data_15535_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15535
_Entry.PDB_ID 2JWS
_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 3 . 1 1 1 A 2 2 THR H H 2 7.970 8.625 -0.655 1
1 4 . 1 1 1 A 2 2 THR HA H 2 4.183 4.316 -0.133 1
1 9 . 1 1 1 A 2 2 THR C C 2 173.875 173.849 0.026 1
1 10 . 1 1 1 A 2 2 THR CA C 2 61.768 62.834 -1.066 1
1 11 . 1 1 1 A 2 2 THR CB C 2 69.631 67.491 2.140 1
1 13 . 1 1 1 A 2 2 THR N N 2 128.423 115.720 12.703 1
1 14 . 1 1 1 A 3 3 TYR H H 3 8.247 8.784 -0.537 1
1 15 . 1 1 1 A 3 3 TYR HA H 3 4.271 4.761 -0.490 1
1 22 . 1 1 1 A 3 3 TYR C C 3 175.714 175.392 0.322 1
1 23 . 1 1 1 A 3 3 TYR CA C 3 58.145 57.994 0.151 1
1 24 . 1 1 1 A 3 3 TYR CB C 3 38.753 39.347 -0.594 1
1 27 . 1 1 1 A 3 3 TYR N N 3 123.871 125.238 -1.367 1
1 28 . 1 1 1 A 4 4 LYS H H 4 8.009 7.460 0.549 1
1 29 . 1 1 1 A 4 4 LYS HA H 4 3.963 4.570 -0.607 1
1 36 . 1 1 1 A 4 4 LYS C C 4 175.979 174.686 1.293 1
1 37 . 1 1 1 A 4 4 LYS CA C 4 56.821 55.437 1.384 1
1 38 . 1 1 1 A 4 4 LYS CB C 4 32.981 32.776 0.205 1
1 40 . 1 1 1 A 4 4 LYS N N 4 122.309 122.528 -0.219 1
1 41 . 1 1 1 A 5 5 LEU H H 5 7.918 8.244 -0.326 1
1 42 . 1 1 1 A 5 5 LEU HA H 5 4.151 4.755 -0.604 1
1 49 . 1 1 1 A 5 5 LEU C C 5 176.945 174.762 2.183 1
1 50 . 1 1 1 A 5 5 LEU CA C 5 55.320 53.623 1.697 1
1 51 . 1 1 1 A 5 5 LEU CB C 5 42.054 42.887 -0.833 1
1 55 . 1 1 1 A 5 5 LEU N N 5 121.830 124.297 -2.467 1
1 56 . 1 1 1 A 6 6 ILE H H 6 7.974 8.078 -0.104 1
1 57 . 1 1 1 A 6 6 ILE HA H 6 3.959 4.576 -0.617 1
1 67 . 1 1 1 A 6 6 ILE C C 6 176.110 174.912 1.198 1
1 68 . 1 1 1 A 6 6 ILE CA C 6 61.287 60.407 0.880 1
1 69 . 1 1 1 A 6 6 ILE CB C 6 38.228 37.560 0.668 1
1 73 . 1 1 1 A 6 6 ILE N N 6 121.898 118.794 3.104 1
1 74 . 1 1 1 A 7 7 LEU H H 7 8.071 8.577 -0.506 1
1 75 . 1 1 1 A 7 7 LEU HA H 7 4.316 5.040 -0.724 1
1 82 . 1 1 1 A 7 7 LEU C C 7 176.915 175.525 1.390 1
1 83 . 1 1 1 A 7 7 LEU CA C 7 55.177 53.322 1.855 1
1 84 . 1 1 1 A 7 7 LEU CB C 7 43.080 45.722 -2.642 1
1 86 . 1 1 1 A 7 7 LEU N N 7 125.296 127.923 -2.627 1
1 87 . 1 1 1 A 8 8 ASN H H 8 8.021 8.761 -0.740 1
1 88 . 1 1 1 A 8 8 ASN HA H 8 4.570 5.091 -0.521 1
1 91 . 1 1 1 A 8 8 ASN C C 8 175.203 175.725 -0.522 1
1 92 . 1 1 1 A 8 8 ASN CA C 8 52.320 52.093 0.227 1
1 93 . 1 1 1 A 8 8 ASN CB C 8 39.229 38.487 0.742 1
1 94 . 1 1 1 A 8 8 ASN N N 8 117.805 119.645 -1.840 1
1 95 . 1 1 1 A 9 9 LEU H H 9 8.385 8.205 0.180 1
1 96 . 1 1 1 A 9 9 LEU HA H 9 3.718 3.968 -0.250 1
1 106 . 1 1 1 A 9 9 LEU C C 9 177.150 178.775 -1.625 1
1 107 . 1 1 1 A 9 9 LEU CA C 9 58.501 58.100 0.401 1
1 108 . 1 1 1 A 9 9 LEU CB C 9 42.085 41.135 0.950 1
1 111 . 1 1 1 A 9 9 LEU N N 9 122.110 120.536 1.574 1
1 112 . 1 1 1 A 10 10 LYS H H 10 8.027 8.215 -0.188 1
1 113 . 1 1 1 A 10 10 LYS HA H 10 3.824 3.903 -0.079 1
1 118 . 1 1 1 A 10 10 LYS C C 10 178.555 178.608 -0.053 1
1 119 . 1 1 1 A 10 10 LYS CA C 10 59.893 59.868 0.025 1
1 120 . 1 1 1 A 10 10 LYS CB C 10 32.143 32.301 -0.158 1
1 123 . 1 1 1 A 10 10 LYS N N 10 118.739 118.911 -0.172 1
1 124 . 1 1 1 A 11 11 GLN H H 11 7.574 7.903 -0.329 1
1 125 . 1 1 1 A 11 11 GLN HA H 11 3.984 4.191 -0.207 1
1 130 . 1 1 1 A 11 11 GLN C C 11 175.218 178.353 -3.135 1
1 131 . 1 1 1 A 11 11 GLN CA C 11 59.252 58.411 0.841 1
1 132 . 1 1 1 A 11 11 GLN CB C 11 29.579 28.537 1.042 1
1 134 . 1 1 1 A 11 11 GLN N N 11 117.396 118.303 -0.907 1
1 135 . 1 1 1 A 12 12 ALA H H 12 8.432 8.377 0.055 1
1 136 . 1 1 1 A 12 12 ALA HA H 12 4.001 4.284 -0.283 1
1 140 . 1 1 1 A 12 12 ALA C C 12 179.374 180.053 -0.679 1
1 141 . 1 1 1 A 12 12 ALA CA C 12 55.373 55.129 0.244 1
1 142 . 1 1 1 A 12 12 ALA CB C 12 18.214 18.622 -0.408 1
1 143 . 1 1 1 A 12 12 ALA N N 12 122.547 122.702 -0.155 1
1 144 . 1 1 1 A 13 13 LYS H H 13 8.276 8.367 -0.091 1
1 145 . 1 1 1 A 13 13 LYS HA H 13 3.404 4.114 -0.710 1
1 152 . 1 1 1 A 13 13 LYS C C 13 178.467 179.126 -0.659 1
1 153 . 1 1 1 A 13 13 LYS CA C 13 60.801 59.103 1.698 1
1 154 . 1 1 1 A 13 13 LYS CB C 13 33.111 32.297 0.814 1
1 157 . 1 1 1 A 13 13 LYS N N 13 116.459 117.272 -0.813 1
1 158 . 1 1 1 A 14 14 GLU H H 14 7.840 7.984 -0.144 1
1 159 . 1 1 1 A 14 14 GLU HA H 14 3.755 4.013 -0.258 1
1 164 . 1 1 1 A 14 14 GLU C C 14 177.720 179.206 -1.486 1
1 165 . 1 1 1 A 14 14 GLU CA C 14 59.737 59.518 0.219 1
1 166 . 1 1 1 A 14 14 GLU CB C 14 29.453 29.164 0.289 1
1 168 . 1 1 1 A 14 14 GLU N N 14 116.581 119.818 -3.237 1
1 169 . 1 1 1 A 15 15 GLU H H 15 8.269 8.568 -0.299 1
1 170 . 1 1 1 A 15 15 GLU HA H 15 3.961 4.035 -0.074 1
1 175 . 1 1 1 A 15 15 GLU C C 15 178.438 178.643 -0.205 1
1 176 . 1 1 1 A 15 15 GLU CA C 15 58.383 59.244 -0.861 1
1 177 . 1 1 1 A 15 15 GLU CB C 15 28.994 29.135 -0.141 1
1 179 . 1 1 1 A 15 15 GLU N N 15 115.657 120.245 -4.588 1
1 180 . 1 1 1 A 16 16 ALA H H 16 8.500 7.573 0.927 1
1 181 . 1 1 1 A 16 16 ALA HA H 16 3.939 3.992 -0.053 1
1 185 . 1 1 1 A 16 16 ALA C C 16 179.330 179.904 -0.574 1
1 186 . 1 1 1 A 16 16 ALA CA C 16 55.401 55.011 0.390 1
1 187 . 1 1 1 A 16 16 ALA CB C 16 18.980 18.367 0.613 1
1 188 . 1 1 1 A 16 16 ALA N N 16 122.087 121.919 0.168 1
1 189 . 1 1 1 A 17 17 ILE H H 17 8.598 8.576 0.022 1
1 190 . 1 1 1 A 17 17 ILE HA H 17 3.334 3.638 -0.304 1
1 195 . 1 1 1 A 17 17 ILE C C 17 177.120 177.941 -0.821 1
1 196 . 1 1 1 A 17 17 ILE CA C 17 66.876 65.417 1.459 1
1 197 . 1 1 1 A 17 17 ILE CB C 17 37.817 37.996 -0.179 1
1 200 . 1 1 1 A 17 17 ILE N N 17 117.395 118.867 -1.472 1
1 201 . 1 1 1 A 18 18 LYS H H 18 7.633 7.640 -0.007 1
1 202 . 1 1 1 A 18 18 LYS HA H 18 3.748 3.909 -0.161 1
1 209 . 1 1 1 A 18 18 LYS C C 18 179.199 179.840 -0.641 1
1 210 . 1 1 1 A 18 18 LYS CA C 18 60.001 59.949 0.052 1
1 211 . 1 1 1 A 18 18 LYS CB C 18 32.538 32.111 0.427 1
1 213 . 1 1 1 A 18 18 LYS N N 18 119.143 118.904 0.239 1
1 214 . 1 1 1 A 19 19 GLU H H 19 8.192 7.831 0.361 1
1 215 . 1 1 1 A 19 19 GLU HA H 19 3.942 4.056 -0.114 1
1 220 . 1 1 1 A 19 19 GLU C C 19 179.813 178.913 0.900 1
1 221 . 1 1 1 A 19 19 GLU CA C 19 59.577 58.991 0.586 1
1 222 . 1 1 1 A 19 19 GLU CB C 19 29.756 29.282 0.474 1
1 224 . 1 1 1 A 19 19 GLU N N 19 118.201 119.854 -1.653 1
1 225 . 1 1 1 A 20 20 LEU H H 20 8.128 7.944 0.184 1
1 226 . 1 1 1 A 20 20 LEU HA H 20 3.877 4.161 -0.284 1
1 233 . 1 1 1 A 20 20 LEU C C 20 178.906 178.819 0.087 1
1 234 . 1 1 1 A 20 20 LEU CA C 20 58.171 57.772 0.399 1
1 235 . 1 1 1 A 20 20 LEU CB C 20 41.496 41.861 -0.365 1
1 238 . 1 1 1 A 20 20 LEU N N 20 119.841 121.538 -1.697 1
1 239 . 1 1 1 A 21 21 VAL H H 21 9.063 8.846 0.217 1
1 240 . 1 1 1 A 21 21 VAL HA H 21 3.608 3.565 0.043 1
1 245 . 1 1 1 A 21 21 VAL C C 21 176.301 177.904 -1.603 1
1 246 . 1 1 1 A 21 21 VAL CA C 21 66.684 67.196 -0.512 1
1 247 . 1 1 1 A 21 21 VAL CB C 21 31.879 31.334 0.545 1
1 249 . 1 1 1 A 21 21 VAL N N 21 122.114 119.514 2.600 1
1 250 . 1 1 1 A 22 22 ASP H H 22 8.427 8.035 0.392 1
1 251 . 1 1 1 A 22 22 ASP HA H 22 4.276 4.496 -0.220 1
1 254 . 1 1 1 A 22 22 ASP C C 22 177.428 178.014 -0.586 1
1 255 . 1 1 1 A 22 22 ASP CA C 22 57.143 56.471 0.672 1
1 256 . 1 1 1 A 22 22 ASP CB C 22 40.015 41.173 -1.158 1
1 257 . 1 1 1 A 22 22 ASP N N 22 122.544 120.594 1.950 1
1 258 . 1 1 1 A 23 23 ALA H H 23 7.451 7.731 -0.280 1
1 259 . 1 1 1 A 23 23 ALA HA H 23 4.284 4.309 -0.025 1
1 263 . 1 1 1 A 23 23 ALA C C 23 177.647 177.890 -0.243 1
1 264 . 1 1 1 A 23 23 ALA CA C 23 52.140 52.163 -0.023 1
1 265 . 1 1 1 A 23 23 ALA CB C 23 19.094 19.706 -0.612 1
1 266 . 1 1 1 A 23 23 ALA N N 23 119.690 118.767 0.923 1
1 267 . 1 1 1 A 24 24 GLY H H 24 8.007 8.339 -0.332 1
1 268 . 1 1 1 A 24 24 GLY HA2 H 24 3.930 3.924 0.006 1
1 269 . 1 1 1 A 24 24 GLY HA3 H 24 3.786 3.935 -0.149 1
1 270 . 1 1 1 A 24 24 GLY C C 24 174.852 173.969 0.883 1
1 271 . 1 1 1 A 24 24 GLY CA C 24 45.939 47.008 -1.069 1
1 272 . 1 1 1 A 24 24 GLY N N 24 107.876 107.293 0.583 1
1 273 . 1 1 1 A 25 25 ILE H H 25 7.628 7.810 -0.182 1
1 274 . 1 1 1 A 25 25 ILE HA H 25 3.880 4.753 -0.873 1
1 281 . 1 1 1 A 25 25 ILE C C 25 174.954 175.112 -0.158 1
1 282 . 1 1 1 A 25 25 ILE CA C 25 58.787 59.615 -0.828 1
1 283 . 1 1 1 A 25 25 ILE CB C 25 36.014 41.078 -5.064 1
1 286 . 1 1 1 A 25 25 ILE N N 25 121.226 117.978 3.248 1
1 287 . 1 1 1 A 26 26 ALA H H 26 8.454 8.715 -0.261 1
1 288 . 1 1 1 A 26 26 ALA HA H 26 4.164 4.233 -0.069 1
1 292 . 1 1 1 A 26 26 ALA C C 26 178.921 178.302 0.619 1
1 293 . 1 1 1 A 26 26 ALA CA C 26 52.978 52.635 0.343 1
1 294 . 1 1 1 A 26 26 ALA CB C 26 19.648 19.271 0.377 1
1 295 . 1 1 1 A 26 26 ALA N N 26 127.062 126.719 0.343 1
1 296 . 1 1 1 A 27 27 GLU H H 27 8.652 8.702 -0.050 1
1 297 . 1 1 1 A 27 27 GLU HA H 27 3.728 4.068 -0.340 1
1 302 . 1 1 1 A 27 27 GLU C C 27 179.886 178.638 1.248 1
1 303 . 1 1 1 A 27 27 GLU CA C 27 59.830 59.276 0.554 1
1 304 . 1 1 1 A 27 27 GLU CB C 27 29.682 29.448 0.234 1
1 306 . 1 1 1 A 27 27 GLU N N 27 122.104 124.751 -2.647 1
1 307 . 1 1 1 A 28 28 LYS H H 28 8.315 8.123 0.192 1
1 308 . 1 1 1 A 28 28 LYS HA H 28 3.789 3.996 -0.207 1
1 315 . 1 1 1 A 28 28 LYS C C 28 177.179 178.617 -1.438 1
1 316 . 1 1 1 A 28 28 LYS CA C 28 58.673 59.350 -0.677 1
1 317 . 1 1 1 A 28 28 LYS CB C 28 31.279 32.143 -0.864 1
1 320 . 1 1 1 A 28 28 LYS N N 28 119.368 120.665 -1.297 1
1 321 . 1 1 1 A 29 29 TYR H H 29 7.372 8.080 -0.708 1
1 322 . 1 1 1 A 29 29 TYR HA H 29 4.448 4.271 0.177 1
1 329 . 1 1 1 A 29 29 TYR C C 29 177.413 178.456 -1.043 1
1 330 . 1 1 1 A 29 29 TYR CA C 29 59.246 60.725 -1.479 1
1 331 . 1 1 1 A 29 29 TYR CB C 29 38.528 37.474 1.054 1
1 336 . 1 1 1 A 29 29 TYR N N 29 116.907 118.869 -1.962 1
1 337 . 1 1 1 A 30 30 ILE H H 30 7.448 8.462 -1.014 1
1 338 . 1 1 1 A 30 30 ILE HA H 30 3.359 3.858 -0.499 1
1 345 . 1 1 1 A 30 30 ILE C C 30 177.662 177.740 -0.078 1
1 346 . 1 1 1 A 30 30 ILE CA C 30 65.541 63.585 1.956 1
1 347 . 1 1 1 A 30 30 ILE CB C 30 37.362 37.616 -0.254 1
1 350 . 1 1 1 A 30 30 ILE N N 30 120.953 120.820 0.133 1
1 351 . 1 1 1 A 31 31 LYS H H 31 7.835 8.123 -0.288 1
1 352 . 1 1 1 A 31 31 LYS HA H 31 3.831 4.044 -0.213 1
1 357 . 1 1 1 A 31 31 LYS C C 31 178.218 179.208 -0.990 1
1 358 . 1 1 1 A 31 31 LYS CA C 31 58.702 59.155 -0.453 1
1 359 . 1 1 1 A 31 31 LYS CB C 31 32.198 31.990 0.208 1
1 363 . 1 1 1 A 31 31 LYS N N 31 116.536 122.053 -5.517 1
1 364 . 1 1 1 A 32 32 LEU H H 32 7.335 7.704 -0.369 1
1 365 . 1 1 1 A 32 32 LEU HA H 32 3.905 3.929 -0.024 1
1 372 . 1 1 1 A 32 32 LEU C C 32 179.901 179.113 0.788 1
1 373 . 1 1 1 A 32 32 LEU CA C 32 57.366 57.818 -0.452 1
1 374 . 1 1 1 A 32 32 LEU CB C 32 41.550 41.274 0.276 1
1 377 . 1 1 1 A 32 32 LEU N N 32 117.191 118.668 -1.477 1
1 378 . 1 1 1 A 33 33 ILE H H 33 7.409 7.435 -0.026 1
1 379 . 1 1 1 A 33 33 ILE HA H 33 3.522 4.019 -0.497 1
1 389 . 1 1 1 A 33 33 ILE C C 33 177.354 178.203 -0.849 1
1 390 . 1 1 1 A 33 33 ILE CA C 33 62.128 63.569 -1.441 1
1 391 . 1 1 1 A 33 33 ILE CB C 33 35.578 37.928 -2.350 1
1 395 . 1 1 1 A 33 33 ILE N N 33 117.873 115.373 2.500 1
1 396 . 1 1 1 A 34 34 ALA H H 34 7.615 8.871 -1.256 1
1 397 . 1 1 1 A 34 34 ALA HA H 34 3.774 4.031 -0.257 1
1 401 . 1 1 1 A 34 34 ALA C C 34 178.789 179.997 -1.208 1
1 402 . 1 1 1 A 34 34 ALA CA C 34 54.717 54.809 -0.092 1
1 403 . 1 1 1 A 34 34 ALA CB C 34 18.384 18.298 0.086 1
1 404 . 1 1 1 A 34 34 ALA N N 34 119.178 124.120 -4.942 1
1 405 . 1 1 1 A 35 35 ASN H H 35 7.354 8.072 -0.718 1
1 406 . 1 1 1 A 35 35 ASN HA H 35 4.572 4.661 -0.089 1
1 409 . 1 1 1 A 35 35 ASN C C 35 175.482 175.081 0.401 1
1 410 . 1 1 1 A 35 35 ASN CA C 35 52.835 53.880 -1.045 1
1 411 . 1 1 1 A 35 35 ASN CB C 35 39.178 39.092 0.086 1
1 412 . 1 1 1 A 35 35 ASN N N 35 113.033 117.183 -4.150 1
1 413 . 1 1 1 A 36 36 ALA H H 36 7.439 7.973 -0.534 1
1 414 . 1 1 1 A 36 36 ALA HA H 36 4.078 3.945 0.133 1
1 418 . 1 1 1 A 36 36 ALA C C 36 177.852 177.076 0.776 1
1 419 . 1 1 1 A 36 36 ALA CA C 36 53.179 54.176 -0.997 1
1 420 . 1 1 1 A 36 36 ALA CB C 36 19.460 17.990 1.470 1
1 421 . 1 1 1 A 36 36 ALA N N 36 123.843 120.823 3.020 1
1 422 . 1 1 1 A 37 37 LYS H H 37 8.739 8.856 -0.117 1
1 423 . 1 1 1 A 37 37 LYS HA H 37 4.238 4.159 0.079 1
1 428 . 1 1 1 A 37 37 LYS C C 37 176.652 175.303 1.349 1
1 429 . 1 1 1 A 37 37 LYS CA C 37 56.659 58.040 -1.381 1
1 430 . 1 1 1 A 37 37 LYS CB C 37 34.979 31.005 3.974 1
1 434 . 1 1 1 A 37 37 LYS N N 37 117.112 118.155 -1.043 1
1 435 . 1 1 1 A 38 38 THR H H 38 7.340 7.532 -0.192 1
1 436 . 1 1 1 A 38 38 THR HA H 38 4.515 4.714 -0.199 1
1 440 . 1 1 1 A 38 38 THR C C 38 173.974 174.580 -0.606 1
1 441 . 1 1 1 A 38 38 THR CA C 38 58.511 59.528 -1.017 1
1 442 . 1 1 1 A 38 38 THR CB C 38 72.797 68.777 4.020 1
1 444 . 1 1 1 A 38 38 THR N N 38 106.407 109.681 -3.274 1
1 445 . 1 1 1 A 39 39 VAL H H 39 8.886 8.157 0.729 1
1 446 . 1 1 1 A 39 39 VAL HA H 39 2.956 3.865 -0.909 1
1 451 . 1 1 1 A 39 39 VAL C C 39 176.754 177.182 -0.428 1
1 452 . 1 1 1 A 39 39 VAL CA C 39 67.409 65.521 1.888 1
1 453 . 1 1 1 A 39 39 VAL CB C 39 30.821 31.946 -1.125 1
1 455 . 1 1 1 A 39 39 VAL N N 39 122.964 123.652 -0.688 1
1 456 . 1 1 1 A 40 40 GLU H H 40 8.839 8.657 0.182 1
1 457 . 1 1 1 A 40 40 GLU HA H 40 3.865 4.099 -0.234 1
1 462 . 1 1 1 A 40 40 GLU C C 40 179.345 179.911 -0.566 1
1 463 . 1 1 1 A 40 40 GLU CA C 40 60.003 59.635 0.368 1
1 464 . 1 1 1 A 40 40 GLU CB C 40 28.676 29.115 -0.439 1
1 466 . 1 1 1 A 40 40 GLU N N 40 117.880 120.634 -2.754 1
1 467 . 1 1 1 A 41 41 GLY H H 41 8.095 8.300 -0.205 1
1 468 . 1 1 1 A 41 41 GLY HA2 H 41 3.931 3.729 0.202 1
1 469 . 1 1 1 A 41 41 GLY HA3 H 41 3.730 3.748 -0.018 1
1 470 . 1 1 1 A 41 41 GLY C C 41 176.271 175.669 0.602 1
1 471 . 1 1 1 A 41 41 GLY CA C 41 46.388 47.520 -1.132 1
1 472 . 1 1 1 A 41 41 GLY N N 41 108.686 108.640 0.046 1
1 473 . 1 1 1 A 42 42 VAL H H 42 7.772 9.105 -1.333 1
1 474 . 1 1 1 A 42 42 VAL HA H 42 3.087 3.781 -0.694 1
1 479 . 1 1 1 A 42 42 VAL C C 42 177.003 177.974 -0.971 1
1 480 . 1 1 1 A 42 42 VAL CA C 42 67.068 65.729 1.339 1
1 481 . 1 1 1 A 42 42 VAL CB C 42 30.987 31.576 -0.589 1
1 483 . 1 1 1 A 42 42 VAL N N 42 123.069 121.973 1.096 1
1 484 . 1 1 1 A 43 43 TRP H H 43 7.518 7.620 -0.102 1
1 485 . 1 1 1 A 43 43 TRP HA H 43 4.469 4.384 0.085 1
1 493 . 1 1 1 A 43 43 TRP C C 43 179.023 178.307 0.716 1
1 494 . 1 1 1 A 43 43 TRP CA C 43 59.134 60.741 -1.607 1
1 495 . 1 1 1 A 43 43 TRP CB C 43 29.437 29.414 0.023 1
1 500 . 1 1 1 A 43 43 TRP N N 43 118.322 121.424 -3.102 1
1 502 . 1 1 1 A 44 44 THR H H 44 8.408 8.306 0.102 1
1 503 . 1 1 1 A 44 44 THR HA H 44 3.971 4.151 -0.180 1
1 508 . 1 1 1 A 44 44 THR C C 44 177.047 176.514 0.533 1
1 509 . 1 1 1 A 44 44 THR CA C 44 66.396 67.080 -0.684 1
1 510 . 1 1 1 A 44 44 THR CB C 44 69.069 68.526 0.543 1
1 512 . 1 1 1 A 44 44 THR N N 44 114.912 115.651 -0.739 1
1 513 . 1 1 1 A 45 45 LEU H H 45 7.862 9.796 -1.934 1
1 514 . 1 1 1 A 45 45 LEU HA H 45 3.584 3.980 -0.396 1
1 521 . 1 1 1 A 45 45 LEU C C 45 178.189 179.641 -1.452 1
1 522 . 1 1 1 A 45 45 LEU CA C 45 57.671 57.859 -0.188 1
1 523 . 1 1 1 A 45 45 LEU CB C 45 42.389 41.376 1.013 1
1 525 . 1 1 1 A 45 45 LEU N N 45 123.153 120.868 2.285 1
1 526 . 1 1 1 A 46 46 LYS H H 46 8.569 7.530 1.039 1
1 527 . 1 1 1 A 46 46 LYS HA H 46 3.587 4.025 -0.438 1
1 532 . 1 1 1 A 46 46 LYS C C 46 177.354 178.671 -1.317 1
1 533 . 1 1 1 A 46 46 LYS CA C 46 60.799 59.603 1.196 1
1 534 . 1 1 1 A 46 46 LYS CB C 46 30.790 31.945 -1.155 1
1 536 . 1 1 1 A 46 46 LYS N N 46 119.398 120.935 -1.537 1
1 537 . 1 1 1 A 47 47 ASP H H 47 7.694 7.967 -0.273 1
1 538 . 1 1 1 A 47 47 ASP HA H 47 4.325 4.257 0.068 1
1 541 . 1 1 1 A 47 47 ASP C C 47 179.023 178.721 0.302 1
1 542 . 1 1 1 A 47 47 ASP CA C 47 57.107 56.691 0.416 1
1 543 . 1 1 1 A 47 47 ASP CB C 47 40.292 40.468 -0.176 1
1 544 . 1 1 1 A 47 47 ASP N N 47 116.887 119.556 -2.669 1
1 545 . 1 1 1 A 48 48 GLU H H 48 7.931 8.132 -0.201 1
1 546 . 1 1 1 A 48 48 GLU HA H 48 3.773 4.066 -0.293 1
1 551 . 1 1 1 A 48 48 GLU C C 48 179.125 178.433 0.692 1
1 552 . 1 1 1 A 48 48 GLU CA C 48 59.422 58.685 0.737 1
1 553 . 1 1 1 A 48 48 GLU CB C 48 29.598 29.522 0.076 1
1 555 . 1 1 1 A 48 48 GLU N N 48 121.719 118.924 2.795 1
1 556 . 1 1 1 A 49 49 ILE H H 49 8.553 8.681 -0.128 1
1 557 . 1 1 1 A 49 49 ILE HA H 49 3.424 3.201 0.223 1
1 565 . 1 1 1 A 49 49 ILE C C 49 178.262 177.030 1.232 1
1 566 . 1 1 1 A 49 49 ILE CA C 49 64.372 62.800 1.572 1
1 567 . 1 1 1 A 49 49 ILE CB C 49 38.278 37.047 1.231 1
1 571 . 1 1 1 A 49 49 ILE N N 49 120.672 120.131 0.541 1
1 572 . 1 1 1 A 50 50 LEU H H 50 7.831 7.417 0.414 1
1 573 . 1 1 1 A 50 50 LEU HA H 50 3.795 4.181 -0.386 1
1 580 . 1 1 1 A 50 50 LEU C C 50 178.247 179.006 -0.759 1
1 581 . 1 1 1 A 50 50 LEU CA C 50 57.039 57.451 -0.412 1
1 582 . 1 1 1 A 50 50 LEU CB C 50 41.815 42.127 -0.312 1
1 585 . 1 1 1 A 50 50 LEU N N 50 117.810 122.219 -4.409 1
1 586 . 1 1 1 A 51 51 THR H H 51 7.560 7.938 -0.378 1
1 587 . 1 1 1 A 51 51 THR HA H 51 4.066 3.975 0.091 1
1 592 . 1 1 1 A 51 51 THR C C 51 175.276 175.539 -0.263 1
1 593 . 1 1 1 A 51 51 THR CA C 51 63.281 66.358 -3.077 1
1 594 . 1 1 1 A 51 51 THR CB C 51 69.695 68.470 1.225 1
1 596 . 1 1 1 A 51 51 THR N N 51 110.196 115.457 -5.261 1
1 597 . 1 1 1 A 52 52 PHE H H 52 7.744 7.772 -0.028 1
1 598 . 1 1 1 A 52 52 PHE HA H 52 4.484 4.509 -0.025 1
1 605 . 1 1 1 A 52 52 PHE C C 52 176.549 175.160 1.389 1
1 606 . 1 1 1 A 52 52 PHE CA C 52 57.742 57.620 0.122 1
1 607 . 1 1 1 A 52 52 PHE CB C 52 37.819 39.256 -1.437 1
1 612 . 1 1 1 A 52 52 PHE N N 52 120.944 119.145 1.799 1
1 613 . 1 1 1 A 53 53 THR H H 53 8.028 7.920 0.108 1
1 614 . 1 1 1 A 53 53 THR HA H 53 4.085 4.383 -0.298 1
1 619 . 1 1 1 A 53 53 THR C C 53 174.471 172.365 2.106 1
1 620 . 1 1 1 A 53 53 THR CA C 53 62.330 61.052 1.278 1
1 621 . 1 1 1 A 53 53 THR CB C 53 69.725 69.363 0.362 1
1 623 . 1 1 1 A 53 53 THR N N 53 113.551 114.316 -0.765 1
1 624 . 1 1 1 A 54 54 VAL H H 54 7.827 8.033 -0.206 1
1 625 . 1 1 1 A 54 54 VAL HA H 54 4.047 4.694 -0.647 1
1 630 . 1 1 1 A 54 54 VAL C C 54 176.067 175.534 0.533 1
1 631 . 1 1 1 A 54 54 VAL CA C 54 62.299 61.130 1.169 1
1 632 . 1 1 1 A 54 54 VAL CB C 54 32.633 33.837 -1.204 1
1 634 . 1 1 1 A 54 54 VAL N N 54 122.128 125.053 -2.925 1
1 635 . 1 1 1 A 55 55 THR H H 55 8.233 8.503 -0.270 1
1 636 . 1 1 1 A 55 55 THR HA H 55 4.212 4.720 -0.508 1
1 640 . 1 1 1 A 55 55 THR C C 55 173.647 174.740 -1.093 1
1 641 . 1 1 1 A 55 55 THR CA C 55 61.620 60.632 0.988 1
1 642 . 1 1 1 A 55 55 THR CB C 55 69.862 68.481 1.381 1
1 644 . 1 1 1 A 55 55 THR N N 55 118.471 116.446 2.025 1
1 3 . 2 1 1 A 2 2 THR H H 2 7.970 8.353 -0.383 1
1 4 . 2 1 1 A 2 2 THR HA H 2 4.183 4.181 0.002 1
1 9 . 2 1 1 A 2 2 THR C C 2 173.875 174.598 -0.723 1
1 10 . 2 1 1 A 2 2 THR CA C 2 61.768 61.909 -0.141 1
1 11 . 2 1 1 A 2 2 THR CB C 2 69.631 70.350 -0.719 1
1 13 . 2 1 1 A 2 2 THR N N 2 128.423 112.169 16.254 1
1 14 . 2 1 1 A 3 3 TYR H H 3 8.247 8.091 0.156 1
1 15 . 2 1 1 A 3 3 TYR HA H 3 4.271 4.200 0.071 1
1 22 . 2 1 1 A 3 3 TYR C C 3 175.714 174.651 1.063 1
1 23 . 2 1 1 A 3 3 TYR CA C 3 58.145 58.967 -0.822 1
1 24 . 2 1 1 A 3 3 TYR CB C 3 38.753 36.280 2.473 1
1 27 . 2 1 1 A 3 3 TYR N N 3 123.871 121.836 2.035 1
1 28 . 2 1 1 A 4 4 LYS H H 4 8.009 7.818 0.191 1
1 29 . 2 1 1 A 4 4 LYS HA H 4 3.963 4.568 -0.605 1
1 36 . 2 1 1 A 4 4 LYS C C 4 175.979 176.464 -0.485 1
1 37 . 2 1 1 A 4 4 LYS CA C 4 56.821 57.703 -0.882 1
1 38 . 2 1 1 A 4 4 LYS CB C 4 32.981 34.870 -1.889 1
1 40 . 2 1 1 A 4 4 LYS N N 4 122.309 119.152 3.157 1
1 41 . 2 1 1 A 5 5 LEU H H 5 7.918 7.851 0.067 1
1 42 . 2 1 1 A 5 5 LEU HA H 5 4.151 4.160 -0.009 1
1 49 . 2 1 1 A 5 5 LEU C C 5 176.945 175.566 1.379 1
1 50 . 2 1 1 A 5 5 LEU CA C 5 55.320 55.717 -0.397 1
1 51 . 2 1 1 A 5 5 LEU CB C 5 42.054 41.132 0.922 1
1 55 . 2 1 1 A 5 5 LEU N N 5 121.830 118.478 3.352 1
1 56 . 2 1 1 A 6 6 ILE H H 6 7.974 8.822 -0.848 1
1 57 . 2 1 1 A 6 6 ILE HA H 6 3.959 4.630 -0.671 1
1 67 . 2 1 1 A 6 6 ILE C C 6 176.110 175.000 1.110 1
1 68 . 2 1 1 A 6 6 ILE CA C 6 61.287 60.682 0.605 1
1 69 . 2 1 1 A 6 6 ILE CB C 6 38.228 37.972 0.256 1
1 73 . 2 1 1 A 6 6 ILE N N 6 121.898 126.136 -4.238 1
1 74 . 2 1 1 A 7 7 LEU H H 7 8.071 9.118 -1.047 1
1 75 . 2 1 1 A 7 7 LEU HA H 7 4.316 5.055 -0.739 1
1 82 . 2 1 1 A 7 7 LEU C C 7 176.915 176.658 0.257 1
1 83 . 2 1 1 A 7 7 LEU CA C 7 55.177 53.481 1.696 1
1 84 . 2 1 1 A 7 7 LEU CB C 7 43.080 46.060 -2.980 1
1 86 . 2 1 1 A 7 7 LEU N N 7 125.296 128.320 -3.024 1
1 87 . 2 1 1 A 8 8 ASN H H 8 8.021 8.516 -0.495 1
1 88 . 2 1 1 A 8 8 ASN HA H 8 4.570 5.100 -0.530 1
1 91 . 2 1 1 A 8 8 ASN C C 8 175.203 176.449 -1.246 1
1 92 . 2 1 1 A 8 8 ASN CA C 8 52.320 52.059 0.261 1
1 93 . 2 1 1 A 8 8 ASN CB C 8 39.229 38.612 0.617 1
1 94 . 2 1 1 A 8 8 ASN N N 8 117.805 118.082 -0.277 1
1 95 . 2 1 1 A 9 9 LEU H H 9 8.385 8.097 0.288 1
1 96 . 2 1 1 A 9 9 LEU HA H 9 3.718 4.070 -0.352 1
1 106 . 2 1 1 A 9 9 LEU C C 9 177.150 178.792 -1.642 1
1 107 . 2 1 1 A 9 9 LEU CA C 9 58.501 57.714 0.787 1
1 108 . 2 1 1 A 9 9 LEU CB C 9 42.085 41.635 0.450 1
1 111 . 2 1 1 A 9 9 LEU N N 9 122.110 119.475 2.635 1
1 112 . 2 1 1 A 10 10 LYS H H 10 8.027 8.243 -0.216 1
1 113 . 2 1 1 A 10 10 LYS HA H 10 3.824 3.895 -0.071 1
1 118 . 2 1 1 A 10 10 LYS C C 10 178.555 178.536 0.019 1
1 119 . 2 1 1 A 10 10 LYS CA C 10 59.893 59.683 0.210 1
1 120 . 2 1 1 A 10 10 LYS CB C 10 32.143 32.221 -0.078 1
1 123 . 2 1 1 A 10 10 LYS N N 10 118.739 118.933 -0.194 1
1 124 . 2 1 1 A 11 11 GLN H H 11 7.574 8.125 -0.551 1
1 125 . 2 1 1 A 11 11 GLN HA H 11 3.984 4.182 -0.198 1
1 130 . 2 1 1 A 11 11 GLN C C 11 175.218 178.235 -3.017 1
1 131 . 2 1 1 A 11 11 GLN CA C 11 59.252 58.169 1.083 1
1 132 . 2 1 1 A 11 11 GLN CB C 11 29.579 29.233 0.346 1
1 134 . 2 1 1 A 11 11 GLN N N 11 117.396 118.177 -0.781 1
1 135 . 2 1 1 A 12 12 ALA H H 12 8.432 7.881 0.551 1
1 136 . 2 1 1 A 12 12 ALA HA H 12 4.001 4.131 -0.130 1
1 140 . 2 1 1 A 12 12 ALA C C 12 179.374 180.047 -0.673 1
1 141 . 2 1 1 A 12 12 ALA CA C 12 55.373 55.037 0.336 1
1 142 . 2 1 1 A 12 12 ALA CB C 12 18.214 18.493 -0.279 1
1 143 . 2 1 1 A 12 12 ALA N N 12 122.547 122.961 -0.414 1
1 144 . 2 1 1 A 13 13 LYS H H 13 8.276 8.320 -0.044 1
1 145 . 2 1 1 A 13 13 LYS HA H 13 3.404 4.117 -0.713 1
1 152 . 2 1 1 A 13 13 LYS C C 13 178.467 179.187 -0.720 1
1 153 . 2 1 1 A 13 13 LYS CA C 13 60.801 59.099 1.702 1
1 154 . 2 1 1 A 13 13 LYS CB C 13 33.111 32.274 0.837 1
1 157 . 2 1 1 A 13 13 LYS N N 13 116.459 117.267 -0.808 1
1 158 . 2 1 1 A 14 14 GLU H H 14 7.840 7.995 -0.155 1
1 159 . 2 1 1 A 14 14 GLU HA H 14 3.755 4.014 -0.259 1
1 164 . 2 1 1 A 14 14 GLU C C 14 177.720 178.996 -1.276 1
1 165 . 2 1 1 A 14 14 GLU CA C 14 59.737 59.519 0.218 1
1 166 . 2 1 1 A 14 14 GLU CB C 14 29.453 29.161 0.292 1
1 168 . 2 1 1 A 14 14 GLU N N 14 116.581 119.834 -3.253 1
1 169 . 2 1 1 A 15 15 GLU H H 15 8.269 8.621 -0.352 1
1 170 . 2 1 1 A 15 15 GLU HA H 15 3.961 4.060 -0.099 1
1 175 . 2 1 1 A 15 15 GLU C C 15 178.438 178.735 -0.297 1
1 176 . 2 1 1 A 15 15 GLU CA C 15 58.383 59.117 -0.734 1
1 177 . 2 1 1 A 15 15 GLU CB C 15 28.994 29.158 -0.164 1
1 179 . 2 1 1 A 15 15 GLU N N 15 115.657 120.078 -4.421 1
1 180 . 2 1 1 A 16 16 ALA H H 16 8.500 8.005 0.495 1
1 181 . 2 1 1 A 16 16 ALA HA H 16 3.939 4.029 -0.090 1
1 185 . 2 1 1 A 16 16 ALA C C 16 179.330 179.891 -0.561 1
1 186 . 2 1 1 A 16 16 ALA CA C 16 55.401 54.994 0.407 1
1 187 . 2 1 1 A 16 16 ALA CB C 16 18.980 18.569 0.411 1
1 188 . 2 1 1 A 16 16 ALA N N 16 122.087 121.755 0.332 1
1 189 . 2 1 1 A 17 17 ILE H H 17 8.598 8.524 0.074 1
1 190 . 2 1 1 A 17 17 ILE HA H 17 3.334 3.617 -0.283 1
1 195 . 2 1 1 A 17 17 ILE C C 17 177.120 177.911 -0.791 1
1 196 . 2 1 1 A 17 17 ILE CA C 17 66.876 65.514 1.362 1
1 197 . 2 1 1 A 17 17 ILE CB C 17 37.817 37.912 -0.095 1
1 200 . 2 1 1 A 17 17 ILE N N 17 117.395 118.799 -1.404 1
1 201 . 2 1 1 A 18 18 LYS H H 18 7.633 7.706 -0.073 1
1 202 . 2 1 1 A 18 18 LYS HA H 18 3.748 3.943 -0.195 1
1 209 . 2 1 1 A 18 18 LYS C C 18 179.199 179.940 -0.741 1
1 210 . 2 1 1 A 18 18 LYS CA C 18 60.001 59.935 0.066 1
1 211 . 2 1 1 A 18 18 LYS CB C 18 32.538 31.996 0.542 1
1 213 . 2 1 1 A 18 18 LYS N N 18 119.143 118.765 0.378 1
1 214 . 2 1 1 A 19 19 GLU H H 19 8.192 7.980 0.212 1
1 215 . 2 1 1 A 19 19 GLU HA H 19 3.942 4.068 -0.126 1
1 220 . 2 1 1 A 19 19 GLU C C 19 179.813 179.068 0.745 1
1 221 . 2 1 1 A 19 19 GLU CA C 19 59.577 59.061 0.516 1
1 222 . 2 1 1 A 19 19 GLU CB C 19 29.756 29.227 0.529 1
1 224 . 2 1 1 A 19 19 GLU N N 19 118.201 120.378 -2.177 1
1 225 . 2 1 1 A 20 20 LEU H H 20 8.128 7.989 0.139 1
1 226 . 2 1 1 A 20 20 LEU HA H 20 3.877 4.163 -0.286 1
1 233 . 2 1 1 A 20 20 LEU C C 20 178.906 178.741 0.165 1
1 234 . 2 1 1 A 20 20 LEU CA C 20 58.171 57.704 0.467 1
1 235 . 2 1 1 A 20 20 LEU CB C 20 41.496 41.834 -0.338 1
1 238 . 2 1 1 A 20 20 LEU N N 20 119.841 121.577 -1.736 1
1 239 . 2 1 1 A 21 21 VAL H H 21 9.063 8.514 0.549 1
1 240 . 2 1 1 A 21 21 VAL HA H 21 3.608 3.567 0.041 1
1 245 . 2 1 1 A 21 21 VAL C C 21 176.301 177.758 -1.457 1
1 246 . 2 1 1 A 21 21 VAL CA C 21 66.684 67.194 -0.510 1
1 247 . 2 1 1 A 21 21 VAL CB C 21 31.879 31.349 0.530 1
1 249 . 2 1 1 A 21 21 VAL N N 21 122.114 119.444 2.670 1
1 250 . 2 1 1 A 22 22 ASP H H 22 8.427 8.076 0.351 1
1 251 . 2 1 1 A 22 22 ASP HA H 22 4.276 4.577 -0.301 1
1 254 . 2 1 1 A 22 22 ASP C C 22 177.428 178.070 -0.642 1
1 255 . 2 1 1 A 22 22 ASP CA C 22 57.143 56.448 0.695 1
1 256 . 2 1 1 A 22 22 ASP CB C 22 40.015 41.565 -1.550 1
1 257 . 2 1 1 A 22 22 ASP N N 22 122.544 120.353 2.191 1
1 258 . 2 1 1 A 23 23 ALA H H 23 7.451 7.847 -0.396 1
1 259 . 2 1 1 A 23 23 ALA HA H 23 4.284 4.306 -0.022 1
1 263 . 2 1 1 A 23 23 ALA C C 23 177.647 177.851 -0.204 1
1 264 . 2 1 1 A 23 23 ALA CA C 23 52.140 52.166 -0.026 1
1 265 . 2 1 1 A 23 23 ALA CB C 23 19.094 19.700 -0.606 1
1 266 . 2 1 1 A 23 23 ALA N N 23 119.690 118.728 0.962 1
1 267 . 2 1 1 A 24 24 GLY H H 24 8.007 8.488 -0.481 1
1 268 . 2 1 1 A 24 24 GLY HA2 H 24 3.930 3.896 0.034 1
1 269 . 2 1 1 A 24 24 GLY HA3 H 24 3.786 3.908 -0.122 1
1 270 . 2 1 1 A 24 24 GLY C C 24 174.852 173.675 1.177 1
1 271 . 2 1 1 A 24 24 GLY CA C 24 45.939 46.986 -1.047 1
1 272 . 2 1 1 A 24 24 GLY N N 24 107.876 107.388 0.488 1
1 273 . 2 1 1 A 25 25 ILE H H 25 7.628 7.696 -0.068 1
1 274 . 2 1 1 A 25 25 ILE HA H 25 3.880 4.591 -0.711 1
1 281 . 2 1 1 A 25 25 ILE C C 25 174.954 174.677 0.277 1
1 282 . 2 1 1 A 25 25 ILE CA C 25 58.787 59.652 -0.865 1
1 283 . 2 1 1 A 25 25 ILE CB C 25 36.014 40.837 -4.823 1
1 286 . 2 1 1 A 25 25 ILE N N 25 121.226 117.513 3.713 1
1 287 . 2 1 1 A 26 26 ALA H H 26 8.454 8.855 -0.401 1
1 288 . 2 1 1 A 26 26 ALA HA H 26 4.164 3.990 0.174 1
1 292 . 2 1 1 A 26 26 ALA C C 26 178.921 177.523 1.398 1
1 293 . 2 1 1 A 26 26 ALA CA C 26 52.978 52.955 0.023 1
1 294 . 2 1 1 A 26 26 ALA CB C 26 19.648 17.807 1.841 1
1 295 . 2 1 1 A 26 26 ALA N N 26 127.062 124.713 2.349 1
1 296 . 2 1 1 A 27 27 GLU H H 27 8.652 8.345 0.307 1
1 297 . 2 1 1 A 27 27 GLU HA H 27 3.728 3.973 -0.245 1
1 302 . 2 1 1 A 27 27 GLU C C 27 179.886 178.149 1.737 1
1 303 . 2 1 1 A 27 27 GLU CA C 27 59.830 59.519 0.311 1
1 304 . 2 1 1 A 27 27 GLU CB C 27 29.682 29.287 0.395 1
1 306 . 2 1 1 A 27 27 GLU N N 27 122.104 124.278 -2.174 1
1 307 . 2 1 1 A 28 28 LYS H H 28 8.315 8.165 0.150 1
1 308 . 2 1 1 A 28 28 LYS HA H 28 3.789 4.003 -0.214 1
1 315 . 2 1 1 A 28 28 LYS C C 28 177.179 178.589 -1.410 1
1 316 . 2 1 1 A 28 28 LYS CA C 28 58.673 59.347 -0.674 1
1 317 . 2 1 1 A 28 28 LYS CB C 28 31.279 32.054 -0.775 1
1 320 . 2 1 1 A 28 28 LYS N N 28 119.368 119.063 0.305 1
1 321 . 2 1 1 A 29 29 TYR H H 29 7.372 7.886 -0.514 1
1 322 . 2 1 1 A 29 29 TYR HA H 29 4.448 4.263 0.185 1
1 329 . 2 1 1 A 29 29 TYR C C 29 177.413 178.505 -1.092 1
1 330 . 2 1 1 A 29 29 TYR CA C 29 59.246 60.835 -1.589 1
1 331 . 2 1 1 A 29 29 TYR CB C 29 38.528 37.495 1.033 1
1 336 . 2 1 1 A 29 29 TYR N N 29 116.907 118.880 -1.973 1
1 337 . 2 1 1 A 30 30 ILE H H 30 7.448 8.450 -1.002 1
1 338 . 2 1 1 A 30 30 ILE HA H 30 3.359 3.861 -0.502 1
1 345 . 2 1 1 A 30 30 ILE C C 30 177.662 177.574 0.088 1
1 346 . 2 1 1 A 30 30 ILE CA C 30 65.541 63.531 2.010 1
1 347 . 2 1 1 A 30 30 ILE CB C 30 37.362 37.513 -0.151 1
1 350 . 2 1 1 A 30 30 ILE N N 30 120.953 120.833 0.120 1
1 351 . 2 1 1 A 31 31 LYS H H 31 7.835 8.068 -0.233 1
1 352 . 2 1 1 A 31 31 LYS HA H 31 3.831 4.041 -0.210 1
1 357 . 2 1 1 A 31 31 LYS C C 31 178.218 179.286 -1.068 1
1 358 . 2 1 1 A 31 31 LYS CA C 31 58.702 59.047 -0.345 1
1 359 . 2 1 1 A 31 31 LYS CB C 31 32.198 31.977 0.221 1
1 363 . 2 1 1 A 31 31 LYS N N 31 116.536 121.987 -5.451 1
1 364 . 2 1 1 A 32 32 LEU H H 32 7.335 7.658 -0.323 1
1 365 . 2 1 1 A 32 32 LEU HA H 32 3.905 3.911 -0.006 1
1 372 . 2 1 1 A 32 32 LEU C C 32 179.901 179.036 0.865 1
1 373 . 2 1 1 A 32 32 LEU CA C 32 57.366 57.839 -0.473 1
1 374 . 2 1 1 A 32 32 LEU CB C 32 41.550 41.278 0.272 1
1 377 . 2 1 1 A 32 32 LEU N N 32 117.191 118.646 -1.455 1
1 378 . 2 1 1 A 33 33 ILE H H 33 7.409 7.422 -0.013 1
1 379 . 2 1 1 A 33 33 ILE HA H 33 3.522 4.014 -0.492 1
1 389 . 2 1 1 A 33 33 ILE C C 33 177.354 178.202 -0.848 1
1 390 . 2 1 1 A 33 33 ILE CA C 33 62.128 63.563 -1.435 1
1 391 . 2 1 1 A 33 33 ILE CB C 33 35.578 37.925 -2.347 1
1 395 . 2 1 1 A 33 33 ILE N N 33 117.873 115.364 2.509 1
1 396 . 2 1 1 A 34 34 ALA H H 34 7.615 8.738 -1.123 1
1 397 . 2 1 1 A 34 34 ALA HA H 34 3.774 4.060 -0.286 1
1 401 . 2 1 1 A 34 34 ALA C C 34 178.789 180.144 -1.355 1
1 402 . 2 1 1 A 34 34 ALA CA C 34 54.717 54.781 -0.064 1
1 403 . 2 1 1 A 34 34 ALA CB C 34 18.384 18.261 0.123 1
1 404 . 2 1 1 A 34 34 ALA N N 34 119.178 123.884 -4.706 1
1 405 . 2 1 1 A 35 35 ASN H H 35 7.354 8.062 -0.708 1
1 406 . 2 1 1 A 35 35 ASN HA H 35 4.572 4.659 -0.087 1
1 409 . 2 1 1 A 35 35 ASN C C 35 175.482 175.149 0.333 1
1 410 . 2 1 1 A 35 35 ASN CA C 35 52.835 54.060 -1.225 1
1 411 . 2 1 1 A 35 35 ASN CB C 35 39.178 39.014 0.164 1
1 412 . 2 1 1 A 35 35 ASN N N 35 113.033 116.889 -3.856 1
1 413 . 2 1 1 A 36 36 ALA H H 36 7.439 7.921 -0.482 1
1 414 . 2 1 1 A 36 36 ALA HA H 36 4.078 3.964 0.114 1
1 418 . 2 1 1 A 36 36 ALA C C 36 177.852 177.073 0.779 1
1 419 . 2 1 1 A 36 36 ALA CA C 36 53.179 54.052 -0.873 1
1 420 . 2 1 1 A 36 36 ALA CB C 36 19.460 17.939 1.521 1
1 421 . 2 1 1 A 36 36 ALA N N 36 123.843 121.081 2.762 1
1 422 . 2 1 1 A 37 37 LYS H H 37 8.739 8.833 -0.094 1
1 423 . 2 1 1 A 37 37 LYS HA H 37 4.238 4.328 -0.090 1
1 428 . 2 1 1 A 37 37 LYS C C 37 176.652 175.458 1.194 1
1 429 . 2 1 1 A 37 37 LYS CA C 37 56.659 57.913 -1.254 1
1 430 . 2 1 1 A 37 37 LYS CB C 37 34.979 32.424 2.555 1
1 434 . 2 1 1 A 37 37 LYS N N 37 117.112 119.111 -1.999 1
1 435 . 2 1 1 A 38 38 THR H H 38 7.340 7.811 -0.471 1
1 436 . 2 1 1 A 38 38 THR HA H 38 4.515 4.655 -0.140 1
1 440 . 2 1 1 A 38 38 THR C C 38 173.974 174.822 -0.848 1
1 441 . 2 1 1 A 38 38 THR CA C 38 58.511 61.139 -2.628 1
1 442 . 2 1 1 A 38 38 THR CB C 38 72.797 69.254 3.543 1
1 444 . 2 1 1 A 38 38 THR N N 38 106.407 114.250 -7.843 1
1 445 . 2 1 1 A 39 39 VAL H H 39 8.886 8.240 0.646 1
1 446 . 2 1 1 A 39 39 VAL HA H 39 2.956 3.859 -0.903 1
1 451 . 2 1 1 A 39 39 VAL C C 39 176.754 177.114 -0.360 1
1 452 . 2 1 1 A 39 39 VAL CA C 39 67.409 65.320 2.089 1
1 453 . 2 1 1 A 39 39 VAL CB C 39 30.821 31.944 -1.123 1
1 455 . 2 1 1 A 39 39 VAL N N 39 122.964 126.493 -3.529 1
1 456 . 2 1 1 A 40 40 GLU H H 40 8.839 8.694 0.145 1
1 457 . 2 1 1 A 40 40 GLU HA H 40 3.865 4.117 -0.252 1
1 462 . 2 1 1 A 40 40 GLU C C 40 179.345 180.071 -0.726 1
1 463 . 2 1 1 A 40 40 GLU CA C 40 60.003 59.552 0.451 1
1 464 . 2 1 1 A 40 40 GLU CB C 40 28.676 28.971 -0.295 1
1 466 . 2 1 1 A 40 40 GLU N N 40 117.880 120.664 -2.784 1
1 467 . 2 1 1 A 41 41 GLY H H 41 8.095 8.298 -0.203 1
1 468 . 2 1 1 A 41 41 GLY HA2 H 41 3.931 3.741 0.190 1
1 469 . 2 1 1 A 41 41 GLY HA3 H 41 3.730 3.768 -0.038 1
1 470 . 2 1 1 A 41 41 GLY C C 41 176.271 175.678 0.593 1
1 471 . 2 1 1 A 41 41 GLY CA C 41 46.388 47.553 -1.165 1
1 472 . 2 1 1 A 41 41 GLY N N 41 108.686 109.166 -0.480 1
1 473 . 2 1 1 A 42 42 VAL H H 42 7.772 9.107 -1.335 1
1 474 . 2 1 1 A 42 42 VAL HA H 42 3.087 3.776 -0.689 1
1 479 . 2 1 1 A 42 42 VAL C C 42 177.003 177.952 -0.949 1
1 480 . 2 1 1 A 42 42 VAL CA C 42 67.068 65.722 1.346 1
1 481 . 2 1 1 A 42 42 VAL CB C 42 30.987 31.565 -0.578 1
1 483 . 2 1 1 A 42 42 VAL N N 42 123.069 121.970 1.099 1
1 484 . 2 1 1 A 43 43 TRP H H 43 7.518 7.605 -0.087 1
1 485 . 2 1 1 A 43 43 TRP HA H 43 4.469 4.365 0.104 1
1 493 . 2 1 1 A 43 43 TRP C C 43 179.023 178.301 0.722 1
1 494 . 2 1 1 A 43 43 TRP CA C 43 59.134 60.187 -1.053 1
1 495 . 2 1 1 A 43 43 TRP CB C 43 29.437 29.613 -0.176 1
1 500 . 2 1 1 A 43 43 TRP N N 43 118.322 121.425 -3.103 1
1 502 . 2 1 1 A 44 44 THR H H 44 8.408 8.395 0.013 1
1 503 . 2 1 1 A 44 44 THR HA H 44 3.971 4.245 -0.274 1
1 508 . 2 1 1 A 44 44 THR C C 44 177.047 176.706 0.341 1
1 509 . 2 1 1 A 44 44 THR CA C 44 66.396 67.134 -0.738 1
1 510 . 2 1 1 A 44 44 THR CB C 44 69.069 68.601 0.468 1
1 512 . 2 1 1 A 44 44 THR N N 44 114.912 115.678 -0.766 1
1 513 . 2 1 1 A 45 45 LEU H H 45 7.862 9.702 -1.840 1
1 514 . 2 1 1 A 45 45 LEU HA H 45 3.584 3.987 -0.403 1
1 521 . 2 1 1 A 45 45 LEU C C 45 178.189 179.641 -1.452 1
1 522 . 2 1 1 A 45 45 LEU CA C 45 57.671 57.866 -0.195 1
1 523 . 2 1 1 A 45 45 LEU CB C 45 42.389 40.955 1.434 1
1 525 . 2 1 1 A 45 45 LEU N N 45 123.153 121.095 2.058 1
1 526 . 2 1 1 A 46 46 LYS H H 46 8.569 7.563 1.006 1
1 527 . 2 1 1 A 46 46 LYS HA H 46 3.587 4.029 -0.442 1
1 532 . 2 1 1 A 46 46 LYS C C 46 177.354 178.805 -1.451 1
1 533 . 2 1 1 A 46 46 LYS CA C 46 60.799 59.600 1.199 1
1 534 . 2 1 1 A 46 46 LYS CB C 46 30.790 31.956 -1.166 1
1 536 . 2 1 1 A 46 46 LYS N N 46 119.398 120.945 -1.547 1
1 537 . 2 1 1 A 47 47 ASP H H 47 7.694 7.966 -0.272 1
1 538 . 2 1 1 A 47 47 ASP HA H 47 4.325 4.170 0.155 1
1 541 . 2 1 1 A 47 47 ASP C C 47 179.023 178.897 0.126 1
1 542 . 2 1 1 A 47 47 ASP CA C 47 57.107 57.002 0.105 1
1 543 . 2 1 1 A 47 47 ASP CB C 47 40.292 40.589 -0.297 1
1 544 . 2 1 1 A 47 47 ASP N N 47 116.887 119.130 -2.243 1
1 545 . 2 1 1 A 48 48 GLU H H 48 7.931 7.852 0.079 1
1 546 . 2 1 1 A 48 48 GLU HA H 48 3.773 4.059 -0.286 1
1 551 . 2 1 1 A 48 48 GLU C C 48 179.125 178.342 0.783 1
1 552 . 2 1 1 A 48 48 GLU CA C 48 59.422 58.698 0.724 1
1 553 . 2 1 1 A 48 48 GLU CB C 48 29.598 29.512 0.086 1
1 555 . 2 1 1 A 48 48 GLU N N 48 121.719 119.481 2.238 1
1 556 . 2 1 1 A 49 49 ILE H H 49 8.553 8.643 -0.090 1
1 557 . 2 1 1 A 49 49 ILE HA H 49 3.424 3.179 0.245 1
1 565 . 2 1 1 A 49 49 ILE C C 49 178.262 177.027 1.235 1
1 566 . 2 1 1 A 49 49 ILE CA C 49 64.372 62.529 1.843 1
1 567 . 2 1 1 A 49 49 ILE CB C 49 38.278 37.081 1.197 1
1 571 . 2 1 1 A 49 49 ILE N N 49 120.672 120.113 0.559 1
1 572 . 2 1 1 A 50 50 LEU H H 50 7.831 7.493 0.338 1
1 573 . 2 1 1 A 50 50 LEU HA H 50 3.795 4.130 -0.335 1
1 580 . 2 1 1 A 50 50 LEU C C 50 178.247 179.120 -0.873 1
1 581 . 2 1 1 A 50 50 LEU CA C 50 57.039 57.461 -0.422 1
1 582 . 2 1 1 A 50 50 LEU CB C 50 41.815 42.141 -0.326 1
1 585 . 2 1 1 A 50 50 LEU N N 50 117.810 122.057 -4.247 1
1 586 . 2 1 1 A 51 51 THR H H 51 7.560 8.008 -0.448 1
1 587 . 2 1 1 A 51 51 THR HA H 51 4.066 4.051 0.015 1
1 592 . 2 1 1 A 51 51 THR C C 51 175.276 175.389 -0.113 1
1 593 . 2 1 1 A 51 51 THR CA C 51 63.281 65.236 -1.955 1
1 594 . 2 1 1 A 51 51 THR CB C 51 69.695 68.445 1.250 1
1 596 . 2 1 1 A 51 51 THR N N 51 110.196 115.535 -5.339 1
1 597 . 2 1 1 A 52 52 PHE H H 52 7.744 7.617 0.127 1
1 598 . 2 1 1 A 52 52 PHE HA H 52 4.484 4.519 -0.035 1
1 605 . 2 1 1 A 52 52 PHE C C 52 176.549 175.407 1.142 1
1 606 . 2 1 1 A 52 52 PHE CA C 52 57.742 57.426 0.316 1
1 607 . 2 1 1 A 52 52 PHE CB C 52 37.819 39.290 -1.471 1
1 612 . 2 1 1 A 52 52 PHE N N 52 120.944 116.909 4.035 1
1 613 . 2 1 1 A 53 53 THR H H 53 8.028 7.083 0.945 1
1 614 . 2 1 1 A 53 53 THR HA H 53 4.085 4.532 -0.447 1
1 619 . 2 1 1 A 53 53 THR C C 53 174.471 173.169 1.302 1
1 620 . 2 1 1 A 53 53 THR CA C 53 62.330 61.172 1.158 1
1 621 . 2 1 1 A 53 53 THR CB C 53 69.725 69.229 0.496 1
1 623 . 2 1 1 A 53 53 THR N N 53 113.551 114.896 -1.345 1
1 624 . 2 1 1 A 54 54 VAL H H 54 7.827 8.547 -0.720 1
1 625 . 2 1 1 A 54 54 VAL HA H 54 4.047 4.780 -0.733 1
1 630 . 2 1 1 A 54 54 VAL C C 54 176.067 174.528 1.539 1
1 631 . 2 1 1 A 54 54 VAL CA C 54 62.299 60.849 1.450 1
1 632 . 2 1 1 A 54 54 VAL CB C 54 32.633 34.488 -1.855 1
1 634 . 2 1 1 A 54 54 VAL N N 54 122.128 125.325 -3.197 1
1 635 . 2 1 1 A 55 55 THR H H 55 8.233 8.820 -0.587 1
1 636 . 2 1 1 A 55 55 THR HA H 55 4.212 4.716 -0.504 1
1 640 . 2 1 1 A 55 55 THR C C 55 173.647 174.558 -0.911 1
1 641 . 2 1 1 A 55 55 THR CA C 55 61.620 60.897 0.723 1
1 642 . 2 1 1 A 55 55 THR CB C 55 69.862 70.828 -0.966 1
1 644 . 2 1 1 A 55 55 THR N N 55 118.471 121.902 -3.431 1
1 3 . 3 1 1 A 2 2 THR H H 2 7.970 8.679 -0.709 1
1 4 . 3 1 1 A 2 2 THR HA H 2 4.183 4.583 -0.400 1
1 9 . 3 1 1 A 2 2 THR C C 2 173.875 175.176 -1.301 1
1 10 . 3 1 1 A 2 2 THR CA C 2 61.768 62.238 -0.470 1
1 11 . 3 1 1 A 2 2 THR CB C 2 69.631 70.495 -0.864 1
1 13 . 3 1 1 A 2 2 THR N N 2 128.423 118.391 10.032 1
1 14 . 3 1 1 A 3 3 TYR H H 3 8.247 8.101 0.146 1
1 15 . 3 1 1 A 3 3 TYR HA H 3 4.271 4.135 0.136 1
1 22 . 3 1 1 A 3 3 TYR C C 3 175.714 175.005 0.709 1
1 23 . 3 1 1 A 3 3 TYR CA C 3 58.145 58.918 -0.773 1
1 24 . 3 1 1 A 3 3 TYR CB C 3 38.753 36.997 1.756 1
1 27 . 3 1 1 A 3 3 TYR N N 3 123.871 121.145 2.726 1
1 28 . 3 1 1 A 4 4 LYS H H 4 8.009 7.792 0.217 1
1 29 . 3 1 1 A 4 4 LYS HA H 4 3.963 4.644 -0.681 1
1 36 . 3 1 1 A 4 4 LYS C C 4 175.979 174.552 1.427 1
1 37 . 3 1 1 A 4 4 LYS CA C 4 56.821 55.686 1.135 1
1 38 . 3 1 1 A 4 4 LYS CB C 4 32.981 32.700 0.281 1
1 40 . 3 1 1 A 4 4 LYS N N 4 122.309 119.429 2.880 1
1 41 . 3 1 1 A 5 5 LEU H H 5 7.918 8.715 -0.797 1
1 42 . 3 1 1 A 5 5 LEU HA H 5 4.151 4.959 -0.808 1
1 49 . 3 1 1 A 5 5 LEU C C 5 176.945 175.817 1.128 1
1 50 . 3 1 1 A 5 5 LEU CA C 5 55.320 54.504 0.816 1
1 51 . 3 1 1 A 5 5 LEU CB C 5 42.054 43.834 -1.780 1
1 55 . 3 1 1 A 5 5 LEU N N 5 121.830 125.794 -3.964 1
1 56 . 3 1 1 A 6 6 ILE H H 6 7.974 8.885 -0.911 1
1 57 . 3 1 1 A 6 6 ILE HA H 6 3.959 4.444 -0.485 1
1 67 . 3 1 1 A 6 6 ILE C C 6 176.110 175.770 0.340 1
1 68 . 3 1 1 A 6 6 ILE CA C 6 61.287 61.394 -0.107 1
1 69 . 3 1 1 A 6 6 ILE CB C 6 38.228 39.694 -1.466 1
1 73 . 3 1 1 A 6 6 ILE N N 6 121.898 118.769 3.129 1
1 74 . 3 1 1 A 7 7 LEU H H 7 8.071 7.803 0.268 1
1 75 . 3 1 1 A 7 7 LEU HA H 7 4.316 4.573 -0.257 1
1 82 . 3 1 1 A 7 7 LEU C C 7 176.915 174.930 1.985 1
1 83 . 3 1 1 A 7 7 LEU CA C 7 55.177 54.177 1.000 1
1 84 . 3 1 1 A 7 7 LEU CB C 7 43.080 43.906 -0.826 1
1 86 . 3 1 1 A 7 7 LEU N N 7 125.296 119.254 6.042 1
1 87 . 3 1 1 A 8 8 ASN H H 8 8.021 8.746 -0.725 1
1 88 . 3 1 1 A 8 8 ASN HA H 8 4.570 5.120 -0.550 1
1 91 . 3 1 1 A 8 8 ASN C C 8 175.203 174.934 0.269 1
1 92 . 3 1 1 A 8 8 ASN CA C 8 52.320 52.230 0.090 1
1 93 . 3 1 1 A 8 8 ASN CB C 8 39.229 39.370 -0.141 1
1 94 . 3 1 1 A 8 8 ASN N N 8 117.805 119.152 -1.347 1
1 95 . 3 1 1 A 9 9 LEU H H 9 8.385 8.131 0.254 1
1 96 . 3 1 1 A 9 9 LEU HA H 9 3.718 4.020 -0.302 1
1 106 . 3 1 1 A 9 9 LEU C C 9 177.150 178.557 -1.407 1
1 107 . 3 1 1 A 9 9 LEU CA C 9 58.501 57.671 0.830 1
1 108 . 3 1 1 A 9 9 LEU CB C 9 42.085 41.625 0.460 1
1 111 . 3 1 1 A 9 9 LEU N N 9 122.110 121.172 0.938 1
1 112 . 3 1 1 A 10 10 LYS H H 10 8.027 8.198 -0.171 1
1 113 . 3 1 1 A 10 10 LYS HA H 10 3.824 3.862 -0.038 1
1 118 . 3 1 1 A 10 10 LYS C C 10 178.555 179.173 -0.618 1
1 119 . 3 1 1 A 10 10 LYS CA C 10 59.893 60.363 -0.470 1
1 120 . 3 1 1 A 10 10 LYS CB C 10 32.143 32.217 -0.074 1
1 123 . 3 1 1 A 10 10 LYS N N 10 118.739 119.055 -0.316 1
1 124 . 3 1 1 A 11 11 GLN H H 11 7.574 8.035 -0.461 1
1 125 . 3 1 1 A 11 11 GLN HA H 11 3.984 4.236 -0.252 1
1 130 . 3 1 1 A 11 11 GLN C C 11 175.218 178.160 -2.942 1
1 131 . 3 1 1 A 11 11 GLN CA C 11 59.252 58.213 1.039 1
1 132 . 3 1 1 A 11 11 GLN CB C 11 29.579 29.191 0.388 1
1 134 . 3 1 1 A 11 11 GLN N N 11 117.396 118.615 -1.219 1
1 135 . 3 1 1 A 12 12 ALA H H 12 8.432 7.832 0.600 1
1 136 . 3 1 1 A 12 12 ALA HA H 12 4.001 4.096 -0.095 1
1 140 . 3 1 1 A 12 12 ALA C C 12 179.374 180.079 -0.705 1
1 141 . 3 1 1 A 12 12 ALA CA C 12 55.373 55.034 0.339 1
1 142 . 3 1 1 A 12 12 ALA CB C 12 18.214 18.432 -0.218 1
1 143 . 3 1 1 A 12 12 ALA N N 12 122.547 122.848 -0.301 1
1 144 . 3 1 1 A 13 13 LYS H H 13 8.276 8.363 -0.087 1
1 145 . 3 1 1 A 13 13 LYS HA H 13 3.404 4.146 -0.742 1
1 152 . 3 1 1 A 13 13 LYS C C 13 178.467 179.206 -0.739 1
1 153 . 3 1 1 A 13 13 LYS CA C 13 60.801 59.119 1.682 1
1 154 . 3 1 1 A 13 13 LYS CB C 13 33.111 32.275 0.836 1
1 157 . 3 1 1 A 13 13 LYS N N 13 116.459 117.285 -0.826 1
1 158 . 3 1 1 A 14 14 GLU H H 14 7.840 7.994 -0.154 1
1 159 . 3 1 1 A 14 14 GLU HA H 14 3.755 4.027 -0.272 1
1 164 . 3 1 1 A 14 14 GLU C C 14 177.720 179.161 -1.441 1
1 165 . 3 1 1 A 14 14 GLU CA C 14 59.737 59.530 0.207 1
1 166 . 3 1 1 A 14 14 GLU CB C 14 29.453 29.172 0.281 1
1 168 . 3 1 1 A 14 14 GLU N N 14 116.581 119.835 -3.254 1
1 169 . 3 1 1 A 15 15 GLU H H 15 8.269 8.580 -0.311 1
1 170 . 3 1 1 A 15 15 GLU HA H 15 3.961 4.062 -0.101 1
1 175 . 3 1 1 A 15 15 GLU C C 15 178.438 178.746 -0.308 1
1 176 . 3 1 1 A 15 15 GLU CA C 15 58.383 59.318 -0.935 1
1 177 . 3 1 1 A 15 15 GLU CB C 15 28.994 29.218 -0.224 1
1 179 . 3 1 1 A 15 15 GLU N N 15 115.657 120.287 -4.630 1
1 180 . 3 1 1 A 16 16 ALA H H 16 8.500 7.658 0.842 1
1 181 . 3 1 1 A 16 16 ALA HA H 16 3.939 4.110 -0.171 1
1 185 . 3 1 1 A 16 16 ALA C C 16 179.330 180.005 -0.675 1
1 186 . 3 1 1 A 16 16 ALA CA C 16 55.401 55.079 0.322 1
1 187 . 3 1 1 A 16 16 ALA CB C 16 18.980 18.457 0.523 1
1 188 . 3 1 1 A 16 16 ALA N N 16 122.087 121.951 0.136 1
1 189 . 3 1 1 A 17 17 ILE H H 17 8.598 8.575 0.023 1
1 190 . 3 1 1 A 17 17 ILE HA H 17 3.334 3.644 -0.310 1
1 195 . 3 1 1 A 17 17 ILE C C 17 177.120 178.077 -0.957 1
1 196 . 3 1 1 A 17 17 ILE CA C 17 66.876 65.374 1.502 1
1 197 . 3 1 1 A 17 17 ILE CB C 17 37.817 37.781 0.036 1
1 200 . 3 1 1 A 17 17 ILE N N 17 117.395 118.947 -1.552 1
1 201 . 3 1 1 A 18 18 LYS H H 18 7.633 7.703 -0.070 1
1 202 . 3 1 1 A 18 18 LYS HA H 18 3.748 3.978 -0.230 1
1 209 . 3 1 1 A 18 18 LYS C C 18 179.199 179.768 -0.569 1
1 210 . 3 1 1 A 18 18 LYS CA C 18 60.001 59.944 0.057 1
1 211 . 3 1 1 A 18 18 LYS CB C 18 32.538 32.071 0.467 1
1 213 . 3 1 1 A 18 18 LYS N N 18 119.143 118.672 0.471 1
1 214 . 3 1 1 A 19 19 GLU H H 19 8.192 7.882 0.310 1
1 215 . 3 1 1 A 19 19 GLU HA H 19 3.942 4.074 -0.132 1
1 220 . 3 1 1 A 19 19 GLU C C 19 179.813 178.933 0.880 1
1 221 . 3 1 1 A 19 19 GLU CA C 19 59.577 59.067 0.510 1
1 222 . 3 1 1 A 19 19 GLU CB C 19 29.756 29.554 0.202 1
1 224 . 3 1 1 A 19 19 GLU N N 19 118.201 119.794 -1.593 1
1 225 . 3 1 1 A 20 20 LEU H H 20 8.128 8.020 0.108 1
1 226 . 3 1 1 A 20 20 LEU HA H 20 3.877 4.165 -0.288 1
1 233 . 3 1 1 A 20 20 LEU C C 20 178.906 178.914 -0.008 1
1 234 . 3 1 1 A 20 20 LEU CA C 20 58.171 57.940 0.231 1
1 235 . 3 1 1 A 20 20 LEU CB C 20 41.496 41.739 -0.243 1
1 238 . 3 1 1 A 20 20 LEU N N 20 119.841 121.613 -1.772 1
1 239 . 3 1 1 A 21 21 VAL H H 21 9.063 8.542 0.521 1
1 240 . 3 1 1 A 21 21 VAL HA H 21 3.608 3.563 0.045 1
1 245 . 3 1 1 A 21 21 VAL C C 21 176.301 177.979 -1.678 1
1 246 . 3 1 1 A 21 21 VAL CA C 21 66.684 67.114 -0.430 1
1 247 . 3 1 1 A 21 21 VAL CB C 21 31.879 31.386 0.493 1
1 249 . 3 1 1 A 21 21 VAL N N 21 122.114 119.541 2.573 1
1 250 . 3 1 1 A 22 22 ASP H H 22 8.427 7.866 0.561 1
1 251 . 3 1 1 A 22 22 ASP HA H 22 4.276 4.525 -0.249 1
1 254 . 3 1 1 A 22 22 ASP C C 22 177.428 178.345 -0.917 1
1 255 . 3 1 1 A 22 22 ASP CA C 22 57.143 56.862 0.281 1
1 256 . 3 1 1 A 22 22 ASP CB C 22 40.015 41.057 -1.042 1
1 257 . 3 1 1 A 22 22 ASP N N 22 122.544 121.637 0.907 1
1 258 . 3 1 1 A 23 23 ALA H H 23 7.451 7.862 -0.411 1
1 259 . 3 1 1 A 23 23 ALA HA H 23 4.284 4.326 -0.042 1
1 263 . 3 1 1 A 23 23 ALA C C 23 177.647 177.870 -0.223 1
1 264 . 3 1 1 A 23 23 ALA CA C 23 52.140 52.260 -0.120 1
1 265 . 3 1 1 A 23 23 ALA CB C 23 19.094 19.721 -0.627 1
1 266 . 3 1 1 A 23 23 ALA N N 23 119.690 119.156 0.534 1
1 267 . 3 1 1 A 24 24 GLY H H 24 8.007 8.359 -0.352 1
1 268 . 3 1 1 A 24 24 GLY HA2 H 24 3.930 3.909 0.021 1
1 269 . 3 1 1 A 24 24 GLY HA3 H 24 3.786 3.923 -0.137 1
1 270 . 3 1 1 A 24 24 GLY C C 24 174.852 173.862 0.990 1
1 271 . 3 1 1 A 24 24 GLY CA C 24 45.939 46.995 -1.056 1
1 272 . 3 1 1 A 24 24 GLY N N 24 107.876 107.298 0.578 1
1 273 . 3 1 1 A 25 25 ILE H H 25 7.628 7.833 -0.205 1
1 274 . 3 1 1 A 25 25 ILE HA H 25 3.880 4.762 -0.882 1
1 281 . 3 1 1 A 25 25 ILE C C 25 174.954 174.782 0.172 1
1 282 . 3 1 1 A 25 25 ILE CA C 25 58.787 59.389 -0.602 1
1 283 . 3 1 1 A 25 25 ILE CB C 25 36.014 41.550 -5.536 1
1 286 . 3 1 1 A 25 25 ILE N N 25 121.226 119.875 1.351 1
1 287 . 3 1 1 A 26 26 ALA H H 26 8.454 8.738 -0.284 1
1 288 . 3 1 1 A 26 26 ALA HA H 26 4.164 4.294 -0.130 1
1 292 . 3 1 1 A 26 26 ALA C C 26 178.921 178.372 0.549 1
1 293 . 3 1 1 A 26 26 ALA CA C 26 52.978 52.552 0.426 1
1 294 . 3 1 1 A 26 26 ALA CB C 26 19.648 19.274 0.374 1
1 295 . 3 1 1 A 26 26 ALA N N 26 127.062 126.210 0.852 1
1 296 . 3 1 1 A 27 27 GLU H H 27 8.652 8.690 -0.038 1
1 297 . 3 1 1 A 27 27 GLU HA H 27 3.728 4.130 -0.402 1
1 302 . 3 1 1 A 27 27 GLU C C 27 179.886 178.912 0.974 1
1 303 . 3 1 1 A 27 27 GLU CA C 27 59.830 59.327 0.503 1
1 304 . 3 1 1 A 27 27 GLU CB C 27 29.682 29.306 0.376 1
1 306 . 3 1 1 A 27 27 GLU N N 27 122.104 124.832 -2.728 1
1 307 . 3 1 1 A 28 28 LYS H H 28 8.315 8.136 0.179 1
1 308 . 3 1 1 A 28 28 LYS HA H 28 3.789 4.019 -0.230 1
1 315 . 3 1 1 A 28 28 LYS C C 28 177.179 178.577 -1.398 1
1 316 . 3 1 1 A 28 28 LYS CA C 28 58.673 59.374 -0.701 1
1 317 . 3 1 1 A 28 28 LYS CB C 28 31.279 32.185 -0.906 1
1 320 . 3 1 1 A 28 28 LYS N N 28 119.368 121.464 -2.096 1
1 321 . 3 1 1 A 29 29 TYR H H 29 7.372 8.106 -0.734 1
1 322 . 3 1 1 A 29 29 TYR HA H 29 4.448 4.260 0.188 1
1 329 . 3 1 1 A 29 29 TYR C C 29 177.413 178.490 -1.077 1
1 330 . 3 1 1 A 29 29 TYR CA C 29 59.246 60.946 -1.700 1
1 331 . 3 1 1 A 29 29 TYR CB C 29 38.528 37.573 0.955 1
1 336 . 3 1 1 A 29 29 TYR N N 29 116.907 119.014 -2.107 1
1 337 . 3 1 1 A 30 30 ILE H H 30 7.448 8.561 -1.113 1
1 338 . 3 1 1 A 30 30 ILE HA H 30 3.359 3.870 -0.511 1
1 345 . 3 1 1 A 30 30 ILE C C 30 177.662 177.713 -0.051 1
1 346 . 3 1 1 A 30 30 ILE CA C 30 65.541 63.649 1.892 1
1 347 . 3 1 1 A 30 30 ILE CB C 30 37.362 37.658 -0.296 1
1 350 . 3 1 1 A 30 30 ILE N N 30 120.953 120.905 0.048 1
1 351 . 3 1 1 A 31 31 LYS H H 31 7.835 8.182 -0.347 1
1 352 . 3 1 1 A 31 31 LYS HA H 31 3.831 4.042 -0.211 1
1 357 . 3 1 1 A 31 31 LYS C C 31 178.218 179.113 -0.895 1
1 358 . 3 1 1 A 31 31 LYS CA C 31 58.702 59.070 -0.368 1
1 359 . 3 1 1 A 31 31 LYS CB C 31 32.198 31.932 0.266 1
1 363 . 3 1 1 A 31 31 LYS N N 31 116.536 122.164 -5.628 1
1 364 . 3 1 1 A 32 32 LEU H H 32 7.335 7.804 -0.469 1
1 365 . 3 1 1 A 32 32 LEU HA H 32 3.905 3.910 -0.005 1
1 372 . 3 1 1 A 32 32 LEU C C 32 179.901 179.491 0.410 1
1 373 . 3 1 1 A 32 32 LEU CA C 32 57.366 57.899 -0.533 1
1 374 . 3 1 1 A 32 32 LEU CB C 32 41.550 41.410 0.140 1
1 377 . 3 1 1 A 32 32 LEU N N 32 117.191 118.669 -1.478 1
1 378 . 3 1 1 A 33 33 ILE H H 33 7.409 7.442 -0.033 1
1 379 . 3 1 1 A 33 33 ILE HA H 33 3.522 3.972 -0.450 1
1 389 . 3 1 1 A 33 33 ILE C C 33 177.354 178.255 -0.901 1
1 390 . 3 1 1 A 33 33 ILE CA C 33 62.128 63.526 -1.398 1
1 391 . 3 1 1 A 33 33 ILE CB C 33 35.578 37.909 -2.331 1
1 395 . 3 1 1 A 33 33 ILE N N 33 117.873 113.833 4.040 1
1 396 . 3 1 1 A 34 34 ALA H H 34 7.615 8.824 -1.209 1
1 397 . 3 1 1 A 34 34 ALA HA H 34 3.774 4.055 -0.281 1
1 401 . 3 1 1 A 34 34 ALA C C 34 178.789 179.848 -1.059 1
1 402 . 3 1 1 A 34 34 ALA CA C 34 54.717 54.838 -0.121 1
1 403 . 3 1 1 A 34 34 ALA CB C 34 18.384 18.456 -0.072 1
1 404 . 3 1 1 A 34 34 ALA N N 34 119.178 124.200 -5.022 1
1 405 . 3 1 1 A 35 35 ASN H H 35 7.354 7.977 -0.623 1
1 406 . 3 1 1 A 35 35 ASN HA H 35 4.572 4.665 -0.093 1
1 409 . 3 1 1 A 35 35 ASN C C 35 175.482 175.060 0.422 1
1 410 . 3 1 1 A 35 35 ASN CA C 35 52.835 53.646 -0.811 1
1 411 . 3 1 1 A 35 35 ASN CB C 35 39.178 39.127 0.051 1
1 412 . 3 1 1 A 35 35 ASN N N 35 113.033 116.870 -3.837 1
1 413 . 3 1 1 A 36 36 ALA H H 36 7.439 8.000 -0.561 1
1 414 . 3 1 1 A 36 36 ALA HA H 36 4.078 3.925 0.153 1
1 418 . 3 1 1 A 36 36 ALA C C 36 177.852 177.051 0.801 1
1 419 . 3 1 1 A 36 36 ALA CA C 36 53.179 54.172 -0.993 1
1 420 . 3 1 1 A 36 36 ALA CB C 36 19.460 17.959 1.501 1
1 421 . 3 1 1 A 36 36 ALA N N 36 123.843 120.789 3.054 1
1 422 . 3 1 1 A 37 37 LYS H H 37 8.739 8.725 0.014 1
1 423 . 3 1 1 A 37 37 LYS HA H 37 4.238 4.310 -0.072 1
1 428 . 3 1 1 A 37 37 LYS C C 37 176.652 175.374 1.278 1
1 429 . 3 1 1 A 37 37 LYS CA C 37 56.659 57.736 -1.077 1
1 430 . 3 1 1 A 37 37 LYS CB C 37 34.979 32.128 2.851 1
1 434 . 3 1 1 A 37 37 LYS N N 37 117.112 118.878 -1.766 1
1 435 . 3 1 1 A 38 38 THR H H 38 7.340 7.775 -0.435 1
1 436 . 3 1 1 A 38 38 THR HA H 38 4.515 4.628 -0.113 1
1 440 . 3 1 1 A 38 38 THR C C 38 173.974 174.659 -0.685 1
1 441 . 3 1 1 A 38 38 THR CA C 38 58.511 60.828 -2.317 1
