data_15659_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15659
_Entry.PDB_ID 2K0Y
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 2 2 ALA HA H 2 4.297 4.073 0.224 1
1 5 . 1 1 1 A 2 2 ALA C C 2 173.708 178.158 -4.450 1
1 6 . 1 1 1 A 2 2 ALA CA C 2 51.945 55.345 -3.400 1
1 7 . 1 1 1 A 2 2 ALA CB C 2 19.979 18.425 1.554 1
1 8 . 1 1 1 A 3 3 THR H H 3 8.680 7.599 1.081 1
1 9 . 1 1 1 A 3 3 THR HA H 3 4.411 4.425 -0.014 1
1 14 . 1 1 1 A 3 3 THR C C 3 172.914 173.777 -0.863 1
1 15 . 1 1 1 A 3 3 THR CA C 3 62.665 61.424 1.241 1
1 16 . 1 1 1 A 3 3 THR CB C 3 69.902 69.405 0.497 1
1 18 . 1 1 1 A 3 3 THR N N 3 117.458 109.453 8.005 1
1 19 . 1 1 1 A 4 4 LEU H H 4 8.145 8.339 -0.194 1
1 20 . 1 1 1 A 4 4 LEU HA H 4 4.384 4.706 -0.322 1
1 30 . 1 1 1 A 4 4 LEU C C 4 177.176 174.341 2.835 1
1 31 . 1 1 1 A 4 4 LEU CA C 4 54.765 53.801 0.964 1
1 32 . 1 1 1 A 4 4 LEU CB C 4 42.790 46.039 -3.249 1
1 36 . 1 1 1 A 4 4 LEU N N 4 124.380 125.834 -1.454 1
1 37 . 1 1 1 A 5 5 LEU H H 5 9.419 8.876 0.543 1
1 38 . 1 1 1 A 5 5 LEU HA H 5 4.536 5.294 -0.758 1
1 48 . 1 1 1 A 5 5 LEU C C 5 177.849 176.507 1.342 1
1 49 . 1 1 1 A 5 5 LEU CA C 5 55.488 53.100 2.388 1
1 50 . 1 1 1 A 5 5 LEU CB C 5 42.700 44.141 -1.441 1
1 54 . 1 1 1 A 5 5 LEU N N 5 124.415 125.423 -1.008 1
1 55 . 1 1 1 A 6 6 THR H H 6 8.995 9.090 -0.095 1
1 56 . 1 1 1 A 6 6 THR HA H 6 4.783 4.802 -0.019 1
1 61 . 1 1 1 A 6 6 THR C C 6 175.943 176.249 -0.306 1
1 62 . 1 1 1 A 6 6 THR CA C 6 59.961 59.938 0.023 1
1 63 . 1 1 1 A 6 6 THR CB C 6 72.429 70.996 1.433 1
1 65 . 1 1 1 A 6 6 THR N N 6 114.757 115.330 -0.573 1
1 66 . 1 1 1 A 7 7 THR H H 7 8.851 8.957 -0.106 1
1 67 . 1 1 1 A 7 7 THR HA H 7 3.881 3.906 -0.025 1
1 72 . 1 1 1 A 7 7 THR C C 7 176.566 175.852 0.714 1
1 73 . 1 1 1 A 7 7 THR CA C 7 67.277 67.008 0.269 1
1 74 . 1 1 1 A 7 7 THR CB C 7 68.542 68.760 -0.218 1
1 76 . 1 1 1 A 7 7 THR N N 7 115.540 116.843 -1.303 1
1 77 . 1 1 1 A 8 8 ASP H H 8 8.279 8.381 -0.102 1
1 78 . 1 1 1 A 8 8 ASP HA H 8 4.638 4.279 0.359 1
1 81 . 1 1 1 A 8 8 ASP C C 8 178.553 177.992 0.561 1
1 82 . 1 1 1 A 8 8 ASP CA C 8 57.738 58.082 -0.344 1
1 83 . 1 1 1 A 8 8 ASP CB C 8 41.219 42.151 -0.932 1
1 84 . 1 1 1 A 8 8 ASP N N 8 119.967 121.456 -1.489 1
1 85 . 1 1 1 A 9 9 ASP H H 9 7.905 8.008 -0.103 1
1 86 . 1 1 1 A 9 9 ASP HA H 9 4.573 4.512 0.061 1
1 89 . 1 1 1 A 9 9 ASP C C 9 179.411 178.898 0.513 1
1 90 . 1 1 1 A 9 9 ASP CA C 9 57.667 57.501 0.166 1
1 91 . 1 1 1 A 9 9 ASP CB C 9 41.453 40.350 1.103 1
1 92 . 1 1 1 A 9 9 ASP N N 9 120.222 118.790 1.432 1
1 93 . 1 1 1 A 10 10 LEU H H 10 8.097 8.094 0.003 1
1 94 . 1 1 1 A 10 10 LEU HA H 10 4.225 4.160 0.065 1
1 104 . 1 1 1 A 10 10 LEU C C 10 177.475 178.518 -1.043 1
1 105 . 1 1 1 A 10 10 LEU CA C 10 57.959 58.129 -0.170 1
1 106 . 1 1 1 A 10 10 LEU CB C 10 42.013 41.588 0.425 1
1 110 . 1 1 1 A 10 10 LEU N N 10 121.315 120.795 0.520 1
1 111 . 1 1 1 A 11 11 ARG H H 11 8.841 8.520 0.321 1
1 112 . 1 1 1 A 11 11 ARG HA H 11 3.524 3.827 -0.303 1
1 120 . 1 1 1 A 11 11 ARG C C 11 177.728 178.848 -1.120 1
1 121 . 1 1 1 A 11 11 ARG CA C 11 60.662 59.781 0.881 1
1 122 . 1 1 1 A 11 11 ARG CB C 11 30.618 29.930 0.688 1
1 126 . 1 1 1 A 11 11 ARG N N 11 119.774 119.388 0.386 1
1 128 . 1 1 1 A 12 12 ARG H H 12 7.988 8.017 -0.029 1
1 129 . 1 1 1 A 12 12 ARG HA H 12 4.041 4.044 -0.003 1
1 137 . 1 1 1 A 12 12 ARG C C 12 178.452 178.933 -0.481 1
1 138 . 1 1 1 A 12 12 ARG CA C 12 59.748 59.452 0.296 1
1 139 . 1 1 1 A 12 12 ARG CB C 12 30.414 30.128 0.286 1
1 143 . 1 1 1 A 12 12 ARG N N 12 115.529 118.841 -3.312 1
1 145 . 1 1 1 A 13 13 ALA H H 13 7.722 7.696 0.026 1
1 146 . 1 1 1 A 13 13 ALA HA H 13 4.412 4.176 0.236 1
1 150 . 1 1 1 A 13 13 ALA C C 13 180.069 180.291 -0.222 1
1 151 . 1 1 1 A 13 13 ALA CA C 13 54.990 55.156 -0.166 1
1 152 . 1 1 1 A 13 13 ALA CB C 13 18.654 18.165 0.489 1
1 153 . 1 1 1 A 13 13 ALA N N 13 119.900 122.081 -2.181 1
1 154 . 1 1 1 A 14 14 LEU H H 14 8.419 7.914 0.505 1
1 155 . 1 1 1 A 14 14 LEU HA H 14 4.418 4.252 0.166 1
1 165 . 1 1 1 A 14 14 LEU C C 14 180.574 179.529 1.045 1
1 166 . 1 1 1 A 14 14 LEU CA C 14 57.488 57.919 -0.431 1
1 167 . 1 1 1 A 14 14 LEU CB C 14 42.008 41.154 0.854 1
1 171 . 1 1 1 A 14 14 LEU N N 14 119.013 118.169 0.844 1
1 172 . 1 1 1 A 15 15 VAL H H 15 8.501 8.399 0.102 1
1 173 . 1 1 1 A 15 15 VAL HA H 15 3.929 3.528 0.401 1
1 181 . 1 1 1 A 15 15 VAL C C 15 178.956 177.942 1.014 1
1 182 . 1 1 1 A 15 15 VAL CA C 15 66.056 66.806 -0.750 1
1 183 . 1 1 1 A 15 15 VAL CB C 15 32.053 31.396 0.657 1
1 186 . 1 1 1 A 15 15 VAL N N 15 120.534 120.008 0.526 1
1 187 . 1 1 1 A 16 16 GLU H H 16 8.238 8.830 -0.592 1
1 188 . 1 1 1 A 16 16 GLU HA H 16 4.216 3.976 0.240 1
1 193 . 1 1 1 A 16 16 GLU C C 16 178.530 179.212 -0.682 1
1 194 . 1 1 1 A 16 16 GLU CA C 16 58.963 59.837 -0.874 1
1 195 . 1 1 1 A 16 16 GLU CB C 16 29.866 29.345 0.521 1
1 197 . 1 1 1 A 16 16 GLU N N 16 119.771 119.552 0.219 1
1 198 . 1 1 1 A 17 17 SER H H 17 7.808 8.527 -0.719 1
1 199 . 1 1 1 A 17 17 SER HA H 17 4.581 4.291 0.290 1
1 202 . 1 1 1 A 17 17 SER C C 17 174.239 175.868 -1.629 1
1 203 . 1 1 1 A 17 17 SER CA C 17 59.839 60.762 -0.923 1
1 204 . 1 1 1 A 17 17 SER CB C 17 64.127 62.722 1.405 1
1 205 . 1 1 1 A 17 17 SER N N 17 113.608 114.662 -1.054 1
1 206 . 1 1 1 A 18 18 ALA H H 18 7.809 7.470 0.339 1
1 207 . 1 1 1 A 18 18 ALA HA H 18 4.358 4.323 0.035 1
1 211 . 1 1 1 A 18 18 ALA C C 18 178.239 178.150 0.089 1
1 212 . 1 1 1 A 18 18 ALA CA C 18 52.975 52.474 0.501 1
1 213 . 1 1 1 A 18 18 ALA CB C 18 19.808 19.753 0.055 1
1 214 . 1 1 1 A 18 18 ALA N N 18 123.180 121.973 1.207 1
1 215 . 1 1 1 A 19 19 GLY H H 19 8.241 7.811 0.430 1
1 216 . 1 1 1 A 19 19 GLY HA2 H 19 4.060 4.051 0.009 1
1 217 . 1 1 1 A 19 19 GLY HA3 H 19 4.060 4.055 0.005 1
1 218 . 1 1 1 A 19 19 GLY C C 19 174.390 174.067 0.323 1
1 219 . 1 1 1 A 19 19 GLY CA C 19 45.570 45.235 0.335 1
1 220 . 1 1 1 A 19 19 GLY N N 19 107.414 106.114 1.300 1
1 221 . 1 1 1 A 20 20 GLU H H 20 8.501 8.474 0.027 1
1 222 . 1 1 1 A 20 20 GLU HA H 20 4.481 4.653 -0.172 1
1 227 . 1 1 1 A 20 20 GLU C C 20 176.860 175.341 1.519 1
1 228 . 1 1 1 A 20 20 GLU CA C 20 56.810 55.790 1.020 1
1 229 . 1 1 1 A 20 20 GLU CB C 20 30.060 29.296 0.764 1
1 231 . 1 1 1 A 20 20 GLU N N 20 120.517 124.380 -3.863 1
1 232 . 1 1 1 A 21 21 THR H H 21 8.251 8.322 -0.071 1
1 233 . 1 1 1 A 21 21 THR HA H 21 4.526 4.991 -0.465 1
1 238 . 1 1 1 A 21 21 THR C C 21 174.520 173.256 1.264 1
1 239 . 1 1 1 A 21 21 THR CA C 21 61.836 59.756 2.080 1
1 240 . 1 1 1 A 21 21 THR CB C 21 70.007 71.259 -1.252 1
1 242 . 1 1 1 A 21 21 THR N N 21 113.989 118.495 -4.506 1
1 243 . 1 1 1 A 22 22 ASP H H 22 8.497 8.252 0.245 1
1 244 . 1 1 1 A 22 22 ASP HA H 22 4.737 4.852 -0.115 1
1 247 . 1 1 1 A 22 22 ASP C C 22 176.877 176.949 -0.072 1
1 248 . 1 1 1 A 22 22 ASP CA C 22 54.739 53.297 1.442 1
1 249 . 1 1 1 A 22 22 ASP CB C 22 41.047 41.363 -0.316 1
1 250 . 1 1 1 A 22 22 ASP N N 22 122.136 124.668 -2.532 1
1 251 . 1 1 1 A 23 23 GLY H H 23 8.499 7.786 0.713 1
1 252 . 1 1 1 A 23 23 GLY HA2 H 23 4.087 3.844 0.243 1
1 253 . 1 1 1 A 23 23 GLY HA3 H 23 4.087 3.846 0.241 1
1 254 . 1 1 1 A 23 23 GLY C C 23 174.775 174.802 -0.027 1
1 255 . 1 1 1 A 23 23 GLY CA C 23 45.815 45.245 0.570 1
1 256 . 1 1 1 A 23 23 GLY N N 23 109.353 108.147 1.206 1
1 257 . 1 1 1 A 24 24 THR H H 24 8.151 8.570 -0.419 1
1 258 . 1 1 1 A 24 24 THR HA H 24 4.345 4.175 0.170 1
1 263 . 1 1 1 A 24 24 THR C C 24 174.220 173.994 0.226 1
1 264 . 1 1 1 A 24 24 THR CA C 24 63.084 64.015 -0.931 1
1 265 . 1 1 1 A 24 24 THR CB C 24 69.889 68.167 1.722 1
1 267 . 1 1 1 A 24 24 THR N N 24 115.906 114.844 1.062 1
1 268 . 1 1 1 A 25 25 ASP H H 25 8.617 8.610 0.007 1
1 269 . 1 1 1 A 25 25 ASP HA H 25 4.726 4.901 -0.175 1
1 272 . 1 1 1 A 25 25 ASP C C 25 176.172 176.387 -0.215 1
1 273 . 1 1 1 A 25 25 ASP CA C 25 54.459 53.807 0.652 1
1 274 . 1 1 1 A 25 25 ASP CB C 25 41.038 41.332 -0.294 1
1 275 . 1 1 1 A 25 25 ASP N N 25 123.841 127.996 -4.155 1
1 276 . 1 1 1 A 26 26 LEU H H 26 8.468 7.936 0.532 1
1 277 . 1 1 1 A 26 26 LEU HA H 26 4.375 4.051 0.324 1
1 287 . 1 1 1 A 26 26 LEU C C 26 176.307 176.738 -0.431 1
1 288 . 1 1 1 A 26 26 LEU CA C 26 54.128 54.714 -0.586 1
1 289 . 1 1 1 A 26 26 LEU CB C 26 41.100 40.712 0.388 1
1 293 . 1 1 1 A 26 26 LEU N N 26 123.615 117.932 5.683 1
1 294 . 1 1 1 A 27 27 SER H H 27 8.207 7.730 0.477 1
1 295 . 1 1 1 A 27 27 SER HA H 27 4.303 4.241 0.062 1
1 298 . 1 1 1 A 27 27 SER C C 27 175.019 175.553 -0.534 1
1 299 . 1 1 1 A 27 27 SER CA C 27 59.818 60.414 -0.596 1
1 300 . 1 1 1 A 27 27 SER CB C 27 64.198 63.024 1.174 1
1 301 . 1 1 1 A 27 27 SER N N 27 115.102 115.342 -0.240 1
1 302 . 1 1 1 A 28 28 GLY H H 28 8.581 8.805 -0.224 1
1 303 . 1 1 1 A 28 28 GLY HA2 H 28 4.244 3.943 0.301 1
1 304 . 1 1 1 A 28 28 GLY HA3 H 28 3.890 3.944 -0.054 1
1 305 . 1 1 1 A 28 28 GLY C C 28 174.264 173.497 0.767 1
1 306 . 1 1 1 A 28 28 GLY CA C 28 45.393 46.485 -1.092 1
1 307 . 1 1 1 A 28 28 GLY N N 28 111.287 112.105 -0.818 1
1 308 . 1 1 1 A 29 29 ASP H H 29 8.680 8.646 0.034 1
1 309 . 1 1 1 A 29 29 ASP HA H 29 4.859 5.067 -0.208 1
1 312 . 1 1 1 A 29 29 ASP C C 29 176.461 176.469 -0.008 1
1 313 . 1 1 1 A 29 29 ASP CA C 29 54.284 54.069 0.215 1
1 314 . 1 1 1 A 29 29 ASP CB C 29 39.716 41.287 -1.571 1
1 315 . 1 1 1 A 29 29 ASP N N 29 123.263 123.985 -0.722 1
1 316 . 1 1 1 A 30 30 PHE H H 30 8.064 8.549 -0.485 1
1 317 . 1 1 1 A 30 30 PHE HA H 30 4.766 4.748 0.018 1
1 325 . 1 1 1 A 30 30 PHE C C 30 175.486 176.560 -1.074 1
1 326 . 1 1 1 A 30 30 PHE CA C 30 57.460 57.104 0.356 1
1 327 . 1 1 1 A 30 30 PHE CB C 30 40.521 39.423 1.098 1
1 333 . 1 1 1 A 30 30 PHE N N 30 122.340 119.694 2.646 1
1 334 . 1 1 1 A 31 31 LEU H H 31 7.535 7.540 -0.005 1
1 335 . 1 1 1 A 31 31 LEU HA H 31 3.309 3.612 -0.303 1
1 345 . 1 1 1 A 31 31 LEU C C 31 176.442 177.455 -1.013 1
1 346 . 1 1 1 A 31 31 LEU CA C 31 57.841 57.290 0.551 1
1 347 . 1 1 1 A 31 31 LEU CB C 31 42.121 41.627 0.494 1
1 351 . 1 1 1 A 31 31 LEU N N 31 118.974 121.657 -2.683 1
1 352 . 1 1 1 A 32 32 ASP H H 32 8.081 8.259 -0.178 1
1 353 . 1 1 1 A 32 32 ASP HA H 32 5.057 4.624 0.433 1
1 356 . 1 1 1 A 32 32 ASP C C 32 176.035 175.848 0.187 1
1 357 . 1 1 1 A 32 32 ASP CA C 32 53.745 53.745 0.000 1
1 358 . 1 1 1 A 32 32 ASP CB C 32 41.757 40.543 1.214 1
1 359 . 1 1 1 A 32 32 ASP N N 32 111.858 114.819 -2.961 1
1 360 . 1 1 1 A 33 33 LEU H H 33 7.223 7.413 -0.190 1
1 361 . 1 1 1 A 33 33 LEU HA H 33 4.315 4.265 0.050 1
1 371 . 1 1 1 A 33 33 LEU C C 33 174.834 175.879 -1.045 1
1 372 . 1 1 1 A 33 33 LEU CA C 33 54.484 54.584 -0.100 1
1 373 . 1 1 1 A 33 33 LEU CB C 33 42.469 41.435 1.034 1
1 377 . 1 1 1 A 33 33 LEU N N 33 122.072 122.695 -0.623 1
1 378 . 1 1 1 A 34 34 ARG H H 34 8.486 8.827 -0.341 1
1 379 . 1 1 1 A 34 34 ARG HA H 34 4.746 4.121 0.625 1
1 387 . 1 1 1 A 34 34 ARG C C 34 179.695 177.932 1.763 1
1 388 . 1 1 1 A 34 34 ARG CA C 34 55.460 56.047 -0.587 1
1 389 . 1 1 1 A 34 34 ARG CB C 34 29.981 30.588 -0.607 1
1 393 . 1 1 1 A 34 34 ARG N N 34 116.268 124.988 -8.720 1
1 395 . 1 1 1 A 35 35 PHE H H 35 8.453 8.200 0.253 1
1 396 . 1 1 1 A 35 35 PHE HA H 35 4.398 4.297 0.101 1
1 404 . 1 1 1 A 35 35 PHE C C 35 178.728 178.314 0.414 1
1 405 . 1 1 1 A 35 35 PHE CA C 35 62.994 61.166 1.828 1
1 406 . 1 1 1 A 35 35 PHE CB C 35 37.964 38.505 -0.541 1
1 412 . 1 1 1 A 35 35 PHE N N 35 123.273 121.987 1.286 1
1 413 . 1 1 1 A 36 36 GLU H H 36 9.540 8.653 0.887 1
1 414 . 1 1 1 A 36 36 GLU HA H 36 4.357 4.111 0.246 1
1 419 . 1 1 1 A 36 36 GLU C C 36 178.636 178.510 0.126 1
1 420 . 1 1 1 A 36 36 GLU CA C 36 59.160 59.318 -0.158 1
1 421 . 1 1 1 A 36 36 GLU CB C 36 29.610 28.966 0.644 1
1 423 . 1 1 1 A 36 36 GLU N N 36 117.074 117.359 -0.285 1
1 424 . 1 1 1 A 37 37 ASP H H 37 7.532 7.713 -0.181 1
1 425 . 1 1 1 A 37 37 ASP HA H 37 4.811 4.446 0.365 1
1 428 . 1 1 1 A 37 37 ASP C C 37 177.974 177.444 0.530 1
1 429 . 1 1 1 A 37 37 ASP CA C 37 56.496 56.256 0.240 1
1 430 . 1 1 1 A 37 37 ASP CB C 37 41.271 41.001 0.270 1
1 431 . 1 1 1 A 37 37 ASP N N 37 118.229 120.095 -1.866 1
1 432 . 1 1 1 A 38 38 ILE H H 38 7.728 7.435 0.293 1
1 433 . 1 1 1 A 38 38 ILE HA H 38 4.676 4.358 0.318 1
1 443 . 1 1 1 A 38 38 ILE C C 38 176.102 176.447 -0.345 1
1 444 . 1 1 1 A 38 38 ILE CA C 38 61.973 60.511 1.462 1
1 445 . 1 1 1 A 38 38 ILE CB C 38 38.682 37.613 1.069 1
1 449 . 1 1 1 A 38 38 ILE N N 38 112.806 112.600 0.206 1
1 450 . 1 1 1 A 39 39 GLY H H 39 7.735 7.897 -0.162 1
1 451 . 1 1 1 A 39 39 GLY HA2 H 39 4.271 3.985 0.286 1
1 452 . 1 1 1 A 39 39 GLY HA3 H 39 3.898 3.988 -0.090 1
1 453 . 1 1 1 A 39 39 GLY C C 39 174.444 174.232 0.212 1
1 454 . 1 1 1 A 39 39 GLY CA C 39 46.438 46.589 -0.151 1
1 455 . 1 1 1 A 39 39 GLY N N 39 107.120 111.097 -3.977 1
1 456 . 1 1 1 A 40 40 TYR H H 40 8.081 8.276 -0.195 1
1 457 . 1 1 1 A 40 40 TYR HA H 40 4.586 4.830 -0.244 1
1 464 . 1 1 1 A 40 40 TYR C C 40 174.461 174.884 -0.423 1
1 465 . 1 1 1 A 40 40 TYR CA C 40 58.185 57.050 1.135 1
1 466 . 1 1 1 A 40 40 TYR CB C 40 40.424 40.056 0.368 1
1 471 . 1 1 1 A 40 40 TYR N N 40 121.688 118.687 3.001 1
1 472 . 1 1 1 A 41 41 ASP H H 41 8.040 8.822 -0.782 1
1 473 . 1 1 1 A 41 41 ASP HA H 41 4.727 4.858 -0.131 1
1 476 . 1 1 1 A 41 41 ASP C C 41 175.980 177.452 -1.472 1
1 477 . 1 1 1 A 41 41 ASP CA C 41 52.812 53.725 -0.913 1
1 478 . 1 1 1 A 41 41 ASP CB C 41 42.068 41.714 0.354 1
1 479 . 1 1 1 A 41 41 ASP N N 41 124.041 125.042 -1.001 1
1 480 . 1 1 1 A 42 42 SER H H 42 8.561 8.995 -0.434 1
1 481 . 1 1 1 A 42 42 SER HA H 42 4.198 4.023 0.175 1
1 484 . 1 1 1 A 42 42 SER C C 42 176.472 176.662 -0.190 1
