data_10150_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10150
_Entry.PDB_ID 2ELK
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 3 3 SER CA C 3 58.574 60.849 -2.275 1
1 2 . 1 1 1 A 3 3 SER HA H 3 4.477 4.333 0.144 1
1 3 . 1 1 1 A 3 3 SER CB C 3 63.686 63.492 0.194 1
1 5 . 1 1 1 A 3 3 SER C C 3 175.067 175.134 -0.067 1
1 6 . 1 1 1 A 4 4 GLY N N 4 111.014 109.673 1.341 1
1 7 . 1 1 1 A 4 4 GLY H H 4 8.466 8.056 0.410 1
1 8 . 1 1 1 A 4 4 GLY CA C 4 45.338 46.739 -1.401 1
1 9 . 1 1 1 A 4 4 GLY HA2 H 4 4.006 3.891 0.115 1
1 10 . 1 1 1 A 4 4 GLY C C 4 174.344 174.971 -0.627 1
1 11 . 1 1 1 A 5 5 SER N N 5 115.891 115.293 0.598 1
1 12 . 1 1 1 A 5 5 SER H H 5 8.294 8.074 0.220 1
1 13 . 1 1 1 A 5 5 SER CA C 5 58.277 59.204 -0.927 1
1 14 . 1 1 1 A 5 5 SER HA H 5 4.499 4.357 0.142 1
1 15 . 1 1 1 A 5 5 SER CB C 5 63.850 64.352 -0.502 1
1 17 . 1 1 1 A 5 5 SER C C 5 174.840 173.590 1.250 1
1 18 . 1 1 1 A 6 6 SER N N 6 117.946 115.393 2.553 1
1 19 . 1 1 1 A 6 6 SER H H 6 8.479 8.675 -0.196 1
1 20 . 1 1 1 A 6 6 SER CA C 6 58.632 56.798 1.834 1
1 21 . 1 1 1 A 6 6 SER HA H 6 4.427 5.193 -0.766 1
1 22 . 1 1 1 A 6 6 SER CB C 6 63.855 66.231 -2.376 1
1 24 . 1 1 1 A 6 6 SER C C 6 174.852 172.970 1.882 1
1 25 . 1 1 1 A 7 7 GLY N N 7 110.490 108.333 2.157 1
1 26 . 1 1 1 A 7 7 GLY H H 7 8.354 8.264 0.090 1
1 27 . 1 1 1 A 7 7 GLY CA C 7 45.231 45.494 -0.263 1
1 28 . 1 1 1 A 7 7 GLY HA2 H 7 3.836 3.995 -0.159 1
1 29 . 1 1 1 A 7 7 GLY HA3 H 7 3.898 4.192 -0.294 1
1 30 . 1 1 1 A 7 7 GLY C C 7 173.829 172.863 0.966 1
1 31 . 1 1 1 A 8 8 PHE N N 8 119.865 120.755 -0.890 1
1 32 . 1 1 1 A 8 8 PHE H H 8 8.094 7.808 0.286 1
1 33 . 1 1 1 A 8 8 PHE CA C 8 57.501 56.243 1.258 1
1 34 . 1 1 1 A 8 8 PHE HA H 8 4.666 4.959 -0.293 1
1 35 . 1 1 1 A 8 8 PHE CB C 8 39.743 39.455 0.288 1
1 48 . 1 1 1 A 8 8 PHE C C 8 175.564 174.396 1.168 1
1 49 . 1 1 1 A 9 9 ASP N N 9 122.084 125.851 -3.767 1
1 50 . 1 1 1 A 9 9 ASP H H 9 8.516 9.193 -0.677 1
1 51 . 1 1 1 A 9 9 ASP CA C 9 54.372 53.297 1.075 1
1 52 . 1 1 1 A 9 9 ASP HA H 9 4.599 5.174 -0.575 1
1 53 . 1 1 1 A 9 9 ASP CB C 9 41.429 43.193 -1.764 1
1 56 . 1 1 1 A 9 9 ASP C C 9 176.168 175.029 1.139 1
1 57 . 1 1 1 A 10 10 GLU N N 10 121.747 125.665 -3.918 1
1 58 . 1 1 1 A 10 10 GLU H H 10 8.489 9.111 -0.622 1
1 59 . 1 1 1 A 10 10 GLU CA C 10 56.705 55.508 1.197 1
1 60 . 1 1 1 A 10 10 GLU HA H 10 4.359 4.637 -0.278 1
1 61 . 1 1 1 A 10 10 GLU CB C 10 30.039 28.663 1.376 1
1 67 . 1 1 1 A 10 10 GLU C C 10 176.584 175.318 1.266 1
1 68 . 1 1 1 A 11 11 ASN N N 11 119.867 121.391 -1.524 1
1 69 . 1 1 1 A 11 11 ASN H H 11 8.479 7.728 0.751 1
1 70 . 1 1 1 A 11 11 ASN CA C 11 53.332 52.464 0.868 1
1 71 . 1 1 1 A 11 11 ASN HA H 11 4.791 5.369 -0.578 1
1 72 . 1 1 1 A 11 11 ASN CB C 11 38.906 41.892 -2.986 1
1 78 . 1 1 1 A 11 11 ASN C C 11 175.284 174.345 0.939 1
1 79 . 1 1 1 A 12 12 TRP N N 12 124.246 127.264 -3.018 1
1 80 . 1 1 1 A 12 12 TRP H H 12 8.819 8.898 -0.079 1
1 81 . 1 1 1 A 12 12 TRP CA C 12 57.447 57.025 0.422 1
1 82 . 1 1 1 A 12 12 TRP HA H 12 4.338 4.896 -0.558 1
1 83 . 1 1 1 A 12 12 TRP CB C 12 29.096 30.288 -1.192 1
1 98 . 1 1 1 A 12 12 TRP C C 12 177.403 176.413 0.990 1
1 99 . 1 1 1 A 13 13 GLY N N 13 112.578 108.383 4.195 1
1 100 . 1 1 1 A 13 13 GLY H H 13 9.662 8.831 0.831 1
1 101 . 1 1 1 A 13 13 GLY CA C 13 44.383 44.219 0.164 1
1 102 . 1 1 1 A 13 13 GLY HA2 H 13 4.315 4.485 -0.170 1
1 103 . 1 1 1 A 13 13 GLY HA3 H 13 3.989 4.522 -0.533 1
1 104 . 1 1 1 A 13 13 GLY C C 13 174.443 175.043 -0.600 1
1 105 . 1 1 1 A 14 14 ALA N N 14 124.409 125.265 -0.856 1
1 106 . 1 1 1 A 14 14 ALA H H 14 8.805 9.311 -0.506 1
1 107 . 1 1 1 A 14 14 ALA CA C 14 55.635 55.028 0.607 1
1 108 . 1 1 1 A 14 14 ALA HA H 14 4.225 4.082 0.143 1
1 109 . 1 1 1 A 14 14 ALA CB C 14 18.565 18.407 0.158 1
1 113 . 1 1 1 A 14 14 ALA C C 14 180.546 179.597 0.949 1
1 114 . 1 1 1 A 15 15 ASP N N 15 115.685 118.480 -2.795 1
1 115 . 1 1 1 A 15 15 ASP H H 15 8.825 8.167 0.658 1
1 116 . 1 1 1 A 15 15 ASP CA C 15 56.775 57.367 -0.592 1
1 117 . 1 1 1 A 15 15 ASP HA H 15 4.416 4.379 0.037 1
1 118 . 1 1 1 A 15 15 ASP CB C 15 39.188 40.398 -1.210 1
1 121 . 1 1 1 A 15 15 ASP C C 15 178.981 178.910 0.071 1
1 122 . 1 1 1 A 16 16 GLU N N 16 121.445 117.693 3.752 1
1 123 . 1 1 1 A 16 16 GLU H H 16 7.772 8.562 -0.790 1
1 124 . 1 1 1 A 16 16 GLU CA C 16 59.380 58.641 0.739 1
1 125 . 1 1 1 A 16 16 GLU HA H 16 4.203 4.270 -0.067 1
1 126 . 1 1 1 A 16 16 GLU CB C 16 30.556 28.201 2.355 1
1 132 . 1 1 1 A 16 16 GLU C C 16 178.517 178.624 -0.107 1
1 133 . 1 1 1 A 17 17 GLU N N 17 118.709 119.596 -0.887 1
1 134 . 1 1 1 A 17 17 GLU H H 17 8.363 8.671 -0.308 1
1 135 . 1 1 1 A 17 17 GLU CA C 17 59.820 59.300 0.520 1
1 136 . 1 1 1 A 17 17 GLU HA H 17 4.429 4.487 -0.058 1
1 137 . 1 1 1 A 17 17 GLU CB C 17 29.774 29.773 0.001 1
1 143 . 1 1 1 A 17 17 GLU C C 17 179.029 179.121 -0.092 1
1 144 . 1 1 1 A 18 18 LEU N N 18 118.004 122.522 -4.518 1
1 145 . 1 1 1 A 18 18 LEU H H 18 7.650 8.082 -0.432 1
1 146 . 1 1 1 A 18 18 LEU CA C 18 58.128 57.534 0.594 1
1 147 . 1 1 1 A 18 18 LEU HA H 18 4.212 4.228 -0.016 1
1 148 . 1 1 1 A 18 18 LEU CB C 18 41.700 42.293 -0.593 1
1 161 . 1 1 1 A 18 18 LEU C C 18 179.871 178.527 1.344 1
1 162 . 1 1 1 A 19 19 LEU N N 19 119.600 118.542 1.058 1
1 163 . 1 1 1 A 19 19 LEU H H 19 7.783 8.268 -0.485 1
1 164 . 1 1 1 A 19 19 LEU CA C 19 58.106 58.382 -0.276 1
1 165 . 1 1 1 A 19 19 LEU HA H 19 4.390 4.236 0.154 1
1 166 . 1 1 1 A 19 19 LEU CB C 19 43.169 41.612 1.557 1
1 179 . 1 1 1 A 19 19 LEU C C 19 178.634 178.928 -0.294 1
1 180 . 1 1 1 A 20 20 LEU N N 20 120.243 120.166 0.077 1
1 181 . 1 1 1 A 20 20 LEU H H 20 8.364 8.298 0.066 1
1 182 . 1 1 1 A 20 20 LEU CA C 20 58.390 58.769 -0.379 1
1 183 . 1 1 1 A 20 20 LEU HA H 20 4.083 4.187 -0.104 1
1 184 . 1 1 1 A 20 20 LEU CB C 20 42.005 41.824 0.181 1
1 197 . 1 1 1 A 20 20 LEU C C 20 178.135 178.770 -0.635 1
1 198 . 1 1 1 A 21 21 ILE N N 21 119.379 119.930 -0.551 1
1 199 . 1 1 1 A 21 21 ILE H H 21 8.133 8.320 -0.187 1
1 200 . 1 1 1 A 21 21 ILE CA C 21 64.962 65.625 -0.663 1
1 201 . 1 1 1 A 21 21 ILE HA H 21 3.685 3.596 0.089 1
1 202 . 1 1 1 A 21 21 ILE CB C 21 37.895 37.906 -0.011 1
1 215 . 1 1 1 A 21 21 ILE C C 21 178.423 177.928 0.495 1
1 216 . 1 1 1 A 22 22 ASP N N 22 120.464 120.944 -0.480 1
1 217 . 1 1 1 A 22 22 ASP H H 22 8.203 8.117 0.086 1
1 218 . 1 1 1 A 22 22 ASP CA C 22 57.332 57.750 -0.418 1
1 219 . 1 1 1 A 22 22 ASP HA H 22 4.400 4.286 0.114 1
1 220 . 1 1 1 A 22 22 ASP CB C 22 41.023 41.170 -0.147 1
1 223 . 1 1 1 A 22 22 ASP C C 22 179.117 178.123 0.994 1
1 224 . 1 1 1 A 23 23 ALA N N 23 123.634 120.585 3.049 1
1 225 . 1 1 1 A 23 23 ALA H H 23 8.819 7.977 0.842 1
1 226 . 1 1 1 A 23 23 ALA CA C 23 55.058 54.772 0.286 1
1 227 . 1 1 1 A 23 23 ALA HA H 23 3.050 3.696 -0.646 1
1 228 . 1 1 1 A 23 23 ALA CB C 23 20.405 18.369 2.036 1
1 232 . 1 1 1 A 23 23 ALA C C 23 179.042 179.545 -0.503 1
1 233 . 1 1 1 A 24 24 CYS N N 24 115.941 116.229 -0.288 1
1 234 . 1 1 1 A 24 24 CYS H H 24 8.227 8.307 -0.080 1
1 235 . 1 1 1 A 24 24 CYS CA C 24 63.657 62.937 0.720 1
1 236 . 1 1 1 A 24 24 CYS HA H 24 3.524 3.777 -0.253 1
1 237 . 1 1 1 A 24 24 CYS CB C 24 27.165 26.947 0.218 1
1 240 . 1 1 1 A 24 24 CYS C C 24 177.855 176.423 1.432 1
1 241 . 1 1 1 A 25 25 GLU N N 25 118.624 118.783 -0.159 1
1 242 . 1 1 1 A 25 25 GLU H H 25 8.262 7.753 0.509 1
1 243 . 1 1 1 A 25 25 GLU CA C 25 58.829 58.105 0.724 1
1 244 . 1 1 1 A 25 25 GLU HA H 25 3.974 4.191 -0.217 1
1 245 . 1 1 1 A 25 25 GLU CB C 25 29.896 30.049 -0.153 1
1 251 . 1 1 1 A 25 25 GLU C C 25 178.082 178.892 -0.810 1
1 252 . 1 1 1 A 26 26 THR N N 26 113.708 117.649 -3.941 1
1 253 . 1 1 1 A 26 26 THR H H 26 8.046 8.060 -0.014 1
1 254 . 1 1 1 A 26 26 THR CA C 26 65.448 66.037 -0.589 1
1 255 . 1 1 1 A 26 26 THR HA H 26 4.003 3.924 0.079 1
1 256 . 1 1 1 A 26 26 THR CB C 26 69.475 68.731 0.744 1
1 262 . 1 1 1 A 26 26 THR C C 26 175.986 176.199 -0.213 1
1 263 . 1 1 1 A 27 27 LEU N N 27 119.789 118.713 1.076 1
1 264 . 1 1 1 A 27 27 LEU H H 27 8.609 7.705 0.904 1
1 265 . 1 1 1 A 27 27 LEU CA C 27 55.566 56.538 -0.972 1
1 266 . 1 1 1 A 27 27 LEU HA H 27 4.238 3.923 0.315 1
1 267 . 1 1 1 A 27 27 LEU CB C 27 42.130 42.510 -0.380 1
1 280 . 1 1 1 A 27 27 LEU C C 27 179.075 177.410 1.665 1
1 281 . 1 1 1 A 28 28 GLY N N 28 107.009 105.888 1.121 1
1 282 . 1 1 1 A 28 28 GLY H H 28 6.965 7.840 -0.875 1
1 283 . 1 1 1 A 28 28 GLY CA C 28 44.545 44.339 0.206 1
1 284 . 1 1 1 A 28 28 GLY HA2 H 28 4.057 3.882 0.175 1
1 285 . 1 1 1 A 28 28 GLY HA3 H 28 3.664 3.911 -0.247 1
1 286 . 1 1 1 A 28 28 GLY C C 28 173.046 174.807 -1.761 1
1 287 . 1 1 1 A 29 29 LEU N N 29 117.364 121.714 -4.350 1
1 288 . 1 1 1 A 29 29 LEU H H 29 7.960 8.505 -0.545 1
1 289 . 1 1 1 A 29 29 LEU CA C 29 54.626 57.140 -2.514 1
1 290 . 1 1 1 A 29 29 LEU HA H 29 3.487 3.214 0.273 1
1 291 . 1 1 1 A 29 29 LEU CB C 29 40.949 40.889 0.060 1
1 304 . 1 1 1 A 29 29 LEU C C 29 177.460 178.861 -1.401 1
1 305 . 1 1 1 A 30 30 GLY N N 30 106.469 106.476 -0.007 1
1 306 . 1 1 1 A 30 30 GLY H H 30 7.503 7.911 -0.408 1
1 307 . 1 1 1 A 30 30 GLY CA C 30 46.003 46.991 -0.988 1
1 308 . 1 1 1 A 30 30 GLY HA2 H 30 3.781 3.824 -0.043 1
1 309 . 1 1 1 A 30 30 GLY HA3 H 30 3.638 3.830 -0.192 1
1 310 . 1 1 1 A 30 30 GLY C C 30 174.269 174.449 -0.180 1
1 311 . 1 1 1 A 31 31 ASN N N 31 117.981 117.218 0.763 1
1 312 . 1 1 1 A 31 31 ASN H H 31 7.643 7.718 -0.075 1
1 313 . 1 1 1 A 31 31 ASN CA C 31 52.135 51.856 0.279 1
1 314 . 1 1 1 A 31 31 ASN HA H 31 4.899 4.938 -0.039 1
1 315 . 1 1 1 A 31 31 ASN CB C 31 38.492 38.751 -0.259 1
1 321 . 1 1 1 A 31 31 ASN C C 31 176.436 175.270 1.166 1
1 322 . 1 1 1 A 32 32 TRP N N 32 124.932 123.925 1.007 1
1 323 . 1 1 1 A 32 32 TRP H H 32 8.638 8.256 0.382 1
1 324 . 1 1 1 A 32 32 TRP CA C 32 60.578 59.860 0.718 1
1 325 . 1 1 1 A 32 32 TRP HA H 32 4.257 4.323 -0.066 1
1 326 . 1 1 1 A 32 32 TRP CB C 32 29.185 29.251 -0.066 1
1 341 . 1 1 1 A 32 32 TRP C C 32 177.477 178.594 -1.117 1
1 342 . 1 1 1 A 33 33 ALA N N 33 123.791 122.102 1.689 1
1 343 . 1 1 1 A 33 33 ALA H H 33 8.522 8.314 0.208 1
1 344 . 1 1 1 A 33 33 ALA CA C 33 55.609 55.383 0.226 1
1 345 . 1 1 1 A 33 33 ALA HA H 33 4.245 4.147 0.098 1
1 346 . 1 1 1 A 33 33 ALA CB C 33 17.931 18.600 -0.669 1
1 350 . 1 1 1 A 33 33 ALA C C 33 179.868 179.391 0.477 1
1 351 . 1 1 1 A 34 34 ASP N N 34 118.553 117.895 0.658 1
1 352 . 1 1 1 A 34 34 ASP H H 34 7.463 7.760 -0.297 1
1 353 . 1 1 1 A 34 34 ASP CA C 34 56.937 57.169 -0.232 1
1 354 . 1 1 1 A 34 34 ASP HA H 34 4.378 4.400 -0.022 1
1 355 . 1 1 1 A 34 34 ASP CB C 34 40.089 40.927 -0.838 1
1 358 . 1 1 1 A 34 34 ASP C C 34 179.385 178.487 0.898 1
1 359 . 1 1 1 A 35 35 ILE N N 35 121.343 119.213 2.130 1
1 360 . 1 1 1 A 35 35 ILE H H 35 7.308 7.633 -0.325 1
1 361 . 1 1 1 A 35 35 ILE CA C 35 64.900 65.305 -0.405 1
1 362 . 1 1 1 A 35 35 ILE HA H 35 3.528 4.047 -0.519 1
1 363 . 1 1 1 A 35 35 ILE CB C 35 37.842 37.344 0.498 1
1 376 . 1 1 1 A 35 35 ILE C C 35 176.832 178.278 -1.446 1
1 377 . 1 1 1 A 36 36 ALA N N 36 122.328 122.311 0.017 1
1 378 . 1 1 1 A 36 36 ALA H H 36 8.446 8.830 -0.384 1
1 379 . 1 1 1 A 36 36 ALA CA C 36 55.724 55.980 -0.256 1
1 380 . 1 1 1 A 36 36 ALA HA H 36 4.281 4.148 0.133 1
1 381 . 1 1 1 A 36 36 ALA CB C 36 17.153 18.169 -1.016 1
1 385 . 1 1 1 A 36 36 ALA C C 36 181.002 178.997 2.005 1
1 386 . 1 1 1 A 37 37 ASP N N 37 119.092 118.539 0.553 1
1 387 . 1 1 1 A 37 37 ASP H H 37 7.997 7.743 0.254 1
1 388 . 1 1 1 A 37 37 ASP CA C 37 57.105 57.047 0.058 1
1 389 . 1 1 1 A 37 37 ASP HA H 37 4.392 4.440 -0.048 1
1 390 . 1 1 1 A 37 37 ASP CB C 37 40.808 41.102 -0.294 1
1 393 . 1 1 1 A 37 37 ASP C C 37 177.292 178.005 -0.713 1
1 394 . 1 1 1 A 38 38 TYR N N 38 121.825 121.002 0.823 1
1 395 . 1 1 1 A 38 38 TYR H H 38 7.648 7.993 -0.345 1
1 396 . 1 1 1 A 38 38 TYR CA C 38 60.838 60.694 0.144 1
1 397 . 1 1 1 A 38 38 TYR HA H 38 4.046 4.187 -0.141 1
1 398 . 1 1 1 A 38 38 TYR CB C 38 39.411 38.804 0.607 1
1 409 . 1 1 1 A 38 38 TYR C C 38 177.306 177.273 0.033 1
1 410 . 1 1 1 A 39 39 VAL N N 39 118.437 118.963 -0.526 1
1 411 . 1 1 1 A 39 39 VAL H H 39 8.306 8.515 -0.209 1
1 412 . 1 1 1 A 39 39 VAL CA C 39 65.398 65.392 0.006 1
1 413 . 1 1 1 A 39 39 VAL HA H 39 3.707 3.952 -0.245 1
1 414 . 1 1 1 A 39 39 VAL CB C 39 32.833 32.128 0.705 1
1 424 . 1 1 1 A 39 39 VAL C C 39 177.244 177.051 0.193 1
1 425 . 1 1 1 A 40 40 GLY N N 40 105.738 109.283 -3.545 1
1 426 . 1 1 1 A 40 40 GLY H H 40 8.117 8.128 -0.011 1
1 427 . 1 1 1 A 40 40 GLY CA C 40 45.890 46.524 -0.634 1
1 428 . 1 1 1 A 40 40 GLY HA2 H 40 3.896 3.884 0.012 1
1 429 . 1 1 1 A 40 40 GLY HA3 H 40 3.694 3.900 -0.206 1
1 430 . 1 1 1 A 40 40 GLY C C 40 173.930 175.212 -1.282 1
1 431 . 1 1 1 A 41 41 ASN N N 41 116.713 120.179 -3.466 1
1 432 . 1 1 1 A 41 41 ASN H H 41 8.620 9.042 -0.422 1
1 433 . 1 1 1 A 41 41 ASN CA C 41 54.192 54.480 -0.288 1
1 434 . 1 1 1 A 41 41 ASN HA H 41 4.253 4.298 -0.045 1
1 435 . 1 1 1 A 41 41 ASN CB C 41 38.370 36.794 1.576 1
1 441 . 1 1 1 A 41 41 ASN C C 41 173.935 174.536 -0.601 1
1 442 . 1 1 1 A 42 42 ALA N N 42 115.074 113.268 1.806 1
1 443 . 1 1 1 A 42 42 ALA H H 42 8.425 8.226 0.199 1
1 444 . 1 1 1 A 42 42 ALA CA C 42 52.968 53.412 -0.444 1
1 445 . 1 1 1 A 42 42 ALA HA H 42 3.876 3.849 0.027 1
1 446 . 1 1 1 A 42 42 ALA CB C 42 17.871 17.608 0.263 1
1 450 . 1 1 1 A 42 42 ALA C C 42 177.531 176.068 1.463 1
1 451 . 1 1 1 A 43 43 ARG N N 43 119.427 116.151 3.276 1
1 452 . 1 1 1 A 43 43 ARG H H 43 7.773 7.458 0.315 1
1 453 . 1 1 1 A 43 43 ARG CA C 43 54.411 54.027 0.384 1
1 454 . 1 1 1 A 43 43 ARG HA H 43 4.447 4.961 -0.514 1
1 455 . 1 1 1 A 43 43 ARG CB C 43 30.954 33.825 -2.871 1
1 466 . 1 1 1 A 43 43 ARG C C 43 177.734 174.326 3.408 1
1 467 . 1 1 1 A 44 44 THR N N 44 113.165 114.018 -0.853 1
1 468 . 1 1 1 A 44 44 THR H H 44 8.918 8.553 0.365 1
1 469 . 1 1 1 A 44 44 THR CA C 44 60.337 60.623 -0.286 1
1 470 . 1 1 1 A 44 44 THR HA H 44 4.625 4.955 -0.330 1
1 471 . 1 1 1 A 44 44 THR CB C 44 72.316 70.180 2.136 1
1 477 . 1 1 1 A 44 44 THR C C 44 177.134 174.533 2.601 1
1 478 . 1 1 1 A 45 45 LYS N N 45 121.142 124.648 -3.506 1
1 479 . 1 1 1 A 45 45 LYS H H 45 9.432 8.833 0.599 1
1 480 . 1 1 1 A 45 45 LYS CA C 45 59.938 59.267 0.671 1
1 481 . 1 1 1 A 45 45 LYS HA H 45 4.137 4.123 0.014 1
1 482 . 1 1 1 A 45 45 LYS CB C 45 32.188 32.009 0.179 1
1 494 . 1 1 1 A 45 45 LYS C C 45 177.330 177.971 -0.641 1
1 495 . 1 1 1 A 46 46 GLU N N 46 120.446 119.765 0.681 1
1 496 . 1 1 1 A 46 46 GLU H H 46 8.577 8.757 -0.180 1
1 497 . 1 1 1 A 46 46 GLU CA C 46 61.051 59.402 1.649 1
1 498 . 1 1 1 A 46 46 GLU HA H 46 3.716 3.958 -0.242 1
1 499 . 1 1 1 A 46 46 GLU CB C 46 28.270 29.192 -0.922 1
1 505 . 1 1 1 A 46 46 GLU C C 46 178.200 178.909 -0.709 1
1 506 . 1 1 1 A 47 47 GLU N N 47 119.411 119.222 0.189 1
1 507 . 1 1 1 A 47 47 GLU H H 47 7.874 8.339 -0.465 1
1 508 . 1 1 1 A 47 47 GLU CA C 47 59.209 58.958 0.251 1
1 509 . 1 1 1 A 47 47 GLU HA H 47 4.139 4.256 -0.117 1
1 510 . 1 1 1 A 47 47 GLU CB C 47 30.970 30.285 0.685 1
1 516 . 1 1 1 A 47 47 GLU C C 47 180.380 179.108 1.272 1
1 517 . 1 1 1 A 48 48 CYS N N 48 117.778 119.013 -1.235 1
1 518 . 1 1 1 A 48 48 CYS H H 48 8.354 8.583 -0.229 1
1 519 . 1 1 1 A 48 48 CYS CA C 48 65.002 63.346 1.656 1
1 520 . 1 1 1 A 48 48 CYS HA H 48 4.331 4.395 -0.064 1
1 521 . 1 1 1 A 48 48 CYS CB C 48 27.262 27.312 -0.050 1
1 524 . 1 1 1 A 48 48 CYS C C 48 174.443 177.183 -2.740 1
1 525 . 1 1 1 A 49 49 ARG N N 49 121.012 121.097 -0.085 1
1 526 . 1 1 1 A 49 49 ARG H H 49 7.364 7.693 -0.329 1
1 527 . 1 1 1 A 49 49 ARG CA C 49 58.352 58.387 -0.035 1
1 528 . 1 1 1 A 49 49 ARG HA H 49 1.940 1.587 0.353 1
1 529 . 1 1 1 A 49 49 ARG CB C 49 29.691 29.273 0.418 1
1 538 . 1 1 1 A 49 49 ARG C C 49 177.306 178.046 -0.740 1
1 539 . 1 1 1 A 50 50 ASP N N 50 116.931 118.209 -1.278 1
1 540 . 1 1 1 A 50 50 ASP H H 50 8.183 8.077 0.106 1
1 541 . 1 1 1 A 50 50 ASP CA C 50 57.267 57.208 0.059 1
1 542 . 1 1 1 A 50 50 ASP HA H 50 4.170 4.184 -0.014 1
1 543 . 1 1 1 A 50 50 ASP CB C 50 40.569 40.318 0.251 1
1 546 . 1 1 1 A 50 50 ASP C C 50 178.695 178.664 0.031 1
1 547 . 1 1 1 A 51 51 HIS N N 51 116.759 119.894 -3.135 1
1 548 . 1 1 1 A 51 51 HIS H H 51 8.276 8.554 -0.278 1
1 549 . 1 1 1 A 51 51 HIS CA C 51 59.374 59.146 0.228 1
1 550 . 1 1 1 A 51 51 HIS HA H 51 3.986 4.097 -0.111 1
1 551 . 1 1 1 A 51 51 HIS CB C 51 28.534 29.735 -1.201 1
1 558 . 1 1 1 A 51 51 HIS C C 51 177.514 176.755 0.759 1
1 559 . 1 1 1 A 52 52 TYR N N 52 121.013 119.945 1.068 1
1 560 . 1 1 1 A 52 52 TYR H H 52 8.364 7.472 0.892 1
1 561 . 1 1 1 A 52 52 TYR CA C 52 62.363 60.820 1.543 1
1 562 . 1 1 1 A 52 52 TYR HA H 52 3.951 4.024 -0.073 1
1 563 . 1 1 1 A 52 52 TYR CB C 52 39.610 38.705 0.905 1
1 574 . 1 1 1 A 52 52 TYR C C 52 177.492 177.262 0.230 1
1 575 . 1 1 1 A 53 53 LEU N N 53 117.616 119.675 -2.059 1
1 576 . 1 1 1 A 53 53 LEU H H 53 8.354 7.649 0.705 1
1 577 . 1 1 1 A 53 53 LEU CA C 53 57.261 56.459 0.802 1
1 578 . 1 1 1 A 53 53 LEU HA H 53 3.985 4.291 -0.306 1
1 579 . 1 1 1 A 53 53 LEU CB C 53 41.403 41.955 -0.552 1
1 592 . 1 1 1 A 53 53 LEU C C 53 178.921 177.752 1.169 1
1 593 . 1 1 1 A 54 54 LYS N N 54 116.037 116.795 -0.758 1
1 594 . 1 1 1 A 54 54 LYS H H 54 7.468 8.065 -0.597 1
1 595 . 1 1 1 A 54 54 LYS CA C 54 57.859 57.479 0.380 1
1 596 . 1 1 1 A 54 54 LYS HA H 54 4.006 4.386 -0.380 1
1 597 . 1 1 1 A 54 54 LYS CB C 54 32.668 33.465 -0.797 1
1 609 . 1 1 1 A 54 54 LYS C C 54 177.318 178.190 -0.872 1
1 610 . 1 1 1 A 55 55 THR N N 55 111.885 116.209 -4.324 1
1 611 . 1 1 1 A 55 55 THR H H 55 7.259 7.713 -0.454 1
1 612 . 1 1 1 A 55 55 THR CA C 55 63.882 65.739 -1.857 1
1 613 . 1 1 1 A 55 55 THR HA H 55 3.864 3.947 -0.083 1
1 614 . 1 1 1 A 55 55 THR CB C 55 69.759 69.171 0.588 1
1 620 . 1 1 1 A 55 55 THR C C 55 174.423 175.776 -1.353 1
1 621 . 1 1 1 A 56 56 TYR N N 56 120.015 119.188 0.827 1
1 622 . 1 1 1 A 56 56 TYR H H 56 7.767 7.884 -0.117 1
1 623 . 1 1 1 A 56 56 TYR CA C 56 58.699 60.498 -1.799 1
1 624 . 1 1 1 A 56 56 TYR HA H 56 4.388 4.145 0.243 1
1 625 . 1 1 1 A 56 56 TYR CB C 56 38.568 38.246 0.322 1
1 636 . 1 1 1 A 56 56 TYR C C 56 175.031 178.132 -3.101 1
1 637 . 1 1 1 A 57 57 ILE N N 57 121.611 119.894 1.717 1
1 638 . 1 1 1 A 57 57 ILE H H 57 7.376 7.928 -0.552 1
1 639 . 1 1 1 A 57 57 ILE CA C 57 60.560 64.979 -4.419 1
1 640 . 1 1 1 A 57 57 ILE HA H 57 4.155 3.662 0.493 1
1 641 . 1 1 1 A 57 57 ILE CB C 57 38.585 37.799 0.786 1
1 654 . 1 1 1 A 57 57 ILE C C 57 175.122 178.123 -3.001 1
1 1 . 2 1 1 A 3 3 SER CA C 3 58.574 57.145 1.429 1
1 2 . 2 1 1 A 3 3 SER HA H 3 4.477 4.951 -0.474 1
1 3 . 2 1 1 A 3 3 SER CB C 3 63.686 64.823 -1.137 1
1 5 . 2 1 1 A 3 3 SER C C 3 175.067 174.278 0.789 1
1 6 . 2 1 1 A 4 4 GLY N N 4 111.014 113.152 -2.138 1
1 7 . 2 1 1 A 4 4 GLY H H 4 8.466 8.580 -0.114 1
1 8 . 2 1 1 A 4 4 GLY CA C 4 45.338 45.498 -0.160 1
1 9 . 2 1 1 A 4 4 GLY HA2 H 4 4.006 3.968 0.038 1
1 10 . 2 1 1 A 4 4 GLY C C 4 174.344 173.195 1.149 1
1 11 . 2 1 1 A 5 5 SER N N 5 115.891 116.897 -1.006 1
1 12 . 2 1 1 A 5 5 SER H H 5 8.294 8.694 -0.400 1
1 13 . 2 1 1 A 5 5 SER CA C 5 58.277 57.523 0.754 1
1 14 . 2 1 1 A 5 5 SER HA H 5 4.499 5.044 -0.545 1
1 15 . 2 1 1 A 5 5 SER CB C 5 63.850 65.461 -1.611 1
1 17 . 2 1 1 A 5 5 SER C C 5 174.840 172.465 2.375 1
1 18 . 2 1 1 A 6 6 SER N N 6 117.946 121.683 -3.737 1
1 19 . 2 1 1 A 6 6 SER H H 6 8.479 8.657 -0.178 1
1 20 . 2 1 1 A 6 6 SER CA C 6 58.632 56.294 2.338 1
1 21 . 2 1 1 A 6 6 SER HA H 6 4.427 5.346 -0.919 1
1 22 . 2 1 1 A 6 6 SER CB C 6 63.855 65.690 -1.835 1
1 24 . 2 1 1 A 6 6 SER C C 6 174.852 173.258 1.594 1
1 25 . 2 1 1 A 7 7 GLY N N 7 110.490 113.727 -3.237 1
1 26 . 2 1 1 A 7 7 GLY H H 7 8.354 8.334 0.020 1
1 27 . 2 1 1 A 7 7 GLY CA C 7 45.231 45.894 -0.663 1
1 28 . 2 1 1 A 7 7 GLY HA2 H 7 3.836 3.905 -0.069 1
1 29 . 2 1 1 A 7 7 GLY HA3 H 7 3.898 4.141 -0.243 1
1 30 . 2 1 1 A 7 7 GLY C C 7 173.829 173.965 -0.136 1
1 31 . 2 1 1 A 8 8 PHE N N 8 119.865 116.986 2.879 1
1 32 . 2 1 1 A 8 8 PHE H H 8 8.094 8.170 -0.076 1
1 33 . 2 1 1 A 8 8 PHE CA C 8 57.501 58.910 -1.409 1
1 34 . 2 1 1 A 8 8 PHE HA H 8 4.666 4.562 0.104 1
1 35 . 2 1 1 A 8 8 PHE CB C 8 39.743 40.571 -0.828 1
1 48 . 2 1 1 A 8 8 PHE C C 8 175.564 175.560 0.004 1
1 49 . 2 1 1 A 9 9 ASP N N 9 122.084 118.497 3.587 1
1 50 . 2 1 1 A 9 9 ASP H H 9 8.516 8.080 0.436 1
1 51 . 2 1 1 A 9 9 ASP CA C 9 54.372 53.020 1.352 1
1 52 . 2 1 1 A 9 9 ASP HA H 9 4.599 4.944 -0.345 1
1 53 . 2 1 1 A 9 9 ASP CB C 9 41.429 43.275 -1.846 1
1 56 . 2 1 1 A 9 9 ASP C C 9 176.168 176.752 -0.584 1
1 57 . 2 1 1 A 10 10 GLU N N 10 121.747 122.100 -0.353 1
1 58 . 2 1 1 A 10 10 GLU H H 10 8.489 9.006 -0.517 1
1 59 . 2 1 1 A 10 10 GLU CA C 10 56.705 57.400 -0.695 1
1 60 . 2 1 1 A 10 10 GLU HA H 10 4.359 4.211 0.148 1
1 61 . 2 1 1 A 10 10 GLU CB C 10 30.039 27.586 2.453 1
1 67 . 2 1 1 A 10 10 GLU C C 10 176.584 176.433 0.151 1
1 68 . 2 1 1 A 11 11 ASN N N 11 119.867 117.167 2.700 1
1 69 . 2 1 1 A 11 11 ASN H H 11 8.479 8.242 0.237 1
1 70 . 2 1 1 A 11 11 ASN CA C 11 53.332 52.047 1.285 1
1 71 . 2 1 1 A 11 11 ASN HA H 11 4.791 5.282 -0.491 1
1 72 . 2 1 1 A 11 11 ASN CB C 11 38.906 39.426 -0.520 1
1 78 . 2 1 1 A 11 11 ASN C C 11 175.284 174.233 1.051 1
1 79 . 2 1 1 A 12 12 TRP N N 12 124.246 126.110 -1.864 1
1 80 . 2 1 1 A 12 12 TRP H H 12 8.819 9.039 -0.220 1
1 81 . 2 1 1 A 12 12 TRP CA C 12 57.447 57.476 -0.029 1
1 82 . 2 1 1 A 12 12 TRP HA H 12 4.338 4.836 -0.498 1
1 83 . 2 1 1 A 12 12 TRP CB C 12 29.096 30.415 -1.319 1
1 98 . 2 1 1 A 12 12 TRP C C 12 177.403 177.076 0.327 1
1 99 . 2 1 1 A 13 13 GLY N N 13 112.578 110.164 2.414 1
1 100 . 2 1 1 A 13 13 GLY H H 13 9.662 8.517 1.145 1
1 101 . 2 1 1 A 13 13 GLY CA C 13 44.383 45.066 -0.683 1
1 102 . 2 1 1 A 13 13 GLY HA2 H 13 4.315 4.115 0.200 1
1 103 . 2 1 1 A 13 13 GLY HA3 H 13 3.989 4.152 -0.163 1
1 104 . 2 1 1 A 13 13 GLY C C 13 174.443 174.947 -0.504 1
1 105 . 2 1 1 A 14 14 ALA N N 14 124.409 124.597 -0.188 1
1 106 . 2 1 1 A 14 14 ALA H H 14 8.805 9.091 -0.286 1
1 107 . 2 1 1 A 14 14 ALA CA C 14 55.635 55.034 0.601 1
1 108 . 2 1 1 A 14 14 ALA HA H 14 4.225 4.067 0.158 1
1 109 . 2 1 1 A 14 14 ALA CB C 14 18.565 18.276 0.289 1
1 113 . 2 1 1 A 14 14 ALA C C 14 180.546 179.619 0.927 1
1 114 . 2 1 1 A 15 15 ASP N N 15 115.685 118.219 -2.534 1
1 115 . 2 1 1 A 15 15 ASP H H 15 8.825 8.092 0.733 1
1 116 . 2 1 1 A 15 15 ASP CA C 15 56.775 57.375 -0.600 1
1 117 . 2 1 1 A 15 15 ASP HA H 15 4.416 4.406 0.010 1
1 118 . 2 1 1 A 15 15 ASP CB C 15 39.188 40.537 -1.349 1
1 121 . 2 1 1 A 15 15 ASP C C 15 178.981 178.712 0.269 1
1 122 . 2 1 1 A 16 16 GLU N N 16 121.445 117.604 3.841 1
1 123 . 2 1 1 A 16 16 GLU H H 16 7.772 8.492 -0.720 1
1 124 . 2 1 1 A 16 16 GLU CA C 16 59.380 58.605 0.775 1
1 125 . 2 1 1 A 16 16 GLU HA H 16 4.203 4.162 0.041 1
1 126 . 2 1 1 A 16 16 GLU CB C 16 30.556 28.285 2.271 1
1 132 . 2 1 1 A 16 16 GLU C C 16 178.517 178.514 0.003 1
1 133 . 2 1 1 A 17 17 GLU N N 17 118.709 119.580 -0.871 1
1 134 . 2 1 1 A 17 17 GLU H H 17 8.363 8.425 -0.062 1
1 135 . 2 1 1 A 17 17 GLU CA C 17 59.820 59.172 0.648 1
1 136 . 2 1 1 A 17 17 GLU HA H 17 4.429 4.560 -0.131 1
1 137 . 2 1 1 A 17 17 GLU CB C 17 29.774 29.935 -0.161 1
1 143 . 2 1 1 A 17 17 GLU C C 17 179.029 179.264 -0.235 1
1 144 . 2 1 1 A 18 18 LEU N N 18 118.004 122.495 -4.491 1
1 145 . 2 1 1 A 18 18 LEU H H 18 7.650 8.093 -0.443 1
1 146 . 2 1 1 A 18 18 LEU CA C 18 58.128 57.921 0.207 1
1 147 . 2 1 1 A 18 18 LEU HA H 18 4.212 4.209 0.003 1
1 148 . 2 1 1 A 18 18 LEU CB C 18 41.700 41.864 -0.164 1
1 161 . 2 1 1 A 18 18 LEU C C 18 179.871 178.513 1.358 1
1 162 . 2 1 1 A 19 19 LEU N N 19 119.600 119.069 0.531 1
1 163 . 2 1 1 A 19 19 LEU H H 19 7.783 8.280 -0.497 1
1 164 . 2 1 1 A 19 19 LEU CA C 19 58.106 58.346 -0.240 1
1 165 . 2 1 1 A 19 19 LEU HA H 19 4.390 4.067 0.323 1
1 166 . 2 1 1 A 19 19 LEU CB C 19 43.169 41.770 1.399 1
1 179 . 2 1 1 A 19 19 LEU C C 19 178.634 179.291 -0.657 1
1 180 . 2 1 1 A 20 20 LEU N N 20 120.243 119.486 0.757 1
1 181 . 2 1 1 A 20 20 LEU H H 20 8.364 8.321 0.043 1
1 182 . 2 1 1 A 20 20 LEU CA C 20 58.390 58.733 -0.343 1
1 183 . 2 1 1 A 20 20 LEU HA H 20 4.083 4.146 -0.063 1
1 184 . 2 1 1 A 20 20 LEU CB C 20 42.005 42.091 -0.086 1
1 197 . 2 1 1 A 20 20 LEU C C 20 178.135 178.735 -0.600 1
1 198 . 2 1 1 A 21 21 ILE N N 21 119.379 119.873 -0.494 1
1 199 . 2 1 1 A 21 21 ILE H H 21 8.133 8.001 0.132 1
1 200 . 2 1 1 A 21 21 ILE CA C 21 64.962 65.692 -0.730 1
1 201 . 2 1 1 A 21 21 ILE HA H 21 3.685 3.642 0.043 1
1 202 . 2 1 1 A 21 21 ILE CB C 21 37.895 37.926 -0.031 1
1 215 . 2 1 1 A 21 21 ILE C C 21 178.423 177.929 0.494 1
1 216 . 2 1 1 A 22 22 ASP N N 22 120.464 120.859 -0.395 1
1 217 . 2 1 1 A 22 22 ASP H H 22 8.203 8.218 -0.015 1
1 218 . 2 1 1 A 22 22 ASP CA C 22 57.332 57.758 -0.426 1
1 219 . 2 1 1 A 22 22 ASP HA H 22 4.400 4.304 0.096 1
1 220 . 2 1 1 A 22 22 ASP CB C 22 41.023 41.331 -0.308 1
1 223 . 2 1 1 A 22 22 ASP C C 22 179.117 178.056 1.061 1
1 224 . 2 1 1 A 23 23 ALA N N 23 123.634 120.434 3.200 1
1 225 . 2 1 1 A 23 23 ALA H H 23 8.819 8.197 0.622 1
1 226 . 2 1 1 A 23 23 ALA CA C 23 55.058 54.652 0.406 1
1 227 . 2 1 1 A 23 23 ALA HA H 23 3.050 3.607 -0.557 1
1 228 . 2 1 1 A 23 23 ALA CB C 23 20.405 17.945 2.460 1
1 232 . 2 1 1 A 23 23 ALA C C 23 179.042 179.405 -0.363 1
1 233 . 2 1 1 A 24 24 CYS N N 24 115.941 118.021 -2.080 1
1 234 . 2 1 1 A 24 24 CYS H H 24 8.227 8.219 0.008 1
1 235 . 2 1 1 A 24 24 CYS CA C 24 63.657 62.311 1.346 1
1 236 . 2 1 1 A 24 24 CYS HA H 24 3.524 3.636 -0.112 1
1 237 . 2 1 1 A 24 24 CYS CB C 24 27.165 26.711 0.454 1
1 240 . 2 1 1 A 24 24 CYS C C 24 177.855 176.330 1.525 1
1 241 . 2 1 1 A 25 25 GLU N N 25 118.624 119.188 -0.564 1
1 242 . 2 1 1 A 25 25 GLU H H 25 8.262 7.700 0.562 1
1 243 . 2 1 1 A 25 25 GLU CA C 25 58.829 58.091 0.738 1
1 244 . 2 1 1 A 25 25 GLU HA H 25 3.974 4.207 -0.233 1
1 245 . 2 1 1 A 25 25 GLU CB C 25 29.896 29.986 -0.090 1
1 251 . 2 1 1 A 25 25 GLU C C 25 178.082 179.014 -0.932 1
1 252 . 2 1 1 A 26 26 THR N N 26 113.708 117.707 -3.999 1
1 253 . 2 1 1 A 26 26 THR H H 26 8.046 8.229 -0.183 1
1 254 . 2 1 1 A 26 26 THR CA C 26 65.448 66.241 -0.793 1
1 255 . 2 1 1 A 26 26 THR HA H 26 4.003 3.891 0.112 1
1 256 . 2 1 1 A 26 26 THR CB C 26 69.475 68.617 0.858 1
1 262 . 2 1 1 A 26 26 THR C C 26 175.986 176.238 -0.252 1
1 263 . 2 1 1 A 27 27 LEU N N 27 119.789 118.352 1.437 1
1 264 . 2 1 1 A 27 27 LEU H H 27 8.609 7.642 0.967 1
1 265 . 2 1 1 A 27 27 LEU CA C 27 55.566 56.485 -0.919 1
1 266 . 2 1 1 A 27 27 LEU HA H 27 4.238 3.965 0.273 1
1 267 . 2 1 1 A 27 27 LEU CB C 27 42.130 42.511 -0.381 1
1 280 . 2 1 1 A 27 27 LEU C C 27 179.075 177.647 1.428 1
1 281 . 2 1 1 A 28 28 GLY N N 28 107.009 106.042 0.967 1
1 282 . 2 1 1 A 28 28 GLY H H 28 6.965 8.024 -1.059 1
1 283 . 2 1 1 A 28 28 GLY CA C 28 44.545 44.438 0.107 1
1 284 . 2 1 1 A 28 28 GLY HA2 H 28 4.057 3.908 0.149 1
1 285 . 2 1 1 A 28 28 GLY HA3 H 28 3.664 3.937 -0.273 1
1 286 . 2 1 1 A 28 28 GLY C C 28 173.046 174.931 -1.885 1
1 287 . 2 1 1 A 29 29 LEU N N 29 117.364 123.981 -6.617 1
1 288 . 2 1 1 A 29 29 LEU H H 29 7.960 8.087 -0.127 1
1 289 . 2 1 1 A 29 29 LEU CA C 29 54.626 57.149 -2.523 1
1 290 . 2 1 1 A 29 29 LEU HA H 29 3.487 3.134 0.353 1
1 291 . 2 1 1 A 29 29 LEU CB C 29 40.949 41.168 -0.219 1
1 304 . 2 1 1 A 29 29 LEU C C 29 177.460 178.765 -1.305 1
1 305 . 2 1 1 A 30 30 GLY N N 30 106.469 106.542 -0.073 1
1 306 . 2 1 1 A 30 30 GLY H H 30 7.503 7.941 -0.438 1
1 307 . 2 1 1 A 30 30 GLY CA C 30 46.003 47.054 -1.051 1
1 308 . 2 1 1 A 30 30 GLY HA2 H 30 3.781 3.763 0.018 1
1 309 . 2 1 1 A 30 30 GLY HA3 H 30 3.638 3.780 -0.142 1
1 310 . 2 1 1 A 30 30 GLY C C 30 174.269 174.338 -0.069 1
1 311 . 2 1 1 A 31 31 ASN N N 31 117.981 116.733 1.248 1
1 312 . 2 1 1 A 31 31 ASN H H 31 7.643 7.923 -0.280 1
1 313 . 2 1 1 A 31 31 ASN CA C 31 52.135 51.721 0.414 1
1 314 . 2 1 1 A 31 31 ASN HA H 31 4.899 4.924 -0.025 1
1 315 . 2 1 1 A 31 31 ASN CB C 31 38.492 38.794 -0.302 1
1 321 . 2 1 1 A 31 31 ASN C C 31 176.436 175.174 1.262 1
1 322 . 2 1 1 A 32 32 TRP N N 32 124.932 124.425 0.507 1
1 323 . 2 1 1 A 32 32 TRP H H 32 8.638 8.305 0.333 1
1 324 . 2 1 1 A 32 32 TRP CA C 32 60.578 60.320 0.258 1
1 325 . 2 1 1 A 32 32 TRP HA H 32 4.257 4.247 0.010 1
1 326 . 2 1 1 A 32 32 TRP CB C 32 29.185 29.085 0.100 1
1 341 . 2 1 1 A 32 32 TRP C C 32 177.477 178.722 -1.245 1
1 342 . 2 1 1 A 33 33 ALA N N 33 123.791 122.134 1.657 1
1 343 . 2 1 1 A 33 33 ALA H H 33 8.522 8.343 0.179 1
1 344 . 2 1 1 A 33 33 ALA CA C 33 55.609 55.342 0.267 1
1 345 . 2 1 1 A 33 33 ALA HA H 33 4.245 4.122 0.123 1
1 346 . 2 1 1 A 33 33 ALA CB C 33 17.931 18.581 -0.650 1
1 350 . 2 1 1 A 33 33 ALA C C 33 179.868 179.437 0.431 1
1 351 . 2 1 1 A 34 34 ASP N N 34 118.553 117.728 0.825 1
1 352 . 2 1 1 A 34 34 ASP H H 34 7.463 7.830 -0.367 1
1 353 . 2 1 1 A 34 34 ASP CA C 34 56.937 57.062 -0.125 1
1 354 . 2 1 1 A 34 34 ASP HA H 34 4.378 4.609 -0.231 1
1 355 . 2 1 1 A 34 34 ASP CB C 34 40.089 40.846 -0.757 1
1 358 . 2 1 1 A 34 34 ASP C C 34 179.385 178.826 0.559 1
1 359 . 2 1 1 A 35 35 ILE N N 35 121.343 119.673 1.670 1
1 360 . 2 1 1 A 35 35 ILE H H 35 7.308 7.708 -0.400 1
1 361 . 2 1 1 A 35 35 ILE CA C 35 64.900 65.288 -0.388 1
1 362 . 2 1 1 A 35 35 ILE HA H 35 3.528 4.071 -0.543 1
1 363 . 2 1 1 A 35 35 ILE CB C 35 37.842 37.369 0.473 1
1 376 . 2 1 1 A 35 35 ILE C C 35 176.832 178.025 -1.193 1
1 377 . 2 1 1 A 36 36 ALA N N 36 122.328 121.841 0.487 1
1 378 . 2 1 1 A 36 36 ALA H H 36 8.446 8.775 -0.329 1
1 379 . 2 1 1 A 36 36 ALA CA C 36 55.724 56.097 -0.373 1
1 380 . 2 1 1 A 36 36 ALA HA H 36 4.281 4.128 0.153 1
1 381 . 2 1 1 A 36 36 ALA CB C 36 17.153 18.369 -1.216 1
1 385 . 2 1 1 A 36 36 ALA C C 36 181.002 179.437 1.565 1
1 386 . 2 1 1 A 37 37 ASP N N 37 119.092 118.681 0.411 1
1 387 . 2 1 1 A 37 37 ASP H H 37 7.997 8.309 -0.312 1
1 388 . 2 1 1 A 37 37 ASP CA C 37 57.105 56.816 0.289 1
1 389 . 2 1 1 A 37 37 ASP HA H 37 4.392 4.439 -0.047 1
1 390 . 2 1 1 A 37 37 ASP CB C 37 40.808 40.665 0.143 1
1 393 . 2 1 1 A 37 37 ASP C C 37 177.292 178.018 -0.726 1
1 394 . 2 1 1 A 38 38 TYR N N 38 121.825 120.853 0.972 1
1 395 . 2 1 1 A 38 38 TYR H H 38 7.648 8.067 -0.419 1
1 396 . 2 1 1 A 38 38 TYR CA C 38 60.838 61.079 -0.241 1
1 397 . 2 1 1 A 38 38 TYR HA H 38 4.046 4.200 -0.154 1
1 398 . 2 1 1 A 38 38 TYR CB C 38 39.411 38.648 0.763 1
1 409 . 2 1 1 A 38 38 TYR C C 38 177.306 177.072 0.234 1
1 410 . 2 1 1 A 39 39 VAL N N 39 118.437 118.974 -0.537 1
1 411 . 2 1 1 A 39 39 VAL H H 39 8.306 8.445 -0.139 1
1 412 . 2 1 1 A 39 39 VAL CA C 39 65.398 65.016 0.382 1
1 413 . 2 1 1 A 39 39 VAL HA H 39 3.707 4.037 -0.330 1
1 414 . 2 1 1 A 39 39 VAL CB C 39 32.833 32.086 0.747 1
1 424 . 2 1 1 A 39 39 VAL C C 39 177.244 177.062 0.182 1
1 425 . 2 1 1 A 40 40 GLY N N 40 105.738 109.231 -3.493 1
1 426 . 2 1 1 A 40 40 GLY H H 40 8.117 7.850 0.267 1
1 427 . 2 1 1 A 40 40 GLY CA C 40 45.890 46.369 -0.479 1
1 428 . 2 1 1 A 40 40 GLY HA2 H 40 3.896 3.910 -0.014 1
1 429 . 2 1 1 A 40 40 GLY HA3 H 40 3.694 3.922 -0.228 1
1 430 . 2 1 1 A 40 40 GLY C C 40 173.930 175.210 -1.280 1
1 431 . 2 1 1 A 41 41 ASN N N 41 116.713 120.227 -3.514 1
1 432 . 2 1 1 A 41 41 ASN H H 41 8.620 9.074 -0.454 1
1 433 . 2 1 1 A 41 41 ASN CA C 41 54.192 54.461 -0.269 1
1 434 . 2 1 1 A 41 41 ASN HA H 41 4.253 4.288 -0.035 1
1 435 . 2 1 1 A 41 41 ASN CB C 41 38.370 36.805 1.565 1
1 441 . 2 1 1 A 41 41 ASN C C 41 173.935 174.510 -0.575 1
1 442 . 2 1 1 A 42 42 ALA N N 42 115.074 113.212 1.862 1
1 443 . 2 1 1 A 42 42 ALA H H 42 8.425 8.221 0.204 1
1 444 . 2 1 1 A 42 42 ALA CA C 42 52.968 53.474 -0.506 1
1 445 . 2 1 1 A 42 42 ALA HA H 42 3.876 3.849 0.027 1
1 446 . 2 1 1 A 42 42 ALA CB C 42 17.871 17.700 0.171 1
1 450 . 2 1 1 A 42 42 ALA C C 42 177.531 176.147 1.384 1
1 451 . 2 1 1 A 43 43 ARG N N 43 119.427 116.303 3.124 1
1 452 . 2 1 1 A 43 43 ARG H H 43 7.773 7.320 0.453 1
1 453 . 2 1 1 A 43 43 ARG CA C 43 54.411 54.020 0.391 1
1 454 . 2 1 1 A 43 43 ARG HA H 43 4.447 4.940 -0.493 1
1 455 . 2 1 1 A 43 43 ARG CB C 43 30.954 33.725 -2.771 1
1 466 . 2 1 1 A 43 43 ARG C C 43 177.734 174.263 3.471 1
1 467 . 2 1 1 A 44 44 THR N N 44 113.165 114.016 -0.851 1
1 468 . 2 1 1 A 44 44 THR H H 44 8.918 8.518 0.400 1
1 469 . 2 1 1 A 44 44 THR CA C 44 60.337 60.325 0.012 1
1 470 . 2 1 1 A 44 44 THR HA H 44 4.625 4.974 -0.349 1
1 471 . 2 1 1 A 44 44 THR CB C 44 72.316 70.095 2.221 1
1 477 . 2 1 1 A 44 44 THR C C 44 177.134 174.574 2.560 1
1 478 . 2 1 1 A 45 45 LYS N N 45 121.142 124.604 -3.462 1
1 479 . 2 1 1 A 45 45 LYS H H 45 9.432 8.833 0.599 1
1 480 . 2 1 1 A 45 45 LYS CA C 45 59.938 59.266 0.672 1
1 481 . 2 1 1 A 45 45 LYS HA H 45 4.137 4.117 0.020 1
1 482 . 2 1 1 A 45 45 LYS CB C 45 32.188 32.057 0.131 1
1 494 . 2 1 1 A 45 45 LYS C C 45 177.330 178.050 -0.720 1
1 495 . 2 1 1 A 46 46 GLU N N 46 120.446 119.663 0.783 1
1 496 . 2 1 1 A 46 46 GLU H H 46 8.577 8.754 -0.177 1
1 497 . 2 1 1 A 46 46 GLU CA C 46 61.051 59.641 1.410 1
1 498 . 2 1 1 A 46 46 GLU HA H 46 3.716 3.917 -0.201 1
1 499 . 2 1 1 A 46 46 GLU CB C 46 28.270 29.343 -1.073 1
1 505 . 2 1 1 A 46 46 GLU C C 46 178.200 179.118 -0.918 1
1 506 . 2 1 1 A 47 47 GLU N N 47 119.411 118.360 1.051 1
1 507 . 2 1 1 A 47 47 GLU H H 47 7.874 8.167 -0.293 1
1 508 . 2 1 1 A 47 47 GLU CA C 47 59.209 59.115 0.094 1
1 509 . 2 1 1 A 47 47 GLU HA H 47 4.139 4.246 -0.107 1
1 510 . 2 1 1 A 47 47 GLU CB C 47 30.970 30.320 0.650 1
1 516 . 2 1 1 A 47 47 GLU C C 47 180.380 179.084 1.296 1
1 517 . 2 1 1 A 48 48 CYS N N 48 117.778 118.944 -1.166 1
1 518 . 2 1 1 A 48 48 CYS H H 48 8.354 8.612 -0.258 1
1 519 . 2 1 1 A 48 48 CYS CA C 48 65.002 63.103 1.899 1
1 520 . 2 1 1 A 48 48 CYS HA H 48 4.331 4.365 -0.034 1
1 521 . 2 1 1 A 48 48 CYS CB C 48 27.262 27.244 0.018 1
1 524 . 2 1 1 A 48 48 CYS C C 48 174.443 177.200 -2.757 1
1 525 . 2 1 1 A 49 49 ARG N N 49 121.012 120.882 0.130 1
1 526 . 2 1 1 A 49 49 ARG H H 49 7.364 7.517 -0.153 1
1 527 . 2 1 1 A 49 49 ARG CA C 49 58.352 58.223 0.129 1
1 528 . 2 1 1 A 49 49 ARG HA H 49 1.940 1.357 0.583 1
1 529 . 2 1 1 A 49 49 ARG CB C 49 29.691 29.242 0.449 1
1 538 . 2 1 1 A 49 49 ARG C C 49 177.306 177.411 -0.105 1
1 539 . 2 1 1 A 50 50 ASP N N 50 116.931 118.842 -1.911 1
1 540 . 2 1 1 A 50 50 ASP H H 50 8.183 8.019 0.164 1
1 541 . 2 1 1 A 50 50 ASP CA C 50 57.267 57.109 0.158 1
1 542 . 2 1 1 A 50 50 ASP HA H 50 4.170 4.170 0.000 1
1 543 . 2 1 1 A 50 50 ASP CB C 50 40.569 41.884 -1.315 1
1 546 . 2 1 1 A 50 50 ASP C C 50 178.695 178.194 0.501 1
1 547 . 2 1 1 A 51 51 HIS N N 51 116.759 119.655 -2.896 1
1 548 . 2 1 1 A 51 51 HIS H H 51 8.276 8.484 -0.208 1
1 549 . 2 1 1 A 51 51 HIS CA C 51 59.374 59.201 0.173 1
1 550 . 2 1 1 A 51 51 HIS HA H 51 3.986 3.988 -0.002 1
1 551 . 2 1 1 A 51 51 HIS CB C 51 28.534 29.759 -1.225 1
1 558 . 2 1 1 A 51 51 HIS C C 51 177.514 176.406 1.108 1
1 559 . 2 1 1 A 52 52 TYR N N 52 121.013 120.018 0.995 1
1 560 . 2 1 1 A 52 52 TYR H H 52 8.364 7.432 0.932 1
1 561 . 2 1 1 A 52 52 TYR CA C 52 62.363 61.304 1.059 1
1 562 . 2 1 1 A 52 52 TYR HA H 52 3.951 4.009 -0.058 1
1 563 . 2 1 1 A 52 52 TYR CB C 52 39.610 38.463 1.147 1
1 574 . 2 1 1 A 52 52 TYR C C 52 177.492 177.268 0.224 1
1 575 . 2 1 1 A 53 53 LEU N N 53 117.616 119.266 -1.650 1
1 576 . 2 1 1 A 53 53 LEU H H 53 8.354 7.901 0.453 1
1 577 . 2 1 1 A 53 53 LEU CA C 53 57.261 56.861 0.400 1
1 578 . 2 1 1 A 53 53 LEU HA H 53 3.985 4.228 -0.243 1
1 579 . 2 1 1 A 53 53 LEU CB C 53 41.403 41.653 -0.250 1
1 592 . 2 1 1 A 53 53 LEU C C 53 178.921 177.614 1.307 1
1 593 . 2 1 1 A 54 54 LYS N N 54 116.037 117.311 -1.274 1
1 594 . 2 1 1 A 54 54 LYS H H 54 7.468 8.056 -0.588 1
1 595 . 2 1 1 A 54 54 LYS CA C 54 57.859 57.431 0.428 1
1 596 . 2 1 1 A 54 54 LYS HA H 54 4.006 4.349 -0.343 1
1 597 . 2 1 1 A 54 54 LYS CB C 54 32.668 33.529 -0.861 1
1 609 . 2 1 1 A 54 54 LYS C C 54 177.318 178.273 -0.955 1
1 610 . 2 1 1 A 55 55 THR N N 55 111.885 116.507 -4.622 1
1 611 . 2 1 1 A 55 55 THR H H 55 7.259 8.084 -0.825 1
1 612 . 2 1 1 A 55 55 THR CA C 55 63.882 66.044 -2.162 1
1 613 . 2 1 1 A 55 55 THR HA H 55 3.864 3.840 0.024 1
1 614 . 2 1 1 A 55 55 THR CB C 55 69.759 68.728 1.031 1
1 620 . 2 1 1 A 55 55 THR C C 55 174.423 175.972 -1.549 1
1 621 . 2 1 1 A 56 56 TYR N N 56 120.015 119.239 0.776 1
1 622 . 2 1 1 A 56 56 TYR H H 56 7.767 8.127 -0.360 1
1 623 . 2 1 1 A 56 56 TYR CA C 56 58.699 60.702 -2.003 1
1 624 . 2 1 1 A 56 56 TYR HA H 56 4.388 4.091 0.297 1
1 625 . 2 1 1 A 56 56 TYR CB C 56 38.568 37.983 0.585 1
1 636 . 2 1 1 A 56 56 TYR C C 56 175.031 178.084 -3.053 1
1 637 . 2 1 1 A 57 57 ILE N N 57 121.611 119.951 1.660 1
1 638 . 2 1 1 A 57 57 ILE H H 57 7.376 8.456 -1.080 1
1 639 . 2 1 1 A 57 57 ILE CA C 57 60.560 65.179 -4.619 1
1 640 . 2 1 1 A 57 57 ILE HA H 57 4.155 3.684 0.471 1
1 641 . 2 1 1 A 57 57 ILE CB C 57 38.585 38.120 0.465 1
1 654 . 2 1 1 A 57 57 ILE C C 57 175.122 177.698 -2.576 1
1 1 . 3 1 1 A 3 3 SER CA C 3 58.574 62.712 -4.138 1
1 2 . 3 1 1 A 3 3 SER HA H 3 4.477 4.228 0.249 1
1 3 . 3 1 1 A 3 3 SER CB C 3 63.686 62.542 1.144 1
1 5 . 3 1 1 A 3 3 SER C C 3 175.067 176.993 -1.926 1
1 6 . 3 1 1 A 4 4 GLY N N 4 111.014 109.941 1.073 1
1 7 . 3 1 1 A 4 4 GLY H H 4 8.466 8.333 0.133 1
1 8 . 3 1 1 A 4 4 GLY CA C 4 45.338 47.450 -2.112 1
1 9 . 3 1 1 A 4 4 GLY HA2 H 4 4.006 3.862 0.144 1
1 10 . 3 1 1 A 4 4 GLY C C 4 174.344 174.606 -0.262 1
1 11 . 3 1 1 A 5 5 SER N N 5 115.891 114.917 0.974 1
1 12 . 3 1 1 A 5 5 SER H H 5 8.294 7.873 0.421 1
1 13 . 3 1 1 A 5 5 SER CA C 5 58.277 58.651 -0.374 1
1 14 . 3 1 1 A 5 5 SER HA H 5 4.499 4.477 0.022 1
1 15 . 3 1 1 A 5 5 SER CB C 5 63.850 64.058 -0.208 1
1 17 . 3 1 1 A 5 5 SER C C 5 174.840 174.178 0.662 1
1 18 . 3 1 1 A 6 6 SER N N 6 117.946 119.517 -1.571 1
1 19 . 3 1 1 A 6 6 SER H H 6 8.479 8.612 -0.133 1
1 20 . 3 1 1 A 6 6 SER CA C 6 58.632 58.137 0.495 1
1 21 . 3 1 1 A 6 6 SER HA H 6 4.427 4.800 -0.373 1
1 22 . 3 1 1 A 6 6 SER CB C 6 63.855 64.299 -0.444 1
1 24 . 3 1 1 A 6 6 SER C C 6 174.852 174.621 0.231 1
1 25 . 3 1 1 A 7 7 GLY N N 7 110.490 110.256 0.234 1
1 26 . 3 1 1 A 7 7 GLY H H 7 8.354 8.372 -0.018 1
1 27 . 3 1 1 A 7 7 GLY CA C 7 45.231 46.043 -0.812 1
1 28 . 3 1 1 A 7 7 GLY HA2 H 7 3.836 3.931 -0.095 1
1 29 . 3 1 1 A 7 7 GLY HA3 H 7 3.898 4.065 -0.167 1
1 30 . 3 1 1 A 7 7 GLY C C 7 173.829 173.029 0.800 1
1 31 . 3 1 1 A 8 8 PHE N N 8 119.865 118.531 1.334 1
1 32 . 3 1 1 A 8 8 PHE H H 8 8.094 8.415 -0.321 1
1 33 . 3 1 1 A 8 8 PHE CA C 8 57.501 56.380 1.121 1
1 34 . 3 1 1 A 8 8 PHE HA H 8 4.666 4.964 -0.298 1
1 35 . 3 1 1 A 8 8 PHE CB C 8 39.743 39.259 0.484 1
1 48 . 3 1 1 A 8 8 PHE C C 8 175.564 173.502 2.062 1
1 49 . 3 1 1 A 9 9 ASP N N 9 122.084 125.649 -3.565 1
1 50 . 3 1 1 A 9 9 ASP H H 9 8.516 9.081 -0.565 1
1 51 . 3 1 1 A 9 9 ASP CA C 9 54.372 52.481 1.891 1
1 52 . 3 1 1 A 9 9 ASP HA H 9 4.599 5.173 -0.574 1
1 53 . 3 1 1 A 9 9 ASP CB C 9 41.429 41.676 -0.247 1
1 56 . 3 1 1 A 9 9 ASP C C 9 176.168 174.940 1.228 1
1 57 . 3 1 1 A 10 10 GLU N N 10 121.747 126.342 -4.595 1
1 58 . 3 1 1 A 10 10 GLU H H 10 8.489 8.806 -0.317 1
1 59 . 3 1 1 A 10 10 GLU CA C 10 56.705 56.512 0.193 1
1 60 . 3 1 1 A 10 10 GLU HA H 10 4.359 4.514 -0.155 1
1 61 . 3 1 1 A 10 10 GLU CB C 10 30.039 28.761 1.278 1
1 67 . 3 1 1 A 10 10 GLU C C 10 176.584 175.515 1.069 1
1 68 . 3 1 1 A 11 11 ASN N N 11 119.867 123.234 -3.367 1
1 69 . 3 1 1 A 11 11 ASN H H 11 8.479 8.318 0.161 1
1 70 . 3 1 1 A 11 11 ASN CA C 11 53.332 52.092 1.240 1
1 71 . 3 1 1 A 11 11 ASN HA H 11 4.791 5.477 -0.686 1
1 72 . 3 1 1 A 11 11 ASN CB C 11 38.906 42.134 -3.228 1
1 78 . 3 1 1 A 11 11 ASN C C 11 175.284 174.331 0.953 1
1 79 . 3 1 1 A 12 12 TRP N N 12 124.246 125.766 -1.520 1
1 80 . 3 1 1 A 12 12 TRP H H 12 8.819 9.091 -0.272 1
1 81 . 3 1 1 A 12 12 TRP CA C 12 57.447 56.624 0.823 1
1 82 . 3 1 1 A 12 12 TRP HA H 12 4.338 5.006 -0.668 1
1 83 . 3 1 1 A 12 12 TRP CB C 12 29.096 31.042 -1.946 1
1 98 . 3 1 1 A 12 12 TRP C C 12 177.403 176.136 1.267 1
1 99 . 3 1 1 A 13 13 GLY N N 13 112.578 108.287 4.291 1
1 100 . 3 1 1 A 13 13 GLY H H 13 9.662 8.712 0.950 1
1 101 . 3 1 1 A 13 13 GLY CA C 13 44.383 43.983 0.400 1
1 102 . 3 1 1 A 13 13 GLY HA2 H 13 4.315 4.457 -0.142 1
1 103 . 3 1 1 A 13 13 GLY HA3 H 13 3.989 4.491 -0.502 1
1 104 . 3 1 1 A 13 13 GLY C C 13 174.443 175.013 -0.570 1
1 105 . 3 1 1 A 14 14 ALA N N 14 124.409 123.805 0.604 1
1 106 . 3 1 1 A 14 14 ALA H H 14 8.805 9.242 -0.437 1
1 107 . 3 1 1 A 14 14 ALA CA C 14 55.635 54.700 0.935 1
1 108 . 3 1 1 A 14 14 ALA HA H 14 4.225 4.022 0.203 1
1 109 . 3 1 1 A 14 14 ALA CB C 14 18.565 18.383 0.182 1
1 113 . 3 1 1 A 14 14 ALA C C 14 180.546 179.538 1.008 1
1 114 . 3 1 1 A 15 15 ASP N N 15 115.685 118.393 -2.708 1
1 115 . 3 1 1 A 15 15 ASP H H 15 8.825 8.206 0.619 1
1 116 . 3 1 1 A 15 15 ASP CA C 15 56.775 57.350 -0.575 1
1 117 . 3 1 1 A 15 15 ASP HA H 15 4.416 4.378 0.038 1
1 118 . 3 1 1 A 15 15 ASP CB C 15 39.188 40.401 -1.213 1
1 121 . 3 1 1 A 15 15 ASP C C 15 178.981 178.764 0.217 1
1 122 . 3 1 1 A 16 16 GLU N N 16 121.445 117.840 3.605 1
1 123 . 3 1 1 A 16 16 GLU H H 16 7.772 8.547 -0.775 1
1 124 . 3 1 1 A 16 16 GLU CA C 16 59.380 58.657 0.723 1
1 125 . 3 1 1 A 16 16 GLU HA H 16 4.203 4.262 -0.059 1
1 126 . 3 1 1 A 16 16 GLU CB C 16 30.556 28.292 2.264 1
1 132 . 3 1 1 A 16 16 GLU C C 16 178.517 178.710 -0.193 1
1 133 . 3 1 1 A 17 17 GLU N N 17 118.709 119.560 -0.851 1
1 134 . 3 1 1 A 17 17 GLU H H 17 8.363 8.532 -0.169 1
1 135 . 3 1 1 A 17 17 GLU CA C 17 59.820 59.349 0.471 1
1 136 . 3 1 1 A 17 17 GLU HA H 17 4.429 4.425 0.004 1
1 137 . 3 1 1 A 17 17 GLU CB C 17 29.774 29.662 0.112 1
1 143 . 3 1 1 A 17 17 GLU C C 17 179.029 179.267 -0.238 1
1 144 . 3 1 1 A 18 18 LEU N N 18 118.004 122.268 -4.264 1
1 145 . 3 1 1 A 18 18 LEU H H 18 7.650 8.059 -0.409 1
1 146 . 3 1 1 A 18 18 LEU CA C 18 58.128 57.738 0.390 1
1 147 . 3 1 1 A 18 18 LEU HA H 18 4.212 4.201 0.011 1
1 148 . 3 1 1 A 18 18 LEU CB C 18 41.700 42.005 -0.305 1
1 161 . 3 1 1 A 18 18 LEU C C 18 179.871 178.520 1.351 1
1 162 . 3 1 1 A 19 19 LEU N N 19 119.600 118.519 1.081 1
1 163 . 3 1 1 A 19 19 LEU H H 19 7.783 8.103 -0.320 1
1 164 . 3 1 1 A 19 19 LEU CA C 19 58.106 58.148 -0.042 1
1 165 . 3 1 1 A 19 19 LEU HA H 19 4.390 4.184 0.206 1
1 166 . 3 1 1 A 19 19 LEU CB C 19 43.169 42.102 1.067 1
1 179 . 3 1 1 A 19 19 LEU C C 19 178.634 179.131 -0.497 1
1 180 . 3 1 1 A 20 20 LEU N N 20 120.243 119.509 0.734 1
1 181 . 3 1 1 A 20 20 LEU H H 20 8.364 7.919 0.445 1
1 182 . 3 1 1 A 20 20 LEU CA C 20 58.390 58.831 -0.441 1
1 183 . 3 1 1 A 20 20 LEU HA H 20 4.083 4.163 -0.080 1
1 184 . 3 1 1 A 20 20 LEU CB C 20 42.005 42.456 -0.451 1
1 197 . 3 1 1 A 20 20 LEU C C 20 178.135 178.418 -0.283 1
1 198 . 3 1 1 A 21 21 ILE N N 21 119.379 119.827 -0.448 1
1 199 . 3 1 1 A 21 21 ILE H H 21 8.133 8.318 -0.185 1
1 200 . 3 1 1 A 21 21 ILE CA C 21 64.962 65.681 -0.719 1
1 201 . 3 1 1 A 21 21 ILE HA H 21 3.685 3.579 0.106 1
1 202 . 3 1 1 A 21 21 ILE CB C 21 37.895 38.339 -0.444 1
1 215 . 3 1 1 A 21 21 ILE C C 21 178.423 177.866 0.557 1
1 216 . 3 1 1 A 22 22 ASP N N 22 120.464 120.567 -0.103 1
1 217 . 3 1 1 A 22 22 ASP H H 22 8.203 8.686 -0.483 1
1 218 . 3 1 1 A 22 22 ASP CA C 22 57.332 57.617 -0.285 1
1 219 . 3 1 1 A 22 22 ASP HA H 22 4.400 4.316 0.084 1
1 220 . 3 1 1 A 22 22 ASP CB C 22 41.023 40.393 0.630 1
1 223 . 3 1 1 A 22 22 ASP C C 22 179.117 178.450 0.667 1
1 224 . 3 1 1 A 23 23 ALA N N 23 123.634 121.934 1.700 1
1 225 . 3 1 1 A 23 23 ALA H H 23 8.819 8.370 0.449 1
1 226 . 3 1 1 A 23 23 ALA CA C 23 55.058 54.691 0.367 1
1 227 . 3 1 1 A 23 23 ALA HA H 23 3.050 3.707 -0.657 1
1 228 . 3 1 1 A 23 23 ALA CB C 23 20.405 18.049 2.356 1
1 232 . 3 1 1 A 23 23 ALA C C 23 179.042 179.463 -0.421 1
1 233 . 3 1 1 A 24 24 CYS N N 24 115.941 118.088 -2.147 1
1 234 . 3 1 1 A 24 24 CYS H H 24 8.227 8.101 0.126 1
1 235 . 3 1 1 A 24 24 CYS CA C 24 63.657 62.447 1.210 1
1 236 . 3 1 1 A 24 24 CYS HA H 24 3.524 3.597 -0.073 1
1 237 . 3 1 1 A 24 24 CYS CB C 24 27.165 26.587 0.578 1
1 240 . 3 1 1 A 24 24 CYS C C 24 177.855 176.392 1.463 1
1 241 . 3 1 1 A 25 25 GLU N N 25 118.624 119.202 -0.578 1
1 242 . 3 1 1 A 25 25 GLU H H 25 8.262 7.720 0.542 1
1 243 . 3 1 1 A 25 25 GLU CA C 25 58.829 58.031 0.798 1
1 244 . 3 1 1 A 25 25 GLU HA H 25 3.974 4.198 -0.224 1
1 245 . 3 1 1 A 25 25 GLU CB C 25 29.896 30.009 -0.113 1
1 251 . 3 1 1 A 25 25 GLU C C 25 178.082 178.912 -0.830 1
1 252 . 3 1 1 A 26 26 THR N N 26 113.708 117.496 -3.788 1
1 253 . 3 1 1 A 26 26 THR H H 26 8.046 8.131 -0.085 1
1 254 . 3 1 1 A 26 26 THR CA C 26 65.448 66.288 -0.840 1
1 255 . 3 1 1 A 26 26 THR HA H 26 4.003 3.884 0.119 1
1 256 . 3 1 1 A 26 26 THR CB C 26 69.475 68.468 1.007 1
1 262 . 3 1 1 A 26 26 THR C C 26 175.986 176.175 -0.189 1
1 263 . 3 1 1 A 27 27 LEU N N 27 119.789 118.325 1.464 1
1 264 . 3 1 1 A 27 27 LEU H H 27 8.609 7.598 1.011 1
1 265 . 3 1 1 A 27 27 LEU CA C 27 55.566 56.290 -0.724 1
1 266 . 3 1 1 A 27 27 LEU HA H 27 4.238 3.946 0.292 1
1 267 . 3 1 1 A 27 27 LEU CB C 27 42.130 42.473 -0.343 1
1 280 . 3 1 1 A 27 27 LEU C C 27 179.075 177.578 1.497 1
1 281 . 3 1 1 A 28 28 GLY N N 28 107.009 106.075 0.934 1
1 282 . 3 1 1 A 28 28 GLY H H 28 6.965 8.061 -1.096 1
1 283 . 3 1 1 A 28 28 GLY CA C 28 44.545 44.448 0.097 1
1 284 . 3 1 1 A 28 28 GLY HA2 H 28 4.057 3.910 0.147 1
1 285 . 3 1 1 A 28 28 GLY HA3 H 28 3.664 3.942 -0.278 1
1 286 . 3 1 1 A 28 28 GLY C C 28 173.046 174.937 -1.891 1
1 287 . 3 1 1 A 29 29 LEU N N 29 117.364 124.029 -6.665 1
1 288 . 3 1 1 A 29 29 LEU H H 29 7.960 8.114 -0.154 1
1 289 . 3 1 1 A 29 29 LEU CA C 29 54.626 57.299 -2.673 1
1 290 . 3 1 1 A 29 29 LEU HA H 29 3.487 3.174 0.313 1
1 291 . 3 1 1 A 29 29 LEU CB C 29 40.949 41.056 -0.107 1
1 304 . 3 1 1 A 29 29 LEU C C 29 177.460 178.769 -1.309 1
1 305 . 3 1 1 A 30 30 GLY N N 30 106.469 106.622 -0.153 1
1 306 . 3 1 1 A 30 30 GLY H H 30 7.503 7.953 -0.450 1
1 307 . 3 1 1 A 30 30 GLY CA C 30 46.003 47.032 -1.029 1
1 308 . 3 1 1 A 30 30 GLY HA2 H 30 3.781 3.831 -0.050 1
1 309 . 3 1 1 A 30 30 GLY HA3 H 30 3.638 3.835 -0.197 1
1 310 . 3 1 1 A 30 30 GLY C C 30 174.269 174.522 -0.253 1
1 311 . 3 1 1 A 31 31 ASN N N 31 117.981 116.541 1.440 1
1 312 . 3 1 1 A 31 31 ASN H H 31 7.643 7.828 -0.185 1
1 313 . 3 1 1 A 31 31 ASN CA C 31 52.135 51.853 0.282 1
1 314 . 3 1 1 A 31 31 ASN HA H 31 4.899 4.980 -0.081 1
1 315 . 3 1 1 A 31 31 ASN CB C 31 38.492 39.313 -0.821 1
1 321 . 3 1 1 A 31 31 ASN C C 31 176.436 175.136 1.300 1
1 322 . 3 1 1 A 32 32 TRP N N 32 124.932 124.371 0.561 1
1 323 . 3 1 1 A 32 32 TRP H H 32 8.638 8.395 0.243 1
1 324 . 3 1 1 A 32 32 TRP CA C 32 60.578 60.005 0.573 1
1 325 . 3 1 1 A 32 32 TRP HA H 32 4.257 4.343 -0.086 1
1 326 . 3 1 1 A 32 32 TRP CB C 32 29.185 29.230 -0.045 1
1 341 . 3 1 1 A 32 32 TRP C C 32 177.477 178.664 -1.187 1
1 342 . 3 1 1 A 33 33 ALA N N 33 123.791 122.184 1.607 1
1 343 . 3 1 1 A 33 33 ALA H H 33 8.522 8.339 0.183 1
1 344 . 3 1 1 A 33 33 ALA CA C 33 55.609 55.348 0.261 1
1 345 . 3 1 1 A 33 33 ALA HA H 33 4.245 4.144 0.101 1
1 346 . 3 1 1 A 33 33 ALA CB C 33 17.931 18.568 -0.637 1
1 350 . 3 1 1 A 33 33 ALA C C 33 179.868 179.669 0.199 1
1 351 . 3 1 1 A 34 34 ASP N N 34 118.553 118.173 0.380 1
1 352 . 3 1 1 A 34 34 ASP H H 34 7.463 7.826 -0.363 1
1 353 . 3 1 1 A 34 34 ASP CA C 34 56.937 57.334 -0.397 1
1 354 . 3 1 1 A 34 34 ASP HA H 34 4.378 4.541 -0.163 1
1 355 . 3 1 1 A 34 34 ASP CB C 34 40.089 41.039 -0.950 1
1 358 . 3 1 1 A 34 34 ASP C C 34 179.385 179.146 0.239 1
1 359 . 3 1 1 A 35 35 ILE N N 35 121.343 121.474 -0.131 1
1 360 . 3 1 1 A 35 35 ILE H H 35 7.308 7.531 -0.223 1
1 361 . 3 1 1 A 35 35 ILE CA C 35 64.900 65.938 -1.038 1
1 362 . 3 1 1 A 35 35 ILE HA H 35 3.528 3.824 -0.296 1
1 363 . 3 1 1 A 35 35 ILE CB C 35 37.842 37.966 -0.124 1
1 376 . 3 1 1 A 35 35 ILE C C 35 176.832 177.861 -1.029 1
1 377 . 3 1 1 A 36 36 ALA N N 36 122.328 122.004 0.324 1
1 378 . 3 1 1 A 36 36 ALA H H 36 8.446 8.956 -0.510 1
1 379 . 3 1 1 A 36 36 ALA CA C 36 55.724 55.978 -0.254 1
1 380 . 3 1 1 A 36 36 ALA HA H 36 4.281 4.120 0.161 1
1 381 . 3 1 1 A 36 36 ALA CB C 36 17.153 18.465 -1.312 1
1 385 . 3 1 1 A 36 36 ALA C C 36 181.002 179.531 1.471 1
1 386 . 3 1 1 A 37 37 ASP N N 37 119.092 118.527 0.565 1
1 387 . 3 1 1 A 37 37 ASP H H 37 7.997 8.218 -0.221 1
1 388 . 3 1 1 A 37 37 ASP CA C 37 57.105 56.732 0.373 1
1 389 . 3 1 1 A 37 37 ASP HA H 37 4.392 4.468 -0.076 1
1 390 . 3 1 1 A 37 37 ASP CB C 37 40.808 40.696 0.112 1
1 393 . 3 1 1 A 37 37 ASP C C 37 177.292 178.057 -0.765 1
1 394 . 3 1 1 A 38 38 TYR N N 38 121.825 120.901 0.924 1
1 395 . 3 1 1 A 38 38 TYR H H 38 7.648 8.430 -0.782 1
1 396 . 3 1 1 A 38 38 TYR CA C 38 60.838 60.829 0.009 1
1 397 . 3 1 1 A 38 38 TYR HA H 38 4.046 4.223 -0.177 1
1 398 . 3 1 1 A 38 38 TYR CB C 38 39.411 38.841 0.570 1
1 409 . 3 1 1 A 38 38 TYR C C 38 177.306 177.301 0.005 1
1 410 . 3 1 1 A 39 39 VAL N N 39 118.437 118.976 -0.539 1
1 411 . 3 1 1 A 39 39 VAL H H 39 8.306 8.499 -0.193 1
1 412 . 3 1 1 A 39 39 VAL CA C 39 65.398 65.049 0.349 1
1 413 . 3 1 1 A 39 39 VAL HA H 39 3.707 4.001 -0.294 1
1 414 . 3 1 1 A 39 39 VAL CB C 39 32.833 32.145 0.688 1
1 424 . 3 1 1 A 39 39 VAL C C 39 177.244 177.069 0.175 1
1 425 . 3 1 1 A 40 40 GLY N N 40 105.738 109.279 -3.541 1
1 426 . 3 1 1 A 40 40 GLY H H 40 8.117 7.983 0.134 1