1 442 . 3 1 1 A 38 38 THR CB C 38 72.797 69.077 3.720 1
1 444 . 3 1 1 A 38 38 THR N N 38 106.407 114.252 -7.845 1
1 445 . 3 1 1 A 39 39 VAL H H 39 8.886 8.085 0.801 1
1 446 . 3 1 1 A 39 39 VAL HA H 39 2.956 3.724 -0.768 1
1 451 . 3 1 1 A 39 39 VAL C C 39 176.754 176.631 0.123 1
1 452 . 3 1 1 A 39 39 VAL CA C 39 67.409 65.330 2.079 1
1 453 . 3 1 1 A 39 39 VAL CB C 39 30.821 31.784 -0.963 1
1 455 . 3 1 1 A 39 39 VAL N N 39 122.964 125.636 -2.672 1
1 456 . 3 1 1 A 40 40 GLU H H 40 8.839 8.275 0.564 1
1 457 . 3 1 1 A 40 40 GLU HA H 40 3.865 1.560 2.305 1
1 462 . 3 1 1 A 40 40 GLU C C 40 179.345 179.151 0.194 1
1 463 . 3 1 1 A 40 40 GLU CA C 40 60.003 58.339 1.664 1
1 464 . 3 1 1 A 40 40 GLU CB C 40 28.676 28.599 0.077 1
1 466 . 3 1 1 A 40 40 GLU N N 40 117.880 120.054 -2.174 1
1 467 . 3 1 1 A 41 41 GLY H H 41 8.095 7.846 0.249 1
1 468 . 3 1 1 A 41 41 GLY HA2 H 41 3.931 3.415 0.516 1
1 469 . 3 1 1 A 41 41 GLY HA3 H 41 3.730 3.469 0.261 1
1 470 . 3 1 1 A 41 41 GLY C C 41 176.271 175.342 0.929 1
1 471 . 3 1 1 A 41 41 GLY CA C 41 46.388 47.243 -0.855 1
1 472 . 3 1 1 A 41 41 GLY N N 41 108.686 108.744 -0.058 1
1 473 . 3 1 1 A 42 42 VAL H H 42 7.772 8.796 -1.024 1
1 474 . 3 1 1 A 42 42 VAL HA H 42 3.087 3.684 -0.597 1
1 479 . 3 1 1 A 42 42 VAL C C 42 177.003 178.344 -1.341 1
1 480 . 3 1 1 A 42 42 VAL CA C 42 67.068 65.897 1.171 1
1 481 . 3 1 1 A 42 42 VAL CB C 42 30.987 31.504 -0.517 1
1 483 . 3 1 1 A 42 42 VAL N N 42 123.069 121.660 1.409 1
1 484 . 3 1 1 A 43 43 TRP H H 43 7.518 7.619 -0.101 1
1 485 . 3 1 1 A 43 43 TRP HA H 43 4.469 4.554 -0.085 1
1 493 . 3 1 1 A 43 43 TRP C C 43 179.023 179.213 -0.190 1
1 494 . 3 1 1 A 43 43 TRP CA C 43 59.134 58.917 0.217 1
1 495 . 3 1 1 A 43 43 TRP CB C 43 29.437 28.191 1.246 1
1 500 . 3 1 1 A 43 43 TRP N N 43 118.322 119.898 -1.576 1
1 502 . 3 1 1 A 44 44 THR H H 44 8.408 7.909 0.499 1
1 503 . 3 1 1 A 44 44 THR HA H 44 3.971 4.295 -0.324 1
1 508 . 3 1 1 A 44 44 THR C C 44 177.047 176.459 0.588 1
1 509 . 3 1 1 A 44 44 THR CA C 44 66.396 67.088 -0.692 1
1 510 . 3 1 1 A 44 44 THR CB C 44 69.069 68.506 0.563 1
1 512 . 3 1 1 A 44 44 THR N N 44 114.912 116.563 -1.651 1
1 513 . 3 1 1 A 45 45 LEU H H 45 7.862 9.698 -1.836 1
1 514 . 3 1 1 A 45 45 LEU HA H 45 3.584 4.031 -0.447 1
1 521 . 3 1 1 A 45 45 LEU C C 45 178.189 179.728 -1.539 1
1 522 . 3 1 1 A 45 45 LEU CA C 45 57.671 57.701 -0.030 1
1 523 . 3 1 1 A 45 45 LEU CB C 45 42.389 40.926 1.463 1
1 525 . 3 1 1 A 45 45 LEU N N 45 123.153 120.827 2.326 1
1 526 . 3 1 1 A 46 46 LYS H H 46 8.569 7.689 0.880 1
1 527 . 3 1 1 A 46 46 LYS HA H 46 3.587 4.126 -0.539 1
1 532 . 3 1 1 A 46 46 LYS C C 46 177.354 178.749 -1.395 1
1 533 . 3 1 1 A 46 46 LYS CA C 46 60.799 59.744 1.055 1
1 534 . 3 1 1 A 46 46 LYS CB C 46 30.790 32.087 -1.297 1
1 536 . 3 1 1 A 46 46 LYS N N 46 119.398 121.098 -1.700 1
1 537 . 3 1 1 A 47 47 ASP H H 47 7.694 8.263 -0.569 1
1 538 . 3 1 1 A 47 47 ASP HA H 47 4.325 4.429 -0.104 1
1 541 . 3 1 1 A 47 47 ASP C C 47 179.023 178.689 0.334 1
1 542 . 3 1 1 A 47 47 ASP CA C 47 57.107 56.862 0.245 1
1 543 . 3 1 1 A 47 47 ASP CB C 47 40.292 40.383 -0.091 1
1 544 . 3 1 1 A 47 47 ASP N N 47 116.887 120.044 -3.157 1
1 545 . 3 1 1 A 48 48 GLU H H 48 7.931 8.172 -0.241 1
1 546 . 3 1 1 A 48 48 GLU HA H 48 3.773 4.116 -0.343 1
1 551 . 3 1 1 A 48 48 GLU C C 48 179.125 178.327 0.798 1
1 552 . 3 1 1 A 48 48 GLU CA C 48 59.422 58.676 0.746 1
1 553 . 3 1 1 A 48 48 GLU CB C 48 29.598 29.410 0.188 1
1 555 . 3 1 1 A 48 48 GLU N N 48 121.719 119.084 2.635 1
1 556 . 3 1 1 A 49 49 ILE H H 49 8.553 8.679 -0.126 1
1 557 . 3 1 1 A 49 49 ILE HA H 49 3.424 3.207 0.217 1
1 565 . 3 1 1 A 49 49 ILE C C 49 178.262 177.121 1.141 1
1 566 . 3 1 1 A 49 49 ILE CA C 49 64.372 62.532 1.840 1
1 567 . 3 1 1 A 49 49 ILE CB C 49 38.278 37.134 1.144 1
1 571 . 3 1 1 A 49 49 ILE N N 49 120.672 120.220 0.452 1
1 572 . 3 1 1 A 50 50 LEU H H 50 7.831 7.482 0.349 1
1 573 . 3 1 1 A 50 50 LEU HA H 50 3.795 4.194 -0.399 1
1 580 . 3 1 1 A 50 50 LEU C C 50 178.247 178.916 -0.669 1
1 581 . 3 1 1 A 50 50 LEU CA C 50 57.039 57.528 -0.489 1
1 582 . 3 1 1 A 50 50 LEU CB C 50 41.815 42.083 -0.268 1
1 585 . 3 1 1 A 50 50 LEU N N 50 117.810 122.177 -4.367 1
1 586 . 3 1 1 A 51 51 THR H H 51 7.560 8.122 -0.562 1
1 587 . 3 1 1 A 51 51 THR HA H 51 4.066 3.991 0.075 1
1 592 . 3 1 1 A 51 51 THR C C 51 175.276 175.483 -0.207 1
1 593 . 3 1 1 A 51 51 THR CA C 51 63.281 66.190 -2.909 1
1 594 . 3 1 1 A 51 51 THR CB C 51 69.695 68.498 1.197 1
1 596 . 3 1 1 A 51 51 THR N N 51 110.196 115.552 -5.356 1
1 597 . 3 1 1 A 52 52 PHE H H 52 7.744 7.775 -0.031 1
1 598 . 3 1 1 A 52 52 PHE HA H 52 4.484 4.538 -0.054 1
1 605 . 3 1 1 A 52 52 PHE C C 52 176.549 175.096 1.453 1
1 606 . 3 1 1 A 52 52 PHE CA C 52 57.742 57.680 0.062 1
1 607 . 3 1 1 A 52 52 PHE CB C 52 37.819 39.290 -1.471 1
1 612 . 3 1 1 A 52 52 PHE N N 52 120.944 117.683 3.261 1
1 613 . 3 1 1 A 53 53 THR H H 53 8.028 7.585 0.443 1
1 614 . 3 1 1 A 53 53 THR HA H 53 4.085 4.420 -0.335 1
1 619 . 3 1 1 A 53 53 THR C C 53 174.471 174.028 0.443 1
1 620 . 3 1 1 A 53 53 THR CA C 53 62.330 60.886 1.444 1
1 621 . 3 1 1 A 53 53 THR CB C 53 69.725 69.385 0.340 1
1 623 . 3 1 1 A 53 53 THR N N 53 113.551 113.862 -0.311 1
1 624 . 3 1 1 A 54 54 VAL H H 54 7.827 8.023 -0.196 1
1 625 . 3 1 1 A 54 54 VAL HA H 54 4.047 4.321 -0.274 1
1 630 . 3 1 1 A 54 54 VAL C C 54 176.067 175.556 0.511 1
1 631 . 3 1 1 A 54 54 VAL CA C 54 62.299 63.324 -1.025 1
1 632 . 3 1 1 A 54 54 VAL CB C 54 32.633 33.774 -1.141 1
1 634 . 3 1 1 A 54 54 VAL N N 54 122.128 122.429 -0.301 1
1 635 . 3 1 1 A 55 55 THR H H 55 8.233 7.545 0.688 1
1 636 . 3 1 1 A 55 55 THR HA H 55 4.212 4.728 -0.516 1
1 640 . 3 1 1 A 55 55 THR C C 55 173.647 172.782 0.865 1
1 641 . 3 1 1 A 55 55 THR CA C 55 61.620 60.740 0.880 1
1 642 . 3 1 1 A 55 55 THR CB C 55 69.862 72.187 -2.325 1
1 644 . 3 1 1 A 55 55 THR N N 55 118.471 111.052 7.419 1
1 3 . 4 1 1 A 2 2 THR H H 2 7.970 8.253 -0.283 1
1 4 . 4 1 1 A 2 2 THR HA H 2 4.183 4.605 -0.422 1
1 9 . 4 1 1 A 2 2 THR C C 2 173.875 173.260 0.615 1
1 10 . 4 1 1 A 2 2 THR CA C 2 61.768 59.757 2.011 1
1 11 . 4 1 1 A 2 2 THR CB C 2 69.631 71.892 -2.261 1
1 13 . 4 1 1 A 2 2 THR N N 2 128.423 112.722 15.701 1
1 14 . 4 1 1 A 3 3 TYR H H 3 8.247 7.909 0.338 1
1 15 . 4 1 1 A 3 3 TYR HA H 3 4.271 4.756 -0.485 1
1 22 . 4 1 1 A 3 3 TYR C C 3 175.714 176.103 -0.389 1
1 23 . 4 1 1 A 3 3 TYR CA C 3 58.145 57.708 0.437 1
1 24 . 4 1 1 A 3 3 TYR CB C 3 38.753 40.092 -1.339 1
1 27 . 4 1 1 A 3 3 TYR N N 3 123.871 120.574 3.297 1
1 28 . 4 1 1 A 4 4 LYS H H 4 8.009 7.414 0.595 1
1 29 . 4 1 1 A 4 4 LYS HA H 4 3.963 3.755 0.208 1
1 36 . 4 1 1 A 4 4 LYS C C 4 175.979 175.134 0.845 1
1 37 . 4 1 1 A 4 4 LYS CA C 4 56.821 57.060 -0.239 1
1 38 . 4 1 1 A 4 4 LYS CB C 4 32.981 30.982 1.999 1
1 40 . 4 1 1 A 4 4 LYS N N 4 122.309 120.014 2.295 1
1 41 . 4 1 1 A 5 5 LEU H H 5 7.918 7.668 0.250 1
1 42 . 4 1 1 A 5 5 LEU HA H 5 4.151 5.086 -0.935 1
1 49 . 4 1 1 A 5 5 LEU C C 5 176.945 175.299 1.646 1
1 50 . 4 1 1 A 5 5 LEU CA C 5 55.320 53.383 1.937 1
1 51 . 4 1 1 A 5 5 LEU CB C 5 42.054 45.719 -3.665 1
1 55 . 4 1 1 A 5 5 LEU N N 5 121.830 119.633 2.197 1
1 56 . 4 1 1 A 6 6 ILE H H 6 7.974 8.734 -0.760 1
1 57 . 4 1 1 A 6 6 ILE HA H 6 3.959 4.554 -0.595 1
1 67 . 4 1 1 A 6 6 ILE C C 6 176.110 174.982 1.128 1
1 68 . 4 1 1 A 6 6 ILE CA C 6 61.287 60.729 0.558 1
1 69 . 4 1 1 A 6 6 ILE CB C 6 38.228 37.210 1.018 1
1 73 . 4 1 1 A 6 6 ILE N N 6 121.898 121.043 0.855 1
1 74 . 4 1 1 A 7 7 LEU H H 7 8.071 8.615 -0.544 1
1 75 . 4 1 1 A 7 7 LEU HA H 7 4.316 5.172 -0.856 1
1 82 . 4 1 1 A 7 7 LEU C C 7 176.915 176.318 0.597 1
1 83 . 4 1 1 A 7 7 LEU CA C 7 55.177 53.308 1.869 1
1 84 . 4 1 1 A 7 7 LEU CB C 7 43.080 45.075 -1.995 1
1 86 . 4 1 1 A 7 7 LEU N N 7 125.296 128.015 -2.719 1
1 87 . 4 1 1 A 8 8 ASN H H 8 8.021 8.571 -0.550 1
1 88 . 4 1 1 A 8 8 ASN HA H 8 4.570 5.081 -0.511 1
1 91 . 4 1 1 A 8 8 ASN C C 8 175.203 174.672 0.531 1
1 92 . 4 1 1 A 8 8 ASN CA C 8 52.320 52.330 -0.010 1
1 93 . 4 1 1 A 8 8 ASN CB C 8 39.229 38.700 0.529 1
1 94 . 4 1 1 A 8 8 ASN N N 8 117.805 120.718 -2.913 1
1 95 . 4 1 1 A 9 9 LEU H H 9 8.385 8.173 0.212 1
1 96 . 4 1 1 A 9 9 LEU HA H 9 3.718 3.971 -0.253 1
1 106 . 4 1 1 A 9 9 LEU C C 9 177.150 178.482 -1.332 1
1 107 . 4 1 1 A 9 9 LEU CA C 9 58.501 58.057 0.444 1
1 108 . 4 1 1 A 9 9 LEU CB C 9 42.085 41.240 0.845 1
1 111 . 4 1 1 A 9 9 LEU N N 9 122.110 123.151 -1.041 1
1 112 . 4 1 1 A 10 10 LYS H H 10 8.027 8.139 -0.112 1
1 113 . 4 1 1 A 10 10 LYS HA H 10 3.824 3.858 -0.034 1
1 118 . 4 1 1 A 10 10 LYS C C 10 178.555 178.769 -0.214 1
1 119 . 4 1 1 A 10 10 LYS CA C 10 59.893 60.237 -0.344 1
1 120 . 4 1 1 A 10 10 LYS CB C 10 32.143 32.108 0.035 1
1 123 . 4 1 1 A 10 10 LYS N N 10 118.739 119.224 -0.485 1
1 124 . 4 1 1 A 11 11 GLN H H 11 7.574 7.839 -0.265 1
1 125 . 4 1 1 A 11 11 GLN HA H 11 3.984 4.226 -0.242 1
1 130 . 4 1 1 A 11 11 GLN C C 11 175.218 178.067 -2.849 1
1 131 . 4 1 1 A 11 11 GLN CA C 11 59.252 58.659 0.593 1
1 132 . 4 1 1 A 11 11 GLN CB C 11 29.579 28.854 0.725 1
1 134 . 4 1 1 A 11 11 GLN N N 11 117.396 119.260 -1.864 1
1 135 . 4 1 1 A 12 12 ALA H H 12 8.432 8.161 0.271 1
1 136 . 4 1 1 A 12 12 ALA HA H 12 4.001 4.363 -0.362 1
1 140 . 4 1 1 A 12 12 ALA C C 12 179.374 180.146 -0.772 1
1 141 . 4 1 1 A 12 12 ALA CA C 12 55.373 55.154 0.219 1
1 142 . 4 1 1 A 12 12 ALA CB C 12 18.214 18.535 -0.321 1
1 143 . 4 1 1 A 12 12 ALA N N 12 122.547 122.481 0.066 1
1 144 . 4 1 1 A 13 13 LYS H H 13 8.276 8.341 -0.065 1
1 145 . 4 1 1 A 13 13 LYS HA H 13 3.404 4.151 -0.747 1
1 152 . 4 1 1 A 13 13 LYS C C 13 178.467 179.215 -0.748 1
1 153 . 4 1 1 A 13 13 LYS CA C 13 60.801 59.080 1.721 1
1 154 . 4 1 1 A 13 13 LYS CB C 13 33.111 32.314 0.797 1
1 157 . 4 1 1 A 13 13 LYS N N 13 116.459 117.302 -0.843 1
1 158 . 4 1 1 A 14 14 GLU H H 14 7.840 8.085 -0.245 1
1 159 . 4 1 1 A 14 14 GLU HA H 14 3.755 4.040 -0.285 1
1 164 . 4 1 1 A 14 14 GLU C C 14 177.720 179.245 -1.525 1
1 165 . 4 1 1 A 14 14 GLU CA C 14 59.737 59.536 0.201 1
1 166 . 4 1 1 A 14 14 GLU CB C 14 29.453 29.238 0.215 1
1 168 . 4 1 1 A 14 14 GLU N N 14 116.581 119.775 -3.194 1
1 169 . 4 1 1 A 15 15 GLU H H 15 8.269 8.746 -0.477 1
1 170 . 4 1 1 A 15 15 GLU HA H 15 3.961 4.075 -0.114 1
1 175 . 4 1 1 A 15 15 GLU C C 15 178.438 178.667 -0.229 1
1 176 . 4 1 1 A 15 15 GLU CA C 15 58.383 59.294 -0.911 1
1 177 . 4 1 1 A 15 15 GLU CB C 15 28.994 29.231 -0.237 1
1 179 . 4 1 1 A 15 15 GLU N N 15 115.657 120.301 -4.644 1
1 180 . 4 1 1 A 16 16 ALA H H 16 8.500 7.594 0.906 1
1 181 . 4 1 1 A 16 16 ALA HA H 16 3.939 4.049 -0.110 1
1 185 . 4 1 1 A 16 16 ALA C C 16 179.330 180.156 -0.826 1
1 186 . 4 1 1 A 16 16 ALA CA C 16 55.401 54.956 0.445 1
1 187 . 4 1 1 A 16 16 ALA CB C 16 18.980 18.606 0.374 1
1 188 . 4 1 1 A 16 16 ALA N N 16 122.087 121.805 0.282 1
1 189 . 4 1 1 A 17 17 ILE H H 17 8.598 8.614 -0.016 1
1 190 . 4 1 1 A 17 17 ILE HA H 17 3.334 3.870 -0.536 1
1 195 . 4 1 1 A 17 17 ILE C C 17 177.120 178.121 -1.001 1
1 196 . 4 1 1 A 17 17 ILE CA C 17 66.876 63.684 3.192 1
1 197 . 4 1 1 A 17 17 ILE CB C 17 37.817 37.257 0.560 1
1 200 . 4 1 1 A 17 17 ILE N N 17 117.395 119.581 -2.186 1
1 201 . 4 1 1 A 18 18 LYS H H 18 7.633 7.722 -0.089 1
1 202 . 4 1 1 A 18 18 LYS HA H 18 3.748 4.032 -0.284 1
1 209 . 4 1 1 A 18 18 LYS C C 18 179.199 179.158 0.041 1
1 210 . 4 1 1 A 18 18 LYS CA C 18 60.001 59.810 0.191 1
1 211 . 4 1 1 A 18 18 LYS CB C 18 32.538 32.335 0.203 1
1 213 . 4 1 1 A 18 18 LYS N N 18 119.143 122.459 -3.316 1
1 214 . 4 1 1 A 19 19 GLU H H 19 8.192 7.705 0.487 1
1 215 . 4 1 1 A 19 19 GLU HA H 19 3.942 4.042 -0.100 1
1 220 . 4 1 1 A 19 19 GLU C C 19 179.813 179.212 0.601 1
1 221 . 4 1 1 A 19 19 GLU CA C 19 59.577 59.140 0.437 1
1 222 . 4 1 1 A 19 19 GLU CB C 19 29.756 29.401 0.355 1
1 224 . 4 1 1 A 19 19 GLU N N 19 118.201 120.372 -2.171 1
1 225 . 4 1 1 A 20 20 LEU H H 20 8.128 7.908 0.220 1
1 226 . 4 1 1 A 20 20 LEU HA H 20 3.877 4.111 -0.234 1
1 233 . 4 1 1 A 20 20 LEU C C 20 178.906 178.794 0.112 1
1 234 . 4 1 1 A 20 20 LEU CA C 20 58.171 57.901 0.270 1
1 235 . 4 1 1 A 20 20 LEU CB C 20 41.496 41.768 -0.272 1
1 238 . 4 1 1 A 20 20 LEU N N 20 119.841 121.738 -1.897 1
1 239 . 4 1 1 A 21 21 VAL H H 21 9.063 7.949 1.114 1
1 240 . 4 1 1 A 21 21 VAL HA H 21 3.608 3.551 0.057 1
1 245 . 4 1 1 A 21 21 VAL C C 21 176.301 177.828 -1.527 1
1 246 . 4 1 1 A 21 21 VAL CA C 21 66.684 67.107 -0.423 1
1 247 . 4 1 1 A 21 21 VAL CB C 21 31.879 31.362 0.517 1
1 249 . 4 1 1 A 21 21 VAL N N 21 122.114 119.439 2.675 1
1 250 . 4 1 1 A 22 22 ASP H H 22 8.427 7.959 0.468 1
1 251 . 4 1 1 A 22 22 ASP HA H 22 4.276 4.487 -0.211 1
1 254 . 4 1 1 A 22 22 ASP C C 22 177.428 178.154 -0.726 1
1 255 . 4 1 1 A 22 22 ASP CA C 22 57.143 56.459 0.684 1
1 256 . 4 1 1 A 22 22 ASP CB C 22 40.015 41.142 -1.127 1
1 257 . 4 1 1 A 22 22 ASP N N 22 122.544 120.599 1.945 1
1 258 . 4 1 1 A 23 23 ALA H H 23 7.451 7.868 -0.417 1
1 259 . 4 1 1 A 23 23 ALA HA H 23 4.284 4.254 0.030 1
1 263 . 4 1 1 A 23 23 ALA C C 23 177.647 177.802 -0.155 1
1 264 . 4 1 1 A 23 23 ALA CA C 23 52.140 52.188 -0.048 1
1 265 . 4 1 1 A 23 23 ALA CB C 23 19.094 19.604 -0.510 1
1 266 . 4 1 1 A 23 23 ALA N N 23 119.690 118.744 0.946 1
1 267 . 4 1 1 A 24 24 GLY H H 24 8.007 8.468 -0.461 1
1 268 . 4 1 1 A 24 24 GLY HA2 H 24 3.930 3.897 0.033 1
1 269 . 4 1 1 A 24 24 GLY HA3 H 24 3.786 3.912 -0.126 1
1 270 . 4 1 1 A 24 24 GLY C C 24 174.852 173.654 1.198 1
1 271 . 4 1 1 A 24 24 GLY CA C 24 45.939 46.973 -1.034 1
1 272 . 4 1 1 A 24 24 GLY N N 24 107.876 107.258 0.618 1
1 273 . 4 1 1 A 25 25 ILE H H 25 7.628 7.713 -0.085 1
1 274 . 4 1 1 A 25 25 ILE HA H 25 3.880 4.742 -0.862 1
1 281 . 4 1 1 A 25 25 ILE C C 25 174.954 174.433 0.521 1
1 282 . 4 1 1 A 25 25 ILE CA C 25 58.787 59.789 -1.002 1
1 283 . 4 1 1 A 25 25 ILE CB C 25 36.014 39.569 -3.555 1
1 286 . 4 1 1 A 25 25 ILE N N 25 121.226 115.344 5.882 1
1 287 . 4 1 1 A 26 26 ALA H H 26 8.454 8.583 -0.129 1
1 288 . 4 1 1 A 26 26 ALA HA H 26 4.164 4.209 -0.045 1
1 292 . 4 1 1 A 26 26 ALA C C 26 178.921 178.894 0.027 1
1 293 . 4 1 1 A 26 26 ALA CA C 26 52.978 52.947 0.031 1
1 294 . 4 1 1 A 26 26 ALA CB C 26 19.648 19.149 0.499 1
1 295 . 4 1 1 A 26 26 ALA N N 26 127.062 125.338 1.724 1
1 296 . 4 1 1 A 27 27 GLU H H 27 8.652 8.770 -0.118 1
1 297 . 4 1 1 A 27 27 GLU HA H 27 3.728 3.955 -0.227 1
1 302 . 4 1 1 A 27 27 GLU C C 27 179.886 178.233 1.653 1
1 303 . 4 1 1 A 27 27 GLU CA C 27 59.830 59.553 0.277 1
1 304 . 4 1 1 A 27 27 GLU CB C 27 29.682 29.373 0.309 1
1 306 . 4 1 1 A 27 27 GLU N N 27 122.104 125.050 -2.946 1
1 307 . 4 1 1 A 28 28 LYS H H 28 8.315 8.107 0.208 1
1 308 . 4 1 1 A 28 28 LYS HA H 28 3.789 4.017 -0.228 1
1 315 . 4 1 1 A 28 28 LYS C C 28 177.179 178.580 -1.401 1
1 316 . 4 1 1 A 28 28 LYS CA C 28 58.673 59.417 -0.744 1
1 317 . 4 1 1 A 28 28 LYS CB C 28 31.279 32.195 -0.916 1
1 320 . 4 1 1 A 28 28 LYS N N 28 119.368 119.033 0.335 1
1 321 . 4 1 1 A 29 29 TYR H H 29 7.372 7.902 -0.530 1
1 322 . 4 1 1 A 29 29 TYR HA H 29 4.448 4.295 0.153 1
1 329 . 4 1 1 A 29 29 TYR C C 29 177.413 178.535 -1.122 1
1 330 . 4 1 1 A 29 29 TYR CA C 29 59.246 60.766 -1.520 1
1 331 . 4 1 1 A 29 29 TYR CB C 29 38.528 37.639 0.889 1
1 336 . 4 1 1 A 29 29 TYR N N 29 116.907 118.883 -1.976 1
1 337 . 4 1 1 A 30 30 ILE H H 30 7.448 8.582 -1.134 1
1 338 . 4 1 1 A 30 30 ILE HA H 30 3.359 3.887 -0.528 1
1 345 . 4 1 1 A 30 30 ILE C C 30 177.662 177.757 -0.095 1
1 346 . 4 1 1 A 30 30 ILE CA C 30 65.541 63.611 1.930 1
1 347 . 4 1 1 A 30 30 ILE CB C 30 37.362 37.636 -0.274 1
1 350 . 4 1 1 A 30 30 ILE N N 30 120.953 120.870 0.083 1
1 351 . 4 1 1 A 31 31 LYS H H 31 7.835 8.186 -0.351 1
1 352 . 4 1 1 A 31 31 LYS HA H 31 3.831 4.053 -0.222 1
1 357 . 4 1 1 A 31 31 LYS C C 31 178.218 179.243 -1.025 1
1 358 . 4 1 1 A 31 31 LYS CA C 31 58.702 59.157 -0.455 1
1 359 . 4 1 1 A 31 31 LYS CB C 31 32.198 31.942 0.256 1
1 363 . 4 1 1 A 31 31 LYS N N 31 116.536 122.066 -5.530 1
1 364 . 4 1 1 A 32 32 LEU H H 32 7.335 7.764 -0.429 1
1 365 . 4 1 1 A 32 32 LEU HA H 32 3.905 3.930 -0.025 1
1 372 . 4 1 1 A 32 32 LEU C C 32 179.901 179.276 0.625 1
1 373 . 4 1 1 A 32 32 LEU CA C 32 57.366 57.845 -0.479 1
1 374 . 4 1 1 A 32 32 LEU CB C 32 41.550 41.312 0.238 1
1 377 . 4 1 1 A 32 32 LEU N N 32 117.191 119.044 -1.853 1
1 378 . 4 1 1 A 33 33 ILE H H 33 7.409 7.474 -0.065 1
1 379 . 4 1 1 A 33 33 ILE HA H 33 3.522 4.032 -0.510 1
1 389 . 4 1 1 A 33 33 ILE C C 33 177.354 178.219 -0.865 1
1 390 . 4 1 1 A 33 33 ILE CA C 33 62.128 63.585 -1.457 1
1 391 . 4 1 1 A 33 33 ILE CB C 33 35.578 37.949 -2.371 1
1 395 . 4 1 1 A 33 33 ILE N N 33 117.873 114.216 3.657 1
1 396 . 4 1 1 A 34 34 ALA H H 34 7.615 8.840 -1.225 1
1 397 . 4 1 1 A 34 34 ALA HA H 34 3.774 4.070 -0.296 1
1 401 . 4 1 1 A 34 34 ALA C C 34 178.789 179.922 -1.133 1
1 402 . 4 1 1 A 34 34 ALA CA C 34 54.717 54.797 -0.080 1
1 403 . 4 1 1 A 34 34 ALA CB C 34 18.384 18.450 -0.066 1
1 404 . 4 1 1 A 34 34 ALA N N 34 119.178 123.881 -4.703 1
1 405 . 4 1 1 A 35 35 ASN H H 35 7.354 8.075 -0.721 1
1 406 . 4 1 1 A 35 35 ASN HA H 35 4.572 4.699 -0.127 1
1 409 . 4 1 1 A 35 35 ASN C C 35 175.482 175.142 0.340 1
1 410 . 4 1 1 A 35 35 ASN CA C 35 52.835 53.629 -0.794 1
1 411 . 4 1 1 A 35 35 ASN CB C 35 39.178 39.135 0.043 1
1 412 . 4 1 1 A 35 35 ASN N N 35 113.033 116.884 -3.851 1
1 413 . 4 1 1 A 36 36 ALA H H 36 7.439 7.988 -0.549 1
1 414 . 4 1 1 A 36 36 ALA HA H 36 4.078 3.970 0.108 1
1 418 . 4 1 1 A 36 36 ALA C C 36 177.852 177.080 0.772 1
1 419 . 4 1 1 A 36 36 ALA CA C 36 53.179 54.057 -0.878 1
1 420 . 4 1 1 A 36 36 ALA CB C 36 19.460 17.989 1.471 1
1 421 . 4 1 1 A 36 36 ALA N N 36 123.843 121.100 2.743 1
1 422 . 4 1 1 A 37 37 LYS H H 37 8.739 8.828 -0.089 1
1 423 . 4 1 1 A 37 37 LYS HA H 37 4.238 4.335 -0.097 1
1 428 . 4 1 1 A 37 37 LYS C C 37 176.652 175.280 1.372 1
1 429 . 4 1 1 A 37 37 LYS CA C 37 56.659 57.977 -1.318 1
1 430 . 4 1 1 A 37 37 LYS CB C 37 34.979 32.421 2.558 1
1 434 . 4 1 1 A 37 37 LYS N N 37 117.112 119.115 -2.003 1
1 435 . 4 1 1 A 38 38 THR H H 38 7.340 7.514 -0.174 1
1 436 . 4 1 1 A 38 38 THR HA H 38 4.515 4.680 -0.165 1
1 440 . 4 1 1 A 38 38 THR C C 38 173.974 174.516 -0.542 1
1 441 . 4 1 1 A 38 38 THR CA C 38 58.511 59.697 -1.186 1
1 442 . 4 1 1 A 38 38 THR CB C 38 72.797 68.929 3.868 1
1 444 . 4 1 1 A 38 38 THR N N 38 106.407 109.716 -3.309 1
1 445 . 4 1 1 A 39 39 VAL H H 39 8.886 8.234 0.652 1
1 446 . 4 1 1 A 39 39 VAL HA H 39 2.956 3.861 -0.905 1
1 451 . 4 1 1 A 39 39 VAL C C 39 176.754 177.162 -0.408 1
1 452 . 4 1 1 A 39 39 VAL CA C 39 67.409 65.275 2.134 1
1 453 . 4 1 1 A 39 39 VAL CB C 39 30.821 31.936 -1.115 1
1 455 . 4 1 1 A 39 39 VAL N N 39 122.964 123.963 -0.999 1
1 456 . 4 1 1 A 40 40 GLU H H 40 8.839 8.698 0.141 1
1 457 . 4 1 1 A 40 40 GLU HA H 40 3.865 4.135 -0.270 1
1 462 . 4 1 1 A 40 40 GLU C C 40 179.345 180.086 -0.741 1
1 463 . 4 1 1 A 40 40 GLU CA C 40 60.003 59.555 0.448 1
1 464 . 4 1 1 A 40 40 GLU CB C 40 28.676 28.985 -0.309 1
1 466 . 4 1 1 A 40 40 GLU N N 40 117.880 120.668 -2.788 1
1 467 . 4 1 1 A 41 41 GLY H H 41 8.095 8.290 -0.195 1
1 468 . 4 1 1 A 41 41 GLY HA2 H 41 3.931 3.732 0.199 1
1 469 . 4 1 1 A 41 41 GLY HA3 H 41 3.730 3.753 -0.023 1
1 470 . 4 1 1 A 41 41 GLY C C 41 176.271 175.680 0.591 1
1 471 . 4 1 1 A 41 41 GLY CA C 41 46.388 47.539 -1.151 1
1 472 . 4 1 1 A 41 41 GLY N N 41 108.686 109.051 -0.365 1
1 473 . 4 1 1 A 42 42 VAL H H 42 7.772 9.120 -1.348 1
1 474 . 4 1 1 A 42 42 VAL HA H 42 3.087 3.796 -0.709 1
1 479 . 4 1 1 A 42 42 VAL C C 42 177.003 178.038 -1.035 1
1 480 . 4 1 1 A 42 42 VAL CA C 42 67.068 65.743 1.325 1
1 481 . 4 1 1 A 42 42 VAL CB C 42 30.987 31.585 -0.598 1
1 483 . 4 1 1 A 42 42 VAL N N 42 123.069 121.980 1.089 1
1 484 . 4 1 1 A 43 43 TRP H H 43 7.518 7.725 -0.207 1
1 485 . 4 1 1 A 43 43 TRP HA H 43 4.469 4.397 0.072 1
1 493 . 4 1 1 A 43 43 TRP C C 43 179.023 178.297 0.726 1
1 494 . 4 1 1 A 43 43 TRP CA C 43 59.134 60.751 -1.617 1
1 495 . 4 1 1 A 43 43 TRP CB C 43 29.437 29.444 -0.007 1
1 500 . 4 1 1 A 43 43 TRP N N 43 118.322 121.381 -3.059 1
1 502 . 4 1 1 A 44 44 THR H H 44 8.408 8.314 0.094 1
1 503 . 4 1 1 A 44 44 THR HA H 44 3.971 4.125 -0.154 1
1 508 . 4 1 1 A 44 44 THR C C 44 177.047 176.744 0.303 1
1 509 . 4 1 1 A 44 44 THR CA C 44 66.396 67.110 -0.714 1
1 510 . 4 1 1 A 44 44 THR CB C 44 69.069 68.546 0.523 1
1 512 . 4 1 1 A 44 44 THR N N 44 114.912 115.621 -0.709 1
1 513 . 4 1 1 A 45 45 LEU H H 45 7.862 9.793 -1.931 1
1 514 . 4 1 1 A 45 45 LEU HA H 45 3.584 4.024 -0.440 1
1 521 . 4 1 1 A 45 45 LEU C C 45 178.189 179.634 -1.445 1
1 522 . 4 1 1 A 45 45 LEU CA C 45 57.671 57.812 -0.141 1
1 523 . 4 1 1 A 45 45 LEU CB C 45 42.389 40.994 1.395 1
1 525 . 4 1 1 A 45 45 LEU N N 45 123.153 121.087 2.066 1
1 526 . 4 1 1 A 46 46 LYS H H 46 8.569 7.546 1.023 1
1 527 . 4 1 1 A 46 46 LYS HA H 46 3.587 4.064 -0.477 1
1 532 . 4 1 1 A 46 46 LYS C C 46 177.354 178.721 -1.367 1
1 533 . 4 1 1 A 46 46 LYS CA C 46 60.799 59.622 1.177 1
1 534 . 4 1 1 A 46 46 LYS CB C 46 30.790 31.968 -1.178 1
1 536 . 4 1 1 A 46 46 LYS N N 46 119.398 120.973 -1.575 1
1 537 . 4 1 1 A 47 47 ASP H H 47 7.694 7.923 -0.229 1
1 538 . 4 1 1 A 47 47 ASP HA H 47 4.325 4.235 0.090 1
1 541 . 4 1 1 A 47 47 ASP C C 47 179.023 178.659 0.364 1
1 542 . 4 1 1 A 47 47 ASP CA C 47 57.107 56.579 0.528 1
1 543 . 4 1 1 A 47 47 ASP CB C 47 40.292 40.534 -0.242 1
1 544 . 4 1 1 A 47 47 ASP N N 47 116.887 119.599 -2.712 1
1 545 . 4 1 1 A 48 48 GLU H H 48 7.931 7.988 -0.057 1
1 546 . 4 1 1 A 48 48 GLU HA H 48 3.773 4.059 -0.286 1
1 551 . 4 1 1 A 48 48 GLU C C 48 179.125 178.538 0.587 1
1 552 . 4 1 1 A 48 48 GLU CA C 48 59.422 58.740 0.682 1
1 553 . 4 1 1 A 48 48 GLU CB C 48 29.598 29.553 0.045 1
1 555 . 4 1 1 A 48 48 GLU N N 48 121.719 118.718 3.001 1
1 556 . 4 1 1 A 49 49 ILE H H 49 8.553 8.715 -0.162 1
1 557 . 4 1 1 A 49 49 ILE HA H 49 3.424 3.495 -0.071 1
1 565 . 4 1 1 A 49 49 ILE C C 49 178.262 177.205 1.057 1
1 566 . 4 1 1 A 49 49 ILE CA C 49 64.372 62.930 1.442 1
1 567 . 4 1 1 A 49 49 ILE CB C 49 38.278 37.437 0.841 1
1 571 . 4 1 1 A 49 49 ILE N N 49 120.672 120.236 0.436 1
1 572 . 4 1 1 A 50 50 LEU H H 50 7.831 7.388 0.443 1
1 573 . 4 1 1 A 50 50 LEU HA H 50 3.795 4.122 -0.327 1
1 580 . 4 1 1 A 50 50 LEU C C 50 178.247 178.952 -0.705 1
1 581 . 4 1 1 A 50 50 LEU CA C 50 57.039 57.401 -0.362 1
1 582 . 4 1 1 A 50 50 LEU CB C 50 41.815 42.190 -0.375 1
1 585 . 4 1 1 A 50 50 LEU N N 50 117.810 122.256 -4.446 1
1 586 . 4 1 1 A 51 51 THR H H 51 7.560 7.968 -0.408 1
1 587 . 4 1 1 A 51 51 THR HA H 51 4.066 3.886 0.180 1
1 592 . 4 1 1 A 51 51 THR C C 51 175.276 176.050 -0.774 1
1 593 . 4 1 1 A 51 51 THR CA C 51 63.281 66.389 -3.108 1
1 594 . 4 1 1 A 51 51 THR CB C 51 69.695 68.387 1.308 1
1 596 . 4 1 1 A 51 51 THR N N 51 110.196 115.361 -5.165 1
1 597 . 4 1 1 A 52 52 PHE H H 52 7.744 7.711 0.033 1
1 598 . 4 1 1 A 52 52 PHE HA H 52 4.484 4.505 -0.021 1
1 605 . 4 1 1 A 52 52 PHE C C 52 176.549 175.663 0.886 1
1 606 . 4 1 1 A 52 52 PHE CA C 52 57.742 58.932 -1.190 1
1 607 . 4 1 1 A 52 52 PHE CB C 52 37.819 38.319 -0.500 1
1 612 . 4 1 1 A 52 52 PHE N N 52 120.944 121.016 -0.072 1
1 613 . 4 1 1 A 53 53 THR H H 53 8.028 8.116 -0.088 1
1 614 . 4 1 1 A 53 53 THR HA H 53 4.085 4.211 -0.126 1
1 619 . 4 1 1 A 53 53 THR C C 53 174.471 172.775 1.696 1
1 620 . 4 1 1 A 53 53 THR CA C 53 62.330 60.697 1.633 1
1 621 . 4 1 1 A 53 53 THR CB C 53 69.725 69.219 0.506 1
1 623 . 4 1 1 A 53 53 THR N N 53 113.551 113.901 -0.350 1
1 624 . 4 1 1 A 54 54 VAL H H 54 7.827 7.603 0.224 1
1 625 . 4 1 1 A 54 54 VAL HA H 54 4.047 4.512 -0.465 1
1 630 . 4 1 1 A 54 54 VAL C C 54 176.067 174.962 1.105 1
1 631 . 4 1 1 A 54 54 VAL CA C 54 62.299 58.971 3.328 1
1 632 . 4 1 1 A 54 54 VAL CB C 54 32.633 34.986 -2.353 1
1 634 . 4 1 1 A 54 54 VAL N N 54 122.128 118.703 3.425 1
1 635 . 4 1 1 A 55 55 THR H H 55 8.233 8.559 -0.326 1
1 636 . 4 1 1 A 55 55 THR HA H 55 4.212 4.107 0.105 1
1 640 . 4 1 1 A 55 55 THR C C 55 173.647 173.079 0.568 1
1 641 . 4 1 1 A 55 55 THR CA C 55 61.620 62.479 -0.859 1
1 642 . 4 1 1 A 55 55 THR CB C 55 69.862 67.841 2.021 1
1 644 . 4 1 1 A 55 55 THR N N 55 118.471 113.598 4.873 1
1 3 . 5 1 1 A 2 2 THR H H 2 7.970 8.245 -0.275 1
1 4 . 5 1 1 A 2 2 THR HA H 2 4.183 4.227 -0.044 1
1 9 . 5 1 1 A 2 2 THR C C 2 173.875 174.534 -0.659 1
1 10 . 5 1 1 A 2 2 THR CA C 2 61.768 64.293 -2.525 1
1 11 . 5 1 1 A 2 2 THR CB C 2 69.631 68.459 1.172 1
1 13 . 5 1 1 A 2 2 THR N N 2 128.423 115.266 13.157 1
1 14 . 5 1 1 A 3 3 TYR H H 3 8.247 8.301 -0.054 1
1 15 . 5 1 1 A 3 3 TYR HA H 3 4.271 4.173 0.098 1
1 22 . 5 1 1 A 3 3 TYR C C 3 175.714 174.952 0.762 1
1 23 . 5 1 1 A 3 3 TYR CA C 3 58.145 58.866 -0.721 1
1 24 . 5 1 1 A 3 3 TYR CB C 3 38.753 37.181 1.572 1
1 27 . 5 1 1 A 3 3 TYR N N 3 123.871 121.860 2.011 1
1 28 . 5 1 1 A 4 4 LYS H H 4 8.009 7.647 0.362 1
1 29 . 5 1 1 A 4 4 LYS HA H 4 3.963 4.704 -0.741 1
1 36 . 5 1 1 A 4 4 LYS C C 4 175.979 174.585 1.394 1
1 37 . 5 1 1 A 4 4 LYS CA C 4 56.821 55.456 1.365 1
1 38 . 5 1 1 A 4 4 LYS CB C 4 32.981 33.532 -0.551 1
1 40 . 5 1 1 A 4 4 LYS N N 4 122.309 119.560 2.749 1
1 41 . 5 1 1 A 5 5 LEU H H 5 7.918 8.793 -0.875 1
1 42 . 5 1 1 A 5 5 LEU HA H 5 4.151 5.008 -0.857 1
1 49 . 5 1 1 A 5 5 LEU C C 5 176.945 176.331 0.614 1
1 50 . 5 1 1 A 5 5 LEU CA C 5 55.320 53.661 1.659 1
1 51 . 5 1 1 A 5 5 LEU CB C 5 42.054 45.458 -3.404 1
1 55 . 5 1 1 A 5 5 LEU N N 5 121.830 126.234 -4.404 1
1 56 . 5 1 1 A 6 6 ILE H H 6 7.974 8.817 -0.843 1
1 57 . 5 1 1 A 6 6 ILE HA H 6 3.959 4.327 -0.368 1
1 67 . 5 1 1 A 6 6 ILE C C 6 176.110 175.007 1.103 1
1 68 . 5 1 1 A 6 6 ILE CA C 6 61.287 59.927 1.360 1
1 69 . 5 1 1 A 6 6 ILE CB C 6 38.228 37.250 0.978 1
1 73 . 5 1 1 A 6 6 ILE N N 6 121.898 117.882 4.016 1
1 74 . 5 1 1 A 7 7 LEU H H 7 8.071 7.388 0.683 1
1 75 . 5 1 1 A 7 7 LEU HA H 7 4.316 4.785 -0.469 1
1 82 . 5 1 1 A 7 7 LEU C C 7 176.915 174.740 2.175 1
1 83 . 5 1 1 A 7 7 LEU CA C 7 55.177 54.500 0.677 1
1 84 . 5 1 1 A 7 7 LEU CB C 7 43.080 45.577 -2.497 1
1 86 . 5 1 1 A 7 7 LEU N N 7 125.296 123.526 1.770 1
1 87 . 5 1 1 A 8 8 ASN H H 8 8.021 8.610 -0.589 1
1 88 . 5 1 1 A 8 8 ASN HA H 8 4.570 5.076 -0.506 1
1 91 . 5 1 1 A 8 8 ASN C C 8 175.203 174.685 0.518 1
1 92 . 5 1 1 A 8 8 ASN CA C 8 52.320 52.340 -0.020 1
1 93 . 5 1 1 A 8 8 ASN CB C 8 39.229 38.717 0.512 1
1 94 . 5 1 1 A 8 8 ASN N N 8 117.805 123.936 -6.131 1
1 95 . 5 1 1 A 9 9 LEU H H 9 8.385 8.156 0.229 1
1 96 . 5 1 1 A 9 9 LEU HA H 9 3.718 3.967 -0.249 1
1 106 . 5 1 1 A 9 9 LEU C C 9 177.150 178.941 -1.791 1
1 107 . 5 1 1 A 9 9 LEU CA C 9 58.501 57.696 0.805 1
1 108 . 5 1 1 A 9 9 LEU CB C 9 42.085 41.656 0.429 1
1 111 . 5 1 1 A 9 9 LEU N N 9 122.110 122.899 -0.789 1
1 112 . 5 1 1 A 10 10 LYS H H 10 8.027 8.244 -0.217 1
1 113 . 5 1 1 A 10 10 LYS HA H 10 3.824 3.904 -0.080 1
1 118 . 5 1 1 A 10 10 LYS C C 10 178.555 178.893 -0.338 1
1 119 . 5 1 1 A 10 10 LYS CA C 10 59.893 59.865 0.028 1
1 120 . 5 1 1 A 10 10 LYS CB C 10 32.143 32.236 -0.093 1
1 123 . 5 1 1 A 10 10 LYS N N 10 118.739 119.428 -0.689 1
1 124 . 5 1 1 A 11 11 GLN H H 11 7.574 7.790 -0.216 1
1 125 . 5 1 1 A 11 11 GLN HA H 11 3.984 4.173 -0.189 1
1 130 . 5 1 1 A 11 11 GLN C C 11 175.218 178.135 -2.917 1
1 131 . 5 1 1 A 11 11 GLN CA C 11 59.252 58.659 0.593 1
1 132 . 5 1 1 A 11 11 GLN CB C 11 29.579 28.617 0.962 1
1 134 . 5 1 1 A 11 11 GLN N N 11 117.396 118.015 -0.619 1
1 135 . 5 1 1 A 12 12 ALA H H 12 8.432 7.877 0.555 1
1 136 . 5 1 1 A 12 12 ALA HA H 12 4.001 4.093 -0.092 1
1 140 . 5 1 1 A 12 12 ALA C C 12 179.374 180.014 -0.640 1
1 141 . 5 1 1 A 12 12 ALA CA C 12 55.373 54.982 0.391 1
1 142 . 5 1 1 A 12 12 ALA CB C 12 18.214 18.335 -0.121 1
1 143 . 5 1 1 A 12 12 ALA N N 12 122.547 122.473 0.074 1
1 144 . 5 1 1 A 13 13 LYS H H 13 8.276 8.286 -0.010 1
1 145 . 5 1 1 A 13 13 LYS HA H 13 3.404 4.104 -0.700 1
1 152 . 5 1 1 A 13 13 LYS C C 13 178.467 179.175 -0.708 1
1 153 . 5 1 1 A 13 13 LYS CA C 13 60.801 59.089 1.712 1
1 154 . 5 1 1 A 13 13 LYS CB C 13 33.111 32.287 0.824 1
1 157 . 5 1 1 A 13 13 LYS N N 13 116.459 117.256 -0.797 1
1 158 . 5 1 1 A 14 14 GLU H H 14 7.840 7.994 -0.154 1
1 159 . 5 1 1 A 14 14 GLU HA H 14 3.755 4.008 -0.253 1
1 164 . 5 1 1 A 14 14 GLU C C 14 177.720 179.205 -1.485 1
1 165 . 5 1 1 A 14 14 GLU CA C 14 59.737 59.511 0.226 1
1 166 . 5 1 1 A 14 14 GLU CB C 14 29.453 29.161 0.292 1
1 168 . 5 1 1 A 14 14 GLU N N 14 116.581 119.774 -3.193 1
1 169 . 5 1 1 A 15 15 GLU H H 15 8.269 8.538 -0.269 1
1 170 . 5 1 1 A 15 15 GLU HA H 15 3.961 4.030 -0.069 1
1 175 . 5 1 1 A 15 15 GLU C C 15 178.438 178.655 -0.217 1
1 176 . 5 1 1 A 15 15 GLU CA C 15 58.383 59.252 -0.869 1
1 177 . 5 1 1 A 15 15 GLU CB C 15 28.994 29.149 -0.155 1
1 179 . 5 1 1 A 15 15 GLU N N 15 115.657 120.246 -4.589 1
1 180 . 5 1 1 A 16 16 ALA H H 16 8.500 7.562 0.938 1
1 181 . 5 1 1 A 16 16 ALA HA H 16 3.939 3.988 -0.049 1
1 185 . 5 1 1 A 16 16 ALA C C 16 179.330 179.924 -0.594 1
1 186 . 5 1 1 A 16 16 ALA CA C 16 55.401 55.057 0.344 1
1 187 . 5 1 1 A 16 16 ALA CB C 16 18.980 18.343 0.637 1
1 188 . 5 1 1 A 16 16 ALA N N 16 122.087 121.866 0.221 1
1 189 . 5 1 1 A 17 17 ILE H H 17 8.598 8.497 0.101 1
1 190 . 5 1 1 A 17 17 ILE HA H 17 3.334 3.661 -0.327 1
1 195 . 5 1 1 A 17 17 ILE C C 17 177.120 177.994 -0.874 1
1 196 . 5 1 1 A 17 17 ILE CA C 17 66.876 65.447 1.429 1
1 197 . 5 1 1 A 17 17 ILE CB C 17 37.817 38.179 -0.362 1
1 200 . 5 1 1 A 17 17 ILE N N 17 117.395 118.823 -1.428 1
1 201 . 5 1 1 A 18 18 LYS H H 18 7.633 7.633 0.000 1
1 202 . 5 1 1 A 18 18 LYS HA H 18 3.748 3.891 -0.143 1
1 209 . 5 1 1 A 18 18 LYS C C 18 179.199 179.803 -0.604 1
1 210 . 5 1 1 A 18 18 LYS CA C 18 60.001 59.925 0.076 1
1 211 . 5 1 1 A 18 18 LYS CB C 18 32.538 32.047 0.491 1
1 213 . 5 1 1 A 18 18 LYS N N 18 119.143 119.233 -0.090 1
1 214 . 5 1 1 A 19 19 GLU H H 19 8.192 7.917 0.275 1
1 215 . 5 1 1 A 19 19 GLU HA H 19 3.942 4.457 -0.515 1
1 220 . 5 1 1 A 19 19 GLU C C 19 179.813 179.083 0.730 1
1 221 . 5 1 1 A 19 19 GLU CA C 19 59.577 59.144 0.433 1
1 222 . 5 1 1 A 19 19 GLU CB C 19 29.756 29.479 0.277 1
1 224 . 5 1 1 A 19 19 GLU N N 19 118.201 119.821 -1.620 1
1 225 . 5 1 1 A 20 20 LEU H H 20 8.128 8.015 0.113 1
1 226 . 5 1 1 A 20 20 LEU HA H 20 3.877 4.159 -0.282 1
1 233 . 5 1 1 A 20 20 LEU C C 20 178.906 178.954 -0.048 1
1 234 . 5 1 1 A 20 20 LEU CA C 20 58.171 57.862 0.309 1
1 235 . 5 1 1 A 20 20 LEU CB C 20 41.496 41.682 -0.186 1
1 238 . 5 1 1 A 20 20 LEU N N 20 119.841 121.648 -1.807 1
1 239 . 5 1 1 A 21 21 VAL H H 21 9.063 8.588 0.475 1
1 240 . 5 1 1 A 21 21 VAL HA H 21 3.608 3.533 0.075 1
1 245 . 5 1 1 A 21 21 VAL C C 21 176.301 177.140 -0.839 1
1 246 . 5 1 1 A 21 21 VAL CA C 21 66.684 67.101 -0.417 1
1 247 . 5 1 1 A 21 21 VAL CB C 21 31.879 31.304 0.575 1
1 249 . 5 1 1 A 21 21 VAL N N 21 122.114 119.419 2.695 1
1 250 . 5 1 1 A 22 22 ASP H H 22 8.427 8.278 0.149 1
1 251 . 5 1 1 A 22 22 ASP HA H 22 4.276 4.570 -0.294 1
1 254 . 5 1 1 A 22 22 ASP C C 22 177.428 178.534 -1.106 1
1 255 . 5 1 1 A 22 22 ASP CA C 22 57.143 56.960 0.183 1
1 256 . 5 1 1 A 22 22 ASP CB C 22 40.015 40.874 -0.859 1
1 257 . 5 1 1 A 22 22 ASP N N 22 122.544 118.584 3.960 1
1 258 . 5 1 1 A 23 23 ALA H H 23 7.451 7.827 -0.376 1
1 259 . 5 1 1 A 23 23 ALA HA H 23 4.284 4.250 0.034 1
1 263 . 5 1 1 A 23 23 ALA C C 23 177.647 177.806 -0.159 1
1 264 . 5 1 1 A 23 23 ALA CA C 23 52.140 52.204 -0.064 1
1 265 . 5 1 1 A 23 23 ALA CB C 23 19.094 19.445 -0.351 1
1 266 . 5 1 1 A 23 23 ALA N N 23 119.690 118.497 1.193 1
1 267 . 5 1 1 A 24 24 GLY H H 24 8.007 8.336 -0.329 1
1 268 . 5 1 1 A 24 24 GLY HA2 H 24 3.930 3.874 0.056 1
1 269 . 5 1 1 A 24 24 GLY HA3 H 24 3.786 3.891 -0.105 1
1 270 . 5 1 1 A 24 24 GLY C C 24 174.852 173.527 1.325 1
1 271 . 5 1 1 A 24 24 GLY CA C 24 45.939 46.982 -1.043 1
1 272 . 5 1 1 A 24 24 GLY N N 24 107.876 107.255 0.621 1
1 273 . 5 1 1 A 25 25 ILE H H 25 7.628 7.716 -0.088 1
1 274 . 5 1 1 A 25 25 ILE HA H 25 3.880 4.723 -0.843 1
1 281 . 5 1 1 A 25 25 ILE C C 25 174.954 174.492 0.462 1
1 282 . 5 1 1 A 25 25 ILE CA C 25 58.787 59.569 -0.782 1
1 283 . 5 1 1 A 25 25 ILE CB C 25 36.014 39.991 -3.977 1
1 286 . 5 1 1 A 25 25 ILE N N 25 121.226 116.987 4.239 1
1 287 . 5 1 1 A 26 26 ALA H H 26 8.454 8.656 -0.202 1
1 288 . 5 1 1 A 26 26 ALA HA H 26 4.164 4.182 -0.018 1
1 292 . 5 1 1 A 26 26 ALA C C 26 178.921 178.434 0.487 1
1 293 . 5 1 1 A 26 26 ALA CA C 26 52.978 52.890 0.088 1
1 294 . 5 1 1 A 26 26 ALA CB C 26 19.648 19.316 0.332 1
1 295 . 5 1 1 A 26 26 ALA N N 26 127.062 125.103 1.959 1
1 296 . 5 1 1 A 27 27 GLU H H 27 8.652 8.681 -0.029 1
1 297 . 5 1 1 A 27 27 GLU HA H 27 3.728 4.139 -0.411 1
1 302 . 5 1 1 A 27 27 GLU C C 27 179.886 178.811 1.075 1
1 303 . 5 1 1 A 27 27 GLU CA C 27 59.830 59.353 0.477 1
1 304 . 5 1 1 A 27 27 GLU CB C 27 29.682 29.337 0.345 1
1 306 . 5 1 1 A 27 27 GLU N N 27 122.104 124.768 -2.664 1
1 307 . 5 1 1 A 28 28 LYS H H 28 8.315 8.125 0.190 1
1 308 . 5 1 1 A 28 28 LYS HA H 28 3.789 4.020 -0.231 1
1 315 . 5 1 1 A 28 28 LYS C C 28 177.179 178.576 -1.397 1
1 316 . 5 1 1 A 28 28 LYS CA C 28 58.673 59.375 -0.702 1
1 317 . 5 1 1 A 28 28 LYS CB C 28 31.279 32.194 -0.915 1
1 320 . 5 1 1 A 28 28 LYS N N 28 119.368 121.459 -2.091 1
1 321 . 5 1 1 A 29 29 TYR H H 29 7.372 8.017 -0.645 1
1 322 . 5 1 1 A 29 29 TYR HA H 29 4.448 4.299 0.149 1
1 329 . 5 1 1 A 29 29 TYR C C 29 177.413 178.518 -1.105 1
1 330 . 5 1 1 A 29 29 TYR CA C 29 59.246 60.761 -1.515 1
1 331 . 5 1 1 A 29 29 TYR CB C 29 38.528 37.542 0.986 1
1 336 . 5 1 1 A 29 29 TYR N N 29 116.907 118.872 -1.965 1
1 337 . 5 1 1 A 30 30 ILE H H 30 7.448 8.536 -1.088 1
1 338 . 5 1 1 A 30 30 ILE HA H 30 3.359 3.920 -0.561 1
1 345 . 5 1 1 A 30 30 ILE C C 30 177.662 177.648 0.014 1
1 346 . 5 1 1 A 30 30 ILE CA C 30 65.541 63.450 2.091 1
1 347 . 5 1 1 A 30 30 ILE CB C 30 37.362 37.468 -0.106 1
1 350 . 5 1 1 A 30 30 ILE N N 30 120.953 120.803 0.150 1
1 351 . 5 1 1 A 31 31 LYS H H 31 7.835 8.128 -0.293 1
1 352 . 5 1 1 A 31 31 LYS HA H 31 3.831 4.045 -0.214 1
1 357 . 5 1 1 A 31 31 LYS C C 31 178.218 179.290 -1.072 1
1 358 . 5 1 1 A 31 31 LYS CA C 31 58.702 59.053 -0.351 1
1 359 . 5 1 1 A 31 31 LYS CB C 31 32.198 32.001 0.197 1
1 363 . 5 1 1 A 31 31 LYS N N 31 116.536 122.055 -5.519 1
1 364 . 5 1 1 A 32 32 LEU H H 32 7.335 7.664 -0.329 1
1 365 . 5 1 1 A 32 32 LEU HA H 32 3.905 3.917 -0.012 1
1 372 . 5 1 1 A 32 32 LEU C C 32 179.901 179.042 0.859 1
1 373 . 5 1 1 A 32 32 LEU CA C 32 57.366 57.844 -0.478 1
1 374 . 5 1 1 A 32 32 LEU CB C 32 41.550 41.259 0.291 1
1 377 . 5 1 1 A 32 32 LEU N N 32 117.191 118.613 -1.422 1
1 378 . 5 1 1 A 33 33 ILE H H 33 7.409 7.443 -0.034 1
1 379 . 5 1 1 A 33 33 ILE HA H 33 3.522 4.020 -0.498 1
1 389 . 5 1 1 A 33 33 ILE C C 33 177.354 178.205 -0.851 1
1 390 . 5 1 1 A 33 33 ILE CA C 33 62.128 63.573 -1.445 1
1 391 . 5 1 1 A 33 33 ILE CB C 33 35.578 37.934 -2.356 1
1 395 . 5 1 1 A 33 33 ILE N N 33 117.873 115.377 2.496 1
1 396 . 5 1 1 A 34 34 ALA H H 34 7.615 8.720 -1.105 1
1 397 . 5 1 1 A 34 34 ALA HA H 34 3.774 4.055 -0.281 1
1 401 . 5 1 1 A 34 34 ALA C C 34 178.789 179.890 -1.101 1
1 402 . 5 1 1 A 34 34 ALA CA C 34 54.717 54.837 -0.120 1
1 403 . 5 1 1 A 34 34 ALA CB C 34 18.384 18.463 -0.079 1
1 404 . 5 1 1 A 34 34 ALA N N 34 119.178 123.944 -4.766 1
1 405 . 5 1 1 A 35 35 ASN H H 35 7.354 8.025 -0.671 1
1 406 . 5 1 1 A 35 35 ASN HA H 35 4.572 4.691 -0.119 1
1 409 . 5 1 1 A 35 35 ASN C C 35 175.482 175.124 0.358 1
1 410 . 5 1 1 A 35 35 ASN CA C 35 52.835 53.424 -0.589 1
1 411 . 5 1 1 A 35 35 ASN CB C 35 39.178 39.139 0.039 1
1 412 . 5 1 1 A 35 35 ASN N N 35 113.033 116.878 -3.845 1
1 413 . 5 1 1 A 36 36 ALA H H 36 7.439 8.028 -0.589 1
1 414 . 5 1 1 A 36 36 ALA HA H 36 4.078 3.970 0.108 1
1 418 . 5 1 1 A 36 36 ALA C C 36 177.852 177.075 0.777 1
1 419 . 5 1 1 A 36 36 ALA CA C 36 53.179 54.065 -0.886 1
1 420 . 5 1 1 A 36 36 ALA CB C 36 19.460 17.990 1.470 1
1 421 . 5 1 1 A 36 36 ALA N N 36 123.843 120.820 3.023 1
1 422 . 5 1 1 A 37 37 LYS H H 37 8.739 8.836 -0.097 1
1 423 . 5 1 1 A 37 37 LYS HA H 37 4.238 4.331 -0.093 1
1 428 . 5 1 1 A 37 37 LYS C C 37 176.652 175.458 1.194 1
1 429 . 5 1 1 A 37 37 LYS CA C 37 56.659 57.916 -1.257 1
1 430 . 5 1 1 A 37 37 LYS CB C 37 34.979 32.426 2.553 1
1 434 . 5 1 1 A 37 37 LYS N N 37 117.112 119.146 -2.034 1
1 435 . 5 1 1 A 38 38 THR H H 38 7.340 7.816 -0.476 1
1 436 . 5 1 1 A 38 38 THR HA H 38 4.515 4.643 -0.128 1
1 440 . 5 1 1 A 38 38 THR C C 38 173.974 174.785 -0.811 1
1 441 . 5 1 1 A 38 38 THR CA C 38 58.511 61.274 -2.763 1
1 442 . 5 1 1 A 38 38 THR CB C 38 72.797 69.171 3.626 1
1 444 . 5 1 1 A 38 38 THR N N 38 106.407 114.106 -7.699 1
1 445 . 5 1 1 A 39 39 VAL H H 39 8.886 8.250 0.636 1
1 446 . 5 1 1 A 39 39 VAL HA H 39 2.956 3.866 -0.910 1
1 451 . 5 1 1 A 39 39 VAL C C 39 176.754 177.146 -0.392 1
1 452 . 5 1 1 A 39 39 VAL CA C 39 67.409 65.326 2.083 1
1 453 . 5 1 1 A 39 39 VAL CB C 39 30.821 31.952 -1.131 1
1 455 . 5 1 1 A 39 39 VAL N N 39 122.964 126.544 -3.580 1
1 456 . 5 1 1 A 40 40 GLU H H 40 8.839 8.707 0.132 1
1 457 . 5 1 1 A 40 40 GLU HA H 40 3.865 4.098 -0.233 1
1 462 . 5 1 1 A 40 40 GLU C C 40 179.345 179.868 -0.523 1
1 463 . 5 1 1 A 40 40 GLU CA C 40 60.003 59.620 0.383 1
1 464 . 5 1 1 A 40 40 GLU CB C 40 28.676 29.027 -0.351 1
1 466 . 5 1 1 A 40 40 GLU N N 40 117.880 120.688 -2.808 1
1 467 . 5 1 1 A 41 41 GLY H H 41 8.095 8.330 -0.235 1
1 468 . 5 1 1 A 41 41 GLY HA2 H 41 3.931 3.750 0.181 1
1 469 . 5 1 1 A 41 41 GLY HA3 H 41 3.730 3.775 -0.045 1
1 470 . 5 1 1 A 41 41 GLY C C 41 176.271 175.648 0.623 1
1 471 . 5 1 1 A 41 41 GLY CA C 41 46.388 47.594 -1.206 1
1 472 . 5 1 1 A 41 41 GLY N N 41 108.686 108.918 -0.232 1
1 473 . 5 1 1 A 42 42 VAL H H 42 7.772 9.097 -1.325 1
1 474 . 5 1 1 A 42 42 VAL HA H 42 3.087 3.764 -0.677 1
1 479 . 5 1 1 A 42 42 VAL C C 42 177.003 177.976 -0.973 1
1 480 . 5 1 1 A 42 42 VAL CA C 42 67.068 65.687 1.381 1
1 481 . 5 1 1 A 42 42 VAL CB C 42 30.987 31.590 -0.603 1
1 483 . 5 1 1 A 42 42 VAL N N 42 123.069 121.969 1.100 1
1 484 . 5 1 1 A 43 43 TRP H H 43 7.518 7.573 -0.055 1
1 485 . 5 1 1 A 43 43 TRP HA H 43 4.469 4.372 0.097 1
1 493 . 5 1 1 A 43 43 TRP C C 43 179.023 178.314 0.709 1
1 494 . 5 1 1 A 43 43 TRP CA C 43 59.134 60.079 -0.945 1
1 495 . 5 1 1 A 43 43 TRP CB C 43 29.437 29.609 -0.172 1
1 500 . 5 1 1 A 43 43 TRP N N 43 118.322 121.634 -3.312 1
1 502 . 5 1 1 A 44 44 THR H H 44 8.408 8.394 0.014 1
1 503 . 5 1 1 A 44 44 THR HA H 44 3.971 4.263 -0.292 1
1 508 . 5 1 1 A 44 44 THR C C 44 177.047 176.584 0.463 1
1 509 . 5 1 1 A 44 44 THR CA C 44 66.396 67.140 -0.744 1
1 510 . 5 1 1 A 44 44 THR CB C 44 69.069 68.687 0.382 1
1 512 . 5 1 1 A 44 44 THR N N 44 114.912 115.752 -0.840 1
1 513 . 5 1 1 A 45 45 LEU H H 45 7.862 9.749 -1.887 1
1 514 . 5 1 1 A 45 45 LEU HA H 45 3.584 4.042 -0.458 1
1 521 . 5 1 1 A 45 45 LEU C C 45 178.189 179.698 -1.509 1
1 522 . 5 1 1 A 45 45 LEU CA C 45 57.671 57.803 -0.132 1
1 523 . 5 1 1 A 45 45 LEU CB C 45 42.389 41.143 1.246 1
1 525 . 5 1 1 A 45 45 LEU N N 45 123.153 120.888 2.265 1
1 526 . 5 1 1 A 46 46 LYS H H 46 8.569 7.560 1.009 1
1 527 . 5 1 1 A 46 46 LYS HA H 46 3.587 4.036 -0.449 1
1 532 . 5 1 1 A 46 46 LYS C C 46 177.354 178.726 -1.372 1
1 533 . 5 1 1 A 46 46 LYS CA C 46 60.799 59.623 1.176 1
1 534 . 5 1 1 A 46 46 LYS CB C 46 30.790 31.913 -1.123 1
1 536 . 5 1 1 A 46 46 LYS N N 46 119.398 121.015 -1.617 1
1 537 . 5 1 1 A 47 47 ASP H H 47 7.694 8.015 -0.321 1
1 538 . 5 1 1 A 47 47 ASP HA H 47 4.325 4.254 0.071 1
1 541 . 5 1 1 A 47 47 ASP C C 47 179.023 178.628 0.395 1
1 542 . 5 1 1 A 47 47 ASP CA C 47 57.107 56.621 0.486 1
1 543 . 5 1 1 A 47 47 ASP CB C 47 40.292 40.461 -0.169 1
1 544 . 5 1 1 A 47 47 ASP N N 47 116.887 119.658 -2.771 1
1 545 . 5 1 1 A 48 48 GLU H H 48 7.931 8.022 -0.091 1
1 546 . 5 1 1 A 48 48 GLU HA H 48 3.773 4.083 -0.310 1
1 551 . 5 1 1 A 48 48 GLU C C 48 179.125 178.547 0.578 1
1 552 . 5 1 1 A 48 48 GLU CA C 48 59.422 58.761 0.661 1
1 553 . 5 1 1 A 48 48 GLU CB C 48 29.598 29.567 0.031 1
1 555 . 5 1 1 A 48 48 GLU N N 48 121.719 118.780 2.939 1
1 556 . 5 1 1 A 49 49 ILE H H 49 8.553 8.774 -0.221 1
1 557 . 5 1 1 A 49 49 ILE HA H 49 3.424 3.480 -0.056 1
1 565 . 5 1 1 A 49 49 ILE C C 49 178.262 177.256 1.006 1
1 566 . 5 1 1 A 49 49 ILE CA C 49 64.372 63.038 1.334 1
1 567 . 5 1 1 A 49 49 ILE CB C 49 38.278 37.300 0.978 1
1 571 . 5 1 1 A 49 49 ILE N N 49 120.672 120.232 0.440 1
1 572 . 5 1 1 A 50 50 LEU H H 50 7.831 7.552 0.279 1
1 573 . 5 1 1 A 50 50 LEU HA H 50 3.795 4.141 -0.346 1
1 580 . 5 1 1 A 50 50 LEU C C 50 178.247 178.760 -0.513 1
1 581 . 5 1 1 A 50 50 LEU CA C 50 57.039 57.362 -0.323 1
1 582 . 5 1 1 A 50 50 LEU CB C 50 41.815 42.031 -0.216 1
1 585 . 5 1 1 A 50 50 LEU N N 50 117.810 122.162 -4.352 1
1 586 . 5 1 1 A 51 51 THR H H 51 7.560 8.138 -0.578 1
1 587 . 5 1 1 A 51 51 THR HA H 51 4.066 3.965 0.101 1
1 592 . 5 1 1 A 51 51 THR C C 51 175.276 175.617 -0.341 1
1 593 . 5 1 1 A 51 51 THR CA C 51 63.281 66.438 -3.157 1
1 594 . 5 1 1 A 51 51 THR CB C 51 69.695 68.491 1.204 1
1 596 . 5 1 1 A 51 51 THR N N 51 110.196 115.221 -5.025 1
1 597 . 5 1 1 A 52 52 PHE H H 52 7.744 7.848 -0.104 1
1 598 . 5 1 1 A 52 52 PHE HA H 52 4.484 4.486 -0.002 1
1 605 . 5 1 1 A 52 52 PHE C C 52 176.549 175.316 1.233 1
1 606 . 5 1 1 A 52 52 PHE CA C 52 57.742 57.217 0.525 1
1 607 . 5 1 1 A 52 52 PHE CB C 52 37.819 38.659 -0.840 1
1 612 . 5 1 1 A 52 52 PHE N N 52 120.944 119.021 1.923 1
1 613 . 5 1 1 A 53 53 THR H H 53 8.028 7.479 0.549 1
1 614 . 5 1 1 A 53 53 THR HA H 53 4.085 4.184 -0.099 1
1 619 . 5 1 1 A 53 53 THR C C 53 174.471 174.806 -0.335 1
1 620 . 5 1 1 A 53 53 THR CA C 53 62.330 63.154 -0.824 1
1 621 . 5 1 1 A 53 53 THR CB C 53 69.725 70.729 -1.004 1
1 623 . 5 1 1 A 53 53 THR N N 53 113.551 111.658 1.893 1
1 624 . 5 1 1 A 54 54 VAL H H 54 7.827 8.095 -0.268 1
1 625 . 5 1 1 A 54 54 VAL HA H 54 4.047 3.977 0.070 1
1 630 . 5 1 1 A 54 54 VAL C C 54 176.067 175.440 0.627 1
1 631 . 5 1 1 A 54 54 VAL CA C 54 62.299 62.571 -0.272 1
1 632 . 5 1 1 A 54 54 VAL CB C 54 32.633 31.431 1.202 1
1 634 . 5 1 1 A 54 54 VAL N N 54 122.128 121.173 0.955 1
1 635 . 5 1 1 A 55 55 THR H H 55 8.233 8.695 -0.462 1
1 636 . 5 1 1 A 55 55 THR HA H 55 4.212 4.206 0.006 1
1 640 . 5 1 1 A 55 55 THR C C 55 173.647 174.522 -0.875 1
1 641 . 5 1 1 A 55 55 THR CA C 55 61.620 64.409 -2.789 1
1 642 . 5 1 1 A 55 55 THR CB C 55 69.862 68.352 1.510 1
1 644 . 5 1 1 A 55 55 THR N N 55 118.471 119.365 -0.894 1
1 3 . 6 1 1 A 2 2 THR H H 2 7.970 8.452 -0.482 1
1 4 . 6 1 1 A 2 2 THR HA H 2 4.183 4.834 -0.651 1
1 9 . 6 1 1 A 2 2 THR C C 2 173.875 174.173 -0.298 1
1 10 . 6 1 1 A 2 2 THR CA C 2 61.768 60.321 1.447 1
1 11 . 6 1 1 A 2 2 THR CB C 2 69.631 71.800 -2.169 1
1 13 . 6 1 1 A 2 2 THR N N 2 128.423 117.052 11.371 1
1 14 . 6 1 1 A 3 3 TYR H H 3 8.247 9.208 -0.961 1
1 15 . 6 1 1 A 3 3 TYR HA H 3 4.271 4.237 0.034 1
1 22 . 6 1 1 A 3 3 TYR C C 3 175.714 175.464 0.250 1
1 23 . 6 1 1 A 3 3 TYR CA C 3 58.145 60.831 -2.686 1
1 24 . 6 1 1 A 3 3 TYR CB C 3 38.753 39.559 -0.806 1
1 27 . 6 1 1 A 3 3 TYR N N 3 123.871 124.427 -0.556 1
1 28 . 6 1 1 A 4 4 LYS H H 4 8.009 8.101 -0.092 1
1 29 . 6 1 1 A 4 4 LYS HA H 4 3.963 3.946 0.017 1
1 36 . 6 1 1 A 4 4 LYS C C 4 175.979 175.443 0.536 1
1 37 . 6 1 1 A 4 4 LYS CA C 4 56.821 57.234 -0.413 1
1 38 . 6 1 1 A 4 4 LYS CB C 4 32.981 30.804 2.177 1
1 40 . 6 1 1 A 4 4 LYS N N 4 122.309 119.785 2.524 1
1 41 . 6 1 1 A 5 5 LEU H H 5 7.918 8.147 -0.229 1
1 42 . 6 1 1 A 5 5 LEU HA H 5 4.151 4.678 -0.527 1
1 49 . 6 1 1 A 5 5 LEU C C 5 176.945 176.601 0.344 1
1 50 . 6 1 1 A 5 5 LEU CA C 5 55.320 54.054 1.266 1
1 51 . 6 1 1 A 5 5 LEU CB C 5 42.054 40.918 1.136 1
1 55 . 6 1 1 A 5 5 LEU N N 5 121.830 118.988 2.842 1
1 56 . 6 1 1 A 6 6 ILE H H 6 7.974 9.177 -1.203 1
1 57 . 6 1 1 A 6 6 ILE HA H 6 3.959 3.925 0.034 1
1 67 . 6 1 1 A 6 6 ILE C C 6 176.110 175.299 0.811 1
1 68 . 6 1 1 A 6 6 ILE CA C 6 61.287 62.321 -1.034 1
1 69 . 6 1 1 A 6 6 ILE CB C 6 38.228 36.780 1.448 1
1 73 . 6 1 1 A 6 6 ILE N N 6 121.898 122.491 -0.593 1
1 74 . 6 1 1 A 7 7 LEU H H 7 8.071 8.480 -0.409 1
1 75 . 6 1 1 A 7 7 LEU HA H 7 4.316 4.077 0.239 1
1 82 . 6 1 1 A 7 7 LEU C C 7 176.915 175.395 1.520 1
1 83 . 6 1 1 A 7 7 LEU CA C 7 55.177 55.674 -0.497 1
1 84 . 6 1 1 A 7 7 LEU CB C 7 43.080 41.029 2.051 1
1 86 . 6 1 1 A 7 7 LEU N N 7 125.296 124.230 1.066 1
1 87 . 6 1 1 A 8 8 ASN H H 8 8.021 8.496 -0.475 1
1 88 . 6 1 1 A 8 8 ASN HA H 8 4.570 4.998 -0.428 1
1 91 . 6 1 1 A 8 8 ASN C C 8 175.203 174.591 0.612 1
1 92 . 6 1 1 A 8 8 ASN CA C 8 52.320 52.534 -0.214 1
1 93 . 6 1 1 A 8 8 ASN CB C 8 39.229 38.250 0.979 1
1 94 . 6 1 1 A 8 8 ASN N N 8 117.805 123.259 -5.454 1
1 95 . 6 1 1 A 9 9 LEU H H 9 8.385 8.189 0.196 1
1 96 . 6 1 1 A 9 9 LEU HA H 9 3.718 3.963 -0.245 1
1 106 . 6 1 1 A 9 9 LEU C C 9 177.150 178.963 -1.813 1
1 107 . 6 1 1 A 9 9 LEU CA C 9 58.501 58.068 0.433 1
1 108 . 6 1 1 A 9 9 LEU CB C 9 42.085 41.291 0.794 1
1 111 . 6 1 1 A 9 9 LEU N N 9 122.110 123.955 -1.845 1
1 112 . 6 1 1 A 10 10 LYS H H 10 8.027 8.250 -0.223 1
1 113 . 6 1 1 A 10 10 LYS HA H 10 3.824 3.916 -0.092 1
1 118 . 6 1 1 A 10 10 LYS C C 10 178.555 178.603 -0.048 1
1 119 . 6 1 1 A 10 10 LYS CA C 10 59.893 59.776 0.117 1
1 120 . 6 1 1 A 10 10 LYS CB C 10 32.143 32.201 -0.058 1
1 123 . 6 1 1 A 10 10 LYS N N 10 118.739 119.395 -0.656 1
1 124 . 6 1 1 A 11 11 GLN H H 11 7.574 7.886 -0.312 1
1 125 . 6 1 1 A 11 11 GLN HA H 11 3.984 4.209 -0.225 1
1 130 . 6 1 1 A 11 11 GLN C C 11 175.218 178.330 -3.112 1
1 131 . 6 1 1 A 11 11 GLN CA C 11 59.252 58.728 0.524 1
1 132 . 6 1 1 A 11 11 GLN CB C 11 29.579 28.577 1.002 1
1 134 . 6 1 1 A 11 11 GLN N N 11 117.396 118.201 -0.805 1
1 135 . 6 1 1 A 12 12 ALA H H 12 8.432 7.910 0.522 1
1 136 . 6 1 1 A 12 12 ALA HA H 12 4.001 4.409 -0.408 1
1 140 . 6 1 1 A 12 12 ALA C C 12 179.374 180.172 -0.798 1
1 141 . 6 1 1 A 12 12 ALA CA C 12 55.373 55.224 0.149 1
1 142 . 6 1 1 A 12 12 ALA CB C 12 18.214 18.667 -0.453 1
1 143 . 6 1 1 A 12 12 ALA N N 12 122.547 122.395 0.152 1
1 144 . 6 1 1 A 13 13 LYS H H 13 8.276 8.330 -0.054 1
1 145 . 6 1 1 A 13 13 LYS HA H 13 3.404 4.157 -0.753 1
1 152 . 6 1 1 A 13 13 LYS C C 13 178.467 178.840 -0.373 1
1 153 . 6 1 1 A 13 13 LYS CA C 13 60.801 59.085 1.716 1
1 154 . 6 1 1 A 13 13 LYS CB C 13 33.111 32.316 0.795 1
1 157 . 6 1 1 A 13 13 LYS N N 13 116.459 117.322 -0.863 1
1 158 . 6 1 1 A 14 14 GLU H H 14 7.840 7.922 -0.082 1
1 159 . 6 1 1 A 14 14 GLU HA H 14 3.755 4.072 -0.317 1
1 164 . 6 1 1 A 14 14 GLU C C 14 177.720 178.570 -0.850 1
1 165 . 6 1 1 A 14 14 GLU CA C 14 59.737 59.575 0.162 1
1 166 . 6 1 1 A 14 14 GLU CB C 14 29.453 29.296 0.157 1
1 168 . 6 1 1 A 14 14 GLU N N 14 116.581 119.954 -3.373 1
1 169 . 6 1 1 A 15 15 GLU H H 15 8.269 8.207 0.062 1
1 170 . 6 1 1 A 15 15 GLU HA H 15 3.961 4.136 -0.175 1
1 175 . 6 1 1 A 15 15 GLU C C 15 178.438 178.914 -0.476 1
1 176 . 6 1 1 A 15 15 GLU CA C 15 58.383 58.999 -0.616 1
1 177 . 6 1 1 A 15 15 GLU CB C 15 28.994 29.278 -0.284 1
1 179 . 6 1 1 A 15 15 GLU N N 15 115.657 119.909 -4.252 1
1 180 . 6 1 1 A 16 16 ALA H H 16 8.500 7.989 0.511 1
1 181 . 6 1 1 A 16 16 ALA HA H 16 3.939 4.005 -0.066 1
1 185 . 6 1 1 A 16 16 ALA C C 16 179.330 180.066 -0.736 1
1 186 . 6 1 1 A 16 16 ALA CA C 16 55.401 54.898 0.503 1
1 187 . 6 1 1 A 16 16 ALA CB C 16 18.980 18.017 0.963 1
1 188 . 6 1 1 A 16 16 ALA N N 16 122.087 121.952 0.135 1
1 189 . 6 1 1 A 17 17 ILE H H 17 8.598 8.852 -0.254 1
1 190 . 6 1 1 A 17 17 ILE HA H 17 3.334 3.893 -0.559 1
1 195 . 6 1 1 A 17 17 ILE C C 17 177.120 177.917 -0.797 1
1 196 . 6 1 1 A 17 17 ILE CA C 17 66.876 63.524 3.352 1
1 197 . 6 1 1 A 17 17 ILE CB C 17 37.817 37.586 0.231 1
1 200 . 6 1 1 A 17 17 ILE N N 17 117.395 119.268 -1.873 1
1 201 . 6 1 1 A 18 18 LYS H H 18 7.633 7.625 0.008 1
1 202 . 6 1 1 A 18 18 LYS HA H 18 3.748 4.035 -0.287 1
1 209 . 6 1 1 A 18 18 LYS C C 18 179.199 179.520 -0.321 1
1 210 . 6 1 1 A 18 18 LYS CA C 18 60.001 59.753 0.248 1
1 211 . 6 1 1 A 18 18 LYS CB C 18 32.538 31.984 0.554 1
1 213 . 6 1 1 A 18 18 LYS N N 18 119.143 122.690 -3.547 1
1 214 . 6 1 1 A 19 19 GLU H H 19 8.192 7.690 0.502 1
1 215 . 6 1 1 A 19 19 GLU HA H 19 3.942 4.051 -0.109 1
1 220 . 6 1 1 A 19 19 GLU C C 19 179.813 178.765 1.048 1
1 221 . 6 1 1 A 19 19 GLU CA C 19 59.577 58.950 0.627 1
1 222 . 6 1 1 A 19 19 GLU CB C 19 29.756 29.450 0.306 1
1 224 . 6 1 1 A 19 19 GLU N N 19 118.201 120.017 -1.816 1
1 225 . 6 1 1 A 20 20 LEU H H 20 8.128 7.956 0.172 1
1 226 . 6 1 1 A 20 20 LEU HA H 20 3.877 4.138 -0.261 1
1 233 . 6 1 1 A 20 20 LEU C C 20 178.906 178.815 0.091 1
1 234 . 6 1 1 A 20 20 LEU CA C 20 58.171 57.681 0.490 1
1 235 . 6 1 1 A 20 20 LEU CB C 20 41.496 41.968 -0.472 1
1 238 . 6 1 1 A 20 20 LEU N N 20 119.841 121.598 -1.757 1
1 239 . 6 1 1 A 21 21 VAL H H 21 9.063 8.399 0.664 1
1 240 . 6 1 1 A 21 21 VAL HA H 21 3.608 3.583 0.025 1
1 245 . 6 1 1 A 21 21 VAL C C 21 176.301 177.630 -1.329 1
1 246 . 6 1 1 A 21 21 VAL CA C 21 66.684 67.190 -0.506 1