1 485 . 1 1 1 A 42 42 SER CA C 42 62.309 62.198 0.111 1
1 486 . 1 1 1 A 42 42 SER CB C 42 62.943 62.483 0.460 1
1 487 . 1 1 1 A 42 42 SER N N 42 114.493 118.173 -3.680 1
1 488 . 1 1 1 A 43 43 LEU H H 43 7.804 8.029 -0.225 1
1 489 . 1 1 1 A 43 43 LEU HA H 43 4.270 4.049 0.221 1
1 499 . 1 1 1 A 43 43 LEU C C 43 179.551 178.326 1.225 1
1 500 . 1 1 1 A 43 43 LEU CA C 43 58.369 57.974 0.395 1
1 501 . 1 1 1 A 43 43 LEU CB C 43 41.057 41.604 -0.547 1
1 505 . 1 1 1 A 43 43 LEU N N 43 122.459 124.460 -2.001 1
1 506 . 1 1 1 A 44 44 ALA H H 44 8.064 8.205 -0.141 1
1 507 . 1 1 1 A 44 44 ALA HA H 44 4.334 3.937 0.397 1
1 511 . 1 1 1 A 44 44 ALA C C 44 181.733 180.055 1.678 1
1 512 . 1 1 1 A 44 44 ALA CA C 44 54.987 55.186 -0.199 1
1 513 . 1 1 1 A 44 44 ALA CB C 44 18.500 17.981 0.519 1
1 514 . 1 1 1 A 44 44 ALA N N 44 123.223 120.988 2.235 1
1 515 . 1 1 1 A 45 45 LEU H H 45 8.422 8.338 0.084 1
1 516 . 1 1 1 A 45 45 LEU HA H 45 3.907 4.190 -0.283 1
1 526 . 1 1 1 A 45 45 LEU C C 45 178.613 178.867 -0.254 1
1 527 . 1 1 1 A 45 45 LEU CA C 45 58.419 57.749 0.670 1
1 528 . 1 1 1 A 45 45 LEU CB C 45 41.643 41.409 0.234 1
1 532 . 1 1 1 A 45 45 LEU N N 45 121.714 120.048 1.666 1
1 533 . 1 1 1 A 46 46 MET H H 46 8.344 8.600 -0.256 1
1 534 . 1 1 1 A 46 46 MET HA H 46 4.259 4.047 0.212 1
1 539 . 1 1 1 A 46 46 MET C C 46 179.856 178.420 1.436 1
1 540 . 1 1 1 A 46 46 MET CA C 46 58.769 58.920 -0.151 1
1 541 . 1 1 1 A 46 46 MET CB C 46 32.022 32.802 -0.780 1
1 543 . 1 1 1 A 46 46 MET N N 46 119.039 117.045 1.994 1
1 544 . 1 1 1 A 47 47 GLU H H 47 8.414 7.988 0.426 1
1 545 . 1 1 1 A 47 47 GLU HA H 47 4.257 4.107 0.150 1
1 550 . 1 1 1 A 47 47 GLU C C 47 179.208 179.355 -0.147 1
1 551 . 1 1 1 A 47 47 GLU CA C 47 59.504 59.213 0.291 1
1 552 . 1 1 1 A 47 47 GLU CB C 47 29.229 29.341 -0.112 1
1 554 . 1 1 1 A 47 47 GLU N N 47 121.231 120.313 0.918 1
1 555 . 1 1 1 A 48 48 THR H H 48 8.329 7.939 0.390 1
1 556 . 1 1 1 A 48 48 THR HA H 48 3.962 3.969 -0.007 1
1 561 . 1 1 1 A 48 48 THR C C 48 176.334 176.609 -0.275 1
1 562 . 1 1 1 A 48 48 THR CA C 48 67.882 66.613 1.269 1
1 563 . 1 1 1 A 48 48 THR CB C 48 68.478 68.798 -0.320 1
1 565 . 1 1 1 A 48 48 THR N N 48 118.600 117.227 1.373 1
1 566 . 1 1 1 A 49 49 ALA H H 49 8.756 8.581 0.175 1
1 567 . 1 1 1 A 49 49 ALA HA H 49 3.963 3.964 -0.001 1
1 571 . 1 1 1 A 49 49 ALA C C 49 178.615 179.436 -0.821 1
1 572 . 1 1 1 A 49 49 ALA CA C 49 56.227 55.506 0.721 1
1 573 . 1 1 1 A 49 49 ALA CB C 49 17.499 17.917 -0.418 1
1 574 . 1 1 1 A 49 49 ALA N N 49 123.599 123.059 0.540 1
1 575 . 1 1 1 A 50 50 ALA H H 50 8.191 8.431 -0.240 1
1 576 . 1 1 1 A 50 50 ALA HA H 50 4.281 4.586 -0.305 1
1 580 . 1 1 1 A 50 50 ALA C C 50 181.272 180.354 0.918 1
1 581 . 1 1 1 A 50 50 ALA CA C 50 55.488 55.243 0.245 1
1 582 . 1 1 1 A 50 50 ALA CB C 50 18.107 18.564 -0.457 1
1 583 . 1 1 1 A 50 50 ALA N N 50 119.558 120.313 -0.755 1
1 584 . 1 1 1 A 51 51 ARG H H 51 8.146 7.850 0.296 1
1 585 . 1 1 1 A 51 51 ARG HA H 51 4.257 4.031 0.226 1
1 593 . 1 1 1 A 51 51 ARG C C 51 179.815 178.495 1.320 1
1 594 . 1 1 1 A 51 51 ARG CA C 51 59.591 59.374 0.217 1
1 595 . 1 1 1 A 51 51 ARG CB C 51 30.400 29.646 0.754 1
1 599 . 1 1 1 A 51 51 ARG N N 51 119.722 118.507 1.215 1
1 601 . 1 1 1 A 52 52 LEU H H 52 8.432 8.017 0.415 1
1 602 . 1 1 1 A 52 52 LEU HA H 52 4.330 4.152 0.178 1
1 612 . 1 1 1 A 52 52 LEU C C 52 179.152 179.304 -0.152 1
1 613 . 1 1 1 A 52 52 LEU CA C 52 58.139 58.174 -0.035 1
1 614 . 1 1 1 A 52 52 LEU CB C 52 42.615 41.405 1.210 1
1 618 . 1 1 1 A 52 52 LEU N N 52 120.470 119.586 0.884 1
1 619 . 1 1 1 A 53 53 GLU H H 53 8.989 8.875 0.114 1
1 620 . 1 1 1 A 53 53 GLU HA H 53 4.105 3.992 0.113 1
1 625 . 1 1 1 A 53 53 GLU C C 53 179.370 178.945 0.425 1
1 626 . 1 1 1 A 53 53 GLU CA C 53 60.145 59.993 0.152 1
1 627 . 1 1 1 A 53 53 GLU CB C 53 29.184 29.340 -0.156 1
1 629 . 1 1 1 A 53 53 GLU N N 53 119.668 119.045 0.623 1
1 630 . 1 1 1 A 54 54 SER H H 54 8.028 8.316 -0.288 1
1 631 . 1 1 1 A 54 54 SER HA H 54 4.392 4.152 0.240 1
1 634 . 1 1 1 A 54 54 SER C C 54 176.891 176.081 0.810 1
1 635 . 1 1 1 A 54 54 SER CA C 54 61.162 61.751 -0.589 1
1 636 . 1 1 1 A 54 54 SER CB C 54 63.222 62.790 0.432 1
1 637 . 1 1 1 A 54 54 SER N N 54 112.842 117.348 -4.506 1
1 638 . 1 1 1 A 55 55 ARG H H 55 8.070 8.024 0.046 1
1 639 . 1 1 1 A 55 55 ARG HA H 55 4.111 3.952 0.159 1
1 647 . 1 1 1 A 55 55 ARG C C 55 177.830 177.377 0.453 1
1 648 . 1 1 1 A 55 55 ARG CA C 55 58.824 58.924 -0.100 1
1 649 . 1 1 1 A 55 55 ARG CB C 55 30.829 29.620 1.209 1
1 653 . 1 1 1 A 55 55 ARG N N 55 120.550 121.012 -0.462 1
1 655 . 1 1 1 A 56 56 TYR H H 56 8.171 7.957 0.214 1
1 656 . 1 1 1 A 56 56 TYR HA H 56 4.685 4.677 0.008 1
1 663 . 1 1 1 A 56 56 TYR C C 56 176.027 175.582 0.445 1
1 664 . 1 1 1 A 56 56 TYR CA C 56 59.110 57.627 1.483 1
1 665 . 1 1 1 A 56 56 TYR CB C 56 39.339 38.632 0.707 1
1 670 . 1 1 1 A 56 56 TYR N N 56 113.561 114.793 -1.232 1
1 671 . 1 1 1 A 57 57 GLY H H 57 7.998 7.587 0.411 1
1 672 . 1 1 1 A 57 57 GLY HA2 H 57 4.105 3.963 0.142 1
1 673 . 1 1 1 A 57 57 GLY HA3 H 57 4.105 3.971 0.134 1
1 674 . 1 1 1 A 57 57 GLY C C 57 174.600 173.889 0.711 1
1 675 . 1 1 1 A 57 57 GLY CA C 57 47.349 47.189 0.160 1
1 676 . 1 1 1 A 57 57 GLY N N 57 109.470 110.150 -0.680 1
1 677 . 1 1 1 A 58 58 VAL H H 58 7.515 7.940 -0.425 1
1 678 . 1 1 1 A 58 58 VAL HA H 58 4.694 4.952 -0.258 1
1 686 . 1 1 1 A 58 58 VAL C C 58 174.016 174.295 -0.279 1
1 687 . 1 1 1 A 58 58 VAL CA C 58 59.282 59.039 0.243 1
1 688 . 1 1 1 A 58 58 VAL CB C 58 34.791 36.403 -1.612 1
1 691 . 1 1 1 A 58 58 VAL N N 58 112.406 114.440 -2.034 1
1 692 . 1 1 1 A 59 59 SER H H 59 8.489 8.688 -0.199 1
1 693 . 1 1 1 A 59 59 SER HA H 59 4.847 5.266 -0.419 1
1 696 . 1 1 1 A 59 59 SER C C 59 173.643 172.974 0.669 1
1 697 . 1 1 1 A 59 59 SER CA C 59 57.213 57.101 0.112 1
1 698 . 1 1 1 A 59 59 SER CB C 59 64.285 65.155 -0.870 1
1 699 . 1 1 1 A 59 59 SER N N 59 116.724 116.343 0.381 1
1 700 . 1 1 1 A 60 60 ILE H H 60 8.224 9.603 -1.379 1
1 701 . 1 1 1 A 60 60 ILE HA H 60 4.676 4.603 0.073 1
1 711 . 1 1 1 A 60 60 ILE CA C 60 57.702 57.721 -0.019 1
1 712 . 1 1 1 A 60 60 ILE CB C 60 40.520 39.382 1.138 1
1 716 . 1 1 1 A 60 60 ILE N N 60 125.582 126.897 -1.315 1
1 717 . 1 1 1 A 61 61 PRO HA H 61 4.543 4.498 0.045 1
1 724 . 1 1 1 A 61 61 PRO C C 61 177.547 177.270 0.277 1
1 725 . 1 1 1 A 61 61 PRO CA C 61 63.523 63.396 0.127 1
1 726 . 1 1 1 A 61 61 PRO CB C 61 32.704 32.117 0.587 1
1 729 . 1 1 1 A 62 62 ASP H H 62 8.857 8.813 0.044 1
1 730 . 1 1 1 A 62 62 ASP HA H 62 4.447 4.285 0.162 1
1 733 . 1 1 1 A 62 62 ASP C C 62 177.504 178.146 -0.642 1
1 734 . 1 1 1 A 62 62 ASP CA C 62 57.105 56.907 0.198 1
1 735 . 1 1 1 A 62 62 ASP CB C 62 40.668 39.806 0.862 1
1 736 . 1 1 1 A 62 62 ASP N N 62 123.624 124.958 -1.334 1
1 737 . 1 1 1 A 63 63 ASP H H 63 8.691 8.194 0.497 1
1 738 . 1 1 1 A 63 63 ASP HA H 63 4.508 4.423 0.085 1
1 741 . 1 1 1 A 63 63 ASP C C 63 177.468 178.521 -1.053 1
1 742 . 1 1 1 A 63 63 ASP CA C 63 55.267 57.281 -2.014 1
1 743 . 1 1 1 A 63 63 ASP CB C 63 39.691 41.503 -1.812 1
1 744 . 1 1 1 A 63 63 ASP N N 63 116.744 120.681 -3.937 1
1 745 . 1 1 1 A 64 64 VAL H H 64 7.388 7.768 -0.380 1
1 746 . 1 1 1 A 64 64 VAL HA H 64 3.789 3.588 0.201 1
1 754 . 1 1 1 A 64 64 VAL C C 64 177.793 178.120 -0.327 1
1 755 . 1 1 1 A 64 64 VAL CA C 64 65.251 66.482 -1.231 1
1 756 . 1 1 1 A 64 64 VAL CB C 64 32.347 31.429 0.918 1
1 759 . 1 1 1 A 64 64 VAL N N 64 119.303 118.987 0.316 1
1 760 . 1 1 1 A 65 65 ALA H H 65 8.212 8.191 0.021 1
1 761 . 1 1 1 A 65 65 ALA HA H 65 3.967 4.066 -0.099 1
1 765 . 1 1 1 A 65 65 ALA C C 65 178.005 178.667 -0.662 1
1 766 . 1 1 1 A 65 65 ALA CA C 65 55.196 55.032 0.164 1
1 767 . 1 1 1 A 65 65 ALA CB C 65 18.373 18.524 -0.151 1
1 768 . 1 1 1 A 65 65 ALA N N 65 122.060 121.366 0.694 1
1 769 . 1 1 1 A 66 66 GLY H H 66 7.995 7.587 0.408 1
1 770 . 1 1 1 A 66 66 GLY HA2 H 66 4.133 3.996 0.137 1
1 771 . 1 1 1 A 66 66 GLY HA3 H 66 3.912 4.022 -0.110 1
1 772 . 1 1 1 A 66 66 GLY C C 66 174.615 174.754 -0.139 1
1 773 . 1 1 1 A 66 66 GLY CA C 66 45.925 45.445 0.480 1
1 774 . 1 1 1 A 66 66 GLY N N 66 99.445 105.041 -5.596 1
1 775 . 1 1 1 A 67 67 ARG H H 67 7.478 8.028 -0.550 1
1 776 . 1 1 1 A 67 67 ARG HA H 67 4.659 4.391 0.268 1
1 784 . 1 1 1 A 67 67 ARG C C 67 176.470 175.871 0.599 1
1 785 . 1 1 1 A 67 67 ARG CA C 67 55.647 57.542 -1.895 1
1 786 . 1 1 1 A 67 67 ARG CB C 67 31.843 30.903 0.940 1
1 790 . 1 1 1 A 67 67 ARG N N 67 116.761 119.709 -2.948 1
1 792 . 1 1 1 A 68 68 VAL H H 68 7.244 6.977 0.267 1
1 793 . 1 1 1 A 68 68 VAL HA H 68 4.437 4.192 0.245 1
1 801 . 1 1 1 A 68 68 VAL C C 68 175.250 175.505 -0.255 1
1 802 . 1 1 1 A 68 68 VAL CA C 68 61.919 61.910 0.009 1
1 803 . 1 1 1 A 68 68 VAL CB C 68 33.329 32.388 0.941 1
1 806 . 1 1 1 A 68 68 VAL N N 68 114.725 116.887 -2.162 1
1 807 . 1 1 1 A 69 69 ASP H H 69 9.180 8.886 0.294 1
1 808 . 1 1 1 A 69 69 ASP HA H 69 5.272 4.922 0.350 1
1 811 . 1 1 1 A 69 69 ASP C C 69 177.035 176.037 0.998 1
1 812 . 1 1 1 A 69 69 ASP CA C 69 55.862 56.530 -0.668 1
1 813 . 1 1 1 A 69 69 ASP CB C 69 44.421 42.762 1.659 1
1 814 . 1 1 1 A 69 69 ASP N N 69 120.929 125.282 -4.353 1
1 815 . 1 1 1 A 70 70 THR H H 70 7.490 7.516 -0.026 1
1 816 . 1 1 1 A 70 70 THR HA H 70 4.969 4.378 0.591 1
1 821 . 1 1 1 A 70 70 THR CA C 70 57.776 58.219 -0.443 1
1 822 . 1 1 1 A 70 70 THR CB C 70 71.416 70.346 1.070 1
1 824 . 1 1 1 A 70 70 THR N N 70 107.879 109.792 -1.913 1
1 825 . 1 1 1 A 71 71 PRO HA H 71 4.247 4.237 0.010 1
1 832 . 1 1 1 A 71 71 PRO C C 71 177.413 177.964 -0.551 1
1 833 . 1 1 1 A 71 71 PRO CA C 71 65.812 65.111 0.701 1
1 834 . 1 1 1 A 71 71 PRO CB C 71 32.647 31.343 1.304 1
1 837 . 1 1 1 A 72 72 ARG H H 72 9.000 8.338 0.662 1
1 838 . 1 1 1 A 72 72 ARG HA H 72 3.619 3.977 -0.358 1
1 850 . 1 1 1 A 72 72 ARG C C 72 177.530 178.749 -1.219 1
1 851 . 1 1 1 A 72 72 ARG CA C 72 60.211 58.971 1.240 1
1 852 . 1 1 1 A 72 72 ARG CB C 72 30.433 29.895 0.538 1
1 856 . 1 1 1 A 72 72 ARG N N 72 117.747 116.646 1.101 1
1 860 . 1 1 1 A 73 73 GLU H H 73 7.840 7.747 0.093 1
1 861 . 1 1 1 A 73 73 GLU HA H 73 4.245 4.034 0.211 1
1 866 . 1 1 1 A 73 73 GLU C C 73 180.139 179.187 0.952 1
1 867 . 1 1 1 A 73 73 GLU CA C 73 59.071 58.774 0.297 1
1 868 . 1 1 1 A 73 73 GLU CB C 73 30.230 29.534 0.696 1
1 870 . 1 1 1 A 73 73 GLU N N 73 116.639 119.268 -2.629 1
1 871 . 1 1 1 A 74 74 LEU H H 74 7.693 7.617 0.076 1
1 872 . 1 1 1 A 74 74 LEU HA H 74 4.324 4.087 0.237 1
1 882 . 1 1 1 A 74 74 LEU C C 74 177.000 178.138 -1.138 1
1 883 . 1 1 1 A 74 74 LEU CA C 74 58.123 58.104 0.019 1
1 884 . 1 1 1 A 74 74 LEU CB C 74 42.242 41.559 0.683 1
1 888 . 1 1 1 A 74 74 LEU N N 74 120.218 121.947 -1.729 1
1 889 . 1 1 1 A 75 75 LEU H H 75 8.731 8.286 0.445 1
1 890 . 1 1 1 A 75 75 LEU HA H 75 3.904 3.932 -0.028 1
1 900 . 1 1 1 A 75 75 LEU C C 75 178.122 177.940 0.182 1
1 901 . 1 1 1 A 75 75 LEU CA C 75 58.462 58.346 0.116 1
1 902 . 1 1 1 A 75 75 LEU CB C 75 42.400 41.457 0.943 1
1 906 . 1 1 1 A 75 75 LEU N N 75 121.211 119.663 1.548 1
1 907 . 1 1 1 A 76 76 ASP H H 76 8.703 8.229 0.474 1
1 908 . 1 1 1 A 76 76 ASP HA H 76 4.497 4.260 0.237 1
1 911 . 1 1 1 A 76 76 ASP C C 76 180.101 178.345 1.756 1
1 912 . 1 1 1 A 76 76 ASP CA C 76 57.325 57.853 -0.528 1
1 913 . 1 1 1 A 76 76 ASP CB C 76 39.936 41.561 -1.625 1
1 914 . 1 1 1 A 76 76 ASP N N 76 117.466 118.725 -1.259 1
1 915 . 1 1 1 A 77 77 LEU H H 77 8.019 8.092 -0.073 1
1 916 . 1 1 1 A 77 77 LEU HA H 77 4.282 4.063 0.219 1
1 926 . 1 1 1 A 77 77 LEU C C 77 179.840 178.408 1.432 1
1 927 . 1 1 1 A 77 77 LEU CA C 77 58.417 58.459 -0.042 1
1 928 . 1 1 1 A 77 77 LEU CB C 77 42.856 41.620 1.236 1
1 932 . 1 1 1 A 77 77 LEU N N 77 122.891 120.272 2.619 1
1 933 . 1 1 1 A 78 78 ILE H H 78 8.281 8.114 0.167 1
1 934 . 1 1 1 A 78 78 ILE HA H 78 3.756 3.611 0.145 1
1 944 . 1 1 1 A 78 78 ILE C C 78 177.655 178.446 -0.791 1
1 945 . 1 1 1 A 78 78 ILE CA C 78 64.638 64.770 -0.132 1
1 946 . 1 1 1 A 78 78 ILE CB C 78 37.325 36.705 0.620 1
1 950 . 1 1 1 A 78 78 ILE N N 78 119.758 119.480 0.278 1
1 951 . 1 1 1 A 79 79 ASN H H 79 8.880 8.942 -0.062 1
1 952 . 1 1 1 A 79 79 ASN HA H 79 4.918 4.397 0.521 1
1 957 . 1 1 1 A 79 79 ASN C C 79 179.481 179.065 0.416 1
1 958 . 1 1 1 A 79 79 ASN CA C 79 55.446 56.116 -0.670 1
1 959 . 1 1 1 A 79 79 ASN CB C 79 37.299 37.697 -0.398 1
1 960 . 1 1 1 A 79 79 ASN N N 79 117.848 119.201 -1.353 1
1 962 . 1 1 1 A 80 80 GLY H H 80 8.441 8.603 -0.162 1
1 963 . 1 1 1 A 80 80 GLY HA2 H 80 4.036 3.808 0.228 1
1 964 . 1 1 1 A 80 80 GLY HA3 H 80 4.036 3.811 0.225 1
1 965 . 1 1 1 A 80 80 GLY C C 80 175.746 176.474 -0.728 1
1 966 . 1 1 1 A 80 80 GLY CA C 80 47.065 46.794 0.271 1
1 967 . 1 1 1 A 80 80 GLY N N 80 110.120 108.446 1.674 1
1 968 . 1 1 1 A 81 81 ALA H H 81 7.604 7.793 -0.189 1
1 969 . 1 1 1 A 81 81 ALA HA H 81 4.467 3.971 0.496 1
1 973 . 1 1 1 A 81 81 ALA C C 81 180.565 180.168 0.397 1
1 974 . 1 1 1 A 81 81 ALA CA C 81 54.298 54.752 -0.454 1
1 975 . 1 1 1 A 81 81 ALA CB C 81 18.530 18.705 -0.175 1
1 976 . 1 1 1 A 81 81 ALA N N 81 124.070 125.002 -0.932 1
1 977 . 1 1 1 A 82 82 LEU H H 82 8.299 8.512 -0.213 1
1 978 . 1 1 1 A 82 82 LEU HA H 82 4.219 4.245 -0.026 1
1 988 . 1 1 1 A 82 82 LEU C C 82 178.837 179.070 -0.233 1
1 989 . 1 1 1 A 82 82 LEU CA C 82 56.967 56.685 0.282 1
1 990 . 1 1 1 A 82 82 LEU CB C 82 42.610 41.153 1.457 1
1 994 . 1 1 1 A 82 82 LEU N N 82 119.823 118.320 1.503 1
1 995 . 1 1 1 A 83 83 ALA H H 83 7.964 7.361 0.603 1
1 996 . 1 1 1 A 83 83 ALA HA H 83 4.298 4.082 0.216 1