1 427 . 3 1 1 A 40 40 GLY CA C 40 45.890 46.549 -0.659 1
1 428 . 3 1 1 A 40 40 GLY HA2 H 40 3.896 3.891 0.005 1
1 429 . 3 1 1 A 40 40 GLY HA3 H 40 3.694 3.907 -0.213 1
1 430 . 3 1 1 A 40 40 GLY C C 40 173.930 175.215 -1.285 1
1 431 . 3 1 1 A 41 41 ASN N N 41 116.713 120.172 -3.459 1
1 432 . 3 1 1 A 41 41 ASN H H 41 8.620 9.049 -0.429 1
1 433 . 3 1 1 A 41 41 ASN CA C 41 54.192 54.487 -0.295 1
1 434 . 3 1 1 A 41 41 ASN HA H 41 4.253 4.300 -0.047 1
1 435 . 3 1 1 A 41 41 ASN CB C 41 38.370 36.804 1.566 1
1 441 . 3 1 1 A 41 41 ASN C C 41 173.935 174.535 -0.600 1
1 442 . 3 1 1 A 42 42 ALA N N 42 115.074 113.291 1.783 1
1 443 . 3 1 1 A 42 42 ALA H H 42 8.425 8.225 0.200 1
1 444 . 3 1 1 A 42 42 ALA CA C 42 52.968 53.488 -0.520 1
1 445 . 3 1 1 A 42 42 ALA HA H 42 3.876 3.852 0.024 1
1 446 . 3 1 1 A 42 42 ALA CB C 42 17.871 17.656 0.215 1
1 450 . 3 1 1 A 42 42 ALA C C 42 177.531 176.068 1.463 1
1 451 . 3 1 1 A 43 43 ARG N N 43 119.427 116.331 3.096 1
1 452 . 3 1 1 A 43 43 ARG H H 43 7.773 7.456 0.317 1
1 453 . 3 1 1 A 43 43 ARG CA C 43 54.411 54.036 0.375 1
1 454 . 3 1 1 A 43 43 ARG HA H 43 4.447 5.109 -0.662 1
1 455 . 3 1 1 A 43 43 ARG CB C 43 30.954 33.823 -2.869 1
1 466 . 3 1 1 A 43 43 ARG C C 43 177.734 174.320 3.414 1
1 467 . 3 1 1 A 44 44 THR N N 44 113.165 114.024 -0.859 1
1 468 . 3 1 1 A 44 44 THR H H 44 8.918 8.525 0.393 1
1 469 . 3 1 1 A 44 44 THR CA C 44 60.337 60.568 -0.231 1
1 470 . 3 1 1 A 44 44 THR HA H 44 4.625 4.963 -0.338 1
1 471 . 3 1 1 A 44 44 THR CB C 44 72.316 70.149 2.167 1
1 477 . 3 1 1 A 44 44 THR C C 44 177.134 174.512 2.622 1
1 478 . 3 1 1 A 45 45 LYS N N 45 121.142 124.822 -3.680 1
1 479 . 3 1 1 A 45 45 LYS H H 45 9.432 8.847 0.585 1
1 480 . 3 1 1 A 45 45 LYS CA C 45 59.938 59.297 0.641 1
1 481 . 3 1 1 A 45 45 LYS HA H 45 4.137 4.147 -0.010 1
1 482 . 3 1 1 A 45 45 LYS CB C 45 32.188 32.020 0.168 1
1 494 . 3 1 1 A 45 45 LYS C C 45 177.330 178.076 -0.746 1
1 495 . 3 1 1 A 46 46 GLU N N 46 120.446 119.762 0.684 1
1 496 . 3 1 1 A 46 46 GLU H H 46 8.577 8.694 -0.117 1
1 497 . 3 1 1 A 46 46 GLU CA C 46 61.051 59.655 1.396 1
1 498 . 3 1 1 A 46 46 GLU HA H 46 3.716 3.892 -0.176 1
1 499 . 3 1 1 A 46 46 GLU CB C 46 28.270 29.300 -1.030 1
1 505 . 3 1 1 A 46 46 GLU C C 46 178.200 179.374 -1.174 1
1 506 . 3 1 1 A 47 47 GLU N N 47 119.411 119.077 0.334 1
1 507 . 3 1 1 A 47 47 GLU H H 47 7.874 8.082 -0.208 1
1 508 . 3 1 1 A 47 47 GLU CA C 47 59.209 59.113 0.096 1
1 509 . 3 1 1 A 47 47 GLU HA H 47 4.139 4.219 -0.080 1
1 510 . 3 1 1 A 47 47 GLU CB C 47 30.970 30.252 0.718 1
1 516 . 3 1 1 A 47 47 GLU C C 47 180.380 179.027 1.353 1
1 517 . 3 1 1 A 48 48 CYS N N 48 117.778 119.277 -1.499 1
1 518 . 3 1 1 A 48 48 CYS H H 48 8.354 8.592 -0.238 1
1 519 . 3 1 1 A 48 48 CYS CA C 48 65.002 63.346 1.656 1
1 520 . 3 1 1 A 48 48 CYS HA H 48 4.331 4.443 -0.112 1
1 521 . 3 1 1 A 48 48 CYS CB C 48 27.262 27.341 -0.079 1
1 524 . 3 1 1 A 48 48 CYS C C 48 174.443 177.148 -2.705 1
1 525 . 3 1 1 A 49 49 ARG N N 49 121.012 121.262 -0.250 1
1 526 . 3 1 1 A 49 49 ARG H H 49 7.364 7.880 -0.516 1
1 527 . 3 1 1 A 49 49 ARG CA C 49 58.352 58.183 0.169 1
1 528 . 3 1 1 A 49 49 ARG HA H 49 1.940 0.993 0.947 1
1 529 . 3 1 1 A 49 49 ARG CB C 49 29.691 29.268 0.423 1
1 538 . 3 1 1 A 49 49 ARG C C 49 177.306 177.414 -0.108 1
1 539 . 3 1 1 A 50 50 ASP N N 50 116.931 118.813 -1.882 1
1 540 . 3 1 1 A 50 50 ASP H H 50 8.183 7.523 0.660 1
1 541 . 3 1 1 A 50 50 ASP CA C 50 57.267 57.094 0.173 1
1 542 . 3 1 1 A 50 50 ASP HA H 50 4.170 4.192 -0.022 1
1 543 . 3 1 1 A 50 50 ASP CB C 50 40.569 41.792 -1.223 1
1 546 . 3 1 1 A 50 50 ASP C C 50 178.695 178.132 0.563 1
1 547 . 3 1 1 A 51 51 HIS N N 51 116.759 119.526 -2.767 1
1 548 . 3 1 1 A 51 51 HIS H H 51 8.276 8.574 -0.298 1
1 549 . 3 1 1 A 51 51 HIS CA C 51 59.374 59.198 0.176 1
1 550 . 3 1 1 A 51 51 HIS HA H 51 3.986 4.073 -0.087 1
1 551 . 3 1 1 A 51 51 HIS CB C 51 28.534 29.811 -1.277 1
1 558 . 3 1 1 A 51 51 HIS C C 51 177.514 176.605 0.909 1
1 559 . 3 1 1 A 52 52 TYR N N 52 121.013 119.927 1.086 1
1 560 . 3 1 1 A 52 52 TYR H H 52 8.364 7.457 0.907 1
1 561 . 3 1 1 A 52 52 TYR CA C 52 62.363 61.360 1.003 1
1 562 . 3 1 1 A 52 52 TYR HA H 52 3.951 3.988 -0.037 1
1 563 . 3 1 1 A 52 52 TYR CB C 52 39.610 38.548 1.062 1
1 574 . 3 1 1 A 52 52 TYR C C 52 177.492 177.285 0.207 1
1 575 . 3 1 1 A 53 53 LEU N N 53 117.616 119.395 -1.779 1
1 576 . 3 1 1 A 53 53 LEU H H 53 8.354 7.756 0.598 1
1 577 . 3 1 1 A 53 53 LEU CA C 53 57.261 56.740 0.521 1
1 578 . 3 1 1 A 53 53 LEU HA H 53 3.985 4.257 -0.272 1
1 579 . 3 1 1 A 53 53 LEU CB C 53 41.403 41.754 -0.351 1
1 592 . 3 1 1 A 53 53 LEU C C 53 178.921 177.721 1.200 1
1 593 . 3 1 1 A 54 54 LYS N N 54 116.037 117.306 -1.269 1
1 594 . 3 1 1 A 54 54 LYS H H 54 7.468 8.296 -0.828 1
1 595 . 3 1 1 A 54 54 LYS CA C 54 57.859 57.440 0.419 1
1 596 . 3 1 1 A 54 54 LYS HA H 54 4.006 4.403 -0.397 1
1 597 . 3 1 1 A 54 54 LYS CB C 54 32.668 33.493 -0.825 1
1 609 . 3 1 1 A 54 54 LYS C C 54 177.318 178.265 -0.947 1
1 610 . 3 1 1 A 55 55 THR N N 55 111.885 116.213 -4.328 1
1 611 . 3 1 1 A 55 55 THR H H 55 7.259 7.948 -0.689 1
1 612 . 3 1 1 A 55 55 THR CA C 55 63.882 65.377 -1.495 1
1 613 . 3 1 1 A 55 55 THR HA H 55 3.864 3.992 -0.128 1
1 614 . 3 1 1 A 55 55 THR CB C 55 69.759 68.977 0.782 1
1 620 . 3 1 1 A 55 55 THR C C 55 174.423 175.499 -1.076 1
1 621 . 3 1 1 A 56 56 TYR N N 56 120.015 118.564 1.451 1
1 622 . 3 1 1 A 56 56 TYR H H 56 7.767 8.254 -0.487 1
1 623 . 3 1 1 A 56 56 TYR CA C 56 58.699 60.565 -1.866 1
1 624 . 3 1 1 A 56 56 TYR HA H 56 4.388 4.219 0.169 1
1 625 . 3 1 1 A 56 56 TYR CB C 56 38.568 38.571 -0.003 1
1 636 . 3 1 1 A 56 56 TYR C C 56 175.031 178.221 -3.190 1
1 637 . 3 1 1 A 57 57 ILE N N 57 121.611 120.084 1.527 1
1 638 . 3 1 1 A 57 57 ILE H H 57 7.376 8.555 -1.179 1
1 639 . 3 1 1 A 57 57 ILE CA C 57 60.560 64.983 -4.423 1
1 640 . 3 1 1 A 57 57 ILE HA H 57 4.155 3.694 0.461 1
1 641 . 3 1 1 A 57 57 ILE CB C 57 38.585 38.016 0.569 1
1 654 . 3 1 1 A 57 57 ILE C C 57 175.122 178.442 -3.320 1
1 1 . 4 1 1 A 3 3 SER CA C 3 58.574 60.075 -1.501 1
1 2 . 4 1 1 A 3 3 SER HA H 3 4.477 4.319 0.158 1
1 3 . 4 1 1 A 3 3 SER CB C 3 63.686 63.420 0.266 1
1 5 . 4 1 1 A 3 3 SER C C 3 175.067 174.784 0.283 1
1 6 . 4 1 1 A 4 4 GLY N N 4 111.014 109.193 1.821 1
1 7 . 4 1 1 A 4 4 GLY H H 4 8.466 8.095 0.371 1
1 8 . 4 1 1 A 4 4 GLY CA C 4 45.338 45.281 0.057 1
1 9 . 4 1 1 A 4 4 GLY HA2 H 4 4.006 3.967 0.039 1
1 10 . 4 1 1 A 4 4 GLY C C 4 174.344 174.134 0.210 1
1 11 . 4 1 1 A 5 5 SER N N 5 115.891 117.505 -1.614 1
1 12 . 4 1 1 A 5 5 SER H H 5 8.294 7.842 0.452 1
1 13 . 4 1 1 A 5 5 SER CA C 5 58.277 58.036 0.241 1
1 14 . 4 1 1 A 5 5 SER HA H 5 4.499 4.413 0.086 1
1 15 . 4 1 1 A 5 5 SER CB C 5 63.850 63.150 0.700 1
1 17 . 4 1 1 A 5 5 SER C C 5 174.840 174.695 0.145 1
1 18 . 4 1 1 A 6 6 SER N N 6 117.946 123.200 -5.254 1
1 19 . 4 1 1 A 6 6 SER H H 6 8.479 8.854 -0.375 1
1 20 . 4 1 1 A 6 6 SER CA C 6 58.632 61.178 -2.546 1
1 21 . 4 1 1 A 6 6 SER HA H 6 4.427 4.361 0.066 1
1 22 . 4 1 1 A 6 6 SER CB C 6 63.855 63.712 0.143 1
1 24 . 4 1 1 A 6 6 SER C C 6 174.852 174.983 -0.131 1
1 25 . 4 1 1 A 7 7 GLY N N 7 110.490 105.430 5.060 1
1 26 . 4 1 1 A 7 7 GLY H H 7 8.354 7.394 0.960 1
1 27 . 4 1 1 A 7 7 GLY CA C 7 45.231 46.157 -0.926 1
1 28 . 4 1 1 A 7 7 GLY HA2 H 7 3.836 4.033 -0.197 1
1 29 . 4 1 1 A 7 7 GLY HA3 H 7 3.898 4.092 -0.194 1
1 30 . 4 1 1 A 7 7 GLY C C 7 173.829 173.669 0.160 1
1 31 . 4 1 1 A 8 8 PHE N N 8 119.865 119.898 -0.033 1
1 32 . 4 1 1 A 8 8 PHE H H 8 8.094 8.200 -0.106 1
1 33 . 4 1 1 A 8 8 PHE CA C 8 57.501 57.654 -0.153 1
1 34 . 4 1 1 A 8 8 PHE HA H 8 4.666 4.501 0.165 1
1 35 . 4 1 1 A 8 8 PHE CB C 8 39.743 38.710 1.033 1
1 48 . 4 1 1 A 8 8 PHE C C 8 175.564 174.923 0.641 1
1 49 . 4 1 1 A 9 9 ASP N N 9 122.084 122.401 -0.317 1
1 50 . 4 1 1 A 9 9 ASP H H 9 8.516 8.694 -0.178 1
1 51 . 4 1 1 A 9 9 ASP CA C 9 54.372 54.161 0.211 1
1 52 . 4 1 1 A 9 9 ASP HA H 9 4.599 4.649 -0.050 1
1 53 . 4 1 1 A 9 9 ASP CB C 9 41.429 43.138 -1.709 1
1 56 . 4 1 1 A 9 9 ASP C C 9 176.168 176.132 0.036 1
1 57 . 4 1 1 A 10 10 GLU N N 10 121.747 118.403 3.344 1
1 58 . 4 1 1 A 10 10 GLU H H 10 8.489 8.218 0.271 1
1 59 . 4 1 1 A 10 10 GLU CA C 10 56.705 57.321 -0.616 1
1 60 . 4 1 1 A 10 10 GLU HA H 10 4.359 4.058 0.301 1
1 61 . 4 1 1 A 10 10 GLU CB C 10 30.039 28.420 1.619 1
1 67 . 4 1 1 A 10 10 GLU C C 10 176.584 177.258 -0.674 1
1 68 . 4 1 1 A 11 11 ASN N N 11 119.867 117.539 2.328 1
1 69 . 4 1 1 A 11 11 ASN H H 11 8.479 8.259 0.220 1
1 70 . 4 1 1 A 11 11 ASN CA C 11 53.332 56.036 -2.704 1
1 71 . 4 1 1 A 11 11 ASN HA H 11 4.791 4.428 0.363 1
1 72 . 4 1 1 A 11 11 ASN CB C 11 38.906 38.147 0.759 1
1 78 . 4 1 1 A 11 11 ASN C C 11 175.284 176.296 -1.012 1
1 79 . 4 1 1 A 12 12 TRP N N 12 124.246 119.714 4.532 1
1 80 . 4 1 1 A 12 12 TRP H H 12 8.819 8.024 0.795 1
1 81 . 4 1 1 A 12 12 TRP CA C 12 57.447 57.346 0.101 1
1 82 . 4 1 1 A 12 12 TRP HA H 12 4.338 4.681 -0.343 1
1 83 . 4 1 1 A 12 12 TRP CB C 12 29.096 30.180 -1.084 1
1 98 . 4 1 1 A 12 12 TRP C C 12 177.403 176.440 0.963 1
1 99 . 4 1 1 A 13 13 GLY N N 13 112.578 108.346 4.232 1
1 100 . 4 1 1 A 13 13 GLY H H 13 9.662 8.760 0.902 1
1 101 . 4 1 1 A 13 13 GLY CA C 13 44.383 44.036 0.347 1
1 102 . 4 1 1 A 13 13 GLY HA2 H 13 4.315 4.462 -0.147 1
1 103 . 4 1 1 A 13 13 GLY HA3 H 13 3.989 4.500 -0.511 1
1 104 . 4 1 1 A 13 13 GLY C C 13 174.443 175.063 -0.620 1
1 105 . 4 1 1 A 14 14 ALA N N 14 124.409 124.912 -0.503 1
1 106 . 4 1 1 A 14 14 ALA H H 14 8.805 9.291 -0.486 1
1 107 . 4 1 1 A 14 14 ALA CA C 14 55.635 54.834 0.801 1
1 108 . 4 1 1 A 14 14 ALA HA H 14 4.225 4.100 0.125 1
1 109 . 4 1 1 A 14 14 ALA CB C 14 18.565 18.358 0.207 1
1 113 . 4 1 1 A 14 14 ALA C C 14 180.546 179.561 0.985 1
1 114 . 4 1 1 A 15 15 ASP N N 15 115.685 118.498 -2.813 1
1 115 . 4 1 1 A 15 15 ASP H H 15 8.825 8.125 0.700 1
1 116 . 4 1 1 A 15 15 ASP CA C 15 56.775 57.361 -0.586 1
1 117 . 4 1 1 A 15 15 ASP HA H 15 4.416 4.404 0.012 1
1 118 . 4 1 1 A 15 15 ASP CB C 15 39.188 40.405 -1.217 1
1 121 . 4 1 1 A 15 15 ASP C C 15 178.981 178.770 0.211 1
1 122 . 4 1 1 A 16 16 GLU N N 16 121.445 117.832 3.613 1
1 123 . 4 1 1 A 16 16 GLU H H 16 7.772 8.543 -0.771 1
1 124 . 4 1 1 A 16 16 GLU CA C 16 59.380 58.626 0.754 1
1 125 . 4 1 1 A 16 16 GLU HA H 16 4.203 4.250 -0.047 1
1 126 . 4 1 1 A 16 16 GLU CB C 16 30.556 28.195 2.361 1
1 132 . 4 1 1 A 16 16 GLU C C 16 178.517 178.684 -0.167 1
1 133 . 4 1 1 A 17 17 GLU N N 17 118.709 119.661 -0.952 1
1 134 . 4 1 1 A 17 17 GLU H H 17 8.363 8.680 -0.317 1
1 135 . 4 1 1 A 17 17 GLU CA C 17 59.820 59.199 0.621 1
1 136 . 4 1 1 A 17 17 GLU HA H 17 4.429 4.562 -0.133 1
1 137 . 4 1 1 A 17 17 GLU CB C 17 29.774 30.150 -0.376 1
1 143 . 4 1 1 A 17 17 GLU C C 17 179.029 179.246 -0.217 1
1 144 . 4 1 1 A 18 18 LEU N N 18 118.004 122.084 -4.080 1
1 145 . 4 1 1 A 18 18 LEU H H 18 7.650 8.219 -0.569 1
1 146 . 4 1 1 A 18 18 LEU CA C 18 58.128 57.762 0.366 1
1 147 . 4 1 1 A 18 18 LEU HA H 18 4.212 4.229 -0.017 1
1 148 . 4 1 1 A 18 18 LEU CB C 18 41.700 41.788 -0.088 1
1 161 . 4 1 1 A 18 18 LEU C C 18 179.871 178.483 1.388 1
1 162 . 4 1 1 A 19 19 LEU N N 19 119.600 118.666 0.934 1
1 163 . 4 1 1 A 19 19 LEU H H 19 7.783 8.309 -0.526 1
1 164 . 4 1 1 A 19 19 LEU CA C 19 58.106 58.359 -0.253 1
1 165 . 4 1 1 A 19 19 LEU HA H 19 4.390 4.274 0.116 1
1 166 . 4 1 1 A 19 19 LEU CB C 19 43.169 41.576 1.593 1
1 179 . 4 1 1 A 19 19 LEU C C 19 178.634 178.930 -0.296 1
1 180 . 4 1 1 A 20 20 LEU N N 20 120.243 120.235 0.008 1
1 181 . 4 1 1 A 20 20 LEU H H 20 8.364 8.317 0.047 1
1 182 . 4 1 1 A 20 20 LEU CA C 20 58.390 58.676 -0.286 1
1 183 . 4 1 1 A 20 20 LEU HA H 20 4.083 4.186 -0.103 1
1 184 . 4 1 1 A 20 20 LEU CB C 20 42.005 41.812 0.193 1
1 197 . 4 1 1 A 20 20 LEU C C 20 178.135 178.739 -0.604 1
1 198 . 4 1 1 A 21 21 ILE N N 21 119.379 119.928 -0.549 1
1 199 . 4 1 1 A 21 21 ILE H H 21 8.133 7.822 0.311 1
1 200 . 4 1 1 A 21 21 ILE CA C 21 64.962 65.620 -0.658 1
1 201 . 4 1 1 A 21 21 ILE HA H 21 3.685 3.523 0.162 1
1 202 . 4 1 1 A 21 21 ILE CB C 21 37.895 37.885 0.010 1
1 215 . 4 1 1 A 21 21 ILE C C 21 178.423 177.812 0.611 1
1 216 . 4 1 1 A 22 22 ASP N N 22 120.464 120.819 -0.355 1
1 217 . 4 1 1 A 22 22 ASP H H 22 8.203 8.270 -0.067 1
1 218 . 4 1 1 A 22 22 ASP CA C 22 57.332 57.718 -0.386 1
1 219 . 4 1 1 A 22 22 ASP HA H 22 4.400 4.270 0.130 1
1 220 . 4 1 1 A 22 22 ASP CB C 22 41.023 41.240 -0.217 1
1 223 . 4 1 1 A 22 22 ASP C C 22 179.117 178.051 1.066 1
1 224 . 4 1 1 A 23 23 ALA N N 23 123.634 120.534 3.100 1
1 225 . 4 1 1 A 23 23 ALA H H 23 8.819 7.905 0.914 1
1 226 . 4 1 1 A 23 23 ALA CA C 23 55.058 54.691 0.367 1
1 227 . 4 1 1 A 23 23 ALA HA H 23 3.050 3.671 -0.621 1
1 228 . 4 1 1 A 23 23 ALA CB C 23 20.405 18.183 2.222 1
1 232 . 4 1 1 A 23 23 ALA C C 23 179.042 179.684 -0.642 1
1 233 . 4 1 1 A 24 24 CYS N N 24 115.941 116.076 -0.135 1
1 234 . 4 1 1 A 24 24 CYS H H 24 8.227 8.212 0.015 1
1 235 . 4 1 1 A 24 24 CYS CA C 24 63.657 63.043 0.614 1
1 236 . 4 1 1 A 24 24 CYS HA H 24 3.524 3.764 -0.240 1
1 237 . 4 1 1 A 24 24 CYS CB C 24 27.165 26.782 0.383 1
1 240 . 4 1 1 A 24 24 CYS C C 24 177.855 176.172 1.683 1
1 241 . 4 1 1 A 25 25 GLU N N 25 118.624 118.871 -0.247 1
1 242 . 4 1 1 A 25 25 GLU H H 25 8.262 7.681 0.581 1
1 243 . 4 1 1 A 25 25 GLU CA C 25 58.829 58.048 0.781 1
1 244 . 4 1 1 A 25 25 GLU HA H 25 3.974 4.188 -0.214 1
1 245 . 4 1 1 A 25 25 GLU CB C 25 29.896 30.059 -0.163 1
1 251 . 4 1 1 A 25 25 GLU C C 25 178.082 178.825 -0.743 1
1 252 . 4 1 1 A 26 26 THR N N 26 113.708 117.524 -3.816 1
1 253 . 4 1 1 A 26 26 THR H H 26 8.046 8.320 -0.274 1
1 254 . 4 1 1 A 26 26 THR CA C 26 65.448 66.391 -0.943 1
1 255 . 4 1 1 A 26 26 THR HA H 26 4.003 3.886 0.117 1
1 256 . 4 1 1 A 26 26 THR CB C 26 69.475 68.526 0.949 1
1 262 . 4 1 1 A 26 26 THR C C 26 175.986 176.302 -0.316 1
1 263 . 4 1 1 A 27 27 LEU N N 27 119.789 118.670 1.119 1
1 264 . 4 1 1 A 27 27 LEU H H 27 8.609 7.756 0.853 1
1 265 . 4 1 1 A 27 27 LEU CA C 27 55.566 56.551 -0.985 1
1 266 . 4 1 1 A 27 27 LEU HA H 27 4.238 3.972 0.266 1
1 267 . 4 1 1 A 27 27 LEU CB C 27 42.130 42.558 -0.428 1
1 280 . 4 1 1 A 27 27 LEU C C 27 179.075 177.506 1.569 1
1 281 . 4 1 1 A 28 28 GLY N N 28 107.009 105.961 1.048 1
1 282 . 4 1 1 A 28 28 GLY H H 28 6.965 7.844 -0.879 1
1 283 . 4 1 1 A 28 28 GLY CA C 28 44.545 44.426 0.119 1
1 284 . 4 1 1 A 28 28 GLY HA2 H 28 4.057 3.909 0.148 1
1 285 . 4 1 1 A 28 28 GLY HA3 H 28 3.664 3.941 -0.277 1
1 286 . 4 1 1 A 28 28 GLY C C 28 173.046 174.831 -1.785 1
1 287 . 4 1 1 A 29 29 LEU N N 29 117.364 122.303 -4.939 1
1 288 . 4 1 1 A 29 29 LEU H H 29 7.960 8.536 -0.576 1
1 289 . 4 1 1 A 29 29 LEU CA C 29 54.626 57.181 -2.555 1
1 290 . 4 1 1 A 29 29 LEU HA H 29 3.487 3.183 0.304 1
1 291 . 4 1 1 A 29 29 LEU CB C 29 40.949 40.851 0.098 1
1 304 . 4 1 1 A 29 29 LEU C C 29 177.460 178.839 -1.379 1
1 305 . 4 1 1 A 30 30 GLY N N 30 106.469 106.745 -0.276 1
1 306 . 4 1 1 A 30 30 GLY H H 30 7.503 7.889 -0.386 1
1 307 . 4 1 1 A 30 30 GLY CA C 30 46.003 47.018 -1.015 1
1 308 . 4 1 1 A 30 30 GLY HA2 H 30 3.781 3.787 -0.006 1
1 309 . 4 1 1 A 30 30 GLY HA3 H 30 3.638 3.799 -0.161 1
1 310 . 4 1 1 A 30 30 GLY C C 30 174.269 174.532 -0.263 1
1 311 . 4 1 1 A 31 31 ASN N N 31 117.981 117.097 0.884 1
1 312 . 4 1 1 A 31 31 ASN H H 31 7.643 7.404 0.239 1
1 313 . 4 1 1 A 31 31 ASN CA C 31 52.135 51.796 0.339 1
1 314 . 4 1 1 A 31 31 ASN HA H 31 4.899 4.936 -0.037 1
1 315 . 4 1 1 A 31 31 ASN CB C 31 38.492 38.686 -0.194 1
1 321 . 4 1 1 A 31 31 ASN C C 31 176.436 175.350 1.086 1
1 322 . 4 1 1 A 32 32 TRP N N 32 124.932 124.003 0.929 1
1 323 . 4 1 1 A 32 32 TRP H H 32 8.638 8.216 0.422 1
1 324 . 4 1 1 A 32 32 TRP CA C 32 60.578 59.960 0.618 1
1 325 . 4 1 1 A 32 32 TRP HA H 32 4.257 4.278 -0.021 1
1 326 . 4 1 1 A 32 32 TRP CB C 32 29.185 29.236 -0.051 1
1 341 . 4 1 1 A 32 32 TRP C C 32 177.477 178.467 -0.990 1
1 342 . 4 1 1 A 33 33 ALA N N 33 123.791 122.102 1.689 1
1 343 . 4 1 1 A 33 33 ALA H H 33 8.522 8.314 0.208 1
1 344 . 4 1 1 A 33 33 ALA CA C 33 55.609 55.358 0.251 1
1 345 . 4 1 1 A 33 33 ALA HA H 33 4.245 4.140 0.105 1
1 346 . 4 1 1 A 33 33 ALA CB C 33 17.931 18.555 -0.624 1
1 350 . 4 1 1 A 33 33 ALA C C 33 179.868 179.721 0.147 1
1 351 . 4 1 1 A 34 34 ASP N N 34 118.553 117.764 0.789 1
1 352 . 4 1 1 A 34 34 ASP H H 34 7.463 7.692 -0.229 1
1 353 . 4 1 1 A 34 34 ASP CA C 34 56.937 57.149 -0.212 1
1 354 . 4 1 1 A 34 34 ASP HA H 34 4.378 4.569 -0.191 1
1 355 . 4 1 1 A 34 34 ASP CB C 34 40.089 40.913 -0.824 1
1 358 . 4 1 1 A 34 34 ASP C C 34 179.385 178.880 0.505 1
1 359 . 4 1 1 A 35 35 ILE N N 35 121.343 120.072 1.271 1
1 360 . 4 1 1 A 35 35 ILE H H 35 7.308 7.604 -0.296 1
1 361 . 4 1 1 A 35 35 ILE CA C 35 64.900 64.956 -0.056 1
1 362 . 4 1 1 A 35 35 ILE HA H 35 3.528 4.199 -0.671 1
1 363 . 4 1 1 A 35 35 ILE CB C 35 37.842 37.241 0.601 1
1 376 . 4 1 1 A 35 35 ILE C C 35 176.832 178.093 -1.261 1
1 377 . 4 1 1 A 36 36 ALA N N 36 122.328 122.447 -0.119 1
1 378 . 4 1 1 A 36 36 ALA H H 36 8.446 8.932 -0.486 1
1 379 . 4 1 1 A 36 36 ALA CA C 36 55.724 56.027 -0.303 1
1 380 . 4 1 1 A 36 36 ALA HA H 36 4.281 4.173 0.108 1
1 381 . 4 1 1 A 36 36 ALA CB C 36 17.153 18.268 -1.115 1
1 385 . 4 1 1 A 36 36 ALA C C 36 181.002 179.070 1.932 1
1 386 . 4 1 1 A 37 37 ASP N N 37 119.092 118.570 0.522 1
1 387 . 4 1 1 A 37 37 ASP H H 37 7.997 7.747 0.250 1
1 388 . 4 1 1 A 37 37 ASP CA C 37 57.105 57.033 0.072 1
1 389 . 4 1 1 A 37 37 ASP HA H 37 4.392 4.455 -0.063 1
1 390 . 4 1 1 A 37 37 ASP CB C 37 40.808 41.232 -0.424 1
1 393 . 4 1 1 A 37 37 ASP C C 37 177.292 178.099 -0.807 1
1 394 . 4 1 1 A 38 38 TYR N N 38 121.825 121.015 0.810 1
1 395 . 4 1 1 A 38 38 TYR H H 38 7.648 7.855 -0.207 1
1 396 . 4 1 1 A 38 38 TYR CA C 38 60.838 61.110 -0.272 1
1 397 . 4 1 1 A 38 38 TYR HA H 38 4.046 4.216 -0.170 1
1 398 . 4 1 1 A 38 38 TYR CB C 38 39.411 38.728 0.683 1
1 409 . 4 1 1 A 38 38 TYR C C 38 177.306 177.220 0.086 1
1 410 . 4 1 1 A 39 39 VAL N N 39 118.437 119.048 -0.611 1
1 411 . 4 1 1 A 39 39 VAL H H 39 8.306 8.407 -0.101 1
1 412 . 4 1 1 A 39 39 VAL CA C 39 65.398 65.556 -0.158 1
1 413 . 4 1 1 A 39 39 VAL HA H 39 3.707 3.929 -0.222 1
1 414 . 4 1 1 A 39 39 VAL CB C 39 32.833 32.109 0.724 1
1 424 . 4 1 1 A 39 39 VAL C C 39 177.244 177.045 0.199 1
1 425 . 4 1 1 A 40 40 GLY N N 40 105.738 109.243 -3.505 1
1 426 . 4 1 1 A 40 40 GLY H H 40 8.117 7.973 0.144 1
1 427 . 4 1 1 A 40 40 GLY CA C 40 45.890 46.385 -0.495 1
1 428 . 4 1 1 A 40 40 GLY HA2 H 40 3.896 3.906 -0.010 1
1 429 . 4 1 1 A 40 40 GLY HA3 H 40 3.694 3.924 -0.230 1
1 430 . 4 1 1 A 40 40 GLY C C 40 173.930 175.056 -1.126 1
1 431 . 4 1 1 A 41 41 ASN N N 41 116.713 120.228 -3.515 1
1 432 . 4 1 1 A 41 41 ASN H H 41 8.620 9.071 -0.451 1
1 433 . 4 1 1 A 41 41 ASN CA C 41 54.192 54.441 -0.249 1
1 434 . 4 1 1 A 41 41 ASN HA H 41 4.253 4.299 -0.046 1
1 435 . 4 1 1 A 41 41 ASN CB C 41 38.370 36.771 1.599 1
1 441 . 4 1 1 A 41 41 ASN C C 41 173.935 174.524 -0.589 1
1 442 . 4 1 1 A 42 42 ALA N N 42 115.074 113.278 1.796 1
1 443 . 4 1 1 A 42 42 ALA H H 42 8.425 8.237 0.188 1
1 444 . 4 1 1 A 42 42 ALA CA C 42 52.968 53.342 -0.374 1
1 445 . 4 1 1 A 42 42 ALA HA H 42 3.876 3.841 0.035 1
1 446 . 4 1 1 A 42 42 ALA CB C 42 17.871 17.536 0.335 1
1 450 . 4 1 1 A 42 42 ALA C C 42 177.531 176.077 1.454 1
1 451 . 4 1 1 A 43 43 ARG N N 43 119.427 115.971 3.456 1
1 452 . 4 1 1 A 43 43 ARG H H 43 7.773 7.446 0.327 1
1 453 . 4 1 1 A 43 43 ARG CA C 43 54.411 54.046 0.365 1
1 454 . 4 1 1 A 43 43 ARG HA H 43 4.447 4.998 -0.551 1
1 455 . 4 1 1 A 43 43 ARG CB C 43 30.954 33.921 -2.967 1
1 466 . 4 1 1 A 43 43 ARG C C 43 177.734 174.287 3.447 1
1 467 . 4 1 1 A 44 44 THR N N 44 113.165 113.774 -0.609 1
1 468 . 4 1 1 A 44 44 THR H H 44 8.918 8.561 0.357 1
1 469 . 4 1 1 A 44 44 THR CA C 44 60.337 60.630 -0.293 1
1 470 . 4 1 1 A 44 44 THR HA H 44 4.625 4.952 -0.327 1
1 471 . 4 1 1 A 44 44 THR CB C 44 72.316 70.163 2.153 1
1 477 . 4 1 1 A 44 44 THR C C 44 177.134 174.462 2.672 1
1 478 . 4 1 1 A 45 45 LYS N N 45 121.142 124.650 -3.508 1
1 479 . 4 1 1 A 45 45 LYS H H 45 9.432 8.829 0.603 1
1 480 . 4 1 1 A 45 45 LYS CA C 45 59.938 59.254 0.684 1
1 481 . 4 1 1 A 45 45 LYS HA H 45 4.137 4.108 0.029 1
1 482 . 4 1 1 A 45 45 LYS CB C 45 32.188 32.008 0.180 1
1 494 . 4 1 1 A 45 45 LYS C C 45 177.330 177.946 -0.616 1
1 495 . 4 1 1 A 46 46 GLU N N 46 120.446 119.698 0.748 1
1 496 . 4 1 1 A 46 46 GLU H H 46 8.577 8.756 -0.179 1
1 497 . 4 1 1 A 46 46 GLU CA C 46 61.051 59.281 1.770 1
1 498 . 4 1 1 A 46 46 GLU HA H 46 3.716 3.968 -0.252 1
1 499 . 4 1 1 A 46 46 GLU CB C 46 28.270 29.226 -0.956 1
1 505 . 4 1 1 A 46 46 GLU C C 46 178.200 179.057 -0.857 1
1 506 . 4 1 1 A 47 47 GLU N N 47 119.411 119.105 0.306 1
1 507 . 4 1 1 A 47 47 GLU H H 47 7.874 8.230 -0.356 1
1 508 . 4 1 1 A 47 47 GLU CA C 47 59.209 59.071 0.138 1
1 509 . 4 1 1 A 47 47 GLU HA H 47 4.139 4.217 -0.078 1
1 510 . 4 1 1 A 47 47 GLU CB C 47 30.970 30.292 0.678 1
1 516 . 4 1 1 A 47 47 GLU C C 47 180.380 179.038 1.342 1
1 517 . 4 1 1 A 48 48 CYS N N 48 117.778 119.010 -1.232 1
1 518 . 4 1 1 A 48 48 CYS H H 48 8.354 8.582 -0.228 1
1 519 . 4 1 1 A 48 48 CYS CA C 48 65.002 63.289 1.713 1
1 520 . 4 1 1 A 48 48 CYS HA H 48 4.331 4.379 -0.048 1
1 521 . 4 1 1 A 48 48 CYS CB C 48 27.262 27.413 -0.151 1
1 524 . 4 1 1 A 48 48 CYS C C 48 174.443 177.154 -2.711 1
1 525 . 4 1 1 A 49 49 ARG N N 49 121.012 121.027 -0.015 1
1 526 . 4 1 1 A 49 49 ARG H H 49 7.364 7.681 -0.317 1
1 527 . 4 1 1 A 49 49 ARG CA C 49 58.352 58.471 -0.119 1
1 528 . 4 1 1 A 49 49 ARG HA H 49 1.940 1.860 0.080 1
1 529 . 4 1 1 A 49 49 ARG CB C 49 29.691 29.349 0.342 1
1 538 . 4 1 1 A 49 49 ARG C C 49 177.306 177.823 -0.517 1
1 539 . 4 1 1 A 50 50 ASP N N 50 116.931 118.100 -1.169 1
1 540 . 4 1 1 A 50 50 ASP H H 50 8.183 8.087 0.096 1
1 541 . 4 1 1 A 50 50 ASP CA C 50 57.267 57.286 -0.019 1
1 542 . 4 1 1 A 50 50 ASP HA H 50 4.170 4.178 -0.008 1
1 543 . 4 1 1 A 50 50 ASP CB C 50 40.569 40.384 0.185 1
1 546 . 4 1 1 A 50 50 ASP C C 50 178.695 178.900 -0.205 1
1 547 . 4 1 1 A 51 51 HIS N N 51 116.759 120.089 -3.330 1
1 548 . 4 1 1 A 51 51 HIS H H 51 8.276 8.447 -0.171 1
1 549 . 4 1 1 A 51 51 HIS CA C 51 59.374 58.982 0.392 1
1 550 . 4 1 1 A 51 51 HIS HA H 51 3.986 4.206 -0.220 1
1 551 . 4 1 1 A 51 51 HIS CB C 51 28.534 29.561 -1.027 1
1 558 . 4 1 1 A 51 51 HIS C C 51 177.514 176.634 0.880 1
1 559 . 4 1 1 A 52 52 TYR N N 52 121.013 119.856 1.157 1
1 560 . 4 1 1 A 52 52 TYR H H 52 8.364 7.681 0.683 1
1 561 . 4 1 1 A 52 52 TYR CA C 52 62.363 61.358 1.005 1
1 562 . 4 1 1 A 52 52 TYR HA H 52 3.951 3.966 -0.015 1
1 563 . 4 1 1 A 52 52 TYR CB C 52 39.610 38.406 1.204 1
1 574 . 4 1 1 A 52 52 TYR C C 52 177.492 177.462 0.030 1
1 575 . 4 1 1 A 53 53 LEU N N 53 117.616 119.222 -1.606 1
1 576 . 4 1 1 A 53 53 LEU H H 53 8.354 8.019 0.335 1
1 577 . 4 1 1 A 53 53 LEU CA C 53 57.261 56.666 0.595 1
1 578 . 4 1 1 A 53 53 LEU HA H 53 3.985 4.310 -0.325 1
1 579 . 4 1 1 A 53 53 LEU CB C 53 41.403 41.709 -0.306 1
1 592 . 4 1 1 A 53 53 LEU C C 53 178.921 177.687 1.234 1
1 593 . 4 1 1 A 54 54 LYS N N 54 116.037 116.818 -0.781 1
1 594 . 4 1 1 A 54 54 LYS H H 54 7.468 7.722 -0.254 1
1 595 . 4 1 1 A 54 54 LYS CA C 54 57.859 57.300 0.559 1
1 596 . 4 1 1 A 54 54 LYS HA H 54 4.006 4.379 -0.373 1
1 597 . 4 1 1 A 54 54 LYS CB C 54 32.668 33.837 -1.169 1
1 609 . 4 1 1 A 54 54 LYS C C 54 177.318 178.426 -1.108 1
1 610 . 4 1 1 A 55 55 THR N N 55 111.885 116.722 -4.837 1
1 611 . 4 1 1 A 55 55 THR H H 55 7.259 7.573 -0.314 1
1 612 . 4 1 1 A 55 55 THR CA C 55 63.882 65.592 -1.710 1
1 613 . 4 1 1 A 55 55 THR HA H 55 3.864 3.970 -0.106 1
1 614 . 4 1 1 A 55 55 THR CB C 55 69.759 69.115 0.644 1
1 620 . 4 1 1 A 55 55 THR C C 55 174.423 175.916 -1.493 1
1 621 . 4 1 1 A 56 56 TYR N N 56 120.015 118.767 1.248 1
1 622 . 4 1 1 A 56 56 TYR H H 56 7.767 7.953 -0.186 1
1 623 . 4 1 1 A 56 56 TYR CA C 56 58.699 60.714 -2.015 1
1 624 . 4 1 1 A 56 56 TYR HA H 56 4.388 4.127 0.261 1
1 625 . 4 1 1 A 56 56 TYR CB C 56 38.568 37.942 0.626 1
1 636 . 4 1 1 A 56 56 TYR C C 56 175.031 178.124 -3.093 1
1 637 . 4 1 1 A 57 57 ILE N N 57 121.611 120.002 1.609 1
1 638 . 4 1 1 A 57 57 ILE H H 57 7.376 8.162 -0.786 1
1 639 . 4 1 1 A 57 57 ILE CA C 57 60.560 65.211 -4.651 1
1 640 . 4 1 1 A 57 57 ILE HA H 57 4.155 3.740 0.415 1
1 641 . 4 1 1 A 57 57 ILE CB C 57 38.585 38.109 0.476 1
1 654 . 4 1 1 A 57 57 ILE C C 57 175.122 178.439 -3.317 1
1 1 . 5 1 1 A 3 3 SER CA C 3 58.574 56.416 2.158 1
1 2 . 5 1 1 A 3 3 SER HA H 3 4.477 4.757 -0.280 1
1 3 . 5 1 1 A 3 3 SER CB C 3 63.686 65.668 -1.982 1
1 5 . 5 1 1 A 3 3 SER C C 3 175.067 174.038 1.029 1
1 6 . 5 1 1 A 4 4 GLY N N 4 111.014 114.996 -3.982 1
1 7 . 5 1 1 A 4 4 GLY H H 4 8.466 8.563 -0.097 1
1 8 . 5 1 1 A 4 4 GLY CA C 4 45.338 45.733 -0.395 1
1 9 . 5 1 1 A 4 4 GLY HA2 H 4 4.006 3.940 0.066 1
1 10 . 5 1 1 A 4 4 GLY C C 4 174.344 174.235 0.109 1
1 11 . 5 1 1 A 5 5 SER N N 5 115.891 118.440 -2.549 1
1 12 . 5 1 1 A 5 5 SER H H 5 8.294 8.374 -0.080 1
1 13 . 5 1 1 A 5 5 SER CA C 5 58.277 58.882 -0.605 1
1 14 . 5 1 1 A 5 5 SER HA H 5 4.499 4.235 0.264 1
1 15 . 5 1 1 A 5 5 SER CB C 5 63.850 63.336 0.514 1
1 17 . 5 1 1 A 5 5 SER C C 5 174.840 174.060 0.780 1
1 18 . 5 1 1 A 6 6 SER N N 6 117.946 120.923 -2.977 1
1 19 . 5 1 1 A 6 6 SER H H 6 8.479 8.326 0.153 1
1 20 . 5 1 1 A 6 6 SER CA C 6 58.632 57.016 1.616 1
1 21 . 5 1 1 A 6 6 SER HA H 6 4.427 5.055 -0.628 1
1 22 . 5 1 1 A 6 6 SER CB C 6 63.855 64.620 -0.765 1
1 24 . 5 1 1 A 6 6 SER C C 6 174.852 173.946 0.906 1
1 25 . 5 1 1 A 7 7 GLY N N 7 110.490 108.475 2.015 1
1 26 . 5 1 1 A 7 7 GLY H H 7 8.354 8.092 0.262 1
1 27 . 5 1 1 A 7 7 GLY CA C 7 45.231 45.782 -0.551 1
1 28 . 5 1 1 A 7 7 GLY HA2 H 7 3.836 3.983 -0.147 1
1 29 . 5 1 1 A 7 7 GLY HA3 H 7 3.898 4.061 -0.163 1
1 30 . 5 1 1 A 7 7 GLY C C 7 173.829 174.412 -0.583 1
1 31 . 5 1 1 A 8 8 PHE N N 8 119.865 121.564 -1.699 1
1 32 . 5 1 1 A 8 8 PHE H H 8 8.094 8.763 -0.669 1
1 33 . 5 1 1 A 8 8 PHE CA C 8 57.501 59.172 -1.671 1
1 34 . 5 1 1 A 8 8 PHE HA H 8 4.666 4.349 0.317 1
1 35 . 5 1 1 A 8 8 PHE CB C 8 39.743 39.050 0.693 1
1 48 . 5 1 1 A 8 8 PHE C C 8 175.564 175.742 -0.178 1
1 49 . 5 1 1 A 9 9 ASP N N 9 122.084 117.730 4.354 1
1 50 . 5 1 1 A 9 9 ASP H H 9 8.516 8.059 0.457 1
1 51 . 5 1 1 A 9 9 ASP CA C 9 54.372 53.543 0.829 1
1 52 . 5 1 1 A 9 9 ASP HA H 9 4.599 5.016 -0.417 1
1 53 . 5 1 1 A 9 9 ASP CB C 9 41.429 42.197 -0.768 1
1 56 . 5 1 1 A 9 9 ASP C C 9 176.168 174.649 1.519 1
1 57 . 5 1 1 A 10 10 GLU N N 10 121.747 125.663 -3.916 1
1 58 . 5 1 1 A 10 10 GLU H H 10 8.489 8.954 -0.465 1
1 59 . 5 1 1 A 10 10 GLU CA C 10 56.705 55.005 1.700 1
1 60 . 5 1 1 A 10 10 GLU HA H 10 4.359 4.607 -0.248 1
1 61 . 5 1 1 A 10 10 GLU CB C 10 30.039 28.056 1.983 1
1 67 . 5 1 1 A 10 10 GLU C C 10 176.584 176.242 0.342 1
1 68 . 5 1 1 A 11 11 ASN N N 11 119.867 122.311 -2.444 1
1 69 . 5 1 1 A 11 11 ASN H H 11 8.479 8.051 0.428 1
1 70 . 5 1 1 A 11 11 ASN CA C 11 53.332 55.337 -2.005 1
1 71 . 5 1 1 A 11 11 ASN HA H 11 4.791 4.886 -0.095 1
1 72 . 5 1 1 A 11 11 ASN CB C 11 38.906 39.256 -0.350 1
1 78 . 5 1 1 A 11 11 ASN C C 11 175.284 176.486 -1.202 1
1 79 . 5 1 1 A 12 12 TRP N N 12 124.246 119.522 4.724 1
1 80 . 5 1 1 A 12 12 TRP H H 12 8.819 8.146 0.673 1
1 81 . 5 1 1 A 12 12 TRP CA C 12 57.447 57.832 -0.385 1
1 82 . 5 1 1 A 12 12 TRP HA H 12 4.338 4.632 -0.294 1
1 83 . 5 1 1 A 12 12 TRP CB C 12 29.096 30.194 -1.098 1
1 98 . 5 1 1 A 12 12 TRP C C 12 177.403 176.471 0.932 1
1 99 . 5 1 1 A 13 13 GLY N N 13 112.578 108.523 4.055 1
1 100 . 5 1 1 A 13 13 GLY H H 13 9.662 8.763 0.899 1
1 101 . 5 1 1 A 13 13 GLY CA C 13 44.383 44.124 0.259 1
1 102 . 5 1 1 A 13 13 GLY HA2 H 13 4.315 4.472 -0.157 1
1 103 . 5 1 1 A 13 13 GLY HA3 H 13 3.989 4.508 -0.519 1
1 104 . 5 1 1 A 13 13 GLY C C 13 174.443 175.070 -0.627 1
1 105 . 5 1 1 A 14 14 ALA N N 14 124.409 124.838 -0.429 1
1 106 . 5 1 1 A 14 14 ALA H H 14 8.805 9.310 -0.505 1
1 107 . 5 1 1 A 14 14 ALA CA C 14 55.635 54.780 0.855 1
1 108 . 5 1 1 A 14 14 ALA HA H 14 4.225 4.091 0.134 1
1 109 . 5 1 1 A 14 14 ALA CB C 14 18.565 18.325 0.240 1
1 113 . 5 1 1 A 14 14 ALA C C 14 180.546 179.569 0.977 1
1 114 . 5 1 1 A 15 15 ASP N N 15 115.685 118.391 -2.706 1
1 115 . 5 1 1 A 15 15 ASP H H 15 8.825 8.137 0.688 1
1 116 . 5 1 1 A 15 15 ASP CA C 15 56.775 57.370 -0.595 1
1 117 . 5 1 1 A 15 15 ASP HA H 15 4.416 4.401 0.015 1
1 118 . 5 1 1 A 15 15 ASP CB C 15 39.188 40.404 -1.216 1
1 121 . 5 1 1 A 15 15 ASP C C 15 178.981 178.918 0.063 1
1 122 . 5 1 1 A 16 16 GLU N N 16 121.445 117.845 3.600 1
1 123 . 5 1 1 A 16 16 GLU H H 16 7.772 8.551 -0.779 1
1 124 . 5 1 1 A 16 16 GLU CA C 16 59.380 58.649 0.731 1
1 125 . 5 1 1 A 16 16 GLU HA H 16 4.203 4.269 -0.066 1
1 126 . 5 1 1 A 16 16 GLU CB C 16 30.556 28.201 2.355 1
1 132 . 5 1 1 A 16 16 GLU C C 16 178.517 178.670 -0.153 1
1 133 . 5 1 1 A 17 17 GLU N N 17 118.709 119.604 -0.895 1
1 134 . 5 1 1 A 17 17 GLU H H 17 8.363 8.679 -0.316 1
1 135 . 5 1 1 A 17 17 GLU CA C 17 59.820 59.290 0.530 1
1 136 . 5 1 1 A 17 17 GLU HA H 17 4.429 4.488 -0.059 1
1 137 . 5 1 1 A 17 17 GLU CB C 17 29.774 29.792 -0.018 1
1 143 . 5 1 1 A 17 17 GLU C C 17 179.029 179.281 -0.252 1
1 144 . 5 1 1 A 18 18 LEU N N 18 118.004 122.273 -4.269 1
1 145 . 5 1 1 A 18 18 LEU H H 18 7.650 8.111 -0.461 1
1 146 . 5 1 1 A 18 18 LEU CA C 18 58.128 57.735 0.393 1
1 147 . 5 1 1 A 18 18 LEU HA H 18 4.212 4.213 -0.001 1
1 148 . 5 1 1 A 18 18 LEU CB C 18 41.700 41.948 -0.248 1
1 161 . 5 1 1 A 18 18 LEU C C 18 179.871 178.464 1.407 1
1 162 . 5 1 1 A 19 19 LEU N N 19 119.600 118.537 1.063 1
1 163 . 5 1 1 A 19 19 LEU H H 19 7.783 8.166 -0.383 1
1 164 . 5 1 1 A 19 19 LEU CA C 19 58.106 58.187 -0.081 1
1 165 . 5 1 1 A 19 19 LEU HA H 19 4.390 4.203 0.187 1
1 166 . 5 1 1 A 19 19 LEU CB C 19 43.169 42.127 1.042 1
1 179 . 5 1 1 A 19 19 LEU C C 19 178.634 179.055 -0.421 1
1 180 . 5 1 1 A 20 20 LEU N N 20 120.243 119.525 0.718 1
1 181 . 5 1 1 A 20 20 LEU H H 20 8.364 7.868 0.496 1
1 182 . 5 1 1 A 20 20 LEU CA C 20 58.390 58.595 -0.205 1
1 183 . 5 1 1 A 20 20 LEU HA H 20 4.083 4.132 -0.049 1
1 184 . 5 1 1 A 20 20 LEU CB C 20 42.005 42.332 -0.327 1
1 197 . 5 1 1 A 20 20 LEU C C 20 178.135 178.509 -0.374 1
1 198 . 5 1 1 A 21 21 ILE N N 21 119.379 119.675 -0.296 1
1 199 . 5 1 1 A 21 21 ILE H H 21 8.133 8.265 -0.132 1
1 200 . 5 1 1 A 21 21 ILE CA C 21 64.962 65.677 -0.715 1
1 201 . 5 1 1 A 21 21 ILE HA H 21 3.685 3.617 0.068 1
1 202 . 5 1 1 A 21 21 ILE CB C 21 37.895 38.159 -0.264 1
1 215 . 5 1 1 A 21 21 ILE C C 21 178.423 177.894 0.529 1
1 216 . 5 1 1 A 22 22 ASP N N 22 120.464 120.541 -0.077 1
1 217 . 5 1 1 A 22 22 ASP H H 22 8.203 8.584 -0.381 1
1 218 . 5 1 1 A 22 22 ASP CA C 22 57.332 57.585 -0.253 1
1 219 . 5 1 1 A 22 22 ASP HA H 22 4.400 4.297 0.103 1
1 220 . 5 1 1 A 22 22 ASP CB C 22 41.023 40.371 0.652 1
1 223 . 5 1 1 A 22 22 ASP C C 22 179.117 178.677 0.440 1
1 224 . 5 1 1 A 23 23 ALA N N 23 123.634 122.057 1.577 1
1 225 . 5 1 1 A 23 23 ALA H H 23 8.819 8.192 0.627 1
1 226 . 5 1 1 A 23 23 ALA CA C 23 55.058 54.711 0.347 1
1 227 . 5 1 1 A 23 23 ALA HA H 23 3.050 3.714 -0.664 1
1 228 . 5 1 1 A 23 23 ALA CB C 23 20.405 18.230 2.175 1
1 232 . 5 1 1 A 23 23 ALA C C 23 179.042 179.251 -0.209 1
1 233 . 5 1 1 A 24 24 CYS N N 24 115.941 117.746 -1.805 1
1 234 . 5 1 1 A 24 24 CYS H H 24 8.227 8.007 0.220 1
1 235 . 5 1 1 A 24 24 CYS CA C 24 63.657 62.596 1.061 1
1 236 . 5 1 1 A 24 24 CYS HA H 24 3.524 3.640 -0.116 1
1 237 . 5 1 1 A 24 24 CYS CB C 24 27.165 26.554 0.611 1
1 240 . 5 1 1 A 24 24 CYS C C 24 177.855 176.391 1.464 1
1 241 . 5 1 1 A 25 25 GLU N N 25 118.624 119.283 -0.659 1
1 242 . 5 1 1 A 25 25 GLU H H 25 8.262 7.692 0.570 1
1 243 . 5 1 1 A 25 25 GLU CA C 25 58.829 58.077 0.752 1
1 244 . 5 1 1 A 25 25 GLU HA H 25 3.974 4.211 -0.237 1
1 245 . 5 1 1 A 25 25 GLU CB C 25 29.896 30.075 -0.179 1
1 251 . 5 1 1 A 25 25 GLU C C 25 178.082 178.991 -0.909 1
1 252 . 5 1 1 A 26 26 THR N N 26 113.708 117.561 -3.853 1
1 253 . 5 1 1 A 26 26 THR H H 26 8.046 8.078 -0.032 1
1 254 . 5 1 1 A 26 26 THR CA C 26 65.448 66.148 -0.700 1
1 255 . 5 1 1 A 26 26 THR HA H 26 4.003 3.923 0.080 1
1 256 . 5 1 1 A 26 26 THR CB C 26 69.475 68.664 0.811 1
1 262 . 5 1 1 A 26 26 THR C C 26 175.986 176.178 -0.192 1
1 263 . 5 1 1 A 27 27 LEU N N 27 119.789 118.562 1.227 1
1 264 . 5 1 1 A 27 27 LEU H H 27 8.609 7.668 0.941 1
1 265 . 5 1 1 A 27 27 LEU CA C 27 55.566 56.493 -0.927 1
1 266 . 5 1 1 A 27 27 LEU HA H 27 4.238 3.953 0.285 1
1 267 . 5 1 1 A 27 27 LEU CB C 27 42.130 42.501 -0.371 1
1 280 . 5 1 1 A 27 27 LEU C C 27 179.075 177.655 1.420 1
1 281 . 5 1 1 A 28 28 GLY N N 28 107.009 106.012 0.997 1
1 282 . 5 1 1 A 28 28 GLY H H 28 6.965 8.034 -1.069 1
1 283 . 5 1 1 A 28 28 GLY CA C 28 44.545 44.431 0.114 1
1 284 . 5 1 1 A 28 28 GLY HA2 H 28 4.057 3.898 0.159 1
1 285 . 5 1 1 A 28 28 GLY HA3 H 28 3.664 3.932 -0.268 1
1 286 . 5 1 1 A 28 28 GLY C C 28 173.046 174.913 -1.867 1
1 287 . 5 1 1 A 29 29 LEU N N 29 117.364 123.953 -6.589 1
1 288 . 5 1 1 A 29 29 LEU H H 29 7.960 8.518 -0.558 1
1 289 . 5 1 1 A 29 29 LEU CA C 29 54.626 57.132 -2.506 1
1 290 . 5 1 1 A 29 29 LEU HA H 29 3.487 3.081 0.406 1
1 291 . 5 1 1 A 29 29 LEU CB C 29 40.949 41.100 -0.151 1
1 304 . 5 1 1 A 29 29 LEU C C 29 177.460 178.819 -1.359 1
1 305 . 5 1 1 A 30 30 GLY N N 30 106.469 106.523 -0.054 1
1 306 . 5 1 1 A 30 30 GLY H H 30 7.503 7.967 -0.464 1
1 307 . 5 1 1 A 30 30 GLY CA C 30 46.003 46.928 -0.925 1
1 308 . 5 1 1 A 30 30 GLY HA2 H 30 3.781 3.833 -0.052 1
1 309 . 5 1 1 A 30 30 GLY HA3 H 30 3.638 3.840 -0.202 1
1 310 . 5 1 1 A 30 30 GLY C C 30 174.269 174.539 -0.270 1
1 311 . 5 1 1 A 31 31 ASN N N 31 117.981 116.446 1.535 1
1 312 . 5 1 1 A 31 31 ASN H H 31 7.643 7.784 -0.141 1
1 313 . 5 1 1 A 31 31 ASN CA C 31 52.135 51.838 0.297 1
1 314 . 5 1 1 A 31 31 ASN HA H 31 4.899 4.937 -0.038 1
1 315 . 5 1 1 A 31 31 ASN CB C 31 38.492 38.851 -0.359 1
1 321 . 5 1 1 A 31 31 ASN C C 31 176.436 175.261 1.175 1
1 322 . 5 1 1 A 32 32 TRP N N 32 124.932 123.898 1.034 1
1 323 . 5 1 1 A 32 32 TRP H H 32 8.638 8.248 0.390 1
1 324 . 5 1 1 A 32 32 TRP CA C 32 60.578 60.003 0.575 1
1 325 . 5 1 1 A 32 32 TRP HA H 32 4.257 4.256 0.001 1
1 326 . 5 1 1 A 32 32 TRP CB C 32 29.185 29.161 0.024 1
1 341 . 5 1 1 A 32 32 TRP C C 32 177.477 178.621 -1.144 1
1 342 . 5 1 1 A 33 33 ALA N N 33 123.791 121.862 1.929 1
1 343 . 5 1 1 A 33 33 ALA H H 33 8.522 8.326 0.196 1
1 344 . 5 1 1 A 33 33 ALA CA C 33 55.609 55.378 0.231 1
1 345 . 5 1 1 A 33 33 ALA HA H 33 4.245 4.139 0.106 1
1 346 . 5 1 1 A 33 33 ALA CB C 33 17.931 18.691 -0.760 1
1 350 . 5 1 1 A 33 33 ALA C C 33 179.868 179.658 0.210 1
1 351 . 5 1 1 A 34 34 ASP N N 34 118.553 117.847 0.706 1
1 352 . 5 1 1 A 34 34 ASP H H 34 7.463 7.484 -0.021 1
1 353 . 5 1 1 A 34 34 ASP CA C 34 56.937 57.181 -0.244 1
1 354 . 5 1 1 A 34 34 ASP HA H 34 4.378 4.573 -0.195 1
1 355 . 5 1 1 A 34 34 ASP CB C 34 40.089 41.088 -0.999 1
1 358 . 5 1 1 A 34 34 ASP C C 34 179.385 178.883 0.502 1
1 359 . 5 1 1 A 35 35 ILE N N 35 121.343 120.733 0.610 1
1 360 . 5 1 1 A 35 35 ILE H H 35 7.308 7.684 -0.376 1
1 361 . 5 1 1 A 35 35 ILE CA C 35 64.900 65.385 -0.485 1
1 362 . 5 1 1 A 35 35 ILE HA H 35 3.528 3.972 -0.444 1
1 363 . 5 1 1 A 35 35 ILE CB C 35 37.842 37.511 0.331 1
1 376 . 5 1 1 A 35 35 ILE C C 35 176.832 177.869 -1.037 1
1 377 . 5 1 1 A 36 36 ALA N N 36 122.328 122.058 0.270 1
1 378 . 5 1 1 A 36 36 ALA H H 36 8.446 8.943 -0.497 1
1 379 . 5 1 1 A 36 36 ALA CA C 36 55.724 56.041 -0.317 1
1 380 . 5 1 1 A 36 36 ALA HA H 36 4.281 4.125 0.156 1
1 381 . 5 1 1 A 36 36 ALA CB C 36 17.153 18.300 -1.147 1
1 385 . 5 1 1 A 36 36 ALA C C 36 181.002 179.424 1.578 1
1 386 . 5 1 1 A 37 37 ASP N N 37 119.092 118.509 0.583 1
1 387 . 5 1 1 A 37 37 ASP H H 37 7.997 8.173 -0.176 1
1 388 . 5 1 1 A 37 37 ASP CA C 37 57.105 57.041 0.064 1
1 389 . 5 1 1 A 37 37 ASP HA H 37 4.392 4.457 -0.065 1
1 390 . 5 1 1 A 37 37 ASP CB C 37 40.808 40.990 -0.182 1
1 393 . 5 1 1 A 37 37 ASP C C 37 177.292 178.085 -0.793 1
1 394 . 5 1 1 A 38 38 TYR N N 38 121.825 120.846 0.979 1
1 395 . 5 1 1 A 38 38 TYR H H 38 7.648 8.134 -0.486 1
1 396 . 5 1 1 A 38 38 TYR CA C 38 60.838 61.264 -0.426 1
1 397 . 5 1 1 A 38 38 TYR HA H 38 4.046 4.193 -0.147 1
1 398 . 5 1 1 A 38 38 TYR CB C 38 39.411 38.698 0.713 1
1 409 . 5 1 1 A 38 38 TYR C C 38 177.306 177.236 0.070 1
1 410 . 5 1 1 A 39 39 VAL N N 39 118.437 119.224 -0.787 1
1 411 . 5 1 1 A 39 39 VAL H H 39 8.306 8.487 -0.181 1
1 412 . 5 1 1 A 39 39 VAL CA C 39 65.398 65.181 0.217 1
1 413 . 5 1 1 A 39 39 VAL HA H 39 3.707 3.988 -0.281 1
1 414 . 5 1 1 A 39 39 VAL CB C 39 32.833 32.129 0.704 1
1 424 . 5 1 1 A 39 39 VAL C C 39 177.244 177.061 0.183 1
1 425 . 5 1 1 A 40 40 GLY N N 40 105.738 109.264 -3.526 1
1 426 . 5 1 1 A 40 40 GLY H H 40 8.117 8.016 0.101 1
1 427 . 5 1 1 A 40 40 GLY CA C 40 45.890 46.517 -0.627 1
1 428 . 5 1 1 A 40 40 GLY HA2 H 40 3.896 3.886 0.010 1
1 429 . 5 1 1 A 40 40 GLY HA3 H 40 3.694 3.901 -0.207 1
1 430 . 5 1 1 A 40 40 GLY C C 40 173.930 175.070 -1.140 1
1 431 . 5 1 1 A 41 41 ASN N N 41 116.713 119.725 -3.012 1
1 432 . 5 1 1 A 41 41 ASN H H 41 8.620 9.044 -0.424 1
1 433 . 5 1 1 A 41 41 ASN CA C 41 54.192 54.477 -0.285 1
1 434 . 5 1 1 A 41 41 ASN HA H 41 4.253 4.299 -0.046 1
1 435 . 5 1 1 A 41 41 ASN CB C 41 38.370 36.822 1.548 1
1 441 . 5 1 1 A 41 41 ASN C C 41 173.935 174.531 -0.596 1
1 442 . 5 1 1 A 42 42 ALA N N 42 115.074 113.231 1.843 1
1 443 . 5 1 1 A 42 42 ALA H H 42 8.425 8.230 0.195 1
1 444 . 5 1 1 A 42 42 ALA CA C 42 52.968 53.507 -0.539 1
1 445 . 5 1 1 A 42 42 ALA HA H 42 3.876 3.853 0.023 1
1 446 . 5 1 1 A 42 42 ALA CB C 42 17.871 17.691 0.180 1
1 450 . 5 1 1 A 42 42 ALA C C 42 177.531 176.071 1.460 1
1 451 . 5 1 1 A 43 43 ARG N N 43 119.427 116.320 3.107 1
1 452 . 5 1 1 A 43 43 ARG H H 43 7.773 7.456 0.317 1
1 453 . 5 1 1 A 43 43 ARG CA C 43 54.411 54.024 0.387 1
1 454 . 5 1 1 A 43 43 ARG HA H 43 4.447 4.955 -0.508 1
1 455 . 5 1 1 A 43 43 ARG CB C 43 30.954 33.801 -2.847 1
1 466 . 5 1 1 A 43 43 ARG C C 43 177.734 174.331 3.403 1
1 467 . 5 1 1 A 44 44 THR N N 44 113.165 114.011 -0.846 1
1 468 . 5 1 1 A 44 44 THR H H 44 8.918 8.547 0.371 1
1 469 . 5 1 1 A 44 44 THR CA C 44 60.337 60.511 -0.174 1
1 470 . 5 1 1 A 44 44 THR HA H 44 4.625 4.952 -0.327 1
1 471 . 5 1 1 A 44 44 THR CB C 44 72.316 70.001 2.315 1
1 477 . 5 1 1 A 44 44 THR C C 44 177.134 174.499 2.635 1
1 478 . 5 1 1 A 45 45 LYS N N 45 121.142 124.304 -3.162 1
1 479 . 5 1 1 A 45 45 LYS H H 45 9.432 8.763 0.669 1
1 480 . 5 1 1 A 45 45 LYS CA C 45 59.938 59.267 0.671 1
1 481 . 5 1 1 A 45 45 LYS HA H 45 4.137 4.111 0.026 1
1 482 . 5 1 1 A 45 45 LYS CB C 45 32.188 32.013 0.175 1
1 494 . 5 1 1 A 45 45 LYS C C 45 177.330 178.058 -0.728 1
1 495 . 5 1 1 A 46 46 GLU N N 46 120.446 119.768 0.678 1
1 496 . 5 1 1 A 46 46 GLU H H 46 8.577 8.763 -0.186 1
1 497 . 5 1 1 A 46 46 GLU CA C 46 61.051 59.438 1.613 1
1 498 . 5 1 1 A 46 46 GLU HA H 46 3.716 3.898 -0.182 1
1 499 . 5 1 1 A 46 46 GLU CB C 46 28.270 29.334 -1.064 1
1 505 . 5 1 1 A 46 46 GLU C C 46 178.200 179.070 -0.870 1
1 506 . 5 1 1 A 47 47 GLU N N 47 119.411 119.050 0.361 1
1 507 . 5 1 1 A 47 47 GLU H H 47 7.874 8.144 -0.270 1
1 508 . 5 1 1 A 47 47 GLU CA C 47 59.209 59.078 0.131 1
1 509 . 5 1 1 A 47 47 GLU HA H 47 4.139 4.227 -0.088 1
1 510 . 5 1 1 A 47 47 GLU CB C 47 30.970 30.297 0.673 1
1 516 . 5 1 1 A 47 47 GLU C C 47 180.380 179.029 1.351 1
1 517 . 5 1 1 A 48 48 CYS N N 48 117.778 119.262 -1.484 1
1 518 . 5 1 1 A 48 48 CYS H H 48 8.354 8.657 -0.303 1
1 519 . 5 1 1 A 48 48 CYS CA C 48 65.002 63.449 1.553 1
1 520 . 5 1 1 A 48 48 CYS HA H 48 4.331 4.423 -0.092 1
1 521 . 5 1 1 A 48 48 CYS CB C 48 27.262 27.297 -0.035 1
1 524 . 5 1 1 A 48 48 CYS C C 48 174.443 177.198 -2.755 1
1 525 . 5 1 1 A 49 49 ARG N N 49 121.012 121.404 -0.392 1
1 526 . 5 1 1 A 49 49 ARG H H 49 7.364 7.541 -0.177 1
1 527 . 5 1 1 A 49 49 ARG CA C 49 58.352 58.213 0.139 1
1 528 . 5 1 1 A 49 49 ARG HA H 49 1.940 1.451 0.489 1
1 529 . 5 1 1 A 49 49 ARG CB C 49 29.691 29.142 0.549 1
1 538 . 5 1 1 A 49 49 ARG C C 49 177.306 177.341 -0.035 1
1 539 . 5 1 1 A 50 50 ASP N N 50 116.931 118.854 -1.923 1
1 540 . 5 1 1 A 50 50 ASP H H 50 8.183 8.066 0.117 1
1 541 . 5 1 1 A 50 50 ASP CA C 50 57.267 57.130 0.137 1
1 542 . 5 1 1 A 50 50 ASP HA H 50 4.170 4.202 -0.032 1
1 543 . 5 1 1 A 50 50 ASP CB C 50 40.569 41.892 -1.323 1
1 546 . 5 1 1 A 50 50 ASP C C 50 178.695 178.221 0.474 1
1 547 . 5 1 1 A 51 51 HIS N N 51 116.759 119.699 -2.940 1
1 548 . 5 1 1 A 51 51 HIS H H 51 8.276 8.568 -0.292 1
1 549 . 5 1 1 A 51 51 HIS CA C 51 59.374 59.241 0.133 1
1 550 . 5 1 1 A 51 51 HIS HA H 51 3.986 4.081 -0.095 1
1 551 . 5 1 1 A 51 51 HIS CB C 51 28.534 29.886 -1.352 1
1 558 . 5 1 1 A 51 51 HIS C C 51 177.514 177.127 0.387 1
1 559 . 5 1 1 A 52 52 TYR N N 52 121.013 119.933 1.080 1
1 560 . 5 1 1 A 52 52 TYR H H 52 8.364 7.260 1.104 1
1 561 . 5 1 1 A 52 52 TYR CA C 52 62.363 60.168 2.195 1
1 562 . 5 1 1 A 52 52 TYR HA H 52 3.951 3.987 -0.036 1
1 563 . 5 1 1 A 52 52 TYR CB C 52 39.610 38.820 0.790 1
1 574 . 5 1 1 A 52 52 TYR C C 52 177.492 177.283 0.209 1
1 575 . 5 1 1 A 53 53 LEU N N 53 117.616 119.526 -1.910 1
1 576 . 5 1 1 A 53 53 LEU H H 53 8.354 8.177 0.177 1
1 577 . 5 1 1 A 53 53 LEU CA C 53 57.261 56.548 0.713 1
1 578 . 5 1 1 A 53 53 LEU HA H 53 3.985 4.329 -0.344 1
1 579 . 5 1 1 A 53 53 LEU CB C 53 41.403 41.996 -0.593 1
1 592 . 5 1 1 A 53 53 LEU C C 53 178.921 177.716 1.205 1
1 593 . 5 1 1 A 54 54 LYS N N 54 116.037 116.574 -0.537 1
1 594 . 5 1 1 A 54 54 LYS H H 54 7.468 7.869 -0.401 1
1 595 . 5 1 1 A 54 54 LYS CA C 54 57.859 57.189 0.670 1
1 596 . 5 1 1 A 54 54 LYS HA H 54 4.006 4.456 -0.450 1
1 597 . 5 1 1 A 54 54 LYS CB C 54 32.668 33.527 -0.859 1
1 609 . 5 1 1 A 54 54 LYS C C 54 177.318 178.081 -0.763 1
1 610 . 5 1 1 A 55 55 THR N N 55 111.885 115.163 -3.278 1
1 611 . 5 1 1 A 55 55 THR H H 55 7.259 7.612 -0.353 1
1 612 . 5 1 1 A 55 55 THR CA C 55 63.882 65.183 -1.301 1
1 613 . 5 1 1 A 55 55 THR HA H 55 3.864 3.998 -0.134 1
1 614 . 5 1 1 A 55 55 THR CB C 55 69.759 69.156 0.603 1
1 620 . 5 1 1 A 55 55 THR C C 55 174.423 175.343 -0.920 1
1 621 . 5 1 1 A 56 56 TYR N N 56 120.015 118.421 1.594 1
1 622 . 5 1 1 A 56 56 TYR H H 56 7.767 7.700 0.067 1
1 623 . 5 1 1 A 56 56 TYR CA C 56 58.699 60.609 -1.910 1
1 624 . 5 1 1 A 56 56 TYR HA H 56 4.388 4.191 0.197 1
1 625 . 5 1 1 A 56 56 TYR CB C 56 38.568 38.463 0.105 1
1 636 . 5 1 1 A 56 56 TYR C C 56 175.031 178.171 -3.140 1
1 637 . 5 1 1 A 57 57 ILE N N 57 121.611 119.893 1.718 1
1 638 . 5 1 1 A 57 57 ILE H H 57 7.376 8.331 -0.955 1
1 639 . 5 1 1 A 57 57 ILE CA C 57 60.560 65.360 -4.800 1
1 640 . 5 1 1 A 57 57 ILE HA H 57 4.155 3.693 0.462 1
1 641 . 5 1 1 A 57 57 ILE CB C 57 38.585 38.236 0.349 1
1 654 . 5 1 1 A 57 57 ILE C C 57 175.122 176.973 -1.851 1
1 1 . 6 1 1 A 3 3 SER CA C 3 58.574 59.200 -0.626 1
1 2 . 6 1 1 A 3 3 SER HA H 3 4.477 3.954 0.523 1
1 3 . 6 1 1 A 3 3 SER CB C 3 63.686 62.096 1.590 1
1 5 . 6 1 1 A 3 3 SER C C 3 175.067 173.898 1.169 1
1 6 . 6 1 1 A 4 4 GLY N N 4 111.014 107.973 3.041 1
1 7 . 6 1 1 A 4 4 GLY H H 4 8.466 8.140 0.326 1
1 8 . 6 1 1 A 4 4 GLY CA C 4 45.338 44.179 1.159 1
1 9 . 6 1 1 A 4 4 GLY HA2 H 4 4.006 4.005 0.001 1
1 10 . 6 1 1 A 4 4 GLY C C 4 174.344 173.284 1.060 1
1 11 . 6 1 1 A 5 5 SER N N 5 115.891 117.291 -1.400 1
1 12 . 6 1 1 A 5 5 SER H H 5 8.294 8.507 -0.213 1
1 13 . 6 1 1 A 5 5 SER CA C 5 58.277 57.523 0.754 1
1 14 . 6 1 1 A 5 5 SER HA H 5 4.499 4.600 -0.101 1
1 15 . 6 1 1 A 5 5 SER CB C 5 63.850 61.327 2.523 1
1 17 . 6 1 1 A 5 5 SER C C 5 174.840 174.615 0.225 1
1 18 . 6 1 1 A 6 6 SER N N 6 117.946 122.787 -4.841 1
1 19 . 6 1 1 A 6 6 SER H H 6 8.479 8.442 0.037 1
1 20 . 6 1 1 A 6 6 SER CA C 6 58.632 60.501 -1.869 1
1 21 . 6 1 1 A 6 6 SER HA H 6 4.427 4.287 0.140 1
1 22 . 6 1 1 A 6 6 SER CB C 6 63.855 63.762 0.093 1
1 24 . 6 1 1 A 6 6 SER C C 6 174.852 174.393 0.459 1
1 25 . 6 1 1 A 7 7 GLY N N 7 110.490 107.456 3.034 1
1 26 . 6 1 1 A 7 7 GLY H H 7 8.354 7.338 1.016 1
1 27 . 6 1 1 A 7 7 GLY CA C 7 45.231 45.820 -0.589 1
1 28 . 6 1 1 A 7 7 GLY HA2 H 7 3.836 3.762 0.074 1
1 29 . 6 1 1 A 7 7 GLY HA3 H 7 3.898 3.861 0.037 1
1 30 . 6 1 1 A 7 7 GLY C C 7 173.829 171.863 1.966 1
1 31 . 6 1 1 A 8 8 PHE N N 8 119.865 121.176 -1.311 1
1 32 . 6 1 1 A 8 8 PHE H H 8 8.094 8.477 -0.383 1
1 33 . 6 1 1 A 8 8 PHE CA C 8 57.501 56.470 1.031 1
1 34 . 6 1 1 A 8 8 PHE HA H 8 4.666 5.141 -0.475 1
1 35 . 6 1 1 A 8 8 PHE CB C 8 39.743 41.856 -2.113 1
1 48 . 6 1 1 A 8 8 PHE C C 8 175.564 174.706 0.858 1
1 49 . 6 1 1 A 9 9 ASP N N 9 122.084 121.742 0.342 1
1 50 . 6 1 1 A 9 9 ASP H H 9 8.516 8.972 -0.456 1
1 51 . 6 1 1 A 9 9 ASP CA C 9 54.372 52.294 2.078 1
1 52 . 6 1 1 A 9 9 ASP HA H 9 4.599 5.350 -0.751 1
1 53 . 6 1 1 A 9 9 ASP CB C 9 41.429 44.919 -3.490 1
1 56 . 6 1 1 A 9 9 ASP C C 9 176.168 175.410 0.758 1
1 57 . 6 1 1 A 10 10 GLU N N 10 121.747 121.117 0.630 1
1 58 . 6 1 1 A 10 10 GLU H H 10 8.489 8.733 -0.244 1
1 59 . 6 1 1 A 10 10 GLU CA C 10 56.705 56.690 0.015 1
1 60 . 6 1 1 A 10 10 GLU HA H 10 4.359 4.668 -0.309 1
1 61 . 6 1 1 A 10 10 GLU CB C 10 30.039 30.283 -0.244 1
1 67 . 6 1 1 A 10 10 GLU C C 10 176.584 176.631 -0.047 1
1 68 . 6 1 1 A 11 11 ASN N N 11 119.867 116.674 3.193 1
1 69 . 6 1 1 A 11 11 ASN H H 11 8.479 8.345 0.134 1
1 70 . 6 1 1 A 11 11 ASN CA C 11 53.332 52.143 1.189 1
1 71 . 6 1 1 A 11 11 ASN HA H 11 4.791 5.137 -0.346 1
1 72 . 6 1 1 A 11 11 ASN CB C 11 38.906 38.493 0.413 1
1 78 . 6 1 1 A 11 11 ASN C C 11 175.284 174.540 0.744 1
1 79 . 6 1 1 A 12 12 TRP N N 12 124.246 126.740 -2.494 1
1 80 . 6 1 1 A 12 12 TRP H H 12 8.819 8.655 0.164 1
1 81 . 6 1 1 A 12 12 TRP CA C 12 57.447 57.646 -0.199 1
1 82 . 6 1 1 A 12 12 TRP HA H 12 4.338 4.507 -0.169 1
1 83 . 6 1 1 A 12 12 TRP CB C 12 29.096 30.554 -1.458 1
1 98 . 6 1 1 A 12 12 TRP C C 12 177.403 177.046 0.357 1
1 99 . 6 1 1 A 13 13 GLY N N 13 112.578 109.681 2.897 1
1 100 . 6 1 1 A 13 13 GLY H H 13 9.662 8.444 1.218 1
1 101 . 6 1 1 A 13 13 GLY CA C 13 44.383 44.617 -0.234 1
1 102 . 6 1 1 A 13 13 GLY HA2 H 13 4.315 4.093 0.222 1
1 103 . 6 1 1 A 13 13 GLY HA3 H 13 3.989 4.121 -0.132 1
1 104 . 6 1 1 A 13 13 GLY C C 13 174.443 174.652 -0.209 1
1 105 . 6 1 1 A 14 14 ALA N N 14 124.409 122.513 1.896 1
1 106 . 6 1 1 A 14 14 ALA H H 14 8.805 8.598 0.207 1
1 107 . 6 1 1 A 14 14 ALA CA C 14 55.635 54.428 1.207 1
1 108 . 6 1 1 A 14 14 ALA HA H 14 4.225 4.180 0.045 1
1 109 . 6 1 1 A 14 14 ALA CB C 14 18.565 18.794 -0.229 1
1 113 . 6 1 1 A 14 14 ALA C C 14 180.546 178.824 1.722 1
1 114 . 6 1 1 A 15 15 ASP N N 15 115.685 119.026 -3.341 1
1 115 . 6 1 1 A 15 15 ASP H H 15 8.825 8.305 0.520 1
1 116 . 6 1 1 A 15 15 ASP CA C 15 56.775 57.612 -0.837 1
1 117 . 6 1 1 A 15 15 ASP HA H 15 4.416 4.352 0.064 1
1 118 . 6 1 1 A 15 15 ASP CB C 15 39.188 41.353 -2.165 1
1 121 . 6 1 1 A 15 15 ASP C C 15 178.981 178.549 0.432 1
1 122 . 6 1 1 A 16 16 GLU N N 16 121.445 117.573 3.872 1
1 123 . 6 1 1 A 16 16 GLU H H 16 7.772 8.684 -0.912 1
1 124 . 6 1 1 A 16 16 GLU CA C 16 59.380 58.627 0.753 1
1 125 . 6 1 1 A 16 16 GLU HA H 16 4.203 4.172 0.031 1
1 126 . 6 1 1 A 16 16 GLU CB C 16 30.556 28.245 2.311 1
1 132 . 6 1 1 A 16 16 GLU C C 16 178.517 178.672 -0.155 1
1 133 . 6 1 1 A 17 17 GLU N N 17 118.709 119.682 -0.973 1
1 134 . 6 1 1 A 17 17 GLU H H 17 8.363 8.399 -0.036 1
1 135 . 6 1 1 A 17 17 GLU CA C 17 59.820 59.356 0.464 1
1 136 . 6 1 1 A 17 17 GLU HA H 17 4.429 4.405 0.024 1
1 137 . 6 1 1 A 17 17 GLU CB C 17 29.774 29.485 0.289 1
1 143 . 6 1 1 A 17 17 GLU C C 17 179.029 179.210 -0.181 1
1 144 . 6 1 1 A 18 18 LEU N N 18 118.004 122.403 -4.399 1
1 145 . 6 1 1 A 18 18 LEU H H 18 7.650 7.920 -0.270 1
1 146 . 6 1 1 A 18 18 LEU CA C 18 58.128 57.628 0.500 1
1 147 . 6 1 1 A 18 18 LEU HA H 18 4.212 4.217 -0.005 1
1 148 . 6 1 1 A 18 18 LEU CB C 18 41.700 42.285 -0.585 1
1 161 . 6 1 1 A 18 18 LEU C C 18 179.871 178.597 1.274 1
1 162 . 6 1 1 A 19 19 LEU N N 19 119.600 118.475 1.125 1
1 163 . 6 1 1 A 19 19 LEU H H 19 7.783 8.343 -0.560 1
1 164 . 6 1 1 A 19 19 LEU CA C 19 58.106 58.139 -0.033 1
1 165 . 6 1 1 A 19 19 LEU HA H 19 4.390 4.215 0.175 1
1 166 . 6 1 1 A 19 19 LEU CB C 19 43.169 41.926 1.243 1
1 179 . 6 1 1 A 19 19 LEU C C 19 178.634 179.102 -0.468 1
1 180 . 6 1 1 A 20 20 LEU N N 20 120.243 119.626 0.617 1
1 181 . 6 1 1 A 20 20 LEU H H 20 8.364 7.935 0.429 1
1 182 . 6 1 1 A 20 20 LEU CA C 20 58.390 58.771 -0.381 1
1 183 . 6 1 1 A 20 20 LEU HA H 20 4.083 4.206 -0.123 1
1 184 . 6 1 1 A 20 20 LEU CB C 20 42.005 42.167 -0.162 1
1 197 . 6 1 1 A 20 20 LEU C C 20 178.135 178.701 -0.566 1
1 198 . 6 1 1 A 21 21 ILE N N 21 119.379 119.913 -0.534 1
1 199 . 6 1 1 A 21 21 ILE H H 21 8.133 7.797 0.336 1
1 200 . 6 1 1 A 21 21 ILE CA C 21 64.962 65.942 -0.980 1
1 201 . 6 1 1 A 21 21 ILE HA H 21 3.685 3.568 0.117 1
1 202 . 6 1 1 A 21 21 ILE CB C 21 37.895 37.883 0.012 1
1 215 . 6 1 1 A 21 21 ILE C C 21 178.423 177.768 0.655 1
1 216 . 6 1 1 A 22 22 ASP N N 22 120.464 120.674 -0.210 1
1 217 . 6 1 1 A 22 22 ASP H H 22 8.203 8.344 -0.141 1
1 218 . 6 1 1 A 22 22 ASP CA C 22 57.332 57.882 -0.550 1
1 219 . 6 1 1 A 22 22 ASP HA H 22 4.400 4.304 0.096 1
1 220 . 6 1 1 A 22 22 ASP CB C 22 41.023 41.448 -0.425 1
1 223 . 6 1 1 A 22 22 ASP C C 22 179.117 178.063 1.054 1