1 247 . 6 1 1 A 21 21 VAL CB C 21 31.879 31.368 0.511 1
1 249 . 6 1 1 A 21 21 VAL N N 21 122.114 119.546 2.568 1
1 250 . 6 1 1 A 22 22 ASP H H 22 8.427 7.970 0.457 1
1 251 . 6 1 1 A 22 22 ASP HA H 22 4.276 4.531 -0.255 1
1 254 . 6 1 1 A 22 22 ASP C C 22 177.428 177.789 -0.361 1
1 255 . 6 1 1 A 22 22 ASP CA C 22 57.143 56.245 0.898 1
1 256 . 6 1 1 A 22 22 ASP CB C 22 40.015 41.502 -1.487 1
1 257 . 6 1 1 A 22 22 ASP N N 22 122.544 120.332 2.212 1
1 258 . 6 1 1 A 23 23 ALA H H 23 7.451 7.753 -0.302 1
1 259 . 6 1 1 A 23 23 ALA HA H 23 4.284 4.325 -0.041 1
1 263 . 6 1 1 A 23 23 ALA C C 23 177.647 177.878 -0.231 1
1 264 . 6 1 1 A 23 23 ALA CA C 23 52.140 52.163 -0.023 1
1 265 . 6 1 1 A 23 23 ALA CB C 23 19.094 19.732 -0.638 1
1 266 . 6 1 1 A 23 23 ALA N N 23 119.690 118.751 0.939 1
1 267 . 6 1 1 A 24 24 GLY H H 24 8.007 8.247 -0.240 1
1 268 . 6 1 1 A 24 24 GLY HA2 H 24 3.930 3.946 -0.016 1
1 269 . 6 1 1 A 24 24 GLY HA3 H 24 3.786 3.959 -0.173 1
1 270 . 6 1 1 A 24 24 GLY C C 24 174.852 173.449 1.403 1
1 271 . 6 1 1 A 24 24 GLY CA C 24 45.939 45.633 0.306 1
1 272 . 6 1 1 A 24 24 GLY N N 24 107.876 106.611 1.265 1
1 273 . 6 1 1 A 25 25 ILE H H 25 7.628 8.124 -0.496 1
1 274 . 6 1 1 A 25 25 ILE HA H 25 3.880 4.702 -0.822 1
1 281 . 6 1 1 A 25 25 ILE C C 25 174.954 174.016 0.938 1
1 282 . 6 1 1 A 25 25 ILE CA C 25 58.787 60.244 -1.457 1
1 283 . 6 1 1 A 25 25 ILE CB C 25 36.014 39.453 -3.439 1
1 286 . 6 1 1 A 25 25 ILE N N 25 121.226 120.347 0.879 1
1 287 . 6 1 1 A 26 26 ALA H H 26 8.454 8.639 -0.185 1
1 288 . 6 1 1 A 26 26 ALA HA H 26 4.164 4.236 -0.072 1
1 292 . 6 1 1 A 26 26 ALA C C 26 178.921 178.248 0.673 1
1 293 . 6 1 1 A 26 26 ALA CA C 26 52.978 52.523 0.455 1
1 294 . 6 1 1 A 26 26 ALA CB C 26 19.648 19.236 0.412 1
1 295 . 6 1 1 A 26 26 ALA N N 26 127.062 125.046 2.016 1
1 296 . 6 1 1 A 27 27 GLU H H 27 8.652 8.642 0.010 1
1 297 . 6 1 1 A 27 27 GLU HA H 27 3.728 4.070 -0.342 1
1 302 . 6 1 1 A 27 27 GLU C C 27 179.886 178.690 1.196 1
1 303 . 6 1 1 A 27 27 GLU CA C 27 59.830 59.248 0.582 1
1 304 . 6 1 1 A 27 27 GLU CB C 27 29.682 29.468 0.214 1
1 306 . 6 1 1 A 27 27 GLU N N 27 122.104 124.464 -2.360 1
1 307 . 6 1 1 A 28 28 LYS H H 28 8.315 8.130 0.185 1
1 308 . 6 1 1 A 28 28 LYS HA H 28 3.789 4.006 -0.217 1
1 315 . 6 1 1 A 28 28 LYS C C 28 177.179 178.643 -1.464 1
1 316 . 6 1 1 A 28 28 LYS CA C 28 58.673 59.353 -0.680 1
1 317 . 6 1 1 A 28 28 LYS CB C 28 31.279 32.120 -0.841 1
1 320 . 6 1 1 A 28 28 LYS N N 28 119.368 120.687 -1.319 1
1 321 . 6 1 1 A 29 29 TYR H H 29 7.372 8.226 -0.854 1
1 322 . 6 1 1 A 29 29 TYR HA H 29 4.448 4.256 0.192 1
1 329 . 6 1 1 A 29 29 TYR C C 29 177.413 178.528 -1.115 1
1 330 . 6 1 1 A 29 29 TYR CA C 29 59.246 60.949 -1.703 1
1 331 . 6 1 1 A 29 29 TYR CB C 29 38.528 37.604 0.924 1
1 336 . 6 1 1 A 29 29 TYR N N 29 116.907 118.900 -1.993 1
1 337 . 6 1 1 A 30 30 ILE H H 30 7.448 8.506 -1.058 1
1 338 . 6 1 1 A 30 30 ILE HA H 30 3.359 3.815 -0.456 1
1 345 . 6 1 1 A 30 30 ILE C C 30 177.662 177.770 -0.108 1
1 346 . 6 1 1 A 30 30 ILE CA C 30 65.541 63.605 1.936 1
1 347 . 6 1 1 A 30 30 ILE CB C 30 37.362 37.535 -0.173 1
1 350 . 6 1 1 A 30 30 ILE N N 30 120.953 120.882 0.071 1
1 351 . 6 1 1 A 31 31 LYS H H 31 7.835 8.159 -0.324 1
1 352 . 6 1 1 A 31 31 LYS HA H 31 3.831 4.056 -0.225 1
1 357 . 6 1 1 A 31 31 LYS C C 31 178.218 179.120 -0.902 1
1 358 . 6 1 1 A 31 31 LYS CA C 31 58.702 59.071 -0.369 1
1 359 . 6 1 1 A 31 31 LYS CB C 31 32.198 31.933 0.265 1
1 363 . 6 1 1 A 31 31 LYS N N 31 116.536 122.282 -5.746 1
1 364 . 6 1 1 A 32 32 LEU H H 32 7.335 7.696 -0.361 1
1 365 . 6 1 1 A 32 32 LEU HA H 32 3.905 3.946 -0.041 1
1 372 . 6 1 1 A 32 32 LEU C C 32 179.901 179.411 0.490 1
1 373 . 6 1 1 A 32 32 LEU CA C 32 57.366 57.944 -0.578 1
1 374 . 6 1 1 A 32 32 LEU CB C 32 41.550 41.465 0.085 1
1 377 . 6 1 1 A 32 32 LEU N N 32 117.191 118.685 -1.494 1
1 378 . 6 1 1 A 33 33 ILE H H 33 7.409 7.455 -0.046 1
1 379 . 6 1 1 A 33 33 ILE HA H 33 3.522 4.026 -0.504 1
1 389 . 6 1 1 A 33 33 ILE C C 33 177.354 178.215 -0.861 1
1 390 . 6 1 1 A 33 33 ILE CA C 33 62.128 63.552 -1.424 1
1 391 . 6 1 1 A 33 33 ILE CB C 33 35.578 37.941 -2.363 1
1 395 . 6 1 1 A 33 33 ILE N N 33 117.873 114.161 3.712 1
1 396 . 6 1 1 A 34 34 ALA H H 34 7.615 8.932 -1.317 1
1 397 . 6 1 1 A 34 34 ALA HA H 34 3.774 4.071 -0.297 1
1 401 . 6 1 1 A 34 34 ALA C C 34 178.789 179.955 -1.166 1
1 402 . 6 1 1 A 34 34 ALA CA C 34 54.717 54.858 -0.141 1
1 403 . 6 1 1 A 34 34 ALA CB C 34 18.384 18.305 0.079 1
1 404 . 6 1 1 A 34 34 ALA N N 34 119.178 123.880 -4.702 1
1 405 . 6 1 1 A 35 35 ASN H H 35 7.354 8.152 -0.798 1
1 406 . 6 1 1 A 35 35 ASN HA H 35 4.572 4.685 -0.113 1
1 409 . 6 1 1 A 35 35 ASN C C 35 175.482 175.086 0.396 1
1 410 . 6 1 1 A 35 35 ASN CA C 35 52.835 53.233 -0.398 1
1 411 . 6 1 1 A 35 35 ASN CB C 35 39.178 39.063 0.115 1
1 412 . 6 1 1 A 35 35 ASN N N 35 113.033 116.901 -3.868 1
1 413 . 6 1 1 A 36 36 ALA H H 36 7.439 8.069 -0.630 1
1 414 . 6 1 1 A 36 36 ALA HA H 36 4.078 3.956 0.122 1
1 418 . 6 1 1 A 36 36 ALA C C 36 177.852 176.994 0.858 1
1 419 . 6 1 1 A 36 36 ALA CA C 36 53.179 54.217 -1.038 1
1 420 . 6 1 1 A 36 36 ALA CB C 36 19.460 18.000 1.460 1
1 421 . 6 1 1 A 36 36 ALA N N 36 123.843 120.832 3.011 1
1 422 . 6 1 1 A 37 37 LYS H H 37 8.739 8.804 -0.065 1
1 423 . 6 1 1 A 37 37 LYS HA H 37 4.238 4.310 -0.072 1
1 428 . 6 1 1 A 37 37 LYS C C 37 176.652 175.162 1.490 1
1 429 . 6 1 1 A 37 37 LYS CA C 37 56.659 58.059 -1.400 1
1 430 . 6 1 1 A 37 37 LYS CB C 37 34.979 32.269 2.710 1
1 434 . 6 1 1 A 37 37 LYS N N 37 117.112 119.383 -2.271 1
1 435 . 6 1 1 A 38 38 THR H H 38 7.340 7.629 -0.289 1
1 436 . 6 1 1 A 38 38 THR HA H 38 4.515 4.713 -0.198 1
1 440 . 6 1 1 A 38 38 THR C C 38 173.974 174.729 -0.755 1
1 441 . 6 1 1 A 38 38 THR CA C 38 58.511 59.812 -1.301 1
1 442 . 6 1 1 A 38 38 THR CB C 38 72.797 68.955 3.842 1
1 444 . 6 1 1 A 38 38 THR N N 38 106.407 108.589 -2.182 1
1 445 . 6 1 1 A 39 39 VAL H H 39 8.886 8.186 0.700 1
1 446 . 6 1 1 A 39 39 VAL HA H 39 2.956 3.863 -0.907 1
1 451 . 6 1 1 A 39 39 VAL C C 39 176.754 177.172 -0.418 1
1 452 . 6 1 1 A 39 39 VAL CA C 39 67.409 65.524 1.885 1
1 453 . 6 1 1 A 39 39 VAL CB C 39 30.821 31.861 -1.040 1
1 455 . 6 1 1 A 39 39 VAL N N 39 122.964 123.993 -1.029 1
1 456 . 6 1 1 A 40 40 GLU H H 40 8.839 8.699 0.140 1
1 457 . 6 1 1 A 40 40 GLU HA H 40 3.865 4.141 -0.276 1
1 462 . 6 1 1 A 40 40 GLU C C 40 179.345 180.103 -0.758 1
1 463 . 6 1 1 A 40 40 GLU CA C 40 60.003 59.550 0.453 1
1 464 . 6 1 1 A 40 40 GLU CB C 40 28.676 29.014 -0.338 1
1 466 . 6 1 1 A 40 40 GLU N N 40 117.880 120.714 -2.834 1
1 467 . 6 1 1 A 41 41 GLY H H 41 8.095 8.335 -0.240 1
1 468 . 6 1 1 A 41 41 GLY HA2 H 41 3.931 3.714 0.217 1
1 469 . 6 1 1 A 41 41 GLY HA3 H 41 3.730 3.731 -0.001 1
1 470 . 6 1 1 A 41 41 GLY C C 41 176.271 175.588 0.683 1
1 471 . 6 1 1 A 41 41 GLY CA C 41 46.388 47.508 -1.120 1
1 472 . 6 1 1 A 41 41 GLY N N 41 108.686 108.929 -0.243 1
1 473 . 6 1 1 A 42 42 VAL H H 42 7.772 9.020 -1.248 1
1 474 . 6 1 1 A 42 42 VAL HA H 42 3.087 3.793 -0.706 1
1 479 . 6 1 1 A 42 42 VAL C C 42 177.003 178.051 -1.048 1
1 480 . 6 1 1 A 42 42 VAL CA C 42 67.068 65.669 1.399 1
1 481 . 6 1 1 A 42 42 VAL CB C 42 30.987 31.598 -0.611 1
1 483 . 6 1 1 A 42 42 VAL N N 42 123.069 121.981 1.088 1
1 484 . 6 1 1 A 43 43 TRP H H 43 7.518 7.600 -0.082 1
1 485 . 6 1 1 A 43 43 TRP HA H 43 4.469 4.362 0.107 1
1 493 . 6 1 1 A 43 43 TRP C C 43 179.023 178.314 0.709 1
1 494 . 6 1 1 A 43 43 TRP CA C 43 59.134 60.459 -1.325 1
1 495 . 6 1 1 A 43 43 TRP CB C 43 29.437 29.381 0.056 1
1 500 . 6 1 1 A 43 43 TRP N N 43 118.322 121.632 -3.310 1
1 502 . 6 1 1 A 44 44 THR H H 44 8.408 8.300 0.108 1
1 503 . 6 1 1 A 44 44 THR HA H 44 3.971 4.038 -0.067 1
1 508 . 6 1 1 A 44 44 THR C C 44 177.047 176.283 0.764 1
1 509 . 6 1 1 A 44 44 THR CA C 44 66.396 67.024 -0.628 1
1 510 . 6 1 1 A 44 44 THR CB C 44 69.069 68.901 0.168 1
1 512 . 6 1 1 A 44 44 THR N N 44 114.912 115.467 -0.555 1
1 513 . 6 1 1 A 45 45 LEU H H 45 7.862 9.835 -1.973 1
1 514 . 6 1 1 A 45 45 LEU HA H 45 3.584 3.971 -0.387 1
1 521 . 6 1 1 A 45 45 LEU C C 45 178.189 179.591 -1.402 1
1 522 . 6 1 1 A 45 45 LEU CA C 45 57.671 57.758 -0.087 1
1 523 . 6 1 1 A 45 45 LEU CB C 45 42.389 41.530 0.859 1
1 525 . 6 1 1 A 45 45 LEU N N 45 123.153 120.654 2.499 1
1 526 . 6 1 1 A 46 46 LYS H H 46 8.569 7.509 1.060 1
1 527 . 6 1 1 A 46 46 LYS HA H 46 3.587 4.046 -0.459 1
1 532 . 6 1 1 A 46 46 LYS C C 46 177.354 178.767 -1.413 1
1 533 . 6 1 1 A 46 46 LYS CA C 46 60.799 59.608 1.191 1
1 534 . 6 1 1 A 46 46 LYS CB C 46 30.790 31.973 -1.183 1
1 536 . 6 1 1 A 46 46 LYS N N 46 119.398 121.002 -1.604 1
1 537 . 6 1 1 A 47 47 ASP H H 47 7.694 7.920 -0.226 1
1 538 . 6 1 1 A 47 47 ASP HA H 47 4.325 4.223 0.102 1
1 541 . 6 1 1 A 47 47 ASP C C 47 179.023 178.660 0.363 1
1 542 . 6 1 1 A 47 47 ASP CA C 47 57.107 56.641 0.466 1
1 543 . 6 1 1 A 47 47 ASP CB C 47 40.292 40.480 -0.188 1
1 544 . 6 1 1 A 47 47 ASP N N 47 116.887 119.618 -2.731 1
1 545 . 6 1 1 A 48 48 GLU H H 48 7.931 8.175 -0.244 1
1 546 . 6 1 1 A 48 48 GLU HA H 48 3.773 4.080 -0.307 1
1 551 . 6 1 1 A 48 48 GLU C C 48 179.125 178.514 0.611 1
1 552 . 6 1 1 A 48 48 GLU CA C 48 59.422 58.647 0.775 1
1 553 . 6 1 1 A 48 48 GLU CB C 48 29.598 29.451 0.147 1
1 555 . 6 1 1 A 48 48 GLU N N 48 121.719 118.994 2.725 1
1 556 . 6 1 1 A 49 49 ILE H H 49 8.553 8.621 -0.068 1
1 557 . 6 1 1 A 49 49 ILE HA H 49 3.424 3.363 0.061 1
1 565 . 6 1 1 A 49 49 ILE C C 49 178.262 177.080 1.182 1
1 566 . 6 1 1 A 49 49 ILE CA C 49 64.372 62.789 1.583 1
1 567 . 6 1 1 A 49 49 ILE CB C 49 38.278 37.181 1.097 1
1 571 . 6 1 1 A 49 49 ILE N N 49 120.672 120.179 0.493 1
1 572 . 6 1 1 A 50 50 LEU H H 50 7.831 7.448 0.383 1
1 573 . 6 1 1 A 50 50 LEU HA H 50 3.795 4.140 -0.345 1
1 580 . 6 1 1 A 50 50 LEU C C 50 178.247 178.696 -0.449 1
1 581 . 6 1 1 A 50 50 LEU CA C 50 57.039 57.455 -0.416 1
1 582 . 6 1 1 A 50 50 LEU CB C 50 41.815 42.030 -0.215 1
1 585 . 6 1 1 A 50 50 LEU N N 50 117.810 122.347 -4.537 1
1 586 . 6 1 1 A 51 51 THR H H 51 7.560 8.033 -0.473 1
1 587 . 6 1 1 A 51 51 THR HA H 51 4.066 3.941 0.125 1
1 592 . 6 1 1 A 51 51 THR C C 51 175.276 175.444 -0.168 1
1 593 . 6 1 1 A 51 51 THR CA C 51 63.281 66.386 -3.105 1
1 594 . 6 1 1 A 51 51 THR CB C 51 69.695 68.405 1.290 1
1 596 . 6 1 1 A 51 51 THR N N 51 110.196 115.522 -5.326 1
1 597 . 6 1 1 A 52 52 PHE H H 52 7.744 7.665 0.079 1
1 598 . 6 1 1 A 52 52 PHE HA H 52 4.484 4.532 -0.048 1
1 605 . 6 1 1 A 52 52 PHE C C 52 176.549 175.031 1.518 1
1 606 . 6 1 1 A 52 52 PHE CA C 52 57.742 58.078 -0.336 1
1 607 . 6 1 1 A 52 52 PHE CB C 52 37.819 39.587 -1.768 1
1 612 . 6 1 1 A 52 52 PHE N N 52 120.944 119.740 1.204 1
1 613 . 6 1 1 A 53 53 THR H H 53 8.028 7.732 0.296 1
1 614 . 6 1 1 A 53 53 THR HA H 53 4.085 4.347 -0.262 1
1 619 . 6 1 1 A 53 53 THR C C 53 174.471 172.336 2.135 1
1 620 . 6 1 1 A 53 53 THR CA C 53 62.330 60.835 1.495 1
1 621 . 6 1 1 A 53 53 THR CB C 53 69.725 69.296 0.429 1
1 623 . 6 1 1 A 53 53 THR N N 53 113.551 114.508 -0.957 1
1 624 . 6 1 1 A 54 54 VAL H H 54 7.827 7.944 -0.117 1
1 625 . 6 1 1 A 54 54 VAL HA H 54 4.047 4.602 -0.555 1
1 630 . 6 1 1 A 54 54 VAL C C 54 176.067 175.631 0.436 1
1 631 . 6 1 1 A 54 54 VAL CA C 54 62.299 60.266 2.033 1
1 632 . 6 1 1 A 54 54 VAL CB C 54 32.633 35.171 -2.538 1
1 634 . 6 1 1 A 54 54 VAL N N 54 122.128 125.703 -3.575 1
1 635 . 6 1 1 A 55 55 THR H H 55 8.233 9.088 -0.855 1
1 636 . 6 1 1 A 55 55 THR HA H 55 4.212 3.829 0.383 1
1 640 . 6 1 1 A 55 55 THR C C 55 173.647 175.890 -2.243 1
1 641 . 6 1 1 A 55 55 THR CA C 55 61.620 66.407 -4.787 1
1 642 . 6 1 1 A 55 55 THR CB C 55 69.862 69.233 0.629 1
1 644 . 6 1 1 A 55 55 THR N N 55 118.471 122.646 -4.175 1
1 3 . 7 1 1 A 2 2 THR H H 2 7.970 8.296 -0.326 1
1 4 . 7 1 1 A 2 2 THR HA H 2 4.183 4.567 -0.384 1
1 9 . 7 1 1 A 2 2 THR C C 2 173.875 175.706 -1.831 1
1 10 . 7 1 1 A 2 2 THR CA C 2 61.768 62.289 -0.521 1
1 11 . 7 1 1 A 2 2 THR CB C 2 69.631 70.962 -1.331 1
1 13 . 7 1 1 A 2 2 THR N N 2 128.423 114.255 14.168 1
1 14 . 7 1 1 A 3 3 TYR H H 3 8.247 7.958 0.289 1
1 15 . 7 1 1 A 3 3 TYR HA H 3 4.271 4.174 0.097 1
1 22 . 7 1 1 A 3 3 TYR C C 3 175.714 174.065 1.649 1
1 23 . 7 1 1 A 3 3 TYR CA C 3 58.145 59.299 -1.154 1
1 24 . 7 1 1 A 3 3 TYR CB C 3 38.753 36.122 2.631 1
1 27 . 7 1 1 A 3 3 TYR N N 3 123.871 117.669 6.202 1
1 28 . 7 1 1 A 4 4 LYS H H 4 8.009 7.731 0.278 1
1 29 . 7 1 1 A 4 4 LYS HA H 4 3.963 4.542 -0.579 1
1 36 . 7 1 1 A 4 4 LYS C C 4 175.979 175.518 0.461 1
1 37 . 7 1 1 A 4 4 LYS CA C 4 56.821 56.190 0.631 1
1 38 . 7 1 1 A 4 4 LYS CB C 4 32.981 33.538 -0.557 1
1 40 . 7 1 1 A 4 4 LYS N N 4 122.309 118.147 4.162 1
1 41 . 7 1 1 A 5 5 LEU H H 5 7.918 9.001 -1.083 1
1 42 . 7 1 1 A 5 5 LEU HA H 5 4.151 4.545 -0.394 1
1 49 . 7 1 1 A 5 5 LEU C C 5 176.945 176.618 0.327 1
1 50 . 7 1 1 A 5 5 LEU CA C 5 55.320 56.063 -0.743 1
1 51 . 7 1 1 A 5 5 LEU CB C 5 42.054 43.733 -1.679 1
1 55 . 7 1 1 A 5 5 LEU N N 5 121.830 128.062 -6.232 1
1 56 . 7 1 1 A 6 6 ILE H H 6 7.974 7.454 0.520 1
1 57 . 7 1 1 A 6 6 ILE HA H 6 3.959 4.422 -0.463 1
1 67 . 7 1 1 A 6 6 ILE C C 6 176.110 174.575 1.535 1
1 68 . 7 1 1 A 6 6 ILE CA C 6 61.287 60.281 1.006 1
1 69 . 7 1 1 A 6 6 ILE CB C 6 38.228 40.368 -2.140 1
1 73 . 7 1 1 A 6 6 ILE N N 6 121.898 114.916 6.982 1
1 74 . 7 1 1 A 7 7 LEU H H 7 8.071 8.637 -0.566 1
1 75 . 7 1 1 A 7 7 LEU HA H 7 4.316 4.292 0.024 1
1 82 . 7 1 1 A 7 7 LEU C C 7 176.915 177.529 -0.614 1
1 83 . 7 1 1 A 7 7 LEU CA C 7 55.177 56.471 -1.294 1
1 84 . 7 1 1 A 7 7 LEU CB C 7 43.080 42.135 0.945 1
1 86 . 7 1 1 A 7 7 LEU N N 7 125.296 126.750 -1.454 1
1 87 . 7 1 1 A 8 8 ASN H H 8 8.021 7.871 0.150 1
1 88 . 7 1 1 A 8 8 ASN HA H 8 4.570 4.992 -0.422 1
1 91 . 7 1 1 A 8 8 ASN C C 8 175.203 174.611 0.592 1
1 92 . 7 1 1 A 8 8 ASN CA C 8 52.320 52.543 -0.223 1
1 93 . 7 1 1 A 8 8 ASN CB C 8 39.229 38.555 0.674 1
1 94 . 7 1 1 A 8 8 ASN N N 8 117.805 113.123 4.682 1
1 95 . 7 1 1 A 9 9 LEU H H 9 8.385 8.228 0.157 1
1 96 . 7 1 1 A 9 9 LEU HA H 9 3.718 4.003 -0.285 1
1 106 . 7 1 1 A 9 9 LEU C C 9 177.150 178.871 -1.721 1
1 107 . 7 1 1 A 9 9 LEU CA C 9 58.501 58.089 0.412 1
1 108 . 7 1 1 A 9 9 LEU CB C 9 42.085 41.064 1.021 1
1 111 . 7 1 1 A 9 9 LEU N N 9 122.110 122.474 -0.364 1
1 112 . 7 1 1 A 10 10 LYS H H 10 8.027 8.254 -0.227 1
1 113 . 7 1 1 A 10 10 LYS HA H 10 3.824 3.900 -0.076 1
1 118 . 7 1 1 A 10 10 LYS C C 10 178.555 178.942 -0.387 1
1 119 . 7 1 1 A 10 10 LYS CA C 10 59.893 59.753 0.140 1
1 120 . 7 1 1 A 10 10 LYS CB C 10 32.143 32.217 -0.074 1
1 123 . 7 1 1 A 10 10 LYS N N 10 118.739 119.395 -0.656 1
1 124 . 7 1 1 A 11 11 GLN H H 11 7.574 7.886 -0.312 1
1 125 . 7 1 1 A 11 11 GLN HA H 11 3.984 4.145 -0.161 1
1 130 . 7 1 1 A 11 11 GLN C C 11 175.218 178.224 -3.006 1
1 131 . 7 1 1 A 11 11 GLN CA C 11 59.252 58.805 0.447 1
1 132 . 7 1 1 A 11 11 GLN CB C 11 29.579 28.323 1.256 1
1 134 . 7 1 1 A 11 11 GLN N N 11 117.396 117.942 -0.546 1
1 135 . 7 1 1 A 12 12 ALA H H 12 8.432 7.888 0.544 1
1 136 . 7 1 1 A 12 12 ALA HA H 12 4.001 3.796 0.205 1
1 140 . 7 1 1 A 12 12 ALA C C 12 179.374 179.857 -0.483 1
1 141 . 7 1 1 A 12 12 ALA CA C 12 55.373 54.980 0.393 1
1 142 . 7 1 1 A 12 12 ALA CB C 12 18.214 18.419 -0.205 1
1 143 . 7 1 1 A 12 12 ALA N N 12 122.547 122.649 -0.102 1
1 144 . 7 1 1 A 13 13 LYS H H 13 8.276 8.165 0.111 1
1 145 . 7 1 1 A 13 13 LYS HA H 13 3.404 4.070 -0.666 1
1 152 . 7 1 1 A 13 13 LYS C C 13 178.467 178.764 -0.297 1
1 153 . 7 1 1 A 13 13 LYS CA C 13 60.801 59.053 1.748 1
1 154 . 7 1 1 A 13 13 LYS CB C 13 33.111 32.247 0.864 1
1 157 . 7 1 1 A 13 13 LYS N N 13 116.459 117.218 -0.759 1
1 158 . 7 1 1 A 14 14 GLU H H 14 7.840 7.947 -0.107 1
1 159 . 7 1 1 A 14 14 GLU HA H 14 3.755 4.032 -0.277 1
1 164 . 7 1 1 A 14 14 GLU C C 14 177.720 178.371 -0.651 1
1 165 . 7 1 1 A 14 14 GLU CA C 14 59.737 59.480 0.257 1
1 166 . 7 1 1 A 14 14 GLU CB C 14 29.453 29.266 0.187 1
1 168 . 7 1 1 A 14 14 GLU N N 14 116.581 119.826 -3.245 1
1 169 . 7 1 1 A 15 15 GLU H H 15 8.269 8.219 0.050 1
1 170 . 7 1 1 A 15 15 GLU HA H 15 3.961 4.010 -0.049 1
1 175 . 7 1 1 A 15 15 GLU C C 15 178.438 178.752 -0.314 1
1 176 . 7 1 1 A 15 15 GLU CA C 15 58.383 59.194 -0.811 1
1 177 . 7 1 1 A 15 15 GLU CB C 15 28.994 29.070 -0.076 1
1 179 . 7 1 1 A 15 15 GLU N N 15 115.657 119.624 -3.967 1
1 180 . 7 1 1 A 16 16 ALA H H 16 8.500 7.554 0.946 1
1 181 . 7 1 1 A 16 16 ALA HA H 16 3.939 3.979 -0.040 1
1 185 . 7 1 1 A 16 16 ALA C C 16 179.330 180.080 -0.750 1
1 186 . 7 1 1 A 16 16 ALA CA C 16 55.401 55.040 0.361 1
1 187 . 7 1 1 A 16 16 ALA CB C 16 18.980 18.093 0.887 1
1 188 . 7 1 1 A 16 16 ALA N N 16 122.087 121.897 0.190 1
1 189 . 7 1 1 A 17 17 ILE H H 17 8.598 8.712 -0.114 1
1 190 . 7 1 1 A 17 17 ILE HA H 17 3.334 3.631 -0.297 1
1 195 . 7 1 1 A 17 17 ILE C C 17 177.120 178.106 -0.986 1
1 196 . 7 1 1 A 17 17 ILE CA C 17 66.876 65.191 1.685 1
1 197 . 7 1 1 A 17 17 ILE CB C 17 37.817 37.923 -0.106 1
1 200 . 7 1 1 A 17 17 ILE N N 17 117.395 118.792 -1.397 1
1 201 . 7 1 1 A 18 18 LYS H H 18 7.633 7.660 -0.027 1
1 202 . 7 1 1 A 18 18 LYS HA H 18 3.748 3.946 -0.198 1
1 209 . 7 1 1 A 18 18 LYS C C 18 179.199 179.795 -0.596 1
1 210 . 7 1 1 A 18 18 LYS CA C 18 60.001 59.915 0.086 1
1 211 . 7 1 1 A 18 18 LYS CB C 18 32.538 32.029 0.509 1
1 213 . 7 1 1 A 18 18 LYS N N 18 119.143 118.602 0.541 1
1 214 . 7 1 1 A 19 19 GLU H H 19 8.192 7.837 0.355 1
1 215 . 7 1 1 A 19 19 GLU HA H 19 3.942 4.046 -0.104 1
1 220 . 7 1 1 A 19 19 GLU C C 19 179.813 178.781 1.032 1
1 221 . 7 1 1 A 19 19 GLU CA C 19 59.577 59.002 0.575 1
1 222 . 7 1 1 A 19 19 GLU CB C 19 29.756 29.503 0.253 1
1 224 . 7 1 1 A 19 19 GLU N N 19 118.201 119.734 -1.533 1
1 225 . 7 1 1 A 20 20 LEU H H 20 8.128 7.970 0.158 1
1 226 . 7 1 1 A 20 20 LEU HA H 20 3.877 4.153 -0.276 1
1 233 . 7 1 1 A 20 20 LEU C C 20 178.906 178.815 0.091 1
1 234 . 7 1 1 A 20 20 LEU CA C 20 58.171 57.710 0.461 1
1 235 . 7 1 1 A 20 20 LEU CB C 20 41.496 41.947 -0.451 1
1 238 . 7 1 1 A 20 20 LEU N N 20 119.841 121.597 -1.756 1
1 239 . 7 1 1 A 21 21 VAL H H 21 9.063 8.863 0.200 1
1 240 . 7 1 1 A 21 21 VAL HA H 21 3.608 3.570 0.038 1
1 245 . 7 1 1 A 21 21 VAL C C 21 176.301 177.357 -1.056 1
1 246 . 7 1 1 A 21 21 VAL CA C 21 66.684 67.083 -0.399 1
1 247 . 7 1 1 A 21 21 VAL CB C 21 31.879 31.372 0.507 1
1 249 . 7 1 1 A 21 21 VAL N N 21 122.114 119.517 2.597 1
1 250 . 7 1 1 A 22 22 ASP H H 22 8.427 7.821 0.606 1
1 251 . 7 1 1 A 22 22 ASP HA H 22 4.276 4.498 -0.222 1
1 254 . 7 1 1 A 22 22 ASP C C 22 177.428 178.010 -0.582 1
1 255 . 7 1 1 A 22 22 ASP CA C 22 57.143 56.737 0.406 1
1 256 . 7 1 1 A 22 22 ASP CB C 22 40.015 41.018 -1.003 1
1 257 . 7 1 1 A 22 22 ASP N N 22 122.544 120.692 1.852 1
1 258 . 7 1 1 A 23 23 ALA H H 23 7.451 7.772 -0.321 1
1 259 . 7 1 1 A 23 23 ALA HA H 23 4.284 4.306 -0.022 1
1 263 . 7 1 1 A 23 23 ALA C C 23 177.647 177.832 -0.185 1
1 264 . 7 1 1 A 23 23 ALA CA C 23 52.140 52.247 -0.107 1
1 265 . 7 1 1 A 23 23 ALA CB C 23 19.094 19.703 -0.609 1
1 266 . 7 1 1 A 23 23 ALA N N 23 119.690 119.179 0.511 1
1 267 . 7 1 1 A 24 24 GLY H H 24 8.007 8.408 -0.401 1
1 268 . 7 1 1 A 24 24 GLY HA2 H 24 3.930 3.910 0.020 1
1 269 . 7 1 1 A 24 24 GLY HA3 H 24 3.786 3.922 -0.136 1
1 270 . 7 1 1 A 24 24 GLY C C 24 174.852 173.566 1.286 1
1 271 . 7 1 1 A 24 24 GLY CA C 24 45.939 46.605 -0.666 1
1 272 . 7 1 1 A 24 24 GLY N N 24 107.876 107.089 0.787 1
1 273 . 7 1 1 A 25 25 ILE H H 25 7.628 8.012 -0.384 1
1 274 . 7 1 1 A 25 25 ILE HA H 25 3.880 4.609 -0.729 1
1 281 . 7 1 1 A 25 25 ILE C C 25 174.954 174.052 0.902 1
1 282 . 7 1 1 A 25 25 ILE CA C 25 58.787 60.153 -1.366 1
1 283 . 7 1 1 A 25 25 ILE CB C 25 36.014 39.275 -3.261 1
1 286 . 7 1 1 A 25 25 ILE N N 25 121.226 119.918 1.308 1
1 287 . 7 1 1 A 26 26 ALA H H 26 8.454 8.594 -0.140 1
1 288 . 7 1 1 A 26 26 ALA HA H 26 4.164 4.167 -0.003 1
1 292 . 7 1 1 A 26 26 ALA C C 26 178.921 179.083 -0.162 1
1 293 . 7 1 1 A 26 26 ALA CA C 26 52.978 52.971 0.007 1
1 294 . 7 1 1 A 26 26 ALA CB C 26 19.648 19.501 0.147 1
1 295 . 7 1 1 A 26 26 ALA N N 26 127.062 125.396 1.666 1
1 296 . 7 1 1 A 27 27 GLU H H 27 8.652 8.807 -0.155 1
1 297 . 7 1 1 A 27 27 GLU HA H 27 3.728 4.080 -0.352 1
1 302 . 7 1 1 A 27 27 GLU C C 27 179.886 178.774 1.112 1
1 303 . 7 1 1 A 27 27 GLU CA C 27 59.830 58.928 0.902 1
1 304 . 7 1 1 A 27 27 GLU CB C 27 29.682 28.605 1.077 1
1 306 . 7 1 1 A 27 27 GLU N N 27 122.104 124.894 -2.790 1
1 307 . 7 1 1 A 28 28 LYS H H 28 8.315 8.142 0.173 1
1 308 . 7 1 1 A 28 28 LYS HA H 28 3.789 4.031 -0.242 1
1 315 . 7 1 1 A 28 28 LYS C C 28 177.179 178.565 -1.386 1
1 316 . 7 1 1 A 28 28 LYS CA C 28 58.673 59.435 -0.762 1
1 317 . 7 1 1 A 28 28 LYS CB C 28 31.279 32.149 -0.870 1
1 320 . 7 1 1 A 28 28 LYS N N 28 119.368 120.567 -1.199 1
1 321 . 7 1 1 A 29 29 TYR H H 29 7.372 7.896 -0.524 1
1 322 . 7 1 1 A 29 29 TYR HA H 29 4.448 4.263 0.185 1
1 329 . 7 1 1 A 29 29 TYR C C 29 177.413 178.522 -1.109 1
1 330 . 7 1 1 A 29 29 TYR CA C 29 59.246 60.914 -1.668 1
1 331 . 7 1 1 A 29 29 TYR CB C 29 38.528 37.600 0.928 1
1 336 . 7 1 1 A 29 29 TYR N N 29 116.907 118.854 -1.947 1
1 337 . 7 1 1 A 30 30 ILE H H 30 7.448 8.568 -1.120 1
1 338 . 7 1 1 A 30 30 ILE HA H 30 3.359 3.832 -0.473 1
1 345 . 7 1 1 A 30 30 ILE C C 30 177.662 177.788 -0.126 1
1 346 . 7 1 1 A 30 30 ILE CA C 30 65.541 63.567 1.974 1
1 347 . 7 1 1 A 30 30 ILE CB C 30 37.362 37.521 -0.159 1
1 350 . 7 1 1 A 30 30 ILE N N 30 120.953 120.399 0.554 1
1 351 . 7 1 1 A 31 31 LYS H H 31 7.835 8.108 -0.273 1
1 352 . 7 1 1 A 31 31 LYS HA H 31 3.831 4.045 -0.214 1
1 357 . 7 1 1 A 31 31 LYS C C 31 178.218 179.046 -0.828 1
1 358 . 7 1 1 A 31 31 LYS CA C 31 58.702 59.073 -0.371 1
1 359 . 7 1 1 A 31 31 LYS CB C 31 32.198 31.946 0.252 1
1 363 . 7 1 1 A 31 31 LYS N N 31 116.536 122.327 -5.791 1
1 364 . 7 1 1 A 32 32 LEU H H 32 7.335 7.638 -0.303 1
1 365 . 7 1 1 A 32 32 LEU HA H 32 3.905 3.949 -0.044 1
1 372 . 7 1 1 A 32 32 LEU C C 32 179.901 179.410 0.491 1
1 373 . 7 1 1 A 32 32 LEU CA C 32 57.366 57.955 -0.589 1
1 374 . 7 1 1 A 32 32 LEU CB C 32 41.550 41.552 -0.002 1
1 377 . 7 1 1 A 32 32 LEU N N 32 117.191 118.866 -1.675 1
1 378 . 7 1 1 A 33 33 ILE H H 33 7.409 7.443 -0.034 1
1 379 . 7 1 1 A 33 33 ILE HA H 33 3.522 4.011 -0.489 1
1 389 . 7 1 1 A 33 33 ILE C C 33 177.354 178.258 -0.904 1
1 390 . 7 1 1 A 33 33 ILE CA C 33 62.128 63.565 -1.437 1
1 391 . 7 1 1 A 33 33 ILE CB C 33 35.578 37.921 -2.343 1
1 395 . 7 1 1 A 33 33 ILE N N 33 117.873 113.769 4.104 1
1 396 . 7 1 1 A 34 34 ALA H H 34 7.615 8.823 -1.208 1
1 397 . 7 1 1 A 34 34 ALA HA H 34 3.774 4.027 -0.253 1
1 401 . 7 1 1 A 34 34 ALA C C 34 178.789 179.987 -1.198 1
1 402 . 7 1 1 A 34 34 ALA CA C 34 54.717 54.816 -0.099 1
1 403 . 7 1 1 A 34 34 ALA CB C 34 18.384 18.459 -0.075 1
1 404 . 7 1 1 A 34 34 ALA N N 34 119.178 124.174 -4.996 1
1 405 . 7 1 1 A 35 35 ASN H H 35 7.354 8.103 -0.749 1
1 406 . 7 1 1 A 35 35 ASN HA H 35 4.572 4.692 -0.120 1
1 409 . 7 1 1 A 35 35 ASN C C 35 175.482 175.147 0.335 1
1 410 . 7 1 1 A 35 35 ASN CA C 35 52.835 53.834 -0.999 1
1 411 . 7 1 1 A 35 35 ASN CB C 35 39.178 39.137 0.041 1
1 412 . 7 1 1 A 35 35 ASN N N 35 113.033 116.880 -3.847 1
1 413 . 7 1 1 A 36 36 ALA H H 36 7.439 8.030 -0.591 1
1 414 . 7 1 1 A 36 36 ALA HA H 36 4.078 3.969 0.109 1
1 418 . 7 1 1 A 36 36 ALA C C 36 177.852 177.070 0.782 1
1 419 . 7 1 1 A 36 36 ALA CA C 36 53.179 54.058 -0.879 1
1 420 . 7 1 1 A 36 36 ALA CB C 36 19.460 17.989 1.471 1
1 421 . 7 1 1 A 36 36 ALA N N 36 123.843 120.810 3.033 1
1 422 . 7 1 1 A 37 37 LYS H H 37 8.739 8.840 -0.101 1
1 423 . 7 1 1 A 37 37 LYS HA H 37 4.238 4.334 -0.096 1
1 428 . 7 1 1 A 37 37 LYS C C 37 176.652 175.465 1.187 1
1 429 . 7 1 1 A 37 37 LYS CA C 37 56.659 57.916 -1.257 1
1 430 . 7 1 1 A 37 37 LYS CB C 37 34.979 32.428 2.551 1
1 434 . 7 1 1 A 37 37 LYS N N 37 117.112 119.125 -2.013 1
1 435 . 7 1 1 A 38 38 THR H H 38 7.340 7.798 -0.458 1
1 436 . 7 1 1 A 38 38 THR HA H 38 4.515 4.666 -0.151 1
1 440 . 7 1 1 A 38 38 THR C C 38 173.974 174.833 -0.859 1
1 441 . 7 1 1 A 38 38 THR CA C 38 58.511 61.134 -2.623 1
1 442 . 7 1 1 A 38 38 THR CB C 38 72.797 69.203 3.594 1
1 444 . 7 1 1 A 38 38 THR N N 38 106.407 114.672 -8.265 1
1 445 . 7 1 1 A 39 39 VAL H H 39 8.886 8.248 0.638 1
1 446 . 7 1 1 A 39 39 VAL HA H 39 2.956 3.884 -0.928 1
1 451 . 7 1 1 A 39 39 VAL C C 39 176.754 177.177 -0.423 1
1 452 . 7 1 1 A 39 39 VAL CA C 39 67.409 65.299 2.110 1
1 453 . 7 1 1 A 39 39 VAL CB C 39 30.821 31.973 -1.152 1
1 455 . 7 1 1 A 39 39 VAL N N 39 122.964 126.222 -3.258 1
1 456 . 7 1 1 A 40 40 GLU H H 40 8.839 8.642 0.197 1
1 457 . 7 1 1 A 40 40 GLU HA H 40 3.865 4.123 -0.258 1
1 462 . 7 1 1 A 40 40 GLU C C 40 179.345 180.118 -0.773 1
1 463 . 7 1 1 A 40 40 GLU CA C 40 60.003 59.397 0.606 1
1 464 . 7 1 1 A 40 40 GLU CB C 40 28.676 29.095 -0.419 1
1 466 . 7 1 1 A 40 40 GLU N N 40 117.880 120.678 -2.798 1
1 467 . 7 1 1 A 41 41 GLY H H 41 8.095 8.303 -0.208 1
1 468 . 7 1 1 A 41 41 GLY HA2 H 41 3.931 3.717 0.214 1
1 469 . 7 1 1 A 41 41 GLY HA3 H 41 3.730 3.734 -0.004 1
1 470 . 7 1 1 A 41 41 GLY C C 41 176.271 175.670 0.601 1
1 471 . 7 1 1 A 41 41 GLY CA C 41 46.388 47.491 -1.103 1
1 472 . 7 1 1 A 41 41 GLY N N 41 108.686 109.014 -0.328 1
1 473 . 7 1 1 A 42 42 VAL H H 42 7.772 9.124 -1.352 1
1 474 . 7 1 1 A 42 42 VAL HA H 42 3.087 3.777 -0.690 1
1 479 . 7 1 1 A 42 42 VAL C C 42 177.003 178.033 -1.030 1
1 480 . 7 1 1 A 42 42 VAL CA C 42 67.068 65.733 1.335 1
1 481 . 7 1 1 A 42 42 VAL CB C 42 30.987 31.561 -0.574 1
1 483 . 7 1 1 A 42 42 VAL N N 42 123.069 121.981 1.088 1
1 484 . 7 1 1 A 43 43 TRP H H 43 7.518 7.714 -0.196 1
1 485 . 7 1 1 A 43 43 TRP HA H 43 4.469 4.386 0.083 1
1 493 . 7 1 1 A 43 43 TRP C C 43 179.023 178.124 0.899 1
1 494 . 7 1 1 A 43 43 TRP CA C 43 59.134 60.750 -1.616 1
1 495 . 7 1 1 A 43 43 TRP CB C 43 29.437 29.478 -0.041 1
1 500 . 7 1 1 A 43 43 TRP N N 43 118.322 121.519 -3.197 1
1 502 . 7 1 1 A 44 44 THR H H 44 8.408 8.315 0.093 1
1 503 . 7 1 1 A 44 44 THR HA H 44 3.971 4.179 -0.208 1
1 508 . 7 1 1 A 44 44 THR C C 44 177.047 176.389 0.658 1
1 509 . 7 1 1 A 44 44 THR CA C 44 66.396 67.087 -0.691 1
1 510 . 7 1 1 A 44 44 THR CB C 44 69.069 69.043 0.026 1
1 512 . 7 1 1 A 44 44 THR N N 44 114.912 115.675 -0.763 1
1 513 . 7 1 1 A 45 45 LEU H H 45 7.862 9.736 -1.874 1
1 514 . 7 1 1 A 45 45 LEU HA H 45 3.584 4.014 -0.430 1
1 521 . 7 1 1 A 45 45 LEU C C 45 178.189 179.692 -1.503 1
1 522 . 7 1 1 A 45 45 LEU CA C 45 57.671 57.760 -0.089 1
1 523 . 7 1 1 A 45 45 LEU CB C 45 42.389 41.683 0.706 1
1 525 . 7 1 1 A 45 45 LEU N N 45 123.153 120.315 2.838 1
1 526 . 7 1 1 A 46 46 LYS H H 46 8.569 7.583 0.986 1
1 527 . 7 1 1 A 46 46 LYS HA H 46 3.587 4.068 -0.481 1
1 532 . 7 1 1 A 46 46 LYS C C 46 177.354 178.936 -1.582 1
1 533 . 7 1 1 A 46 46 LYS CA C 46 60.799 59.682 1.117 1
1 534 . 7 1 1 A 46 46 LYS CB C 46 30.790 32.037 -1.247 1
1 536 . 7 1 1 A 46 46 LYS N N 46 119.398 121.185 -1.787 1
1 537 . 7 1 1 A 47 47 ASP H H 47 7.694 8.173 -0.479 1
1 538 . 7 1 1 A 47 47 ASP HA H 47 4.325 4.409 -0.084 1
1 541 . 7 1 1 A 47 47 ASP C C 47 179.023 178.808 0.215 1
1 542 . 7 1 1 A 47 47 ASP CA C 47 57.107 56.836 0.271 1
1 543 . 7 1 1 A 47 47 ASP CB C 47 40.292 40.932 -0.640 1
1 544 . 7 1 1 A 47 47 ASP N N 47 116.887 119.618 -2.731 1
1 545 . 7 1 1 A 48 48 GLU H H 48 7.931 8.403 -0.472 1
1 546 . 7 1 1 A 48 48 GLU HA H 48 3.773 4.115 -0.342 1
1 551 . 7 1 1 A 48 48 GLU C C 48 179.125 178.605 0.520 1
1 552 . 7 1 1 A 48 48 GLU CA C 48 59.422 58.729 0.693 1
1 553 . 7 1 1 A 48 48 GLU CB C 48 29.598 29.483 0.115 1
1 555 . 7 1 1 A 48 48 GLU N N 48 121.719 118.876 2.843 1
1 556 . 7 1 1 A 49 49 ILE H H 49 8.553 8.665 -0.112 1
1 557 . 7 1 1 A 49 49 ILE HA H 49 3.424 3.278 0.146 1
1 565 . 7 1 1 A 49 49 ILE C C 49 178.262 177.101 1.161 1
1 566 . 7 1 1 A 49 49 ILE CA C 49 64.372 62.880 1.492 1
1 567 . 7 1 1 A 49 49 ILE CB C 49 38.278 37.168 1.110 1
1 571 . 7 1 1 A 49 49 ILE N N 49 120.672 120.189 0.483 1
1 572 . 7 1 1 A 50 50 LEU H H 50 7.831 7.505 0.326 1
1 573 . 7 1 1 A 50 50 LEU HA H 50 3.795 4.191 -0.396 1
1 580 . 7 1 1 A 50 50 LEU C C 50 178.247 178.986 -0.739 1
1 581 . 7 1 1 A 50 50 LEU CA C 50 57.039 57.503 -0.464 1
1 582 . 7 1 1 A 50 50 LEU CB C 50 41.815 42.154 -0.339 1
1 585 . 7 1 1 A 50 50 LEU N N 50 117.810 122.349 -4.539 1
1 586 . 7 1 1 A 51 51 THR H H 51 7.560 8.033 -0.473 1
1 587 . 7 1 1 A 51 51 THR HA H 51 4.066 3.964 0.102 1
1 592 . 7 1 1 A 51 51 THR C C 51 175.276 175.707 -0.431 1
1 593 . 7 1 1 A 51 51 THR CA C 51 63.281 66.506 -3.225 1
1 594 . 7 1 1 A 51 51 THR CB C 51 69.695 68.394 1.301 1
1 596 . 7 1 1 A 51 51 THR N N 51 110.196 115.637 -5.441 1
1 597 . 7 1 1 A 52 52 PHE H H 52 7.744 7.777 -0.033 1
1 598 . 7 1 1 A 52 52 PHE HA H 52 4.484 4.516 -0.032 1
1 605 . 7 1 1 A 52 52 PHE C C 52 176.549 175.169 1.380 1
1 606 . 7 1 1 A 52 52 PHE CA C 52 57.742 57.616 0.126 1
1 607 . 7 1 1 A 52 52 PHE CB C 52 37.819 39.337 -1.518 1
1 612 . 7 1 1 A 52 52 PHE N N 52 120.944 118.905 2.039 1
1 613 . 7 1 1 A 53 53 THR H H 53 8.028 7.872 0.156 1
1 614 . 7 1 1 A 53 53 THR HA H 53 4.085 4.386 -0.301 1
1 619 . 7 1 1 A 53 53 THR C C 53 174.471 174.403 0.068 1
1 620 . 7 1 1 A 53 53 THR CA C 53 62.330 60.927 1.403 1
1 621 . 7 1 1 A 53 53 THR CB C 53 69.725 69.323 0.402 1
1 623 . 7 1 1 A 53 53 THR N N 53 113.551 114.173 -0.622 1
1 624 . 7 1 1 A 54 54 VAL H H 54 7.827 7.769 0.058 1
1 625 . 7 1 1 A 54 54 VAL HA H 54 4.047 4.214 -0.167 1
1 630 . 7 1 1 A 54 54 VAL C C 54 176.067 175.471 0.596 1
1 631 . 7 1 1 A 54 54 VAL CA C 54 62.299 63.526 -1.227 1
1 632 . 7 1 1 A 54 54 VAL CB C 54 32.633 33.122 -0.489 1
1 634 . 7 1 1 A 54 54 VAL N N 54 122.128 123.193 -1.065 1
1 635 . 7 1 1 A 55 55 THR H H 55 8.233 7.982 0.251 1
1 636 . 7 1 1 A 55 55 THR HA H 55 4.212 4.179 0.033 1
1 640 . 7 1 1 A 55 55 THR C C 55 173.647 173.916 -0.269 1
1 641 . 7 1 1 A 55 55 THR CA C 55 61.620 63.968 -2.348 1
1 642 . 7 1 1 A 55 55 THR CB C 55 69.862 68.572 1.290 1
1 644 . 7 1 1 A 55 55 THR N N 55 118.471 114.529 3.942 1
1 3 . 8 1 1 A 2 2 THR H H 2 7.970 8.450 -0.480 1
1 4 . 8 1 1 A 2 2 THR HA H 2 4.183 4.311 -0.128 1
1 9 . 8 1 1 A 2 2 THR C C 2 173.875 174.807 -0.932 1
1 10 . 8 1 1 A 2 2 THR CA C 2 61.768 62.168 -0.400 1
1 11 . 8 1 1 A 2 2 THR CB C 2 69.631 70.289 -0.658 1
1 13 . 8 1 1 A 2 2 THR N N 2 128.423 112.468 15.955 1
1 14 . 8 1 1 A 3 3 TYR H H 3 8.247 8.158 0.089 1
1 15 . 8 1 1 A 3 3 TYR HA H 3 4.271 4.186 0.085 1
1 22 . 8 1 1 A 3 3 TYR C C 3 175.714 175.017 0.697 1
1 23 . 8 1 1 A 3 3 TYR CA C 3 58.145 58.970 -0.825 1
1 24 . 8 1 1 A 3 3 TYR CB C 3 38.753 36.186 2.567 1
1 27 . 8 1 1 A 3 3 TYR N N 3 123.871 122.464 1.407 1
1 28 . 8 1 1 A 4 4 LYS H H 4 8.009 7.545 0.464 1
1 29 . 8 1 1 A 4 4 LYS HA H 4 3.963 4.524 -0.561 1
1 36 . 8 1 1 A 4 4 LYS C C 4 175.979 174.331 1.648 1
1 37 . 8 1 1 A 4 4 LYS CA C 4 56.821 55.804 1.017 1
1 38 . 8 1 1 A 4 4 LYS CB C 4 32.981 32.429 0.552 1
1 40 . 8 1 1 A 4 4 LYS N N 4 122.309 120.540 1.769 1
1 41 . 8 1 1 A 5 5 LEU H H 5 7.918 8.698 -0.780 1
1 42 . 8 1 1 A 5 5 LEU HA H 5 4.151 4.933 -0.782 1
1 49 . 8 1 1 A 5 5 LEU C C 5 176.945 175.742 1.203 1
1 50 . 8 1 1 A 5 5 LEU CA C 5 55.320 53.070 2.250 1
1 51 . 8 1 1 A 5 5 LEU CB C 5 42.054 46.413 -4.359 1
1 55 . 8 1 1 A 5 5 LEU N N 5 121.830 124.475 -2.645 1
1 56 . 8 1 1 A 6 6 ILE H H 6 7.974 8.367 -0.393 1
1 57 . 8 1 1 A 6 6 ILE HA H 6 3.959 4.781 -0.822 1
1 67 . 8 1 1 A 6 6 ILE C C 6 176.110 176.010 0.100 1
1 68 . 8 1 1 A 6 6 ILE CA C 6 61.287 58.825 2.462 1
1 69 . 8 1 1 A 6 6 ILE CB C 6 38.228 40.591 -2.363 1
1 73 . 8 1 1 A 6 6 ILE N N 6 121.898 117.972 3.926 1
1 74 . 8 1 1 A 7 7 LEU H H 7 8.071 9.143 -1.072 1
1 75 . 8 1 1 A 7 7 LEU HA H 7 4.316 4.316 0.000 1
1 82 . 8 1 1 A 7 7 LEU C C 7 176.915 177.656 -0.741 1
1 83 . 8 1 1 A 7 7 LEU CA C 7 55.177 56.690 -1.513 1
1 84 . 8 1 1 A 7 7 LEU CB C 7 43.080 42.257 0.823 1
1 86 . 8 1 1 A 7 7 LEU N N 7 125.296 123.627 1.669 1
1 87 . 8 1 1 A 8 8 ASN H H 8 8.021 7.880 0.141 1
1 88 . 8 1 1 A 8 8 ASN HA H 8 4.570 4.929 -0.359 1
1 91 . 8 1 1 A 8 8 ASN C C 8 175.203 175.323 -0.120 1
1 92 . 8 1 1 A 8 8 ASN CA C 8 52.320 52.519 -0.199 1
1 93 . 8 1 1 A 8 8 ASN CB C 8 39.229 38.727 0.502 1
1 94 . 8 1 1 A 8 8 ASN N N 8 117.805 114.441 3.364 1
1 95 . 8 1 1 A 9 9 LEU H H 9 8.385 7.777 0.608 1
1 96 . 8 1 1 A 9 9 LEU HA H 9 3.718 4.168 -0.450 1
1 106 . 8 1 1 A 9 9 LEU C C 9 177.150 178.551 -1.401 1
1 107 . 8 1 1 A 9 9 LEU CA C 9 58.501 57.437 1.064 1
1 108 . 8 1 1 A 9 9 LEU CB C 9 42.085 42.136 -0.051 1
1 111 . 8 1 1 A 9 9 LEU N N 9 122.110 122.692 -0.582 1
1 112 . 8 1 1 A 10 10 LYS H H 10 8.027 8.106 -0.079 1
1 113 . 8 1 1 A 10 10 LYS HA H 10 3.824 3.853 -0.029 1
1 118 . 8 1 1 A 10 10 LYS C C 10 178.555 178.936 -0.381 1
1 119 . 8 1 1 A 10 10 LYS CA C 10 59.893 59.939 -0.046 1
1 120 . 8 1 1 A 10 10 LYS CB C 10 32.143 32.168 -0.025 1
1 123 . 8 1 1 A 10 10 LYS N N 10 118.739 118.794 -0.055 1
1 124 . 8 1 1 A 11 11 GLN H H 11 7.574 8.143 -0.569 1
1 125 . 8 1 1 A 11 11 GLN HA H 11 3.984 4.144 -0.160 1
1 130 . 8 1 1 A 11 11 GLN C C 11 175.218 178.395 -3.177 1
1 131 . 8 1 1 A 11 11 GLN CA C 11 59.252 58.437 0.815 1
1 132 . 8 1 1 A 11 11 GLN CB C 11 29.579 28.710 0.869 1
1 134 . 8 1 1 A 11 11 GLN N N 11 117.396 118.446 -1.050 1
1 135 . 8 1 1 A 12 12 ALA H H 12 8.432 8.080 0.352 1
1 136 . 8 1 1 A 12 12 ALA HA H 12 4.001 4.155 -0.154 1
1 140 . 8 1 1 A 12 12 ALA C C 12 179.374 180.193 -0.819 1
1 141 . 8 1 1 A 12 12 ALA CA C 12 55.373 55.040 0.333 1
1 142 . 8 1 1 A 12 12 ALA CB C 12 18.214 18.355 -0.141 1
1 143 . 8 1 1 A 12 12 ALA N N 12 122.547 122.895 -0.348 1
1 144 . 8 1 1 A 13 13 LYS H H 13 8.276 8.054 0.222 1
1 145 . 8 1 1 A 13 13 LYS HA H 13 3.404 4.148 -0.744 1
1 152 . 8 1 1 A 13 13 LYS C C 13 178.467 179.195 -0.728 1
1 153 . 8 1 1 A 13 13 LYS CA C 13 60.801 59.101 1.700 1
1 154 . 8 1 1 A 13 13 LYS CB C 13 33.111 32.257 0.854 1
1 157 . 8 1 1 A 13 13 LYS N N 13 116.459 117.294 -0.835 1
1 158 . 8 1 1 A 14 14 GLU H H 14 7.840 8.076 -0.236 1
1 159 . 8 1 1 A 14 14 GLU HA H 14 3.755 4.030 -0.275 1
1 164 . 8 1 1 A 14 14 GLU C C 14 177.720 179.210 -1.490 1
1 165 . 8 1 1 A 14 14 GLU CA C 14 59.737 59.539 0.198 1
1 166 . 8 1 1 A 14 14 GLU CB C 14 29.453 29.193 0.260 1
1 168 . 8 1 1 A 14 14 GLU N N 14 116.581 119.821 -3.240 1
1 169 . 8 1 1 A 15 15 GLU H H 15 8.269 8.666 -0.397 1
1 170 . 8 1 1 A 15 15 GLU HA H 15 3.961 4.072 -0.111 1
1 175 . 8 1 1 A 15 15 GLU C C 15 178.438 178.686 -0.248 1
1 176 . 8 1 1 A 15 15 GLU CA C 15 58.383 59.317 -0.934 1
1 177 . 8 1 1 A 15 15 GLU CB C 15 28.994 29.191 -0.197 1
1 179 . 8 1 1 A 15 15 GLU N N 15 115.657 120.306 -4.649 1
1 180 . 8 1 1 A 16 16 ALA H H 16 8.500 7.674 0.826 1
1 181 . 8 1 1 A 16 16 ALA HA H 16 3.939 4.069 -0.130 1
1 185 . 8 1 1 A 16 16 ALA C C 16 179.330 180.073 -0.743 1
1 186 . 8 1 1 A 16 16 ALA CA C 16 55.401 55.069 0.332 1
1 187 . 8 1 1 A 16 16 ALA CB C 16 18.980 18.474 0.506 1
1 188 . 8 1 1 A 16 16 ALA N N 16 122.087 121.838 0.249 1
1 189 . 8 1 1 A 17 17 ILE H H 17 8.598 8.310 0.288 1
1 190 . 8 1 1 A 17 17 ILE HA H 17 3.334 3.635 -0.301 1
1 195 . 8 1 1 A 17 17 ILE C C 17 177.120 178.015 -0.895 1
1 196 . 8 1 1 A 17 17 ILE CA C 17 66.876 65.525 1.351 1
1 197 . 8 1 1 A 17 17 ILE CB C 17 37.817 37.972 -0.155 1
1 200 . 8 1 1 A 17 17 ILE N N 17 117.395 118.846 -1.451 1
1 201 . 8 1 1 A 18 18 LYS H H 18 7.633 7.663 -0.030 1
1 202 . 8 1 1 A 18 18 LYS HA H 18 3.748 3.939 -0.191 1
1 209 . 8 1 1 A 18 18 LYS C C 18 179.199 179.810 -0.611 1
1 210 . 8 1 1 A 18 18 LYS CA C 18 60.001 60.017 -0.016 1
1 211 . 8 1 1 A 18 18 LYS CB C 18 32.538 32.054 0.484 1
1 213 . 8 1 1 A 18 18 LYS N N 18 119.143 118.807 0.336 1
1 214 . 8 1 1 A 19 19 GLU H H 19 8.192 7.940 0.252 1
1 215 . 8 1 1 A 19 19 GLU HA H 19 3.942 4.064 -0.122 1
1 220 . 8 1 1 A 19 19 GLU C C 19 179.813 178.820 0.993 1
1 221 . 8 1 1 A 19 19 GLU CA C 19 59.577 59.171 0.406 1
1 222 . 8 1 1 A 19 19 GLU CB C 19 29.756 29.481 0.275 1
1 224 . 8 1 1 A 19 19 GLU N N 19 118.201 119.798 -1.597 1
1 225 . 8 1 1 A 20 20 LEU H H 20 8.128 7.828 0.300 1
1 226 . 8 1 1 A 20 20 LEU HA H 20 3.877 4.159 -0.282 1
1 233 . 8 1 1 A 20 20 LEU C C 20 178.906 178.945 -0.039 1
1 234 . 8 1 1 A 20 20 LEU CA C 20 58.171 57.462 0.709 1
1 235 . 8 1 1 A 20 20 LEU CB C 20 41.496 41.703 -0.207 1
1 238 . 8 1 1 A 20 20 LEU N N 20 119.841 121.601 -1.760 1
1 239 . 8 1 1 A 21 21 VAL H H 21 9.063 8.575 0.488 1
1 240 . 8 1 1 A 21 21 VAL HA H 21 3.608 3.577 0.031 1
1 245 . 8 1 1 A 21 21 VAL C C 21 176.301 177.406 -1.105 1
1 246 . 8 1 1 A 21 21 VAL CA C 21 66.684 67.085 -0.401 1
1 247 . 8 1 1 A 21 21 VAL CB C 21 31.879 31.365 0.514 1
1 249 . 8 1 1 A 21 21 VAL N N 21 122.114 119.178 2.936 1
1 250 . 8 1 1 A 22 22 ASP H H 22 8.427 8.002 0.425 1
1 251 . 8 1 1 A 22 22 ASP HA H 22 4.276 4.506 -0.230 1
1 254 . 8 1 1 A 22 22 ASP C C 22 177.428 177.781 -0.353 1
1 255 . 8 1 1 A 22 22 ASP CA C 22 57.143 56.705 0.438 1
1 256 . 8 1 1 A 22 22 ASP CB C 22 40.015 41.109 -1.094 1
1 257 . 8 1 1 A 22 22 ASP N N 22 122.544 120.831 1.713 1
1 258 . 8 1 1 A 23 23 ALA H H 23 7.451 7.752 -0.301 1
1 259 . 8 1 1 A 23 23 ALA HA H 23 4.284 4.291 -0.007 1
1 263 . 8 1 1 A 23 23 ALA C C 23 177.647 177.868 -0.221 1
1 264 . 8 1 1 A 23 23 ALA CA C 23 52.140 52.124 0.016 1
1 265 . 8 1 1 A 23 23 ALA CB C 23 19.094 19.702 -0.608 1
1 266 . 8 1 1 A 23 23 ALA N N 23 119.690 119.063 0.627 1
1 267 . 8 1 1 A 24 24 GLY H H 24 8.007 8.473 -0.466 1
1 268 . 8 1 1 A 24 24 GLY HA2 H 24 3.930 3.885 0.045 1
1 269 . 8 1 1 A 24 24 GLY HA3 H 24 3.786 3.900 -0.114 1
1 270 . 8 1 1 A 24 24 GLY C C 24 174.852 173.641 1.211 1
1 271 . 8 1 1 A 24 24 GLY CA C 24 45.939 46.972 -1.033 1
1 272 . 8 1 1 A 24 24 GLY N N 24 107.876 107.366 0.510 1
1 273 . 8 1 1 A 25 25 ILE H H 25 7.628 7.697 -0.069 1
1 274 . 8 1 1 A 25 25 ILE HA H 25 3.880 4.582 -0.702 1
1 281 . 8 1 1 A 25 25 ILE C C 25 174.954 174.686 0.268 1
1 282 . 8 1 1 A 25 25 ILE CA C 25 58.787 59.568 -0.781 1
1 283 . 8 1 1 A 25 25 ILE CB C 25 36.014 40.761 -4.747 1
1 286 . 8 1 1 A 25 25 ILE N N 25 121.226 115.979 5.247 1
1 287 . 8 1 1 A 26 26 ALA H H 26 8.454 8.906 -0.452 1
1 288 . 8 1 1 A 26 26 ALA HA H 26 4.164 3.929 0.235 1
1 292 . 8 1 1 A 26 26 ALA C C 26 178.921 177.275 1.646 1
1 293 . 8 1 1 A 26 26 ALA CA C 26 52.978 52.958 0.020 1
1 294 . 8 1 1 A 26 26 ALA CB C 26 19.648 17.496 2.152 1
1 295 . 8 1 1 A 26 26 ALA N N 26 127.062 124.561 2.501 1
1 296 . 8 1 1 A 27 27 GLU H H 27 8.652 8.169 0.483 1
1 297 . 8 1 1 A 27 27 GLU HA H 27 3.728 4.086 -0.358 1
1 302 . 8 1 1 A 27 27 GLU C C 27 179.886 178.892 0.994 1
1 303 . 8 1 1 A 27 27 GLU CA C 27 59.830 59.388 0.442 1
1 304 . 8 1 1 A 27 27 GLU CB C 27 29.682 29.320 0.362 1
1 306 . 8 1 1 A 27 27 GLU N N 27 122.104 124.569 -2.465 1
1 307 . 8 1 1 A 28 28 LYS H H 28 8.315 8.161 0.154 1
1 308 . 8 1 1 A 28 28 LYS HA H 28 3.789 4.009 -0.220 1
1 315 . 8 1 1 A 28 28 LYS C C 28 177.179 178.779 -1.600 1
1 316 . 8 1 1 A 28 28 LYS CA C 28 58.673 59.366 -0.693 1
1 317 . 8 1 1 A 28 28 LYS CB C 28 31.279 32.020 -0.741 1
1 320 . 8 1 1 A 28 28 LYS N N 28 119.368 120.738 -1.370 1
1 321 . 8 1 1 A 29 29 TYR H H 29 7.372 7.853 -0.481 1
1 322 . 8 1 1 A 29 29 TYR HA H 29 4.448 4.352 0.096 1
1 329 . 8 1 1 A 29 29 TYR C C 29 177.413 178.440 -1.027 1
1 330 . 8 1 1 A 29 29 TYR CA C 29 59.246 61.218 -1.972 1
1 331 . 8 1 1 A 29 29 TYR CB C 29 38.528 37.586 0.942 1
1 336 . 8 1 1 A 29 29 TYR N N 29 116.907 118.844 -1.937 1
1 337 . 8 1 1 A 30 30 ILE H H 30 7.448 8.499 -1.051 1
1 338 . 8 1 1 A 30 30 ILE HA H 30 3.359 3.953 -0.594 1
1 345 . 8 1 1 A 30 30 ILE C C 30 177.662 177.709 -0.047 1
1 346 . 8 1 1 A 30 30 ILE CA C 30 65.541 63.402 2.139 1
1 347 . 8 1 1 A 30 30 ILE CB C 30 37.362 37.727 -0.365 1
1 350 . 8 1 1 A 30 30 ILE N N 30 120.953 120.870 0.083 1
1 351 . 8 1 1 A 31 31 LYS H H 31 7.835 8.065 -0.230 1
1 352 . 8 1 1 A 31 31 LYS HA H 31 3.831 4.059 -0.228 1
1 357 . 8 1 1 A 31 31 LYS C C 31 178.218 179.224 -1.006 1
1 358 . 8 1 1 A 31 31 LYS CA C 31 58.702 59.138 -0.436 1
1 359 . 8 1 1 A 31 31 LYS CB C 31 32.198 31.998 0.200 1
1 363 . 8 1 1 A 31 31 LYS N N 31 116.536 122.154 -5.618 1
1 364 . 8 1 1 A 32 32 LEU H H 32 7.335 7.826 -0.491 1
1 365 . 8 1 1 A 32 32 LEU HA H 32 3.905 3.943 -0.038 1
1 372 . 8 1 1 A 32 32 LEU C C 32 179.901 179.259 0.642 1
1 373 . 8 1 1 A 32 32 LEU CA C 32 57.366 57.878 -0.512 1
1 374 . 8 1 1 A 32 32 LEU CB C 32 41.550 41.451 0.099 1
1 377 . 8 1 1 A 32 32 LEU N N 32 117.191 119.064 -1.873 1
1 378 . 8 1 1 A 33 33 ILE H H 33 7.409 7.461 -0.052 1
1 379 . 8 1 1 A 33 33 ILE HA H 33 3.522 4.013 -0.491 1
1 389 . 8 1 1 A 33 33 ILE C C 33 177.354 178.275 -0.921 1
1 390 . 8 1 1 A 33 33 ILE CA C 33 62.128 63.539 -1.411 1
1 391 . 8 1 1 A 33 33 ILE CB C 33 35.578 37.892 -2.314 1
1 395 . 8 1 1 A 33 33 ILE N N 33 117.873 115.072 2.801 1
1 396 . 8 1 1 A 34 34 ALA H H 34 7.615 8.835 -1.220 1
1 397 . 8 1 1 A 34 34 ALA HA H 34 3.774 4.051 -0.277 1
1 401 . 8 1 1 A 34 34 ALA C C 34 178.789 179.833 -1.044 1
1 402 . 8 1 1 A 34 34 ALA CA C 34 54.717 54.802 -0.085 1
1 403 . 8 1 1 A 34 34 ALA CB C 34 18.384 18.522 -0.138 1
1 404 . 8 1 1 A 34 34 ALA N N 34 119.178 124.235 -5.057 1
1 405 . 8 1 1 A 35 35 ASN H H 35 7.354 8.045 -0.691 1
1 406 . 8 1 1 A 35 35 ASN HA H 35 4.572 4.699 -0.127 1
1 409 . 8 1 1 A 35 35 ASN C C 35 175.482 175.034 0.448 1
1 410 . 8 1 1 A 35 35 ASN CA C 35 52.835 53.267 -0.432 1
1 411 . 8 1 1 A 35 35 ASN CB C 35 39.178 39.053 0.125 1
1 412 . 8 1 1 A 35 35 ASN N N 35 113.033 116.163 -3.130 1
1 413 . 8 1 1 A 36 36 ALA H H 36 7.439 7.995 -0.556 1
1 414 . 8 1 1 A 36 36 ALA HA H 36 4.078 4.058 0.020 1
1 418 . 8 1 1 A 36 36 ALA C C 36 177.852 177.041 0.811 1
1 419 . 8 1 1 A 36 36 ALA CA C 36 53.179 54.313 -1.134 1
1 420 . 8 1 1 A 36 36 ALA CB C 36 19.460 17.995 1.465 1
1 421 . 8 1 1 A 36 36 ALA N N 36 123.843 120.294 3.549 1
1 422 . 8 1 1 A 37 37 LYS H H 37 8.739 8.561 0.178 1
1 423 . 8 1 1 A 37 37 LYS HA H 37 4.238 4.357 -0.119 1
1 428 . 8 1 1 A 37 37 LYS C C 37 176.652 175.206 1.446 1
1 429 . 8 1 1 A 37 37 LYS CA C 37 56.659 57.696 -1.037 1
1 430 . 8 1 1 A 37 37 LYS CB C 37 34.979 34.047 0.932 1
1 434 . 8 1 1 A 37 37 LYS N N 37 117.112 118.449 -1.337 1
1 435 . 8 1 1 A 38 38 THR H H 38 7.340 7.659 -0.319 1
1 436 . 8 1 1 A 38 38 THR HA H 38 4.515 4.599 -0.084 1
1 440 . 8 1 1 A 38 38 THR C C 38 173.974 174.716 -0.742 1
1 441 . 8 1 1 A 38 38 THR CA C 38 58.511 60.684 -2.173 1
1 442 . 8 1 1 A 38 38 THR CB C 38 72.797 70.107 2.690 1
1 444 . 8 1 1 A 38 38 THR N N 38 106.407 110.138 -3.731 1
1 445 . 8 1 1 A 39 39 VAL H H 39 8.886 8.699 0.187 1
1 446 . 8 1 1 A 39 39 VAL HA H 39 2.956 3.879 -0.923 1
1 451 . 8 1 1 A 39 39 VAL C C 39 176.754 177.211 -0.457 1
1 452 . 8 1 1 A 39 39 VAL CA C 39 67.409 65.278 2.131 1
1 453 . 8 1 1 A 39 39 VAL CB C 39 30.821 31.920 -1.099 1
1 455 . 8 1 1 A 39 39 VAL N N 39 122.964 124.625 -1.661 1
1 456 . 8 1 1 A 40 40 GLU H H 40 8.839 8.370 0.469 1
1 457 . 8 1 1 A 40 40 GLU HA H 40 3.865 4.159 -0.294 1
1 462 . 8 1 1 A 40 40 GLU C C 40 179.345 179.900 -0.555 1
1 463 . 8 1 1 A 40 40 GLU CA C 40 60.003 59.527 0.476 1
1 464 . 8 1 1 A 40 40 GLU CB C 40 28.676 29.047 -0.371 1
1 466 . 8 1 1 A 40 40 GLU N N 40 117.880 121.808 -3.928 1
1 467 . 8 1 1 A 41 41 GLY H H 41 8.095 8.423 -0.328 1
1 468 . 8 1 1 A 41 41 GLY HA2 H 41 3.931 3.761 0.170 1
1 469 . 8 1 1 A 41 41 GLY HA3 H 41 3.730 3.787 -0.057 1
1 470 . 8 1 1 A 41 41 GLY C C 41 176.271 175.697 0.574 1
1 471 . 8 1 1 A 41 41 GLY CA C 41 46.388 47.694 -1.306 1
1 472 . 8 1 1 A 41 41 GLY N N 41 108.686 109.201 -0.515 1
1 473 . 8 1 1 A 42 42 VAL H H 42 7.772 8.954 -1.182 1
1 474 . 8 1 1 A 42 42 VAL HA H 42 3.087 3.779 -0.692 1
1 479 . 8 1 1 A 42 42 VAL C C 42 177.003 177.985 -0.982 1
1 480 . 8 1 1 A 42 42 VAL CA C 42 67.068 65.657 1.411 1
1 481 . 8 1 1 A 42 42 VAL CB C 42 30.987 31.630 -0.643 1
1 483 . 8 1 1 A 42 42 VAL N N 42 123.069 121.947 1.122 1
1 484 . 8 1 1 A 43 43 TRP H H 43 7.518 7.578 -0.060 1
1 485 . 8 1 1 A 43 43 TRP HA H 43 4.469 4.391 0.078 1
1 493 . 8 1 1 A 43 43 TRP C C 43 179.023 178.241 0.782 1
1 494 . 8 1 1 A 43 43 TRP CA C 43 59.134 59.915 -0.781 1
1 495 . 8 1 1 A 43 43 TRP CB C 43 29.437 29.735 -0.298 1
1 500 . 8 1 1 A 43 43 TRP N N 43 118.322 121.391 -3.069 1
1 502 . 8 1 1 A 44 44 THR H H 44 8.408 8.263 0.145 1
1 503 . 8 1 1 A 44 44 THR HA H 44 3.971 4.085 -0.114 1
1 508 . 8 1 1 A 44 44 THR C C 44 177.047 176.466 0.581 1
1 509 . 8 1 1 A 44 44 THR CA C 44 66.396 67.022 -0.626 1
1 510 . 8 1 1 A 44 44 THR CB C 44 69.069 68.997 0.072 1
1 512 . 8 1 1 A 44 44 THR N N 44 114.912 115.635 -0.723 1
1 513 . 8 1 1 A 45 45 LEU H H 45 7.862 9.672 -1.810 1
1 514 . 8 1 1 A 45 45 LEU HA H 45 3.584 4.023 -0.439 1
1 521 . 8 1 1 A 45 45 LEU C C 45 178.189 179.697 -1.508 1
1 522 . 8 1 1 A 45 45 LEU CA C 45 57.671 57.828 -0.157 1
1 523 . 8 1 1 A 45 45 LEU CB C 45 42.389 41.306 1.083 1
1 525 . 8 1 1 A 45 45 LEU N N 45 123.153 120.820 2.333 1
1 526 . 8 1 1 A 46 46 LYS H H 46 8.569 7.563 1.006 1
1 527 . 8 1 1 A 46 46 LYS HA H 46 3.587 4.078 -0.491 1
1 532 . 8 1 1 A 46 46 LYS C C 46 177.354 178.587 -1.233 1
1 533 . 8 1 1 A 46 46 LYS CA C 46 60.799 59.634 1.165 1
1 534 . 8 1 1 A 46 46 LYS CB C 46 30.790 32.003 -1.213 1
1 536 . 8 1 1 A 46 46 LYS N N 46 119.398 120.975 -1.577 1
1 537 . 8 1 1 A 47 47 ASP H H 47 7.694 8.015 -0.321 1
1 538 . 8 1 1 A 47 47 ASP HA H 47 4.325 4.200 0.125 1
1 541 . 8 1 1 A 47 47 ASP C C 47 179.023 178.747 0.276 1
1 542 . 8 1 1 A 47 47 ASP CA C 47 57.107 57.217 -0.110 1
1 543 . 8 1 1 A 47 47 ASP CB C 47 40.292 41.220 -0.928 1
1 544 . 8 1 1 A 47 47 ASP N N 47 116.887 118.947 -2.060 1
1 545 . 8 1 1 A 48 48 GLU H H 48 7.931 8.078 -0.147 1
1 546 . 8 1 1 A 48 48 GLU HA H 48 3.773 4.071 -0.298 1
1 551 . 8 1 1 A 48 48 GLU C C 48 179.125 178.432 0.693 1
1 552 . 8 1 1 A 48 48 GLU CA C 48 59.422 58.691 0.731 1
1 553 . 8 1 1 A 48 48 GLU CB C 48 29.598 29.476 0.122 1
1 555 . 8 1 1 A 48 48 GLU N N 48 121.719 119.306 2.413 1
1 556 . 8 1 1 A 49 49 ILE H H 49 8.553 8.681 -0.128 1
1 557 . 8 1 1 A 49 49 ILE HA H 49 3.424 3.551 -0.127 1
1 565 . 8 1 1 A 49 49 ILE C C 49 178.262 177.182 1.080 1
1 566 . 8 1 1 A 49 49 ILE CA C 49 64.372 62.908 1.464 1
1 567 . 8 1 1 A 49 49 ILE CB C 49 38.278 37.352 0.926 1
1 571 . 8 1 1 A 49 49 ILE N N 49 120.672 120.225 0.447 1
1 572 . 8 1 1 A 50 50 LEU H H 50 7.831 7.443 0.388 1
1 573 . 8 1 1 A 50 50 LEU HA H 50 3.795 4.126 -0.331 1
1 580 . 8 1 1 A 50 50 LEU C C 50 178.247 178.986 -0.739 1
1 581 . 8 1 1 A 50 50 LEU CA C 50 57.039 57.019 0.020 1
1 582 . 8 1 1 A 50 50 LEU CB C 50 41.815 41.941 -0.126 1
1 585 . 8 1 1 A 50 50 LEU N N 50 117.810 122.129 -4.319 1
1 586 . 8 1 1 A 51 51 THR H H 51 7.560 8.120 -0.560 1
1 587 . 8 1 1 A 51 51 THR HA H 51 4.066 3.906 0.160 1
1 592 . 8 1 1 A 51 51 THR C C 51 175.276 175.353 -0.077 1
1 593 . 8 1 1 A 51 51 THR CA C 51 63.281 65.903 -2.622 1
1 594 . 8 1 1 A 51 51 THR CB C 51 69.695 68.448 1.247 1
1 596 . 8 1 1 A 51 51 THR N N 51 110.196 115.506 -5.310 1
1 597 . 8 1 1 A 52 52 PHE H H 52 7.744 7.788 -0.044 1
1 598 . 8 1 1 A 52 52 PHE HA H 52 4.484 4.501 -0.017 1
1 605 . 8 1 1 A 52 52 PHE C C 52 176.549 175.459 1.090 1
1 606 . 8 1 1 A 52 52 PHE CA C 52 57.742 58.164 -0.422 1
1 607 . 8 1 1 A 52 52 PHE CB C 52 37.819 39.090 -1.271 1
1 612 . 8 1 1 A 52 52 PHE N N 52 120.944 119.616 1.328 1
1 613 . 8 1 1 A 53 53 THR H H 53 8.028 7.253 0.775 1
1 614 . 8 1 1 A 53 53 THR HA H 53 4.085 4.384 -0.299 1
1 619 . 8 1 1 A 53 53 THR C C 53 174.471 173.064 1.407 1
1 620 . 8 1 1 A 53 53 THR CA C 53 62.330 60.717 1.613 1
1 621 . 8 1 1 A 53 53 THR CB C 53 69.725 68.634 1.091 1
1 623 . 8 1 1 A 53 53 THR N N 53 113.551 114.127 -0.576 1
1 624 . 8 1 1 A 54 54 VAL H H 54 7.827 8.301 -0.474 1
1 625 . 8 1 1 A 54 54 VAL HA H 54 4.047 4.201 -0.154 1
1 630 . 8 1 1 A 54 54 VAL C C 54 176.067 175.551 0.516 1
1 631 . 8 1 1 A 54 54 VAL CA C 54 62.299 62.828 -0.529 1
1 632 . 8 1 1 A 54 54 VAL CB C 54 32.633 32.532 0.101 1
1 634 . 8 1 1 A 54 54 VAL N N 54 122.128 119.387 2.741 1
1 635 . 8 1 1 A 55 55 THR H H 55 8.233 7.938 0.295 1
1 636 . 8 1 1 A 55 55 THR HA H 55 4.212 4.420 -0.208 1
1 640 . 8 1 1 A 55 55 THR C C 55 173.647 173.580 0.067 1
1 641 . 8 1 1 A 55 55 THR CA C 55 61.620 63.257 -1.637 1
1 642 . 8 1 1 A 55 55 THR CB C 55 69.862 67.662 2.200 1
1 644 . 8 1 1 A 55 55 THR N N 55 118.471 112.596 5.875 1
1 3 . 9 1 1 A 2 2 THR H H 2 7.970 7.685 0.285 1
1 4 . 9 1 1 A 2 2 THR HA H 2 4.183 4.576 -0.393 1
1 9 . 9 1 1 A 2 2 THR C C 2 173.875 173.366 0.509 1
1 10 . 9 1 1 A 2 2 THR CA C 2 61.768 59.793 1.975 1
1 11 . 9 1 1 A 2 2 THR CB C 2 69.631 71.969 -2.338 1
1 13 . 9 1 1 A 2 2 THR N N 2 128.423 112.481 15.942 1
1 14 . 9 1 1 A 3 3 TYR H H 3 8.247 7.942 0.305 1
1 15 . 9 1 1 A 3 3 TYR HA H 3 4.271 4.786 -0.515 1
1 22 . 9 1 1 A 3 3 TYR C C 3 175.714 176.074 -0.360 1
1 23 . 9 1 1 A 3 3 TYR CA C 3 58.145 57.682 0.463 1
1 24 . 9 1 1 A 3 3 TYR CB C 3 38.753 40.178 -1.425 1
1 27 . 9 1 1 A 3 3 TYR N N 3 123.871 120.912 2.959 1
1 28 . 9 1 1 A 4 4 LYS H H 4 8.009 7.567 0.442 1