1 1000 . 1 1 1 A 83 83 ALA C C 83 178.739 178.546 0.193 1
1 1001 . 1 1 1 A 83 83 ALA CA C 83 53.965 54.840 -0.875 1
1 1002 . 1 1 1 A 83 83 ALA CB C 83 18.917 18.293 0.624 1
1 1003 . 1 1 1 A 83 83 ALA N N 83 121.306 121.766 -0.460 1
1 1004 . 1 1 1 A 84 84 GLU H H 84 7.746 7.925 -0.179 1
1 1005 . 1 1 1 A 84 84 GLU HA H 84 4.396 4.456 -0.060 1
1 1010 . 1 1 1 A 84 84 GLU C C 84 176.347 176.406 -0.059 1
1 1011 . 1 1 1 A 84 84 GLU CA C 84 56.739 57.053 -0.314 1
1 1012 . 1 1 1 A 84 84 GLU CB C 84 30.126 31.702 -1.576 1
1 1014 . 1 1 1 A 84 84 GLU N N 84 117.080 115.069 2.011 1
1 1015 . 1 1 1 A 85 85 ALA H H 85 7.832 7.689 0.143 1
1 1016 . 1 1 1 A 85 85 ALA HA H 85 4.485 4.643 -0.158 1
1 1020 . 1 1 1 A 85 85 ALA C C 85 176.564 176.150 0.414 1
1 1021 . 1 1 1 A 85 85 ALA CA C 85 52.485 50.537 1.948 1
1 1022 . 1 1 1 A 85 85 ALA CB C 85 19.529 22.126 -2.597 1
1 1023 . 1 1 1 A 85 85 ALA N N 85 124.010 121.887 2.123 1
1 1 . 2 1 1 A 2 2 ALA HA H 2 4.297 5.323 -1.026 1
1 5 . 2 1 1 A 2 2 ALA C C 2 173.708 175.054 -1.346 1
1 6 . 2 1 1 A 2 2 ALA CA C 2 51.945 50.279 1.666 1
1 7 . 2 1 1 A 2 2 ALA CB C 2 19.979 22.569 -2.590 1
1 8 . 2 1 1 A 3 3 THR H H 3 8.680 8.813 -0.133 1
1 9 . 2 1 1 A 3 3 THR HA H 3 4.411 4.638 -0.227 1
1 14 . 2 1 1 A 3 3 THR C C 3 172.914 174.141 -1.227 1
1 15 . 2 1 1 A 3 3 THR CA C 3 62.665 61.089 1.576 1
1 16 . 2 1 1 A 3 3 THR CB C 3 69.902 69.929 -0.027 1
1 18 . 2 1 1 A 3 3 THR N N 3 117.458 117.490 -0.032 1
1 19 . 2 1 1 A 4 4 LEU H H 4 8.145 8.491 -0.346 1
1 20 . 2 1 1 A 4 4 LEU HA H 4 4.384 4.173 0.211 1
1 30 . 2 1 1 A 4 4 LEU C C 4 177.176 176.349 0.827 1
1 31 . 2 1 1 A 4 4 LEU CA C 4 54.765 55.703 -0.938 1
1 32 . 2 1 1 A 4 4 LEU CB C 4 42.790 43.178 -0.388 1
1 36 . 2 1 1 A 4 4 LEU N N 4 124.380 129.650 -5.270 1
1 37 . 2 1 1 A 5 5 LEU H H 5 9.419 8.343 1.076 1
1 38 . 2 1 1 A 5 5 LEU HA H 5 4.536 4.986 -0.450 1
1 48 . 2 1 1 A 5 5 LEU C C 5 177.849 176.746 1.103 1
1 49 . 2 1 1 A 5 5 LEU CA C 5 55.488 53.292 2.196 1
1 50 . 2 1 1 A 5 5 LEU CB C 5 42.700 43.499 -0.799 1
1 54 . 2 1 1 A 5 5 LEU N N 5 124.415 126.703 -2.288 1
1 55 . 2 1 1 A 6 6 THR H H 6 8.995 8.848 0.147 1
1 56 . 2 1 1 A 6 6 THR HA H 6 4.783 4.778 0.005 1
1 61 . 2 1 1 A 6 6 THR C C 6 175.943 176.365 -0.422 1
1 62 . 2 1 1 A 6 6 THR CA C 6 59.961 59.904 0.057 1
1 63 . 2 1 1 A 6 6 THR CB C 6 72.429 71.383 1.046 1
1 65 . 2 1 1 A 6 6 THR N N 6 114.757 115.491 -0.734 1
1 66 . 2 1 1 A 7 7 THR H H 7 8.851 8.912 -0.061 1
1 67 . 2 1 1 A 7 7 THR HA H 7 3.881 3.855 0.026 1
1 72 . 2 1 1 A 7 7 THR C C 7 176.566 175.968 0.598 1
1 73 . 2 1 1 A 7 7 THR CA C 7 67.277 66.948 0.329 1
1 74 . 2 1 1 A 7 7 THR CB C 7 68.542 68.487 0.055 1
1 76 . 2 1 1 A 7 7 THR N N 7 115.540 116.864 -1.324 1
1 77 . 2 1 1 A 8 8 ASP H H 8 8.279 8.385 -0.106 1
1 78 . 2 1 1 A 8 8 ASP HA H 8 4.638 4.344 0.294 1
1 81 . 2 1 1 A 8 8 ASP C C 8 178.553 178.142 0.411 1
1 82 . 2 1 1 A 8 8 ASP CA C 8 57.738 58.056 -0.318 1
1 83 . 2 1 1 A 8 8 ASP CB C 8 41.219 41.759 -0.540 1
1 84 . 2 1 1 A 8 8 ASP N N 8 119.967 121.142 -1.175 1
1 85 . 2 1 1 A 9 9 ASP H H 9 7.905 7.646 0.259 1
1 86 . 2 1 1 A 9 9 ASP HA H 9 4.573 4.546 0.027 1
1 89 . 2 1 1 A 9 9 ASP C C 9 179.411 178.888 0.523 1
1 90 . 2 1 1 A 9 9 ASP CA C 9 57.667 57.512 0.155 1
1 91 . 2 1 1 A 9 9 ASP CB C 9 41.453 40.428 1.025 1
1 92 . 2 1 1 A 9 9 ASP N N 9 120.222 119.339 0.883 1
1 93 . 2 1 1 A 10 10 LEU H H 10 8.097 8.117 -0.020 1
1 94 . 2 1 1 A 10 10 LEU HA H 10 4.225 4.186 0.039 1
1 104 . 2 1 1 A 10 10 LEU C C 10 177.475 178.528 -1.053 1
1 105 . 2 1 1 A 10 10 LEU CA C 10 57.959 58.193 -0.234 1
1 106 . 2 1 1 A 10 10 LEU CB C 10 42.013 41.555 0.458 1
1 110 . 2 1 1 A 10 10 LEU N N 10 121.315 120.727 0.588 1
1 111 . 2 1 1 A 11 11 ARG H H 11 8.841 8.694 0.147 1
1 112 . 2 1 1 A 11 11 ARG HA H 11 3.524 3.845 -0.321 1
1 120 . 2 1 1 A 11 11 ARG C C 11 177.728 178.531 -0.803 1
1 121 . 2 1 1 A 11 11 ARG CA C 11 60.662 59.896 0.766 1
1 122 . 2 1 1 A 11 11 ARG CB C 11 30.618 30.079 0.539 1
1 126 . 2 1 1 A 11 11 ARG N N 11 119.774 119.745 0.029 1
1 128 . 2 1 1 A 12 12 ARG H H 12 7.988 7.785 0.203 1
1 129 . 2 1 1 A 12 12 ARG HA H 12 4.041 4.044 -0.003 1
1 137 . 2 1 1 A 12 12 ARG C C 12 178.452 178.158 0.294 1
1 138 . 2 1 1 A 12 12 ARG CA C 12 59.748 59.428 0.320 1
1 139 . 2 1 1 A 12 12 ARG CB C 12 30.414 30.116 0.298 1
1 143 . 2 1 1 A 12 12 ARG N N 12 115.529 119.330 -3.801 1
1 145 . 2 1 1 A 13 13 ALA H H 13 7.722 7.975 -0.253 1
1 146 . 2 1 1 A 13 13 ALA HA H 13 4.412 4.175 0.237 1
1 150 . 2 1 1 A 13 13 ALA C C 13 180.069 180.067 0.002 1
1 151 . 2 1 1 A 13 13 ALA CA C 13 54.990 55.041 -0.051 1
1 152 . 2 1 1 A 13 13 ALA CB C 13 18.654 18.148 0.506 1
1 153 . 2 1 1 A 13 13 ALA N N 13 119.900 121.475 -1.575 1
1 154 . 2 1 1 A 14 14 LEU H H 14 8.419 8.226 0.193 1
1 155 . 2 1 1 A 14 14 LEU HA H 14 4.418 4.092 0.326 1
1 165 . 2 1 1 A 14 14 LEU C C 14 180.574 179.256 1.318 1
1 166 . 2 1 1 A 14 14 LEU CA C 14 57.488 58.092 -0.604 1
1 167 . 2 1 1 A 14 14 LEU CB C 14 42.008 41.804 0.204 1
1 171 . 2 1 1 A 14 14 LEU N N 14 119.013 118.106 0.907 1
1 172 . 2 1 1 A 15 15 VAL H H 15 8.501 8.326 0.175 1
1 173 . 2 1 1 A 15 15 VAL HA H 15 3.929 3.615 0.314 1
1 181 . 2 1 1 A 15 15 VAL C C 15 178.956 177.672 1.284 1
1 182 . 2 1 1 A 15 15 VAL CA C 15 66.056 66.749 -0.693 1
1 183 . 2 1 1 A 15 15 VAL CB C 15 32.053 31.501 0.552 1
1 186 . 2 1 1 A 15 15 VAL N N 15 120.534 119.704 0.830 1
1 187 . 2 1 1 A 16 16 GLU H H 16 8.238 8.804 -0.566 1
1 188 . 2 1 1 A 16 16 GLU HA H 16 4.216 3.938 0.278 1
1 193 . 2 1 1 A 16 16 GLU C C 16 178.530 179.020 -0.490 1
1 194 . 2 1 1 A 16 16 GLU CA C 16 58.963 59.655 -0.692 1
1 195 . 2 1 1 A 16 16 GLU CB C 16 29.866 29.194 0.672 1
1 197 . 2 1 1 A 16 16 GLU N N 16 119.771 119.686 0.085 1
1 198 . 2 1 1 A 17 17 SER H H 17 7.808 8.013 -0.205 1
1 199 . 2 1 1 A 17 17 SER HA H 17 4.581 4.273 0.308 1
1 202 . 2 1 1 A 17 17 SER C C 17 174.239 174.585 -0.346 1
1 203 . 2 1 1 A 17 17 SER CA C 17 59.839 60.963 -1.124 1
1 204 . 2 1 1 A 17 17 SER CB C 17 64.127 63.445 0.682 1
1 205 . 2 1 1 A 17 17 SER N N 17 113.608 116.718 -3.110 1
1 206 . 2 1 1 A 18 18 ALA H H 18 7.809 7.533 0.276 1
1 207 . 2 1 1 A 18 18 ALA HA H 18 4.358 4.324 0.034 1
1 211 . 2 1 1 A 18 18 ALA C C 18 178.239 178.207 0.032 1
1 212 . 2 1 1 A 18 18 ALA CA C 18 52.975 51.898 1.077 1
1 213 . 2 1 1 A 18 18 ALA CB C 18 19.808 19.549 0.259 1
1 214 . 2 1 1 A 18 18 ALA N N 18 123.180 121.457 1.723 1
1 215 . 2 1 1 A 19 19 GLY H H 19 8.241 8.872 -0.631 1
1 216 . 2 1 1 A 19 19 GLY HA2 H 19 4.060 3.873 0.187 1
1 217 . 2 1 1 A 19 19 GLY HA3 H 19 4.060 3.881 0.179 1
1 218 . 2 1 1 A 19 19 GLY C C 19 174.390 173.144 1.246 1
1 219 . 2 1 1 A 19 19 GLY CA C 19 45.570 47.233 -1.663 1
1 220 . 2 1 1 A 19 19 GLY N N 19 107.414 107.959 -0.545 1
1 221 . 2 1 1 A 20 20 GLU H H 20 8.501 8.499 0.002 1
1 222 . 2 1 1 A 20 20 GLU HA H 20 4.481 4.651 -0.170 1
1 227 . 2 1 1 A 20 20 GLU C C 20 176.860 175.862 0.998 1
1 228 . 2 1 1 A 20 20 GLU CA C 20 56.810 56.250 0.560 1
1 229 . 2 1 1 A 20 20 GLU CB C 20 30.060 30.739 -0.679 1
1 231 . 2 1 1 A 20 20 GLU N N 20 120.517 124.158 -3.641 1
1 232 . 2 1 1 A 21 21 THR H H 21 8.251 8.668 -0.417 1
1 233 . 2 1 1 A 21 21 THR HA H 21 4.526 4.523 0.003 1
1 238 . 2 1 1 A 21 21 THR C C 21 174.520 174.969 -0.449 1
1 239 . 2 1 1 A 21 21 THR CA C 21 61.836 63.753 -1.917 1
1 240 . 2 1 1 A 21 21 THR CB C 21 70.007 69.716 0.291 1
1 242 . 2 1 1 A 21 21 THR N N 21 113.989 119.344 -5.355 1
1 243 . 2 1 1 A 22 22 ASP H H 22 8.497 8.144 0.353 1
1 244 . 2 1 1 A 22 22 ASP HA H 22 4.737 4.762 -0.025 1
1 247 . 2 1 1 A 22 22 ASP C C 22 176.877 176.407 0.470 1
1 248 . 2 1 1 A 22 22 ASP CA C 22 54.739 55.594 -0.855 1
1 249 . 2 1 1 A 22 22 ASP CB C 22 41.047 43.194 -2.147 1
1 250 . 2 1 1 A 22 22 ASP N N 22 122.136 119.831 2.305 1
1 251 . 2 1 1 A 23 23 GLY H H 23 8.499 7.908 0.591 1
1 252 . 2 1 1 A 23 23 GLY HA2 H 23 4.087 3.957 0.130 1
1 253 . 2 1 1 A 23 23 GLY HA3 H 23 4.087 3.982 0.105 1
1 254 . 2 1 1 A 23 23 GLY C C 23 174.775 174.427 0.348 1
1 255 . 2 1 1 A 23 23 GLY CA C 23 45.815 45.070 0.745 1
1 256 . 2 1 1 A 23 23 GLY N N 23 109.353 107.499 1.854 1
1 257 . 2 1 1 A 24 24 THR H H 24 8.151 8.427 -0.276 1
1 258 . 2 1 1 A 24 24 THR HA H 24 4.345 4.367 -0.022 1
1 263 . 2 1 1 A 24 24 THR C C 24 174.220 172.715 1.505 1
1 264 . 2 1 1 A 24 24 THR CA C 24 63.084 62.504 0.580 1
1 265 . 2 1 1 A 24 24 THR CB C 24 69.889 68.749 1.140 1
1 267 . 2 1 1 A 24 24 THR N N 24 115.906 114.443 1.463 1
1 268 . 2 1 1 A 25 25 ASP H H 25 8.617 8.529 0.088 1
1 269 . 2 1 1 A 25 25 ASP HA H 25 4.726 4.779 -0.053 1
1 272 . 2 1 1 A 25 25 ASP C C 25 176.172 175.824 0.348 1
1 273 . 2 1 1 A 25 25 ASP CA C 25 54.459 52.818 1.641 1
1 274 . 2 1 1 A 25 25 ASP CB C 25 41.038 39.507 1.531 1
1 275 . 2 1 1 A 25 25 ASP N N 25 123.841 122.688 1.153 1
1 276 . 2 1 1 A 26 26 LEU H H 26 8.468 8.844 -0.376 1
1 277 . 2 1 1 A 26 26 LEU HA H 26 4.375 4.388 -0.013 1
1 287 . 2 1 1 A 26 26 LEU C C 26 176.307 176.808 -0.501 1
1 288 . 2 1 1 A 26 26 LEU CA C 26 54.128 54.451 -0.323 1
1 289 . 2 1 1 A 26 26 LEU CB C 26 41.100 42.277 -1.177 1
1 293 . 2 1 1 A 26 26 LEU N N 26 123.615 125.765 -2.150 1
1 294 . 2 1 1 A 27 27 SER H H 27 8.207 7.648 0.559 1
1 295 . 2 1 1 A 27 27 SER HA H 27 4.303 4.290 0.013 1
1 298 . 2 1 1 A 27 27 SER C C 27 175.019 175.169 -0.150 1
1 299 . 2 1 1 A 27 27 SER CA C 27 59.818 59.934 -0.116 1
1 300 . 2 1 1 A 27 27 SER CB C 27 64.198 63.692 0.506 1
1 301 . 2 1 1 A 27 27 SER N N 27 115.102 115.656 -0.554 1
1 302 . 2 1 1 A 28 28 GLY H H 28 8.581 8.620 -0.039 1
1 303 . 2 1 1 A 28 28 GLY HA2 H 28 4.244 4.135 0.109 1
1 304 . 2 1 1 A 28 28 GLY HA3 H 28 3.890 4.139 -0.249 1
1 305 . 2 1 1 A 28 28 GLY C C 28 174.264 172.535 1.729 1
1 306 . 2 1 1 A 28 28 GLY CA C 28 45.393 44.153 1.240 1
1 307 . 2 1 1 A 28 28 GLY N N 28 111.287 111.132 0.155 1
1 308 . 2 1 1 A 29 29 ASP H H 29 8.680 8.423 0.257 1
1 309 . 2 1 1 A 29 29 ASP HA H 29 4.859 5.001 -0.142 1
1 312 . 2 1 1 A 29 29 ASP C C 29 176.461 176.383 0.078 1
1 313 . 2 1 1 A 29 29 ASP CA C 29 54.284 53.283 1.001 1
1 314 . 2 1 1 A 29 29 ASP CB C 29 39.716 40.982 -1.266 1
1 315 . 2 1 1 A 29 29 ASP N N 29 123.263 122.590 0.673 1
1 316 . 2 1 1 A 30 30 PHE H H 30 8.064 8.574 -0.510 1
1 317 . 2 1 1 A 30 30 PHE HA H 30 4.766 4.689 0.077 1
1 325 . 2 1 1 A 30 30 PHE C C 30 175.486 176.599 -1.113 1
1 326 . 2 1 1 A 30 30 PHE CA C 30 57.460 57.298 0.162 1
1 327 . 2 1 1 A 30 30 PHE CB C 30 40.521 39.401 1.120 1
1 333 . 2 1 1 A 30 30 PHE N N 30 122.340 122.932 -0.592 1
1 334 . 2 1 1 A 31 31 LEU H H 31 7.535 7.540 -0.005 1
1 335 . 2 1 1 A 31 31 LEU HA H 31 3.309 3.642 -0.333 1
1 345 . 2 1 1 A 31 31 LEU C C 31 176.442 177.467 -1.025 1
1 346 . 2 1 1 A 31 31 LEU CA C 31 57.841 57.259 0.582 1
1 347 . 2 1 1 A 31 31 LEU CB C 31 42.121 41.534 0.587 1
1 351 . 2 1 1 A 31 31 LEU N N 31 118.974 121.657 -2.683 1
1 352 . 2 1 1 A 32 32 ASP H H 32 8.081 7.516 0.565 1
1 353 . 2 1 1 A 32 32 ASP HA H 32 5.057 4.563 0.494 1
1 356 . 2 1 1 A 32 32 ASP C C 32 176.035 176.307 -0.272 1
1 357 . 2 1 1 A 32 32 ASP CA C 32 53.745 55.445 -1.700 1
1 358 . 2 1 1 A 32 32 ASP CB C 32 41.757 41.728 0.029 1
1 359 . 2 1 1 A 32 32 ASP N N 32 111.858 117.015 -5.157 1
1 360 . 2 1 1 A 33 33 LEU H H 33 7.223 7.498 -0.275 1
1 361 . 2 1 1 A 33 33 LEU HA H 33 4.315 4.180 0.135 1
1 371 . 2 1 1 A 33 33 LEU C C 33 174.834 175.906 -1.072 1
1 372 . 2 1 1 A 33 33 LEU CA C 33 54.484 54.673 -0.189 1
1 373 . 2 1 1 A 33 33 LEU CB C 33 42.469 41.705 0.764 1
1 377 . 2 1 1 A 33 33 LEU N N 33 122.072 122.383 -0.311 1
1 378 . 2 1 1 A 34 34 ARG H H 34 8.486 8.749 -0.263 1
1 379 . 2 1 1 A 34 34 ARG HA H 34 4.746 4.137 0.609 1
1 387 . 2 1 1 A 34 34 ARG C C 34 179.695 177.690 2.005 1
1 388 . 2 1 1 A 34 34 ARG CA C 34 55.460 56.405 -0.945 1
1 389 . 2 1 1 A 34 34 ARG CB C 34 29.981 30.427 -0.446 1
1 393 . 2 1 1 A 34 34 ARG N N 34 116.268 125.021 -8.753 1
1 395 . 2 1 1 A 35 35 PHE H H 35 8.453 8.094 0.359 1
1 396 . 2 1 1 A 35 35 PHE HA H 35 4.398 4.197 0.201 1
1 404 . 2 1 1 A 35 35 PHE C C 35 178.728 178.007 0.721 1
1 405 . 2 1 1 A 35 35 PHE CA C 35 62.994 61.042 1.952 1
1 406 . 2 1 1 A 35 35 PHE CB C 35 37.964 38.481 -0.517 1
1 412 . 2 1 1 A 35 35 PHE N N 35 123.273 122.090 1.183 1
1 413 . 2 1 1 A 36 36 GLU H H 36 9.540 8.514 1.026 1
1 414 . 2 1 1 A 36 36 GLU HA H 36 4.357 4.112 0.245 1
1 419 . 2 1 1 A 36 36 GLU C C 36 178.636 178.184 0.452 1
1 420 . 2 1 1 A 36 36 GLU CA C 36 59.160 59.864 -0.704 1
1 421 . 2 1 1 A 36 36 GLU CB C 36 29.610 29.355 0.255 1
1 423 . 2 1 1 A 36 36 GLU N N 36 117.074 119.791 -2.717 1
1 424 . 2 1 1 A 37 37 ASP H H 37 7.532 7.788 -0.256 1
1 425 . 2 1 1 A 37 37 ASP HA H 37 4.811 4.440 0.371 1
1 428 . 2 1 1 A 37 37 ASP C C 37 177.974 177.949 0.025 1
1 429 . 2 1 1 A 37 37 ASP CA C 37 56.496 56.738 -0.242 1
1 430 . 2 1 1 A 37 37 ASP CB C 37 41.271 41.062 0.209 1
1 431 . 2 1 1 A 37 37 ASP N N 37 118.229 119.090 -0.861 1
1 432 . 2 1 1 A 38 38 ILE H H 38 7.728 7.512 0.216 1
1 433 . 2 1 1 A 38 38 ILE HA H 38 4.676 4.228 0.448 1
1 443 . 2 1 1 A 38 38 ILE C C 38 176.102 176.061 0.041 1
1 444 . 2 1 1 A 38 38 ILE CA C 38 61.973 60.649 1.324 1
1 445 . 2 1 1 A 38 38 ILE CB C 38 38.682 37.377 1.305 1
1 449 . 2 1 1 A 38 38 ILE N N 38 112.806 111.708 1.098 1
1 450 . 2 1 1 A 39 39 GLY H H 39 7.735 7.989 -0.254 1
1 451 . 2 1 1 A 39 39 GLY HA2 H 39 4.271 3.983 0.288 1
1 452 . 2 1 1 A 39 39 GLY HA3 H 39 3.898 3.989 -0.091 1
1 453 . 2 1 1 A 39 39 GLY C C 39 174.444 174.282 0.162 1
1 454 . 2 1 1 A 39 39 GLY CA C 39 46.438 46.216 0.222 1
1 455 . 2 1 1 A 39 39 GLY N N 39 107.120 110.777 -3.657 1
1 456 . 2 1 1 A 40 40 TYR H H 40 8.081 8.295 -0.214 1