1 224 . 6 1 1 A 23 23 ALA N N 23 123.634 120.502 3.132 1
1 225 . 6 1 1 A 23 23 ALA H H 23 8.819 8.113 0.706 1
1 226 . 6 1 1 A 23 23 ALA CA C 23 55.058 54.605 0.453 1
1 227 . 6 1 1 A 23 23 ALA HA H 23 3.050 3.630 -0.580 1
1 228 . 6 1 1 A 23 23 ALA CB C 23 20.405 17.866 2.539 1
1 232 . 6 1 1 A 23 23 ALA C C 23 179.042 179.405 -0.363 1
1 233 . 6 1 1 A 24 24 CYS N N 24 115.941 118.001 -2.060 1
1 234 . 6 1 1 A 24 24 CYS H H 24 8.227 8.102 0.125 1
1 235 . 6 1 1 A 24 24 CYS CA C 24 63.657 62.310 1.347 1
1 236 . 6 1 1 A 24 24 CYS HA H 24 3.524 3.631 -0.107 1
1 237 . 6 1 1 A 24 24 CYS CB C 24 27.165 26.649 0.516 1
1 240 . 6 1 1 A 24 24 CYS C C 24 177.855 176.323 1.532 1
1 241 . 6 1 1 A 25 25 GLU N N 25 118.624 119.177 -0.553 1
1 242 . 6 1 1 A 25 25 GLU H H 25 8.262 7.778 0.484 1
1 243 . 6 1 1 A 25 25 GLU CA C 25 58.829 58.110 0.719 1
1 244 . 6 1 1 A 25 25 GLU HA H 25 3.974 4.183 -0.209 1
1 245 . 6 1 1 A 25 25 GLU CB C 25 29.896 29.931 -0.035 1
1 251 . 6 1 1 A 25 25 GLU C C 25 178.082 178.901 -0.819 1
1 252 . 6 1 1 A 26 26 THR N N 26 113.708 117.284 -3.576 1
1 253 . 6 1 1 A 26 26 THR H H 26 8.046 8.081 -0.035 1
1 254 . 6 1 1 A 26 26 THR CA C 26 65.448 66.092 -0.644 1
1 255 . 6 1 1 A 26 26 THR HA H 26 4.003 3.974 0.029 1
1 256 . 6 1 1 A 26 26 THR CB C 26 69.475 68.743 0.732 1
1 262 . 6 1 1 A 26 26 THR C C 26 175.986 176.353 -0.367 1
1 263 . 6 1 1 A 27 27 LEU N N 27 119.789 118.246 1.543 1
1 264 . 6 1 1 A 27 27 LEU H H 27 8.609 7.720 0.889 1
1 265 . 6 1 1 A 27 27 LEU CA C 27 55.566 56.334 -0.768 1
1 266 . 6 1 1 A 27 27 LEU HA H 27 4.238 3.975 0.263 1
1 267 . 6 1 1 A 27 27 LEU CB C 27 42.130 42.524 -0.394 1
1 280 . 6 1 1 A 27 27 LEU C C 27 179.075 177.580 1.495 1
1 281 . 6 1 1 A 28 28 GLY N N 28 107.009 106.401 0.608 1
1 282 . 6 1 1 A 28 28 GLY H H 28 6.965 8.057 -1.092 1
1 283 . 6 1 1 A 28 28 GLY CA C 28 44.545 44.450 0.095 1
1 284 . 6 1 1 A 28 28 GLY HA2 H 28 4.057 3.901 0.156 1
1 285 . 6 1 1 A 28 28 GLY HA3 H 28 3.664 3.933 -0.269 1
1 286 . 6 1 1 A 28 28 GLY C C 28 173.046 175.067 -2.021 1
1 287 . 6 1 1 A 29 29 LEU N N 29 117.364 124.595 -7.231 1
1 288 . 6 1 1 A 29 29 LEU H H 29 7.960 7.986 -0.026 1
1 289 . 6 1 1 A 29 29 LEU CA C 29 54.626 57.531 -2.905 1
1 290 . 6 1 1 A 29 29 LEU HA H 29 3.487 3.037 0.450 1
1 291 . 6 1 1 A 29 29 LEU CB C 29 40.949 40.768 0.181 1
1 304 . 6 1 1 A 29 29 LEU C C 29 177.460 178.331 -0.871 1
1 305 . 6 1 1 A 30 30 GLY N N 30 106.469 106.634 -0.165 1
1 306 . 6 1 1 A 30 30 GLY H H 30 7.503 8.069 -0.566 1
1 307 . 6 1 1 A 30 30 GLY CA C 30 46.003 47.144 -1.141 1
1 308 . 6 1 1 A 30 30 GLY HA2 H 30 3.781 3.731 0.050 1
1 309 . 6 1 1 A 30 30 GLY HA3 H 30 3.638 3.744 -0.106 1
1 310 . 6 1 1 A 30 30 GLY C C 30 174.269 174.389 -0.120 1
1 311 . 6 1 1 A 31 31 ASN N N 31 117.981 116.875 1.106 1
1 312 . 6 1 1 A 31 31 ASN H H 31 7.643 7.959 -0.316 1
1 313 . 6 1 1 A 31 31 ASN CA C 31 52.135 51.636 0.499 1
1 314 . 6 1 1 A 31 31 ASN HA H 31 4.899 4.906 -0.007 1
1 315 . 6 1 1 A 31 31 ASN CB C 31 38.492 38.708 -0.216 1
1 321 . 6 1 1 A 31 31 ASN C C 31 176.436 175.267 1.169 1
1 322 . 6 1 1 A 32 32 TRP N N 32 124.932 124.341 0.591 1
1 323 . 6 1 1 A 32 32 TRP H H 32 8.638 8.247 0.391 1
1 324 . 6 1 1 A 32 32 TRP CA C 32 60.578 60.218 0.360 1
1 325 . 6 1 1 A 32 32 TRP HA H 32 4.257 4.334 -0.077 1
1 326 . 6 1 1 A 32 32 TRP CB C 32 29.185 29.240 -0.055 1
1 341 . 6 1 1 A 32 32 TRP C C 32 177.477 178.701 -1.224 1
1 342 . 6 1 1 A 33 33 ALA N N 33 123.791 122.183 1.608 1
1 343 . 6 1 1 A 33 33 ALA H H 33 8.522 8.329 0.193 1
1 344 . 6 1 1 A 33 33 ALA CA C 33 55.609 55.347 0.262 1
1 345 . 6 1 1 A 33 33 ALA HA H 33 4.245 4.161 0.084 1
1 346 . 6 1 1 A 33 33 ALA CB C 33 17.931 18.514 -0.583 1
1 350 . 6 1 1 A 33 33 ALA C C 33 179.868 179.751 0.117 1
1 351 . 6 1 1 A 34 34 ASP N N 34 118.553 117.985 0.568 1
1 352 . 6 1 1 A 34 34 ASP H H 34 7.463 7.815 -0.352 1
1 353 . 6 1 1 A 34 34 ASP CA C 34 56.937 57.183 -0.246 1
1 354 . 6 1 1 A 34 34 ASP HA H 34 4.378 4.585 -0.207 1
1 355 . 6 1 1 A 34 34 ASP CB C 34 40.089 41.028 -0.939 1
1 358 . 6 1 1 A 34 34 ASP C C 34 179.385 178.899 0.486 1
1 359 . 6 1 1 A 35 35 ILE N N 35 121.343 120.561 0.782 1
1 360 . 6 1 1 A 35 35 ILE H H 35 7.308 7.660 -0.352 1
1 361 . 6 1 1 A 35 35 ILE CA C 35 64.900 65.450 -0.550 1
1 362 . 6 1 1 A 35 35 ILE HA H 35 3.528 3.998 -0.470 1
1 363 . 6 1 1 A 35 35 ILE CB C 35 37.842 37.538 0.304 1
1 376 . 6 1 1 A 35 35 ILE C C 35 176.832 178.010 -1.178 1
1 377 . 6 1 1 A 36 36 ALA N N 36 122.328 122.048 0.280 1
1 378 . 6 1 1 A 36 36 ALA H H 36 8.446 8.910 -0.464 1
1 379 . 6 1 1 A 36 36 ALA CA C 36 55.724 55.960 -0.236 1
1 380 . 6 1 1 A 36 36 ALA HA H 36 4.281 4.135 0.146 1
1 381 . 6 1 1 A 36 36 ALA CB C 36 17.153 18.445 -1.292 1
1 385 . 6 1 1 A 36 36 ALA C C 36 181.002 179.562 1.440 1
1 386 . 6 1 1 A 37 37 ASP N N 37 119.092 118.540 0.552 1
1 387 . 6 1 1 A 37 37 ASP H H 37 7.997 8.305 -0.308 1
1 388 . 6 1 1 A 37 37 ASP CA C 37 57.105 56.742 0.363 1
1 389 . 6 1 1 A 37 37 ASP HA H 37 4.392 4.469 -0.077 1
1 390 . 6 1 1 A 37 37 ASP CB C 37 40.808 40.720 0.088 1
1 393 . 6 1 1 A 37 37 ASP C C 37 177.292 178.026 -0.734 1
1 394 . 6 1 1 A 38 38 TYR N N 38 121.825 120.901 0.924 1
1 395 . 6 1 1 A 38 38 TYR H H 38 7.648 8.336 -0.688 1
1 396 . 6 1 1 A 38 38 TYR CA C 38 60.838 61.008 -0.170 1
1 397 . 6 1 1 A 38 38 TYR HA H 38 4.046 4.222 -0.176 1
1 398 . 6 1 1 A 38 38 TYR CB C 38 39.411 38.816 0.595 1
1 409 . 6 1 1 A 38 38 TYR C C 38 177.306 177.319 -0.013 1
1 410 . 6 1 1 A 39 39 VAL N N 39 118.437 118.986 -0.549 1
1 411 . 6 1 1 A 39 39 VAL H H 39 8.306 8.504 -0.198 1
1 412 . 6 1 1 A 39 39 VAL CA C 39 65.398 65.062 0.336 1
1 413 . 6 1 1 A 39 39 VAL HA H 39 3.707 4.001 -0.294 1
1 414 . 6 1 1 A 39 39 VAL CB C 39 32.833 32.134 0.699 1
1 424 . 6 1 1 A 39 39 VAL C C 39 177.244 177.048 0.196 1
1 425 . 6 1 1 A 40 40 GLY N N 40 105.738 109.269 -3.531 1
1 426 . 6 1 1 A 40 40 GLY H H 40 8.117 7.904 0.213 1
1 427 . 6 1 1 A 40 40 GLY CA C 40 45.890 46.443 -0.553 1
1 428 . 6 1 1 A 40 40 GLY HA2 H 40 3.896 3.887 0.009 1
1 429 . 6 1 1 A 40 40 GLY HA3 H 40 3.694 3.901 -0.207 1
1 430 . 6 1 1 A 40 40 GLY C C 40 173.930 175.025 -1.095 1
1 431 . 6 1 1 A 41 41 ASN N N 41 116.713 120.144 -3.431 1
1 432 . 6 1 1 A 41 41 ASN H H 41 8.620 9.055 -0.435 1
1 433 . 6 1 1 A 41 41 ASN CA C 41 54.192 54.423 -0.231 1
1 434 . 6 1 1 A 41 41 ASN HA H 41 4.253 4.282 -0.029 1
1 435 . 6 1 1 A 41 41 ASN CB C 41 38.370 36.760 1.610 1
1 441 . 6 1 1 A 41 41 ASN C C 41 173.935 174.513 -0.578 1
1 442 . 6 1 1 A 42 42 ALA N N 42 115.074 113.245 1.829 1
1 443 . 6 1 1 A 42 42 ALA H H 42 8.425 8.223 0.202 1
1 444 . 6 1 1 A 42 42 ALA CA C 42 52.968 53.482 -0.514 1
1 445 . 6 1 1 A 42 42 ALA HA H 42 3.876 3.845 0.031 1
1 446 . 6 1 1 A 42 42 ALA CB C 42 17.871 17.569 0.302 1
1 450 . 6 1 1 A 42 42 ALA C C 42 177.531 176.159 1.372 1
1 451 . 6 1 1 A 43 43 ARG N N 43 119.427 116.175 3.252 1
1 452 . 6 1 1 A 43 43 ARG H H 43 7.773 7.449 0.324 1
1 453 . 6 1 1 A 43 43 ARG CA C 43 54.411 54.029 0.382 1
1 454 . 6 1 1 A 43 43 ARG HA H 43 4.447 4.954 -0.507 1
1 455 . 6 1 1 A 43 43 ARG CB C 43 30.954 33.607 -2.653 1
1 466 . 6 1 1 A 43 43 ARG C C 43 177.734 174.391 3.343 1
1 467 . 6 1 1 A 44 44 THR N N 44 113.165 113.942 -0.777 1
1 468 . 6 1 1 A 44 44 THR H H 44 8.918 8.579 0.339 1
1 469 . 6 1 1 A 44 44 THR CA C 44 60.337 60.562 -0.225 1
1 470 . 6 1 1 A 44 44 THR HA H 44 4.625 4.978 -0.353 1
1 471 . 6 1 1 A 44 44 THR CB C 44 72.316 70.292 2.024 1
1 477 . 6 1 1 A 44 44 THR C C 44 177.134 174.531 2.603 1
1 478 . 6 1 1 A 45 45 LYS N N 45 121.142 124.854 -3.712 1
1 479 . 6 1 1 A 45 45 LYS H H 45 9.432 8.907 0.525 1
1 480 . 6 1 1 A 45 45 LYS CA C 45 59.938 59.298 0.640 1
1 481 . 6 1 1 A 45 45 LYS HA H 45 4.137 4.120 0.017 1
1 482 . 6 1 1 A 45 45 LYS CB C 45 32.188 31.962 0.226 1
1 494 . 6 1 1 A 45 45 LYS C C 45 177.330 178.054 -0.724 1
1 495 . 6 1 1 A 46 46 GLU N N 46 120.446 119.693 0.753 1
1 496 . 6 1 1 A 46 46 GLU H H 46 8.577 8.744 -0.167 1
1 497 . 6 1 1 A 46 46 GLU CA C 46 61.051 59.486 1.565 1
1 498 . 6 1 1 A 46 46 GLU HA H 46 3.716 3.954 -0.238 1
1 499 . 6 1 1 A 46 46 GLU CB C 46 28.270 29.405 -1.135 1
1 505 . 6 1 1 A 46 46 GLU C C 46 178.200 179.409 -1.209 1
1 506 . 6 1 1 A 47 47 GLU N N 47 119.411 119.159 0.252 1
1 507 . 6 1 1 A 47 47 GLU H H 47 7.874 8.188 -0.314 1
1 508 . 6 1 1 A 47 47 GLU CA C 47 59.209 59.290 -0.081 1
1 509 . 6 1 1 A 47 47 GLU HA H 47 4.139 4.226 -0.087 1
1 510 . 6 1 1 A 47 47 GLU CB C 47 30.970 30.336 0.634 1
1 516 . 6 1 1 A 47 47 GLU C C 47 180.380 179.117 1.263 1
1 517 . 6 1 1 A 48 48 CYS N N 48 117.778 119.112 -1.334 1
1 518 . 6 1 1 A 48 48 CYS H H 48 8.354 8.676 -0.322 1
1 519 . 6 1 1 A 48 48 CYS CA C 48 65.002 63.393 1.609 1
1 520 . 6 1 1 A 48 48 CYS HA H 48 4.331 4.559 -0.228 1
1 521 . 6 1 1 A 48 48 CYS CB C 48 27.262 27.227 0.035 1
1 524 . 6 1 1 A 48 48 CYS C C 48 174.443 177.347 -2.904 1
1 525 . 6 1 1 A 49 49 ARG N N 49 121.012 120.534 0.478 1
1 526 . 6 1 1 A 49 49 ARG H H 49 7.364 7.764 -0.400 1
1 527 . 6 1 1 A 49 49 ARG CA C 49 58.352 58.565 -0.213 1
1 528 . 6 1 1 A 49 49 ARG HA H 49 1.940 2.242 -0.302 1
1 529 . 6 1 1 A 49 49 ARG CB C 49 29.691 29.289 0.402 1
1 538 . 6 1 1 A 49 49 ARG C C 49 177.306 177.803 -0.497 1
1 539 . 6 1 1 A 50 50 ASP N N 50 116.931 118.257 -1.326 1
1 540 . 6 1 1 A 50 50 ASP H H 50 8.183 7.781 0.402 1
1 541 . 6 1 1 A 50 50 ASP CA C 50 57.267 56.857 0.410 1
1 542 . 6 1 1 A 50 50 ASP HA H 50 4.170 4.136 0.034 1
1 543 . 6 1 1 A 50 50 ASP CB C 50 40.569 40.675 -0.106 1
1 546 . 6 1 1 A 50 50 ASP C C 50 178.695 178.812 -0.117 1
1 547 . 6 1 1 A 51 51 HIS N N 51 116.759 120.649 -3.890 1
1 548 . 6 1 1 A 51 51 HIS H H 51 8.276 8.344 -0.068 1
1 549 . 6 1 1 A 51 51 HIS CA C 51 59.374 59.135 0.239 1
1 550 . 6 1 1 A 51 51 HIS HA H 51 3.986 4.104 -0.118 1
1 551 . 6 1 1 A 51 51 HIS CB C 51 28.534 29.369 -0.835 1
1 558 . 6 1 1 A 51 51 HIS C C 51 177.514 176.867 0.647 1
1 559 . 6 1 1 A 52 52 TYR N N 52 121.013 119.814 1.199 1
1 560 . 6 1 1 A 52 52 TYR H H 52 8.364 7.740 0.624 1
1 561 . 6 1 1 A 52 52 TYR CA C 52 62.363 60.273 2.090 1
1 562 . 6 1 1 A 52 52 TYR HA H 52 3.951 3.962 -0.011 1
1 563 . 6 1 1 A 52 52 TYR CB C 52 39.610 38.916 0.694 1
1 574 . 6 1 1 A 52 52 TYR C C 52 177.492 177.214 0.278 1
1 575 . 6 1 1 A 53 53 LEU N N 53 117.616 119.282 -1.666 1
1 576 . 6 1 1 A 53 53 LEU H H 53 8.354 7.665 0.689 1
1 577 . 6 1 1 A 53 53 LEU CA C 53 57.261 56.423 0.838 1
1 578 . 6 1 1 A 53 53 LEU HA H 53 3.985 4.331 -0.346 1
1 579 . 6 1 1 A 53 53 LEU CB C 53 41.403 42.089 -0.686 1
1 592 . 6 1 1 A 53 53 LEU C C 53 178.921 178.045 0.876 1
1 593 . 6 1 1 A 54 54 LYS N N 54 116.037 117.968 -1.931 1
1 594 . 6 1 1 A 54 54 LYS H H 54 7.468 7.884 -0.416 1
1 595 . 6 1 1 A 54 54 LYS CA C 54 57.859 57.622 0.237 1
1 596 . 6 1 1 A 54 54 LYS HA H 54 4.006 4.229 -0.223 1
1 597 . 6 1 1 A 54 54 LYS CB C 54 32.668 33.436 -0.768 1
1 609 . 6 1 1 A 54 54 LYS C C 54 177.318 178.394 -1.076 1
1 610 . 6 1 1 A 55 55 THR N N 55 111.885 116.747 -4.862 1
1 611 . 6 1 1 A 55 55 THR H H 55 7.259 7.723 -0.464 1
1 612 . 6 1 1 A 55 55 THR CA C 55 63.882 65.816 -1.934 1
1 613 . 6 1 1 A 55 55 THR HA H 55 3.864 3.920 -0.056 1
1 614 . 6 1 1 A 55 55 THR CB C 55 69.759 68.815 0.944 1
1 620 . 6 1 1 A 55 55 THR C C 55 174.423 175.586 -1.163 1
1 621 . 6 1 1 A 56 56 TYR N N 56 120.015 118.993 1.022 1
1 622 . 6 1 1 A 56 56 TYR H H 56 7.767 7.946 -0.179 1
1 623 . 6 1 1 A 56 56 TYR CA C 56 58.699 60.626 -1.927 1
1 624 . 6 1 1 A 56 56 TYR HA H 56 4.388 4.113 0.275 1
1 625 . 6 1 1 A 56 56 TYR CB C 56 38.568 38.103 0.465 1
1 636 . 6 1 1 A 56 56 TYR C C 56 175.031 178.007 -2.976 1
1 637 . 6 1 1 A 57 57 ILE N N 57 121.611 119.821 1.790 1
1 638 . 6 1 1 A 57 57 ILE H H 57 7.376 8.395 -1.019 1
1 639 . 6 1 1 A 57 57 ILE CA C 57 60.560 65.180 -4.620 1
1 640 . 6 1 1 A 57 57 ILE HA H 57 4.155 3.727 0.428 1
1 641 . 6 1 1 A 57 57 ILE CB C 57 38.585 37.909 0.676 1
1 654 . 6 1 1 A 57 57 ILE C C 57 175.122 177.604 -2.482 1
1 1 . 7 1 1 A 3 3 SER CA C 3 58.574 58.492 0.082 1
1 2 . 7 1 1 A 3 3 SER HA H 3 4.477 4.375 0.102 1
1 3 . 7 1 1 A 3 3 SER CB C 3 63.686 63.886 -0.200 1
1 5 . 7 1 1 A 3 3 SER C C 3 175.067 174.838 0.229 1
1 6 . 7 1 1 A 4 4 GLY N N 4 111.014 110.632 0.382 1
1 7 . 7 1 1 A 4 4 GLY H H 4 8.466 8.409 0.057 1
1 8 . 7 1 1 A 4 4 GLY CA C 4 45.338 44.752 0.586 1
1 9 . 7 1 1 A 4 4 GLY HA2 H 4 4.006 4.065 -0.059 1
1 10 . 7 1 1 A 4 4 GLY C C 4 174.344 173.807 0.537 1
1 11 . 7 1 1 A 5 5 SER N N 5 115.891 117.521 -1.630 1
1 12 . 7 1 1 A 5 5 SER H H 5 8.294 8.208 0.086 1
1 13 . 7 1 1 A 5 5 SER CA C 5 58.277 57.949 0.328 1
1 14 . 7 1 1 A 5 5 SER HA H 5 4.499 4.914 -0.415 1
1 15 . 7 1 1 A 5 5 SER CB C 5 63.850 63.585 0.265 1
1 17 . 7 1 1 A 5 5 SER C C 5 174.840 174.383 0.457 1
1 18 . 7 1 1 A 6 6 SER N N 6 117.946 123.032 -5.086 1
1 19 . 7 1 1 A 6 6 SER H H 6 8.479 8.855 -0.376 1
1 20 . 7 1 1 A 6 6 SER CA C 6 58.632 60.977 -2.345 1
1 21 . 7 1 1 A 6 6 SER HA H 6 4.427 4.047 0.380 1
1 22 . 7 1 1 A 6 6 SER CB C 6 63.855 63.696 0.159 1
1 24 . 7 1 1 A 6 6 SER C C 6 174.852 174.550 0.302 1
1 25 . 7 1 1 A 7 7 GLY N N 7 110.490 108.392 2.098 1
1 26 . 7 1 1 A 7 7 GLY H H 7 8.354 7.867 0.487 1
1 27 . 7 1 1 A 7 7 GLY CA C 7 45.231 46.647 -1.416 1
1 28 . 7 1 1 A 7 7 GLY HA2 H 7 3.836 4.111 -0.275 1
1 29 . 7 1 1 A 7 7 GLY HA3 H 7 3.898 4.122 -0.224 1
1 30 . 7 1 1 A 7 7 GLY C C 7 173.829 174.322 -0.493 1
1 31 . 7 1 1 A 8 8 PHE N N 8 119.865 122.544 -2.679 1
1 32 . 7 1 1 A 8 8 PHE H H 8 8.094 8.710 -0.616 1
1 33 . 7 1 1 A 8 8 PHE CA C 8 57.501 57.184 0.317 1
1 34 . 7 1 1 A 8 8 PHE HA H 8 4.666 4.754 -0.088 1
1 35 . 7 1 1 A 8 8 PHE CB C 8 39.743 37.846 1.897 1
1 48 . 7 1 1 A 8 8 PHE C C 8 175.564 174.599 0.965 1
1 49 . 7 1 1 A 9 9 ASP N N 9 122.084 125.566 -3.482 1
1 50 . 7 1 1 A 9 9 ASP H H 9 8.516 8.867 -0.351 1
1 51 . 7 1 1 A 9 9 ASP CA C 9 54.372 53.698 0.674 1
1 52 . 7 1 1 A 9 9 ASP HA H 9 4.599 4.977 -0.378 1
1 53 . 7 1 1 A 9 9 ASP CB C 9 41.429 42.647 -1.218 1
1 56 . 7 1 1 A 9 9 ASP C C 9 176.168 176.330 -0.162 1
1 57 . 7 1 1 A 10 10 GLU N N 10 121.747 125.159 -3.412 1
1 58 . 7 1 1 A 10 10 GLU H H 10 8.489 8.715 -0.226 1
1 59 . 7 1 1 A 10 10 GLU CA C 10 56.705 55.795 0.910 1
1 60 . 7 1 1 A 10 10 GLU HA H 10 4.359 4.536 -0.177 1
1 61 . 7 1 1 A 10 10 GLU CB C 10 30.039 27.989 2.050 1
1 67 . 7 1 1 A 10 10 GLU C C 10 176.584 174.986 1.598 1
1 68 . 7 1 1 A 11 11 ASN N N 11 119.867 119.439 0.428 1
1 69 . 7 1 1 A 11 11 ASN H H 11 8.479 7.766 0.713 1
1 70 . 7 1 1 A 11 11 ASN CA C 11 53.332 52.638 0.694 1
1 71 . 7 1 1 A 11 11 ASN HA H 11 4.791 5.290 -0.499 1
1 72 . 7 1 1 A 11 11 ASN CB C 11 38.906 41.126 -2.220 1
1 78 . 7 1 1 A 11 11 ASN C C 11 175.284 174.931 0.353 1
1 79 . 7 1 1 A 12 12 TRP N N 12 124.246 125.771 -1.525 1
1 80 . 7 1 1 A 12 12 TRP H H 12 8.819 8.696 0.123 1
1 81 . 7 1 1 A 12 12 TRP CA C 12 57.447 57.659 -0.212 1
1 82 . 7 1 1 A 12 12 TRP HA H 12 4.338 4.640 -0.302 1
1 83 . 7 1 1 A 12 12 TRP CB C 12 29.096 30.349 -1.253 1
1 98 . 7 1 1 A 12 12 TRP C C 12 177.403 177.073 0.330 1
1 99 . 7 1 1 A 13 13 GLY N N 13 112.578 110.082 2.496 1
1 100 . 7 1 1 A 13 13 GLY H H 13 9.662 8.517 1.145 1
1 101 . 7 1 1 A 13 13 GLY CA C 13 44.383 45.220 -0.837 1
1 102 . 7 1 1 A 13 13 GLY HA2 H 13 4.315 4.073 0.242 1
1 103 . 7 1 1 A 13 13 GLY HA3 H 13 3.989 4.113 -0.124 1
1 104 . 7 1 1 A 13 13 GLY C C 13 174.443 174.963 -0.520 1
1 105 . 7 1 1 A 14 14 ALA N N 14 124.409 125.108 -0.699 1
1 106 . 7 1 1 A 14 14 ALA H H 14 8.805 9.077 -0.272 1
1 107 . 7 1 1 A 14 14 ALA CA C 14 55.635 55.394 0.241 1
1 108 . 7 1 1 A 14 14 ALA HA H 14 4.225 4.079 0.146 1
1 109 . 7 1 1 A 14 14 ALA CB C 14 18.565 18.270 0.295 1
1 113 . 7 1 1 A 14 14 ALA C C 14 180.546 179.373 1.173 1
1 114 . 7 1 1 A 15 15 ASP N N 15 115.685 118.394 -2.709 1
1 115 . 7 1 1 A 15 15 ASP H H 15 8.825 8.426 0.399 1
1 116 . 7 1 1 A 15 15 ASP CA C 15 56.775 57.203 -0.428 1
1 117 . 7 1 1 A 15 15 ASP HA H 15 4.416 4.353 0.063 1
1 118 . 7 1 1 A 15 15 ASP CB C 15 39.188 41.238 -2.050 1
1 121 . 7 1 1 A 15 15 ASP C C 15 178.981 178.676 0.305 1
1 122 . 7 1 1 A 16 16 GLU N N 16 121.445 117.808 3.637 1
1 123 . 7 1 1 A 16 16 GLU H H 16 7.772 8.486 -0.714 1
1 124 . 7 1 1 A 16 16 GLU CA C 16 59.380 58.575 0.805 1
1 125 . 7 1 1 A 16 16 GLU HA H 16 4.203 4.160 0.043 1
1 126 . 7 1 1 A 16 16 GLU CB C 16 30.556 28.310 2.246 1
1 132 . 7 1 1 A 16 16 GLU C C 16 178.517 178.574 -0.057 1
1 133 . 7 1 1 A 17 17 GLU N N 17 118.709 119.556 -0.847 1
1 134 . 7 1 1 A 17 17 GLU H H 17 8.363 8.549 -0.186 1
1 135 . 7 1 1 A 17 17 GLU CA C 17 59.820 59.488 0.332 1
1 136 . 7 1 1 A 17 17 GLU HA H 17 4.429 4.530 -0.101 1
1 137 . 7 1 1 A 17 17 GLU CB C 17 29.774 29.657 0.117 1
1 143 . 7 1 1 A 17 17 GLU C C 17 179.029 179.241 -0.212 1
1 144 . 7 1 1 A 18 18 LEU N N 18 118.004 122.516 -4.512 1
1 145 . 7 1 1 A 18 18 LEU H H 18 7.650 8.111 -0.461 1
1 146 . 7 1 1 A 18 18 LEU CA C 18 58.128 57.773 0.355 1
1 147 . 7 1 1 A 18 18 LEU HA H 18 4.212 4.223 -0.011 1
1 148 . 7 1 1 A 18 18 LEU CB C 18 41.700 41.989 -0.289 1
1 161 . 7 1 1 A 18 18 LEU C C 18 179.871 178.584 1.287 1
1 162 . 7 1 1 A 19 19 LEU N N 19 119.600 119.105 0.495 1
1 163 . 7 1 1 A 19 19 LEU H H 19 7.783 8.213 -0.430 1
1 164 . 7 1 1 A 19 19 LEU CA C 19 58.106 58.367 -0.261 1
1 165 . 7 1 1 A 19 19 LEU HA H 19 4.390 4.099 0.291 1
1 166 . 7 1 1 A 19 19 LEU CB C 19 43.169 41.885 1.284 1
1 179 . 7 1 1 A 19 19 LEU C C 19 178.634 179.179 -0.545 1
1 180 . 7 1 1 A 20 20 LEU N N 20 120.243 119.478 0.765 1
1 181 . 7 1 1 A 20 20 LEU H H 20 8.364 8.381 -0.017 1
1 182 . 7 1 1 A 20 20 LEU CA C 20 58.390 58.711 -0.321 1
1 183 . 7 1 1 A 20 20 LEU HA H 20 4.083 4.189 -0.106 1
1 184 . 7 1 1 A 20 20 LEU CB C 20 42.005 42.115 -0.110 1
1 197 . 7 1 1 A 20 20 LEU C C 20 178.135 178.640 -0.505 1
1 198 . 7 1 1 A 21 21 ILE N N 21 119.379 119.871 -0.492 1
1 199 . 7 1 1 A 21 21 ILE H H 21 8.133 8.081 0.052 1
1 200 . 7 1 1 A 21 21 ILE CA C 21 64.962 65.939 -0.977 1
1 201 . 7 1 1 A 21 21 ILE HA H 21 3.685 3.566 0.119 1
1 202 . 7 1 1 A 21 21 ILE CB C 21 37.895 37.896 -0.001 1
1 215 . 7 1 1 A 21 21 ILE C C 21 178.423 177.784 0.639 1
1 216 . 7 1 1 A 22 22 ASP N N 22 120.464 120.712 -0.248 1
1 217 . 7 1 1 A 22 22 ASP H H 22 8.203 8.223 -0.020 1
1 218 . 7 1 1 A 22 22 ASP CA C 22 57.332 57.880 -0.548 1
1 219 . 7 1 1 A 22 22 ASP HA H 22 4.400 4.313 0.087 1
1 220 . 7 1 1 A 22 22 ASP CB C 22 41.023 41.500 -0.477 1
1 223 . 7 1 1 A 22 22 ASP C C 22 179.117 178.190 0.927 1
1 224 . 7 1 1 A 23 23 ALA N N 23 123.634 120.642 2.992 1
1 225 . 7 1 1 A 23 23 ALA H H 23 8.819 8.113 0.706 1
1 226 . 7 1 1 A 23 23 ALA CA C 23 55.058 54.725 0.333 1
1 227 . 7 1 1 A 23 23 ALA HA H 23 3.050 3.524 -0.474 1
1 228 . 7 1 1 A 23 23 ALA CB C 23 20.405 18.334 2.071 1
1 232 . 7 1 1 A 23 23 ALA C C 23 179.042 179.211 -0.169 1
1 233 . 7 1 1 A 24 24 CYS N N 24 115.941 117.893 -1.952 1
1 234 . 7 1 1 A 24 24 CYS H H 24 8.227 8.220 0.007 1
1 235 . 7 1 1 A 24 24 CYS CA C 24 63.657 62.623 1.034 1
1 236 . 7 1 1 A 24 24 CYS HA H 24 3.524 3.635 -0.111 1
1 237 . 7 1 1 A 24 24 CYS CB C 24 27.165 26.552 0.613 1
1 240 . 7 1 1 A 24 24 CYS C C 24 177.855 176.344 1.511 1
1 241 . 7 1 1 A 25 25 GLU N N 25 118.624 119.263 -0.639 1
1 242 . 7 1 1 A 25 25 GLU H H 25 8.262 7.771 0.491 1
1 243 . 7 1 1 A 25 25 GLU CA C 25 58.829 58.108 0.721 1
1 244 . 7 1 1 A 25 25 GLU HA H 25 3.974 4.192 -0.218 1
1 245 . 7 1 1 A 25 25 GLU CB C 25 29.896 29.976 -0.080 1
1 251 . 7 1 1 A 25 25 GLU C C 25 178.082 178.887 -0.805 1
1 252 . 7 1 1 A 26 26 THR N N 26 113.708 117.258 -3.550 1
1 253 . 7 1 1 A 26 26 THR H H 26 8.046 8.183 -0.137 1
1 254 . 7 1 1 A 26 26 THR CA C 26 65.448 66.069 -0.621 1
1 255 . 7 1 1 A 26 26 THR HA H 26 4.003 3.971 0.032 1
1 256 . 7 1 1 A 26 26 THR CB C 26 69.475 68.802 0.673 1
1 262 . 7 1 1 A 26 26 THR C C 26 175.986 176.344 -0.358 1
1 263 . 7 1 1 A 27 27 LEU N N 27 119.789 118.332 1.457 1
1 264 . 7 1 1 A 27 27 LEU H H 27 8.609 7.728 0.881 1
1 265 . 7 1 1 A 27 27 LEU CA C 27 55.566 56.505 -0.939 1
1 266 . 7 1 1 A 27 27 LEU HA H 27 4.238 3.966 0.272 1
1 267 . 7 1 1 A 27 27 LEU CB C 27 42.130 42.540 -0.410 1
1 280 . 7 1 1 A 27 27 LEU C C 27 179.075 177.578 1.497 1
1 281 . 7 1 1 A 28 28 GLY N N 28 107.009 106.049 0.960 1
1 282 . 7 1 1 A 28 28 GLY H H 28 6.965 7.940 -0.975 1
1 283 . 7 1 1 A 28 28 GLY CA C 28 44.545 44.445 0.100 1
1 284 . 7 1 1 A 28 28 GLY HA2 H 28 4.057 3.904 0.153 1
1 285 . 7 1 1 A 28 28 GLY HA3 H 28 3.664 3.937 -0.273 1
1 286 . 7 1 1 A 28 28 GLY C C 28 173.046 174.919 -1.873 1
1 287 . 7 1 1 A 29 29 LEU N N 29 117.364 124.256 -6.892 1
1 288 . 7 1 1 A 29 29 LEU H H 29 7.960 8.454 -0.494 1
1 289 . 7 1 1 A 29 29 LEU CA C 29 54.626 57.518 -2.892 1
1 290 . 7 1 1 A 29 29 LEU HA H 29 3.487 3.051 0.436 1
1 291 . 7 1 1 A 29 29 LEU CB C 29 40.949 40.659 0.290 1
1 304 . 7 1 1 A 29 29 LEU C C 29 177.460 178.658 -1.198 1
1 305 . 7 1 1 A 30 30 GLY N N 30 106.469 106.564 -0.095 1
1 306 . 7 1 1 A 30 30 GLY H H 30 7.503 7.903 -0.400 1
1 307 . 7 1 1 A 30 30 GLY CA C 30 46.003 47.030 -1.027 1
1 308 . 7 1 1 A 30 30 GLY HA2 H 30 3.781 3.735 0.046 1
1 309 . 7 1 1 A 30 30 GLY HA3 H 30 3.638 3.759 -0.121 1
1 310 . 7 1 1 A 30 30 GLY C C 30 174.269 174.494 -0.225 1
1 311 . 7 1 1 A 31 31 ASN N N 31 117.981 116.450 1.531 1
1 312 . 7 1 1 A 31 31 ASN H H 31 7.643 7.951 -0.308 1
1 313 . 7 1 1 A 31 31 ASN CA C 31 52.135 51.878 0.257 1
1 314 . 7 1 1 A 31 31 ASN HA H 31 4.899 4.918 -0.019 1
1 315 . 7 1 1 A 31 31 ASN CB C 31 38.492 38.874 -0.382 1
1 321 . 7 1 1 A 31 31 ASN C C 31 176.436 175.275 1.161 1
1 322 . 7 1 1 A 32 32 TRP N N 32 124.932 123.962 0.970 1
1 323 . 7 1 1 A 32 32 TRP H H 32 8.638 8.203 0.435 1
1 324 . 7 1 1 A 32 32 TRP CA C 32 60.578 60.016 0.562 1
1 325 . 7 1 1 A 32 32 TRP HA H 32 4.257 4.284 -0.027 1
1 326 . 7 1 1 A 32 32 TRP CB C 32 29.185 29.225 -0.040 1
1 341 . 7 1 1 A 32 32 TRP C C 32 177.477 178.524 -1.047 1
1 342 . 7 1 1 A 33 33 ALA N N 33 123.791 121.914 1.877 1
1 343 . 7 1 1 A 33 33 ALA H H 33 8.522 8.336 0.186 1
1 344 . 7 1 1 A 33 33 ALA CA C 33 55.609 55.416 0.193 1
1 345 . 7 1 1 A 33 33 ALA HA H 33 4.245 4.145 0.100 1
1 346 . 7 1 1 A 33 33 ALA CB C 33 17.931 18.693 -0.762 1
1 350 . 7 1 1 A 33 33 ALA C C 33 179.868 179.704 0.164 1
1 351 . 7 1 1 A 34 34 ASP N N 34 118.553 117.799 0.754 1
1 352 . 7 1 1 A 34 34 ASP H H 34 7.463 7.692 -0.229 1
1 353 . 7 1 1 A 34 34 ASP CA C 34 56.937 57.308 -0.371 1
1 354 . 7 1 1 A 34 34 ASP HA H 34 4.378 4.576 -0.198 1
1 355 . 7 1 1 A 34 34 ASP CB C 34 40.089 41.185 -1.096 1
1 358 . 7 1 1 A 34 34 ASP C C 34 179.385 179.029 0.356 1
1 359 . 7 1 1 A 35 35 ILE N N 35 121.343 121.206 0.137 1
1 360 . 7 1 1 A 35 35 ILE H H 35 7.308 8.199 -0.891 1
1 361 . 7 1 1 A 35 35 ILE CA C 35 64.900 66.001 -1.101 1
1 362 . 7 1 1 A 35 35 ILE HA H 35 3.528 3.835 -0.307 1
1 363 . 7 1 1 A 35 35 ILE CB C 35 37.842 38.066 -0.224 1
1 376 . 7 1 1 A 35 35 ILE C C 35 176.832 177.996 -1.164 1
1 377 . 7 1 1 A 36 36 ALA N N 36 122.328 121.983 0.345 1
1 378 . 7 1 1 A 36 36 ALA H H 36 8.446 8.927 -0.481 1
1 379 . 7 1 1 A 36 36 ALA CA C 36 55.724 55.921 -0.197 1
1 380 . 7 1 1 A 36 36 ALA HA H 36 4.281 4.113 0.168 1
1 381 . 7 1 1 A 36 36 ALA CB C 36 17.153 18.464 -1.311 1
1 385 . 7 1 1 A 36 36 ALA C C 36 181.002 179.550 1.452 1
1 386 . 7 1 1 A 37 37 ASP N N 37 119.092 118.493 0.599 1
1 387 . 7 1 1 A 37 37 ASP H H 37 7.997 8.272 -0.275 1
1 388 . 7 1 1 A 37 37 ASP CA C 37 57.105 56.739 0.366 1
1 389 . 7 1 1 A 37 37 ASP HA H 37 4.392 4.449 -0.057 1
1 390 . 7 1 1 A 37 37 ASP CB C 37 40.808 40.735 0.073 1
1 393 . 7 1 1 A 37 37 ASP C C 37 177.292 178.032 -0.740 1
1 394 . 7 1 1 A 38 38 TYR N N 38 121.825 120.915 0.910 1
1 395 . 7 1 1 A 38 38 TYR H H 38 7.648 8.499 -0.851 1
1 396 . 7 1 1 A 38 38 TYR CA C 38 60.838 60.909 -0.071 1
1 397 . 7 1 1 A 38 38 TYR HA H 38 4.046 4.217 -0.171 1
1 398 . 7 1 1 A 38 38 TYR CB C 38 39.411 38.795 0.616 1
1 409 . 7 1 1 A 38 38 TYR C C 38 177.306 177.345 -0.039 1
1 410 . 7 1 1 A 39 39 VAL N N 39 118.437 118.971 -0.534 1
1 411 . 7 1 1 A 39 39 VAL H H 39 8.306 8.522 -0.216 1
1 412 . 7 1 1 A 39 39 VAL CA C 39 65.398 64.752 0.646 1
1 413 . 7 1 1 A 39 39 VAL HA H 39 3.707 4.014 -0.307 1
1 414 . 7 1 1 A 39 39 VAL CB C 39 32.833 32.098 0.735 1
1 424 . 7 1 1 A 39 39 VAL C C 39 177.244 177.049 0.195 1
1 425 . 7 1 1 A 40 40 GLY N N 40 105.738 109.321 -3.583 1
1 426 . 7 1 1 A 40 40 GLY H H 40 8.117 7.852 0.265 1
1 427 . 7 1 1 A 40 40 GLY CA C 40 45.890 46.365 -0.475 1
1 428 . 7 1 1 A 40 40 GLY HA2 H 40 3.896 3.893 0.003 1
1 429 . 7 1 1 A 40 40 GLY HA3 H 40 3.694 3.906 -0.212 1
1 430 . 7 1 1 A 40 40 GLY C C 40 173.930 175.219 -1.289 1
1 431 . 7 1 1 A 41 41 ASN N N 41 116.713 120.509 -3.796 1
1 432 . 7 1 1 A 41 41 ASN H H 41 8.620 9.047 -0.427 1
1 433 . 7 1 1 A 41 41 ASN CA C 41 54.192 54.441 -0.249 1
1 434 . 7 1 1 A 41 41 ASN HA H 41 4.253 4.264 -0.011 1
1 435 . 7 1 1 A 41 41 ASN CB C 41 38.370 36.797 1.573 1
1 441 . 7 1 1 A 41 41 ASN C C 41 173.935 174.459 -0.524 1
1 442 . 7 1 1 A 42 42 ALA N N 42 115.074 113.355 1.719 1
1 443 . 7 1 1 A 42 42 ALA H H 42 8.425 8.190 0.235 1
1 444 . 7 1 1 A 42 42 ALA CA C 42 52.968 53.473 -0.505 1
1 445 . 7 1 1 A 42 42 ALA HA H 42 3.876 3.816 0.060 1
1 446 . 7 1 1 A 42 42 ALA CB C 42 17.871 17.626 0.245 1
1 450 . 7 1 1 A 42 42 ALA C C 42 177.531 176.095 1.436 1
1 451 . 7 1 1 A 43 43 ARG N N 43 119.427 116.287 3.140 1
1 452 . 7 1 1 A 43 43 ARG H H 43 7.773 7.463 0.310 1
1 453 . 7 1 1 A 43 43 ARG CA C 43 54.411 54.016 0.395 1
1 454 . 7 1 1 A 43 43 ARG HA H 43 4.447 4.951 -0.504 1
1 455 . 7 1 1 A 43 43 ARG CB C 43 30.954 33.506 -2.552 1
1 466 . 7 1 1 A 43 43 ARG C C 43 177.734 175.112 2.622 1
1 467 . 7 1 1 A 44 44 THR N N 44 113.165 111.028 2.137 1
1 468 . 7 1 1 A 44 44 THR H H 44 8.918 8.614 0.304 1
1 469 . 7 1 1 A 44 44 THR CA C 44 60.337 60.633 -0.296 1
1 470 . 7 1 1 A 44 44 THR HA H 44 4.625 4.832 -0.207 1
1 471 . 7 1 1 A 44 44 THR CB C 44 72.316 71.332 0.984 1
1 477 . 7 1 1 A 44 44 THR C C 44 177.134 174.940 2.194 1
1 478 . 7 1 1 A 45 45 LYS N N 45 121.142 118.924 2.218 1
1 479 . 7 1 1 A 45 45 LYS H H 45 9.432 8.922 0.510 1
1 480 . 7 1 1 A 45 45 LYS CA C 45 59.938 59.019 0.919 1
1 481 . 7 1 1 A 45 45 LYS HA H 45 4.137 4.150 -0.013 1
1 482 . 7 1 1 A 45 45 LYS CB C 45 32.188 32.367 -0.179 1
1 494 . 7 1 1 A 45 45 LYS C C 45 177.330 178.591 -1.261 1
1 495 . 7 1 1 A 46 46 GLU N N 46 120.446 119.415 1.031 1
1 496 . 7 1 1 A 46 46 GLU H H 46 8.577 8.193 0.384 1
1 497 . 7 1 1 A 46 46 GLU CA C 46 61.051 59.032 2.019 1
1 498 . 7 1 1 A 46 46 GLU HA H 46 3.716 3.993 -0.277 1
1 499 . 7 1 1 A 46 46 GLU CB C 46 28.270 29.357 -1.087 1
1 505 . 7 1 1 A 46 46 GLU C C 46 178.200 178.973 -0.773 1
1 506 . 7 1 1 A 47 47 GLU N N 47 119.411 119.678 -0.267 1
1 507 . 7 1 1 A 47 47 GLU H H 47 7.874 7.492 0.382 1
1 508 . 7 1 1 A 47 47 GLU CA C 47 59.209 59.160 0.049 1
1 509 . 7 1 1 A 47 47 GLU HA H 47 4.139 4.192 -0.053 1
1 510 . 7 1 1 A 47 47 GLU CB C 47 30.970 30.284 0.686 1
1 516 . 7 1 1 A 47 47 GLU C C 47 180.380 179.058 1.322 1
1 517 . 7 1 1 A 48 48 CYS N N 48 117.778 119.278 -1.500 1
1 518 . 7 1 1 A 48 48 CYS H H 48 8.354 8.594 -0.240 1
1 519 . 7 1 1 A 48 48 CYS CA C 48 65.002 63.096 1.906 1
1 520 . 7 1 1 A 48 48 CYS HA H 48 4.331 4.405 -0.074 1
1 521 . 7 1 1 A 48 48 CYS CB C 48 27.262 27.437 -0.175 1
1 524 . 7 1 1 A 48 48 CYS C C 48 174.443 176.729 -2.286 1
1 525 . 7 1 1 A 49 49 ARG N N 49 121.012 120.185 0.827 1
1 526 . 7 1 1 A 49 49 ARG H H 49 7.364 7.415 -0.051 1
1 527 . 7 1 1 A 49 49 ARG CA C 49 58.352 58.228 0.124 1
1 528 . 7 1 1 A 49 49 ARG HA H 49 1.940 1.378 0.562 1
1 529 . 7 1 1 A 49 49 ARG CB C 49 29.691 29.103 0.588 1
1 538 . 7 1 1 A 49 49 ARG C C 49 177.306 177.599 -0.293 1
1 539 . 7 1 1 A 50 50 ASP N N 50 116.931 118.826 -1.895 1
1 540 . 7 1 1 A 50 50 ASP H H 50 8.183 8.098 0.085 1
1 541 . 7 1 1 A 50 50 ASP CA C 50 57.267 56.682 0.585 1
1 542 . 7 1 1 A 50 50 ASP HA H 50 4.170 4.297 -0.127 1
1 543 . 7 1 1 A 50 50 ASP CB C 50 40.569 41.353 -0.784 1
1 546 . 7 1 1 A 50 50 ASP C C 50 178.695 178.440 0.255 1
1 547 . 7 1 1 A 51 51 HIS N N 51 116.759 119.842 -3.083 1
1 548 . 7 1 1 A 51 51 HIS H H 51 8.276 8.320 -0.044 1
1 549 . 7 1 1 A 51 51 HIS CA C 51 59.374 59.071 0.303 1
1 550 . 7 1 1 A 51 51 HIS HA H 51 3.986 4.151 -0.165 1
1 551 . 7 1 1 A 51 51 HIS CB C 51 28.534 29.606 -1.072 1
1 558 . 7 1 1 A 51 51 HIS C C 51 177.514 176.890 0.624 1
1 559 . 7 1 1 A 52 52 TYR N N 52 121.013 119.811 1.202 1
1 560 . 7 1 1 A 52 52 TYR H H 52 8.364 7.525 0.839 1
1 561 . 7 1 1 A 52 52 TYR CA C 52 62.363 60.763 1.600 1
1 562 . 7 1 1 A 52 52 TYR HA H 52 3.951 3.877 0.074 1
1 563 . 7 1 1 A 52 52 TYR CB C 52 39.610 38.526 1.084 1
1 574 . 7 1 1 A 52 52 TYR C C 52 177.492 177.237 0.255 1
1 575 . 7 1 1 A 53 53 LEU N N 53 117.616 119.631 -2.015 1
1 576 . 7 1 1 A 53 53 LEU H H 53 8.354 7.593 0.761 1
1 577 . 7 1 1 A 53 53 LEU CA C 53 57.261 55.885 1.376 1
1 578 . 7 1 1 A 53 53 LEU HA H 53 3.985 4.348 -0.363 1
1 579 . 7 1 1 A 53 53 LEU CB C 53 41.403 41.989 -0.586 1
1 592 . 7 1 1 A 53 53 LEU C C 53 178.921 177.684 1.237 1
1 593 . 7 1 1 A 54 54 LYS N N 54 116.037 116.390 -0.353 1
1 594 . 7 1 1 A 54 54 LYS H H 54 7.468 7.548 -0.080 1
1 595 . 7 1 1 A 54 54 LYS CA C 54 57.859 57.265 0.594 1
1 596 . 7 1 1 A 54 54 LYS HA H 54 4.006 4.469 -0.463 1
1 597 . 7 1 1 A 54 54 LYS CB C 54 32.668 33.968 -1.300 1
1 609 . 7 1 1 A 54 54 LYS C C 54 177.318 178.388 -1.070 1
1 610 . 7 1 1 A 55 55 THR N N 55 111.885 116.790 -4.905 1
1 611 . 7 1 1 A 55 55 THR H H 55 7.259 8.110 -0.851 1
1 612 . 7 1 1 A 55 55 THR CA C 55 63.882 66.142 -2.260 1
1 613 . 7 1 1 A 55 55 THR HA H 55 3.864 3.945 -0.081 1
1 614 . 7 1 1 A 55 55 THR CB C 55 69.759 68.995 0.764 1
1 620 . 7 1 1 A 55 55 THR C C 55 174.423 176.357 -1.934 1
1 621 . 7 1 1 A 56 56 TYR N N 56 120.015 119.191 0.824 1
1 622 . 7 1 1 A 56 56 TYR H H 56 7.767 7.825 -0.058 1
1 623 . 7 1 1 A 56 56 TYR CA C 56 58.699 60.817 -2.118 1
1 624 . 7 1 1 A 56 56 TYR HA H 56 4.388 4.123 0.265 1
1 625 . 7 1 1 A 56 56 TYR CB C 56 38.568 37.984 0.584 1
1 636 . 7 1 1 A 56 56 TYR C C 56 175.031 178.062 -3.031 1
1 637 . 7 1 1 A 57 57 ILE N N 57 121.611 119.924 1.687 1
1 638 . 7 1 1 A 57 57 ILE H H 57 7.376 7.817 -0.441 1
1 639 . 7 1 1 A 57 57 ILE CA C 57 60.560 65.215 -4.655 1
1 640 . 7 1 1 A 57 57 ILE HA H 57 4.155 3.721 0.434 1
1 641 . 7 1 1 A 57 57 ILE CB C 57 38.585 37.601 0.984 1
1 654 . 7 1 1 A 57 57 ILE C C 57 175.122 178.574 -3.452 1
1 1 . 8 1 1 A 3 3 SER CA C 3 58.574 57.531 1.043 1
1 2 . 8 1 1 A 3 3 SER HA H 3 4.477 5.024 -0.547 1
1 3 . 8 1 1 A 3 3 SER CB C 3 63.686 63.629 0.057 1
1 5 . 8 1 1 A 3 3 SER C C 3 175.067 173.877 1.190 1
1 6 . 8 1 1 A 4 4 GLY N N 4 111.014 113.293 -2.279 1
1 7 . 8 1 1 A 4 4 GLY H H 4 8.466 8.642 -0.176 1
1 8 . 8 1 1 A 4 4 GLY CA C 4 45.338 45.295 0.043 1
1 9 . 8 1 1 A 4 4 GLY HA2 H 4 4.006 4.313 -0.307 1
1 10 . 8 1 1 A 4 4 GLY C C 4 174.344 172.972 1.372 1
1 11 . 8 1 1 A 5 5 SER N N 5 115.891 119.458 -3.567 1
1 12 . 8 1 1 A 5 5 SER H H 5 8.294 8.784 -0.490 1
1 13 . 8 1 1 A 5 5 SER CA C 5 58.277 58.427 -0.150 1
1 14 . 8 1 1 A 5 5 SER HA H 5 4.499 4.448 0.051 1
1 15 . 8 1 1 A 5 5 SER CB C 5 63.850 63.792 0.058 1
1 17 . 8 1 1 A 5 5 SER C C 5 174.840 174.136 0.704 1
1 18 . 8 1 1 A 6 6 SER N N 6 117.946 120.676 -2.730 1
1 19 . 8 1 1 A 6 6 SER H H 6 8.479 8.626 -0.147 1
1 20 . 8 1 1 A 6 6 SER CA C 6 58.632 59.779 -1.147 1
1 21 . 8 1 1 A 6 6 SER HA H 6 4.427 4.314 0.113 1
1 22 . 8 1 1 A 6 6 SER CB C 6 63.855 62.718 1.137 1
1 24 . 8 1 1 A 6 6 SER C C 6 174.852 173.778 1.074 1
1 25 . 8 1 1 A 7 7 GLY N N 7 110.490 113.577 -3.087 1
1 26 . 8 1 1 A 7 7 GLY H H 7 8.354 8.348 0.006 1
1 27 . 8 1 1 A 7 7 GLY CA C 7 45.231 45.666 -0.435 1
1 28 . 8 1 1 A 7 7 GLY HA2 H 7 3.836 3.963 -0.127 1
1 29 . 8 1 1 A 7 7 GLY HA3 H 7 3.898 4.067 -0.169 1
1 30 . 8 1 1 A 7 7 GLY C C 7 173.829 172.217 1.612 1
1 31 . 8 1 1 A 8 8 PHE N N 8 119.865 122.775 -2.910 1
1 32 . 8 1 1 A 8 8 PHE H H 8 8.094 9.128 -1.034 1
1 33 . 8 1 1 A 8 8 PHE CA C 8 57.501 56.525 0.976 1
1 34 . 8 1 1 A 8 8 PHE HA H 8 4.666 4.991 -0.325 1
1 35 . 8 1 1 A 8 8 PHE CB C 8 39.743 42.728 -2.985 1
1 48 . 8 1 1 A 8 8 PHE C C 8 175.564 174.363 1.201 1
1 49 . 8 1 1 A 9 9 ASP N N 9 122.084 121.079 1.005 1
1 50 . 8 1 1 A 9 9 ASP H H 9 8.516 8.883 -0.367 1
1 51 . 8 1 1 A 9 9 ASP CA C 9 54.372 54.560 -0.188 1
1 52 . 8 1 1 A 9 9 ASP HA H 9 4.599 4.759 -0.160 1
1 53 . 8 1 1 A 9 9 ASP CB C 9 41.429 40.548 0.881 1
1 56 . 8 1 1 A 9 9 ASP C C 9 176.168 176.797 -0.629 1
1 57 . 8 1 1 A 10 10 GLU N N 10 121.747 120.622 1.125 1
1 58 . 8 1 1 A 10 10 GLU H H 10 8.489 8.551 -0.062 1
1 59 . 8 1 1 A 10 10 GLU CA C 10 56.705 55.167 1.538 1
1 60 . 8 1 1 A 10 10 GLU HA H 10 4.359 4.804 -0.445 1
1 61 . 8 1 1 A 10 10 GLU CB C 10 30.039 29.317 0.722 1
1 67 . 8 1 1 A 10 10 GLU C C 10 176.584 177.578 -0.994 1
1 68 . 8 1 1 A 11 11 ASN N N 11 119.867 119.466 0.401 1
1 69 . 8 1 1 A 11 11 ASN H H 11 8.479 8.491 -0.012 1
1 70 . 8 1 1 A 11 11 ASN CA C 11 53.332 56.384 -3.052 1
1 71 . 8 1 1 A 11 11 ASN HA H 11 4.791 4.527 0.264 1
1 72 . 8 1 1 A 11 11 ASN CB C 11 38.906 38.819 0.087 1
1 78 . 8 1 1 A 11 11 ASN C C 11 175.284 176.756 -1.472 1
1 79 . 8 1 1 A 12 12 TRP N N 12 124.246 118.564 5.682 1
1 80 . 8 1 1 A 12 12 TRP H H 12 8.819 8.152 0.667 1
1 81 . 8 1 1 A 12 12 TRP CA C 12 57.447 57.545 -0.098 1
1 82 . 8 1 1 A 12 12 TRP HA H 12 4.338 4.599 -0.261 1
1 83 . 8 1 1 A 12 12 TRP CB C 12 29.096 30.310 -1.214 1
1 98 . 8 1 1 A 12 12 TRP C C 12 177.403 177.125 0.278 1
1 99 . 8 1 1 A 13 13 GLY N N 13 112.578 110.002 2.576 1
1 100 . 8 1 1 A 13 13 GLY H H 13 9.662 8.905 0.757 1
1 101 . 8 1 1 A 13 13 GLY CA C 13 44.383 44.502 -0.119 1
1 102 . 8 1 1 A 13 13 GLY HA2 H 13 4.315 4.127 0.188 1
1 103 . 8 1 1 A 13 13 GLY HA3 H 13 3.989 4.157 -0.168 1
1 104 . 8 1 1 A 13 13 GLY C C 13 174.443 174.777 -0.334 1
1 105 . 8 1 1 A 14 14 ALA N N 14 124.409 122.416 1.993 1
1 106 . 8 1 1 A 14 14 ALA H H 14 8.805 8.776 0.029 1
1 107 . 8 1 1 A 14 14 ALA CA C 14 55.635 54.479 1.156 1
1 108 . 8 1 1 A 14 14 ALA HA H 14 4.225 4.071 0.154 1
1 109 . 8 1 1 A 14 14 ALA CB C 14 18.565 18.217 0.348 1
1 113 . 8 1 1 A 14 14 ALA C C 14 180.546 179.413 1.133 1
1 114 . 8 1 1 A 15 15 ASP N N 15 115.685 117.695 -2.010 1
1 115 . 8 1 1 A 15 15 ASP H H 15 8.825 8.269 0.556 1
1 116 . 8 1 1 A 15 15 ASP CA C 15 56.775 57.288 -0.513 1
1 117 . 8 1 1 A 15 15 ASP HA H 15 4.416 4.395 0.021 1
1 118 . 8 1 1 A 15 15 ASP CB C 15 39.188 40.458 -1.270 1
1 121 . 8 1 1 A 15 15 ASP C C 15 178.981 178.324 0.657 1
1 122 . 8 1 1 A 16 16 GLU N N 16 121.445 117.805 3.640 1
1 123 . 8 1 1 A 16 16 GLU H H 16 7.772 8.549 -0.777 1
1 124 . 8 1 1 A 16 16 GLU CA C 16 59.380 58.791 0.589 1
1 125 . 8 1 1 A 16 16 GLU HA H 16 4.203 4.223 -0.020 1
1 126 . 8 1 1 A 16 16 GLU CB C 16 30.556 28.568 1.988 1
1 132 . 8 1 1 A 16 16 GLU C C 16 178.517 178.521 -0.004 1
1 133 . 8 1 1 A 17 17 GLU N N 17 118.709 119.524 -0.815 1
1 134 . 8 1 1 A 17 17 GLU H H 17 8.363 8.333 0.030 1
1 135 . 8 1 1 A 17 17 GLU CA C 17 59.820 59.461 0.359 1
1 136 . 8 1 1 A 17 17 GLU HA H 17 4.429 4.433 -0.004 1
1 137 . 8 1 1 A 17 17 GLU CB C 17 29.774 29.624 0.150 1
1 143 . 8 1 1 A 17 17 GLU C C 17 179.029 179.196 -0.167 1
1 144 . 8 1 1 A 18 18 LEU N N 18 118.004 122.524 -4.520 1
1 145 . 8 1 1 A 18 18 LEU H H 18 7.650 8.409 -0.759 1
1 146 . 8 1 1 A 18 18 LEU CA C 18 58.128 57.685 0.443 1
1 147 . 8 1 1 A 18 18 LEU HA H 18 4.212 4.217 -0.005 1
1 148 . 8 1 1 A 18 18 LEU CB C 18 41.700 41.988 -0.288 1
1 161 . 8 1 1 A 18 18 LEU C C 18 179.871 178.417 1.454 1
1 162 . 8 1 1 A 19 19 LEU N N 19 119.600 118.936 0.664 1
1 163 . 8 1 1 A 19 19 LEU H H 19 7.783 8.198 -0.415 1
1 164 . 8 1 1 A 19 19 LEU CA C 19 58.106 58.283 -0.177 1
1 165 . 8 1 1 A 19 19 LEU HA H 19 4.390 4.110 0.280 1
1 166 . 8 1 1 A 19 19 LEU CB C 19 43.169 41.994 1.175 1
1 179 . 8 1 1 A 19 19 LEU C C 19 178.634 179.088 -0.454 1
1 180 . 8 1 1 A 20 20 LEU N N 20 120.243 119.685 0.558 1
1 181 . 8 1 1 A 20 20 LEU H H 20 8.364 7.831 0.533 1
1 182 . 8 1 1 A 20 20 LEU CA C 20 58.390 58.980 -0.590 1
1 183 . 8 1 1 A 20 20 LEU HA H 20 4.083 4.156 -0.073 1
1 184 . 8 1 1 A 20 20 LEU CB C 20 42.005 42.409 -0.404 1
1 197 . 8 1 1 A 20 20 LEU C C 20 178.135 178.332 -0.197 1
1 198 . 8 1 1 A 21 21 ILE N N 21 119.379 119.801 -0.422 1
1 199 . 8 1 1 A 21 21 ILE H H 21 8.133 8.335 -0.202 1
1 200 . 8 1 1 A 21 21 ILE CA C 21 64.962 65.790 -0.828 1
1 201 . 8 1 1 A 21 21 ILE HA H 21 3.685 3.555 0.130 1
1 202 . 8 1 1 A 21 21 ILE CB C 21 37.895 38.174 -0.279 1
1 215 . 8 1 1 A 21 21 ILE C C 21 178.423 177.807 0.616 1
1 216 . 8 1 1 A 22 22 ASP N N 22 120.464 120.536 -0.072 1
1 217 . 8 1 1 A 22 22 ASP H H 22 8.203 8.704 -0.501 1
1 218 . 8 1 1 A 22 22 ASP CA C 22 57.332 57.614 -0.282 1
1 219 . 8 1 1 A 22 22 ASP HA H 22 4.400 4.313 0.087 1
1 220 . 8 1 1 A 22 22 ASP CB C 22 41.023 40.400 0.623 1
1 223 . 8 1 1 A 22 22 ASP C C 22 179.117 178.675 0.442 1
1 224 . 8 1 1 A 23 23 ALA N N 23 123.634 122.089 1.545 1
1 225 . 8 1 1 A 23 23 ALA H H 23 8.819 8.326 0.493 1
1 226 . 8 1 1 A 23 23 ALA CA C 23 55.058 54.702 0.356 1
1 227 . 8 1 1 A 23 23 ALA HA H 23 3.050 3.731 -0.681 1
1 228 . 8 1 1 A 23 23 ALA CB C 23 20.405 18.246 2.159 1
1 232 . 8 1 1 A 23 23 ALA C C 23 179.042 179.687 -0.645 1
1 233 . 8 1 1 A 24 24 CYS N N 24 115.941 116.421 -0.480 1
1 234 . 8 1 1 A 24 24 CYS H H 24 8.227 8.253 -0.026 1
1 235 . 8 1 1 A 24 24 CYS CA C 24 63.657 63.078 0.579 1
1 236 . 8 1 1 A 24 24 CYS HA H 24 3.524 3.773 -0.249 1
1 237 . 8 1 1 A 24 24 CYS CB C 24 27.165 26.973 0.192 1
1 240 . 8 1 1 A 24 24 CYS C C 24 177.855 176.541 1.314 1
1 241 . 8 1 1 A 25 25 GLU N N 25 118.624 118.879 -0.255 1
1 242 . 8 1 1 A 25 25 GLU H H 25 8.262 7.698 0.564 1
1 243 . 8 1 1 A 25 25 GLU CA C 25 58.829 57.968 0.861 1
1 244 . 8 1 1 A 25 25 GLU HA H 25 3.974 4.197 -0.223 1
1 245 . 8 1 1 A 25 25 GLU CB C 25 29.896 30.115 -0.219 1
1 251 . 8 1 1 A 25 25 GLU C C 25 178.082 178.903 -0.821 1
1 252 . 8 1 1 A 26 26 THR N N 26 113.708 117.653 -3.945 1
1 253 . 8 1 1 A 26 26 THR H H 26 8.046 8.102 -0.056 1
1 254 . 8 1 1 A 26 26 THR CA C 26 65.448 66.279 -0.831 1
1 255 . 8 1 1 A 26 26 THR HA H 26 4.003 3.902 0.101 1
1 256 . 8 1 1 A 26 26 THR CB C 26 69.475 68.528 0.947 1
1 262 . 8 1 1 A 26 26 THR C C 26 175.986 176.231 -0.245 1
1 263 . 8 1 1 A 27 27 LEU N N 27 119.789 118.686 1.103 1
1 264 . 8 1 1 A 27 27 LEU H H 27 8.609 7.689 0.920 1
1 265 . 8 1 1 A 27 27 LEU CA C 27 55.566 56.528 -0.962 1
1 266 . 8 1 1 A 27 27 LEU HA H 27 4.238 3.924 0.314 1
1 267 . 8 1 1 A 27 27 LEU CB C 27 42.130 42.496 -0.366 1
1 280 . 8 1 1 A 27 27 LEU C C 27 179.075 177.417 1.658 1
1 281 . 8 1 1 A 28 28 GLY N N 28 107.009 105.878 1.131 1
1 282 . 8 1 1 A 28 28 GLY H H 28 6.965 7.938 -0.973 1
1 283 . 8 1 1 A 28 28 GLY CA C 28 44.545 44.436 0.109 1
1 284 . 8 1 1 A 28 28 GLY HA2 H 28 4.057 3.882 0.175 1
1 285 . 8 1 1 A 28 28 GLY HA3 H 28 3.664 3.910 -0.246 1
1 286 . 8 1 1 A 28 28 GLY C C 28 173.046 174.826 -1.780 1
1 287 . 8 1 1 A 29 29 LEU N N 29 117.364 121.792 -4.428 1
1 288 . 8 1 1 A 29 29 LEU H H 29 7.960 8.496 -0.536 1
1 289 . 8 1 1 A 29 29 LEU CA C 29 54.626 57.024 -2.398 1
1 290 . 8 1 1 A 29 29 LEU HA H 29 3.487 3.285 0.202 1
1 291 . 8 1 1 A 29 29 LEU CB C 29 40.949 40.895 0.054 1
1 304 . 8 1 1 A 29 29 LEU C C 29 177.460 178.824 -1.364 1
1 305 . 8 1 1 A 30 30 GLY N N 30 106.469 106.410 0.059 1
1 306 . 8 1 1 A 30 30 GLY H H 30 7.503 7.988 -0.485 1
1 307 . 8 1 1 A 30 30 GLY CA C 30 46.003 47.075 -1.072 1
1 308 . 8 1 1 A 30 30 GLY HA2 H 30 3.781 3.776 0.005 1
1 309 . 8 1 1 A 30 30 GLY HA3 H 30 3.638 3.786 -0.148 1
1 310 . 8 1 1 A 30 30 GLY C C 30 174.269 174.407 -0.138 1
1 311 . 8 1 1 A 31 31 ASN N N 31 117.981 117.086 0.895 1
1 312 . 8 1 1 A 31 31 ASN H H 31 7.643 7.774 -0.131 1
1 313 . 8 1 1 A 31 31 ASN CA C 31 52.135 51.706 0.429 1
1 314 . 8 1 1 A 31 31 ASN HA H 31 4.899 4.922 -0.023 1
1 315 . 8 1 1 A 31 31 ASN CB C 31 38.492 38.686 -0.194 1
1 321 . 8 1 1 A 31 31 ASN C C 31 176.436 175.199 1.237 1
1 322 . 8 1 1 A 32 32 TRP N N 32 124.932 123.934 0.998 1
1 323 . 8 1 1 A 32 32 TRP H H 32 8.638 8.234 0.404 1
1 324 . 8 1 1 A 32 32 TRP CA C 32 60.578 59.865 0.713 1
1 325 . 8 1 1 A 32 32 TRP HA H 32 4.257 4.301 -0.044 1
1 326 . 8 1 1 A 32 32 TRP CB C 32 29.185 29.284 -0.099 1
1 341 . 8 1 1 A 32 32 TRP C C 32 177.477 178.575 -1.098 1
1 342 . 8 1 1 A 33 33 ALA N N 33 123.791 122.122 1.669 1
1 343 . 8 1 1 A 33 33 ALA H H 33 8.522 8.318 0.204 1
1 344 . 8 1 1 A 33 33 ALA CA C 33 55.609 55.361 0.248 1
1 345 . 8 1 1 A 33 33 ALA HA H 33 4.245 4.154 0.091 1
1 346 . 8 1 1 A 33 33 ALA CB C 33 17.931 18.550 -0.619 1
1 350 . 8 1 1 A 33 33 ALA C C 33 179.868 179.504 0.364 1
1 351 . 8 1 1 A 34 34 ASP N N 34 118.553 118.061 0.492 1
1 352 . 8 1 1 A 34 34 ASP H H 34 7.463 7.947 -0.484 1
1 353 . 8 1 1 A 34 34 ASP CA C 34 56.937 57.453 -0.516 1
1 354 . 8 1 1 A 34 34 ASP HA H 34 4.378 4.393 -0.015 1
1 355 . 8 1 1 A 34 34 ASP CB C 34 40.089 40.949 -0.860 1
1 358 . 8 1 1 A 34 34 ASP C C 34 179.385 178.458 0.927 1
1 359 . 8 1 1 A 35 35 ILE N N 35 121.343 119.329 2.014 1
1 360 . 8 1 1 A 35 35 ILE H H 35 7.308 7.683 -0.375 1
1 361 . 8 1 1 A 35 35 ILE CA C 35 64.900 65.571 -0.671 1
1 362 . 8 1 1 A 35 35 ILE HA H 35 3.528 3.917 -0.389 1
1 363 . 8 1 1 A 35 35 ILE CB C 35 37.842 37.545 0.297 1
1 376 . 8 1 1 A 35 35 ILE C C 35 176.832 178.243 -1.411 1
1 377 . 8 1 1 A 36 36 ALA N N 36 122.328 122.087 0.241 1
1 378 . 8 1 1 A 36 36 ALA H H 36 8.446 8.714 -0.268 1
1 379 . 8 1 1 A 36 36 ALA CA C 36 55.724 55.950 -0.226 1
1 380 . 8 1 1 A 36 36 ALA HA H 36 4.281 4.150 0.131 1
1 381 . 8 1 1 A 36 36 ALA CB C 36 17.153 18.351 -1.198 1
1 385 . 8 1 1 A 36 36 ALA C C 36 181.002 179.188 1.814 1
1 386 . 8 1 1 A 37 37 ASP N N 37 119.092 118.532 0.560 1
1 387 . 8 1 1 A 37 37 ASP H H 37 7.997 7.792 0.205 1
1 388 . 8 1 1 A 37 37 ASP CA C 37 57.105 57.006 0.099 1
1 389 . 8 1 1 A 37 37 ASP HA H 37 4.392 4.463 -0.071 1
1 390 . 8 1 1 A 37 37 ASP CB C 37 40.808 41.269 -0.461 1
1 393 . 8 1 1 A 37 37 ASP C C 37 177.292 178.168 -0.876 1
1 394 . 8 1 1 A 38 38 TYR N N 38 121.825 121.009 0.816 1
1 395 . 8 1 1 A 38 38 TYR H H 38 7.648 7.923 -0.275 1
1 396 . 8 1 1 A 38 38 TYR CA C 38 60.838 61.278 -0.440 1
1 397 . 8 1 1 A 38 38 TYR HA H 38 4.046 4.193 -0.147 1
1 398 . 8 1 1 A 38 38 TYR CB C 38 39.411 38.632 0.779 1
1 409 . 8 1 1 A 38 38 TYR C C 38 177.306 177.215 0.091 1
1 410 . 8 1 1 A 39 39 VAL N N 39 118.437 118.810 -0.373 1
1 411 . 8 1 1 A 39 39 VAL H H 39 8.306 8.418 -0.112 1
1 412 . 8 1 1 A 39 39 VAL CA C 39 65.398 65.406 -0.008 1
1 413 . 8 1 1 A 39 39 VAL HA H 39 3.707 3.885 -0.178 1
1 414 . 8 1 1 A 39 39 VAL CB C 39 32.833 32.055 0.778 1
1 424 . 8 1 1 A 39 39 VAL C C 39 177.244 177.014 0.230 1
1 425 . 8 1 1 A 40 40 GLY N N 40 105.738 109.219 -3.481 1
1 426 . 8 1 1 A 40 40 GLY H H 40 8.117 7.917 0.200 1
1 427 . 8 1 1 A 40 40 GLY CA C 40 45.890 46.222 -0.332 1
1 428 . 8 1 1 A 40 40 GLY HA2 H 40 3.896 3.883 0.013 1
1 429 . 8 1 1 A 40 40 GLY HA3 H 40 3.694 3.897 -0.203 1
1 430 . 8 1 1 A 40 40 GLY C C 40 173.930 174.907 -0.977 1
1 431 . 8 1 1 A 41 41 ASN N N 41 116.713 119.175 -2.462 1
1 432 . 8 1 1 A 41 41 ASN H H 41 8.620 9.057 -0.437 1
1 433 . 8 1 1 A 41 41 ASN CA C 41 54.192 54.421 -0.229 1
1 434 . 8 1 1 A 41 41 ASN HA H 41 4.253 4.284 -0.031 1
1 435 . 8 1 1 A 41 41 ASN CB C 41 38.370 36.763 1.607 1
1 441 . 8 1 1 A 41 41 ASN C C 41 173.935 174.501 -0.566 1
1 442 . 8 1 1 A 42 42 ALA N N 42 115.074 113.158 1.916 1
1 443 . 8 1 1 A 42 42 ALA H H 42 8.425 8.222 0.203 1
1 444 . 8 1 1 A 42 42 ALA CA C 42 52.968 53.466 -0.498 1
1 445 . 8 1 1 A 42 42 ALA HA H 42 3.876 3.833 0.043 1
1 446 . 8 1 1 A 42 42 ALA CB C 42 17.871 17.550 0.321 1
1 450 . 8 1 1 A 42 42 ALA C C 42 177.531 176.077 1.454 1
1 451 . 8 1 1 A 43 43 ARG N N 43 119.427 116.137 3.290 1
1 452 . 8 1 1 A 43 43 ARG H H 43 7.773 7.425 0.348 1
1 453 . 8 1 1 A 43 43 ARG CA C 43 54.411 53.994 0.417 1
1 454 . 8 1 1 A 43 43 ARG HA H 43 4.447 4.954 -0.507 1
1 455 . 8 1 1 A 43 43 ARG CB C 43 30.954 33.777 -2.823 1
1 466 . 8 1 1 A 43 43 ARG C C 43 177.734 174.328 3.406 1
1 467 . 8 1 1 A 44 44 THR N N 44 113.165 113.792 -0.627 1
1 468 . 8 1 1 A 44 44 THR H H 44 8.918 8.484 0.434 1
1 469 . 8 1 1 A 44 44 THR CA C 44 60.337 60.603 -0.266 1
1 470 . 8 1 1 A 44 44 THR HA H 44 4.625 4.938 -0.313 1
1 471 . 8 1 1 A 44 44 THR CB C 44 72.316 70.263 2.053 1
1 477 . 8 1 1 A 44 44 THR C C 44 177.134 174.584 2.550 1
1 478 . 8 1 1 A 45 45 LYS N N 45 121.142 125.028 -3.886 1
1 479 . 8 1 1 A 45 45 LYS H H 45 9.432 8.874 0.558 1
1 480 . 8 1 1 A 45 45 LYS CA C 45 59.938 59.257 0.681 1
1 481 . 8 1 1 A 45 45 LYS HA H 45 4.137 4.117 0.020 1
1 482 . 8 1 1 A 45 45 LYS CB C 45 32.188 31.976 0.212 1
1 494 . 8 1 1 A 45 45 LYS C C 45 177.330 178.073 -0.743 1
1 495 . 8 1 1 A 46 46 GLU N N 46 120.446 119.796 0.650 1
1 496 . 8 1 1 A 46 46 GLU H H 46 8.577 8.594 -0.017 1
1 497 . 8 1 1 A 46 46 GLU CA C 46 61.051 59.653 1.398 1
1 498 . 8 1 1 A 46 46 GLU HA H 46 3.716 3.919 -0.203 1
1 499 . 8 1 1 A 46 46 GLU CB C 46 28.270 29.296 -1.026 1
1 505 . 8 1 1 A 46 46 GLU C C 46 178.200 179.297 -1.097 1
1 506 . 8 1 1 A 47 47 GLU N N 47 119.411 118.910 0.501 1
1 507 . 8 1 1 A 47 47 GLU H H 47 7.874 8.117 -0.243 1
1 508 . 8 1 1 A 47 47 GLU CA C 47 59.209 59.111 0.098 1
1 509 . 8 1 1 A 47 47 GLU HA H 47 4.139 4.203 -0.064 1
1 510 . 8 1 1 A 47 47 GLU CB C 47 30.970 30.309 0.661 1
1 516 . 8 1 1 A 47 47 GLU C C 47 180.380 179.038 1.342 1
1 517 . 8 1 1 A 48 48 CYS N N 48 117.778 118.985 -1.207 1
1 518 . 8 1 1 A 48 48 CYS H H 48 8.354 8.617 -0.263 1
1 519 . 8 1 1 A 48 48 CYS CA C 48 65.002 63.133 1.869 1
1 520 . 8 1 1 A 48 48 CYS HA H 48 4.331 4.433 -0.102 1
1 521 . 8 1 1 A 48 48 CYS CB C 48 27.262 27.269 -0.007 1
1 524 . 8 1 1 A 48 48 CYS C C 48 174.443 177.262 -2.819 1
1 525 . 8 1 1 A 49 49 ARG N N 49 121.012 120.960 0.052 1
1 526 . 8 1 1 A 49 49 ARG H H 49 7.364 7.862 -0.498 1
1 527 . 8 1 1 A 49 49 ARG CA C 49 58.352 58.358 -0.006 1
1 528 . 8 1 1 A 49 49 ARG HA H 49 1.940 1.564 0.376 1
1 529 . 8 1 1 A 49 49 ARG CB C 49 29.691 29.269 0.422 1
1 538 . 8 1 1 A 49 49 ARG C C 49 177.306 177.969 -0.663 1
1 539 . 8 1 1 A 50 50 ASP N N 50 116.931 118.332 -1.401 1
1 540 . 8 1 1 A 50 50 ASP H H 50 8.183 8.058 0.125 1
1 541 . 8 1 1 A 50 50 ASP CA C 50 57.267 57.221 0.046 1
1 542 . 8 1 1 A 50 50 ASP HA H 50 4.170 4.122 0.048 1
1 543 . 8 1 1 A 50 50 ASP CB C 50 40.569 40.471 0.098 1
1 546 . 8 1 1 A 50 50 ASP C C 50 178.695 178.592 0.103 1
1 547 . 8 1 1 A 51 51 HIS N N 51 116.759 119.892 -3.133 1
1 548 . 8 1 1 A 51 51 HIS H H 51 8.276 8.505 -0.229 1
1 549 . 8 1 1 A 51 51 HIS CA C 51 59.374 59.183 0.191 1
1 550 . 8 1 1 A 51 51 HIS HA H 51 3.986 4.032 -0.046 1
1 551 . 8 1 1 A 51 51 HIS CB C 51 28.534 29.704 -1.170 1
1 558 . 8 1 1 A 51 51 HIS C C 51 177.514 176.754 0.760 1
1 559 . 8 1 1 A 52 52 TYR N N 52 121.013 119.968 1.045 1
1 560 . 8 1 1 A 52 52 TYR H H 52 8.364 7.493 0.871 1
1 561 . 8 1 1 A 52 52 TYR CA C 52 62.363 61.219 1.144 1
1 562 . 8 1 1 A 52 52 TYR HA H 52 3.951 4.124 -0.173 1
1 563 . 8 1 1 A 52 52 TYR CB C 52 39.610 38.500 1.110 1
1 574 . 8 1 1 A 52 52 TYR C C 52 177.492 177.279 0.213 1
1 575 . 8 1 1 A 53 53 LEU N N 53 117.616 119.597 -1.981 1
1 576 . 8 1 1 A 53 53 LEU H H 53 8.354 7.692 0.662 1
1 577 . 8 1 1 A 53 53 LEU CA C 53 57.261 56.317 0.944 1
1 578 . 8 1 1 A 53 53 LEU HA H 53 3.985 4.319 -0.334 1
1 579 . 8 1 1 A 53 53 LEU CB C 53 41.403 41.830 -0.427 1
1 592 . 8 1 1 A 53 53 LEU C C 53 178.921 177.748 1.173 1
1 593 . 8 1 1 A 54 54 LYS N N 54 116.037 116.795 -0.758 1
1 594 . 8 1 1 A 54 54 LYS H H 54 7.468 8.062 -0.594 1
1 595 . 8 1 1 A 54 54 LYS CA C 54 57.859 57.314 0.545 1
1 596 . 8 1 1 A 54 54 LYS HA H 54 4.006 4.395 -0.389 1
1 597 . 8 1 1 A 54 54 LYS CB C 54 32.668 33.650 -0.982 1
1 609 . 8 1 1 A 54 54 LYS C C 54 177.318 178.226 -0.908 1
1 610 . 8 1 1 A 55 55 THR N N 55 111.885 116.147 -4.262 1
1 611 . 8 1 1 A 55 55 THR H H 55 7.259 7.848 -0.589 1
1 612 . 8 1 1 A 55 55 THR CA C 55 63.882 65.124 -1.242 1
1 613 . 8 1 1 A 55 55 THR HA H 55 3.864 3.931 -0.067 1
1 614 . 8 1 1 A 55 55 THR CB C 55 69.759 68.892 0.867 1
1 620 . 8 1 1 A 55 55 THR C C 55 174.423 175.324 -0.901 1
1 621 . 8 1 1 A 56 56 TYR N N 56 120.015 118.278 1.737 1
1 622 . 8 1 1 A 56 56 TYR H H 56 7.767 7.849 -0.082 1
1 623 . 8 1 1 A 56 56 TYR CA C 56 58.699 60.600 -1.901 1
1 624 . 8 1 1 A 56 56 TYR HA H 56 4.388 4.192 0.196 1
1 625 . 8 1 1 A 56 56 TYR CB C 56 38.568 38.574 -0.006 1
1 636 . 8 1 1 A 56 56 TYR C C 56 175.031 178.177 -3.146 1
1 637 . 8 1 1 A 57 57 ILE N N 57 121.611 120.076 1.535 1
1 638 . 8 1 1 A 57 57 ILE H H 57 7.376 8.526 -1.150 1
1 639 . 8 1 1 A 57 57 ILE CA C 57 60.560 65.142 -4.582 1
1 640 . 8 1 1 A 57 57 ILE HA H 57 4.155 3.719 0.436 1
1 641 . 8 1 1 A 57 57 ILE CB C 57 38.585 37.856 0.729 1
1 654 . 8 1 1 A 57 57 ILE C C 57 175.122 177.869 -2.747 1
1 1 . 9 1 1 A 3 3 SER CA C 3 58.574 57.929 0.645 1
1 2 . 9 1 1 A 3 3 SER HA H 3 4.477 4.693 -0.216 1
1 3 . 9 1 1 A 3 3 SER CB C 3 63.686 63.515 0.171 1
1 5 . 9 1 1 A 3 3 SER C C 3 175.067 173.960 1.107 1
1 6 . 9 1 1 A 4 4 GLY N N 4 111.014 109.711 1.303 1
1 7 . 9 1 1 A 4 4 GLY H H 4 8.466 7.873 0.593 1
1 8 . 9 1 1 A 4 4 GLY CA C 4 45.338 45.084 0.254 1
1 9 . 9 1 1 A 4 4 GLY HA2 H 4 4.006 4.036 -0.030 1
1 10 . 9 1 1 A 4 4 GLY C C 4 174.344 174.280 0.064 1
1 11 . 9 1 1 A 5 5 SER N N 5 115.891 120.561 -4.670 1
1 12 . 9 1 1 A 5 5 SER H H 5 8.294 8.584 -0.290 1