1 29 . 9 1 1 A 4 4 LYS HA H 4 3.963 3.842 0.121 1
1 36 . 9 1 1 A 4 4 LYS C C 4 175.979 176.709 -0.730 1
1 37 . 9 1 1 A 4 4 LYS CA C 4 56.821 57.131 -0.310 1
1 38 . 9 1 1 A 4 4 LYS CB C 4 32.981 30.927 2.054 1
1 40 . 9 1 1 A 4 4 LYS N N 4 122.309 119.788 2.521 1
1 41 . 9 1 1 A 5 5 LEU H H 5 7.918 8.282 -0.364 1
1 42 . 9 1 1 A 5 5 LEU HA H 5 4.151 4.607 -0.456 1
1 49 . 9 1 1 A 5 5 LEU C C 5 176.945 175.924 1.021 1
1 50 . 9 1 1 A 5 5 LEU CA C 5 55.320 55.860 -0.540 1
1 51 . 9 1 1 A 5 5 LEU CB C 5 42.054 44.788 -2.734 1
1 55 . 9 1 1 A 5 5 LEU N N 5 121.830 117.083 4.747 1
1 56 . 9 1 1 A 6 6 ILE H H 6 7.974 8.297 -0.323 1
1 57 . 9 1 1 A 6 6 ILE HA H 6 3.959 4.479 -0.520 1
1 67 . 9 1 1 A 6 6 ILE C C 6 176.110 175.808 0.302 1
1 68 . 9 1 1 A 6 6 ILE CA C 6 61.287 60.134 1.153 1
1 69 . 9 1 1 A 6 6 ILE CB C 6 38.228 39.920 -1.692 1
1 73 . 9 1 1 A 6 6 ILE N N 6 121.898 116.781 5.117 1
1 74 . 9 1 1 A 7 7 LEU H H 7 8.071 8.672 -0.601 1
1 75 . 9 1 1 A 7 7 LEU HA H 7 4.316 4.121 0.195 1
1 82 . 9 1 1 A 7 7 LEU C C 7 176.915 175.191 1.724 1
1 83 . 9 1 1 A 7 7 LEU CA C 7 55.177 57.156 -1.979 1
1 84 . 9 1 1 A 7 7 LEU CB C 7 43.080 40.895 2.185 1
1 86 . 9 1 1 A 7 7 LEU N N 7 125.296 123.729 1.567 1
1 87 . 9 1 1 A 8 8 ASN H H 8 8.021 8.417 -0.396 1
1 88 . 9 1 1 A 8 8 ASN HA H 8 4.570 5.015 -0.445 1
1 91 . 9 1 1 A 8 8 ASN C C 8 175.203 175.318 -0.115 1
1 92 . 9 1 1 A 8 8 ASN CA C 8 52.320 52.585 -0.265 1
1 93 . 9 1 1 A 8 8 ASN CB C 8 39.229 38.427 0.802 1
1 94 . 9 1 1 A 8 8 ASN N N 8 117.805 118.518 -0.713 1
1 95 . 9 1 1 A 9 9 LEU H H 9 8.385 7.794 0.591 1
1 96 . 9 1 1 A 9 9 LEU HA H 9 3.718 4.105 -0.387 1
1 106 . 9 1 1 A 9 9 LEU C C 9 177.150 178.717 -1.567 1
1 107 . 9 1 1 A 9 9 LEU CA C 9 58.501 57.911 0.590 1
1 108 . 9 1 1 A 9 9 LEU CB C 9 42.085 41.533 0.552 1
1 111 . 9 1 1 A 9 9 LEU N N 9 122.110 123.292 -1.182 1
1 112 . 9 1 1 A 10 10 LYS H H 10 8.027 8.140 -0.113 1
1 113 . 9 1 1 A 10 10 LYS HA H 10 3.824 3.836 -0.012 1
1 118 . 9 1 1 A 10 10 LYS C C 10 178.555 178.915 -0.360 1
1 119 . 9 1 1 A 10 10 LYS CA C 10 59.893 60.255 -0.362 1
1 120 . 9 1 1 A 10 10 LYS CB C 10 32.143 32.152 -0.009 1
1 123 . 9 1 1 A 10 10 LYS N N 10 118.739 118.866 -0.127 1
1 124 . 9 1 1 A 11 11 GLN H H 11 7.574 7.993 -0.419 1
1 125 . 9 1 1 A 11 11 GLN HA H 11 3.984 4.195 -0.211 1
1 130 . 9 1 1 A 11 11 GLN C C 11 175.218 178.408 -3.190 1
1 131 . 9 1 1 A 11 11 GLN CA C 11 59.252 58.672 0.580 1
1 132 . 9 1 1 A 11 11 GLN CB C 11 29.579 28.340 1.239 1
1 134 . 9 1 1 A 11 11 GLN N N 11 117.396 119.219 -1.823 1
1 135 . 9 1 1 A 12 12 ALA H H 12 8.432 8.082 0.350 1
1 136 . 9 1 1 A 12 12 ALA HA H 12 4.001 4.319 -0.318 1
1 140 . 9 1 1 A 12 12 ALA C C 12 179.374 180.201 -0.827 1
1 141 . 9 1 1 A 12 12 ALA CA C 12 55.373 55.252 0.121 1
1 142 . 9 1 1 A 12 12 ALA CB C 12 18.214 18.467 -0.253 1
1 143 . 9 1 1 A 12 12 ALA N N 12 122.547 123.008 -0.461 1
1 144 . 9 1 1 A 13 13 LYS H H 13 8.276 8.111 0.165 1
1 145 . 9 1 1 A 13 13 LYS HA H 13 3.404 4.161 -0.757 1
1 152 . 9 1 1 A 13 13 LYS C C 13 178.467 178.840 -0.373 1
1 153 . 9 1 1 A 13 13 LYS CA C 13 60.801 59.138 1.663 1
1 154 . 9 1 1 A 13 13 LYS CB C 13 33.111 32.310 0.801 1
1 157 . 9 1 1 A 13 13 LYS N N 13 116.459 117.226 -0.767 1
1 158 . 9 1 1 A 14 14 GLU H H 14 7.840 7.945 -0.105 1
1 159 . 9 1 1 A 14 14 GLU HA H 14 3.755 4.060 -0.305 1
1 164 . 9 1 1 A 14 14 GLU C C 14 177.720 178.189 -0.469 1
1 165 . 9 1 1 A 14 14 GLU CA C 14 59.737 59.571 0.166 1
1 166 . 9 1 1 A 14 14 GLU CB C 14 29.453 29.334 0.119 1
1 168 . 9 1 1 A 14 14 GLU N N 14 116.581 119.954 -3.373 1
1 169 . 9 1 1 A 15 15 GLU H H 15 8.269 8.513 -0.244 1
1 170 . 9 1 1 A 15 15 GLU HA H 15 3.961 4.095 -0.134 1
1 175 . 9 1 1 A 15 15 GLU C C 15 178.438 178.583 -0.145 1
1 176 . 9 1 1 A 15 15 GLU CA C 15 58.383 59.368 -0.985 1
1 177 . 9 1 1 A 15 15 GLU CB C 15 28.994 29.363 -0.369 1
1 179 . 9 1 1 A 15 15 GLU N N 15 115.657 119.598 -3.941 1
1 180 . 9 1 1 A 16 16 ALA H H 16 8.500 7.714 0.786 1
1 181 . 9 1 1 A 16 16 ALA HA H 16 3.939 4.059 -0.120 1
1 185 . 9 1 1 A 16 16 ALA C C 16 179.330 179.973 -0.643 1
1 186 . 9 1 1 A 16 16 ALA CA C 16 55.401 55.050 0.351 1
1 187 . 9 1 1 A 16 16 ALA CB C 16 18.980 18.558 0.422 1
1 188 . 9 1 1 A 16 16 ALA N N 16 122.087 121.650 0.437 1
1 189 . 9 1 1 A 17 17 ILE H H 17 8.598 8.299 0.299 1
1 190 . 9 1 1 A 17 17 ILE HA H 17 3.334 3.621 -0.287 1
1 195 . 9 1 1 A 17 17 ILE C C 17 177.120 177.787 -0.667 1
1 196 . 9 1 1 A 17 17 ILE CA C 17 66.876 65.648 1.228 1
1 197 . 9 1 1 A 17 17 ILE CB C 17 37.817 37.834 -0.017 1
1 200 . 9 1 1 A 17 17 ILE N N 17 117.395 118.968 -1.573 1
1 201 . 9 1 1 A 18 18 LYS H H 18 7.633 7.743 -0.110 1
1 202 . 9 1 1 A 18 18 LYS HA H 18 3.748 3.988 -0.240 1
1 209 . 9 1 1 A 18 18 LYS C C 18 179.199 179.717 -0.518 1
1 210 . 9 1 1 A 18 18 LYS CA C 18 60.001 59.900 0.101 1
1 211 . 9 1 1 A 18 18 LYS CB C 18 32.538 31.961 0.577 1
1 213 . 9 1 1 A 18 18 LYS N N 18 119.143 118.786 0.357 1
1 214 . 9 1 1 A 19 19 GLU H H 19 8.192 8.015 0.177 1
1 215 . 9 1 1 A 19 19 GLU HA H 19 3.942 4.008 -0.066 1
1 220 . 9 1 1 A 19 19 GLU C C 19 179.813 178.866 0.947 1
1 221 . 9 1 1 A 19 19 GLU CA C 19 59.577 59.145 0.432 1
1 222 . 9 1 1 A 19 19 GLU CB C 19 29.756 29.474 0.282 1
1 224 . 9 1 1 A 19 19 GLU N N 19 118.201 119.961 -1.760 1
1 225 . 9 1 1 A 20 20 LEU H H 20 8.128 7.634 0.494 1
1 226 . 9 1 1 A 20 20 LEU HA H 20 3.877 4.148 -0.271 1
1 233 . 9 1 1 A 20 20 LEU C C 20 178.906 178.742 0.164 1
1 234 . 9 1 1 A 20 20 LEU CA C 20 58.171 57.556 0.615 1
1 235 . 9 1 1 A 20 20 LEU CB C 20 41.496 41.958 -0.462 1
1 238 . 9 1 1 A 20 20 LEU N N 20 119.841 121.499 -1.658 1
1 239 . 9 1 1 A 21 21 VAL H H 21 9.063 8.265 0.798 1
1 240 . 9 1 1 A 21 21 VAL HA H 21 3.608 3.547 0.061 1
1 245 . 9 1 1 A 21 21 VAL C C 21 176.301 177.752 -1.451 1
1 246 . 9 1 1 A 21 21 VAL CA C 21 66.684 67.078 -0.394 1
1 247 . 9 1 1 A 21 21 VAL CB C 21 31.879 31.379 0.500 1
1 249 . 9 1 1 A 21 21 VAL N N 21 122.114 119.433 2.681 1
1 250 . 9 1 1 A 22 22 ASP H H 22 8.427 8.044 0.383 1
1 251 . 9 1 1 A 22 22 ASP HA H 22 4.276 4.538 -0.262 1
1 254 . 9 1 1 A 22 22 ASP C C 22 177.428 178.195 -0.767 1
1 255 . 9 1 1 A 22 22 ASP CA C 22 57.143 56.594 0.549 1
1 256 . 9 1 1 A 22 22 ASP CB C 22 40.015 41.338 -1.323 1
1 257 . 9 1 1 A 22 22 ASP N N 22 122.544 121.488 1.056 1
1 258 . 9 1 1 A 23 23 ALA H H 23 7.451 7.746 -0.295 1
1 259 . 9 1 1 A 23 23 ALA HA H 23 4.284 4.256 0.028 1
1 263 . 9 1 1 A 23 23 ALA C C 23 177.647 177.720 -0.073 1
1 264 . 9 1 1 A 23 23 ALA CA C 23 52.140 52.197 -0.057 1
1 265 . 9 1 1 A 23 23 ALA CB C 23 19.094 19.600 -0.506 1
1 266 . 9 1 1 A 23 23 ALA N N 23 119.690 119.246 0.444 1
1 267 . 9 1 1 A 24 24 GLY H H 24 8.007 8.478 -0.471 1
1 268 . 9 1 1 A 24 24 GLY HA2 H 24 3.930 3.906 0.024 1
1 269 . 9 1 1 A 24 24 GLY HA3 H 24 3.786 3.922 -0.136 1
1 270 . 9 1 1 A 24 24 GLY C C 24 174.852 173.277 1.575 1
1 271 . 9 1 1 A 24 24 GLY CA C 24 45.939 46.792 -0.853 1
1 272 . 9 1 1 A 24 24 GLY N N 24 107.876 106.809 1.067 1
1 273 . 9 1 1 A 25 25 ILE H H 25 7.628 7.968 -0.340 1
1 274 . 9 1 1 A 25 25 ILE HA H 25 3.880 4.665 -0.785 1
1 281 . 9 1 1 A 25 25 ILE C C 25 174.954 174.544 0.410 1
1 282 . 9 1 1 A 25 25 ILE CA C 25 58.787 60.016 -1.229 1
1 283 . 9 1 1 A 25 25 ILE CB C 25 36.014 39.586 -3.572 1
1 286 . 9 1 1 A 25 25 ILE N N 25 121.226 120.991 0.235 1
1 287 . 9 1 1 A 26 26 ALA H H 26 8.454 8.623 -0.169 1
1 288 . 9 1 1 A 26 26 ALA HA H 26 4.164 4.213 -0.049 1
1 292 . 9 1 1 A 26 26 ALA C C 26 178.921 179.024 -0.103 1
1 293 . 9 1 1 A 26 26 ALA CA C 26 52.978 52.615 0.363 1
1 294 . 9 1 1 A 26 26 ALA CB C 26 19.648 19.233 0.415 1
1 295 . 9 1 1 A 26 26 ALA N N 26 127.062 125.162 1.900 1
1 296 . 9 1 1 A 27 27 GLU H H 27 8.652 8.812 -0.160 1
1 297 . 9 1 1 A 27 27 GLU HA H 27 3.728 4.094 -0.366 1
1 302 . 9 1 1 A 27 27 GLU C C 27 179.886 178.734 1.152 1
1 303 . 9 1 1 A 27 27 GLU CA C 27 59.830 58.970 0.860 1
1 304 . 9 1 1 A 27 27 GLU CB C 27 29.682 28.749 0.933 1
1 306 . 9 1 1 A 27 27 GLU N N 27 122.104 124.868 -2.764 1
1 307 . 9 1 1 A 28 28 LYS H H 28 8.315 8.131 0.184 1
1 308 . 9 1 1 A 28 28 LYS HA H 28 3.789 4.026 -0.237 1
1 315 . 9 1 1 A 28 28 LYS C C 28 177.179 178.658 -1.479 1
1 316 . 9 1 1 A 28 28 LYS CA C 28 58.673 59.358 -0.685 1
1 317 . 9 1 1 A 28 28 LYS CB C 28 31.279 32.159 -0.880 1
1 320 . 9 1 1 A 28 28 LYS N N 28 119.368 120.673 -1.305 1
1 321 . 9 1 1 A 29 29 TYR H H 29 7.372 8.224 -0.852 1
1 322 . 9 1 1 A 29 29 TYR HA H 29 4.448 4.292 0.156 1
1 329 . 9 1 1 A 29 29 TYR C C 29 177.413 178.467 -1.054 1
1 330 . 9 1 1 A 29 29 TYR CA C 29 59.246 61.038 -1.792 1
1 331 . 9 1 1 A 29 29 TYR CB C 29 38.528 37.731 0.797 1
1 336 . 9 1 1 A 29 29 TYR N N 29 116.907 119.024 -2.117 1
1 337 . 9 1 1 A 30 30 ILE H H 30 7.448 8.647 -1.199 1
1 338 . 9 1 1 A 30 30 ILE HA H 30 3.359 3.800 -0.441 1
1 345 . 9 1 1 A 30 30 ILE C C 30 177.662 178.292 -0.630 1
1 346 . 9 1 1 A 30 30 ILE CA C 30 65.541 64.860 0.681 1
1 347 . 9 1 1 A 30 30 ILE CB C 30 37.362 37.470 -0.108 1
1 350 . 9 1 1 A 30 30 ILE N N 30 120.953 120.863 0.090 1
1 351 . 9 1 1 A 31 31 LYS H H 31 7.835 8.228 -0.393 1
1 352 . 9 1 1 A 31 31 LYS HA H 31 3.831 4.091 -0.260 1
1 357 . 9 1 1 A 31 31 LYS C C 31 178.218 179.129 -0.911 1
1 358 . 9 1 1 A 31 31 LYS CA C 31 58.702 59.020 -0.318 1
1 359 . 9 1 1 A 31 31 LYS CB C 31 32.198 31.936 0.262 1
1 363 . 9 1 1 A 31 31 LYS N N 31 116.536 122.509 -5.973 1
1 364 . 9 1 1 A 32 32 LEU H H 32 7.335 7.819 -0.484 1
1 365 . 9 1 1 A 32 32 LEU HA H 32 3.905 3.934 -0.029 1
1 372 . 9 1 1 A 32 32 LEU C C 32 179.901 179.285 0.616 1
1 373 . 9 1 1 A 32 32 LEU CA C 32 57.366 57.880 -0.514 1
1 374 . 9 1 1 A 32 32 LEU CB C 32 41.550 41.285 0.265 1
1 377 . 9 1 1 A 32 32 LEU N N 32 117.191 118.985 -1.794 1
1 378 . 9 1 1 A 33 33 ILE H H 33 7.409 7.484 -0.075 1
1 379 . 9 1 1 A 33 33 ILE HA H 33 3.522 4.038 -0.516 1
1 389 . 9 1 1 A 33 33 ILE C C 33 177.354 178.219 -0.865 1
1 390 . 9 1 1 A 33 33 ILE CA C 33 62.128 63.483 -1.355 1
1 391 . 9 1 1 A 33 33 ILE CB C 33 35.578 37.971 -2.393 1
1 395 . 9 1 1 A 33 33 ILE N N 33 117.873 114.220 3.653 1
1 396 . 9 1 1 A 34 34 ALA H H 34 7.615 9.067 -1.452 1
1 397 . 9 1 1 A 34 34 ALA HA H 34 3.774 4.038 -0.264 1
1 401 . 9 1 1 A 34 34 ALA C C 34 178.789 180.017 -1.228 1
1 402 . 9 1 1 A 34 34 ALA CA C 34 54.717 54.825 -0.108 1
1 403 . 9 1 1 A 34 34 ALA CB C 34 18.384 18.440 -0.056 1
1 404 . 9 1 1 A 34 34 ALA N N 34 119.178 124.154 -4.976 1
1 405 . 9 1 1 A 35 35 ASN H H 35 7.354 8.061 -0.707 1
1 406 . 9 1 1 A 35 35 ASN HA H 35 4.572 4.682 -0.110 1
1 409 . 9 1 1 A 35 35 ASN C C 35 175.482 175.151 0.331 1
1 410 . 9 1 1 A 35 35 ASN CA C 35 52.835 53.812 -0.977 1
1 411 . 9 1 1 A 35 35 ASN CB C 35 39.178 39.008 0.170 1
1 412 . 9 1 1 A 35 35 ASN N N 35 113.033 117.181 -4.148 1
1 413 . 9 1 1 A 36 36 ALA H H 36 7.439 8.137 -0.698 1
1 414 . 9 1 1 A 36 36 ALA HA H 36 4.078 3.978 0.100 1
1 418 . 9 1 1 A 36 36 ALA C C 36 177.852 177.089 0.763 1
1 419 . 9 1 1 A 36 36 ALA CA C 36 53.179 54.065 -0.886 1
1 420 . 9 1 1 A 36 36 ALA CB C 36 19.460 17.955 1.505 1
1 421 . 9 1 1 A 36 36 ALA N N 36 123.843 120.826 3.017 1
1 422 . 9 1 1 A 37 37 LYS H H 37 8.739 8.846 -0.107 1
1 423 . 9 1 1 A 37 37 LYS HA H 37 4.238 4.340 -0.102 1
1 428 . 9 1 1 A 37 37 LYS C C 37 176.652 175.237 1.415 1
1 429 . 9 1 1 A 37 37 LYS CA C 37 56.659 57.926 -1.267 1
1 430 . 9 1 1 A 37 37 LYS CB C 37 34.979 32.433 2.546 1
1 434 . 9 1 1 A 37 37 LYS N N 37 117.112 119.122 -2.010 1
1 435 . 9 1 1 A 38 38 THR H H 38 7.340 7.527 -0.187 1
1 436 . 9 1 1 A 38 38 THR HA H 38 4.515 4.699 -0.184 1
1 440 . 9 1 1 A 38 38 THR C C 38 173.974 174.528 -0.554 1
1 441 . 9 1 1 A 38 38 THR CA C 38 58.511 59.710 -1.199 1
1 442 . 9 1 1 A 38 38 THR CB C 38 72.797 68.936 3.861 1
1 444 . 9 1 1 A 38 38 THR N N 38 106.407 109.729 -3.322 1
1 445 . 9 1 1 A 39 39 VAL H H 39 8.886 8.261 0.625 1
1 446 . 9 1 1 A 39 39 VAL HA H 39 2.956 3.869 -0.913 1
1 451 . 9 1 1 A 39 39 VAL C C 39 176.754 177.257 -0.503 1
1 452 . 9 1 1 A 39 39 VAL CA C 39 67.409 65.529 1.880 1
1 453 . 9 1 1 A 39 39 VAL CB C 39 30.821 31.878 -1.057 1
1 455 . 9 1 1 A 39 39 VAL N N 39 122.964 124.174 -1.210 1
1 456 . 9 1 1 A 40 40 GLU H H 40 8.839 8.639 0.200 1
1 457 . 9 1 1 A 40 40 GLU HA H 40 3.865 4.131 -0.266 1
1 462 . 9 1 1 A 40 40 GLU C C 40 179.345 180.232 -0.887 1
1 463 . 9 1 1 A 40 40 GLU CA C 40 60.003 59.434 0.569 1
1 464 . 9 1 1 A 40 40 GLU CB C 40 28.676 29.154 -0.478 1
1 466 . 9 1 1 A 40 40 GLU N N 40 117.880 120.760 -2.880 1
1 467 . 9 1 1 A 41 41 GLY H H 41 8.095 8.372 -0.277 1
1 468 . 9 1 1 A 41 41 GLY HA2 H 41 3.931 3.742 0.189 1
1 469 . 9 1 1 A 41 41 GLY HA3 H 41 3.730 3.759 -0.029 1
1 470 . 9 1 1 A 41 41 GLY C C 41 176.271 175.682 0.589 1
1 471 . 9 1 1 A 41 41 GLY CA C 41 46.388 47.556 -1.168 1
1 472 . 9 1 1 A 41 41 GLY N N 41 108.686 109.561 -0.875 1
1 473 . 9 1 1 A 42 42 VAL H H 42 7.772 9.083 -1.311 1
1 474 . 9 1 1 A 42 42 VAL HA H 42 3.087 3.800 -0.713 1
1 479 . 9 1 1 A 42 42 VAL C C 42 177.003 178.049 -1.046 1
1 480 . 9 1 1 A 42 42 VAL CA C 42 67.068 65.748 1.320 1
1 481 . 9 1 1 A 42 42 VAL CB C 42 30.987 31.593 -0.606 1
1 483 . 9 1 1 A 42 42 VAL N N 42 123.069 121.983 1.086 1
1 484 . 9 1 1 A 43 43 TRP H H 43 7.518 7.651 -0.133 1
1 485 . 9 1 1 A 43 43 TRP HA H 43 4.469 4.376 0.093 1
1 493 . 9 1 1 A 43 43 TRP C C 43 179.023 178.318 0.705 1
1 494 . 9 1 1 A 43 43 TRP CA C 43 59.134 60.395 -1.261 1
1 495 . 9 1 1 A 43 43 TRP CB C 43 29.437 29.609 -0.172 1
1 500 . 9 1 1 A 43 43 TRP N N 43 118.322 121.385 -3.063 1
1 502 . 9 1 1 A 44 44 THR H H 44 8.408 8.324 0.084 1
1 503 . 9 1 1 A 44 44 THR HA H 44 3.971 4.069 -0.098 1
1 508 . 9 1 1 A 44 44 THR C C 44 177.047 176.482 0.565 1
1 509 . 9 1 1 A 44 44 THR CA C 44 66.396 67.030 -0.634 1
1 510 . 9 1 1 A 44 44 THR CB C 44 69.069 68.863 0.206 1
1 512 . 9 1 1 A 44 44 THR N N 44 114.912 115.586 -0.674 1
1 513 . 9 1 1 A 45 45 LEU H H 45 7.862 9.758 -1.896 1
1 514 . 9 1 1 A 45 45 LEU HA H 45 3.584 3.997 -0.413 1
1 521 . 9 1 1 A 45 45 LEU C C 45 178.189 179.682 -1.493 1
1 522 . 9 1 1 A 45 45 LEU CA C 45 57.671 57.868 -0.197 1
1 523 . 9 1 1 A 45 45 LEU CB C 45 42.389 41.426 0.963 1
1 525 . 9 1 1 A 45 45 LEU N N 45 123.153 120.687 2.466 1
1 526 . 9 1 1 A 46 46 LYS H H 46 8.569 7.518 1.051 1
1 527 . 9 1 1 A 46 46 LYS HA H 46 3.587 4.061 -0.474 1
1 532 . 9 1 1 A 46 46 LYS C C 46 177.354 178.744 -1.390 1
1 533 . 9 1 1 A 46 46 LYS CA C 46 60.799 59.624 1.175 1
1 534 . 9 1 1 A 46 46 LYS CB C 46 30.790 31.976 -1.186 1
1 536 . 9 1 1 A 46 46 LYS N N 46 119.398 120.938 -1.540 1
1 537 . 9 1 1 A 47 47 ASP H H 47 7.694 8.016 -0.322 1
1 538 . 9 1 1 A 47 47 ASP HA H 47 4.325 4.164 0.161 1
1 541 . 9 1 1 A 47 47 ASP C C 47 179.023 178.833 0.190 1
1 542 . 9 1 1 A 47 47 ASP CA C 47 57.107 57.164 -0.057 1
1 543 . 9 1 1 A 47 47 ASP CB C 47 40.292 40.782 -0.490 1
1 544 . 9 1 1 A 47 47 ASP N N 47 116.887 119.289 -2.402 1
1 545 . 9 1 1 A 48 48 GLU H H 48 7.931 8.176 -0.245 1
1 546 . 9 1 1 A 48 48 GLU HA H 48 3.773 4.092 -0.319 1
1 551 . 9 1 1 A 48 48 GLU C C 48 179.125 178.453 0.672 1
1 552 . 9 1 1 A 48 48 GLU CA C 48 59.422 58.666 0.756 1
1 553 . 9 1 1 A 48 48 GLU CB C 48 29.598 29.501 0.097 1
1 555 . 9 1 1 A 48 48 GLU N N 48 121.719 119.392 2.327 1
1 556 . 9 1 1 A 49 49 ILE H H 49 8.553 8.686 -0.133 1
1 557 . 9 1 1 A 49 49 ILE HA H 49 3.424 3.595 -0.171 1
1 565 . 9 1 1 A 49 49 ILE C C 49 178.262 177.139 1.123 1
1 566 . 9 1 1 A 49 49 ILE CA C 49 64.372 62.756 1.616 1
1 567 . 9 1 1 A 49 49 ILE CB C 49 38.278 37.271 1.007 1
1 571 . 9 1 1 A 49 49 ILE N N 49 120.672 120.196 0.476 1
1 572 . 9 1 1 A 50 50 LEU H H 50 7.831 7.513 0.318 1
1 573 . 9 1 1 A 50 50 LEU HA H 50 3.795 4.100 -0.305 1
1 580 . 9 1 1 A 50 50 LEU C C 50 178.247 178.742 -0.495 1
1 581 . 9 1 1 A 50 50 LEU CA C 50 57.039 57.395 -0.356 1
1 582 . 9 1 1 A 50 50 LEU CB C 50 41.815 41.942 -0.127 1
1 585 . 9 1 1 A 50 50 LEU N N 50 117.810 122.395 -4.585 1
1 586 . 9 1 1 A 51 51 THR H H 51 7.560 8.011 -0.451 1
1 587 . 9 1 1 A 51 51 THR HA H 51 4.066 3.886 0.180 1
1 592 . 9 1 1 A 51 51 THR C C 51 175.276 175.893 -0.617 1
1 593 . 9 1 1 A 51 51 THR CA C 51 63.281 66.736 -3.455 1
1 594 . 9 1 1 A 51 51 THR CB C 51 69.695 68.598 1.097 1
1 596 . 9 1 1 A 51 51 THR N N 51 110.196 115.007 -4.811 1
1 597 . 9 1 1 A 52 52 PHE H H 52 7.744 7.772 -0.028 1
1 598 . 9 1 1 A 52 52 PHE HA H 52 4.484 4.427 0.057 1
1 605 . 9 1 1 A 52 52 PHE C C 52 176.549 175.641 0.908 1
1 606 . 9 1 1 A 52 52 PHE CA C 52 57.742 56.657 1.085 1
1 607 . 9 1 1 A 52 52 PHE CB C 52 37.819 36.979 0.840 1
1 612 . 9 1 1 A 52 52 PHE N N 52 120.944 120.225 0.719 1
1 613 . 9 1 1 A 53 53 THR H H 53 8.028 8.282 -0.254 1
1 614 . 9 1 1 A 53 53 THR HA H 53 4.085 4.232 -0.147 1
1 619 . 9 1 1 A 53 53 THR C C 53 174.471 173.758 0.713 1
1 620 . 9 1 1 A 53 53 THR CA C 53 62.330 63.042 -0.712 1
1 621 . 9 1 1 A 53 53 THR CB C 53 69.725 70.788 -1.063 1
1 623 . 9 1 1 A 53 53 THR N N 53 113.551 113.927 -0.376 1
1 624 . 9 1 1 A 54 54 VAL H H 54 7.827 7.851 -0.024 1
1 625 . 9 1 1 A 54 54 VAL HA H 54 4.047 4.116 -0.069 1
1 630 . 9 1 1 A 54 54 VAL C C 54 176.067 175.799 0.268 1
1 631 . 9 1 1 A 54 54 VAL CA C 54 62.299 62.164 0.135 1
1 632 . 9 1 1 A 54 54 VAL CB C 54 32.633 29.575 3.058 1
1 634 . 9 1 1 A 54 54 VAL N N 54 122.128 119.751 2.377 1
1 635 . 9 1 1 A 55 55 THR H H 55 8.233 8.127 0.106 1
1 636 . 9 1 1 A 55 55 THR HA H 55 4.212 4.396 -0.184 1
1 640 . 9 1 1 A 55 55 THR C C 55 173.647 173.493 0.154 1
1 641 . 9 1 1 A 55 55 THR CA C 55 61.620 62.581 -0.961 1
1 642 . 9 1 1 A 55 55 THR CB C 55 69.862 70.266 -0.404 1
1 644 . 9 1 1 A 55 55 THR N N 55 118.471 116.023 2.448 1
1 3 . 10 1 1 A 2 2 THR H H 2 7.970 7.723 0.247 1
1 4 . 10 1 1 A 2 2 THR HA H 2 4.183 4.682 -0.499 1
1 9 . 10 1 1 A 2 2 THR C C 2 173.875 173.536 0.339 1
1 10 . 10 1 1 A 2 2 THR CA C 2 61.768 61.537 0.231 1
1 11 . 10 1 1 A 2 2 THR CB C 2 69.631 72.777 -3.146 1
1 13 . 10 1 1 A 2 2 THR N N 2 128.423 115.509 12.914 1
1 14 . 10 1 1 A 3 3 TYR H H 3 8.247 7.806 0.441 1
1 15 . 10 1 1 A 3 3 TYR HA H 3 4.271 4.771 -0.500 1
1 22 . 10 1 1 A 3 3 TYR C C 3 175.714 174.656 1.058 1
1 23 . 10 1 1 A 3 3 TYR CA C 3 58.145 57.752 0.393 1
1 24 . 10 1 1 A 3 3 TYR CB C 3 38.753 39.135 -0.382 1
1 27 . 10 1 1 A 3 3 TYR N N 3 123.871 122.389 1.482 1
1 28 . 10 1 1 A 4 4 LYS H H 4 8.009 7.386 0.623 1
1 29 . 10 1 1 A 4 4 LYS HA H 4 3.963 4.830 -0.867 1
1 36 . 10 1 1 A 4 4 LYS C C 4 175.979 174.354 1.625 1
1 37 . 10 1 1 A 4 4 LYS CA C 4 56.821 55.666 1.155 1
1 38 . 10 1 1 A 4 4 LYS CB C 4 32.981 33.679 -0.698 1
1 40 . 10 1 1 A 4 4 LYS N N 4 122.309 121.545 0.764 1
1 41 . 10 1 1 A 5 5 LEU H H 5 7.918 8.793 -0.875 1
1 42 . 10 1 1 A 5 5 LEU HA H 5 4.151 4.871 -0.720 1
1 49 . 10 1 1 A 5 5 LEU C C 5 176.945 175.434 1.511 1
1 50 . 10 1 1 A 5 5 LEU CA C 5 55.320 53.557 1.763 1
1 51 . 10 1 1 A 5 5 LEU CB C 5 42.054 47.489 -5.435 1
1 55 . 10 1 1 A 5 5 LEU N N 5 121.830 124.640 -2.810 1
1 56 . 10 1 1 A 6 6 ILE H H 6 7.974 8.551 -0.577 1
1 57 . 10 1 1 A 6 6 ILE HA H 6 3.959 4.477 -0.518 1
1 67 . 10 1 1 A 6 6 ILE C C 6 176.110 175.349 0.761 1
1 68 . 10 1 1 A 6 6 ILE CA C 6 61.287 61.672 -0.385 1
1 69 . 10 1 1 A 6 6 ILE CB C 6 38.228 40.119 -1.891 1
1 73 . 10 1 1 A 6 6 ILE N N 6 121.898 117.975 3.923 1
1 74 . 10 1 1 A 7 7 LEU H H 7 8.071 7.542 0.529 1
1 75 . 10 1 1 A 7 7 LEU HA H 7 4.316 4.611 -0.295 1
1 82 . 10 1 1 A 7 7 LEU C C 7 176.915 176.308 0.607 1
1 83 . 10 1 1 A 7 7 LEU CA C 7 55.177 56.243 -1.066 1
1 84 . 10 1 1 A 7 7 LEU CB C 7 43.080 43.535 -0.455 1
1 86 . 10 1 1 A 7 7 LEU N N 7 125.296 121.975 3.321 1
1 87 . 10 1 1 A 8 8 ASN H H 8 8.021 8.225 -0.204 1
1 88 . 10 1 1 A 8 8 ASN HA H 8 4.570 5.101 -0.531 1
1 91 . 10 1 1 A 8 8 ASN C C 8 175.203 176.119 -0.916 1
1 92 . 10 1 1 A 8 8 ASN CA C 8 52.320 52.167 0.153 1
1 93 . 10 1 1 A 8 8 ASN CB C 8 39.229 38.657 0.572 1
1 94 . 10 1 1 A 8 8 ASN N N 8 117.805 114.430 3.375 1
1 95 . 10 1 1 A 9 9 LEU H H 9 8.385 7.703 0.682 1
1 96 . 10 1 1 A 9 9 LEU HA H 9 3.718 4.175 -0.457 1
1 106 . 10 1 1 A 9 9 LEU C C 9 177.150 178.690 -1.540 1
1 107 . 10 1 1 A 9 9 LEU CA C 9 58.501 57.448 1.053 1
1 108 . 10 1 1 A 9 9 LEU CB C 9 42.085 41.967 0.118 1
1 111 . 10 1 1 A 9 9 LEU N N 9 122.110 121.220 0.890 1
1 112 . 10 1 1 A 10 10 LYS H H 10 8.027 8.076 -0.049 1
1 113 . 10 1 1 A 10 10 LYS HA H 10 3.824 3.935 -0.111 1
1 118 . 10 1 1 A 10 10 LYS C C 10 178.555 178.916 -0.361 1
1 119 . 10 1 1 A 10 10 LYS CA C 10 59.893 59.927 -0.034 1
1 120 . 10 1 1 A 10 10 LYS CB C 10 32.143 32.281 -0.138 1
1 123 . 10 1 1 A 10 10 LYS N N 10 118.739 118.843 -0.104 1
1 124 . 10 1 1 A 11 11 GLN H H 11 7.574 8.193 -0.619 1
1 125 . 10 1 1 A 11 11 GLN HA H 11 3.984 4.152 -0.168 1
1 130 . 10 1 1 A 11 11 GLN C C 11 175.218 178.384 -3.166 1
1 131 . 10 1 1 A 11 11 GLN CA C 11 59.252 58.409 0.843 1
1 132 . 10 1 1 A 11 11 GLN CB C 11 29.579 28.827 0.752 1
1 134 . 10 1 1 A 11 11 GLN N N 11 117.396 118.510 -1.114 1
1 135 . 10 1 1 A 12 12 ALA H H 12 8.432 8.058 0.374 1
1 136 . 10 1 1 A 12 12 ALA HA H 12 4.001 4.147 -0.146 1
1 140 . 10 1 1 A 12 12 ALA C C 12 179.374 180.330 -0.956 1
1 141 . 10 1 1 A 12 12 ALA CA C 12 55.373 55.030 0.343 1
1 142 . 10 1 1 A 12 12 ALA CB C 12 18.214 18.377 -0.163 1
1 143 . 10 1 1 A 12 12 ALA N N 12 122.547 123.015 -0.468 1
1 144 . 10 1 1 A 13 13 LYS H H 13 8.276 7.935 0.341 1
1 145 . 10 1 1 A 13 13 LYS HA H 13 3.404 4.128 -0.724 1
1 152 . 10 1 1 A 13 13 LYS C C 13 178.467 178.789 -0.322 1
1 153 . 10 1 1 A 13 13 LYS CA C 13 60.801 59.008 1.793 1
1 154 . 10 1 1 A 13 13 LYS CB C 13 33.111 32.262 0.849 1
1 157 . 10 1 1 A 13 13 LYS N N 13 116.459 117.487 -1.028 1
1 158 . 10 1 1 A 14 14 GLU H H 14 7.840 7.910 -0.070 1
1 159 . 10 1 1 A 14 14 GLU HA H 14 3.755 4.043 -0.288 1
1 164 . 10 1 1 A 14 14 GLU C C 14 177.720 178.291 -0.571 1
1 165 . 10 1 1 A 14 14 GLU CA C 14 59.737 59.568 0.169 1
1 166 . 10 1 1 A 14 14 GLU CB C 14 29.453 29.354 0.099 1
1 168 . 10 1 1 A 14 14 GLU N N 14 116.581 119.860 -3.279 1
1 169 . 10 1 1 A 15 15 GLU H H 15 8.269 8.572 -0.303 1
1 170 . 10 1 1 A 15 15 GLU HA H 15 3.961 4.067 -0.106 1
1 175 . 10 1 1 A 15 15 GLU C C 15 178.438 178.736 -0.298 1
1 176 . 10 1 1 A 15 15 GLU CA C 15 58.383 59.304 -0.921 1
1 177 . 10 1 1 A 15 15 GLU CB C 15 28.994 29.223 -0.229 1
1 179 . 10 1 1 A 15 15 GLU N N 15 115.657 119.609 -3.952 1
1 180 . 10 1 1 A 16 16 ALA H H 16 8.500 7.614 0.886 1
1 181 . 10 1 1 A 16 16 ALA HA H 16 3.939 4.044 -0.105 1
1 185 . 10 1 1 A 16 16 ALA C C 16 179.330 180.094 -0.764 1
1 186 . 10 1 1 A 16 16 ALA CA C 16 55.401 55.146 0.255 1
1 187 . 10 1 1 A 16 16 ALA CB C 16 18.980 18.171 0.809 1
1 188 . 10 1 1 A 16 16 ALA N N 16 122.087 121.913 0.174 1
1 189 . 10 1 1 A 17 17 ILE H H 17 8.598 8.509 0.089 1
1 190 . 10 1 1 A 17 17 ILE HA H 17 3.334 3.651 -0.317 1
1 195 . 10 1 1 A 17 17 ILE C C 17 177.120 177.945 -0.825 1
1 196 . 10 1 1 A 17 17 ILE CA C 17 66.876 65.434 1.442 1
1 197 . 10 1 1 A 17 17 ILE CB C 17 37.817 38.001 -0.184 1
1 200 . 10 1 1 A 17 17 ILE N N 17 117.395 118.850 -1.455 1
1 201 . 10 1 1 A 18 18 LYS H H 18 7.633 7.845 -0.212 1
1 202 . 10 1 1 A 18 18 LYS HA H 18 3.748 3.980 -0.232 1
1 209 . 10 1 1 A 18 18 LYS C C 18 179.199 178.238 0.961 1
1 210 . 10 1 1 A 18 18 LYS CA C 18 60.001 58.914 1.087 1
1 211 . 10 1 1 A 18 18 LYS CB C 18 32.538 32.132 0.406 1
1 213 . 10 1 1 A 18 18 LYS N N 18 119.143 121.575 -2.432 1
1 214 . 10 1 1 A 19 19 GLU H H 19 8.192 7.819 0.373 1
1 215 . 10 1 1 A 19 19 GLU HA H 19 3.942 4.066 -0.124 1
1 220 . 10 1 1 A 19 19 GLU C C 19 179.813 178.769 1.044 1
1 221 . 10 1 1 A 19 19 GLU CA C 19 59.577 58.876 0.701 1
1 222 . 10 1 1 A 19 19 GLU CB C 19 29.756 29.566 0.190 1
1 224 . 10 1 1 A 19 19 GLU N N 19 118.201 119.553 -1.352 1
1 225 . 10 1 1 A 20 20 LEU H H 20 8.128 8.183 -0.055 1
1 226 . 10 1 1 A 20 20 LEU HA H 20 3.877 4.134 -0.257 1
1 233 . 10 1 1 A 20 20 LEU C C 20 178.906 178.970 -0.064 1
1 234 . 10 1 1 A 20 20 LEU CA C 20 58.171 57.986 0.185 1
1 235 . 10 1 1 A 20 20 LEU CB C 20 41.496 41.675 -0.179 1
1 238 . 10 1 1 A 20 20 LEU N N 20 119.841 121.667 -1.826 1
1 239 . 10 1 1 A 21 21 VAL H H 21 9.063 8.745 0.318 1
1 240 . 10 1 1 A 21 21 VAL HA H 21 3.608 3.541 0.067 1
1 245 . 10 1 1 A 21 21 VAL C C 21 176.301 178.053 -1.752 1
1 246 . 10 1 1 A 21 21 VAL CA C 21 66.684 67.125 -0.441 1
1 247 . 10 1 1 A 21 21 VAL CB C 21 31.879 31.308 0.571 1
1 249 . 10 1 1 A 21 21 VAL N N 21 122.114 119.521 2.593 1
1 250 . 10 1 1 A 22 22 ASP H H 22 8.427 8.102 0.325 1
1 251 . 10 1 1 A 22 22 ASP HA H 22 4.276 4.404 -0.128 1
1 254 . 10 1 1 A 22 22 ASP C C 22 177.428 178.500 -1.072 1
1 255 . 10 1 1 A 22 22 ASP CA C 22 57.143 56.911 0.232 1
1 256 . 10 1 1 A 22 22 ASP CB C 22 40.015 41.027 -1.012 1
1 257 . 10 1 1 A 22 22 ASP N N 22 122.544 121.589 0.955 1
1 258 . 10 1 1 A 23 23 ALA H H 23 7.451 7.787 -0.336 1
1 259 . 10 1 1 A 23 23 ALA HA H 23 4.284 4.371 -0.087 1
1 263 . 10 1 1 A 23 23 ALA C C 23 177.647 177.874 -0.227 1
1 264 . 10 1 1 A 23 23 ALA CA C 23 52.140 52.258 -0.118 1
1 265 . 10 1 1 A 23 23 ALA CB C 23 19.094 19.681 -0.587 1
1 266 . 10 1 1 A 23 23 ALA N N 23 119.690 119.078 0.612 1
1 267 . 10 1 1 A 24 24 GLY H H 24 8.007 8.329 -0.322 1
1 268 . 10 1 1 A 24 24 GLY HA2 H 24 3.930 3.915 0.015 1
1 269 . 10 1 1 A 24 24 GLY HA3 H 24 3.786 3.930 -0.144 1
1 270 . 10 1 1 A 24 24 GLY C C 24 174.852 173.812 1.040 1
1 271 . 10 1 1 A 24 24 GLY CA C 24 45.939 47.007 -1.068 1
1 272 . 10 1 1 A 24 24 GLY N N 24 107.876 107.307 0.569 1
1 273 . 10 1 1 A 25 25 ILE H H 25 7.628 7.993 -0.365 1
1 274 . 10 1 1 A 25 25 ILE HA H 25 3.880 4.784 -0.904 1
1 281 . 10 1 1 A 25 25 ILE C C 25 174.954 174.790 0.164 1
1 282 . 10 1 1 A 25 25 ILE CA C 25 58.787 59.591 -0.804 1
1 283 . 10 1 1 A 25 25 ILE CB C 25 36.014 41.965 -5.951 1
1 286 . 10 1 1 A 25 25 ILE N N 25 121.226 120.827 0.399 1
1 287 . 10 1 1 A 26 26 ALA H H 26 8.454 8.722 -0.268 1
1 288 . 10 1 1 A 26 26 ALA HA H 26 4.164 4.219 -0.055 1
1 292 . 10 1 1 A 26 26 ALA C C 26 178.921 178.610 0.311 1
1 293 . 10 1 1 A 26 26 ALA CA C 26 52.978 52.653 0.325 1
1 294 . 10 1 1 A 26 26 ALA CB C 26 19.648 19.020 0.628 1
1 295 . 10 1 1 A 26 26 ALA N N 26 127.062 126.807 0.255 1
1 296 . 10 1 1 A 27 27 GLU H H 27 8.652 8.823 -0.171 1
1 297 . 10 1 1 A 27 27 GLU HA H 27 3.728 3.997 -0.269 1
1 302 . 10 1 1 A 27 27 GLU C C 27 179.886 178.215 1.671 1
1 303 . 10 1 1 A 27 27 GLU CA C 27 59.830 59.711 0.119 1
1 304 . 10 1 1 A 27 27 GLU CB C 27 29.682 29.205 0.477 1
1 306 . 10 1 1 A 27 27 GLU N N 27 122.104 124.703 -2.599 1
1 307 . 10 1 1 A 28 28 LYS H H 28 8.315 8.116 0.199 1
1 308 . 10 1 1 A 28 28 LYS HA H 28 3.789 3.906 -0.117 1
1 315 . 10 1 1 A 28 28 LYS C C 28 177.179 178.940 -1.761 1
1 316 . 10 1 1 A 28 28 LYS CA C 28 58.673 59.329 -0.656 1
1 317 . 10 1 1 A 28 28 LYS CB C 28 31.279 32.152 -0.873 1
1 320 . 10 1 1 A 28 28 LYS N N 28 119.368 119.837 -0.469 1
1 321 . 10 1 1 A 29 29 TYR H H 29 7.372 7.643 -0.271 1
1 322 . 10 1 1 A 29 29 TYR HA H 29 4.448 4.288 0.160 1
1 329 . 10 1 1 A 29 29 TYR C C 29 177.413 178.503 -1.090 1
1 330 . 10 1 1 A 29 29 TYR CA C 29 59.246 61.027 -1.781 1
1 331 . 10 1 1 A 29 29 TYR CB C 29 38.528 37.624 0.904 1
1 336 . 10 1 1 A 29 29 TYR N N 29 116.907 119.090 -2.183 1
1 337 . 10 1 1 A 30 30 ILE H H 30 7.448 8.654 -1.206 1
1 338 . 10 1 1 A 30 30 ILE HA H 30 3.359 3.851 -0.492 1
1 345 . 10 1 1 A 30 30 ILE C C 30 177.662 177.746 -0.084 1
1 346 . 10 1 1 A 30 30 ILE CA C 30 65.541 63.546 1.995 1
1 347 . 10 1 1 A 30 30 ILE CB C 30 37.362 37.594 -0.232 1
1 350 . 10 1 1 A 30 30 ILE N N 30 120.953 120.340 0.613 1
1 351 . 10 1 1 A 31 31 LYS H H 31 7.835 8.165 -0.330 1
1 352 . 10 1 1 A 31 31 LYS HA H 31 3.831 4.053 -0.222 1
1 357 . 10 1 1 A 31 31 LYS C C 31 178.218 179.033 -0.815 1
1 358 . 10 1 1 A 31 31 LYS CA C 31 58.702 59.082 -0.380 1
1 359 . 10 1 1 A 31 31 LYS CB C 31 32.198 31.934 0.264 1
1 363 . 10 1 1 A 31 31 LYS N N 31 116.536 122.059 -5.523 1
1 364 . 10 1 1 A 32 32 LEU H H 32 7.335 7.815 -0.480 1
1 365 . 10 1 1 A 32 32 LEU HA H 32 3.905 4.002 -0.097 1
1 372 . 10 1 1 A 32 32 LEU C C 32 179.901 179.439 0.462 1
1 373 . 10 1 1 A 32 32 LEU CA C 32 57.366 58.017 -0.651 1
1 374 . 10 1 1 A 32 32 LEU CB C 32 41.550 41.694 -0.144 1
1 377 . 10 1 1 A 32 32 LEU N N 32 117.191 118.871 -1.680 1
1 378 . 10 1 1 A 33 33 ILE H H 33 7.409 7.443 -0.034 1
1 379 . 10 1 1 A 33 33 ILE HA H 33 3.522 4.022 -0.500 1
1 389 . 10 1 1 A 33 33 ILE C C 33 177.354 178.208 -0.854 1
1 390 . 10 1 1 A 33 33 ILE CA C 33 62.128 63.574 -1.446 1
1 391 . 10 1 1 A 33 33 ILE CB C 33 35.578 37.939 -2.361 1
1 395 . 10 1 1 A 33 33 ILE N N 33 117.873 113.811 4.062 1
1 396 . 10 1 1 A 34 34 ALA H H 34 7.615 8.994 -1.379 1
1 397 . 10 1 1 A 34 34 ALA HA H 34 3.774 4.021 -0.247 1
1 401 . 10 1 1 A 34 34 ALA C C 34 178.789 180.317 -1.528 1
1 402 . 10 1 1 A 34 34 ALA CA C 34 54.717 54.848 -0.131 1
1 403 . 10 1 1 A 34 34 ALA CB C 34 18.384 18.445 -0.061 1
1 404 . 10 1 1 A 34 34 ALA N N 34 119.178 124.202 -5.024 1
1 405 . 10 1 1 A 35 35 ASN H H 35 7.354 8.170 -0.816 1
1 406 . 10 1 1 A 35 35 ASN HA H 35 4.572 4.648 -0.076 1
1 409 . 10 1 1 A 35 35 ASN C C 35 175.482 175.148 0.334 1
1 410 . 10 1 1 A 35 35 ASN CA C 35 52.835 54.432 -1.597 1
1 411 . 10 1 1 A 35 35 ASN CB C 35 39.178 39.023 0.155 1
1 412 . 10 1 1 A 35 35 ASN N N 35 113.033 117.192 -4.159 1
1 413 . 10 1 1 A 36 36 ALA H H 36 7.439 8.054 -0.615 1
1 414 . 10 1 1 A 36 36 ALA HA H 36 4.078 3.979 0.099 1
1 418 . 10 1 1 A 36 36 ALA C C 36 177.852 177.082 0.770 1
1 419 . 10 1 1 A 36 36 ALA CA C 36 53.179 54.071 -0.892 1
1 420 . 10 1 1 A 36 36 ALA CB C 36 19.460 17.997 1.463 1
1 421 . 10 1 1 A 36 36 ALA N N 36 123.843 120.693 3.150 1
1 422 . 10 1 1 A 37 37 LYS H H 37 8.739 8.844 -0.105 1
1 423 . 10 1 1 A 37 37 LYS HA H 37 4.238 4.354 -0.116 1
1 428 . 10 1 1 A 37 37 LYS C C 37 176.652 175.248 1.404 1
1 429 . 10 1 1 A 37 37 LYS CA C 37 56.659 57.994 -1.335 1
1 430 . 10 1 1 A 37 37 LYS CB C 37 34.979 32.438 2.541 1
1 434 . 10 1 1 A 37 37 LYS N N 37 117.112 119.146 -2.034 1
1 435 . 10 1 1 A 38 38 THR H H 38 7.340 7.534 -0.194 1
1 436 . 10 1 1 A 38 38 THR HA H 38 4.515 4.705 -0.190 1
1 440 . 10 1 1 A 38 38 THR C C 38 173.974 174.588 -0.614 1
1 441 . 10 1 1 A 38 38 THR CA C 38 58.511 59.763 -1.252 1
1 442 . 10 1 1 A 38 38 THR CB C 38 72.797 68.942 3.855 1
1 444 . 10 1 1 A 38 38 THR N N 38 106.407 109.724 -3.317 1
1 445 . 10 1 1 A 39 39 VAL H H 39 8.886 8.239 0.647 1
1 446 . 10 1 1 A 39 39 VAL HA H 39 2.956 3.855 -0.899 1
1 451 . 10 1 1 A 39 39 VAL C C 39 176.754 177.120 -0.366 1
1 452 . 10 1 1 A 39 39 VAL CA C 39 67.409 65.550 1.859 1
1 453 . 10 1 1 A 39 39 VAL CB C 39 30.821 31.944 -1.123 1
1 455 . 10 1 1 A 39 39 VAL N N 39 122.964 124.194 -1.230 1
1 456 . 10 1 1 A 40 40 GLU H H 40 8.839 8.685 0.154 1
1 457 . 10 1 1 A 40 40 GLU HA H 40 3.865 4.130 -0.265 1
1 462 . 10 1 1 A 40 40 GLU C C 40 179.345 180.026 -0.681 1
1 463 . 10 1 1 A 40 40 GLU CA C 40 60.003 59.541 0.462 1
1 464 . 10 1 1 A 40 40 GLU CB C 40 28.676 28.970 -0.294 1
1 466 . 10 1 1 A 40 40 GLU N N 40 117.880 120.484 -2.604 1
1 467 . 10 1 1 A 41 41 GLY H H 41 8.095 8.328 -0.233 1
1 468 . 10 1 1 A 41 41 GLY HA2 H 41 3.931 3.760 0.171 1
1 469 . 10 1 1 A 41 41 GLY HA3 H 41 3.730 3.779 -0.049 1
1 470 . 10 1 1 A 41 41 GLY C C 41 176.271 175.546 0.725 1
1 471 . 10 1 1 A 41 41 GLY CA C 41 46.388 47.651 -1.263 1
1 472 . 10 1 1 A 41 41 GLY N N 41 108.686 109.135 -0.449 1
1 473 . 10 1 1 A 42 42 VAL H H 42 7.772 9.107 -1.335 1
1 474 . 10 1 1 A 42 42 VAL HA H 42 3.087 3.782 -0.695 1
1 479 . 10 1 1 A 42 42 VAL C C 42 177.003 177.894 -0.891 1
1 480 . 10 1 1 A 42 42 VAL CA C 42 67.068 65.742 1.326 1
1 481 . 10 1 1 A 42 42 VAL CB C 42 30.987 31.609 -0.622 1
1 483 . 10 1 1 A 42 42 VAL N N 42 123.069 121.952 1.117 1
1 484 . 10 1 1 A 43 43 TRP H H 43 7.518 7.666 -0.148 1
1 485 . 10 1 1 A 43 43 TRP HA H 43 4.469 4.376 0.093 1
1 493 . 10 1 1 A 43 43 TRP C C 43 179.023 178.305 0.718 1
1 494 . 10 1 1 A 43 43 TRP CA C 43 59.134 60.365 -1.231 1
1 495 . 10 1 1 A 43 43 TRP CB C 43 29.437 29.510 -0.073 1
1 500 . 10 1 1 A 43 43 TRP N N 43 118.322 121.417 -3.095 1
1 502 . 10 1 1 A 44 44 THR H H 44 8.408 8.319 0.089 1
1 503 . 10 1 1 A 44 44 THR HA H 44 3.971 4.024 -0.053 1
1 508 . 10 1 1 A 44 44 THR C C 44 177.047 176.276 0.771 1
1 509 . 10 1 1 A 44 44 THR CA C 44 66.396 67.028 -0.632 1
1 510 . 10 1 1 A 44 44 THR CB C 44 69.069 68.910 0.159 1
1 512 . 10 1 1 A 44 44 THR N N 44 114.912 115.660 -0.748 1
1 513 . 10 1 1 A 45 45 LEU H H 45 7.862 9.700 -1.838 1
1 514 . 10 1 1 A 45 45 LEU HA H 45 3.584 3.857 -0.273 1
1 521 . 10 1 1 A 45 45 LEU C C 45 178.189 179.411 -1.222 1
1 522 . 10 1 1 A 45 45 LEU CA C 45 57.671 57.706 -0.035 1
1 523 . 10 1 1 A 45 45 LEU CB C 45 42.389 41.443 0.946 1
1 525 . 10 1 1 A 45 45 LEU N N 45 123.153 120.684 2.469 1
1 526 . 10 1 1 A 46 46 LYS H H 46 8.569 7.467 1.102 1
1 527 . 10 1 1 A 46 46 LYS HA H 46 3.587 3.987 -0.400 1
1 532 . 10 1 1 A 46 46 LYS C C 46 177.354 178.703 -1.349 1
1 533 . 10 1 1 A 46 46 LYS CA C 46 60.799 59.572 1.227 1
1 534 . 10 1 1 A 46 46 LYS CB C 46 30.790 31.900 -1.110 1
1 536 . 10 1 1 A 46 46 LYS N N 46 119.398 121.084 -1.686 1
1 537 . 10 1 1 A 47 47 ASP H H 47 7.694 7.830 -0.136 1
1 538 . 10 1 1 A 47 47 ASP HA H 47 4.325 4.144 0.181 1
1 541 . 10 1 1 A 47 47 ASP C C 47 179.023 178.633 0.390 1
1 542 . 10 1 1 A 47 47 ASP CA C 47 57.107 56.623 0.484 1
1 543 . 10 1 1 A 47 47 ASP CB C 47 40.292 40.486 -0.194 1
1 544 . 10 1 1 A 47 47 ASP N N 47 116.887 119.379 -2.492 1
1 545 . 10 1 1 A 48 48 GLU H H 48 7.931 8.034 -0.103 1
1 546 . 10 1 1 A 48 48 GLU HA H 48 3.773 4.026 -0.253 1
1 551 . 10 1 1 A 48 48 GLU C C 48 179.125 178.569 0.556 1
1 552 . 10 1 1 A 48 48 GLU CA C 48 59.422 58.629 0.793 1
1 553 . 10 1 1 A 48 48 GLU CB C 48 29.598 29.427 0.171 1
1 555 . 10 1 1 A 48 48 GLU N N 48 121.719 118.907 2.812 1
1 556 . 10 1 1 A 49 49 ILE H H 49 8.553 8.649 -0.096 1
1 557 . 10 1 1 A 49 49 ILE HA H 49 3.424 3.267 0.157 1
1 565 . 10 1 1 A 49 49 ILE C C 49 178.262 176.991 1.271 1
1 566 . 10 1 1 A 49 49 ILE CA C 49 64.372 62.855 1.517 1
1 567 . 10 1 1 A 49 49 ILE CB C 49 38.278 37.135 1.143 1
1 571 . 10 1 1 A 49 49 ILE N N 49 120.672 120.121 0.551 1
1 572 . 10 1 1 A 50 50 LEU H H 50 7.831 7.425 0.406 1
1 573 . 10 1 1 A 50 50 LEU HA H 50 3.795 4.179 -0.384 1
1 580 . 10 1 1 A 50 50 LEU C C 50 178.247 179.125 -0.878 1
1 581 . 10 1 1 A 50 50 LEU CA C 50 57.039 57.222 -0.183 1
1 582 . 10 1 1 A 50 50 LEU CB C 50 41.815 41.994 -0.179 1
1 585 . 10 1 1 A 50 50 LEU N N 50 117.810 122.041 -4.231 1
1 586 . 10 1 1 A 51 51 THR H H 51 7.560 8.046 -0.486 1
1 587 . 10 1 1 A 51 51 THR HA H 51 4.066 4.049 0.017 1
1 592 . 10 1 1 A 51 51 THR C C 51 175.276 175.452 -0.176 1
1 593 . 10 1 1 A 51 51 THR CA C 51 63.281 65.376 -2.095 1
1 594 . 10 1 1 A 51 51 THR CB C 51 69.695 68.602 1.093 1
1 596 . 10 1 1 A 51 51 THR N N 51 110.196 115.302 -5.106 1
1 597 . 10 1 1 A 52 52 PHE H H 52 7.744 7.716 0.028 1
1 598 . 10 1 1 A 52 52 PHE HA H 52 4.484 4.501 -0.017 1
1 605 . 10 1 1 A 52 52 PHE C C 52 176.549 174.623 1.926 1
1 606 . 10 1 1 A 52 52 PHE CA C 52 57.742 57.272 0.470 1
1 607 . 10 1 1 A 52 52 PHE CB C 52 37.819 38.924 -1.105 1
1 612 . 10 1 1 A 52 52 PHE N N 52 120.944 118.037 2.907 1
1 613 . 10 1 1 A 53 53 THR H H 53 8.028 7.716 0.312 1
1 614 . 10 1 1 A 53 53 THR HA H 53 4.085 4.333 -0.248 1
1 619 . 10 1 1 A 53 53 THR C C 53 174.471 174.311 0.160 1
1 620 . 10 1 1 A 53 53 THR CA C 53 62.330 63.265 -0.935 1
1 621 . 10 1 1 A 53 53 THR CB C 53 69.725 71.165 -1.440 1
1 623 . 10 1 1 A 53 53 THR N N 53 113.551 110.996 2.555 1
1 624 . 10 1 1 A 54 54 VAL H H 54 7.827 7.883 -0.056 1
1 625 . 10 1 1 A 54 54 VAL HA H 54 4.047 3.840 0.207 1
1 630 . 10 1 1 A 54 54 VAL C C 54 176.067 175.110 0.957 1
1 631 . 10 1 1 A 54 54 VAL CA C 54 62.299 62.334 -0.035 1
1 632 . 10 1 1 A 54 54 VAL CB C 54 32.633 30.836 1.797 1
1 634 . 10 1 1 A 54 54 VAL N N 54 122.128 117.807 4.321 1
1 635 . 10 1 1 A 55 55 THR H H 55 8.233 8.505 -0.272 1
1 636 . 10 1 1 A 55 55 THR HA H 55 4.212 4.296 -0.084 1
1 640 . 10 1 1 A 55 55 THR C C 55 173.647 174.006 -0.359 1
1 641 . 10 1 1 A 55 55 THR CA C 55 61.620 63.370 -1.750 1
1 642 . 10 1 1 A 55 55 THR CB C 55 69.862 69.200 0.662 1
1 644 . 10 1 1 A 55 55 THR N N 55 118.471 122.661 -4.190 1
1 3 . 11 1 1 A 2 2 THR H H 2 7.970 8.638 -0.668 1
1 4 . 11 1 1 A 2 2 THR HA H 2 4.183 4.868 -0.685 1
1 9 . 11 1 1 A 2 2 THR C C 2 173.875 173.476 0.399 1
1 10 . 11 1 1 A 2 2 THR CA C 2 61.768 60.350 1.418 1
1 11 . 11 1 1 A 2 2 THR CB C 2 69.631 71.876 -2.245 1
1 13 . 11 1 1 A 2 2 THR N N 2 128.423 119.279 9.144 1
1 14 . 11 1 1 A 3 3 TYR H H 3 8.247 8.298 -0.051 1
1 15 . 11 1 1 A 3 3 TYR HA H 3 4.271 4.775 -0.504 1
1 22 . 11 1 1 A 3 3 TYR C C 3 175.714 174.773 0.941 1
1 23 . 11 1 1 A 3 3 TYR CA C 3 58.145 57.455 0.690 1
1 24 . 11 1 1 A 3 3 TYR CB C 3 38.753 38.684 0.069 1
1 27 . 11 1 1 A 3 3 TYR N N 3 123.871 121.392 2.479 1
1 28 . 11 1 1 A 4 4 LYS H H 4 8.009 7.350 0.659 1
1 29 . 11 1 1 A 4 4 LYS HA H 4 3.963 4.522 -0.559 1
1 36 . 11 1 1 A 4 4 LYS C C 4 175.979 176.363 -0.384 1
1 37 . 11 1 1 A 4 4 LYS CA C 4 56.821 55.452 1.369 1
1 38 . 11 1 1 A 4 4 LYS CB C 4 32.981 32.551 0.430 1
1 40 . 11 1 1 A 4 4 LYS N N 4 122.309 121.183 1.126 1
1 41 . 11 1 1 A 5 5 LEU H H 5 7.918 8.431 -0.513 1
1 42 . 11 1 1 A 5 5 LEU HA H 5 4.151 4.481 -0.330 1
1 49 . 11 1 1 A 5 5 LEU C C 5 176.945 176.483 0.462 1
1 50 . 11 1 1 A 5 5 LEU CA C 5 55.320 55.767 -0.447 1
1 51 . 11 1 1 A 5 5 LEU CB C 5 42.054 44.735 -2.681 1
1 55 . 11 1 1 A 5 5 LEU N N 5 121.830 126.251 -4.421 1
1 56 . 11 1 1 A 6 6 ILE H H 6 7.974 7.534 0.440 1
1 57 . 11 1 1 A 6 6 ILE HA H 6 3.959 4.312 -0.353 1
1 67 . 11 1 1 A 6 6 ILE C C 6 176.110 175.236 0.874 1
1 68 . 11 1 1 A 6 6 ILE CA C 6 61.287 60.566 0.721 1
1 69 . 11 1 1 A 6 6 ILE CB C 6 38.228 39.452 -1.224 1
1 73 . 11 1 1 A 6 6 ILE N N 6 121.898 115.613 6.285 1
1 74 . 11 1 1 A 7 7 LEU H H 7 8.071 8.418 -0.347 1
1 75 . 11 1 1 A 7 7 LEU HA H 7 4.316 4.645 -0.329 1
1 82 . 11 1 1 A 7 7 LEU C C 7 176.915 175.138 1.777 1
1 83 . 11 1 1 A 7 7 LEU CA C 7 55.177 53.984 1.193 1
1 84 . 11 1 1 A 7 7 LEU CB C 7 43.080 45.425 -2.345 1
1 86 . 11 1 1 A 7 7 LEU N N 7 125.296 123.548 1.748 1
1 87 . 11 1 1 A 8 8 ASN H H 8 8.021 8.683 -0.662 1
1 88 . 11 1 1 A 8 8 ASN HA H 8 4.570 5.033 -0.463 1
1 91 . 11 1 1 A 8 8 ASN C C 8 175.203 175.452 -0.249 1
1 92 . 11 1 1 A 8 8 ASN CA C 8 52.320 52.434 -0.114 1
1 93 . 11 1 1 A 8 8 ASN CB C 8 39.229 39.216 0.013 1
1 94 . 11 1 1 A 8 8 ASN N N 8 117.805 118.528 -0.723 1
1 95 . 11 1 1 A 9 9 LEU H H 9 8.385 7.657 0.728 1
1 96 . 11 1 1 A 9 9 LEU HA H 9 3.718 4.206 -0.488 1
1 106 . 11 1 1 A 9 9 LEU C C 9 177.150 178.082 -0.932 1
1 107 . 11 1 1 A 9 9 LEU CA C 9 58.501 57.307 1.194 1
1 108 . 11 1 1 A 9 9 LEU CB C 9 42.085 42.202 -0.117 1
1 111 . 11 1 1 A 9 9 LEU N N 9 122.110 122.155 -0.045 1
1 112 . 11 1 1 A 10 10 LYS H H 10 8.027 8.253 -0.226 1
1 113 . 11 1 1 A 10 10 LYS HA H 10 3.824 3.908 -0.084 1
1 118 . 11 1 1 A 10 10 LYS C C 10 178.555 178.947 -0.392 1
1 119 . 11 1 1 A 10 10 LYS CA C 10 59.893 59.696 0.197 1
1 120 . 11 1 1 A 10 10 LYS CB C 10 32.143 32.259 -0.116 1
1 123 . 11 1 1 A 10 10 LYS N N 10 118.739 119.057 -0.318 1
1 124 . 11 1 1 A 11 11 GLN H H 11 7.574 8.150 -0.576 1
1 125 . 11 1 1 A 11 11 GLN HA H 11 3.984 4.195 -0.211 1
1 130 . 11 1 1 A 11 11 GLN C C 11 175.218 178.220 -3.002 1
1 131 . 11 1 1 A 11 11 GLN CA C 11 59.252 58.770 0.482 1
1 132 . 11 1 1 A 11 11 GLN CB C 11 29.579 28.424 1.155 1
1 134 . 11 1 1 A 11 11 GLN N N 11 117.396 118.162 -0.766 1
1 135 . 11 1 1 A 12 12 ALA H H 12 8.432 7.977 0.455 1
1 136 . 11 1 1 A 12 12 ALA HA H 12 4.001 4.452 -0.451 1
1 140 . 11 1 1 A 12 12 ALA C C 12 179.374 180.380 -1.006 1
1 141 . 11 1 1 A 12 12 ALA CA C 12 55.373 55.139 0.234 1
1 142 . 11 1 1 A 12 12 ALA CB C 12 18.214 18.503 -0.289 1
1 143 . 11 1 1 A 12 12 ALA N N 12 122.547 122.946 -0.399 1
1 144 . 11 1 1 A 13 13 LYS H H 13 8.276 8.079 0.197 1
1 145 . 11 1 1 A 13 13 LYS HA H 13 3.404 4.152 -0.748 1
1 152 . 11 1 1 A 13 13 LYS C C 13 178.467 178.733 -0.266 1
1 153 . 11 1 1 A 13 13 LYS CA C 13 60.801 59.117 1.684 1
1 154 . 11 1 1 A 13 13 LYS CB C 13 33.111 32.301 0.810 1
1 157 . 11 1 1 A 13 13 LYS N N 13 116.459 117.563 -1.104 1
1 158 . 11 1 1 A 14 14 GLU H H 14 7.840 8.029 -0.189 1
1 159 . 11 1 1 A 14 14 GLU HA H 14 3.755 4.059 -0.304 1
1 164 . 11 1 1 A 14 14 GLU C C 14 177.720 178.482 -0.762 1
1 165 . 11 1 1 A 14 14 GLU CA C 14 59.737 59.566 0.171 1
1 166 . 11 1 1 A 14 14 GLU CB C 14 29.453 29.323 0.130 1
1 168 . 11 1 1 A 14 14 GLU N N 14 116.581 119.994 -3.413 1
1 169 . 11 1 1 A 15 15 GLU H H 15 8.269 8.244 0.025 1
1 170 . 11 1 1 A 15 15 GLU HA H 15 3.961 4.125 -0.164 1
1 175 . 11 1 1 A 15 15 GLU C C 15 178.438 178.816 -0.378 1
1 176 . 11 1 1 A 15 15 GLU CA C 15 58.383 58.928 -0.545 1
1 177 . 11 1 1 A 15 15 GLU CB C 15 28.994 29.181 -0.187 1
1 179 . 11 1 1 A 15 15 GLU N N 15 115.657 120.144 -4.487 1
1 180 . 11 1 1 A 16 16 ALA H H 16 8.500 7.600 0.900 1
1 181 . 11 1 1 A 16 16 ALA HA H 16 3.939 4.019 -0.080 1
1 185 . 11 1 1 A 16 16 ALA C C 16 179.330 180.134 -0.804 1
1 186 . 11 1 1 A 16 16 ALA CA C 16 55.401 54.920 0.481 1
1 187 . 11 1 1 A 16 16 ALA CB C 16 18.980 18.124 0.856 1
1 188 . 11 1 1 A 16 16 ALA N N 16 122.087 121.979 0.108 1
1 189 . 11 1 1 A 17 17 ILE H H 17 8.598 8.824 -0.226 1
1 190 . 11 1 1 A 17 17 ILE HA H 17 3.334 3.923 -0.589 1
1 195 . 11 1 1 A 17 17 ILE C C 17 177.120 177.505 -0.385 1
1 196 . 11 1 1 A 17 17 ILE CA C 17 66.876 63.658 3.218 1
1 197 . 11 1 1 A 17 17 ILE CB C 17 37.817 37.613 0.204 1
1 200 . 11 1 1 A 17 17 ILE N N 17 117.395 119.244 -1.849 1
1 201 . 11 1 1 A 18 18 LYS H H 18 7.633 7.594 0.039 1
1 202 . 11 1 1 A 18 18 LYS HA H 18 3.748 4.041 -0.293 1
1 209 . 11 1 1 A 18 18 LYS C C 18 179.199 178.657 0.542 1
1 210 . 11 1 1 A 18 18 LYS CA C 18 60.001 58.888 1.113 1
1 211 . 11 1 1 A 18 18 LYS CB C 18 32.538 31.690 0.848 1
1 213 . 11 1 1 A 18 18 LYS N N 18 119.143 121.406 -2.263 1
1 214 . 11 1 1 A 19 19 GLU H H 19 8.192 7.855 0.337 1
1 215 . 11 1 1 A 19 19 GLU HA H 19 3.942 4.053 -0.111 1
1 220 . 11 1 1 A 19 19 GLU C C 19 179.813 178.858 0.955 1
1 221 . 11 1 1 A 19 19 GLU CA C 19 59.577 58.972 0.605 1
1 222 . 11 1 1 A 19 19 GLU CB C 19 29.756 29.424 0.332 1
1 224 . 11 1 1 A 19 19 GLU N N 19 118.201 119.818 -1.617 1
1 225 . 11 1 1 A 20 20 LEU H H 20 8.128 8.013 0.115 1
1 226 . 11 1 1 A 20 20 LEU HA H 20 3.877 4.135 -0.258 1
1 233 . 11 1 1 A 20 20 LEU C C 20 178.906 178.809 0.097 1
1 234 . 11 1 1 A 20 20 LEU CA C 20 58.171 57.897 0.274 1
1 235 . 11 1 1 A 20 20 LEU CB C 20 41.496 41.830 -0.334 1
1 238 . 11 1 1 A 20 20 LEU N N 20 119.841 121.500 -1.659 1
1 239 . 11 1 1 A 21 21 VAL H H 21 9.063 8.369 0.694 1
1 240 . 11 1 1 A 21 21 VAL HA H 21 3.608 3.571 0.037 1
1 245 . 11 1 1 A 21 21 VAL C C 21 176.301 177.310 -1.009 1
1 246 . 11 1 1 A 21 21 VAL CA C 21 66.684 67.082 -0.398 1
1 247 . 11 1 1 A 21 21 VAL CB C 21 31.879 31.390 0.489 1
1 249 . 11 1 1 A 21 21 VAL N N 21 122.114 119.533 2.581 1
1 250 . 11 1 1 A 22 22 ASP H H 22 8.427 7.705 0.722 1
1 251 . 11 1 1 A 22 22 ASP HA H 22 4.276 4.544 -0.268 1
1 254 . 11 1 1 A 22 22 ASP C C 22 177.428 177.954 -0.526 1
1 255 . 11 1 1 A 22 22 ASP CA C 22 57.143 56.638 0.505 1
1 256 . 11 1 1 A 22 22 ASP CB C 22 40.015 41.025 -1.010 1
1 257 . 11 1 1 A 22 22 ASP N N 22 122.544 120.669 1.875 1
1 258 . 11 1 1 A 23 23 ALA H H 23 7.451 7.816 -0.365 1
1 259 . 11 1 1 A 23 23 ALA HA H 23 4.284 4.282 0.002 1
1 263 . 11 1 1 A 23 23 ALA C C 23 177.647 177.872 -0.225 1
1 264 . 11 1 1 A 23 23 ALA CA C 23 52.140 52.129 0.011 1
1 265 . 11 1 1 A 23 23 ALA CB C 23 19.094 19.728 -0.634 1
1 266 . 11 1 1 A 23 23 ALA N N 23 119.690 119.291 0.399 1
1 267 . 11 1 1 A 24 24 GLY H H 24 8.007 8.436 -0.429 1
1 268 . 11 1 1 A 24 24 GLY HA2 H 24 3.930 3.890 0.040 1
1 269 . 11 1 1 A 24 24 GLY HA3 H 24 3.786 3.907 -0.121 1
1 270 . 11 1 1 A 24 24 GLY C C 24 174.852 173.551 1.301 1
1 271 . 11 1 1 A 24 24 GLY CA C 24 45.939 46.403 -0.464 1
1 272 . 11 1 1 A 24 24 GLY N N 24 107.876 106.877 0.999 1
1 273 . 11 1 1 A 25 25 ILE H H 25 7.628 8.077 -0.449 1
1 274 . 11 1 1 A 25 25 ILE HA H 25 3.880 4.641 -0.761 1
1 281 . 11 1 1 A 25 25 ILE C C 25 174.954 174.092 0.862 1
1 282 . 11 1 1 A 25 25 ILE CA C 25 58.787 60.205 -1.418 1
1 283 . 11 1 1 A 25 25 ILE CB C 25 36.014 39.343 -3.329 1
1 286 . 11 1 1 A 25 25 ILE N N 25 121.226 119.860 1.366 1
1 287 . 11 1 1 A 26 26 ALA H H 26 8.454 8.652 -0.198 1
1 288 . 11 1 1 A 26 26 ALA HA H 26 4.164 4.157 0.007 1
1 292 . 11 1 1 A 26 26 ALA C C 26 178.921 178.688 0.233 1
1 293 . 11 1 1 A 26 26 ALA CA C 26 52.978 52.919 0.059 1
1 294 . 11 1 1 A 26 26 ALA CB C 26 19.648 19.393 0.255 1
1 295 . 11 1 1 A 26 26 ALA N N 26 127.062 125.372 1.690 1
1 296 . 11 1 1 A 27 27 GLU H H 27 8.652 8.699 -0.047 1
1 297 . 11 1 1 A 27 27 GLU HA H 27 3.728 3.940 -0.212 1
1 302 . 11 1 1 A 27 27 GLU C C 27 179.886 178.237 1.649 1
1 303 . 11 1 1 A 27 27 GLU CA C 27 59.830 59.877 -0.047 1
1 304 . 11 1 1 A 27 27 GLU CB C 27 29.682 29.299 0.383 1
1 306 . 11 1 1 A 27 27 GLU N N 27 122.104 124.873 -2.769 1
1 307 . 11 1 1 A 28 28 LYS H H 28 8.315 8.131 0.184 1
1 308 . 11 1 1 A 28 28 LYS HA H 28 3.789 4.018 -0.229 1
1 315 . 11 1 1 A 28 28 LYS C C 28 177.179 178.628 -1.449 1
1 316 . 11 1 1 A 28 28 LYS CA C 28 58.673 59.419 -0.746 1
1 317 . 11 1 1 A 28 28 LYS CB C 28 31.279 32.116 -0.837 1
1 320 . 11 1 1 A 28 28 LYS N N 28 119.368 118.742 0.626 1
1 321 . 11 1 1 A 29 29 TYR H H 29 7.372 8.035 -0.663 1
1 322 . 11 1 1 A 29 29 TYR HA H 29 4.448 4.296 0.152 1
1 329 . 11 1 1 A 29 29 TYR C C 29 177.413 178.429 -1.016 1
1 330 . 11 1 1 A 29 29 TYR CA C 29 59.246 61.073 -1.827 1
1 331 . 11 1 1 A 29 29 TYR CB C 29 38.528 37.616 0.912 1
1 336 . 11 1 1 A 29 29 TYR N N 29 116.907 118.832 -1.925 1
1 337 . 11 1 1 A 30 30 ILE H H 30 7.448 8.560 -1.112 1
1 338 . 11 1 1 A 30 30 ILE HA H 30 3.359 3.813 -0.454 1
1 345 . 11 1 1 A 30 30 ILE C C 30 177.662 178.011 -0.349 1
1 346 . 11 1 1 A 30 30 ILE CA C 30 65.541 64.033 1.508 1
1 347 . 11 1 1 A 30 30 ILE CB C 30 37.362 37.610 -0.248 1
1 350 . 11 1 1 A 30 30 ILE N N 30 120.953 120.512 0.441 1
1 351 . 11 1 1 A 31 31 LYS H H 31 7.835 8.145 -0.310 1
1 352 . 11 1 1 A 31 31 LYS HA H 31 3.831 4.065 -0.234 1
1 357 . 11 1 1 A 31 31 LYS C C 31 178.218 179.287 -1.069 1
1 358 . 11 1 1 A 31 31 LYS CA C 31 58.702 59.035 -0.333 1
1 359 . 11 1 1 A 31 31 LYS CB C 31 32.198 31.998 0.200 1
1 363 . 11 1 1 A 31 31 LYS N N 31 116.536 122.590 -6.054 1
1 364 . 11 1 1 A 32 32 LEU H H 32 7.335 7.646 -0.311 1
1 365 . 11 1 1 A 32 32 LEU HA H 32 3.905 3.910 -0.005 1
1 372 . 11 1 1 A 32 32 LEU C C 32 179.901 179.122 0.779 1
1 373 . 11 1 1 A 32 32 LEU CA C 32 57.366 57.882 -0.516 1
1 374 . 11 1 1 A 32 32 LEU CB C 32 41.550 41.085 0.465 1
1 377 . 11 1 1 A 32 32 LEU N N 32 117.191 118.390 -1.199 1
1 378 . 11 1 1 A 33 33 ILE H H 33 7.409 7.471 -0.062 1
1 379 . 11 1 1 A 33 33 ILE HA H 33 3.522 4.036 -0.514 1
1 389 . 11 1 1 A 33 33 ILE C C 33 177.354 178.218 -0.864 1
1 390 . 11 1 1 A 33 33 ILE CA C 33 62.128 63.587 -1.459 1
1 391 . 11 1 1 A 33 33 ILE CB C 33 35.578 37.967 -2.389 1
1 395 . 11 1 1 A 33 33 ILE N N 33 117.873 115.596 2.277 1
1 396 . 11 1 1 A 34 34 ALA H H 34 7.615 8.988 -1.373 1
1 397 . 11 1 1 A 34 34 ALA HA H 34 3.774 4.067 -0.293 1
1 401 . 11 1 1 A 34 34 ALA C C 34 178.789 179.884 -1.095 1
1 402 . 11 1 1 A 34 34 ALA CA C 34 54.717 54.852 -0.135 1
1 403 . 11 1 1 A 34 34 ALA CB C 34 18.384 18.468 -0.084 1
1 404 . 11 1 1 A 34 34 ALA N N 34 119.178 124.145 -4.967 1
1 405 . 11 1 1 A 35 35 ASN H H 35 7.354 8.055 -0.701 1
1 406 . 11 1 1 A 35 35 ASN HA H 35 4.572 4.686 -0.114 1
1 409 . 11 1 1 A 35 35 ASN C C 35 175.482 175.155 0.327 1
1 410 . 11 1 1 A 35 35 ASN CA C 35 52.835 53.832 -0.997 1
1 411 . 11 1 1 A 35 35 ASN CB C 35 39.178 39.131 0.047 1
1 412 . 11 1 1 A 35 35 ASN N N 35 113.033 116.877 -3.844 1
1 413 . 11 1 1 A 36 36 ALA H H 36 7.439 7.962 -0.523 1
1 414 . 11 1 1 A 36 36 ALA HA H 36 4.078 3.967 0.111 1
1 418 . 11 1 1 A 36 36 ALA C C 36 177.852 177.070 0.782 1
1 419 . 11 1 1 A 36 36 ALA CA C 36 53.179 54.062 -0.883 1
1 420 . 11 1 1 A 36 36 ALA CB C 36 19.460 17.956 1.504 1
1 421 . 11 1 1 A 36 36 ALA N N 36 123.843 121.354 2.489 1
1 422 . 11 1 1 A 37 37 LYS H H 37 8.739 8.840 -0.101 1
1 423 . 11 1 1 A 37 37 LYS HA H 37 4.238 4.338 -0.100 1
1 428 . 11 1 1 A 37 37 LYS C C 37 176.652 175.442 1.210 1
1 429 . 11 1 1 A 37 37 LYS CA C 37 56.659 57.990 -1.331 1
1 430 . 11 1 1 A 37 37 LYS CB C 37 34.979 32.431 2.548 1
1 434 . 11 1 1 A 37 37 LYS N N 37 117.112 119.101 -1.989 1
1 435 . 11 1 1 A 38 38 THR H H 38 7.340 7.815 -0.475 1
1 436 . 11 1 1 A 38 38 THR HA H 38 4.515 4.635 -0.120 1
1 440 . 11 1 1 A 38 38 THR C C 38 173.974 174.833 -0.859 1
1 441 . 11 1 1 A 38 38 THR CA C 38 58.511 61.172 -2.661 1
1 442 . 11 1 1 A 38 38 THR CB C 38 72.797 69.137 3.660 1
1 444 . 11 1 1 A 38 38 THR N N 38 106.407 114.583 -8.176 1
1 445 . 11 1 1 A 39 39 VAL H H 39 8.886 8.237 0.649 1
1 446 . 11 1 1 A 39 39 VAL HA H 39 2.956 3.868 -0.912 1