1 457 . 2 1 1 A 40 40 TYR HA H 40 4.586 4.749 -0.163 1
1 464 . 2 1 1 A 40 40 TYR C C 40 174.461 175.310 -0.849 1
1 465 . 2 1 1 A 40 40 TYR CA C 40 58.185 57.644 0.541 1
1 466 . 2 1 1 A 40 40 TYR CB C 40 40.424 40.633 -0.209 1
1 471 . 2 1 1 A 40 40 TYR N N 40 121.688 118.503 3.185 1
1 472 . 2 1 1 A 41 41 ASP H H 41 8.040 8.843 -0.803 1
1 473 . 2 1 1 A 41 41 ASP HA H 41 4.727 4.823 -0.096 1
1 476 . 2 1 1 A 41 41 ASP C C 41 175.980 177.308 -1.328 1
1 477 . 2 1 1 A 41 41 ASP CA C 41 52.812 54.171 -1.359 1
1 478 . 2 1 1 A 41 41 ASP CB C 41 42.068 41.693 0.375 1
1 479 . 2 1 1 A 41 41 ASP N N 41 124.041 124.703 -0.662 1
1 480 . 2 1 1 A 42 42 SER H H 42 8.561 9.037 -0.476 1
1 481 . 2 1 1 A 42 42 SER HA H 42 4.198 4.028 0.170 1
1 484 . 2 1 1 A 42 42 SER C C 42 176.472 176.769 -0.297 1
1 485 . 2 1 1 A 42 42 SER CA C 42 62.309 62.186 0.123 1
1 486 . 2 1 1 A 42 42 SER CB C 42 62.943 62.433 0.510 1
1 487 . 2 1 1 A 42 42 SER N N 42 114.493 118.434 -3.941 1
1 488 . 2 1 1 A 43 43 LEU H H 43 7.804 8.113 -0.309 1
1 489 . 2 1 1 A 43 43 LEU HA H 43 4.270 4.053 0.217 1
1 499 . 2 1 1 A 43 43 LEU C C 43 179.551 178.332 1.219 1
1 500 . 2 1 1 A 43 43 LEU CA C 43 58.369 57.989 0.380 1
1 501 . 2 1 1 A 43 43 LEU CB C 43 41.057 41.749 -0.692 1
1 505 . 2 1 1 A 43 43 LEU N N 43 122.459 124.586 -2.127 1
1 506 . 2 1 1 A 44 44 ALA H H 44 8.064 8.435 -0.371 1
1 507 . 2 1 1 A 44 44 ALA HA H 44 4.334 4.012 0.322 1
1 511 . 2 1 1 A 44 44 ALA C C 44 181.733 179.827 1.906 1
1 512 . 2 1 1 A 44 44 ALA CA C 44 54.987 55.093 -0.106 1
1 513 . 2 1 1 A 44 44 ALA CB C 44 18.500 18.215 0.285 1
1 514 . 2 1 1 A 44 44 ALA N N 44 123.223 120.797 2.426 1
1 515 . 2 1 1 A 45 45 LEU H H 45 8.422 8.356 0.066 1
1 516 . 2 1 1 A 45 45 LEU HA H 45 3.907 4.120 -0.213 1
1 526 . 2 1 1 A 45 45 LEU C C 45 178.613 178.644 -0.031 1
1 527 . 2 1 1 A 45 45 LEU CA C 45 58.419 57.873 0.546 1
1 528 . 2 1 1 A 45 45 LEU CB C 45 41.643 41.463 0.180 1
1 532 . 2 1 1 A 45 45 LEU N N 45 121.714 120.363 1.351 1
1 533 . 2 1 1 A 46 46 MET H H 46 8.344 8.574 -0.230 1
1 534 . 2 1 1 A 46 46 MET HA H 46 4.259 4.064 0.195 1
1 539 . 2 1 1 A 46 46 MET C C 46 179.856 178.462 1.394 1
1 540 . 2 1 1 A 46 46 MET CA C 46 58.769 58.715 0.054 1
1 541 . 2 1 1 A 46 46 MET CB C 46 32.022 32.399 -0.377 1
1 543 . 2 1 1 A 46 46 MET N N 46 119.039 117.076 1.963 1
1 544 . 2 1 1 A 47 47 GLU H H 47 8.414 8.382 0.032 1
1 545 . 2 1 1 A 47 47 GLU HA H 47 4.257 4.062 0.195 1
1 550 . 2 1 1 A 47 47 GLU C C 47 179.208 179.264 -0.056 1
1 551 . 2 1 1 A 47 47 GLU CA C 47 59.504 59.312 0.192 1
1 552 . 2 1 1 A 47 47 GLU CB C 47 29.229 29.189 0.040 1
1 554 . 2 1 1 A 47 47 GLU N N 47 121.231 120.950 0.281 1
1 555 . 2 1 1 A 48 48 THR H H 48 8.329 7.808 0.521 1
1 556 . 2 1 1 A 48 48 THR HA H 48 3.962 4.441 -0.479 1
1 561 . 2 1 1 A 48 48 THR C C 48 176.334 176.593 -0.259 1
1 562 . 2 1 1 A 48 48 THR CA C 48 67.882 66.637 1.245 1
1 563 . 2 1 1 A 48 48 THR CB C 48 68.478 68.652 -0.174 1
1 565 . 2 1 1 A 48 48 THR N N 48 118.600 116.902 1.698 1
1 566 . 2 1 1 A 49 49 ALA H H 49 8.756 8.610 0.146 1
1 567 . 2 1 1 A 49 49 ALA HA H 49 3.963 3.974 -0.011 1
1 571 . 2 1 1 A 49 49 ALA C C 49 178.615 179.700 -1.085 1
1 572 . 2 1 1 A 49 49 ALA CA C 49 56.227 55.070 1.157 1
1 573 . 2 1 1 A 49 49 ALA CB C 49 17.499 18.316 -0.817 1
1 574 . 2 1 1 A 49 49 ALA N N 49 123.599 123.134 0.465 1
1 575 . 2 1 1 A 50 50 ALA H H 50 8.191 7.959 0.232 1
1 576 . 2 1 1 A 50 50 ALA HA H 50 4.281 4.011 0.270 1
1 580 . 2 1 1 A 50 50 ALA C C 50 181.272 180.197 1.075 1
1 581 . 2 1 1 A 50 50 ALA CA C 50 55.488 55.208 0.280 1
1 582 . 2 1 1 A 50 50 ALA CB C 50 18.107 18.597 -0.490 1
1 583 . 2 1 1 A 50 50 ALA N N 50 119.558 120.072 -0.514 1
1 584 . 2 1 1 A 51 51 ARG H H 51 8.146 7.941 0.205 1
1 585 . 2 1 1 A 51 51 ARG HA H 51 4.257 4.038 0.219 1
1 593 . 2 1 1 A 51 51 ARG C C 51 179.815 178.584 1.231 1
1 594 . 2 1 1 A 51 51 ARG CA C 51 59.591 59.097 0.494 1
1 595 . 2 1 1 A 51 51 ARG CB C 51 30.400 30.083 0.317 1
1 599 . 2 1 1 A 51 51 ARG N N 51 119.722 118.901 0.821 1
1 601 . 2 1 1 A 52 52 LEU H H 52 8.432 7.851 0.581 1
1 602 . 2 1 1 A 52 52 LEU HA H 52 4.330 4.105 0.225 1
1 612 . 2 1 1 A 52 52 LEU C C 52 179.152 179.448 -0.296 1
1 613 . 2 1 1 A 52 52 LEU CA C 52 58.139 58.174 -0.035 1
1 614 . 2 1 1 A 52 52 LEU CB C 52 42.615 41.153 1.462 1
1 618 . 2 1 1 A 52 52 LEU N N 52 120.470 119.884 0.586 1
1 619 . 2 1 1 A 53 53 GLU H H 53 8.989 8.487 0.502 1
1 620 . 2 1 1 A 53 53 GLU HA H 53 4.105 3.974 0.131 1
1 625 . 2 1 1 A 53 53 GLU C C 53 179.370 179.056 0.314 1
1 626 . 2 1 1 A 53 53 GLU CA C 53 60.145 59.850 0.295 1
1 627 . 2 1 1 A 53 53 GLU CB C 53 29.184 29.359 -0.175 1
1 629 . 2 1 1 A 53 53 GLU N N 53 119.668 118.923 0.745 1
1 630 . 2 1 1 A 54 54 SER H H 54 8.028 8.244 -0.216 1
1 631 . 2 1 1 A 54 54 SER HA H 54 4.392 4.133 0.259 1
1 634 . 2 1 1 A 54 54 SER C C 54 176.891 175.941 0.950 1
1 635 . 2 1 1 A 54 54 SER CA C 54 61.162 61.774 -0.612 1
1 636 . 2 1 1 A 54 54 SER CB C 54 63.222 62.815 0.407 1
1 637 . 2 1 1 A 54 54 SER N N 54 112.842 116.647 -3.805 1
1 638 . 2 1 1 A 55 55 ARG H H 55 8.070 8.514 -0.444 1
1 639 . 2 1 1 A 55 55 ARG HA H 55 4.111 3.906 0.205 1
1 647 . 2 1 1 A 55 55 ARG C C 55 177.830 177.243 0.587 1
1 648 . 2 1 1 A 55 55 ARG CA C 55 58.824 58.641 0.183 1
1 649 . 2 1 1 A 55 55 ARG CB C 55 30.829 29.537 1.292 1
1 653 . 2 1 1 A 55 55 ARG N N 55 120.550 121.355 -0.805 1
1 655 . 2 1 1 A 56 56 TYR H H 56 8.171 7.701 0.470 1
1 656 . 2 1 1 A 56 56 TYR HA H 56 4.685 4.745 -0.060 1
1 663 . 2 1 1 A 56 56 TYR C C 56 176.027 175.660 0.367 1
1 664 . 2 1 1 A 56 56 TYR CA C 56 59.110 57.331 1.779 1
1 665 . 2 1 1 A 56 56 TYR CB C 56 39.339 38.660 0.679 1
1 670 . 2 1 1 A 56 56 TYR N N 56 113.561 114.594 -1.033 1
1 671 . 2 1 1 A 57 57 GLY H H 57 7.998 7.691 0.307 1
1 672 . 2 1 1 A 57 57 GLY HA2 H 57 4.105 3.963 0.142 1
1 673 . 2 1 1 A 57 57 GLY HA3 H 57 4.105 3.971 0.134 1
1 674 . 2 1 1 A 57 57 GLY C C 57 174.600 173.618 0.982 1
1 675 . 2 1 1 A 57 57 GLY CA C 57 47.349 47.142 0.207 1
1 676 . 2 1 1 A 57 57 GLY N N 57 109.470 110.042 -0.572 1
1 677 . 2 1 1 A 58 58 VAL H H 58 7.515 7.784 -0.269 1
1 678 . 2 1 1 A 58 58 VAL HA H 58 4.694 4.817 -0.123 1
1 686 . 2 1 1 A 58 58 VAL C C 58 174.016 173.946 0.070 1
1 687 . 2 1 1 A 58 58 VAL CA C 58 59.282 59.436 -0.154 1
1 688 . 2 1 1 A 58 58 VAL CB C 58 34.791 35.196 -0.405 1
1 691 . 2 1 1 A 58 58 VAL N N 58 112.406 119.509 -7.103 1
1 692 . 2 1 1 A 59 59 SER H H 59 8.489 8.923 -0.434 1
1 693 . 2 1 1 A 59 59 SER HA H 59 4.847 5.760 -0.913 1
1 696 . 2 1 1 A 59 59 SER C C 59 173.643 173.528 0.115 1
1 697 . 2 1 1 A 59 59 SER CA C 59 57.213 56.630 0.583 1
1 698 . 2 1 1 A 59 59 SER CB C 59 64.285 65.906 -1.621 1
1 699 . 2 1 1 A 59 59 SER N N 59 116.724 117.039 -0.315 1
1 700 . 2 1 1 A 60 60 ILE H H 60 8.224 9.325 -1.101 1
1 701 . 2 1 1 A 60 60 ILE HA H 60 4.676 4.599 0.077 1
1 711 . 2 1 1 A 60 60 ILE CA C 60 57.702 57.291 0.411 1
1 712 . 2 1 1 A 60 60 ILE CB C 60 40.520 41.076 -0.556 1
1 716 . 2 1 1 A 60 60 ILE N N 60 125.582 124.502 1.080 1
1 717 . 2 1 1 A 61 61 PRO HA H 61 4.543 4.588 -0.045 1
1 724 . 2 1 1 A 61 61 PRO C C 61 177.547 177.684 -0.137 1
1 725 . 2 1 1 A 61 61 PRO CA C 61 63.523 63.100 0.423 1
1 726 . 2 1 1 A 61 61 PRO CB C 61 32.704 31.525 1.179 1
1 729 . 2 1 1 A 62 62 ASP H H 62 8.857 8.704 0.153 1
1 730 . 2 1 1 A 62 62 ASP HA H 62 4.447 4.291 0.156 1
1 733 . 2 1 1 A 62 62 ASP C C 62 177.504 178.078 -0.574 1
1 734 . 2 1 1 A 62 62 ASP CA C 62 57.105 57.539 -0.434 1
1 735 . 2 1 1 A 62 62 ASP CB C 62 40.668 40.669 -0.001 1
1 736 . 2 1 1 A 62 62 ASP N N 62 123.624 123.303 0.321 1
1 737 . 2 1 1 A 63 63 ASP H H 63 8.691 8.198 0.493 1
1 738 . 2 1 1 A 63 63 ASP HA H 63 4.508 4.411 0.097 1
1 741 . 2 1 1 A 63 63 ASP C C 63 177.468 178.746 -1.278 1
1 742 . 2 1 1 A 63 63 ASP CA C 63 55.267 57.577 -2.310 1
1 743 . 2 1 1 A 63 63 ASP CB C 63 39.691 41.581 -1.890 1
1 744 . 2 1 1 A 63 63 ASP N N 63 116.744 119.275 -2.531 1
1 745 . 2 1 1 A 64 64 VAL H H 64 7.388 7.765 -0.377 1
1 746 . 2 1 1 A 64 64 VAL HA H 64 3.789 3.580 0.209 1
1 754 . 2 1 1 A 64 64 VAL C C 64 177.793 178.216 -0.423 1
1 755 . 2 1 1 A 64 64 VAL CA C 64 65.251 66.485 -1.234 1
1 756 . 2 1 1 A 64 64 VAL CB C 64 32.347 31.389 0.958 1
1 759 . 2 1 1 A 64 64 VAL N N 64 119.303 118.913 0.390 1
1 760 . 2 1 1 A 65 65 ALA H H 65 8.212 7.916 0.296 1
1 761 . 2 1 1 A 65 65 ALA HA H 65 3.967 4.072 -0.105 1
1 765 . 2 1 1 A 65 65 ALA C C 65 178.005 178.689 -0.684 1
1 766 . 2 1 1 A 65 65 ALA CA C 65 55.196 55.025 0.171 1
1 767 . 2 1 1 A 65 65 ALA CB C 65 18.373 18.520 -0.147 1
1 768 . 2 1 1 A 65 65 ALA N N 65 122.060 121.368 0.692 1
1 769 . 2 1 1 A 66 66 GLY H H 66 7.995 7.616 0.379 1
1 770 . 2 1 1 A 66 66 GLY HA2 H 66 4.133 3.992 0.141 1
1 771 . 2 1 1 A 66 66 GLY HA3 H 66 3.912 4.002 -0.090 1
1 772 . 2 1 1 A 66 66 GLY C C 66 174.615 174.451 0.164 1
1 773 . 2 1 1 A 66 66 GLY CA C 66 45.925 45.387 0.538 1
1 774 . 2 1 1 A 66 66 GLY N N 66 99.445 105.443 -5.998 1
1 775 . 2 1 1 A 67 67 ARG H H 67 7.478 8.031 -0.553 1
1 776 . 2 1 1 A 67 67 ARG HA H 67 4.659 4.476 0.183 1
1 784 . 2 1 1 A 67 67 ARG C C 67 176.470 176.048 0.422 1
1 785 . 2 1 1 A 67 67 ARG CA C 67 55.647 55.791 -0.144 1
1 786 . 2 1 1 A 67 67 ARG CB C 67 31.843 31.496 0.347 1
1 790 . 2 1 1 A 67 67 ARG N N 67 116.761 118.667 -1.906 1
1 792 . 2 1 1 A 68 68 VAL H H 68 7.244 7.136 0.108 1
1 793 . 2 1 1 A 68 68 VAL HA H 68 4.437 4.191 0.246 1
1 801 . 2 1 1 A 68 68 VAL C C 68 175.250 175.561 -0.311 1
1 802 . 2 1 1 A 68 68 VAL CA C 68 61.919 61.836 0.083 1
1 803 . 2 1 1 A 68 68 VAL CB C 68 33.329 31.831 1.498 1
1 806 . 2 1 1 A 68 68 VAL N N 68 114.725 117.929 -3.204 1
1 807 . 2 1 1 A 69 69 ASP H H 69 9.180 9.127 0.053 1
1 808 . 2 1 1 A 69 69 ASP HA H 69 5.272 4.841 0.431 1
1 811 . 2 1 1 A 69 69 ASP C C 69 177.035 176.035 1.000 1
1 812 . 2 1 1 A 69 69 ASP CA C 69 55.862 55.669 0.193 1
1 813 . 2 1 1 A 69 69 ASP CB C 69 44.421 42.739 1.682 1
1 814 . 2 1 1 A 69 69 ASP N N 69 120.929 125.838 -4.909 1
1 815 . 2 1 1 A 70 70 THR H H 70 7.490 7.769 -0.279 1
1 816 . 2 1 1 A 70 70 THR HA H 70 4.969 4.378 0.591 1
1 821 . 2 1 1 A 70 70 THR CA C 70 57.776 58.138 -0.362 1
1 822 . 2 1 1 A 70 70 THR CB C 70 71.416 70.221 1.195 1
1 824 . 2 1 1 A 70 70 THR N N 70 107.879 108.343 -0.464 1
1 825 . 2 1 1 A 71 71 PRO HA H 71 4.247 4.292 -0.045 1
1 832 . 2 1 1 A 71 71 PRO C C 71 177.413 178.165 -0.752 1
1 833 . 2 1 1 A 71 71 PRO CA C 71 65.812 65.173 0.639 1
1 834 . 2 1 1 A 71 71 PRO CB C 71 32.647 31.371 1.276 1
1 837 . 2 1 1 A 72 72 ARG H H 72 9.000 8.501 0.499 1
1 838 . 2 1 1 A 72 72 ARG HA H 72 3.619 3.981 -0.362 1
1 850 . 2 1 1 A 72 72 ARG C C 72 177.530 178.583 -1.053 1
1 851 . 2 1 1 A 72 72 ARG CA C 72 60.211 59.037 1.174 1
1 852 . 2 1 1 A 72 72 ARG CB C 72 30.433 29.838 0.595 1
1 856 . 2 1 1 A 72 72 ARG N N 72 117.747 116.647 1.100 1
1 860 . 2 1 1 A 73 73 GLU H H 73 7.840 7.776 0.064 1
1 861 . 2 1 1 A 73 73 GLU HA H 73 4.245 4.036 0.209 1
1 866 . 2 1 1 A 73 73 GLU C C 73 180.139 179.217 0.922 1
1 867 . 2 1 1 A 73 73 GLU CA C 73 59.071 58.729 0.342 1
1 868 . 2 1 1 A 73 73 GLU CB C 73 30.230 29.612 0.618 1
1 870 . 2 1 1 A 73 73 GLU N N 73 116.639 119.331 -2.692 1
1 871 . 2 1 1 A 74 74 LEU H H 74 7.693 7.684 0.009 1
1 872 . 2 1 1 A 74 74 LEU HA H 74 4.324 4.070 0.254 1
1 882 . 2 1 1 A 74 74 LEU C C 74 177.000 178.163 -1.163 1
1 883 . 2 1 1 A 74 74 LEU CA C 74 58.123 58.104 0.019 1
1 884 . 2 1 1 A 74 74 LEU CB C 74 42.242 41.837 0.405 1
1 888 . 2 1 1 A 74 74 LEU N N 74 120.218 122.044 -1.826 1
1 889 . 2 1 1 A 75 75 LEU H H 75 8.731 8.594 0.137 1
1 890 . 2 1 1 A 75 75 LEU HA H 75 3.904 3.974 -0.070 1
1 900 . 2 1 1 A 75 75 LEU C C 75 178.122 177.941 0.181 1
1 901 . 2 1 1 A 75 75 LEU CA C 75 58.462 58.367 0.095 1
1 902 . 2 1 1 A 75 75 LEU CB C 75 42.400 41.370 1.030 1
1 906 . 2 1 1 A 75 75 LEU N N 75 121.211 119.734 1.477 1
1 907 . 2 1 1 A 76 76 ASP H H 76 8.703 8.246 0.457 1
1 908 . 2 1 1 A 76 76 ASP HA H 76 4.497 4.267 0.230 1
1 911 . 2 1 1 A 76 76 ASP C C 76 180.101 178.347 1.754 1
1 912 . 2 1 1 A 76 76 ASP CA C 76 57.325 57.675 -0.350 1
1 913 . 2 1 1 A 76 76 ASP CB C 76 39.936 42.070 -2.134 1
1 914 . 2 1 1 A 76 76 ASP N N 76 117.466 118.787 -1.321 1
1 915 . 2 1 1 A 77 77 LEU H H 77 8.019 7.566 0.453 1
1 916 . 2 1 1 A 77 77 LEU HA H 77 4.282 4.009 0.273 1
1 926 . 2 1 1 A 77 77 LEU C C 77 179.840 178.240 1.600 1
1 927 . 2 1 1 A 77 77 LEU CA C 77 58.417 58.443 -0.026 1
1 928 . 2 1 1 A 77 77 LEU CB C 77 42.856 41.742 1.114 1
1 932 . 2 1 1 A 77 77 LEU N N 77 122.891 120.114 2.777 1
1 933 . 2 1 1 A 78 78 ILE H H 78 8.281 8.127 0.154 1
1 934 . 2 1 1 A 78 78 ILE HA H 78 3.756 3.542 0.214 1
1 944 . 2 1 1 A 78 78 ILE C C 78 177.655 178.408 -0.753 1
1 945 . 2 1 1 A 78 78 ILE CA C 78 64.638 64.921 -0.283 1
1 946 . 2 1 1 A 78 78 ILE CB C 78 37.325 37.156 0.169 1
1 950 . 2 1 1 A 78 78 ILE N N 78 119.758 119.639 0.119 1
1 951 . 2 1 1 A 79 79 ASN H H 79 8.880 9.194 -0.314 1
1 952 . 2 1 1 A 79 79 ASN HA H 79 4.918 4.444 0.474 1
1 957 . 2 1 1 A 79 79 ASN C C 79 179.481 179.130 0.351 1
1 958 . 2 1 1 A 79 79 ASN CA C 79 55.446 55.778 -0.332 1
1 959 . 2 1 1 A 79 79 ASN CB C 79 37.299 37.717 -0.418 1
1 960 . 2 1 1 A 79 79 ASN N N 79 117.848 119.186 -1.338 1
1 962 . 2 1 1 A 80 80 GLY H H 80 8.441 8.471 -0.030 1
1 963 . 2 1 1 A 80 80 GLY HA2 H 80 4.036 3.794 0.242 1
1 964 . 2 1 1 A 80 80 GLY HA3 H 80 4.036 3.797 0.239 1
1 965 . 2 1 1 A 80 80 GLY C C 80 175.746 176.383 -0.637 1
1 966 . 2 1 1 A 80 80 GLY CA C 80 47.065 46.953 0.112 1
1 967 . 2 1 1 A 80 80 GLY N N 80 110.120 108.918 1.202 1
1 968 . 2 1 1 A 81 81 ALA H H 81 7.604 7.986 -0.382 1