1 13 . 9 1 1 A 5 5 SER CA C 5 58.277 59.222 -0.945 1
1 14 . 9 1 1 A 5 5 SER HA H 5 4.499 4.625 -0.126 1
1 15 . 9 1 1 A 5 5 SER CB C 5 63.850 63.594 0.256 1
1 17 . 9 1 1 A 5 5 SER C C 5 174.840 173.913 0.927 1
1 18 . 9 1 1 A 6 6 SER N N 6 117.946 120.588 -2.642 1
1 19 . 9 1 1 A 6 6 SER H H 6 8.479 8.586 -0.107 1
1 20 . 9 1 1 A 6 6 SER CA C 6 58.632 57.335 1.297 1
1 21 . 9 1 1 A 6 6 SER HA H 6 4.427 5.028 -0.601 1
1 22 . 9 1 1 A 6 6 SER CB C 6 63.855 67.341 -3.486 1
1 24 . 9 1 1 A 6 6 SER C C 6 174.852 173.588 1.264 1
1 25 . 9 1 1 A 7 7 GLY N N 7 110.490 109.825 0.665 1
1 26 . 9 1 1 A 7 7 GLY H H 7 8.354 8.071 0.283 1
1 27 . 9 1 1 A 7 7 GLY CA C 7 45.231 45.507 -0.276 1
1 28 . 9 1 1 A 7 7 GLY HA2 H 7 3.836 4.134 -0.298 1
1 29 . 9 1 1 A 7 7 GLY HA3 H 7 3.898 4.219 -0.321 1
1 30 . 9 1 1 A 7 7 GLY C C 7 173.829 173.371 0.458 1
1 31 . 9 1 1 A 8 8 PHE N N 8 119.865 124.317 -4.452 1
1 32 . 9 1 1 A 8 8 PHE H H 8 8.094 9.142 -1.048 1
1 33 . 9 1 1 A 8 8 PHE CA C 8 57.501 56.600 0.901 1
1 34 . 9 1 1 A 8 8 PHE HA H 8 4.666 4.678 -0.012 1
1 35 . 9 1 1 A 8 8 PHE CB C 8 39.743 37.349 2.394 1
1 48 . 9 1 1 A 8 8 PHE C C 8 175.564 174.861 0.703 1
1 49 . 9 1 1 A 9 9 ASP N N 9 122.084 119.737 2.347 1
1 50 . 9 1 1 A 9 9 ASP H H 9 8.516 7.861 0.655 1
1 51 . 9 1 1 A 9 9 ASP CA C 9 54.372 54.350 0.022 1
1 52 . 9 1 1 A 9 9 ASP HA H 9 4.599 4.661 -0.062 1
1 53 . 9 1 1 A 9 9 ASP CB C 9 41.429 40.817 0.612 1
1 56 . 9 1 1 A 9 9 ASP C C 9 176.168 176.858 -0.690 1
1 57 . 9 1 1 A 10 10 GLU N N 10 121.747 120.544 1.203 1
1 58 . 9 1 1 A 10 10 GLU H H 10 8.489 8.840 -0.351 1
1 59 . 9 1 1 A 10 10 GLU CA C 10 56.705 56.485 0.220 1
1 60 . 9 1 1 A 10 10 GLU HA H 10 4.359 4.635 -0.276 1
1 61 . 9 1 1 A 10 10 GLU CB C 10 30.039 29.180 0.859 1
1 67 . 9 1 1 A 10 10 GLU C C 10 176.584 176.249 0.335 1
1 68 . 9 1 1 A 11 11 ASN N N 11 119.867 120.422 -0.555 1
1 69 . 9 1 1 A 11 11 ASN H H 11 8.479 7.935 0.544 1
1 70 . 9 1 1 A 11 11 ASN CA C 11 53.332 51.925 1.407 1
1 71 . 9 1 1 A 11 11 ASN HA H 11 4.791 5.001 -0.210 1
1 72 . 9 1 1 A 11 11 ASN CB C 11 38.906 38.514 0.392 1
1 78 . 9 1 1 A 11 11 ASN C C 11 175.284 174.159 1.125 1
1 79 . 9 1 1 A 12 12 TRP N N 12 124.246 126.811 -2.565 1
1 80 . 9 1 1 A 12 12 TRP H H 12 8.819 9.082 -0.263 1
1 81 . 9 1 1 A 12 12 TRP CA C 12 57.447 56.977 0.470 1
1 82 . 9 1 1 A 12 12 TRP HA H 12 4.338 4.840 -0.502 1
1 83 . 9 1 1 A 12 12 TRP CB C 12 29.096 30.270 -1.174 1
1 98 . 9 1 1 A 12 12 TRP C C 12 177.403 176.690 0.713 1
1 99 . 9 1 1 A 13 13 GLY N N 13 112.578 108.725 3.853 1
1 100 . 9 1 1 A 13 13 GLY H H 13 9.662 8.849 0.813 1
1 101 . 9 1 1 A 13 13 GLY CA C 13 44.383 44.066 0.317 1
1 102 . 9 1 1 A 13 13 GLY HA2 H 13 4.315 4.388 -0.073 1
1 103 . 9 1 1 A 13 13 GLY HA3 H 13 3.989 4.423 -0.434 1
1 104 . 9 1 1 A 13 13 GLY C C 13 174.443 174.972 -0.529 1
1 105 . 9 1 1 A 14 14 ALA N N 14 124.409 124.564 -0.155 1
1 106 . 9 1 1 A 14 14 ALA H H 14 8.805 9.227 -0.422 1
1 107 . 9 1 1 A 14 14 ALA CA C 14 55.635 54.858 0.777 1
1 108 . 9 1 1 A 14 14 ALA HA H 14 4.225 4.084 0.141 1
1 109 . 9 1 1 A 14 14 ALA CB C 14 18.565 18.234 0.331 1
1 113 . 9 1 1 A 14 14 ALA C C 14 180.546 179.658 0.888 1
1 114 . 9 1 1 A 15 15 ASP N N 15 115.685 118.597 -2.912 1
1 115 . 9 1 1 A 15 15 ASP H H 15 8.825 8.205 0.620 1
1 116 . 9 1 1 A 15 15 ASP CA C 15 56.775 57.374 -0.599 1
1 117 . 9 1 1 A 15 15 ASP HA H 15 4.416 4.395 0.021 1
1 118 . 9 1 1 A 15 15 ASP CB C 15 39.188 40.563 -1.375 1
1 121 . 9 1 1 A 15 15 ASP C C 15 178.981 178.718 0.263 1
1 122 . 9 1 1 A 16 16 GLU N N 16 121.445 117.629 3.816 1
1 123 . 9 1 1 A 16 16 GLU H H 16 7.772 8.544 -0.772 1
1 124 . 9 1 1 A 16 16 GLU CA C 16 59.380 58.633 0.747 1
1 125 . 9 1 1 A 16 16 GLU HA H 16 4.203 4.215 -0.012 1
1 126 . 9 1 1 A 16 16 GLU CB C 16 30.556 28.443 2.113 1
1 132 . 9 1 1 A 16 16 GLU C C 16 178.517 178.566 -0.049 1
1 133 . 9 1 1 A 17 17 GLU N N 17 118.709 119.516 -0.807 1
1 134 . 9 1 1 A 17 17 GLU H H 17 8.363 8.585 -0.222 1
1 135 . 9 1 1 A 17 17 GLU CA C 17 59.820 59.326 0.494 1
1 136 . 9 1 1 A 17 17 GLU HA H 17 4.429 4.454 -0.025 1
1 137 . 9 1 1 A 17 17 GLU CB C 17 29.774 29.652 0.122 1
1 143 . 9 1 1 A 17 17 GLU C C 17 179.029 179.300 -0.271 1
1 144 . 9 1 1 A 18 18 LEU N N 18 118.004 122.343 -4.339 1
1 145 . 9 1 1 A 18 18 LEU H H 18 7.650 8.029 -0.379 1
1 146 . 9 1 1 A 18 18 LEU CA C 18 58.128 57.704 0.424 1
1 147 . 9 1 1 A 18 18 LEU HA H 18 4.212 4.231 -0.019 1
1 148 . 9 1 1 A 18 18 LEU CB C 18 41.700 42.034 -0.334 1
1 161 . 9 1 1 A 18 18 LEU C C 18 179.871 178.414 1.457 1
1 162 . 9 1 1 A 19 19 LEU N N 19 119.600 118.405 1.195 1
1 163 . 9 1 1 A 19 19 LEU H H 19 7.783 8.262 -0.479 1
1 164 . 9 1 1 A 19 19 LEU CA C 19 58.106 58.332 -0.226 1
1 165 . 9 1 1 A 19 19 LEU HA H 19 4.390 4.348 0.042 1
1 166 . 9 1 1 A 19 19 LEU CB C 19 43.169 41.598 1.571 1
1 179 . 9 1 1 A 19 19 LEU C C 19 178.634 178.956 -0.322 1
1 180 . 9 1 1 A 20 20 LEU N N 20 120.243 120.095 0.148 1
1 181 . 9 1 1 A 20 20 LEU H H 20 8.364 7.837 0.527 1
1 182 . 9 1 1 A 20 20 LEU CA C 20 58.390 58.792 -0.402 1
1 183 . 9 1 1 A 20 20 LEU HA H 20 4.083 4.177 -0.094 1
1 184 . 9 1 1 A 20 20 LEU CB C 20 42.005 41.860 0.145 1
1 197 . 9 1 1 A 20 20 LEU C C 20 178.135 178.788 -0.653 1
1 198 . 9 1 1 A 21 21 ILE N N 21 119.379 119.967 -0.588 1
1 199 . 9 1 1 A 21 21 ILE H H 21 8.133 7.774 0.359 1
1 200 . 9 1 1 A 21 21 ILE CA C 21 64.962 65.645 -0.683 1
1 201 . 9 1 1 A 21 21 ILE HA H 21 3.685 3.592 0.093 1
1 202 . 9 1 1 A 21 21 ILE CB C 21 37.895 37.916 -0.021 1
1 215 . 9 1 1 A 21 21 ILE C C 21 178.423 177.890 0.533 1
1 216 . 9 1 1 A 22 22 ASP N N 22 120.464 120.813 -0.349 1
1 217 . 9 1 1 A 22 22 ASP H H 22 8.203 8.148 0.055 1
1 218 . 9 1 1 A 22 22 ASP CA C 22 57.332 57.613 -0.281 1
1 219 . 9 1 1 A 22 22 ASP HA H 22 4.400 4.252 0.148 1
1 220 . 9 1 1 A 22 22 ASP CB C 22 41.023 41.002 0.021 1
1 223 . 9 1 1 A 22 22 ASP C C 22 179.117 177.950 1.167 1
1 224 . 9 1 1 A 23 23 ALA N N 23 123.634 120.452 3.182 1
1 225 . 9 1 1 A 23 23 ALA H H 23 8.819 7.767 1.052 1
1 226 . 9 1 1 A 23 23 ALA CA C 23 55.058 54.695 0.363 1
1 227 . 9 1 1 A 23 23 ALA HA H 23 3.050 3.572 -0.522 1
1 228 . 9 1 1 A 23 23 ALA CB C 23 20.405 18.092 2.313 1
1 232 . 9 1 1 A 23 23 ALA C C 23 179.042 179.453 -0.411 1
1 233 . 9 1 1 A 24 24 CYS N N 24 115.941 116.304 -0.363 1
1 234 . 9 1 1 A 24 24 CYS H H 24 8.227 8.092 0.135 1
1 235 . 9 1 1 A 24 24 CYS CA C 24 63.657 62.962 0.695 1
1 236 . 9 1 1 A 24 24 CYS HA H 24 3.524 3.750 -0.226 1
1 237 . 9 1 1 A 24 24 CYS CB C 24 27.165 26.912 0.253 1
1 240 . 9 1 1 A 24 24 CYS C C 24 177.855 176.417 1.438 1
1 241 . 9 1 1 A 25 25 GLU N N 25 118.624 118.874 -0.250 1
1 242 . 9 1 1 A 25 25 GLU H H 25 8.262 7.637 0.625 1
1 243 . 9 1 1 A 25 25 GLU CA C 25 58.829 58.064 0.765 1
1 244 . 9 1 1 A 25 25 GLU HA H 25 3.974 4.197 -0.223 1
1 245 . 9 1 1 A 25 25 GLU CB C 25 29.896 30.041 -0.145 1
1 251 . 9 1 1 A 25 25 GLU C C 25 178.082 178.903 -0.821 1
1 252 . 9 1 1 A 26 26 THR N N 26 113.708 117.489 -3.781 1
1 253 . 9 1 1 A 26 26 THR H H 26 8.046 8.306 -0.260 1
1 254 . 9 1 1 A 26 26 THR CA C 26 65.448 66.273 -0.825 1
1 255 . 9 1 1 A 26 26 THR HA H 26 4.003 3.910 0.093 1
1 256 . 9 1 1 A 26 26 THR CB C 26 69.475 68.523 0.952 1
1 262 . 9 1 1 A 26 26 THR C C 26 175.986 176.282 -0.296 1
1 263 . 9 1 1 A 27 27 LEU N N 27 119.789 118.690 1.099 1
1 264 . 9 1 1 A 27 27 LEU H H 27 8.609 7.731 0.878 1
1 265 . 9 1 1 A 27 27 LEU CA C 27 55.566 56.564 -0.998 1
1 266 . 9 1 1 A 27 27 LEU HA H 27 4.238 3.985 0.253 1
1 267 . 9 1 1 A 27 27 LEU CB C 27 42.130 42.569 -0.439 1
1 280 . 9 1 1 A 27 27 LEU C C 27 179.075 177.501 1.574 1
1 281 . 9 1 1 A 28 28 GLY N N 28 107.009 105.981 1.028 1
1 282 . 9 1 1 A 28 28 GLY H H 28 6.965 7.976 -1.011 1
1 283 . 9 1 1 A 28 28 GLY CA C 28 44.545 44.378 0.167 1
1 284 . 9 1 1 A 28 28 GLY HA2 H 28 4.057 3.887 0.170 1
1 285 . 9 1 1 A 28 28 GLY HA3 H 28 3.664 3.920 -0.256 1
1 286 . 9 1 1 A 28 28 GLY C C 28 173.046 174.874 -1.828 1
1 287 . 9 1 1 A 29 29 LEU N N 29 117.364 122.072 -4.708 1
1 288 . 9 1 1 A 29 29 LEU H H 29 7.960 8.511 -0.551 1
1 289 . 9 1 1 A 29 29 LEU CA C 29 54.626 56.882 -2.256 1
1 290 . 9 1 1 A 29 29 LEU HA H 29 3.487 3.283 0.204 1
1 291 . 9 1 1 A 29 29 LEU CB C 29 40.949 40.929 0.020 1
1 304 . 9 1 1 A 29 29 LEU C C 29 177.460 178.829 -1.369 1
1 305 . 9 1 1 A 30 30 GLY N N 30 106.469 106.515 -0.046 1
1 306 . 9 1 1 A 30 30 GLY H H 30 7.503 7.897 -0.394 1
1 307 . 9 1 1 A 30 30 GLY CA C 30 46.003 46.844 -0.841 1
1 308 . 9 1 1 A 30 30 GLY HA2 H 30 3.781 3.814 -0.033 1
1 309 . 9 1 1 A 30 30 GLY HA3 H 30 3.638 3.838 -0.200 1
1 310 . 9 1 1 A 30 30 GLY C C 30 174.269 174.471 -0.202 1
1 311 . 9 1 1 A 31 31 ASN N N 31 117.981 116.898 1.083 1
1 312 . 9 1 1 A 31 31 ASN H H 31 7.643 7.428 0.215 1
1 313 . 9 1 1 A 31 31 ASN CA C 31 52.135 51.950 0.185 1
1 314 . 9 1 1 A 31 31 ASN HA H 31 4.899 4.933 -0.034 1
1 315 . 9 1 1 A 31 31 ASN CB C 31 38.492 38.898 -0.406 1
1 321 . 9 1 1 A 31 31 ASN C C 31 176.436 175.262 1.174 1
1 322 . 9 1 1 A 32 32 TRP N N 32 124.932 123.879 1.053 1
1 323 . 9 1 1 A 32 32 TRP H H 32 8.638 8.217 0.421 1
1 324 . 9 1 1 A 32 32 TRP CA C 32 60.578 59.923 0.655 1
1 325 . 9 1 1 A 32 32 TRP HA H 32 4.257 4.307 -0.050 1
1 326 . 9 1 1 A 32 32 TRP CB C 32 29.185 29.241 -0.056 1
1 341 . 9 1 1 A 32 32 TRP C C 32 177.477 178.650 -1.173 1
1 342 . 9 1 1 A 33 33 ALA N N 33 123.791 122.106 1.685 1
1 343 . 9 1 1 A 33 33 ALA H H 33 8.522 8.266 0.256 1
1 344 . 9 1 1 A 33 33 ALA CA C 33 55.609 55.371 0.238 1
1 345 . 9 1 1 A 33 33 ALA HA H 33 4.245 4.131 0.114 1
1 346 . 9 1 1 A 33 33 ALA CB C 33 17.931 18.377 -0.446 1
1 350 . 9 1 1 A 33 33 ALA C C 33 179.868 179.402 0.466 1
1 351 . 9 1 1 A 34 34 ASP N N 34 118.553 118.161 0.392 1
1 352 . 9 1 1 A 34 34 ASP H H 34 7.463 7.707 -0.244 1
1 353 . 9 1 1 A 34 34 ASP CA C 34 56.937 57.171 -0.234 1
1 354 . 9 1 1 A 34 34 ASP HA H 34 4.378 4.354 0.024 1
1 355 . 9 1 1 A 34 34 ASP CB C 34 40.089 40.974 -0.885 1
1 358 . 9 1 1 A 34 34 ASP C C 34 179.385 178.847 0.538 1
1 359 . 9 1 1 A 35 35 ILE N N 35 121.343 120.438 0.905 1
1 360 . 9 1 1 A 35 35 ILE H H 35 7.308 7.874 -0.566 1
1 361 . 9 1 1 A 35 35 ILE CA C 35 64.900 65.656 -0.756 1
1 362 . 9 1 1 A 35 35 ILE HA H 35 3.528 3.735 -0.207 1
1 363 . 9 1 1 A 35 35 ILE CB C 35 37.842 37.588 0.254 1
1 376 . 9 1 1 A 35 35 ILE C C 35 176.832 178.235 -1.403 1
1 377 . 9 1 1 A 36 36 ALA N N 36 122.328 122.327 0.001 1
1 378 . 9 1 1 A 36 36 ALA H H 36 8.446 8.852 -0.406 1
1 379 . 9 1 1 A 36 36 ALA CA C 36 55.724 55.891 -0.167 1
1 380 . 9 1 1 A 36 36 ALA HA H 36 4.281 4.185 0.096 1
1 381 . 9 1 1 A 36 36 ALA CB C 36 17.153 18.547 -1.394 1
1 385 . 9 1 1 A 36 36 ALA C C 36 181.002 179.466 1.536 1
1 386 . 9 1 1 A 37 37 ASP N N 37 119.092 118.536 0.556 1
1 387 . 9 1 1 A 37 37 ASP H H 37 7.997 7.773 0.224 1
1 388 . 9 1 1 A 37 37 ASP CA C 37 57.105 57.088 0.017 1
1 389 . 9 1 1 A 37 37 ASP HA H 37 4.392 4.409 -0.017 1
1 390 . 9 1 1 A 37 37 ASP CB C 37 40.808 41.358 -0.550 1
1 393 . 9 1 1 A 37 37 ASP C C 37 177.292 178.242 -0.950 1
1 394 . 9 1 1 A 38 38 TYR N N 38 121.825 120.987 0.838 1
1 395 . 9 1 1 A 38 38 TYR H H 38 7.648 8.401 -0.753 1
1 396 . 9 1 1 A 38 38 TYR CA C 38 60.838 61.193 -0.355 1
1 397 . 9 1 1 A 38 38 TYR HA H 38 4.046 4.208 -0.162 1
1 398 . 9 1 1 A 38 38 TYR CB C 38 39.411 38.397 1.014 1
1 409 . 9 1 1 A 38 38 TYR C C 38 177.306 177.281 0.025 1
1 410 . 9 1 1 A 39 39 VAL N N 39 118.437 119.036 -0.599 1
1 411 . 9 1 1 A 39 39 VAL H H 39 8.306 8.305 0.001 1
1 412 . 9 1 1 A 39 39 VAL CA C 39 65.398 65.947 -0.549 1
1 413 . 9 1 1 A 39 39 VAL HA H 39 3.707 3.947 -0.240 1
1 414 . 9 1 1 A 39 39 VAL CB C 39 32.833 32.239 0.594 1
1 424 . 9 1 1 A 39 39 VAL C C 39 177.244 177.054 0.190 1
1 425 . 9 1 1 A 40 40 GLY N N 40 105.738 109.258 -3.520 1
1 426 . 9 1 1 A 40 40 GLY H H 40 8.117 7.977 0.140 1
1 427 . 9 1 1 A 40 40 GLY CA C 40 45.890 46.526 -0.636 1
1 428 . 9 1 1 A 40 40 GLY HA2 H 40 3.896 3.906 -0.010 1
1 429 . 9 1 1 A 40 40 GLY HA3 H 40 3.694 3.917 -0.223 1
1 430 . 9 1 1 A 40 40 GLY C C 40 173.930 175.219 -1.289 1
1 431 . 9 1 1 A 41 41 ASN N N 41 116.713 120.485 -3.772 1
1 432 . 9 1 1 A 41 41 ASN H H 41 8.620 9.071 -0.451 1
1 433 . 9 1 1 A 41 41 ASN CA C 41 54.192 54.476 -0.284 1
1 434 . 9 1 1 A 41 41 ASN HA H 41 4.253 4.324 -0.071 1
1 435 . 9 1 1 A 41 41 ASN CB C 41 38.370 36.830 1.540 1
1 441 . 9 1 1 A 41 41 ASN C C 41 173.935 174.540 -0.605 1
1 442 . 9 1 1 A 42 42 ALA N N 42 115.074 113.171 1.903 1
1 443 . 9 1 1 A 42 42 ALA H H 42 8.425 8.233 0.192 1
1 444 . 9 1 1 A 42 42 ALA CA C 42 52.968 53.461 -0.493 1
1 445 . 9 1 1 A 42 42 ALA HA H 42 3.876 3.846 0.030 1
1 446 . 9 1 1 A 42 42 ALA CB C 42 17.871 17.752 0.119 1
1 450 . 9 1 1 A 42 42 ALA C C 42 177.531 176.099 1.432 1
1 451 . 9 1 1 A 43 43 ARG N N 43 119.427 116.308 3.119 1
1 452 . 9 1 1 A 43 43 ARG H H 43 7.773 7.403 0.370 1
1 453 . 9 1 1 A 43 43 ARG CA C 43 54.411 54.069 0.342 1
1 454 . 9 1 1 A 43 43 ARG HA H 43 4.447 4.911 -0.464 1
1 455 . 9 1 1 A 43 43 ARG CB C 43 30.954 33.789 -2.835 1
1 466 . 9 1 1 A 43 43 ARG C C 43 177.734 174.406 3.328 1
1 467 . 9 1 1 A 44 44 THR N N 44 113.165 114.051 -0.886 1
1 468 . 9 1 1 A 44 44 THR H H 44 8.918 8.518 0.400 1
1 469 . 9 1 1 A 44 44 THR CA C 44 60.337 60.201 0.136 1
1 470 . 9 1 1 A 44 44 THR HA H 44 4.625 5.004 -0.379 1
1 471 . 9 1 1 A 44 44 THR CB C 44 72.316 70.406 1.910 1
1 477 . 9 1 1 A 44 44 THR C C 44 177.134 174.606 2.528 1
1 478 . 9 1 1 A 45 45 LYS N N 45 121.142 124.604 -3.462 1
1 479 . 9 1 1 A 45 45 LYS H H 45 9.432 8.811 0.621 1
1 480 . 9 1 1 A 45 45 LYS CA C 45 59.938 59.289 0.649 1
1 481 . 9 1 1 A 45 45 LYS HA H 45 4.137 4.157 -0.020 1
1 482 . 9 1 1 A 45 45 LYS CB C 45 32.188 31.985 0.203 1
1 494 . 9 1 1 A 45 45 LYS C C 45 177.330 178.217 -0.887 1
1 495 . 9 1 1 A 46 46 GLU N N 46 120.446 119.492 0.954 1
1 496 . 9 1 1 A 46 46 GLU H H 46 8.577 8.524 0.053 1
1 497 . 9 1 1 A 46 46 GLU CA C 46 61.051 59.126 1.925 1
1 498 . 9 1 1 A 46 46 GLU HA H 46 3.716 4.013 -0.297 1
1 499 . 9 1 1 A 46 46 GLU CB C 46 28.270 29.429 -1.159 1
1 505 . 9 1 1 A 46 46 GLU C C 46 178.200 178.665 -0.465 1
1 506 . 9 1 1 A 47 47 GLU N N 47 119.411 118.664 0.747 1
1 507 . 9 1 1 A 47 47 GLU H H 47 7.874 8.400 -0.526 1
1 508 . 9 1 1 A 47 47 GLU CA C 47 59.209 58.759 0.450 1
1 509 . 9 1 1 A 47 47 GLU HA H 47 4.139 4.274 -0.135 1
1 510 . 9 1 1 A 47 47 GLU CB C 47 30.970 30.368 0.602 1
1 516 . 9 1 1 A 47 47 GLU C C 47 180.380 178.951 1.429 1
1 517 . 9 1 1 A 48 48 CYS N N 48 117.778 118.993 -1.215 1
1 518 . 9 1 1 A 48 48 CYS H H 48 8.354 8.589 -0.235 1
1 519 . 9 1 1 A 48 48 CYS CA C 48 65.002 63.228 1.774 1
1 520 . 9 1 1 A 48 48 CYS HA H 48 4.331 4.325 0.006 1
1 521 . 9 1 1 A 48 48 CYS CB C 48 27.262 27.101 0.161 1
1 524 . 9 1 1 A 48 48 CYS C C 48 174.443 176.897 -2.454 1
1 525 . 9 1 1 A 49 49 ARG N N 49 121.012 120.678 0.334 1
1 526 . 9 1 1 A 49 49 ARG H H 49 7.364 7.420 -0.056 1
1 527 . 9 1 1 A 49 49 ARG CA C 49 58.352 58.222 0.130 1
1 528 . 9 1 1 A 49 49 ARG HA H 49 1.940 1.382 0.558 1
1 529 . 9 1 1 A 49 49 ARG CB C 49 29.691 28.955 0.736 1
1 538 . 9 1 1 A 49 49 ARG C C 49 177.306 177.571 -0.265 1
1 539 . 9 1 1 A 50 50 ASP N N 50 116.931 118.825 -1.894 1
1 540 . 9 1 1 A 50 50 ASP H H 50 8.183 8.084 0.099 1
1 541 . 9 1 1 A 50 50 ASP CA C 50 57.267 56.956 0.311 1
1 542 . 9 1 1 A 50 50 ASP HA H 50 4.170 4.209 -0.039 1
1 543 . 9 1 1 A 50 50 ASP CB C 50 40.569 41.612 -1.043 1
1 546 . 9 1 1 A 50 50 ASP C C 50 178.695 178.131 0.564 1
1 547 . 9 1 1 A 51 51 HIS N N 51 116.759 119.336 -2.577 1
1 548 . 9 1 1 A 51 51 HIS H H 51 8.276 8.393 -0.117 1
1 549 . 9 1 1 A 51 51 HIS CA C 51 59.374 58.881 0.493 1
1 550 . 9 1 1 A 51 51 HIS HA H 51 3.986 4.300 -0.314 1
1 551 . 9 1 1 A 51 51 HIS CB C 51 28.534 30.077 -1.543 1
1 558 . 9 1 1 A 51 51 HIS C C 51 177.514 176.636 0.878 1
1 559 . 9 1 1 A 52 52 TYR N N 52 121.013 120.026 0.987 1
1 560 . 9 1 1 A 52 52 TYR H H 52 8.364 8.012 0.352 1
1 561 . 9 1 1 A 52 52 TYR CA C 52 62.363 60.874 1.489 1
1 562 . 9 1 1 A 52 52 TYR HA H 52 3.951 3.876 0.075 1
1 563 . 9 1 1 A 52 52 TYR CB C 52 39.610 38.735 0.875 1
1 574 . 9 1 1 A 52 52 TYR C C 52 177.492 177.347 0.145 1
1 575 . 9 1 1 A 53 53 LEU N N 53 117.616 119.838 -2.222 1
1 576 . 9 1 1 A 53 53 LEU H H 53 8.354 7.625 0.729 1
1 577 . 9 1 1 A 53 53 LEU CA C 53 57.261 57.028 0.233 1
1 578 . 9 1 1 A 53 53 LEU HA H 53 3.985 4.247 -0.262 1
1 579 . 9 1 1 A 53 53 LEU CB C 53 41.403 41.927 -0.524 1
1 592 . 9 1 1 A 53 53 LEU C C 53 178.921 178.109 0.812 1
1 593 . 9 1 1 A 54 54 LYS N N 54 116.037 116.960 -0.923 1
1 594 . 9 1 1 A 54 54 LYS H H 54 7.468 7.731 -0.263 1
1 595 . 9 1 1 A 54 54 LYS CA C 54 57.859 57.278 0.581 1
1 596 . 9 1 1 A 54 54 LYS HA H 54 4.006 4.372 -0.366 1
1 597 . 9 1 1 A 54 54 LYS CB C 54 32.668 33.147 -0.479 1
1 609 . 9 1 1 A 54 54 LYS C C 54 177.318 176.717 0.601 1
1 610 . 9 1 1 A 55 55 THR N N 55 111.885 113.880 -1.995 1
1 611 . 9 1 1 A 55 55 THR H H 55 7.259 7.224 0.035 1
1 612 . 9 1 1 A 55 55 THR CA C 55 63.882 64.385 -0.503 1
1 613 . 9 1 1 A 55 55 THR HA H 55 3.864 4.052 -0.188 1
1 614 . 9 1 1 A 55 55 THR CB C 55 69.759 69.771 -0.012 1
1 620 . 9 1 1 A 55 55 THR C C 55 174.423 175.026 -0.603 1
1 621 . 9 1 1 A 56 56 TYR N N 56 120.015 118.206 1.809 1
1 622 . 9 1 1 A 56 56 TYR H H 56 7.767 8.097 -0.330 1
1 623 . 9 1 1 A 56 56 TYR CA C 56 58.699 60.472 -1.773 1
1 624 . 9 1 1 A 56 56 TYR HA H 56 4.388 4.187 0.201 1
1 625 . 9 1 1 A 56 56 TYR CB C 56 38.568 38.380 0.188 1
1 636 . 9 1 1 A 56 56 TYR C C 56 175.031 178.328 -3.297 1
1 637 . 9 1 1 A 57 57 ILE N N 57 121.611 120.052 1.559 1
1 638 . 9 1 1 A 57 57 ILE H H 57 7.376 8.091 -0.715 1
1 639 . 9 1 1 A 57 57 ILE CA C 57 60.560 65.536 -4.976 1
1 640 . 9 1 1 A 57 57 ILE HA H 57 4.155 3.709 0.446 1
1 641 . 9 1 1 A 57 57 ILE CB C 57 38.585 37.833 0.752 1
1 654 . 9 1 1 A 57 57 ILE C C 57 175.122 178.093 -2.971 1
1 1 . 10 1 1 A 3 3 SER CA C 3 58.574 62.124 -3.550 1
1 2 . 10 1 1 A 3 3 SER HA H 3 4.477 4.054 0.423 1
1 3 . 10 1 1 A 3 3 SER CB C 3 63.686 62.909 0.777 1
1 5 . 10 1 1 A 3 3 SER C C 3 175.067 175.119 -0.052 1
1 6 . 10 1 1 A 4 4 GLY N N 4 111.014 108.786 2.228 1
1 7 . 10 1 1 A 4 4 GLY H H 4 8.466 8.307 0.159 1
1 8 . 10 1 1 A 4 4 GLY CA C 4 45.338 46.717 -1.379 1
1 9 . 10 1 1 A 4 4 GLY HA2 H 4 4.006 3.900 0.106 1
1 10 . 10 1 1 A 4 4 GLY C C 4 174.344 174.300 0.044 1
1 11 . 10 1 1 A 5 5 SER N N 5 115.891 116.267 -0.376 1
1 12 . 10 1 1 A 5 5 SER H H 5 8.294 7.906 0.388 1
1 13 . 10 1 1 A 5 5 SER CA C 5 58.277 57.909 0.368 1
1 14 . 10 1 1 A 5 5 SER HA H 5 4.499 4.722 -0.223 1
1 15 . 10 1 1 A 5 5 SER CB C 5 63.850 63.467 0.383 1
1 17 . 10 1 1 A 5 5 SER C C 5 174.840 172.887 1.953 1
1 18 . 10 1 1 A 6 6 SER N N 6 117.946 120.357 -2.411 1
1 19 . 10 1 1 A 6 6 SER H H 6 8.479 8.451 0.028 1
1 20 . 10 1 1 A 6 6 SER CA C 6 58.632 57.465 1.167 1
1 21 . 10 1 1 A 6 6 SER HA H 6 4.427 4.995 -0.568 1
1 22 . 10 1 1 A 6 6 SER CB C 6 63.855 67.153 -3.298 1
1 24 . 10 1 1 A 6 6 SER C C 6 174.852 173.276 1.576 1
1 25 . 10 1 1 A 7 7 GLY N N 7 110.490 110.175 0.315 1
1 26 . 10 1 1 A 7 7 GLY H H 7 8.354 8.270 0.084 1
1 27 . 10 1 1 A 7 7 GLY CA C 7 45.231 43.781 1.450 1
1 28 . 10 1 1 A 7 7 GLY HA2 H 7 3.836 3.768 0.068 1
1 29 . 10 1 1 A 7 7 GLY HA3 H 7 3.898 3.851 0.047 1
1 30 . 10 1 1 A 7 7 GLY C C 7 173.829 173.416 0.413 1
1 31 . 10 1 1 A 8 8 PHE N N 8 119.865 122.588 -2.723 1
1 32 . 10 1 1 A 8 8 PHE H H 8 8.094 8.181 -0.087 1
1 33 . 10 1 1 A 8 8 PHE CA C 8 57.501 58.556 -1.055 1
1 34 . 10 1 1 A 8 8 PHE HA H 8 4.666 4.588 0.078 1
1 35 . 10 1 1 A 8 8 PHE CB C 8 39.743 38.928 0.815 1
1 48 . 10 1 1 A 8 8 PHE C C 8 175.564 175.266 0.298 1
1 49 . 10 1 1 A 9 9 ASP N N 9 122.084 125.026 -2.942 1
1 50 . 10 1 1 A 9 9 ASP H H 9 8.516 9.020 -0.504 1
1 51 . 10 1 1 A 9 9 ASP CA C 9 54.372 53.852 0.520 1
1 52 . 10 1 1 A 9 9 ASP HA H 9 4.599 4.727 -0.128 1
1 53 . 10 1 1 A 9 9 ASP CB C 9 41.429 39.409 2.020 1
1 56 . 10 1 1 A 9 9 ASP C C 9 176.168 176.117 0.051 1
1 57 . 10 1 1 A 10 10 GLU N N 10 121.747 121.463 0.284 1
1 58 . 10 1 1 A 10 10 GLU H H 10 8.489 8.484 0.005 1
1 59 . 10 1 1 A 10 10 GLU CA C 10 56.705 55.488 1.217 1
1 60 . 10 1 1 A 10 10 GLU HA H 10 4.359 4.677 -0.318 1
1 61 . 10 1 1 A 10 10 GLU CB C 10 30.039 30.830 -0.791 1
1 67 . 10 1 1 A 10 10 GLU C C 10 176.584 175.310 1.274 1
1 68 . 10 1 1 A 11 11 ASN N N 11 119.867 116.198 3.669 1
1 69 . 10 1 1 A 11 11 ASN H H 11 8.479 7.833 0.646 1
1 70 . 10 1 1 A 11 11 ASN CA C 11 53.332 52.318 1.014 1
1 71 . 10 1 1 A 11 11 ASN HA H 11 4.791 5.154 -0.363 1
1 72 . 10 1 1 A 11 11 ASN CB C 11 38.906 41.413 -2.507 1
1 78 . 10 1 1 A 11 11 ASN C C 11 175.284 173.805 1.479 1
1 79 . 10 1 1 A 12 12 TRP N N 12 124.246 121.630 2.616 1
1 80 . 10 1 1 A 12 12 TRP H H 12 8.819 8.897 -0.078 1
1 81 . 10 1 1 A 12 12 TRP CA C 12 57.447 56.671 0.776 1
1 82 . 10 1 1 A 12 12 TRP HA H 12 4.338 5.094 -0.756 1
1 83 . 10 1 1 A 12 12 TRP CB C 12 29.096 31.041 -1.945 1
1 98 . 10 1 1 A 12 12 TRP C C 12 177.403 176.187 1.216 1
1 99 . 10 1 1 A 13 13 GLY N N 13 112.578 108.194 4.384 1
1 100 . 10 1 1 A 13 13 GLY H H 13 9.662 8.816 0.846 1
1 101 . 10 1 1 A 13 13 GLY CA C 13 44.383 43.890 0.493 1
1 102 . 10 1 1 A 13 13 GLY HA2 H 13 4.315 4.461 -0.146 1
1 103 . 10 1 1 A 13 13 GLY HA3 H 13 3.989 4.498 -0.509 1
1 104 . 10 1 1 A 13 13 GLY C C 13 174.443 175.039 -0.596 1
1 105 . 10 1 1 A 14 14 ALA N N 14 124.409 124.413 -0.004 1
1 106 . 10 1 1 A 14 14 ALA H H 14 8.805 9.279 -0.474 1
1 107 . 10 1 1 A 14 14 ALA CA C 14 55.635 54.686 0.949 1
1 108 . 10 1 1 A 14 14 ALA HA H 14 4.225 4.026 0.199 1
1 109 . 10 1 1 A 14 14 ALA CB C 14 18.565 18.377 0.188 1
1 113 . 10 1 1 A 14 14 ALA C C 14 180.546 179.279 1.267 1
1 114 . 10 1 1 A 15 15 ASP N N 15 115.685 118.894 -3.209 1
1 115 . 10 1 1 A 15 15 ASP H H 15 8.825 8.283 0.542 1
1 116 . 10 1 1 A 15 15 ASP CA C 15 56.775 57.230 -0.455 1
1 117 . 10 1 1 A 15 15 ASP HA H 15 4.416 4.388 0.028 1
1 118 . 10 1 1 A 15 15 ASP CB C 15 39.188 41.074 -1.886 1
1 121 . 10 1 1 A 15 15 ASP C C 15 178.981 178.707 0.274 1
1 122 . 10 1 1 A 16 16 GLU N N 16 121.445 117.860 3.585 1
1 123 . 10 1 1 A 16 16 GLU H H 16 7.772 8.549 -0.777 1
1 124 . 10 1 1 A 16 16 GLU CA C 16 59.380 58.663 0.717 1
1 125 . 10 1 1 A 16 16 GLU HA H 16 4.203 4.230 -0.027 1
1 126 . 10 1 1 A 16 16 GLU CB C 16 30.556 28.441 2.115 1
1 132 . 10 1 1 A 16 16 GLU C C 16 178.517 178.746 -0.229 1
1 133 . 10 1 1 A 17 17 GLU N N 17 118.709 119.584 -0.875 1
1 134 . 10 1 1 A 17 17 GLU H H 17 8.363 8.499 -0.136 1
1 135 . 10 1 1 A 17 17 GLU CA C 17 59.820 59.328 0.492 1
1 136 . 10 1 1 A 17 17 GLU HA H 17 4.429 4.440 -0.011 1
1 137 . 10 1 1 A 17 17 GLU CB C 17 29.774 29.978 -0.204 1
1 143 . 10 1 1 A 17 17 GLU C C 17 179.029 179.312 -0.283 1
1 144 . 10 1 1 A 18 18 LEU N N 18 118.004 122.235 -4.231 1
1 145 . 10 1 1 A 18 18 LEU H H 18 7.650 8.080 -0.430 1
1 146 . 10 1 1 A 18 18 LEU CA C 18 58.128 57.907 0.221 1
1 147 . 10 1 1 A 18 18 LEU HA H 18 4.212 4.206 0.006 1
1 148 . 10 1 1 A 18 18 LEU CB C 18 41.700 41.679 0.021 1
1 161 . 10 1 1 A 18 18 LEU C C 18 179.871 178.404 1.467 1
1 162 . 10 1 1 A 19 19 LEU N N 19 119.600 118.731 0.869 1
1 163 . 10 1 1 A 19 19 LEU H H 19 7.783 8.259 -0.476 1
1 164 . 10 1 1 A 19 19 LEU CA C 19 58.106 58.246 -0.140 1
1 165 . 10 1 1 A 19 19 LEU HA H 19 4.390 4.230 0.160 1
1 166 . 10 1 1 A 19 19 LEU CB C 19 43.169 41.782 1.387 1
1 179 . 10 1 1 A 19 19 LEU C C 19 178.634 178.988 -0.354 1
1 180 . 10 1 1 A 20 20 LEU N N 20 120.243 119.697 0.546 1
1 181 . 10 1 1 A 20 20 LEU H H 20 8.364 7.990 0.374 1
1 182 . 10 1 1 A 20 20 LEU CA C 20 58.390 58.753 -0.363 1
1 183 . 10 1 1 A 20 20 LEU HA H 20 4.083 4.151 -0.068 1
1 184 . 10 1 1 A 20 20 LEU CB C 20 42.005 42.027 -0.022 1
1 197 . 10 1 1 A 20 20 LEU C C 20 178.135 178.785 -0.650 1
1 198 . 10 1 1 A 21 21 ILE N N 21 119.379 119.926 -0.547 1
1 199 . 10 1 1 A 21 21 ILE H H 21 8.133 7.792 0.341 1
1 200 . 10 1 1 A 21 21 ILE CA C 21 64.962 65.674 -0.712 1
1 201 . 10 1 1 A 21 21 ILE HA H 21 3.685 3.612 0.073 1
1 202 . 10 1 1 A 21 21 ILE CB C 21 37.895 37.960 -0.065 1
1 215 . 10 1 1 A 21 21 ILE C C 21 178.423 177.901 0.522 1
1 216 . 10 1 1 A 22 22 ASP N N 22 120.464 120.763 -0.299 1
1 217 . 10 1 1 A 22 22 ASP H H 22 8.203 8.240 -0.037 1
1 218 . 10 1 1 A 22 22 ASP CA C 22 57.332 57.670 -0.338 1
1 219 . 10 1 1 A 22 22 ASP HA H 22 4.400 4.269 0.131 1
1 220 . 10 1 1 A 22 22 ASP CB C 22 41.023 40.812 0.211 1
1 223 . 10 1 1 A 22 22 ASP C C 22 179.117 178.013 1.104 1
1 224 . 10 1 1 A 23 23 ALA N N 23 123.634 120.529 3.105 1
1 225 . 10 1 1 A 23 23 ALA H H 23 8.819 7.874 0.945 1
1 226 . 10 1 1 A 23 23 ALA CA C 23 55.058 54.724 0.334 1
1 227 . 10 1 1 A 23 23 ALA HA H 23 3.050 3.671 -0.621 1
1 228 . 10 1 1 A 23 23 ALA CB C 23 20.405 18.166 2.239 1
1 232 . 10 1 1 A 23 23 ALA C C 23 179.042 179.560 -0.518 1
1 233 . 10 1 1 A 24 24 CYS N N 24 115.941 116.187 -0.246 1
1 234 . 10 1 1 A 24 24 CYS H H 24 8.227 8.101 0.126 1
1 235 . 10 1 1 A 24 24 CYS CA C 24 63.657 63.071 0.586 1
1 236 . 10 1 1 A 24 24 CYS HA H 24 3.524 3.771 -0.247 1
1 237 . 10 1 1 A 24 24 CYS CB C 24 27.165 26.976 0.189 1
1 240 . 10 1 1 A 24 24 CYS C C 24 177.855 176.625 1.230 1
1 241 . 10 1 1 A 25 25 GLU N N 25 118.624 118.889 -0.265 1
1 242 . 10 1 1 A 25 25 GLU H H 25 8.262 7.611 0.651 1
1 243 . 10 1 1 A 25 25 GLU CA C 25 58.829 57.993 0.836 1
1 244 . 10 1 1 A 25 25 GLU HA H 25 3.974 4.206 -0.232 1
1 245 . 10 1 1 A 25 25 GLU CB C 25 29.896 30.148 -0.252 1
1 251 . 10 1 1 A 25 25 GLU C C 25 178.082 178.894 -0.812 1
1 252 . 10 1 1 A 26 26 THR N N 26 113.708 117.781 -4.073 1
1 253 . 10 1 1 A 26 26 THR H H 26 8.046 8.305 -0.259 1
1 254 . 10 1 1 A 26 26 THR CA C 26 65.448 66.531 -1.083 1
1 255 . 10 1 1 A 26 26 THR HA H 26 4.003 3.875 0.128 1
1 256 . 10 1 1 A 26 26 THR CB C 26 69.475 68.464 1.011 1
1 262 . 10 1 1 A 26 26 THR C C 26 175.986 176.298 -0.312 1
1 263 . 10 1 1 A 27 27 LEU N N 27 119.789 118.718 1.071 1
1 264 . 10 1 1 A 27 27 LEU H H 27 8.609 7.742 0.867 1
1 265 . 10 1 1 A 27 27 LEU CA C 27 55.566 56.582 -1.016 1
1 266 . 10 1 1 A 27 27 LEU HA H 27 4.238 3.968 0.270 1
1 267 . 10 1 1 A 27 27 LEU CB C 27 42.130 42.585 -0.455 1
1 280 . 10 1 1 A 27 27 LEU C C 27 179.075 177.437 1.638 1
1 281 . 10 1 1 A 28 28 GLY N N 28 107.009 105.925 1.084 1
1 282 . 10 1 1 A 28 28 GLY H H 28 6.965 7.968 -1.003 1
1 283 . 10 1 1 A 28 28 GLY CA C 28 44.545 44.304 0.241 1
1 284 . 10 1 1 A 28 28 GLY HA2 H 28 4.057 3.888 0.169 1
1 285 . 10 1 1 A 28 28 GLY HA3 H 28 3.664 3.919 -0.255 1
1 286 . 10 1 1 A 28 28 GLY C C 28 173.046 174.829 -1.783 1
1 287 . 10 1 1 A 29 29 LEU N N 29 117.364 121.680 -4.316 1
1 288 . 10 1 1 A 29 29 LEU H H 29 7.960 8.509 -0.549 1
1 289 . 10 1 1 A 29 29 LEU CA C 29 54.626 57.173 -2.547 1
1 290 . 10 1 1 A 29 29 LEU HA H 29 3.487 3.274 0.213 1
1 291 . 10 1 1 A 29 29 LEU CB C 29 40.949 40.892 0.057 1
1 304 . 10 1 1 A 29 29 LEU C C 29 177.460 178.931 -1.471 1
1 305 . 10 1 1 A 30 30 GLY N N 30 106.469 106.492 -0.023 1
1 306 . 10 1 1 A 30 30 GLY H H 30 7.503 7.989 -0.486 1
1 307 . 10 1 1 A 30 30 GLY CA C 30 46.003 47.036 -1.033 1
1 308 . 10 1 1 A 30 30 GLY HA2 H 30 3.781 3.797 -0.016 1
1 309 . 10 1 1 A 30 30 GLY HA3 H 30 3.638 3.807 -0.169 1
1 310 . 10 1 1 A 30 30 GLY C C 30 174.269 174.571 -0.302 1
1 311 . 10 1 1 A 31 31 ASN N N 31 117.981 116.491 1.490 1
1 312 . 10 1 1 A 31 31 ASN H H 31 7.643 7.725 -0.082 1
1 313 . 10 1 1 A 31 31 ASN CA C 31 52.135 51.897 0.238 1
1 314 . 10 1 1 A 31 31 ASN HA H 31 4.899 4.964 -0.065 1
1 315 . 10 1 1 A 31 31 ASN CB C 31 38.492 39.064 -0.572 1
1 321 . 10 1 1 A 31 31 ASN C C 31 176.436 175.280 1.156 1
1 322 . 10 1 1 A 32 32 TRP N N 32 124.932 123.882 1.050 1
1 323 . 10 1 1 A 32 32 TRP H H 32 8.638 8.291 0.347 1
1 324 . 10 1 1 A 32 32 TRP CA C 32 60.578 59.922 0.656 1
1 325 . 10 1 1 A 32 32 TRP HA H 32 4.257 4.305 -0.048 1
1 326 . 10 1 1 A 32 32 TRP CB C 32 29.185 29.230 -0.045 1
1 341 . 10 1 1 A 32 32 TRP C C 32 177.477 178.597 -1.120 1
1 342 . 10 1 1 A 33 33 ALA N N 33 123.791 122.106 1.685 1
1 343 . 10 1 1 A 33 33 ALA H H 33 8.522 8.327 0.195 1
1 344 . 10 1 1 A 33 33 ALA CA C 33 55.609 55.354 0.255 1
1 345 . 10 1 1 A 33 33 ALA HA H 33 4.245 4.164 0.081 1
1 346 . 10 1 1 A 33 33 ALA CB C 33 17.931 18.589 -0.658 1
1 350 . 10 1 1 A 33 33 ALA C C 33 179.868 179.663 0.205 1
1 351 . 10 1 1 A 34 34 ASP N N 34 118.553 118.272 0.281 1
1 352 . 10 1 1 A 34 34 ASP H H 34 7.463 7.707 -0.244 1
1 353 . 10 1 1 A 34 34 ASP CA C 34 56.937 57.237 -0.300 1
1 354 . 10 1 1 A 34 34 ASP HA H 34 4.378 4.517 -0.139 1
1 355 . 10 1 1 A 34 34 ASP CB C 34 40.089 41.050 -0.961 1
1 358 . 10 1 1 A 34 34 ASP C C 34 179.385 179.096 0.289 1
1 359 . 10 1 1 A 35 35 ILE N N 35 121.343 121.314 0.029 1
1 360 . 10 1 1 A 35 35 ILE H H 35 7.308 8.006 -0.698 1
1 361 . 10 1 1 A 35 35 ILE CA C 35 64.900 65.313 -0.413 1
1 362 . 10 1 1 A 35 35 ILE HA H 35 3.528 3.848 -0.320 1
1 363 . 10 1 1 A 35 35 ILE CB C 35 37.842 37.543 0.299 1
1 376 . 10 1 1 A 35 35 ILE C C 35 176.832 178.062 -1.230 1
1 377 . 10 1 1 A 36 36 ALA N N 36 122.328 122.233 0.095 1
1 378 . 10 1 1 A 36 36 ALA H H 36 8.446 8.820 -0.374 1
1 379 . 10 1 1 A 36 36 ALA CA C 36 55.724 55.940 -0.216 1
1 380 . 10 1 1 A 36 36 ALA HA H 36 4.281 4.215 0.066 1
1 381 . 10 1 1 A 36 36 ALA CB C 36 17.153 18.155 -1.002 1
1 385 . 10 1 1 A 36 36 ALA C C 36 181.002 179.051 1.951 1
1 386 . 10 1 1 A 37 37 ASP N N 37 119.092 118.579 0.513 1
1 387 . 10 1 1 A 37 37 ASP H H 37 7.997 7.779 0.218 1
1 388 . 10 1 1 A 37 37 ASP CA C 37 57.105 57.108 -0.003 1
1 389 . 10 1 1 A 37 37 ASP HA H 37 4.392 4.447 -0.055 1
1 390 . 10 1 1 A 37 37 ASP CB C 37 40.808 41.117 -0.309 1
1 393 . 10 1 1 A 37 37 ASP C C 37 177.292 178.119 -0.827 1
1 394 . 10 1 1 A 38 38 TYR N N 38 121.825 120.770 1.055 1
1 395 . 10 1 1 A 38 38 TYR H H 38 7.648 7.846 -0.198 1
1 396 . 10 1 1 A 38 38 TYR CA C 38 60.838 61.206 -0.368 1
1 397 . 10 1 1 A 38 38 TYR HA H 38 4.046 4.192 -0.146 1
1 398 . 10 1 1 A 38 38 TYR CB C 38 39.411 38.406 1.005 1
1 409 . 10 1 1 A 38 38 TYR C C 38 177.306 177.292 0.014 1
1 410 . 10 1 1 A 39 39 VAL N N 39 118.437 119.030 -0.593 1
1 411 . 10 1 1 A 39 39 VAL H H 39 8.306 8.470 -0.164 1
1 412 . 10 1 1 A 39 39 VAL CA C 39 65.398 65.473 -0.075 1
1 413 . 10 1 1 A 39 39 VAL HA H 39 3.707 3.934 -0.227 1
1 414 . 10 1 1 A 39 39 VAL CB C 39 32.833 32.156 0.677 1
1 424 . 10 1 1 A 39 39 VAL C C 39 177.244 177.078 0.166 1
1 425 . 10 1 1 A 40 40 GLY N N 40 105.738 109.297 -3.559 1
1 426 . 10 1 1 A 40 40 GLY H H 40 8.117 7.990 0.127 1
1 427 . 10 1 1 A 40 40 GLY CA C 40 45.890 46.410 -0.520 1
1 428 . 10 1 1 A 40 40 GLY HA2 H 40 3.896 3.906 -0.010 1
1 429 . 10 1 1 A 40 40 GLY HA3 H 40 3.694 3.923 -0.229 1
1 430 . 10 1 1 A 40 40 GLY C C 40 173.930 174.990 -1.060 1
1 431 . 10 1 1 A 41 41 ASN N N 41 116.713 119.563 -2.850 1
1 432 . 10 1 1 A 41 41 ASN H H 41 8.620 9.052 -0.432 1
1 433 . 10 1 1 A 41 41 ASN CA C 41 54.192 54.447 -0.255 1
1 434 . 10 1 1 A 41 41 ASN HA H 41 4.253 4.302 -0.049 1
1 435 . 10 1 1 A 41 41 ASN CB C 41 38.370 36.796 1.574 1
1 441 . 10 1 1 A 41 41 ASN C C 41 173.935 174.529 -0.594 1
1 442 . 10 1 1 A 42 42 ALA N N 42 115.074 113.189 1.885 1
1 443 . 10 1 1 A 42 42 ALA H H 42 8.425 8.241 0.184 1
1 444 . 10 1 1 A 42 42 ALA CA C 42 52.968 53.565 -0.597 1
1 445 . 10 1 1 A 42 42 ALA HA H 42 3.876 3.850 0.026 1
1 446 . 10 1 1 A 42 42 ALA CB C 42 17.871 17.691 0.180 1
1 450 . 10 1 1 A 42 42 ALA C C 42 177.531 176.080 1.451 1
1 451 . 10 1 1 A 43 43 ARG N N 43 119.427 116.330 3.097 1
1 452 . 10 1 1 A 43 43 ARG H H 43 7.773 7.466 0.307 1
1 453 . 10 1 1 A 43 43 ARG CA C 43 54.411 54.045 0.366 1
1 454 . 10 1 1 A 43 43 ARG HA H 43 4.447 4.980 -0.533 1
1 455 . 10 1 1 A 43 43 ARG CB C 43 30.954 33.871 -2.917 1
1 466 . 10 1 1 A 43 43 ARG C C 43 177.734 174.405 3.329 1
1 467 . 10 1 1 A 44 44 THR N N 44 113.165 113.826 -0.661 1
1 468 . 10 1 1 A 44 44 THR H H 44 8.918 8.541 0.377 1
1 469 . 10 1 1 A 44 44 THR CA C 44 60.337 60.493 -0.156 1
1 470 . 10 1 1 A 44 44 THR HA H 44 4.625 4.992 -0.367 1
1 471 . 10 1 1 A 44 44 THR CB C 44 72.316 70.265 2.051 1
1 477 . 10 1 1 A 44 44 THR C C 44 177.134 174.590 2.544 1
1 478 . 10 1 1 A 45 45 LYS N N 45 121.142 125.029 -3.887 1
1 479 . 10 1 1 A 45 45 LYS H H 45 9.432 8.867 0.565 1
1 480 . 10 1 1 A 45 45 LYS CA C 45 59.938 59.290 0.648 1
1 481 . 10 1 1 A 45 45 LYS HA H 45 4.137 4.132 0.005 1
1 482 . 10 1 1 A 45 45 LYS CB C 45 32.188 32.008 0.180 1
1 494 . 10 1 1 A 45 45 LYS C C 45 177.330 178.020 -0.690 1
1 495 . 10 1 1 A 46 46 GLU N N 46 120.446 119.805 0.641 1
1 496 . 10 1 1 A 46 46 GLU H H 46 8.577 8.770 -0.193 1
1 497 . 10 1 1 A 46 46 GLU CA C 46 61.051 59.589 1.462 1
1 498 . 10 1 1 A 46 46 GLU HA H 46 3.716 3.897 -0.181 1
1 499 . 10 1 1 A 46 46 GLU CB C 46 28.270 29.306 -1.036 1
1 505 . 10 1 1 A 46 46 GLU C C 46 178.200 179.122 -0.922 1
1 506 . 10 1 1 A 47 47 GLU N N 47 119.411 118.294 1.117 1
1 507 . 10 1 1 A 47 47 GLU H H 47 7.874 8.325 -0.451 1
1 508 . 10 1 1 A 47 47 GLU CA C 47 59.209 59.073 0.136 1
1 509 . 10 1 1 A 47 47 GLU HA H 47 4.139 4.245 -0.106 1
1 510 . 10 1 1 A 47 47 GLU CB C 47 30.970 30.304 0.666 1
1 516 . 10 1 1 A 47 47 GLU C C 47 180.380 179.023 1.357 1
1 517 . 10 1 1 A 48 48 CYS N N 48 117.778 118.952 -1.174 1
1 518 . 10 1 1 A 48 48 CYS H H 48 8.354 8.670 -0.316 1
1 519 . 10 1 1 A 48 48 CYS CA C 48 65.002 63.121 1.881 1
1 520 . 10 1 1 A 48 48 CYS HA H 48 4.331 4.398 -0.067 1
1 521 . 10 1 1 A 48 48 CYS CB C 48 27.262 27.262 0.000 1
1 524 . 10 1 1 A 48 48 CYS C C 48 174.443 177.258 -2.815 1
1 525 . 10 1 1 A 49 49 ARG N N 49 121.012 121.332 -0.320 1
1 526 . 10 1 1 A 49 49 ARG H H 49 7.364 7.590 -0.226 1
1 527 . 10 1 1 A 49 49 ARG CA C 49 58.352 58.562 -0.210 1
1 528 . 10 1 1 A 49 49 ARG HA H 49 1.940 1.999 -0.059 1
1 529 . 10 1 1 A 49 49 ARG CB C 49 29.691 29.110 0.581 1
1 538 . 10 1 1 A 49 49 ARG C C 49 177.306 178.095 -0.789 1
1 539 . 10 1 1 A 50 50 ASP N N 50 116.931 118.844 -1.913 1
1 540 . 10 1 1 A 50 50 ASP H H 50 8.183 8.043 0.140 1
1 541 . 10 1 1 A 50 50 ASP CA C 50 57.267 57.146 0.121 1
1 542 . 10 1 1 A 50 50 ASP HA H 50 4.170 4.213 -0.043 1
1 543 . 10 1 1 A 50 50 ASP CB C 50 40.569 40.168 0.401 1
1 546 . 10 1 1 A 50 50 ASP C C 50 178.695 178.889 -0.194 1
1 547 . 10 1 1 A 51 51 HIS N N 51 116.759 120.095 -3.336 1
1 548 . 10 1 1 A 51 51 HIS H H 51 8.276 8.444 -0.168 1
1 549 . 10 1 1 A 51 51 HIS CA C 51 59.374 58.956 0.418 1
1 550 . 10 1 1 A 51 51 HIS HA H 51 3.986 4.210 -0.224 1
1 551 . 10 1 1 A 51 51 HIS CB C 51 28.534 29.518 -0.984 1
1 558 . 10 1 1 A 51 51 HIS C C 51 177.514 176.667 0.847 1
1 559 . 10 1 1 A 52 52 TYR N N 52 121.013 119.918 1.095 1
1 560 . 10 1 1 A 52 52 TYR H H 52 8.364 7.525 0.839 1
1 561 . 10 1 1 A 52 52 TYR CA C 52 62.363 61.368 0.995 1
1 562 . 10 1 1 A 52 52 TYR HA H 52 3.951 4.133 -0.182 1
1 563 . 10 1 1 A 52 52 TYR CB C 52 39.610 38.320 1.290 1
1 574 . 10 1 1 A 52 52 TYR C C 52 177.492 177.380 0.112 1
1 575 . 10 1 1 A 53 53 LEU N N 53 117.616 119.450 -1.834 1
1 576 . 10 1 1 A 53 53 LEU H H 53 8.354 7.935 0.419 1
1 577 . 10 1 1 A 53 53 LEU CA C 53 57.261 56.538 0.723 1
1 578 . 10 1 1 A 53 53 LEU HA H 53 3.985 4.317 -0.332 1
1 579 . 10 1 1 A 53 53 LEU CB C 53 41.403 41.764 -0.361 1
1 592 . 10 1 1 A 53 53 LEU C C 53 178.921 177.709 1.212 1
1 593 . 10 1 1 A 54 54 LYS N N 54 116.037 116.831 -0.794 1
1 594 . 10 1 1 A 54 54 LYS H H 54 7.468 7.720 -0.252 1
1 595 . 10 1 1 A 54 54 LYS CA C 54 57.859 57.330 0.529 1
1 596 . 10 1 1 A 54 54 LYS HA H 54 4.006 4.405 -0.399 1
1 597 . 10 1 1 A 54 54 LYS CB C 54 32.668 33.863 -1.195 1
1 609 . 10 1 1 A 54 54 LYS C C 54 177.318 178.208 -0.890 1
1 610 . 10 1 1 A 55 55 THR N N 55 111.885 116.388 -4.503 1
1 611 . 10 1 1 A 55 55 THR H H 55 7.259 7.858 -0.599 1
1 612 . 10 1 1 A 55 55 THR CA C 55 63.882 65.747 -1.865 1
1 613 . 10 1 1 A 55 55 THR HA H 55 3.864 3.963 -0.099 1
1 614 . 10 1 1 A 55 55 THR CB C 55 69.759 68.839 0.920 1
1 620 . 10 1 1 A 55 55 THR C C 55 174.423 175.459 -1.036 1
1 621 . 10 1 1 A 56 56 TYR N N 56 120.015 118.536 1.479 1
1 622 . 10 1 1 A 56 56 TYR H H 56 7.767 8.159 -0.392 1
1 623 . 10 1 1 A 56 56 TYR CA C 56 58.699 60.532 -1.833 1
1 624 . 10 1 1 A 56 56 TYR HA H 56 4.388 4.213 0.175 1
1 625 . 10 1 1 A 56 56 TYR CB C 56 38.568 38.429 0.139 1
1 636 . 10 1 1 A 56 56 TYR C C 56 175.031 178.261 -3.230 1
1 637 . 10 1 1 A 57 57 ILE N N 57 121.611 119.925 1.686 1
1 638 . 10 1 1 A 57 57 ILE H H 57 7.376 8.548 -1.172 1
1 639 . 10 1 1 A 57 57 ILE CA C 57 60.560 65.164 -4.604 1
1 640 . 10 1 1 A 57 57 ILE HA H 57 4.155 3.710 0.445 1
1 641 . 10 1 1 A 57 57 ILE CB C 57 38.585 38.111 0.474 1
1 654 . 10 1 1 A 57 57 ILE C C 57 175.122 178.001 -2.879 1
1 1 . 11 1 1 A 3 3 SER CA C 3 58.574 56.764 1.810 1
1 2 . 11 1 1 A 3 3 SER HA H 3 4.477 5.285 -0.808 1
1 3 . 11 1 1 A 3 3 SER CB C 3 63.686 66.285 -2.599 1
1 5 . 11 1 1 A 3 3 SER C C 3 175.067 173.110 1.957 1
1 6 . 11 1 1 A 4 4 GLY N N 4 111.014 109.452 1.562 1
1 7 . 11 1 1 A 4 4 GLY H H 4 8.466 8.283 0.183 1
1 8 . 11 1 1 A 4 4 GLY CA C 4 45.338 45.730 -0.392 1
1 9 . 11 1 1 A 4 4 GLY HA2 H 4 4.006 4.104 -0.098 1
1 10 . 11 1 1 A 4 4 GLY C C 4 174.344 174.151 0.193 1
1 11 . 11 1 1 A 5 5 SER N N 5 115.891 116.261 -0.370 1
1 12 . 11 1 1 A 5 5 SER H H 5 8.294 8.155 0.139 1
1 13 . 11 1 1 A 5 5 SER CA C 5 58.277 57.876 0.401 1
1 14 . 11 1 1 A 5 5 SER HA H 5 4.499 4.978 -0.479 1
1 15 . 11 1 1 A 5 5 SER CB C 5 63.850 63.815 0.035 1
1 17 . 11 1 1 A 5 5 SER C C 5 174.840 173.996 0.844 1
1 18 . 11 1 1 A 6 6 SER N N 6 117.946 119.156 -1.210 1
1 19 . 11 1 1 A 6 6 SER H H 6 8.479 9.128 -0.649 1
1 20 . 11 1 1 A 6 6 SER CA C 6 58.632 56.902 1.730 1
1 21 . 11 1 1 A 6 6 SER HA H 6 4.427 5.299 -0.872 1
1 22 . 11 1 1 A 6 6 SER CB C 6 63.855 65.932 -2.077 1
1 24 . 11 1 1 A 6 6 SER C C 6 174.852 174.199 0.653 1
1 25 . 11 1 1 A 7 7 GLY N N 7 110.490 108.098 2.392 1
1 26 . 11 1 1 A 7 7 GLY H H 7 8.354 8.552 -0.198 1
1 27 . 11 1 1 A 7 7 GLY CA C 7 45.231 45.455 -0.224 1
1 28 . 11 1 1 A 7 7 GLY HA2 H 7 3.836 4.032 -0.196 1
1 29 . 11 1 1 A 7 7 GLY HA3 H 7 3.898 4.138 -0.240 1
1 30 . 11 1 1 A 7 7 GLY C C 7 173.829 173.207 0.622 1
1 31 . 11 1 1 A 8 8 PHE N N 8 119.865 121.992 -2.127 1
1 32 . 11 1 1 A 8 8 PHE H H 8 8.094 8.162 -0.068 1
1 33 . 11 1 1 A 8 8 PHE CA C 8 57.501 56.277 1.224 1
1 34 . 11 1 1 A 8 8 PHE HA H 8 4.666 5.114 -0.448 1
1 35 . 11 1 1 A 8 8 PHE CB C 8 39.743 40.281 -0.538 1
1 48 . 11 1 1 A 8 8 PHE C C 8 175.564 174.391 1.173 1
1 49 . 11 1 1 A 9 9 ASP N N 9 122.084 125.945 -3.861 1
1 50 . 11 1 1 A 9 9 ASP H H 9 8.516 9.128 -0.612 1
1 51 . 11 1 1 A 9 9 ASP CA C 9 54.372 52.661 1.711 1
1 52 . 11 1 1 A 9 9 ASP HA H 9 4.599 5.037 -0.438 1
1 53 . 11 1 1 A 9 9 ASP CB C 9 41.429 40.371 1.058 1
1 56 . 11 1 1 A 9 9 ASP C C 9 176.168 176.399 -0.231 1
1 57 . 11 1 1 A 10 10 GLU N N 10 121.747 121.189 0.558 1
1 58 . 11 1 1 A 10 10 GLU H H 10 8.489 8.554 -0.065 1
1 59 . 11 1 1 A 10 10 GLU CA C 10 56.705 56.120 0.585 1
1 60 . 11 1 1 A 10 10 GLU HA H 10 4.359 4.677 -0.318 1
1 61 . 11 1 1 A 10 10 GLU CB C 10 30.039 29.185 0.854 1
1 67 . 11 1 1 A 10 10 GLU C C 10 176.584 175.913 0.671 1
1 68 . 11 1 1 A 11 11 ASN N N 11 119.867 119.263 0.604 1
1 69 . 11 1 1 A 11 11 ASN H H 11 8.479 7.865 0.614 1
1 70 . 11 1 1 A 11 11 ASN CA C 11 53.332 52.887 0.445 1
1 71 . 11 1 1 A 11 11 ASN HA H 11 4.791 5.147 -0.356 1
1 72 . 11 1 1 A 11 11 ASN CB C 11 38.906 38.608 0.298 1
1 78 . 11 1 1 A 11 11 ASN C C 11 175.284 174.565 0.719 1
1 79 . 11 1 1 A 12 12 TRP N N 12 124.246 126.650 -2.404 1
1 80 . 11 1 1 A 12 12 TRP H H 12 8.819 9.043 -0.224 1
1 81 . 11 1 1 A 12 12 TRP CA C 12 57.447 57.022 0.425 1
1 82 . 11 1 1 A 12 12 TRP HA H 12 4.338 4.790 -0.452 1
1 83 . 11 1 1 A 12 12 TRP CB C 12 29.096 30.137 -1.041 1
1 98 . 11 1 1 A 12 12 TRP C C 12 177.403 176.737 0.666 1
1 99 . 11 1 1 A 13 13 GLY N N 13 112.578 108.399 4.179 1
1 100 . 11 1 1 A 13 13 GLY H H 13 9.662 8.809 0.853 1
1 101 . 11 1 1 A 13 13 GLY CA C 13 44.383 44.144 0.239 1
1 102 . 11 1 1 A 13 13 GLY HA2 H 13 4.315 4.477 -0.162 1
1 103 . 11 1 1 A 13 13 GLY HA3 H 13 3.989 4.510 -0.521 1
1 104 . 11 1 1 A 13 13 GLY C C 13 174.443 175.058 -0.615 1
1 105 . 11 1 1 A 14 14 ALA N N 14 124.409 125.114 -0.705 1
1 106 . 11 1 1 A 14 14 ALA H H 14 8.805 9.320 -0.515 1
1 107 . 11 1 1 A 14 14 ALA CA C 14 55.635 55.024 0.611 1
1 108 . 11 1 1 A 14 14 ALA HA H 14 4.225 4.073 0.152 1
1 109 . 11 1 1 A 14 14 ALA CB C 14 18.565 18.236 0.329 1
1 113 . 11 1 1 A 14 14 ALA C C 14 180.546 179.524 1.022 1
1 114 . 11 1 1 A 15 15 ASP N N 15 115.685 118.550 -2.865 1
1 115 . 11 1 1 A 15 15 ASP H H 15 8.825 8.289 0.536 1
1 116 . 11 1 1 A 15 15 ASP CA C 15 56.775 57.484 -0.709 1
1 117 . 11 1 1 A 15 15 ASP HA H 15 4.416 4.350 0.066 1
1 118 . 11 1 1 A 15 15 ASP CB C 15 39.188 40.669 -1.481 1
1 121 . 11 1 1 A 15 15 ASP C C 15 178.981 178.681 0.300 1
1 122 . 11 1 1 A 16 16 GLU N N 16 121.445 117.623 3.822 1
1 123 . 11 1 1 A 16 16 GLU H H 16 7.772 8.550 -0.778 1
1 124 . 11 1 1 A 16 16 GLU CA C 16 59.380 58.610 0.770 1
1 125 . 11 1 1 A 16 16 GLU HA H 16 4.203 4.189 0.014 1
1 126 . 11 1 1 A 16 16 GLU CB C 16 30.556 28.327 2.229 1
1 132 . 11 1 1 A 16 16 GLU C C 16 178.517 178.599 -0.082 1
1 133 . 11 1 1 A 17 17 GLU N N 17 118.709 119.855 -1.146 1
1 134 . 11 1 1 A 17 17 GLU H H 17 8.363 8.691 -0.328 1
1 135 . 11 1 1 A 17 17 GLU CA C 17 59.820 59.568 0.252 1
1 136 . 11 1 1 A 17 17 GLU HA H 17 4.429 4.434 -0.005 1
1 137 . 11 1 1 A 17 17 GLU CB C 17 29.774 29.643 0.131 1
1 143 . 11 1 1 A 17 17 GLU C C 17 179.029 179.205 -0.176 1
1 144 . 11 1 1 A 18 18 LEU N N 18 118.004 122.244 -4.240 1
1 145 . 11 1 1 A 18 18 LEU H H 18 7.650 8.184 -0.534 1
1 146 . 11 1 1 A 18 18 LEU CA C 18 58.128 57.960 0.168 1
1 147 . 11 1 1 A 18 18 LEU HA H 18 4.212 4.198 0.014 1
1 148 . 11 1 1 A 18 18 LEU CB C 18 41.700 41.750 -0.050 1
1 161 . 11 1 1 A 18 18 LEU C C 18 179.871 178.342 1.529 1
1 162 . 11 1 1 A 19 19 LEU N N 19 119.600 118.390 1.210 1
1 163 . 11 1 1 A 19 19 LEU H H 19 7.783 8.088 -0.305 1
1 164 . 11 1 1 A 19 19 LEU CA C 19 58.106 58.282 -0.176 1
1 165 . 11 1 1 A 19 19 LEU HA H 19 4.390 4.193 0.197 1
1 166 . 11 1 1 A 19 19 LEU CB C 19 43.169 41.716 1.453 1
1 179 . 11 1 1 A 19 19 LEU C C 19 178.634 179.016 -0.382 1
1 180 . 11 1 1 A 20 20 LEU N N 20 120.243 119.754 0.489 1
1 181 . 11 1 1 A 20 20 LEU H H 20 8.364 7.946 0.418 1
1 182 . 11 1 1 A 20 20 LEU CA C 20 58.390 58.593 -0.203 1
1 183 . 11 1 1 A 20 20 LEU HA H 20 4.083 4.159 -0.076 1
1 184 . 11 1 1 A 20 20 LEU CB C 20 42.005 42.026 -0.021 1
1 197 . 11 1 1 A 20 20 LEU C C 20 178.135 178.749 -0.614 1
1 198 . 11 1 1 A 21 21 ILE N N 21 119.379 119.765 -0.386 1
1 199 . 11 1 1 A 21 21 ILE H H 21 8.133 7.832 0.301 1
1 200 . 11 1 1 A 21 21 ILE CA C 21 64.962 65.595 -0.633 1
1 201 . 11 1 1 A 21 21 ILE HA H 21 3.685 3.630 0.055 1
1 202 . 11 1 1 A 21 21 ILE CB C 21 37.895 37.973 -0.078 1
1 215 . 11 1 1 A 21 21 ILE C C 21 178.423 177.739 0.684 1
1 216 . 11 1 1 A 22 22 ASP N N 22 120.464 120.682 -0.218 1
1 217 . 11 1 1 A 22 22 ASP H H 22 8.203 8.312 -0.109 1
1 218 . 11 1 1 A 22 22 ASP CA C 22 57.332 57.766 -0.434 1
1 219 . 11 1 1 A 22 22 ASP HA H 22 4.400 4.312 0.088 1
1 220 . 11 1 1 A 22 22 ASP CB C 22 41.023 41.348 -0.325 1
1 223 . 11 1 1 A 22 22 ASP C C 22 179.117 178.034 1.083 1
1 224 . 11 1 1 A 23 23 ALA N N 23 123.634 120.500 3.134 1
1 225 . 11 1 1 A 23 23 ALA H H 23 8.819 8.182 0.637 1
1 226 . 11 1 1 A 23 23 ALA CA C 23 55.058 54.684 0.374 1
1 227 . 11 1 1 A 23 23 ALA HA H 23 3.050 3.680 -0.630 1
1 228 . 11 1 1 A 23 23 ALA CB C 23 20.405 18.041 2.364 1
1 232 . 11 1 1 A 23 23 ALA C C 23 179.042 179.359 -0.317 1
1 233 . 11 1 1 A 24 24 CYS N N 24 115.941 118.042 -2.101 1
1 234 . 11 1 1 A 24 24 CYS H H 24 8.227 8.048 0.179 1
1 235 . 11 1 1 A 24 24 CYS CA C 24 63.657 62.257 1.400 1
1 236 . 11 1 1 A 24 24 CYS HA H 24 3.524 3.614 -0.090 1
1 237 . 11 1 1 A 24 24 CYS CB C 24 27.165 26.617 0.548 1
1 240 . 11 1 1 A 24 24 CYS C C 24 177.855 176.243 1.612 1
1 241 . 11 1 1 A 25 25 GLU N N 25 118.624 119.272 -0.648 1
1 242 . 11 1 1 A 25 25 GLU H H 25 8.262 7.761 0.501 1
1 243 . 11 1 1 A 25 25 GLU CA C 25 58.829 58.115 0.714 1
1 244 . 11 1 1 A 25 25 GLU HA H 25 3.974 4.196 -0.222 1
1 245 . 11 1 1 A 25 25 GLU CB C 25 29.896 29.908 -0.012 1
1 251 . 11 1 1 A 25 25 GLU C C 25 178.082 178.817 -0.735 1
1 252 . 11 1 1 A 26 26 THR N N 26 113.708 116.912 -3.204 1
1 253 . 11 1 1 A 26 26 THR H H 26 8.046 7.943 0.103 1
1 254 . 11 1 1 A 26 26 THR CA C 26 65.448 66.078 -0.630 1
1 255 . 11 1 1 A 26 26 THR HA H 26 4.003 3.982 0.021 1
1 256 . 11 1 1 A 26 26 THR CB C 26 69.475 68.887 0.588 1
1 262 . 11 1 1 A 26 26 THR C C 26 175.986 176.245 -0.259 1
1 263 . 11 1 1 A 27 27 LEU N N 27 119.789 118.262 1.527 1
1 264 . 11 1 1 A 27 27 LEU H H 27 8.609 7.785 0.824 1
1 265 . 11 1 1 A 27 27 LEU CA C 27 55.566 56.467 -0.901 1
1 266 . 11 1 1 A 27 27 LEU HA H 27 4.238 3.953 0.285 1
1 267 . 11 1 1 A 27 27 LEU CB C 27 42.130 42.513 -0.383 1
1 280 . 11 1 1 A 27 27 LEU C C 27 179.075 177.555 1.520 1
1 281 . 11 1 1 A 28 28 GLY N N 28 107.009 106.374 0.635 1
1 282 . 11 1 1 A 28 28 GLY H H 28 6.965 7.988 -1.023 1
1 283 . 11 1 1 A 28 28 GLY CA C 28 44.545 44.442 0.103 1
1 284 . 11 1 1 A 28 28 GLY HA2 H 28 4.057 3.889 0.168 1
1 285 . 11 1 1 A 28 28 GLY HA3 H 28 3.664 3.924 -0.260 1
1 286 . 11 1 1 A 28 28 GLY C C 28 173.046 175.059 -2.013 1
1 287 . 11 1 1 A 29 29 LEU N N 29 117.364 124.551 -7.187 1
1 288 . 11 1 1 A 29 29 LEU H H 29 7.960 7.948 0.012 1
1 289 . 11 1 1 A 29 29 LEU CA C 29 54.626 57.251 -2.625 1
1 290 . 11 1 1 A 29 29 LEU HA H 29 3.487 3.008 0.479 1
1 291 . 11 1 1 A 29 29 LEU CB C 29 40.949 40.464 0.485 1
1 304 . 11 1 1 A 29 29 LEU C C 29 177.460 178.594 -1.134 1
1 305 . 11 1 1 A 30 30 GLY N N 30 106.469 106.524 -0.055 1
1 306 . 11 1 1 A 30 30 GLY H H 30 7.503 7.950 -0.447 1
1 307 . 11 1 1 A 30 30 GLY CA C 30 46.003 46.913 -0.910 1
1 308 . 11 1 1 A 30 30 GLY HA2 H 30 3.781 3.751 0.030 1
1 309 . 11 1 1 A 30 30 GLY HA3 H 30 3.638 3.769 -0.131 1
1 310 . 11 1 1 A 30 30 GLY C C 30 174.269 174.502 -0.233 1
1 311 . 11 1 1 A 31 31 ASN N N 31 117.981 116.917 1.064 1
1 312 . 11 1 1 A 31 31 ASN H H 31 7.643 7.838 -0.195 1
1 313 . 11 1 1 A 31 31 ASN CA C 31 52.135 51.673 0.462 1
1 314 . 11 1 1 A 31 31 ASN HA H 31 4.899 4.928 -0.029 1
1 315 . 11 1 1 A 31 31 ASN CB C 31 38.492 38.661 -0.169 1
1 321 . 11 1 1 A 31 31 ASN C C 31 176.436 175.292 1.144 1
1 322 . 11 1 1 A 32 32 TRP N N 32 124.932 124.067 0.865 1
1 323 . 11 1 1 A 32 32 TRP H H 32 8.638 8.123 0.515 1
1 324 . 11 1 1 A 32 32 TRP CA C 32 60.578 60.056 0.522 1
1 325 . 11 1 1 A 32 32 TRP HA H 32 4.257 4.238 0.019 1
1 326 . 11 1 1 A 32 32 TRP CB C 32 29.185 29.055 0.130 1
1 341 . 11 1 1 A 32 32 TRP C C 32 177.477 178.657 -1.180 1
1 342 . 11 1 1 A 33 33 ALA N N 33 123.791 122.089 1.702 1
1 343 . 11 1 1 A 33 33 ALA H H 33 8.522 8.419 0.103 1
1 344 . 11 1 1 A 33 33 ALA CA C 33 55.609 55.406 0.203 1
1 345 . 11 1 1 A 33 33 ALA HA H 33 4.245 4.111 0.134 1
1 346 . 11 1 1 A 33 33 ALA CB C 33 17.931 18.595 -0.664 1
1 350 . 11 1 1 A 33 33 ALA C C 33 179.868 179.405 0.463 1
1 351 . 11 1 1 A 34 34 ASP N N 34 118.553 117.739 0.814 1
1 352 . 11 1 1 A 34 34 ASP H H 34 7.463 7.683 -0.220 1
1 353 . 11 1 1 A 34 34 ASP CA C 34 56.937 57.071 -0.134 1
1 354 . 11 1 1 A 34 34 ASP HA H 34 4.378 4.619 -0.241 1
1 355 . 11 1 1 A 34 34 ASP CB C 34 40.089 40.973 -0.884 1
1 358 . 11 1 1 A 34 34 ASP C C 34 179.385 178.927 0.458 1
1 359 . 11 1 1 A 35 35 ILE N N 35 121.343 120.834 0.509 1
1 360 . 11 1 1 A 35 35 ILE H H 35 7.308 8.083 -0.775 1
1 361 . 11 1 1 A 35 35 ILE CA C 35 64.900 65.556 -0.656 1
1 362 . 11 1 1 A 35 35 ILE HA H 35 3.528 3.878 -0.350 1
1 363 . 11 1 1 A 35 35 ILE CB C 35 37.842 37.888 -0.046 1
1 376 . 11 1 1 A 35 35 ILE C C 35 176.832 177.932 -1.100 1
1 377 . 11 1 1 A 36 36 ALA N N 36 122.328 122.126 0.202 1
1 378 . 11 1 1 A 36 36 ALA H H 36 8.446 8.982 -0.536 1
1 379 . 11 1 1 A 36 36 ALA CA C 36 55.724 55.907 -0.183 1
1 380 . 11 1 1 A 36 36 ALA HA H 36 4.281 4.131 0.150 1
1 381 . 11 1 1 A 36 36 ALA CB C 36 17.153 18.491 -1.338 1
1 385 . 11 1 1 A 36 36 ALA C C 36 181.002 179.375 1.627 1
1 386 . 11 1 1 A 37 37 ASP N N 37 119.092 118.535 0.557 1
1 387 . 11 1 1 A 37 37 ASP H H 37 7.997 8.256 -0.259 1
1 388 . 11 1 1 A 37 37 ASP CA C 37 57.105 56.998 0.107 1
1 389 . 11 1 1 A 37 37 ASP HA H 37 4.392 4.455 -0.063 1
1 390 . 11 1 1 A 37 37 ASP CB C 37 40.808 40.958 -0.150 1
1 393 . 11 1 1 A 37 37 ASP C C 37 177.292 178.089 -0.797 1
1 394 . 11 1 1 A 38 38 TYR N N 38 121.825 120.848 0.977 1
1 395 . 11 1 1 A 38 38 TYR H H 38 7.648 8.342 -0.694 1
1 396 . 11 1 1 A 38 38 TYR CA C 38 60.838 61.275 -0.437 1
1 397 . 11 1 1 A 38 38 TYR HA H 38 4.046 4.198 -0.152 1
1 398 . 11 1 1 A 38 38 TYR CB C 38 39.411 38.603 0.808 1
1 409 . 11 1 1 A 38 38 TYR C C 38 177.306 177.249 0.057 1
1 410 . 11 1 1 A 39 39 VAL N N 39 118.437 119.005 -0.568 1
1 411 . 11 1 1 A 39 39 VAL H H 39 8.306 8.409 -0.103 1
1 412 . 11 1 1 A 39 39 VAL CA C 39 65.398 65.855 -0.457 1
1 413 . 11 1 1 A 39 39 VAL HA H 39 3.707 3.905 -0.198 1
1 414 . 11 1 1 A 39 39 VAL CB C 39 32.833 32.197 0.636 1
1 424 . 11 1 1 A 39 39 VAL C C 39 177.244 177.033 0.211 1
1 425 . 11 1 1 A 40 40 GLY N N 40 105.738 109.295 -3.557 1
1 426 . 11 1 1 A 40 40 GLY H H 40 8.117 7.850 0.267 1
1 427 . 11 1 1 A 40 40 GLY CA C 40 45.890 46.432 -0.542 1
1 428 . 11 1 1 A 40 40 GLY HA2 H 40 3.896 3.903 -0.007 1
1 429 . 11 1 1 A 40 40 GLY HA3 H 40 3.694 3.912 -0.218 1