1 451 . 11 1 1 A 39 39 VAL C C 39 176.754 176.946 -0.192 1
1 452 . 11 1 1 A 39 39 VAL CA C 39 67.409 65.525 1.884 1
1 453 . 11 1 1 A 39 39 VAL CB C 39 30.821 31.872 -1.051 1
1 455 . 11 1 1 A 39 39 VAL N N 39 122.964 126.549 -3.585 1
1 456 . 11 1 1 A 40 40 GLU H H 40 8.839 8.326 0.513 1
1 457 . 11 1 1 A 40 40 GLU HA H 40 3.865 4.037 -0.172 1
1 462 . 11 1 1 A 40 40 GLU C C 40 179.345 179.181 0.164 1
1 463 . 11 1 1 A 40 40 GLU CA C 40 60.003 59.494 0.509 1
1 464 . 11 1 1 A 40 40 GLU CB C 40 28.676 29.235 -0.559 1
1 466 . 11 1 1 A 40 40 GLU N N 40 117.880 120.777 -2.897 1
1 467 . 11 1 1 A 41 41 GLY H H 41 8.095 8.374 -0.279 1
1 468 . 11 1 1 A 41 41 GLY HA2 H 41 3.931 3.744 0.187 1
1 469 . 11 1 1 A 41 41 GLY HA3 H 41 3.730 3.764 -0.034 1
1 470 . 11 1 1 A 41 41 GLY C C 41 176.271 175.642 0.629 1
1 471 . 11 1 1 A 41 41 GLY CA C 41 46.388 47.574 -1.186 1
1 472 . 11 1 1 A 41 41 GLY N N 41 108.686 108.341 0.345 1
1 473 . 11 1 1 A 42 42 VAL H H 42 7.772 9.069 -1.297 1
1 474 . 11 1 1 A 42 42 VAL HA H 42 3.087 3.790 -0.703 1
1 479 . 11 1 1 A 42 42 VAL C C 42 177.003 177.944 -0.941 1
1 480 . 11 1 1 A 42 42 VAL CA C 42 67.068 65.712 1.356 1
1 481 . 11 1 1 A 42 42 VAL CB C 42 30.987 31.641 -0.654 1
1 483 . 11 1 1 A 42 42 VAL N N 42 123.069 121.989 1.080 1
1 484 . 11 1 1 A 43 43 TRP H H 43 7.518 7.597 -0.079 1
1 485 . 11 1 1 A 43 43 TRP HA H 43 4.469 4.379 0.090 1
1 493 . 11 1 1 A 43 43 TRP C C 43 179.023 178.160 0.863 1
1 494 . 11 1 1 A 43 43 TRP CA C 43 59.134 60.408 -1.274 1
1 495 . 11 1 1 A 43 43 TRP CB C 43 29.437 29.598 -0.161 1
1 500 . 11 1 1 A 43 43 TRP N N 43 118.322 121.642 -3.320 1
1 502 . 11 1 1 A 44 44 THR H H 44 8.408 8.309 0.099 1
1 503 . 11 1 1 A 44 44 THR HA H 44 3.971 4.083 -0.112 1
1 508 . 11 1 1 A 44 44 THR C C 44 177.047 176.329 0.718 1
1 509 . 11 1 1 A 44 44 THR CA C 44 66.396 67.060 -0.664 1
1 510 . 11 1 1 A 44 44 THR CB C 44 69.069 69.010 0.059 1
1 512 . 11 1 1 A 44 44 THR N N 44 114.912 115.808 -0.896 1
1 513 . 11 1 1 A 45 45 LEU H H 45 7.862 9.533 -1.671 1
1 514 . 11 1 1 A 45 45 LEU HA H 45 3.584 4.025 -0.441 1
1 521 . 11 1 1 A 45 45 LEU C C 45 178.189 179.733 -1.544 1
1 522 . 11 1 1 A 45 45 LEU CA C 45 57.671 57.880 -0.209 1
1 523 . 11 1 1 A 45 45 LEU CB C 45 42.389 41.546 0.843 1
1 525 . 11 1 1 A 45 45 LEU N N 45 123.153 120.024 3.129 1
1 526 . 11 1 1 A 46 46 LYS H H 46 8.569 7.558 1.011 1
1 527 . 11 1 1 A 46 46 LYS HA H 46 3.587 4.054 -0.467 1
1 532 . 11 1 1 A 46 46 LYS C C 46 177.354 178.716 -1.362 1
1 533 . 11 1 1 A 46 46 LYS CA C 46 60.799 59.632 1.167 1
1 534 . 11 1 1 A 46 46 LYS CB C 46 30.790 31.975 -1.185 1
1 536 . 11 1 1 A 46 46 LYS N N 46 119.398 120.982 -1.584 1
1 537 . 11 1 1 A 47 47 ASP H H 47 7.694 7.959 -0.265 1
1 538 . 11 1 1 A 47 47 ASP HA H 47 4.325 4.254 0.071 1
1 541 . 11 1 1 A 47 47 ASP C C 47 179.023 178.488 0.535 1
1 542 . 11 1 1 A 47 47 ASP CA C 47 57.107 57.326 -0.219 1
1 543 . 11 1 1 A 47 47 ASP CB C 47 40.292 41.359 -1.067 1
1 544 . 11 1 1 A 47 47 ASP N N 47 116.887 119.478 -2.591 1
1 545 . 11 1 1 A 48 48 GLU H H 48 7.931 8.179 -0.248 1
1 546 . 11 1 1 A 48 48 GLU HA H 48 3.773 4.046 -0.273 1
1 551 . 11 1 1 A 48 48 GLU C C 48 179.125 178.355 0.770 1
1 552 . 11 1 1 A 48 48 GLU CA C 48 59.422 58.676 0.746 1
1 553 . 11 1 1 A 48 48 GLU CB C 48 29.598 29.536 0.062 1
1 555 . 11 1 1 A 48 48 GLU N N 48 121.719 119.001 2.718 1
1 556 . 11 1 1 A 49 49 ILE H H 49 8.553 8.779 -0.226 1
1 557 . 11 1 1 A 49 49 ILE HA H 49 3.424 3.535 -0.111 1
1 565 . 11 1 1 A 49 49 ILE C C 49 178.262 177.272 0.990 1
1 566 . 11 1 1 A 49 49 ILE CA C 49 64.372 62.965 1.407 1
1 567 . 11 1 1 A 49 49 ILE CB C 49 38.278 37.493 0.785 1
1 571 . 11 1 1 A 49 49 ILE N N 49 120.672 120.316 0.356 1
1 572 . 11 1 1 A 50 50 LEU H H 50 7.831 7.297 0.534 1
1 573 . 11 1 1 A 50 50 LEU HA H 50 3.795 4.137 -0.342 1
1 580 . 11 1 1 A 50 50 LEU C C 50 178.247 178.966 -0.719 1
1 581 . 11 1 1 A 50 50 LEU CA C 50 57.039 57.112 -0.073 1
1 582 . 11 1 1 A 50 50 LEU CB C 50 41.815 42.087 -0.272 1
1 585 . 11 1 1 A 50 50 LEU N N 50 117.810 122.072 -4.262 1
1 586 . 11 1 1 A 51 51 THR H H 51 7.560 8.123 -0.563 1
1 587 . 11 1 1 A 51 51 THR HA H 51 4.066 3.933 0.133 1
1 592 . 11 1 1 A 51 51 THR C C 51 175.276 175.387 -0.111 1
1 593 . 11 1 1 A 51 51 THR CA C 51 63.281 66.290 -3.009 1
1 594 . 11 1 1 A 51 51 THR CB C 51 69.695 68.435 1.260 1
1 596 . 11 1 1 A 51 51 THR N N 51 110.196 115.601 -5.405 1
1 597 . 11 1 1 A 52 52 PHE H H 52 7.744 7.745 -0.001 1
1 598 . 11 1 1 A 52 52 PHE HA H 52 4.484 4.538 -0.054 1
1 605 . 11 1 1 A 52 52 PHE C C 52 176.549 175.140 1.409 1
1 606 . 11 1 1 A 52 52 PHE CA C 52 57.742 58.320 -0.578 1
1 607 . 11 1 1 A 52 52 PHE CB C 52 37.819 39.642 -1.823 1
1 612 . 11 1 1 A 52 52 PHE N N 52 120.944 119.590 1.354 1
1 613 . 11 1 1 A 53 53 THR H H 53 8.028 7.516 0.512 1
1 614 . 11 1 1 A 53 53 THR HA H 53 4.085 4.232 -0.147 1
1 619 . 11 1 1 A 53 53 THR C C 53 174.471 172.305 2.166 1
1 620 . 11 1 1 A 53 53 THR CA C 53 62.330 60.767 1.563 1
1 621 . 11 1 1 A 53 53 THR CB C 53 69.725 69.156 0.569 1
1 623 . 11 1 1 A 53 53 THR N N 53 113.551 114.209 -0.658 1
1 624 . 11 1 1 A 54 54 VAL H H 54 7.827 7.758 0.069 1
1 625 . 11 1 1 A 54 54 VAL HA H 54 4.047 4.636 -0.589 1
1 630 . 11 1 1 A 54 54 VAL C C 54 176.067 174.443 1.624 1
1 631 . 11 1 1 A 54 54 VAL CA C 54 62.299 61.219 1.080 1
1 632 . 11 1 1 A 54 54 VAL CB C 54 32.633 34.633 -2.000 1
1 634 . 11 1 1 A 54 54 VAL N N 54 122.128 124.689 -2.561 1
1 635 . 11 1 1 A 55 55 THR H H 55 8.233 8.935 -0.702 1
1 636 . 11 1 1 A 55 55 THR HA H 55 4.212 4.822 -0.610 1
1 640 . 11 1 1 A 55 55 THR C C 55 173.647 172.860 0.787 1
1 641 . 11 1 1 A 55 55 THR CA C 55 61.620 59.641 1.979 1
1 642 . 11 1 1 A 55 55 THR CB C 55 69.862 68.894 0.968 1
1 644 . 11 1 1 A 55 55 THR N N 55 118.471 119.134 -0.663 1
1 3 . 12 1 1 A 2 2 THR H H 2 7.970 7.992 -0.022 1
1 4 . 12 1 1 A 2 2 THR HA H 2 4.183 4.103 0.080 1
1 9 . 12 1 1 A 2 2 THR C C 2 173.875 175.028 -1.153 1
1 10 . 12 1 1 A 2 2 THR CA C 2 61.768 65.187 -3.419 1
1 11 . 12 1 1 A 2 2 THR CB C 2 69.631 69.029 0.602 1
1 13 . 12 1 1 A 2 2 THR N N 2 128.423 114.559 13.864 1
1 14 . 12 1 1 A 3 3 TYR H H 3 8.247 8.057 0.190 1
1 15 . 12 1 1 A 3 3 TYR HA H 3 4.271 4.165 0.106 1
1 22 . 12 1 1 A 3 3 TYR C C 3 175.714 174.593 1.121 1
1 23 . 12 1 1 A 3 3 TYR CA C 3 58.145 58.904 -0.759 1
1 24 . 12 1 1 A 3 3 TYR CB C 3 38.753 36.450 2.303 1
1 27 . 12 1 1 A 3 3 TYR N N 3 123.871 119.853 4.018 1
1 28 . 12 1 1 A 4 4 LYS H H 4 8.009 7.737 0.272 1
1 29 . 12 1 1 A 4 4 LYS HA H 4 3.963 4.647 -0.684 1
1 36 . 12 1 1 A 4 4 LYS C C 4 175.979 174.174 1.805 1
1 37 . 12 1 1 A 4 4 LYS CA C 4 56.821 55.841 0.980 1
1 38 . 12 1 1 A 4 4 LYS CB C 4 32.981 34.548 -1.567 1
1 40 . 12 1 1 A 4 4 LYS N N 4 122.309 118.647 3.662 1
1 41 . 12 1 1 A 5 5 LEU H H 5 7.918 8.689 -0.771 1
1 42 . 12 1 1 A 5 5 LEU HA H 5 4.151 4.740 -0.589 1
1 49 . 12 1 1 A 5 5 LEU C C 5 176.945 176.837 0.108 1
1 50 . 12 1 1 A 5 5 LEU CA C 5 55.320 53.813 1.507 1
1 51 . 12 1 1 A 5 5 LEU CB C 5 42.054 41.990 0.064 1
1 55 . 12 1 1 A 5 5 LEU N N 5 121.830 127.940 -6.110 1
1 56 . 12 1 1 A 6 6 ILE H H 6 7.974 9.418 -1.444 1
1 57 . 12 1 1 A 6 6 ILE HA H 6 3.959 3.777 0.182 1
1 67 . 12 1 1 A 6 6 ILE C C 6 176.110 175.367 0.743 1
1 68 . 12 1 1 A 6 6 ILE CA C 6 61.287 63.003 -1.716 1
1 69 . 12 1 1 A 6 6 ILE CB C 6 38.228 35.999 2.229 1
1 73 . 12 1 1 A 6 6 ILE N N 6 121.898 124.928 -3.030 1
1 74 . 12 1 1 A 7 7 LEU H H 7 8.071 8.420 -0.349 1
1 75 . 12 1 1 A 7 7 LEU HA H 7 4.316 4.133 0.183 1
1 82 . 12 1 1 A 7 7 LEU C C 7 176.915 176.665 0.250 1
1 83 . 12 1 1 A 7 7 LEU CA C 7 55.177 57.267 -2.090 1
1 84 . 12 1 1 A 7 7 LEU CB C 7 43.080 40.931 2.149 1
1 86 . 12 1 1 A 7 7 LEU N N 7 125.296 117.746 7.550 1
1 87 . 12 1 1 A 8 8 ASN H H 8 8.021 8.868 -0.847 1
1 88 . 12 1 1 A 8 8 ASN HA H 8 4.570 5.021 -0.451 1
1 91 . 12 1 1 A 8 8 ASN C C 8 175.203 176.546 -1.343 1
1 92 . 12 1 1 A 8 8 ASN CA C 8 52.320 54.314 -1.994 1
1 93 . 12 1 1 A 8 8 ASN CB C 8 39.229 41.169 -1.940 1
1 94 . 12 1 1 A 8 8 ASN N N 8 117.805 120.866 -3.061 1
1 95 . 12 1 1 A 9 9 LEU H H 9 8.385 8.204 0.181 1
1 96 . 12 1 1 A 9 9 LEU HA H 9 3.718 4.102 -0.384 1
1 106 . 12 1 1 A 9 9 LEU C C 9 177.150 178.184 -1.034 1
1 107 . 12 1 1 A 9 9 LEU CA C 9 58.501 58.556 -0.055 1
1 108 . 12 1 1 A 9 9 LEU CB C 9 42.085 41.613 0.472 1
1 111 . 12 1 1 A 9 9 LEU N N 9 122.110 121.479 0.631 1
1 112 . 12 1 1 A 10 10 LYS H H 10 8.027 8.105 -0.078 1
1 113 . 12 1 1 A 10 10 LYS HA H 10 3.824 3.889 -0.065 1
1 118 . 12 1 1 A 10 10 LYS C C 10 178.555 179.042 -0.487 1
1 119 . 12 1 1 A 10 10 LYS CA C 10 59.893 59.628 0.265 1
1 120 . 12 1 1 A 10 10 LYS CB C 10 32.143 32.257 -0.114 1
1 123 . 12 1 1 A 10 10 LYS N N 10 118.739 118.593 0.146 1
1 124 . 12 1 1 A 11 11 GLN H H 11 7.574 7.726 -0.152 1
1 125 . 12 1 1 A 11 11 GLN HA H 11 3.984 4.165 -0.181 1
1 130 . 12 1 1 A 11 11 GLN C C 11 175.218 178.267 -3.049 1
1 131 . 12 1 1 A 11 11 GLN CA C 11 59.252 58.787 0.465 1
1 132 . 12 1 1 A 11 11 GLN CB C 11 29.579 28.471 1.108 1
1 134 . 12 1 1 A 11 11 GLN N N 11 117.396 118.252 -0.856 1
1 135 . 12 1 1 A 12 12 ALA H H 12 8.432 8.764 -0.332 1
1 136 . 12 1 1 A 12 12 ALA HA H 12 4.001 4.090 -0.089 1
1 140 . 12 1 1 A 12 12 ALA C C 12 179.374 180.313 -0.939 1
1 141 . 12 1 1 A 12 12 ALA CA C 12 55.373 55.092 0.281 1
1 142 . 12 1 1 A 12 12 ALA CB C 12 18.214 18.492 -0.278 1
1 143 . 12 1 1 A 12 12 ALA N N 12 122.547 122.584 -0.037 1
1 144 . 12 1 1 A 13 13 LYS H H 13 8.276 8.060 0.216 1
1 145 . 12 1 1 A 13 13 LYS HA H 13 3.404 4.158 -0.754 1
1 152 . 12 1 1 A 13 13 LYS C C 13 178.467 178.834 -0.367 1
1 153 . 12 1 1 A 13 13 LYS CA C 13 60.801 59.110 1.691 1
1 154 . 12 1 1 A 13 13 LYS CB C 13 33.111 32.290 0.821 1
1 157 . 12 1 1 A 13 13 LYS N N 13 116.459 117.551 -1.092 1
1 158 . 12 1 1 A 14 14 GLU H H 14 7.840 7.920 -0.080 1
1 159 . 12 1 1 A 14 14 GLU HA H 14 3.755 4.060 -0.305 1
1 164 . 12 1 1 A 14 14 GLU C C 14 177.720 178.560 -0.840 1
1 165 . 12 1 1 A 14 14 GLU CA C 14 59.737 59.568 0.169 1
1 166 . 12 1 1 A 14 14 GLU CB C 14 29.453 29.273 0.180 1
1 168 . 12 1 1 A 14 14 GLU N N 14 116.581 119.931 -3.350 1
1 169 . 12 1 1 A 15 15 GLU H H 15 8.269 8.200 0.069 1
1 170 . 12 1 1 A 15 15 GLU HA H 15 3.961 4.137 -0.176 1
1 175 . 12 1 1 A 15 15 GLU C C 15 178.438 178.911 -0.473 1
1 176 . 12 1 1 A 15 15 GLU CA C 15 58.383 59.006 -0.623 1
1 177 . 12 1 1 A 15 15 GLU CB C 15 28.994 29.258 -0.264 1
1 179 . 12 1 1 A 15 15 GLU N N 15 115.657 119.881 -4.224 1
1 180 . 12 1 1 A 16 16 ALA H H 16 8.500 7.644 0.856 1
1 181 . 12 1 1 A 16 16 ALA HA H 16 3.939 4.130 -0.191 1
1 185 . 12 1 1 A 16 16 ALA C C 16 179.330 180.073 -0.743 1
1 186 . 12 1 1 A 16 16 ALA CA C 16 55.401 54.943 0.458 1
1 187 . 12 1 1 A 16 16 ALA CB C 16 18.980 18.460 0.520 1
1 188 . 12 1 1 A 16 16 ALA N N 16 122.087 121.995 0.092 1
1 189 . 12 1 1 A 17 17 ILE H H 17 8.598 8.758 -0.160 1
1 190 . 12 1 1 A 17 17 ILE HA H 17 3.334 3.963 -0.629 1
1 195 . 12 1 1 A 17 17 ILE C C 17 177.120 177.977 -0.857 1
1 196 . 12 1 1 A 17 17 ILE CA C 17 66.876 63.331 3.545 1
1 197 . 12 1 1 A 17 17 ILE CB C 17 37.817 37.700 0.117 1
1 200 . 12 1 1 A 17 17 ILE N N 17 117.395 119.562 -2.167 1
1 201 . 12 1 1 A 18 18 LYS H H 18 7.633 7.698 -0.065 1
1 202 . 12 1 1 A 18 18 LYS HA H 18 3.748 4.066 -0.318 1
1 209 . 12 1 1 A 18 18 LYS C C 18 179.199 179.520 -0.321 1
1 210 . 12 1 1 A 18 18 LYS CA C 18 60.001 59.790 0.211 1
1 211 . 12 1 1 A 18 18 LYS CB C 18 32.538 32.139 0.399 1
1 213 . 12 1 1 A 18 18 LYS N N 18 119.143 122.655 -3.512 1
1 214 . 12 1 1 A 19 19 GLU H H 19 8.192 7.704 0.488 1
1 215 . 12 1 1 A 19 19 GLU HA H 19 3.942 4.098 -0.156 1
1 220 . 12 1 1 A 19 19 GLU C C 19 179.813 178.917 0.896 1
1 221 . 12 1 1 A 19 19 GLU CA C 19 59.577 59.066 0.511 1
1 222 . 12 1 1 A 19 19 GLU CB C 19 29.756 29.649 0.107 1
1 224 . 12 1 1 A 19 19 GLU N N 19 118.201 119.939 -1.738 1
1 225 . 12 1 1 A 20 20 LEU H H 20 8.128 8.027 0.101 1
1 226 . 12 1 1 A 20 20 LEU HA H 20 3.877 4.158 -0.281 1
1 233 . 12 1 1 A 20 20 LEU C C 20 178.906 178.843 0.063 1
1 234 . 12 1 1 A 20 20 LEU CA C 20 58.171 57.890 0.281 1
1 235 . 12 1 1 A 20 20 LEU CB C 20 41.496 41.820 -0.324 1
1 238 . 12 1 1 A 20 20 LEU N N 20 119.841 121.420 -1.579 1
1 239 . 12 1 1 A 21 21 VAL H H 21 9.063 8.235 0.828 1
1 240 . 12 1 1 A 21 21 VAL HA H 21 3.608 3.582 0.026 1
1 245 . 12 1 1 A 21 21 VAL C C 21 176.301 177.352 -1.051 1
1 246 . 12 1 1 A 21 21 VAL CA C 21 66.684 67.102 -0.418 1
1 247 . 12 1 1 A 21 21 VAL CB C 21 31.879 31.394 0.485 1
1 249 . 12 1 1 A 21 21 VAL N N 21 122.114 119.468 2.646 1
1 250 . 12 1 1 A 22 22 ASP H H 22 8.427 7.730 0.697 1
1 251 . 12 1 1 A 22 22 ASP HA H 22 4.276 4.476 -0.200 1
1 254 . 12 1 1 A 22 22 ASP C C 22 177.428 178.032 -0.604 1
1 255 . 12 1 1 A 22 22 ASP CA C 22 57.143 56.737 0.406 1
1 256 . 12 1 1 A 22 22 ASP CB C 22 40.015 41.046 -1.031 1
1 257 . 12 1 1 A 22 22 ASP N N 22 122.544 120.623 1.921 1
1 258 . 12 1 1 A 23 23 ALA H H 23 7.451 7.793 -0.342 1
1 259 . 12 1 1 A 23 23 ALA HA H 23 4.284 4.295 -0.011 1
1 263 . 12 1 1 A 23 23 ALA C C 23 177.647 177.763 -0.116 1
1 264 . 12 1 1 A 23 23 ALA CA C 23 52.140 52.135 0.005 1
1 265 . 12 1 1 A 23 23 ALA CB C 23 19.094 19.686 -0.592 1
1 266 . 12 1 1 A 23 23 ALA N N 23 119.690 119.056 0.634 1
1 267 . 12 1 1 A 24 24 GLY H H 24 8.007 8.436 -0.429 1
1 268 . 12 1 1 A 24 24 GLY HA2 H 24 3.930 3.922 0.008 1
1 269 . 12 1 1 A 24 24 GLY HA3 H 24 3.786 3.939 -0.153 1
1 270 . 12 1 1 A 24 24 GLY C C 24 174.852 173.710 1.142 1
1 271 . 12 1 1 A 24 24 GLY CA C 24 45.939 46.883 -0.944 1
1 272 . 12 1 1 A 24 24 GLY N N 24 107.876 107.045 0.831 1
1 273 . 12 1 1 A 25 25 ILE H H 25 7.628 7.756 -0.128 1
1 274 . 12 1 1 A 25 25 ILE HA H 25 3.880 4.782 -0.902 1
1 281 . 12 1 1 A 25 25 ILE C C 25 174.954 174.489 0.465 1
1 282 . 12 1 1 A 25 25 ILE CA C 25 58.787 59.296 -0.509 1
1 283 . 12 1 1 A 25 25 ILE CB C 25 36.014 39.899 -3.885 1
1 286 . 12 1 1 A 25 25 ILE N N 25 121.226 117.893 3.333 1
1 287 . 12 1 1 A 26 26 ALA H H 26 8.454 8.644 -0.190 1
1 288 . 12 1 1 A 26 26 ALA HA H 26 4.164 4.182 -0.018 1
1 292 . 12 1 1 A 26 26 ALA C C 26 178.921 178.813 0.108 1
1 293 . 12 1 1 A 26 26 ALA CA C 26 52.978 52.517 0.461 1
1 294 . 12 1 1 A 26 26 ALA CB C 26 19.648 19.111 0.537 1
1 295 . 12 1 1 A 26 26 ALA N N 26 127.062 125.419 1.643 1
1 296 . 12 1 1 A 27 27 GLU H H 27 8.652 8.753 -0.101 1
1 297 . 12 1 1 A 27 27 GLU HA H 27 3.728 3.988 -0.260 1
1 302 . 12 1 1 A 27 27 GLU C C 27 179.886 178.456 1.430 1
1 303 . 12 1 1 A 27 27 GLU CA C 27 59.830 59.885 -0.055 1
1 304 . 12 1 1 A 27 27 GLU CB C 27 29.682 29.268 0.414 1
1 306 . 12 1 1 A 27 27 GLU N N 27 122.104 124.996 -2.892 1
1 307 . 12 1 1 A 28 28 LYS H H 28 8.315 8.131 0.184 1
1 308 . 12 1 1 A 28 28 LYS HA H 28 3.789 4.014 -0.225 1
1 315 . 12 1 1 A 28 28 LYS C C 28 177.179 178.723 -1.544 1
1 316 . 12 1 1 A 28 28 LYS CA C 28 58.673 59.371 -0.698 1
1 317 . 12 1 1 A 28 28 LYS CB C 28 31.279 32.143 -0.864 1
1 320 . 12 1 1 A 28 28 LYS N N 28 119.368 119.980 -0.612 1
1 321 . 12 1 1 A 29 29 TYR H H 29 7.372 8.202 -0.830 1
1 322 . 12 1 1 A 29 29 TYR HA H 29 4.448 4.327 0.121 1
1 329 . 12 1 1 A 29 29 TYR C C 29 177.413 178.386 -0.973 1
1 330 . 12 1 1 A 29 29 TYR CA C 29 59.246 61.187 -1.941 1
1 331 . 12 1 1 A 29 29 TYR CB C 29 38.528 37.607 0.921 1
1 336 . 12 1 1 A 29 29 TYR N N 29 116.907 118.891 -1.984 1
1 337 . 12 1 1 A 30 30 ILE H H 30 7.448 8.578 -1.130 1
1 338 . 12 1 1 A 30 30 ILE HA H 30 3.359 3.866 -0.507 1
1 345 . 12 1 1 A 30 30 ILE C C 30 177.662 177.924 -0.262 1
1 346 . 12 1 1 A 30 30 ILE CA C 30 65.541 63.678 1.863 1
1 347 . 12 1 1 A 30 30 ILE CB C 30 37.362 37.702 -0.340 1
1 350 . 12 1 1 A 30 30 ILE N N 30 120.953 120.932 0.021 1
1 351 . 12 1 1 A 31 31 LYS H H 31 7.835 8.154 -0.319 1
1 352 . 12 1 1 A 31 31 LYS HA H 31 3.831 4.091 -0.260 1
1 357 . 12 1 1 A 31 31 LYS C C 31 178.218 178.951 -0.733 1
1 358 . 12 1 1 A 31 31 LYS CA C 31 58.702 59.059 -0.357 1
1 359 . 12 1 1 A 31 31 LYS CB C 31 32.198 31.904 0.294 1
1 363 . 12 1 1 A 31 31 LYS N N 31 116.536 122.402 -5.866 1
1 364 . 12 1 1 A 32 32 LEU H H 32 7.335 7.745 -0.410 1
1 365 . 12 1 1 A 32 32 LEU HA H 32 3.905 3.940 -0.035 1
1 372 . 12 1 1 A 32 32 LEU C C 32 179.901 179.516 0.385 1
1 373 . 12 1 1 A 32 32 LEU CA C 32 57.366 57.982 -0.616 1
1 374 . 12 1 1 A 32 32 LEU CB C 32 41.550 41.503 0.047 1
1 377 . 12 1 1 A 32 32 LEU N N 32 117.191 118.706 -1.515 1
1 378 . 12 1 1 A 33 33 ILE H H 33 7.409 7.451 -0.042 1
1 379 . 12 1 1 A 33 33 ILE HA H 33 3.522 3.992 -0.470 1
1 389 . 12 1 1 A 33 33 ILE C C 33 177.354 178.225 -0.871 1
1 390 . 12 1 1 A 33 33 ILE CA C 33 62.128 63.636 -1.508 1
1 391 . 12 1 1 A 33 33 ILE CB C 33 35.578 37.860 -2.282 1
1 395 . 12 1 1 A 33 33 ILE N N 33 117.873 114.004 3.869 1
1 396 . 12 1 1 A 34 34 ALA H H 34 7.615 9.025 -1.410 1
1 397 . 12 1 1 A 34 34 ALA HA H 34 3.774 4.074 -0.300 1
1 401 . 12 1 1 A 34 34 ALA C C 34 178.789 180.322 -1.533 1
1 402 . 12 1 1 A 34 34 ALA CA C 34 54.717 54.794 -0.077 1
1 403 . 12 1 1 A 34 34 ALA CB C 34 18.384 18.203 0.181 1
1 404 . 12 1 1 A 34 34 ALA N N 34 119.178 124.027 -4.849 1
1 405 . 12 1 1 A 35 35 ASN H H 35 7.354 8.153 -0.799 1
1 406 . 12 1 1 A 35 35 ASN HA H 35 4.572 4.593 -0.021 1
1 409 . 12 1 1 A 35 35 ASN C C 35 175.482 175.099 0.383 1
1 410 . 12 1 1 A 35 35 ASN CA C 35 52.835 54.886 -2.051 1
1 411 . 12 1 1 A 35 35 ASN CB C 35 39.178 39.054 0.124 1
1 412 . 12 1 1 A 35 35 ASN N N 35 113.033 117.184 -4.151 1
1 413 . 12 1 1 A 36 36 ALA H H 36 7.439 7.833 -0.394 1
1 414 . 12 1 1 A 36 36 ALA HA H 36 4.078 3.972 0.106 1
1 418 . 12 1 1 A 36 36 ALA C C 36 177.852 177.076 0.776 1
1 419 . 12 1 1 A 36 36 ALA CA C 36 53.179 54.043 -0.864 1
1 420 . 12 1 1 A 36 36 ALA CB C 36 19.460 17.943 1.517 1
1 421 . 12 1 1 A 36 36 ALA N N 36 123.843 120.956 2.887 1
1 422 . 12 1 1 A 37 37 LYS H H 37 8.739 8.710 0.029 1
1 423 . 12 1 1 A 37 37 LYS HA H 37 4.238 4.312 -0.074 1
1 428 . 12 1 1 A 37 37 LYS C C 37 176.652 175.293 1.359 1
1 429 . 12 1 1 A 37 37 LYS CA C 37 56.659 57.772 -1.113 1
1 430 . 12 1 1 A 37 37 LYS CB C 37 34.979 32.158 2.821 1
1 434 . 12 1 1 A 37 37 LYS N N 37 117.112 118.050 -0.938 1
1 435 . 12 1 1 A 38 38 THR H H 38 7.340 7.515 -0.175 1
1 436 . 12 1 1 A 38 38 THR HA H 38 4.515 4.687 -0.172 1
1 440 . 12 1 1 A 38 38 THR C C 38 173.974 174.725 -0.751 1
1 441 . 12 1 1 A 38 38 THR CA C 38 58.511 59.561 -1.050 1
1 442 . 12 1 1 A 38 38 THR CB C 38 72.797 68.959 3.838 1
1 444 . 12 1 1 A 38 38 THR N N 38 106.407 109.527 -3.120 1
1 445 . 12 1 1 A 39 39 VAL H H 39 8.886 8.202 0.684 1
1 446 . 12 1 1 A 39 39 VAL HA H 39 2.956 3.882 -0.926 1
1 451 . 12 1 1 A 39 39 VAL C C 39 176.754 177.402 -0.648 1
1 452 . 12 1 1 A 39 39 VAL CA C 39 67.409 65.586 1.823 1
1 453 . 12 1 1 A 39 39 VAL CB C 39 30.821 32.000 -1.179 1
1 455 . 12 1 1 A 39 39 VAL N N 39 122.964 123.719 -0.755 1
1 456 . 12 1 1 A 40 40 GLU H H 40 8.839 8.288 0.551 1
1 457 . 12 1 1 A 40 40 GLU HA H 40 3.865 4.413 -0.548 1
1 462 . 12 1 1 A 40 40 GLU C C 40 179.345 179.387 -0.042 1
1 463 . 12 1 1 A 40 40 GLU CA C 40 60.003 59.397 0.606 1
1 464 . 12 1 1 A 40 40 GLU CB C 40 28.676 29.241 -0.565 1
1 466 . 12 1 1 A 40 40 GLU N N 40 117.880 121.147 -3.267 1
1 467 . 12 1 1 A 41 41 GLY H H 41 8.095 8.044 0.051 1
1 468 . 12 1 1 A 41 41 GLY HA2 H 41 3.931 3.414 0.517 1
1 469 . 12 1 1 A 41 41 GLY HA3 H 41 3.730 3.578 0.152 1
1 470 . 12 1 1 A 41 41 GLY C C 41 176.271 175.484 0.787 1
1 471 . 12 1 1 A 41 41 GLY CA C 41 46.388 47.263 -0.875 1
1 472 . 12 1 1 A 41 41 GLY N N 41 108.686 110.162 -1.476 1
1 473 . 12 1 1 A 42 42 VAL H H 42 7.772 9.003 -1.231 1
1 474 . 12 1 1 A 42 42 VAL HA H 42 3.087 3.711 -0.624 1
1 479 . 12 1 1 A 42 42 VAL C C 42 177.003 178.353 -1.350 1
1 480 . 12 1 1 A 42 42 VAL CA C 42 67.068 65.832 1.236 1
1 481 . 12 1 1 A 42 42 VAL CB C 42 30.987 31.700 -0.713 1
1 483 . 12 1 1 A 42 42 VAL N N 42 123.069 121.669 1.400 1
1 484 . 12 1 1 A 43 43 TRP H H 43 7.518 7.839 -0.321 1
1 485 . 12 1 1 A 43 43 TRP HA H 43 4.469 4.593 -0.124 1
1 493 . 12 1 1 A 43 43 TRP C C 43 179.023 179.062 -0.039 1
1 494 . 12 1 1 A 43 43 TRP CA C 43 59.134 58.834 0.300 1
1 495 . 12 1 1 A 43 43 TRP CB C 43 29.437 28.136 1.301 1
1 500 . 12 1 1 A 43 43 TRP N N 43 118.322 119.766 -1.444 1
1 502 . 12 1 1 A 44 44 THR H H 44 8.408 7.260 1.148 1
1 503 . 12 1 1 A 44 44 THR HA H 44 3.971 3.591 0.380 1
1 508 . 12 1 1 A 44 44 THR C C 44 177.047 176.724 0.323 1
1 509 . 12 1 1 A 44 44 THR CA C 44 66.396 66.412 -0.016 1
1 510 . 12 1 1 A 44 44 THR CB C 44 69.069 67.785 1.284 1
1 512 . 12 1 1 A 44 44 THR N N 44 114.912 115.867 -0.955 1
1 513 . 12 1 1 A 45 45 LEU H H 45 7.862 9.639 -1.777 1
1 514 . 12 1 1 A 45 45 LEU HA H 45 3.584 3.996 -0.412 1
1 521 . 12 1 1 A 45 45 LEU C C 45 178.189 179.774 -1.585 1
1 522 . 12 1 1 A 45 45 LEU CA C 45 57.671 57.827 -0.156 1
1 523 . 12 1 1 A 45 45 LEU CB C 45 42.389 40.907 1.482 1
1 525 . 12 1 1 A 45 45 LEU N N 45 123.153 121.223 1.930 1
1 526 . 12 1 1 A 46 46 LYS H H 46 8.569 7.631 0.938 1
1 527 . 12 1 1 A 46 46 LYS HA H 46 3.587 4.188 -0.601 1
1 532 . 12 1 1 A 46 46 LYS C C 46 177.354 178.899 -1.545 1
1 533 . 12 1 1 A 46 46 LYS CA C 46 60.799 59.761 1.038 1
1 534 . 12 1 1 A 46 46 LYS CB C 46 30.790 32.296 -1.506 1
1 536 . 12 1 1 A 46 46 LYS N N 46 119.398 121.038 -1.640 1
1 537 . 12 1 1 A 47 47 ASP H H 47 7.694 8.291 -0.597 1
1 538 . 12 1 1 A 47 47 ASP HA H 47 4.325 4.439 -0.114 1
1 541 . 12 1 1 A 47 47 ASP C C 47 179.023 178.586 0.437 1
1 542 . 12 1 1 A 47 47 ASP CA C 47 57.107 56.830 0.277 1
1 543 . 12 1 1 A 47 47 ASP CB C 47 40.292 40.890 -0.598 1
1 544 . 12 1 1 A 47 47 ASP N N 47 116.887 119.287 -2.400 1
1 545 . 12 1 1 A 48 48 GLU H H 48 7.931 7.865 0.066 1
1 546 . 12 1 1 A 48 48 GLU HA H 48 3.773 4.113 -0.340 1
1 551 . 12 1 1 A 48 48 GLU C C 48 179.125 178.506 0.619 1
1 552 . 12 1 1 A 48 48 GLU CA C 48 59.422 58.634 0.788 1
1 553 . 12 1 1 A 48 48 GLU CB C 48 29.598 29.658 -0.060 1
1 555 . 12 1 1 A 48 48 GLU N N 48 121.719 118.730 2.989 1
1 556 . 12 1 1 A 49 49 ILE H H 49 8.553 8.805 -0.252 1
1 557 . 12 1 1 A 49 49 ILE HA H 49 3.424 3.663 -0.239 1
1 565 . 12 1 1 A 49 49 ILE C C 49 178.262 177.311 0.951 1
1 566 . 12 1 1 A 49 49 ILE CA C 49 64.372 62.838 1.534 1
1 567 . 12 1 1 A 49 49 ILE CB C 49 38.278 37.439 0.839 1
1 571 . 12 1 1 A 49 49 ILE N N 49 120.672 120.454 0.218 1
1 572 . 12 1 1 A 50 50 LEU H H 50 7.831 7.712 0.119 1
1 573 . 12 1 1 A 50 50 LEU HA H 50 3.795 4.165 -0.370 1
1 580 . 12 1 1 A 50 50 LEU C C 50 178.247 178.944 -0.697 1
1 581 . 12 1 1 A 50 50 LEU CA C 50 57.039 57.367 -0.328 1
1 582 . 12 1 1 A 50 50 LEU CB C 50 41.815 42.119 -0.304 1
1 585 . 12 1 1 A 50 50 LEU N N 50 117.810 122.256 -4.446 1
1 586 . 12 1 1 A 51 51 THR H H 51 7.560 8.091 -0.531 1
1 587 . 12 1 1 A 51 51 THR HA H 51 4.066 3.932 0.134 1
1 592 . 12 1 1 A 51 51 THR C C 51 175.276 175.618 -0.342 1
1 593 . 12 1 1 A 51 51 THR CA C 51 63.281 66.607 -3.326 1
1 594 . 12 1 1 A 51 51 THR CB C 51 69.695 68.282 1.413 1
1 596 . 12 1 1 A 51 51 THR N N 51 110.196 115.545 -5.349 1
1 597 . 12 1 1 A 52 52 PHE H H 52 7.744 7.797 -0.053 1
1 598 . 12 1 1 A 52 52 PHE HA H 52 4.484 4.532 -0.048 1
1 605 . 12 1 1 A 52 52 PHE C C 52 176.549 175.381 1.168 1
1 606 . 12 1 1 A 52 52 PHE CA C 52 57.742 58.285 -0.543 1
1 607 . 12 1 1 A 52 52 PHE CB C 52 37.819 38.956 -1.137 1
1 612 . 12 1 1 A 52 52 PHE N N 52 120.944 119.735 1.209 1
1 613 . 12 1 1 A 53 53 THR H H 53 8.028 7.734 0.294 1
1 614 . 12 1 1 A 53 53 THR HA H 53 4.085 4.222 -0.137 1
1 619 . 12 1 1 A 53 53 THR C C 53 174.471 172.308 2.163 1
1 620 . 12 1 1 A 53 53 THR CA C 53 62.330 60.702 1.628 1
1 621 . 12 1 1 A 53 53 THR CB C 53 69.725 69.181 0.544 1
1 623 . 12 1 1 A 53 53 THR N N 53 113.551 114.176 -0.625 1
1 624 . 12 1 1 A 54 54 VAL H H 54 7.827 8.287 -0.460 1
1 625 . 12 1 1 A 54 54 VAL HA H 54 4.047 4.392 -0.345 1
1 630 . 12 1 1 A 54 54 VAL C C 54 176.067 176.014 0.053 1
1 631 . 12 1 1 A 54 54 VAL CA C 54 62.299 61.171 1.128 1
1 632 . 12 1 1 A 54 54 VAL CB C 54 32.633 33.617 -0.984 1
1 634 . 12 1 1 A 54 54 VAL N N 54 122.128 124.458 -2.330 1
1 635 . 12 1 1 A 55 55 THR H H 55 8.233 8.846 -0.613 1
1 636 . 12 1 1 A 55 55 THR HA H 55 4.212 4.178 0.034 1
1 640 . 12 1 1 A 55 55 THR C C 55 173.647 173.915 -0.268 1
1 641 . 12 1 1 A 55 55 THR CA C 55 61.620 64.379 -2.759 1
1 642 . 12 1 1 A 55 55 THR CB C 55 69.862 68.294 1.568 1
1 644 . 12 1 1 A 55 55 THR N N 55 118.471 122.002 -3.531 1
1 3 . 13 1 1 A 2 2 THR H H 2 7.970 7.975 -0.005 1
1 4 . 13 1 1 A 2 2 THR HA H 2 4.183 4.512 -0.329 1
1 9 . 13 1 1 A 2 2 THR C C 2 173.875 175.263 -1.388 1
1 10 . 13 1 1 A 2 2 THR CA C 2 61.768 62.391 -0.623 1
1 11 . 13 1 1 A 2 2 THR CB C 2 69.631 70.497 -0.866 1
1 13 . 13 1 1 A 2 2 THR N N 2 128.423 111.910 16.513 1
1 14 . 13 1 1 A 3 3 TYR H H 3 8.247 8.236 0.011 1
1 15 . 13 1 1 A 3 3 TYR HA H 3 4.271 4.228 0.043 1
1 22 . 13 1 1 A 3 3 TYR C C 3 175.714 174.811 0.903 1
1 23 . 13 1 1 A 3 3 TYR CA C 3 58.145 59.020 -0.875 1
1 24 . 13 1 1 A 3 3 TYR CB C 3 38.753 35.986 2.767 1
1 27 . 13 1 1 A 3 3 TYR N N 3 123.871 117.141 6.730 1
1 28 . 13 1 1 A 4 4 LYS H H 4 8.009 7.850 0.159 1
1 29 . 13 1 1 A 4 4 LYS HA H 4 3.963 4.662 -0.699 1
1 36 . 13 1 1 A 4 4 LYS C C 4 175.979 176.275 -0.296 1
1 37 . 13 1 1 A 4 4 LYS CA C 4 56.821 57.497 -0.676 1
1 38 . 13 1 1 A 4 4 LYS CB C 4 32.981 35.286 -2.305 1
1 40 . 13 1 1 A 4 4 LYS N N 4 122.309 118.129 4.180 1
1 41 . 13 1 1 A 5 5 LEU H H 5 7.918 8.197 -0.279 1
1 42 . 13 1 1 A 5 5 LEU HA H 5 4.151 4.446 -0.295 1
1 49 . 13 1 1 A 5 5 LEU C C 5 176.945 175.980 0.965 1
1 50 . 13 1 1 A 5 5 LEU CA C 5 55.320 56.407 -1.087 1
1 51 . 13 1 1 A 5 5 LEU CB C 5 42.054 41.016 1.038 1
1 55 . 13 1 1 A 5 5 LEU N N 5 121.830 118.629 3.201 1
1 56 . 13 1 1 A 6 6 ILE H H 6 7.974 8.367 -0.393 1
1 57 . 13 1 1 A 6 6 ILE HA H 6 3.959 4.323 -0.364 1
1 67 . 13 1 1 A 6 6 ILE C C 6 176.110 176.002 0.108 1
1 68 . 13 1 1 A 6 6 ILE CA C 6 61.287 62.373 -1.086 1
1 69 . 13 1 1 A 6 6 ILE CB C 6 38.228 40.664 -2.436 1
1 73 . 13 1 1 A 6 6 ILE N N 6 121.898 124.063 -2.165 1
1 74 . 13 1 1 A 7 7 LEU H H 7 8.071 8.152 -0.081 1
1 75 . 13 1 1 A 7 7 LEU HA H 7 4.316 4.000 0.316 1
1 82 . 13 1 1 A 7 7 LEU C C 7 176.915 176.321 0.594 1
1 83 . 13 1 1 A 7 7 LEU CA C 7 55.177 56.882 -1.705 1
1 84 . 13 1 1 A 7 7 LEU CB C 7 43.080 40.508 2.572 1
1 86 . 13 1 1 A 7 7 LEU N N 7 125.296 122.102 3.194 1
1 87 . 13 1 1 A 8 8 ASN H H 8 8.021 8.456 -0.435 1
1 88 . 13 1 1 A 8 8 ASN HA H 8 4.570 4.439 0.131 1
1 91 . 13 1 1 A 8 8 ASN C C 8 175.203 175.643 -0.440 1
1 92 . 13 1 1 A 8 8 ASN CA C 8 52.320 54.534 -2.214 1
1 93 . 13 1 1 A 8 8 ASN CB C 8 39.229 37.784 1.445 1
1 94 . 13 1 1 A 8 8 ASN N N 8 117.805 115.786 2.019 1
1 95 . 13 1 1 A 9 9 LEU H H 9 8.385 7.273 1.112 1
1 96 . 13 1 1 A 9 9 LEU HA H 9 3.718 4.234 -0.516 1
1 106 . 13 1 1 A 9 9 LEU C C 9 177.150 178.546 -1.396 1
1 107 . 13 1 1 A 9 9 LEU CA C 9 58.501 57.275 1.226 1
1 108 . 13 1 1 A 9 9 LEU CB C 9 42.085 42.295 -0.210 1
1 111 . 13 1 1 A 9 9 LEU N N 9 122.110 120.625 1.485 1
1 112 . 13 1 1 A 10 10 LYS H H 10 8.027 8.135 -0.108 1
1 113 . 13 1 1 A 10 10 LYS HA H 10 3.824 3.880 -0.056 1
1 118 . 13 1 1 A 10 10 LYS C C 10 178.555 178.557 -0.002 1
1 119 . 13 1 1 A 10 10 LYS CA C 10 59.893 59.789 0.104 1
1 120 . 13 1 1 A 10 10 LYS CB C 10 32.143 32.199 -0.056 1
1 123 . 13 1 1 A 10 10 LYS N N 10 118.739 118.783 -0.044 1
1 124 . 13 1 1 A 11 11 GLN H H 11 7.574 7.895 -0.321 1
1 125 . 13 1 1 A 11 11 GLN HA H 11 3.984 4.121 -0.137 1
1 130 . 13 1 1 A 11 11 GLN C C 11 175.218 178.183 -2.965 1
1 131 . 13 1 1 A 11 11 GLN CA C 11 59.252 58.624 0.628 1
1 132 . 13 1 1 A 11 11 GLN CB C 11 29.579 28.763 0.816 1
1 134 . 13 1 1 A 11 11 GLN N N 11 117.396 119.544 -2.148 1
1 135 . 13 1 1 A 12 12 ALA H H 12 8.432 8.147 0.285 1
1 136 . 13 1 1 A 12 12 ALA HA H 12 4.001 4.277 -0.276 1
1 140 . 13 1 1 A 12 12 ALA C C 12 179.374 180.194 -0.820 1
1 141 . 13 1 1 A 12 12 ALA CA C 12 55.373 55.079 0.294 1
1 142 . 13 1 1 A 12 12 ALA CB C 12 18.214 18.595 -0.381 1
1 143 . 13 1 1 A 12 12 ALA N N 12 122.547 122.494 0.053 1
1 144 . 13 1 1 A 13 13 LYS H H 13 8.276 7.943 0.333 1
1 145 . 13 1 1 A 13 13 LYS HA H 13 3.404 4.116 -0.712 1
1 152 . 13 1 1 A 13 13 LYS C C 13 178.467 179.181 -0.714 1
1 153 . 13 1 1 A 13 13 LYS CA C 13 60.801 59.089 1.712 1
1 154 . 13 1 1 A 13 13 LYS CB C 13 33.111 32.270 0.841 1
1 157 . 13 1 1 A 13 13 LYS N N 13 116.459 117.513 -1.054 1
1 158 . 13 1 1 A 14 14 GLU H H 14 7.840 8.075 -0.235 1
1 159 . 13 1 1 A 14 14 GLU HA H 14 3.755 4.024 -0.269 1
1 164 . 13 1 1 A 14 14 GLU C C 14 177.720 179.290 -1.570 1
1 165 . 13 1 1 A 14 14 GLU CA C 14 59.737 59.526 0.211 1
1 166 . 13 1 1 A 14 14 GLU CB C 14 29.453 29.208 0.245 1
1 168 . 13 1 1 A 14 14 GLU N N 14 116.581 119.785 -3.204 1
1 169 . 13 1 1 A 15 15 GLU H H 15 8.269 8.713 -0.444 1
1 170 . 13 1 1 A 15 15 GLU HA H 15 3.961 4.044 -0.083 1
1 175 . 13 1 1 A 15 15 GLU C C 15 178.438 178.552 -0.114 1
1 176 . 13 1 1 A 15 15 GLU CA C 15 58.383 59.367 -0.984 1
1 177 . 13 1 1 A 15 15 GLU CB C 15 28.994 29.277 -0.283 1
1 179 . 13 1 1 A 15 15 GLU N N 15 115.657 120.181 -4.524 1
1 180 . 13 1 1 A 16 16 ALA H H 16 8.500 7.592 0.908 1
1 181 . 13 1 1 A 16 16 ALA HA H 16 3.939 4.007 -0.068 1
1 185 . 13 1 1 A 16 16 ALA C C 16 179.330 180.017 -0.687 1
1 186 . 13 1 1 A 16 16 ALA CA C 16 55.401 54.998 0.403 1
1 187 . 13 1 1 A 16 16 ALA CB C 16 18.980 18.516 0.464 1
1 188 . 13 1 1 A 16 16 ALA N N 16 122.087 121.678 0.409 1
1 189 . 13 1 1 A 17 17 ILE H H 17 8.598 8.353 0.245 1
1 190 . 13 1 1 A 17 17 ILE HA H 17 3.334 3.604 -0.270 1
1 195 . 13 1 1 A 17 17 ILE C C 17 177.120 177.930 -0.810 1
1 196 . 13 1 1 A 17 17 ILE CA C 17 66.876 65.537 1.339 1
1 197 . 13 1 1 A 17 17 ILE CB C 17 37.817 37.766 0.051 1
1 200 . 13 1 1 A 17 17 ILE N N 17 117.395 118.940 -1.545 1
1 201 . 13 1 1 A 18 18 LYS H H 18 7.633 7.732 -0.099 1
1 202 . 13 1 1 A 18 18 LYS HA H 18 3.748 3.940 -0.192 1
1 209 . 13 1 1 A 18 18 LYS C C 18 179.199 179.766 -0.567 1
1 210 . 13 1 1 A 18 18 LYS CA C 18 60.001 59.947 0.054 1
1 211 . 13 1 1 A 18 18 LYS CB C 18 32.538 32.054 0.484 1
1 213 . 13 1 1 A 18 18 LYS N N 18 119.143 118.613 0.530 1
1 214 . 13 1 1 A 19 19 GLU H H 19 8.192 7.905 0.287 1
1 215 . 13 1 1 A 19 19 GLU HA H 19 3.942 4.026 -0.084 1
1 220 . 13 1 1 A 19 19 GLU C C 19 179.813 178.954 0.859 1
1 221 . 13 1 1 A 19 19 GLU CA C 19 59.577 59.182 0.395 1
1 222 . 13 1 1 A 19 19 GLU CB C 19 29.756 29.218 0.538 1
1 224 . 13 1 1 A 19 19 GLU N N 19 118.201 119.802 -1.601 1
1 225 . 13 1 1 A 20 20 LEU H H 20 8.128 7.724 0.404 1
1 226 . 13 1 1 A 20 20 LEU HA H 20 3.877 4.180 -0.303 1
1 233 . 13 1 1 A 20 20 LEU C C 20 178.906 178.851 0.055 1
1 234 . 13 1 1 A 20 20 LEU CA C 20 58.171 57.511 0.660 1
1 235 . 13 1 1 A 20 20 LEU CB C 20 41.496 41.665 -0.169 1
1 238 . 13 1 1 A 20 20 LEU N N 20 119.841 121.635 -1.794 1
1 239 . 13 1 1 A 21 21 VAL H H 21 9.063 8.375 0.688 1
1 240 . 13 1 1 A 21 21 VAL HA H 21 3.608 3.544 0.064 1
1 245 . 13 1 1 A 21 21 VAL C C 21 176.301 177.955 -1.654 1
1 246 . 13 1 1 A 21 21 VAL CA C 21 66.684 67.102 -0.418 1
1 247 . 13 1 1 A 21 21 VAL CB C 21 31.879 31.339 0.540 1
1 249 . 13 1 1 A 21 21 VAL N N 21 122.114 119.437 2.677 1
1 250 . 13 1 1 A 22 22 ASP H H 22 8.427 8.009 0.418 1
1 251 . 13 1 1 A 22 22 ASP HA H 22 4.276 4.477 -0.201 1
1 254 . 13 1 1 A 22 22 ASP C C 22 177.428 178.306 -0.878 1
1 255 . 13 1 1 A 22 22 ASP CA C 22 57.143 56.654 0.489 1
1 256 . 13 1 1 A 22 22 ASP CB C 22 40.015 41.176 -1.161 1
1 257 . 13 1 1 A 22 22 ASP N N 22 122.544 120.649 1.895 1
1 258 . 13 1 1 A 23 23 ALA H H 23 7.451 7.802 -0.351 1
1 259 . 13 1 1 A 23 23 ALA HA H 23 4.284 4.301 -0.017 1
1 263 . 13 1 1 A 23 23 ALA C C 23 177.647 177.908 -0.261 1
1 264 . 13 1 1 A 23 23 ALA CA C 23 52.140 52.250 -0.110 1
1 265 . 13 1 1 A 23 23 ALA CB C 23 19.094 19.536 -0.442 1
1 266 . 13 1 1 A 23 23 ALA N N 23 119.690 118.830 0.860 1
1 267 . 13 1 1 A 24 24 GLY H H 24 8.007 8.374 -0.367 1
1 268 . 13 1 1 A 24 24 GLY HA2 H 24 3.930 3.951 -0.021 1
1 269 . 13 1 1 A 24 24 GLY HA3 H 24 3.786 3.960 -0.174 1
1 270 . 13 1 1 A 24 24 GLY C C 24 174.852 174.043 0.809 1
1 271 . 13 1 1 A 24 24 GLY CA C 24 45.939 47.021 -1.082 1
1 272 . 13 1 1 A 24 24 GLY N N 24 107.876 107.490 0.386 1
1 273 . 13 1 1 A 25 25 ILE H H 25 7.628 7.792 -0.164 1
1 274 . 13 1 1 A 25 25 ILE HA H 25 3.880 4.841 -0.961 1
1 281 . 13 1 1 A 25 25 ILE C C 25 174.954 175.267 -0.313 1
1 282 . 13 1 1 A 25 25 ILE CA C 25 58.787 59.647 -0.860 1
1 283 . 13 1 1 A 25 25 ILE CB C 25 36.014 41.635 -5.621 1
1 286 . 13 1 1 A 25 25 ILE N N 25 121.226 119.138 2.088 1
1 287 . 13 1 1 A 26 26 ALA H H 26 8.454 8.602 -0.148 1
1 288 . 13 1 1 A 26 26 ALA HA H 26 4.164 4.160 0.004 1
1 292 . 13 1 1 A 26 26 ALA C C 26 178.921 178.794 0.127 1
1 293 . 13 1 1 A 26 26 ALA CA C 26 52.978 52.795 0.183 1
1 294 . 13 1 1 A 26 26 ALA CB C 26 19.648 19.138 0.510 1
1 295 . 13 1 1 A 26 26 ALA N N 26 127.062 126.845 0.217 1
1 296 . 13 1 1 A 27 27 GLU H H 27 8.652 8.809 -0.157 1
1 297 . 13 1 1 A 27 27 GLU HA H 27 3.728 4.072 -0.344 1
1 302 . 13 1 1 A 27 27 GLU C C 27 179.886 178.279 1.607 1
1 303 . 13 1 1 A 27 27 GLU CA C 27 59.830 58.971 0.859 1
1 304 . 13 1 1 A 27 27 GLU CB C 27 29.682 28.712 0.970 1
1 306 . 13 1 1 A 27 27 GLU N N 27 122.104 124.732 -2.628 1
1 307 . 13 1 1 A 28 28 LYS H H 28 8.315 8.114 0.201 1
1 308 . 13 1 1 A 28 28 LYS HA H 28 3.789 3.907 -0.118 1
1 315 . 13 1 1 A 28 28 LYS C C 28 177.179 179.004 -1.825 1
1 316 . 13 1 1 A 28 28 LYS CA C 28 58.673 59.321 -0.648 1
1 317 . 13 1 1 A 28 28 LYS CB C 28 31.279 32.173 -0.894 1
1 320 . 13 1 1 A 28 28 LYS N N 28 119.368 119.520 -0.152 1
1 321 . 13 1 1 A 29 29 TYR H H 29 7.372 7.674 -0.302 1
1 322 . 13 1 1 A 29 29 TYR HA H 29 4.448 4.293 0.155 1
1 329 . 13 1 1 A 29 29 TYR C C 29 177.413 178.456 -1.043 1
1 330 . 13 1 1 A 29 29 TYR CA C 29 59.246 60.920 -1.674 1
1 331 . 13 1 1 A 29 29 TYR CB C 29 38.528 37.532 0.996 1
1 336 . 13 1 1 A 29 29 TYR N N 29 116.907 119.073 -2.166 1
1 337 . 13 1 1 A 30 30 ILE H H 30 7.448 8.798 -1.350 1
1 338 . 13 1 1 A 30 30 ILE HA H 30 3.359 3.769 -0.410 1
1 345 . 13 1 1 A 30 30 ILE C C 30 177.662 178.207 -0.545 1
1 346 . 13 1 1 A 30 30 ILE CA C 30 65.541 64.569 0.972 1
1 347 . 13 1 1 A 30 30 ILE CB C 30 37.362 37.544 -0.182 1
1 350 . 13 1 1 A 30 30 ILE N N 30 120.953 120.795 0.158 1
1 351 . 13 1 1 A 31 31 LYS H H 31 7.835 8.255 -0.420 1
1 352 . 13 1 1 A 31 31 LYS HA H 31 3.831 4.083 -0.252 1
1 357 . 13 1 1 A 31 31 LYS C C 31 178.218 179.161 -0.943 1
1 358 . 13 1 1 A 31 31 LYS CA C 31 58.702 58.993 -0.291 1
1 359 . 13 1 1 A 31 31 LYS CB C 31 32.198 31.871 0.327 1
1 363 . 13 1 1 A 31 31 LYS N N 31 116.536 122.616 -6.080 1
1 364 . 13 1 1 A 32 32 LEU H H 32 7.335 7.773 -0.438 1
1 365 . 13 1 1 A 32 32 LEU HA H 32 3.905 3.975 -0.070 1
1 372 . 13 1 1 A 32 32 LEU C C 32 179.901 179.290 0.611 1
1 373 . 13 1 1 A 32 32 LEU CA C 32 57.366 57.939 -0.573 1
1 374 . 13 1 1 A 32 32 LEU CB C 32 41.550 41.341 0.209 1
1 377 . 13 1 1 A 32 32 LEU N N 32 117.191 119.013 -1.822 1
1 378 . 13 1 1 A 33 33 ILE H H 33 7.409 7.431 -0.022 1
1 379 . 13 1 1 A 33 33 ILE HA H 33 3.522 4.026 -0.504 1
1 389 . 13 1 1 A 33 33 ILE C C 33 177.354 178.210 -0.856 1
1 390 . 13 1 1 A 33 33 ILE CA C 33 62.128 63.547 -1.419 1
1 391 . 13 1 1 A 33 33 ILE CB C 33 35.578 37.919 -2.341 1
1 395 . 13 1 1 A 33 33 ILE N N 33 117.873 114.198 3.675 1
1 396 . 13 1 1 A 34 34 ALA H H 34 7.615 9.221 -1.606 1
1 397 . 13 1 1 A 34 34 ALA HA H 34 3.774 4.056 -0.282 1
1 401 . 13 1 1 A 34 34 ALA C C 34 178.789 180.036 -1.247 1
1 402 . 13 1 1 A 34 34 ALA CA C 34 54.717 54.820 -0.103 1
1 403 . 13 1 1 A 34 34 ALA CB C 34 18.384 18.226 0.158 1
1 404 . 13 1 1 A 34 34 ALA N N 34 119.178 123.903 -4.725 1
1 405 . 13 1 1 A 35 35 ASN H H 35 7.354 8.109 -0.755 1
1 406 . 13 1 1 A 35 35 ASN HA H 35 4.572 4.735 -0.163 1
1 409 . 13 1 1 A 35 35 ASN C C 35 175.482 175.263 0.219 1
1 410 . 13 1 1 A 35 35 ASN CA C 35 52.835 53.026 -0.191 1
1 411 . 13 1 1 A 35 35 ASN CB C 35 39.178 38.836 0.342 1
1 412 . 13 1 1 A 35 35 ASN N N 35 113.033 117.240 -4.207 1
1 413 . 13 1 1 A 36 36 ALA H H 36 7.439 8.085 -0.646 1
1 414 . 13 1 1 A 36 36 ALA HA H 36 4.078 3.928 0.150 1
1 418 . 13 1 1 A 36 36 ALA C C 36 177.852 177.223 0.629 1
1 419 . 13 1 1 A 36 36 ALA CA C 36 53.179 54.184 -1.005 1
1 420 . 13 1 1 A 36 36 ALA CB C 36 19.460 17.989 1.471 1
1 421 . 13 1 1 A 36 36 ALA N N 36 123.843 120.558 3.285 1
1 422 . 13 1 1 A 37 37 LYS H H 37 8.739 8.815 -0.076 1
1 423 . 13 1 1 A 37 37 LYS HA H 37 4.238 3.995 0.243 1
1 428 . 13 1 1 A 37 37 LYS C C 37 176.652 175.722 0.930 1
1 429 . 13 1 1 A 37 37 LYS CA C 37 56.659 58.086 -1.427 1
1 430 . 13 1 1 A 37 37 LYS CB C 37 34.979 30.929 4.050 1
1 434 . 13 1 1 A 37 37 LYS N N 37 117.112 117.598 -0.486 1
1 435 . 13 1 1 A 38 38 THR H H 38 7.340 7.489 -0.149 1
1 436 . 13 1 1 A 38 38 THR HA H 38 4.515 4.722 -0.207 1
1 440 . 13 1 1 A 38 38 THR C C 38 173.974 174.846 -0.872 1
1 441 . 13 1 1 A 38 38 THR CA C 38 58.511 59.632 -1.121 1
1 442 . 13 1 1 A 38 38 THR CB C 38 72.797 68.750 4.047 1
1 444 . 13 1 1 A 38 38 THR N N 38 106.407 108.873 -2.466 1
1 445 . 13 1 1 A 39 39 VAL H H 39 8.886 8.047 0.839 1
1 446 . 13 1 1 A 39 39 VAL HA H 39 2.956 3.800 -0.844 1
1 451 . 13 1 1 A 39 39 VAL C C 39 176.754 177.099 -0.345 1
1 452 . 13 1 1 A 39 39 VAL CA C 39 67.409 65.558 1.851 1
1 453 . 13 1 1 A 39 39 VAL CB C 39 30.821 32.002 -1.181 1
1 455 . 13 1 1 A 39 39 VAL N N 39 122.964 122.874 0.090 1
1 456 . 13 1 1 A 40 40 GLU H H 40 8.839 8.680 0.159 1
1 457 . 13 1 1 A 40 40 GLU HA H 40 3.865 4.122 -0.257 1
1 462 . 13 1 1 A 40 40 GLU C C 40 179.345 180.037 -0.692 1
1 463 . 13 1 1 A 40 40 GLU CA C 40 60.003 59.537 0.466 1
1 464 . 13 1 1 A 40 40 GLU CB C 40 28.676 29.016 -0.340 1
1 466 . 13 1 1 A 40 40 GLU N N 40 117.880 120.205 -2.325 1
1 467 . 13 1 1 A 41 41 GLY H H 41 8.095 8.310 -0.215 1
1 468 . 13 1 1 A 41 41 GLY HA2 H 41 3.931 3.688 0.243 1
1 469 . 13 1 1 A 41 41 GLY HA3 H 41 3.730 3.701 0.029 1
1 470 . 13 1 1 A 41 41 GLY C C 41 176.271 175.478 0.793 1
1 471 . 13 1 1 A 41 41 GLY CA C 41 46.388 47.625 -1.237 1
1 472 . 13 1 1 A 41 41 GLY N N 41 108.686 109.107 -0.421 1
1 473 . 13 1 1 A 42 42 VAL H H 42 7.772 9.211 -1.439 1
1 474 . 13 1 1 A 42 42 VAL HA H 42 3.087 3.764 -0.677 1
1 479 . 13 1 1 A 42 42 VAL C C 42 177.003 177.934 -0.931 1
1 480 . 13 1 1 A 42 42 VAL CA C 42 67.068 65.591 1.477 1
1 481 . 13 1 1 A 42 42 VAL CB C 42 30.987 31.594 -0.607 1
1 483 . 13 1 1 A 42 42 VAL N N 42 123.069 122.037 1.032 1
1 484 . 13 1 1 A 43 43 TRP H H 43 7.518 7.553 -0.035 1
1 485 . 13 1 1 A 43 43 TRP HA H 43 4.469 4.344 0.125 1
1 493 . 13 1 1 A 43 43 TRP C C 43 179.023 178.249 0.774 1
1 494 . 13 1 1 A 43 43 TRP CA C 43 59.134 60.733 -1.599 1
1 495 . 13 1 1 A 43 43 TRP CB C 43 29.437 29.571 -0.134 1
1 500 . 13 1 1 A 43 43 TRP N N 43 118.322 121.642 -3.320 1
1 502 . 13 1 1 A 44 44 THR H H 44 8.408 8.294 0.114 1
1 503 . 13 1 1 A 44 44 THR HA H 44 3.971 4.525 -0.554 1
1 508 . 13 1 1 A 44 44 THR C C 44 177.047 176.371 0.676 1
1 509 . 13 1 1 A 44 44 THR CA C 44 66.396 67.016 -0.620 1
1 510 . 13 1 1 A 44 44 THR CB C 44 69.069 68.665 0.404 1
1 512 . 13 1 1 A 44 44 THR N N 44 114.912 115.827 -0.915 1
1 513 . 13 1 1 A 45 45 LEU H H 45 7.862 9.731 -1.869 1
1 514 . 13 1 1 A 45 45 LEU HA H 45 3.584 3.872 -0.288 1
1 521 . 13 1 1 A 45 45 LEU C C 45 178.189 179.557 -1.368 1
1 522 . 13 1 1 A 45 45 LEU CA C 45 57.671 57.765 -0.094 1
1 523 . 13 1 1 A 45 45 LEU CB C 45 42.389 41.321 1.068 1
1 525 . 13 1 1 A 45 45 LEU N N 45 123.153 120.093 3.060 1
1 526 . 13 1 1 A 46 46 LYS H H 46 8.569 7.517 1.052 1
1 527 . 13 1 1 A 46 46 LYS HA H 46 3.587 3.976 -0.389 1
1 532 . 13 1 1 A 46 46 LYS C C 46 177.354 178.704 -1.350 1
1 533 . 13 1 1 A 46 46 LYS CA C 46 60.799 59.619 1.180 1
1 534 . 13 1 1 A 46 46 LYS CB C 46 30.790 31.912 -1.122 1
1 536 . 13 1 1 A 46 46 LYS N N 46 119.398 120.927 -1.529 1
1 537 . 13 1 1 A 47 47 ASP H H 47 7.694 8.228 -0.534 1
1 538 . 13 1 1 A 47 47 ASP HA H 47 4.325 4.189 0.136 1
1 541 . 13 1 1 A 47 47 ASP C C 47 179.023 178.258 0.765 1
1 542 . 13 1 1 A 47 47 ASP CA C 47 57.107 56.773 0.334 1
1 543 . 13 1 1 A 47 47 ASP CB C 47 40.292 39.645 0.647 1
1 544 . 13 1 1 A 47 47 ASP N N 47 116.887 117.702 -0.815 1
1 545 . 13 1 1 A 48 48 GLU H H 48 7.931 8.011 -0.080 1
1 546 . 13 1 1 A 48 48 GLU HA H 48 3.773 4.044 -0.271 1
1 551 . 13 1 1 A 48 48 GLU C C 48 179.125 178.445 0.680 1
1 552 . 13 1 1 A 48 48 GLU CA C 48 59.422 58.583 0.839 1
1 553 . 13 1 1 A 48 48 GLU CB C 48 29.598 29.541 0.057 1
1 555 . 13 1 1 A 48 48 GLU N N 48 121.719 118.933 2.786 1
1 556 . 13 1 1 A 49 49 ILE H H 49 8.553 8.690 -0.137 1
1 557 . 13 1 1 A 49 49 ILE HA H 49 3.424 3.327 0.097 1
1 565 . 13 1 1 A 49 49 ILE C C 49 178.262 177.026 1.236 1
1 566 . 13 1 1 A 49 49 ILE CA C 49 64.372 62.594 1.778 1
1 567 . 13 1 1 A 49 49 ILE CB C 49 38.278 37.145 1.133 1
1 571 . 13 1 1 A 49 49 ILE N N 49 120.672 120.158 0.514 1
1 572 . 13 1 1 A 50 50 LEU H H 50 7.831 7.311 0.520 1
1 573 . 13 1 1 A 50 50 LEU HA H 50 3.795 4.185 -0.390 1
1 580 . 13 1 1 A 50 50 LEU C C 50 178.247 179.155 -0.908 1
1 581 . 13 1 1 A 50 50 LEU CA C 50 57.039 57.341 -0.302 1
1 582 . 13 1 1 A 50 50 LEU CB C 50 41.815 42.135 -0.320 1
1 585 . 13 1 1 A 50 50 LEU N N 50 117.810 122.044 -4.234 1
1 586 . 13 1 1 A 51 51 THR H H 51 7.560 7.823 -0.263 1
1 587 . 13 1 1 A 51 51 THR HA H 51 4.066 4.107 -0.041 1
1 592 . 13 1 1 A 51 51 THR C C 51 175.276 175.400 -0.124 1
1 593 . 13 1 1 A 51 51 THR CA C 51 63.281 65.257 -1.976 1
1 594 . 13 1 1 A 51 51 THR CB C 51 69.695 68.419 1.276 1
1 596 . 13 1 1 A 51 51 THR N N 51 110.196 115.526 -5.330 1
1 597 . 13 1 1 A 52 52 PHE H H 52 7.744 7.560 0.184 1
1 598 . 13 1 1 A 52 52 PHE HA H 52 4.484 4.524 -0.040 1
1 605 . 13 1 1 A 52 52 PHE C C 52 176.549 175.288 1.261 1
1 606 . 13 1 1 A 52 52 PHE CA C 52 57.742 57.297 0.445 1
1 607 . 13 1 1 A 52 52 PHE CB C 52 37.819 39.030 -1.211 1
1 612 . 13 1 1 A 52 52 PHE N N 52 120.944 116.518 4.426 1
1 613 . 13 1 1 A 53 53 THR H H 53 8.028 7.434 0.594 1
1 614 . 13 1 1 A 53 53 THR HA H 53 4.085 4.560 -0.475 1
1 619 . 13 1 1 A 53 53 THR C C 53 174.471 172.871 1.600 1
1 620 . 13 1 1 A 53 53 THR CA C 53 62.330 61.228 1.102 1
1 621 . 13 1 1 A 53 53 THR CB C 53 69.725 69.255 0.470 1
1 623 . 13 1 1 A 53 53 THR N N 53 113.551 114.887 -1.336 1
1 624 . 13 1 1 A 54 54 VAL H H 54 7.827 8.257 -0.430 1
1 625 . 13 1 1 A 54 54 VAL HA H 54 4.047 4.547 -0.500 1
1 630 . 13 1 1 A 54 54 VAL C C 54 176.067 175.467 0.600 1
1 631 . 13 1 1 A 54 54 VAL CA C 54 62.299 60.353 1.946 1
1 632 . 13 1 1 A 54 54 VAL CB C 54 32.633 34.698 -2.065 1
1 634 . 13 1 1 A 54 54 VAL N N 54 122.128 125.347 -3.219 1
1 635 . 13 1 1 A 55 55 THR H H 55 8.233 8.956 -0.723 1
1 636 . 13 1 1 A 55 55 THR HA H 55 4.212 3.901 0.311 1
1 640 . 13 1 1 A 55 55 THR C C 55 173.647 174.800 -1.153 1
1 641 . 13 1 1 A 55 55 THR CA C 55 61.620 66.040 -4.420 1
1 642 . 13 1 1 A 55 55 THR CB C 55 69.862 69.316 0.546 1
1 644 . 13 1 1 A 55 55 THR N N 55 118.471 120.844 -2.373 1
1 3 . 14 1 1 A 2 2 THR H H 2 7.970 8.533 -0.563 1
1 4 . 14 1 1 A 2 2 THR HA H 2 4.183 5.146 -0.963 1
1 9 . 14 1 1 A 2 2 THR C C 2 173.875 174.004 -0.129 1
1 10 . 14 1 1 A 2 2 THR CA C 2 61.768 60.530 1.238 1
1 11 . 14 1 1 A 2 2 THR CB C 2 69.631 71.705 -2.074 1
1 13 . 14 1 1 A 2 2 THR N N 2 128.423 113.646 14.777 1
1 14 . 14 1 1 A 3 3 TYR H H 3 8.247 9.078 -0.831 1
1 15 . 14 1 1 A 3 3 TYR HA H 3 4.271 4.236 0.035 1
1 22 . 14 1 1 A 3 3 TYR C C 3 175.714 175.763 -0.049 1
1 23 . 14 1 1 A 3 3 TYR CA C 3 58.145 60.510 -2.365 1
1 24 . 14 1 1 A 3 3 TYR CB C 3 38.753 39.229 -0.476 1
1 27 . 14 1 1 A 3 3 TYR N N 3 123.871 123.747 0.124 1
1 28 . 14 1 1 A 4 4 LYS H H 4 8.009 8.084 -0.075 1
1 29 . 14 1 1 A 4 4 LYS HA H 4 3.963 4.067 -0.104 1
1 36 . 14 1 1 A 4 4 LYS C C 4 175.979 176.451 -0.472 1
1 37 . 14 1 1 A 4 4 LYS CA C 4 56.821 57.088 -0.267 1
1 38 . 14 1 1 A 4 4 LYS CB C 4 32.981 30.083 2.898 1
1 40 . 14 1 1 A 4 4 LYS N N 4 122.309 119.140 3.169 1
1 41 . 14 1 1 A 5 5 LEU H H 5 7.918 8.484 -0.566 1
1 42 . 14 1 1 A 5 5 LEU HA H 5 4.151 4.421 -0.270 1
1 49 . 14 1 1 A 5 5 LEU C C 5 176.945 176.677 0.268 1
1 50 . 14 1 1 A 5 5 LEU CA C 5 55.320 56.059 -0.739 1
1 51 . 14 1 1 A 5 5 LEU CB C 5 42.054 42.403 -0.349 1
1 55 . 14 1 1 A 5 5 LEU N N 5 121.830 119.210 2.620 1
1 56 . 14 1 1 A 6 6 ILE H H 6 7.974 7.909 0.065 1
1 57 . 14 1 1 A 6 6 ILE HA H 6 3.959 3.806 0.153 1
1 67 . 14 1 1 A 6 6 ILE C C 6 176.110 175.251 0.859 1
1 68 . 14 1 1 A 6 6 ILE CA C 6 61.287 62.497 -1.210 1
1 69 . 14 1 1 A 6 6 ILE CB C 6 38.228 35.667 2.561 1
1 73 . 14 1 1 A 6 6 ILE N N 6 121.898 116.929 4.969 1
1 74 . 14 1 1 A 7 7 LEU H H 7 8.071 8.166 -0.095 1
1 75 . 14 1 1 A 7 7 LEU HA H 7 4.316 4.724 -0.408 1
1 82 . 14 1 1 A 7 7 LEU C C 7 176.915 177.257 -0.342 1
1 83 . 14 1 1 A 7 7 LEU CA C 7 55.177 54.373 0.804 1
1 84 . 14 1 1 A 7 7 LEU CB C 7 43.080 43.512 -0.432 1
1 86 . 14 1 1 A 7 7 LEU N N 7 125.296 118.933 6.363 1
1 87 . 14 1 1 A 8 8 ASN H H 8 8.021 7.958 0.063 1
1 88 . 14 1 1 A 8 8 ASN HA H 8 4.570 5.127 -0.557 1
1 91 . 14 1 1 A 8 8 ASN C C 8 175.203 176.331 -1.128 1
1 92 . 14 1 1 A 8 8 ASN CA C 8 52.320 52.194 0.126 1
1 93 . 14 1 1 A 8 8 ASN CB C 8 39.229 38.837 0.392 1
1 94 . 14 1 1 A 8 8 ASN N N 8 117.805 118.065 -0.260 1
1 95 . 14 1 1 A 9 9 LEU H H 9 8.385 7.697 0.688 1
1 96 . 14 1 1 A 9 9 LEU HA H 9 3.718 4.251 -0.533 1
1 106 . 14 1 1 A 9 9 LEU C C 9 177.150 178.169 -1.019 1
1 107 . 14 1 1 A 9 9 LEU CA C 9 58.501 57.319 1.182 1
1 108 . 14 1 1 A 9 9 LEU CB C 9 42.085 42.227 -0.142 1
1 111 . 14 1 1 A 9 9 LEU N N 9 122.110 121.139 0.971 1
1 112 . 14 1 1 A 10 10 LYS H H 10 8.027 8.239 -0.212 1
1 113 . 14 1 1 A 10 10 LYS HA H 10 3.824 3.907 -0.083 1
1 118 . 14 1 1 A 10 10 LYS C C 10 178.555 178.353 0.202 1
1 119 . 14 1 1 A 10 10 LYS CA C 10 59.893 59.431 0.462 1
1 120 . 14 1 1 A 10 10 LYS CB C 10 32.143 32.217 -0.074 1
1 123 . 14 1 1 A 10 10 LYS N N 10 118.739 119.063 -0.324 1
1 124 . 14 1 1 A 11 11 GLN H H 11 7.574 7.859 -0.285 1
1 125 . 14 1 1 A 11 11 GLN HA H 11 3.984 4.105 -0.121 1
1 130 . 14 1 1 A 11 11 GLN C C 11 175.218 177.949 -2.731 1
1 131 . 14 1 1 A 11 11 GLN CA C 11 59.252 58.316 0.936 1
1 132 . 14 1 1 A 11 11 GLN CB C 11 29.579 28.559 1.020 1
1 134 . 14 1 1 A 11 11 GLN N N 11 117.396 118.449 -1.053 1
1 135 . 14 1 1 A 12 12 ALA H H 12 8.432 8.005 0.427 1
1 136 . 14 1 1 A 12 12 ALA HA H 12 4.001 3.774 0.227 1
1 140 . 14 1 1 A 12 12 ALA C C 12 179.374 180.026 -0.652 1
1 141 . 14 1 1 A 12 12 ALA CA C 12 55.373 54.825 0.548 1
1 142 . 14 1 1 A 12 12 ALA CB C 12 18.214 18.578 -0.364 1
1 143 . 14 1 1 A 12 12 ALA N N 12 122.547 122.184 0.363 1
1 144 . 14 1 1 A 13 13 LYS H H 13 8.276 7.899 0.377 1
1 145 . 14 1 1 A 13 13 LYS HA H 13 3.404 4.081 -0.677 1
1 152 . 14 1 1 A 13 13 LYS C C 13 178.467 179.265 -0.798 1
1 153 . 14 1 1 A 13 13 LYS CA C 13 60.801 58.990 1.811 1
1 154 . 14 1 1 A 13 13 LYS CB C 13 33.111 32.259 0.852 1
1 157 . 14 1 1 A 13 13 LYS N N 13 116.459 117.560 -1.101 1
1 158 . 14 1 1 A 14 14 GLU H H 14 7.840 7.985 -0.145 1
1 159 . 14 1 1 A 14 14 GLU HA H 14 3.755 3.989 -0.234 1
1 164 . 14 1 1 A 14 14 GLU C C 14 177.720 179.006 -1.286 1
1 165 . 14 1 1 A 14 14 GLU CA C 14 59.737 59.491 0.246 1
1 166 . 14 1 1 A 14 14 GLU CB C 14 29.453 29.138 0.315 1
1 168 . 14 1 1 A 14 14 GLU N N 14 116.581 119.604 -3.023 1
1 169 . 14 1 1 A 15 15 GLU H H 15 8.269 8.594 -0.325 1
1 170 . 14 1 1 A 15 15 GLU HA H 15 3.961 3.992 -0.031 1
1 175 . 14 1 1 A 15 15 GLU C C 15 178.438 178.706 -0.268 1
1 176 . 14 1 1 A 15 15 GLU CA C 15 58.383 58.977 -0.594 1
1 177 . 14 1 1 A 15 15 GLU CB C 15 28.994 29.033 -0.039 1
1 179 . 14 1 1 A 15 15 GLU N N 15 115.657 120.094 -4.437 1
1 180 . 14 1 1 A 16 16 ALA H H 16 8.500 7.903 0.597 1
1 181 . 14 1 1 A 16 16 ALA HA H 16 3.939 3.996 -0.057 1
1 185 . 14 1 1 A 16 16 ALA C C 16 179.330 179.972 -0.642 1
1 186 . 14 1 1 A 16 16 ALA CA C 16 55.401 54.941 0.460 1
1 187 . 14 1 1 A 16 16 ALA CB C 16 18.980 18.209 0.771 1
1 188 . 14 1 1 A 16 16 ALA N N 16 122.087 121.759 0.328 1
1 189 . 14 1 1 A 17 17 ILE H H 17 8.598 8.664 -0.066 1
1 190 . 14 1 1 A 17 17 ILE HA H 17 3.334 3.882 -0.548 1
1 195 . 14 1 1 A 17 17 ILE C C 17 177.120 177.908 -0.788 1
1 196 . 14 1 1 A 17 17 ILE CA C 17 66.876 63.500 3.376 1
1 197 . 14 1 1 A 17 17 ILE CB C 17 37.817 37.564 0.253 1
1 200 . 14 1 1 A 17 17 ILE N N 17 117.395 119.180 -1.785 1
1 201 . 14 1 1 A 18 18 LYS H H 18 7.633 7.670 -0.037 1
1 202 . 14 1 1 A 18 18 LYS HA H 18 3.748 4.032 -0.284 1
1 209 . 14 1 1 A 18 18 LYS C C 18 179.199 179.281 -0.082 1
1 210 . 14 1 1 A 18 18 LYS CA C 18 60.001 59.758 0.243 1
1 211 . 14 1 1 A 18 18 LYS CB C 18 32.538 32.129 0.409 1
1 213 . 14 1 1 A 18 18 LYS N N 18 119.143 122.577 -3.434 1
1 214 . 14 1 1 A 19 19 GLU H H 19 8.192 7.705 0.487 1
1 215 . 14 1 1 A 19 19 GLU HA H 19 3.942 4.045 -0.103 1
1 220 . 14 1 1 A 19 19 GLU C C 19 179.813 178.766 1.047 1
1 221 . 14 1 1 A 19 19 GLU CA C 19 59.577 58.993 0.584 1
1 222 . 14 1 1 A 19 19 GLU CB C 19 29.756 29.461 0.295 1