1 969 . 2 1 1 A 81 81 ALA HA H 81 4.467 3.963 0.504 1
1 973 . 2 1 1 A 81 81 ALA C C 81 180.565 180.016 0.549 1
1 974 . 2 1 1 A 81 81 ALA CA C 81 54.298 54.831 -0.533 1
1 975 . 2 1 1 A 81 81 ALA CB C 81 18.530 18.797 -0.267 1
1 976 . 2 1 1 A 81 81 ALA N N 81 124.070 125.120 -1.050 1
1 977 . 2 1 1 A 82 82 LEU H H 82 8.299 8.661 -0.362 1
1 978 . 2 1 1 A 82 82 LEU HA H 82 4.219 4.008 0.211 1
1 988 . 2 1 1 A 82 82 LEU C C 82 178.837 179.581 -0.744 1
1 989 . 2 1 1 A 82 82 LEU CA C 82 56.967 57.557 -0.590 1
1 990 . 2 1 1 A 82 82 LEU CB C 82 42.610 41.231 1.379 1
1 994 . 2 1 1 A 82 82 LEU N N 82 119.823 118.958 0.865 1
1 995 . 2 1 1 A 83 83 ALA H H 83 7.964 7.700 0.264 1
1 996 . 2 1 1 A 83 83 ALA HA H 83 4.298 4.032 0.266 1
1 1000 . 2 1 1 A 83 83 ALA C C 83 178.739 178.787 -0.048 1
1 1001 . 2 1 1 A 83 83 ALA CA C 83 53.965 54.728 -0.763 1
1 1002 . 2 1 1 A 83 83 ALA CB C 83 18.917 18.262 0.655 1
1 1003 . 2 1 1 A 83 83 ALA N N 83 121.306 122.393 -1.087 1
1 1004 . 2 1 1 A 84 84 GLU H H 84 7.746 7.924 -0.178 1
1 1005 . 2 1 1 A 84 84 GLU HA H 84 4.396 4.266 0.130 1
1 1010 . 2 1 1 A 84 84 GLU C C 84 176.347 177.709 -1.362 1
1 1011 . 2 1 1 A 84 84 GLU CA C 84 56.739 56.985 -0.246 1
1 1012 . 2 1 1 A 84 84 GLU CB C 84 30.126 29.714 0.412 1
1 1014 . 2 1 1 A 84 84 GLU N N 84 117.080 115.827 1.253 1
1 1015 . 2 1 1 A 85 85 ALA H H 85 7.832 7.794 0.038 1
1 1016 . 2 1 1 A 85 85 ALA HA H 85 4.485 4.456 0.029 1
1 1020 . 2 1 1 A 85 85 ALA C C 85 176.564 176.375 0.189 1
1 1021 . 2 1 1 A 85 85 ALA CA C 85 52.485 51.811 0.674 1
1 1022 . 2 1 1 A 85 85 ALA CB C 85 19.529 18.829 0.700 1
1 1023 . 2 1 1 A 85 85 ALA N N 85 124.010 122.279 1.731 1
1 1 . 3 1 1 A 2 2 ALA HA H 2 4.297 4.340 -0.043 1
1 5 . 3 1 1 A 2 2 ALA C C 2 173.708 177.504 -3.796 1
1 6 . 3 1 1 A 2 2 ALA CA C 2 51.945 54.676 -2.731 1
1 7 . 3 1 1 A 2 2 ALA CB C 2 19.979 19.899 0.080 1
1 8 . 3 1 1 A 3 3 THR H H 3 8.680 7.980 0.700 1
1 9 . 3 1 1 A 3 3 THR HA H 3 4.411 4.511 -0.100 1
1 14 . 3 1 1 A 3 3 THR C C 3 172.914 173.912 -0.998 1
1 15 . 3 1 1 A 3 3 THR CA C 3 62.665 62.251 0.414 1
1 16 . 3 1 1 A 3 3 THR CB C 3 69.902 68.479 1.423 1
1 18 . 3 1 1 A 3 3 THR N N 3 117.458 112.517 4.941 1
1 19 . 3 1 1 A 4 4 LEU H H 4 8.145 8.626 -0.481 1
1 20 . 3 1 1 A 4 4 LEU HA H 4 4.384 4.786 -0.402 1
1 30 . 3 1 1 A 4 4 LEU C C 4 177.176 174.839 2.337 1
1 31 . 3 1 1 A 4 4 LEU CA C 4 54.765 53.537 1.228 1
1 32 . 3 1 1 A 4 4 LEU CB C 4 42.790 45.076 -2.286 1
1 36 . 3 1 1 A 4 4 LEU N N 4 124.380 126.995 -2.615 1
1 37 . 3 1 1 A 5 5 LEU H H 5 9.419 8.683 0.736 1
1 38 . 3 1 1 A 5 5 LEU HA H 5 4.536 4.941 -0.405 1
1 48 . 3 1 1 A 5 5 LEU C C 5 177.849 176.658 1.191 1
1 49 . 3 1 1 A 5 5 LEU CA C 5 55.488 53.600 1.888 1
1 50 . 3 1 1 A 5 5 LEU CB C 5 42.700 42.548 0.152 1
1 54 . 3 1 1 A 5 5 LEU N N 5 124.415 123.840 0.575 1
1 55 . 3 1 1 A 6 6 THR H H 6 8.995 8.526 0.469 1
1 56 . 3 1 1 A 6 6 THR HA H 6 4.783 4.791 -0.008 1
1 61 . 3 1 1 A 6 6 THR C C 6 175.943 176.259 -0.316 1
1 62 . 3 1 1 A 6 6 THR CA C 6 59.961 59.971 -0.010 1
1 63 . 3 1 1 A 6 6 THR CB C 6 72.429 70.836 1.593 1
1 65 . 3 1 1 A 6 6 THR N N 6 114.757 116.070 -1.313 1
1 66 . 3 1 1 A 7 7 THR H H 7 8.851 8.905 -0.054 1
1 67 . 3 1 1 A 7 7 THR HA H 7 3.881 3.931 -0.050 1
1 72 . 3 1 1 A 7 7 THR C C 7 176.566 175.933 0.633 1
1 73 . 3 1 1 A 7 7 THR CA C 7 67.277 67.023 0.254 1
1 74 . 3 1 1 A 7 7 THR CB C 7 68.542 68.563 -0.021 1
1 76 . 3 1 1 A 7 7 THR N N 7 115.540 117.018 -1.478 1
1 77 . 3 1 1 A 8 8 ASP H H 8 8.279 8.362 -0.083 1
1 78 . 3 1 1 A 8 8 ASP HA H 8 4.638 4.330 0.308 1
1 81 . 3 1 1 A 8 8 ASP C C 8 178.553 178.086 0.467 1
1 82 . 3 1 1 A 8 8 ASP CA C 8 57.738 57.998 -0.260 1
1 83 . 3 1 1 A 8 8 ASP CB C 8 41.219 41.749 -0.530 1
1 84 . 3 1 1 A 8 8 ASP N N 8 119.967 121.531 -1.564 1
1 85 . 3 1 1 A 9 9 ASP H H 9 7.905 7.718 0.187 1
1 86 . 3 1 1 A 9 9 ASP HA H 9 4.573 4.509 0.064 1
1 89 . 3 1 1 A 9 9 ASP C C 9 179.411 178.874 0.537 1
1 90 . 3 1 1 A 9 9 ASP CA C 9 57.667 57.514 0.153 1
1 91 . 3 1 1 A 9 9 ASP CB C 9 41.453 40.590 0.863 1
1 92 . 3 1 1 A 9 9 ASP N N 9 120.222 119.102 1.120 1
1 93 . 3 1 1 A 10 10 LEU H H 10 8.097 8.270 -0.173 1
1 94 . 3 1 1 A 10 10 LEU HA H 10 4.225 4.154 0.071 1
1 104 . 3 1 1 A 10 10 LEU C C 10 177.475 178.492 -1.017 1
1 105 . 3 1 1 A 10 10 LEU CA C 10 57.959 58.231 -0.272 1
1 106 . 3 1 1 A 10 10 LEU CB C 10 42.013 41.525 0.488 1
1 110 . 3 1 1 A 10 10 LEU N N 10 121.315 120.762 0.553 1
1 111 . 3 1 1 A 11 11 ARG H H 11 8.841 8.538 0.303 1
1 112 . 3 1 1 A 11 11 ARG HA H 11 3.524 3.521 0.003 1
1 120 . 3 1 1 A 11 11 ARG C C 11 177.728 178.810 -1.082 1
1 121 . 3 1 1 A 11 11 ARG CA C 11 60.662 59.726 0.936 1
1 122 . 3 1 1 A 11 11 ARG CB C 11 30.618 29.783 0.835 1
1 126 . 3 1 1 A 11 11 ARG N N 11 119.774 119.477 0.297 1
1 128 . 3 1 1 A 12 12 ARG H H 12 7.988 7.872 0.116 1
1 129 . 3 1 1 A 12 12 ARG HA H 12 4.041 4.046 -0.005 1
1 137 . 3 1 1 A 12 12 ARG C C 12 178.452 178.929 -0.477 1
1 138 . 3 1 1 A 12 12 ARG CA C 12 59.748 59.188 0.560 1
1 139 . 3 1 1 A 12 12 ARG CB C 12 30.414 30.100 0.314 1
1 143 . 3 1 1 A 12 12 ARG N N 12 115.529 118.762 -3.233 1
1 145 . 3 1 1 A 13 13 ALA H H 13 7.722 7.688 0.034 1
1 146 . 3 1 1 A 13 13 ALA HA H 13 4.412 4.177 0.235 1
1 150 . 3 1 1 A 13 13 ALA C C 13 180.069 180.168 -0.099 1
1 151 . 3 1 1 A 13 13 ALA CA C 13 54.990 55.190 -0.200 1
1 152 . 3 1 1 A 13 13 ALA CB C 13 18.654 18.075 0.579 1
1 153 . 3 1 1 A 13 13 ALA N N 13 119.900 121.995 -2.095 1
1 154 . 3 1 1 A 14 14 LEU H H 14 8.419 7.870 0.549 1
1 155 . 3 1 1 A 14 14 LEU HA H 14 4.418 4.344 0.074 1
1 165 . 3 1 1 A 14 14 LEU C C 14 180.574 179.801 0.773 1
1 166 . 3 1 1 A 14 14 LEU CA C 14 57.488 57.909 -0.421 1
1 167 . 3 1 1 A 14 14 LEU CB C 14 42.008 41.173 0.835 1
1 171 . 3 1 1 A 14 14 LEU N N 14 119.013 118.449 0.564 1
1 172 . 3 1 1 A 15 15 VAL H H 15 8.501 8.129 0.372 1
1 173 . 3 1 1 A 15 15 VAL HA H 15 3.929 3.609 0.320 1
1 181 . 3 1 1 A 15 15 VAL C C 15 178.956 178.069 0.887 1
1 182 . 3 1 1 A 15 15 VAL CA C 15 66.056 66.998 -0.942 1
1 183 . 3 1 1 A 15 15 VAL CB C 15 32.053 31.415 0.638 1
1 186 . 3 1 1 A 15 15 VAL N N 15 120.534 120.899 -0.365 1
1 187 . 3 1 1 A 16 16 GLU H H 16 8.238 8.351 -0.113 1
1 188 . 3 1 1 A 16 16 GLU HA H 16 4.216 4.024 0.192 1
1 193 . 3 1 1 A 16 16 GLU C C 16 178.530 178.752 -0.222 1
1 194 . 3 1 1 A 16 16 GLU CA C 16 58.963 59.750 -0.787 1
1 195 . 3 1 1 A 16 16 GLU CB C 16 29.866 29.462 0.404 1
1 197 . 3 1 1 A 16 16 GLU N N 16 119.771 120.252 -0.481 1
1 198 . 3 1 1 A 17 17 SER H H 17 7.808 8.373 -0.565 1
1 199 . 3 1 1 A 17 17 SER HA H 17 4.581 4.272 0.309 1
1 202 . 3 1 1 A 17 17 SER C C 17 174.239 177.200 -2.961 1
1 203 . 3 1 1 A 17 17 SER CA C 17 59.839 61.534 -1.695 1
1 204 . 3 1 1 A 17 17 SER CB C 17 64.127 62.693 1.434 1
1 205 . 3 1 1 A 17 17 SER N N 17 113.608 114.881 -1.273 1
1 206 . 3 1 1 A 18 18 ALA H H 18 7.809 7.817 -0.008 1
1 207 . 3 1 1 A 18 18 ALA HA H 18 4.358 4.129 0.229 1
1 211 . 3 1 1 A 18 18 ALA C C 18 178.239 178.540 -0.301 1
1 212 . 3 1 1 A 18 18 ALA CA C 18 52.975 52.992 -0.017 1
1 213 . 3 1 1 A 18 18 ALA CB C 18 19.808 19.688 0.120 1
1 214 . 3 1 1 A 18 18 ALA N N 18 123.180 121.595 1.585 1
1 215 . 3 1 1 A 19 19 GLY H H 19 8.241 7.905 0.336 1
1 216 . 3 1 1 A 19 19 GLY HA2 H 19 4.060 4.066 -0.006 1
1 217 . 3 1 1 A 19 19 GLY HA3 H 19 4.060 4.072 -0.012 1
1 218 . 3 1 1 A 19 19 GLY C C 19 174.390 173.599 0.791 1
1 219 . 3 1 1 A 19 19 GLY CA C 19 45.570 44.569 1.001 1
1 220 . 3 1 1 A 19 19 GLY N N 19 107.414 104.755 2.659 1
1 221 . 3 1 1 A 20 20 GLU H H 20 8.501 8.457 0.044 1
1 222 . 3 1 1 A 20 20 GLU HA H 20 4.481 4.600 -0.119 1
1 227 . 3 1 1 A 20 20 GLU C C 20 176.860 177.086 -0.226 1
1 228 . 3 1 1 A 20 20 GLU CA C 20 56.810 55.848 0.962 1
1 229 . 3 1 1 A 20 20 GLU CB C 20 30.060 28.590 1.470 1
1 231 . 3 1 1 A 20 20 GLU N N 20 120.517 119.128 1.389 1
1 232 . 3 1 1 A 21 21 THR H H 21 8.251 8.062 0.189 1
1 233 . 3 1 1 A 21 21 THR HA H 21 4.526 4.252 0.274 1
1 238 . 3 1 1 A 21 21 THR C C 21 174.520 176.393 -1.873 1
1 239 . 3 1 1 A 21 21 THR CA C 21 61.836 63.451 -1.615 1
1 240 . 3 1 1 A 21 21 THR CB C 21 70.007 68.898 1.109 1
1 242 . 3 1 1 A 21 21 THR N N 21 113.989 115.758 -1.769 1
1 243 . 3 1 1 A 22 22 ASP H H 22 8.497 8.184 0.313 1
1 244 . 3 1 1 A 22 22 ASP HA H 22 4.737 4.663 0.074 1
1 247 . 3 1 1 A 22 22 ASP C C 22 176.877 176.509 0.368 1
1 248 . 3 1 1 A 22 22 ASP CA C 22 54.739 54.105 0.634 1
1 249 . 3 1 1 A 22 22 ASP CB C 22 41.047 41.574 -0.527 1
1 250 . 3 1 1 A 22 22 ASP N N 22 122.136 121.954 0.182 1
1 251 . 3 1 1 A 23 23 GLY H H 23 8.499 7.962 0.537 1
1 252 . 3 1 1 A 23 23 GLY HA2 H 23 4.087 3.974 0.113 1
1 253 . 3 1 1 A 23 23 GLY HA3 H 23 4.087 3.974 0.113 1
1 254 . 3 1 1 A 23 23 GLY C C 23 174.775 174.412 0.363 1
1 255 . 3 1 1 A 23 23 GLY CA C 23 45.815 44.947 0.868 1
1 256 . 3 1 1 A 23 23 GLY N N 23 109.353 105.960 3.393 1
1 257 . 3 1 1 A 24 24 THR H H 24 8.151 8.470 -0.319 1
1 258 . 3 1 1 A 24 24 THR HA H 24 4.345 4.381 -0.036 1
1 263 . 3 1 1 A 24 24 THR C C 24 174.220 172.883 1.337 1
1 264 . 3 1 1 A 24 24 THR CA C 24 63.084 62.181 0.903 1
1 265 . 3 1 1 A 24 24 THR CB C 24 69.889 68.823 1.066 1
1 267 . 3 1 1 A 24 24 THR N N 24 115.906 114.448 1.458 1
1 268 . 3 1 1 A 25 25 ASP H H 25 8.617 8.596 0.021 1
1 269 . 3 1 1 A 25 25 ASP HA H 25 4.726 4.858 -0.132 1
1 272 . 3 1 1 A 25 25 ASP C C 25 176.172 175.679 0.493 1
1 273 . 3 1 1 A 25 25 ASP CA C 25 54.459 52.281 2.178 1
1 274 . 3 1 1 A 25 25 ASP CB C 25 41.038 40.732 0.306 1
1 275 . 3 1 1 A 25 25 ASP N N 25 123.841 122.781 1.060 1
1 276 . 3 1 1 A 26 26 LEU H H 26 8.468 8.549 -0.081 1
1 277 . 3 1 1 A 26 26 LEU HA H 26 4.375 4.457 -0.082 1
1 287 . 3 1 1 A 26 26 LEU C C 26 176.307 176.429 -0.122 1
1 288 . 3 1 1 A 26 26 LEU CA C 26 54.128 55.331 -1.203 1
1 289 . 3 1 1 A 26 26 LEU CB C 26 41.100 43.439 -2.339 1
1 293 . 3 1 1 A 26 26 LEU N N 26 123.615 127.447 -3.832 1
1 294 . 3 1 1 A 27 27 SER H H 27 8.207 7.537 0.670 1
1 295 . 3 1 1 A 27 27 SER HA H 27 4.303 4.326 -0.023 1
1 298 . 3 1 1 A 27 27 SER C C 27 175.019 174.919 0.100 1
1 299 . 3 1 1 A 27 27 SER CA C 27 59.818 59.811 0.007 1
1 300 . 3 1 1 A 27 27 SER CB C 27 64.198 62.764 1.434 1
1 301 . 3 1 1 A 27 27 SER N N 27 115.102 112.544 2.558 1
1 302 . 3 1 1 A 28 28 GLY H H 28 8.581 8.811 -0.230 1
1 303 . 3 1 1 A 28 28 GLY HA2 H 28 4.244 3.905 0.339 1
1 304 . 3 1 1 A 28 28 GLY HA3 H 28 3.890 3.906 -0.016 1
1 305 . 3 1 1 A 28 28 GLY C C 28 174.264 173.135 1.129 1
1 306 . 3 1 1 A 28 28 GLY CA C 28 45.393 46.777 -1.384 1
1 307 . 3 1 1 A 28 28 GLY N N 28 111.287 111.993 -0.706 1
1 308 . 3 1 1 A 29 29 ASP H H 29 8.680 8.482 0.198 1
1 309 . 3 1 1 A 29 29 ASP HA H 29 4.859 5.408 -0.549 1
1 312 . 3 1 1 A 29 29 ASP C C 29 176.461 175.780 0.681 1
1 313 . 3 1 1 A 29 29 ASP CA C 29 54.284 53.264 1.020 1
1 314 . 3 1 1 A 29 29 ASP CB C 29 39.716 42.759 -3.043 1
1 315 . 3 1 1 A 29 29 ASP N N 29 123.263 124.710 -1.447 1
1 316 . 3 1 1 A 30 30 PHE H H 30 8.064 8.610 -0.546 1
1 317 . 3 1 1 A 30 30 PHE HA H 30 4.766 4.917 -0.151 1
1 325 . 3 1 1 A 30 30 PHE C C 30 175.486 176.458 -0.972 1
1 326 . 3 1 1 A 30 30 PHE CA C 30 57.460 56.913 0.547 1
1 327 . 3 1 1 A 30 30 PHE CB C 30 40.521 39.673 0.848 1
1 333 . 3 1 1 A 30 30 PHE N N 30 122.340 118.243 4.097 1
1 334 . 3 1 1 A 31 31 LEU H H 31 7.535 7.469 0.066 1
1 335 . 3 1 1 A 31 31 LEU HA H 31 3.309 3.575 -0.266 1
1 345 . 3 1 1 A 31 31 LEU C C 31 176.442 177.523 -1.081 1
1 346 . 3 1 1 A 31 31 LEU CA C 31 57.841 57.269 0.572 1
1 347 . 3 1 1 A 31 31 LEU CB C 31 42.121 41.637 0.484 1
1 351 . 3 1 1 A 31 31 LEU N N 31 118.974 121.612 -2.638 1
1 352 . 3 1 1 A 32 32 ASP H H 32 8.081 8.234 -0.153 1
1 353 . 3 1 1 A 32 32 ASP HA H 32 5.057 4.564 0.493 1
1 356 . 3 1 1 A 32 32 ASP C C 32 176.035 175.901 0.134 1
1 357 . 3 1 1 A 32 32 ASP CA C 32 53.745 53.466 0.279 1
1 358 . 3 1 1 A 32 32 ASP CB C 32 41.757 40.273 1.484 1
1 359 . 3 1 1 A 32 32 ASP N N 32 111.858 114.881 -3.023 1
1 360 . 3 1 1 A 33 33 LEU H H 33 7.223 7.359 -0.136 1
1 361 . 3 1 1 A 33 33 LEU HA H 33 4.315 4.251 0.064 1
1 371 . 3 1 1 A 33 33 LEU C C 33 174.834 176.208 -1.374 1
1 372 . 3 1 1 A 33 33 LEU CA C 33 54.484 54.671 -0.187 1
1 373 . 3 1 1 A 33 33 LEU CB C 33 42.469 42.107 0.362 1
1 377 . 3 1 1 A 33 33 LEU N N 33 122.072 122.472 -0.400 1
1 378 . 3 1 1 A 34 34 ARG H H 34 8.486 8.811 -0.325 1
1 379 . 3 1 1 A 34 34 ARG HA H 34 4.746 4.160 0.586 1
1 387 . 3 1 1 A 34 34 ARG C C 34 179.695 177.766 1.929 1
1 388 . 3 1 1 A 34 34 ARG CA C 34 55.460 56.275 -0.815 1
1 389 . 3 1 1 A 34 34 ARG CB C 34 29.981 30.587 -0.606 1
1 393 . 3 1 1 A 34 34 ARG N N 34 116.268 124.142 -7.874 1
1 395 . 3 1 1 A 35 35 PHE H H 35 8.453 8.194 0.259 1
1 396 . 3 1 1 A 35 35 PHE HA H 35 4.398 4.226 0.172 1
1 404 . 3 1 1 A 35 35 PHE C C 35 178.728 178.251 0.477 1
1 405 . 3 1 1 A 35 35 PHE CA C 35 62.994 61.032 1.962 1
1 406 . 3 1 1 A 35 35 PHE CB C 35 37.964 38.615 -0.651 1
1 412 . 3 1 1 A 35 35 PHE N N 35 123.273 122.120 1.153 1
1 413 . 3 1 1 A 36 36 GLU H H 36 9.540 8.569 0.971 1
1 414 . 3 1 1 A 36 36 GLU HA H 36 4.357 4.144 0.213 1
1 419 . 3 1 1 A 36 36 GLU C C 36 178.636 178.508 0.128 1
1 420 . 3 1 1 A 36 36 GLU CA C 36 59.160 60.379 -1.219 1
1 421 . 3 1 1 A 36 36 GLU CB C 36 29.610 29.168 0.442 1
1 423 . 3 1 1 A 36 36 GLU N N 36 117.074 118.831 -1.757 1
1 424 . 3 1 1 A 37 37 ASP H H 37 7.532 7.668 -0.136 1
1 425 . 3 1 1 A 37 37 ASP HA H 37 4.811 4.442 0.369 1
1 428 . 3 1 1 A 37 37 ASP C C 37 177.974 177.641 0.333 1
1 429 . 3 1 1 A 37 37 ASP CA C 37 56.496 56.402 0.094 1
1 430 . 3 1 1 A 37 37 ASP CB C 37 41.271 41.002 0.269 1
1 431 . 3 1 1 A 37 37 ASP N N 37 118.229 119.702 -1.473 1