1 430 . 11 1 1 A 40 40 GLY C C 40 173.930 175.179 -1.249 1
1 431 . 11 1 1 A 41 41 ASN N N 41 116.713 120.566 -3.853 1
1 432 . 11 1 1 A 41 41 ASN H H 41 8.620 9.090 -0.470 1
1 433 . 11 1 1 A 41 41 ASN CA C 41 54.192 54.470 -0.278 1
1 434 . 11 1 1 A 41 41 ASN HA H 41 4.253 4.300 -0.047 1
1 435 . 11 1 1 A 41 41 ASN CB C 41 38.370 36.816 1.554 1
1 441 . 11 1 1 A 41 41 ASN C C 41 173.935 174.485 -0.550 1
1 442 . 11 1 1 A 42 42 ALA N N 42 115.074 113.162 1.912 1
1 443 . 11 1 1 A 42 42 ALA H H 42 8.425 8.233 0.192 1
1 444 . 11 1 1 A 42 42 ALA CA C 42 52.968 53.457 -0.489 1
1 445 . 11 1 1 A 42 42 ALA HA H 42 3.876 3.847 0.029 1
1 446 . 11 1 1 A 42 42 ALA CB C 42 17.871 17.807 0.064 1
1 450 . 11 1 1 A 42 42 ALA C C 42 177.531 176.110 1.421 1
1 451 . 11 1 1 A 43 43 ARG N N 43 119.427 116.273 3.154 1
1 452 . 11 1 1 A 43 43 ARG H H 43 7.773 7.552 0.221 1
1 453 . 11 1 1 A 43 43 ARG CA C 43 54.411 54.048 0.363 1
1 454 . 11 1 1 A 43 43 ARG HA H 43 4.447 4.912 -0.465 1
1 455 . 11 1 1 A 43 43 ARG CB C 43 30.954 33.604 -2.650 1
1 466 . 11 1 1 A 43 43 ARG C C 43 177.734 175.250 2.484 1
1 467 . 11 1 1 A 44 44 THR N N 44 113.165 111.296 1.869 1
1 468 . 11 1 1 A 44 44 THR H H 44 8.918 8.580 0.338 1
1 469 . 11 1 1 A 44 44 THR CA C 44 60.337 60.529 -0.192 1
1 470 . 11 1 1 A 44 44 THR HA H 44 4.625 4.876 -0.251 1
1 471 . 11 1 1 A 44 44 THR CB C 44 72.316 71.401 0.915 1
1 477 . 11 1 1 A 44 44 THR C C 44 177.134 175.049 2.085 1
1 478 . 11 1 1 A 45 45 LYS N N 45 121.142 118.940 2.202 1
1 479 . 11 1 1 A 45 45 LYS H H 45 9.432 8.908 0.524 1
1 480 . 11 1 1 A 45 45 LYS CA C 45 59.938 59.094 0.844 1
1 481 . 11 1 1 A 45 45 LYS HA H 45 4.137 4.158 -0.021 1
1 482 . 11 1 1 A 45 45 LYS CB C 45 32.188 32.390 -0.202 1
1 494 . 11 1 1 A 45 45 LYS C C 45 177.330 178.629 -1.299 1
1 495 . 11 1 1 A 46 46 GLU N N 46 120.446 119.392 1.054 1
1 496 . 11 1 1 A 46 46 GLU H H 46 8.577 8.233 0.344 1
1 497 . 11 1 1 A 46 46 GLU CA C 46 61.051 58.991 2.060 1
1 498 . 11 1 1 A 46 46 GLU HA H 46 3.716 4.000 -0.284 1
1 499 . 11 1 1 A 46 46 GLU CB C 46 28.270 29.365 -1.095 1
1 505 . 11 1 1 A 46 46 GLU C C 46 178.200 178.511 -0.311 1
1 506 . 11 1 1 A 47 47 GLU N N 47 119.411 118.953 0.458 1
1 507 . 11 1 1 A 47 47 GLU H H 47 7.874 8.044 -0.170 1
1 508 . 11 1 1 A 47 47 GLU CA C 47 59.209 58.824 0.385 1
1 509 . 11 1 1 A 47 47 GLU HA H 47 4.139 4.290 -0.151 1
1 510 . 11 1 1 A 47 47 GLU CB C 47 30.970 30.323 0.647 1
1 516 . 11 1 1 A 47 47 GLU C C 47 180.380 178.942 1.438 1
1 517 . 11 1 1 A 48 48 CYS N N 48 117.778 118.910 -1.132 1
1 518 . 11 1 1 A 48 48 CYS H H 48 8.354 8.588 -0.234 1
1 519 . 11 1 1 A 48 48 CYS CA C 48 65.002 63.244 1.758 1
1 520 . 11 1 1 A 48 48 CYS HA H 48 4.331 4.448 -0.117 1
1 521 . 11 1 1 A 48 48 CYS CB C 48 27.262 27.262 0.000 1
1 524 . 11 1 1 A 48 48 CYS C C 48 174.443 177.125 -2.682 1
1 525 . 11 1 1 A 49 49 ARG N N 49 121.012 120.880 0.132 1
1 526 . 11 1 1 A 49 49 ARG H H 49 7.364 7.480 -0.116 1
1 527 . 11 1 1 A 49 49 ARG CA C 49 58.352 58.226 0.126 1
1 528 . 11 1 1 A 49 49 ARG HA H 49 1.940 1.208 0.732 1
1 529 . 11 1 1 A 49 49 ARG CB C 49 29.691 29.105 0.586 1
1 538 . 11 1 1 A 49 49 ARG C C 49 177.306 177.900 -0.594 1
1 539 . 11 1 1 A 50 50 ASP N N 50 116.931 118.176 -1.245 1
1 540 . 11 1 1 A 50 50 ASP H H 50 8.183 8.041 0.142 1
1 541 . 11 1 1 A 50 50 ASP CA C 50 57.267 57.308 -0.041 1
1 542 . 11 1 1 A 50 50 ASP HA H 50 4.170 4.127 0.043 1
1 543 . 11 1 1 A 50 50 ASP CB C 50 40.569 40.359 0.210 1
1 546 . 11 1 1 A 50 50 ASP C C 50 178.695 178.652 0.043 1
1 547 . 11 1 1 A 51 51 HIS N N 51 116.759 120.058 -3.299 1
1 548 . 11 1 1 A 51 51 HIS H H 51 8.276 8.541 -0.265 1
1 549 . 11 1 1 A 51 51 HIS CA C 51 59.374 59.014 0.360 1
1 550 . 11 1 1 A 51 51 HIS HA H 51 3.986 4.016 -0.030 1
1 551 . 11 1 1 A 51 51 HIS CB C 51 28.534 30.128 -1.594 1
1 558 . 11 1 1 A 51 51 HIS C C 51 177.514 176.700 0.814 1
1 559 . 11 1 1 A 52 52 TYR N N 52 121.013 120.019 0.994 1
1 560 . 11 1 1 A 52 52 TYR H H 52 8.364 7.681 0.683 1
1 561 . 11 1 1 A 52 52 TYR CA C 52 62.363 61.372 0.991 1
1 562 . 11 1 1 A 52 52 TYR HA H 52 3.951 4.054 -0.103 1
1 563 . 11 1 1 A 52 52 TYR CB C 52 39.610 38.387 1.223 1
1 574 . 11 1 1 A 52 52 TYR C C 52 177.492 177.382 0.110 1
1 575 . 11 1 1 A 53 53 LEU N N 53 117.616 119.415 -1.799 1
1 576 . 11 1 1 A 53 53 LEU H H 53 8.354 7.746 0.608 1
1 577 . 11 1 1 A 53 53 LEU CA C 53 57.261 56.475 0.786 1
1 578 . 11 1 1 A 53 53 LEU HA H 53 3.985 4.287 -0.302 1
1 579 . 11 1 1 A 53 53 LEU CB C 53 41.403 41.849 -0.446 1
1 592 . 11 1 1 A 53 53 LEU C C 53 178.921 177.622 1.299 1
1 593 . 11 1 1 A 54 54 LYS N N 54 116.037 116.446 -0.409 1
1 594 . 11 1 1 A 54 54 LYS H H 54 7.468 8.100 -0.632 1
1 595 . 11 1 1 A 54 54 LYS CA C 54 57.859 57.453 0.406 1
1 596 . 11 1 1 A 54 54 LYS HA H 54 4.006 4.376 -0.370 1
1 597 . 11 1 1 A 54 54 LYS CB C 54 32.668 33.566 -0.898 1
1 609 . 11 1 1 A 54 54 LYS C C 54 177.318 178.029 -0.711 1
1 610 . 11 1 1 A 55 55 THR N N 55 111.885 115.668 -3.783 1
1 611 . 11 1 1 A 55 55 THR H H 55 7.259 7.529 -0.270 1
1 612 . 11 1 1 A 55 55 THR CA C 55 63.882 65.161 -1.279 1
1 613 . 11 1 1 A 55 55 THR HA H 55 3.864 3.951 -0.087 1
1 614 . 11 1 1 A 55 55 THR CB C 55 69.759 69.211 0.548 1
1 620 . 11 1 1 A 55 55 THR C C 55 174.423 175.675 -1.252 1
1 621 . 11 1 1 A 56 56 TYR N N 56 120.015 119.254 0.761 1
1 622 . 11 1 1 A 56 56 TYR H H 56 7.767 8.196 -0.429 1
1 623 . 11 1 1 A 56 56 TYR CA C 56 58.699 60.589 -1.890 1
1 624 . 11 1 1 A 56 56 TYR HA H 56 4.388 4.124 0.264 1
1 625 . 11 1 1 A 56 56 TYR CB C 56 38.568 38.177 0.391 1
1 636 . 11 1 1 A 56 56 TYR C C 56 175.031 178.214 -3.183 1
1 637 . 11 1 1 A 57 57 ILE N N 57 121.611 119.666 1.945 1
1 638 . 11 1 1 A 57 57 ILE H H 57 7.376 8.238 -0.862 1
1 639 . 11 1 1 A 57 57 ILE CA C 57 60.560 65.064 -4.504 1
1 640 . 11 1 1 A 57 57 ILE HA H 57 4.155 3.641 0.514 1
1 641 . 11 1 1 A 57 57 ILE CB C 57 38.585 37.710 0.875 1
1 654 . 11 1 1 A 57 57 ILE C C 57 175.122 178.163 -3.041 1
1 1 . 12 1 1 A 3 3 SER CA C 3 58.574 59.730 -1.156 1
1 2 . 12 1 1 A 3 3 SER HA H 3 4.477 4.415 0.062 1
1 3 . 12 1 1 A 3 3 SER CB C 3 63.686 64.002 -0.316 1
1 5 . 12 1 1 A 3 3 SER C C 3 175.067 175.285 -0.218 1
1 6 . 12 1 1 A 4 4 GLY N N 4 111.014 111.467 -0.453 1
1 7 . 12 1 1 A 4 4 GLY H H 4 8.466 8.553 -0.087 1
1 8 . 12 1 1 A 4 4 GLY CA C 4 45.338 45.185 0.153 1
1 9 . 12 1 1 A 4 4 GLY HA2 H 4 4.006 4.054 -0.048 1
1 10 . 12 1 1 A 4 4 GLY C C 4 174.344 173.817 0.527 1
1 11 . 12 1 1 A 5 5 SER N N 5 115.891 114.974 0.917 1
1 12 . 12 1 1 A 5 5 SER H H 5 8.294 8.577 -0.283 1
1 13 . 12 1 1 A 5 5 SER CA C 5 58.277 58.836 -0.559 1
1 14 . 12 1 1 A 5 5 SER HA H 5 4.499 4.367 0.132 1
1 15 . 12 1 1 A 5 5 SER CB C 5 63.850 64.111 -0.261 1
1 17 . 12 1 1 A 5 5 SER C C 5 174.840 174.881 -0.041 1
1 18 . 12 1 1 A 6 6 SER N N 6 117.946 119.316 -1.370 1
1 19 . 12 1 1 A 6 6 SER H H 6 8.479 8.696 -0.217 1
1 20 . 12 1 1 A 6 6 SER CA C 6 58.632 58.968 -0.336 1
1 21 . 12 1 1 A 6 6 SER HA H 6 4.427 4.429 -0.002 1
1 22 . 12 1 1 A 6 6 SER CB C 6 63.855 64.228 -0.373 1
1 24 . 12 1 1 A 6 6 SER C C 6 174.852 174.769 0.083 1
1 25 . 12 1 1 A 7 7 GLY N N 7 110.490 112.966 -2.476 1
1 26 . 12 1 1 A 7 7 GLY H H 7 8.354 8.234 0.120 1
1 27 . 12 1 1 A 7 7 GLY CA C 7 45.231 45.760 -0.529 1
1 28 . 12 1 1 A 7 7 GLY HA2 H 7 3.836 3.960 -0.124 1
1 29 . 12 1 1 A 7 7 GLY HA3 H 7 3.898 4.022 -0.124 1
1 30 . 12 1 1 A 7 7 GLY C C 7 173.829 175.205 -1.376 1
1 31 . 12 1 1 A 8 8 PHE N N 8 119.865 116.761 3.104 1
1 32 . 12 1 1 A 8 8 PHE H H 8 8.094 8.127 -0.033 1
1 33 . 12 1 1 A 8 8 PHE CA C 8 57.501 57.148 0.353 1
1 34 . 12 1 1 A 8 8 PHE HA H 8 4.666 4.903 -0.237 1
1 35 . 12 1 1 A 8 8 PHE CB C 8 39.743 38.696 1.047 1
1 48 . 12 1 1 A 8 8 PHE C C 8 175.564 174.237 1.327 1
1 49 . 12 1 1 A 9 9 ASP N N 9 122.084 115.483 6.601 1
1 50 . 12 1 1 A 9 9 ASP H H 9 8.516 8.096 0.420 1
1 51 . 12 1 1 A 9 9 ASP CA C 9 54.372 55.333 -0.961 1
1 52 . 12 1 1 A 9 9 ASP HA H 9 4.599 4.187 0.412 1
1 53 . 12 1 1 A 9 9 ASP CB C 9 41.429 39.245 2.184 1
1 56 . 12 1 1 A 9 9 ASP C C 9 176.168 175.178 0.990 1
1 57 . 12 1 1 A 10 10 GLU N N 10 121.747 119.649 2.098 1
1 58 . 12 1 1 A 10 10 GLU H H 10 8.489 8.108 0.381 1
1 59 . 12 1 1 A 10 10 GLU CA C 10 56.705 55.834 0.871 1
1 60 . 12 1 1 A 10 10 GLU HA H 10 4.359 4.567 -0.208 1
1 61 . 12 1 1 A 10 10 GLU CB C 10 30.039 28.463 1.576 1
1 67 . 12 1 1 A 10 10 GLU C C 10 176.584 175.358 1.226 1
1 68 . 12 1 1 A 11 11 ASN N N 11 119.867 116.180 3.687 1
1 69 . 12 1 1 A 11 11 ASN H H 11 8.479 7.940 0.539 1
1 70 . 12 1 1 A 11 11 ASN CA C 11 53.332 52.672 0.660 1
1 71 . 12 1 1 A 11 11 ASN HA H 11 4.791 5.482 -0.691 1
1 72 . 12 1 1 A 11 11 ASN CB C 11 38.906 41.025 -2.119 1
1 78 . 12 1 1 A 11 11 ASN C C 11 175.284 173.899 1.385 1
1 79 . 12 1 1 A 12 12 TRP N N 12 124.246 125.573 -1.327 1
1 80 . 12 1 1 A 12 12 TRP H H 12 8.819 8.790 0.029 1
1 81 . 12 1 1 A 12 12 TRP CA C 12 57.447 57.133 0.314 1
1 82 . 12 1 1 A 12 12 TRP HA H 12 4.338 4.820 -0.482 1
1 83 . 12 1 1 A 12 12 TRP CB C 12 29.096 30.134 -1.038 1
1 98 . 12 1 1 A 12 12 TRP C C 12 177.403 176.611 0.792 1
1 99 . 12 1 1 A 13 13 GLY N N 13 112.578 108.340 4.238 1
1 100 . 12 1 1 A 13 13 GLY H H 13 9.662 8.599 1.063 1
1 101 . 12 1 1 A 13 13 GLY CA C 13 44.383 44.096 0.287 1
1 102 . 12 1 1 A 13 13 GLY HA2 H 13 4.315 4.226 0.089 1
1 103 . 12 1 1 A 13 13 GLY HA3 H 13 3.989 4.255 -0.266 1
1 104 . 12 1 1 A 13 13 GLY C C 13 174.443 174.805 -0.362 1
1 105 . 12 1 1 A 14 14 ALA N N 14 124.409 122.355 2.054 1
1 106 . 12 1 1 A 14 14 ALA H H 14 8.805 8.561 0.244 1
1 107 . 12 1 1 A 14 14 ALA CA C 14 55.635 54.492 1.143 1
1 108 . 12 1 1 A 14 14 ALA HA H 14 4.225 4.173 0.052 1
1 109 . 12 1 1 A 14 14 ALA CB C 14 18.565 18.956 -0.391 1
1 113 . 12 1 1 A 14 14 ALA C C 14 180.546 179.532 1.014 1
1 114 . 12 1 1 A 15 15 ASP N N 15 115.685 118.685 -3.000 1
1 115 . 12 1 1 A 15 15 ASP H H 15 8.825 8.295 0.530 1
1 116 . 12 1 1 A 15 15 ASP CA C 15 56.775 57.276 -0.501 1
1 117 . 12 1 1 A 15 15 ASP HA H 15 4.416 4.375 0.041 1
1 118 . 12 1 1 A 15 15 ASP CB C 15 39.188 40.774 -1.586 1
1 121 . 12 1 1 A 15 15 ASP C C 15 178.981 178.620 0.361 1
1 122 . 12 1 1 A 16 16 GLU N N 16 121.445 117.839 3.606 1
1 123 . 12 1 1 A 16 16 GLU H H 16 7.772 8.640 -0.868 1
1 124 . 12 1 1 A 16 16 GLU CA C 16 59.380 58.831 0.549 1
1 125 . 12 1 1 A 16 16 GLU HA H 16 4.203 4.231 -0.028 1
1 126 . 12 1 1 A 16 16 GLU CB C 16 30.556 28.426 2.130 1
1 132 . 12 1 1 A 16 16 GLU C C 16 178.517 178.793 -0.276 1
1 133 . 12 1 1 A 17 17 GLU N N 17 118.709 119.821 -1.112 1
1 134 . 12 1 1 A 17 17 GLU H H 17 8.363 8.388 -0.025 1
1 135 . 12 1 1 A 17 17 GLU CA C 17 59.820 59.217 0.603 1
1 136 . 12 1 1 A 17 17 GLU HA H 17 4.429 4.426 0.003 1
1 137 . 12 1 1 A 17 17 GLU CB C 17 29.774 30.166 -0.392 1
1 143 . 12 1 1 A 17 17 GLU C C 17 179.029 179.194 -0.165 1
1 144 . 12 1 1 A 18 18 LEU N N 18 118.004 122.135 -4.131 1
1 145 . 12 1 1 A 18 18 LEU H H 18 7.650 8.029 -0.379 1
1 146 . 12 1 1 A 18 18 LEU CA C 18 58.128 58.056 0.072 1
1 147 . 12 1 1 A 18 18 LEU HA H 18 4.212 4.205 0.007 1
1 148 . 12 1 1 A 18 18 LEU CB C 18 41.700 41.685 0.015 1
1 161 . 12 1 1 A 18 18 LEU C C 18 179.871 178.369 1.502 1
1 162 . 12 1 1 A 19 19 LEU N N 19 119.600 118.950 0.650 1
1 163 . 12 1 1 A 19 19 LEU H H 19 7.783 8.393 -0.610 1
1 164 . 12 1 1 A 19 19 LEU CA C 19 58.106 58.262 -0.156 1
1 165 . 12 1 1 A 19 19 LEU HA H 19 4.390 4.127 0.263 1
1 166 . 12 1 1 A 19 19 LEU CB C 19 43.169 41.995 1.174 1
1 179 . 12 1 1 A 19 19 LEU C C 19 178.634 179.023 -0.389 1
1 180 . 12 1 1 A 20 20 LEU N N 20 120.243 119.598 0.645 1
1 181 . 12 1 1 A 20 20 LEU H H 20 8.364 7.891 0.473 1
1 182 . 12 1 1 A 20 20 LEU CA C 20 58.390 58.653 -0.263 1
1 183 . 12 1 1 A 20 20 LEU HA H 20 4.083 4.141 -0.058 1
1 184 . 12 1 1 A 20 20 LEU CB C 20 42.005 42.046 -0.041 1
1 197 . 12 1 1 A 20 20 LEU C C 20 178.135 178.665 -0.530 1
1 198 . 12 1 1 A 21 21 ILE N N 21 119.379 119.677 -0.298 1
1 199 . 12 1 1 A 21 21 ILE H H 21 8.133 7.799 0.334 1
1 200 . 12 1 1 A 21 21 ILE CA C 21 64.962 65.635 -0.673 1
1 201 . 12 1 1 A 21 21 ILE HA H 21 3.685 3.529 0.156 1
1 202 . 12 1 1 A 21 21 ILE CB C 21 37.895 37.941 -0.046 1
1 215 . 12 1 1 A 21 21 ILE C C 21 178.423 177.776 0.647 1
1 216 . 12 1 1 A 22 22 ASP N N 22 120.464 120.684 -0.220 1
1 217 . 12 1 1 A 22 22 ASP H H 22 8.203 8.369 -0.166 1
1 218 . 12 1 1 A 22 22 ASP CA C 22 57.332 57.900 -0.568 1
1 219 . 12 1 1 A 22 22 ASP HA H 22 4.400 4.312 0.088 1
1 220 . 12 1 1 A 22 22 ASP CB C 22 41.023 41.480 -0.457 1
1 223 . 12 1 1 A 22 22 ASP C C 22 179.117 178.143 0.974 1
1 224 . 12 1 1 A 23 23 ALA N N 23 123.634 120.577 3.057 1
1 225 . 12 1 1 A 23 23 ALA H H 23 8.819 8.277 0.542 1
1 226 . 12 1 1 A 23 23 ALA CA C 23 55.058 54.672 0.386 1
1 227 . 12 1 1 A 23 23 ALA HA H 23 3.050 3.603 -0.553 1
1 228 . 12 1 1 A 23 23 ALA CB C 23 20.405 17.993 2.412 1
1 232 . 12 1 1 A 23 23 ALA C C 23 179.042 179.293 -0.251 1
1 233 . 12 1 1 A 24 24 CYS N N 24 115.941 117.726 -1.785 1
1 234 . 12 1 1 A 24 24 CYS H H 24 8.227 8.069 0.158 1
1 235 . 12 1 1 A 24 24 CYS CA C 24 63.657 62.227 1.430 1
1 236 . 12 1 1 A 24 24 CYS HA H 24 3.524 3.569 -0.045 1
1 237 . 12 1 1 A 24 24 CYS CB C 24 27.165 26.593 0.572 1
1 240 . 12 1 1 A 24 24 CYS C C 24 177.855 176.296 1.559 1
1 241 . 12 1 1 A 25 25 GLU N N 25 118.624 119.225 -0.601 1
1 242 . 12 1 1 A 25 25 GLU H H 25 8.262 7.735 0.527 1
1 243 . 12 1 1 A 25 25 GLU CA C 25 58.829 58.099 0.730 1
1 244 . 12 1 1 A 25 25 GLU HA H 25 3.974 4.183 -0.209 1
1 245 . 12 1 1 A 25 25 GLU CB C 25 29.896 29.994 -0.098 1
1 251 . 12 1 1 A 25 25 GLU C C 25 178.082 178.997 -0.915 1
1 252 . 12 1 1 A 26 26 THR N N 26 113.708 117.556 -3.848 1
1 253 . 12 1 1 A 26 26 THR H H 26 8.046 8.284 -0.238 1
1 254 . 12 1 1 A 26 26 THR CA C 26 65.448 66.131 -0.683 1
1 255 . 12 1 1 A 26 26 THR HA H 26 4.003 3.912 0.091 1
1 256 . 12 1 1 A 26 26 THR CB C 26 69.475 68.612 0.863 1
1 262 . 12 1 1 A 26 26 THR C C 26 175.986 176.160 -0.174 1
1 263 . 12 1 1 A 27 27 LEU N N 27 119.789 118.325 1.464 1
1 264 . 12 1 1 A 27 27 LEU H H 27 8.609 7.628 0.981 1
1 265 . 12 1 1 A 27 27 LEU CA C 27 55.566 56.447 -0.881 1
1 266 . 12 1 1 A 27 27 LEU HA H 27 4.238 3.939 0.299 1
1 267 . 12 1 1 A 27 27 LEU CB C 27 42.130 42.474 -0.344 1
1 280 . 12 1 1 A 27 27 LEU C C 27 179.075 177.559 1.516 1
1 281 . 12 1 1 A 28 28 GLY N N 28 107.009 106.042 0.967 1
1 282 . 12 1 1 A 28 28 GLY H H 28 6.965 7.949 -0.984 1
1 283 . 12 1 1 A 28 28 GLY CA C 28 44.545 44.432 0.113 1
1 284 . 12 1 1 A 28 28 GLY HA2 H 28 4.057 3.894 0.163 1
1 285 . 12 1 1 A 28 28 GLY HA3 H 28 3.664 3.929 -0.265 1
1 286 . 12 1 1 A 28 28 GLY C C 28 173.046 174.908 -1.862 1
1 287 . 12 1 1 A 29 29 LEU N N 29 117.364 124.215 -6.851 1
1 288 . 12 1 1 A 29 29 LEU H H 29 7.960 8.049 -0.089 1
1 289 . 12 1 1 A 29 29 LEU CA C 29 54.626 57.151 -2.525 1
1 290 . 12 1 1 A 29 29 LEU HA H 29 3.487 3.090 0.397 1
1 291 . 12 1 1 A 29 29 LEU CB C 29 40.949 41.109 -0.160 1
1 304 . 12 1 1 A 29 29 LEU C C 29 177.460 178.797 -1.337 1
1 305 . 12 1 1 A 30 30 GLY N N 30 106.469 106.510 -0.041 1
1 306 . 12 1 1 A 30 30 GLY H H 30 7.503 7.963 -0.460 1
1 307 . 12 1 1 A 30 30 GLY CA C 30 46.003 46.946 -0.943 1
1 308 . 12 1 1 A 30 30 GLY HA2 H 30 3.781 3.812 -0.031 1
1 309 . 12 1 1 A 30 30 GLY HA3 H 30 3.638 3.819 -0.181 1
1 310 . 12 1 1 A 30 30 GLY C C 30 174.269 174.407 -0.138 1
1 311 . 12 1 1 A 31 31 ASN N N 31 117.981 116.861 1.120 1
1 312 . 12 1 1 A 31 31 ASN H H 31 7.643 7.951 -0.308 1
1 313 . 12 1 1 A 31 31 ASN CA C 31 52.135 51.816 0.319 1
1 314 . 12 1 1 A 31 31 ASN HA H 31 4.899 4.922 -0.023 1
1 315 . 12 1 1 A 31 31 ASN CB C 31 38.492 38.768 -0.276 1
1 321 . 12 1 1 A 31 31 ASN C C 31 176.436 175.274 1.162 1
1 322 . 12 1 1 A 32 32 TRP N N 32 124.932 123.959 0.973 1
1 323 . 12 1 1 A 32 32 TRP H H 32 8.638 8.243 0.395 1
1 324 . 12 1 1 A 32 32 TRP CA C 32 60.578 60.017 0.561 1
1 325 . 12 1 1 A 32 32 TRP HA H 32 4.257 4.297 -0.040 1
1 326 . 12 1 1 A 32 32 TRP CB C 32 29.185 29.265 -0.080 1
1 341 . 12 1 1 A 32 32 TRP C C 32 177.477 178.636 -1.159 1
1 342 . 12 1 1 A 33 33 ALA N N 33 123.791 122.167 1.624 1
1 343 . 12 1 1 A 33 33 ALA H H 33 8.522 8.326 0.196 1
1 344 . 12 1 1 A 33 33 ALA CA C 33 55.609 55.342 0.267 1
1 345 . 12 1 1 A 33 33 ALA HA H 33 4.245 4.148 0.097 1
1 346 . 12 1 1 A 33 33 ALA CB C 33 17.931 18.594 -0.663 1
1 350 . 12 1 1 A 33 33 ALA C C 33 179.868 179.558 0.310 1
1 351 . 12 1 1 A 34 34 ASP N N 34 118.553 117.937 0.616 1
1 352 . 12 1 1 A 34 34 ASP H H 34 7.463 7.866 -0.403 1
1 353 . 12 1 1 A 34 34 ASP CA C 34 56.937 57.185 -0.248 1
1 354 . 12 1 1 A 34 34 ASP HA H 34 4.378 4.560 -0.182 1
1 355 . 12 1 1 A 34 34 ASP CB C 34 40.089 41.158 -1.069 1
1 358 . 12 1 1 A 34 34 ASP C C 34 179.385 178.972 0.413 1
1 359 . 12 1 1 A 35 35 ILE N N 35 121.343 120.817 0.526 1
1 360 . 12 1 1 A 35 35 ILE H H 35 7.308 7.697 -0.389 1
1 361 . 12 1 1 A 35 35 ILE CA C 35 64.900 65.713 -0.813 1
1 362 . 12 1 1 A 35 35 ILE HA H 35 3.528 3.861 -0.333 1
1 363 . 12 1 1 A 35 35 ILE CB C 35 37.842 37.901 -0.059 1
1 376 . 12 1 1 A 35 35 ILE C C 35 176.832 177.897 -1.065 1
1 377 . 12 1 1 A 36 36 ALA N N 36 122.328 122.128 0.200 1
1 378 . 12 1 1 A 36 36 ALA H H 36 8.446 8.897 -0.451 1
1 379 . 12 1 1 A 36 36 ALA CA C 36 55.724 55.994 -0.270 1
1 380 . 12 1 1 A 36 36 ALA HA H 36 4.281 4.106 0.175 1
1 381 . 12 1 1 A 36 36 ALA CB C 36 17.153 18.625 -1.472 1
1 385 . 12 1 1 A 36 36 ALA C C 36 181.002 179.532 1.470 1
1 386 . 12 1 1 A 37 37 ASP N N 37 119.092 118.539 0.553 1
1 387 . 12 1 1 A 37 37 ASP H H 37 7.997 8.264 -0.267 1
1 388 . 12 1 1 A 37 37 ASP CA C 37 57.105 56.808 0.297 1
1 389 . 12 1 1 A 37 37 ASP HA H 37 4.392 4.443 -0.051 1
1 390 . 12 1 1 A 37 37 ASP CB C 37 40.808 40.762 0.046 1
1 393 . 12 1 1 A 37 37 ASP C C 37 177.292 178.021 -0.729 1
1 394 . 12 1 1 A 38 38 TYR N N 38 121.825 120.931 0.894 1
1 395 . 12 1 1 A 38 38 TYR H H 38 7.648 8.303 -0.655 1
1 396 . 12 1 1 A 38 38 TYR CA C 38 60.838 61.277 -0.439 1
1 397 . 12 1 1 A 38 38 TYR HA H 38 4.046 4.194 -0.148 1
1 398 . 12 1 1 A 38 38 TYR CB C 38 39.411 38.620 0.791 1
1 409 . 12 1 1 A 38 38 TYR C C 38 177.306 177.216 0.090 1
1 410 . 12 1 1 A 39 39 VAL N N 39 118.437 118.953 -0.516 1
1 411 . 12 1 1 A 39 39 VAL H H 39 8.306 8.430 -0.124 1
1 412 . 12 1 1 A 39 39 VAL CA C 39 65.398 65.035 0.363 1
1 413 . 12 1 1 A 39 39 VAL HA H 39 3.707 3.950 -0.243 1
1 414 . 12 1 1 A 39 39 VAL CB C 39 32.833 32.086 0.747 1
1 424 . 12 1 1 A 39 39 VAL C C 39 177.244 177.041 0.203 1
1 425 . 12 1 1 A 40 40 GLY N N 40 105.738 109.183 -3.445 1
1 426 . 12 1 1 A 40 40 GLY H H 40 8.117 7.793 0.324 1
1 427 . 12 1 1 A 40 40 GLY CA C 40 45.890 46.242 -0.352 1
1 428 . 12 1 1 A 40 40 GLY HA2 H 40 3.896 3.917 -0.021 1
1 429 . 12 1 1 A 40 40 GLY HA3 H 40 3.694 3.928 -0.234 1
1 430 . 12 1 1 A 40 40 GLY C C 40 173.930 175.117 -1.187 1
1 431 . 12 1 1 A 41 41 ASN N N 41 116.713 120.512 -3.799 1
1 432 . 12 1 1 A 41 41 ASN H H 41 8.620 9.082 -0.462 1
1 433 . 12 1 1 A 41 41 ASN CA C 41 54.192 54.441 -0.249 1
1 434 . 12 1 1 A 41 41 ASN HA H 41 4.253 4.303 -0.050 1
1 435 . 12 1 1 A 41 41 ASN CB C 41 38.370 36.816 1.554 1
1 441 . 12 1 1 A 41 41 ASN C C 41 173.935 174.518 -0.583 1
1 442 . 12 1 1 A 42 42 ALA N N 42 115.074 113.185 1.889 1
1 443 . 12 1 1 A 42 42 ALA H H 42 8.425 8.237 0.188 1
1 444 . 12 1 1 A 42 42 ALA CA C 42 52.968 53.442 -0.474 1
1 445 . 12 1 1 A 42 42 ALA HA H 42 3.876 3.829 0.047 1
1 446 . 12 1 1 A 42 42 ALA CB C 42 17.871 17.490 0.381 1
1 450 . 12 1 1 A 42 42 ALA C C 42 177.531 176.087 1.444 1
1 451 . 12 1 1 A 43 43 ARG N N 43 119.427 116.058 3.369 1
1 452 . 12 1 1 A 43 43 ARG H H 43 7.773 7.293 0.480 1
1 453 . 12 1 1 A 43 43 ARG CA C 43 54.411 53.981 0.430 1
1 454 . 12 1 1 A 43 43 ARG HA H 43 4.447 4.947 -0.500 1
1 455 . 12 1 1 A 43 43 ARG CB C 43 30.954 33.815 -2.861 1
1 466 . 12 1 1 A 43 43 ARG C C 43 177.734 175.195 2.539 1
1 467 . 12 1 1 A 44 44 THR N N 44 113.165 111.187 1.978 1
1 468 . 12 1 1 A 44 44 THR H H 44 8.918 8.649 0.269 1
1 469 . 12 1 1 A 44 44 THR CA C 44 60.337 60.745 -0.408 1
1 470 . 12 1 1 A 44 44 THR HA H 44 4.625 4.820 -0.195 1
1 471 . 12 1 1 A 44 44 THR CB C 44 72.316 71.215 1.101 1
1 477 . 12 1 1 A 44 44 THR C C 44 177.134 174.870 2.264 1
1 478 . 12 1 1 A 45 45 LYS N N 45 121.142 119.028 2.114 1
1 479 . 12 1 1 A 45 45 LYS H H 45 9.432 8.916 0.516 1
1 480 . 12 1 1 A 45 45 LYS CA C 45 59.938 59.071 0.867 1
1 481 . 12 1 1 A 45 45 LYS HA H 45 4.137 4.144 -0.007 1
1 482 . 12 1 1 A 45 45 LYS CB C 45 32.188 32.268 -0.080 1
1 494 . 12 1 1 A 45 45 LYS C C 45 177.330 178.578 -1.248 1
1 495 . 12 1 1 A 46 46 GLU N N 46 120.446 119.576 0.870 1
1 496 . 12 1 1 A 46 46 GLU H H 46 8.577 8.275 0.302 1
1 497 . 12 1 1 A 46 46 GLU CA C 46 61.051 59.104 1.947 1
1 498 . 12 1 1 A 46 46 GLU HA H 46 3.716 4.014 -0.298 1
1 499 . 12 1 1 A 46 46 GLU CB C 46 28.270 29.384 -1.114 1
1 505 . 12 1 1 A 46 46 GLU C C 46 178.200 178.880 -0.680 1
1 506 . 12 1 1 A 47 47 GLU N N 47 119.411 119.265 0.146 1
1 507 . 12 1 1 A 47 47 GLU H H 47 7.874 7.417 0.457 1
1 508 . 12 1 1 A 47 47 GLU CA C 47 59.209 58.973 0.236 1
1 509 . 12 1 1 A 47 47 GLU HA H 47 4.139 4.265 -0.126 1
1 510 . 12 1 1 A 47 47 GLU CB C 47 30.970 30.300 0.670 1
1 516 . 12 1 1 A 47 47 GLU C C 47 180.380 179.052 1.328 1
1 517 . 12 1 1 A 48 48 CYS N N 48 117.778 119.269 -1.491 1
1 518 . 12 1 1 A 48 48 CYS H H 48 8.354 8.600 -0.246 1
1 519 . 12 1 1 A 48 48 CYS CA C 48 65.002 63.242 1.760 1
1 520 . 12 1 1 A 48 48 CYS HA H 48 4.331 4.418 -0.087 1
1 521 . 12 1 1 A 48 48 CYS CB C 48 27.262 27.395 -0.133 1
1 524 . 12 1 1 A 48 48 CYS C C 48 174.443 177.005 -2.562 1
1 525 . 12 1 1 A 49 49 ARG N N 49 121.012 120.944 0.068 1
1 526 . 12 1 1 A 49 49 ARG H H 49 7.364 7.577 -0.213 1
1 527 . 12 1 1 A 49 49 ARG CA C 49 58.352 58.262 0.090 1
1 528 . 12 1 1 A 49 49 ARG HA H 49 1.940 1.195 0.745 1
1 529 . 12 1 1 A 49 49 ARG CB C 49 29.691 29.326 0.365 1
1 538 . 12 1 1 A 49 49 ARG C C 49 177.306 178.054 -0.748 1
1 539 . 12 1 1 A 50 50 ASP N N 50 116.931 118.250 -1.319 1
1 540 . 12 1 1 A 50 50 ASP H H 50 8.183 7.968 0.215 1
1 541 . 12 1 1 A 50 50 ASP CA C 50 57.267 57.049 0.218 1
1 542 . 12 1 1 A 50 50 ASP HA H 50 4.170 4.222 -0.052 1
1 543 . 12 1 1 A 50 50 ASP CB C 50 40.569 40.735 -0.166 1
1 546 . 12 1 1 A 50 50 ASP C C 50 178.695 178.538 0.157 1
1 547 . 12 1 1 A 51 51 HIS N N 51 116.759 119.939 -3.180 1
1 548 . 12 1 1 A 51 51 HIS H H 51 8.276 8.611 -0.335 1
1 549 . 12 1 1 A 51 51 HIS CA C 51 59.374 59.127 0.247 1
1 550 . 12 1 1 A 51 51 HIS HA H 51 3.986 3.993 -0.007 1
1 551 . 12 1 1 A 51 51 HIS CB C 51 28.534 29.937 -1.403 1
1 558 . 12 1 1 A 51 51 HIS C C 51 177.514 176.690 0.824 1
1 559 . 12 1 1 A 52 52 TYR N N 52 121.013 119.946 1.067 1
1 560 . 12 1 1 A 52 52 TYR H H 52 8.364 7.433 0.931 1
1 561 . 12 1 1 A 52 52 TYR CA C 52 62.363 61.333 1.030 1
1 562 . 12 1 1 A 52 52 TYR HA H 52 3.951 3.916 0.035 1
1 563 . 12 1 1 A 52 52 TYR CB C 52 39.610 38.611 0.999 1
1 574 . 12 1 1 A 52 52 TYR C C 52 177.492 177.449 0.043 1
1 575 . 12 1 1 A 53 53 LEU N N 53 117.616 119.241 -1.625 1
1 576 . 12 1 1 A 53 53 LEU H H 53 8.354 8.049 0.305 1
1 577 . 12 1 1 A 53 53 LEU CA C 53 57.261 56.716 0.545 1
1 578 . 12 1 1 A 53 53 LEU HA H 53 3.985 4.283 -0.298 1
1 579 . 12 1 1 A 53 53 LEU CB C 53 41.403 41.580 -0.177 1
1 592 . 12 1 1 A 53 53 LEU C C 53 178.921 177.649 1.272 1
1 593 . 12 1 1 A 54 54 LYS N N 54 116.037 117.161 -1.124 1
1 594 . 12 1 1 A 54 54 LYS H H 54 7.468 8.317 -0.849 1
1 595 . 12 1 1 A 54 54 LYS CA C 54 57.859 57.521 0.338 1
1 596 . 12 1 1 A 54 54 LYS HA H 54 4.006 4.316 -0.310 1
1 597 . 12 1 1 A 54 54 LYS CB C 54 32.668 33.537 -0.869 1
1 609 . 12 1 1 A 54 54 LYS C C 54 177.318 178.058 -0.740 1
1 610 . 12 1 1 A 55 55 THR N N 55 111.885 115.519 -3.634 1
1 611 . 12 1 1 A 55 55 THR H H 55 7.259 7.562 -0.303 1
1 612 . 12 1 1 A 55 55 THR CA C 55 63.882 65.138 -1.256 1
1 613 . 12 1 1 A 55 55 THR HA H 55 3.864 4.019 -0.155 1
1 614 . 12 1 1 A 55 55 THR CB C 55 69.759 69.463 0.296 1
1 620 . 12 1 1 A 55 55 THR C C 55 174.423 175.644 -1.221 1
1 621 . 12 1 1 A 56 56 TYR N N 56 120.015 118.968 1.047 1
1 622 . 12 1 1 A 56 56 TYR H H 56 7.767 8.246 -0.479 1
1 623 . 12 1 1 A 56 56 TYR CA C 56 58.699 60.727 -2.028 1
1 624 . 12 1 1 A 56 56 TYR HA H 56 4.388 4.117 0.271 1
1 625 . 12 1 1 A 56 56 TYR CB C 56 38.568 38.015 0.553 1
1 636 . 12 1 1 A 56 56 TYR C C 56 175.031 178.153 -3.122 1
1 637 . 12 1 1 A 57 57 ILE N N 57 121.611 120.027 1.584 1
1 638 . 12 1 1 A 57 57 ILE H H 57 7.376 8.091 -0.715 1
1 639 . 12 1 1 A 57 57 ILE CA C 57 60.560 65.251 -4.691 1
1 640 . 12 1 1 A 57 57 ILE HA H 57 4.155 3.753 0.402 1
1 641 . 12 1 1 A 57 57 ILE CB C 57 38.585 37.968 0.617 1
1 654 . 12 1 1 A 57 57 ILE C C 57 175.122 178.543 -3.421 1
1 1 . 13 1 1 A 3 3 SER CA C 3 58.574 57.559 1.015 1
1 2 . 13 1 1 A 3 3 SER HA H 3 4.477 4.957 -0.480 1
1 3 . 13 1 1 A 3 3 SER CB C 3 63.686 65.704 -2.018 1
1 5 . 13 1 1 A 3 3 SER C C 3 175.067 172.789 2.278 1
1 6 . 13 1 1 A 4 4 GLY N N 4 111.014 108.280 2.734 1
1 7 . 13 1 1 A 4 4 GLY H H 4 8.466 8.255 0.211 1
1 8 . 13 1 1 A 4 4 GLY CA C 4 45.338 46.042 -0.704 1
1 9 . 13 1 1 A 4 4 GLY HA2 H 4 4.006 4.016 -0.010 1
1 10 . 13 1 1 A 4 4 GLY C C 4 174.344 173.087 1.257 1
1 11 . 13 1 1 A 5 5 SER N N 5 115.891 117.002 -1.111 1
1 12 . 13 1 1 A 5 5 SER H H 5 8.294 8.654 -0.360 1
1 13 . 13 1 1 A 5 5 SER CA C 5 58.277 59.001 -0.724 1
1 14 . 13 1 1 A 5 5 SER HA H 5 4.499 4.170 0.329 1
1 15 . 13 1 1 A 5 5 SER CB C 5 63.850 61.717 2.133 1
1 17 . 13 1 1 A 5 5 SER C C 5 174.840 174.447 0.393 1
1 18 . 13 1 1 A 6 6 SER N N 6 117.946 115.458 2.488 1
1 19 . 13 1 1 A 6 6 SER H H 6 8.479 7.982 0.497 1
1 20 . 13 1 1 A 6 6 SER CA C 6 58.632 61.714 -3.082 1
1 21 . 13 1 1 A 6 6 SER HA H 6 4.427 4.188 0.239 1
1 22 . 13 1 1 A 6 6 SER CB C 6 63.855 62.926 0.929 1
1 24 . 13 1 1 A 6 6 SER C C 6 174.852 175.908 -1.056 1
1 25 . 13 1 1 A 7 7 GLY N N 7 110.490 108.542 1.948 1
1 26 . 13 1 1 A 7 7 GLY H H 7 8.354 7.950 0.404 1
1 27 . 13 1 1 A 7 7 GLY CA C 7 45.231 45.347 -0.116 1
1 28 . 13 1 1 A 7 7 GLY HA2 H 7 3.836 4.055 -0.219 1
1 29 . 13 1 1 A 7 7 GLY HA3 H 7 3.898 4.112 -0.214 1
1 30 . 13 1 1 A 7 7 GLY C C 7 173.829 174.748 -0.919 1
1 31 . 13 1 1 A 8 8 PHE N N 8 119.865 119.698 0.167 1
1 32 . 13 1 1 A 8 8 PHE H H 8 8.094 7.829 0.265 1
1 33 . 13 1 1 A 8 8 PHE CA C 8 57.501 58.638 -1.137 1
1 34 . 13 1 1 A 8 8 PHE HA H 8 4.666 4.129 0.537 1
1 35 . 13 1 1 A 8 8 PHE CB C 8 39.743 36.681 3.062 1
1 48 . 13 1 1 A 8 8 PHE C C 8 175.564 174.698 0.866 1
1 49 . 13 1 1 A 9 9 ASP N N 9 122.084 111.391 10.693 1
1 50 . 13 1 1 A 9 9 ASP H H 9 8.516 8.506 0.010 1
1 51 . 13 1 1 A 9 9 ASP CA C 9 54.372 55.702 -1.330 1
1 52 . 13 1 1 A 9 9 ASP HA H 9 4.599 4.336 0.263 1
1 53 . 13 1 1 A 9 9 ASP CB C 9 41.429 39.224 2.205 1
1 56 . 13 1 1 A 9 9 ASP C C 9 176.168 175.490 0.678 1
1 57 . 13 1 1 A 10 10 GLU N N 10 121.747 110.527 11.220 1
1 58 . 13 1 1 A 10 10 GLU H H 10 8.489 8.944 -0.455 1
1 59 . 13 1 1 A 10 10 GLU CA C 10 56.705 57.435 -0.730 1
1 60 . 13 1 1 A 10 10 GLU HA H 10 4.359 4.040 0.319 1
1 61 . 13 1 1 A 10 10 GLU CB C 10 30.039 27.685 2.354 1
1 67 . 13 1 1 A 10 10 GLU C C 10 176.584 177.144 -0.560 1
1 68 . 13 1 1 A 11 11 ASN N N 11 119.867 116.084 3.783 1
1 69 . 13 1 1 A 11 11 ASN H H 11 8.479 8.645 -0.166 1
1 70 . 13 1 1 A 11 11 ASN CA C 11 53.332 56.152 -2.820 1
1 71 . 13 1 1 A 11 11 ASN HA H 11 4.791 4.549 0.242 1
1 72 . 13 1 1 A 11 11 ASN CB C 11 38.906 38.086 0.820 1
1 78 . 13 1 1 A 11 11 ASN C C 11 175.284 176.097 -0.813 1
1 79 . 13 1 1 A 12 12 TRP N N 12 124.246 118.500 5.746 1
1 80 . 13 1 1 A 12 12 TRP H H 12 8.819 8.210 0.609 1
1 81 . 13 1 1 A 12 12 TRP CA C 12 57.447 56.158 1.289 1
1 82 . 13 1 1 A 12 12 TRP HA H 12 4.338 4.870 -0.532 1
1 83 . 13 1 1 A 12 12 TRP CB C 12 29.096 32.045 -2.949 1
1 98 . 13 1 1 A 12 12 TRP C C 12 177.403 176.104 1.299 1
1 99 . 13 1 1 A 13 13 GLY N N 13 112.578 108.373 4.205 1
1 100 . 13 1 1 A 13 13 GLY H H 13 9.662 8.836 0.826 1
1 101 . 13 1 1 A 13 13 GLY CA C 13 44.383 44.066 0.317 1
1 102 . 13 1 1 A 13 13 GLY HA2 H 13 4.315 4.451 -0.136 1
1 103 . 13 1 1 A 13 13 GLY HA3 H 13 3.989 4.486 -0.497 1
1 104 . 13 1 1 A 13 13 GLY C C 13 174.443 174.999 -0.556 1
1 105 . 13 1 1 A 14 14 ALA N N 14 124.409 125.206 -0.797 1
1 106 . 13 1 1 A 14 14 ALA H H 14 8.805 9.316 -0.511 1
1 107 . 13 1 1 A 14 14 ALA CA C 14 55.635 54.981 0.654 1
1 108 . 13 1 1 A 14 14 ALA HA H 14 4.225 4.073 0.152 1
1 109 . 13 1 1 A 14 14 ALA CB C 14 18.565 18.358 0.207 1
1 113 . 13 1 1 A 14 14 ALA C C 14 180.546 179.588 0.958 1
1 114 . 13 1 1 A 15 15 ASP N N 15 115.685 118.748 -3.063 1
1 115 . 13 1 1 A 15 15 ASP H H 15 8.825 8.154 0.671 1
1 116 . 13 1 1 A 15 15 ASP CA C 15 56.775 57.374 -0.599 1
1 117 . 13 1 1 A 15 15 ASP HA H 15 4.416 4.404 0.012 1
1 118 . 13 1 1 A 15 15 ASP CB C 15 39.188 40.588 -1.400 1
1 121 . 13 1 1 A 15 15 ASP C C 15 178.981 178.734 0.247 1
1 122 . 13 1 1 A 16 16 GLU N N 16 121.445 117.635 3.810 1
1 123 . 13 1 1 A 16 16 GLU H H 16 7.772 8.486 -0.714 1
1 124 . 13 1 1 A 16 16 GLU CA C 16 59.380 58.647 0.733 1
1 125 . 13 1 1 A 16 16 GLU HA H 16 4.203 4.207 -0.004 1
1 126 . 13 1 1 A 16 16 GLU CB C 16 30.556 28.448 2.108 1
1 132 . 13 1 1 A 16 16 GLU C C 16 178.517 178.507 0.010 1
1 133 . 13 1 1 A 17 17 GLU N N 17 118.709 119.567 -0.858 1
1 134 . 13 1 1 A 17 17 GLU H H 17 8.363 8.700 -0.337 1
1 135 . 13 1 1 A 17 17 GLU CA C 17 59.820 59.588 0.232 1
1 136 . 13 1 1 A 17 17 GLU HA H 17 4.429 4.396 0.033 1
1 137 . 13 1 1 A 17 17 GLU CB C 17 29.774 29.483 0.291 1
1 143 . 13 1 1 A 17 17 GLU C C 17 179.029 179.181 -0.152 1
1 144 . 13 1 1 A 18 18 LEU N N 18 118.004 122.521 -4.517 1
1 145 . 13 1 1 A 18 18 LEU H H 18 7.650 7.980 -0.330 1
1 146 . 13 1 1 A 18 18 LEU CA C 18 58.128 57.666 0.462 1
1 147 . 13 1 1 A 18 18 LEU HA H 18 4.212 4.237 -0.025 1
1 148 . 13 1 1 A 18 18 LEU CB C 18 41.700 42.260 -0.560 1
1 161 . 13 1 1 A 18 18 LEU C C 18 179.871 178.534 1.337 1
1 162 . 13 1 1 A 19 19 LEU N N 19 119.600 118.689 0.911 1
1 163 . 13 1 1 A 19 19 LEU H H 19 7.783 8.187 -0.404 1
1 164 . 13 1 1 A 19 19 LEU CA C 19 58.106 58.351 -0.245 1
1 165 . 13 1 1 A 19 19 LEU HA H 19 4.390 4.131 0.259 1
1 166 . 13 1 1 A 19 19 LEU CB C 19 43.169 41.804 1.365 1
1 179 . 13 1 1 A 19 19 LEU C C 19 178.634 178.963 -0.329 1
1 180 . 13 1 1 A 20 20 LEU N N 20 120.243 119.804 0.439 1
1 181 . 13 1 1 A 20 20 LEU H H 20 8.364 7.955 0.409 1
1 182 . 13 1 1 A 20 20 LEU CA C 20 58.390 58.752 -0.362 1
1 183 . 13 1 1 A 20 20 LEU HA H 20 4.083 4.178 -0.095 1
1 184 . 13 1 1 A 20 20 LEU CB C 20 42.005 41.975 0.030 1
1 197 . 13 1 1 A 20 20 LEU C C 20 178.135 178.832 -0.697 1
1 198 . 13 1 1 A 21 21 ILE N N 21 119.379 119.974 -0.595 1
1 199 . 13 1 1 A 21 21 ILE H H 21 8.133 8.273 -0.140 1
1 200 . 13 1 1 A 21 21 ILE CA C 21 64.962 65.671 -0.709 1
1 201 . 13 1 1 A 21 21 ILE HA H 21 3.685 3.617 0.068 1
1 202 . 13 1 1 A 21 21 ILE CB C 21 37.895 37.917 -0.022 1
1 215 . 13 1 1 A 21 21 ILE C C 21 178.423 177.923 0.500 1
1 216 . 13 1 1 A 22 22 ASP N N 22 120.464 120.849 -0.385 1
1 217 . 13 1 1 A 22 22 ASP H H 22 8.203 8.210 -0.007 1
1 218 . 13 1 1 A 22 22 ASP CA C 22 57.332 57.751 -0.419 1
1 219 . 13 1 1 A 22 22 ASP HA H 22 4.400 4.290 0.110 1
1 220 . 13 1 1 A 22 22 ASP CB C 22 41.023 41.142 -0.119 1
1 223 . 13 1 1 A 22 22 ASP C C 22 179.117 178.056 1.061 1
1 224 . 13 1 1 A 23 23 ALA N N 23 123.634 120.613 3.021 1
1 225 . 13 1 1 A 23 23 ALA H H 23 8.819 8.045 0.774 1
1 226 . 13 1 1 A 23 23 ALA CA C 23 55.058 54.758 0.300 1
1 227 . 13 1 1 A 23 23 ALA HA H 23 3.050 3.666 -0.616 1
1 228 . 13 1 1 A 23 23 ALA CB C 23 20.405 18.311 2.094 1
1 232 . 13 1 1 A 23 23 ALA C C 23 179.042 179.546 -0.504 1
1 233 . 13 1 1 A 24 24 CYS N N 24 115.941 116.228 -0.287 1
1 234 . 13 1 1 A 24 24 CYS H H 24 8.227 8.272 -0.045 1
1 235 . 13 1 1 A 24 24 CYS CA C 24 63.657 62.950 0.707 1
1 236 . 13 1 1 A 24 24 CYS HA H 24 3.524 3.784 -0.260 1
1 237 . 13 1 1 A 24 24 CYS CB C 24 27.165 26.956 0.209 1
1 240 . 13 1 1 A 24 24 CYS C C 24 177.855 176.610 1.245 1
1 241 . 13 1 1 A 25 25 GLU N N 25 118.624 118.889 -0.265 1
1 242 . 13 1 1 A 25 25 GLU H H 25 8.262 7.700 0.562 1
1 243 . 13 1 1 A 25 25 GLU CA C 25 58.829 58.041 0.788 1
1 244 . 13 1 1 A 25 25 GLU HA H 25 3.974 4.199 -0.225 1
1 245 . 13 1 1 A 25 25 GLU CB C 25 29.896 30.066 -0.170 1
1 251 . 13 1 1 A 25 25 GLU C C 25 178.082 178.861 -0.779 1
1 252 . 13 1 1 A 26 26 THR N N 26 113.708 117.528 -3.820 1
1 253 . 13 1 1 A 26 26 THR H H 26 8.046 8.354 -0.308 1
1 254 . 13 1 1 A 26 26 THR CA C 26 65.448 66.288 -0.840 1
1 255 . 13 1 1 A 26 26 THR HA H 26 4.003 3.901 0.102 1
1 256 . 13 1 1 A 26 26 THR CB C 26 69.475 68.473 1.002 1
1 262 . 13 1 1 A 26 26 THR C C 26 175.986 176.264 -0.278 1
1 263 . 13 1 1 A 27 27 LEU N N 27 119.789 118.708 1.081 1
1 264 . 13 1 1 A 27 27 LEU H H 27 8.609 7.708 0.901 1
1 265 . 13 1 1 A 27 27 LEU CA C 27 55.566 56.567 -1.001 1
1 266 . 13 1 1 A 27 27 LEU HA H 27 4.238 3.948 0.290 1
1 267 . 13 1 1 A 27 27 LEU CB C 27 42.130 42.568 -0.438 1
1 280 . 13 1 1 A 27 27 LEU C C 27 179.075 177.400 1.675 1
1 281 . 13 1 1 A 28 28 GLY N N 28 107.009 105.970 1.039 1
1 282 . 13 1 1 A 28 28 GLY H H 28 6.965 7.870 -0.905 1
1 283 . 13 1 1 A 28 28 GLY CA C 28 44.545 44.313 0.232 1
1 284 . 13 1 1 A 28 28 GLY HA2 H 28 4.057 3.885 0.172 1
1 285 . 13 1 1 A 28 28 GLY HA3 H 28 3.664 3.913 -0.249 1
1 286 . 13 1 1 A 28 28 GLY C C 28 173.046 174.793 -1.747 1
1 287 . 13 1 1 A 29 29 LEU N N 29 117.364 121.693 -4.329 1
1 288 . 13 1 1 A 29 29 LEU H H 29 7.960 8.504 -0.544 1
1 289 . 13 1 1 A 29 29 LEU CA C 29 54.626 57.309 -2.683 1
1 290 . 13 1 1 A 29 29 LEU HA H 29 3.487 3.228 0.259 1
1 291 . 13 1 1 A 29 29 LEU CB C 29 40.949 40.849 0.100 1
1 304 . 13 1 1 A 29 29 LEU C C 29 177.460 178.796 -1.336 1
1 305 . 13 1 1 A 30 30 GLY N N 30 106.469 106.353 0.116 1
1 306 . 13 1 1 A 30 30 GLY H H 30 7.503 7.918 -0.415 1
1 307 . 13 1 1 A 30 30 GLY CA C 30 46.003 47.054 -1.051 1
1 308 . 13 1 1 A 30 30 GLY HA2 H 30 3.781 3.754 0.027 1
1 309 . 13 1 1 A 30 30 GLY HA3 H 30 3.638 3.771 -0.133 1
1 310 . 13 1 1 A 30 30 GLY C C 30 174.269 174.393 -0.124 1
1 311 . 13 1 1 A 31 31 ASN N N 31 117.981 117.070 0.911 1
1 312 . 13 1 1 A 31 31 ASN H H 31 7.643 7.775 -0.132 1
1 313 . 13 1 1 A 31 31 ASN CA C 31 52.135 51.681 0.454 1
1 314 . 13 1 1 A 31 31 ASN HA H 31 4.899 4.895 0.004 1
1 315 . 13 1 1 A 31 31 ASN CB C 31 38.492 38.725 -0.233 1
1 321 . 13 1 1 A 31 31 ASN C C 31 176.436 175.275 1.161 1
1 322 . 13 1 1 A 32 32 TRP N N 32 124.932 123.895 1.037 1
1 323 . 13 1 1 A 32 32 TRP H H 32 8.638 8.236 0.402 1
1 324 . 13 1 1 A 32 32 TRP CA C 32 60.578 59.926 0.652 1
1 325 . 13 1 1 A 32 32 TRP HA H 32 4.257 4.283 -0.026 1
1 326 . 13 1 1 A 32 32 TRP CB C 32 29.185 29.236 -0.051 1
1 341 . 13 1 1 A 32 32 TRP C C 32 177.477 178.594 -1.117 1
1 342 . 13 1 1 A 33 33 ALA N N 33 123.791 122.105 1.686 1
1 343 . 13 1 1 A 33 33 ALA H H 33 8.522 8.311 0.211 1
1 344 . 13 1 1 A 33 33 ALA CA C 33 55.609 55.354 0.255 1
1 345 . 13 1 1 A 33 33 ALA HA H 33 4.245 4.157 0.088 1
1 346 . 13 1 1 A 33 33 ALA CB C 33 17.931 18.634 -0.703 1
1 350 . 13 1 1 A 33 33 ALA C C 33 179.868 179.682 0.186 1
1 351 . 13 1 1 A 34 34 ASP N N 34 118.553 118.124 0.429 1
1 352 . 13 1 1 A 34 34 ASP H H 34 7.463 7.603 -0.140 1
1 353 . 13 1 1 A 34 34 ASP CA C 34 56.937 57.226 -0.289 1
1 354 . 13 1 1 A 34 34 ASP HA H 34 4.378 4.536 -0.158 1
1 355 . 13 1 1 A 34 34 ASP CB C 34 40.089 41.142 -1.053 1
1 358 . 13 1 1 A 34 34 ASP C C 34 179.385 179.143 0.242 1
1 359 . 13 1 1 A 35 35 ILE N N 35 121.343 121.221 0.122 1
1 360 . 13 1 1 A 35 35 ILE H H 35 7.308 7.996 -0.688 1
1 361 . 13 1 1 A 35 35 ILE CA C 35 64.900 65.227 -0.327 1
1 362 . 13 1 1 A 35 35 ILE HA H 35 3.528 3.880 -0.352 1
1 363 . 13 1 1 A 35 35 ILE CB C 35 37.842 37.230 0.612 1
1 376 . 13 1 1 A 35 35 ILE C C 35 176.832 178.118 -1.286 1
1 377 . 13 1 1 A 36 36 ALA N N 36 122.328 122.649 -0.321 1
1 378 . 13 1 1 A 36 36 ALA H H 36 8.446 8.756 -0.310 1
1 379 . 13 1 1 A 36 36 ALA CA C 36 55.724 55.785 -0.061 1
1 380 . 13 1 1 A 36 36 ALA HA H 36 4.281 4.168 0.113 1
1 381 . 13 1 1 A 36 36 ALA CB C 36 17.153 18.210 -1.057 1
1 385 . 13 1 1 A 36 36 ALA C C 36 181.002 179.183 1.819 1
1 386 . 13 1 1 A 37 37 ASP N N 37 119.092 118.490 0.602 1
1 387 . 13 1 1 A 37 37 ASP H H 37 7.997 7.833 0.164 1
1 388 . 13 1 1 A 37 37 ASP CA C 37 57.105 57.044 0.061 1
1 389 . 13 1 1 A 37 37 ASP HA H 37 4.392 4.427 -0.035 1
1 390 . 13 1 1 A 37 37 ASP CB C 37 40.808 40.863 -0.055 1
1 393 . 13 1 1 A 37 37 ASP C C 37 177.292 178.072 -0.780 1
1 394 . 13 1 1 A 38 38 TYR N N 38 121.825 120.870 0.955 1
1 395 . 13 1 1 A 38 38 TYR H H 38 7.648 7.850 -0.202 1
1 396 . 13 1 1 A 38 38 TYR CA C 38 60.838 61.093 -0.255 1
1 397 . 13 1 1 A 38 38 TYR HA H 38 4.046 4.197 -0.151 1
1 398 . 13 1 1 A 38 38 TYR CB C 38 39.411 38.653 0.758 1
1 409 . 13 1 1 A 38 38 TYR C C 38 177.306 177.162 0.144 1
1 410 . 13 1 1 A 39 39 VAL N N 39 118.437 118.962 -0.525 1
1 411 . 13 1 1 A 39 39 VAL H H 39 8.306 8.417 -0.111 1
1 412 . 13 1 1 A 39 39 VAL CA C 39 65.398 65.040 0.358 1
1 413 . 13 1 1 A 39 39 VAL HA H 39 3.707 3.958 -0.251 1
1 414 . 13 1 1 A 39 39 VAL CB C 39 32.833 32.059 0.774 1
1 424 . 13 1 1 A 39 39 VAL C C 39 177.244 177.052 0.192 1
1 425 . 13 1 1 A 40 40 GLY N N 40 105.738 109.259 -3.521 1
1 426 . 13 1 1 A 40 40 GLY H H 40 8.117 7.896 0.221 1
1 427 . 13 1 1 A 40 40 GLY CA C 40 45.890 46.442 -0.552 1
1 428 . 13 1 1 A 40 40 GLY HA2 H 40 3.896 3.885 0.011 1
1 429 . 13 1 1 A 40 40 GLY HA3 H 40 3.694 3.896 -0.202 1
1 430 . 13 1 1 A 40 40 GLY C C 40 173.930 175.051 -1.121 1
1 431 . 13 1 1 A 41 41 ASN N N 41 116.713 119.712 -2.999 1
1 432 . 13 1 1 A 41 41 ASN H H 41 8.620 9.060 -0.440 1
1 433 . 13 1 1 A 41 41 ASN CA C 41 54.192 54.462 -0.270 1
1 434 . 13 1 1 A 41 41 ASN HA H 41 4.253 4.287 -0.034 1
1 435 . 13 1 1 A 41 41 ASN CB C 41 38.370 36.772 1.598 1
1 441 . 13 1 1 A 41 41 ASN C C 41 173.935 174.501 -0.566 1
1 442 . 13 1 1 A 42 42 ALA N N 42 115.074 113.216 1.858 1
1 443 . 13 1 1 A 42 42 ALA H H 42 8.425 8.212 0.213 1
1 444 . 13 1 1 A 42 42 ALA CA C 42 52.968 53.486 -0.518 1
1 445 . 13 1 1 A 42 42 ALA HA H 42 3.876 3.837 0.039 1
1 446 . 13 1 1 A 42 42 ALA CB C 42 17.871 17.773 0.098 1
1 450 . 13 1 1 A 42 42 ALA C C 42 177.531 176.110 1.421 1
1 451 . 13 1 1 A 43 43 ARG N N 43 119.427 116.292 3.135 1
1 452 . 13 1 1 A 43 43 ARG H H 43 7.773 7.426 0.347 1
1 453 . 13 1 1 A 43 43 ARG CA C 43 54.411 53.984 0.427 1
1 454 . 13 1 1 A 43 43 ARG HA H 43 4.447 4.893 -0.446 1
1 455 . 13 1 1 A 43 43 ARG CB C 43 30.954 33.707 -2.753 1
1 466 . 13 1 1 A 43 43 ARG C C 43 177.734 174.356 3.378 1
1 467 . 13 1 1 A 44 44 THR N N 44 113.165 113.990 -0.825 1
1 468 . 13 1 1 A 44 44 THR H H 44 8.918 8.538 0.380 1
1 469 . 13 1 1 A 44 44 THR CA C 44 60.337 60.531 -0.194 1
1 470 . 13 1 1 A 44 44 THR HA H 44 4.625 4.954 -0.329 1
1 471 . 13 1 1 A 44 44 THR CB C 44 72.316 70.136 2.180 1
1 477 . 13 1 1 A 44 44 THR C C 44 177.134 174.515 2.619 1
1 478 . 13 1 1 A 45 45 LYS N N 45 121.142 124.636 -3.494 1
1 479 . 13 1 1 A 45 45 LYS H H 45 9.432 8.825 0.607 1
1 480 . 13 1 1 A 45 45 LYS CA C 45 59.938 59.291 0.647 1
1 481 . 13 1 1 A 45 45 LYS HA H 45 4.137 4.093 0.044 1
1 482 . 13 1 1 A 45 45 LYS CB C 45 32.188 32.025 0.163 1
1 494 . 13 1 1 A 45 45 LYS C C 45 177.330 178.038 -0.708 1
1 495 . 13 1 1 A 46 46 GLU N N 46 120.446 119.619 0.827 1
1 496 . 13 1 1 A 46 46 GLU H H 46 8.577 8.763 -0.186 1
1 497 . 13 1 1 A 46 46 GLU CA C 46 61.051 59.501 1.550 1
1 498 . 13 1 1 A 46 46 GLU HA H 46 3.716 3.929 -0.213 1
1 499 . 13 1 1 A 46 46 GLU CB C 46 28.270 29.306 -1.036 1
1 505 . 13 1 1 A 46 46 GLU C C 46 178.200 178.850 -0.650 1
1 506 . 13 1 1 A 47 47 GLU N N 47 119.411 119.156 0.255 1
1 507 . 13 1 1 A 47 47 GLU H H 47 7.874 8.345 -0.471 1
1 508 . 13 1 1 A 47 47 GLU CA C 47 59.209 58.917 0.292 1
1 509 . 13 1 1 A 47 47 GLU HA H 47 4.139 4.225 -0.086 1
1 510 . 13 1 1 A 47 47 GLU CB C 47 30.970 30.259 0.711 1
1 516 . 13 1 1 A 47 47 GLU C C 47 180.380 178.948 1.432 1
1 517 . 13 1 1 A 48 48 CYS N N 48 117.778 118.942 -1.164 1
1 518 . 13 1 1 A 48 48 CYS H H 48 8.354 8.601 -0.247 1
1 519 . 13 1 1 A 48 48 CYS CA C 48 65.002 63.086 1.916 1
1 520 . 13 1 1 A 48 48 CYS HA H 48 4.331 4.291 0.040 1
1 521 . 13 1 1 A 48 48 CYS CB C 48 27.262 27.093 0.169 1
1 524 . 13 1 1 A 48 48 CYS C C 48 174.443 176.941 -2.498 1
1 525 . 13 1 1 A 49 49 ARG N N 49 121.012 120.828 0.184 1
1 526 . 13 1 1 A 49 49 ARG H H 49 7.364 7.522 -0.158 1
1 527 . 13 1 1 A 49 49 ARG CA C 49 58.352 58.196 0.156 1
1 528 . 13 1 1 A 49 49 ARG HA H 49 1.940 1.242 0.698 1
1 529 . 13 1 1 A 49 49 ARG CB C 49 29.691 29.144 0.547 1
1 538 . 13 1 1 A 49 49 ARG C C 49 177.306 177.482 -0.176 1
1 539 . 13 1 1 A 50 50 ASP N N 50 116.931 118.825 -1.894 1
1 540 . 13 1 1 A 50 50 ASP H H 50 8.183 8.068 0.115 1
1 541 . 13 1 1 A 50 50 ASP CA C 50 57.267 57.117 0.150 1
1 542 . 13 1 1 A 50 50 ASP HA H 50 4.170 4.205 -0.035 1
1 543 . 13 1 1 A 50 50 ASP CB C 50 40.569 41.522 -0.953 1
1 546 . 13 1 1 A 50 50 ASP C C 50 178.695 178.192 0.503 1
1 547 . 13 1 1 A 51 51 HIS N N 51 116.759 119.355 -2.596 1
1 548 . 13 1 1 A 51 51 HIS H H 51 8.276 8.494 -0.218 1
1 549 . 13 1 1 A 51 51 HIS CA C 51 59.374 58.882 0.492 1
1 550 . 13 1 1 A 51 51 HIS HA H 51 3.986 4.045 -0.059 1
1 551 . 13 1 1 A 51 51 HIS CB C 51 28.534 29.893 -1.359 1
1 558 . 13 1 1 A 51 51 HIS C C 51 177.514 176.668 0.846 1
1 559 . 13 1 1 A 52 52 TYR N N 52 121.013 119.889 1.124 1
1 560 . 13 1 1 A 52 52 TYR H H 52 8.364 7.477 0.887 1
1 561 . 13 1 1 A 52 52 TYR CA C 52 62.363 61.310 1.053 1
1 562 . 13 1 1 A 52 52 TYR HA H 52 3.951 4.051 -0.100 1
1 563 . 13 1 1 A 52 52 TYR CB C 52 39.610 38.477 1.133 1
1 574 . 13 1 1 A 52 52 TYR C C 52 177.492 177.349 0.143 1
1 575 . 13 1 1 A 53 53 LEU N N 53 117.616 119.543 -1.927 1
1 576 . 13 1 1 A 53 53 LEU H H 53 8.354 7.762 0.592 1
1 577 . 13 1 1 A 53 53 LEU CA C 53 57.261 56.394 0.867 1
1 578 . 13 1 1 A 53 53 LEU HA H 53 3.985 4.312 -0.327 1
1 579 . 13 1 1 A 53 53 LEU CB C 53 41.403 41.856 -0.453 1
1 592 . 13 1 1 A 53 53 LEU C C 53 178.921 177.628 1.293 1
1 593 . 13 1 1 A 54 54 LYS N N 54 116.037 116.381 -0.344 1
1 594 . 13 1 1 A 54 54 LYS H H 54 7.468 7.849 -0.381 1
1 595 . 13 1 1 A 54 54 LYS CA C 54 57.859 57.239 0.620 1
1 596 . 13 1 1 A 54 54 LYS HA H 54 4.006 4.406 -0.400 1
1 597 . 13 1 1 A 54 54 LYS CB C 54 32.668 33.629 -0.961 1
1 609 . 13 1 1 A 54 54 LYS C C 54 177.318 178.080 -0.762 1
1 610 . 13 1 1 A 55 55 THR N N 55 111.885 115.454 -3.569 1
1 611 . 13 1 1 A 55 55 THR H H 55 7.259 7.562 -0.303 1
1 612 . 13 1 1 A 55 55 THR CA C 55 63.882 64.857 -0.975 1
1 613 . 13 1 1 A 55 55 THR HA H 55 3.864 3.097 0.767 1
1 614 . 13 1 1 A 55 55 THR CB C 55 69.759 68.660 1.099 1
1 620 . 13 1 1 A 55 55 THR C C 55 174.423 175.326 -0.903 1
1 621 . 13 1 1 A 56 56 TYR N N 56 120.015 118.476 1.539 1
1 622 . 13 1 1 A 56 56 TYR H H 56 7.767 7.948 -0.181 1
1 623 . 13 1 1 A 56 56 TYR CA C 56 58.699 60.488 -1.789 1
1 624 . 13 1 1 A 56 56 TYR HA H 56 4.388 4.183 0.205 1
1 625 . 13 1 1 A 56 56 TYR CB C 56 38.568 38.447 0.121 1
1 636 . 13 1 1 A 56 56 TYR C C 56 175.031 178.268 -3.237 1
1 637 . 13 1 1 A 57 57 ILE N N 57 121.611 119.902 1.709 1
1 638 . 13 1 1 A 57 57 ILE H H 57 7.376 8.324 -0.948 1
1 639 . 13 1 1 A 57 57 ILE CA C 57 60.560 65.403 -4.843 1
1 640 . 13 1 1 A 57 57 ILE HA H 57 4.155 3.721 0.434 1
1 641 . 13 1 1 A 57 57 ILE CB C 57 38.585 38.081 0.504 1
1 654 . 13 1 1 A 57 57 ILE C C 57 175.122 177.401 -2.279 1
1 1 . 14 1 1 A 3 3 SER CA C 3 58.574 56.586 1.988 1
1 2 . 14 1 1 A 3 3 SER HA H 3 4.477 5.140 -0.663 1
1 3 . 14 1 1 A 3 3 SER CB C 3 63.686 66.234 -2.548 1
1 5 . 14 1 1 A 3 3 SER C C 3 175.067 172.979 2.088 1
1 6 . 14 1 1 A 4 4 GLY N N 4 111.014 107.746 3.268 1
1 7 . 14 1 1 A 4 4 GLY H H 4 8.466 8.768 -0.302 1
1 8 . 14 1 1 A 4 4 GLY CA C 4 45.338 44.962 0.376 1
1 9 . 14 1 1 A 4 4 GLY HA2 H 4 4.006 4.173 -0.167 1
1 10 . 14 1 1 A 4 4 GLY C C 4 174.344 173.196 1.148 1
1 11 . 14 1 1 A 5 5 SER N N 5 115.891 122.496 -6.605 1
1 12 . 14 1 1 A 5 5 SER H H 5 8.294 8.881 -0.587 1
1 13 . 14 1 1 A 5 5 SER CA C 5 58.277 57.191 1.086 1
1 14 . 14 1 1 A 5 5 SER HA H 5 4.499 4.981 -0.482 1
1 15 . 14 1 1 A 5 5 SER CB C 5 63.850 63.967 -0.117 1
1 17 . 14 1 1 A 5 5 SER C C 5 174.840 174.799 0.041 1
1 18 . 14 1 1 A 6 6 SER N N 6 117.946 118.065 -0.119 1
1 19 . 14 1 1 A 6 6 SER H H 6 8.479 8.053 0.426 1
1 20 . 14 1 1 A 6 6 SER CA C 6 58.632 62.715 -4.083 1
1 21 . 14 1 1 A 6 6 SER HA H 6 4.427 4.183 0.244 1
1 22 . 14 1 1 A 6 6 SER CB C 6 63.855 62.823 1.032 1
1 24 . 14 1 1 A 6 6 SER C C 6 174.852 175.346 -0.494 1
1 25 . 14 1 1 A 7 7 GLY N N 7 110.490 107.529 2.961 1
1 26 . 14 1 1 A 7 7 GLY H H 7 8.354 7.874 0.480 1
1 27 . 14 1 1 A 7 7 GLY CA C 7 45.231 44.683 0.548 1
1 28 . 14 1 1 A 7 7 GLY HA2 H 7 3.836 3.952 -0.116 1
1 29 . 14 1 1 A 7 7 GLY HA3 H 7 3.898 4.015 -0.117 1
1 30 . 14 1 1 A 7 7 GLY C C 7 173.829 172.868 0.961 1
1 31 . 14 1 1 A 8 8 PHE N N 8 119.865 120.442 -0.577 1
1 32 . 14 1 1 A 8 8 PHE H H 8 8.094 8.052 0.042 1
1 33 . 14 1 1 A 8 8 PHE CA C 8 57.501 55.365 2.136 1
1 34 . 14 1 1 A 8 8 PHE HA H 8 4.666 5.226 -0.560 1
1 35 . 14 1 1 A 8 8 PHE CB C 8 39.743 39.724 0.019 1
1 48 . 14 1 1 A 8 8 PHE C C 8 175.564 174.246 1.318 1
1 49 . 14 1 1 A 9 9 ASP N N 9 122.084 124.497 -2.413 1
1 50 . 14 1 1 A 9 9 ASP H H 9 8.516 8.490 0.026 1
1 51 . 14 1 1 A 9 9 ASP CA C 9 54.372 53.434 0.938 1
1 52 . 14 1 1 A 9 9 ASP HA H 9 4.599 5.299 -0.700 1
1 53 . 14 1 1 A 9 9 ASP CB C 9 41.429 45.158 -3.729 1
1 56 . 14 1 1 A 9 9 ASP C C 9 176.168 175.204 0.964 1
1 57 . 14 1 1 A 10 10 GLU N N 10 121.747 118.810 2.937 1
1 58 . 14 1 1 A 10 10 GLU H H 10 8.489 8.739 -0.250 1
1 59 . 14 1 1 A 10 10 GLU CA C 10 56.705 56.112 0.593 1
1 60 . 14 1 1 A 10 10 GLU HA H 10 4.359 4.620 -0.261 1
1 61 . 14 1 1 A 10 10 GLU CB C 10 30.039 29.328 0.711 1
1 67 . 14 1 1 A 10 10 GLU C C 10 176.584 175.787 0.797 1
1 68 . 14 1 1 A 11 11 ASN N N 11 119.867 116.229 3.638 1
1 69 . 14 1 1 A 11 11 ASN H H 11 8.479 7.897 0.582 1
1 70 . 14 1 1 A 11 11 ASN CA C 11 53.332 51.633 1.699 1
1 71 . 14 1 1 A 11 11 ASN HA H 11 4.791 5.518 -0.727 1
1 72 . 14 1 1 A 11 11 ASN CB C 11 38.906 42.054 -3.148 1
1 78 . 14 1 1 A 11 11 ASN C C 11 175.284 173.715 1.569 1
1 79 . 14 1 1 A 12 12 TRP N N 12 124.246 123.439 0.807 1
1 80 . 14 1 1 A 12 12 TRP H H 12 8.819 9.112 -0.293 1
1 81 . 14 1 1 A 12 12 TRP CA C 12 57.447 55.756 1.691 1
1 82 . 14 1 1 A 12 12 TRP HA H 12 4.338 5.087 -0.749 1
1 83 . 14 1 1 A 12 12 TRP CB C 12 29.096 30.754 -1.658 1
1 98 . 14 1 1 A 12 12 TRP C C 12 177.403 176.917 0.486 1
1 99 . 14 1 1 A 13 13 GLY N N 13 112.578 110.229 2.349 1
1 100 . 14 1 1 A 13 13 GLY H H 13 9.662 8.653 1.009 1
1 101 . 14 1 1 A 13 13 GLY CA C 13 44.383 45.383 -1.000 1
1 102 . 14 1 1 A 13 13 GLY HA2 H 13 4.315 4.112 0.203 1
1 103 . 14 1 1 A 13 13 GLY HA3 H 13 3.989 4.152 -0.163 1
1 104 . 14 1 1 A 13 13 GLY C C 13 174.443 174.877 -0.434 1
1 105 . 14 1 1 A 14 14 ALA N N 14 124.409 125.481 -1.072 1
1 106 . 14 1 1 A 14 14 ALA H H 14 8.805 9.067 -0.262 1
1 107 . 14 1 1 A 14 14 ALA CA C 14 55.635 55.145 0.490 1
1 108 . 14 1 1 A 14 14 ALA HA H 14 4.225 4.034 0.191 1
1 109 . 14 1 1 A 14 14 ALA CB C 14 18.565 18.421 0.144 1
1 113 . 14 1 1 A 14 14 ALA C C 14 180.546 179.448 1.098 1
1 114 . 14 1 1 A 15 15 ASP N N 15 115.685 118.278 -2.593 1
1 115 . 14 1 1 A 15 15 ASP H H 15 8.825 8.030 0.795 1
1 116 . 14 1 1 A 15 15 ASP CA C 15 56.775 57.235 -0.460 1
1 117 . 14 1 1 A 15 15 ASP HA H 15 4.416 4.370 0.046 1
1 118 . 14 1 1 A 15 15 ASP CB C 15 39.188 40.389 -1.201 1
1 121 . 14 1 1 A 15 15 ASP C C 15 178.981 178.851 0.130 1
1 122 . 14 1 1 A 16 16 GLU N N 16 121.445 117.810 3.635 1
1 123 . 14 1 1 A 16 16 GLU H H 16 7.772 8.456 -0.684 1
1 124 . 14 1 1 A 16 16 GLU CA C 16 59.380 58.538 0.842 1
1 125 . 14 1 1 A 16 16 GLU HA H 16 4.203 4.122 0.081 1
1 126 . 14 1 1 A 16 16 GLU CB C 16 30.556 28.278 2.278 1
1 132 . 14 1 1 A 16 16 GLU C C 16 178.517 178.949 -0.432 1
1 133 . 14 1 1 A 17 17 GLU N N 17 118.709 119.888 -1.179 1
1 134 . 14 1 1 A 17 17 GLU H H 17 8.363 8.502 -0.139 1
1 135 . 14 1 1 A 17 17 GLU CA C 17 59.820 59.237 0.583 1
1 136 . 14 1 1 A 17 17 GLU HA H 17 4.429 4.614 -0.185 1
1 137 . 14 1 1 A 17 17 GLU CB C 17 29.774 30.309 -0.535 1
1 143 . 14 1 1 A 17 17 GLU C C 17 179.029 178.890 0.139 1
1 144 . 14 1 1 A 18 18 LEU N N 18 118.004 122.206 -4.202 1
1 145 . 14 1 1 A 18 18 LEU H H 18 7.650 8.637 -0.987 1
1 146 . 14 1 1 A 18 18 LEU CA C 18 58.128 58.228 -0.100 1
1 147 . 14 1 1 A 18 18 LEU HA H 18 4.212 4.184 0.028 1
1 148 . 14 1 1 A 18 18 LEU CB C 18 41.700 41.429 0.271 1
1 161 . 14 1 1 A 18 18 LEU C C 18 179.871 178.619 1.252 1
1 162 . 14 1 1 A 19 19 LEU N N 19 119.600 118.896 0.704 1
1 163 . 14 1 1 A 19 19 LEU H H 19 7.783 8.179 -0.396 1
1 164 . 14 1 1 A 19 19 LEU CA C 19 58.106 58.348 -0.242 1
1 165 . 14 1 1 A 19 19 LEU HA H 19 4.390 4.145 0.245 1
1 166 . 14 1 1 A 19 19 LEU CB C 19 43.169 42.123 1.046 1
1 179 . 14 1 1 A 19 19 LEU C C 19 178.634 179.019 -0.385 1
1 180 . 14 1 1 A 20 20 LEU N N 20 120.243 119.589 0.654 1
1 181 . 14 1 1 A 20 20 LEU H H 20 8.364 8.307 0.057 1
1 182 . 14 1 1 A 20 20 LEU CA C 20 58.390 58.918 -0.528 1
1 183 . 14 1 1 A 20 20 LEU HA H 20 4.083 4.168 -0.085 1
1 184 . 14 1 1 A 20 20 LEU CB C 20 42.005 42.329 -0.324 1
1 197 . 14 1 1 A 20 20 LEU C C 20 178.135 178.597 -0.462 1