1 224 . 14 1 1 A 19 19 GLU N N 19 118.201 119.993 -1.792 1
1 225 . 14 1 1 A 20 20 LEU H H 20 8.128 7.837 0.291 1
1 226 . 14 1 1 A 20 20 LEU HA H 20 3.877 4.158 -0.281 1
1 233 . 14 1 1 A 20 20 LEU C C 20 178.906 178.837 0.069 1
1 234 . 14 1 1 A 20 20 LEU CA C 20 58.171 57.714 0.457 1
1 235 . 14 1 1 A 20 20 LEU CB C 20 41.496 41.942 -0.446 1
1 238 . 14 1 1 A 20 20 LEU N N 20 119.841 121.427 -1.586 1
1 239 . 14 1 1 A 21 21 VAL H H 21 9.063 8.147 0.916 1
1 240 . 14 1 1 A 21 21 VAL HA H 21 3.608 3.536 0.072 1
1 245 . 14 1 1 A 21 21 VAL C C 21 176.301 177.711 -1.410 1
1 246 . 14 1 1 A 21 21 VAL CA C 21 66.684 67.043 -0.359 1
1 247 . 14 1 1 A 21 21 VAL CB C 21 31.879 31.335 0.544 1
1 249 . 14 1 1 A 21 21 VAL N N 21 122.114 119.476 2.638 1
1 250 . 14 1 1 A 22 22 ASP H H 22 8.427 7.925 0.502 1
1 251 . 14 1 1 A 22 22 ASP HA H 22 4.276 4.498 -0.222 1
1 254 . 14 1 1 A 22 22 ASP C C 22 177.428 178.062 -0.634 1
1 255 . 14 1 1 A 22 22 ASP CA C 22 57.143 56.346 0.797 1
1 256 . 14 1 1 A 22 22 ASP CB C 22 40.015 41.327 -1.312 1
1 257 . 14 1 1 A 22 22 ASP N N 22 122.544 120.446 2.098 1
1 258 . 14 1 1 A 23 23 ALA H H 23 7.451 7.715 -0.264 1
1 259 . 14 1 1 A 23 23 ALA HA H 23 4.284 4.261 0.023 1
1 263 . 14 1 1 A 23 23 ALA C C 23 177.647 177.777 -0.130 1
1 264 . 14 1 1 A 23 23 ALA CA C 23 52.140 52.201 -0.061 1
1 265 . 14 1 1 A 23 23 ALA CB C 23 19.094 19.628 -0.534 1
1 266 . 14 1 1 A 23 23 ALA N N 23 119.690 118.717 0.973 1
1 267 . 14 1 1 A 24 24 GLY H H 24 8.007 8.504 -0.497 1
1 268 . 14 1 1 A 24 24 GLY HA2 H 24 3.930 3.889 0.041 1
1 269 . 14 1 1 A 24 24 GLY HA3 H 24 3.786 3.905 -0.119 1
1 270 . 14 1 1 A 24 24 GLY C C 24 174.852 173.571 1.281 1
1 271 . 14 1 1 A 24 24 GLY CA C 24 45.939 46.329 -0.390 1
1 272 . 14 1 1 A 24 24 GLY N N 24 107.876 106.865 1.011 1
1 273 . 14 1 1 A 25 25 ILE H H 25 7.628 7.956 -0.328 1
1 274 . 14 1 1 A 25 25 ILE HA H 25 3.880 4.709 -0.829 1
1 281 . 14 1 1 A 25 25 ILE C C 25 174.954 174.201 0.753 1
1 282 . 14 1 1 A 25 25 ILE CA C 25 58.787 60.058 -1.271 1
1 283 . 14 1 1 A 25 25 ILE CB C 25 36.014 39.367 -3.353 1
1 286 . 14 1 1 A 25 25 ILE N N 25 121.226 119.597 1.629 1
1 287 . 14 1 1 A 26 26 ALA H H 26 8.454 8.613 -0.159 1
1 288 . 14 1 1 A 26 26 ALA HA H 26 4.164 4.186 -0.022 1
1 292 . 14 1 1 A 26 26 ALA C C 26 178.921 178.369 0.552 1
1 293 . 14 1 1 A 26 26 ALA CA C 26 52.978 52.897 0.081 1
1 294 . 14 1 1 A 26 26 ALA CB C 26 19.648 19.422 0.226 1
1 295 . 14 1 1 A 26 26 ALA N N 26 127.062 125.245 1.817 1
1 296 . 14 1 1 A 27 27 GLU H H 27 8.652 8.682 -0.030 1
1 297 . 14 1 1 A 27 27 GLU HA H 27 3.728 4.153 -0.425 1
1 302 . 14 1 1 A 27 27 GLU C C 27 179.886 178.865 1.021 1
1 303 . 14 1 1 A 27 27 GLU CA C 27 59.830 59.302 0.528 1
1 304 . 14 1 1 A 27 27 GLU CB C 27 29.682 29.303 0.379 1
1 306 . 14 1 1 A 27 27 GLU N N 27 122.104 124.872 -2.768 1
1 307 . 14 1 1 A 28 28 LYS H H 28 8.315 8.131 0.184 1
1 308 . 14 1 1 A 28 28 LYS HA H 28 3.789 4.010 -0.221 1
1 315 . 14 1 1 A 28 28 LYS C C 28 177.179 178.665 -1.486 1
1 316 . 14 1 1 A 28 28 LYS CA C 28 58.673 59.370 -0.697 1
1 317 . 14 1 1 A 28 28 LYS CB C 28 31.279 32.157 -0.878 1
1 320 . 14 1 1 A 28 28 LYS N N 28 119.368 121.462 -2.094 1
1 321 . 14 1 1 A 29 29 TYR H H 29 7.372 8.181 -0.809 1
1 322 . 14 1 1 A 29 29 TYR HA H 29 4.448 4.321 0.127 1
1 329 . 14 1 1 A 29 29 TYR C C 29 177.413 178.547 -1.134 1
1 330 . 14 1 1 A 29 29 TYR CA C 29 59.246 60.939 -1.693 1
1 331 . 14 1 1 A 29 29 TYR CB C 29 38.528 37.707 0.821 1
1 336 . 14 1 1 A 29 29 TYR N N 29 116.907 119.019 -2.112 1
1 337 . 14 1 1 A 30 30 ILE H H 30 7.448 8.592 -1.144 1
1 338 . 14 1 1 A 30 30 ILE HA H 30 3.359 3.800 -0.441 1
1 345 . 14 1 1 A 30 30 ILE C C 30 177.662 178.219 -0.557 1
1 346 . 14 1 1 A 30 30 ILE CA C 30 65.541 64.600 0.941 1
1 347 . 14 1 1 A 30 30 ILE CB C 30 37.362 37.565 -0.203 1
1 350 . 14 1 1 A 30 30 ILE N N 30 120.953 120.946 0.007 1
1 351 . 14 1 1 A 31 31 LYS H H 31 7.835 8.230 -0.395 1
1 352 . 14 1 1 A 31 31 LYS HA H 31 3.831 4.087 -0.256 1
1 357 . 14 1 1 A 31 31 LYS C C 31 178.218 179.217 -0.999 1
1 358 . 14 1 1 A 31 31 LYS CA C 31 58.702 59.008 -0.306 1
1 359 . 14 1 1 A 31 31 LYS CB C 31 32.198 31.917 0.281 1
1 363 . 14 1 1 A 31 31 LYS N N 31 116.536 122.621 -6.085 1
1 364 . 14 1 1 A 32 32 LEU H H 32 7.335 7.825 -0.490 1
1 365 . 14 1 1 A 32 32 LEU HA H 32 3.905 3.966 -0.061 1
1 372 . 14 1 1 A 32 32 LEU C C 32 179.901 179.230 0.671 1
1 373 . 14 1 1 A 32 32 LEU CA C 32 57.366 57.772 -0.406 1
1 374 . 14 1 1 A 32 32 LEU CB C 32 41.550 41.202 0.348 1
1 377 . 14 1 1 A 32 32 LEU N N 32 117.191 118.592 -1.401 1
1 378 . 14 1 1 A 33 33 ILE H H 33 7.409 7.463 -0.054 1
1 379 . 14 1 1 A 33 33 ILE HA H 33 3.522 4.031 -0.509 1
1 389 . 14 1 1 A 33 33 ILE C C 33 177.354 178.208 -0.854 1
1 390 . 14 1 1 A 33 33 ILE CA C 33 62.128 63.579 -1.451 1
1 391 . 14 1 1 A 33 33 ILE CB C 33 35.578 37.957 -2.379 1
1 395 . 14 1 1 A 33 33 ILE N N 33 117.873 115.597 2.276 1
1 396 . 14 1 1 A 34 34 ALA H H 34 7.615 9.200 -1.585 1
1 397 . 14 1 1 A 34 34 ALA HA H 34 3.774 4.043 -0.269 1
1 401 . 14 1 1 A 34 34 ALA C C 34 178.789 180.254 -1.465 1
1 402 . 14 1 1 A 34 34 ALA CA C 34 54.717 54.808 -0.091 1
1 403 . 14 1 1 A 34 34 ALA CB C 34 18.384 18.232 0.152 1
1 404 . 14 1 1 A 34 34 ALA N N 34 119.178 124.022 -4.844 1
1 405 . 14 1 1 A 35 35 ASN H H 35 7.354 8.023 -0.669 1
1 406 . 14 1 1 A 35 35 ASN HA H 35 4.572 4.644 -0.072 1
1 409 . 14 1 1 A 35 35 ASN C C 35 175.482 175.149 0.333 1
1 410 . 14 1 1 A 35 35 ASN CA C 35 52.835 53.984 -1.149 1
1 411 . 14 1 1 A 35 35 ASN CB C 35 39.178 38.969 0.209 1
1 412 . 14 1 1 A 35 35 ASN N N 35 113.033 117.007 -3.974 1
1 413 . 14 1 1 A 36 36 ALA H H 36 7.439 8.022 -0.583 1
1 414 . 14 1 1 A 36 36 ALA HA H 36 4.078 3.996 0.082 1
1 418 . 14 1 1 A 36 36 ALA C C 36 177.852 177.168 0.684 1
1 419 . 14 1 1 A 36 36 ALA CA C 36 53.179 54.062 -0.883 1
1 420 . 14 1 1 A 36 36 ALA CB C 36 19.460 17.992 1.468 1
1 421 . 14 1 1 A 36 36 ALA N N 36 123.843 121.102 2.741 1
1 422 . 14 1 1 A 37 37 LYS H H 37 8.739 8.780 -0.041 1
1 423 . 14 1 1 A 37 37 LYS HA H 37 4.238 4.292 -0.054 1
1 428 . 14 1 1 A 37 37 LYS C C 37 176.652 175.472 1.180 1
1 429 . 14 1 1 A 37 37 LYS CA C 37 56.659 57.792 -1.133 1
1 430 . 14 1 1 A 37 37 LYS CB C 37 34.979 32.171 2.808 1
1 434 . 14 1 1 A 37 37 LYS N N 37 117.112 118.239 -1.127 1
1 435 . 14 1 1 A 38 38 THR H H 38 7.340 7.857 -0.517 1
1 436 . 14 1 1 A 38 38 THR HA H 38 4.515 4.722 -0.207 1
1 440 . 14 1 1 A 38 38 THR C C 38 173.974 174.840 -0.866 1
1 441 . 14 1 1 A 38 38 THR CA C 38 58.511 61.060 -2.549 1
1 442 . 14 1 1 A 38 38 THR CB C 38 72.797 69.167 3.630 1
1 444 . 14 1 1 A 38 38 THR N N 38 106.407 114.905 -8.498 1
1 445 . 14 1 1 A 39 39 VAL H H 39 8.886 8.211 0.675 1
1 446 . 14 1 1 A 39 39 VAL HA H 39 2.956 3.886 -0.930 1
1 451 . 14 1 1 A 39 39 VAL C C 39 176.754 177.172 -0.418 1
1 452 . 14 1 1 A 39 39 VAL CA C 39 67.409 65.548 1.861 1
1 453 . 14 1 1 A 39 39 VAL CB C 39 30.821 31.898 -1.077 1
1 455 . 14 1 1 A 39 39 VAL N N 39 122.964 125.790 -2.826 1
1 456 . 14 1 1 A 40 40 GLU H H 40 8.839 8.723 0.116 1
1 457 . 14 1 1 A 40 40 GLU HA H 40 3.865 4.130 -0.265 1
1 462 . 14 1 1 A 40 40 GLU C C 40 179.345 180.070 -0.725 1
1 463 . 14 1 1 A 40 40 GLU CA C 40 60.003 59.556 0.447 1
1 464 . 14 1 1 A 40 40 GLU CB C 40 28.676 28.996 -0.320 1
1 466 . 14 1 1 A 40 40 GLU N N 40 117.880 120.719 -2.839 1
1 467 . 14 1 1 A 41 41 GLY H H 41 8.095 8.315 -0.220 1
1 468 . 14 1 1 A 41 41 GLY HA2 H 41 3.931 3.755 0.176 1
1 469 . 14 1 1 A 41 41 GLY HA3 H 41 3.730 3.773 -0.043 1
1 470 . 14 1 1 A 41 41 GLY C C 41 176.271 175.691 0.580 1
1 471 . 14 1 1 A 41 41 GLY CA C 41 46.388 47.567 -1.179 1
1 472 . 14 1 1 A 41 41 GLY N N 41 108.686 109.185 -0.499 1
1 473 . 14 1 1 A 42 42 VAL H H 42 7.772 9.091 -1.319 1
1 474 . 14 1 1 A 42 42 VAL HA H 42 3.087 3.795 -0.708 1
1 479 . 14 1 1 A 42 42 VAL C C 42 177.003 177.984 -0.981 1
1 480 . 14 1 1 A 42 42 VAL CA C 42 67.068 65.737 1.331 1
1 481 . 14 1 1 A 42 42 VAL CB C 42 30.987 31.573 -0.586 1
1 483 . 14 1 1 A 42 42 VAL N N 42 123.069 121.994 1.075 1
1 484 . 14 1 1 A 43 43 TRP H H 43 7.518 7.597 -0.079 1
1 485 . 14 1 1 A 43 43 TRP HA H 43 4.469 4.394 0.075 1
1 493 . 14 1 1 A 43 43 TRP C C 43 179.023 178.315 0.708 1
1 494 . 14 1 1 A 43 43 TRP CA C 43 59.134 60.484 -1.350 1
1 495 . 14 1 1 A 43 43 TRP CB C 43 29.437 29.585 -0.148 1
1 500 . 14 1 1 A 43 43 TRP N N 43 118.322 121.438 -3.116 1
1 502 . 14 1 1 A 44 44 THR H H 44 8.408 8.346 0.062 1
1 503 . 14 1 1 A 44 44 THR HA H 44 3.971 4.183 -0.212 1
1 508 . 14 1 1 A 44 44 THR C C 44 177.047 176.514 0.533 1
1 509 . 14 1 1 A 44 44 THR CA C 44 66.396 67.127 -0.731 1
1 510 . 14 1 1 A 44 44 THR CB C 44 69.069 68.895 0.174 1
1 512 . 14 1 1 A 44 44 THR N N 44 114.912 115.700 -0.788 1
1 513 . 14 1 1 A 45 45 LEU H H 45 7.862 9.842 -1.980 1
1 514 . 14 1 1 A 45 45 LEU HA H 45 3.584 4.026 -0.442 1
1 521 . 14 1 1 A 45 45 LEU C C 45 178.189 179.550 -1.361 1
1 522 . 14 1 1 A 45 45 LEU CA C 45 57.671 58.024 -0.353 1
1 523 . 14 1 1 A 45 45 LEU CB C 45 42.389 41.488 0.901 1
1 525 . 14 1 1 A 45 45 LEU N N 45 123.153 120.631 2.522 1
1 526 . 14 1 1 A 46 46 LYS H H 46 8.569 7.572 0.997 1
1 527 . 14 1 1 A 46 46 LYS HA H 46 3.587 4.083 -0.496 1
1 532 . 14 1 1 A 46 46 LYS C C 46 177.354 178.845 -1.491 1
1 533 . 14 1 1 A 46 46 LYS CA C 46 60.799 59.740 1.059 1
1 534 . 14 1 1 A 46 46 LYS CB C 46 30.790 32.215 -1.425 1
1 536 . 14 1 1 A 46 46 LYS N N 46 119.398 120.953 -1.555 1
1 537 . 14 1 1 A 47 47 ASP H H 47 7.694 8.135 -0.441 1
1 538 . 14 1 1 A 47 47 ASP HA H 47 4.325 4.380 -0.055 1
1 541 . 14 1 1 A 47 47 ASP C C 47 179.023 178.567 0.456 1
1 542 . 14 1 1 A 47 47 ASP CA C 47 57.107 56.847 0.260 1
1 543 . 14 1 1 A 47 47 ASP CB C 47 40.292 40.580 -0.288 1
1 544 . 14 1 1 A 47 47 ASP N N 47 116.887 119.513 -2.626 1
1 545 . 14 1 1 A 48 48 GLU H H 48 7.931 8.319 -0.388 1
1 546 . 14 1 1 A 48 48 GLU HA H 48 3.773 4.140 -0.367 1
1 551 . 14 1 1 A 48 48 GLU C C 48 179.125 178.503 0.622 1
1 552 . 14 1 1 A 48 48 GLU CA C 48 59.422 58.754 0.668 1
1 553 . 14 1 1 A 48 48 GLU CB C 48 29.598 29.465 0.133 1
1 555 . 14 1 1 A 48 48 GLU N N 48 121.719 119.084 2.635 1
1 556 . 14 1 1 A 49 49 ILE H H 49 8.553 8.725 -0.172 1
1 557 . 14 1 1 A 49 49 ILE HA H 49 3.424 3.626 -0.202 1
1 565 . 14 1 1 A 49 49 ILE C C 49 178.262 177.154 1.108 1
1 566 . 14 1 1 A 49 49 ILE CA C 49 64.372 62.758 1.614 1
1 567 . 14 1 1 A 49 49 ILE CB C 49 38.278 37.324 0.954 1
1 571 . 14 1 1 A 49 49 ILE N N 49 120.672 120.394 0.278 1
1 572 . 14 1 1 A 50 50 LEU H H 50 7.831 7.650 0.181 1
1 573 . 14 1 1 A 50 50 LEU HA H 50 3.795 4.126 -0.331 1
1 580 . 14 1 1 A 50 50 LEU C C 50 178.247 178.778 -0.531 1
1 581 . 14 1 1 A 50 50 LEU CA C 50 57.039 57.420 -0.381 1
1 582 . 14 1 1 A 50 50 LEU CB C 50 41.815 42.025 -0.210 1
1 585 . 14 1 1 A 50 50 LEU N N 50 117.810 122.443 -4.633 1
1 586 . 14 1 1 A 51 51 THR H H 51 7.560 8.026 -0.466 1
1 587 . 14 1 1 A 51 51 THR HA H 51 4.066 3.895 0.171 1
1 592 . 14 1 1 A 51 51 THR C C 51 175.276 176.042 -0.766 1
1 593 . 14 1 1 A 51 51 THR CA C 51 63.281 66.780 -3.499 1
1 594 . 14 1 1 A 51 51 THR CB C 51 69.695 68.495 1.200 1
1 596 . 14 1 1 A 51 51 THR N N 51 110.196 115.051 -4.855 1
1 597 . 14 1 1 A 52 52 PHE H H 52 7.744 7.849 -0.105 1
1 598 . 14 1 1 A 52 52 PHE HA H 52 4.484 4.426 0.058 1
1 605 . 14 1 1 A 52 52 PHE C C 52 176.549 175.653 0.896 1
1 606 . 14 1 1 A 52 52 PHE CA C 52 57.742 56.748 0.994 1
1 607 . 14 1 1 A 52 52 PHE CB C 52 37.819 37.073 0.746 1
1 612 . 14 1 1 A 52 52 PHE N N 52 120.944 120.115 0.829 1
1 613 . 14 1 1 A 53 53 THR H H 53 8.028 8.507 -0.479 1
1 614 . 14 1 1 A 53 53 THR HA H 53 4.085 4.185 -0.100 1
1 619 . 14 1 1 A 53 53 THR C C 53 174.471 173.444 1.027 1
1 620 . 14 1 1 A 53 53 THR CA C 53 62.330 63.133 -0.803 1
1 621 . 14 1 1 A 53 53 THR CB C 53 69.725 71.085 -1.360 1
1 623 . 14 1 1 A 53 53 THR N N 53 113.551 112.768 0.783 1
1 624 . 14 1 1 A 54 54 VAL H H 54 7.827 7.924 -0.097 1
1 625 . 14 1 1 A 54 54 VAL HA H 54 4.047 4.099 -0.052 1
1 630 . 14 1 1 A 54 54 VAL C C 54 176.067 175.333 0.734 1
1 631 . 14 1 1 A 54 54 VAL CA C 54 62.299 62.012 0.287 1
1 632 . 14 1 1 A 54 54 VAL CB C 54 32.633 30.405 2.228 1
1 634 . 14 1 1 A 54 54 VAL N N 54 122.128 118.669 3.459 1
1 635 . 14 1 1 A 55 55 THR H H 55 8.233 8.085 0.148 1
1 636 . 14 1 1 A 55 55 THR HA H 55 4.212 4.270 -0.058 1
1 640 . 14 1 1 A 55 55 THR C C 55 173.647 175.411 -1.764 1
1 641 . 14 1 1 A 55 55 THR CA C 55 61.620 62.605 -0.985 1
1 642 . 14 1 1 A 55 55 THR CB C 55 69.862 69.453 0.409 1
1 644 . 14 1 1 A 55 55 THR N N 55 118.471 120.318 -1.847 1
1 3 . 15 1 1 A 2 2 THR H H 2 7.970 7.784 0.186 1
1 4 . 15 1 1 A 2 2 THR HA H 2 4.183 4.451 -0.268 1
1 9 . 15 1 1 A 2 2 THR C C 2 173.875 174.071 -0.196 1
1 10 . 15 1 1 A 2 2 THR CA C 2 61.768 60.741 1.027 1
1 11 . 15 1 1 A 2 2 THR CB C 2 69.631 70.286 -0.655 1
1 13 . 15 1 1 A 2 2 THR N N 2 128.423 113.038 15.385 1
1 14 . 15 1 1 A 3 3 TYR H H 3 8.247 8.267 -0.020 1
1 15 . 15 1 1 A 3 3 TYR HA H 3 4.271 4.913 -0.642 1
1 22 . 15 1 1 A 3 3 TYR C C 3 175.714 174.599 1.115 1
1 23 . 15 1 1 A 3 3 TYR CA C 3 58.145 57.169 0.976 1
1 24 . 15 1 1 A 3 3 TYR CB C 3 38.753 39.103 -0.350 1
1 27 . 15 1 1 A 3 3 TYR N N 3 123.871 120.336 3.535 1
1 28 . 15 1 1 A 4 4 LYS H H 4 8.009 7.346 0.663 1
1 29 . 15 1 1 A 4 4 LYS HA H 4 3.963 4.892 -0.929 1
1 36 . 15 1 1 A 4 4 LYS C C 4 175.979 174.406 1.573 1
1 37 . 15 1 1 A 4 4 LYS CA C 4 56.821 55.432 1.389 1
1 38 . 15 1 1 A 4 4 LYS CB C 4 32.981 35.039 -2.058 1
1 40 . 15 1 1 A 4 4 LYS N N 4 122.309 121.418 0.891 1
1 41 . 15 1 1 A 5 5 LEU H H 5 7.918 8.866 -0.948 1
1 42 . 15 1 1 A 5 5 LEU HA H 5 4.151 4.772 -0.621 1
1 49 . 15 1 1 A 5 5 LEU C C 5 176.945 176.506 0.439 1
1 50 . 15 1 1 A 5 5 LEU CA C 5 55.320 54.259 1.061 1
1 51 . 15 1 1 A 5 5 LEU CB C 5 42.054 44.208 -2.154 1
1 55 . 15 1 1 A 5 5 LEU N N 5 121.830 127.306 -5.476 1
1 56 . 15 1 1 A 6 6 ILE H H 6 7.974 8.586 -0.612 1
1 57 . 15 1 1 A 6 6 ILE HA H 6 3.959 3.901 0.058 1
1 67 . 15 1 1 A 6 6 ILE C C 6 176.110 174.848 1.262 1
1 68 . 15 1 1 A 6 6 ILE CA C 6 61.287 63.984 -2.697 1
1 69 . 15 1 1 A 6 6 ILE CB C 6 38.228 38.463 -0.235 1
1 73 . 15 1 1 A 6 6 ILE N N 6 121.898 126.781 -4.883 1
1 74 . 15 1 1 A 7 7 LEU H H 7 8.071 7.814 0.257 1
1 75 . 15 1 1 A 7 7 LEU HA H 7 4.316 4.913 -0.597 1
1 82 . 15 1 1 A 7 7 LEU C C 7 176.915 174.842 2.073 1
1 83 . 15 1 1 A 7 7 LEU CA C 7 55.177 53.928 1.249 1
1 84 . 15 1 1 A 7 7 LEU CB C 7 43.080 46.253 -3.173 1
1 86 . 15 1 1 A 7 7 LEU N N 7 125.296 121.573 3.723 1
1 87 . 15 1 1 A 8 8 ASN H H 8 8.021 8.682 -0.661 1
1 88 . 15 1 1 A 8 8 ASN HA H 8 4.570 5.133 -0.563 1
1 91 . 15 1 1 A 8 8 ASN C C 8 175.203 175.420 -0.217 1
1 92 . 15 1 1 A 8 8 ASN CA C 8 52.320 52.217 0.103 1
1 93 . 15 1 1 A 8 8 ASN CB C 8 39.229 39.153 0.076 1
1 94 . 15 1 1 A 8 8 ASN N N 8 117.805 123.531 -5.726 1
1 95 . 15 1 1 A 9 9 LEU H H 9 8.385 7.753 0.632 1
1 96 . 15 1 1 A 9 9 LEU HA H 9 3.718 4.187 -0.469 1
1 106 . 15 1 1 A 9 9 LEU C C 9 177.150 178.644 -1.494 1
1 107 . 15 1 1 A 9 9 LEU CA C 9 58.501 57.369 1.132 1
1 108 . 15 1 1 A 9 9 LEU CB C 9 42.085 41.863 0.222 1
1 111 . 15 1 1 A 9 9 LEU N N 9 122.110 123.190 -1.080 1
1 112 . 15 1 1 A 10 10 LYS H H 10 8.027 8.113 -0.086 1
1 113 . 15 1 1 A 10 10 LYS HA H 10 3.824 3.942 -0.118 1
1 118 . 15 1 1 A 10 10 LYS C C 10 178.555 178.858 -0.303 1
1 119 . 15 1 1 A 10 10 LYS CA C 10 59.893 59.717 0.176 1
1 120 . 15 1 1 A 10 10 LYS CB C 10 32.143 32.257 -0.114 1
1 123 . 15 1 1 A 10 10 LYS N N 10 118.739 118.845 -0.106 1
1 124 . 15 1 1 A 11 11 GLN H H 11 7.574 8.105 -0.531 1
1 125 . 15 1 1 A 11 11 GLN HA H 11 3.984 4.181 -0.197 1
1 130 . 15 1 1 A 11 11 GLN C C 11 175.218 178.251 -3.033 1
1 131 . 15 1 1 A 11 11 GLN CA C 11 59.252 58.371 0.881 1
1 132 . 15 1 1 A 11 11 GLN CB C 11 29.579 29.463 0.116 1
1 134 . 15 1 1 A 11 11 GLN N N 11 117.396 118.545 -1.149 1
1 135 . 15 1 1 A 12 12 ALA H H 12 8.432 8.209 0.223 1
1 136 . 15 1 1 A 12 12 ALA HA H 12 4.001 4.103 -0.102 1
1 140 . 15 1 1 A 12 12 ALA C C 12 179.374 180.198 -0.824 1
1 141 . 15 1 1 A 12 12 ALA CA C 12 55.373 55.000 0.373 1
1 142 . 15 1 1 A 12 12 ALA CB C 12 18.214 18.285 -0.071 1
1 143 . 15 1 1 A 12 12 ALA N N 12 122.547 123.015 -0.468 1
1 144 . 15 1 1 A 13 13 LYS H H 13 8.276 7.820 0.456 1
1 145 . 15 1 1 A 13 13 LYS HA H 13 3.404 4.141 -0.737 1
1 152 . 15 1 1 A 13 13 LYS C C 13 178.467 178.832 -0.365 1
1 153 . 15 1 1 A 13 13 LYS CA C 13 60.801 59.016 1.785 1
1 154 . 15 1 1 A 13 13 LYS CB C 13 33.111 32.253 0.858 1
1 157 . 15 1 1 A 13 13 LYS N N 13 116.459 117.651 -1.192 1
1 158 . 15 1 1 A 14 14 GLU H H 14 7.840 7.927 -0.087 1
1 159 . 15 1 1 A 14 14 GLU HA H 14 3.755 4.047 -0.292 1
1 164 . 15 1 1 A 14 14 GLU C C 14 177.720 178.330 -0.610 1
1 165 . 15 1 1 A 14 14 GLU CA C 14 59.737 59.536 0.201 1
1 166 . 15 1 1 A 14 14 GLU CB C 14 29.453 29.370 0.083 1
1 168 . 15 1 1 A 14 14 GLU N N 14 116.581 119.925 -3.344 1
1 169 . 15 1 1 A 15 15 GLU H H 15 8.269 8.603 -0.334 1
1 170 . 15 1 1 A 15 15 GLU HA H 15 3.961 4.083 -0.122 1
1 175 . 15 1 1 A 15 15 GLU C C 15 178.438 178.807 -0.369 1
1 176 . 15 1 1 A 15 15 GLU CA C 15 58.383 59.151 -0.768 1
1 177 . 15 1 1 A 15 15 GLU CB C 15 28.994 29.170 -0.176 1
1 179 . 15 1 1 A 15 15 GLU N N 15 115.657 119.625 -3.968 1
1 180 . 15 1 1 A 16 16 ALA H H 16 8.500 8.037 0.463 1
1 181 . 15 1 1 A 16 16 ALA HA H 16 3.939 4.106 -0.167 1
1 185 . 15 1 1 A 16 16 ALA C C 16 179.330 179.947 -0.617 1
1 186 . 15 1 1 A 16 16 ALA CA C 16 55.401 55.154 0.247 1
1 187 . 15 1 1 A 16 16 ALA CB C 16 18.980 18.405 0.575 1
1 188 . 15 1 1 A 16 16 ALA N N 16 122.087 122.161 -0.074 1
1 189 . 15 1 1 A 17 17 ILE H H 17 8.598 8.641 -0.043 1
1 190 . 15 1 1 A 17 17 ILE HA H 17 3.334 3.664 -0.330 1
1 195 . 15 1 1 A 17 17 ILE C C 17 177.120 177.981 -0.861 1
1 196 . 15 1 1 A 17 17 ILE CA C 17 66.876 65.393 1.483 1
1 197 . 15 1 1 A 17 17 ILE CB C 17 37.817 37.868 -0.051 1
1 200 . 15 1 1 A 17 17 ILE N N 17 117.395 118.410 -1.015 1
1 201 . 15 1 1 A 18 18 LYS H H 18 7.633 7.840 -0.207 1
1 202 . 15 1 1 A 18 18 LYS HA H 18 3.748 3.999 -0.251 1
1 209 . 15 1 1 A 18 18 LYS C C 18 179.199 178.197 1.002 1
1 210 . 15 1 1 A 18 18 LYS CA C 18 60.001 58.869 1.132 1
1 211 . 15 1 1 A 18 18 LYS CB C 18 32.538 32.123 0.415 1
1 213 . 15 1 1 A 18 18 LYS N N 18 119.143 120.907 -1.764 1
1 214 . 15 1 1 A 19 19 GLU H H 19 8.192 7.866 0.326 1
1 215 . 15 1 1 A 19 19 GLU HA H 19 3.942 4.097 -0.155 1
1 220 . 15 1 1 A 19 19 GLU C C 19 179.813 178.614 1.199 1
1 221 . 15 1 1 A 19 19 GLU CA C 19 59.577 58.913 0.664 1
1 222 . 15 1 1 A 19 19 GLU CB C 19 29.756 29.583 0.173 1
1 224 . 15 1 1 A 19 19 GLU N N 19 118.201 119.702 -1.501 1
1 225 . 15 1 1 A 20 20 LEU H H 20 8.128 8.140 -0.012 1
1 226 . 15 1 1 A 20 20 LEU HA H 20 3.877 4.163 -0.286 1
1 233 . 15 1 1 A 20 20 LEU C C 20 178.906 178.853 0.053 1
1 234 . 15 1 1 A 20 20 LEU CA C 20 58.171 57.915 0.256 1
1 235 . 15 1 1 A 20 20 LEU CB C 20 41.496 41.719 -0.223 1
1 238 . 15 1 1 A 20 20 LEU N N 20 119.841 121.604 -1.763 1
1 239 . 15 1 1 A 21 21 VAL H H 21 9.063 8.852 0.211 1
1 240 . 15 1 1 A 21 21 VAL HA H 21 3.608 3.583 0.025 1
1 245 . 15 1 1 A 21 21 VAL C C 21 176.301 177.451 -1.150 1
1 246 . 15 1 1 A 21 21 VAL CA C 21 66.684 67.214 -0.530 1
1 247 . 15 1 1 A 21 21 VAL CB C 21 31.879 31.357 0.522 1
1 249 . 15 1 1 A 21 21 VAL N N 21 122.114 119.548 2.566 1
1 250 . 15 1 1 A 22 22 ASP H H 22 8.427 7.756 0.671 1
1 251 . 15 1 1 A 22 22 ASP HA H 22 4.276 4.491 -0.215 1
1 254 . 15 1 1 A 22 22 ASP C C 22 177.428 178.010 -0.582 1
1 255 . 15 1 1 A 22 22 ASP CA C 22 57.143 56.769 0.374 1
1 256 . 15 1 1 A 22 22 ASP CB C 22 40.015 41.029 -1.014 1
1 257 . 15 1 1 A 22 22 ASP N N 22 122.544 120.536 2.008 1
1 258 . 15 1 1 A 23 23 ALA H H 23 7.451 7.834 -0.383 1
1 259 . 15 1 1 A 23 23 ALA HA H 23 4.284 4.340 -0.056 1
1 263 . 15 1 1 A 23 23 ALA C C 23 177.647 177.914 -0.267 1
1 264 . 15 1 1 A 23 23 ALA CA C 23 52.140 52.187 -0.047 1
1 265 . 15 1 1 A 23 23 ALA CB C 23 19.094 19.782 -0.688 1
1 266 . 15 1 1 A 23 23 ALA N N 23 119.690 118.895 0.795 1
1 267 . 15 1 1 A 24 24 GLY H H 24 8.007 8.400 -0.393 1
1 268 . 15 1 1 A 24 24 GLY HA2 H 24 3.930 3.944 -0.014 1
1 269 . 15 1 1 A 24 24 GLY HA3 H 24 3.786 3.956 -0.170 1
1 270 . 15 1 1 A 24 24 GLY C C 24 174.852 173.934 0.918 1
1 271 . 15 1 1 A 24 24 GLY CA C 24 45.939 47.019 -1.080 1
1 272 . 15 1 1 A 24 24 GLY N N 24 107.876 107.309 0.567 1
1 273 . 15 1 1 A 25 25 ILE H H 25 7.628 7.899 -0.271 1
1 274 . 15 1 1 A 25 25 ILE HA H 25 3.880 4.804 -0.924 1
1 281 . 15 1 1 A 25 25 ILE C C 25 174.954 175.093 -0.139 1
1 282 . 15 1 1 A 25 25 ILE CA C 25 58.787 59.783 -0.996 1
1 283 . 15 1 1 A 25 25 ILE CB C 25 36.014 41.208 -5.194 1
1 286 . 15 1 1 A 25 25 ILE N N 25 121.226 119.203 2.023 1
1 287 . 15 1 1 A 26 26 ALA H H 26 8.454 8.733 -0.279 1
1 288 . 15 1 1 A 26 26 ALA HA H 26 4.164 4.252 -0.088 1
1 292 . 15 1 1 A 26 26 ALA C C 26 178.921 178.621 0.300 1
1 293 . 15 1 1 A 26 26 ALA CA C 26 52.978 52.697 0.281 1
1 294 . 15 1 1 A 26 26 ALA CB C 26 19.648 19.327 0.321 1
1 295 . 15 1 1 A 26 26 ALA N N 26 127.062 126.604 0.458 1
1 296 . 15 1 1 A 27 27 GLU H H 27 8.652 8.793 -0.141 1
1 297 . 15 1 1 A 27 27 GLU HA H 27 3.728 4.010 -0.282 1
1 302 . 15 1 1 A 27 27 GLU C C 27 179.886 178.615 1.271 1
1 303 . 15 1 1 A 27 27 GLU CA C 27 59.830 59.681 0.149 1
1 304 . 15 1 1 A 27 27 GLU CB C 27 29.682 29.337 0.345 1
1 306 . 15 1 1 A 27 27 GLU N N 27 122.104 124.728 -2.624 1
1 307 . 15 1 1 A 28 28 LYS H H 28 8.315 8.143 0.172 1
1 308 . 15 1 1 A 28 28 LYS HA H 28 3.789 4.010 -0.221 1
1 315 . 15 1 1 A 28 28 LYS C C 28 177.179 178.720 -1.541 1
1 316 . 15 1 1 A 28 28 LYS CA C 28 58.673 59.360 -0.687 1
1 317 . 15 1 1 A 28 28 LYS CB C 28 31.279 32.131 -0.852 1
1 320 . 15 1 1 A 28 28 LYS N N 28 119.368 119.945 -0.577 1
1 321 . 15 1 1 A 29 29 TYR H H 29 7.372 8.147 -0.775 1
1 322 . 15 1 1 A 29 29 TYR HA H 29 4.448 4.263 0.185 1
1 329 . 15 1 1 A 29 29 TYR C C 29 177.413 178.537 -1.124 1
1 330 . 15 1 1 A 29 29 TYR CA C 29 59.246 60.727 -1.481 1
1 331 . 15 1 1 A 29 29 TYR CB C 29 38.528 37.525 1.003 1
1 336 . 15 1 1 A 29 29 TYR N N 29 116.907 118.924 -2.017 1
1 337 . 15 1 1 A 30 30 ILE H H 30 7.448 8.496 -1.048 1
1 338 . 15 1 1 A 30 30 ILE HA H 30 3.359 3.896 -0.537 1
1 345 . 15 1 1 A 30 30 ILE C C 30 177.662 177.786 -0.124 1
1 346 . 15 1 1 A 30 30 ILE CA C 30 65.541 63.505 2.036 1
1 347 . 15 1 1 A 30 30 ILE CB C 30 37.362 37.685 -0.323 1
1 350 . 15 1 1 A 30 30 ILE N N 30 120.953 120.945 0.008 1
1 351 . 15 1 1 A 31 31 LYS H H 31 7.835 8.169 -0.334 1
1 352 . 15 1 1 A 31 31 LYS HA H 31 3.831 4.058 -0.227 1
1 357 . 15 1 1 A 31 31 LYS C C 31 178.218 179.228 -1.010 1
1 358 . 15 1 1 A 31 31 LYS CA C 31 58.702 59.074 -0.372 1
1 359 . 15 1 1 A 31 31 LYS CB C 31 32.198 31.915 0.283 1
1 363 . 15 1 1 A 31 31 LYS N N 31 116.536 122.200 -5.664 1
1 364 . 15 1 1 A 32 32 LEU H H 32 7.335 7.770 -0.435 1
1 365 . 15 1 1 A 32 32 LEU HA H 32 3.905 3.913 -0.008 1
1 372 . 15 1 1 A 32 32 LEU C C 32 179.901 179.221 0.680 1
1 373 . 15 1 1 A 32 32 LEU CA C 32 57.366 57.782 -0.416 1
1 374 . 15 1 1 A 32 32 LEU CB C 32 41.550 41.252 0.298 1
1 377 . 15 1 1 A 32 32 LEU N N 32 117.191 118.922 -1.731 1
1 378 . 15 1 1 A 33 33 ILE H H 33 7.409 7.436 -0.027 1
1 379 . 15 1 1 A 33 33 ILE HA H 33 3.522 3.991 -0.469 1
1 389 . 15 1 1 A 33 33 ILE C C 33 177.354 178.189 -0.835 1
1 390 . 15 1 1 A 33 33 ILE CA C 33 62.128 63.446 -1.318 1
1 391 . 15 1 1 A 33 33 ILE CB C 33 35.578 37.947 -2.369 1
1 395 . 15 1 1 A 33 33 ILE N N 33 117.873 114.690 3.183 1
1 396 . 15 1 1 A 34 34 ALA H H 34 7.615 8.955 -1.340 1
1 397 . 15 1 1 A 34 34 ALA HA H 34 3.774 4.038 -0.264 1
1 401 . 15 1 1 A 34 34 ALA C C 34 178.789 179.941 -1.152 1
1 402 . 15 1 1 A 34 34 ALA CA C 34 54.717 54.830 -0.113 1
1 403 . 15 1 1 A 34 34 ALA CB C 34 18.384 18.442 -0.058 1
1 404 . 15 1 1 A 34 34 ALA N N 34 119.178 124.149 -4.971 1
1 405 . 15 1 1 A 35 35 ASN H H 35 7.354 8.062 -0.708 1
1 406 . 15 1 1 A 35 35 ASN HA H 35 4.572 4.681 -0.109 1
1 409 . 15 1 1 A 35 35 ASN C C 35 175.482 175.124 0.358 1
1 410 . 15 1 1 A 35 35 ASN CA C 35 52.835 53.416 -0.581 1
1 411 . 15 1 1 A 35 35 ASN CB C 35 39.178 38.973 0.205 1
1 412 . 15 1 1 A 35 35 ASN N N 35 113.033 116.872 -3.839 1
1 413 . 15 1 1 A 36 36 ALA H H 36 7.439 8.069 -0.630 1
1 414 . 15 1 1 A 36 36 ALA HA H 36 4.078 3.944 0.134 1
1 418 . 15 1 1 A 36 36 ALA C C 36 177.852 177.121 0.731 1
1 419 . 15 1 1 A 36 36 ALA CA C 36 53.179 54.014 -0.835 1
1 420 . 15 1 1 A 36 36 ALA CB C 36 19.460 17.915 1.545 1
1 421 . 15 1 1 A 36 36 ALA N N 36 123.843 121.083 2.760 1
1 422 . 15 1 1 A 37 37 LYS H H 37 8.739 8.732 0.007 1
1 423 . 15 1 1 A 37 37 LYS HA H 37 4.238 4.258 -0.020 1
1 428 . 15 1 1 A 37 37 LYS C C 37 176.652 175.277 1.375 1
1 429 . 15 1 1 A 37 37 LYS CA C 37 56.659 57.890 -1.231 1
1 430 . 15 1 1 A 37 37 LYS CB C 37 34.979 32.367 2.612 1
1 434 . 15 1 1 A 37 37 LYS N N 37 117.112 117.748 -0.636 1
1 435 . 15 1 1 A 38 38 THR H H 38 7.340 7.780 -0.440 1
1 436 . 15 1 1 A 38 38 THR HA H 38 4.515 4.632 -0.117 1
1 440 . 15 1 1 A 38 38 THR C C 38 173.974 174.683 -0.709 1
1 441 . 15 1 1 A 38 38 THR CA C 38 58.511 60.773 -2.262 1
1 442 . 15 1 1 A 38 38 THR CB C 38 72.797 69.016 3.781 1
1 444 . 15 1 1 A 38 38 THR N N 38 106.407 114.375 -7.968 1
1 445 . 15 1 1 A 39 39 VAL H H 39 8.886 8.044 0.842 1
1 446 . 15 1 1 A 39 39 VAL HA H 39 2.956 3.741 -0.785 1
1 451 . 15 1 1 A 39 39 VAL C C 39 176.754 176.588 0.166 1
1 452 . 15 1 1 A 39 39 VAL CA C 39 67.409 65.350 2.059 1
1 453 . 15 1 1 A 39 39 VAL CB C 39 30.821 31.881 -1.060 1
1 455 . 15 1 1 A 39 39 VAL N N 39 122.964 125.602 -2.638 1
1 456 . 15 1 1 A 40 40 GLU H H 40 8.839 7.883 0.956 1
1 457 . 15 1 1 A 40 40 GLU HA H 40 3.865 0.993 2.872 1
1 462 . 15 1 1 A 40 40 GLU C C 40 179.345 178.213 1.132 1
1 463 . 15 1 1 A 40 40 GLU CA C 40 60.003 58.264 1.739 1
1 464 . 15 1 1 A 40 40 GLU CB C 40 28.676 28.633 0.043 1
1 466 . 15 1 1 A 40 40 GLU N N 40 117.880 120.316 -2.436 1
1 467 . 15 1 1 A 41 41 GLY H H 41 8.095 7.988 0.107 1
1 468 . 15 1 1 A 41 41 GLY HA2 H 41 3.931 3.481 0.450 1
1 469 . 15 1 1 A 41 41 GLY HA3 H 41 3.730 3.537 0.193 1
1 470 . 15 1 1 A 41 41 GLY C C 41 176.271 175.568 0.703 1
1 471 . 15 1 1 A 41 41 GLY CA C 41 46.388 47.202 -0.814 1
1 472 . 15 1 1 A 41 41 GLY N N 41 108.686 107.229 1.457 1
1 473 . 15 1 1 A 42 42 VAL H H 42 7.772 8.873 -1.101 1
1 474 . 15 1 1 A 42 42 VAL HA H 42 3.087 3.703 -0.616 1
1 479 . 15 1 1 A 42 42 VAL C C 42 177.003 178.044 -1.041 1
1 480 . 15 1 1 A 42 42 VAL CA C 42 67.068 65.559 1.509 1
1 481 . 15 1 1 A 42 42 VAL CB C 42 30.987 31.668 -0.681 1
1 483 . 15 1 1 A 42 42 VAL N N 42 123.069 121.445 1.624 1
1 484 . 15 1 1 A 43 43 TRP H H 43 7.518 7.643 -0.125 1
1 485 . 15 1 1 A 43 43 TRP HA H 43 4.469 4.566 -0.097 1
1 493 . 15 1 1 A 43 43 TRP C C 43 179.023 179.050 -0.027 1
1 494 . 15 1 1 A 43 43 TRP CA C 43 59.134 58.879 0.255 1
1 495 . 15 1 1 A 43 43 TRP CB C 43 29.437 28.284 1.153 1
1 500 . 15 1 1 A 43 43 TRP N N 43 118.322 119.896 -1.574 1
1 502 . 15 1 1 A 44 44 THR H H 44 8.408 7.784 0.624 1
1 503 . 15 1 1 A 44 44 THR HA H 44 3.971 4.279 -0.308 1
1 508 . 15 1 1 A 44 44 THR C C 44 177.047 176.599 0.448 1
1 509 . 15 1 1 A 44 44 THR CA C 44 66.396 67.095 -0.699 1
1 510 . 15 1 1 A 44 44 THR CB C 44 69.069 68.579 0.490 1
1 512 . 15 1 1 A 44 44 THR N N 44 114.912 116.480 -1.568 1
1 513 . 15 1 1 A 45 45 LEU H H 45 7.862 9.794 -1.932 1
1 514 . 15 1 1 A 45 45 LEU HA H 45 3.584 3.993 -0.409 1
1 521 . 15 1 1 A 45 45 LEU C C 45 178.189 179.689 -1.500 1
1 522 . 15 1 1 A 45 45 LEU CA C 45 57.671 57.774 -0.103 1
1 523 . 15 1 1 A 45 45 LEU CB C 45 42.389 40.786 1.603 1
1 525 . 15 1 1 A 45 45 LEU N N 45 123.153 120.820 2.333 1
1 526 . 15 1 1 A 46 46 LYS H H 46 8.569 7.681 0.888 1
1 527 . 15 1 1 A 46 46 LYS HA H 46 3.587 4.109 -0.522 1
1 532 . 15 1 1 A 46 46 LYS C C 46 177.354 178.794 -1.440 1
1 533 . 15 1 1 A 46 46 LYS CA C 46 60.799 59.730 1.069 1
1 534 . 15 1 1 A 46 46 LYS CB C 46 30.790 32.210 -1.420 1
1 536 . 15 1 1 A 46 46 LYS N N 46 119.398 121.072 -1.674 1
1 537 . 15 1 1 A 47 47 ASP H H 47 7.694 8.225 -0.531 1
1 538 . 15 1 1 A 47 47 ASP HA H 47 4.325 4.403 -0.078 1
1 541 . 15 1 1 A 47 47 ASP C C 47 179.023 178.718 0.305 1
1 542 . 15 1 1 A 47 47 ASP CA C 47 57.107 56.873 0.234 1
1 543 . 15 1 1 A 47 47 ASP CB C 47 40.292 40.818 -0.526 1
1 544 . 15 1 1 A 47 47 ASP N N 47 116.887 119.905 -3.018 1
1 545 . 15 1 1 A 48 48 GLU H H 48 7.931 8.097 -0.166 1
1 546 . 15 1 1 A 48 48 GLU HA H 48 3.773 4.118 -0.345 1
1 551 . 15 1 1 A 48 48 GLU C C 48 179.125 178.406 0.719 1
1 552 . 15 1 1 A 48 48 GLU CA C 48 59.422 58.709 0.713 1
1 553 . 15 1 1 A 48 48 GLU CB C 48 29.598 29.472 0.126 1
1 555 . 15 1 1 A 48 48 GLU N N 48 121.719 118.990 2.729 1
1 556 . 15 1 1 A 49 49 ILE H H 49 8.553 8.652 -0.099 1
1 557 . 15 1 1 A 49 49 ILE HA H 49 3.424 3.116 0.308 1
1 565 . 15 1 1 A 49 49 ILE C C 49 178.262 176.920 1.342 1
1 566 . 15 1 1 A 49 49 ILE CA C 49 64.372 62.431 1.941 1
1 567 . 15 1 1 A 49 49 ILE CB C 49 38.278 37.144 1.134 1
1 571 . 15 1 1 A 49 49 ILE N N 49 120.672 120.243 0.429 1
1 572 . 15 1 1 A 50 50 LEU H H 50 7.831 7.526 0.305 1
1 573 . 15 1 1 A 50 50 LEU HA H 50 3.795 4.170 -0.375 1
1 580 . 15 1 1 A 50 50 LEU C C 50 178.247 179.159 -0.912 1
1 581 . 15 1 1 A 50 50 LEU CA C 50 57.039 57.506 -0.467 1
1 582 . 15 1 1 A 50 50 LEU CB C 50 41.815 42.101 -0.286 1
1 585 . 15 1 1 A 50 50 LEU N N 50 117.810 122.099 -4.289 1
1 586 . 15 1 1 A 51 51 THR H H 51 7.560 7.903 -0.343 1
1 587 . 15 1 1 A 51 51 THR HA H 51 4.066 4.081 -0.015 1
1 592 . 15 1 1 A 51 51 THR C C 51 175.276 175.505 -0.229 1
1 593 . 15 1 1 A 51 51 THR CA C 51 63.281 65.294 -2.013 1
1 594 . 15 1 1 A 51 51 THR CB C 51 69.695 68.540 1.155 1
1 596 . 15 1 1 A 51 51 THR N N 51 110.196 115.509 -5.313 1
1 597 . 15 1 1 A 52 52 PHE H H 52 7.744 7.766 -0.022 1
1 598 . 15 1 1 A 52 52 PHE HA H 52 4.484 4.517 -0.033 1
1 605 . 15 1 1 A 52 52 PHE C C 52 176.549 174.550 1.999 1
1 606 . 15 1 1 A 52 52 PHE CA C 52 57.742 57.484 0.258 1
1 607 . 15 1 1 A 52 52 PHE CB C 52 37.819 39.023 -1.204 1
1 612 . 15 1 1 A 52 52 PHE N N 52 120.944 118.077 2.867 1
1 613 . 15 1 1 A 53 53 THR H H 53 8.028 7.816 0.212 1
1 614 . 15 1 1 A 53 53 THR HA H 53 4.085 4.395 -0.310 1
1 619 . 15 1 1 A 53 53 THR C C 53 174.471 175.350 -0.879 1
1 620 . 15 1 1 A 53 53 THR CA C 53 62.330 63.421 -1.091 1
1 621 . 15 1 1 A 53 53 THR CB C 53 69.725 70.608 -0.883 1
1 623 . 15 1 1 A 53 53 THR N N 53 113.551 111.473 2.078 1
1 624 . 15 1 1 A 54 54 VAL H H 54 7.827 8.169 -0.342 1
1 625 . 15 1 1 A 54 54 VAL HA H 54 4.047 3.705 0.342 1
1 630 . 15 1 1 A 54 54 VAL C C 54 176.067 176.050 0.017 1
1 631 . 15 1 1 A 54 54 VAL CA C 54 62.299 65.413 -3.114 1
1 632 . 15 1 1 A 54 54 VAL CB C 54 32.633 30.203 2.430 1
1 634 . 15 1 1 A 54 54 VAL N N 54 122.128 118.132 3.996 1
1 635 . 15 1 1 A 55 55 THR H H 55 8.233 8.453 -0.220 1
1 636 . 15 1 1 A 55 55 THR HA H 55 4.212 4.518 -0.306 1
1 640 . 15 1 1 A 55 55 THR C C 55 173.647 175.181 -1.534 1
1 641 . 15 1 1 A 55 55 THR CA C 55 61.620 63.623 -2.003 1
1 642 . 15 1 1 A 55 55 THR CB C 55 69.862 70.179 -0.317 1
1 644 . 15 1 1 A 55 55 THR N N 55 118.471 112.645 5.826 1
1 3 . 16 1 1 A 2 2 THR H H 2 7.970 8.628 -0.658 1
1 4 . 16 1 1 A 2 2 THR HA H 2 4.183 4.518 -0.335 1
1 9 . 16 1 1 A 2 2 THR C C 2 173.875 175.697 -1.822 1
1 10 . 16 1 1 A 2 2 THR CA C 2 61.768 62.630 -0.862 1
1 11 . 16 1 1 A 2 2 THR CB C 2 69.631 70.319 -0.688 1
1 13 . 16 1 1 A 2 2 THR N N 2 128.423 114.816 13.607 1
1 14 . 16 1 1 A 3 3 TYR H H 3 8.247 8.104 0.143 1
1 15 . 16 1 1 A 3 3 TYR HA H 3 4.271 4.193 0.078 1
1 22 . 16 1 1 A 3 3 TYR C C 3 175.714 174.664 1.050 1
1 23 . 16 1 1 A 3 3 TYR CA C 3 58.145 58.893 -0.748 1
1 24 . 16 1 1 A 3 3 TYR CB C 3 38.753 36.584 2.169 1
1 27 . 16 1 1 A 3 3 TYR N N 3 123.871 119.796 4.075 1
1 28 . 16 1 1 A 4 4 LYS H H 4 8.009 7.760 0.249 1
1 29 . 16 1 1 A 4 4 LYS HA H 4 3.963 4.540 -0.577 1
1 36 . 16 1 1 A 4 4 LYS C C 4 175.979 174.506 1.473 1
1 37 . 16 1 1 A 4 4 LYS CA C 4 56.821 55.947 0.874 1
1 38 . 16 1 1 A 4 4 LYS CB C 4 32.981 33.153 -0.172 1
1 40 . 16 1 1 A 4 4 LYS N N 4 122.309 118.679 3.630 1
1 41 . 16 1 1 A 5 5 LEU H H 5 7.918 8.906 -0.988 1
1 42 . 16 1 1 A 5 5 LEU HA H 5 4.151 4.856 -0.705 1
1 49 . 16 1 1 A 5 5 LEU C C 5 176.945 176.971 -0.026 1
1 50 . 16 1 1 A 5 5 LEU CA C 5 55.320 53.193 2.127 1
1 51 . 16 1 1 A 5 5 LEU CB C 5 42.054 44.543 -2.489 1
1 55 . 16 1 1 A 5 5 LEU N N 5 121.830 126.486 -4.656 1
1 56 . 16 1 1 A 6 6 ILE H H 6 7.974 8.612 -0.638 1
1 57 . 16 1 1 A 6 6 ILE HA H 6 3.959 3.930 0.029 1
1 67 . 16 1 1 A 6 6 ILE C C 6 176.110 176.883 -0.773 1
1 68 . 16 1 1 A 6 6 ILE CA C 6 61.287 63.533 -2.246 1
1 69 . 16 1 1 A 6 6 ILE CB C 6 38.228 38.628 -0.400 1
1 73 . 16 1 1 A 6 6 ILE N N 6 121.898 121.913 -0.015 1
1 74 . 16 1 1 A 7 7 LEU H H 7 8.071 7.735 0.336 1
1 75 . 16 1 1 A 7 7 LEU HA H 7 4.316 4.471 -0.155 1
1 82 . 16 1 1 A 7 7 LEU C C 7 176.915 177.387 -0.472 1
1 83 . 16 1 1 A 7 7 LEU CA C 7 55.177 55.975 -0.798 1
1 84 . 16 1 1 A 7 7 LEU CB C 7 43.080 44.653 -1.573 1
1 86 . 16 1 1 A 7 7 LEU N N 7 125.296 118.609 6.687 1
1 87 . 16 1 1 A 8 8 ASN H H 8 8.021 8.347 -0.326 1
1 88 . 16 1 1 A 8 8 ASN HA H 8 4.570 4.714 -0.144 1
1 91 . 16 1 1 A 8 8 ASN C C 8 175.203 175.795 -0.592 1
1 92 . 16 1 1 A 8 8 ASN CA C 8 52.320 54.571 -2.251 1
1 93 . 16 1 1 A 8 8 ASN CB C 8 39.229 38.223 1.006 1
1 94 . 16 1 1 A 8 8 ASN N N 8 117.805 117.514 0.291 1
1 95 . 16 1 1 A 9 9 LEU H H 9 8.385 7.979 0.406 1
1 96 . 16 1 1 A 9 9 LEU HA H 9 3.718 4.122 -0.404 1
1 106 . 16 1 1 A 9 9 LEU C C 9 177.150 178.507 -1.357 1
1 107 . 16 1 1 A 9 9 LEU CA C 9 58.501 58.585 -0.084 1
1 108 . 16 1 1 A 9 9 LEU CB C 9 42.085 41.877 0.208 1
1 111 . 16 1 1 A 9 9 LEU N N 9 122.110 121.669 0.441 1
1 112 . 16 1 1 A 10 10 LYS H H 10 8.027 8.068 -0.041 1
1 113 . 16 1 1 A 10 10 LYS HA H 10 3.824 3.956 -0.132 1
1 118 . 16 1 1 A 10 10 LYS C C 10 178.555 178.283 0.272 1
1 119 . 16 1 1 A 10 10 LYS CA C 10 59.893 59.770 0.123 1
1 120 . 16 1 1 A 10 10 LYS CB C 10 32.143 32.411 -0.268 1
1 123 . 16 1 1 A 10 10 LYS N N 10 118.739 118.723 0.016 1
1 124 . 16 1 1 A 11 11 GLN H H 11 7.574 7.931 -0.357 1
1 125 . 16 1 1 A 11 11 GLN HA H 11 3.984 4.153 -0.169 1
1 130 . 16 1 1 A 11 11 GLN C C 11 175.218 178.210 -2.992 1
1 131 . 16 1 1 A 11 11 GLN CA C 11 59.252 58.340 0.912 1
1 132 . 16 1 1 A 11 11 GLN CB C 11 29.579 28.475 1.104 1
1 134 . 16 1 1 A 11 11 GLN N N 11 117.396 119.148 -1.752 1
1 135 . 16 1 1 A 12 12 ALA H H 12 8.432 8.432 0.000 1
1 136 . 16 1 1 A 12 12 ALA HA H 12 4.001 3.891 0.110 1
1 140 . 16 1 1 A 12 12 ALA C C 12 179.374 180.188 -0.814 1
1 141 . 16 1 1 A 12 12 ALA CA C 12 55.373 54.971 0.402 1
1 142 . 16 1 1 A 12 12 ALA CB C 12 18.214 18.470 -0.256 1
1 143 . 16 1 1 A 12 12 ALA N N 12 122.547 122.702 -0.155 1
1 144 . 16 1 1 A 13 13 LYS H H 13 8.276 8.006 0.270 1
1 145 . 16 1 1 A 13 13 LYS HA H 13 3.404 4.070 -0.666 1
1 152 . 16 1 1 A 13 13 LYS C C 13 178.467 178.759 -0.292 1
1 153 . 16 1 1 A 13 13 LYS CA C 13 60.801 58.885 1.916 1
1 154 . 16 1 1 A 13 13 LYS CB C 13 33.111 32.248 0.863 1
1 157 . 16 1 1 A 13 13 LYS N N 13 116.459 117.514 -1.055 1
1 158 . 16 1 1 A 14 14 GLU H H 14 7.840 7.852 -0.012 1
1 159 . 16 1 1 A 14 14 GLU HA H 14 3.755 4.018 -0.263 1
1 164 . 16 1 1 A 14 14 GLU C C 14 177.720 178.457 -0.737 1
1 165 . 16 1 1 A 14 14 GLU CA C 14 59.737 59.489 0.248 1
1 166 . 16 1 1 A 14 14 GLU CB C 14 29.453 29.224 0.229 1
1 168 . 16 1 1 A 14 14 GLU N N 14 116.581 119.849 -3.268 1
1 169 . 16 1 1 A 15 15 GLU H H 15 8.269 8.338 -0.069 1
1 170 . 16 1 1 A 15 15 GLU HA H 15 3.961 3.999 -0.038 1
1 175 . 16 1 1 A 15 15 GLU C C 15 178.438 178.565 -0.127 1
1 176 . 16 1 1 A 15 15 GLU CA C 15 58.383 59.155 -0.772 1
1 177 . 16 1 1 A 15 15 GLU CB C 15 28.994 29.017 -0.023 1
1 179 . 16 1 1 A 15 15 GLU N N 15 115.657 119.623 -3.966 1
1 180 . 16 1 1 A 16 16 ALA H H 16 8.500 7.490 1.010 1
1 181 . 16 1 1 A 16 16 ALA HA H 16 3.939 3.978 -0.039 1
1 185 . 16 1 1 A 16 16 ALA C C 16 179.330 180.393 -1.063 1
1 186 . 16 1 1 A 16 16 ALA CA C 16 55.401 54.880 0.521 1
1 187 . 16 1 1 A 16 16 ALA CB C 16 18.980 18.534 0.446 1
1 188 . 16 1 1 A 16 16 ALA N N 16 122.087 121.709 0.378 1
1 189 . 16 1 1 A 17 17 ILE H H 17 8.598 8.671 -0.073 1
1 190 . 16 1 1 A 17 17 ILE HA H 17 3.334 3.867 -0.533 1
1 195 . 16 1 1 A 17 17 ILE C C 17 177.120 178.372 -1.252 1
1 196 . 16 1 1 A 17 17 ILE CA C 17 66.876 64.026 2.850 1
1 197 . 16 1 1 A 17 17 ILE CB C 17 37.817 37.332 0.485 1
1 200 . 16 1 1 A 17 17 ILE N N 17 117.395 119.746 -2.351 1
1 201 . 16 1 1 A 18 18 LYS H H 18 7.633 7.638 -0.005 1
1 202 . 16 1 1 A 18 18 LYS HA H 18 3.748 4.025 -0.277 1
1 209 . 16 1 1 A 18 18 LYS C C 18 179.199 179.229 -0.030 1
1 210 . 16 1 1 A 18 18 LYS CA C 18 60.001 59.792 0.209 1
1 211 . 16 1 1 A 18 18 LYS CB C 18 32.538 32.259 0.279 1
1 213 . 16 1 1 A 18 18 LYS N N 18 119.143 122.389 -3.246 1
1 214 . 16 1 1 A 19 19 GLU H H 19 8.192 7.605 0.587 1
1 215 . 16 1 1 A 19 19 GLU HA H 19 3.942 4.053 -0.111 1
1 220 . 16 1 1 A 19 19 GLU C C 19 179.813 178.865 0.948 1
1 221 . 16 1 1 A 19 19 GLU CA C 19 59.577 58.972 0.605 1
1 222 . 16 1 1 A 19 19 GLU CB C 19 29.756 29.469 0.287 1
1 224 . 16 1 1 A 19 19 GLU N N 19 118.201 120.304 -2.103 1
1 225 . 16 1 1 A 20 20 LEU H H 20 8.128 8.148 -0.020 1
1 226 . 16 1 1 A 20 20 LEU HA H 20 3.877 4.116 -0.239 1
1 233 . 16 1 1 A 20 20 LEU C C 20 178.906 178.989 -0.083 1
1 234 . 16 1 1 A 20 20 LEU CA C 20 58.171 57.967 0.204 1
1 235 . 16 1 1 A 20 20 LEU CB C 20 41.496 41.725 -0.229 1
1 238 . 16 1 1 A 20 20 LEU N N 20 119.841 121.575 -1.734 1
1 239 . 16 1 1 A 21 21 VAL H H 21 9.063 8.066 0.997 1
1 240 . 16 1 1 A 21 21 VAL HA H 21 3.608 3.542 0.066 1
1 245 . 16 1 1 A 21 21 VAL C C 21 176.301 178.003 -1.702 1
1 246 . 16 1 1 A 21 21 VAL CA C 21 66.684 67.213 -0.529 1
1 247 . 16 1 1 A 21 21 VAL CB C 21 31.879 31.285 0.594 1
1 249 . 16 1 1 A 21 21 VAL N N 21 122.114 119.510 2.604 1
1 250 . 16 1 1 A 22 22 ASP H H 22 8.427 8.009 0.418 1
1 251 . 16 1 1 A 22 22 ASP HA H 22 4.276 4.369 -0.093 1
1 254 . 16 1 1 A 22 22 ASP C C 22 177.428 178.274 -0.846 1
1 255 . 16 1 1 A 22 22 ASP CA C 22 57.143 56.865 0.278 1
1 256 . 16 1 1 A 22 22 ASP CB C 22 40.015 40.776 -0.761 1
1 257 . 16 1 1 A 22 22 ASP N N 22 122.544 120.743 1.801 1
1 258 . 16 1 1 A 23 23 ALA H H 23 7.451 7.873 -0.422 1
1 259 . 16 1 1 A 23 23 ALA HA H 23 4.284 4.313 -0.029 1
1 263 . 16 1 1 A 23 23 ALA C C 23 177.647 177.866 -0.219 1
1 264 . 16 1 1 A 23 23 ALA CA C 23 52.140 52.252 -0.112 1
1 265 . 16 1 1 A 23 23 ALA CB C 23 19.094 19.686 -0.592 1
1 266 . 16 1 1 A 23 23 ALA N N 23 119.690 118.736 0.954 1
1 267 . 16 1 1 A 24 24 GLY H H 24 8.007 8.298 -0.291 1
1 268 . 16 1 1 A 24 24 GLY HA2 H 24 3.930 3.908 0.022 1
1 269 . 16 1 1 A 24 24 GLY HA3 H 24 3.786 3.922 -0.136 1
1 270 . 16 1 1 A 24 24 GLY C C 24 174.852 173.870 0.982 1
1 271 . 16 1 1 A 24 24 GLY CA C 24 45.939 46.995 -1.056 1
1 272 . 16 1 1 A 24 24 GLY N N 24 107.876 107.297 0.579 1
1 273 . 16 1 1 A 25 25 ILE H H 25 7.628 7.839 -0.211 1
1 274 . 16 1 1 A 25 25 ILE HA H 25 3.880 4.802 -0.922 1
1 281 . 16 1 1 A 25 25 ILE C C 25 174.954 174.798 0.156 1
1 282 . 16 1 1 A 25 25 ILE CA C 25 58.787 59.290 -0.503 1
1 283 . 16 1 1 A 25 25 ILE CB C 25 36.014 41.575 -5.561 1
1 286 . 16 1 1 A 25 25 ILE N N 25 121.226 119.513 1.713 1
1 287 . 16 1 1 A 26 26 ALA H H 26 8.454 8.704 -0.250 1
1 288 . 16 1 1 A 26 26 ALA HA H 26 4.164 4.264 -0.100 1
1 292 . 16 1 1 A 26 26 ALA C C 26 178.921 178.248 0.673 1
1 293 . 16 1 1 A 26 26 ALA CA C 26 52.978 52.679 0.299 1
1 294 . 16 1 1 A 26 26 ALA CB C 26 19.648 19.256 0.392 1
1 295 . 16 1 1 A 26 26 ALA N N 26 127.062 126.269 0.793 1
1 296 . 16 1 1 A 27 27 GLU H H 27 8.652 8.654 -0.002 1
1 297 . 16 1 1 A 27 27 GLU HA H 27 3.728 4.117 -0.389 1
1 302 . 16 1 1 A 27 27 GLU C C 27 179.886 178.859 1.027 1
1 303 . 16 1 1 A 27 27 GLU CA C 27 59.830 59.330 0.500 1
1 304 . 16 1 1 A 27 27 GLU CB C 27 29.682 29.258 0.424 1
1 306 . 16 1 1 A 27 27 GLU N N 27 122.104 124.670 -2.566 1
1 307 . 16 1 1 A 28 28 LYS H H 28 8.315 8.021 0.294 1
1 308 . 16 1 1 A 28 28 LYS HA H 28 3.789 3.930 -0.141 1
1 315 . 16 1 1 A 28 28 LYS C C 28 177.179 178.472 -1.293 1
1 316 . 16 1 1 A 28 28 LYS CA C 28 58.673 59.249 -0.576 1
1 317 . 16 1 1 A 28 28 LYS CB C 28 31.279 31.956 -0.677 1
1 320 . 16 1 1 A 28 28 LYS N N 28 119.368 121.338 -1.970 1
1 321 . 16 1 1 A 29 29 TYR H H 29 7.372 7.864 -0.492 1
1 322 . 16 1 1 A 29 29 TYR HA H 29 4.448 4.305 0.143 1
1 329 . 16 1 1 A 29 29 TYR C C 29 177.413 178.491 -1.078 1
1 330 . 16 1 1 A 29 29 TYR CA C 29 59.246 61.050 -1.804 1
1 331 . 16 1 1 A 29 29 TYR CB C 29 38.528 37.727 0.801 1
1 336 . 16 1 1 A 29 29 TYR N N 29 116.907 119.009 -2.102 1
1 337 . 16 1 1 A 30 30 ILE H H 30 7.448 8.527 -1.079 1
1 338 . 16 1 1 A 30 30 ILE HA H 30 3.359 3.923 -0.564 1
1 345 . 16 1 1 A 30 30 ILE C C 30 177.662 177.740 -0.078 1
1 346 . 16 1 1 A 30 30 ILE CA C 30 65.541 63.376 2.165 1
1 347 . 16 1 1 A 30 30 ILE CB C 30 37.362 37.483 -0.121 1
1 350 . 16 1 1 A 30 30 ILE N N 30 120.953 120.343 0.610 1
1 351 . 16 1 1 A 31 31 LYS H H 31 7.835 8.152 -0.317 1
1 352 . 16 1 1 A 31 31 LYS HA H 31 3.831 4.071 -0.240 1
1 357 . 16 1 1 A 31 31 LYS C C 31 178.218 179.076 -0.858 1
1 358 . 16 1 1 A 31 31 LYS CA C 31 58.702 59.000 -0.298 1
1 359 . 16 1 1 A 31 31 LYS CB C 31 32.198 31.890 0.308 1
1 363 . 16 1 1 A 31 31 LYS N N 31 116.536 122.154 -5.618 1
1 364 . 16 1 1 A 32 32 LEU H H 32 7.335 7.722 -0.387 1
1 365 . 16 1 1 A 32 32 LEU HA H 32 3.905 4.009 -0.104 1
1 372 . 16 1 1 A 32 32 LEU C C 32 179.901 179.553 0.348 1
1 373 . 16 1 1 A 32 32 LEU CA C 32 57.366 58.024 -0.658 1
1 374 . 16 1 1 A 32 32 LEU CB C 32 41.550 41.566 -0.016 1
1 377 . 16 1 1 A 32 32 LEU N N 32 117.191 118.703 -1.512 1
1 378 . 16 1 1 A 33 33 ILE H H 33 7.409 7.433 -0.024 1
1 379 . 16 1 1 A 33 33 ILE HA H 33 3.522 3.996 -0.474 1
1 389 . 16 1 1 A 33 33 ILE C C 33 177.354 178.202 -0.848 1
1 390 . 16 1 1 A 33 33 ILE CA C 33 62.128 63.531 -1.403 1
1 391 . 16 1 1 A 33 33 ILE CB C 33 35.578 37.886 -2.308 1
1 395 . 16 1 1 A 33 33 ILE N N 33 117.873 113.803 4.070 1
1 396 . 16 1 1 A 34 34 ALA H H 34 7.615 9.005 -1.390 1
1 397 . 16 1 1 A 34 34 ALA HA H 34 3.774 4.067 -0.293 1
1 401 . 16 1 1 A 34 34 ALA C C 34 178.789 180.122 -1.333 1
1 402 . 16 1 1 A 34 34 ALA CA C 34 54.717 54.774 -0.057 1
1 403 . 16 1 1 A 34 34 ALA CB C 34 18.384 18.247 0.137 1
1 404 . 16 1 1 A 34 34 ALA N N 34 119.178 124.182 -5.004 1
1 405 . 16 1 1 A 35 35 ASN H H 35 7.354 8.174 -0.820 1
1 406 . 16 1 1 A 35 35 ASN HA H 35 4.572 4.659 -0.087 1
1 409 . 16 1 1 A 35 35 ASN C C 35 175.482 175.064 0.418 1
1 410 . 16 1 1 A 35 35 ASN CA C 35 52.835 53.651 -0.816 1
1 411 . 16 1 1 A 35 35 ASN CB C 35 39.178 38.949 0.229 1
1 412 . 16 1 1 A 35 35 ASN N N 35 113.033 117.183 -4.150 1
1 413 . 16 1 1 A 36 36 ALA H H 36 7.439 7.989 -0.550 1
1 414 . 16 1 1 A 36 36 ALA HA H 36 4.078 3.969 0.109 1
1 418 . 16 1 1 A 36 36 ALA C C 36 177.852 177.016 0.836 1
1 419 . 16 1 1 A 36 36 ALA CA C 36 53.179 54.207 -1.028 1
1 420 . 16 1 1 A 36 36 ALA CB C 36 19.460 17.987 1.473 1
1 421 . 16 1 1 A 36 36 ALA N N 36 123.843 120.817 3.026 1
1 422 . 16 1 1 A 37 37 LYS H H 37 8.739 8.771 -0.032 1
1 423 . 16 1 1 A 37 37 LYS HA H 37 4.238 4.261 -0.023 1
1 428 . 16 1 1 A 37 37 LYS C C 37 176.652 175.046 1.606 1
1 429 . 16 1 1 A 37 37 LYS CA C 37 56.659 57.764 -1.105 1
1 430 . 16 1 1 A 37 37 LYS CB C 37 34.979 32.232 2.747 1
1 434 . 16 1 1 A 37 37 LYS N N 37 117.112 119.125 -2.013 1
1 435 . 16 1 1 A 38 38 THR H H 38 7.340 7.856 -0.516 1
1 436 . 16 1 1 A 38 38 THR HA H 38 4.515 4.531 -0.016 1
1 440 . 16 1 1 A 38 38 THR C C 38 173.974 174.514 -0.540 1
1 441 . 16 1 1 A 38 38 THR CA C 38 58.511 61.670 -3.159 1
1 442 . 16 1 1 A 38 38 THR CB C 38 72.797 69.229 3.568 1
1 444 . 16 1 1 A 38 38 THR N N 38 106.407 113.621 -7.214 1
1 445 . 16 1 1 A 39 39 VAL H H 39 8.886 8.315 0.571 1
1 446 . 16 1 1 A 39 39 VAL HA H 39 2.956 3.848 -0.892 1
1 451 . 16 1 1 A 39 39 VAL C C 39 176.754 177.093 -0.339 1
1 452 . 16 1 1 A 39 39 VAL CA C 39 67.409 65.559 1.850 1
1 453 . 16 1 1 A 39 39 VAL CB C 39 30.821 31.953 -1.132 1
1 455 . 16 1 1 A 39 39 VAL N N 39 122.964 128.152 -5.188 1
1 456 . 16 1 1 A 40 40 GLU H H 40 8.839 8.675 0.164 1
1 457 . 16 1 1 A 40 40 GLU HA H 40 3.865 4.105 -0.240 1
1 462 . 16 1 1 A 40 40 GLU C C 40 179.345 180.046 -0.701 1
1 463 . 16 1 1 A 40 40 GLU CA C 40 60.003 59.528 0.475 1
1 464 . 16 1 1 A 40 40 GLU CB C 40 28.676 28.998 -0.322 1
1 466 . 16 1 1 A 40 40 GLU N N 40 117.880 120.465 -2.585 1
1 467 . 16 1 1 A 41 41 GLY H H 41 8.095 8.355 -0.260 1
1 468 . 16 1 1 A 41 41 GLY HA2 H 41 3.931 3.739 0.192 1
1 469 . 16 1 1 A 41 41 GLY HA3 H 41 3.730 3.750 -0.020 1
1 470 . 16 1 1 A 41 41 GLY C C 41 176.271 175.667 0.604 1
1 471 . 16 1 1 A 41 41 GLY CA C 41 46.388 47.564 -1.176 1
1 472 . 16 1 1 A 41 41 GLY N N 41 108.686 109.132 -0.446 1
1 473 . 16 1 1 A 42 42 VAL H H 42 7.772 9.098 -1.326 1
1 474 . 16 1 1 A 42 42 VAL HA H 42 3.087 3.767 -0.680 1
1 479 . 16 1 1 A 42 42 VAL C C 42 177.003 178.007 -1.004 1
1 480 . 16 1 1 A 42 42 VAL CA C 42 67.068 65.641 1.427 1
1 481 . 16 1 1 A 42 42 VAL CB C 42 30.987 31.546 -0.559 1
1 483 . 16 1 1 A 42 42 VAL N N 42 123.069 121.956 1.113 1
1 484 . 16 1 1 A 43 43 TRP H H 43 7.518 7.571 -0.053 1
1 485 . 16 1 1 A 43 43 TRP HA H 43 4.469 4.347 0.122 1
1 493 . 16 1 1 A 43 43 TRP C C 43 179.023 178.278 0.745 1
1 494 . 16 1 1 A 43 43 TRP CA C 43 59.134 60.458 -1.324 1
1 495 . 16 1 1 A 43 43 TRP CB C 43 29.437 29.566 -0.129 1
1 500 . 16 1 1 A 43 43 TRP N N 43 118.322 121.611 -3.289 1
1 502 . 16 1 1 A 44 44 THR H H 44 8.408 8.302 0.106 1
1 503 . 16 1 1 A 44 44 THR HA H 44 3.971 4.203 -0.232 1
1 508 . 16 1 1 A 44 44 THR C C 44 177.047 176.578 0.469 1
1 509 . 16 1 1 A 44 44 THR CA C 44 66.396 67.053 -0.657 1
1 510 . 16 1 1 A 44 44 THR CB C 44 69.069 68.547 0.522 1
1 512 . 16 1 1 A 44 44 THR N N 44 114.912 115.658 -0.746 1
1 513 . 16 1 1 A 45 45 LEU H H 45 7.862 9.946 -2.084 1
1 514 . 16 1 1 A 45 45 LEU HA H 45 3.584 3.912 -0.328 1
1 521 . 16 1 1 A 45 45 LEU C C 45 178.189 179.472 -1.283 1
1 522 . 16 1 1 A 45 45 LEU CA C 45 57.671 57.763 -0.092 1
1 523 . 16 1 1 A 45 45 LEU CB C 45 42.389 41.056 1.333 1
1 525 . 16 1 1 A 45 45 LEU N N 45 123.153 121.202 1.951 1
1 526 . 16 1 1 A 46 46 LYS H H 46 8.569 7.537 1.032 1
1 527 . 16 1 1 A 46 46 LYS HA H 46 3.587 4.033 -0.446 1
1 532 . 16 1 1 A 46 46 LYS C C 46 177.354 178.809 -1.455 1
1 533 . 16 1 1 A 46 46 LYS CA C 46 60.799 59.636 1.163 1
1 534 . 16 1 1 A 46 46 LYS CB C 46 30.790 32.075 -1.285 1
1 536 . 16 1 1 A 46 46 LYS N N 46 119.398 121.162 -1.764 1
1 537 . 16 1 1 A 47 47 ASP H H 47 7.694 8.128 -0.434 1
1 538 . 16 1 1 A 47 47 ASP HA H 47 4.325 4.360 -0.035 1
1 541 . 16 1 1 A 47 47 ASP C C 47 179.023 178.586 0.437 1
1 542 . 16 1 1 A 47 47 ASP CA C 47 57.107 56.775 0.332 1
1 543 . 16 1 1 A 47 47 ASP CB C 47 40.292 40.710 -0.418 1
1 544 . 16 1 1 A 47 47 ASP N N 47 116.887 119.286 -2.399 1
1 545 . 16 1 1 A 48 48 GLU H H 48 7.931 8.116 -0.185 1
1 546 . 16 1 1 A 48 48 GLU HA H 48 3.773 4.088 -0.315 1
1 551 . 16 1 1 A 48 48 GLU C C 48 179.125 178.410 0.715 1
1 552 . 16 1 1 A 48 48 GLU CA C 48 59.422 58.681 0.741 1
1 553 . 16 1 1 A 48 48 GLU CB C 48 29.598 29.375 0.223 1
1 555 . 16 1 1 A 48 48 GLU N N 48 121.719 118.986 2.733 1
1 556 . 16 1 1 A 49 49 ILE H H 49 8.553 8.612 -0.059 1
1 557 . 16 1 1 A 49 49 ILE HA H 49 3.424 3.328 0.096 1
1 565 . 16 1 1 A 49 49 ILE C C 49 178.262 176.996 1.266 1
1 566 . 16 1 1 A 49 49 ILE CA C 49 64.372 62.567 1.805 1
1 567 . 16 1 1 A 49 49 ILE CB C 49 38.278 37.256 1.022 1
1 571 . 16 1 1 A 49 49 ILE N N 49 120.672 120.270 0.402 1
1 572 . 16 1 1 A 50 50 LEU H H 50 7.831 7.647 0.184 1
1 573 . 16 1 1 A 50 50 LEU HA H 50 3.795 4.169 -0.374 1
1 580 . 16 1 1 A 50 50 LEU C C 50 178.247 179.004 -0.757 1
1 581 . 16 1 1 A 50 50 LEU CA C 50 57.039 57.359 -0.320 1
1 582 . 16 1 1 A 50 50 LEU CB C 50 41.815 41.887 -0.072 1
1 585 . 16 1 1 A 50 50 LEU N N 50 117.810 122.132 -4.322 1
1 586 . 16 1 1 A 51 51 THR H H 51 7.560 8.073 -0.513 1
1 587 . 16 1 1 A 51 51 THR HA H 51 4.066 4.101 -0.035 1
1 592 . 16 1 1 A 51 51 THR C C 51 175.276 175.646 -0.370 1
1 593 . 16 1 1 A 51 51 THR CA C 51 63.281 65.379 -2.098 1
1 594 . 16 1 1 A 51 51 THR CB C 51 69.695 68.743 0.952 1
1 596 . 16 1 1 A 51 51 THR N N 51 110.196 114.785 -4.589 1
1 597 . 16 1 1 A 52 52 PHE H H 52 7.744 7.825 -0.081 1
1 598 . 16 1 1 A 52 52 PHE HA H 52 4.484 4.492 -0.008 1
1 605 . 16 1 1 A 52 52 PHE C C 52 176.549 174.805 1.744 1
1 606 . 16 1 1 A 52 52 PHE CA C 52 57.742 57.341 0.401 1
1 607 . 16 1 1 A 52 52 PHE CB C 52 37.819 38.755 -0.936 1
1 612 . 16 1 1 A 52 52 PHE N N 52 120.944 117.824 3.120 1
1 613 . 16 1 1 A 53 53 THR H H 53 8.028 7.864 0.164 1
1 614 . 16 1 1 A 53 53 THR HA H 53 4.085 4.427 -0.342 1
1 619 . 16 1 1 A 53 53 THR C C 53 174.471 175.266 -0.795 1
1 620 . 16 1 1 A 53 53 THR CA C 53 62.330 63.276 -0.946 1