1 432 . 3 1 1 A 38 38 ILE H H 38 7.728 7.433 0.295 1
1 433 . 3 1 1 A 38 38 ILE HA H 38 4.676 4.282 0.394 1
1 443 . 3 1 1 A 38 38 ILE C C 38 176.102 176.230 -0.128 1
1 444 . 3 1 1 A 38 38 ILE CA C 38 61.973 60.650 1.323 1
1 445 . 3 1 1 A 38 38 ILE CB C 38 38.682 37.469 1.213 1
1 449 . 3 1 1 A 38 38 ILE N N 38 112.806 111.866 0.940 1
1 450 . 3 1 1 A 39 39 GLY H H 39 7.735 8.019 -0.284 1
1 451 . 3 1 1 A 39 39 GLY HA2 H 39 4.271 4.045 0.226 1
1 452 . 3 1 1 A 39 39 GLY HA3 H 39 3.898 4.055 -0.157 1
1 453 . 3 1 1 A 39 39 GLY C C 39 174.444 174.057 0.387 1
1 454 . 3 1 1 A 39 39 GLY CA C 39 46.438 46.354 0.084 1
1 455 . 3 1 1 A 39 39 GLY N N 39 107.120 110.978 -3.858 1
1 456 . 3 1 1 A 40 40 TYR H H 40 8.081 7.854 0.227 1
1 457 . 3 1 1 A 40 40 TYR HA H 40 4.586 4.850 -0.264 1
1 464 . 3 1 1 A 40 40 TYR C C 40 174.461 175.285 -0.824 1
1 465 . 3 1 1 A 40 40 TYR CA C 40 58.185 57.267 0.918 1
1 466 . 3 1 1 A 40 40 TYR CB C 40 40.424 40.621 -0.197 1
1 471 . 3 1 1 A 40 40 TYR N N 40 121.688 118.390 3.298 1
1 472 . 3 1 1 A 41 41 ASP H H 41 8.040 8.755 -0.715 1
1 473 . 3 1 1 A 41 41 ASP HA H 41 4.727 4.822 -0.095 1
1 476 . 3 1 1 A 41 41 ASP C C 41 175.980 177.298 -1.318 1
1 477 . 3 1 1 A 41 41 ASP CA C 41 52.812 54.133 -1.321 1
1 478 . 3 1 1 A 41 41 ASP CB C 41 42.068 41.648 0.420 1
1 479 . 3 1 1 A 41 41 ASP N N 41 124.041 125.058 -1.017 1
1 480 . 3 1 1 A 42 42 SER H H 42 8.561 9.039 -0.478 1
1 481 . 3 1 1 A 42 42 SER HA H 42 4.198 4.050 0.148 1
1 484 . 3 1 1 A 42 42 SER C C 42 176.472 176.762 -0.290 1
1 485 . 3 1 1 A 42 42 SER CA C 42 62.309 62.249 0.060 1
1 486 . 3 1 1 A 42 42 SER CB C 42 62.943 62.438 0.505 1
1 487 . 3 1 1 A 42 42 SER N N 42 114.493 118.459 -3.966 1
1 488 . 3 1 1 A 43 43 LEU H H 43 7.804 8.082 -0.278 1
1 489 . 3 1 1 A 43 43 LEU HA H 43 4.270 4.054 0.216 1
1 499 . 3 1 1 A 43 43 LEU C C 43 179.551 178.341 1.210 1
1 500 . 3 1 1 A 43 43 LEU CA C 43 58.369 58.022 0.347 1
1 501 . 3 1 1 A 43 43 LEU CB C 43 41.057 41.693 -0.636 1
1 505 . 3 1 1 A 43 43 LEU N N 43 122.459 124.527 -2.068 1
1 506 . 3 1 1 A 44 44 ALA H H 44 8.064 8.263 -0.199 1
1 507 . 3 1 1 A 44 44 ALA HA H 44 4.334 3.931 0.403 1
1 511 . 3 1 1 A 44 44 ALA C C 44 181.733 180.008 1.725 1
1 512 . 3 1 1 A 44 44 ALA CA C 44 54.987 55.164 -0.177 1
1 513 . 3 1 1 A 44 44 ALA CB C 44 18.500 17.919 0.581 1
1 514 . 3 1 1 A 44 44 ALA N N 44 123.223 121.035 2.188 1
1 515 . 3 1 1 A 45 45 LEU H H 45 8.422 8.478 -0.056 1
1 516 . 3 1 1 A 45 45 LEU HA H 45 3.907 4.248 -0.341 1
1 526 . 3 1 1 A 45 45 LEU C C 45 178.613 178.771 -0.158 1
1 527 . 3 1 1 A 45 45 LEU CA C 45 58.419 57.844 0.575 1
1 528 . 3 1 1 A 45 45 LEU CB C 45 41.643 41.416 0.227 1
1 532 . 3 1 1 A 45 45 LEU N N 45 121.714 120.079 1.635 1
1 533 . 3 1 1 A 46 46 MET H H 46 8.344 8.699 -0.355 1
1 534 . 3 1 1 A 46 46 MET HA H 46 4.259 4.026 0.233 1
1 539 . 3 1 1 A 46 46 MET C C 46 179.856 178.477 1.379 1
1 540 . 3 1 1 A 46 46 MET CA C 46 58.769 58.867 -0.098 1
1 541 . 3 1 1 A 46 46 MET CB C 46 32.022 32.831 -0.809 1
1 543 . 3 1 1 A 46 46 MET N N 46 119.039 117.122 1.917 1
1 544 . 3 1 1 A 47 47 GLU H H 47 8.414 8.351 0.063 1
1 545 . 3 1 1 A 47 47 GLU HA H 47 4.257 4.084 0.173 1
1 550 . 3 1 1 A 47 47 GLU C C 47 179.208 179.342 -0.134 1
1 551 . 3 1 1 A 47 47 GLU CA C 47 59.504 59.197 0.307 1
1 552 . 3 1 1 A 47 47 GLU CB C 47 29.229 29.250 -0.021 1
1 554 . 3 1 1 A 47 47 GLU N N 47 121.231 120.475 0.756 1
1 555 . 3 1 1 A 48 48 THR H H 48 8.329 7.870 0.459 1
1 556 . 3 1 1 A 48 48 THR HA H 48 3.962 3.913 0.049 1
1 561 . 3 1 1 A 48 48 THR C C 48 176.334 176.218 0.116 1
1 562 . 3 1 1 A 48 48 THR CA C 48 67.882 66.677 1.205 1
1 563 . 3 1 1 A 48 48 THR CB C 48 68.478 68.915 -0.437 1
1 565 . 3 1 1 A 48 48 THR N N 48 118.600 117.241 1.359 1
1 566 . 3 1 1 A 49 49 ALA H H 49 8.756 8.620 0.136 1
1 567 . 3 1 1 A 49 49 ALA HA H 49 3.963 3.937 0.026 1
1 571 . 3 1 1 A 49 49 ALA C C 49 178.615 179.302 -0.687 1
1 572 . 3 1 1 A 49 49 ALA CA C 49 56.227 55.540 0.687 1
1 573 . 3 1 1 A 49 49 ALA CB C 49 17.499 17.931 -0.432 1
1 574 . 3 1 1 A 49 49 ALA N N 49 123.599 122.892 0.707 1
1 575 . 3 1 1 A 50 50 ALA H H 50 8.191 8.489 -0.298 1
1 576 . 3 1 1 A 50 50 ALA HA H 50 4.281 4.105 0.176 1
1 580 . 3 1 1 A 50 50 ALA C C 50 181.272 180.327 0.945 1
1 581 . 3 1 1 A 50 50 ALA CA C 50 55.488 55.234 0.254 1
1 582 . 3 1 1 A 50 50 ALA CB C 50 18.107 18.391 -0.284 1
1 583 . 3 1 1 A 50 50 ALA N N 50 119.558 120.358 -0.800 1
1 584 . 3 1 1 A 51 51 ARG H H 51 8.146 8.148 -0.002 1
1 585 . 3 1 1 A 51 51 ARG HA H 51 4.257 4.073 0.184 1
1 593 . 3 1 1 A 51 51 ARG C C 51 179.815 178.697 1.118 1
1 594 . 3 1 1 A 51 51 ARG CA C 51 59.591 59.286 0.305 1
1 595 . 3 1 1 A 51 51 ARG CB C 51 30.400 29.903 0.497 1
1 599 . 3 1 1 A 51 51 ARG N N 51 119.722 118.820 0.902 1
1 601 . 3 1 1 A 52 52 LEU H H 52 8.432 8.308 0.124 1
1 602 . 3 1 1 A 52 52 LEU HA H 52 4.330 4.233 0.097 1
1 612 . 3 1 1 A 52 52 LEU C C 52 179.152 179.308 -0.156 1
1 613 . 3 1 1 A 52 52 LEU CA C 52 58.139 58.197 -0.058 1
1 614 . 3 1 1 A 52 52 LEU CB C 52 42.615 41.492 1.123 1
1 618 . 3 1 1 A 52 52 LEU N N 52 120.470 119.879 0.591 1
1 619 . 3 1 1 A 53 53 GLU H H 53 8.989 8.723 0.266 1
1 620 . 3 1 1 A 53 53 GLU HA H 53 4.105 3.995 0.110 1
1 625 . 3 1 1 A 53 53 GLU C C 53 179.370 179.069 0.301 1
1 626 . 3 1 1 A 53 53 GLU CA C 53 60.145 59.854 0.291 1
1 627 . 3 1 1 A 53 53 GLU CB C 53 29.184 29.450 -0.266 1
1 629 . 3 1 1 A 53 53 GLU N N 53 119.668 119.022 0.646 1
1 630 . 3 1 1 A 54 54 SER H H 54 8.028 8.325 -0.297 1
1 631 . 3 1 1 A 54 54 SER HA H 54 4.392 4.169 0.223 1
1 634 . 3 1 1 A 54 54 SER C C 54 176.891 176.060 0.831 1
1 635 . 3 1 1 A 54 54 SER CA C 54 61.162 61.745 -0.583 1
1 636 . 3 1 1 A 54 54 SER CB C 54 63.222 62.868 0.354 1
1 637 . 3 1 1 A 54 54 SER N N 54 112.842 117.447 -4.605 1
1 638 . 3 1 1 A 55 55 ARG H H 55 8.070 8.360 -0.290 1
1 639 . 3 1 1 A 55 55 ARG HA H 55 4.111 3.983 0.128 1
1 647 . 3 1 1 A 55 55 ARG C C 55 177.830 177.352 0.478 1
1 648 . 3 1 1 A 55 55 ARG CA C 55 58.824 58.783 0.041 1
1 649 . 3 1 1 A 55 55 ARG CB C 55 30.829 29.867 0.962 1
1 653 . 3 1 1 A 55 55 ARG N N 55 120.550 121.180 -0.630 1
1 655 . 3 1 1 A 56 56 TYR H H 56 8.171 7.885 0.286 1
1 656 . 3 1 1 A 56 56 TYR HA H 56 4.685 4.743 -0.058 1
1 663 . 3 1 1 A 56 56 TYR C C 56 176.027 175.652 0.375 1
1 664 . 3 1 1 A 56 56 TYR CA C 56 59.110 57.327 1.783 1
1 665 . 3 1 1 A 56 56 TYR CB C 56 39.339 38.587 0.752 1
1 670 . 3 1 1 A 56 56 TYR N N 56 113.561 114.720 -1.159 1
1 671 . 3 1 1 A 57 57 GLY H H 57 7.998 7.717 0.281 1
1 672 . 3 1 1 A 57 57 GLY HA2 H 57 4.105 3.966 0.139 1
1 673 . 3 1 1 A 57 57 GLY HA3 H 57 4.105 3.968 0.137 1
1 674 . 3 1 1 A 57 57 GLY C C 57 174.600 173.590 1.010 1
1 675 . 3 1 1 A 57 57 GLY CA C 57 47.349 47.152 0.197 1
1 676 . 3 1 1 A 57 57 GLY N N 57 109.470 110.093 -0.623 1
1 677 . 3 1 1 A 58 58 VAL H H 58 7.515 7.941 -0.426 1
1 678 . 3 1 1 A 58 58 VAL HA H 58 4.694 4.785 -0.091 1
1 686 . 3 1 1 A 58 58 VAL C C 58 174.016 173.289 0.727 1
1 687 . 3 1 1 A 58 58 VAL CA C 58 59.282 59.582 -0.300 1
1 688 . 3 1 1 A 58 58 VAL CB C 58 34.791 35.436 -0.645 1
1 691 . 3 1 1 A 58 58 VAL N N 58 112.406 119.183 -6.777 1
1 692 . 3 1 1 A 59 59 SER H H 59 8.489 8.723 -0.234 1
1 693 . 3 1 1 A 59 59 SER HA H 59 4.847 5.288 -0.441 1
1 696 . 3 1 1 A 59 59 SER C C 59 173.643 172.649 0.994 1
1 697 . 3 1 1 A 59 59 SER CA C 59 57.213 56.669 0.544 1
1 698 . 3 1 1 A 59 59 SER CB C 59 64.285 65.849 -1.564 1
1 699 . 3 1 1 A 59 59 SER N N 59 116.724 119.102 -2.378 1
1 700 . 3 1 1 A 60 60 ILE H H 60 8.224 9.572 -1.348 1
1 701 . 3 1 1 A 60 60 ILE HA H 60 4.676 4.662 0.014 1
1 711 . 3 1 1 A 60 60 ILE CA C 60 57.702 57.597 0.105 1
1 712 . 3 1 1 A 60 60 ILE CB C 60 40.520 41.953 -1.433 1
1 716 . 3 1 1 A 60 60 ILE N N 60 125.582 124.120 1.462 1
1 717 . 3 1 1 A 61 61 PRO HA H 61 4.543 4.561 -0.018 1
1 724 . 3 1 1 A 61 61 PRO C C 61 177.547 177.600 -0.053 1
1 725 . 3 1 1 A 61 61 PRO CA C 61 63.523 63.198 0.325 1
1 726 . 3 1 1 A 61 61 PRO CB C 61 32.704 31.754 0.950 1
1 729 . 3 1 1 A 62 62 ASP H H 62 8.857 8.711 0.146 1
1 730 . 3 1 1 A 62 62 ASP HA H 62 4.447 4.286 0.161 1
1 733 . 3 1 1 A 62 62 ASP C C 62 177.504 178.101 -0.597 1
1 734 . 3 1 1 A 62 62 ASP CA C 62 57.105 57.659 -0.554 1
1 735 . 3 1 1 A 62 62 ASP CB C 62 40.668 40.507 0.161 1
1 736 . 3 1 1 A 62 62 ASP N N 62 123.624 123.397 0.227 1
1 737 . 3 1 1 A 63 63 ASP H H 63 8.691 8.095 0.596 1
1 738 . 3 1 1 A 63 63 ASP HA H 63 4.508 4.384 0.124 1
1 741 . 3 1 1 A 63 63 ASP C C 63 177.468 178.846 -1.378 1
1 742 . 3 1 1 A 63 63 ASP CA C 63 55.267 56.971 -1.704 1
1 743 . 3 1 1 A 63 63 ASP CB C 63 39.691 40.938 -1.247 1
1 744 . 3 1 1 A 63 63 ASP N N 63 116.744 119.358 -2.614 1
1 745 . 3 1 1 A 64 64 VAL H H 64 7.388 7.863 -0.475 1
1 746 . 3 1 1 A 64 64 VAL HA H 64 3.789 3.553 0.236 1
1 754 . 3 1 1 A 64 64 VAL C C 64 177.793 178.274 -0.481 1
1 755 . 3 1 1 A 64 64 VAL CA C 64 65.251 66.427 -1.176 1
1 756 . 3 1 1 A 64 64 VAL CB C 64 32.347 31.382 0.965 1
1 759 . 3 1 1 A 64 64 VAL N N 64 119.303 119.389 -0.086 1
1 760 . 3 1 1 A 65 65 ALA H H 65 8.212 8.213 -0.001 1
1 761 . 3 1 1 A 65 65 ALA HA H 65 3.967 4.067 -0.100 1
1 765 . 3 1 1 A 65 65 ALA C C 65 178.005 178.750 -0.745 1
1 766 . 3 1 1 A 65 65 ALA CA C 65 55.196 55.008 0.188 1
1 767 . 3 1 1 A 65 65 ALA CB C 65 18.373 18.476 -0.103 1
1 768 . 3 1 1 A 65 65 ALA N N 65 122.060 121.415 0.645 1
1 769 . 3 1 1 A 66 66 GLY H H 66 7.995 8.020 -0.025 1
1 770 . 3 1 1 A 66 66 GLY HA2 H 66 4.133 3.961 0.172 1
1 771 . 3 1 1 A 66 66 GLY HA3 H 66 3.912 3.978 -0.066 1
1 772 . 3 1 1 A 66 66 GLY C C 66 174.615 174.634 -0.019 1
1 773 . 3 1 1 A 66 66 GLY CA C 66 45.925 45.442 0.483 1
1 774 . 3 1 1 A 66 66 GLY N N 66 99.445 105.113 -5.668 1
1 775 . 3 1 1 A 67 67 ARG H H 67 7.478 8.002 -0.524 1
1 776 . 3 1 1 A 67 67 ARG HA H 67 4.659 4.453 0.206 1
1 784 . 3 1 1 A 67 67 ARG C C 67 176.470 176.132 0.338 1
1 785 . 3 1 1 A 67 67 ARG CA C 67 55.647 56.350 -0.703 1
1 786 . 3 1 1 A 67 67 ARG CB C 67 31.843 31.143 0.700 1
1 790 . 3 1 1 A 67 67 ARG N N 67 116.761 118.720 -1.959 1
1 792 . 3 1 1 A 68 68 VAL H H 68 7.244 7.024 0.220 1
1 793 . 3 1 1 A 68 68 VAL HA H 68 4.437 4.155 0.282 1
1 801 . 3 1 1 A 68 68 VAL C C 68 175.250 175.535 -0.285 1
1 802 . 3 1 1 A 68 68 VAL CA C 68 61.919 61.849 0.070 1
1 803 . 3 1 1 A 68 68 VAL CB C 68 33.329 31.743 1.586 1
1 806 . 3 1 1 A 68 68 VAL N N 68 114.725 117.843 -3.118 1
1 807 . 3 1 1 A 69 69 ASP H H 69 9.180 9.470 -0.290 1
1 808 . 3 1 1 A 69 69 ASP HA H 69 5.272 4.871 0.401 1
1 811 . 3 1 1 A 69 69 ASP C C 69 177.035 176.036 0.999 1
1 812 . 3 1 1 A 69 69 ASP CA C 69 55.862 55.657 0.205 1
1 813 . 3 1 1 A 69 69 ASP CB C 69 44.421 42.711 1.710 1
1 814 . 3 1 1 A 69 69 ASP N N 69 120.929 125.865 -4.936 1
1 815 . 3 1 1 A 70 70 THR H H 70 7.490 7.988 -0.498 1
1 816 . 3 1 1 A 70 70 THR HA H 70 4.969 4.443 0.526 1
1 821 . 3 1 1 A 70 70 THR CA C 70 57.776 58.178 -0.402 1
1 822 . 3 1 1 A 70 70 THR CB C 70 71.416 70.317 1.099 1
1 824 . 3 1 1 A 70 70 THR N N 70 107.879 108.597 -0.718 1
1 825 . 3 1 1 A 71 71 PRO HA H 71 4.247 4.377 -0.130 1
1 832 . 3 1 1 A 71 71 PRO C C 71 177.413 177.987 -0.574 1
1 833 . 3 1 1 A 71 71 PRO CA C 71 65.812 65.243 0.569 1
1 834 . 3 1 1 A 71 71 PRO CB C 71 32.647 31.523 1.124 1
1 837 . 3 1 1 A 72 72 ARG H H 72 9.000 8.354 0.646 1
1 838 . 3 1 1 A 72 72 ARG HA H 72 3.619 3.978 -0.359 1
1 850 . 3 1 1 A 72 72 ARG C C 72 177.530 178.724 -1.194 1
1 851 . 3 1 1 A 72 72 ARG CA C 72 60.211 58.983 1.228 1
1 852 . 3 1 1 A 72 72 ARG CB C 72 30.433 29.828 0.605 1
1 856 . 3 1 1 A 72 72 ARG N N 72 117.747 116.584 1.163 1
1 860 . 3 1 1 A 73 73 GLU H H 73 7.840 7.944 -0.104 1
1 861 . 3 1 1 A 73 73 GLU HA H 73 4.245 4.071 0.174 1
1 866 . 3 1 1 A 73 73 GLU C C 73 180.139 179.161 0.978 1
1 867 . 3 1 1 A 73 73 GLU CA C 73 59.071 58.622 0.449 1
1 868 . 3 1 1 A 73 73 GLU CB C 73 30.230 29.938 0.292 1
1 870 . 3 1 1 A 73 73 GLU N N 73 116.639 119.369 -2.730 1
1 871 . 3 1 1 A 74 74 LEU H H 74 7.693 7.662 0.031 1
1 872 . 3 1 1 A 74 74 LEU HA H 74 4.324 4.071 0.253 1
1 882 . 3 1 1 A 74 74 LEU C C 74 177.000 178.117 -1.117 1
1 883 . 3 1 1 A 74 74 LEU CA C 74 58.123 58.117 0.006 1
1 884 . 3 1 1 A 74 74 LEU CB C 74 42.242 41.611 0.631 1
1 888 . 3 1 1 A 74 74 LEU N N 74 120.218 122.035 -1.817 1
1 889 . 3 1 1 A 75 75 LEU H H 75 8.731 8.427 0.304 1
1 890 . 3 1 1 A 75 75 LEU HA H 75 3.904 3.941 -0.037 1
1 900 . 3 1 1 A 75 75 LEU C C 75 178.122 177.997 0.125 1
1 901 . 3 1 1 A 75 75 LEU CA C 75 58.462 58.404 0.058 1
1 902 . 3 1 1 A 75 75 LEU CB C 75 42.400 41.544 0.856 1
1 906 . 3 1 1 A 75 75 LEU N N 75 121.211 119.748 1.463 1
1 907 . 3 1 1 A 76 76 ASP H H 76 8.703 8.152 0.551 1
1 908 . 3 1 1 A 76 76 ASP HA H 76 4.497 4.229 0.268 1
1 911 . 3 1 1 A 76 76 ASP C C 76 180.101 178.227 1.874 1
1 912 . 3 1 1 A 76 76 ASP CA C 76 57.325 57.697 -0.372 1
1 913 . 3 1 1 A 76 76 ASP CB C 76 39.936 41.825 -1.889 1
1 914 . 3 1 1 A 76 76 ASP N N 76 117.466 118.770 -1.304 1
1 915 . 3 1 1 A 77 77 LEU H H 77 8.019 8.023 -0.004 1
1 916 . 3 1 1 A 77 77 LEU HA H 77 4.282 4.017 0.265 1
1 926 . 3 1 1 A 77 77 LEU C C 77 179.840 178.303 1.537 1
1 927 . 3 1 1 A 77 77 LEU CA C 77 58.417 58.570 -0.153 1
1 928 . 3 1 1 A 77 77 LEU CB C 77 42.856 41.710 1.146 1
1 932 . 3 1 1 A 77 77 LEU N N 77 122.891 120.198 2.693 1
1 933 . 3 1 1 A 78 78 ILE H H 78 8.281 8.036 0.245 1
1 934 . 3 1 1 A 78 78 ILE HA H 78 3.756 3.496 0.260 1
1 944 . 3 1 1 A 78 78 ILE C C 78 177.655 178.044 -0.389 1
1 945 . 3 1 1 A 78 78 ILE CA C 78 64.638 64.945 -0.307 1
1 946 . 3 1 1 A 78 78 ILE CB C 78 37.325 37.200 0.125 1