1 198 . 14 1 1 A 21 21 ILE N N 21 119.379 119.677 -0.298 1
1 199 . 14 1 1 A 21 21 ILE H H 21 8.133 7.886 0.247 1
1 200 . 14 1 1 A 21 21 ILE CA C 21 64.962 65.977 -1.015 1
1 201 . 14 1 1 A 21 21 ILE HA H 21 3.685 3.538 0.147 1
1 202 . 14 1 1 A 21 21 ILE CB C 21 37.895 37.919 -0.024 1
1 215 . 14 1 1 A 21 21 ILE C C 21 178.423 177.785 0.638 1
1 216 . 14 1 1 A 22 22 ASP N N 22 120.464 120.631 -0.167 1
1 217 . 14 1 1 A 22 22 ASP H H 22 8.203 8.279 -0.076 1
1 218 . 14 1 1 A 22 22 ASP CA C 22 57.332 57.773 -0.441 1
1 219 . 14 1 1 A 22 22 ASP HA H 22 4.400 4.307 0.093 1
1 220 . 14 1 1 A 22 22 ASP CB C 22 41.023 41.261 -0.238 1
1 223 . 14 1 1 A 22 22 ASP C C 22 179.117 178.180 0.937 1
1 224 . 14 1 1 A 23 23 ALA N N 23 123.634 120.748 2.886 1
1 225 . 14 1 1 A 23 23 ALA H H 23 8.819 8.148 0.671 1
1 226 . 14 1 1 A 23 23 ALA CA C 23 55.058 54.644 0.414 1
1 227 . 14 1 1 A 23 23 ALA HA H 23 3.050 3.647 -0.597 1
1 228 . 14 1 1 A 23 23 ALA CB C 23 20.405 17.764 2.641 1
1 232 . 14 1 1 A 23 23 ALA C C 23 179.042 179.469 -0.427 1
1 233 . 14 1 1 A 24 24 CYS N N 24 115.941 117.981 -2.040 1
1 234 . 14 1 1 A 24 24 CYS H H 24 8.227 8.356 -0.129 1
1 235 . 14 1 1 A 24 24 CYS CA C 24 63.657 62.451 1.206 1
1 236 . 14 1 1 A 24 24 CYS HA H 24 3.524 3.603 -0.079 1
1 237 . 14 1 1 A 24 24 CYS CB C 24 27.165 26.551 0.614 1
1 240 . 14 1 1 A 24 24 CYS C C 24 177.855 176.351 1.504 1
1 241 . 14 1 1 A 25 25 GLU N N 25 118.624 119.200 -0.576 1
1 242 . 14 1 1 A 25 25 GLU H H 25 8.262 7.724 0.538 1
1 243 . 14 1 1 A 25 25 GLU CA C 25 58.829 58.033 0.796 1
1 244 . 14 1 1 A 25 25 GLU HA H 25 3.974 4.187 -0.213 1
1 245 . 14 1 1 A 25 25 GLU CB C 25 29.896 29.944 -0.048 1
1 251 . 14 1 1 A 25 25 GLU C C 25 178.082 179.017 -0.935 1
1 252 . 14 1 1 A 26 26 THR N N 26 113.708 117.731 -4.023 1
1 253 . 14 1 1 A 26 26 THR H H 26 8.046 8.182 -0.136 1
1 254 . 14 1 1 A 26 26 THR CA C 26 65.448 66.274 -0.826 1
1 255 . 14 1 1 A 26 26 THR HA H 26 4.003 3.909 0.094 1
1 256 . 14 1 1 A 26 26 THR CB C 26 69.475 68.534 0.941 1
1 262 . 14 1 1 A 26 26 THR C C 26 175.986 176.273 -0.287 1
1 263 . 14 1 1 A 27 27 LEU N N 27 119.789 118.354 1.435 1
1 264 . 14 1 1 A 27 27 LEU H H 27 8.609 7.659 0.950 1
1 265 . 14 1 1 A 27 27 LEU CA C 27 55.566 56.483 -0.917 1
1 266 . 14 1 1 A 27 27 LEU HA H 27 4.238 3.968 0.270 1
1 267 . 14 1 1 A 27 27 LEU CB C 27 42.130 42.524 -0.394 1
1 280 . 14 1 1 A 27 27 LEU C C 27 179.075 177.642 1.433 1
1 281 . 14 1 1 A 28 28 GLY N N 28 107.009 106.048 0.961 1
1 282 . 14 1 1 A 28 28 GLY H H 28 6.965 8.037 -1.072 1
1 283 . 14 1 1 A 28 28 GLY CA C 28 44.545 44.440 0.105 1
1 284 . 14 1 1 A 28 28 GLY HA2 H 28 4.057 3.906 0.151 1
1 285 . 14 1 1 A 28 28 GLY HA3 H 28 3.664 3.940 -0.276 1
1 286 . 14 1 1 A 28 28 GLY C C 28 173.046 174.977 -1.931 1
1 287 . 14 1 1 A 29 29 LEU N N 29 117.364 123.673 -6.309 1
1 288 . 14 1 1 A 29 29 LEU H H 29 7.960 8.197 -0.237 1
1 289 . 14 1 1 A 29 29 LEU CA C 29 54.626 57.013 -2.387 1
1 290 . 14 1 1 A 29 29 LEU HA H 29 3.487 3.118 0.369 1
1 291 . 14 1 1 A 29 29 LEU CB C 29 40.949 41.009 -0.060 1
1 304 . 14 1 1 A 29 29 LEU C C 29 177.460 178.815 -1.355 1
1 305 . 14 1 1 A 30 30 GLY N N 30 106.469 106.653 -0.184 1
1 306 . 14 1 1 A 30 30 GLY H H 30 7.503 7.984 -0.481 1
1 307 . 14 1 1 A 30 30 GLY CA C 30 46.003 47.053 -1.050 1
1 308 . 14 1 1 A 30 30 GLY HA2 H 30 3.781 3.822 -0.041 1
1 309 . 14 1 1 A 30 30 GLY HA3 H 30 3.638 3.827 -0.189 1
1 310 . 14 1 1 A 30 30 GLY C C 30 174.269 174.452 -0.183 1
1 311 . 14 1 1 A 31 31 ASN N N 31 117.981 116.716 1.265 1
1 312 . 14 1 1 A 31 31 ASN H H 31 7.643 7.806 -0.163 1
1 313 . 14 1 1 A 31 31 ASN CA C 31 52.135 51.861 0.274 1
1 314 . 14 1 1 A 31 31 ASN HA H 31 4.899 4.943 -0.044 1
1 315 . 14 1 1 A 31 31 ASN CB C 31 38.492 38.743 -0.251 1
1 321 . 14 1 1 A 31 31 ASN C C 31 176.436 175.280 1.156 1
1 322 . 14 1 1 A 32 32 TRP N N 32 124.932 123.959 0.973 1
1 323 . 14 1 1 A 32 32 TRP H H 32 8.638 8.259 0.379 1
1 324 . 14 1 1 A 32 32 TRP CA C 32 60.578 59.949 0.629 1
1 325 . 14 1 1 A 32 32 TRP HA H 32 4.257 4.301 -0.044 1
1 326 . 14 1 1 A 32 32 TRP CB C 32 29.185 29.263 -0.078 1
1 341 . 14 1 1 A 32 32 TRP C C 32 177.477 178.674 -1.197 1
1 342 . 14 1 1 A 33 33 ALA N N 33 123.791 122.108 1.683 1
1 343 . 14 1 1 A 33 33 ALA H H 33 8.522 8.326 0.196 1
1 344 . 14 1 1 A 33 33 ALA CA C 33 55.609 55.386 0.223 1
1 345 . 14 1 1 A 33 33 ALA HA H 33 4.245 4.158 0.087 1
1 346 . 14 1 1 A 33 33 ALA CB C 33 17.931 18.705 -0.774 1
1 350 . 14 1 1 A 33 33 ALA C C 33 179.868 179.481 0.387 1
1 351 . 14 1 1 A 34 34 ASP N N 34 118.553 117.843 0.710 1
1 352 . 14 1 1 A 34 34 ASP H H 34 7.463 7.762 -0.299 1
1 353 . 14 1 1 A 34 34 ASP CA C 34 56.937 56.947 -0.010 1
1 354 . 14 1 1 A 34 34 ASP HA H 34 4.378 4.400 -0.022 1
1 355 . 14 1 1 A 34 34 ASP CB C 34 40.089 40.981 -0.892 1
1 358 . 14 1 1 A 34 34 ASP C C 34 179.385 178.562 0.823 1
1 359 . 14 1 1 A 35 35 ILE N N 35 121.343 119.157 2.186 1
1 360 . 14 1 1 A 35 35 ILE H H 35 7.308 7.666 -0.358 1
1 361 . 14 1 1 A 35 35 ILE CA C 35 64.900 65.256 -0.356 1
1 362 . 14 1 1 A 35 35 ILE HA H 35 3.528 4.060 -0.532 1
1 363 . 14 1 1 A 35 35 ILE CB C 35 37.842 37.399 0.443 1
1 376 . 14 1 1 A 35 35 ILE C C 35 176.832 177.923 -1.091 1
1 377 . 14 1 1 A 36 36 ALA N N 36 122.328 121.876 0.452 1
1 378 . 14 1 1 A 36 36 ALA H H 36 8.446 8.832 -0.386 1
1 379 . 14 1 1 A 36 36 ALA CA C 36 55.724 55.993 -0.269 1
1 380 . 14 1 1 A 36 36 ALA HA H 36 4.281 4.148 0.133 1
1 381 . 14 1 1 A 36 36 ALA CB C 36 17.153 18.537 -1.384 1
1 385 . 14 1 1 A 36 36 ALA C C 36 181.002 179.465 1.537 1
1 386 . 14 1 1 A 37 37 ASP N N 37 119.092 118.409 0.683 1
1 387 . 14 1 1 A 37 37 ASP H H 37 7.997 8.273 -0.276 1
1 388 . 14 1 1 A 37 37 ASP CA C 37 57.105 56.800 0.305 1
1 389 . 14 1 1 A 37 37 ASP HA H 37 4.392 4.434 -0.042 1
1 390 . 14 1 1 A 37 37 ASP CB C 37 40.808 40.787 0.021 1
1 393 . 14 1 1 A 37 37 ASP C C 37 177.292 178.035 -0.743 1
1 394 . 14 1 1 A 38 38 TYR N N 38 121.825 120.912 0.913 1
1 395 . 14 1 1 A 38 38 TYR H H 38 7.648 8.191 -0.543 1
1 396 . 14 1 1 A 38 38 TYR CA C 38 60.838 60.755 0.083 1
1 397 . 14 1 1 A 38 38 TYR HA H 38 4.046 4.210 -0.164 1
1 398 . 14 1 1 A 38 38 TYR CB C 38 39.411 38.931 0.480 1
1 409 . 14 1 1 A 38 38 TYR C C 38 177.306 177.307 -0.001 1
1 410 . 14 1 1 A 39 39 VAL N N 39 118.437 118.920 -0.483 1
1 411 . 14 1 1 A 39 39 VAL H H 39 8.306 8.536 -0.230 1
1 412 . 14 1 1 A 39 39 VAL CA C 39 65.398 64.724 0.674 1
1 413 . 14 1 1 A 39 39 VAL HA H 39 3.707 4.035 -0.328 1
1 414 . 14 1 1 A 39 39 VAL CB C 39 32.833 32.119 0.714 1
1 424 . 14 1 1 A 39 39 VAL C C 39 177.244 177.069 0.175 1
1 425 . 14 1 1 A 40 40 GLY N N 40 105.738 109.249 -3.511 1
1 426 . 14 1 1 A 40 40 GLY H H 40 8.117 7.906 0.211 1
1 427 . 14 1 1 A 40 40 GLY CA C 40 45.890 46.524 -0.634 1
1 428 . 14 1 1 A 40 40 GLY HA2 H 40 3.896 3.875 0.021 1
1 429 . 14 1 1 A 40 40 GLY HA3 H 40 3.694 3.893 -0.199 1
1 430 . 14 1 1 A 40 40 GLY C C 40 173.930 174.961 -1.031 1
1 431 . 14 1 1 A 41 41 ASN N N 41 116.713 119.729 -3.016 1
1 432 . 14 1 1 A 41 41 ASN H H 41 8.620 9.022 -0.402 1
1 433 . 14 1 1 A 41 41 ASN CA C 41 54.192 54.409 -0.217 1
1 434 . 14 1 1 A 41 41 ASN HA H 41 4.253 4.276 -0.023 1
1 435 . 14 1 1 A 41 41 ASN CB C 41 38.370 36.736 1.634 1
1 441 . 14 1 1 A 41 41 ASN C C 41 173.935 174.502 -0.567 1
1 442 . 14 1 1 A 42 42 ALA N N 42 115.074 113.210 1.864 1
1 443 . 14 1 1 A 42 42 ALA H H 42 8.425 8.226 0.199 1
1 444 . 14 1 1 A 42 42 ALA CA C 42 52.968 53.480 -0.512 1
1 445 . 14 1 1 A 42 42 ALA HA H 42 3.876 3.847 0.029 1
1 446 . 14 1 1 A 42 42 ALA CB C 42 17.871 17.578 0.293 1
1 450 . 14 1 1 A 42 42 ALA C C 42 177.531 176.087 1.444 1
1 451 . 14 1 1 A 43 43 ARG N N 43 119.427 116.300 3.127 1
1 452 . 14 1 1 A 43 43 ARG H H 43 7.773 7.444 0.329 1
1 453 . 14 1 1 A 43 43 ARG CA C 43 54.411 54.028 0.383 1
1 454 . 14 1 1 A 43 43 ARG HA H 43 4.447 4.983 -0.536 1
1 455 . 14 1 1 A 43 43 ARG CB C 43 30.954 33.872 -2.918 1
1 466 . 14 1 1 A 43 43 ARG C C 43 177.734 174.280 3.454 1
1 467 . 14 1 1 A 44 44 THR N N 44 113.165 113.856 -0.691 1
1 468 . 14 1 1 A 44 44 THR H H 44 8.918 8.586 0.332 1
1 469 . 14 1 1 A 44 44 THR CA C 44 60.337 60.606 -0.269 1
1 470 . 14 1 1 A 44 44 THR HA H 44 4.625 4.968 -0.343 1
1 471 . 14 1 1 A 44 44 THR CB C 44 72.316 70.171 2.145 1
1 477 . 14 1 1 A 44 44 THR C C 44 177.134 174.503 2.631 1
1 478 . 14 1 1 A 45 45 LYS N N 45 121.142 124.831 -3.689 1
1 479 . 14 1 1 A 45 45 LYS H H 45 9.432 8.842 0.590 1
1 480 . 14 1 1 A 45 45 LYS CA C 45 59.938 59.275 0.663 1
1 481 . 14 1 1 A 45 45 LYS HA H 45 4.137 4.136 0.001 1
1 482 . 14 1 1 A 45 45 LYS CB C 45 32.188 32.042 0.146 1
1 494 . 14 1 1 A 45 45 LYS C C 45 177.330 178.046 -0.716 1
1 495 . 14 1 1 A 46 46 GLU N N 46 120.446 119.808 0.638 1
1 496 . 14 1 1 A 46 46 GLU H H 46 8.577 8.775 -0.198 1
1 497 . 14 1 1 A 46 46 GLU CA C 46 61.051 59.659 1.392 1
1 498 . 14 1 1 A 46 46 GLU HA H 46 3.716 3.928 -0.212 1
1 499 . 14 1 1 A 46 46 GLU CB C 46 28.270 29.311 -1.041 1
1 505 . 14 1 1 A 46 46 GLU C C 46 178.200 179.367 -1.167 1
1 506 . 14 1 1 A 47 47 GLU N N 47 119.411 119.089 0.322 1
1 507 . 14 1 1 A 47 47 GLU H H 47 7.874 8.030 -0.156 1
1 508 . 14 1 1 A 47 47 GLU CA C 47 59.209 59.044 0.165 1
1 509 . 14 1 1 A 47 47 GLU HA H 47 4.139 4.216 -0.077 1
1 510 . 14 1 1 A 47 47 GLU CB C 47 30.970 30.244 0.726 1
1 516 . 14 1 1 A 47 47 GLU C C 47 180.380 179.026 1.354 1
1 517 . 14 1 1 A 48 48 CYS N N 48 117.778 119.120 -1.342 1
1 518 . 14 1 1 A 48 48 CYS H H 48 8.354 8.735 -0.381 1
1 519 . 14 1 1 A 48 48 CYS CA C 48 65.002 63.259 1.743 1
1 520 . 14 1 1 A 48 48 CYS HA H 48 4.331 4.377 -0.046 1
1 521 . 14 1 1 A 48 48 CYS CB C 48 27.262 27.121 0.141 1
1 524 . 14 1 1 A 48 48 CYS C C 48 174.443 177.162 -2.719 1
1 525 . 14 1 1 A 49 49 ARG N N 49 121.012 120.836 0.176 1
1 526 . 14 1 1 A 49 49 ARG H H 49 7.364 7.778 -0.414 1
1 527 . 14 1 1 A 49 49 ARG CA C 49 58.352 58.396 -0.044 1
1 528 . 14 1 1 A 49 49 ARG HA H 49 1.940 1.627 0.313 1
1 529 . 14 1 1 A 49 49 ARG CB C 49 29.691 29.324 0.367 1
1 538 . 14 1 1 A 49 49 ARG C C 49 177.306 177.869 -0.563 1
1 539 . 14 1 1 A 50 50 ASP N N 50 116.931 118.112 -1.181 1
1 540 . 14 1 1 A 50 50 ASP H H 50 8.183 8.092 0.091 1
1 541 . 14 1 1 A 50 50 ASP CA C 50 57.267 57.229 0.038 1
1 542 . 14 1 1 A 50 50 ASP HA H 50 4.170 4.130 0.040 1
1 543 . 14 1 1 A 50 50 ASP CB C 50 40.569 40.373 0.196 1
1 546 . 14 1 1 A 50 50 ASP C C 50 178.695 178.612 0.083 1
1 547 . 14 1 1 A 51 51 HIS N N 51 116.759 119.730 -2.971 1
1 548 . 14 1 1 A 51 51 HIS H H 51 8.276 8.520 -0.244 1
1 549 . 14 1 1 A 51 51 HIS CA C 51 59.374 58.933 0.441 1
1 550 . 14 1 1 A 51 51 HIS HA H 51 3.986 4.010 -0.024 1
1 551 . 14 1 1 A 51 51 HIS CB C 51 28.534 29.747 -1.213 1
1 558 . 14 1 1 A 51 51 HIS C C 51 177.514 176.921 0.593 1
1 559 . 14 1 1 A 52 52 TYR N N 52 121.013 119.925 1.088 1
1 560 . 14 1 1 A 52 52 TYR H H 52 8.364 7.533 0.831 1
1 561 . 14 1 1 A 52 52 TYR CA C 52 62.363 61.468 0.895 1
1 562 . 14 1 1 A 52 52 TYR HA H 52 3.951 4.081 -0.130 1
1 563 . 14 1 1 A 52 52 TYR CB C 52 39.610 38.633 0.977 1
1 574 . 14 1 1 A 52 52 TYR C C 52 177.492 177.322 0.170 1
1 575 . 14 1 1 A 53 53 LEU N N 53 117.616 119.254 -1.638 1
1 576 . 14 1 1 A 53 53 LEU H H 53 8.354 7.521 0.833 1
1 577 . 14 1 1 A 53 53 LEU CA C 53 57.261 56.336 0.925 1
1 578 . 14 1 1 A 53 53 LEU HA H 53 3.985 4.294 -0.309 1
1 579 . 14 1 1 A 53 53 LEU CB C 53 41.403 41.951 -0.548 1
1 592 . 14 1 1 A 53 53 LEU C C 53 178.921 177.688 1.233 1
1 593 . 14 1 1 A 54 54 LYS N N 54 116.037 116.254 -0.217 1
1 594 . 14 1 1 A 54 54 LYS H H 54 7.468 8.224 -0.756 1
1 595 . 14 1 1 A 54 54 LYS CA C 54 57.859 57.313 0.546 1
1 596 . 14 1 1 A 54 54 LYS HA H 54 4.006 4.345 -0.339 1
1 597 . 14 1 1 A 54 54 LYS CB C 54 32.668 33.504 -0.836 1
1 609 . 14 1 1 A 54 54 LYS C C 54 177.318 178.189 -0.871 1
1 610 . 14 1 1 A 55 55 THR N N 55 111.885 115.485 -3.600 1
1 611 . 14 1 1 A 55 55 THR H H 55 7.259 7.648 -0.389 1
1 612 . 14 1 1 A 55 55 THR CA C 55 63.882 65.216 -1.334 1
1 613 . 14 1 1 A 55 55 THR HA H 55 3.864 3.966 -0.102 1
1 614 . 14 1 1 A 55 55 THR CB C 55 69.759 69.163 0.596 1
1 620 . 14 1 1 A 55 55 THR C C 55 174.423 175.808 -1.385 1
1 621 . 14 1 1 A 56 56 TYR N N 56 120.015 119.081 0.934 1
1 622 . 14 1 1 A 56 56 TYR H H 56 7.767 7.872 -0.105 1
1 623 . 14 1 1 A 56 56 TYR CA C 56 58.699 60.772 -2.073 1
1 624 . 14 1 1 A 56 56 TYR HA H 56 4.388 4.145 0.243 1
1 625 . 14 1 1 A 56 56 TYR CB C 56 38.568 38.211 0.357 1
1 636 . 14 1 1 A 56 56 TYR C C 56 175.031 178.171 -3.140 1
1 637 . 14 1 1 A 57 57 ILE N N 57 121.611 119.978 1.633 1
1 638 . 14 1 1 A 57 57 ILE H H 57 7.376 8.516 -1.140 1
1 639 . 14 1 1 A 57 57 ILE CA C 57 60.560 64.924 -4.364 1
1 640 . 14 1 1 A 57 57 ILE HA H 57 4.155 3.678 0.477 1
1 641 . 14 1 1 A 57 57 ILE CB C 57 38.585 38.204 0.381 1
1 654 . 14 1 1 A 57 57 ILE C C 57 175.122 177.618 -2.496 1
1 1 . 15 1 1 A 3 3 SER CA C 3 58.574 56.711 1.863 1
1 2 . 15 1 1 A 3 3 SER HA H 3 4.477 5.354 -0.877 1
1 3 . 15 1 1 A 3 3 SER CB C 3 63.686 64.785 -1.099 1
1 5 . 15 1 1 A 3 3 SER C C 3 175.067 174.344 0.723 1
1 6 . 15 1 1 A 4 4 GLY N N 4 111.014 111.738 -0.724 1
1 7 . 15 1 1 A 4 4 GLY H H 4 8.466 8.934 -0.468 1
1 8 . 15 1 1 A 4 4 GLY CA C 4 45.338 43.740 1.598 1
1 9 . 15 1 1 A 4 4 GLY HA2 H 4 4.006 4.225 -0.219 1
1 10 . 15 1 1 A 4 4 GLY C C 4 174.344 173.328 1.016 1
1 11 . 15 1 1 A 5 5 SER N N 5 115.891 113.178 2.713 1
1 12 . 15 1 1 A 5 5 SER H H 5 8.294 8.534 -0.240 1
1 13 . 15 1 1 A 5 5 SER CA C 5 58.277 58.088 0.189 1
1 14 . 15 1 1 A 5 5 SER HA H 5 4.499 4.584 -0.085 1
1 15 . 15 1 1 A 5 5 SER CB C 5 63.850 65.363 -1.513 1
1 17 . 15 1 1 A 5 5 SER C C 5 174.840 174.194 0.646 1
1 18 . 15 1 1 A 6 6 SER N N 6 117.946 118.215 -0.269 1
1 19 . 15 1 1 A 6 6 SER H H 6 8.479 8.581 -0.102 1
1 20 . 15 1 1 A 6 6 SER CA C 6 58.632 60.111 -1.479 1
1 21 . 15 1 1 A 6 6 SER HA H 6 4.427 4.148 0.279 1
1 22 . 15 1 1 A 6 6 SER CB C 6 63.855 62.855 1.000 1
1 24 . 15 1 1 A 6 6 SER C C 6 174.852 174.658 0.194 1
1 25 . 15 1 1 A 7 7 GLY N N 7 110.490 111.023 -0.533 1
1 26 . 15 1 1 A 7 7 GLY H H 7 8.354 8.245 0.109 1
1 27 . 15 1 1 A 7 7 GLY CA C 7 45.231 44.418 0.813 1
1 28 . 15 1 1 A 7 7 GLY HA2 H 7 3.836 3.816 0.020 1
1 29 . 15 1 1 A 7 7 GLY HA3 H 7 3.898 3.998 -0.100 1
1 30 . 15 1 1 A 7 7 GLY C C 7 173.829 171.956 1.873 1
1 31 . 15 1 1 A 8 8 PHE N N 8 119.865 120.000 -0.135 1
1 32 . 15 1 1 A 8 8 PHE H H 8 8.094 8.358 -0.264 1
1 33 . 15 1 1 A 8 8 PHE CA C 8 57.501 56.677 0.824 1
1 34 . 15 1 1 A 8 8 PHE HA H 8 4.666 5.057 -0.391 1
1 35 . 15 1 1 A 8 8 PHE CB C 8 39.743 40.238 -0.495 1
1 48 . 15 1 1 A 8 8 PHE C C 8 175.564 173.838 1.726 1
1 49 . 15 1 1 A 9 9 ASP N N 9 122.084 125.007 -2.923 1
1 50 . 15 1 1 A 9 9 ASP H H 9 8.516 8.986 -0.470 1
1 51 . 15 1 1 A 9 9 ASP CA C 9 54.372 52.698 1.674 1
1 52 . 15 1 1 A 9 9 ASP HA H 9 4.599 5.142 -0.543 1
1 53 . 15 1 1 A 9 9 ASP CB C 9 41.429 42.690 -1.261 1
1 56 . 15 1 1 A 9 9 ASP C C 9 176.168 175.206 0.962 1
1 57 . 15 1 1 A 10 10 GLU N N 10 121.747 125.062 -3.315 1
1 58 . 15 1 1 A 10 10 GLU H H 10 8.489 8.897 -0.408 1
1 59 . 15 1 1 A 10 10 GLU CA C 10 56.705 57.586 -0.881 1
1 60 . 15 1 1 A 10 10 GLU HA H 10 4.359 3.849 0.510 1
1 61 . 15 1 1 A 10 10 GLU CB C 10 30.039 27.868 2.171 1
1 67 . 15 1 1 A 10 10 GLU C C 10 176.584 176.526 0.058 1
1 68 . 15 1 1 A 11 11 ASN N N 11 119.867 116.641 3.226 1
1 69 . 15 1 1 A 11 11 ASN H H 11 8.479 8.421 0.058 1
1 70 . 15 1 1 A 11 11 ASN CA C 11 53.332 53.009 0.323 1
1 71 . 15 1 1 A 11 11 ASN HA H 11 4.791 4.998 -0.207 1
1 72 . 15 1 1 A 11 11 ASN CB C 11 38.906 37.879 1.027 1
1 78 . 15 1 1 A 11 11 ASN C C 11 175.284 174.812 0.472 1
1 79 . 15 1 1 A 12 12 TRP N N 12 124.246 120.318 3.928 1
1 80 . 15 1 1 A 12 12 TRP H H 12 8.819 7.711 1.108 1
1 81 . 15 1 1 A 12 12 TRP CA C 12 57.447 55.396 2.051 1
1 82 . 15 1 1 A 12 12 TRP HA H 12 4.338 5.231 -0.893 1
1 83 . 15 1 1 A 12 12 TRP CB C 12 29.096 33.486 -4.390 1
1 98 . 15 1 1 A 12 12 TRP C C 12 177.403 176.269 1.134 1
1 99 . 15 1 1 A 13 13 GLY N N 13 112.578 108.058 4.520 1
1 100 . 15 1 1 A 13 13 GLY H H 13 9.662 8.887 0.775 1
1 101 . 15 1 1 A 13 13 GLY CA C 13 44.383 43.607 0.776 1
1 102 . 15 1 1 A 13 13 GLY HA2 H 13 4.315 4.441 -0.126 1
1 103 . 15 1 1 A 13 13 GLY HA3 H 13 3.989 4.470 -0.481 1
1 104 . 15 1 1 A 13 13 GLY C C 13 174.443 174.934 -0.491 1
1 105 . 15 1 1 A 14 14 ALA N N 14 124.409 122.490 1.919 1
1 106 . 15 1 1 A 14 14 ALA H H 14 8.805 9.095 -0.290 1
1 107 . 15 1 1 A 14 14 ALA CA C 14 55.635 54.551 1.084 1
1 108 . 15 1 1 A 14 14 ALA HA H 14 4.225 4.097 0.128 1
1 109 . 15 1 1 A 14 14 ALA CB C 14 18.565 18.280 0.285 1
1 113 . 15 1 1 A 14 14 ALA C C 14 180.546 179.265 1.281 1
1 114 . 15 1 1 A 15 15 ASP N N 15 115.685 119.012 -3.327 1
1 115 . 15 1 1 A 15 15 ASP H H 15 8.825 8.294 0.531 1
1 116 . 15 1 1 A 15 15 ASP CA C 15 56.775 57.202 -0.427 1
1 117 . 15 1 1 A 15 15 ASP HA H 15 4.416 4.375 0.041 1
1 118 . 15 1 1 A 15 15 ASP CB C 15 39.188 41.181 -1.993 1
1 121 . 15 1 1 A 15 15 ASP C C 15 178.981 178.639 0.342 1
1 122 . 15 1 1 A 16 16 GLU N N 16 121.445 117.950 3.495 1
1 123 . 15 1 1 A 16 16 GLU H H 16 7.772 8.550 -0.778 1
1 124 . 15 1 1 A 16 16 GLU CA C 16 59.380 58.843 0.537 1
1 125 . 15 1 1 A 16 16 GLU HA H 16 4.203 4.206 -0.003 1
1 126 . 15 1 1 A 16 16 GLU CB C 16 30.556 28.657 1.899 1
1 132 . 15 1 1 A 16 16 GLU C C 16 178.517 178.613 -0.096 1
1 133 . 15 1 1 A 17 17 GLU N N 17 118.709 119.699 -0.990 1
1 134 . 15 1 1 A 17 17 GLU H H 17 8.363 8.161 0.202 1
1 135 . 15 1 1 A 17 17 GLU CA C 17 59.820 59.492 0.328 1
1 136 . 15 1 1 A 17 17 GLU HA H 17 4.429 4.402 0.027 1
1 137 . 15 1 1 A 17 17 GLU CB C 17 29.774 29.583 0.191 1
1 143 . 15 1 1 A 17 17 GLU C C 17 179.029 179.398 -0.369 1
1 144 . 15 1 1 A 18 18 LEU N N 18 118.004 122.182 -4.178 1
1 145 . 15 1 1 A 18 18 LEU H H 18 7.650 7.790 -0.140 1
1 146 . 15 1 1 A 18 18 LEU CA C 18 58.128 57.854 0.274 1
1 147 . 15 1 1 A 18 18 LEU HA H 18 4.212 4.205 0.007 1
1 148 . 15 1 1 A 18 18 LEU CB C 18 41.700 41.866 -0.166 1
1 161 . 15 1 1 A 18 18 LEU C C 18 179.871 178.939 0.932 1
1 162 . 15 1 1 A 19 19 LEU N N 19 119.600 118.922 0.678 1
1 163 . 15 1 1 A 19 19 LEU H H 19 7.783 7.969 -0.186 1
1 164 . 15 1 1 A 19 19 LEU CA C 19 58.106 58.069 0.037 1
1 165 . 15 1 1 A 19 19 LEU HA H 19 4.390 4.300 0.090 1
1 166 . 15 1 1 A 19 19 LEU CB C 19 43.169 41.928 1.241 1
1 179 . 15 1 1 A 19 19 LEU C C 19 178.634 179.105 -0.471 1
1 180 . 15 1 1 A 20 20 LEU N N 20 120.243 119.683 0.560 1
1 181 . 15 1 1 A 20 20 LEU H H 20 8.364 8.039 0.325 1
1 182 . 15 1 1 A 20 20 LEU CA C 20 58.390 58.531 -0.141 1
1 183 . 15 1 1 A 20 20 LEU HA H 20 4.083 4.170 -0.087 1
1 184 . 15 1 1 A 20 20 LEU CB C 20 42.005 42.242 -0.237 1
1 197 . 15 1 1 A 20 20 LEU C C 20 178.135 178.719 -0.584 1
1 198 . 15 1 1 A 21 21 ILE N N 21 119.379 119.697 -0.318 1
1 199 . 15 1 1 A 21 21 ILE H H 21 8.133 7.823 0.310 1
1 200 . 15 1 1 A 21 21 ILE CA C 21 64.962 65.691 -0.729 1
1 201 . 15 1 1 A 21 21 ILE HA H 21 3.685 3.688 -0.003 1
1 202 . 15 1 1 A 21 21 ILE CB C 21 37.895 38.165 -0.270 1
1 215 . 15 1 1 A 21 21 ILE C C 21 178.423 177.900 0.523 1
1 216 . 15 1 1 A 22 22 ASP N N 22 120.464 120.647 -0.183 1
1 217 . 15 1 1 A 22 22 ASP H H 22 8.203 8.369 -0.166 1
1 218 . 15 1 1 A 22 22 ASP CA C 22 57.332 57.693 -0.361 1
1 219 . 15 1 1 A 22 22 ASP HA H 22 4.400 4.300 0.100 1
1 220 . 15 1 1 A 22 22 ASP CB C 22 41.023 41.400 -0.377 1
1 223 . 15 1 1 A 22 22 ASP C C 22 179.117 178.004 1.113 1
1 224 . 15 1 1 A 23 23 ALA N N 23 123.634 120.491 3.143 1
1 225 . 15 1 1 A 23 23 ALA H H 23 8.819 8.206 0.613 1
1 226 . 15 1 1 A 23 23 ALA CA C 23 55.058 54.639 0.419 1
1 227 . 15 1 1 A 23 23 ALA HA H 23 3.050 3.648 -0.598 1
1 228 . 15 1 1 A 23 23 ALA CB C 23 20.405 17.915 2.490 1
1 232 . 15 1 1 A 23 23 ALA C C 23 179.042 179.397 -0.355 1
1 233 . 15 1 1 A 24 24 CYS N N 24 115.941 117.987 -2.046 1
1 234 . 15 1 1 A 24 24 CYS H H 24 8.227 7.936 0.291 1
1 235 . 15 1 1 A 24 24 CYS CA C 24 63.657 62.228 1.429 1
1 236 . 15 1 1 A 24 24 CYS HA H 24 3.524 3.574 -0.050 1
1 237 . 15 1 1 A 24 24 CYS CB C 24 27.165 26.609 0.556 1
1 240 . 15 1 1 A 24 24 CYS C C 24 177.855 176.303 1.552 1
1 241 . 15 1 1 A 25 25 GLU N N 25 118.624 119.168 -0.544 1
1 242 . 15 1 1 A 25 25 GLU H H 25 8.262 7.768 0.494 1
1 243 . 15 1 1 A 25 25 GLU CA C 25 58.829 58.108 0.721 1
1 244 . 15 1 1 A 25 25 GLU HA H 25 3.974 4.186 -0.212 1
1 245 . 15 1 1 A 25 25 GLU CB C 25 29.896 29.959 -0.063 1
1 251 . 15 1 1 A 25 25 GLU C C 25 178.082 178.863 -0.781 1
1 252 . 15 1 1 A 26 26 THR N N 26 113.708 117.531 -3.823 1
1 253 . 15 1 1 A 26 26 THR H H 26 8.046 8.058 -0.012 1
1 254 . 15 1 1 A 26 26 THR CA C 26 65.448 66.089 -0.641 1
1 255 . 15 1 1 A 26 26 THR HA H 26 4.003 3.936 0.067 1
1 256 . 15 1 1 A 26 26 THR CB C 26 69.475 68.739 0.736 1
1 262 . 15 1 1 A 26 26 THR C C 26 175.986 176.265 -0.279 1
1 263 . 15 1 1 A 27 27 LEU N N 27 119.789 118.348 1.441 1
1 264 . 15 1 1 A 27 27 LEU H H 27 8.609 7.707 0.902 1
1 265 . 15 1 1 A 27 27 LEU CA C 27 55.566 56.466 -0.900 1
1 266 . 15 1 1 A 27 27 LEU HA H 27 4.238 3.963 0.275 1
1 267 . 15 1 1 A 27 27 LEU CB C 27 42.130 42.508 -0.378 1
1 280 . 15 1 1 A 27 27 LEU C C 27 179.075 177.573 1.502 1
1 281 . 15 1 1 A 28 28 GLY N N 28 107.009 106.068 0.941 1
1 282 . 15 1 1 A 28 28 GLY H H 28 6.965 8.011 -1.046 1
1 283 . 15 1 1 A 28 28 GLY CA C 28 44.545 44.431 0.114 1
1 284 . 15 1 1 A 28 28 GLY HA2 H 28 4.057 3.894 0.163 1
1 285 . 15 1 1 A 28 28 GLY HA3 H 28 3.664 3.931 -0.267 1
1 286 . 15 1 1 A 28 28 GLY C C 28 173.046 174.905 -1.859 1
1 287 . 15 1 1 A 29 29 LEU N N 29 117.364 124.297 -6.933 1
1 288 . 15 1 1 A 29 29 LEU H H 29 7.960 8.021 -0.061 1
1 289 . 15 1 1 A 29 29 LEU CA C 29 54.626 57.212 -2.586 1
1 290 . 15 1 1 A 29 29 LEU HA H 29 3.487 3.031 0.456 1
1 291 . 15 1 1 A 29 29 LEU CB C 29 40.949 40.820 0.129 1
1 304 . 15 1 1 A 29 29 LEU C C 29 177.460 178.687 -1.227 1
1 305 . 15 1 1 A 30 30 GLY N N 30 106.469 106.702 -0.233 1
1 306 . 15 1 1 A 30 30 GLY H H 30 7.503 7.886 -0.383 1
1 307 . 15 1 1 A 30 30 GLY CA C 30 46.003 47.132 -1.129 1
1 308 . 15 1 1 A 30 30 GLY HA2 H 30 3.781 3.774 0.007 1
1 309 . 15 1 1 A 30 30 GLY HA3 H 30 3.638 3.777 -0.139 1
1 310 . 15 1 1 A 30 30 GLY C C 30 174.269 174.402 -0.133 1
1 311 . 15 1 1 A 31 31 ASN N N 31 117.981 117.081 0.900 1
1 312 . 15 1 1 A 31 31 ASN H H 31 7.643 7.960 -0.317 1
1 313 . 15 1 1 A 31 31 ASN CA C 31 52.135 51.664 0.471 1
1 314 . 15 1 1 A 31 31 ASN HA H 31 4.899 4.902 -0.003 1
1 315 . 15 1 1 A 31 31 ASN CB C 31 38.492 38.613 -0.121 1
1 321 . 15 1 1 A 31 31 ASN C C 31 176.436 175.198 1.238 1
1 322 . 15 1 1 A 32 32 TRP N N 32 124.932 123.983 0.949 1
1 323 . 15 1 1 A 32 32 TRP H H 32 8.638 8.219 0.419 1
1 324 . 15 1 1 A 32 32 TRP CA C 32 60.578 59.967 0.611 1
1 325 . 15 1 1 A 32 32 TRP HA H 32 4.257 4.273 -0.016 1
1 326 . 15 1 1 A 32 32 TRP CB C 32 29.185 29.134 0.051 1
1 341 . 15 1 1 A 32 32 TRP C C 32 177.477 178.618 -1.141 1
1 342 . 15 1 1 A 33 33 ALA N N 33 123.791 122.126 1.665 1
1 343 . 15 1 1 A 33 33 ALA H H 33 8.522 8.324 0.198 1
1 344 . 15 1 1 A 33 33 ALA CA C 33 55.609 55.342 0.267 1
1 345 . 15 1 1 A 33 33 ALA HA H 33 4.245 4.156 0.089 1
1 346 . 15 1 1 A 33 33 ALA CB C 33 17.931 18.694 -0.763 1
1 350 . 15 1 1 A 33 33 ALA C C 33 179.868 179.630 0.238 1
1 351 . 15 1 1 A 34 34 ASP N N 34 118.553 117.875 0.678 1
1 352 . 15 1 1 A 34 34 ASP H H 34 7.463 8.081 -0.618 1
1 353 . 15 1 1 A 34 34 ASP CA C 34 56.937 56.919 0.018 1
1 354 . 15 1 1 A 34 34 ASP HA H 34 4.378 4.390 -0.012 1
1 355 . 15 1 1 A 34 34 ASP CB C 34 40.089 40.968 -0.879 1
1 358 . 15 1 1 A 34 34 ASP C C 34 179.385 178.784 0.601 1
1 359 . 15 1 1 A 35 35 ILE N N 35 121.343 119.745 1.598 1
1 360 . 15 1 1 A 35 35 ILE H H 35 7.308 7.576 -0.268 1
1 361 . 15 1 1 A 35 35 ILE CA C 35 64.900 65.903 -1.003 1
1 362 . 15 1 1 A 35 35 ILE HA H 35 3.528 3.804 -0.276 1
1 363 . 15 1 1 A 35 35 ILE CB C 35 37.842 37.999 -0.157 1
1 376 . 15 1 1 A 35 35 ILE C C 35 176.832 177.911 -1.079 1
1 377 . 15 1 1 A 36 36 ALA N N 36 122.328 121.934 0.394 1
1 378 . 15 1 1 A 36 36 ALA H H 36 8.446 8.957 -0.511 1
1 379 . 15 1 1 A 36 36 ALA CA C 36 55.724 55.839 -0.115 1
1 380 . 15 1 1 A 36 36 ALA HA H 36 4.281 4.108 0.173 1
1 381 . 15 1 1 A 36 36 ALA CB C 36 17.153 18.465 -1.312 1
1 385 . 15 1 1 A 36 36 ALA C C 36 181.002 179.474 1.528 1
1 386 . 15 1 1 A 37 37 ASP N N 37 119.092 118.432 0.660 1
1 387 . 15 1 1 A 37 37 ASP H H 37 7.997 8.226 -0.229 1
1 388 . 15 1 1 A 37 37 ASP CA C 37 57.105 56.989 0.116 1
1 389 . 15 1 1 A 37 37 ASP HA H 37 4.392 4.459 -0.067 1
1 390 . 15 1 1 A 37 37 ASP CB C 37 40.808 40.692 0.116 1
1 393 . 15 1 1 A 37 37 ASP C C 37 177.292 177.997 -0.705 1
1 394 . 15 1 1 A 38 38 TYR N N 38 121.825 120.929 0.896 1
1 395 . 15 1 1 A 38 38 TYR H H 38 7.648 8.562 -0.914 1
1 396 . 15 1 1 A 38 38 TYR CA C 38 60.838 61.265 -0.427 1
1 397 . 15 1 1 A 38 38 TYR HA H 38 4.046 4.194 -0.148 1
1 398 . 15 1 1 A 38 38 TYR CB C 38 39.411 38.685 0.726 1
1 409 . 15 1 1 A 38 38 TYR C C 38 177.306 177.313 -0.007 1
1 410 . 15 1 1 A 39 39 VAL N N 39 118.437 119.005 -0.568 1
1 411 . 15 1 1 A 39 39 VAL H H 39 8.306 8.452 -0.146 1
1 412 . 15 1 1 A 39 39 VAL CA C 39 65.398 65.813 -0.415 1
1 413 . 15 1 1 A 39 39 VAL HA H 39 3.707 3.947 -0.240 1
1 414 . 15 1 1 A 39 39 VAL CB C 39 32.833 32.108 0.725 1
1 424 . 15 1 1 A 39 39 VAL C C 39 177.244 177.044 0.200 1
1 425 . 15 1 1 A 40 40 GLY N N 40 105.738 109.243 -3.505 1
1 426 . 15 1 1 A 40 40 GLY H H 40 8.117 7.879 0.238 1
1 427 . 15 1 1 A 40 40 GLY CA C 40 45.890 46.483 -0.593 1
1 428 . 15 1 1 A 40 40 GLY HA2 H 40 3.896 3.904 -0.008 1
1 429 . 15 1 1 A 40 40 GLY HA3 H 40 3.694 3.912 -0.218 1
1 430 . 15 1 1 A 40 40 GLY C C 40 173.930 175.229 -1.299 1
1 431 . 15 1 1 A 41 41 ASN N N 41 116.713 120.460 -3.747 1
1 432 . 15 1 1 A 41 41 ASN H H 41 8.620 9.073 -0.453 1
1 433 . 15 1 1 A 41 41 ASN CA C 41 54.192 54.485 -0.293 1
1 434 . 15 1 1 A 41 41 ASN HA H 41 4.253 4.306 -0.053 1
1 435 . 15 1 1 A 41 41 ASN CB C 41 38.370 36.852 1.518 1
1 441 . 15 1 1 A 41 41 ASN C C 41 173.935 174.527 -0.592 1
1 442 . 15 1 1 A 42 42 ALA N N 42 115.074 113.349 1.725 1
1 443 . 15 1 1 A 42 42 ALA H H 42 8.425 8.228 0.197 1
1 444 . 15 1 1 A 42 42 ALA CA C 42 52.968 53.473 -0.505 1
1 445 . 15 1 1 A 42 42 ALA HA H 42 3.876 3.843 0.033 1
1 446 . 15 1 1 A 42 42 ALA CB C 42 17.871 17.702 0.169 1
1 450 . 15 1 1 A 42 42 ALA C C 42 177.531 176.128 1.403 1
1 451 . 15 1 1 A 43 43 ARG N N 43 119.427 116.282 3.145 1
1 452 . 15 1 1 A 43 43 ARG H H 43 7.773 7.429 0.344 1
1 453 . 15 1 1 A 43 43 ARG CA C 43 54.411 54.040 0.371 1
1 454 . 15 1 1 A 43 43 ARG HA H 43 4.447 4.881 -0.434 1
1 455 . 15 1 1 A 43 43 ARG CB C 43 30.954 33.546 -2.592 1
1 466 . 15 1 1 A 43 43 ARG C C 43 177.734 175.178 2.556 1
1 467 . 15 1 1 A 44 44 THR N N 44 113.165 111.282 1.883 1
1 468 . 15 1 1 A 44 44 THR H H 44 8.918 8.585 0.333 1
1 469 . 15 1 1 A 44 44 THR CA C 44 60.337 60.605 -0.268 1
1 470 . 15 1 1 A 44 44 THR HA H 44 4.625 4.824 -0.199 1
1 471 . 15 1 1 A 44 44 THR CB C 44 72.316 71.335 0.981 1
1 477 . 15 1 1 A 44 44 THR C C 44 177.134 174.864 2.270 1
1 478 . 15 1 1 A 45 45 LYS N N 45 121.142 119.037 2.105 1
1 479 . 15 1 1 A 45 45 LYS H H 45 9.432 8.912 0.520 1
1 480 . 15 1 1 A 45 45 LYS CA C 45 59.938 59.057 0.881 1
1 481 . 15 1 1 A 45 45 LYS HA H 45 4.137 4.136 0.001 1
1 482 . 15 1 1 A 45 45 LYS CB C 45 32.188 32.476 -0.288 1
1 494 . 15 1 1 A 45 45 LYS C C 45 177.330 178.537 -1.207 1
1 495 . 15 1 1 A 46 46 GLU N N 46 120.446 119.626 0.820 1
1 496 . 15 1 1 A 46 46 GLU H H 46 8.577 8.251 0.326 1
1 497 . 15 1 1 A 46 46 GLU CA C 46 61.051 59.065 1.986 1
1 498 . 15 1 1 A 46 46 GLU HA H 46 3.716 3.983 -0.267 1
1 499 . 15 1 1 A 46 46 GLU CB C 46 28.270 29.389 -1.119 1
1 505 . 15 1 1 A 46 46 GLU C C 46 178.200 178.970 -0.770 1
1 506 . 15 1 1 A 47 47 GLU N N 47 119.411 119.449 -0.038 1
1 507 . 15 1 1 A 47 47 GLU H H 47 7.874 7.465 0.409 1
1 508 . 15 1 1 A 47 47 GLU CA C 47 59.209 59.051 0.158 1
1 509 . 15 1 1 A 47 47 GLU HA H 47 4.139 4.199 -0.060 1
1 510 . 15 1 1 A 47 47 GLU CB C 47 30.970 30.248 0.722 1
1 516 . 15 1 1 A 47 47 GLU C C 47 180.380 179.037 1.343 1
1 517 . 15 1 1 A 48 48 CYS N N 48 117.778 119.064 -1.286 1
1 518 . 15 1 1 A 48 48 CYS H H 48 8.354 8.596 -0.242 1
1 519 . 15 1 1 A 48 48 CYS CA C 48 65.002 63.465 1.537 1
1 520 . 15 1 1 A 48 48 CYS HA H 48 4.331 4.489 -0.158 1
1 521 . 15 1 1 A 48 48 CYS CB C 48 27.262 27.517 -0.255 1
1 524 . 15 1 1 A 48 48 CYS C C 48 174.443 176.909 -2.466 1
1 525 . 15 1 1 A 49 49 ARG N N 49 121.012 120.767 0.245 1
1 526 . 15 1 1 A 49 49 ARG H H 49 7.364 7.564 -0.200 1
1 527 . 15 1 1 A 49 49 ARG CA C 49 58.352 58.327 0.025 1
1 528 . 15 1 1 A 49 49 ARG HA H 49 1.940 1.494 0.446 1
1 529 . 15 1 1 A 49 49 ARG CB C 49 29.691 29.256 0.435 1
1 538 . 15 1 1 A 49 49 ARG C C 49 177.306 177.887 -0.581 1
1 539 . 15 1 1 A 50 50 ASP N N 50 116.931 118.028 -1.097 1
1 540 . 15 1 1 A 50 50 ASP H H 50 8.183 8.067 0.116 1
1 541 . 15 1 1 A 50 50 ASP CA C 50 57.267 57.187 0.080 1
1 542 . 15 1 1 A 50 50 ASP HA H 50 4.170 4.179 -0.009 1
1 543 . 15 1 1 A 50 50 ASP CB C 50 40.569 40.543 0.026 1
1 546 . 15 1 1 A 50 50 ASP C C 50 178.695 178.915 -0.220 1
1 547 . 15 1 1 A 51 51 HIS N N 51 116.759 120.709 -3.950 1
1 548 . 15 1 1 A 51 51 HIS H H 51 8.276 8.454 -0.178 1
1 549 . 15 1 1 A 51 51 HIS CA C 51 59.374 59.025 0.349 1
1 550 . 15 1 1 A 51 51 HIS HA H 51 3.986 4.213 -0.227 1
1 551 . 15 1 1 A 51 51 HIS CB C 51 28.534 29.593 -1.059 1
1 558 . 15 1 1 A 51 51 HIS C C 51 177.514 176.687 0.827 1
1 559 . 15 1 1 A 52 52 TYR N N 52 121.013 120.006 1.007 1
1 560 . 15 1 1 A 52 52 TYR H H 52 8.364 7.663 0.701 1
1 561 . 15 1 1 A 52 52 TYR CA C 52 62.363 61.211 1.152 1
1 562 . 15 1 1 A 52 52 TYR HA H 52 3.951 3.961 -0.010 1
1 563 . 15 1 1 A 52 52 TYR CB C 52 39.610 38.347 1.263 1
1 574 . 15 1 1 A 52 52 TYR C C 52 177.492 177.297 0.195 1
1 575 . 15 1 1 A 53 53 LEU N N 53 117.616 119.416 -1.800 1
1 576 . 15 1 1 A 53 53 LEU H H 53 8.354 7.775 0.579 1
1 577 . 15 1 1 A 53 53 LEU CA C 53 57.261 56.574 0.687 1
1 578 . 15 1 1 A 53 53 LEU HA H 53 3.985 4.279 -0.294 1
1 579 . 15 1 1 A 53 53 LEU CB C 53 41.403 41.822 -0.419 1
1 592 . 15 1 1 A 53 53 LEU C C 53 178.921 177.665 1.256 1
1 593 . 15 1 1 A 54 54 LYS N N 54 116.037 116.731 -0.694 1
1 594 . 15 1 1 A 54 54 LYS H H 54 7.468 7.717 -0.249 1
1 595 . 15 1 1 A 54 54 LYS CA C 54 57.859 57.298 0.561 1
1 596 . 15 1 1 A 54 54 LYS HA H 54 4.006 4.442 -0.436 1
1 597 . 15 1 1 A 54 54 LYS CB C 54 32.668 33.969 -1.301 1
1 609 . 15 1 1 A 54 54 LYS C C 54 177.318 178.450 -1.132 1
1 610 . 15 1 1 A 55 55 THR N N 55 111.885 116.464 -4.579 1
1 611 . 15 1 1 A 55 55 THR H H 55 7.259 7.959 -0.700 1
1 612 . 15 1 1 A 55 55 THR CA C 55 63.882 66.084 -2.202 1
1 613 . 15 1 1 A 55 55 THR HA H 55 3.864 3.881 -0.017 1
1 614 . 15 1 1 A 55 55 THR CB C 55 69.759 68.732 1.027 1
1 620 . 15 1 1 A 55 55 THR C C 55 174.423 175.983 -1.560 1
1 621 . 15 1 1 A 56 56 TYR N N 56 120.015 119.184 0.831 1
1 622 . 15 1 1 A 56 56 TYR H H 56 7.767 7.769 -0.002 1
1 623 . 15 1 1 A 56 56 TYR CA C 56 58.699 60.706 -2.007 1
1 624 . 15 1 1 A 56 56 TYR HA H 56 4.388 4.159 0.229 1
1 625 . 15 1 1 A 56 56 TYR CB C 56 38.568 38.080 0.488 1
1 636 . 15 1 1 A 56 56 TYR C C 56 175.031 178.148 -3.117 1
1 637 . 15 1 1 A 57 57 ILE N N 57 121.611 119.835 1.776 1
1 638 . 15 1 1 A 57 57 ILE H H 57 7.376 7.934 -0.558 1
1 639 . 15 1 1 A 57 57 ILE CA C 57 60.560 65.398 -4.838 1
1 640 . 15 1 1 A 57 57 ILE HA H 57 4.155 3.719 0.436 1
1 641 . 15 1 1 A 57 57 ILE CB C 57 38.585 38.163 0.422 1
1 654 . 15 1 1 A 57 57 ILE C C 57 175.122 177.463 -2.341 1
1 1 . 16 1 1 A 3 3 SER CA C 3 58.574 60.198 -1.624 1
1 2 . 16 1 1 A 3 3 SER HA H 3 4.477 4.284 0.193 1
1 3 . 16 1 1 A 3 3 SER CB C 3 63.686 63.769 -0.083 1
1 5 . 16 1 1 A 3 3 SER C C 3 175.067 174.664 0.403 1
1 6 . 16 1 1 A 4 4 GLY N N 4 111.014 107.861 3.153 1
1 7 . 16 1 1 A 4 4 GLY H H 4 8.466 7.438 1.028 1
1 8 . 16 1 1 A 4 4 GLY CA C 4 45.338 45.654 -0.316 1
1 9 . 16 1 1 A 4 4 GLY HA2 H 4 4.006 4.125 -0.119 1
1 10 . 16 1 1 A 4 4 GLY C C 4 174.344 172.615 1.729 1
1 11 . 16 1 1 A 5 5 SER N N 5 115.891 117.006 -1.115 1
1 12 . 16 1 1 A 5 5 SER H H 5 8.294 8.741 -0.447 1
1 13 . 16 1 1 A 5 5 SER CA C 5 58.277 57.567 0.710 1
1 14 . 16 1 1 A 5 5 SER HA H 5 4.499 5.124 -0.625 1
1 15 . 16 1 1 A 5 5 SER CB C 5 63.850 67.449 -3.599 1
1 17 . 16 1 1 A 5 5 SER C C 5 174.840 172.891 1.949 1
1 18 . 16 1 1 A 6 6 SER N N 6 117.946 115.266 2.680 1
1 19 . 16 1 1 A 6 6 SER H H 6 8.479 8.946 -0.467 1
1 20 . 16 1 1 A 6 6 SER CA C 6 58.632 56.584 2.048 1
1 21 . 16 1 1 A 6 6 SER HA H 6 4.427 5.212 -0.785 1
1 22 . 16 1 1 A 6 6 SER CB C 6 63.855 66.372 -2.517 1
1 24 . 16 1 1 A 6 6 SER C C 6 174.852 173.976 0.876 1
1 25 . 16 1 1 A 7 7 GLY N N 7 110.490 107.988 2.502 1
1 26 . 16 1 1 A 7 7 GLY H H 7 8.354 8.653 -0.299 1
1 27 . 16 1 1 A 7 7 GLY CA C 7 45.231 43.820 1.411 1
1 28 . 16 1 1 A 7 7 GLY HA2 H 7 3.836 4.066 -0.230 1
1 29 . 16 1 1 A 7 7 GLY HA3 H 7 3.898 4.243 -0.345 1
1 30 . 16 1 1 A 7 7 GLY C C 7 173.829 174.555 -0.726 1
1 31 . 16 1 1 A 8 8 PHE N N 8 119.865 117.317 2.548 1
1 32 . 16 1 1 A 8 8 PHE H H 8 8.094 7.797 0.297 1
1 33 . 16 1 1 A 8 8 PHE CA C 8 57.501 57.363 0.138 1
1 34 . 16 1 1 A 8 8 PHE HA H 8 4.666 4.704 -0.038 1
1 35 . 16 1 1 A 8 8 PHE CB C 8 39.743 40.174 -0.431 1
1 48 . 16 1 1 A 8 8 PHE C C 8 175.564 175.256 0.308 1
1 49 . 16 1 1 A 9 9 ASP N N 9 122.084 118.447 3.637 1
1 50 . 16 1 1 A 9 9 ASP H H 9 8.516 7.015 1.501 1
1 51 . 16 1 1 A 9 9 ASP CA C 9 54.372 52.629 1.743 1
1 52 . 16 1 1 A 9 9 ASP HA H 9 4.599 4.863 -0.264 1
1 53 . 16 1 1 A 9 9 ASP CB C 9 41.429 40.507 0.922 1
1 56 . 16 1 1 A 9 9 ASP C C 9 176.168 175.966 0.202 1
1 57 . 16 1 1 A 10 10 GLU N N 10 121.747 124.316 -2.569 1
1 58 . 16 1 1 A 10 10 GLU H H 10 8.489 8.744 -0.255 1
1 59 . 16 1 1 A 10 10 GLU CA C 10 56.705 58.402 -1.697 1
1 60 . 16 1 1 A 10 10 GLU HA H 10 4.359 4.207 0.152 1
1 61 . 16 1 1 A 10 10 GLU CB C 10 30.039 29.344 0.695 1
1 67 . 16 1 1 A 10 10 GLU C C 10 176.584 178.057 -1.473 1
1 68 . 16 1 1 A 11 11 ASN N N 11 119.867 117.514 2.353 1
1 69 . 16 1 1 A 11 11 ASN H H 11 8.479 8.019 0.460 1
1 70 . 16 1 1 A 11 11 ASN CA C 11 53.332 55.561 -2.229 1
1 71 . 16 1 1 A 11 11 ASN HA H 11 4.791 4.698 0.093 1
1 72 . 16 1 1 A 11 11 ASN CB C 11 38.906 39.647 -0.741 1
1 78 . 16 1 1 A 11 11 ASN C C 11 175.284 174.801 0.483 1
1 79 . 16 1 1 A 12 12 TRP N N 12 124.246 116.597 7.649 1
1 80 . 16 1 1 A 12 12 TRP H H 12 8.819 8.063 0.756 1
1 81 . 16 1 1 A 12 12 TRP CA C 12 57.447 55.499 1.948 1
1 82 . 16 1 1 A 12 12 TRP HA H 12 4.338 4.965 -0.627 1
1 83 . 16 1 1 A 12 12 TRP CB C 12 29.096 32.149 -3.053 1
1 98 . 16 1 1 A 12 12 TRP C C 12 177.403 176.489 0.914 1
1 99 . 16 1 1 A 13 13 GLY N N 13 112.578 108.424 4.154 1
1 100 . 16 1 1 A 13 13 GLY H H 13 9.662 8.786 0.876 1
1 101 . 16 1 1 A 13 13 GLY CA C 13 44.383 44.153 0.230 1
1 102 . 16 1 1 A 13 13 GLY HA2 H 13 4.315 4.293 0.022 1
1 103 . 16 1 1 A 13 13 GLY HA3 H 13 3.989 4.293 -0.304 1
1 104 . 16 1 1 A 13 13 GLY C C 13 174.443 174.896 -0.453 1
1 105 . 16 1 1 A 14 14 ALA N N 14 124.409 124.030 0.379 1
1 106 . 16 1 1 A 14 14 ALA H H 14 8.805 9.012 -0.207 1
1 107 . 16 1 1 A 14 14 ALA CA C 14 55.635 54.708 0.927 1
1 108 . 16 1 1 A 14 14 ALA HA H 14 4.225 4.041 0.184 1
1 109 . 16 1 1 A 14 14 ALA CB C 14 18.565 18.275 0.290 1
1 113 . 16 1 1 A 14 14 ALA C C 14 180.546 179.584 0.962 1
1 114 . 16 1 1 A 15 15 ASP N N 15 115.685 118.575 -2.890 1
1 115 . 16 1 1 A 15 15 ASP H H 15 8.825 8.202 0.623 1
1 116 . 16 1 1 A 15 15 ASP CA C 15 56.775 57.367 -0.592 1
1 117 . 16 1 1 A 15 15 ASP HA H 15 4.416 4.391 0.025 1
1 118 . 16 1 1 A 15 15 ASP CB C 15 39.188 40.534 -1.346 1
1 121 . 16 1 1 A 15 15 ASP C C 15 178.981 178.696 0.285 1
1 122 . 16 1 1 A 16 16 GLU N N 16 121.445 117.601 3.844 1
1 123 . 16 1 1 A 16 16 GLU H H 16 7.772 8.464 -0.692 1
1 124 . 16 1 1 A 16 16 GLU CA C 16 59.380 58.595 0.785 1
1 125 . 16 1 1 A 16 16 GLU HA H 16 4.203 4.169 0.034 1
1 126 . 16 1 1 A 16 16 GLU CB C 16 30.556 28.419 2.137 1
1 132 . 16 1 1 A 16 16 GLU C C 16 178.517 178.627 -0.110 1
1 133 . 16 1 1 A 17 17 GLU N N 17 118.709 119.703 -0.994 1
1 134 . 16 1 1 A 17 17 GLU H H 17 8.363 8.363 0.000 1
1 135 . 16 1 1 A 17 17 GLU CA C 17 59.820 59.149 0.671 1
1 136 . 16 1 1 A 17 17 GLU HA H 17 4.429 4.521 -0.092 1
1 137 . 16 1 1 A 17 17 GLU CB C 17 29.774 30.184 -0.410 1
1 143 . 16 1 1 A 17 17 GLU C C 17 179.029 179.020 0.009 1
1 144 . 16 1 1 A 18 18 LEU N N 18 118.004 122.136 -4.132 1
1 145 . 16 1 1 A 18 18 LEU H H 18 7.650 8.262 -0.612 1
1 146 . 16 1 1 A 18 18 LEU CA C 18 58.128 58.209 -0.081 1
1 147 . 16 1 1 A 18 18 LEU HA H 18 4.212 4.191 0.021 1
1 148 . 16 1 1 A 18 18 LEU CB C 18 41.700 41.808 -0.108 1
1 161 . 16 1 1 A 18 18 LEU C C 18 179.871 178.505 1.366 1
1 162 . 16 1 1 A 19 19 LEU N N 19 119.600 118.720 0.880 1
1 163 . 16 1 1 A 19 19 LEU H H 19 7.783 8.136 -0.353 1
1 164 . 16 1 1 A 19 19 LEU CA C 19 58.106 58.255 -0.149 1
1 165 . 16 1 1 A 19 19 LEU HA H 19 4.390 4.107 0.283 1
1 166 . 16 1 1 A 19 19 LEU CB C 19 43.169 42.118 1.051 1
1 179 . 16 1 1 A 19 19 LEU C C 19 178.634 179.119 -0.485 1
1 180 . 16 1 1 A 20 20 LEU N N 20 120.243 119.730 0.513 1
1 181 . 16 1 1 A 20 20 LEU H H 20 8.364 7.866 0.498 1
1 182 . 16 1 1 A 20 20 LEU CA C 20 58.390 58.941 -0.551 1
1 183 . 16 1 1 A 20 20 LEU HA H 20 4.083 4.194 -0.111 1
1 184 . 16 1 1 A 20 20 LEU CB C 20 42.005 42.424 -0.419 1
1 197 . 16 1 1 A 20 20 LEU C C 20 178.135 178.379 -0.244 1
1 198 . 16 1 1 A 21 21 ILE N N 21 119.379 120.025 -0.646 1
1 199 . 16 1 1 A 21 21 ILE H H 21 8.133 7.906 0.227 1
1 200 . 16 1 1 A 21 21 ILE CA C 21 64.962 65.816 -0.854 1
1 201 . 16 1 1 A 21 21 ILE HA H 21 3.685 3.608 0.077 1
1 202 . 16 1 1 A 21 21 ILE CB C 21 37.895 38.288 -0.393 1
1 215 . 16 1 1 A 21 21 ILE C C 21 178.423 177.689 0.734 1
1 216 . 16 1 1 A 22 22 ASP N N 22 120.464 120.548 -0.084 1
1 217 . 16 1 1 A 22 22 ASP H H 22 8.203 8.733 -0.530 1
1 218 . 16 1 1 A 22 22 ASP CA C 22 57.332 57.636 -0.304 1
1 219 . 16 1 1 A 22 22 ASP HA H 22 4.400 4.341 0.059 1
1 220 . 16 1 1 A 22 22 ASP CB C 22 41.023 40.517 0.506 1
1 223 . 16 1 1 A 22 22 ASP C C 22 179.117 178.896 0.221 1
1 224 . 16 1 1 A 23 23 ALA N N 23 123.634 122.250 1.384 1
1 225 . 16 1 1 A 23 23 ALA H H 23 8.819 8.327 0.492 1
1 226 . 16 1 1 A 23 23 ALA CA C 23 55.058 54.754 0.304 1
1 227 . 16 1 1 A 23 23 ALA HA H 23 3.050 3.703 -0.653 1
1 228 . 16 1 1 A 23 23 ALA CB C 23 20.405 18.341 2.064 1
1 232 . 16 1 1 A 23 23 ALA C C 23 179.042 179.474 -0.432 1
1 233 . 16 1 1 A 24 24 CYS N N 24 115.941 116.303 -0.362 1
1 234 . 16 1 1 A 24 24 CYS H H 24 8.227 8.221 0.006 1
1 235 . 16 1 1 A 24 24 CYS CA C 24 63.657 63.061 0.596 1
1 236 . 16 1 1 A 24 24 CYS HA H 24 3.524 3.810 -0.286 1
1 237 . 16 1 1 A 24 24 CYS CB C 24 27.165 26.906 0.259 1
1 240 . 16 1 1 A 24 24 CYS C C 24 177.855 176.541 1.314 1
1 241 . 16 1 1 A 25 25 GLU N N 25 118.624 118.799 -0.175 1
1 242 . 16 1 1 A 25 25 GLU H H 25 8.262 7.725 0.537 1
1 243 . 16 1 1 A 25 25 GLU CA C 25 58.829 58.094 0.735 1
1 244 . 16 1 1 A 25 25 GLU HA H 25 3.974 4.213 -0.239 1
1 245 . 16 1 1 A 25 25 GLU CB C 25 29.896 30.069 -0.173 1
1 251 . 16 1 1 A 25 25 GLU C C 25 178.082 179.010 -0.928 1
1 252 . 16 1 1 A 26 26 THR N N 26 113.708 117.752 -4.044 1
1 253 . 16 1 1 A 26 26 THR H H 26 8.046 8.051 -0.005 1
1 254 . 16 1 1 A 26 26 THR CA C 26 65.448 66.110 -0.662 1
1 255 . 16 1 1 A 26 26 THR HA H 26 4.003 3.917 0.086 1
1 256 . 16 1 1 A 26 26 THR CB C 26 69.475 68.679 0.796 1
1 262 . 16 1 1 A 26 26 THR C C 26 175.986 176.183 -0.197 1
1 263 . 16 1 1 A 27 27 LEU N N 27 119.789 118.708 1.081 1
1 264 . 16 1 1 A 27 27 LEU H H 27 8.609 7.704 0.905 1
1 265 . 16 1 1 A 27 27 LEU CA C 27 55.566 56.547 -0.981 1
1 266 . 16 1 1 A 27 27 LEU HA H 27 4.238 3.928 0.310 1
1 267 . 16 1 1 A 27 27 LEU CB C 27 42.130 42.543 -0.413 1
1 280 . 16 1 1 A 27 27 LEU C C 27 179.075 177.415 1.660 1
1 281 . 16 1 1 A 28 28 GLY N N 28 107.009 106.015 0.994 1
1 282 . 16 1 1 A 28 28 GLY H H 28 6.965 7.984 -1.019 1
1 283 . 16 1 1 A 28 28 GLY CA C 28 44.545 44.399 0.146 1
1 284 . 16 1 1 A 28 28 GLY HA2 H 28 4.057 3.895 0.162 1
1 285 . 16 1 1 A 28 28 GLY HA3 H 28 3.664 3.919 -0.255 1
1 286 . 16 1 1 A 28 28 GLY C C 28 173.046 174.830 -1.784 1
1 287 . 16 1 1 A 29 29 LEU N N 29 117.364 121.809 -4.445 1
1 288 . 16 1 1 A 29 29 LEU H H 29 7.960 8.504 -0.544 1
1 289 . 16 1 1 A 29 29 LEU CA C 29 54.626 57.288 -2.662 1
1 290 . 16 1 1 A 29 29 LEU HA H 29 3.487 3.267 0.220 1
1 291 . 16 1 1 A 29 29 LEU CB C 29 40.949 40.779 0.170 1
1 304 . 16 1 1 A 29 29 LEU C C 29 177.460 178.838 -1.378 1
1 305 . 16 1 1 A 30 30 GLY N N 30 106.469 106.436 0.033 1
1 306 . 16 1 1 A 30 30 GLY H H 30 7.503 7.973 -0.470 1
1 307 . 16 1 1 A 30 30 GLY CA C 30 46.003 47.021 -1.018 1
1 308 . 16 1 1 A 30 30 GLY HA2 H 30 3.781 3.747 0.034 1
1 309 . 16 1 1 A 30 30 GLY HA3 H 30 3.638 3.767 -0.129 1
1 310 . 16 1 1 A 30 30 GLY C C 30 174.269 174.397 -0.128 1
1 311 . 16 1 1 A 31 31 ASN N N 31 117.981 116.634 1.347 1
1 312 . 16 1 1 A 31 31 ASN H H 31 7.643 7.758 -0.115 1
1 313 . 16 1 1 A 31 31 ASN CA C 31 52.135 51.813 0.322 1
1 314 . 16 1 1 A 31 31 ASN HA H 31 4.899 4.909 -0.010 1
1 315 . 16 1 1 A 31 31 ASN CB C 31 38.492 39.330 -0.838 1
1 321 . 16 1 1 A 31 31 ASN C C 31 176.436 175.163 1.273 1
1 322 . 16 1 1 A 32 32 TRP N N 32 124.932 124.424 0.508 1
1 323 . 16 1 1 A 32 32 TRP H H 32 8.638 8.344 0.294 1
1 324 . 16 1 1 A 32 32 TRP CA C 32 60.578 59.819 0.759 1
1 325 . 16 1 1 A 32 32 TRP HA H 32 4.257 4.337 -0.080 1
1 326 . 16 1 1 A 32 32 TRP CB C 32 29.185 29.273 -0.088 1
1 341 . 16 1 1 A 32 32 TRP C C 32 177.477 178.673 -1.196 1
1 342 . 16 1 1 A 33 33 ALA N N 33 123.791 122.072 1.719 1
1 343 . 16 1 1 A 33 33 ALA H H 33 8.522 7.833 0.689 1
1 344 . 16 1 1 A 33 33 ALA CA C 33 55.609 55.349 0.260 1
1 345 . 16 1 1 A 33 33 ALA HA H 33 4.245 4.153 0.092 1
1 346 . 16 1 1 A 33 33 ALA CB C 33 17.931 18.505 -0.574 1
1 350 . 16 1 1 A 33 33 ALA C C 33 179.868 179.514 0.354 1
1 351 . 16 1 1 A 34 34 ASP N N 34 118.553 118.090 0.463 1
1 352 . 16 1 1 A 34 34 ASP H H 34 7.463 7.915 -0.452 1
1 353 . 16 1 1 A 34 34 ASP CA C 34 56.937 57.243 -0.306 1
1 354 . 16 1 1 A 34 34 ASP HA H 34 4.378 4.515 -0.137 1
1 355 . 16 1 1 A 34 34 ASP CB C 34 40.089 41.030 -0.941 1
1 358 . 16 1 1 A 34 34 ASP C C 34 179.385 178.879 0.506 1
1 359 . 16 1 1 A 35 35 ILE N N 35 121.343 119.978 1.365 1
1 360 . 16 1 1 A 35 35 ILE H H 35 7.308 7.629 -0.321 1
1 361 . 16 1 1 A 35 35 ILE CA C 35 64.900 64.838 0.062 1
1 362 . 16 1 1 A 35 35 ILE HA H 35 3.528 4.232 -0.704 1
1 363 . 16 1 1 A 35 35 ILE CB C 35 37.842 37.145 0.697 1
1 376 . 16 1 1 A 35 35 ILE C C 35 176.832 178.188 -1.356 1
1 377 . 16 1 1 A 36 36 ALA N N 36 122.328 122.289 0.039 1
1 378 . 16 1 1 A 36 36 ALA H H 36 8.446 8.920 -0.474 1
1 379 . 16 1 1 A 36 36 ALA CA C 36 55.724 56.010 -0.286 1
1 380 . 16 1 1 A 36 36 ALA HA H 36 4.281 4.156 0.125 1
1 381 . 16 1 1 A 36 36 ALA CB C 36 17.153 18.287 -1.134 1
1 385 . 16 1 1 A 36 36 ALA C C 36 181.002 179.216 1.786 1
1 386 . 16 1 1 A 37 37 ASP N N 37 119.092 118.525 0.567 1
1 387 . 16 1 1 A 37 37 ASP H H 37 7.997 7.777 0.220 1
1 388 . 16 1 1 A 37 37 ASP CA C 37 57.105 57.029 0.076 1
1 389 . 16 1 1 A 37 37 ASP HA H 37 4.392 4.449 -0.057 1
1 390 . 16 1 1 A 37 37 ASP CB C 37 40.808 41.232 -0.424 1
1 393 . 16 1 1 A 37 37 ASP C C 37 177.292 177.996 -0.704 1
1 394 . 16 1 1 A 38 38 TYR N N 38 121.825 121.004 0.821 1
1 395 . 16 1 1 A 38 38 TYR H H 38 7.648 7.916 -0.268 1
1 396 . 16 1 1 A 38 38 TYR CA C 38 60.838 60.911 -0.073 1
1 397 . 16 1 1 A 38 38 TYR HA H 38 4.046 4.191 -0.145 1
1 398 . 16 1 1 A 38 38 TYR CB C 38 39.411 38.761 0.650 1
1 409 . 16 1 1 A 38 38 TYR C C 38 177.306 177.170 0.136 1
1 410 . 16 1 1 A 39 39 VAL N N 39 118.437 118.928 -0.491 1
1 411 . 16 1 1 A 39 39 VAL H H 39 8.306 8.486 -0.180 1
1 412 . 16 1 1 A 39 39 VAL CA C 39 65.398 65.016 0.382 1
1 413 . 16 1 1 A 39 39 VAL HA H 39 3.707 3.930 -0.223 1
1 414 . 16 1 1 A 39 39 VAL CB C 39 32.833 32.047 0.786 1
1 424 . 16 1 1 A 39 39 VAL C C 39 177.244 177.026 0.218 1
1 425 . 16 1 1 A 40 40 GLY N N 40 105.738 109.265 -3.527 1
1 426 . 16 1 1 A 40 40 GLY H H 40 8.117 7.985 0.132 1
1 427 . 16 1 1 A 40 40 GLY CA C 40 45.890 46.433 -0.543 1
1 428 . 16 1 1 A 40 40 GLY HA2 H 40 3.896 3.870 0.026 1
1 429 . 16 1 1 A 40 40 GLY HA3 H 40 3.694 3.881 -0.187 1
1 430 . 16 1 1 A 40 40 GLY C C 40 173.930 175.173 -1.243 1
1 431 . 16 1 1 A 41 41 ASN N N 41 116.713 119.754 -3.041 1
1 432 . 16 1 1 A 41 41 ASN H H 41 8.620 9.052 -0.432 1
1 433 . 16 1 1 A 41 41 ASN CA C 41 54.192 54.464 -0.272 1
1 434 . 16 1 1 A 41 41 ASN HA H 41 4.253 4.282 -0.029 1
1 435 . 16 1 1 A 41 41 ASN CB C 41 38.370 36.783 1.587 1
1 441 . 16 1 1 A 41 41 ASN C C 41 173.935 174.507 -0.572 1
1 442 . 16 1 1 A 42 42 ALA N N 42 115.074 113.244 1.830 1
1 443 . 16 1 1 A 42 42 ALA H H 42 8.425 8.204 0.221 1
1 444 . 16 1 1 A 42 42 ALA CA C 42 52.968 53.467 -0.499 1
1 445 . 16 1 1 A 42 42 ALA HA H 42 3.876 3.832 0.044 1
1 446 . 16 1 1 A 42 42 ALA CB C 42 17.871 17.651 0.220 1
1 450 . 16 1 1 A 42 42 ALA C C 42 177.531 176.110 1.421 1
1 451 . 16 1 1 A 43 43 ARG N N 43 119.427 116.293 3.134 1
1 452 . 16 1 1 A 43 43 ARG H H 43 7.773 7.411 0.362 1
1 453 . 16 1 1 A 43 43 ARG CA C 43 54.411 53.973 0.438 1
1 454 . 16 1 1 A 43 43 ARG HA H 43 4.447 4.914 -0.467 1
1 455 . 16 1 1 A 43 43 ARG CB C 43 30.954 33.700 -2.746 1
1 466 . 16 1 1 A 43 43 ARG C C 43 177.734 174.288 3.446 1
1 467 . 16 1 1 A 44 44 THR N N 44 113.165 113.985 -0.820 1
1 468 . 16 1 1 A 44 44 THR H H 44 8.918 8.533 0.385 1
1 469 . 16 1 1 A 44 44 THR CA C 44 60.337 60.507 -0.170 1
1 470 . 16 1 1 A 44 44 THR HA H 44 4.625 4.953 -0.328 1
1 471 . 16 1 1 A 44 44 THR CB C 44 72.316 70.074 2.242 1
1 477 . 16 1 1 A 44 44 THR C C 44 177.134 174.526 2.608 1
1 478 . 16 1 1 A 45 45 LYS N N 45 121.142 124.629 -3.487 1
1 479 . 16 1 1 A 45 45 LYS H H 45 9.432 8.830 0.602 1
1 480 . 16 1 1 A 45 45 LYS CA C 45 59.938 59.267 0.671 1
1 481 . 16 1 1 A 45 45 LYS HA H 45 4.137 4.106 0.031 1
1 482 . 16 1 1 A 45 45 LYS CB C 45 32.188 32.047 0.141 1
1 494 . 16 1 1 A 45 45 LYS C C 45 177.330 178.039 -0.709 1
1 495 . 16 1 1 A 46 46 GLU N N 46 120.446 119.605 0.841 1
1 496 . 16 1 1 A 46 46 GLU H H 46 8.577 8.731 -0.154 1
1 497 . 16 1 1 A 46 46 GLU CA C 46 61.051 59.591 1.460 1
1 498 . 16 1 1 A 46 46 GLU HA H 46 3.716 3.896 -0.180 1
1 499 . 16 1 1 A 46 46 GLU CB C 46 28.270 29.346 -1.076 1
1 505 . 16 1 1 A 46 46 GLU C C 46 178.200 179.075 -0.875 1
1 506 . 16 1 1 A 47 47 GLU N N 47 119.411 118.997 0.414 1
1 507 . 16 1 1 A 47 47 GLU H H 47 7.874 8.142 -0.268 1
1 508 . 16 1 1 A 47 47 GLU CA C 47 59.209 59.054 0.155 1
1 509 . 16 1 1 A 47 47 GLU HA H 47 4.139 4.204 -0.065 1
1 510 . 16 1 1 A 47 47 GLU CB C 47 30.970 30.279 0.691 1
1 516 . 16 1 1 A 47 47 GLU C C 47 180.380 179.004 1.376 1
1 517 . 16 1 1 A 48 48 CYS N N 48 117.778 119.095 -1.317 1
1 518 . 16 1 1 A 48 48 CYS H H 48 8.354 8.648 -0.294 1
1 519 . 16 1 1 A 48 48 CYS CA C 48 65.002 63.086 1.916 1
1 520 . 16 1 1 A 48 48 CYS HA H 48 4.331 4.459 -0.128 1
1 521 . 16 1 1 A 48 48 CYS CB C 48 27.262 27.194 0.068 1
1 524 . 16 1 1 A 48 48 CYS C C 48 174.443 177.077 -2.634 1
1 525 . 16 1 1 A 49 49 ARG N N 49 121.012 120.699 0.313 1
1 526 . 16 1 1 A 49 49 ARG H H 49 7.364 7.497 -0.133 1
1 527 . 16 1 1 A 49 49 ARG CA C 49 58.352 58.332 0.020 1
1 528 . 16 1 1 A 49 49 ARG HA H 49 1.940 1.610 0.330 1
1 529 . 16 1 1 A 49 49 ARG CB C 49 29.691 29.300 0.391 1
1 538 . 16 1 1 A 49 49 ARG C C 49 177.306 177.911 -0.605 1
1 539 . 16 1 1 A 50 50 ASP N N 50 116.931 118.044 -1.113 1
1 540 . 16 1 1 A 50 50 ASP H H 50 8.183 8.099 0.084 1
1 541 . 16 1 1 A 50 50 ASP CA C 50 57.267 57.145 0.122 1
1 542 . 16 1 1 A 50 50 ASP HA H 50 4.170 4.197 -0.027 1
1 543 . 16 1 1 A 50 50 ASP CB C 50 40.569 40.466 0.103 1
1 546 . 16 1 1 A 50 50 ASP C C 50 178.695 178.809 -0.114 1
1 547 . 16 1 1 A 51 51 HIS N N 51 116.759 120.540 -3.781 1
1 548 . 16 1 1 A 51 51 HIS H H 51 8.276 8.480 -0.204 1
1 549 . 16 1 1 A 51 51 HIS CA C 51 59.374 58.993 0.381 1
1 550 . 16 1 1 A 51 51 HIS HA H 51 3.986 4.229 -0.243 1
1 551 . 16 1 1 A 51 51 HIS CB C 51 28.534 30.081 -1.547 1
1 558 . 16 1 1 A 51 51 HIS C C 51 177.514 176.924 0.590 1
1 559 . 16 1 1 A 52 52 TYR N N 52 121.013 119.848 1.165 1
1 560 . 16 1 1 A 52 52 TYR H H 52 8.364 7.496 0.868 1
1 561 . 16 1 1 A 52 52 TYR CA C 52 62.363 60.280 2.083 1
1 562 . 16 1 1 A 52 52 TYR HA H 52 3.951 3.888 0.063 1
1 563 . 16 1 1 A 52 52 TYR CB C 52 39.610 38.846 0.764 1
1 574 . 16 1 1 A 52 52 TYR C C 52 177.492 177.256 0.236 1
1 575 . 16 1 1 A 53 53 LEU N N 53 117.616 119.513 -1.897 1
1 576 . 16 1 1 A 53 53 LEU H H 53 8.354 7.596 0.758 1
1 577 . 16 1 1 A 53 53 LEU CA C 53 57.261 56.096 1.165 1
1 578 . 16 1 1 A 53 53 LEU HA H 53 3.985 4.343 -0.358 1
1 579 . 16 1 1 A 53 53 LEU CB C 53 41.403 41.861 -0.458 1
1 592 . 16 1 1 A 53 53 LEU C C 53 178.921 177.664 1.257 1
1 593 . 16 1 1 A 54 54 LYS N N 54 116.037 116.383 -0.346 1
1 594 . 16 1 1 A 54 54 LYS H H 54 7.468 7.536 -0.068 1
1 595 . 16 1 1 A 54 54 LYS CA C 54 57.859 57.260 0.599 1
1 596 . 16 1 1 A 54 54 LYS HA H 54 4.006 4.418 -0.412 1
1 597 . 16 1 1 A 54 54 LYS CB C 54 32.668 33.644 -0.976 1
1 609 . 16 1 1 A 54 54 LYS C C 54 177.318 178.201 -0.883 1
1 610 . 16 1 1 A 55 55 THR N N 55 111.885 116.107 -4.222 1