1 621 . 16 1 1 A 53 53 THR CB C 53 69.725 70.827 -1.102 1
1 623 . 16 1 1 A 53 53 THR N N 53 113.551 111.346 2.205 1
1 624 . 16 1 1 A 54 54 VAL H H 54 7.827 7.955 -0.128 1
1 625 . 16 1 1 A 54 54 VAL HA H 54 4.047 3.669 0.378 1
1 630 . 16 1 1 A 54 54 VAL C C 54 176.067 176.806 -0.739 1
1 631 . 16 1 1 A 54 54 VAL CA C 54 62.299 66.223 -3.924 1
1 632 . 16 1 1 A 54 54 VAL CB C 54 32.633 31.714 0.919 1
1 634 . 16 1 1 A 54 54 VAL N N 54 122.128 119.730 2.398 1
1 635 . 16 1 1 A 55 55 THR H H 55 8.233 7.948 0.285 1
1 636 . 16 1 1 A 55 55 THR HA H 55 4.212 4.267 -0.055 1
1 640 . 16 1 1 A 55 55 THR C C 55 173.647 175.281 -1.634 1
1 641 . 16 1 1 A 55 55 THR CA C 55 61.620 64.164 -2.544 1
1 642 . 16 1 1 A 55 55 THR CB C 55 69.862 68.483 1.379 1
1 644 . 16 1 1 A 55 55 THR N N 55 118.471 114.566 3.905 1
1 3 . 17 1 1 A 2 2 THR H H 2 7.970 8.435 -0.465 1
1 4 . 17 1 1 A 2 2 THR HA H 2 4.183 4.535 -0.352 1
1 9 . 17 1 1 A 2 2 THR C C 2 173.875 175.486 -1.611 1
1 10 . 17 1 1 A 2 2 THR CA C 2 61.768 62.559 -0.791 1
1 11 . 17 1 1 A 2 2 THR CB C 2 69.631 70.312 -0.681 1
1 13 . 17 1 1 A 2 2 THR N N 2 128.423 113.943 14.480 1
1 14 . 17 1 1 A 3 3 TYR H H 3 8.247 8.246 0.001 1
1 15 . 17 1 1 A 3 3 TYR HA H 3 4.271 4.152 0.119 1
1 22 . 17 1 1 A 3 3 TYR C C 3 175.714 174.932 0.782 1
1 23 . 17 1 1 A 3 3 TYR CA C 3 58.145 59.151 -1.006 1
1 24 . 17 1 1 A 3 3 TYR CB C 3 38.753 37.246 1.507 1
1 27 . 17 1 1 A 3 3 TYR N N 3 123.871 121.692 2.179 1
1 28 . 17 1 1 A 4 4 LYS H H 4 8.009 7.798 0.211 1
1 29 . 17 1 1 A 4 4 LYS HA H 4 3.963 4.513 -0.550 1
1 36 . 17 1 1 A 4 4 LYS C C 4 175.979 175.618 0.361 1
1 37 . 17 1 1 A 4 4 LYS CA C 4 56.821 55.938 0.883 1
1 38 . 17 1 1 A 4 4 LYS CB C 4 32.981 32.809 0.172 1
1 40 . 17 1 1 A 4 4 LYS N N 4 122.309 119.863 2.446 1
1 41 . 17 1 1 A 5 5 LEU H H 5 7.918 8.784 -0.866 1
1 42 . 17 1 1 A 5 5 LEU HA H 5 4.151 4.516 -0.365 1
1 49 . 17 1 1 A 5 5 LEU C C 5 176.945 176.086 0.859 1
1 50 . 17 1 1 A 5 5 LEU CA C 5 55.320 55.957 -0.637 1
1 51 . 17 1 1 A 5 5 LEU CB C 5 42.054 43.952 -1.898 1
1 55 . 17 1 1 A 5 5 LEU N N 5 121.830 126.568 -4.738 1
1 56 . 17 1 1 A 6 6 ILE H H 6 7.974 7.638 0.336 1
1 57 . 17 1 1 A 6 6 ILE HA H 6 3.959 4.398 -0.439 1
1 67 . 17 1 1 A 6 6 ILE C C 6 176.110 175.090 1.020 1
1 68 . 17 1 1 A 6 6 ILE CA C 6 61.287 60.984 0.303 1
1 69 . 17 1 1 A 6 6 ILE CB C 6 38.228 39.351 -1.123 1
1 73 . 17 1 1 A 6 6 ILE N N 6 121.898 118.312 3.586 1
1 74 . 17 1 1 A 7 7 LEU H H 7 8.071 8.377 -0.306 1
1 75 . 17 1 1 A 7 7 LEU HA H 7 4.316 4.555 -0.239 1
1 82 . 17 1 1 A 7 7 LEU C C 7 176.915 177.179 -0.264 1
1 83 . 17 1 1 A 7 7 LEU CA C 7 55.177 55.805 -0.628 1
1 84 . 17 1 1 A 7 7 LEU CB C 7 43.080 44.955 -1.875 1
1 86 . 17 1 1 A 7 7 LEU N N 7 125.296 128.203 -2.907 1
1 87 . 17 1 1 A 8 8 ASN H H 8 8.021 8.405 -0.384 1
1 88 . 17 1 1 A 8 8 ASN HA H 8 4.570 4.883 -0.313 1
1 91 . 17 1 1 A 8 8 ASN C C 8 175.203 176.930 -1.727 1
1 92 . 17 1 1 A 8 8 ASN CA C 8 52.320 54.749 -2.429 1
1 93 . 17 1 1 A 8 8 ASN CB C 8 39.229 39.752 -0.523 1
1 94 . 17 1 1 A 8 8 ASN N N 8 117.805 117.397 0.408 1
1 95 . 17 1 1 A 9 9 LEU H H 9 8.385 8.146 0.239 1
1 96 . 17 1 1 A 9 9 LEU HA H 9 3.718 4.150 -0.432 1
1 106 . 17 1 1 A 9 9 LEU C C 9 177.150 178.483 -1.333 1
1 107 . 17 1 1 A 9 9 LEU CA C 9 58.501 58.087 0.414 1
1 108 . 17 1 1 A 9 9 LEU CB C 9 42.085 41.578 0.507 1
1 111 . 17 1 1 A 9 9 LEU N N 9 122.110 121.260 0.850 1
1 112 . 17 1 1 A 10 10 LYS H H 10 8.027 8.037 -0.010 1
1 113 . 17 1 1 A 10 10 LYS HA H 10 3.824 3.901 -0.077 1
1 118 . 17 1 1 A 10 10 LYS C C 10 178.555 178.344 0.211 1
1 119 . 17 1 1 A 10 10 LYS CA C 10 59.893 59.594 0.299 1
1 120 . 17 1 1 A 10 10 LYS CB C 10 32.143 32.203 -0.060 1
1 123 . 17 1 1 A 10 10 LYS N N 10 118.739 118.915 -0.176 1
1 124 . 17 1 1 A 11 11 GLN H H 11 7.574 7.863 -0.289 1
1 125 . 17 1 1 A 11 11 GLN HA H 11 3.984 4.152 -0.168 1
1 130 . 17 1 1 A 11 11 GLN C C 11 175.218 178.198 -2.980 1
1 131 . 17 1 1 A 11 11 GLN CA C 11 59.252 58.356 0.896 1
1 132 . 17 1 1 A 11 11 GLN CB C 11 29.579 28.390 1.189 1
1 134 . 17 1 1 A 11 11 GLN N N 11 117.396 119.280 -1.884 1
1 135 . 17 1 1 A 12 12 ALA H H 12 8.432 8.643 -0.211 1
1 136 . 17 1 1 A 12 12 ALA HA H 12 4.001 4.087 -0.086 1
1 140 . 17 1 1 A 12 12 ALA C C 12 179.374 180.347 -0.973 1
1 141 . 17 1 1 A 12 12 ALA CA C 12 55.373 55.011 0.362 1
1 142 . 17 1 1 A 12 12 ALA CB C 12 18.214 18.428 -0.214 1
1 143 . 17 1 1 A 12 12 ALA N N 12 122.547 122.442 0.105 1
1 144 . 17 1 1 A 13 13 LYS H H 13 8.276 7.878 0.398 1
1 145 . 17 1 1 A 13 13 LYS HA H 13 3.404 4.146 -0.742 1
1 152 . 17 1 1 A 13 13 LYS C C 13 178.467 178.825 -0.358 1
1 153 . 17 1 1 A 13 13 LYS CA C 13 60.801 58.996 1.805 1
1 154 . 17 1 1 A 13 13 LYS CB C 13 33.111 32.283 0.828 1
1 157 . 17 1 1 A 13 13 LYS N N 13 116.459 117.657 -1.198 1
1 158 . 17 1 1 A 14 14 GLU H H 14 7.840 7.992 -0.152 1
1 159 . 17 1 1 A 14 14 GLU HA H 14 3.755 4.067 -0.312 1
1 164 . 17 1 1 A 14 14 GLU C C 14 177.720 178.422 -0.702 1
1 165 . 17 1 1 A 14 14 GLU CA C 14 59.737 59.544 0.193 1
1 166 . 17 1 1 A 14 14 GLU CB C 14 29.453 29.344 0.109 1
1 168 . 17 1 1 A 14 14 GLU N N 14 116.581 119.936 -3.355 1
1 169 . 17 1 1 A 15 15 GLU H H 15 8.269 8.434 -0.165 1
1 170 . 17 1 1 A 15 15 GLU HA H 15 3.961 4.095 -0.134 1
1 175 . 17 1 1 A 15 15 GLU C C 15 178.438 178.855 -0.417 1
1 176 . 17 1 1 A 15 15 GLU CA C 15 58.383 59.138 -0.755 1
1 177 . 17 1 1 A 15 15 GLU CB C 15 28.994 29.196 -0.202 1
1 179 . 17 1 1 A 15 15 GLU N N 15 115.657 119.719 -4.062 1
1 180 . 17 1 1 A 16 16 ALA H H 16 8.500 7.727 0.773 1
1 181 . 17 1 1 A 16 16 ALA HA H 16 3.939 4.130 -0.191 1
1 185 . 17 1 1 A 16 16 ALA C C 16 179.330 179.916 -0.586 1
1 186 . 17 1 1 A 16 16 ALA CA C 16 55.401 55.084 0.317 1
1 187 . 17 1 1 A 16 16 ALA CB C 16 18.980 18.466 0.514 1
1 188 . 17 1 1 A 16 16 ALA N N 16 122.087 121.920 0.167 1
1 189 . 17 1 1 A 17 17 ILE H H 17 8.598 8.257 0.341 1
1 190 . 17 1 1 A 17 17 ILE HA H 17 3.334 3.627 -0.293 1
1 195 . 17 1 1 A 17 17 ILE C C 17 177.120 177.940 -0.820 1
1 196 . 17 1 1 A 17 17 ILE CA C 17 66.876 65.655 1.221 1
1 197 . 17 1 1 A 17 17 ILE CB C 17 37.817 37.936 -0.119 1
1 200 . 17 1 1 A 17 17 ILE N N 17 117.395 118.814 -1.419 1
1 201 . 17 1 1 A 18 18 LYS H H 18 7.633 7.802 -0.169 1
1 202 . 17 1 1 A 18 18 LYS HA H 18 3.748 3.986 -0.238 1
1 209 . 17 1 1 A 18 18 LYS C C 18 179.199 178.237 0.962 1
1 210 . 17 1 1 A 18 18 LYS CA C 18 60.001 59.076 0.925 1
1 211 . 17 1 1 A 18 18 LYS CB C 18 32.538 32.146 0.392 1
1 213 . 17 1 1 A 18 18 LYS N N 18 119.143 121.291 -2.148 1
1 214 . 17 1 1 A 19 19 GLU H H 19 8.192 8.023 0.169 1
1 215 . 17 1 1 A 19 19 GLU HA H 19 3.942 4.093 -0.151 1
1 220 . 17 1 1 A 19 19 GLU C C 19 179.813 178.631 1.182 1
1 221 . 17 1 1 A 19 19 GLU CA C 19 59.577 59.021 0.556 1
1 222 . 17 1 1 A 19 19 GLU CB C 19 29.756 29.545 0.211 1
1 224 . 17 1 1 A 19 19 GLU N N 19 118.201 119.535 -1.334 1
1 225 . 17 1 1 A 20 20 LEU H H 20 8.128 7.667 0.461 1
1 226 . 17 1 1 A 20 20 LEU HA H 20 3.877 4.185 -0.308 1
1 233 . 17 1 1 A 20 20 LEU C C 20 178.906 178.908 -0.002 1
1 234 . 17 1 1 A 20 20 LEU CA C 20 58.171 57.223 0.948 1
1 235 . 17 1 1 A 20 20 LEU CB C 20 41.496 41.838 -0.342 1
1 238 . 17 1 1 A 20 20 LEU N N 20 119.841 121.460 -1.619 1
1 239 . 17 1 1 A 21 21 VAL H H 21 9.063 8.892 0.171 1
1 240 . 17 1 1 A 21 21 VAL HA H 21 3.608 3.555 0.053 1
1 245 . 17 1 1 A 21 21 VAL C C 21 176.301 177.839 -1.538 1
1 246 . 17 1 1 A 21 21 VAL CA C 21 66.684 67.199 -0.515 1
1 247 . 17 1 1 A 21 21 VAL CB C 21 31.879 31.352 0.527 1
1 249 . 17 1 1 A 21 21 VAL N N 21 122.114 119.206 2.908 1
1 250 . 17 1 1 A 22 22 ASP H H 22 8.427 7.979 0.448 1
1 251 . 17 1 1 A 22 22 ASP HA H 22 4.276 4.591 -0.315 1
1 254 . 17 1 1 A 22 22 ASP C C 22 177.428 178.214 -0.786 1
1 255 . 17 1 1 A 22 22 ASP CA C 22 57.143 56.542 0.601 1
1 256 . 17 1 1 A 22 22 ASP CB C 22 40.015 41.383 -1.368 1
1 257 . 17 1 1 A 22 22 ASP N N 22 122.544 120.430 2.114 1
1 258 . 17 1 1 A 23 23 ALA H H 23 7.451 7.716 -0.265 1
1 259 . 17 1 1 A 23 23 ALA HA H 23 4.284 4.312 -0.028 1
1 263 . 17 1 1 A 23 23 ALA C C 23 177.647 177.773 -0.126 1
1 264 . 17 1 1 A 23 23 ALA CA C 23 52.140 52.252 -0.112 1
1 265 . 17 1 1 A 23 23 ALA CB C 23 19.094 19.616 -0.522 1
1 266 . 17 1 1 A 23 23 ALA N N 23 119.690 118.745 0.945 1
1 267 . 17 1 1 A 24 24 GLY H H 24 8.007 8.456 -0.449 1
1 268 . 17 1 1 A 24 24 GLY HA2 H 24 3.930 3.944 -0.014 1
1 269 . 17 1 1 A 24 24 GLY HA3 H 24 3.786 3.953 -0.167 1
1 270 . 17 1 1 A 24 24 GLY C C 24 174.852 173.610 1.242 1
1 271 . 17 1 1 A 24 24 GLY CA C 24 45.939 46.887 -0.948 1
1 272 . 17 1 1 A 24 24 GLY N N 24 107.876 107.059 0.817 1
1 273 . 17 1 1 A 25 25 ILE H H 25 7.628 8.173 -0.545 1
1 274 . 17 1 1 A 25 25 ILE HA H 25 3.880 4.823 -0.943 1
1 281 . 17 1 1 A 25 25 ILE C C 25 174.954 174.551 0.403 1
1 282 . 17 1 1 A 25 25 ILE CA C 25 58.787 59.543 -0.756 1
1 283 . 17 1 1 A 25 25 ILE CB C 25 36.014 41.320 -5.306 1
1 286 . 17 1 1 A 25 25 ILE N N 25 121.226 123.112 -1.886 1
1 287 . 17 1 1 A 26 26 ALA H H 26 8.454 8.631 -0.177 1
1 288 . 17 1 1 A 26 26 ALA HA H 26 4.164 4.296 -0.132 1
1 292 . 17 1 1 A 26 26 ALA C C 26 178.921 178.286 0.635 1
1 293 . 17 1 1 A 26 26 ALA CA C 26 52.978 52.504 0.474 1
1 294 . 17 1 1 A 26 26 ALA CB C 26 19.648 19.265 0.383 1
1 295 . 17 1 1 A 26 26 ALA N N 26 127.062 126.649 0.413 1
1 296 . 17 1 1 A 27 27 GLU H H 27 8.652 8.672 -0.020 1
1 297 . 17 1 1 A 27 27 GLU HA H 27 3.728 4.120 -0.392 1
1 302 . 17 1 1 A 27 27 GLU C C 27 179.886 178.902 0.984 1
1 303 . 17 1 1 A 27 27 GLU CA C 27 59.830 59.322 0.508 1
1 304 . 17 1 1 A 27 27 GLU CB C 27 29.682 29.305 0.377 1
1 306 . 17 1 1 A 27 27 GLU N N 27 122.104 124.573 -2.469 1
1 307 . 17 1 1 A 28 28 LYS H H 28 8.315 8.109 0.206 1
1 308 . 17 1 1 A 28 28 LYS HA H 28 3.789 4.012 -0.223 1
1 315 . 17 1 1 A 28 28 LYS C C 28 177.179 178.600 -1.421 1
1 316 . 17 1 1 A 28 28 LYS CA C 28 58.673 59.247 -0.574 1
1 317 . 17 1 1 A 28 28 LYS CB C 28 31.279 32.136 -0.857 1
1 320 . 17 1 1 A 28 28 LYS N N 28 119.368 121.423 -2.055 1
1 321 . 17 1 1 A 29 29 TYR H H 29 7.372 8.226 -0.854 1
1 322 . 17 1 1 A 29 29 TYR HA H 29 4.448 4.293 0.155 1
1 329 . 17 1 1 A 29 29 TYR C C 29 177.413 178.454 -1.041 1
1 330 . 17 1 1 A 29 29 TYR CA C 29 59.246 60.929 -1.683 1
1 331 . 17 1 1 A 29 29 TYR CB C 29 38.528 37.703 0.825 1
1 336 . 17 1 1 A 29 29 TYR N N 29 116.907 119.004 -2.097 1
1 337 . 17 1 1 A 30 30 ILE H H 30 7.448 8.604 -1.156 1
1 338 . 17 1 1 A 30 30 ILE HA H 30 3.359 3.785 -0.426 1
1 345 . 17 1 1 A 30 30 ILE C C 30 177.662 178.209 -0.547 1
1 346 . 17 1 1 A 30 30 ILE CA C 30 65.541 64.668 0.873 1
1 347 . 17 1 1 A 30 30 ILE CB C 30 37.362 37.512 -0.150 1
1 350 . 17 1 1 A 30 30 ILE N N 30 120.953 120.838 0.115 1
1 351 . 17 1 1 A 31 31 LYS H H 31 7.835 8.214 -0.379 1
1 352 . 17 1 1 A 31 31 LYS HA H 31 3.831 4.079 -0.248 1
1 357 . 17 1 1 A 31 31 LYS C C 31 178.218 179.160 -0.942 1
1 358 . 17 1 1 A 31 31 LYS CA C 31 58.702 58.983 -0.281 1
1 359 . 17 1 1 A 31 31 LYS CB C 31 32.198 31.864 0.334 1
1 363 . 17 1 1 A 31 31 LYS N N 31 116.536 122.615 -6.079 1
1 364 . 17 1 1 A 32 32 LEU H H 32 7.335 7.722 -0.387 1
1 365 . 17 1 1 A 32 32 LEU HA H 32 3.905 3.921 -0.016 1
1 372 . 17 1 1 A 32 32 LEU C C 32 179.901 179.386 0.515 1
1 373 . 17 1 1 A 32 32 LEU CA C 32 57.366 57.886 -0.520 1
1 374 . 17 1 1 A 32 32 LEU CB C 32 41.550 41.132 0.418 1
1 377 . 17 1 1 A 32 32 LEU N N 32 117.191 118.778 -1.587 1
1 378 . 17 1 1 A 33 33 ILE H H 33 7.409 7.445 -0.036 1
1 379 . 17 1 1 A 33 33 ILE HA H 33 3.522 4.004 -0.482 1
1 389 . 17 1 1 A 33 33 ILE C C 33 177.354 178.199 -0.845 1
1 390 . 17 1 1 A 33 33 ILE CA C 33 62.128 63.455 -1.327 1
1 391 . 17 1 1 A 33 33 ILE CB C 33 35.578 37.950 -2.372 1
1 395 . 17 1 1 A 33 33 ILE N N 33 117.873 114.151 3.722 1
1 396 . 17 1 1 A 34 34 ALA H H 34 7.615 9.086 -1.471 1
1 397 . 17 1 1 A 34 34 ALA HA H 34 3.774 4.044 -0.270 1
1 401 . 17 1 1 A 34 34 ALA C C 34 178.789 179.900 -1.111 1
1 402 . 17 1 1 A 34 34 ALA CA C 34 54.717 54.811 -0.094 1
1 403 . 17 1 1 A 34 34 ALA CB C 34 18.384 18.435 -0.051 1
1 404 . 17 1 1 A 34 34 ALA N N 34 119.178 124.234 -5.056 1
1 405 . 17 1 1 A 35 35 ASN H H 35 7.354 8.029 -0.675 1
1 406 . 17 1 1 A 35 35 ASN HA H 35 4.572 4.669 -0.097 1
1 409 . 17 1 1 A 35 35 ASN C C 35 175.482 175.231 0.251 1
1 410 . 17 1 1 A 35 35 ASN CA C 35 52.835 53.099 -0.264 1
1 411 . 17 1 1 A 35 35 ASN CB C 35 39.178 38.801 0.377 1
1 412 . 17 1 1 A 35 35 ASN N N 35 113.033 117.160 -4.127 1
1 413 . 17 1 1 A 36 36 ALA H H 36 7.439 8.208 -0.769 1
1 414 . 17 1 1 A 36 36 ALA HA H 36 4.078 3.949 0.129 1
1 418 . 17 1 1 A 36 36 ALA C C 36 177.852 177.161 0.691 1
1 419 . 17 1 1 A 36 36 ALA CA C 36 53.179 54.047 -0.868 1
1 420 . 17 1 1 A 36 36 ALA CB C 36 19.460 17.978 1.482 1
1 421 . 17 1 1 A 36 36 ALA N N 36 123.843 121.136 2.707 1
1 422 . 17 1 1 A 37 37 LYS H H 37 8.739 8.779 -0.040 1
1 423 . 17 1 1 A 37 37 LYS HA H 37 4.238 4.315 -0.077 1
1 428 . 17 1 1 A 37 37 LYS C C 37 176.652 175.286 1.366 1
1 429 . 17 1 1 A 37 37 LYS CA C 37 56.659 57.720 -1.061 1
1 430 . 17 1 1 A 37 37 LYS CB C 37 34.979 32.214 2.765 1
1 434 . 17 1 1 A 37 37 LYS N N 37 117.112 118.754 -1.642 1
1 435 . 17 1 1 A 38 38 THR H H 38 7.340 7.465 -0.125 1
1 436 . 17 1 1 A 38 38 THR HA H 38 4.515 4.683 -0.168 1
1 440 . 17 1 1 A 38 38 THR C C 38 173.974 174.501 -0.527 1
1 441 . 17 1 1 A 38 38 THR CA C 38 58.511 59.651 -1.140 1
1 442 . 17 1 1 A 38 38 THR CB C 38 72.797 68.832 3.965 1
1 444 . 17 1 1 A 38 38 THR N N 38 106.407 109.648 -3.241 1
1 445 . 17 1 1 A 39 39 VAL H H 39 8.886 8.244 0.642 1
1 446 . 17 1 1 A 39 39 VAL HA H 39 2.956 3.880 -0.924 1
1 451 . 17 1 1 A 39 39 VAL C C 39 176.754 177.296 -0.542 1
1 452 . 17 1 1 A 39 39 VAL CA C 39 67.409 65.348 2.061 1
1 453 . 17 1 1 A 39 39 VAL CB C 39 30.821 32.000 -1.179 1
1 455 . 17 1 1 A 39 39 VAL N N 39 122.964 123.776 -0.812 1
1 456 . 17 1 1 A 40 40 GLU H H 40 8.839 8.675 0.164 1
1 457 . 17 1 1 A 40 40 GLU HA H 40 3.865 4.446 -0.581 1
1 462 . 17 1 1 A 40 40 GLU C C 40 179.345 179.734 -0.389 1
1 463 . 17 1 1 A 40 40 GLU CA C 40 60.003 59.421 0.582 1
1 464 . 17 1 1 A 40 40 GLU CB C 40 28.676 29.191 -0.515 1
1 466 . 17 1 1 A 40 40 GLU N N 40 117.880 120.869 -2.989 1
1 467 . 17 1 1 A 41 41 GLY H H 41 8.095 8.079 0.016 1
1 468 . 17 1 1 A 41 41 GLY HA2 H 41 3.931 3.262 0.669 1
1 469 . 17 1 1 A 41 41 GLY HA3 H 41 3.730 3.443 0.287 1
1 470 . 17 1 1 A 41 41 GLY C C 41 176.271 175.570 0.701 1
1 471 . 17 1 1 A 41 41 GLY CA C 41 46.388 47.166 -0.778 1
1 472 . 17 1 1 A 41 41 GLY N N 41 108.686 108.994 -0.308 1
1 473 . 17 1 1 A 42 42 VAL H H 42 7.772 9.053 -1.281 1
1 474 . 17 1 1 A 42 42 VAL HA H 42 3.087 3.708 -0.621 1
1 479 . 17 1 1 A 42 42 VAL C C 42 177.003 178.236 -1.233 1
1 480 . 17 1 1 A 42 42 VAL CA C 42 67.068 65.755 1.313 1
1 481 . 17 1 1 A 42 42 VAL CB C 42 30.987 31.559 -0.572 1
1 483 . 17 1 1 A 42 42 VAL N N 42 123.069 121.703 1.366 1
1 484 . 17 1 1 A 43 43 TRP H H 43 7.518 7.858 -0.340 1
1 485 . 17 1 1 A 43 43 TRP HA H 43 4.469 4.555 -0.086 1
1 493 . 17 1 1 A 43 43 TRP C C 43 179.023 178.936 0.087 1
1 494 . 17 1 1 A 43 43 TRP CA C 43 59.134 58.906 0.228 1
1 495 . 17 1 1 A 43 43 TRP CB C 43 29.437 28.333 1.104 1
1 500 . 17 1 1 A 43 43 TRP N N 43 118.322 119.818 -1.496 1
1 502 . 17 1 1 A 44 44 THR H H 44 8.408 7.048 1.360 1
1 503 . 17 1 1 A 44 44 THR HA H 44 3.971 3.556 0.415 1
1 508 . 17 1 1 A 44 44 THR C C 44 177.047 176.787 0.260 1
1 509 . 17 1 1 A 44 44 THR CA C 44 66.396 66.011 0.385 1
1 510 . 17 1 1 A 44 44 THR CB C 44 69.069 67.966 1.103 1
1 512 . 17 1 1 A 44 44 THR N N 44 114.912 115.809 -0.897 1
1 513 . 17 1 1 A 45 45 LEU H H 45 7.862 9.551 -1.689 1
1 514 . 17 1 1 A 45 45 LEU HA H 45 3.584 3.909 -0.325 1
1 521 . 17 1 1 A 45 45 LEU C C 45 178.189 179.448 -1.259 1
1 522 . 17 1 1 A 45 45 LEU CA C 45 57.671 57.657 0.014 1
1 523 . 17 1 1 A 45 45 LEU CB C 45 42.389 41.002 1.387 1
1 525 . 17 1 1 A 45 45 LEU N N 45 123.153 121.855 1.298 1
1 526 . 17 1 1 A 46 46 LYS H H 46 8.569 7.650 0.919 1
1 527 . 17 1 1 A 46 46 LYS HA H 46 3.587 4.102 -0.515 1
1 532 . 17 1 1 A 46 46 LYS C C 46 177.354 178.949 -1.595 1
1 533 . 17 1 1 A 46 46 LYS CA C 46 60.799 59.679 1.120 1
1 534 . 17 1 1 A 46 46 LYS CB C 46 30.790 32.222 -1.432 1
1 536 . 17 1 1 A 46 46 LYS N N 46 119.398 121.162 -1.764 1
1 537 . 17 1 1 A 47 47 ASP H H 47 7.694 8.252 -0.558 1
1 538 . 17 1 1 A 47 47 ASP HA H 47 4.325 4.463 -0.138 1
1 541 . 17 1 1 A 47 47 ASP C C 47 179.023 178.843 0.180 1
1 542 . 17 1 1 A 47 47 ASP CA C 47 57.107 56.810 0.297 1
1 543 . 17 1 1 A 47 47 ASP CB C 47 40.292 40.731 -0.439 1
1 544 . 17 1 1 A 47 47 ASP N N 47 116.887 119.628 -2.741 1
1 545 . 17 1 1 A 48 48 GLU H H 48 7.931 7.662 0.269 1
1 546 . 17 1 1 A 48 48 GLU HA H 48 3.773 4.089 -0.316 1
1 551 . 17 1 1 A 48 48 GLU C C 48 179.125 178.521 0.604 1
1 552 . 17 1 1 A 48 48 GLU CA C 48 59.422 58.618 0.804 1
1 553 . 17 1 1 A 48 48 GLU CB C 48 29.598 29.628 -0.030 1
1 555 . 17 1 1 A 48 48 GLU N N 48 121.719 118.841 2.878 1
1 556 . 17 1 1 A 49 49 ILE H H 49 8.553 8.693 -0.140 1
1 557 . 17 1 1 A 49 49 ILE HA H 49 3.424 3.291 0.133 1
1 565 . 17 1 1 A 49 49 ILE C C 49 178.262 177.016 1.246 1
1 566 . 17 1 1 A 49 49 ILE CA C 49 64.372 62.584 1.788 1
1 567 . 17 1 1 A 49 49 ILE CB C 49 38.278 37.102 1.176 1
1 571 . 17 1 1 A 49 49 ILE N N 49 120.672 120.154 0.518 1
1 572 . 17 1 1 A 50 50 LEU H H 50 7.831 7.603 0.228 1
1 573 . 17 1 1 A 50 50 LEU HA H 50 3.795 4.174 -0.379 1
1 580 . 17 1 1 A 50 50 LEU C C 50 178.247 179.183 -0.936 1
1 581 . 17 1 1 A 50 50 LEU CA C 50 57.039 57.498 -0.459 1
1 582 . 17 1 1 A 50 50 LEU CB C 50 41.815 42.144 -0.329 1
1 585 . 17 1 1 A 50 50 LEU N N 50 117.810 122.114 -4.304 1
1 586 . 17 1 1 A 51 51 THR H H 51 7.560 7.894 -0.334 1
1 587 . 17 1 1 A 51 51 THR HA H 51 4.066 4.090 -0.024 1
1 592 . 17 1 1 A 51 51 THR C C 51 175.276 175.431 -0.155 1
1 593 . 17 1 1 A 51 51 THR CA C 51 63.281 65.311 -2.030 1
1 594 . 17 1 1 A 51 51 THR CB C 51 69.695 68.477 1.218 1
1 596 . 17 1 1 A 51 51 THR N N 51 110.196 115.518 -5.322 1
1 597 . 17 1 1 A 52 52 PHE H H 52 7.744 7.816 -0.072 1
1 598 . 17 1 1 A 52 52 PHE HA H 52 4.484 4.536 -0.052 1
1 605 . 17 1 1 A 52 52 PHE C C 52 176.549 175.370 1.179 1
1 606 . 17 1 1 A 52 52 PHE CA C 52 57.742 57.316 0.426 1
1 607 . 17 1 1 A 52 52 PHE CB C 52 37.819 39.003 -1.184 1
1 612 . 17 1 1 A 52 52 PHE N N 52 120.944 118.658 2.286 1
1 613 . 17 1 1 A 53 53 THR H H 53 8.028 7.724 0.304 1
1 614 . 17 1 1 A 53 53 THR HA H 53 4.085 4.343 -0.258 1
1 619 . 17 1 1 A 53 53 THR C C 53 174.471 174.846 -0.375 1
1 620 . 17 1 1 A 53 53 THR CA C 53 62.330 63.230 -0.900 1
1 621 . 17 1 1 A 53 53 THR CB C 53 69.725 71.053 -1.328 1
1 623 . 17 1 1 A 53 53 THR N N 53 113.551 111.940 1.611 1
1 624 . 17 1 1 A 54 54 VAL H H 54 7.827 7.738 0.089 1
1 625 . 17 1 1 A 54 54 VAL HA H 54 4.047 4.202 -0.155 1
1 630 . 17 1 1 A 54 54 VAL C C 54 176.067 174.421 1.646 1
1 631 . 17 1 1 A 54 54 VAL CA C 54 62.299 64.097 -1.798 1
1 632 . 17 1 1 A 54 54 VAL CB C 54 32.633 31.129 1.504 1
1 634 . 17 1 1 A 54 54 VAL N N 54 122.128 120.020 2.108 1
1 635 . 17 1 1 A 55 55 THR H H 55 8.233 9.058 -0.825 1
1 636 . 17 1 1 A 55 55 THR HA H 55 4.212 4.838 -0.626 1
1 640 . 17 1 1 A 55 55 THR C C 55 173.647 174.078 -0.431 1
1 641 . 17 1 1 A 55 55 THR CA C 55 61.620 60.290 1.330 1
1 642 . 17 1 1 A 55 55 THR CB C 55 69.862 69.121 0.741 1
1 644 . 17 1 1 A 55 55 THR N N 55 118.471 120.666 -2.195 1
1 3 . 18 1 1 A 2 2 THR H H 2 7.970 7.548 0.422 1
1 4 . 18 1 1 A 2 2 THR HA H 2 4.183 4.520 -0.337 1
1 9 . 18 1 1 A 2 2 THR C C 2 173.875 174.473 -0.598 1
1 10 . 18 1 1 A 2 2 THR CA C 2 61.768 60.844 0.924 1
1 11 . 18 1 1 A 2 2 THR CB C 2 69.631 68.709 0.922 1
1 13 . 18 1 1 A 2 2 THR N N 2 128.423 113.755 14.668 1
1 14 . 18 1 1 A 3 3 TYR H H 3 8.247 8.941 -0.694 1
1 15 . 18 1 1 A 3 3 TYR HA H 3 4.271 4.105 0.166 1
1 22 . 18 1 1 A 3 3 TYR C C 3 175.714 174.991 0.723 1
1 23 . 18 1 1 A 3 3 TYR CA C 3 58.145 58.813 -0.668 1
1 24 . 18 1 1 A 3 3 TYR CB C 3 38.753 36.974 1.779 1
1 27 . 18 1 1 A 3 3 TYR N N 3 123.871 122.054 1.817 1
1 28 . 18 1 1 A 4 4 LYS H H 4 8.009 7.758 0.251 1
1 29 . 18 1 1 A 4 4 LYS HA H 4 3.963 4.673 -0.710 1
1 36 . 18 1 1 A 4 4 LYS C C 4 175.979 174.789 1.190 1
1 37 . 18 1 1 A 4 4 LYS CA C 4 56.821 55.474 1.347 1
1 38 . 18 1 1 A 4 4 LYS CB C 4 32.981 32.802 0.179 1
1 40 . 18 1 1 A 4 4 LYS N N 4 122.309 118.981 3.328 1
1 41 . 18 1 1 A 5 5 LEU H H 5 7.918 8.729 -0.811 1
1 42 . 18 1 1 A 5 5 LEU HA H 5 4.151 4.640 -0.489 1
1 49 . 18 1 1 A 5 5 LEU C C 5 176.945 175.011 1.934 1
1 50 . 18 1 1 A 5 5 LEU CA C 5 55.320 53.696 1.624 1
1 51 . 18 1 1 A 5 5 LEU CB C 5 42.054 42.891 -0.837 1
1 55 . 18 1 1 A 5 5 LEU N N 5 121.830 125.161 -3.331 1
1 56 . 18 1 1 A 6 6 ILE H H 6 7.974 8.091 -0.117 1
1 57 . 18 1 1 A 6 6 ILE HA H 6 3.959 4.546 -0.587 1
1 67 . 18 1 1 A 6 6 ILE C C 6 176.110 173.676 2.434 1
1 68 . 18 1 1 A 6 6 ILE CA C 6 61.287 60.577 0.710 1
1 69 . 18 1 1 A 6 6 ILE CB C 6 38.228 41.287 -3.059 1
1 73 . 18 1 1 A 6 6 ILE N N 6 121.898 123.504 -1.606 1
1 74 . 18 1 1 A 7 7 LEU H H 7 8.071 8.537 -0.466 1
1 75 . 18 1 1 A 7 7 LEU HA H 7 4.316 4.857 -0.541 1
1 82 . 18 1 1 A 7 7 LEU C C 7 176.915 175.411 1.504 1
1 83 . 18 1 1 A 7 7 LEU CA C 7 55.177 54.076 1.101 1
1 84 . 18 1 1 A 7 7 LEU CB C 7 43.080 45.876 -2.796 1
1 86 . 18 1 1 A 7 7 LEU N N 7 125.296 127.362 -2.066 1
1 87 . 18 1 1 A 8 8 ASN H H 8 8.021 8.939 -0.918 1
1 88 . 18 1 1 A 8 8 ASN HA H 8 4.570 4.933 -0.363 1
1 91 . 18 1 1 A 8 8 ASN C C 8 175.203 175.490 -0.287 1
1 92 . 18 1 1 A 8 8 ASN CA C 8 52.320 54.110 -1.790 1
1 93 . 18 1 1 A 8 8 ASN CB C 8 39.229 41.090 -1.861 1
1 94 . 18 1 1 A 8 8 ASN N N 8 117.805 122.579 -4.774 1
1 95 . 18 1 1 A 9 9 LEU H H 9 8.385 8.258 0.127 1
1 96 . 18 1 1 A 9 9 LEU HA H 9 3.718 4.153 -0.435 1
1 106 . 18 1 1 A 9 9 LEU C C 9 177.150 178.380 -1.230 1
1 107 . 18 1 1 A 9 9 LEU CA C 9 58.501 58.508 -0.007 1
1 108 . 18 1 1 A 9 9 LEU CB C 9 42.085 41.462 0.623 1
1 111 . 18 1 1 A 9 9 LEU N N 9 122.110 121.478 0.632 1
1 112 . 18 1 1 A 10 10 LYS H H 10 8.027 8.116 -0.089 1
1 113 . 18 1 1 A 10 10 LYS HA H 10 3.824 3.878 -0.054 1
1 118 . 18 1 1 A 10 10 LYS C C 10 178.555 178.502 0.053 1
1 119 . 18 1 1 A 10 10 LYS CA C 10 59.893 60.045 -0.152 1
1 120 . 18 1 1 A 10 10 LYS CB C 10 32.143 32.169 -0.026 1
1 123 . 18 1 1 A 10 10 LYS N N 10 118.739 118.949 -0.210 1
1 124 . 18 1 1 A 11 11 GLN H H 11 7.574 7.930 -0.356 1
1 125 . 18 1 1 A 11 11 GLN HA H 11 3.984 4.083 -0.099 1
1 130 . 18 1 1 A 11 11 GLN C C 11 175.218 178.157 -2.939 1
1 131 . 18 1 1 A 11 11 GLN CA C 11 59.252 58.866 0.386 1
1 132 . 18 1 1 A 11 11 GLN CB C 11 29.579 28.589 0.990 1
1 134 . 18 1 1 A 11 11 GLN N N 11 117.396 119.362 -1.966 1
1 135 . 18 1 1 A 12 12 ALA H H 12 8.432 9.313 -0.881 1
1 136 . 18 1 1 A 12 12 ALA HA H 12 4.001 4.228 -0.227 1
1 140 . 18 1 1 A 12 12 ALA C C 12 179.374 180.075 -0.701 1
1 141 . 18 1 1 A 12 12 ALA CA C 12 55.373 55.002 0.371 1
1 142 . 18 1 1 A 12 12 ALA CB C 12 18.214 18.735 -0.521 1
1 143 . 18 1 1 A 12 12 ALA N N 12 122.547 122.611 -0.064 1
1 144 . 18 1 1 A 13 13 LYS H H 13 8.276 7.844 0.432 1
1 145 . 18 1 1 A 13 13 LYS HA H 13 3.404 4.130 -0.726 1
1 152 . 18 1 1 A 13 13 LYS C C 13 178.467 179.188 -0.721 1
1 153 . 18 1 1 A 13 13 LYS CA C 13 60.801 58.990 1.811 1
1 154 . 18 1 1 A 13 13 LYS CB C 13 33.111 32.286 0.825 1
1 157 . 18 1 1 A 13 13 LYS N N 13 116.459 117.539 -1.080 1
1 158 . 18 1 1 A 14 14 GLU H H 14 7.840 8.108 -0.268 1
1 159 . 18 1 1 A 14 14 GLU HA H 14 3.755 4.028 -0.273 1
1 164 . 18 1 1 A 14 14 GLU C C 14 177.720 179.183 -1.463 1
1 165 . 18 1 1 A 14 14 GLU CA C 14 59.737 59.533 0.204 1
1 166 . 18 1 1 A 14 14 GLU CB C 14 29.453 29.167 0.286 1
1 168 . 18 1 1 A 14 14 GLU N N 14 116.581 119.805 -3.224 1
1 169 . 18 1 1 A 15 15 GLU H H 15 8.269 8.786 -0.517 1
1 170 . 18 1 1 A 15 15 GLU HA H 15 3.961 4.061 -0.100 1
1 175 . 18 1 1 A 15 15 GLU C C 15 178.438 178.800 -0.362 1
1 176 . 18 1 1 A 15 15 GLU CA C 15 58.383 59.111 -0.728 1
1 177 . 18 1 1 A 15 15 GLU CB C 15 28.994 29.101 -0.107 1
1 179 . 18 1 1 A 15 15 GLU N N 15 115.657 120.253 -4.596 1
1 180 . 18 1 1 A 16 16 ALA H H 16 8.500 8.032 0.468 1
1 181 . 18 1 1 A 16 16 ALA HA H 16 3.939 4.011 -0.072 1
1 185 . 18 1 1 A 16 16 ALA C C 16 179.330 179.927 -0.597 1
1 186 . 18 1 1 A 16 16 ALA CA C 16 55.401 55.004 0.397 1
1 187 . 18 1 1 A 16 16 ALA CB C 16 18.980 18.441 0.539 1
1 188 . 18 1 1 A 16 16 ALA N N 16 122.087 121.791 0.296 1
1 189 . 18 1 1 A 17 17 ILE H H 17 8.598 8.249 0.349 1
1 190 . 18 1 1 A 17 17 ILE HA H 17 3.334 3.615 -0.281 1
1 195 . 18 1 1 A 17 17 ILE C C 17 177.120 178.137 -1.017 1
1 196 . 18 1 1 A 17 17 ILE CA C 17 66.876 65.569 1.307 1
1 197 . 18 1 1 A 17 17 ILE CB C 17 37.817 37.755 0.062 1
1 200 . 18 1 1 A 17 17 ILE N N 17 117.395 118.810 -1.415 1
1 201 . 18 1 1 A 18 18 LYS H H 18 7.633 7.805 -0.172 1
1 202 . 18 1 1 A 18 18 LYS HA H 18 3.748 3.972 -0.224 1
1 209 . 18 1 1 A 18 18 LYS C C 18 179.199 178.352 0.847 1
1 210 . 18 1 1 A 18 18 LYS CA C 18 60.001 58.868 1.133 1
1 211 . 18 1 1 A 18 18 LYS CB C 18 32.538 32.023 0.515 1
1 213 . 18 1 1 A 18 18 LYS N N 18 119.143 120.906 -1.763 1
1 214 . 18 1 1 A 19 19 GLU H H 19 8.192 7.846 0.346 1
1 215 . 18 1 1 A 19 19 GLU HA H 19 3.942 4.039 -0.097 1
1 220 . 18 1 1 A 19 19 GLU C C 19 179.813 178.732 1.081 1
1 221 . 18 1 1 A 19 19 GLU CA C 19 59.577 58.990 0.587 1
1 222 . 18 1 1 A 19 19 GLU CB C 19 29.756 29.497 0.259 1
1 224 . 18 1 1 A 19 19 GLU N N 19 118.201 119.672 -1.471 1
1 225 . 18 1 1 A 20 20 LEU H H 20 8.128 8.131 -0.003 1
1 226 . 18 1 1 A 20 20 LEU HA H 20 3.877 4.109 -0.232 1
1 233 . 18 1 1 A 20 20 LEU C C 20 178.906 178.919 -0.013 1
1 234 . 18 1 1 A 20 20 LEU CA C 20 58.171 57.978 0.193 1
1 235 . 18 1 1 A 20 20 LEU CB C 20 41.496 41.732 -0.236 1
1 238 . 18 1 1 A 20 20 LEU N N 20 119.841 121.665 -1.824 1
1 239 . 18 1 1 A 21 21 VAL H H 21 9.063 8.525 0.538 1
1 240 . 18 1 1 A 21 21 VAL HA H 21 3.608 3.568 0.040 1
1 245 . 18 1 1 A 21 21 VAL C C 21 176.301 177.928 -1.627 1
1 246 . 18 1 1 A 21 21 VAL CA C 21 66.684 67.103 -0.419 1
1 247 . 18 1 1 A 21 21 VAL CB C 21 31.879 31.335 0.544 1
1 249 . 18 1 1 A 21 21 VAL N N 21 122.114 119.515 2.599 1
1 250 . 18 1 1 A 22 22 ASP H H 22 8.427 7.819 0.608 1
1 251 . 18 1 1 A 22 22 ASP HA H 22 4.276 4.450 -0.174 1
1 254 . 18 1 1 A 22 22 ASP C C 22 177.428 178.191 -0.763 1
1 255 . 18 1 1 A 22 22 ASP CA C 22 57.143 56.588 0.555 1
1 256 . 18 1 1 A 22 22 ASP CB C 22 40.015 41.202 -1.187 1
1 257 . 18 1 1 A 22 22 ASP N N 22 122.544 120.641 1.903 1
1 258 . 18 1 1 A 23 23 ALA H H 23 7.451 7.863 -0.412 1
1 259 . 18 1 1 A 23 23 ALA HA H 23 4.284 4.256 0.028 1
1 263 . 18 1 1 A 23 23 ALA C C 23 177.647 177.801 -0.154 1
1 264 . 18 1 1 A 23 23 ALA CA C 23 52.140 52.192 -0.052 1
1 265 . 18 1 1 A 23 23 ALA CB C 23 19.094 19.619 -0.525 1
1 266 . 18 1 1 A 23 23 ALA N N 23 119.690 118.637 1.053 1
1 267 . 18 1 1 A 24 24 GLY H H 24 8.007 8.450 -0.443 1
1 268 . 18 1 1 A 24 24 GLY HA2 H 24 3.930 3.869 0.061 1
1 269 . 18 1 1 A 24 24 GLY HA3 H 24 3.786 3.887 -0.101 1
1 270 . 18 1 1 A 24 24 GLY C C 24 174.852 173.519 1.333 1
1 271 . 18 1 1 A 24 24 GLY CA C 24 45.939 46.959 -1.020 1
1 272 . 18 1 1 A 24 24 GLY N N 24 107.876 107.249 0.627 1
1 273 . 18 1 1 A 25 25 ILE H H 25 7.628 7.757 -0.129 1
1 274 . 18 1 1 A 25 25 ILE HA H 25 3.880 4.751 -0.871 1
1 281 . 18 1 1 A 25 25 ILE C C 25 174.954 174.641 0.313 1
1 282 . 18 1 1 A 25 25 ILE CA C 25 58.787 59.710 -0.923 1
1 283 . 18 1 1 A 25 25 ILE CB C 25 36.014 39.763 -3.749 1
1 286 . 18 1 1 A 25 25 ILE N N 25 121.226 118.186 3.040 1
1 287 . 18 1 1 A 26 26 ALA H H 26 8.454 8.677 -0.223 1
1 288 . 18 1 1 A 26 26 ALA HA H 26 4.164 4.185 -0.021 1
1 292 . 18 1 1 A 26 26 ALA C C 26 178.921 178.921 0.000 1
1 293 . 18 1 1 A 26 26 ALA CA C 26 52.978 52.895 0.083 1
1 294 . 18 1 1 A 26 26 ALA CB C 26 19.648 19.308 0.340 1
1 295 . 18 1 1 A 26 26 ALA N N 26 127.062 124.433 2.629 1
1 296 . 18 1 1 A 27 27 GLU H H 27 8.652 8.803 -0.151 1
1 297 . 18 1 1 A 27 27 GLU HA H 27 3.728 3.948 -0.220 1
1 302 . 18 1 1 A 27 27 GLU C C 27 179.886 178.173 1.713 1
1 303 . 18 1 1 A 27 27 GLU CA C 27 59.830 59.800 0.030 1
1 304 . 18 1 1 A 27 27 GLU CB C 27 29.682 29.307 0.375 1
1 306 . 18 1 1 A 27 27 GLU N N 27 122.104 125.111 -3.007 1
1 307 . 18 1 1 A 28 28 LYS H H 28 8.315 8.131 0.184 1
1 308 . 18 1 1 A 28 28 LYS HA H 28 3.789 4.024 -0.235 1
1 315 . 18 1 1 A 28 28 LYS C C 28 177.179 178.696 -1.517 1
1 316 . 18 1 1 A 28 28 LYS CA C 28 58.673 59.380 -0.707 1
1 317 . 18 1 1 A 28 28 LYS CB C 28 31.279 32.206 -0.927 1
1 320 . 18 1 1 A 28 28 LYS N N 28 119.368 118.739 0.629 1
1 321 . 18 1 1 A 29 29 TYR H H 29 7.372 7.969 -0.597 1
1 322 . 18 1 1 A 29 29 TYR HA H 29 4.448 4.334 0.114 1
1 329 . 18 1 1 A 29 29 TYR C C 29 177.413 178.382 -0.969 1
1 330 . 18 1 1 A 29 29 TYR CA C 29 59.246 61.114 -1.868 1
1 331 . 18 1 1 A 29 29 TYR CB C 29 38.528 37.619 0.909 1
1 336 . 18 1 1 A 29 29 TYR N N 29 116.907 118.880 -1.973 1
1 337 . 18 1 1 A 30 30 ILE H H 30 7.448 8.547 -1.099 1
1 338 . 18 1 1 A 30 30 ILE HA H 30 3.359 3.867 -0.508 1
1 345 . 18 1 1 A 30 30 ILE C C 30 177.662 178.027 -0.365 1
1 346 . 18 1 1 A 30 30 ILE CA C 30 65.541 63.600 1.941 1
1 347 . 18 1 1 A 30 30 ILE CB C 30 37.362 37.673 -0.311 1
1 350 . 18 1 1 A 30 30 ILE N N 30 120.953 120.859 0.094 1
1 351 . 18 1 1 A 31 31 LYS H H 31 7.835 8.114 -0.279 1
1 352 . 18 1 1 A 31 31 LYS HA H 31 3.831 4.087 -0.256 1
1 357 . 18 1 1 A 31 31 LYS C C 31 178.218 179.242 -1.024 1
1 358 . 18 1 1 A 31 31 LYS CA C 31 58.702 59.029 -0.327 1
1 359 . 18 1 1 A 31 31 LYS CB C 31 32.198 32.004 0.194 1
1 363 . 18 1 1 A 31 31 LYS N N 31 116.536 122.231 -5.695 1
1 364 . 18 1 1 A 32 32 LEU H H 32 7.335 7.799 -0.464 1
1 365 . 18 1 1 A 32 32 LEU HA H 32 3.905 3.951 -0.046 1
1 372 . 18 1 1 A 32 32 LEU C C 32 179.901 179.497 0.404 1
1 373 . 18 1 1 A 32 32 LEU CA C 32 57.366 57.928 -0.562 1
1 374 . 18 1 1 A 32 32 LEU CB C 32 41.550 41.435 0.115 1
1 377 . 18 1 1 A 32 32 LEU N N 32 117.191 118.832 -1.641 1
1 378 . 18 1 1 A 33 33 ILE H H 33 7.409 7.453 -0.044 1
1 379 . 18 1 1 A 33 33 ILE HA H 33 3.522 4.017 -0.495 1
1 389 . 18 1 1 A 33 33 ILE C C 33 177.354 178.273 -0.919 1
1 390 . 18 1 1 A 33 33 ILE CA C 33 62.128 63.481 -1.353 1
1 391 . 18 1 1 A 33 33 ILE CB C 33 35.578 37.930 -2.352 1
1 395 . 18 1 1 A 33 33 ILE N N 33 117.873 113.869 4.004 1
1 396 . 18 1 1 A 34 34 ALA H H 34 7.615 9.076 -1.461 1
1 397 . 18 1 1 A 34 34 ALA HA H 34 3.774 4.012 -0.238 1
1 401 . 18 1 1 A 34 34 ALA C C 34 178.789 179.848 -1.059 1
1 402 . 18 1 1 A 34 34 ALA CA C 34 54.717 54.857 -0.140 1
1 403 . 18 1 1 A 34 34 ALA CB C 34 18.384 18.539 -0.155 1
1 404 . 18 1 1 A 34 34 ALA N N 34 119.178 124.437 -5.259 1
1 405 . 18 1 1 A 35 35 ASN H H 35 7.354 8.032 -0.678 1
1 406 . 18 1 1 A 35 35 ASN HA H 35 4.572 4.700 -0.128 1
1 409 . 18 1 1 A 35 35 ASN C C 35 175.482 175.142 0.340 1
1 410 . 18 1 1 A 35 35 ASN CA C 35 52.835 53.833 -0.998 1
1 411 . 18 1 1 A 35 35 ASN CB C 35 39.178 39.147 0.031 1
1 412 . 18 1 1 A 35 35 ASN N N 35 113.033 116.887 -3.854 1
1 413 . 18 1 1 A 36 36 ALA H H 36 7.439 8.158 -0.719 1
1 414 . 18 1 1 A 36 36 ALA HA H 36 4.078 3.979 0.099 1
1 418 . 18 1 1 A 36 36 ALA C C 36 177.852 177.029 0.823 1
1 419 . 18 1 1 A 36 36 ALA CA C 36 53.179 54.066 -0.887 1
1 420 . 18 1 1 A 36 36 ALA CB C 36 19.460 17.946 1.514 1
1 421 . 18 1 1 A 36 36 ALA N N 36 123.843 120.815 3.028 1
1 422 . 18 1 1 A 37 37 LYS H H 37 8.739 8.722 0.017 1
1 423 . 18 1 1 A 37 37 LYS HA H 37 4.238 3.935 0.303 1
1 428 . 18 1 1 A 37 37 LYS C C 37 176.652 175.502 1.150 1
1 429 . 18 1 1 A 37 37 LYS CA C 37 56.659 58.346 -1.687 1
1 430 . 18 1 1 A 37 37 LYS CB C 37 34.979 30.678 4.301 1
1 434 . 18 1 1 A 37 37 LYS N N 37 117.112 115.628 1.484 1
1 435 . 18 1 1 A 38 38 THR H H 38 7.340 7.541 -0.201 1
1 436 . 18 1 1 A 38 38 THR HA H 38 4.515 4.701 -0.186 1
1 440 . 18 1 1 A 38 38 THR C C 38 173.974 174.578 -0.604 1
1 441 . 18 1 1 A 38 38 THR CA C 38 58.511 59.619 -1.108 1
1 442 . 18 1 1 A 38 38 THR CB C 38 72.797 68.943 3.854 1
1 444 . 18 1 1 A 38 38 THR N N 38 106.407 110.349 -3.942 1
1 445 . 18 1 1 A 39 39 VAL H H 39 8.886 8.203 0.683 1
1 446 . 18 1 1 A 39 39 VAL HA H 39 2.956 3.874 -0.918 1
1 451 . 18 1 1 A 39 39 VAL C C 39 176.754 177.177 -0.423 1
1 452 . 18 1 1 A 39 39 VAL CA C 39 67.409 65.527 1.882 1
1 453 . 18 1 1 A 39 39 VAL CB C 39 30.821 31.957 -1.136 1
1 455 . 18 1 1 A 39 39 VAL N N 39 122.964 123.738 -0.774 1
1 456 . 18 1 1 A 40 40 GLU H H 40 8.839 8.681 0.158 1
1 457 . 18 1 1 A 40 40 GLU HA H 40 3.865 4.121 -0.256 1
1 462 . 18 1 1 A 40 40 GLU C C 40 179.345 179.993 -0.648 1
1 463 . 18 1 1 A 40 40 GLU CA C 40 60.003 59.397 0.606 1
1 464 . 18 1 1 A 40 40 GLU CB C 40 28.676 29.046 -0.370 1
1 466 . 18 1 1 A 40 40 GLU N N 40 117.880 120.689 -2.809 1
1 467 . 18 1 1 A 41 41 GLY H H 41 8.095 8.297 -0.202 1
1 468 . 18 1 1 A 41 41 GLY HA2 H 41 3.931 3.774 0.157 1
1 469 . 18 1 1 A 41 41 GLY HA3 H 41 3.730 3.797 -0.067 1
1 470 . 18 1 1 A 41 41 GLY C C 41 176.271 175.535 0.736 1
1 471 . 18 1 1 A 41 41 GLY CA C 41 46.388 47.615 -1.227 1
1 472 . 18 1 1 A 41 41 GLY N N 41 108.686 109.247 -0.561 1
1 473 . 18 1 1 A 42 42 VAL H H 42 7.772 9.172 -1.400 1
1 474 . 18 1 1 A 42 42 VAL HA H 42 3.087 3.796 -0.709 1
1 479 . 18 1 1 A 42 42 VAL C C 42 177.003 177.987 -0.984 1
1 480 . 18 1 1 A 42 42 VAL CA C 42 67.068 65.764 1.304 1
1 481 . 18 1 1 A 42 42 VAL CB C 42 30.987 31.616 -0.629 1
1 483 . 18 1 1 A 42 42 VAL N N 42 123.069 121.978 1.091 1
1 484 . 18 1 1 A 43 43 TRP H H 43 7.518 7.696 -0.178 1
1 485 . 18 1 1 A 43 43 TRP HA H 43 4.469 4.398 0.071 1
1 493 . 18 1 1 A 43 43 TRP C C 43 179.023 178.216 0.807 1
1 494 . 18 1 1 A 43 43 TRP CA C 43 59.134 60.714 -1.580 1
1 495 . 18 1 1 A 43 43 TRP CB C 43 29.437 29.401 0.036 1
1 500 . 18 1 1 A 43 43 TRP N N 43 118.322 121.438 -3.116 1
1 502 . 18 1 1 A 44 44 THR H H 44 8.408 8.359 0.049 1
1 503 . 18 1 1 A 44 44 THR HA H 44 3.971 4.143 -0.172 1
1 508 . 18 1 1 A 44 44 THR C C 44 177.047 176.372 0.675 1
1 509 . 18 1 1 A 44 44 THR CA C 44 66.396 66.992 -0.596 1
1 510 . 18 1 1 A 44 44 THR CB C 44 69.069 69.051 0.018 1
1 512 . 18 1 1 A 44 44 THR N N 44 114.912 115.638 -0.726 1
1 513 . 18 1 1 A 45 45 LEU H H 45 7.862 9.702 -1.840 1
1 514 . 18 1 1 A 45 45 LEU HA H 45 3.584 4.051 -0.467 1
1 521 . 18 1 1 A 45 45 LEU C C 45 178.189 179.728 -1.539 1
1 522 . 18 1 1 A 45 45 LEU CA C 45 57.671 57.949 -0.278 1
1 523 . 18 1 1 A 45 45 LEU CB C 45 42.389 41.775 0.614 1
1 525 . 18 1 1 A 45 45 LEU N N 45 123.153 120.147 3.006 1
1 526 . 18 1 1 A 46 46 LYS H H 46 8.569 7.524 1.045 1
1 527 . 18 1 1 A 46 46 LYS HA H 46 3.587 4.091 -0.504 1
1 532 . 18 1 1 A 46 46 LYS C C 46 177.354 179.034 -1.680 1
1 533 . 18 1 1 A 46 46 LYS CA C 46 60.799 59.664 1.135 1
1 534 . 18 1 1 A 46 46 LYS CB C 46 30.790 32.005 -1.215 1
1 536 . 18 1 1 A 46 46 LYS N N 46 119.398 120.928 -1.530 1
1 537 . 18 1 1 A 47 47 ASP H H 47 7.694 8.125 -0.431 1
1 538 . 18 1 1 A 47 47 ASP HA H 47 4.325 4.317 0.008 1
1 541 . 18 1 1 A 47 47 ASP C C 47 179.023 178.806 0.217 1
1 542 . 18 1 1 A 47 47 ASP CA C 47 57.107 57.081 0.026 1
1 543 . 18 1 1 A 47 47 ASP CB C 47 40.292 40.769 -0.477 1
1 544 . 18 1 1 A 47 47 ASP N N 47 116.887 119.873 -2.986 1
1 545 . 18 1 1 A 48 48 GLU H H 48 7.931 8.377 -0.446 1
1 546 . 18 1 1 A 48 48 GLU HA H 48 3.773 4.086 -0.313 1
1 551 . 18 1 1 A 48 48 GLU C C 48 179.125 178.466 0.659 1
1 552 . 18 1 1 A 48 48 GLU CA C 48 59.422 58.750 0.672 1
1 553 . 18 1 1 A 48 48 GLU CB C 48 29.598 29.575 0.023 1
1 555 . 18 1 1 A 48 48 GLU N N 48 121.719 119.311 2.408 1
1 556 . 18 1 1 A 49 49 ILE H H 49 8.553 8.713 -0.160 1
1 557 . 18 1 1 A 49 49 ILE HA H 49 3.424 3.632 -0.208 1
1 565 . 18 1 1 A 49 49 ILE C C 49 178.262 177.158 1.104 1
1 566 . 18 1 1 A 49 49 ILE CA C 49 64.372 62.663 1.709 1
1 567 . 18 1 1 A 49 49 ILE CB C 49 38.278 37.437 0.841 1
1 571 . 18 1 1 A 49 49 ILE N N 49 120.672 120.363 0.309 1
1 572 . 18 1 1 A 50 50 LEU H H 50 7.831 7.686 0.145 1
1 573 . 18 1 1 A 50 50 LEU HA H 50 3.795 4.147 -0.352 1
1 580 . 18 1 1 A 50 50 LEU C C 50 178.247 178.689 -0.442 1
1 581 . 18 1 1 A 50 50 LEU CA C 50 57.039 57.380 -0.341 1
1 582 . 18 1 1 A 50 50 LEU CB C 50 41.815 41.945 -0.130 1
1 585 . 18 1 1 A 50 50 LEU N N 50 117.810 122.357 -4.547 1
1 586 . 18 1 1 A 51 51 THR H H 51 7.560 8.041 -0.481 1
1 587 . 18 1 1 A 51 51 THR HA H 51 4.066 3.875 0.191 1
1 592 . 18 1 1 A 51 51 THR C C 51 175.276 175.668 -0.392 1
1 593 . 18 1 1 A 51 51 THR CA C 51 63.281 66.629 -3.348 1
1 594 . 18 1 1 A 51 51 THR CB C 51 69.695 68.565 1.130 1
1 596 . 18 1 1 A 51 51 THR N N 51 110.196 114.937 -4.741 1
1 597 . 18 1 1 A 52 52 PHE H H 52 7.744 7.988 -0.244 1
1 598 . 18 1 1 A 52 52 PHE HA H 52 4.484 4.399 0.085 1
1 605 . 18 1 1 A 52 52 PHE C C 52 176.549 174.992 1.557 1
1 606 . 18 1 1 A 52 52 PHE CA C 52 57.742 57.007 0.735 1
1 607 . 18 1 1 A 52 52 PHE CB C 52 37.819 37.584 0.235 1
1 612 . 18 1 1 A 52 52 PHE N N 52 120.944 119.617 1.327 1
1 613 . 18 1 1 A 53 53 THR H H 53 8.028 8.592 -0.564 1
1 614 . 18 1 1 A 53 53 THR HA H 53 4.085 4.286 -0.201 1
1 619 . 18 1 1 A 53 53 THR C C 53 174.471 173.512 0.959 1
1 620 . 18 1 1 A 53 53 THR CA C 53 62.330 63.085 -0.755 1
1 621 . 18 1 1 A 53 53 THR CB C 53 69.725 70.985 -1.260 1
1 623 . 18 1 1 A 53 53 THR N N 53 113.551 113.331 0.220 1
1 624 . 18 1 1 A 54 54 VAL H H 54 7.827 7.394 0.433 1
1 625 . 18 1 1 A 54 54 VAL HA H 54 4.047 4.074 -0.027 1
1 630 . 18 1 1 A 54 54 VAL C C 54 176.067 176.285 -0.218 1
1 631 . 18 1 1 A 54 54 VAL CA C 54 62.299 62.312 -0.013 1
1 632 . 18 1 1 A 54 54 VAL CB C 54 32.633 30.774 1.859 1
1 634 . 18 1 1 A 54 54 VAL N N 54 122.128 119.544 2.584 1
1 635 . 18 1 1 A 55 55 THR H H 55 8.233 8.500 -0.267 1
1 636 . 18 1 1 A 55 55 THR HA H 55 4.212 3.980 0.232 1
1 640 . 18 1 1 A 55 55 THR C C 55 173.647 173.802 -0.155 1
1 641 . 18 1 1 A 55 55 THR CA C 55 61.620 64.224 -2.604 1
1 642 . 18 1 1 A 55 55 THR CB C 55 69.862 67.449 2.413 1
1 644 . 18 1 1 A 55 55 THR N N 55 118.471 117.435 1.036 1
1 3 . 19 1 1 A 2 2 THR H H 2 7.970 7.815 0.155 1
1 4 . 19 1 1 A 2 2 THR HA H 2 4.183 4.629 -0.446 1
1 9 . 19 1 1 A 2 2 THR C C 2 173.875 173.821 0.054 1
1 10 . 19 1 1 A 2 2 THR CA C 2 61.768 59.374 2.394 1
1 11 . 19 1 1 A 2 2 THR CB C 2 69.631 72.060 -2.429 1
1 13 . 19 1 1 A 2 2 THR N N 2 128.423 110.800 17.623 1
1 14 . 19 1 1 A 3 3 TYR H H 3 8.247 7.995 0.252 1
1 15 . 19 1 1 A 3 3 TYR HA H 3 4.271 4.748 -0.477 1
1 22 . 19 1 1 A 3 3 TYR C C 3 175.714 174.700 1.014 1
1 23 . 19 1 1 A 3 3 TYR CA C 3 58.145 57.665 0.480 1
1 24 . 19 1 1 A 3 3 TYR CB C 3 38.753 39.363 -0.610 1
1 27 . 19 1 1 A 3 3 TYR N N 3 123.871 119.106 4.765 1
1 28 . 19 1 1 A 4 4 LYS H H 4 8.009 7.394 0.615 1
1 29 . 19 1 1 A 4 4 LYS HA H 4 3.963 4.620 -0.657 1
1 36 . 19 1 1 A 4 4 LYS C C 4 175.979 176.000 -0.021 1
1 37 . 19 1 1 A 4 4 LYS CA C 4 56.821 55.861 0.960 1
1 38 . 19 1 1 A 4 4 LYS CB C 4 32.981 32.976 0.005 1
1 40 . 19 1 1 A 4 4 LYS N N 4 122.309 121.154 1.155 1
1 41 . 19 1 1 A 5 5 LEU H H 5 7.918 8.805 -0.887 1
1 42 . 19 1 1 A 5 5 LEU HA H 5 4.151 4.548 -0.397 1
1 49 . 19 1 1 A 5 5 LEU C C 5 176.945 177.543 -0.598 1
1 50 . 19 1 1 A 5 5 LEU CA C 5 55.320 55.674 -0.354 1
1 51 . 19 1 1 A 5 5 LEU CB C 5 42.054 44.416 -2.362 1
1 55 . 19 1 1 A 5 5 LEU N N 5 121.830 126.488 -4.658 1
1 56 . 19 1 1 A 6 6 ILE H H 6 7.974 7.924 0.050 1
1 57 . 19 1 1 A 6 6 ILE HA H 6 3.959 4.201 -0.242 1
1 67 . 19 1 1 A 6 6 ILE C C 6 176.110 175.233 0.877 1
1 68 . 19 1 1 A 6 6 ILE CA C 6 61.287 63.010 -1.723 1
1 69 . 19 1 1 A 6 6 ILE CB C 6 38.228 37.815 0.413 1
1 73 . 19 1 1 A 6 6 ILE N N 6 121.898 118.721 3.177 1
1 74 . 19 1 1 A 7 7 LEU H H 7 8.071 8.440 -0.369 1
1 75 . 19 1 1 A 7 7 LEU HA H 7 4.316 4.014 0.302 1
1 82 . 19 1 1 A 7 7 LEU C C 7 176.915 176.758 0.157 1
1 83 . 19 1 1 A 7 7 LEU CA C 7 55.177 57.233 -2.056 1
1 84 . 19 1 1 A 7 7 LEU CB C 7 43.080 40.755 2.325 1
1 86 . 19 1 1 A 7 7 LEU N N 7 125.296 120.626 4.670 1
1 87 . 19 1 1 A 8 8 ASN H H 8 8.021 8.245 -0.224 1
1 88 . 19 1 1 A 8 8 ASN HA H 8 4.570 4.514 0.056 1
1 91 . 19 1 1 A 8 8 ASN C C 8 175.203 175.559 -0.356 1
1 92 . 19 1 1 A 8 8 ASN CA C 8 52.320 54.567 -2.247 1
1 93 . 19 1 1 A 8 8 ASN CB C 8 39.229 37.236 1.993 1
1 94 . 19 1 1 A 8 8 ASN N N 8 117.805 116.628 1.177 1
1 95 . 19 1 1 A 9 9 LEU H H 9 8.385 7.843 0.542 1
1 96 . 19 1 1 A 9 9 LEU HA H 9 3.718 4.154 -0.436 1
1 106 . 19 1 1 A 9 9 LEU C C 9 177.150 178.222 -1.072 1
1 107 . 19 1 1 A 9 9 LEU CA C 9 58.501 57.659 0.842 1
1 108 . 19 1 1 A 9 9 LEU CB C 9 42.085 41.556 0.529 1
1 111 . 19 1 1 A 9 9 LEU N N 9 122.110 120.009 2.101 1
1 112 . 19 1 1 A 10 10 LYS H H 10 8.027 8.154 -0.127 1
1 113 . 19 1 1 A 10 10 LYS HA H 10 3.824 3.893 -0.069 1
1 118 . 19 1 1 A 10 10 LYS C C 10 178.555 178.822 -0.267 1
1 119 . 19 1 1 A 10 10 LYS CA C 10 59.893 59.785 0.108 1
1 120 . 19 1 1 A 10 10 LYS CB C 10 32.143 32.269 -0.126 1
1 123 . 19 1 1 A 10 10 LYS N N 10 118.739 119.262 -0.523 1
1 124 . 19 1 1 A 11 11 GLN H H 11 7.574 7.914 -0.340 1
1 125 . 19 1 1 A 11 11 GLN HA H 11 3.984 4.142 -0.158 1
1 130 . 19 1 1 A 11 11 GLN C C 11 175.218 178.315 -3.097 1
1 131 . 19 1 1 A 11 11 GLN CA C 11 59.252 58.753 0.499 1
1 132 . 19 1 1 A 11 11 GLN CB C 11 29.579 28.384 1.195 1
1 134 . 19 1 1 A 11 11 GLN N N 11 117.396 117.900 -0.504 1
1 135 . 19 1 1 A 12 12 ALA H H 12 8.432 8.069 0.363 1
1 136 . 19 1 1 A 12 12 ALA HA H 12 4.001 4.102 -0.101 1
1 140 . 19 1 1 A 12 12 ALA C C 12 179.374 180.311 -0.937 1
1 141 . 19 1 1 A 12 12 ALA CA C 12 55.373 55.112 0.261 1
1 142 . 19 1 1 A 12 12 ALA CB C 12 18.214 18.427 -0.213 1
1 143 . 19 1 1 A 12 12 ALA N N 12 122.547 122.516 0.031 1
1 144 . 19 1 1 A 13 13 LYS H H 13 8.276 8.085 0.191 1
1 145 . 19 1 1 A 13 13 LYS HA H 13 3.404 4.155 -0.751 1
1 152 . 19 1 1 A 13 13 LYS C C 13 178.467 178.839 -0.372 1
1 153 . 19 1 1 A 13 13 LYS CA C 13 60.801 59.023 1.778 1
1 154 . 19 1 1 A 13 13 LYS CB C 13 33.111 32.272 0.839 1
1 157 . 19 1 1 A 13 13 LYS N N 13 116.459 117.514 -1.055 1
1 158 . 19 1 1 A 14 14 GLU H H 14 7.840 8.036 -0.196 1
1 159 . 19 1 1 A 14 14 GLU HA H 14 3.755 4.079 -0.324 1
1 164 . 19 1 1 A 14 14 GLU C C 14 177.720 178.462 -0.742 1
1 165 . 19 1 1 A 14 14 GLU CA C 14 59.737 59.555 0.182 1
1 166 . 19 1 1 A 14 14 GLU CB C 14 29.453 29.299 0.154 1
1 168 . 19 1 1 A 14 14 GLU N N 14 116.581 119.901 -3.320 1
1 169 . 19 1 1 A 15 15 GLU H H 15 8.269 8.257 0.012 1
1 170 . 19 1 1 A 15 15 GLU HA H 15 3.961 4.125 -0.164 1
1 175 . 19 1 1 A 15 15 GLU C C 15 178.438 178.883 -0.445 1
1 176 . 19 1 1 A 15 15 GLU CA C 15 58.383 59.120 -0.737 1
1 177 . 19 1 1 A 15 15 GLU CB C 15 28.994 29.312 -0.318 1
1 179 . 19 1 1 A 15 15 GLU N N 15 115.657 119.852 -4.195 1
1 180 . 19 1 1 A 16 16 ALA H H 16 8.500 7.691 0.809 1
1 181 . 19 1 1 A 16 16 ALA HA H 16 3.939 4.141 -0.202 1
1 185 . 19 1 1 A 16 16 ALA C C 16 179.330 179.964 -0.634 1
1 186 . 19 1 1 A 16 16 ALA CA C 16 55.401 55.102 0.299 1
1 187 . 19 1 1 A 16 16 ALA CB C 16 18.980 18.682 0.298 1
1 188 . 19 1 1 A 16 16 ALA N N 16 122.087 122.016 0.071 1
1 189 . 19 1 1 A 17 17 ILE H H 17 8.598 8.624 -0.026 1
1 190 . 19 1 1 A 17 17 ILE HA H 17 3.334 3.635 -0.301 1
1 195 . 19 1 1 A 17 17 ILE C C 17 177.120 178.023 -0.903 1
1 196 . 19 1 1 A 17 17 ILE CA C 17 66.876 65.554 1.322 1
1 197 . 19 1 1 A 17 17 ILE CB C 17 37.817 37.916 -0.099 1
1 200 . 19 1 1 A 17 17 ILE N N 17 117.395 118.871 -1.476 1
1 201 . 19 1 1 A 18 18 LYS H H 18 7.633 7.711 -0.078 1
1 202 . 19 1 1 A 18 18 LYS HA H 18 3.748 3.960 -0.212 1
1 209 . 19 1 1 A 18 18 LYS C C 18 179.199 179.849 -0.650 1
1 210 . 19 1 1 A 18 18 LYS CA C 18 60.001 59.957 0.044 1
1 211 . 19 1 1 A 18 18 LYS CB C 18 32.538 32.066 0.472 1
1 213 . 19 1 1 A 18 18 LYS N N 18 119.143 118.700 0.443 1
1 214 . 19 1 1 A 19 19 GLU H H 19 8.192 7.960 0.232 1
1 215 . 19 1 1 A 19 19 GLU HA H 19 3.942 4.071 -0.129 1
1 220 . 19 1 1 A 19 19 GLU C C 19 179.813 178.932 0.881 1
1 221 . 19 1 1 A 19 19 GLU CA C 19 59.577 59.097 0.480 1
1 222 . 19 1 1 A 19 19 GLU CB C 19 29.756 29.549 0.207 1
1 224 . 19 1 1 A 19 19 GLU N N 19 118.201 119.957 -1.756 1
1 225 . 19 1 1 A 20 20 LEU H H 20 8.128 7.981 0.147 1
1 226 . 19 1 1 A 20 20 LEU HA H 20 3.877 4.165 -0.288 1
1 233 . 19 1 1 A 20 20 LEU C C 20 178.906 178.801 0.105 1
1 234 . 19 1 1 A 20 20 LEU CA C 20 58.171 57.809 0.362 1
1 235 . 19 1 1 A 20 20 LEU CB C 20 41.496 41.920 -0.424 1
1 238 . 19 1 1 A 20 20 LEU N N 20 119.841 121.539 -1.698 1
1 239 . 19 1 1 A 21 21 VAL H H 21 9.063 8.651 0.412 1
1 240 . 19 1 1 A 21 21 VAL HA H 21 3.608 3.583 0.025 1
1 245 . 19 1 1 A 21 21 VAL C C 21 176.301 177.552 -1.251 1
1 246 . 19 1 1 A 21 21 VAL CA C 21 66.684 67.095 -0.411 1
1 247 . 19 1 1 A 21 21 VAL CB C 21 31.879 31.406 0.473 1
1 249 . 19 1 1 A 21 21 VAL N N 21 122.114 119.547 2.567 1
1 250 . 19 1 1 A 22 22 ASP H H 22 8.427 8.038 0.389 1
1 251 . 19 1 1 A 22 22 ASP HA H 22 4.276 4.543 -0.267 1
1 254 . 19 1 1 A 22 22 ASP C C 22 177.428 177.882 -0.454 1
1 255 . 19 1 1 A 22 22 ASP CA C 22 57.143 56.210 0.933 1
1 256 . 19 1 1 A 22 22 ASP CB C 22 40.015 41.373 -1.358 1
1 257 . 19 1 1 A 22 22 ASP N N 22 122.544 120.334 2.210 1
1 258 . 19 1 1 A 23 23 ALA H H 23 7.451 7.788 -0.337 1
1 259 . 19 1 1 A 23 23 ALA HA H 23 4.284 4.294 -0.010 1
1 263 . 19 1 1 A 23 23 ALA C C 23 177.647 177.777 -0.130 1
1 264 . 19 1 1 A 23 23 ALA CA C 23 52.140 52.140 0.000 1
1 265 . 19 1 1 A 23 23 ALA CB C 23 19.094 19.681 -0.587 1
1 266 . 19 1 1 A 23 23 ALA N N 23 119.690 118.748 0.942 1
1 267 . 19 1 1 A 24 24 GLY H H 24 8.007 8.488 -0.481 1
1 268 . 19 1 1 A 24 24 GLY HA2 H 24 3.930 3.895 0.035 1
1 269 . 19 1 1 A 24 24 GLY HA3 H 24 3.786 3.914 -0.128 1
1 270 . 19 1 1 A 24 24 GLY C C 24 174.852 173.554 1.298 1
1 271 . 19 1 1 A 24 24 GLY CA C 24 45.939 46.849 -0.910 1
1 272 . 19 1 1 A 24 24 GLY N N 24 107.876 107.031 0.845 1
1 273 . 19 1 1 A 25 25 ILE H H 25 7.628 7.985 -0.357 1
1 274 . 19 1 1 A 25 25 ILE HA H 25 3.880 4.698 -0.818 1
1 281 . 19 1 1 A 25 25 ILE C C 25 174.954 174.109 0.845 1
1 282 . 19 1 1 A 25 25 ILE CA C 25 58.787 59.890 -1.103 1
1 283 . 19 1 1 A 25 25 ILE CB C 25 36.014 39.271 -3.257 1
1 286 . 19 1 1 A 25 25 ILE N N 25 121.226 119.737 1.489 1
1 287 . 19 1 1 A 26 26 ALA H H 26 8.454 8.682 -0.228 1
1 288 . 19 1 1 A 26 26 ALA HA H 26 4.164 4.168 -0.004 1
1 292 . 19 1 1 A 26 26 ALA C C 26 178.921 179.039 -0.118 1
1 293 . 19 1 1 A 26 26 ALA CA C 26 52.978 52.956 0.022 1
1 294 . 19 1 1 A 26 26 ALA CB C 26 19.648 19.405 0.243 1
1 295 . 19 1 1 A 26 26 ALA N N 26 127.062 125.423 1.639 1
1 296 . 19 1 1 A 27 27 GLU H H 27 8.652 8.815 -0.163 1
1 297 . 19 1 1 A 27 27 GLU HA H 27 3.728 4.101 -0.373 1
1 302 . 19 1 1 A 27 27 GLU C C 27 179.886 178.791 1.095 1
1 303 . 19 1 1 A 27 27 GLU CA C 27 59.830 58.945 0.885 1
1 304 . 19 1 1 A 27 27 GLU CB C 27 29.682 28.622 1.060 1
1 306 . 19 1 1 A 27 27 GLU N N 27 122.104 124.910 -2.806 1
1 307 . 19 1 1 A 28 28 LYS H H 28 8.315 8.136 0.179 1
1 308 . 19 1 1 A 28 28 LYS HA H 28 3.789 4.024 -0.235 1
1 315 . 19 1 1 A 28 28 LYS C C 28 177.179 178.625 -1.446 1
1 316 . 19 1 1 A 28 28 LYS CA C 28 58.673 59.432 -0.759 1
1 317 . 19 1 1 A 28 28 LYS CB C 28 31.279 32.145 -0.866 1
1 320 . 19 1 1 A 28 28 LYS N N 28 119.368 120.574 -1.206 1
1 321 . 19 1 1 A 29 29 TYR H H 29 7.372 8.041 -0.669 1
1 322 . 19 1 1 A 29 29 TYR HA H 29 4.448 4.307 0.141 1
1 329 . 19 1 1 A 29 29 TYR C C 29 177.413 178.495 -1.082 1
1 330 . 19 1 1 A 29 29 TYR CA C 29 59.246 61.158 -1.912 1
1 331 . 19 1 1 A 29 29 TYR CB C 29 38.528 37.638 0.890 1
1 336 . 19 1 1 A 29 29 TYR N N 29 116.907 118.860 -1.953 1
1 337 . 19 1 1 A 30 30 ILE H H 30 7.448 8.582 -1.134 1
1 338 . 19 1 1 A 30 30 ILE HA H 30 3.359 3.896 -0.537 1
1 345 . 19 1 1 A 30 30 ILE C C 30 177.662 177.732 -0.070 1
1 346 . 19 1 1 A 30 30 ILE CA C 30 65.541 63.671 1.870 1
1 347 . 19 1 1 A 30 30 ILE CB C 30 37.362 37.706 -0.344 1
1 350 . 19 1 1 A 30 30 ILE N N 30 120.953 120.680 0.273 1
1 351 . 19 1 1 A 31 31 LYS H H 31 7.835 8.129 -0.294 1
1 352 . 19 1 1 A 31 31 LYS HA H 31 3.831 4.065 -0.234 1
1 357 . 19 1 1 A 31 31 LYS C C 31 178.218 179.234 -1.016 1
1 358 . 19 1 1 A 31 31 LYS CA C 31 58.702 59.083 -0.381 1
1 359 . 19 1 1 A 31 31 LYS CB C 31 32.198 31.923 0.275 1
1 363 . 19 1 1 A 31 31 LYS N N 31 116.536 122.166 -5.630 1
1 364 . 19 1 1 A 32 32 LEU H H 32 7.335 7.785 -0.450 1
1 365 . 19 1 1 A 32 32 LEU HA H 32 3.905 3.903 0.002 1
1 372 . 19 1 1 A 32 32 LEU C C 32 179.901 179.284 0.617 1
1 373 . 19 1 1 A 32 32 LEU CA C 32 57.366 57.807 -0.441 1
1 374 . 19 1 1 A 32 32 LEU CB C 32 41.550 41.292 0.258 1
1 377 . 19 1 1 A 32 32 LEU N N 32 117.191 118.973 -1.782 1
1 378 . 19 1 1 A 33 33 ILE H H 33 7.409 7.462 -0.053 1
1 379 . 19 1 1 A 33 33 ILE HA H 33 3.522 3.992 -0.470 1
1 389 . 19 1 1 A 33 33 ILE C C 33 177.354 178.198 -0.844 1
1 390 . 19 1 1 A 33 33 ILE CA C 33 62.128 63.460 -1.332 1
1 391 . 19 1 1 A 33 33 ILE CB C 33 35.578 38.188 -2.610 1
1 395 . 19 1 1 A 33 33 ILE N N 33 117.873 114.631 3.242 1
1 396 . 19 1 1 A 34 34 ALA H H 34 7.615 9.026 -1.411 1