1 950 . 3 1 1 A 78 78 ILE N N 78 119.758 119.501 0.257 1
1 951 . 3 1 1 A 79 79 ASN H H 79 8.880 9.194 -0.314 1
1 952 . 3 1 1 A 79 79 ASN HA H 79 4.918 4.402 0.516 1
1 957 . 3 1 1 A 79 79 ASN C C 79 179.481 178.966 0.515 1
1 958 . 3 1 1 A 79 79 ASN CA C 79 55.446 56.281 -0.835 1
1 959 . 3 1 1 A 79 79 ASN CB C 79 37.299 37.804 -0.505 1
1 960 . 3 1 1 A 79 79 ASN N N 79 117.848 118.391 -0.543 1
1 962 . 3 1 1 A 80 80 GLY H H 80 8.441 8.635 -0.194 1
1 963 . 3 1 1 A 80 80 GLY HA2 H 80 4.036 3.801 0.235 1
1 964 . 3 1 1 A 80 80 GLY HA3 H 80 4.036 3.802 0.234 1
1 965 . 3 1 1 A 80 80 GLY C C 80 175.746 176.164 -0.418 1
1 966 . 3 1 1 A 80 80 GLY CA C 80 47.065 47.240 -0.175 1
1 967 . 3 1 1 A 80 80 GLY N N 80 110.120 109.394 0.726 1
1 968 . 3 1 1 A 81 81 ALA H H 81 7.604 7.629 -0.025 1
1 969 . 3 1 1 A 81 81 ALA HA H 81 4.467 3.987 0.480 1
1 973 . 3 1 1 A 81 81 ALA C C 81 180.565 180.210 0.355 1
1 974 . 3 1 1 A 81 81 ALA CA C 81 54.298 54.632 -0.334 1
1 975 . 3 1 1 A 81 81 ALA CB C 81 18.530 18.425 0.105 1
1 976 . 3 1 1 A 81 81 ALA N N 81 124.070 125.325 -1.255 1
1 977 . 3 1 1 A 82 82 LEU H H 82 8.299 8.591 -0.292 1
1 978 . 3 1 1 A 82 82 LEU HA H 82 4.219 3.967 0.252 1
1 988 . 3 1 1 A 82 82 LEU C C 82 178.837 179.260 -0.423 1
1 989 . 3 1 1 A 82 82 LEU CA C 82 56.967 58.008 -1.041 1
1 990 . 3 1 1 A 82 82 LEU CB C 82 42.610 40.779 1.831 1
1 994 . 3 1 1 A 82 82 LEU N N 82 119.823 119.617 0.206 1
1 995 . 3 1 1 A 83 83 ALA H H 83 7.964 8.411 -0.447 1
1 996 . 3 1 1 A 83 83 ALA HA H 83 4.298 4.035 0.263 1
1 1000 . 3 1 1 A 83 83 ALA C C 83 178.739 179.690 -0.951 1
1 1001 . 3 1 1 A 83 83 ALA CA C 83 53.965 55.313 -1.348 1
1 1002 . 3 1 1 A 83 83 ALA CB C 83 18.917 18.089 0.828 1
1 1003 . 3 1 1 A 83 83 ALA N N 83 121.306 122.228 -0.922 1
1 1004 . 3 1 1 A 84 84 GLU H H 84 7.746 7.864 -0.118 1
1 1005 . 3 1 1 A 84 84 GLU HA H 84 4.396 4.149 0.247 1
1 1010 . 3 1 1 A 84 84 GLU C C 84 176.347 177.031 -0.684 1
1 1011 . 3 1 1 A 84 84 GLU CA C 84 56.739 59.273 -2.534 1
1 1012 . 3 1 1 A 84 84 GLU CB C 84 30.126 29.279 0.847 1
1 1014 . 3 1 1 A 84 84 GLU N N 84 117.080 115.702 1.378 1
1 1015 . 3 1 1 A 85 85 ALA H H 85 7.832 7.975 -0.143 1
1 1016 . 3 1 1 A 85 85 ALA HA H 85 4.485 4.390 0.095 1
1 1020 . 3 1 1 A 85 85 ALA C C 85 176.564 176.499 0.065 1
1 1021 . 3 1 1 A 85 85 ALA CA C 85 52.485 51.522 0.963 1
1 1022 . 3 1 1 A 85 85 ALA CB C 85 19.529 17.416 2.113 1
1 1023 . 3 1 1 A 85 85 ALA N N 85 124.010 120.785 3.225 1
1 1 . 4 1 1 A 2 2 ALA HA H 2 4.297 4.777 -0.480 1
1 5 . 4 1 1 A 2 2 ALA C C 2 173.708 176.302 -2.594 1
1 6 . 4 1 1 A 2 2 ALA CA C 2 51.945 51.080 0.865 1
1 7 . 4 1 1 A 2 2 ALA CB C 2 19.979 20.292 -0.313 1
1 8 . 4 1 1 A 3 3 THR H H 3 8.680 8.978 -0.298 1
1 9 . 4 1 1 A 3 3 THR HA H 3 4.411 4.869 -0.458 1
1 14 . 4 1 1 A 3 3 THR C C 3 172.914 173.586 -0.672 1
1 15 . 4 1 1 A 3 3 THR CA C 3 62.665 62.367 0.298 1
1 16 . 4 1 1 A 3 3 THR CB C 3 69.902 69.248 0.654 1
1 18 . 4 1 1 A 3 3 THR N N 3 117.458 120.120 -2.662 1
1 19 . 4 1 1 A 4 4 LEU H H 4 8.145 8.989 -0.844 1
1 20 . 4 1 1 A 4 4 LEU HA H 4 4.384 5.027 -0.643 1
1 30 . 4 1 1 A 4 4 LEU C C 4 177.176 174.496 2.680 1
1 31 . 4 1 1 A 4 4 LEU CA C 4 54.765 53.268 1.497 1
1 32 . 4 1 1 A 4 4 LEU CB C 4 42.790 46.031 -3.241 1
1 36 . 4 1 1 A 4 4 LEU N N 4 124.380 129.240 -4.860 1
1 37 . 4 1 1 A 5 5 LEU H H 5 9.419 8.589 0.830 1
1 38 . 4 1 1 A 5 5 LEU HA H 5 4.536 5.113 -0.577 1
1 48 . 4 1 1 A 5 5 LEU C C 5 177.849 176.805 1.044 1
1 49 . 4 1 1 A 5 5 LEU CA C 5 55.488 53.527 1.961 1
1 50 . 4 1 1 A 5 5 LEU CB C 5 42.700 42.714 -0.014 1
1 54 . 4 1 1 A 5 5 LEU N N 5 124.415 124.029 0.386 1
1 55 . 4 1 1 A 6 6 THR H H 6 8.995 8.671 0.324 1
1 56 . 4 1 1 A 6 6 THR HA H 6 4.783 4.742 0.041 1
1 61 . 4 1 1 A 6 6 THR C C 6 175.943 176.360 -0.417 1
1 62 . 4 1 1 A 6 6 THR CA C 6 59.961 60.058 -0.097 1
1 63 . 4 1 1 A 6 6 THR CB C 6 72.429 71.707 0.722 1
1 65 . 4 1 1 A 6 6 THR N N 6 114.757 116.164 -1.407 1
1 66 . 4 1 1 A 7 7 THR H H 7 8.851 9.027 -0.176 1
1 67 . 4 1 1 A 7 7 THR HA H 7 3.881 3.924 -0.043 1
1 72 . 4 1 1 A 7 7 THR C C 7 176.566 176.019 0.547 1
1 73 . 4 1 1 A 7 7 THR CA C 7 67.277 67.071 0.206 1
1 74 . 4 1 1 A 7 7 THR CB C 7 68.542 68.588 -0.046 1
1 76 . 4 1 1 A 7 7 THR N N 7 115.540 117.257 -1.717 1
1 77 . 4 1 1 A 8 8 ASP H H 8 8.279 8.257 0.022 1
1 78 . 4 1 1 A 8 8 ASP HA H 8 4.638 4.464 0.174 1
1 81 . 4 1 1 A 8 8 ASP C C 8 178.553 179.001 -0.448 1
1 82 . 4 1 1 A 8 8 ASP CA C 8 57.738 57.577 0.161 1
1 83 . 4 1 1 A 8 8 ASP CB C 8 41.219 40.432 0.787 1
1 84 . 4 1 1 A 8 8 ASP N N 8 119.967 120.651 -0.684 1
1 85 . 4 1 1 A 9 9 ASP H H 9 7.905 8.031 -0.126 1
1 86 . 4 1 1 A 9 9 ASP HA H 9 4.573 4.533 0.040 1
1 89 . 4 1 1 A 9 9 ASP C C 9 179.411 178.885 0.526 1
1 90 . 4 1 1 A 9 9 ASP CA C 9 57.667 57.547 0.120 1
1 91 . 4 1 1 A 9 9 ASP CB C 9 41.453 40.522 0.931 1
1 92 . 4 1 1 A 9 9 ASP N N 9 120.222 119.883 0.339 1
1 93 . 4 1 1 A 10 10 LEU H H 10 8.097 8.054 0.043 1
1 94 . 4 1 1 A 10 10 LEU HA H 10 4.225 4.124 0.101 1
1 104 . 4 1 1 A 10 10 LEU C C 10 177.475 178.599 -1.124 1
1 105 . 4 1 1 A 10 10 LEU CA C 10 57.959 58.295 -0.336 1
1 106 . 4 1 1 A 10 10 LEU CB C 10 42.013 41.953 0.060 1
1 110 . 4 1 1 A 10 10 LEU N N 10 121.315 120.968 0.347 1
1 111 . 4 1 1 A 11 11 ARG H H 11 8.841 8.671 0.170 1
1 112 . 4 1 1 A 11 11 ARG HA H 11 3.524 3.993 -0.469 1
1 120 . 4 1 1 A 11 11 ARG C C 11 177.728 178.642 -0.914 1
1 121 . 4 1 1 A 11 11 ARG CA C 11 60.662 59.710 0.952 1
1 122 . 4 1 1 A 11 11 ARG CB C 11 30.618 30.111 0.507 1
1 126 . 4 1 1 A 11 11 ARG N N 11 119.774 119.458 0.316 1
1 128 . 4 1 1 A 12 12 ARG H H 12 7.988 7.890 0.098 1
1 129 . 4 1 1 A 12 12 ARG HA H 12 4.041 4.050 -0.009 1
1 137 . 4 1 1 A 12 12 ARG C C 12 178.452 178.120 0.332 1
1 138 . 4 1 1 A 12 12 ARG CA C 12 59.748 59.448 0.300 1
1 139 . 4 1 1 A 12 12 ARG CB C 12 30.414 30.182 0.232 1
1 143 . 4 1 1 A 12 12 ARG N N 12 115.529 119.444 -3.915 1
1 145 . 4 1 1 A 13 13 ALA H H 13 7.722 7.825 -0.103 1
1 146 . 4 1 1 A 13 13 ALA HA H 13 4.412 4.147 0.265 1
1 150 . 4 1 1 A 13 13 ALA C C 13 180.069 180.221 -0.152 1
1 151 . 4 1 1 A 13 13 ALA CA C 13 54.990 55.040 -0.050 1
1 152 . 4 1 1 A 13 13 ALA CB C 13 18.654 18.491 0.163 1
1 153 . 4 1 1 A 13 13 ALA N N 13 119.900 121.259 -1.359 1
1 154 . 4 1 1 A 14 14 LEU H H 14 8.419 7.772 0.647 1
1 155 . 4 1 1 A 14 14 LEU HA H 14 4.418 4.251 0.167 1
1 165 . 4 1 1 A 14 14 LEU C C 14 180.574 179.103 1.471 1
1 166 . 4 1 1 A 14 14 LEU CA C 14 57.488 58.019 -0.531 1
1 167 . 4 1 1 A 14 14 LEU CB C 14 42.008 42.297 -0.289 1
1 171 . 4 1 1 A 14 14 LEU N N 14 119.013 118.804 0.209 1
1 172 . 4 1 1 A 15 15 VAL H H 15 8.501 7.906 0.595 1
1 173 . 4 1 1 A 15 15 VAL HA H 15 3.929 3.580 0.349 1
1 181 . 4 1 1 A 15 15 VAL C C 15 178.956 177.320 1.636 1
1 182 . 4 1 1 A 15 15 VAL CA C 15 66.056 67.234 -1.178 1
1 183 . 4 1 1 A 15 15 VAL CB C 15 32.053 31.509 0.544 1
1 186 . 4 1 1 A 15 15 VAL N N 15 120.534 117.604 2.930 1
1 187 . 4 1 1 A 16 16 GLU H H 16 8.238 8.607 -0.369 1
1 188 . 4 1 1 A 16 16 GLU HA H 16 4.216 4.066 0.150 1
1 193 . 4 1 1 A 16 16 GLU C C 16 178.530 179.489 -0.959 1
1 194 . 4 1 1 A 16 16 GLU CA C 16 58.963 59.367 -0.404 1
1 195 . 4 1 1 A 16 16 GLU CB C 16 29.866 29.210 0.656 1
1 197 . 4 1 1 A 16 16 GLU N N 16 119.771 119.754 0.017 1
1 198 . 4 1 1 A 17 17 SER H H 17 7.808 7.869 -0.061 1
1 199 . 4 1 1 A 17 17 SER HA H 17 4.581 4.319 0.262 1
1 202 . 4 1 1 A 17 17 SER C C 17 174.239 176.309 -2.070 1
1 203 . 4 1 1 A 17 17 SER CA C 17 59.839 62.099 -2.260 1
1 204 . 4 1 1 A 17 17 SER CB C 17 64.127 63.520 0.607 1
1 205 . 4 1 1 A 17 17 SER N N 17 113.608 117.903 -4.295 1
1 206 . 4 1 1 A 18 18 ALA H H 18 7.809 7.612 0.197 1
1 207 . 4 1 1 A 18 18 ALA HA H 18 4.358 4.194 0.164 1
1 211 . 4 1 1 A 18 18 ALA C C 18 178.239 177.959 0.280 1
1 212 . 4 1 1 A 18 18 ALA CA C 18 52.975 52.672 0.303 1
1 213 . 4 1 1 A 18 18 ALA CB C 18 19.808 19.584 0.224 1
1 214 . 4 1 1 A 18 18 ALA N N 18 123.180 120.309 2.871 1
1 215 . 4 1 1 A 19 19 GLY H H 19 8.241 8.174 0.067 1
1 216 . 4 1 1 A 19 19 GLY HA2 H 19 4.060 3.887 0.173 1
1 217 . 4 1 1 A 19 19 GLY HA3 H 19 4.060 3.898 0.162 1
1 218 . 4 1 1 A 19 19 GLY C C 19 174.390 174.844 -0.454 1
1 219 . 4 1 1 A 19 19 GLY CA C 19 45.570 45.934 -0.364 1
1 220 . 4 1 1 A 19 19 GLY N N 19 107.414 107.415 -0.001 1
1 221 . 4 1 1 A 20 20 GLU H H 20 8.501 7.577 0.924 1
1 222 . 4 1 1 A 20 20 GLU HA H 20 4.481 4.415 0.066 1
1 227 . 4 1 1 A 20 20 GLU C C 20 176.860 177.300 -0.440 1
1 228 . 4 1 1 A 20 20 GLU CA C 20 56.810 56.909 -0.099 1
1 229 . 4 1 1 A 20 20 GLU CB C 20 30.060 30.448 -0.388 1
1 231 . 4 1 1 A 20 20 GLU N N 20 120.517 120.405 0.112 1
1 232 . 4 1 1 A 21 21 THR H H 21 8.251 8.752 -0.501 1
1 233 . 4 1 1 A 21 21 THR HA H 21 4.526 4.104 0.422 1
1 238 . 4 1 1 A 21 21 THR C C 21 174.520 176.088 -1.568 1
1 239 . 4 1 1 A 21 21 THR CA C 21 61.836 64.946 -3.110 1
1 240 . 4 1 1 A 21 21 THR CB C 21 70.007 68.621 1.386 1
1 242 . 4 1 1 A 21 21 THR N N 21 113.989 118.042 -4.053 1
1 243 . 4 1 1 A 22 22 ASP H H 22 8.497 7.836 0.661 1
1 244 . 4 1 1 A 22 22 ASP HA H 22 4.737 4.316 0.421 1
1 247 . 4 1 1 A 22 22 ASP C C 22 176.877 176.443 0.434 1
1 248 . 4 1 1 A 22 22 ASP CA C 22 54.739 56.466 -1.727 1
1 249 . 4 1 1 A 22 22 ASP CB C 22 41.047 40.425 0.622 1
1 250 . 4 1 1 A 22 22 ASP N N 22 122.136 122.286 -0.150 1
1 251 . 4 1 1 A 23 23 GLY H H 23 8.499 8.530 -0.031 1
1 252 . 4 1 1 A 23 23 GLY HA2 H 23 4.087 3.929 0.158 1
1 253 . 4 1 1 A 23 23 GLY HA3 H 23 4.087 3.935 0.152 1
1 254 . 4 1 1 A 23 23 GLY C C 23 174.775 174.209 0.566 1
1 255 . 4 1 1 A 23 23 GLY CA C 23 45.815 46.520 -0.705 1
1 256 . 4 1 1 A 23 23 GLY N N 23 109.353 106.822 2.531 1
1 257 . 4 1 1 A 24 24 THR H H 24 8.151 8.302 -0.151 1
1 258 . 4 1 1 A 24 24 THR HA H 24 4.345 4.427 -0.082 1
1 263 . 4 1 1 A 24 24 THR C C 24 174.220 172.943 1.277 1
1 264 . 4 1 1 A 24 24 THR CA C 24 63.084 63.633 -0.549 1
1 265 . 4 1 1 A 24 24 THR CB C 24 69.889 67.828 2.061 1
1 267 . 4 1 1 A 24 24 THR N N 24 115.906 106.650 9.256 1
1 268 . 4 1 1 A 25 25 ASP H H 25 8.617 8.655 -0.038 1
1 269 . 4 1 1 A 25 25 ASP HA H 25 4.726 4.598 0.128 1
1 272 . 4 1 1 A 25 25 ASP C C 25 176.172 176.623 -0.451 1
1 273 . 4 1 1 A 25 25 ASP CA C 25 54.459 53.741 0.718 1
1 274 . 4 1 1 A 25 25 ASP CB C 25 41.038 40.696 0.342 1
1 275 . 4 1 1 A 25 25 ASP N N 25 123.841 124.523 -0.682 1
1 276 . 4 1 1 A 26 26 LEU H H 26 8.468 8.667 -0.199 1
1 277 . 4 1 1 A 26 26 LEU HA H 26 4.375 4.486 -0.111 1
1 287 . 4 1 1 A 26 26 LEU C C 26 176.307 176.128 0.179 1
1 288 . 4 1 1 A 26 26 LEU CA C 26 54.128 53.938 0.190 1
1 289 . 4 1 1 A 26 26 LEU CB C 26 41.100 42.732 -1.632 1
1 293 . 4 1 1 A 26 26 LEU N N 26 123.615 129.850 -6.235 1
1 294 . 4 1 1 A 27 27 SER H H 27 8.207 7.506 0.701 1
1 295 . 4 1 1 A 27 27 SER HA H 27 4.303 4.410 -0.107 1
1 298 . 4 1 1 A 27 27 SER C C 27 175.019 174.331 0.688 1
1 299 . 4 1 1 A 27 27 SER CA C 27 59.818 59.097 0.721 1
1 300 . 4 1 1 A 27 27 SER CB C 27 64.198 63.217 0.981 1
1 301 . 4 1 1 A 27 27 SER N N 27 115.102 113.833 1.269 1
1 302 . 4 1 1 A 28 28 GLY H H 28 8.581 8.544 0.037 1
1 303 . 4 1 1 A 28 28 GLY HA2 H 28 4.244 4.200 0.044 1
1 304 . 4 1 1 A 28 28 GLY HA3 H 28 3.890 4.203 -0.313 1
1 305 . 4 1 1 A 28 28 GLY C C 28 174.264 171.937 2.327 1
1 306 . 4 1 1 A 28 28 GLY CA C 28 45.393 44.800 0.593 1
1 307 . 4 1 1 A 28 28 GLY N N 28 111.287 110.646 0.641 1
1 308 . 4 1 1 A 29 29 ASP H H 29 8.680 8.483 0.197 1
1 309 . 4 1 1 A 29 29 ASP HA H 29 4.859 5.023 -0.164 1
1 312 . 4 1 1 A 29 29 ASP C C 29 176.461 176.771 -0.310 1
1 313 . 4 1 1 A 29 29 ASP CA C 29 54.284 53.800 0.484 1
1 314 . 4 1 1 A 29 29 ASP CB C 29 39.716 41.063 -1.347 1
1 315 . 4 1 1 A 29 29 ASP N N 29 123.263 120.595 2.668 1
1 316 . 4 1 1 A 30 30 PHE H H 30 8.064 8.487 -0.423 1
1 317 . 4 1 1 A 30 30 PHE HA H 30 4.766 4.574 0.192 1
1 325 . 4 1 1 A 30 30 PHE C C 30 175.486 176.396 -0.910 1
1 326 . 4 1 1 A 30 30 PHE CA C 30 57.460 57.505 -0.045 1
1 327 . 4 1 1 A 30 30 PHE CB C 30 40.521 39.456 1.065 1
1 333 . 4 1 1 A 30 30 PHE N N 30 122.340 121.785 0.555 1
1 334 . 4 1 1 A 31 31 LEU H H 31 7.535 7.541 -0.006 1
1 335 . 4 1 1 A 31 31 LEU HA H 31 3.309 3.708 -0.399 1
1 345 . 4 1 1 A 31 31 LEU C C 31 176.442 177.342 -0.900 1
1 346 . 4 1 1 A 31 31 LEU CA C 31 57.841 57.199 0.642 1
1 347 . 4 1 1 A 31 31 LEU CB C 31 42.121 41.689 0.432 1
1 351 . 4 1 1 A 31 31 LEU N N 31 118.974 121.995 -3.021 1
1 352 . 4 1 1 A 32 32 ASP H H 32 8.081 7.553 0.528 1
1 353 . 4 1 1 A 32 32 ASP HA H 32 5.057 4.603 0.454 1
1 356 . 4 1 1 A 32 32 ASP C C 32 176.035 176.141 -0.106 1
1 357 . 4 1 1 A 32 32 ASP CA C 32 53.745 55.268 -1.523 1
1 358 . 4 1 1 A 32 32 ASP CB C 32 41.757 41.888 -0.131 1
1 359 . 4 1 1 A 32 32 ASP N N 32 111.858 117.345 -5.487 1
1 360 . 4 1 1 A 33 33 LEU H H 33 7.223 7.220 0.003 1
1 361 . 4 1 1 A 33 33 LEU HA H 33 4.315 4.200 0.115 1
1 371 . 4 1 1 A 33 33 LEU C C 33 174.834 176.355 -1.521 1
1 372 . 4 1 1 A 33 33 LEU CA C 33 54.484 54.842 -0.358 1
1 373 . 4 1 1 A 33 33 LEU CB C 33 42.469 42.347 0.122 1
1 377 . 4 1 1 A 33 33 LEU N N 33 122.072 122.158 -0.086 1
1 378 . 4 1 1 A 34 34 ARG H H 34 8.486 8.821 -0.335 1
1 379 . 4 1 1 A 34 34 ARG HA H 34 4.746 4.346 0.400 1
1 387 . 4 1 1 A 34 34 ARG C C 34 179.695 177.821 1.874 1
1 388 . 4 1 1 A 34 34 ARG CA C 34 55.460 55.897 -0.437 1
1 389 . 4 1 1 A 34 34 ARG CB C 34 29.981 30.755 -0.774 1
1 393 . 4 1 1 A 34 34 ARG N N 34 116.268 123.414 -7.146 1
1 395 . 4 1 1 A 35 35 PHE H H 35 8.453 8.432 0.021 1
1 396 . 4 1 1 A 35 35 PHE HA H 35 4.398 4.258 0.140 1
1 404 . 4 1 1 A 35 35 PHE C C 35 178.728 178.214 0.514 1
1 405 . 4 1 1 A 35 35 PHE CA C 35 62.994 61.104 1.890 1