1 611 . 16 1 1 A 55 55 THR H H 55 7.259 7.735 -0.476 1
1 612 . 16 1 1 A 55 55 THR CA C 55 63.882 65.107 -1.225 1
1 613 . 16 1 1 A 55 55 THR HA H 55 3.864 3.967 -0.103 1
1 614 . 16 1 1 A 55 55 THR CB C 55 69.759 69.046 0.713 1
1 620 . 16 1 1 A 55 55 THR C C 55 174.423 175.233 -0.810 1
1 621 . 16 1 1 A 56 56 TYR N N 56 120.015 118.144 1.871 1
1 622 . 16 1 1 A 56 56 TYR H H 56 7.767 7.474 0.293 1
1 623 . 16 1 1 A 56 56 TYR CA C 56 58.699 60.408 -1.709 1
1 624 . 16 1 1 A 56 56 TYR HA H 56 4.388 4.214 0.174 1
1 625 . 16 1 1 A 56 56 TYR CB C 56 38.568 38.535 0.033 1
1 636 . 16 1 1 A 56 56 TYR C C 56 175.031 178.086 -3.055 1
1 637 . 16 1 1 A 57 57 ILE N N 57 121.611 119.937 1.674 1
1 638 . 16 1 1 A 57 57 ILE H H 57 7.376 7.913 -0.537 1
1 639 . 16 1 1 A 57 57 ILE CA C 57 60.560 65.325 -4.765 1
1 640 . 16 1 1 A 57 57 ILE HA H 57 4.155 3.657 0.498 1
1 641 . 16 1 1 A 57 57 ILE CB C 57 38.585 38.373 0.212 1
1 654 . 16 1 1 A 57 57 ILE C C 57 175.122 177.743 -2.621 1
1 1 . 17 1 1 A 3 3 SER CA C 3 58.574 60.708 -2.134 1
1 2 . 17 1 1 A 3 3 SER HA H 3 4.477 4.064 0.413 1
1 3 . 17 1 1 A 3 3 SER CB C 3 63.686 62.901 0.785 1
1 5 . 17 1 1 A 3 3 SER C C 3 175.067 175.252 -0.185 1
1 6 . 17 1 1 A 4 4 GLY N N 4 111.014 115.102 -4.088 1
1 7 . 17 1 1 A 4 4 GLY H H 4 8.466 8.682 -0.216 1
1 8 . 17 1 1 A 4 4 GLY CA C 4 45.338 45.599 -0.261 1
1 9 . 17 1 1 A 4 4 GLY HA2 H 4 4.006 3.938 0.068 1
1 10 . 17 1 1 A 4 4 GLY C C 4 174.344 172.868 1.476 1
1 11 . 17 1 1 A 5 5 SER N N 5 115.891 115.371 0.520 1
1 12 . 17 1 1 A 5 5 SER H H 5 8.294 8.225 0.069 1
1 13 . 17 1 1 A 5 5 SER CA C 5 58.277 56.749 1.528 1
1 14 . 17 1 1 A 5 5 SER HA H 5 4.499 5.098 -0.599 1
1 15 . 17 1 1 A 5 5 SER CB C 5 63.850 66.284 -2.434 1
1 17 . 17 1 1 A 5 5 SER C C 5 174.840 174.357 0.483 1
1 18 . 17 1 1 A 6 6 SER N N 6 117.946 119.079 -1.133 1
1 19 . 17 1 1 A 6 6 SER H H 6 8.479 8.841 -0.362 1
1 20 . 17 1 1 A 6 6 SER CA C 6 58.632 61.011 -2.379 1
1 21 . 17 1 1 A 6 6 SER HA H 6 4.427 4.296 0.131 1
1 22 . 17 1 1 A 6 6 SER CB C 6 63.855 63.730 0.125 1
1 24 . 17 1 1 A 6 6 SER C C 6 174.852 175.093 -0.241 1
1 25 . 17 1 1 A 7 7 GLY N N 7 110.490 107.598 2.892 1
1 26 . 17 1 1 A 7 7 GLY H H 7 8.354 8.415 -0.061 1
1 27 . 17 1 1 A 7 7 GLY CA C 7 45.231 46.443 -1.212 1
1 28 . 17 1 1 A 7 7 GLY HA2 H 7 3.836 3.830 0.006 1
1 29 . 17 1 1 A 7 7 GLY HA3 H 7 3.898 3.922 -0.024 1
1 30 . 17 1 1 A 7 7 GLY C C 7 173.829 173.846 -0.017 1
1 31 . 17 1 1 A 8 8 PHE N N 8 119.865 118.653 1.212 1
1 32 . 17 1 1 A 8 8 PHE H H 8 8.094 7.931 0.163 1
1 33 . 17 1 1 A 8 8 PHE CA C 8 57.501 56.264 1.237 1
1 34 . 17 1 1 A 8 8 PHE HA H 8 4.666 5.024 -0.358 1
1 35 . 17 1 1 A 8 8 PHE CB C 8 39.743 43.214 -3.471 1
1 48 . 17 1 1 A 8 8 PHE C C 8 175.564 174.813 0.751 1
1 49 . 17 1 1 A 9 9 ASP N N 9 122.084 122.421 -0.337 1
1 50 . 17 1 1 A 9 9 ASP H H 9 8.516 8.830 -0.314 1
1 51 . 17 1 1 A 9 9 ASP CA C 9 54.372 54.163 0.209 1
1 52 . 17 1 1 A 9 9 ASP HA H 9 4.599 4.662 -0.063 1
1 53 . 17 1 1 A 9 9 ASP CB C 9 41.429 41.828 -0.399 1
1 56 . 17 1 1 A 9 9 ASP C C 9 176.168 177.060 -0.892 1
1 57 . 17 1 1 A 10 10 GLU N N 10 121.747 122.186 -0.439 1
1 58 . 17 1 1 A 10 10 GLU H H 10 8.489 8.959 -0.470 1
1 59 . 17 1 1 A 10 10 GLU CA C 10 56.705 57.422 -0.717 1
1 60 . 17 1 1 A 10 10 GLU HA H 10 4.359 4.146 0.213 1
1 61 . 17 1 1 A 10 10 GLU CB C 10 30.039 27.613 2.426 1
1 67 . 17 1 1 A 10 10 GLU C C 10 176.584 176.299 0.285 1
1 68 . 17 1 1 A 11 11 ASN N N 11 119.867 119.456 0.411 1
1 69 . 17 1 1 A 11 11 ASN H H 11 8.479 8.113 0.366 1
1 70 . 17 1 1 A 11 11 ASN CA C 11 53.332 51.905 1.427 1
1 71 . 17 1 1 A 11 11 ASN HA H 11 4.791 5.080 -0.289 1
1 72 . 17 1 1 A 11 11 ASN CB C 11 38.906 38.893 0.013 1
1 78 . 17 1 1 A 11 11 ASN C C 11 175.284 174.812 0.472 1
1 79 . 17 1 1 A 12 12 TRP N N 12 124.246 127.601 -3.355 1
1 80 . 17 1 1 A 12 12 TRP H H 12 8.819 9.079 -0.260 1
1 81 . 17 1 1 A 12 12 TRP CA C 12 57.447 57.572 -0.125 1
1 82 . 17 1 1 A 12 12 TRP HA H 12 4.338 4.841 -0.503 1
1 83 . 17 1 1 A 12 12 TRP CB C 12 29.096 30.470 -1.374 1
1 98 . 17 1 1 A 12 12 TRP C C 12 177.403 177.197 0.206 1
1 99 . 17 1 1 A 13 13 GLY N N 13 112.578 110.024 2.554 1
1 100 . 17 1 1 A 13 13 GLY H H 13 9.662 8.627 1.035 1
1 101 . 17 1 1 A 13 13 GLY CA C 13 44.383 44.792 -0.409 1
1 102 . 17 1 1 A 13 13 GLY HA2 H 13 4.315 4.159 0.156 1
1 103 . 17 1 1 A 13 13 GLY HA3 H 13 3.989 4.195 -0.206 1
1 104 . 17 1 1 A 13 13 GLY C C 13 174.443 174.924 -0.481 1
1 105 . 17 1 1 A 14 14 ALA N N 14 124.409 125.325 -0.916 1
1 106 . 17 1 1 A 14 14 ALA H H 14 8.805 9.188 -0.383 1
1 107 . 17 1 1 A 14 14 ALA CA C 14 55.635 55.338 0.297 1
1 108 . 17 1 1 A 14 14 ALA HA H 14 4.225 4.040 0.185 1
1 109 . 17 1 1 A 14 14 ALA CB C 14 18.565 18.412 0.153 1
1 113 . 17 1 1 A 14 14 ALA C C 14 180.546 179.525 1.021 1
1 114 . 17 1 1 A 15 15 ASP N N 15 115.685 118.583 -2.898 1
1 115 . 17 1 1 A 15 15 ASP H H 15 8.825 8.142 0.683 1
1 116 . 17 1 1 A 15 15 ASP CA C 15 56.775 57.367 -0.592 1
1 117 . 17 1 1 A 15 15 ASP HA H 15 4.416 4.396 0.020 1
1 118 . 17 1 1 A 15 15 ASP CB C 15 39.188 40.523 -1.335 1
1 121 . 17 1 1 A 15 15 ASP C C 15 178.981 178.719 0.262 1
1 122 . 17 1 1 A 16 16 GLU N N 16 121.445 117.581 3.864 1
1 123 . 17 1 1 A 16 16 GLU H H 16 7.772 8.505 -0.733 1
1 124 . 17 1 1 A 16 16 GLU CA C 16 59.380 58.547 0.833 1
1 125 . 17 1 1 A 16 16 GLU HA H 16 4.203 4.142 0.061 1
1 126 . 17 1 1 A 16 16 GLU CB C 16 30.556 28.240 2.316 1
1 132 . 17 1 1 A 16 16 GLU C C 16 178.517 178.520 -0.003 1
1 133 . 17 1 1 A 17 17 GLU N N 17 118.709 119.611 -0.902 1
1 134 . 17 1 1 A 17 17 GLU H H 17 8.363 8.567 -0.204 1
1 135 . 17 1 1 A 17 17 GLU CA C 17 59.820 59.287 0.533 1
1 136 . 17 1 1 A 17 17 GLU HA H 17 4.429 4.598 -0.169 1
1 137 . 17 1 1 A 17 17 GLU CB C 17 29.774 29.997 -0.223 1
1 143 . 17 1 1 A 17 17 GLU C C 17 179.029 179.158 -0.129 1
1 144 . 17 1 1 A 18 18 LEU N N 18 118.004 122.315 -4.311 1
1 145 . 17 1 1 A 18 18 LEU H H 18 7.650 8.259 -0.609 1
1 146 . 17 1 1 A 18 18 LEU CA C 18 58.128 57.852 0.276 1
1 147 . 17 1 1 A 18 18 LEU HA H 18 4.212 4.214 -0.002 1
1 148 . 17 1 1 A 18 18 LEU CB C 18 41.700 41.666 0.034 1
1 161 . 17 1 1 A 18 18 LEU C C 18 179.871 178.406 1.465 1
1 162 . 17 1 1 A 19 19 LEU N N 19 119.600 118.658 0.942 1
1 163 . 17 1 1 A 19 19 LEU H H 19 7.783 8.193 -0.410 1
1 164 . 17 1 1 A 19 19 LEU CA C 19 58.106 58.356 -0.250 1
1 165 . 17 1 1 A 19 19 LEU HA H 19 4.390 4.238 0.152 1
1 166 . 17 1 1 A 19 19 LEU CB C 19 43.169 41.690 1.479 1
1 179 . 17 1 1 A 19 19 LEU C C 19 178.634 179.099 -0.465 1
1 180 . 17 1 1 A 20 20 LEU N N 20 120.243 119.740 0.503 1
1 181 . 17 1 1 A 20 20 LEU H H 20 8.364 8.440 -0.076 1
1 182 . 17 1 1 A 20 20 LEU CA C 20 58.390 58.659 -0.269 1
1 183 . 17 1 1 A 20 20 LEU HA H 20 4.083 4.197 -0.114 1
1 184 . 17 1 1 A 20 20 LEU CB C 20 42.005 42.067 -0.062 1
1 197 . 17 1 1 A 20 20 LEU C C 20 178.135 178.665 -0.530 1
1 198 . 17 1 1 A 21 21 ILE N N 21 119.379 119.946 -0.567 1
1 199 . 17 1 1 A 21 21 ILE H H 21 8.133 8.360 -0.227 1
1 200 . 17 1 1 A 21 21 ILE CA C 21 64.962 65.984 -1.022 1
1 201 . 17 1 1 A 21 21 ILE HA H 21 3.685 3.629 0.056 1
1 202 . 17 1 1 A 21 21 ILE CB C 21 37.895 37.924 -0.029 1
1 215 . 17 1 1 A 21 21 ILE C C 21 178.423 177.802 0.621 1
1 216 . 17 1 1 A 22 22 ASP N N 22 120.464 120.649 -0.185 1
1 217 . 17 1 1 A 22 22 ASP H H 22 8.203 8.294 -0.091 1
1 218 . 17 1 1 A 22 22 ASP CA C 22 57.332 57.879 -0.547 1
1 219 . 17 1 1 A 22 22 ASP HA H 22 4.400 4.313 0.087 1
1 220 . 17 1 1 A 22 22 ASP CB C 22 41.023 41.477 -0.454 1
1 223 . 17 1 1 A 22 22 ASP C C 22 179.117 178.210 0.907 1
1 224 . 17 1 1 A 23 23 ALA N N 23 123.634 120.687 2.947 1
1 225 . 17 1 1 A 23 23 ALA H H 23 8.819 8.019 0.800 1
1 226 . 17 1 1 A 23 23 ALA CA C 23 55.058 54.690 0.368 1
1 227 . 17 1 1 A 23 23 ALA HA H 23 3.050 3.634 -0.584 1
1 228 . 17 1 1 A 23 23 ALA CB C 23 20.405 17.983 2.422 1
1 232 . 17 1 1 A 23 23 ALA C C 23 179.042 179.265 -0.223 1
1 233 . 17 1 1 A 24 24 CYS N N 24 115.941 118.051 -2.110 1
1 234 . 17 1 1 A 24 24 CYS H H 24 8.227 8.233 -0.006 1
1 235 . 17 1 1 A 24 24 CYS CA C 24 63.657 62.481 1.176 1
1 236 . 17 1 1 A 24 24 CYS HA H 24 3.524 3.601 -0.077 1
1 237 . 17 1 1 A 24 24 CYS CB C 24 27.165 26.634 0.531 1
1 240 . 17 1 1 A 24 24 CYS C C 24 177.855 176.328 1.527 1
1 241 . 17 1 1 A 25 25 GLU N N 25 118.624 119.293 -0.669 1
1 242 . 17 1 1 A 25 25 GLU H H 25 8.262 7.826 0.436 1
1 243 . 17 1 1 A 25 25 GLU CA C 25 58.829 58.122 0.707 1
1 244 . 17 1 1 A 25 25 GLU HA H 25 3.974 4.197 -0.223 1
1 245 . 17 1 1 A 25 25 GLU CB C 25 29.896 29.938 -0.042 1
1 251 . 17 1 1 A 25 25 GLU C C 25 178.082 178.886 -0.804 1
1 252 . 17 1 1 A 26 26 THR N N 26 113.708 117.242 -3.534 1
1 253 . 17 1 1 A 26 26 THR H H 26 8.046 8.114 -0.068 1
1 254 . 17 1 1 A 26 26 THR CA C 26 65.448 66.007 -0.559 1
1 255 . 17 1 1 A 26 26 THR HA H 26 4.003 3.955 0.048 1
1 256 . 17 1 1 A 26 26 THR CB C 26 69.475 68.711 0.764 1
1 262 . 17 1 1 A 26 26 THR C C 26 175.986 176.137 -0.151 1
1 263 . 17 1 1 A 27 27 LEU N N 27 119.789 118.297 1.492 1
1 264 . 17 1 1 A 27 27 LEU H H 27 8.609 7.667 0.942 1
1 265 . 17 1 1 A 27 27 LEU CA C 27 55.566 56.462 -0.896 1
1 266 . 17 1 1 A 27 27 LEU HA H 27 4.238 3.959 0.279 1
1 267 . 17 1 1 A 27 27 LEU CB C 27 42.130 42.501 -0.371 1
1 280 . 17 1 1 A 27 27 LEU C C 27 179.075 177.567 1.508 1
1 281 . 17 1 1 A 28 28 GLY N N 28 107.009 106.255 0.754 1
1 282 . 17 1 1 A 28 28 GLY H H 28 6.965 8.030 -1.065 1
1 283 . 17 1 1 A 28 28 GLY CA C 28 44.545 44.437 0.108 1
1 284 . 17 1 1 A 28 28 GLY HA2 H 28 4.057 3.892 0.165 1
1 285 . 17 1 1 A 28 28 GLY HA3 H 28 3.664 3.924 -0.260 1
1 286 . 17 1 1 A 28 28 GLY C C 28 173.046 175.048 -2.002 1
1 287 . 17 1 1 A 29 29 LEU N N 29 117.364 124.621 -7.257 1
1 288 . 17 1 1 A 29 29 LEU H H 29 7.960 7.953 0.007 1
1 289 . 17 1 1 A 29 29 LEU CA C 29 54.626 57.311 -2.685 1
1 290 . 17 1 1 A 29 29 LEU HA H 29 3.487 2.944 0.543 1
1 291 . 17 1 1 A 29 29 LEU CB C 29 40.949 40.740 0.209 1
1 304 . 17 1 1 A 29 29 LEU C C 29 177.460 178.480 -1.020 1
1 305 . 17 1 1 A 30 30 GLY N N 30 106.469 106.692 -0.223 1
1 306 . 17 1 1 A 30 30 GLY H H 30 7.503 8.047 -0.544 1
1 307 . 17 1 1 A 30 30 GLY CA C 30 46.003 47.207 -1.204 1
1 308 . 17 1 1 A 30 30 GLY HA2 H 30 3.781 3.628 0.153 1
1 309 . 17 1 1 A 30 30 GLY HA3 H 30 3.638 3.636 0.002 1
1 310 . 17 1 1 A 30 30 GLY C C 30 174.269 174.603 -0.334 1
1 311 . 17 1 1 A 31 31 ASN N N 31 117.981 117.096 0.885 1
1 312 . 17 1 1 A 31 31 ASN H H 31 7.643 7.746 -0.103 1
1 313 . 17 1 1 A 31 31 ASN CA C 31 52.135 51.760 0.375 1
1 314 . 17 1 1 A 31 31 ASN HA H 31 4.899 4.900 -0.001 1
1 315 . 17 1 1 A 31 31 ASN CB C 31 38.492 38.058 0.434 1
1 321 . 17 1 1 A 31 31 ASN C C 31 176.436 175.230 1.206 1
1 322 . 17 1 1 A 32 32 TRP N N 32 124.932 122.594 2.338 1
1 323 . 17 1 1 A 32 32 TRP H H 32 8.638 8.078 0.560 1
1 324 . 17 1 1 A 32 32 TRP CA C 32 60.578 60.033 0.545 1
1 325 . 17 1 1 A 32 32 TRP HA H 32 4.257 4.267 -0.010 1
1 326 . 17 1 1 A 32 32 TRP CB C 32 29.185 29.186 -0.001 1
1 341 . 17 1 1 A 32 32 TRP C C 32 177.477 178.691 -1.214 1
1 342 . 17 1 1 A 33 33 ALA N N 33 123.791 121.994 1.797 1
1 343 . 17 1 1 A 33 33 ALA H H 33 8.522 8.329 0.193 1
1 344 . 17 1 1 A 33 33 ALA CA C 33 55.609 55.359 0.250 1
1 345 . 17 1 1 A 33 33 ALA HA H 33 4.245 4.157 0.088 1
1 346 . 17 1 1 A 33 33 ALA CB C 33 17.931 18.647 -0.716 1
1 350 . 17 1 1 A 33 33 ALA C C 33 179.868 179.541 0.327 1
1 351 . 17 1 1 A 34 34 ASP N N 34 118.553 117.926 0.627 1
1 352 . 17 1 1 A 34 34 ASP H H 34 7.463 7.895 -0.432 1
1 353 . 17 1 1 A 34 34 ASP CA C 34 56.937 57.218 -0.281 1
1 354 . 17 1 1 A 34 34 ASP HA H 34 4.378 4.532 -0.154 1
1 355 . 17 1 1 A 34 34 ASP CB C 34 40.089 40.971 -0.882 1
1 358 . 17 1 1 A 34 34 ASP C C 34 179.385 178.920 0.465 1
1 359 . 17 1 1 A 35 35 ILE N N 35 121.343 120.414 0.929 1
1 360 . 17 1 1 A 35 35 ILE H H 35 7.308 7.718 -0.410 1
1 361 . 17 1 1 A 35 35 ILE CA C 35 64.900 65.540 -0.640 1
1 362 . 17 1 1 A 35 35 ILE HA H 35 3.528 3.932 -0.404 1
1 363 . 17 1 1 A 35 35 ILE CB C 35 37.842 37.542 0.300 1
1 376 . 17 1 1 A 35 35 ILE C C 35 176.832 177.900 -1.068 1
1 377 . 17 1 1 A 36 36 ALA N N 36 122.328 121.751 0.577 1
1 378 . 17 1 1 A 36 36 ALA H H 36 8.446 8.825 -0.379 1
1 379 . 17 1 1 A 36 36 ALA CA C 36 55.724 55.778 -0.054 1
1 380 . 17 1 1 A 36 36 ALA HA H 36 4.281 4.080 0.201 1
1 381 . 17 1 1 A 36 36 ALA CB C 36 17.153 18.472 -1.319 1
1 385 . 17 1 1 A 36 36 ALA C C 36 181.002 179.751 1.251 1
1 386 . 17 1 1 A 37 37 ASP N N 37 119.092 118.258 0.834 1
1 387 . 17 1 1 A 37 37 ASP H H 37 7.997 7.991 0.006 1
1 388 . 17 1 1 A 37 37 ASP CA C 37 57.105 56.570 0.535 1
1 389 . 17 1 1 A 37 37 ASP HA H 37 4.392 4.446 -0.054 1
1 390 . 17 1 1 A 37 37 ASP CB C 37 40.808 40.739 0.069 1
1 393 . 17 1 1 A 37 37 ASP C C 37 177.292 178.025 -0.733 1
1 394 . 17 1 1 A 38 38 TYR N N 38 121.825 120.916 0.909 1
1 395 . 17 1 1 A 38 38 TYR H H 38 7.648 8.477 -0.829 1
1 396 . 17 1 1 A 38 38 TYR CA C 38 60.838 61.172 -0.334 1
1 397 . 17 1 1 A 38 38 TYR HA H 38 4.046 4.218 -0.172 1
1 398 . 17 1 1 A 38 38 TYR CB C 38 39.411 38.773 0.638 1
1 409 . 17 1 1 A 38 38 TYR C C 38 177.306 177.311 -0.005 1
1 410 . 17 1 1 A 39 39 VAL N N 39 118.437 119.234 -0.797 1
1 411 . 17 1 1 A 39 39 VAL H H 39 8.306 8.511 -0.205 1
1 412 . 17 1 1 A 39 39 VAL CA C 39 65.398 65.406 -0.008 1
1 413 . 17 1 1 A 39 39 VAL HA H 39 3.707 3.961 -0.254 1
1 414 . 17 1 1 A 39 39 VAL CB C 39 32.833 32.134 0.699 1
1 424 . 17 1 1 A 39 39 VAL C C 39 177.244 177.033 0.211 1
1 425 . 17 1 1 A 40 40 GLY N N 40 105.738 109.254 -3.516 1
1 426 . 17 1 1 A 40 40 GLY H H 40 8.117 7.745 0.372 1
1 427 . 17 1 1 A 40 40 GLY CA C 40 45.890 46.444 -0.554 1
1 428 . 17 1 1 A 40 40 GLY HA2 H 40 3.896 3.883 0.013 1
1 429 . 17 1 1 A 40 40 GLY HA3 H 40 3.694 3.900 -0.206 1
1 430 . 17 1 1 A 40 40 GLY C C 40 173.930 174.972 -1.042 1
1 431 . 17 1 1 A 41 41 ASN N N 41 116.713 120.225 -3.512 1
1 432 . 17 1 1 A 41 41 ASN H H 41 8.620 9.047 -0.427 1
1 433 . 17 1 1 A 41 41 ASN CA C 41 54.192 54.410 -0.218 1
1 434 . 17 1 1 A 41 41 ASN HA H 41 4.253 4.303 -0.050 1
1 435 . 17 1 1 A 41 41 ASN CB C 41 38.370 36.719 1.651 1
1 441 . 17 1 1 A 41 41 ASN C C 41 173.935 174.514 -0.579 1
1 442 . 17 1 1 A 42 42 ALA N N 42 115.074 113.161 1.913 1
1 443 . 17 1 1 A 42 42 ALA H H 42 8.425 8.234 0.191 1
1 444 . 17 1 1 A 42 42 ALA CA C 42 52.968 53.565 -0.597 1
1 445 . 17 1 1 A 42 42 ALA HA H 42 3.876 3.849 0.027 1
1 446 . 17 1 1 A 42 42 ALA CB C 42 17.871 17.823 0.048 1
1 450 . 17 1 1 A 42 42 ALA C C 42 177.531 176.113 1.418 1
1 451 . 17 1 1 A 43 43 ARG N N 43 119.427 116.310 3.117 1
1 452 . 17 1 1 A 43 43 ARG H H 43 7.773 7.445 0.328 1
1 453 . 17 1 1 A 43 43 ARG CA C 43 54.411 54.032 0.379 1
1 454 . 17 1 1 A 43 43 ARG HA H 43 4.447 5.003 -0.556 1
1 455 . 17 1 1 A 43 43 ARG CB C 43 30.954 33.857 -2.903 1
1 466 . 17 1 1 A 43 43 ARG C C 43 177.734 174.213 3.521 1
1 467 . 17 1 1 A 44 44 THR N N 44 113.165 114.009 -0.844 1
1 468 . 17 1 1 A 44 44 THR H H 44 8.918 8.515 0.403 1
1 469 . 17 1 1 A 44 44 THR CA C 44 60.337 60.248 0.089 1
1 470 . 17 1 1 A 44 44 THR HA H 44 4.625 4.957 -0.332 1
1 471 . 17 1 1 A 44 44 THR CB C 44 72.316 70.319 1.997 1
1 477 . 17 1 1 A 44 44 THR C C 44 177.134 174.400 2.734 1
1 478 . 17 1 1 A 45 45 LYS N N 45 121.142 124.192 -3.050 1
1 479 . 17 1 1 A 45 45 LYS H H 45 9.432 8.819 0.613 1
1 480 . 17 1 1 A 45 45 LYS CA C 45 59.938 59.404 0.534 1
1 481 . 17 1 1 A 45 45 LYS HA H 45 4.137 4.140 -0.003 1
1 482 . 17 1 1 A 45 45 LYS CB C 45 32.188 31.993 0.195 1
1 494 . 17 1 1 A 45 45 LYS C C 45 177.330 178.143 -0.813 1
1 495 . 17 1 1 A 46 46 GLU N N 46 120.446 119.699 0.747 1
1 496 . 17 1 1 A 46 46 GLU H H 46 8.577 8.733 -0.156 1
1 497 . 17 1 1 A 46 46 GLU CA C 46 61.051 59.455 1.596 1
1 498 . 17 1 1 A 46 46 GLU HA H 46 3.716 3.911 -0.195 1
1 499 . 17 1 1 A 46 46 GLU CB C 46 28.270 29.440 -1.170 1
1 505 . 17 1 1 A 46 46 GLU C C 46 178.200 179.059 -0.859 1
1 506 . 17 1 1 A 47 47 GLU N N 47 119.411 118.406 1.005 1
1 507 . 17 1 1 A 47 47 GLU H H 47 7.874 7.946 -0.072 1
1 508 . 17 1 1 A 47 47 GLU CA C 47 59.209 59.076 0.133 1
1 509 . 17 1 1 A 47 47 GLU HA H 47 4.139 4.203 -0.064 1
1 510 . 17 1 1 A 47 47 GLU CB C 47 30.970 30.318 0.652 1
1 516 . 17 1 1 A 47 47 GLU C C 47 180.380 179.020 1.360 1
1 517 . 17 1 1 A 48 48 CYS N N 48 117.778 119.026 -1.248 1
1 518 . 17 1 1 A 48 48 CYS H H 48 8.354 8.661 -0.307 1
1 519 . 17 1 1 A 48 48 CYS CA C 48 65.002 63.078 1.924 1
1 520 . 17 1 1 A 48 48 CYS HA H 48 4.331 4.389 -0.058 1
1 521 . 17 1 1 A 48 48 CYS CB C 48 27.262 27.355 -0.093 1
1 524 . 17 1 1 A 48 48 CYS C C 48 174.443 177.089 -2.646 1
1 525 . 17 1 1 A 49 49 ARG N N 49 121.012 121.150 -0.138 1
1 526 . 17 1 1 A 49 49 ARG H H 49 7.364 7.448 -0.084 1
1 527 . 17 1 1 A 49 49 ARG CA C 49 58.352 58.104 0.248 1
1 528 . 17 1 1 A 49 49 ARG HA H 49 1.940 1.282 0.658 1
1 529 . 17 1 1 A 49 49 ARG CB C 49 29.691 29.000 0.691 1
1 538 . 17 1 1 A 49 49 ARG C C 49 177.306 177.368 -0.062 1
1 539 . 17 1 1 A 50 50 ASP N N 50 116.931 119.264 -2.333 1
1 540 . 17 1 1 A 50 50 ASP H H 50 8.183 7.472 0.711 1
1 541 . 17 1 1 A 50 50 ASP CA C 50 57.267 57.276 -0.009 1
1 542 . 17 1 1 A 50 50 ASP HA H 50 4.170 4.213 -0.043 1
1 543 . 17 1 1 A 50 50 ASP CB C 50 40.569 41.513 -0.944 1
1 546 . 17 1 1 A 50 50 ASP C C 50 178.695 178.113 0.582 1
1 547 . 17 1 1 A 51 51 HIS N N 51 116.759 119.618 -2.859 1
1 548 . 17 1 1 A 51 51 HIS H H 51 8.276 8.528 -0.252 1
1 549 . 17 1 1 A 51 51 HIS CA C 51 59.374 59.142 0.232 1
1 550 . 17 1 1 A 51 51 HIS HA H 51 3.986 3.976 0.010 1
1 551 . 17 1 1 A 51 51 HIS CB C 51 28.534 29.758 -1.224 1
1 558 . 17 1 1 A 51 51 HIS C C 51 177.514 176.699 0.815 1
1 559 . 17 1 1 A 52 52 TYR N N 52 121.013 120.055 0.958 1
1 560 . 17 1 1 A 52 52 TYR H H 52 8.364 7.844 0.520 1
1 561 . 17 1 1 A 52 52 TYR CA C 52 62.363 61.539 0.824 1
1 562 . 17 1 1 A 52 52 TYR HA H 52 3.951 4.137 -0.186 1
1 563 . 17 1 1 A 52 52 TYR CB C 52 39.610 38.424 1.186 1
1 574 . 17 1 1 A 52 52 TYR C C 52 177.492 177.369 0.123 1
1 575 . 17 1 1 A 53 53 LEU N N 53 117.616 119.238 -1.622 1
1 576 . 17 1 1 A 53 53 LEU H H 53 8.354 7.972 0.382 1
1 577 . 17 1 1 A 53 53 LEU CA C 53 57.261 56.613 0.648 1
1 578 . 17 1 1 A 53 53 LEU HA H 53 3.985 4.318 -0.333 1
1 579 . 17 1 1 A 53 53 LEU CB C 53 41.403 41.727 -0.324 1
1 592 . 17 1 1 A 53 53 LEU C C 53 178.921 177.572 1.349 1
1 593 . 17 1 1 A 54 54 LYS N N 54 116.037 116.070 -0.033 1
1 594 . 17 1 1 A 54 54 LYS H H 54 7.468 7.662 -0.194 1
1 595 . 17 1 1 A 54 54 LYS CA C 54 57.859 56.974 0.885 1
1 596 . 17 1 1 A 54 54 LYS HA H 54 4.006 4.450 -0.444 1
1 597 . 17 1 1 A 54 54 LYS CB C 54 32.668 33.996 -1.328 1
1 609 . 17 1 1 A 54 54 LYS C C 54 177.318 178.217 -0.899 1
1 610 . 17 1 1 A 55 55 THR N N 55 111.885 116.351 -4.466 1
1 611 . 17 1 1 A 55 55 THR H H 55 7.259 7.607 -0.348 1
1 612 . 17 1 1 A 55 55 THR CA C 55 63.882 65.517 -1.635 1
1 613 . 17 1 1 A 55 55 THR HA H 55 3.864 3.925 -0.061 1
1 614 . 17 1 1 A 55 55 THR CB C 55 69.759 69.020 0.739 1
1 620 . 17 1 1 A 55 55 THR C C 55 174.423 175.798 -1.375 1
1 621 . 17 1 1 A 56 56 TYR N N 56 120.015 118.781 1.234 1
1 622 . 17 1 1 A 56 56 TYR H H 56 7.767 8.052 -0.285 1
1 623 . 17 1 1 A 56 56 TYR CA C 56 58.699 60.723 -2.024 1
1 624 . 17 1 1 A 56 56 TYR HA H 56 4.388 4.003 0.385 1
1 625 . 17 1 1 A 56 56 TYR CB C 56 38.568 37.232 1.336 1
1 636 . 17 1 1 A 56 56 TYR C C 56 175.031 178.084 -3.053 1
1 637 . 17 1 1 A 57 57 ILE N N 57 121.611 120.259 1.352 1
1 638 . 17 1 1 A 57 57 ILE H H 57 7.376 7.398 -0.022 1
1 639 . 17 1 1 A 57 57 ILE CA C 57 60.560 64.254 -3.694 1
1 640 . 17 1 1 A 57 57 ILE HA H 57 4.155 3.916 0.239 1
1 641 . 17 1 1 A 57 57 ILE CB C 57 38.585 37.932 0.653 1
1 654 . 17 1 1 A 57 57 ILE C C 57 175.122 177.354 -2.232 1
1 1 . 18 1 1 A 3 3 SER CA C 3 58.574 59.764 -1.190 1
1 2 . 18 1 1 A 3 3 SER HA H 3 4.477 4.261 0.216 1
1 3 . 18 1 1 A 3 3 SER CB C 3 63.686 63.811 -0.125 1
1 5 . 18 1 1 A 3 3 SER C C 3 175.067 175.113 -0.046 1
1 6 . 18 1 1 A 4 4 GLY N N 4 111.014 110.031 0.983 1
1 7 . 18 1 1 A 4 4 GLY H H 4 8.466 8.061 0.405 1
1 8 . 18 1 1 A 4 4 GLY CA C 4 45.338 46.337 -0.999 1
1 9 . 18 1 1 A 4 4 GLY HA2 H 4 4.006 3.968 0.038 1
1 10 . 18 1 1 A 4 4 GLY C C 4 174.344 174.152 0.192 1
1 11 . 18 1 1 A 5 5 SER N N 5 115.891 117.220 -1.329 1
1 12 . 18 1 1 A 5 5 SER H H 5 8.294 8.028 0.266 1
1 13 . 18 1 1 A 5 5 SER CA C 5 58.277 57.729 0.548 1
1 14 . 18 1 1 A 5 5 SER HA H 5 4.499 5.002 -0.503 1
1 15 . 18 1 1 A 5 5 SER CB C 5 63.850 65.913 -2.063 1
1 17 . 18 1 1 A 5 5 SER C C 5 174.840 173.455 1.385 1
1 18 . 18 1 1 A 6 6 SER N N 6 117.946 123.403 -5.457 1
1 19 . 18 1 1 A 6 6 SER H H 6 8.479 8.766 -0.287 1
1 20 . 18 1 1 A 6 6 SER CA C 6 58.632 57.670 0.962 1
1 21 . 18 1 1 A 6 6 SER HA H 6 4.427 4.993 -0.566 1
1 22 . 18 1 1 A 6 6 SER CB C 6 63.855 62.694 1.161 1
1 24 . 18 1 1 A 6 6 SER C C 6 174.852 174.309 0.543 1
1 25 . 18 1 1 A 7 7 GLY N N 7 110.490 112.719 -2.229 1
1 26 . 18 1 1 A 7 7 GLY H H 7 8.354 8.503 -0.149 1
1 27 . 18 1 1 A 7 7 GLY CA C 7 45.231 46.103 -0.872 1
1 28 . 18 1 1 A 7 7 GLY HA2 H 7 3.836 4.169 -0.333 1
1 29 . 18 1 1 A 7 7 GLY HA3 H 7 3.898 4.215 -0.317 1
1 30 . 18 1 1 A 7 7 GLY C C 7 173.829 174.213 -0.384 1
1 31 . 18 1 1 A 8 8 PHE N N 8 119.865 114.085 5.780 1
1 32 . 18 1 1 A 8 8 PHE H H 8 8.094 8.096 -0.002 1
1 33 . 18 1 1 A 8 8 PHE CA C 8 57.501 56.397 1.104 1
1 34 . 18 1 1 A 8 8 PHE HA H 8 4.666 5.088 -0.422 1
1 35 . 18 1 1 A 8 8 PHE CB C 8 39.743 42.096 -2.353 1
1 48 . 18 1 1 A 8 8 PHE C C 8 175.564 173.331 2.233 1
1 49 . 18 1 1 A 9 9 ASP N N 9 122.084 120.874 1.210 1
1 50 . 18 1 1 A 9 9 ASP H H 9 8.516 8.794 -0.278 1
1 51 . 18 1 1 A 9 9 ASP CA C 9 54.372 52.924 1.448 1
1 52 . 18 1 1 A 9 9 ASP HA H 9 4.599 5.087 -0.488 1
1 53 . 18 1 1 A 9 9 ASP CB C 9 41.429 45.674 -4.245 1
1 56 . 18 1 1 A 9 9 ASP C C 9 176.168 174.701 1.467 1
1 57 . 18 1 1 A 10 10 GLU N N 10 121.747 119.583 2.164 1
1 58 . 18 1 1 A 10 10 GLU H H 10 8.489 8.665 -0.176 1
1 59 . 18 1 1 A 10 10 GLU CA C 10 56.705 55.807 0.898 1
1 60 . 18 1 1 A 10 10 GLU HA H 10 4.359 4.788 -0.429 1
1 61 . 18 1 1 A 10 10 GLU CB C 10 30.039 30.029 0.010 1
1 67 . 18 1 1 A 10 10 GLU C C 10 176.584 175.994 0.590 1
1 68 . 18 1 1 A 11 11 ASN N N 11 119.867 119.023 0.844 1
1 69 . 18 1 1 A 11 11 ASN H H 11 8.479 7.608 0.871 1
1 70 . 18 1 1 A 11 11 ASN CA C 11 53.332 54.209 -0.877 1
1 71 . 18 1 1 A 11 11 ASN HA H 11 4.791 4.703 0.088 1
1 72 . 18 1 1 A 11 11 ASN CB C 11 38.906 38.483 0.423 1
1 78 . 18 1 1 A 11 11 ASN C C 11 175.284 175.980 -0.696 1
1 79 . 18 1 1 A 12 12 TRP N N 12 124.246 126.408 -2.162 1
1 80 . 18 1 1 A 12 12 TRP H H 12 8.819 8.773 0.046 1
1 81 . 18 1 1 A 12 12 TRP CA C 12 57.447 57.526 -0.079 1
1 82 . 18 1 1 A 12 12 TRP HA H 12 4.338 4.719 -0.381 1
1 83 . 18 1 1 A 12 12 TRP CB C 12 29.096 30.509 -1.413 1
1 98 . 18 1 1 A 12 12 TRP C C 12 177.403 177.292 0.111 1
1 99 . 18 1 1 A 13 13 GLY N N 13 112.578 110.055 2.523 1
1 100 . 18 1 1 A 13 13 GLY H H 13 9.662 8.579 1.083 1
1 101 . 18 1 1 A 13 13 GLY CA C 13 44.383 44.532 -0.149 1
1 102 . 18 1 1 A 13 13 GLY HA2 H 13 4.315 4.118 0.197 1
1 103 . 18 1 1 A 13 13 GLY HA3 H 13 3.989 4.148 -0.159 1
1 104 . 18 1 1 A 13 13 GLY C C 13 174.443 174.856 -0.413 1
1 105 . 18 1 1 A 14 14 ALA N N 14 124.409 122.806 1.603 1
1 106 . 18 1 1 A 14 14 ALA H H 14 8.805 8.906 -0.101 1
1 107 . 18 1 1 A 14 14 ALA CA C 14 55.635 54.384 1.251 1
1 108 . 18 1 1 A 14 14 ALA HA H 14 4.225 4.118 0.107 1
1 109 . 18 1 1 A 14 14 ALA CB C 14 18.565 18.642 -0.077 1
1 113 . 18 1 1 A 14 14 ALA C C 14 180.546 179.513 1.033 1
1 114 . 18 1 1 A 15 15 ASP N N 15 115.685 118.673 -2.988 1
1 115 . 18 1 1 A 15 15 ASP H H 15 8.825 8.304 0.521 1
1 116 . 18 1 1 A 15 15 ASP CA C 15 56.775 57.372 -0.597 1
1 117 . 18 1 1 A 15 15 ASP HA H 15 4.416 4.374 0.042 1
1 118 . 18 1 1 A 15 15 ASP CB C 15 39.188 40.529 -1.341 1
1 121 . 18 1 1 A 15 15 ASP C C 15 178.981 178.731 0.250 1
1 122 . 18 1 1 A 16 16 GLU N N 16 121.445 117.616 3.829 1
1 123 . 18 1 1 A 16 16 GLU H H 16 7.772 8.564 -0.792 1
1 124 . 18 1 1 A 16 16 GLU CA C 16 59.380 58.773 0.607 1
1 125 . 18 1 1 A 16 16 GLU HA H 16 4.203 4.212 -0.009 1
1 126 . 18 1 1 A 16 16 GLU CB C 16 30.556 28.514 2.042 1
1 132 . 18 1 1 A 16 16 GLU C C 16 178.517 178.460 0.057 1
1 133 . 18 1 1 A 17 17 GLU N N 17 118.709 119.411 -0.702 1
1 134 . 18 1 1 A 17 17 GLU H H 17 8.363 8.153 0.210 1
1 135 . 18 1 1 A 17 17 GLU CA C 17 59.820 59.623 0.197 1
1 136 . 18 1 1 A 17 17 GLU HA H 17 4.429 4.476 -0.047 1
1 137 . 18 1 1 A 17 17 GLU CB C 17 29.774 29.487 0.287 1
1 143 . 18 1 1 A 17 17 GLU C C 17 179.029 179.134 -0.105 1
1 144 . 18 1 1 A 18 18 LEU N N 18 118.004 122.563 -4.559 1
1 145 . 18 1 1 A 18 18 LEU H H 18 7.650 8.310 -0.660 1
1 146 . 18 1 1 A 18 18 LEU CA C 18 58.128 57.550 0.578 1
1 147 . 18 1 1 A 18 18 LEU HA H 18 4.212 4.238 -0.026 1
1 148 . 18 1 1 A 18 18 LEU CB C 18 41.700 42.202 -0.502 1
1 161 . 18 1 1 A 18 18 LEU C C 18 179.871 178.388 1.483 1
1 162 . 18 1 1 A 19 19 LEU N N 19 119.600 118.858 0.742 1
1 163 . 18 1 1 A 19 19 LEU H H 19 7.783 8.200 -0.417 1
1 164 . 18 1 1 A 19 19 LEU CA C 19 58.106 58.307 -0.201 1
1 165 . 18 1 1 A 19 19 LEU HA H 19 4.390 4.114 0.276 1
1 166 . 18 1 1 A 19 19 LEU CB C 19 43.169 41.990 1.179 1
1 179 . 18 1 1 A 19 19 LEU C C 19 178.634 179.071 -0.437 1
1 180 . 18 1 1 A 20 20 LEU N N 20 120.243 119.745 0.498 1
1 181 . 18 1 1 A 20 20 LEU H H 20 8.364 7.850 0.514 1
1 182 . 18 1 1 A 20 20 LEU CA C 20 58.390 58.895 -0.505 1
1 183 . 18 1 1 A 20 20 LEU HA H 20 4.083 4.185 -0.102 1
1 184 . 18 1 1 A 20 20 LEU CB C 20 42.005 42.347 -0.342 1
1 197 . 18 1 1 A 20 20 LEU C C 20 178.135 178.649 -0.514 1
1 198 . 18 1 1 A 21 21 ILE N N 21 119.379 119.917 -0.538 1
1 199 . 18 1 1 A 21 21 ILE H H 21 8.133 8.354 -0.221 1
1 200 . 18 1 1 A 21 21 ILE CA C 21 64.962 65.708 -0.746 1
1 201 . 18 1 1 A 21 21 ILE HA H 21 3.685 3.611 0.074 1
1 202 . 18 1 1 A 21 21 ILE CB C 21 37.895 37.939 -0.044 1
1 215 . 18 1 1 A 21 21 ILE C C 21 178.423 177.915 0.508 1
1 216 . 18 1 1 A 22 22 ASP N N 22 120.464 120.743 -0.279 1
1 217 . 18 1 1 A 22 22 ASP H H 22 8.203 8.264 -0.061 1
1 218 . 18 1 1 A 22 22 ASP CA C 22 57.332 57.772 -0.440 1
1 219 . 18 1 1 A 22 22 ASP HA H 22 4.400 4.317 0.083 1
1 220 . 18 1 1 A 22 22 ASP CB C 22 41.023 41.264 -0.241 1
1 223 . 18 1 1 A 22 22 ASP C C 22 179.117 178.201 0.916 1
1 224 . 18 1 1 A 23 23 ALA N N 23 123.634 120.645 2.989 1
1 225 . 18 1 1 A 23 23 ALA H H 23 8.819 8.167 0.652 1
1 226 . 18 1 1 A 23 23 ALA CA C 23 55.058 54.671 0.387 1
1 227 . 18 1 1 A 23 23 ALA HA H 23 3.050 3.592 -0.542 1
1 228 . 18 1 1 A 23 23 ALA CB C 23 20.405 18.048 2.357 1
1 232 . 18 1 1 A 23 23 ALA C C 23 179.042 179.123 -0.081 1
1 233 . 18 1 1 A 24 24 CYS N N 24 115.941 118.071 -2.130 1
1 234 . 18 1 1 A 24 24 CYS H H 24 8.227 8.335 -0.108 1
1 235 . 18 1 1 A 24 24 CYS CA C 24 63.657 62.612 1.045 1
1 236 . 18 1 1 A 24 24 CYS HA H 24 3.524 3.627 -0.103 1
1 237 . 18 1 1 A 24 24 CYS CB C 24 27.165 26.533 0.632 1
1 240 . 18 1 1 A 24 24 CYS C C 24 177.855 176.385 1.470 1
1 241 . 18 1 1 A 25 25 GLU N N 25 118.624 119.279 -0.655 1
1 242 . 18 1 1 A 25 25 GLU H H 25 8.262 7.754 0.508 1
1 243 . 18 1 1 A 25 25 GLU CA C 25 58.829 58.084 0.745 1
1 244 . 18 1 1 A 25 25 GLU HA H 25 3.974 4.194 -0.220 1
1 245 . 18 1 1 A 25 25 GLU CB C 25 29.896 29.995 -0.099 1
1 251 . 18 1 1 A 25 25 GLU C C 25 178.082 178.997 -0.915 1
1 252 . 18 1 1 A 26 26 THR N N 26 113.708 117.725 -4.017 1
1 253 . 18 1 1 A 26 26 THR H H 26 8.046 8.194 -0.148 1
1 254 . 18 1 1 A 26 26 THR CA C 26 65.448 66.097 -0.649 1
1 255 . 18 1 1 A 26 26 THR HA H 26 4.003 3.906 0.097 1
1 256 . 18 1 1 A 26 26 THR CB C 26 69.475 68.623 0.852 1
1 262 . 18 1 1 A 26 26 THR C C 26 175.986 176.197 -0.211 1
1 263 . 18 1 1 A 27 27 LEU N N 27 119.789 118.558 1.231 1
1 264 . 18 1 1 A 27 27 LEU H H 27 8.609 7.620 0.989 1
1 265 . 18 1 1 A 27 27 LEU CA C 27 55.566 56.477 -0.911 1
1 266 . 18 1 1 A 27 27 LEU HA H 27 4.238 3.945 0.293 1
1 267 . 18 1 1 A 27 27 LEU CB C 27 42.130 42.492 -0.362 1
1 280 . 18 1 1 A 27 27 LEU C C 27 179.075 177.523 1.552 1
1 281 . 18 1 1 A 28 28 GLY N N 28 107.009 106.010 0.999 1
1 282 . 18 1 1 A 28 28 GLY H H 28 6.965 7.971 -1.006 1
1 283 . 18 1 1 A 28 28 GLY CA C 28 44.545 44.433 0.112 1
1 284 . 18 1 1 A 28 28 GLY HA2 H 28 4.057 3.898 0.159 1
1 285 . 18 1 1 A 28 28 GLY HA3 H 28 3.664 3.929 -0.265 1
1 286 . 18 1 1 A 28 28 GLY C C 28 173.046 174.897 -1.851 1
1 287 . 18 1 1 A 29 29 LEU N N 29 117.364 124.196 -6.832 1
1 288 . 18 1 1 A 29 29 LEU H H 29 7.960 8.035 -0.075 1
1 289 . 18 1 1 A 29 29 LEU CA C 29 54.626 57.179 -2.553 1
1 290 . 18 1 1 A 29 29 LEU HA H 29 3.487 3.025 0.462 1
1 291 . 18 1 1 A 29 29 LEU CB C 29 40.949 41.021 -0.072 1
1 304 . 18 1 1 A 29 29 LEU C C 29 177.460 178.716 -1.256 1
1 305 . 18 1 1 A 30 30 GLY N N 30 106.469 106.678 -0.209 1
1 306 . 18 1 1 A 30 30 GLY H H 30 7.503 7.901 -0.398 1
1 307 . 18 1 1 A 30 30 GLY CA C 30 46.003 47.059 -1.056 1
1 308 . 18 1 1 A 30 30 GLY HA2 H 30 3.781 3.739 0.042 1
1 309 . 18 1 1 A 30 30 GLY HA3 H 30 3.638 3.754 -0.116 1
1 310 . 18 1 1 A 30 30 GLY C C 30 174.269 174.366 -0.097 1
1 311 . 18 1 1 A 31 31 ASN N N 31 117.981 117.398 0.583 1
1 312 . 18 1 1 A 31 31 ASN H H 31 7.643 7.963 -0.320 1
1 313 . 18 1 1 A 31 31 ASN CA C 31 52.135 51.563 0.572 1
1 314 . 18 1 1 A 31 31 ASN HA H 31 4.899 4.868 0.031 1
1 315 . 18 1 1 A 31 31 ASN CB C 31 38.492 38.596 -0.104 1
1 321 . 18 1 1 A 31 31 ASN C C 31 176.436 175.224 1.212 1
1 322 . 18 1 1 A 32 32 TRP N N 32 124.932 124.109 0.823 1
1 323 . 18 1 1 A 32 32 TRP H H 32 8.638 8.169 0.469 1
1 324 . 18 1 1 A 32 32 TRP CA C 32 60.578 59.973 0.605 1
1 325 . 18 1 1 A 32 32 TRP HA H 32 4.257 4.282 -0.025 1
1 326 . 18 1 1 A 32 32 TRP CB C 32 29.185 29.299 -0.114 1
1 341 . 18 1 1 A 32 32 TRP C C 32 177.477 178.626 -1.149 1
1 342 . 18 1 1 A 33 33 ALA N N 33 123.791 122.068 1.723 1
1 343 . 18 1 1 A 33 33 ALA H H 33 8.522 8.333 0.189 1
1 344 . 18 1 1 A 33 33 ALA CA C 33 55.609 55.370 0.239 1
1 345 . 18 1 1 A 33 33 ALA HA H 33 4.245 4.165 0.080 1
1 346 . 18 1 1 A 33 33 ALA CB C 33 17.931 18.639 -0.708 1
1 350 . 18 1 1 A 33 33 ALA C C 33 179.868 179.643 0.225 1
1 351 . 18 1 1 A 34 34 ASP N N 34 118.553 118.098 0.455 1
1 352 . 18 1 1 A 34 34 ASP H H 34 7.463 7.741 -0.278 1
1 353 . 18 1 1 A 34 34 ASP CA C 34 56.937 57.163 -0.226 1
1 354 . 18 1 1 A 34 34 ASP HA H 34 4.378 4.569 -0.191 1
1 355 . 18 1 1 A 34 34 ASP CB C 34 40.089 41.160 -1.071 1
1 358 . 18 1 1 A 34 34 ASP C C 34 179.385 178.884 0.501 1
1 359 . 18 1 1 A 35 35 ILE N N 35 121.343 120.754 0.589 1
1 360 . 18 1 1 A 35 35 ILE H H 35 7.308 7.677 -0.369 1
1 361 . 18 1 1 A 35 35 ILE CA C 35 64.900 65.706 -0.806 1
1 362 . 18 1 1 A 35 35 ILE HA H 35 3.528 3.878 -0.350 1
1 363 . 18 1 1 A 35 35 ILE CB C 35 37.842 37.976 -0.134 1
1 376 . 18 1 1 A 35 35 ILE C C 35 176.832 177.897 -1.065 1
1 377 . 18 1 1 A 36 36 ALA N N 36 122.328 121.972 0.356 1
1 378 . 18 1 1 A 36 36 ALA H H 36 8.446 8.864 -0.418 1
1 379 . 18 1 1 A 36 36 ALA CA C 36 55.724 55.944 -0.220 1
1 380 . 18 1 1 A 36 36 ALA HA H 36 4.281 4.114 0.167 1
1 381 . 18 1 1 A 36 36 ALA CB C 36 17.153 18.457 -1.304 1
1 385 . 18 1 1 A 36 36 ALA C C 36 181.002 179.465 1.537 1
1 386 . 18 1 1 A 37 37 ASP N N 37 119.092 118.467 0.625 1
1 387 . 18 1 1 A 37 37 ASP H H 37 7.997 8.316 -0.319 1
1 388 . 18 1 1 A 37 37 ASP CA C 37 57.105 56.956 0.149 1
1 389 . 18 1 1 A 37 37 ASP HA H 37 4.392 4.451 -0.059 1
1 390 . 18 1 1 A 37 37 ASP CB C 37 40.808 40.714 0.094 1
1 393 . 18 1 1 A 37 37 ASP C C 37 177.292 178.090 -0.798 1
1 394 . 18 1 1 A 38 38 TYR N N 38 121.825 120.870 0.955 1
1 395 . 18 1 1 A 38 38 TYR H H 38 7.648 8.453 -0.805 1
1 396 . 18 1 1 A 38 38 TYR CA C 38 60.838 61.204 -0.366 1
1 397 . 18 1 1 A 38 38 TYR HA H 38 4.046 4.190 -0.144 1
1 398 . 18 1 1 A 38 38 TYR CB C 38 39.411 38.404 1.007 1
1 409 . 18 1 1 A 38 38 TYR C C 38 177.306 177.321 -0.015 1
1 410 . 18 1 1 A 39 39 VAL N N 39 118.437 118.997 -0.560 1
1 411 . 18 1 1 A 39 39 VAL H H 39 8.306 8.416 -0.110 1
1 412 . 18 1 1 A 39 39 VAL CA C 39 65.398 65.827 -0.429 1
1 413 . 18 1 1 A 39 39 VAL HA H 39 3.707 3.906 -0.199 1
1 414 . 18 1 1 A 39 39 VAL CB C 39 32.833 32.286 0.547 1
1 424 . 18 1 1 A 39 39 VAL C C 39 177.244 177.018 0.226 1
1 425 . 18 1 1 A 40 40 GLY N N 40 105.738 109.249 -3.511 1
1 426 . 18 1 1 A 40 40 GLY H H 40 8.117 7.768 0.349 1
1 427 . 18 1 1 A 40 40 GLY CA C 40 45.890 46.238 -0.348 1
1 428 . 18 1 1 A 40 40 GLY HA2 H 40 3.896 3.905 -0.009 1
1 429 . 18 1 1 A 40 40 GLY HA3 H 40 3.694 3.918 -0.224 1
1 430 . 18 1 1 A 40 40 GLY C C 40 173.930 175.139 -1.209 1
1 431 . 18 1 1 A 41 41 ASN N N 41 116.713 121.064 -4.351 1
1 432 . 18 1 1 A 41 41 ASN H H 41 8.620 9.065 -0.445 1
1 433 . 18 1 1 A 41 41 ASN CA C 41 54.192 54.421 -0.229 1
1 434 . 18 1 1 A 41 41 ASN HA H 41 4.253 4.294 -0.041 1
1 435 . 18 1 1 A 41 41 ASN CB C 41 38.370 36.803 1.567 1
1 441 . 18 1 1 A 41 41 ASN C C 41 173.935 174.523 -0.588 1
1 442 . 18 1 1 A 42 42 ALA N N 42 115.074 113.185 1.889 1
1 443 . 18 1 1 A 42 42 ALA H H 42 8.425 8.240 0.185 1
1 444 . 18 1 1 A 42 42 ALA CA C 42 52.968 53.413 -0.445 1
1 445 . 18 1 1 A 42 42 ALA HA H 42 3.876 3.836 0.040 1
1 446 . 18 1 1 A 42 42 ALA CB C 42 17.871 17.463 0.408 1
1 450 . 18 1 1 A 42 42 ALA C C 42 177.531 176.084 1.447 1
1 451 . 18 1 1 A 43 43 ARG N N 43 119.427 116.025 3.402 1
1 452 . 18 1 1 A 43 43 ARG H H 43 7.773 7.478 0.295 1
1 453 . 18 1 1 A 43 43 ARG CA C 43 54.411 54.053 0.358 1
1 454 . 18 1 1 A 43 43 ARG HA H 43 4.447 5.323 -0.876 1
1 455 . 18 1 1 A 43 43 ARG CB C 43 30.954 34.013 -3.059 1
1 466 . 18 1 1 A 43 43 ARG C C 43 177.734 175.229 2.505 1
1 467 . 18 1 1 A 44 44 THR N N 44 113.165 111.195 1.970 1
1 468 . 18 1 1 A 44 44 THR H H 44 8.918 8.582 0.336 1
1 469 . 18 1 1 A 44 44 THR CA C 44 60.337 60.510 -0.173 1
1 470 . 18 1 1 A 44 44 THR HA H 44 4.625 4.888 -0.263 1
1 471 . 18 1 1 A 44 44 THR CB C 44 72.316 71.439 0.877 1
1 477 . 18 1 1 A 44 44 THR C C 44 177.134 174.919 2.215 1
1 478 . 18 1 1 A 45 45 LYS N N 45 121.142 119.078 2.064 1
1 479 . 18 1 1 A 45 45 LYS H H 45 9.432 8.907 0.525 1
1 480 . 18 1 1 A 45 45 LYS CA C 45 59.938 59.041 0.897 1
1 481 . 18 1 1 A 45 45 LYS HA H 45 4.137 4.154 -0.017 1
1 482 . 18 1 1 A 45 45 LYS CB C 45 32.188 32.538 -0.350 1
1 494 . 18 1 1 A 45 45 LYS C C 45 177.330 178.658 -1.328 1
1 495 . 18 1 1 A 46 46 GLU N N 46 120.446 119.636 0.810 1
1 496 . 18 1 1 A 46 46 GLU H H 46 8.577 8.270 0.307 1
1 497 . 18 1 1 A 46 46 GLU CA C 46 61.051 59.092 1.959 1
1 498 . 18 1 1 A 46 46 GLU HA H 46 3.716 4.011 -0.295 1
1 499 . 18 1 1 A 46 46 GLU CB C 46 28.270 29.374 -1.104 1
1 505 . 18 1 1 A 46 46 GLU C C 46 178.200 179.046 -0.846 1
1 506 . 18 1 1 A 47 47 GLU N N 47 119.411 119.734 -0.323 1
1 507 . 18 1 1 A 47 47 GLU H H 47 7.874 7.480 0.394 1
1 508 . 18 1 1 A 47 47 GLU CA C 47 59.209 59.101 0.108 1
1 509 . 18 1 1 A 47 47 GLU HA H 47 4.139 4.231 -0.092 1
1 510 . 18 1 1 A 47 47 GLU CB C 47 30.970 30.302 0.668 1
1 516 . 18 1 1 A 47 47 GLU C C 47 180.380 179.005 1.375 1
1 517 . 18 1 1 A 48 48 CYS N N 48 117.778 119.170 -1.392 1
1 518 . 18 1 1 A 48 48 CYS H H 48 8.354 8.648 -0.294 1
1 519 . 18 1 1 A 48 48 CYS CA C 48 65.002 63.465 1.537 1
1 520 . 18 1 1 A 48 48 CYS HA H 48 4.331 4.539 -0.208 1
1 521 . 18 1 1 A 48 48 CYS CB C 48 27.262 27.543 -0.281 1
1 524 . 18 1 1 A 48 48 CYS C C 48 174.443 177.029 -2.586 1
1 525 . 18 1 1 A 49 49 ARG N N 49 121.012 120.707 0.305 1
1 526 . 18 1 1 A 49 49 ARG H H 49 7.364 7.694 -0.330 1
1 527 . 18 1 1 A 49 49 ARG CA C 49 58.352 58.484 -0.132 1
1 528 . 18 1 1 A 49 49 ARG HA H 49 1.940 1.925 0.015 1
1 529 . 18 1 1 A 49 49 ARG CB C 49 29.691 29.250 0.441 1
1 538 . 18 1 1 A 49 49 ARG C C 49 177.306 177.917 -0.611 1
1 539 . 18 1 1 A 50 50 ASP N N 50 116.931 117.892 -0.961 1
1 540 . 18 1 1 A 50 50 ASP H H 50 8.183 8.200 -0.017 1
1 541 . 18 1 1 A 50 50 ASP CA C 50 57.267 56.919 0.348 1
1 542 . 18 1 1 A 50 50 ASP HA H 50 4.170 4.188 -0.018 1
1 543 . 18 1 1 A 50 50 ASP CB C 50 40.569 40.722 -0.153 1
1 546 . 18 1 1 A 50 50 ASP C C 50 178.695 178.667 0.028 1
1 547 . 18 1 1 A 51 51 HIS N N 51 116.759 120.968 -4.209 1
1 548 . 18 1 1 A 51 51 HIS H H 51 8.276 8.414 -0.138 1
1 549 . 18 1 1 A 51 51 HIS CA C 51 59.374 59.077 0.297 1
1 550 . 18 1 1 A 51 51 HIS HA H 51 3.986 4.110 -0.124 1
1 551 . 18 1 1 A 51 51 HIS CB C 51 28.534 29.683 -1.149 1
1 558 . 18 1 1 A 51 51 HIS C C 51 177.514 176.887 0.627 1
1 559 . 18 1 1 A 52 52 TYR N N 52 121.013 119.819 1.194 1
1 560 . 18 1 1 A 52 52 TYR H H 52 8.364 7.532 0.832 1
1 561 . 18 1 1 A 52 52 TYR CA C 52 62.363 60.795 1.568 1
1 562 . 18 1 1 A 52 52 TYR HA H 52 3.951 3.925 0.026 1
1 563 . 18 1 1 A 52 52 TYR CB C 52 39.610 38.544 1.066 1
1 574 . 18 1 1 A 52 52 TYR C C 52 177.492 177.219 0.273 1
1 575 . 18 1 1 A 53 53 LEU N N 53 117.616 119.608 -1.992 1
1 576 . 18 1 1 A 53 53 LEU H H 53 8.354 7.520 0.834 1
1 577 . 18 1 1 A 53 53 LEU CA C 53 57.261 56.349 0.912 1
1 578 . 18 1 1 A 53 53 LEU HA H 53 3.985 4.302 -0.317 1
1 579 . 18 1 1 A 53 53 LEU CB C 53 41.403 41.825 -0.422 1
1 592 . 18 1 1 A 53 53 LEU C C 53 178.921 177.670 1.251 1
1 593 . 18 1 1 A 54 54 LYS N N 54 116.037 116.594 -0.557 1
1 594 . 18 1 1 A 54 54 LYS H H 54 7.468 7.851 -0.383 1
1 595 . 18 1 1 A 54 54 LYS CA C 54 57.859 57.225 0.634 1
1 596 . 18 1 1 A 54 54 LYS HA H 54 4.006 4.429 -0.423 1
1 597 . 18 1 1 A 54 54 LYS CB C 54 32.668 34.023 -1.355 1
1 609 . 18 1 1 A 54 54 LYS C C 54 177.318 178.315 -0.997 1
1 610 . 18 1 1 A 55 55 THR N N 55 111.885 116.504 -4.619 1
1 611 . 18 1 1 A 55 55 THR H H 55 7.259 7.892 -0.633 1
1 612 . 18 1 1 A 55 55 THR CA C 55 63.882 66.030 -2.148 1
1 613 . 18 1 1 A 55 55 THR HA H 55 3.864 3.835 0.029 1
1 614 . 18 1 1 A 55 55 THR CB C 55 69.759 68.707 1.052 1
1 620 . 18 1 1 A 55 55 THR C C 55 174.423 175.885 -1.462 1
1 621 . 18 1 1 A 56 56 TYR N N 56 120.015 118.834 1.181 1
1 622 . 18 1 1 A 56 56 TYR H H 56 7.767 7.604 0.163 1
1 623 . 18 1 1 A 56 56 TYR CA C 56 58.699 60.469 -1.770 1
1 624 . 18 1 1 A 56 56 TYR HA H 56 4.388 4.165 0.223 1
1 625 . 18 1 1 A 56 56 TYR CB C 56 38.568 38.184 0.384 1
1 636 . 18 1 1 A 56 56 TYR C C 56 175.031 178.112 -3.081 1
1 637 . 18 1 1 A 57 57 ILE N N 57 121.611 119.871 1.740 1
1 638 . 18 1 1 A 57 57 ILE H H 57 7.376 7.941 -0.565 1
1 639 . 18 1 1 A 57 57 ILE CA C 57 60.560 64.965 -4.405 1
1 640 . 18 1 1 A 57 57 ILE HA H 57 4.155 3.659 0.496 1
1 641 . 18 1 1 A 57 57 ILE CB C 57 38.585 37.904 0.681 1
1 654 . 18 1 1 A 57 57 ILE C C 57 175.122 178.406 -3.284 1
1 1 . 19 1 1 A 3 3 SER CA C 3 58.574 59.473 -0.899 1
1 2 . 19 1 1 A 3 3 SER HA H 3 4.477 4.297 0.180 1
1 3 . 19 1 1 A 3 3 SER CB C 3 63.686 63.187 0.499 1
1 5 . 19 1 1 A 3 3 SER C C 3 175.067 174.273 0.794 1
1 6 . 19 1 1 A 4 4 GLY N N 4 111.014 109.313 1.701 1
1 7 . 19 1 1 A 4 4 GLY H H 4 8.466 8.664 -0.198 1
1 8 . 19 1 1 A 4 4 GLY CA C 4 45.338 44.441 0.897 1
1 9 . 19 1 1 A 4 4 GLY HA2 H 4 4.006 4.150 -0.144 1
1 10 . 19 1 1 A 4 4 GLY C C 4 174.344 172.406 1.938 1
1 11 . 19 1 1 A 5 5 SER N N 5 115.891 116.174 -0.283 1
1 12 . 19 1 1 A 5 5 SER H H 5 8.294 8.545 -0.251 1
1 13 . 19 1 1 A 5 5 SER CA C 5 58.277 56.868 1.409 1
1 14 . 19 1 1 A 5 5 SER HA H 5 4.499 4.730 -0.231 1
1 15 . 19 1 1 A 5 5 SER CB C 5 63.850 63.902 -0.052 1
1 17 . 19 1 1 A 5 5 SER C C 5 174.840 173.301 1.539 1
1 18 . 19 1 1 A 6 6 SER N N 6 117.946 115.780 2.166 1
1 19 . 19 1 1 A 6 6 SER H H 6 8.479 7.733 0.746 1
1 20 . 19 1 1 A 6 6 SER CA C 6 58.632 57.016 1.616 1
1 21 . 19 1 1 A 6 6 SER HA H 6 4.427 4.800 -0.373 1
1 22 . 19 1 1 A 6 6 SER CB C 6 63.855 63.924 -0.069 1
1 24 . 19 1 1 A 6 6 SER C C 6 174.852 173.484 1.368 1
1 25 . 19 1 1 A 7 7 GLY N N 7 110.490 111.274 -0.784 1
1 26 . 19 1 1 A 7 7 GLY H H 7 8.354 8.814 -0.460 1
1 27 . 19 1 1 A 7 7 GLY CA C 7 45.231 45.035 0.196 1
1 28 . 19 1 1 A 7 7 GLY HA2 H 7 3.836 4.093 -0.257 1
1 29 . 19 1 1 A 7 7 GLY HA3 H 7 3.898 4.124 -0.226 1
1 30 . 19 1 1 A 7 7 GLY C C 7 173.829 172.993 0.836 1
1 31 . 19 1 1 A 8 8 PHE N N 8 119.865 125.691 -5.826 1
1 32 . 19 1 1 A 8 8 PHE H H 8 8.094 9.077 -0.983 1
1 33 . 19 1 1 A 8 8 PHE CA C 8 57.501 57.514 -0.013 1
1 34 . 19 1 1 A 8 8 PHE HA H 8 4.666 4.729 -0.063 1
1 35 . 19 1 1 A 8 8 PHE CB C 8 39.743 38.026 1.717 1
1 48 . 19 1 1 A 8 8 PHE C C 8 175.564 174.743 0.821 1
1 49 . 19 1 1 A 9 9 ASP N N 9 122.084 125.943 -3.859 1
1 50 . 19 1 1 A 9 9 ASP H H 9 8.516 8.664 -0.148 1
1 51 . 19 1 1 A 9 9 ASP CA C 9 54.372 53.063 1.309 1
1 52 . 19 1 1 A 9 9 ASP HA H 9 4.599 4.717 -0.118 1
1 53 . 19 1 1 A 9 9 ASP CB C 9 41.429 40.169 1.260 1
1 56 . 19 1 1 A 9 9 ASP C C 9 176.168 176.332 -0.164 1
1 57 . 19 1 1 A 10 10 GLU N N 10 121.747 122.587 -0.840 1
1 58 . 19 1 1 A 10 10 GLU H H 10 8.489 8.176 0.313 1
1 59 . 19 1 1 A 10 10 GLU CA C 10 56.705 56.062 0.643 1
1 60 . 19 1 1 A 10 10 GLU HA H 10 4.359 4.609 -0.250 1
1 61 . 19 1 1 A 10 10 GLU CB C 10 30.039 29.475 0.564 1
1 67 . 19 1 1 A 10 10 GLU C C 10 176.584 175.739 0.845 1
1 68 . 19 1 1 A 11 11 ASN N N 11 119.867 118.195 1.672 1
1 69 . 19 1 1 A 11 11 ASN H H 11 8.479 7.866 0.613 1
1 70 . 19 1 1 A 11 11 ASN CA C 11 53.332 52.168 1.164 1
1 71 . 19 1 1 A 11 11 ASN HA H 11 4.791 5.518 -0.727 1
1 72 . 19 1 1 A 11 11 ASN CB C 11 38.906 42.392 -3.486 1
1 78 . 19 1 1 A 11 11 ASN C C 11 175.284 174.779 0.505 1
1 79 . 19 1 1 A 12 12 TRP N N 12 124.246 124.112 0.134 1
1 80 . 19 1 1 A 12 12 TRP H H 12 8.819 9.080 -0.261 1
1 81 . 19 1 1 A 12 12 TRP CA C 12 57.447 57.088 0.359 1
1 82 . 19 1 1 A 12 12 TRP HA H 12 4.338 4.868 -0.530 1
1 83 . 19 1 1 A 12 12 TRP CB C 12 29.096 30.569 -1.473 1
1 98 . 19 1 1 A 12 12 TRP C C 12 177.403 176.379 1.024 1
1 99 . 19 1 1 A 13 13 GLY N N 13 112.578 108.573 4.005 1
1 100 . 19 1 1 A 13 13 GLY H H 13 9.662 8.887 0.775 1
1 101 . 19 1 1 A 13 13 GLY CA C 13 44.383 44.478 -0.095 1
1 102 . 19 1 1 A 13 13 GLY HA2 H 13 4.315 4.458 -0.143 1
1 103 . 19 1 1 A 13 13 GLY HA3 H 13 3.989 4.489 -0.500 1
1 104 . 19 1 1 A 13 13 GLY C C 13 174.443 174.984 -0.541 1
1 105 . 19 1 1 A 14 14 ALA N N 14 124.409 125.929 -1.520 1
1 106 . 19 1 1 A 14 14 ALA H H 14 8.805 9.255 -0.450 1
1 107 . 19 1 1 A 14 14 ALA CA C 14 55.635 55.310 0.325 1
1 108 . 19 1 1 A 14 14 ALA HA H 14 4.225 4.047 0.178 1
1 109 . 19 1 1 A 14 14 ALA CB C 14 18.565 18.349 0.216 1
1 113 . 19 1 1 A 14 14 ALA C C 14 180.546 179.422 1.124 1
1 114 . 19 1 1 A 15 15 ASP N N 15 115.685 118.601 -2.916 1
1 115 . 19 1 1 A 15 15 ASP H H 15 8.825 8.142 0.683 1
1 116 . 19 1 1 A 15 15 ASP CA C 15 56.775 57.374 -0.599 1
1 117 . 19 1 1 A 15 15 ASP HA H 15 4.416 4.406 0.010 1
1 118 . 19 1 1 A 15 15 ASP CB C 15 39.188 40.563 -1.375 1
1 121 . 19 1 1 A 15 15 ASP C C 15 178.981 178.712 0.269 1
1 122 . 19 1 1 A 16 16 GLU N N 16 121.445 117.822 3.623 1
1 123 . 19 1 1 A 16 16 GLU H H 16 7.772 8.549 -0.777 1
1 124 . 19 1 1 A 16 16 GLU CA C 16 59.380 58.609 0.771 1
1 125 . 19 1 1 A 16 16 GLU HA H 16 4.203 4.187 0.016 1
1 126 . 19 1 1 A 16 16 GLU CB C 16 30.556 28.335 2.221 1
1 132 . 19 1 1 A 16 16 GLU C C 16 178.517 178.975 -0.458 1
1 133 . 19 1 1 A 17 17 GLU N N 17 118.709 119.872 -1.163 1
1 134 . 19 1 1 A 17 17 GLU H H 17 8.363 8.673 -0.310 1
1 135 . 19 1 1 A 17 17 GLU CA C 17 59.820 58.964 0.856 1
1 136 . 19 1 1 A 17 17 GLU HA H 17 4.429 4.490 -0.061 1
1 137 . 19 1 1 A 17 17 GLU CB C 17 29.774 30.323 -0.549 1
1 143 . 19 1 1 A 17 17 GLU C C 17 179.029 179.024 0.005 1
1 144 . 19 1 1 A 18 18 LEU N N 18 118.004 122.014 -4.010 1
1 145 . 19 1 1 A 18 18 LEU H H 18 7.650 8.457 -0.807 1
1 146 . 19 1 1 A 18 18 LEU CA C 18 58.128 57.985 0.143 1
1 147 . 19 1 1 A 18 18 LEU HA H 18 4.212 4.198 0.014 1
1 148 . 19 1 1 A 18 18 LEU CB C 18 41.700 41.666 0.034 1
1 161 . 19 1 1 A 18 18 LEU C C 18 179.871 178.599 1.272 1
1 162 . 19 1 1 A 19 19 LEU N N 19 119.600 118.591 1.009 1
1 163 . 19 1 1 A 19 19 LEU H H 19 7.783 7.986 -0.203 1
1 164 . 19 1 1 A 19 19 LEU CA C 19 58.106 58.043 0.063 1
1 165 . 19 1 1 A 19 19 LEU HA H 19 4.390 4.228 0.162 1
1 166 . 19 1 1 A 19 19 LEU CB C 19 43.169 41.752 1.417 1
1 179 . 19 1 1 A 19 19 LEU C C 19 178.634 179.101 -0.467 1
1 180 . 19 1 1 A 20 20 LEU N N 20 120.243 119.977 0.266 1
1 181 . 19 1 1 A 20 20 LEU H H 20 8.364 7.906 0.458 1
1 182 . 19 1 1 A 20 20 LEU CA C 20 58.390 58.720 -0.330 1
1 183 . 19 1 1 A 20 20 LEU HA H 20 4.083 4.170 -0.087 1
1 184 . 19 1 1 A 20 20 LEU CB C 20 42.005 42.055 -0.050 1
1 197 . 19 1 1 A 20 20 LEU C C 20 178.135 178.628 -0.493 1
1 198 . 19 1 1 A 21 21 ILE N N 21 119.379 119.895 -0.516 1
1 199 . 19 1 1 A 21 21 ILE H H 21 8.133 7.929 0.204 1
1 200 . 19 1 1 A 21 21 ILE CA C 21 64.962 65.585 -0.623 1
1 201 . 19 1 1 A 21 21 ILE HA H 21 3.685 3.530 0.155 1
1 202 . 19 1 1 A 21 21 ILE CB C 21 37.895 38.023 -0.128 1
1 215 . 19 1 1 A 21 21 ILE C C 21 178.423 177.529 0.894 1
1 216 . 19 1 1 A 22 22 ASP N N 22 120.464 120.043 0.421 1
1 217 . 19 1 1 A 22 22 ASP H H 22 8.203 8.563 -0.360 1
1 218 . 19 1 1 A 22 22 ASP CA C 22 57.332 57.443 -0.111 1
1 219 . 19 1 1 A 22 22 ASP HA H 22 4.400 4.296 0.104 1
1 220 . 19 1 1 A 22 22 ASP CB C 22 41.023 40.534 0.489 1
1 223 . 19 1 1 A 22 22 ASP C C 22 179.117 178.544 0.573 1
1 224 . 19 1 1 A 23 23 ALA N N 23 123.634 121.857 1.777 1
1 225 . 19 1 1 A 23 23 ALA H H 23 8.819 8.493 0.326 1
1 226 . 19 1 1 A 23 23 ALA CA C 23 55.058 54.646 0.412 1
1 227 . 19 1 1 A 23 23 ALA HA H 23 3.050 3.683 -0.633 1
1 228 . 19 1 1 A 23 23 ALA CB C 23 20.405 18.085 2.320 1
1 232 . 19 1 1 A 23 23 ALA C C 23 179.042 179.700 -0.658 1
1 233 . 19 1 1 A 24 24 CYS N N 24 115.941 116.031 -0.090 1
1 234 . 19 1 1 A 24 24 CYS H H 24 8.227 7.920 0.307 1
1 235 . 19 1 1 A 24 24 CYS CA C 24 63.657 62.465 1.192 1
1 236 . 19 1 1 A 24 24 CYS HA H 24 3.524 3.931 -0.407 1
1 237 . 19 1 1 A 24 24 CYS CB C 24 27.165 26.769 0.396 1
1 240 . 19 1 1 A 24 24 CYS C C 24 177.855 176.145 1.710 1
1 241 . 19 1 1 A 25 25 GLU N N 25 118.624 118.990 -0.366 1
1 242 . 19 1 1 A 25 25 GLU H H 25 8.262 8.075 0.187 1
1 243 . 19 1 1 A 25 25 GLU CA C 25 58.829 59.239 -0.410 1
1 244 . 19 1 1 A 25 25 GLU HA H 25 3.974 4.120 -0.146 1
1 245 . 19 1 1 A 25 25 GLU CB C 25 29.896 29.627 0.269 1
1 251 . 19 1 1 A 25 25 GLU C C 25 178.082 178.882 -0.800 1
1 252 . 19 1 1 A 26 26 THR N N 26 113.708 117.033 -3.325 1
1 253 . 19 1 1 A 26 26 THR H H 26 8.046 8.433 -0.387 1
1 254 . 19 1 1 A 26 26 THR CA C 26 65.448 66.657 -1.209 1
1 255 . 19 1 1 A 26 26 THR HA H 26 4.003 3.860 0.143 1
1 256 . 19 1 1 A 26 26 THR CB C 26 69.475 68.693 0.782 1
1 262 . 19 1 1 A 26 26 THR C C 26 175.986 176.222 -0.236 1
1 263 . 19 1 1 A 27 27 LEU N N 27 119.789 118.673 1.116 1
1 264 . 19 1 1 A 27 27 LEU H H 27 8.609 7.482 1.127 1
1 265 . 19 1 1 A 27 27 LEU CA C 27 55.566 56.537 -0.971 1
1 266 . 19 1 1 A 27 27 LEU HA H 27 4.238 3.931 0.307 1
1 267 . 19 1 1 A 27 27 LEU CB C 27 42.130 42.482 -0.352 1
1 280 . 19 1 1 A 27 27 LEU C C 27 179.075 177.431 1.644 1
1 281 . 19 1 1 A 28 28 GLY N N 28 107.009 105.638 1.371 1
1 282 . 19 1 1 A 28 28 GLY H H 28 6.965 8.022 -1.057 1
1 283 . 19 1 1 A 28 28 GLY CA C 28 44.545 44.307 0.238 1
1 284 . 19 1 1 A 28 28 GLY HA2 H 28 4.057 3.900 0.157 1
1 285 . 19 1 1 A 28 28 GLY HA3 H 28 3.664 3.925 -0.261 1
1 286 . 19 1 1 A 28 28 GLY C C 28 173.046 174.730 -1.684 1
1 287 . 19 1 1 A 29 29 LEU N N 29 117.364 121.264 -3.900 1
1 288 . 19 1 1 A 29 29 LEU H H 29 7.960 8.499 -0.539 1
1 289 . 19 1 1 A 29 29 LEU CA C 29 54.626 55.590 -0.964 1
1 290 . 19 1 1 A 29 29 LEU HA H 29 3.487 3.523 -0.036 1
1 291 . 19 1 1 A 29 29 LEU CB C 29 40.949 40.758 0.191 1
1 304 . 19 1 1 A 29 29 LEU C C 29 177.460 177.636 -0.176 1
1 305 . 19 1 1 A 30 30 GLY N N 30 106.469 108.199 -1.730 1
1 306 . 19 1 1 A 30 30 GLY H H 30 7.503 8.263 -0.760 1
1 307 . 19 1 1 A 30 30 GLY CA C 30 46.003 46.813 -0.810 1
1 308 . 19 1 1 A 30 30 GLY HA2 H 30 3.781 3.852 -0.071 1
1 309 . 19 1 1 A 30 30 GLY HA3 H 30 3.638 3.862 -0.224 1
1 310 . 19 1 1 A 30 30 GLY C C 30 174.269 174.454 -0.185 1
1 311 . 19 1 1 A 31 31 ASN N N 31 117.981 116.147 1.834 1
1 312 . 19 1 1 A 31 31 ASN H H 31 7.643 7.789 -0.146 1
1 313 . 19 1 1 A 31 31 ASN CA C 31 52.135 52.261 -0.126 1
1 314 . 19 1 1 A 31 31 ASN HA H 31 4.899 4.966 -0.067 1
1 315 . 19 1 1 A 31 31 ASN CB C 31 38.492 39.844 -1.352 1
1 321 . 19 1 1 A 31 31 ASN C C 31 176.436 174.992 1.444 1
1 322 . 19 1 1 A 32 32 TRP N N 32 124.932 124.737 0.195 1
1 323 . 19 1 1 A 32 32 TRP H H 32 8.638 8.598 0.040 1
1 324 . 19 1 1 A 32 32 TRP CA C 32 60.578 59.893 0.685 1
1 325 . 19 1 1 A 32 32 TRP HA H 32 4.257 4.297 -0.040 1
1 326 . 19 1 1 A 32 32 TRP CB C 32 29.185 29.227 -0.042 1
1 341 . 19 1 1 A 32 32 TRP C C 32 177.477 178.659 -1.182 1
1 342 . 19 1 1 A 33 33 ALA N N 33 123.791 122.106 1.685 1
1 343 . 19 1 1 A 33 33 ALA H H 33 8.522 7.927 0.595 1
1 344 . 19 1 1 A 33 33 ALA CA C 33 55.609 55.385 0.224 1
1 345 . 19 1 1 A 33 33 ALA HA H 33 4.245 4.163 0.082 1
1 346 . 19 1 1 A 33 33 ALA CB C 33 17.931 18.681 -0.750 1
1 350 . 19 1 1 A 33 33 ALA C C 33 179.868 179.472 0.396 1
1 351 . 19 1 1 A 34 34 ASP N N 34 118.553 117.889 0.664 1
1 352 . 19 1 1 A 34 34 ASP H H 34 7.463 7.532 -0.069 1
1 353 . 19 1 1 A 34 34 ASP CA C 34 56.937 57.095 -0.158 1
1 354 . 19 1 1 A 34 34 ASP HA H 34 4.378 4.604 -0.226 1
1 355 . 19 1 1 A 34 34 ASP CB C 34 40.089 40.788 -0.699 1
1 358 . 19 1 1 A 34 34 ASP C C 34 179.385 178.917 0.468 1
1 359 . 19 1 1 A 35 35 ILE N N 35 121.343 120.127 1.216 1
1 360 . 19 1 1 A 35 35 ILE H H 35 7.308 7.728 -0.420 1