1 397 . 19 1 1 A 34 34 ALA HA H 34 3.774 4.022 -0.248 1
1 401 . 19 1 1 A 34 34 ALA C C 34 178.789 180.211 -1.422 1
1 402 . 19 1 1 A 34 34 ALA CA C 34 54.717 54.847 -0.130 1
1 403 . 19 1 1 A 34 34 ALA CB C 34 18.384 18.416 -0.032 1
1 404 . 19 1 1 A 34 34 ALA N N 34 119.178 124.176 -4.998 1
1 405 . 19 1 1 A 35 35 ASN H H 35 7.354 8.074 -0.720 1
1 406 . 19 1 1 A 35 35 ASN HA H 35 4.572 4.599 -0.027 1
1 409 . 19 1 1 A 35 35 ASN C C 35 175.482 175.094 0.388 1
1 410 . 19 1 1 A 35 35 ASN CA C 35 52.835 54.740 -1.905 1
1 411 . 19 1 1 A 35 35 ASN CB C 35 39.178 39.035 0.143 1
1 412 . 19 1 1 A 35 35 ASN N N 35 113.033 116.886 -3.853 1
1 413 . 19 1 1 A 36 36 ALA H H 36 7.439 8.007 -0.568 1
1 414 . 19 1 1 A 36 36 ALA HA H 36 4.078 3.925 0.153 1
1 418 . 19 1 1 A 36 36 ALA C C 36 177.852 177.038 0.814 1
1 419 . 19 1 1 A 36 36 ALA CA C 36 53.179 54.013 -0.834 1
1 420 . 19 1 1 A 36 36 ALA CB C 36 19.460 17.933 1.527 1
1 421 . 19 1 1 A 36 36 ALA N N 36 123.843 121.066 2.777 1
1 422 . 19 1 1 A 37 37 LYS H H 37 8.739 8.738 0.001 1
1 423 . 19 1 1 A 37 37 LYS HA H 37 4.238 4.288 -0.050 1
1 428 . 19 1 1 A 37 37 LYS C C 37 176.652 175.226 1.426 1
1 429 . 19 1 1 A 37 37 LYS CA C 37 56.659 57.747 -1.088 1
1 430 . 19 1 1 A 37 37 LYS CB C 37 34.979 32.135 2.844 1
1 434 . 19 1 1 A 37 37 LYS N N 37 117.112 118.392 -1.280 1
1 435 . 19 1 1 A 38 38 THR H H 38 7.340 7.490 -0.150 1
1 436 . 19 1 1 A 38 38 THR HA H 38 4.515 4.600 -0.085 1
1 440 . 19 1 1 A 38 38 THR C C 38 173.974 174.497 -0.523 1
1 441 . 19 1 1 A 38 38 THR CA C 38 58.511 59.499 -0.988 1
1 442 . 19 1 1 A 38 38 THR CB C 38 72.797 68.930 3.867 1
1 444 . 19 1 1 A 38 38 THR N N 38 106.407 109.346 -2.939 1
1 445 . 19 1 1 A 39 39 VAL H H 39 8.886 8.029 0.857 1
1 446 . 19 1 1 A 39 39 VAL HA H 39 2.956 3.752 -0.796 1
1 451 . 19 1 1 A 39 39 VAL C C 39 176.754 176.882 -0.128 1
1 452 . 19 1 1 A 39 39 VAL CA C 39 67.409 65.352 2.057 1
1 453 . 19 1 1 A 39 39 VAL CB C 39 30.821 31.891 -1.070 1
1 455 . 19 1 1 A 39 39 VAL N N 39 122.964 123.534 -0.570 1
1 456 . 19 1 1 A 40 40 GLU H H 40 8.839 8.107 0.732 1
1 457 . 19 1 1 A 40 40 GLU HA H 40 3.865 1.195 2.670 1
1 462 . 19 1 1 A 40 40 GLU C C 40 179.345 178.762 0.583 1
1 463 . 19 1 1 A 40 40 GLU CA C 40 60.003 58.130 1.873 1
1 464 . 19 1 1 A 40 40 GLU CB C 40 28.676 28.538 0.138 1
1 466 . 19 1 1 A 40 40 GLU N N 40 117.880 119.709 -1.829 1
1 467 . 19 1 1 A 41 41 GLY H H 41 8.095 7.969 0.126 1
1 468 . 19 1 1 A 41 41 GLY HA2 H 41 3.931 3.496 0.435 1
1 469 . 19 1 1 A 41 41 GLY HA3 H 41 3.730 3.547 0.183 1
1 470 . 19 1 1 A 41 41 GLY C C 41 176.271 175.675 0.596 1
1 471 . 19 1 1 A 41 41 GLY CA C 41 46.388 47.176 -0.788 1
1 472 . 19 1 1 A 41 41 GLY N N 41 108.686 109.927 -1.241 1
1 473 . 19 1 1 A 42 42 VAL H H 42 7.772 8.880 -1.108 1
1 474 . 19 1 1 A 42 42 VAL HA H 42 3.087 3.704 -0.617 1
1 479 . 19 1 1 A 42 42 VAL C C 42 177.003 177.647 -0.644 1
1 480 . 19 1 1 A 42 42 VAL CA C 42 67.068 65.585 1.483 1
1 481 . 19 1 1 A 42 42 VAL CB C 42 30.987 31.661 -0.674 1
1 483 . 19 1 1 A 42 42 VAL N N 42 123.069 121.451 1.618 1
1 484 . 19 1 1 A 43 43 TRP H H 43 7.518 7.673 -0.155 1
1 485 . 19 1 1 A 43 43 TRP HA H 43 4.469 4.592 -0.123 1
1 493 . 19 1 1 A 43 43 TRP C C 43 179.023 179.046 -0.023 1
1 494 . 19 1 1 A 43 43 TRP CA C 43 59.134 58.704 0.430 1
1 495 . 19 1 1 A 43 43 TRP CB C 43 29.437 28.463 0.974 1
1 500 . 19 1 1 A 43 43 TRP N N 43 118.322 119.803 -1.481 1
1 502 . 19 1 1 A 44 44 THR H H 44 8.408 7.799 0.609 1
1 503 . 19 1 1 A 44 44 THR HA H 44 3.971 4.248 -0.277 1
1 508 . 19 1 1 A 44 44 THR C C 44 177.047 176.545 0.502 1
1 509 . 19 1 1 A 44 44 THR CA C 44 66.396 67.058 -0.662 1
1 510 . 19 1 1 A 44 44 THR CB C 44 69.069 68.902 0.167 1
1 512 . 19 1 1 A 44 44 THR N N 44 114.912 116.453 -1.541 1
1 513 . 19 1 1 A 45 45 LEU H H 45 7.862 9.763 -1.901 1
1 514 . 19 1 1 A 45 45 LEU HA H 45 3.584 4.090 -0.506 1
1 521 . 19 1 1 A 45 45 LEU C C 45 178.189 179.892 -1.703 1
1 522 . 19 1 1 A 45 45 LEU CA C 45 57.671 57.882 -0.211 1
1 523 . 19 1 1 A 45 45 LEU CB C 45 42.389 40.911 1.478 1
1 525 . 19 1 1 A 45 45 LEU N N 45 123.153 120.918 2.235 1
1 526 . 19 1 1 A 46 46 LYS H H 46 8.569 7.692 0.877 1
1 527 . 19 1 1 A 46 46 LYS HA H 46 3.587 4.178 -0.591 1
1 532 . 19 1 1 A 46 46 LYS C C 46 177.354 178.797 -1.443 1
1 533 . 19 1 1 A 46 46 LYS CA C 46 60.799 59.766 1.033 1
1 534 . 19 1 1 A 46 46 LYS CB C 46 30.790 32.251 -1.461 1
1 536 . 19 1 1 A 46 46 LYS N N 46 119.398 121.153 -1.755 1
1 537 . 19 1 1 A 47 47 ASP H H 47 7.694 8.255 -0.561 1
1 538 . 19 1 1 A 47 47 ASP HA H 47 4.325 4.438 -0.113 1
1 541 . 19 1 1 A 47 47 ASP C C 47 179.023 178.799 0.224 1
1 542 . 19 1 1 A 47 47 ASP CA C 47 57.107 56.796 0.311 1
1 543 . 19 1 1 A 47 47 ASP CB C 47 40.292 40.631 -0.339 1
1 544 . 19 1 1 A 47 47 ASP N N 47 116.887 120.003 -3.116 1
1 545 . 19 1 1 A 48 48 GLU H H 48 7.931 8.073 -0.142 1
1 546 . 19 1 1 A 48 48 GLU HA H 48 3.773 4.118 -0.345 1
1 551 . 19 1 1 A 48 48 GLU C C 48 179.125 178.602 0.523 1
1 552 . 19 1 1 A 48 48 GLU CA C 48 59.422 58.752 0.670 1
1 553 . 19 1 1 A 48 48 GLU CB C 48 29.598 29.543 0.055 1
1 555 . 19 1 1 A 48 48 GLU N N 48 121.719 118.776 2.943 1
1 556 . 19 1 1 A 49 49 ILE H H 49 8.553 8.762 -0.209 1
1 557 . 19 1 1 A 49 49 ILE HA H 49 3.424 3.671 -0.247 1
1 565 . 19 1 1 A 49 49 ILE C C 49 178.262 177.199 1.063 1
1 566 . 19 1 1 A 49 49 ILE CA C 49 64.372 62.836 1.536 1
1 567 . 19 1 1 A 49 49 ILE CB C 49 38.278 37.505 0.773 1
1 571 . 19 1 1 A 49 49 ILE N N 49 120.672 120.401 0.271 1
1 572 . 19 1 1 A 50 50 LEU H H 50 7.831 7.618 0.213 1
1 573 . 19 1 1 A 50 50 LEU HA H 50 3.795 4.166 -0.371 1
1 580 . 19 1 1 A 50 50 LEU C C 50 178.247 178.763 -0.516 1
1 581 . 19 1 1 A 50 50 LEU CA C 50 57.039 57.408 -0.369 1
1 582 . 19 1 1 A 50 50 LEU CB C 50 41.815 42.002 -0.187 1
1 585 . 19 1 1 A 50 50 LEU N N 50 117.810 122.460 -4.650 1
1 586 . 19 1 1 A 51 51 THR H H 51 7.560 8.046 -0.486 1
1 587 . 19 1 1 A 51 51 THR HA H 51 4.066 3.906 0.160 1
1 592 . 19 1 1 A 51 51 THR C C 51 175.276 175.741 -0.465 1
1 593 . 19 1 1 A 51 51 THR CA C 51 63.281 66.718 -3.437 1
1 594 . 19 1 1 A 51 51 THR CB C 51 69.695 68.515 1.180 1
1 596 . 19 1 1 A 51 51 THR N N 51 110.196 114.920 -4.724 1
1 597 . 19 1 1 A 52 52 PHE H H 52 7.744 7.876 -0.132 1
1 598 . 19 1 1 A 52 52 PHE HA H 52 4.484 4.293 0.191 1
1 605 . 19 1 1 A 52 52 PHE C C 52 176.549 175.130 1.419 1
1 606 . 19 1 1 A 52 52 PHE CA C 52 57.742 56.779 0.963 1
1 607 . 19 1 1 A 52 52 PHE CB C 52 37.819 37.651 0.168 1
1 612 . 19 1 1 A 52 52 PHE N N 52 120.944 119.406 1.538 1
1 613 . 19 1 1 A 53 53 THR H H 53 8.028 8.447 -0.419 1
1 614 . 19 1 1 A 53 53 THR HA H 53 4.085 4.299 -0.214 1
1 619 . 19 1 1 A 53 53 THR C C 53 174.471 175.173 -0.702 1
1 620 . 19 1 1 A 53 53 THR CA C 53 62.330 63.161 -0.831 1
1 621 . 19 1 1 A 53 53 THR CB C 53 69.725 70.665 -0.940 1
1 623 . 19 1 1 A 53 53 THR N N 53 113.551 113.328 0.223 1
1 624 . 19 1 1 A 54 54 VAL H H 54 7.827 7.876 -0.049 1
1 625 . 19 1 1 A 54 54 VAL HA H 54 4.047 3.719 0.328 1
1 630 . 19 1 1 A 54 54 VAL C C 54 176.067 176.303 -0.236 1
1 631 . 19 1 1 A 54 54 VAL CA C 54 62.299 65.252 -2.953 1
1 632 . 19 1 1 A 54 54 VAL CB C 54 32.633 31.993 0.640 1
1 634 . 19 1 1 A 54 54 VAL N N 54 122.128 118.561 3.567 1
1 635 . 19 1 1 A 55 55 THR H H 55 8.233 8.027 0.206 1
1 636 . 19 1 1 A 55 55 THR HA H 55 4.212 4.104 0.108 1
1 640 . 19 1 1 A 55 55 THR C C 55 173.647 174.448 -0.801 1
1 641 . 19 1 1 A 55 55 THR CA C 55 61.620 62.628 -1.008 1
1 642 . 19 1 1 A 55 55 THR CB C 55 69.862 67.322 2.540 1
1 644 . 19 1 1 A 55 55 THR N N 55 118.471 113.030 5.441 1
1 3 . 20 1 1 A 2 2 THR H H 2 7.970 7.834 0.136 1
1 4 . 20 1 1 A 2 2 THR HA H 2 4.183 4.552 -0.369 1
1 9 . 20 1 1 A 2 2 THR C C 2 173.875 175.296 -1.421 1
1 10 . 20 1 1 A 2 2 THR CA C 2 61.768 62.627 -0.859 1
1 11 . 20 1 1 A 2 2 THR CB C 2 69.631 70.026 -0.395 1
1 13 . 20 1 1 A 2 2 THR N N 2 128.423 109.449 18.974 1
1 14 . 20 1 1 A 3 3 TYR H H 3 8.247 8.205 0.042 1
1 15 . 20 1 1 A 3 3 TYR HA H 3 4.271 4.184 0.087 1
1 22 . 20 1 1 A 3 3 TYR C C 3 175.714 174.720 0.994 1
1 23 . 20 1 1 A 3 3 TYR CA C 3 58.145 58.993 -0.848 1
1 24 . 20 1 1 A 3 3 TYR CB C 3 38.753 37.318 1.435 1
1 27 . 20 1 1 A 3 3 TYR N N 3 123.871 121.508 2.363 1
1 28 . 20 1 1 A 4 4 LYS H H 4 8.009 7.778 0.231 1
1 29 . 20 1 1 A 4 4 LYS HA H 4 3.963 4.606 -0.643 1
1 36 . 20 1 1 A 4 4 LYS C C 4 175.979 176.501 -0.522 1
1 37 . 20 1 1 A 4 4 LYS CA C 4 56.821 57.674 -0.853 1
1 38 . 20 1 1 A 4 4 LYS CB C 4 32.981 34.417 -1.436 1
1 40 . 20 1 1 A 4 4 LYS N N 4 122.309 118.286 4.023 1
1 41 . 20 1 1 A 5 5 LEU H H 5 7.918 8.048 -0.130 1
1 42 . 20 1 1 A 5 5 LEU HA H 5 4.151 3.914 0.237 1
1 49 . 20 1 1 A 5 5 LEU C C 5 176.945 176.518 0.427 1
1 50 . 20 1 1 A 5 5 LEU CA C 5 55.320 57.271 -1.951 1
1 51 . 20 1 1 A 5 5 LEU CB C 5 42.054 40.611 1.443 1
1 55 . 20 1 1 A 5 5 LEU N N 5 121.830 120.043 1.787 1
1 56 . 20 1 1 A 6 6 ILE H H 6 7.974 8.032 -0.058 1
1 57 . 20 1 1 A 6 6 ILE HA H 6 3.959 3.747 0.212 1
1 67 . 20 1 1 A 6 6 ILE C C 6 176.110 174.723 1.387 1
1 68 . 20 1 1 A 6 6 ILE CA C 6 61.287 61.622 -0.335 1
1 69 . 20 1 1 A 6 6 ILE CB C 6 38.228 36.762 1.466 1
1 73 . 20 1 1 A 6 6 ILE N N 6 121.898 118.058 3.840 1
1 74 . 20 1 1 A 7 7 LEU H H 7 8.071 8.159 -0.088 1
1 75 . 20 1 1 A 7 7 LEU HA H 7 4.316 5.023 -0.707 1
1 82 . 20 1 1 A 7 7 LEU C C 7 176.915 176.371 0.544 1
1 83 . 20 1 1 A 7 7 LEU CA C 7 55.177 53.088 2.089 1
1 84 . 20 1 1 A 7 7 LEU CB C 7 43.080 45.319 -2.239 1
1 86 . 20 1 1 A 7 7 LEU N N 7 125.296 126.099 -0.803 1
1 87 . 20 1 1 A 8 8 ASN H H 8 8.021 8.779 -0.758 1
1 88 . 20 1 1 A 8 8 ASN HA H 8 4.570 4.933 -0.363 1
1 91 . 20 1 1 A 8 8 ASN C C 8 175.203 175.557 -0.354 1
1 92 . 20 1 1 A 8 8 ASN CA C 8 52.320 54.147 -1.827 1
1 93 . 20 1 1 A 8 8 ASN CB C 8 39.229 41.337 -2.108 1
1 94 . 20 1 1 A 8 8 ASN N N 8 117.805 117.649 0.156 1
1 95 . 20 1 1 A 9 9 LEU H H 9 8.385 8.159 0.226 1
1 96 . 20 1 1 A 9 9 LEU HA H 9 3.718 4.116 -0.398 1
1 106 . 20 1 1 A 9 9 LEU C C 9 177.150 178.568 -1.418 1
1 107 . 20 1 1 A 9 9 LEU CA C 9 58.501 58.127 0.374 1
1 108 . 20 1 1 A 9 9 LEU CB C 9 42.085 41.534 0.551 1
1 111 . 20 1 1 A 9 9 LEU N N 9 122.110 121.533 0.577 1
1 112 . 20 1 1 A 10 10 LYS H H 10 8.027 8.090 -0.063 1
1 113 . 20 1 1 A 10 10 LYS HA H 10 3.824 3.921 -0.097 1
1 118 . 20 1 1 A 10 10 LYS C C 10 178.555 178.828 -0.273 1
1 119 . 20 1 1 A 10 10 LYS CA C 10 59.893 59.806 0.087 1
1 120 . 20 1 1 A 10 10 LYS CB C 10 32.143 32.284 -0.141 1
1 123 . 20 1 1 A 10 10 LYS N N 10 118.739 118.995 -0.256 1
1 124 . 20 1 1 A 11 11 GLN H H 11 7.574 8.122 -0.548 1
1 125 . 20 1 1 A 11 11 GLN HA H 11 3.984 4.194 -0.210 1
1 130 . 20 1 1 A 11 11 GLN C C 11 175.218 178.154 -2.936 1
1 131 . 20 1 1 A 11 11 GLN CA C 11 59.252 58.365 0.887 1
1 132 . 20 1 1 A 11 11 GLN CB C 11 29.579 28.546 1.033 1
1 134 . 20 1 1 A 11 11 GLN N N 11 117.396 118.385 -0.989 1
1 135 . 20 1 1 A 12 12 ALA H H 12 8.432 8.391 0.041 1
1 136 . 20 1 1 A 12 12 ALA HA H 12 4.001 4.211 -0.210 1
1 140 . 20 1 1 A 12 12 ALA C C 12 179.374 180.386 -1.012 1
1 141 . 20 1 1 A 12 12 ALA CA C 12 55.373 55.102 0.271 1
1 142 . 20 1 1 A 12 12 ALA CB C 12 18.214 18.578 -0.364 1
1 143 . 20 1 1 A 12 12 ALA N N 12 122.547 122.982 -0.435 1
1 144 . 20 1 1 A 13 13 LYS H H 13 8.276 8.066 0.210 1
1 145 . 20 1 1 A 13 13 LYS HA H 13 3.404 4.136 -0.732 1
1 152 . 20 1 1 A 13 13 LYS C C 13 178.467 178.826 -0.359 1
1 153 . 20 1 1 A 13 13 LYS CA C 13 60.801 59.098 1.703 1
1 154 . 20 1 1 A 13 13 LYS CB C 13 33.111 32.284 0.827 1
1 157 . 20 1 1 A 13 13 LYS N N 13 116.459 117.540 -1.081 1
1 158 . 20 1 1 A 14 14 GLU H H 14 7.840 7.930 -0.090 1
1 159 . 20 1 1 A 14 14 GLU HA H 14 3.755 4.044 -0.289 1
1 164 . 20 1 1 A 14 14 GLU C C 14 177.720 178.585 -0.865 1
1 165 . 20 1 1 A 14 14 GLU CA C 14 59.737 59.532 0.205 1
1 166 . 20 1 1 A 14 14 GLU CB C 14 29.453 29.361 0.092 1
1 168 . 20 1 1 A 14 14 GLU N N 14 116.581 119.945 -3.364 1
1 169 . 20 1 1 A 15 15 GLU H H 15 8.269 8.184 0.085 1
1 170 . 20 1 1 A 15 15 GLU HA H 15 3.961 4.120 -0.159 1
1 175 . 20 1 1 A 15 15 GLU C C 15 178.438 178.830 -0.392 1
1 176 . 20 1 1 A 15 15 GLU CA C 15 58.383 58.955 -0.572 1
1 177 . 20 1 1 A 15 15 GLU CB C 15 28.994 29.175 -0.181 1
1 179 . 20 1 1 A 15 15 GLU N N 15 115.657 120.092 -4.435 1
1 180 . 20 1 1 A 16 16 ALA H H 16 8.500 8.010 0.490 1
1 181 . 20 1 1 A 16 16 ALA HA H 16 3.939 4.015 -0.076 1
1 185 . 20 1 1 A 16 16 ALA C C 16 179.330 180.066 -0.736 1
1 186 . 20 1 1 A 16 16 ALA CA C 16 55.401 55.137 0.264 1
1 187 . 20 1 1 A 16 16 ALA CB C 16 18.980 18.474 0.506 1
1 188 . 20 1 1 A 16 16 ALA N N 16 122.087 122.102 -0.015 1
1 189 . 20 1 1 A 17 17 ILE H H 17 8.598 8.846 -0.248 1
1 190 . 20 1 1 A 17 17 ILE HA H 17 3.334 3.894 -0.560 1
1 195 . 20 1 1 A 17 17 ILE C C 17 177.120 177.679 -0.559 1
1 196 . 20 1 1 A 17 17 ILE CA C 17 66.876 63.913 2.963 1
1 197 . 20 1 1 A 17 17 ILE CB C 17 37.817 37.504 0.313 1
1 200 . 20 1 1 A 17 17 ILE N N 17 117.395 118.889 -1.494 1
1 201 . 20 1 1 A 18 18 LYS H H 18 7.633 7.631 0.002 1
1 202 . 20 1 1 A 18 18 LYS HA H 18 3.748 3.996 -0.248 1
1 209 . 20 1 1 A 18 18 LYS C C 18 179.199 178.541 0.658 1
1 210 . 20 1 1 A 18 18 LYS CA C 18 60.001 58.877 1.124 1
1 211 . 20 1 1 A 18 18 LYS CB C 18 32.538 31.640 0.898 1
1 213 . 20 1 1 A 18 18 LYS N N 18 119.143 121.500 -2.357 1
1 214 . 20 1 1 A 19 19 GLU H H 19 8.192 7.690 0.502 1
1 215 . 20 1 1 A 19 19 GLU HA H 19 3.942 4.075 -0.133 1
1 220 . 20 1 1 A 19 19 GLU C C 19 179.813 178.750 1.063 1
1 221 . 20 1 1 A 19 19 GLU CA C 19 59.577 58.852 0.725 1
1 222 . 20 1 1 A 19 19 GLU CB C 19 29.756 29.585 0.171 1
1 224 . 20 1 1 A 19 19 GLU N N 19 118.201 119.590 -1.389 1
1 225 . 20 1 1 A 20 20 LEU H H 20 8.128 8.269 -0.141 1
1 226 . 20 1 1 A 20 20 LEU HA H 20 3.877 4.145 -0.268 1
1 233 . 20 1 1 A 20 20 LEU C C 20 178.906 178.836 0.070 1
1 234 . 20 1 1 A 20 20 LEU CA C 20 58.171 57.878 0.293 1
1 235 . 20 1 1 A 20 20 LEU CB C 20 41.496 41.790 -0.294 1
1 238 . 20 1 1 A 20 20 LEU N N 20 119.841 121.580 -1.739 1
1 239 . 20 1 1 A 21 21 VAL H H 21 9.063 8.601 0.462 1
1 240 . 20 1 1 A 21 21 VAL HA H 21 3.608 3.565 0.043 1
1 245 . 20 1 1 A 21 21 VAL C C 21 176.301 177.703 -1.402 1
1 246 . 20 1 1 A 21 21 VAL CA C 21 66.684 67.097 -0.413 1
1 247 . 20 1 1 A 21 21 VAL CB C 21 31.879 31.381 0.498 1
1 249 . 20 1 1 A 21 21 VAL N N 21 122.114 119.491 2.623 1
1 250 . 20 1 1 A 22 22 ASP H H 22 8.427 7.831 0.596 1
1 251 . 20 1 1 A 22 22 ASP HA H 22 4.276 4.558 -0.282 1
1 254 . 20 1 1 A 22 22 ASP C C 22 177.428 177.908 -0.480 1
1 255 . 20 1 1 A 22 22 ASP CA C 22 57.143 56.458 0.685 1
1 256 . 20 1 1 A 22 22 ASP CB C 22 40.015 41.246 -1.231 1
1 257 . 20 1 1 A 22 22 ASP N N 22 122.544 120.402 2.142 1
1 258 . 20 1 1 A 23 23 ALA H H 23 7.451 7.794 -0.343 1
1 259 . 20 1 1 A 23 23 ALA HA H 23 4.284 4.327 -0.043 1
1 263 . 20 1 1 A 23 23 ALA C C 23 177.647 177.808 -0.161 1
1 264 . 20 1 1 A 23 23 ALA CA C 23 52.140 52.167 -0.027 1
1 265 . 20 1 1 A 23 23 ALA CB C 23 19.094 19.722 -0.628 1
1 266 . 20 1 1 A 23 23 ALA N N 23 119.690 118.754 0.936 1
1 267 . 20 1 1 A 24 24 GLY H H 24 8.007 8.449 -0.442 1
1 268 . 20 1 1 A 24 24 GLY HA2 H 24 3.930 3.935 -0.005 1
1 269 . 20 1 1 A 24 24 GLY HA3 H 24 3.786 3.947 -0.161 1
1 270 . 20 1 1 A 24 24 GLY C C 24 174.852 173.734 1.118 1
1 271 . 20 1 1 A 24 24 GLY CA C 24 45.939 46.889 -0.950 1
1 272 . 20 1 1 A 24 24 GLY N N 24 107.876 107.057 0.819 1
1 273 . 20 1 1 A 25 25 ILE H H 25 7.628 7.874 -0.246 1
1 274 . 20 1 1 A 25 25 ILE HA H 25 3.880 4.771 -0.891 1
1 281 . 20 1 1 A 25 25 ILE C C 25 174.954 174.412 0.542 1
1 282 . 20 1 1 A 25 25 ILE CA C 25 58.787 59.445 -0.658 1
1 283 . 20 1 1 A 25 25 ILE CB C 25 36.014 40.408 -4.394 1
1 286 . 20 1 1 A 25 25 ILE N N 25 121.226 118.674 2.552 1
1 287 . 20 1 1 A 26 26 ALA H H 26 8.454 8.632 -0.178 1
1 288 . 20 1 1 A 26 26 ALA HA H 26 4.164 4.220 -0.056 1
1 292 . 20 1 1 A 26 26 ALA C C 26 178.921 178.209 0.712 1
1 293 . 20 1 1 A 26 26 ALA CA C 26 52.978 52.656 0.322 1
1 294 . 20 1 1 A 26 26 ALA CB C 26 19.648 19.236 0.412 1
1 295 . 20 1 1 A 26 26 ALA N N 26 127.062 125.248 1.814 1
1 296 . 20 1 1 A 27 27 GLU H H 27 8.652 8.661 -0.009 1
1 297 . 20 1 1 A 27 27 GLU HA H 27 3.728 4.107 -0.379 1
1 302 . 20 1 1 A 27 27 GLU C C 27 179.886 178.848 1.038 1
1 303 . 20 1 1 A 27 27 GLU CA C 27 59.830 59.323 0.507 1
1 304 . 20 1 1 A 27 27 GLU CB C 27 29.682 29.233 0.449 1
1 306 . 20 1 1 A 27 27 GLU N N 27 122.104 124.694 -2.590 1
1 307 . 20 1 1 A 28 28 LYS H H 28 8.315 8.280 0.035 1
1 308 . 20 1 1 A 28 28 LYS HA H 28 3.789 4.017 -0.228 1
1 315 . 20 1 1 A 28 28 LYS C C 28 177.179 178.327 -1.148 1
1 316 . 20 1 1 A 28 28 LYS CA C 28 58.673 59.484 -0.811 1
1 317 . 20 1 1 A 28 28 LYS CB C 28 31.279 32.175 -0.896 1
1 320 . 20 1 1 A 28 28 LYS N N 28 119.368 121.452 -2.084 1
1 321 . 20 1 1 A 29 29 TYR H H 29 7.372 8.031 -0.659 1
1 322 . 20 1 1 A 29 29 TYR HA H 29 4.448 4.254 0.194 1
1 329 . 20 1 1 A 29 29 TYR C C 29 177.413 178.274 -0.861 1
1 330 . 20 1 1 A 29 29 TYR CA C 29 59.246 61.068 -1.822 1
1 331 . 20 1 1 A 29 29 TYR CB C 29 38.528 37.543 0.985 1
1 336 . 20 1 1 A 29 29 TYR N N 29 116.907 118.590 -1.683 1
1 337 . 20 1 1 A 30 30 ILE H H 30 7.448 8.493 -1.045 1
1 338 . 20 1 1 A 30 30 ILE HA H 30 3.359 3.811 -0.452 1
1 345 . 20 1 1 A 30 30 ILE C C 30 177.662 177.919 -0.257 1
1 346 . 20 1 1 A 30 30 ILE CA C 30 65.541 63.642 1.899 1
1 347 . 20 1 1 A 30 30 ILE CB C 30 37.362 37.450 -0.088 1
1 350 . 20 1 1 A 30 30 ILE N N 30 120.953 120.689 0.264 1
1 351 . 20 1 1 A 31 31 LYS H H 31 7.835 8.004 -0.169 1
1 352 . 20 1 1 A 31 31 LYS HA H 31 3.831 4.062 -0.231 1
1 357 . 20 1 1 A 31 31 LYS C C 31 178.218 179.102 -0.884 1
1 358 . 20 1 1 A 31 31 LYS CA C 31 58.702 59.023 -0.321 1
1 359 . 20 1 1 A 31 31 LYS CB C 31 32.198 31.987 0.211 1
1 363 . 20 1 1 A 31 31 LYS N N 31 116.536 122.117 -5.581 1
1 364 . 20 1 1 A 32 32 LEU H H 32 7.335 7.756 -0.421 1
1 365 . 20 1 1 A 32 32 LEU HA H 32 3.905 3.932 -0.027 1
1 372 . 20 1 1 A 32 32 LEU C C 32 179.901 179.398 0.503 1
1 373 . 20 1 1 A 32 32 LEU CA C 32 57.366 57.853 -0.487 1
1 374 . 20 1 1 A 32 32 LEU CB C 32 41.550 41.425 0.125 1
1 377 . 20 1 1 A 32 32 LEU N N 32 117.191 118.832 -1.641 1
1 378 . 20 1 1 A 33 33 ILE H H 33 7.409 7.459 -0.050 1
1 379 . 20 1 1 A 33 33 ILE HA H 33 3.522 4.019 -0.497 1
1 389 . 20 1 1 A 33 33 ILE C C 33 177.354 178.206 -0.852 1
1 390 . 20 1 1 A 33 33 ILE CA C 33 62.128 63.572 -1.444 1
1 391 . 20 1 1 A 33 33 ILE CB C 33 35.578 37.935 -2.357 1
1 395 . 20 1 1 A 33 33 ILE N N 33 117.873 113.929 3.944 1
1 396 . 20 1 1 A 34 34 ALA H H 34 7.615 8.901 -1.286 1
1 397 . 20 1 1 A 34 34 ALA HA H 34 3.774 4.072 -0.298 1
1 401 . 20 1 1 A 34 34 ALA C C 34 178.789 179.887 -1.098 1
1 402 . 20 1 1 A 34 34 ALA CA C 34 54.717 54.840 -0.123 1
1 403 . 20 1 1 A 34 34 ALA CB C 34 18.384 18.468 -0.084 1
1 404 . 20 1 1 A 34 34 ALA N N 34 119.178 123.898 -4.720 1
1 405 . 20 1 1 A 35 35 ASN H H 35 7.354 8.083 -0.729 1
1 406 . 20 1 1 A 35 35 ASN HA H 35 4.572 4.695 -0.123 1
1 409 . 20 1 1 A 35 35 ASN C C 35 175.482 175.150 0.332 1
1 410 . 20 1 1 A 35 35 ASN CA C 35 52.835 53.212 -0.377 1
1 411 . 20 1 1 A 35 35 ASN CB C 35 39.178 39.100 0.078 1
1 412 . 20 1 1 A 35 35 ASN N N 35 113.033 116.865 -3.832 1
1 413 . 20 1 1 A 36 36 ALA H H 36 7.439 8.094 -0.655 1
1 414 . 20 1 1 A 36 36 ALA HA H 36 4.078 3.966 0.112 1
1 418 . 20 1 1 A 36 36 ALA C C 36 177.852 177.068 0.784 1
1 419 . 20 1 1 A 36 36 ALA CA C 36 53.179 54.055 -0.876 1
1 420 . 20 1 1 A 36 36 ALA CB C 36 19.460 17.950 1.510 1
1 421 . 20 1 1 A 36 36 ALA N N 36 123.843 120.813 3.030 1
1 422 . 20 1 1 A 37 37 LYS H H 37 8.739 8.834 -0.095 1
1 423 . 20 1 1 A 37 37 LYS HA H 37 4.238 4.339 -0.101 1
1 428 . 20 1 1 A 37 37 LYS C C 37 176.652 175.201 1.451 1
1 429 . 20 1 1 A 37 37 LYS CA C 37 56.659 57.984 -1.325 1
1 430 . 20 1 1 A 37 37 LYS CB C 37 34.979 32.426 2.553 1
1 434 . 20 1 1 A 37 37 LYS N N 37 117.112 119.101 -1.989 1
1 435 . 20 1 1 A 38 38 THR H H 38 7.340 7.531 -0.191 1
1 436 . 20 1 1 A 38 38 THR HA H 38 4.515 4.700 -0.185 1
1 440 . 20 1 1 A 38 38 THR C C 38 173.974 174.356 -0.382 1
1 441 . 20 1 1 A 38 38 THR CA C 38 58.511 59.778 -1.267 1
1 442 . 20 1 1 A 38 38 THR CB C 38 72.797 69.067 3.730 1
1 444 . 20 1 1 A 38 38 THR N N 38 106.407 109.863 -3.456 1
1 445 . 20 1 1 A 39 39 VAL H H 39 8.886 8.248 0.638 1
1 446 . 20 1 1 A 39 39 VAL HA H 39 2.956 3.844 -0.888 1
1 451 . 20 1 1 A 39 39 VAL C C 39 176.754 177.193 -0.439 1
1 452 . 20 1 1 A 39 39 VAL CA C 39 67.409 65.512 1.897 1
1 453 . 20 1 1 A 39 39 VAL CB C 39 30.821 31.941 -1.120 1
1 455 . 20 1 1 A 39 39 VAL N N 39 122.964 124.101 -1.137 1
1 456 . 20 1 1 A 40 40 GLU H H 40 8.839 8.685 0.154 1
1 457 . 20 1 1 A 40 40 GLU HA H 40 3.865 4.111 -0.246 1
1 462 . 20 1 1 A 40 40 GLU C C 40 179.345 179.964 -0.619 1
1 463 . 20 1 1 A 40 40 GLU CA C 40 60.003 59.552 0.451 1
1 464 . 20 1 1 A 40 40 GLU CB C 40 28.676 28.987 -0.311 1
1 466 . 20 1 1 A 40 40 GLU N N 40 117.880 120.692 -2.812 1
1 467 . 20 1 1 A 41 41 GLY H H 41 8.095 8.311 -0.216 1
1 468 . 20 1 1 A 41 41 GLY HA2 H 41 3.931 3.761 0.170 1
1 469 . 20 1 1 A 41 41 GLY HA3 H 41 3.730 3.785 -0.055 1
1 470 . 20 1 1 A 41 41 GLY C C 41 176.271 175.523 0.748 1
1 471 . 20 1 1 A 41 41 GLY CA C 41 46.388 47.615 -1.227 1
1 472 . 20 1 1 A 41 41 GLY N N 41 108.686 109.061 -0.375 1
1 473 . 20 1 1 A 42 42 VAL H H 42 7.772 9.108 -1.336 1
1 474 . 20 1 1 A 42 42 VAL HA H 42 3.087 3.790 -0.703 1
1 479 . 20 1 1 A 42 42 VAL C C 42 177.003 177.936 -0.933 1
1 480 . 20 1 1 A 42 42 VAL CA C 42 67.068 65.753 1.315 1
1 481 . 20 1 1 A 42 42 VAL CB C 42 30.987 31.614 -0.627 1
1 483 . 20 1 1 A 42 42 VAL N N 42 123.069 121.962 1.107 1
1 484 . 20 1 1 A 43 43 TRP H H 43 7.518 7.708 -0.190 1
1 485 . 20 1 1 A 43 43 TRP HA H 43 4.469 4.385 0.084 1
1 493 . 20 1 1 A 43 43 TRP C C 43 179.023 178.218 0.805 1
1 494 . 20 1 1 A 43 43 TRP CA C 43 59.134 60.469 -1.335 1
1 495 . 20 1 1 A 43 43 TRP CB C 43 29.437 29.437 0.000 1
1 500 . 20 1 1 A 43 43 TRP N N 43 118.322 121.427 -3.105 1
1 502 . 20 1 1 A 44 44 THR H H 44 8.408 8.295 0.113 1
1 503 . 20 1 1 A 44 44 THR HA H 44 3.971 3.993 -0.022 1
1 508 . 20 1 1 A 44 44 THR C C 44 177.047 176.384 0.663 1
1 509 . 20 1 1 A 44 44 THR CA C 44 66.396 66.746 -0.350 1
1 510 . 20 1 1 A 44 44 THR CB C 44 69.069 69.110 -0.041 1
1 512 . 20 1 1 A 44 44 THR N N 44 114.912 115.625 -0.713 1
1 513 . 20 1 1 A 45 45 LEU H H 45 7.862 9.556 -1.694 1
1 514 . 20 1 1 A 45 45 LEU HA H 45 3.584 3.972 -0.388 1
1 521 . 20 1 1 A 45 45 LEU C C 45 178.189 179.737 -1.548 1
1 522 . 20 1 1 A 45 45 LEU CA C 45 57.671 57.751 -0.080 1
1 523 . 20 1 1 A 45 45 LEU CB C 45 42.389 41.552 0.837 1
1 525 . 20 1 1 A 45 45 LEU N N 45 123.153 120.027 3.126 1
1 526 . 20 1 1 A 46 46 LYS H H 46 8.569 7.575 0.994 1
1 527 . 20 1 1 A 46 46 LYS HA H 46 3.587 4.026 -0.439 1
1 532 . 20 1 1 A 46 46 LYS C C 46 177.354 178.779 -1.425 1
1 533 . 20 1 1 A 46 46 LYS CA C 46 60.799 59.577 1.222 1
1 534 . 20 1 1 A 46 46 LYS CB C 46 30.790 31.966 -1.176 1
1 536 . 20 1 1 A 46 46 LYS N N 46 119.398 121.056 -1.658 1
1 537 . 20 1 1 A 47 47 ASP H H 47 7.694 7.904 -0.210 1
1 538 . 20 1 1 A 47 47 ASP HA H 47 4.325 4.194 0.131 1
1 541 . 20 1 1 A 47 47 ASP C C 47 179.023 178.472 0.551 1
1 542 . 20 1 1 A 47 47 ASP CA C 47 57.107 56.558 0.549 1
1 543 . 20 1 1 A 47 47 ASP CB C 47 40.292 40.322 -0.030 1
1 544 . 20 1 1 A 47 47 ASP N N 47 116.887 119.576 -2.689 1
1 545 . 20 1 1 A 48 48 GLU H H 48 7.931 8.430 -0.499 1
1 546 . 20 1 1 A 48 48 GLU HA H 48 3.773 4.046 -0.273 1
1 551 . 20 1 1 A 48 48 GLU C C 48 179.125 178.536 0.589 1
1 552 . 20 1 1 A 48 48 GLU CA C 48 59.422 58.706 0.716 1
1 553 . 20 1 1 A 48 48 GLU CB C 48 29.598 29.418 0.180 1
1 555 . 20 1 1 A 48 48 GLU N N 48 121.719 119.012 2.707 1
1 556 . 20 1 1 A 49 49 ILE H H 49 8.553 8.465 0.088 1
1 557 . 20 1 1 A 49 49 ILE HA H 49 3.424 3.163 0.261 1
1 565 . 20 1 1 A 49 49 ILE C C 49 178.262 176.991 1.271 1
1 566 . 20 1 1 A 49 49 ILE CA C 49 64.372 62.793 1.579 1
1 567 . 20 1 1 A 49 49 ILE CB C 49 38.278 37.071 1.207 1
1 571 . 20 1 1 A 49 49 ILE N N 49 120.672 120.039 0.633 1
1 572 . 20 1 1 A 50 50 LEU H H 50 7.831 7.457 0.374 1
1 573 . 20 1 1 A 50 50 LEU HA H 50 3.795 4.125 -0.330 1
1 580 . 20 1 1 A 50 50 LEU C C 50 178.247 178.800 -0.553 1
1 581 . 20 1 1 A 50 50 LEU CA C 50 57.039 57.422 -0.383 1
1 582 . 20 1 1 A 50 50 LEU CB C 50 41.815 41.972 -0.157 1
1 585 . 20 1 1 A 50 50 LEU N N 50 117.810 122.078 -4.268 1
1 586 . 20 1 1 A 51 51 THR H H 51 7.560 8.066 -0.506 1
1 587 . 20 1 1 A 51 51 THR HA H 51 4.066 4.037 0.029 1
1 592 . 20 1 1 A 51 51 THR C C 51 175.276 175.473 -0.197 1
1 593 . 20 1 1 A 51 51 THR CA C 51 63.281 65.350 -2.069 1
1 594 . 20 1 1 A 51 51 THR CB C 51 69.695 68.568 1.127 1
1 596 . 20 1 1 A 51 51 THR N N 51 110.196 115.221 -5.025 1
1 597 . 20 1 1 A 52 52 PHE H H 52 7.744 7.733 0.011 1
1 598 . 20 1 1 A 52 52 PHE HA H 52 4.484 4.497 -0.013 1
1 605 . 20 1 1 A 52 52 PHE C C 52 176.549 174.620 1.929 1
1 606 . 20 1 1 A 52 52 PHE CA C 52 57.742 57.332 0.410 1
1 607 . 20 1 1 A 52 52 PHE CB C 52 37.819 39.031 -1.212 1
1 612 . 20 1 1 A 52 52 PHE N N 52 120.944 118.242 2.702 1
1 613 . 20 1 1 A 53 53 THR H H 53 8.028 7.795 0.233 1
1 614 . 20 1 1 A 53 53 THR HA H 53 4.085 4.328 -0.243 1
1 619 . 20 1 1 A 53 53 THR C C 53 174.471 174.374 0.097 1
1 620 . 20 1 1 A 53 53 THR CA C 53 62.330 63.267 -0.937 1
1 621 . 20 1 1 A 53 53 THR CB C 53 69.725 71.173 -1.448 1
1 623 . 20 1 1 A 53 53 THR N N 53 113.551 111.153 2.398 1
1 624 . 20 1 1 A 54 54 VAL H H 54 7.827 7.978 -0.151 1
1 625 . 20 1 1 A 54 54 VAL HA H 54 4.047 3.863 0.184 1
1 630 . 20 1 1 A 54 54 VAL C C 54 176.067 175.154 0.913 1
1 631 . 20 1 1 A 54 54 VAL CA C 54 62.299 62.389 -0.090 1
1 632 . 20 1 1 A 54 54 VAL CB C 54 32.633 30.561 2.072 1
1 634 . 20 1 1 A 54 54 VAL N N 54 122.128 117.426 4.702 1
1 635 . 20 1 1 A 55 55 THR H H 55 8.233 8.473 -0.240 1
1 636 . 20 1 1 A 55 55 THR HA H 55 4.212 4.684 -0.472 1
1 640 . 20 1 1 A 55 55 THR C C 55 173.647 173.573 0.074 1
1 641 . 20 1 1 A 55 55 THR CA C 55 61.620 60.828 0.792 1
1 642 . 20 1 1 A 55 55 THR CB C 55 69.862 68.939 0.923 1
1 644 . 20 1 1 A 55 55 THR N N 55 118.471 121.175 -2.704 1
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Assigned_chem_shift_list_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Entity_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Entity_delta_chem_shifts_ID
1 1 1 1 "RMS(OBS, PRED)" C 54 1.070 1
2 1 1 1 "RMS(OBS, PRED)" CA 54 1.087 1
3 1 1 1 "RMS(OBS, PRED)" CB 52 1.402 1
4 1 1 1 "RMS(OBS, PRED)" H 54 0.545 1
5 1 1 1 "RMS(OBS, PRED)" HA 56 0.374 1
6 1 1 1 "RMS(OBS, PRED)" N 54 2.994 1
7 1 2 1 "RMS(OBS, PRED)" C 54 1.051 1
8 1 2 1 "RMS(OBS, PRED)" CA 54 1.052 1
9 1 2 1 "RMS(OBS, PRED)" CB 52 1.375 1
10 1 2 1 "RMS(OBS, PRED)" H 54 0.568 1
11 1 2 1 "RMS(OBS, PRED)" HA 56 0.361 1
12 1 2 1 "RMS(OBS, PRED)" N 54 3.608 1
13 1 3 1 "RMS(OBS, PRED)" C 54 1.014 1
14 1 3 1 "RMS(OBS, PRED)" CA 54 1.059 1
15 1 3 1 "RMS(OBS, PRED)" CB 52 1.363 1
16 1 3 1 "RMS(OBS, PRED)" H 54 0.579 1
17 1 3 1 "RMS(OBS, PRED)" HA 56 0.481 1
18 1 3 1 "RMS(OBS, PRED)" N 54 3.288 1
19 1 4 1 "RMS(OBS, PRED)" C 54 0.999 1
20 1 4 1 "RMS(OBS, PRED)" CA 54 1.262 1
21 1 4 1 "RMS(OBS, PRED)" CB 52 1.375 1
22 1 4 1 "RMS(OBS, PRED)" H 54 0.571 1
23 1 4 1 "RMS(OBS, PRED)" HA 56 0.383 1
24 1 4 1 "RMS(OBS, PRED)" N 54 3.475 1
25 1 5 1 "RMS(OBS, PRED)" C 54 1.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 54 1.192 1
27 1 5 1 "RMS(OBS, PRED)" CB 52 1.293 1
28 1 5 1 "RMS(OBS, PRED)" H 54 0.560 1
29 1 5 1 "RMS(OBS, PRED)" HA 56 0.356 1
30 1 5 1 "RMS(OBS, PRED)" N 54 3.431 1
31 1 6 1 "RMS(OBS, PRED)" C 54 1.059 1
32 1 6 1 "RMS(OBS, PRED)" CA 54 1.373 1
33 1 6 1 "RMS(OBS, PRED)" CB 52 1.299 1
34 1 6 1 "RMS(OBS, PRED)" H 54 0.594 1
35 1 6 1 "RMS(OBS, PRED)" HA 56 0.347 1
36 1 6 1 "RMS(OBS, PRED)" N 54 3.055 1
37 1 7 1 "RMS(OBS, PRED)" C 54 0.998 1
38 1 7 1 "RMS(OBS, PRED)" CA 54 1.159 1
39 1 7 1 "RMS(OBS, PRED)" CB 52 1.225 1
40 1 7 1 "RMS(OBS, PRED)" H 54 0.558 1
41 1 7 1 "RMS(OBS, PRED)" HA 56 0.323 1
42 1 7 1 "RMS(OBS, PRED)" N 54 3.726 1
43 1 8 1 "RMS(OBS, PRED)" C 54 1.008 1
44 1 8 1 "RMS(OBS, PRED)" CA 54 1.155 1
45 1 8 1 "RMS(OBS, PRED)" CB 52 1.379 1
46 1 8 1 "RMS(OBS, PRED)" H 54 0.570 1
47 1 8 1 "RMS(OBS, PRED)" HA 56 0.350 1
48 1 8 1 "RMS(OBS, PRED)" N 54 3.479 1
49 1 9 1 "RMS(OBS, PRED)" C 54 0.962 1
50 1 9 1 "RMS(OBS, PRED)" CA 54 1.060 1
51 1 9 1 "RMS(OBS, PRED)" CB 52 1.372 1
52 1 9 1 "RMS(OBS, PRED)" H 54 0.573 1
53 1 9 1 "RMS(OBS, PRED)" HA 56 0.334 1
54 1 9 1 "RMS(OBS, PRED)" N 54 3.380 1
55 1 10 1 "RMS(OBS, PRED)" C 54 1.053 1
56 1 10 1 "RMS(OBS, PRED)" CA 54 1.038 1
57 1 10 1 "RMS(OBS, PRED)" CB 52 1.587 1
58 1 10 1 "RMS(OBS, PRED)" H 54 0.572 1
59 1 10 1 "RMS(OBS, PRED)" HA 56 0.362 1
60 1 10 1 "RMS(OBS, PRED)" N 54 3.176 1
61 1 11 1 "RMS(OBS, PRED)" C 54 1.017 1
62 1 11 1 "RMS(OBS, PRED)" CA 54 1.195 1
63 1 11 1 "RMS(OBS, PRED)" CB 52 1.268 1
64 1 11 1 "RMS(OBS, PRED)" H 54 0.587 1
65 1 11 1 "RMS(OBS, PRED)" HA 56 0.370 1
66 1 11 1 "RMS(OBS, PRED)" N 54 3.092 1
67 1 12 1 "RMS(OBS, PRED)" C 54 1.014 1
68 1 12 1 "RMS(OBS, PRED)" CA 54 1.348 1
69 1 12 1 "RMS(OBS, PRED)" CB 52 1.342 1
70 1 12 1 "RMS(OBS, PRED)" H 54 0.624 1
71 1 12 1 "RMS(OBS, PRED)" HA 56 0.363 1
72 1 12 1 "RMS(OBS, PRED)" N 54 3.491 1
73 1 13 1 "RMS(OBS, PRED)" C 54 1.012 1
74 1 13 1 "RMS(OBS, PRED)" CA 54 1.219 1
75 1 13 1 "RMS(OBS, PRED)" CB 52 1.554 1
76 1 13 1 "RMS(OBS, PRED)" H 54 0.606 1
77 1 13 1 "RMS(OBS, PRED)" HA 56 0.348 1
78 1 13 1 "RMS(OBS, PRED)" N 54 3.564 1
79 1 14 1 "RMS(OBS, PRED)" C 54 0.949 1
80 1 14 1 "RMS(OBS, PRED)" CA 54 1.201 1
81 1 14 1 "RMS(OBS, PRED)" CB 52 1.268 1
82 1 14 1 "RMS(OBS, PRED)" H 54 0.594 1
83 1 14 1 "RMS(OBS, PRED)" HA 56 0.352 1
84 1 14 1 "RMS(OBS, PRED)" N 54 3.545 1
85 1 15 1 "RMS(OBS, PRED)" C 54 1.052 1
86 1 15 1 "RMS(OBS, PRED)" CA 54 1.219 1
87 1 15 1 "RMS(OBS, PRED)" CB 52 1.401 1
88 1 15 1 "RMS(OBS, PRED)" H 54 0.584 1
89 1 15 1 "RMS(OBS, PRED)" HA 56 0.541 1
90 1 15 1 "RMS(OBS, PRED)" N 54 3.714 1
91 1 16 1 "RMS(OBS, PRED)" C 54 1.028 1
92 1 16 1 "RMS(OBS, PRED)" CA 54 1.368 1
93 1 16 1 "RMS(OBS, PRED)" CB 52 1.343 1
94 1 16 1 "RMS(OBS, PRED)" H 54 0.592 1
95 1 16 1 "RMS(OBS, PRED)" HA 56 0.336 1
96 1 16 1 "RMS(OBS, PRED)" N 54 3.545 1
97 1 17 1 "RMS(OBS, PRED)" C 54 1.001 1
98 1 17 1 "RMS(OBS, PRED)" CA 54 0.995 1
99 1 17 1 "RMS(OBS, PRED)" CB 52 1.372 1
100 1 17 1 "RMS(OBS, PRED)" H 54 0.588 1
101 1 17 1 "RMS(OBS, PRED)" HA 56 0.365 1
102 1 17 1 "RMS(OBS, PRED)" N 54 3.244 1
103 1 18 1 "RMS(OBS, PRED)" C 54 1.081 1
104 1 18 1 "RMS(OBS, PRED)" CA 54 1.154 1
105 1 18 1 "RMS(OBS, PRED)" CB 52 1.432 1
106 1 18 1 "RMS(OBS, PRED)" H 54 0.596 1
107 1 18 1 "RMS(OBS, PRED)" HA 56 0.350 1
108 1 18 1 "RMS(OBS, PRED)" N 54 3.305 1
109 1 19 1 "RMS(OBS, PRED)" C 54 0.919 1
110 1 19 1 "RMS(OBS, PRED)" CA 54 1.266 1
111 1 19 1 "RMS(OBS, PRED)" CB 52 1.325 1
112 1 19 1 "RMS(OBS, PRED)" H 54 0.563 1
113 1 19 1 "RMS(OBS, PRED)" HA 56 0.497 1
114 1 19 1 "RMS(OBS, PRED)" N 54 3.620 1
115 1 20 1 "RMS(OBS, PRED)" C 54 0.963 1
116 1 20 1 "RMS(OBS, PRED)" CA 54 1.110 1
117 1 20 1 "RMS(OBS, PRED)" CB 52 1.319 1
118 1 20 1 "RMS(OBS, PRED)" H 54 0.515 1
119 1 20 1 "RMS(OBS, PRED)" HA 56 0.351 1
120 1 20 1 "RMS(OBS, PRED)" N 54 3.709 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 3 . 1 1 A 2 2 THR H H 2 7.970 8.197 -0.227 2
1 4 . 1 1 A 2 2 THR HA H 2 4.183 4.536 -0.353 2
1 9 . 1 1 A 2 2 THR C C 2 173.875 174.481 -0.606 2
1 10 . 1 1 A 2 2 THR CA C 2 61.768 61.719 0.049 2
1 11 . 1 1 A 2 2 THR CB C 2 69.631 70.565 -0.934 2
1 13 . 1 1 A 2 2 THR N N 2 128.423 114.061 14.362 2
1 14 . 1 1 A 3 3 TYR H H 3 8.247 8.284 -0.037 2
1 15 . 1 1 A 3 3 TYR HA H 3 4.271 4.394 -0.123 2
1 22 . 1 1 A 3 3 TYR C C 3 175.714 174.996 0.718 2
1 23 . 1 1 A 3 3 TYR CA C 3 58.145 58.678 -0.533 2
1 24 . 1 1 A 3 3 TYR CB C 3 38.753 37.901 0.852 2
1 27 . 1 1 A 3 3 TYR N N 3 123.871 121.257 2.614 2
1 28 . 1 1 A 4 4 LYS H H 4 8.009 7.666 0.343 2
1 29 . 1 1 A 4 4 LYS HA H 4 3.963 4.483 -0.520 2
1 36 . 1 1 A 4 4 LYS C C 4 175.979 175.343 0.636 2
1 37 . 1 1 A 4 4 LYS CA C 4 56.821 56.279 0.542 2
1 38 . 1 1 A 4 4 LYS CB C 4 32.981 32.995 -0.014 2
1 40 . 1 1 A 4 4 LYS N N 4 122.309 119.798 2.511 2
1 41 . 1 1 A 5 5 LEU H H 5 7.918 8.507 -0.589 2
1 42 . 1 1 A 5 5 LEU HA H 5 4.151 4.647 -0.496 2
1 49 . 1 1 A 5 5 LEU C C 5 176.945 176.135 0.810 2
1 50 . 1 1 A 5 5 LEU CA C 5 55.320 54.779 0.541 2
1 51 . 1 1 A 5 5 LEU CB C 5 42.054 43.657 -1.603 2
1 55 . 1 1 A 5 5 LEU N N 5 121.830 123.588 -1.758 2
1 56 . 1 1 A 6 6 ILE H H 6 7.974 8.365 -0.391 2
1 57 . 1 1 A 6 6 ILE HA H 6 3.959 4.278 -0.319 2
1 67 . 1 1 A 6 6 ILE C C 6 176.110 175.251 0.859 2
1 68 . 1 1 A 6 6 ILE CA C 6 61.287 61.426 -0.139 2
1 69 . 1 1 A 6 6 ILE CB C 6 38.228 38.578 -0.350 2
1 73 . 1 1 A 6 6 ILE N N 6 121.898 120.079 1.819 2
1 74 . 1 1 A 7 7 LEU H H 7 8.071 8.310 -0.239 2
1 75 . 1 1 A 7 7 LEU HA H 7 4.316 4.569 -0.253 2
1 82 . 1 1 A 7 7 LEU C C 7 176.915 176.179 0.736 2
1 83 . 1 1 A 7 7 LEU CA C 7 55.177 55.182 -0.005 2
1 84 . 1 1 A 7 7 LEU CB C 7 43.080 43.719 -0.639 2
1 86 . 1 1 A 7 7 LEU N N 7 125.296 123.608 1.688 2
1 87 . 1 1 A 8 8 ASN H H 8 8.021 8.473 -0.452 2
1 88 . 1 1 A 8 8 ASN HA H 8 4.570 4.962 -0.392 2
1 91 . 1 1 A 8 8 ASN C C 8 175.203 175.558 -0.354 2
1 92 . 1 1 A 8 8 ASN CA C 8 52.320 53.062 -0.742 2
1 93 . 1 1 A 8 8 ASN CB C 8 39.229 39.015 0.214 2
1 94 . 1 1 A 8 8 ASN N N 8 117.805 118.692 -0.887 2
1 95 . 1 1 A 9 9 LEU H H 9 8.385 7.971 0.414 2
1 96 . 1 1 A 9 9 LEU HA H 9 3.718 4.104 -0.386 2
1 106 . 1 1 A 9 9 LEU C C 9 177.150 178.556 -1.406 2
1 107 . 1 1 A 9 9 LEU CA C 9 58.501 57.849 0.652 2
1 108 . 1 1 A 9 9 LEU CB C 9 42.085 41.674 0.411 2
1 111 . 1 1 A 9 9 LEU N N 9 122.110 121.770 0.340 2
1 112 . 1 1 A 10 10 LYS H H 10 8.027 8.159 -0.132 2
1 113 . 1 1 A 10 10 LYS HA H 10 3.824 3.897 -0.073 2
1 118 . 1 1 A 10 10 LYS C C 10 178.555 178.741 -0.186 2
1 119 . 1 1 A 10 10 LYS CA C 10 59.893 59.846 0.047 2
1 120 . 1 1 A 10 10 LYS CB C 10 32.143 32.231 -0.088 2
1 123 . 1 1 A 10 10 LYS N N 10 118.739 119.001 -0.262 2
1 124 . 1 1 A 11 11 GLN H H 11 7.574 7.964 -0.390 2
1 125 . 1 1 A 11 11 GLN HA H 11 3.984 4.167 -0.183 2
1 130 . 1 1 A 11 11 GLN C C 11 175.218 178.230 -3.012 2
1 131 . 1 1 A 11 11 GLN CA C 11 59.252 58.535 0.717 2
1 132 . 1 1 A 11 11 GLN CB C 11 29.579 28.664 0.915 2
1 134 . 1 1 A 11 11 GLN N N 11 117.396 118.586 -1.190 2
1 135 . 1 1 A 12 12 ALA H H 12 8.432 8.205 0.227 2
1 136 . 1 1 A 12 12 ALA HA H 12 4.001 4.150 -0.149 2
1 140 . 1 1 A 12 12 ALA C C 12 179.374 180.175 -0.802 2
1 141 . 1 1 A 12 12 ALA CA C 12 55.373 55.060 0.313 2
1 142 . 1 1 A 12 12 ALA CB C 12 18.214 18.490 -0.276 2
1 143 . 1 1 A 12 12 ALA N N 12 122.547 122.695 -0.148 2
1 144 . 1 1 A 13 13 LYS H H 13 8.276 8.098 0.178 2
1 145 . 1 1 A 13 13 LYS HA H 13 3.404 4.129 -0.725 2
1 152 . 1 1 A 13 13 LYS C C 13 178.467 178.981 -0.514 2
1 153 . 1 1 A 13 13 LYS CA C 13 60.801 59.059 1.742 2
1 154 . 1 1 A 13 13 LYS CB C 13 33.111 32.279 0.832 2
1 157 . 1 1 A 13 13 LYS N N 13 116.459 117.427 -0.968 2
1 158 . 1 1 A 14 14 GLU H H 14 7.840 7.985 -0.145 2
1 159 . 1 1 A 14 14 GLU HA H 14 3.755 4.038 -0.283 2
1 164 . 1 1 A 14 14 GLU C C 14 177.720 178.761 -1.041 2
1 165 . 1 1 A 14 14 GLU CA C 14 59.737 59.534 0.203 2
1 166 . 1 1 A 14 14 GLU CB C 14 29.453 29.252 0.201 2
1 168 . 1 1 A 14 14 GLU N N 14 116.581 119.856 -3.275 2
1 169 . 1 1 A 15 15 GLU H H 15 8.269 8.479 -0.210 2
1 170 . 1 1 A 15 15 GLU HA H 15 3.961 4.071 -0.110 2
1 175 . 1 1 A 15 15 GLU C C 15 178.438 178.742 -0.304 2
1 176 . 1 1 A 15 15 GLU CA C 15 58.383 59.166 -0.783 2
1 177 . 1 1 A 15 15 GLU CB C 15 28.994 29.187 -0.193 2
1 179 . 1 1 A 15 15 GLU N N 15 115.657 119.983 -4.326 2
1 180 . 1 1 A 16 16 ALA H H 16 8.500 7.733 0.767 2
1 181 . 1 1 A 16 16 ALA HA H 16 3.939 4.043 -0.104 2
1 185 . 1 1 A 16 16 ALA C C 16 179.330 180.029 -0.699 2
1 186 . 1 1 A 16 16 ALA CA C 16 55.401 55.023 0.378 2
1 187 . 1 1 A 16 16 ALA CB C 16 18.980 18.398 0.582 2
1 188 . 1 1 A 16 16 ALA N N 16 122.087 121.883 0.204 2
1 189 . 1 1 A 17 17 ILE H H 17 8.598 8.568 0.030 2
1 190 . 1 1 A 17 17 ILE HA H 17 3.334 3.727 -0.393 2
1 195 . 1 1 A 17 17 ILE C C 17 177.120 177.963 -0.843 2
1 196 . 1 1 A 17 17 ILE CA C 17 66.876 64.845 2.031 2
1 197 . 1 1 A 17 17 ILE CB C 17 37.817 37.770 0.047 2
1 200 . 1 1 A 17 17 ILE N N 17 117.395 119.010 -1.615 2
1 201 . 1 1 A 18 18 LYS H H 18 7.633 7.703 -0.070 2
1 202 . 1 1 A 18 18 LYS HA H 18 3.748 3.983 -0.235 2
1 209 . 1 1 A 18 18 LYS C C 18 179.199 179.261 -0.062 2
1 210 . 1 1 A 18 18 LYS CA C 18 60.001 59.594 0.407 2
1 211 . 1 1 A 18 18 LYS CB C 18 32.538 32.049 0.489 2
1 213 . 1 1 A 18 18 LYS N N 18 119.143 120.472 -1.329 2
1 214 . 1 1 A 19 19 GLU H H 19 8.192 7.839 0.353 2
1 215 . 1 1 A 19 19 GLU HA H 19 3.942 4.079 -0.137 2
1 220 . 1 1 A 19 19 GLU C C 19 179.813 178.861 0.952 2
1 221 . 1 1 A 19 19 GLU CA C 19 59.577 59.030 0.547 2
1 222 . 1 1 A 19 19 GLU CB C 19 29.756 29.470 0.286 2
1 224 . 1 1 A 19 19 GLU N N 19 118.201 119.880 -1.679 2
1 225 . 1 1 A 20 20 LEU H H 20 8.128 7.969 0.159 2
1 226 . 1 1 A 20 20 LEU HA H 20 3.877 4.150 -0.273 2
1 233 . 1 1 A 20 20 LEU C C 20 178.906 178.858 0.048 2
1 234 . 1 1 A 20 20 LEU CA C 20 58.171 57.768 0.403 2
1 235 . 1 1 A 20 20 LEU CB C 20 41.496 41.806 -0.310 2
1 238 . 1 1 A 20 20 LEU N N 20 119.841 121.574 -1.733 2
1 239 . 1 1 A 21 21 VAL H H 21 9.063 8.500 0.563 2
1 240 . 1 1 A 21 21 VAL HA H 21 3.608 3.561 0.047 2
1 245 . 1 1 A 21 21 VAL C C 21 176.301 177.681 -1.380 2
1 246 . 1 1 A 21 21 VAL CA C 21 66.684 67.126 -0.442 2
1 247 . 1 1 A 21 21 VAL CB C 21 31.879 31.355 0.524 2
1 249 . 1 1 A 21 21 VAL N N 21 122.114 119.464 2.650 2
1 250 . 1 1 A 22 22 ASP H H 22 8.427 7.948 0.479 2
1 251 . 1 1 A 22 22 ASP HA H 22 4.276 4.506 -0.230 2
1 254 . 1 1 A 22 22 ASP C C 22 177.428 178.111 -0.683 2
1 255 . 1 1 A 22 22 ASP CA C 22 57.143 56.610 0.533 2
1 256 . 1 1 A 22 22 ASP CB C 22 40.015 41.169 -1.154 2
1 257 . 1 1 A 22 22 ASP N N 22 122.544 120.609 1.935 2
1 258 . 1 1 A 23 23 ALA H H 23 7.451 7.797 -0.346 2
1 259 . 1 1 A 23 23 ALA HA H 23 4.284 4.299 -0.015 2
1 263 . 1 1 A 23 23 ALA C C 23 177.647 177.833 -0.186 2
1 264 . 1 1 A 23 23 ALA CA C 23 52.140 52.194 -0.054 2
1 265 . 1 1 A 23 23 ALA CB C 23 19.094 19.664 -0.570 2
1 266 . 1 1 A 23 23 ALA N N 23 119.690 118.881 0.809 2
1 267 . 1 1 A 24 24 GLY H H 24 8.007 8.411 -0.404 2
1 268 . 1 1 A 24 24 GLY HA2 H 24 3.930 3.910 0.020 2
1 269 . 1 1 A 24 24 GLY HA3 H 24 3.786 3.925 -0.139 2
1 270 . 1 1 A 24 24 GLY C C 24 174.852 173.676 1.176 2
1 271 . 1 1 A 24 24 GLY CA C 24 45.939 46.809 -0.870 2
1 272 . 1 1 A 24 24 GLY N N 24 107.876 107.148 0.728 2
1 273 . 1 1 A 25 25 ILE H H 25 7.628 7.883 -0.256 2
1 274 . 1 1 A 25 25 ILE HA H 25 3.880 4.727 -0.847 2
1 281 . 1 1 A 25 25 ILE C C 25 174.954 174.562 0.392 2
1 282 . 1 1 A 25 25 ILE CA C 25 58.787 59.723 -0.936 2
1 283 . 1 1 A 25 25 ILE CB C 25 36.014 40.393 -4.379 2
1 286 . 1 1 A 25 25 ILE N N 25 121.226 119.034 2.192 2
1 287 . 1 1 A 26 26 ALA H H 26 8.454 8.680 -0.226 2
1 288 . 1 1 A 26 26 ALA HA H 26 4.164 4.187 -0.023 2
1 292 . 1 1 A 26 26 ALA C C 26 178.921 178.488 0.433 2
1 293 . 1 1 A 26 26 ALA CA C 26 52.978 52.761 0.217 2
1 294 . 1 1 A 26 26 ALA CB C 26 19.648 19.108 0.540 2
1 295 . 1 1 A 26 26 ALA N N 26 127.062 125.628 1.434 2
1 296 . 1 1 A 27 27 GLU H H 27 8.652 8.689 -0.037 2
1 297 . 1 1 A 27 27 GLU HA H 27 3.728 4.057 -0.329 2
1 302 . 1 1 A 27 27 GLU C C 27 179.886 178.604 1.282 2
1 303 . 1 1 A 27 27 GLU CA C 27 59.830 59.385 0.445 2
1 304 . 1 1 A 27 27 GLU CB C 27 29.682 29.187 0.495 2
1 306 . 1 1 A 27 27 GLU N N 27 122.104 124.767 -2.663 2
1 307 . 1 1 A 28 28 LYS H H 28 8.315 8.133 0.182 2
1 308 . 1 1 A 28 28 LYS HA H 28 3.789 4.000 -0.211 2
1 315 . 1 1 A 28 28 LYS C C 28 177.179 178.649 -1.470 2
1 316 . 1 1 A 28 28 LYS CA C 28 58.673 59.367 -0.694 2
1 317 . 1 1 A 28 28 LYS CB C 28 31.279 32.135 -0.856 2
1 320 . 1 1 A 28 28 LYS N N 28 119.368 120.368 -1.000 2
1 321 . 1 1 A 29 29 TYR H H 29 7.372 8.010 -0.638 2
1 322 . 1 1 A 29 29 TYR HA H 29 4.448 4.292 0.156 2
1 329 . 1 1 A 29 29 TYR C C 29 177.413 178.471 -1.058 2
1 330 . 1 1 A 29 29 TYR CA C 29 59.246 60.967 -1.721 2
1 331 . 1 1 A 29 29 TYR CB C 29 38.528 37.604 0.924 2
1 336 . 1 1 A 29 29 TYR N N 29 116.907 118.916 -2.009 2
1 337 . 1 1 A 30 30 ILE H H 30 7.448 8.562 -1.114 2
1 338 . 1 1 A 30 30 ILE HA H 30 3.359 3.854 -0.495 2
1 345 . 1 1 A 30 30 ILE C C 30 177.662 177.876 -0.214 2
1 346 . 1 1 A 30 30 ILE CA C 30 65.541 63.807 1.734 2
1 347 . 1 1 A 30 30 ILE CB C 30 37.362 37.583 -0.221 2
1 350 . 1 1 A 30 30 ILE N N 30 120.953 120.756 0.197 2
1 351 . 1 1 A 31 31 LYS H H 31 7.835 8.149 -0.314 2
1 352 . 1 1 A 31 31 LYS HA H 31 3.831 4.064 -0.233 2
1 357 . 1 1 A 31 31 LYS C C 31 178.218 179.167 -0.949 2
1 358 . 1 1 A 31 31 LYS CA C 31 58.702 59.058 -0.356 2
1 359 . 1 1 A 31 31 LYS CB C 31 32.198 31.943 0.255 2
1 363 . 1 1 A 31 31 LYS N N 31 116.536 122.268 -5.732 2
1 364 . 1 1 A 32 32 LEU H H 32 7.335 7.747 -0.412 2
1 365 . 1 1 A 32 32 LEU HA H 32 3.905 3.940 -0.035 2
1 372 . 1 1 A 32 32 LEU C C 32 179.901 179.313 0.588 2
1 373 . 1 1 A 32 32 LEU CA C 32 57.366 57.889 -0.523 2
1 374 . 1 1 A 32 32 LEU CB C 32 41.550 41.361 0.189 2
1 377 . 1 1 A 32 32 LEU N N 32 117.191 118.793 -1.602 2
1 378 . 1 1 A 33 33 ILE H H 33 7.409 7.450 -0.041 2
1 379 . 1 1 A 33 33 ILE HA H 33 3.522 4.014 -0.492 2
1 389 . 1 1 A 33 33 ILE C C 33 177.354 178.219 -0.865 2
1 390 . 1 1 A 33 33 ILE CA C 33 62.128 63.541 -1.413 2
1 391 . 1 1 A 33 33 ILE CB C 33 35.578 37.942 -2.364 2
1 395 . 1 1 A 33 33 ILE N N 33 117.873 114.483 3.390 2
1 396 . 1 1 A 34 34 ALA H H 34 7.615 8.956 -1.341 2
1 397 . 1 1 A 34 34 ALA HA H 34 3.774 4.049 -0.275 2
1 401 . 1 1 A 34 34 ALA C C 34 178.789 180.016 -1.227 2
1 402 . 1 1 A 34 34 ALA CA C 34 54.717 54.822 -0.105 2
1 403 . 1 1 A 34 34 ALA CB C 34 18.384 18.389 -0.005 2
1 404 . 1 1 A 34 34 ALA N N 34 119.178 124.092 -4.914 2
1 405 . 1 1 A 35 35 ASN H H 35 7.354 8.077 -0.723 2
1 406 . 1 1 A 35 35 ASN HA H 35 4.572 4.672 -0.100 2
1 409 . 1 1 A 35 35 ASN C C 35 175.482 175.130 0.352 2
1 410 . 1 1 A 35 35 ASN CA C 35 52.835 53.745 -0.910 2
1 411 . 1 1 A 35 35 ASN CB C 35 39.178 39.039 0.139 2
1 412 . 1 1 A 35 35 ASN N N 35 113.033 116.959 -3.926 2
1 413 . 1 1 A 36 36 ALA H H 36 7.439 8.031 -0.592 2
1 414 . 1 1 A 36 36 ALA HA H 36 4.078 3.965 0.113 2
1 418 . 1 1 A 36 36 ALA C C 36 177.852 177.080 0.772 2
1 419 . 1 1 A 36 36 ALA CA C 36 53.179 54.100 -0.921 2
1 420 . 1 1 A 36 36 ALA CB C 36 19.460 17.970 1.490 2
1 421 . 1 1 A 36 36 ALA N N 36 123.843 120.888 2.955 2
1 422 . 1 1 A 37 37 LYS H H 37 8.739 8.785 -0.046 2
1 423 . 1 1 A 37 37 LYS HA H 37 4.238 4.275 -0.037 2
1 428 . 1 1 A 37 37 LYS C C 37 176.652 175.333 1.319 2
1 429 . 1 1 A 37 37 LYS CA C 37 56.659 57.913 -1.254 2
1 430 . 1 1 A 37 37 LYS CB C 37 34.979 32.188 2.791 2
1 434 . 1 1 A 37 37 LYS N N 37 117.112 118.568 -1.456 2
1 435 . 1 1 A 38 38 THR H H 38 7.340 7.647 -0.307 2
1 436 . 1 1 A 38 38 THR HA H 38 4.515 4.666 -0.151 2
1 440 . 1 1 A 38 38 THR C C 38 173.974 174.656 -0.682 2
1 441 . 1 1 A 38 38 THR CA C 38 58.511 60.299 -1.788 2
1 442 . 1 1 A 38 38 THR CB C 38 72.797 69.069 3.728 2
1 444 . 1 1 A 38 38 THR N N 38 106.407 111.497 -5.090 2
1 445 . 1 1 A 39 39 VAL H H 39 8.886 8.219 0.667 2
1 446 . 1 1 A 39 39 VAL HA H 39 2.956 3.845 -0.889 2
1 451 . 1 1 A 39 39 VAL C C 39 176.754 177.101 -0.347 2
1 452 . 1 1 A 39 39 VAL CA C 39 67.409 65.441 1.968 2
1 453 . 1 1 A 39 39 VAL CB C 39 30.821 31.927 -1.106 2
1 455 . 1 1 A 39 39 VAL N N 39 122.964 124.867 -1.903 2
1 456 . 1 1 A 40 40 GLU H H 40 8.839 8.539 0.300 2
1 457 . 1 1 A 40 40 GLU HA H 40 3.865 3.718 0.147 2
1 462 . 1 1 A 40 40 GLU C C 40 179.345 179.743 -0.398 2
1 463 . 1 1 A 40 40 GLU CA C 40 60.003 59.321 0.682 2
1 464 . 1 1 A 40 40 GLU CB C 40 28.676 28.993 -0.317 2
1 466 . 1 1 A 40 40 GLU N N 40 117.880 120.637 -2.757 2
1 467 . 1 1 A 41 41 GLY H H 41 8.095 8.243 -0.148 2
1 468 . 1 1 A 41 41 GLY HA2 H 41 3.931 3.659 0.272 2
1 469 . 1 1 A 41 41 GLY HA3 H 41 3.730 3.699 0.031 2
1 470 . 1 1 A 41 41 GLY C C 41 176.271 175.602 0.669 2
1 471 . 1 1 A 41 41 GLY CA C 41 46.388 47.486 -1.098 2
1 472 . 1 1 A 41 41 GLY N N 41 108.686 109.037 -0.351 2
1 473 . 1 1 A 42 42 VAL H H 42 7.772 9.054 -1.282 2
1 474 . 1 1 A 42 42 VAL HA H 42 3.087 3.763 -0.676 2
1 479 . 1 1 A 42 42 VAL C C 42 177.003 178.018 -1.015 2
1 480 . 1 1 A 42 42 VAL CA C 42 67.068 65.713 1.355 2
1 481 . 1 1 A 42 42 VAL CB C 42 30.987 31.599 -0.612 2
1 483 . 1 1 A 42 42 VAL N N 42 123.069 121.879 1.190 2
1 484 . 1 1 A 43 43 TRP H H 43 7.518 7.654 -0.136 2
1 485 . 1 1 A 43 43 TRP HA H 43 4.469 4.426 0.043 2
1 493 . 1 1 A 43 43 TRP C C 43 179.023 178.463 0.560 2
1 494 . 1 1 A 43 43 TRP CA C 43 59.134 60.057 -0.923 2
1 495 . 1 1 A 43 43 TRP CB C 43 29.437 29.218 0.219 2
1 500 . 1 1 A 43 43 TRP N N 43 118.322 121.079 -2.757 2
1 502 . 1 1 A 44 44 THR H H 44 8.408 8.132 0.276 2
1 503 . 1 1 A 44 44 THR HA H 44 3.971 4.114 -0.143 2
1 508 . 1 1 A 44 44 THR C C 44 177.047 176.505 0.542 2
1 509 . 1 1 A 44 44 THR CA C 44 66.396 66.966 -0.570 2
1 510 . 1 1 A 44 44 THR CB C 44 69.069 68.704 0.365 2
1 512 . 1 1 A 44 44 THR N N 44 114.912 115.808 -0.896 2
1 513 . 1 1 A 45 45 LEU H H 45 7.862 9.725 -1.863 2
1 514 . 1 1 A 45 45 LEU HA H 45 3.584 3.989 -0.405 2
1 521 . 1 1 A 45 45 LEU C C 45 178.189 179.650 -1.461 2
1 522 . 1 1 A 45 45 LEU CA C 45 57.671 57.812 -0.141 2
1 523 . 1 1 A 45 45 LEU CB C 45 42.389 41.256 1.133 2
1 525 . 1 1 A 45 45 LEU N N 45 123.153 120.743 2.410 2
1 526 . 1 1 A 46 46 LYS H H 46 8.569 7.573 0.996 2
1 527 . 1 1 A 46 46 LYS HA H 46 3.587 4.068 -0.481 2
1 532 . 1 1 A 46 46 LYS C C 46 177.354 178.787 -1.433 2
1 533 . 1 1 A 46 46 LYS CA C 46 60.799 59.656 1.143 2
1 534 . 1 1 A 46 46 LYS CB C 46 30.790 32.044 -1.254 2
1 536 . 1 1 A 46 46 LYS N N 46 119.398 121.029 -1.631 2
1 537 . 1 1 A 47 47 ASP H H 47 7.694 8.079 -0.386 2
1 538 . 1 1 A 47 47 ASP HA H 47 4.325 4.296 0.029 2
1 541 . 1 1 A 47 47 ASP C C 47 179.023 178.670 0.353 2
1 542 . 1 1 A 47 47 ASP CA C 47 57.107 56.845 0.262 2
1 543 . 1 1 A 47 47 ASP CB C 47 40.292 40.639 -0.347 2
1 544 . 1 1 A 47 47 ASP N N 47 116.887 119.454 -2.567 2
1 545 . 1 1 A 48 48 GLU H H 48 7.931 8.108 -0.177 2
1 546 . 1 1 A 48 48 GLU HA H 48 3.773 4.083 -0.310 2
1 551 . 1 1 A 48 48 GLU C C 48 179.125 178.476 0.649 2
1 552 . 1 1 A 48 48 GLU CA C 48 59.422 58.689 0.733 2
1 553 . 1 1 A 48 48 GLU CB C 48 29.598 29.506 0.092 2
1 555 . 1 1 A 48 48 GLU N N 48 121.719 119.006 2.713 2
1 556 . 1 1 A 49 49 ILE H H 49 8.553 8.684 -0.131 2
1 557 . 1 1 A 49 49 ILE HA H 49 3.424 3.398 0.026 2
1 565 . 1 1 A 49 49 ILE C C 49 178.262 177.109 1.153 2
1 566 . 1 1 A 49 49 ILE CA C 49 64.372 62.752 1.620 2
1 567 . 1 1 A 49 49 ILE CB C 49 38.278 37.251 1.027 2
1 571 . 1 1 A 49 49 ILE N N 49 120.672 120.232 0.440 2
1 572 . 1 1 A 50 50 LEU H H 50 7.831 7.509 0.322 2
1 573 . 1 1 A 50 50 LEU HA H 50 3.795 4.153 -0.358 2
1 580 . 1 1 A 50 50 LEU C C 50 178.247 178.936 -0.689 2
1 581 . 1 1 A 50 50 LEU CA C 50 57.039 57.380 -0.341 2
1 582 . 1 1 A 50 50 LEU CB C 50 41.815 42.053 -0.238 2
1 585 . 1 1 A 50 50 LEU N N 50 117.810 122.209 -4.399 2
1 586 . 1 1 A 51 51 THR H H 51 7.560 8.025 -0.465 2
1 587 . 1 1 A 51 51 THR HA H 51 4.066 3.979 0.087 2
1 592 . 1 1 A 51 51 THR C C 51 175.276 175.592 -0.316 2
1 593 . 1 1 A 51 51 THR CA C 51 63.281 66.057 -2.776 2
1 594 . 1 1 A 51 51 THR CB C 51 69.695 68.489 1.206 2
1 596 . 1 1 A 51 51 THR N N 51 110.196 115.336 -5.140 2
1 597 . 1 1 A 52 52 PHE H H 52 7.744 7.770 -0.026 2
1 598 . 1 1 A 52 52 PHE HA H 52 4.484 4.489 -0.005 2
1 605 . 1 1 A 52 52 PHE C C 52 176.549 175.175 1.374 2
1 606 . 1 1 A 52 52 PHE CA C 52 57.742 57.529 0.213 2
1 607 . 1 1 A 52 52 PHE CB C 52 37.819 38.724 -0.905 2
1 612 . 1 1 A 52 52 PHE N N 52 120.944 118.904 2.040 2
1 613 . 1 1 A 53 53 THR H H 53 8.028 7.823 0.205 2
1 614 . 1 1 A 53 53 THR HA H 53 4.085 4.334 -0.249 2
1 619 . 1 1 A 53 53 THR C C 53 174.471 173.723 0.748 2
1 620 . 1 1 A 53 53 THR CA C 53 62.330 62.051 0.279 2
1 621 . 1 1 A 53 53 THR CB C 53 69.725 70.056 -0.331 2
1 623 . 1 1 A 53 53 THR N N 53 113.551 113.249 0.302 2
1 624 . 1 1 A 54 54 VAL H H 54 7.827 7.969 -0.142 2
1 625 . 1 1 A 54 54 VAL HA H 54 4.047 4.208 -0.161 2
1 630 . 1 1 A 54 54 VAL C C 54 176.067 175.493 0.574 2
1 631 . 1 1 A 54 54 VAL CA C 54 62.299 62.420 -0.121 2
1 632 . 1 1 A 54 54 VAL CB C 54 32.633 32.474 0.159 2
1 634 . 1 1 A 54 54 VAL N N 54 122.128 121.255 0.873 2
1 635 . 1 1 A 55 55 THR H H 55 8.233 8.452 -0.219 2
1 636 . 1 1 A 55 55 THR HA H 55 4.212 4.358 -0.146 2
1 640 . 1 1 A 55 55 THR C C 55 173.647 174.196 -0.549 2
1 641 . 1 1 A 55 55 THR CA C 55 61.620 62.858 -1.238 2
1 642 . 1 1 A 55 55 THR CB C 55 69.862 69.004 0.858 2
1 644 . 1 1 A 55 55 THR N N 55 118.471 117.632 0.839 2
stop_
save_