1 361 . 19 1 1 A 35 35 ILE CA C 35 64.900 65.337 -0.437 1
1 362 . 19 1 1 A 35 35 ILE HA H 35 3.528 4.002 -0.474 1
1 363 . 19 1 1 A 35 35 ILE CB C 35 37.842 37.365 0.477 1
1 376 . 19 1 1 A 35 35 ILE C C 35 176.832 178.267 -1.435 1
1 377 . 19 1 1 A 36 36 ALA N N 36 122.328 122.422 -0.094 1
1 378 . 19 1 1 A 36 36 ALA H H 36 8.446 8.827 -0.381 1
1 379 . 19 1 1 A 36 36 ALA CA C 36 55.724 55.933 -0.209 1
1 380 . 19 1 1 A 36 36 ALA HA H 36 4.281 4.156 0.125 1
1 381 . 19 1 1 A 36 36 ALA CB C 36 17.153 18.293 -1.140 1
1 385 . 19 1 1 A 36 36 ALA C C 36 181.002 179.096 1.906 1
1 386 . 19 1 1 A 37 37 ASP N N 37 119.092 118.468 0.624 1
1 387 . 19 1 1 A 37 37 ASP H H 37 7.997 7.715 0.282 1
1 388 . 19 1 1 A 37 37 ASP CA C 37 57.105 57.093 0.012 1
1 389 . 19 1 1 A 37 37 ASP HA H 37 4.392 4.423 -0.031 1
1 390 . 19 1 1 A 37 37 ASP CB C 37 40.808 41.242 -0.434 1
1 393 . 19 1 1 A 37 37 ASP C C 37 177.292 178.210 -0.918 1
1 394 . 19 1 1 A 38 38 TYR N N 38 121.825 120.976 0.849 1
1 395 . 19 1 1 A 38 38 TYR H H 38 7.648 7.893 -0.245 1
1 396 . 19 1 1 A 38 38 TYR CA C 38 60.838 61.194 -0.356 1
1 397 . 19 1 1 A 38 38 TYR HA H 38 4.046 4.201 -0.155 1
1 398 . 19 1 1 A 38 38 TYR CB C 38 39.411 38.635 0.776 1
1 409 . 19 1 1 A 38 38 TYR C C 38 177.306 177.246 0.060 1
1 410 . 19 1 1 A 39 39 VAL N N 39 118.437 118.977 -0.540 1
1 411 . 19 1 1 A 39 39 VAL H H 39 8.306 8.396 -0.090 1
1 412 . 19 1 1 A 39 39 VAL CA C 39 65.398 65.448 -0.050 1
1 413 . 19 1 1 A 39 39 VAL HA H 39 3.707 3.927 -0.220 1
1 414 . 19 1 1 A 39 39 VAL CB C 39 32.833 32.133 0.700 1
1 424 . 19 1 1 A 39 39 VAL C C 39 177.244 177.063 0.181 1
1 425 . 19 1 1 A 40 40 GLY N N 40 105.738 109.286 -3.548 1
1 426 . 19 1 1 A 40 40 GLY H H 40 8.117 8.018 0.099 1
1 427 . 19 1 1 A 40 40 GLY CA C 40 45.890 46.557 -0.667 1
1 428 . 19 1 1 A 40 40 GLY HA2 H 40 3.896 3.893 0.003 1
1 429 . 19 1 1 A 40 40 GLY HA3 H 40 3.694 3.907 -0.213 1
1 430 . 19 1 1 A 40 40 GLY C C 40 173.930 175.014 -1.084 1
1 431 . 19 1 1 A 41 41 ASN N N 41 116.713 120.185 -3.472 1
1 432 . 19 1 1 A 41 41 ASN H H 41 8.620 9.042 -0.422 1
1 433 . 19 1 1 A 41 41 ASN CA C 41 54.192 54.442 -0.250 1
1 434 . 19 1 1 A 41 41 ASN HA H 41 4.253 4.298 -0.045 1
1 435 . 19 1 1 A 41 41 ASN CB C 41 38.370 36.800 1.570 1
1 441 . 19 1 1 A 41 41 ASN C C 41 173.935 174.511 -0.576 1
1 442 . 19 1 1 A 42 42 ALA N N 42 115.074 113.237 1.837 1
1 443 . 19 1 1 A 42 42 ALA H H 42 8.425 8.225 0.200 1
1 444 . 19 1 1 A 42 42 ALA CA C 42 52.968 53.306 -0.338 1
1 445 . 19 1 1 A 42 42 ALA HA H 42 3.876 3.833 0.043 1
1 446 . 19 1 1 A 42 42 ALA CB C 42 17.871 17.460 0.411 1
1 450 . 19 1 1 A 42 42 ALA C C 42 177.531 176.057 1.474 1
1 451 . 19 1 1 A 43 43 ARG N N 43 119.427 116.065 3.362 1
1 452 . 19 1 1 A 43 43 ARG H H 43 7.773 7.410 0.363 1
1 453 . 19 1 1 A 43 43 ARG CA C 43 54.411 54.029 0.382 1
1 454 . 19 1 1 A 43 43 ARG HA H 43 4.447 4.965 -0.518 1
1 455 . 19 1 1 A 43 43 ARG CB C 43 30.954 33.942 -2.988 1
1 466 . 19 1 1 A 43 43 ARG C C 43 177.734 174.258 3.476 1
1 467 . 19 1 1 A 44 44 THR N N 44 113.165 114.014 -0.849 1
1 468 . 19 1 1 A 44 44 THR H H 44 8.918 8.550 0.368 1
1 469 . 19 1 1 A 44 44 THR CA C 44 60.337 60.553 -0.216 1
1 470 . 19 1 1 A 44 44 THR HA H 44 4.625 4.955 -0.330 1
1 471 . 19 1 1 A 44 44 THR CB C 44 72.316 70.168 2.148 1
1 477 . 19 1 1 A 44 44 THR C C 44 177.134 174.497 2.637 1
1 478 . 19 1 1 A 45 45 LYS N N 45 121.142 124.814 -3.672 1
1 479 . 19 1 1 A 45 45 LYS H H 45 9.432 8.824 0.608 1
1 480 . 19 1 1 A 45 45 LYS CA C 45 59.938 59.254 0.684 1
1 481 . 19 1 1 A 45 45 LYS HA H 45 4.137 4.125 0.012 1
1 482 . 19 1 1 A 45 45 LYS CB C 45 32.188 32.059 0.129 1
1 494 . 19 1 1 A 45 45 LYS C C 45 177.330 178.040 -0.710 1
1 495 . 19 1 1 A 46 46 GLU N N 46 120.446 119.694 0.752 1
1 496 . 19 1 1 A 46 46 GLU H H 46 8.577 8.751 -0.174 1
1 497 . 19 1 1 A 46 46 GLU CA C 46 61.051 59.623 1.428 1
1 498 . 19 1 1 A 46 46 GLU HA H 46 3.716 3.919 -0.203 1
1 499 . 19 1 1 A 46 46 GLU CB C 46 28.270 29.355 -1.085 1
1 505 . 19 1 1 A 46 46 GLU C C 46 178.200 179.226 -1.026 1
1 506 . 19 1 1 A 47 47 GLU N N 47 119.411 118.689 0.722 1
1 507 . 19 1 1 A 47 47 GLU H H 47 7.874 8.185 -0.311 1
1 508 . 19 1 1 A 47 47 GLU CA C 47 59.209 59.036 0.173 1
1 509 . 19 1 1 A 47 47 GLU HA H 47 4.139 4.240 -0.101 1
1 510 . 19 1 1 A 47 47 GLU CB C 47 30.970 30.247 0.723 1
1 516 . 19 1 1 A 47 47 GLU C C 47 180.380 179.084 1.296 1
1 517 . 19 1 1 A 48 48 CYS N N 48 117.778 119.043 -1.265 1
1 518 . 19 1 1 A 48 48 CYS H H 48 8.354 8.506 -0.152 1
1 519 . 19 1 1 A 48 48 CYS CA C 48 65.002 63.284 1.718 1
1 520 . 19 1 1 A 48 48 CYS HA H 48 4.331 4.448 -0.117 1
1 521 . 19 1 1 A 48 48 CYS CB C 48 27.262 27.406 -0.144 1
1 524 . 19 1 1 A 48 48 CYS C C 48 174.443 177.083 -2.640 1
1 525 . 19 1 1 A 49 49 ARG N N 49 121.012 121.443 -0.431 1
1 526 . 19 1 1 A 49 49 ARG H H 49 7.364 7.591 -0.227 1
1 527 . 19 1 1 A 49 49 ARG CA C 49 58.352 58.239 0.113 1
1 528 . 19 1 1 A 49 49 ARG HA H 49 1.940 1.484 0.456 1
1 529 . 19 1 1 A 49 49 ARG CB C 49 29.691 28.988 0.703 1
1 538 . 19 1 1 A 49 49 ARG C C 49 177.306 178.200 -0.894 1
1 539 . 19 1 1 A 50 50 ASP N N 50 116.931 118.833 -1.902 1
1 540 . 19 1 1 A 50 50 ASP H H 50 8.183 7.444 0.739 1
1 541 . 19 1 1 A 50 50 ASP CA C 50 57.267 57.003 0.264 1
1 542 . 19 1 1 A 50 50 ASP HA H 50 4.170 4.246 -0.076 1
1 543 . 19 1 1 A 50 50 ASP CB C 50 40.569 40.733 -0.164 1
1 546 . 19 1 1 A 50 50 ASP C C 50 178.695 178.496 0.199 1
1 547 . 19 1 1 A 51 51 HIS N N 51 116.759 119.799 -3.040 1
1 548 . 19 1 1 A 51 51 HIS H H 51 8.276 8.629 -0.353 1
1 549 . 19 1 1 A 51 51 HIS CA C 51 59.374 59.285 0.089 1
1 550 . 19 1 1 A 51 51 HIS HA H 51 3.986 4.067 -0.081 1
1 551 . 19 1 1 A 51 51 HIS CB C 51 28.534 29.912 -1.378 1
1 558 . 19 1 1 A 51 51 HIS C C 51 177.514 176.391 1.123 1
1 559 . 19 1 1 A 52 52 TYR N N 52 121.013 120.157 0.856 1
1 560 . 19 1 1 A 52 52 TYR H H 52 8.364 7.995 0.369 1
1 561 . 19 1 1 A 52 52 TYR CA C 52 62.363 61.562 0.801 1
1 562 . 19 1 1 A 52 52 TYR HA H 52 3.951 4.038 -0.087 1
1 563 . 19 1 1 A 52 52 TYR CB C 52 39.610 38.772 0.838 1
1 574 . 19 1 1 A 52 52 TYR C C 52 177.492 177.302 0.190 1
1 575 . 19 1 1 A 53 53 LEU N N 53 117.616 119.411 -1.795 1
1 576 . 19 1 1 A 53 53 LEU H H 53 8.354 8.234 0.120 1
1 577 . 19 1 1 A 53 53 LEU CA C 53 57.261 56.603 0.658 1
1 578 . 19 1 1 A 53 53 LEU HA H 53 3.985 4.317 -0.332 1
1 579 . 19 1 1 A 53 53 LEU CB C 53 41.403 41.739 -0.336 1
1 592 . 19 1 1 A 53 53 LEU C C 53 178.921 178.100 0.821 1
1 593 . 19 1 1 A 54 54 LYS N N 54 116.037 119.107 -3.070 1
1 594 . 19 1 1 A 54 54 LYS H H 54 7.468 7.728 -0.260 1
1 595 . 19 1 1 A 54 54 LYS CA C 54 57.859 57.522 0.337 1
1 596 . 19 1 1 A 54 54 LYS HA H 54 4.006 4.363 -0.357 1
1 597 . 19 1 1 A 54 54 LYS CB C 54 32.668 33.247 -0.579 1
1 609 . 19 1 1 A 54 54 LYS C C 54 177.318 178.251 -0.933 1
1 610 . 19 1 1 A 55 55 THR N N 55 111.885 115.374 -3.489 1
1 611 . 19 1 1 A 55 55 THR H H 55 7.259 7.472 -0.213 1
1 612 . 19 1 1 A 55 55 THR CA C 55 63.882 65.655 -1.773 1
1 613 . 19 1 1 A 55 55 THR HA H 55 3.864 3.931 -0.067 1
1 614 . 19 1 1 A 55 55 THR CB C 55 69.759 69.039 0.720 1
1 620 . 19 1 1 A 55 55 THR C C 55 174.423 175.863 -1.440 1
1 621 . 19 1 1 A 56 56 TYR N N 56 120.015 119.032 0.983 1
1 622 . 19 1 1 A 56 56 TYR H H 56 7.767 7.960 -0.193 1
1 623 . 19 1 1 A 56 56 TYR CA C 56 58.699 60.730 -2.031 1
1 624 . 19 1 1 A 56 56 TYR HA H 56 4.388 4.137 0.251 1
1 625 . 19 1 1 A 56 56 TYR CB C 56 38.568 38.173 0.395 1
1 636 . 19 1 1 A 56 56 TYR C C 56 175.031 178.170 -3.139 1
1 637 . 19 1 1 A 57 57 ILE N N 57 121.611 119.678 1.933 1
1 638 . 19 1 1 A 57 57 ILE H H 57 7.376 8.127 -0.751 1
1 639 . 19 1 1 A 57 57 ILE CA C 57 60.560 65.157 -4.597 1
1 640 . 19 1 1 A 57 57 ILE HA H 57 4.155 3.754 0.401 1
1 641 . 19 1 1 A 57 57 ILE CB C 57 38.585 38.027 0.558 1
1 654 . 19 1 1 A 57 57 ILE C C 57 175.122 177.646 -2.524 1
1 1 . 20 1 1 A 3 3 SER CA C 3 58.574 57.918 0.656 1
1 2 . 20 1 1 A 3 3 SER HA H 3 4.477 4.481 -0.004 1
1 3 . 20 1 1 A 3 3 SER CB C 3 63.686 63.490 0.196 1
1 5 . 20 1 1 A 3 3 SER C C 3 175.067 174.473 0.594 1
1 6 . 20 1 1 A 4 4 GLY N N 4 111.014 111.282 -0.268 1
1 7 . 20 1 1 A 4 4 GLY H H 4 8.466 8.540 -0.074 1
1 8 . 20 1 1 A 4 4 GLY CA C 4 45.338 45.069 0.269 1
1 9 . 20 1 1 A 4 4 GLY HA2 H 4 4.006 4.080 -0.074 1
1 10 . 20 1 1 A 4 4 GLY C C 4 174.344 175.122 -0.778 1
1 11 . 20 1 1 A 5 5 SER N N 5 115.891 116.335 -0.444 1
1 12 . 20 1 1 A 5 5 SER H H 5 8.294 8.302 -0.008 1
1 13 . 20 1 1 A 5 5 SER CA C 5 58.277 59.056 -0.779 1
1 14 . 20 1 1 A 5 5 SER HA H 5 4.499 4.168 0.331 1
1 15 . 20 1 1 A 5 5 SER CB C 5 63.850 60.934 2.916 1
1 17 . 20 1 1 A 5 5 SER C C 5 174.840 173.400 1.440 1
1 18 . 20 1 1 A 6 6 SER N N 6 117.946 117.081 0.865 1
1 19 . 20 1 1 A 6 6 SER H H 6 8.479 8.021 0.458 1
1 20 . 20 1 1 A 6 6 SER CA C 6 58.632 58.023 0.609 1
1 21 . 20 1 1 A 6 6 SER HA H 6 4.427 4.751 -0.324 1
1 22 . 20 1 1 A 6 6 SER CB C 6 63.855 63.725 0.130 1
1 24 . 20 1 1 A 6 6 SER C C 6 174.852 174.064 0.788 1
1 25 . 20 1 1 A 7 7 GLY N N 7 110.490 112.450 -1.960 1
1 26 . 20 1 1 A 7 7 GLY H H 7 8.354 8.285 0.069 1
1 27 . 20 1 1 A 7 7 GLY CA C 7 45.231 45.862 -0.631 1
1 28 . 20 1 1 A 7 7 GLY HA2 H 7 3.836 4.262 -0.426 1
1 29 . 20 1 1 A 7 7 GLY HA3 H 7 3.898 4.272 -0.374 1
1 30 . 20 1 1 A 7 7 GLY C C 7 173.829 174.770 -0.941 1
1 31 . 20 1 1 A 8 8 PHE N N 8 119.865 123.502 -3.637 1
1 32 . 20 1 1 A 8 8 PHE H H 8 8.094 9.601 -1.507 1
1 33 . 20 1 1 A 8 8 PHE CA C 8 57.501 59.706 -2.205 1
1 34 . 20 1 1 A 8 8 PHE HA H 8 4.666 4.172 0.494 1
1 35 . 20 1 1 A 8 8 PHE CB C 8 39.743 38.612 1.131 1
1 48 . 20 1 1 A 8 8 PHE C C 8 175.564 177.638 -2.074 1
1 49 . 20 1 1 A 9 9 ASP N N 9 122.084 119.885 2.199 1
1 50 . 20 1 1 A 9 9 ASP H H 9 8.516 7.970 0.546 1
1 51 . 20 1 1 A 9 9 ASP CA C 9 54.372 57.137 -2.765 1
1 52 . 20 1 1 A 9 9 ASP HA H 9 4.599 4.561 0.038 1
1 53 . 20 1 1 A 9 9 ASP CB C 9 41.429 41.381 0.048 1
1 56 . 20 1 1 A 9 9 ASP C C 9 176.168 176.750 -0.582 1
1 57 . 20 1 1 A 10 10 GLU N N 10 121.747 119.018 2.729 1
1 58 . 20 1 1 A 10 10 GLU H H 10 8.489 7.953 0.536 1
1 59 . 20 1 1 A 10 10 GLU CA C 10 56.705 56.182 0.523 1
1 60 . 20 1 1 A 10 10 GLU HA H 10 4.359 4.376 -0.017 1
1 61 . 20 1 1 A 10 10 GLU CB C 10 30.039 29.311 0.728 1
1 67 . 20 1 1 A 10 10 GLU C C 10 176.584 176.349 0.235 1
1 68 . 20 1 1 A 11 11 ASN N N 11 119.867 125.923 -6.056 1
1 69 . 20 1 1 A 11 11 ASN H H 11 8.479 8.298 0.181 1
1 70 . 20 1 1 A 11 11 ASN CA C 11 53.332 54.873 -1.541 1
1 71 . 20 1 1 A 11 11 ASN HA H 11 4.791 4.955 -0.164 1
1 72 . 20 1 1 A 11 11 ASN CB C 11 38.906 40.350 -1.444 1
1 78 . 20 1 1 A 11 11 ASN C C 11 175.284 175.955 -0.671 1
1 79 . 20 1 1 A 12 12 TRP N N 12 124.246 118.636 5.610 1
1 80 . 20 1 1 A 12 12 TRP H H 12 8.819 8.006 0.813 1
1 81 . 20 1 1 A 12 12 TRP CA C 12 57.447 57.079 0.368 1
1 82 . 20 1 1 A 12 12 TRP HA H 12 4.338 4.729 -0.391 1
1 83 . 20 1 1 A 12 12 TRP CB C 12 29.096 30.559 -1.463 1
1 98 . 20 1 1 A 12 12 TRP C C 12 177.403 176.697 0.706 1
1 99 . 20 1 1 A 13 13 GLY N N 13 112.578 108.525 4.053 1
1 100 . 20 1 1 A 13 13 GLY H H 13 9.662 8.858 0.804 1
1 101 . 20 1 1 A 13 13 GLY CA C 13 44.383 44.538 -0.155 1
1 102 . 20 1 1 A 13 13 GLY HA2 H 13 4.315 4.451 -0.136 1
1 103 . 20 1 1 A 13 13 GLY HA3 H 13 3.989 4.486 -0.497 1
1 104 . 20 1 1 A 13 13 GLY C C 13 174.443 174.983 -0.540 1
1 105 . 20 1 1 A 14 14 ALA N N 14 124.409 125.774 -1.365 1
1 106 . 20 1 1 A 14 14 ALA H H 14 8.805 9.275 -0.470 1
1 107 . 20 1 1 A 14 14 ALA CA C 14 55.635 55.463 0.172 1
1 108 . 20 1 1 A 14 14 ALA HA H 14 4.225 4.051 0.174 1
1 109 . 20 1 1 A 14 14 ALA CB C 14 18.565 18.413 0.152 1
1 113 . 20 1 1 A 14 14 ALA C C 14 180.546 179.513 1.033 1
1 114 . 20 1 1 A 15 15 ASP N N 15 115.685 118.823 -3.138 1
1 115 . 20 1 1 A 15 15 ASP H H 15 8.825 8.235 0.590 1
1 116 . 20 1 1 A 15 15 ASP CA C 15 56.775 57.477 -0.702 1
1 117 . 20 1 1 A 15 15 ASP HA H 15 4.416 4.346 0.070 1
1 118 . 20 1 1 A 15 15 ASP CB C 15 39.188 40.605 -1.417 1
1 121 . 20 1 1 A 15 15 ASP C C 15 178.981 178.717 0.264 1
1 122 . 20 1 1 A 16 16 GLU N N 16 121.445 117.794 3.651 1
1 123 . 20 1 1 A 16 16 GLU H H 16 7.772 8.564 -0.792 1
1 124 . 20 1 1 A 16 16 GLU CA C 16 59.380 58.575 0.805 1
1 125 . 20 1 1 A 16 16 GLU HA H 16 4.203 4.223 -0.020 1
1 126 . 20 1 1 A 16 16 GLU CB C 16 30.556 28.148 2.408 1
1 132 . 20 1 1 A 16 16 GLU C C 16 178.517 178.525 -0.008 1
1 133 . 20 1 1 A 17 17 GLU N N 17 118.709 119.518 -0.809 1
1 134 . 20 1 1 A 17 17 GLU H H 17 8.363 8.791 -0.428 1
1 135 . 20 1 1 A 17 17 GLU CA C 17 59.820 59.453 0.367 1
1 136 . 20 1 1 A 17 17 GLU HA H 17 4.429 4.462 -0.033 1
1 137 . 20 1 1 A 17 17 GLU CB C 17 29.774 29.660 0.114 1
1 143 . 20 1 1 A 17 17 GLU C C 17 179.029 179.300 -0.271 1
1 144 . 20 1 1 A 18 18 LEU N N 18 118.004 122.507 -4.503 1
1 145 . 20 1 1 A 18 18 LEU H H 18 7.650 8.248 -0.598 1
1 146 . 20 1 1 A 18 18 LEU CA C 18 58.128 57.756 0.372 1
1 147 . 20 1 1 A 18 18 LEU HA H 18 4.212 4.218 -0.006 1
1 148 . 20 1 1 A 18 18 LEU CB C 18 41.700 42.034 -0.334 1
1 161 . 20 1 1 A 18 18 LEU C C 18 179.871 178.486 1.385 1
1 162 . 20 1 1 A 19 19 LEU N N 19 119.600 118.307 1.293 1
1 163 . 20 1 1 A 19 19 LEU H H 19 7.783 8.095 -0.312 1
1 164 . 20 1 1 A 19 19 LEU CA C 19 58.106 58.342 -0.236 1
1 165 . 20 1 1 A 19 19 LEU HA H 19 4.390 4.225 0.165 1
1 166 . 20 1 1 A 19 19 LEU CB C 19 43.169 41.778 1.391 1
1 179 . 20 1 1 A 19 19 LEU C C 19 178.634 179.114 -0.480 1
1 180 . 20 1 1 A 20 20 LEU N N 20 120.243 120.106 0.137 1
1 181 . 20 1 1 A 20 20 LEU H H 20 8.364 7.811 0.553 1
1 182 . 20 1 1 A 20 20 LEU CA C 20 58.390 58.559 -0.169 1
1 183 . 20 1 1 A 20 20 LEU HA H 20 4.083 4.175 -0.092 1
1 184 . 20 1 1 A 20 20 LEU CB C 20 42.005 41.619 0.386 1
1 197 . 20 1 1 A 20 20 LEU C C 20 178.135 178.773 -0.638 1
1 198 . 20 1 1 A 21 21 ILE N N 21 119.379 119.998 -0.619 1
1 199 . 20 1 1 A 21 21 ILE H H 21 8.133 8.340 -0.207 1
1 200 . 20 1 1 A 21 21 ILE CA C 21 64.962 65.636 -0.674 1
1 201 . 20 1 1 A 21 21 ILE HA H 21 3.685 3.579 0.106 1
1 202 . 20 1 1 A 21 21 ILE CB C 21 37.895 37.826 0.069 1
1 215 . 20 1 1 A 21 21 ILE C C 21 178.423 177.617 0.806 1
1 216 . 20 1 1 A 22 22 ASP N N 22 120.464 120.619 -0.155 1
1 217 . 20 1 1 A 22 22 ASP H H 22 8.203 8.236 -0.033 1
1 218 . 20 1 1 A 22 22 ASP CA C 22 57.332 57.961 -0.629 1
1 219 . 20 1 1 A 22 22 ASP HA H 22 4.400 4.311 0.089 1
1 220 . 20 1 1 A 22 22 ASP CB C 22 41.023 41.841 -0.818 1
1 223 . 20 1 1 A 22 22 ASP C C 22 179.117 178.150 0.967 1
1 224 . 20 1 1 A 23 23 ALA N N 23 123.634 120.863 2.771 1
1 225 . 20 1 1 A 23 23 ALA H H 23 8.819 8.182 0.637 1
1 226 . 20 1 1 A 23 23 ALA CA C 23 55.058 54.736 0.322 1
1 227 . 20 1 1 A 23 23 ALA HA H 23 3.050 3.648 -0.598 1
1 228 . 20 1 1 A 23 23 ALA CB C 23 20.405 18.431 1.974 1
1 232 . 20 1 1 A 23 23 ALA C C 23 179.042 179.327 -0.285 1
1 233 . 20 1 1 A 24 24 CYS N N 24 115.941 115.797 0.144 1
1 234 . 20 1 1 A 24 24 CYS H H 24 8.227 8.567 -0.340 1
1 235 . 20 1 1 A 24 24 CYS CA C 24 63.657 61.243 2.414 1
1 236 . 20 1 1 A 24 24 CYS HA H 24 3.524 3.821 -0.297 1
1 237 . 20 1 1 A 24 24 CYS CB C 24 27.165 27.129 0.036 1
1 240 . 20 1 1 A 24 24 CYS C C 24 177.855 176.933 0.922 1
1 241 . 20 1 1 A 25 25 GLU N N 25 118.624 118.081 0.543 1
1 242 . 20 1 1 A 25 25 GLU H H 25 8.262 7.984 0.278 1
1 243 . 20 1 1 A 25 25 GLU CA C 25 58.829 59.287 -0.458 1
1 244 . 20 1 1 A 25 25 GLU HA H 25 3.974 4.080 -0.106 1
1 245 . 20 1 1 A 25 25 GLU CB C 25 29.896 29.536 0.360 1
1 251 . 20 1 1 A 25 25 GLU C C 25 178.082 178.930 -0.848 1
1 252 . 20 1 1 A 26 26 THR N N 26 113.708 116.868 -3.160 1
1 253 . 20 1 1 A 26 26 THR H H 26 8.046 8.477 -0.431 1
1 254 . 20 1 1 A 26 26 THR CA C 26 65.448 66.724 -1.276 1
1 255 . 20 1 1 A 26 26 THR HA H 26 4.003 3.852 0.151 1
1 256 . 20 1 1 A 26 26 THR CB C 26 69.475 68.500 0.975 1
1 262 . 20 1 1 A 26 26 THR C C 26 175.986 176.124 -0.138 1
1 263 . 20 1 1 A 27 27 LEU N N 27 119.789 118.564 1.225 1
1 264 . 20 1 1 A 27 27 LEU H H 27 8.609 7.561 1.048 1
1 265 . 20 1 1 A 27 27 LEU CA C 27 55.566 56.495 -0.929 1
1 266 . 20 1 1 A 27 27 LEU HA H 27 4.238 3.928 0.310 1
1 267 . 20 1 1 A 27 27 LEU CB C 27 42.130 42.468 -0.338 1
1 280 . 20 1 1 A 27 27 LEU C C 27 179.075 177.476 1.599 1
1 281 . 20 1 1 A 28 28 GLY N N 28 107.009 105.931 1.078 1
1 282 . 20 1 1 A 28 28 GLY H H 28 6.965 8.027 -1.062 1
1 283 . 20 1 1 A 28 28 GLY CA C 28 44.545 44.366 0.179 1
1 284 . 20 1 1 A 28 28 GLY HA2 H 28 4.057 3.864 0.193 1
1 285 . 20 1 1 A 28 28 GLY HA3 H 28 3.664 3.899 -0.235 1
1 286 . 20 1 1 A 28 28 GLY C C 28 173.046 174.939 -1.893 1
1 287 . 20 1 1 A 29 29 LEU N N 29 117.364 122.185 -4.821 1
1 288 . 20 1 1 A 29 29 LEU H H 29 7.960 8.494 -0.534 1
1 289 . 20 1 1 A 29 29 LEU CA C 29 54.626 56.510 -1.884 1
1 290 . 20 1 1 A 29 29 LEU HA H 29 3.487 3.142 0.345 1
1 291 . 20 1 1 A 29 29 LEU CB C 29 40.949 40.865 0.084 1
1 304 . 20 1 1 A 29 29 LEU C C 29 177.460 178.741 -1.281 1
1 305 . 20 1 1 A 30 30 GLY N N 30 106.469 106.279 0.190 1
1 306 . 20 1 1 A 30 30 GLY H H 30 7.503 7.910 -0.407 1
1 307 . 20 1 1 A 30 30 GLY CA C 30 46.003 46.875 -0.872 1
1 308 . 20 1 1 A 30 30 GLY HA2 H 30 3.781 3.853 -0.072 1
1 309 . 20 1 1 A 30 30 GLY HA3 H 30 3.638 3.859 -0.221 1
1 310 . 20 1 1 A 30 30 GLY C C 30 174.269 174.504 -0.235 1
1 311 . 20 1 1 A 31 31 ASN N N 31 117.981 116.900 1.081 1
1 312 . 20 1 1 A 31 31 ASN H H 31 7.643 7.451 0.192 1
1 313 . 20 1 1 A 31 31 ASN CA C 31 52.135 51.745 0.390 1
1 314 . 20 1 1 A 31 31 ASN HA H 31 4.899 4.953 -0.054 1
1 315 . 20 1 1 A 31 31 ASN CB C 31 38.492 38.691 -0.199 1
1 321 . 20 1 1 A 31 31 ASN C C 31 176.436 175.345 1.091 1
1 322 . 20 1 1 A 32 32 TRP N N 32 124.932 124.004 0.928 1
1 323 . 20 1 1 A 32 32 TRP H H 32 8.638 8.222 0.416 1
1 324 . 20 1 1 A 32 32 TRP CA C 32 60.578 59.858 0.720 1
1 325 . 20 1 1 A 32 32 TRP HA H 32 4.257 4.259 -0.002 1
1 326 . 20 1 1 A 32 32 TRP CB C 32 29.185 29.203 -0.018 1
1 341 . 20 1 1 A 32 32 TRP C C 32 177.477 178.522 -1.045 1
1 342 . 20 1 1 A 33 33 ALA N N 33 123.791 122.033 1.758 1
1 343 . 20 1 1 A 33 33 ALA H H 33 8.522 8.315 0.207 1
1 344 . 20 1 1 A 33 33 ALA CA C 33 55.609 55.376 0.233 1
1 345 . 20 1 1 A 33 33 ALA HA H 33 4.245 4.152 0.093 1
1 346 . 20 1 1 A 33 33 ALA CB C 33 17.931 18.647 -0.716 1
1 350 . 20 1 1 A 33 33 ALA C C 33 179.868 179.677 0.191 1
1 351 . 20 1 1 A 34 34 ASP N N 34 118.553 117.843 0.710 1
1 352 . 20 1 1 A 34 34 ASP H H 34 7.463 7.661 -0.198 1
1 353 . 20 1 1 A 34 34 ASP CA C 34 56.937 57.090 -0.153 1
1 354 . 20 1 1 A 34 34 ASP HA H 34 4.378 4.566 -0.188 1
1 355 . 20 1 1 A 34 34 ASP CB C 34 40.089 40.791 -0.702 1
1 358 . 20 1 1 A 34 34 ASP C C 34 179.385 178.890 0.495 1
1 359 . 20 1 1 A 35 35 ILE N N 35 121.343 120.034 1.309 1
1 360 . 20 1 1 A 35 35 ILE H H 35 7.308 7.676 -0.368 1
1 361 . 20 1 1 A 35 35 ILE CA C 35 64.900 64.834 0.066 1
1 362 . 20 1 1 A 35 35 ILE HA H 35 3.528 4.198 -0.670 1
1 363 . 20 1 1 A 35 35 ILE CB C 35 37.842 37.073 0.769 1
1 376 . 20 1 1 A 35 35 ILE C C 35 176.832 178.093 -1.261 1
1 377 . 20 1 1 A 36 36 ALA N N 36 122.328 122.077 0.251 1
1 378 . 20 1 1 A 36 36 ALA H H 36 8.446 8.911 -0.465 1
1 379 . 20 1 1 A 36 36 ALA CA C 36 55.724 56.035 -0.311 1
1 380 . 20 1 1 A 36 36 ALA HA H 36 4.281 4.130 0.151 1
1 381 . 20 1 1 A 36 36 ALA CB C 36 17.153 18.324 -1.171 1
1 385 . 20 1 1 A 36 36 ALA C C 36 181.002 179.207 1.795 1
1 386 . 20 1 1 A 37 37 ASP N N 37 119.092 118.606 0.486 1
1 387 . 20 1 1 A 37 37 ASP H H 37 7.997 8.184 -0.187 1
1 388 . 20 1 1 A 37 37 ASP CA C 37 57.105 56.945 0.160 1
1 389 . 20 1 1 A 37 37 ASP HA H 37 4.392 4.460 -0.068 1
1 390 . 20 1 1 A 37 37 ASP CB C 37 40.808 40.741 0.067 1
1 393 . 20 1 1 A 37 37 ASP C C 37 177.292 177.997 -0.705 1
1 394 . 20 1 1 A 38 38 TYR N N 38 121.825 120.982 0.843 1
1 395 . 20 1 1 A 38 38 TYR H H 38 7.648 7.975 -0.327 1
1 396 . 20 1 1 A 38 38 TYR CA C 38 60.838 60.755 0.083 1
1 397 . 20 1 1 A 38 38 TYR HA H 38 4.046 4.201 -0.155 1
1 398 . 20 1 1 A 38 38 TYR CB C 38 39.411 38.915 0.496 1
1 409 . 20 1 1 A 38 38 TYR C C 38 177.306 177.343 -0.037 1
1 410 . 20 1 1 A 39 39 VAL N N 39 118.437 118.942 -0.505 1
1 411 . 20 1 1 A 39 39 VAL H H 39 8.306 8.544 -0.238 1
1 412 . 20 1 1 A 39 39 VAL CA C 39 65.398 64.739 0.659 1
1 413 . 20 1 1 A 39 39 VAL HA H 39 3.707 4.024 -0.317 1
1 414 . 20 1 1 A 39 39 VAL CB C 39 32.833 32.105 0.728 1
1 424 . 20 1 1 A 39 39 VAL C C 39 177.244 177.074 0.170 1
1 425 . 20 1 1 A 40 40 GLY N N 40 105.738 109.256 -3.518 1
1 426 . 20 1 1 A 40 40 GLY H H 40 8.117 8.019 0.098 1
1 427 . 20 1 1 A 40 40 GLY CA C 40 45.890 46.532 -0.642 1
1 428 . 20 1 1 A 40 40 GLY HA2 H 40 3.896 3.879 0.017 1
1 429 . 20 1 1 A 40 40 GLY HA3 H 40 3.694 3.890 -0.196 1
1 430 . 20 1 1 A 40 40 GLY C C 40 173.930 174.937 -1.007 1
1 431 . 20 1 1 A 41 41 ASN N N 41 116.713 120.184 -3.471 1
1 432 . 20 1 1 A 41 41 ASN H H 41 8.620 9.032 -0.412 1
1 433 . 20 1 1 A 41 41 ASN CA C 41 54.192 54.428 -0.236 1
1 434 . 20 1 1 A 41 41 ASN HA H 41 4.253 4.291 -0.038 1
1 435 . 20 1 1 A 41 41 ASN CB C 41 38.370 36.782 1.588 1
1 441 . 20 1 1 A 41 41 ASN C C 41 173.935 174.503 -0.568 1
1 442 . 20 1 1 A 42 42 ALA N N 42 115.074 113.230 1.844 1
1 443 . 20 1 1 A 42 42 ALA H H 42 8.425 8.220 0.205 1
1 444 . 20 1 1 A 42 42 ALA CA C 42 52.968 53.438 -0.470 1
1 445 . 20 1 1 A 42 42 ALA HA H 42 3.876 3.827 0.049 1
1 446 . 20 1 1 A 42 42 ALA CB C 42 17.871 17.465 0.406 1
1 450 . 20 1 1 A 42 42 ALA C C 42 177.531 176.053 1.478 1
1 451 . 20 1 1 A 43 43 ARG N N 43 119.427 116.089 3.338 1
1 452 . 20 1 1 A 43 43 ARG H H 43 7.773 7.411 0.362 1
1 453 . 20 1 1 A 43 43 ARG CA C 43 54.411 53.993 0.418 1
1 454 . 20 1 1 A 43 43 ARG HA H 43 4.447 4.933 -0.486 1
1 455 . 20 1 1 A 43 43 ARG CB C 43 30.954 33.829 -2.875 1
1 466 . 20 1 1 A 43 43 ARG C C 43 177.734 174.275 3.459 1
1 467 . 20 1 1 A 44 44 THR N N 44 113.165 113.887 -0.722 1
1 468 . 20 1 1 A 44 44 THR H H 44 8.918 8.622 0.296 1
1 469 . 20 1 1 A 44 44 THR CA C 44 60.337 60.607 -0.270 1
1 470 . 20 1 1 A 44 44 THR HA H 44 4.625 4.908 -0.283 1
1 471 . 20 1 1 A 44 44 THR CB C 44 72.316 70.112 2.204 1
1 477 . 20 1 1 A 44 44 THR C C 44 177.134 174.448 2.686 1
1 478 . 20 1 1 A 45 45 LYS N N 45 121.142 124.860 -3.718 1
1 479 . 20 1 1 A 45 45 LYS H H 45 9.432 8.825 0.607 1
1 480 . 20 1 1 A 45 45 LYS CA C 45 59.938 59.250 0.688 1
1 481 . 20 1 1 A 45 45 LYS HA H 45 4.137 4.136 0.001 1
1 482 . 20 1 1 A 45 45 LYS CB C 45 32.188 31.999 0.189 1
1 494 . 20 1 1 A 45 45 LYS C C 45 177.330 178.025 -0.695 1
1 495 . 20 1 1 A 46 46 GLU N N 46 120.446 119.798 0.648 1
1 496 . 20 1 1 A 46 46 GLU H H 46 8.577 8.763 -0.186 1
1 497 . 20 1 1 A 46 46 GLU CA C 46 61.051 59.588 1.463 1
1 498 . 20 1 1 A 46 46 GLU HA H 46 3.716 3.883 -0.167 1
1 499 . 20 1 1 A 46 46 GLU CB C 46 28.270 29.288 -1.018 1
1 505 . 20 1 1 A 46 46 GLU C C 46 178.200 179.083 -0.883 1
1 506 . 20 1 1 A 47 47 GLU N N 47 119.411 118.398 1.013 1
1 507 . 20 1 1 A 47 47 GLU H H 47 7.874 8.340 -0.466 1
1 508 . 20 1 1 A 47 47 GLU CA C 47 59.209 59.083 0.126 1
1 509 . 20 1 1 A 47 47 GLU HA H 47 4.139 4.263 -0.124 1
1 510 . 20 1 1 A 47 47 GLU CB C 47 30.970 30.306 0.664 1
1 516 . 20 1 1 A 47 47 GLU C C 47 180.380 179.024 1.356 1
1 517 . 20 1 1 A 48 48 CYS N N 48 117.778 118.928 -1.150 1
1 518 . 20 1 1 A 48 48 CYS H H 48 8.354 8.654 -0.300 1
1 519 . 20 1 1 A 48 48 CYS CA C 48 65.002 63.288 1.714 1
1 520 . 20 1 1 A 48 48 CYS HA H 48 4.331 4.460 -0.129 1
1 521 . 20 1 1 A 48 48 CYS CB C 48 27.262 27.313 -0.051 1
1 524 . 20 1 1 A 48 48 CYS C C 48 174.443 177.159 -2.716 1
1 525 . 20 1 1 A 49 49 ARG N N 49 121.012 121.412 -0.400 1
1 526 . 20 1 1 A 49 49 ARG H H 49 7.364 7.620 -0.256 1
1 527 . 20 1 1 A 49 49 ARG CA C 49 58.352 58.134 0.218 1
1 528 . 20 1 1 A 49 49 ARG HA H 49 1.940 1.329 0.611 1
1 529 . 20 1 1 A 49 49 ARG CB C 49 29.691 29.029 0.662 1
1 538 . 20 1 1 A 49 49 ARG C C 49 177.306 177.410 -0.104 1
1 539 . 20 1 1 A 50 50 ASP N N 50 116.931 118.843 -1.912 1
1 540 . 20 1 1 A 50 50 ASP H H 50 8.183 7.987 0.196 1
1 541 . 20 1 1 A 50 50 ASP CA C 50 57.267 57.260 0.007 1
1 542 . 20 1 1 A 50 50 ASP HA H 50 4.170 4.216 -0.046 1
1 543 . 20 1 1 A 50 50 ASP CB C 50 40.569 41.799 -1.230 1
1 546 . 20 1 1 A 50 50 ASP C C 50 178.695 178.284 0.411 1
1 547 . 20 1 1 A 51 51 HIS N N 51 116.759 119.701 -2.942 1
1 548 . 20 1 1 A 51 51 HIS H H 51 8.276 8.531 -0.255 1
1 549 . 20 1 1 A 51 51 HIS CA C 51 59.374 59.212 0.162 1
1 550 . 20 1 1 A 51 51 HIS HA H 51 3.986 4.096 -0.110 1
1 551 . 20 1 1 A 51 51 HIS CB C 51 28.534 29.753 -1.219 1
1 558 . 20 1 1 A 51 51 HIS C C 51 177.514 176.693 0.821 1
1 559 . 20 1 1 A 52 52 TYR N N 52 121.013 120.173 0.840 1
1 560 . 20 1 1 A 52 52 TYR H H 52 8.364 7.617 0.747 1
1 561 . 20 1 1 A 52 52 TYR CA C 52 62.363 61.304 1.059 1
1 562 . 20 1 1 A 52 52 TYR HA H 52 3.951 3.958 -0.007 1
1 563 . 20 1 1 A 52 52 TYR CB C 52 39.610 38.886 0.724 1
1 574 . 20 1 1 A 52 52 TYR C C 52 177.492 177.398 0.094 1
1 575 . 20 1 1 A 53 53 LEU N N 53 117.616 119.474 -1.858 1
1 576 . 20 1 1 A 53 53 LEU H H 53 8.354 8.233 0.121 1
1 577 . 20 1 1 A 53 53 LEU CA C 53 57.261 55.967 1.294 1
1 578 . 20 1 1 A 53 53 LEU HA H 53 3.985 4.396 -0.411 1
1 579 . 20 1 1 A 53 53 LEU CB C 53 41.403 41.968 -0.565 1
1 592 . 20 1 1 A 53 53 LEU C C 53 178.921 177.685 1.236 1
1 593 . 20 1 1 A 54 54 LYS N N 54 116.037 119.053 -3.016 1
1 594 . 20 1 1 A 54 54 LYS H H 54 7.468 7.782 -0.314 1
1 595 . 20 1 1 A 54 54 LYS CA C 54 57.859 56.382 1.477 1
1 596 . 20 1 1 A 54 54 LYS HA H 54 4.006 4.397 -0.391 1
1 597 . 20 1 1 A 54 54 LYS CB C 54 32.668 33.085 -0.417 1
1 609 . 20 1 1 A 54 54 LYS C C 54 177.318 176.862 0.456 1
1 610 . 20 1 1 A 55 55 THR N N 55 111.885 112.334 -0.449 1
1 611 . 20 1 1 A 55 55 THR H H 55 7.259 7.130 0.129 1
1 612 . 20 1 1 A 55 55 THR CA C 55 63.882 64.509 -0.627 1
1 613 . 20 1 1 A 55 55 THR HA H 55 3.864 4.117 -0.253 1
1 614 . 20 1 1 A 55 55 THR CB C 55 69.759 69.252 0.507 1
1 620 . 20 1 1 A 55 55 THR C C 55 174.423 175.397 -0.974 1
1 621 . 20 1 1 A 56 56 TYR N N 56 120.015 118.895 1.120 1
1 622 . 20 1 1 A 56 56 TYR H H 56 7.767 8.097 -0.330 1
1 623 . 20 1 1 A 56 56 TYR CA C 56 58.699 60.790 -2.091 1
1 624 . 20 1 1 A 56 56 TYR HA H 56 4.388 4.128 0.260 1
1 625 . 20 1 1 A 56 56 TYR CB C 56 38.568 37.889 0.679 1
1 636 . 20 1 1 A 56 56 TYR C C 56 175.031 178.032 -3.001 1
1 637 . 20 1 1 A 57 57 ILE N N 57 121.611 119.942 1.669 1
1 638 . 20 1 1 A 57 57 ILE H H 57 7.376 8.017 -0.641 1
1 639 . 20 1 1 A 57 57 ILE CA C 57 60.560 64.885 -4.325 1
1 640 . 20 1 1 A 57 57 ILE HA H 57 4.155 3.677 0.478 1
1 641 . 20 1 1 A 57 57 ILE CB C 57 38.585 38.131 0.454 1
1 654 . 20 1 1 A 57 57 ILE C C 57 175.122 178.251 -3.129 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 55 1.325 1
2 1 1 1 "RMS(OBS, PRED)" CA 55 1.108 1
3 1 1 1 "RMS(OBS, PRED)" CB 49 1.126 1
4 1 1 1 "RMS(OBS, PRED)" H 54 0.468 1
5 1 1 1 "RMS(OBS, PRED)" HA 60 0.281 1
6 1 1 1 "RMS(OBS, PRED)" N 54 2.251 1
7 1 2 1 "RMS(OBS, PRED)" C 55 1.301 1
8 1 2 1 "RMS(OBS, PRED)" CA 55 1.125 1
9 1 2 1 "RMS(OBS, PRED)" CB 49 1.151 1
10 1 2 1 "RMS(OBS, PRED)" H 54 0.482 1
11 1 2 1 "RMS(OBS, PRED)" HA 60 0.285 1
12 1 2 1 "RMS(OBS, PRED)" N 54 2.356 1
13 1 3 1 "RMS(OBS, PRED)" C 55 1.334 1
14 1 3 1 "RMS(OBS, PRED)" CA 55 1.213 1
15 1 3 1 "RMS(OBS, PRED)" CB 49 1.129 1
16 1 3 1 "RMS(OBS, PRED)" H 54 0.507 1
17 1 3 1 "RMS(OBS, PRED)" HA 60 0.294 1
18 1 3 1 "RMS(OBS, PRED)" N 54 2.319 1
19 1 4 1 "RMS(OBS, PRED)" C 55 1.276 1
20 1 4 1 "RMS(OBS, PRED)" CA 55 1.134 1
21 1 4 1 "RMS(OBS, PRED)" CB 49 1.037 1
22 1 4 1 "RMS(OBS, PRED)" H 54 0.471 1
23 1 4 1 "RMS(OBS, PRED)" HA 60 0.236 1
24 1 4 1 "RMS(OBS, PRED)" N 54 2.429 1
25 1 5 1 "RMS(OBS, PRED)" C 55 1.210 1
26 1 5 1 "RMS(OBS, PRED)" CA 55 1.166 1
27 1 5 1 "RMS(OBS, PRED)" CB 49 1.057 1
28 1 5 1 "RMS(OBS, PRED)" H 54 0.487 1
29 1 5 1 "RMS(OBS, PRED)" HA 60 0.258 1
30 1 5 1 "RMS(OBS, PRED)" N 54 2.447 1
31 1 6 1 "RMS(OBS, PRED)" C 55 1.259 1
32 1 6 1 "RMS(OBS, PRED)" CA 55 1.159 1
33 1 6 1 "RMS(OBS, PRED)" CB 49 1.216 1
34 1 6 1 "RMS(OBS, PRED)" H 54 0.496 1
35 1 6 1 "RMS(OBS, PRED)" HA 60 0.251 1
36 1 6 1 "RMS(OBS, PRED)" N 54 2.456 1
37 1 7 1 "RMS(OBS, PRED)" C 55 1.216 1
38 1 7 1 "RMS(OBS, PRED)" CA 55 1.169 1
39 1 7 1 "RMS(OBS, PRED)" CB 49 1.082 1
40 1 7 1 "RMS(OBS, PRED)" H 54 0.484 1
41 1 7 1 "RMS(OBS, PRED)" HA 60 0.244 1
42 1 7 1 "RMS(OBS, PRED)" N 54 2.384 1
43 1 8 1 "RMS(OBS, PRED)" C 55 1.308 1
44 1 8 1 "RMS(OBS, PRED)" CA 55 1.101 1
45 1 8 1 "RMS(OBS, PRED)" CB 49 1.044 1
46 1 8 1 "RMS(OBS, PRED)" H 54 0.495 1
47 1 8 1 "RMS(OBS, PRED)" HA 60 0.235 1
48 1 8 1 "RMS(OBS, PRED)" N 54 2.256 1
49 1 9 1 "RMS(OBS, PRED)" C 55 1.250 1
50 1 9 1 "RMS(OBS, PRED)" CA 55 1.043 1
51 1 9 1 "RMS(OBS, PRED)" CB 49 1.144 1
52 1 9 1 "RMS(OBS, PRED)" H 54 0.498 1
53 1 9 1 "RMS(OBS, PRED)" HA 60 0.239 1
54 1 9 1 "RMS(OBS, PRED)" N 54 2.227 1
55 1 10 1 "RMS(OBS, PRED)" C 55 1.314 1
56 1 10 1 "RMS(OBS, PRED)" CA 55 1.175 1
57 1 10 1 "RMS(OBS, PRED)" CB 49 1.211 1
58 1 10 1 "RMS(OBS, PRED)" H 54 0.478 1
59 1 10 1 "RMS(OBS, PRED)" HA 60 0.254 1
60 1 10 1 "RMS(OBS, PRED)" N 54 2.228 1
61 1 11 1 "RMS(OBS, PRED)" C 55 1.237 1
62 1 11 1 "RMS(OBS, PRED)" CA 55 1.084 1
63 1 11 1 "RMS(OBS, PRED)" CB 49 1.053 1
64 1 11 1 "RMS(OBS, PRED)" H 54 0.470 1
65 1 11 1 "RMS(OBS, PRED)" HA 60 0.309 1
66 1 11 1 "RMS(OBS, PRED)" N 54 2.265 1
67 1 12 1 "RMS(OBS, PRED)" C 55 1.250 1
68 1 12 1 "RMS(OBS, PRED)" CA 55 1.039 1
69 1 12 1 "RMS(OBS, PRED)" CB 49 1.057 1
70 1 12 1 "RMS(OBS, PRED)" H 54 0.476 1
71 1 12 1 "RMS(OBS, PRED)" HA 60 0.248 1
72 1 12 1 "RMS(OBS, PRED)" N 54 2.443 1
73 1 13 1 "RMS(OBS, PRED)" C 55 1.270 1
74 1 13 1 "RMS(OBS, PRED)" CA 55 1.196 1
75 1 13 1 "RMS(OBS, PRED)" CB 49 1.298 1
76 1 13 1 "RMS(OBS, PRED)" H 54 0.463 1
77 1 13 1 "RMS(OBS, PRED)" HA 60 0.281 1
78 1 13 1 "RMS(OBS, PRED)" N 54 3.089 1
79 1 14 1 "RMS(OBS, PRED)" C 55 1.297 1
80 1 14 1 "RMS(OBS, PRED)" CA 55 1.243 1
81 1 14 1 "RMS(OBS, PRED)" CB 49 1.270 1
82 1 14 1 "RMS(OBS, PRED)" H 54 0.505 1
83 1 14 1 "RMS(OBS, PRED)" HA 60 0.299 1
84 1 14 1 "RMS(OBS, PRED)" N 54 2.397 1
85 1 15 1 "RMS(OBS, PRED)" C 55 1.225 1
86 1 15 1 "RMS(OBS, PRED)" CA 55 1.195 1
87 1 15 1 "RMS(OBS, PRED)" CB 49 1.212 1
88 1 15 1 "RMS(OBS, PRED)" H 54 0.466 1
89 1 15 1 "RMS(OBS, PRED)" HA 60 0.287 1
90 1 15 1 "RMS(OBS, PRED)" N 54 2.401 1
91 1 16 1 "RMS(OBS, PRED)" C 55 1.276 1
92 1 16 1 "RMS(OBS, PRED)" CA 55 1.215 1
93 1 16 1 "RMS(OBS, PRED)" CB 49 1.214 1
94 1 16 1 "RMS(OBS, PRED)" H 54 0.528 1
95 1 16 1 "RMS(OBS, PRED)" HA 60 0.278 1
96 1 16 1 "RMS(OBS, PRED)" N 54 2.453 1
97 1 17 1 "RMS(OBS, PRED)" C 55 1.216 1
98 1 17 1 "RMS(OBS, PRED)" CA 55 1.092 1
99 1 17 1 "RMS(OBS, PRED)" CB 49 1.235 1
100 1 17 1 "RMS(OBS, PRED)" H 54 0.449 1
101 1 17 1 "RMS(OBS, PRED)" HA 60 0.257 1
102 1 17 1 "RMS(OBS, PRED)" N 54 2.290 1
103 1 18 1 "RMS(OBS, PRED)" C 55 1.256 1
104 1 18 1 "RMS(OBS, PRED)" CA 55 1.090 1
105 1 18 1 "RMS(OBS, PRED)" CB 49 1.223 1
106 1 18 1 "RMS(OBS, PRED)" H 54 0.480 1
107 1 18 1 "RMS(OBS, PRED)" HA 60 0.272 1
108 1 18 1 "RMS(OBS, PRED)" N 54 2.497 1
109 1 19 1 "RMS(OBS, PRED)" C 55 1.306 1
110 1 19 1 "RMS(OBS, PRED)" CA 55 1.008 1
111 1 19 1 "RMS(OBS, PRED)" CB 49 1.149 1
112 1 19 1 "RMS(OBS, PRED)" H 54 0.486 1
113 1 19 1 "RMS(OBS, PRED)" HA 60 0.260 1
114 1 19 1 "RMS(OBS, PRED)" N 54 2.233 1
115 1 20 1 "RMS(OBS, PRED)" C 55 1.282 1
116 1 20 1 "RMS(OBS, PRED)" CA 55 1.129 1
117 1 20 1 "RMS(OBS, PRED)" CB 49 1.089 1
118 1 20 1 "RMS(OBS, PRED)" H 54 0.503 1
119 1 20 1 "RMS(OBS, PRED)" HA 60 0.268 1
120 1 20 1 "RMS(OBS, PRED)" N 54 2.385 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 3 3 SER CA C 3 58.574 58.894 -0.320 2
1 2 . 1 1 A 3 3 SER HA H 3 4.477 4.561 -0.084 2
1 3 . 1 1 A 3 3 SER CB C 3 63.686 64.007 -0.321 2
1 5 . 1 1 A 3 3 SER C C 3 175.067 174.460 0.607 2
1 6 . 1 1 A 4 4 GLY N N 4 111.014 110.481 0.533 2
1 7 . 1 1 A 4 4 GLY H H 4 8.466 8.359 0.107 2
1 8 . 1 1 A 4 4 GLY CA C 4 45.338 45.474 -0.136 2
1 9 . 1 1 A 4 4 GLY HA2 H 4 4.006 4.039 -0.033 2
1 10 . 1 1 A 4 4 GLY C C 4 174.344 173.726 0.618 2
1 11 . 1 1 A 5 5 SER N N 5 115.891 117.008 -1.117 2
1 12 . 1 1 A 5 5 SER H H 5 8.294 8.374 -0.080 2
1 13 . 1 1 A 5 5 SER CA C 5 58.277 58.114 0.163 2
1 14 . 1 1 A 5 5 SER HA H 5 4.499 4.652 -0.153 2
1 15 . 1 1 A 5 5 SER CB C 5 63.850 63.979 -0.129 2
1 17 . 1 1 A 5 5 SER C C 5 174.840 173.932 0.908 2
1 18 . 1 1 A 6 6 SER N N 6 117.946 119.449 -1.503 2
1 19 . 1 1 A 6 6 SER H H 6 8.479 8.542 -0.063 2
1 20 . 1 1 A 6 6 SER CA C 6 58.632 58.810 -0.178 2
1 21 . 1 1 A 6 6 SER HA H 6 4.427 4.686 -0.259 2
1 22 . 1 1 A 6 6 SER CB C 6 63.855 64.422 -0.567 2
1 24 . 1 1 A 6 6 SER C C 6 174.852 174.258 0.594 2
1 25 . 1 1 A 7 7 GLY N N 7 110.490 109.792 0.698 2
1 26 . 1 1 A 7 7 GLY H H 7 8.354 8.194 0.160 2
1 27 . 1 1 A 7 7 GLY CA C 7 45.231 45.486 -0.255 2
1 28 . 1 1 A 7 7 GLY HA2 H 7 3.836 3.991 -0.155 2
1 29 . 1 1 A 7 7 GLY HA3 H 7 3.898 4.087 -0.189 2
1 30 . 1 1 A 7 7 GLY C C 7 173.829 173.574 0.255 2
1 31 . 1 1 A 8 8 PHE N N 8 119.865 120.464 -0.599 2
1 32 . 1 1 A 8 8 PHE H H 8 8.094 8.401 -0.307 2
1 33 . 1 1 A 8 8 PHE CA C 8 57.501 57.252 0.249 2
1 34 . 1 1 A 8 8 PHE HA H 8 4.666 4.782 -0.116 2
1 35 . 1 1 A 8 8 PHE CB C 8 39.743 39.675 0.068 2
1 48 . 1 1 A 8 8 PHE C C 8 175.564 174.755 0.809 2
1 49 . 1 1 A 9 9 ASP N N 9 122.084 121.659 0.425 2
1 50 . 1 1 A 9 9 ASP H H 9 8.516 8.559 -0.043 2
1 51 . 1 1 A 9 9 ASP CA C 9 54.372 53.750 0.622 2
1 52 . 1 1 A 9 9 ASP HA H 9 4.599 4.866 -0.267 2
1 53 . 1 1 A 9 9 ASP CB C 9 41.429 41.903 -0.474 2
1 56 . 1 1 A 9 9 ASP C C 9 176.168 175.865 0.303 2
1 57 . 1 1 A 10 10 GLU N N 10 121.747 121.500 0.247 2
1 58 . 1 1 A 10 10 GLU H H 10 8.489 8.658 -0.169 2
1 59 . 1 1 A 10 10 GLU CA C 10 56.705 56.417 0.288 2
1 60 . 1 1 A 10 10 GLU HA H 10 4.359 4.461 -0.102 2
1 61 . 1 1 A 10 10 GLU CB C 10 30.039 28.869 1.170 2
1 67 . 1 1 A 10 10 GLU C C 10 176.584 176.234 0.350 2
1 68 . 1 1 A 11 11 ASN N N 11 119.867 118.917 0.950 2
1 69 . 1 1 A 11 11 ASN H H 11 8.479 8.082 0.397 2
1 70 . 1 1 A 11 11 ASN CA C 11 53.332 53.423 -0.091 2
1 71 . 1 1 A 11 11 ASN HA H 11 4.791 5.060 -0.269 2
1 72 . 1 1 A 11 11 ASN CB C 11 38.906 39.832 -0.926 2
1 78 . 1 1 A 11 11 ASN C C 11 175.284 174.965 0.319 2
1 79 . 1 1 A 12 12 TRP N N 12 124.246 123.286 0.960 2
1 80 . 1 1 A 12 12 TRP H H 12 8.819 8.627 0.192 2
1 81 . 1 1 A 12 12 TRP CA C 12 57.447 56.952 0.496 2
1 82 . 1 1 A 12 12 TRP HA H 12 4.338 4.833 -0.495 2
1 83 . 1 1 A 12 12 TRP CB C 12 29.096 30.773 -1.677 2
1 98 . 1 1 A 12 12 TRP C C 12 177.403 176.667 0.736 2
1 99 . 1 1 A 13 13 GLY N N 13 112.578 108.969 3.609 2
1 100 . 1 1 A 13 13 GLY H H 13 9.662 8.732 0.930 2
1 101 . 1 1 A 13 13 GLY CA C 13 44.383 44.376 0.007 2
1 102 . 1 1 A 13 13 GLY HA2 H 13 4.315 4.316 -0.001 2
1 103 . 1 1 A 13 13 GLY HA3 H 13 3.989 4.348 -0.359 2
1 104 . 1 1 A 13 13 GLY C C 13 174.443 174.943 -0.500 2
1 105 . 1 1 A 14 14 ALA N N 14 124.409 124.347 0.062 2
1 106 . 1 1 A 14 14 ALA H H 14 8.805 9.110 -0.305 2
1 107 . 1 1 A 14 14 ALA CA C 14 55.635 54.881 0.754 2
1 108 . 1 1 A 14 14 ALA HA H 14 4.225 4.077 0.148 2
1 109 . 1 1 A 14 14 ALA CB C 14 18.565 18.399 0.166 2
1 113 . 1 1 A 14 14 ALA C C 14 180.546 179.467 1.079 2
1 114 . 1 1 A 15 15 ASP N N 15 115.685 118.556 -2.871 2
1 115 . 1 1 A 15 15 ASP H H 15 8.825 8.215 0.610 2
1 116 . 1 1 A 15 15 ASP CA C 15 56.775 57.353 -0.578 2
1 117 . 1 1 A 15 15 ASP HA H 15 4.416 4.382 0.034 2
1 118 . 1 1 A 15 15 ASP CB C 15 39.188 40.659 -1.471 2
1 121 . 1 1 A 15 15 ASP C C 15 178.981 178.707 0.274 2
1 122 . 1 1 A 16 16 GLU N N 16 121.445 117.738 3.707 2
1 123 . 1 1 A 16 16 GLU H H 16 7.772 8.542 -0.770 2
1 124 . 1 1 A 16 16 GLU CA C 16 59.380 58.652 0.728 2
1 125 . 1 1 A 16 16 GLU HA H 16 4.203 4.205 -0.002 2
1 126 . 1 1 A 16 16 GLU CB C 16 30.556 28.349 2.207 2
1 132 . 1 1 A 16 16 GLU C C 16 178.517 178.642 -0.125 2
1 133 . 1 1 A 17 17 GLU N N 17 118.709 119.640 -0.931 2
1 134 . 1 1 A 17 17 GLU H H 17 8.363 8.517 -0.154 2
1 135 . 1 1 A 17 17 GLU CA C 17 59.820 59.342 0.478 2
1 136 . 1 1 A 17 17 GLU HA H 17 4.429 4.480 -0.051 2
1 137 . 1 1 A 17 17 GLU CB C 17 29.774 29.827 -0.053 2
1 143 . 1 1 A 17 17 GLU C C 17 179.029 179.197 -0.168 2
1 144 . 1 1 A 18 18 LEU N N 18 118.004 122.324 -4.320 2
1 145 . 1 1 A 18 18 LEU H H 18 7.650 8.163 -0.513 2
1 146 . 1 1 A 18 18 LEU CA C 18 58.128 57.825 0.303 2
1 147 . 1 1 A 18 18 LEU HA H 18 4.212 4.213 -0.001 2
1 148 . 1 1 A 18 18 LEU CB C 18 41.700 41.912 -0.212 2
1 161 . 1 1 A 18 18 LEU C C 18 179.871 178.506 1.365 2
1 162 . 1 1 A 19 19 LEU N N 19 119.600 118.698 0.902 2
1 163 . 1 1 A 19 19 LEU H H 19 7.783 8.191 -0.408 2
1 164 . 1 1 A 19 19 LEU CA C 19 58.106 58.270 -0.164 2
1 165 . 1 1 A 19 19 LEU HA H 19 4.390 4.189 0.201 2
1 166 . 1 1 A 19 19 LEU CB C 19 43.169 41.863 1.306 2
1 179 . 1 1 A 19 19 LEU C C 19 178.634 179.064 -0.430 2
1 180 . 1 1 A 20 20 LEU N N 20 120.243 119.761 0.482 2
1 181 . 1 1 A 20 20 LEU H H 20 8.364 8.035 0.329 2
1 182 . 1 1 A 20 20 LEU CA C 20 58.390 58.742 -0.352 2
1 183 . 1 1 A 20 20 LEU HA H 20 4.083 4.171 -0.088 2
1 184 . 1 1 A 20 20 LEU CB C 20 42.005 42.111 -0.106 2
1 197 . 1 1 A 20 20 LEU C C 20 178.135 178.654 -0.519 2
1 198 . 1 1 A 21 21 ILE N N 21 119.379 119.864 -0.485 2
1 199 . 1 1 A 21 21 ILE H H 21 8.133 8.050 0.083 2
1 200 . 1 1 A 21 21 ILE CA C 21 64.962 65.729 -0.767 2
1 201 . 1 1 A 21 21 ILE HA H 21 3.685 3.590 0.095 2
1 202 . 1 1 A 21 21 ILE CB C 21 37.895 37.998 -0.103 2
1 215 . 1 1 A 21 21 ILE C C 21 178.423 177.813 0.610 2
1 216 . 1 1 A 22 22 ASP N N 22 120.464 120.666 -0.202 2
1 217 . 1 1 A 22 22 ASP H H 22 8.203 8.358 -0.155 2
1 218 . 1 1 A 22 22 ASP CA C 22 57.332 57.733 -0.401 2
1 219 . 1 1 A 22 22 ASP HA H 22 4.400 4.301 0.099 2
1 220 . 1 1 A 22 22 ASP CB C 22 41.023 41.097 -0.074 2
1 223 . 1 1 A 22 22 ASP C C 22 179.117 178.233 0.884 2
1 224 . 1 1 A 23 23 ALA N N 23 123.634 120.949 2.685 2
1 225 . 1 1 A 23 23 ALA H H 23 8.819 8.144 0.675 2
1 226 . 1 1 A 23 23 ALA CA C 23 55.058 54.693 0.365 2
1 227 . 1 1 A 23 23 ALA HA H 23 3.050 3.651 -0.601 2
1 228 . 1 1 A 23 23 ALA CB C 23 20.405 18.120 2.285 2
1 232 . 1 1 A 23 23 ALA C C 23 179.042 179.431 -0.389 2
1 233 . 1 1 A 24 24 CYS N N 24 115.941 117.159 -1.218 2
1 234 . 1 1 A 24 24 CYS H H 24 8.227 8.179 0.048 2
1 235 . 1 1 A 24 24 CYS CA C 24 63.657 62.568 1.089 2
1 236 . 1 1 A 24 24 CYS HA H 24 3.524 3.695 -0.171 2
1 237 . 1 1 A 24 24 CYS CB C 24 27.165 26.747 0.418 2
1 240 . 1 1 A 24 24 CYS C C 24 177.855 176.405 1.450 2
1 241 . 1 1 A 25 25 GLU N N 25 118.624 119.030 -0.406 2
1 242 . 1 1 A 25 25 GLU H H 25 8.262 7.755 0.507 2
1 243 . 1 1 A 25 25 GLU CA C 25 58.829 58.191 0.638 2
1 244 . 1 1 A 25 25 GLU HA H 25 3.974 4.186 -0.212 2
1 245 . 1 1 A 25 25 GLU CB C 25 29.896 29.971 -0.075 2
1 251 . 1 1 A 25 25 GLU C C 25 178.082 178.919 -0.837 2
1 252 . 1 1 A 26 26 THR N N 26 113.708 117.464 -3.756 2
1 253 . 1 1 A 26 26 THR H H 26 8.046 8.194 -0.148 2
1 254 . 1 1 A 26 26 THR CA C 26 65.448 66.240 -0.792 2
1 255 . 1 1 A 26 26 THR HA H 26 4.003 3.913 0.089 2
1 256 . 1 1 A 26 26 THR CB C 26 69.475 68.626 0.849 2
1 262 . 1 1 A 26 26 THR C C 26 175.986 176.233 -0.248 2
1 263 . 1 1 A 27 27 LEU N N 27 119.789 118.505 1.284 2
1 264 . 1 1 A 27 27 LEU H H 27 8.609 7.675 0.934 2
1 265 . 1 1 A 27 27 LEU CA C 27 55.566 56.491 -0.925 2
1 266 . 1 1 A 27 27 LEU HA H 27 4.238 3.952 0.286 2
1 267 . 1 1 A 27 27 LEU CB C 27 42.130 42.517 -0.387 2
1 280 . 1 1 A 27 27 LEU C C 27 179.075 177.523 1.553 2
1 281 . 1 1 A 28 28 GLY N N 28 107.009 106.028 0.981 2
1 282 . 1 1 A 28 28 GLY H H 28 6.965 7.979 -1.014 2
1 283 . 1 1 A 28 28 GLY CA C 28 44.545 44.405 0.140 2
1 284 . 1 1 A 28 28 GLY HA2 H 28 4.057 3.894 0.163 2
1 285 . 1 1 A 28 28 GLY HA3 H 28 3.664 3.926 -0.262 2
1 286 . 1 1 A 28 28 GLY C C 28 173.046 174.901 -1.855 2
1 287 . 1 1 A 29 29 LEU N N 29 117.364 123.144 -5.780 2
1 288 . 1 1 A 29 29 LEU H H 29 7.960 8.296 -0.336 2
1 289 . 1 1 A 29 29 LEU CA C 29 54.626 57.092 -2.466 2
1 290 . 1 1 A 29 29 LEU HA H 29 3.487 3.155 0.332 2
1 291 . 1 1 A 29 29 LEU CB C 29 40.949 40.881 0.068 2
1 304 . 1 1 A 29 29 LEU C C 29 177.460 178.686 -1.226 2
1 305 . 1 1 A 30 30 GLY N N 30 106.469 106.627 -0.158 2
1 306 . 1 1 A 30 30 GLY H H 30 7.503 7.965 -0.462 2
1 307 . 1 1 A 30 30 GLY CA C 30 46.003 47.011 -1.008 2
1 308 . 1 1 A 30 30 GLY HA2 H 30 3.781 3.781 -0.000 2
1 309 . 1 1 A 30 30 GLY HA3 H 30 3.638 3.793 -0.155 2
1 310 . 1 1 A 30 30 GLY C C 30 174.269 174.460 -0.191 2
1 311 . 1 1 A 31 31 ASN N N 31 117.981 116.833 1.148 2
1 312 . 1 1 A 31 31 ASN H H 31 7.643 7.777 -0.134 2
1 313 . 1 1 A 31 31 ASN CA C 31 52.135 51.798 0.337 2
1 314 . 1 1 A 31 31 ASN HA H 31 4.899 4.927 -0.028 2
1 315 . 1 1 A 31 31 ASN CB C 31 38.492 38.833 -0.341 2
1 321 . 1 1 A 31 31 ASN C C 31 176.436 175.237 1.199 2
1 322 . 1 1 A 32 32 TRP N N 32 124.932 124.018 0.914 2
1 323 . 1 1 A 32 32 TRP H H 32 8.638 8.255 0.383 2
1 324 . 1 1 A 32 32 TRP CA C 32 60.578 59.979 0.599 2
1 325 . 1 1 A 32 32 TRP HA H 32 4.257 4.291 -0.034 2
1 326 . 1 1 A 32 32 TRP CB C 32 29.185 29.216 -0.031 2
1 341 . 1 1 A 32 32 TRP C C 32 177.477 178.623 -1.146 2
1 342 . 1 1 A 33 33 ALA N N 33 123.791 122.084 1.707 2
1 343 . 1 1 A 33 33 ALA H H 33 8.522 8.283 0.239 2
1 344 . 1 1 A 33 33 ALA CA C 33 55.609 55.366 0.243 2
1 345 . 1 1 A 33 33 ALA HA H 33 4.245 4.148 0.097 2
1 346 . 1 1 A 33 33 ALA CB C 33 17.931 18.603 -0.672 2
1 350 . 1 1 A 33 33 ALA C C 33 179.868 179.575 0.293 2
1 351 . 1 1 A 34 34 ASP N N 34 118.553 117.952 0.601 2
1 352 . 1 1 A 34 34 ASP H H 34 7.463 7.760 -0.297 2
1 353 . 1 1 A 34 34 ASP CA C 34 56.937 57.170 -0.233 2
1 354 . 1 1 A 34 34 ASP HA H 34 4.378 4.520 -0.142 2
1 355 . 1 1 A 34 34 ASP CB C 34 40.089 40.998 -0.909 2
1 358 . 1 1 A 34 34 ASP C C 34 179.385 178.871 0.514 2
1 359 . 1 1 A 35 35 ILE N N 35 121.343 120.355 0.988 2
1 360 . 1 1 A 35 35 ILE H H 35 7.308 7.751 -0.443 2
1 361 . 1 1 A 35 35 ILE CA C 35 64.900 65.439 -0.539 2
1 362 . 1 1 A 35 35 ILE HA H 35 3.528 3.959 -0.431 2
1 363 . 1 1 A 35 35 ILE CB C 35 37.842 37.561 0.281 2
1 376 . 1 1 A 35 35 ILE C C 35 176.832 178.040 -1.208 2
1 377 . 1 1 A 36 36 ALA N N 36 122.328 122.128 0.200 2
1 378 . 1 1 A 36 36 ALA H H 36 8.446 8.871 -0.426 2
1 379 . 1 1 A 36 36 ALA CA C 36 55.724 55.950 -0.226 2
1 380 . 1 1 A 36 36 ALA HA H 36 4.281 4.139 0.142 2
1 381 . 1 1 A 36 36 ALA CB C 36 17.153 18.385 -1.232 2
1 385 . 1 1 A 36 36 ALA C C 36 181.002 179.352 1.650 2
1 386 . 1 1 A 37 37 ASP N N 37 119.092 118.512 0.580 2
1 387 . 1 1 A 37 37 ASP H H 37 7.997 8.047 -0.050 2
1 388 . 1 1 A 37 37 ASP CA C 37 57.105 56.929 0.176 2
1 389 . 1 1 A 37 37 ASP HA H 37 4.392 4.447 -0.055 2
1 390 . 1 1 A 37 37 ASP CB C 37 40.808 40.931 -0.123 2
1 393 . 1 1 A 37 37 ASP C C 37 177.292 178.069 -0.777 2
1 394 . 1 1 A 38 38 TYR N N 38 121.825 120.922 0.903 2
1 395 . 1 1 A 38 38 TYR H H 38 7.648 8.172 -0.524 2
1 396 . 1 1 A 38 38 TYR CA C 38 60.838 61.074 -0.236 2
1 397 . 1 1 A 38 38 TYR HA H 38 4.046 4.202 -0.156 2
1 398 . 1 1 A 38 38 TYR CB C 38 39.411 38.687 0.724 2
1 409 . 1 1 A 38 38 TYR C C 38 177.306 177.260 0.046 2
1 410 . 1 1 A 39 39 VAL N N 39 118.437 118.997 -0.560 2
1 411 . 1 1 A 39 39 VAL H H 39 8.306 8.458 -0.152 2
1 412 . 1 1 A 39 39 VAL CA C 39 65.398 65.287 0.111 2
1 413 . 1 1 A 39 39 VAL HA H 39 3.707 3.962 -0.255 2
1 414 . 1 1 A 39 39 VAL CB C 39 32.833 32.128 0.705 2
1 424 . 1 1 A 39 39 VAL C C 39 177.244 177.049 0.195 2
1 425 . 1 1 A 40 40 GLY N N 40 105.738 109.260 -3.522 2
1 426 . 1 1 A 40 40 GLY H H 40 8.117 7.922 0.195 2
1 427 . 1 1 A 40 40 GLY CA C 40 45.890 46.432 -0.542 2
1 428 . 1 1 A 40 40 GLY HA2 H 40 3.896 3.893 0.003 2
1 429 . 1 1 A 40 40 GLY HA3 H 40 3.694 3.907 -0.213 2
1 430 . 1 1 A 40 40 GLY C C 40 173.930 175.095 -1.165 2
1 431 . 1 1 A 41 41 ASN N N 41 116.713 120.140 -3.427 2
1 432 . 1 1 A 41 41 ASN H H 41 8.620 9.056 -0.436 2
1 433 . 1 1 A 41 41 ASN CA C 41 54.192 54.449 -0.257 2
1 434 . 1 1 A 41 41 ASN HA H 41 4.253 4.294 -0.041 2
1 435 . 1 1 A 41 41 ASN CB C 41 38.370 36.791 1.579 2
1 441 . 1 1 A 41 41 ASN C C 41 173.935 174.513 -0.578 2
1 442 . 1 1 A 42 42 ALA N N 42 115.074 113.229 1.845 2
1 443 . 1 1 A 42 42 ALA H H 42 8.425 8.225 0.200 2
1 444 . 1 1 A 42 42 ALA CA C 42 52.968 53.460 -0.492 2
1 445 . 1 1 A 42 42 ALA HA H 42 3.876 3.841 0.035 2
1 446 . 1 1 A 42 42 ALA CB C 42 17.871 17.630 0.241 2
1 450 . 1 1 A 42 42 ALA C C 42 177.531 176.094 1.437 2
1 451 . 1 1 A 43 43 ARG N N 43 119.427 116.215 3.212 2
1 452 . 1 1 A 43 43 ARG H H 43 7.773 7.432 0.341 2
1 453 . 1 1 A 43 43 ARG CA C 43 54.411 54.023 0.388 2
1 454 . 1 1 A 43 43 ARG HA H 43 4.447 4.973 -0.526 2
1 455 . 1 1 A 43 43 ARG CB C 43 30.954 33.776 -2.822 2
1 466 . 1 1 A 43 43 ARG C C 43 177.734 174.535 3.199 2
1 467 . 1 1 A 44 44 THR N N 44 113.165 113.259 -0.094 2
1 468 . 1 1 A 44 44 THR H H 44 8.918 8.559 0.359 2
1 469 . 1 1 A 44 44 THR CA C 44 60.337 60.529 -0.193 2
1 470 . 1 1 A 44 44 THR HA H 44 4.625 4.932 -0.307 2
1 471 . 1 1 A 44 44 THR CB C 44 72.316 70.476 1.840 2
1 477 . 1 1 A 44 44 THR C C 44 177.134 174.621 2.513 2
1 478 . 1 1 A 45 45 LYS N N 45 121.142 123.276 -2.134 2
1 479 . 1 1 A 45 45 LYS H H 45 9.432 8.855 0.577 2
1 480 . 1 1 A 45 45 LYS CA C 45 59.938 59.225 0.713 2
1 481 . 1 1 A 45 45 LYS HA H 45 4.137 4.130 0.006 2
1 482 . 1 1 A 45 45 LYS CB C 45 32.188 32.112 0.076 2
1 494 . 1 1 A 45 45 LYS C C 45 177.330 178.189 -0.859 2
1 495 . 1 1 A 46 46 GLU N N 46 120.446 119.665 0.780 2
1 496 . 1 1 A 46 46 GLU H H 46 8.577 8.605 -0.028 2
1 497 . 1 1 A 46 46 GLU CA C 46 61.051 59.399 1.652 2
1 498 . 1 1 A 46 46 GLU HA H 46 3.716 3.944 -0.228 2
1 499 . 1 1 A 46 46 GLU CB C 46 28.270 29.337 -1.067 2
1 505 . 1 1 A 46 46 GLU C C 46 178.200 179.053 -0.853 2
1 506 . 1 1 A 47 47 GLU N N 47 119.411 118.983 0.428 2
1 507 . 1 1 A 47 47 GLU H H 47 7.874 8.044 -0.170 2
1 508 . 1 1 A 47 47 GLU CA C 47 59.209 59.044 0.165 2
1 509 . 1 1 A 47 47 GLU HA H 47 4.139 4.232 -0.093 2
1 510 . 1 1 A 47 47 GLU CB C 47 30.970 30.294 0.676 2
1 516 . 1 1 A 47 47 GLU C C 47 180.380 179.031 1.349 2
1 517 . 1 1 A 48 48 CYS N N 48 117.778 119.070 -1.292 2
1 518 . 1 1 A 48 48 CYS H H 48 8.354 8.620 -0.266 2
1 519 . 1 1 A 48 48 CYS CA C 48 65.002 63.250 1.752 2
1 520 . 1 1 A 48 48 CYS HA H 48 4.331 4.422 -0.091 2
1 521 . 1 1 A 48 48 CYS CB C 48 27.262 27.305 -0.043 2
1 524 . 1 1 A 48 48 CYS C C 48 174.443 177.098 -2.655 2
1 525 . 1 1 A 49 49 ARG N N 49 121.012 120.951 0.061 2
1 526 . 1 1 A 49 49 ARG H H 49 7.364 7.607 -0.243 2
1 527 . 1 1 A 49 49 ARG CA C 49 58.352 58.306 0.046 2
1 528 . 1 1 A 49 49 ARG HA H 49 1.940 1.510 0.430 2
1 529 . 1 1 A 49 49 ARG CB C 49 29.691 29.186 0.505 2
1 538 . 1 1 A 49 49 ARG C C 49 177.306 177.754 -0.447 2
1 539 . 1 1 A 50 50 ASP N N 50 116.931 118.508 -1.577 2
1 540 . 1 1 A 50 50 ASP H H 50 8.183 7.964 0.219 2
1 541 . 1 1 A 50 50 ASP CA C 50 57.267 57.109 0.158 2
1 542 . 1 1 A 50 50 ASP HA H 50 4.170 4.191 -0.021 2
1 543 . 1 1 A 50 50 ASP CB C 50 40.569 40.966 -0.397 2
1 546 . 1 1 A 50 50 ASP C C 50 178.695 178.513 0.182 2
1 547 . 1 1 A 51 51 HIS N N 51 116.759 119.955 -3.196 2
1 548 . 1 1 A 51 51 HIS H H 51 8.276 8.492 -0.216 2
1 549 . 1 1 A 51 51 HIS CA C 51 59.374 59.084 0.290 2
1 550 . 1 1 A 51 51 HIS HA H 51 3.986 4.100 -0.114 2
1 551 . 1 1 A 51 51 HIS CB C 51 28.534 29.776 -1.242 2
1 558 . 1 1 A 51 51 HIS C C 51 177.514 176.730 0.784 2
1 559 . 1 1 A 52 52 TYR N N 52 121.013 119.953 1.060 2
1 560 . 1 1 A 52 52 TYR H H 52 8.364 7.593 0.771 2
1 561 . 1 1 A 52 52 TYR CA C 52 62.363 61.084 1.279 2
1 562 . 1 1 A 52 52 TYR HA H 52 3.951 3.998 -0.047 2
1 563 . 1 1 A 52 52 TYR CB C 52 39.610 38.593 1.017 2
1 574 . 1 1 A 52 52 TYR C C 52 177.492 177.318 0.174 2
1 575 . 1 1 A 53 53 LEU N N 53 117.616 119.450 -1.834 2
1 576 . 1 1 A 53 53 LEU H H 53 8.354 7.821 0.533 2
1 577 . 1 1 A 53 53 LEU CA C 53 57.261 56.479 0.782 2
1 578 . 1 1 A 53 53 LEU HA H 53 3.985 4.305 -0.320 2
1 579 . 1 1 A 53 53 LEU CB C 53 41.403 41.842 -0.439 2
1 592 . 1 1 A 53 53 LEU C C 53 178.921 177.736 1.185 2
1 593 . 1 1 A 54 54 LYS N N 54 116.037 116.996 -0.959 2
1 594 . 1 1 A 54 54 LYS H H 54 7.468 7.886 -0.418 2
1 595 . 1 1 A 54 54 LYS CA C 54 57.859 57.292 0.567 2
1 596 . 1 1 A 54 54 LYS HA H 54 4.006 4.389 -0.383 2
1 597 . 1 1 A 54 54 LYS CB C 54 32.668 33.606 -0.938 2
1 609 . 1 1 A 54 54 LYS C C 54 177.318 178.091 -0.773 2
1 610 . 1 1 A 55 55 THR N N 55 111.885 115.801 -3.916 2
1 611 . 1 1 A 55 55 THR H H 55 7.259 7.689 -0.430 2
1 612 . 1 1 A 55 55 THR CA C 55 63.882 65.421 -1.539 2
1 613 . 1 1 A 55 55 THR HA H 55 3.864 3.912 -0.048 2
1 614 . 1 1 A 55 55 THR CB C 55 69.759 69.038 0.721 2
1 620 . 1 1 A 55 55 THR C C 55 174.423 175.643 -1.221 2
1 621 . 1 1 A 56 56 TYR N N 56 120.015 118.802 1.213 2
1 622 . 1 1 A 56 56 TYR H H 56 7.767 7.951 -0.184 2
1 623 . 1 1 A 56 56 TYR CA C 56 58.699 60.627 -1.928 2
1 624 . 1 1 A 56 56 TYR HA H 56 4.388 4.149 0.239 2
1 625 . 1 1 A 56 56 TYR CB C 56 38.568 38.181 0.387 2
1 636 . 1 1 A 56 56 TYR C C 56 175.031 178.150 -3.119 2
1 637 . 1 1 A 57 57 ILE N N 57 121.611 119.936 1.675 2
1 638 . 1 1 A 57 57 ILE H H 57 7.376 8.165 -0.789 2
1 639 . 1 1 A 57 57 ILE CA C 57 60.560 65.129 -4.569 2
1 640 . 1 1 A 57 57 ILE HA H 57 4.155 3.712 0.443 2
1 641 . 1 1 A 57 57 ILE CB C 57 38.585 38.004 0.581 2
1 654 . 1 1 A 57 57 ILE C C 57 175.122 177.920 -2.798 2
stop_
save_