1 406 . 4 1 1 A 35 35 PHE CB C 35 37.964 38.371 -0.407 1
1 412 . 4 1 1 A 35 35 PHE N N 35 123.273 122.146 1.127 1
1 413 . 4 1 1 A 36 36 GLU H H 36 9.540 8.505 1.035 1
1 414 . 4 1 1 A 36 36 GLU HA H 36 4.357 4.136 0.221 1
1 419 . 4 1 1 A 36 36 GLU C C 36 178.636 178.113 0.523 1
1 420 . 4 1 1 A 36 36 GLU CA C 36 59.160 59.709 -0.549 1
1 421 . 4 1 1 A 36 36 GLU CB C 36 29.610 29.447 0.163 1
1 423 . 4 1 1 A 36 36 GLU N N 36 117.074 119.321 -2.247 1
1 424 . 4 1 1 A 37 37 ASP H H 37 7.532 7.939 -0.407 1
1 425 . 4 1 1 A 37 37 ASP HA H 37 4.811 4.414 0.397 1
1 428 . 4 1 1 A 37 37 ASP C C 37 177.974 177.628 0.346 1
1 429 . 4 1 1 A 37 37 ASP CA C 37 56.496 56.301 0.195 1
1 430 . 4 1 1 A 37 37 ASP CB C 37 41.271 40.995 0.276 1
1 431 . 4 1 1 A 37 37 ASP N N 37 118.229 119.254 -1.025 1
1 432 . 4 1 1 A 38 38 ILE H H 38 7.728 7.386 0.342 1
1 433 . 4 1 1 A 38 38 ILE HA H 38 4.676 4.369 0.307 1
1 443 . 4 1 1 A 38 38 ILE C C 38 176.102 176.312 -0.210 1
1 444 . 4 1 1 A 38 38 ILE CA C 38 61.973 60.480 1.493 1
1 445 . 4 1 1 A 38 38 ILE CB C 38 38.682 37.549 1.133 1
1 449 . 4 1 1 A 38 38 ILE N N 38 112.806 111.840 0.966 1
1 450 . 4 1 1 A 39 39 GLY H H 39 7.735 8.174 -0.439 1
1 451 . 4 1 1 A 39 39 GLY HA2 H 39 4.271 4.008 0.263 1
1 452 . 4 1 1 A 39 39 GLY HA3 H 39 3.898 4.016 -0.118 1
1 453 . 4 1 1 A 39 39 GLY C C 39 174.444 173.825 0.619 1
1 454 . 4 1 1 A 39 39 GLY CA C 39 46.438 46.607 -0.169 1
1 455 . 4 1 1 A 39 39 GLY N N 39 107.120 111.190 -4.070 1
1 456 . 4 1 1 A 40 40 TYR H H 40 8.081 8.114 -0.033 1
1 457 . 4 1 1 A 40 40 TYR HA H 40 4.586 5.015 -0.429 1
1 464 . 4 1 1 A 40 40 TYR C C 40 174.461 175.023 -0.562 1
1 465 . 4 1 1 A 40 40 TYR CA C 40 58.185 56.541 1.644 1
1 466 . 4 1 1 A 40 40 TYR CB C 40 40.424 41.422 -0.998 1
1 471 . 4 1 1 A 40 40 TYR N N 40 121.688 118.575 3.113 1
1 472 . 4 1 1 A 41 41 ASP H H 41 8.040 8.787 -0.747 1
1 473 . 4 1 1 A 41 41 ASP HA H 41 4.727 4.895 -0.168 1
1 476 . 4 1 1 A 41 41 ASP C C 41 175.980 177.455 -1.475 1
1 477 . 4 1 1 A 41 41 ASP CA C 41 52.812 53.363 -0.551 1
1 478 . 4 1 1 A 41 41 ASP CB C 41 42.068 41.653 0.415 1
1 479 . 4 1 1 A 41 41 ASP N N 41 124.041 125.034 -0.993 1
1 480 . 4 1 1 A 42 42 SER H H 42 8.561 8.942 -0.381 1
1 481 . 4 1 1 A 42 42 SER HA H 42 4.198 4.029 0.169 1
1 484 . 4 1 1 A 42 42 SER C C 42 176.472 176.768 -0.296 1
1 485 . 4 1 1 A 42 42 SER CA C 42 62.309 62.099 0.210 1
1 486 . 4 1 1 A 42 42 SER CB C 42 62.943 62.498 0.445 1
1 487 . 4 1 1 A 42 42 SER N N 42 114.493 118.035 -3.542 1
1 488 . 4 1 1 A 43 43 LEU H H 43 7.804 8.110 -0.306 1
1 489 . 4 1 1 A 43 43 LEU HA H 43 4.270 4.051 0.219 1
1 499 . 4 1 1 A 43 43 LEU C C 43 179.551 178.340 1.211 1
1 500 . 4 1 1 A 43 43 LEU CA C 43 58.369 58.025 0.344 1
1 501 . 4 1 1 A 43 43 LEU CB C 43 41.057 41.715 -0.658 1
1 505 . 4 1 1 A 43 43 LEU N N 43 122.459 124.637 -2.178 1
1 506 . 4 1 1 A 44 44 ALA H H 44 8.064 8.292 -0.228 1
1 507 . 4 1 1 A 44 44 ALA HA H 44 4.334 4.029 0.305 1
1 511 . 4 1 1 A 44 44 ALA C C 44 181.733 179.883 1.850 1
1 512 . 4 1 1 A 44 44 ALA CA C 44 54.987 55.237 -0.250 1
1 513 . 4 1 1 A 44 44 ALA CB C 44 18.500 18.238 0.262 1
1 514 . 4 1 1 A 44 44 ALA N N 44 123.223 121.138 2.085 1
1 515 . 4 1 1 A 45 45 LEU H H 45 8.422 8.085 0.337 1
1 516 . 4 1 1 A 45 45 LEU HA H 45 3.907 4.095 -0.188 1
1 526 . 4 1 1 A 45 45 LEU C C 45 178.613 178.873 -0.260 1
1 527 . 4 1 1 A 45 45 LEU CA C 45 58.419 57.753 0.666 1
1 528 . 4 1 1 A 45 45 LEU CB C 45 41.643 41.471 0.172 1
1 532 . 4 1 1 A 45 45 LEU N N 45 121.714 120.048 1.666 1
1 533 . 4 1 1 A 46 46 MET H H 46 8.344 8.571 -0.227 1
1 534 . 4 1 1 A 46 46 MET HA H 46 4.259 4.047 0.212 1
1 539 . 4 1 1 A 46 46 MET C C 46 179.856 178.359 1.497 1
1 540 . 4 1 1 A 46 46 MET CA C 46 58.769 58.824 -0.055 1
1 541 . 4 1 1 A 46 46 MET CB C 46 32.022 32.802 -0.780 1
1 543 . 4 1 1 A 46 46 MET N N 46 119.039 116.990 2.049 1
1 544 . 4 1 1 A 47 47 GLU H H 47 8.414 8.092 0.322 1
1 545 . 4 1 1 A 47 47 GLU HA H 47 4.257 4.113 0.144 1
1 550 . 4 1 1 A 47 47 GLU C C 47 179.208 179.479 -0.271 1
1 551 . 4 1 1 A 47 47 GLU CA C 47 59.504 59.095 0.409 1
1 552 . 4 1 1 A 47 47 GLU CB C 47 29.229 29.220 0.009 1
1 554 . 4 1 1 A 47 47 GLU N N 47 121.231 120.585 0.646 1
1 555 . 4 1 1 A 48 48 THR H H 48 8.329 7.752 0.577 1
1 556 . 4 1 1 A 48 48 THR HA H 48 3.962 4.160 -0.198 1
1 561 . 4 1 1 A 48 48 THR C C 48 176.334 176.354 -0.020 1
1 562 . 4 1 1 A 48 48 THR CA C 48 67.882 66.689 1.193 1
1 563 . 4 1 1 A 48 48 THR CB C 48 68.478 68.729 -0.251 1
1 565 . 4 1 1 A 48 48 THR N N 48 118.600 116.771 1.829 1
1 566 . 4 1 1 A 49 49 ALA H H 49 8.756 8.519 0.237 1
1 567 . 4 1 1 A 49 49 ALA HA H 49 3.963 3.961 0.002 1
1 571 . 4 1 1 A 49 49 ALA C C 49 178.615 179.393 -0.778 1
1 572 . 4 1 1 A 49 49 ALA CA C 49 56.227 55.457 0.770 1
1 573 . 4 1 1 A 49 49 ALA CB C 49 17.499 17.900 -0.401 1
1 574 . 4 1 1 A 49 49 ALA N N 49 123.599 122.819 0.780 1
1 575 . 4 1 1 A 50 50 ALA H H 50 8.191 8.294 -0.103 1
1 576 . 4 1 1 A 50 50 ALA HA H 50 4.281 4.199 0.082 1
1 580 . 4 1 1 A 50 50 ALA C C 50 181.272 180.220 1.052 1
1 581 . 4 1 1 A 50 50 ALA CA C 50 55.488 55.236 0.252 1
1 582 . 4 1 1 A 50 50 ALA CB C 50 18.107 18.614 -0.507 1
1 583 . 4 1 1 A 50 50 ALA N N 50 119.558 120.291 -0.733 1
1 584 . 4 1 1 A 51 51 ARG H H 51 8.146 7.798 0.348 1
1 585 . 4 1 1 A 51 51 ARG HA H 51 4.257 4.014 0.243 1
1 593 . 4 1 1 A 51 51 ARG C C 51 179.815 178.555 1.260 1
1 594 . 4 1 1 A 51 51 ARG CA C 51 59.591 59.215 0.376 1
1 595 . 4 1 1 A 51 51 ARG CB C 51 30.400 29.848 0.552 1
1 599 . 4 1 1 A 51 51 ARG N N 51 119.722 118.330 1.392 1
1 601 . 4 1 1 A 52 52 LEU H H 52 8.432 7.983 0.449 1
1 602 . 4 1 1 A 52 52 LEU HA H 52 4.330 4.007 0.323 1
1 612 . 4 1 1 A 52 52 LEU C C 52 179.152 179.278 -0.126 1
1 613 . 4 1 1 A 52 52 LEU CA C 52 58.139 58.115 0.024 1
1 614 . 4 1 1 A 52 52 LEU CB C 52 42.615 41.217 1.398 1
1 618 . 4 1 1 A 52 52 LEU N N 52 120.470 119.655 0.815 1
1 619 . 4 1 1 A 53 53 GLU H H 53 8.989 8.741 0.248 1
1 620 . 4 1 1 A 53 53 GLU HA H 53 4.105 3.988 0.117 1
1 625 . 4 1 1 A 53 53 GLU C C 53 179.370 178.827 0.543 1
1 626 . 4 1 1 A 53 53 GLU CA C 53 60.145 59.956 0.189 1
1 627 . 4 1 1 A 53 53 GLU CB C 53 29.184 29.300 -0.116 1
1 629 . 4 1 1 A 53 53 GLU N N 53 119.668 118.527 1.141 1
1 630 . 4 1 1 A 54 54 SER H H 54 8.028 8.327 -0.299 1
1 631 . 4 1 1 A 54 54 SER HA H 54 4.392 4.152 0.240 1
1 634 . 4 1 1 A 54 54 SER C C 54 176.891 176.069 0.822 1
1 635 . 4 1 1 A 54 54 SER CA C 54 61.162 61.714 -0.552 1
1 636 . 4 1 1 A 54 54 SER CB C 54 63.222 62.795 0.427 1
1 637 . 4 1 1 A 54 54 SER N N 54 112.842 117.156 -4.314 1
1 638 . 4 1 1 A 55 55 ARG H H 55 8.070 8.274 -0.204 1
1 639 . 4 1 1 A 55 55 ARG HA H 55 4.111 3.946 0.165 1
1 647 . 4 1 1 A 55 55 ARG C C 55 177.830 177.531 0.299 1
1 648 . 4 1 1 A 55 55 ARG CA C 55 58.824 58.801 0.023 1
1 649 . 4 1 1 A 55 55 ARG CB C 55 30.829 29.322 1.507 1
1 653 . 4 1 1 A 55 55 ARG N N 55 120.550 121.541 -0.991 1
1 655 . 4 1 1 A 56 56 TYR H H 56 8.171 7.724 0.447 1
1 656 . 4 1 1 A 56 56 TYR HA H 56 4.685 4.643 0.042 1
1 663 . 4 1 1 A 56 56 TYR C C 56 176.027 175.744 0.283 1
1 664 . 4 1 1 A 56 56 TYR CA C 56 59.110 57.812 1.298 1
1 665 . 4 1 1 A 56 56 TYR CB C 56 39.339 38.705 0.634 1
1 670 . 4 1 1 A 56 56 TYR N N 56 113.561 114.881 -1.320 1
1 671 . 4 1 1 A 57 57 GLY H H 57 7.998 8.076 -0.078 1
1 672 . 4 1 1 A 57 57 GLY HA2 H 57 4.105 3.968 0.137 1
1 673 . 4 1 1 A 57 57 GLY HA3 H 57 4.105 3.978 0.127 1
1 674 . 4 1 1 A 57 57 GLY C C 57 174.600 173.664 0.936 1
1 675 . 4 1 1 A 57 57 GLY CA C 57 47.349 47.249 0.100 1
1 676 . 4 1 1 A 57 57 GLY N N 57 109.470 110.293 -0.823 1
1 677 . 4 1 1 A 58 58 VAL H H 58 7.515 7.831 -0.316 1
1 678 . 4 1 1 A 58 58 VAL HA H 58 4.694 4.786 -0.092 1
1 686 . 4 1 1 A 58 58 VAL C C 58 174.016 173.103 0.913 1
1 687 . 4 1 1 A 58 58 VAL CA C 58 59.282 59.573 -0.291 1
1 688 . 4 1 1 A 58 58 VAL CB C 58 34.791 35.543 -0.752 1
1 691 . 4 1 1 A 58 58 VAL N N 58 112.406 119.473 -7.067 1
1 692 . 4 1 1 A 59 59 SER H H 59 8.489 8.744 -0.255 1
1 693 . 4 1 1 A 59 59 SER HA H 59 4.847 5.480 -0.633 1
1 696 . 4 1 1 A 59 59 SER C C 59 173.643 172.856 0.787 1
1 697 . 4 1 1 A 59 59 SER CA C 59 57.213 56.981 0.232 1
1 698 . 4 1 1 A 59 59 SER CB C 59 64.285 65.204 -0.919 1
1 699 . 4 1 1 A 59 59 SER N N 59 116.724 119.271 -2.547 1
1 700 . 4 1 1 A 60 60 ILE H H 60 8.224 9.033 -0.809 1
1 701 . 4 1 1 A 60 60 ILE HA H 60 4.676 4.601 0.075 1
1 711 . 4 1 1 A 60 60 ILE CA C 60 57.702 57.794 -0.092 1
1 712 . 4 1 1 A 60 60 ILE CB C 60 40.520 39.176 1.344 1
1 716 . 4 1 1 A 60 60 ILE N N 60 125.582 126.820 -1.238 1
1 717 . 4 1 1 A 61 61 PRO HA H 61 4.543 4.567 -0.024 1
1 724 . 4 1 1 A 61 61 PRO C C 61 177.547 177.171 0.376 1
1 725 . 4 1 1 A 61 61 PRO CA C 61 63.523 63.041 0.482 1
1 726 . 4 1 1 A 61 61 PRO CB C 61 32.704 31.567 1.137 1
1 729 . 4 1 1 A 62 62 ASP H H 62 8.857 8.743 0.114 1
1 730 . 4 1 1 A 62 62 ASP HA H 62 4.447 4.265 0.182 1
1 733 . 4 1 1 A 62 62 ASP C C 62 177.504 177.982 -0.478 1
1 734 . 4 1 1 A 62 62 ASP CA C 62 57.105 56.701 0.404 1
1 735 . 4 1 1 A 62 62 ASP CB C 62 40.668 39.742 0.926 1
1 736 . 4 1 1 A 62 62 ASP N N 62 123.624 125.269 -1.645 1
1 737 . 4 1 1 A 63 63 ASP H H 63 8.691 8.671 0.020 1
1 738 . 4 1 1 A 63 63 ASP HA H 63 4.508 4.331 0.177 1
1 741 . 4 1 1 A 63 63 ASP C C 63 177.468 178.146 -0.678 1
1 742 . 4 1 1 A 63 63 ASP CA C 63 55.267 56.699 -1.432 1
1 743 . 4 1 1 A 63 63 ASP CB C 63 39.691 39.545 0.146 1
1 744 . 4 1 1 A 63 63 ASP N N 63 116.744 119.529 -2.785 1
1 745 . 4 1 1 A 64 64 VAL H H 64 7.388 7.651 -0.263 1
1 746 . 4 1 1 A 64 64 VAL HA H 64 3.789 3.622 0.167 1
1 754 . 4 1 1 A 64 64 VAL C C 64 177.793 177.941 -0.148 1
1 755 . 4 1 1 A 64 64 VAL CA C 64 65.251 65.895 -0.644 1
1 756 . 4 1 1 A 64 64 VAL CB C 64 32.347 31.538 0.809 1
1 759 . 4 1 1 A 64 64 VAL N N 64 119.303 120.775 -1.472 1
1 760 . 4 1 1 A 65 65 ALA H H 65 8.212 8.030 0.182 1
1 761 . 4 1 1 A 65 65 ALA HA H 65 3.967 3.989 -0.022 1
1 765 . 4 1 1 A 65 65 ALA C C 65 178.005 179.338 -1.333 1
1 766 . 4 1 1 A 65 65 ALA CA C 65 55.196 55.204 -0.008 1
1 767 . 4 1 1 A 65 65 ALA CB C 65 18.373 18.421 -0.048 1
1 768 . 4 1 1 A 65 65 ALA N N 65 122.060 121.944 0.116 1
1 769 . 4 1 1 A 66 66 GLY H H 66 7.995 8.086 -0.091 1
1 770 . 4 1 1 A 66 66 GLY HA2 H 66 4.133 3.918 0.215 1
1 771 . 4 1 1 A 66 66 GLY HA3 H 66 3.912 3.940 -0.028 1
1 772 . 4 1 1 A 66 66 GLY C C 66 174.615 174.507 0.108 1
1 773 . 4 1 1 A 66 66 GLY CA C 66 45.925 45.720 0.205 1
1 774 . 4 1 1 A 66 66 GLY N N 66 99.445 105.156 -5.711 1
1 775 . 4 1 1 A 67 67 ARG H H 67 7.478 8.071 -0.593 1
1 776 . 4 1 1 A 67 67 ARG HA H 67 4.659 4.430 0.229 1
1 784 . 4 1 1 A 67 67 ARG C C 67 176.470 176.056 0.414 1
1 785 . 4 1 1 A 67 67 ARG CA C 67 55.647 56.194 -0.547 1
1 786 . 4 1 1 A 67 67 ARG CB C 67 31.843 30.899 0.944 1
1 790 . 4 1 1 A 67 67 ARG N N 67 116.761 118.534 -1.773 1
1 792 . 4 1 1 A 68 68 VAL H H 68 7.244 7.007 0.237 1
1 793 . 4 1 1 A 68 68 VAL HA H 68 4.437 4.198 0.239 1
1 801 . 4 1 1 A 68 68 VAL C C 68 175.250 175.531 -0.281 1
1 802 . 4 1 1 A 68 68 VAL CA C 68 61.919 61.812 0.107 1
1 803 . 4 1 1 A 68 68 VAL CB C 68 33.329 32.292 1.037 1
1 806 . 4 1 1 A 68 68 VAL N N 68 114.725 117.810 -3.085 1
1 807 . 4 1 1 A 69 69 ASP H H 69 9.180 8.904 0.276 1
1 808 . 4 1 1 A 69 69 ASP HA H 69 5.272 4.902 0.370 1
1 811 . 4 1 1 A 69 69 ASP C C 69 177.035 176.093 0.942 1
1 812 . 4 1 1 A 69 69 ASP CA C 69 55.862 55.778 0.084 1
1 813 . 4 1 1 A 69 69 ASP CB C 69 44.421 42.344 2.077 1
1 814 . 4 1 1 A 69 69 ASP N N 69 120.929 125.310 -4.381 1
1 815 . 4 1 1 A 70 70 THR H H 70 7.490 8.138 -0.648 1
1 816 . 4 1 1 A 70 70 THR HA H 70 4.969 4.422 0.547 1
1 821 . 4 1 1 A 70 70 THR CA C 70 57.776 58.214 -0.438 1
1 822 . 4 1 1 A 70 70 THR CB C 70 71.416 70.412 1.004 1
1 824 . 4 1 1 A 70 70 THR N N 70 107.879 108.585 -0.706 1
1 825 . 4 1 1 A 71 71 PRO HA H 71 4.247 4.316 -0.069 1
1 832 . 4 1 1 A 71 71 PRO C C 71 177.413 178.014 -0.601 1
1 833 . 4 1 1 A 71 71 PRO CA C 71 65.812 65.135 0.677 1
1 834 . 4 1 1 A 71 71 PRO CB C 71 32.647 31.461 1.186 1
1 837 . 4 1 1 A 72 72 ARG H H 72 9.000 8.413 0.587 1
1 838 . 4 1 1 A 72 72 ARG HA H 72 3.619 3.980 -0.361 1
1 850 . 4 1 1 A 72 72 ARG C C 72 177.530 178.598 -1.068 1
1 851 . 4 1 1 A 72 72 ARG CA C 72 60.211 58.994 1.217 1
1 852 . 4 1 1 A 72 72 ARG CB C 72 30.433 29.842 0.591 1
1 856 . 4 1 1 A 72 72 ARG N N 72 117.747 116.603 1.144 1
1 860 . 4 1 1 A 73 73 GLU H H 73 7.840 7.967 -0.127 1
1 861 . 4 1 1 A 73 73 GLU HA H 73 4.245 4.066 0.179 1
1 866 . 4 1 1 A 73 73 GLU C C 73 180.139 179.156 0.983 1
1 867 . 4 1 1 A 73 73 GLU CA C 73 59.071 58.717 0.354 1
1 868 . 4 1 1 A 73 73 GLU CB C 73 30.230 29.683 0.547 1
1 870 . 4 1 1 A 73 73 GLU N N 73 116.639 119.363 -2.724 1
1 871 . 4 1 1 A 74 74 LEU H H 74 7.693 7.587 0.106 1
1 872 . 4 1 1 A 74 74 LEU HA H 74 4.324 4.096 0.228 1
1 882 . 4 1 1 A 74 74 LEU C C 74 177.000 178.198 -1.198 1
1 883 . 4 1 1 A 74 74 LEU CA C 74 58.123 58.133 -0.010 1
1 884 . 4 1 1 A 74 74 LEU CB C 74 42.242 41.623 0.619 1
1 888 . 4 1 1 A 74 74 LEU N N 74 120.218 122.096 -1.878 1
1 889 . 4 1 1 A 75 75 LEU H H 75 8.731 8.360 0.371 1
1 890 . 4 1 1 A 75 75 LEU HA H 75 3.904 3.941 -0.037 1
1 900 . 4 1 1 A 75 75 LEU C C 75 178.122 177.966 0.156 1
1 901 . 4 1 1 A 75 75 LEU CA C 75 58.462 58.530 -0.068 1
1 902 . 4 1 1 A 75 75 LEU CB C 75 42.400 41.767 0.633 1
1 906 . 4 1 1 A 75 75 LEU N N 75 121.211 119.778 1.433 1
1 907 . 4 1 1 A 76 76 ASP H H 76 8.703 8.149 0.554 1
1 908 . 4 1 1 A 76 76 ASP HA H 76 4.497 4.259 0.238 1
1 911 . 4 1 1 A 76 76 ASP C C 76 180.101 178.455 1.646 1
1 912 . 4 1 1 A 76 76 ASP CA C 76 57.325 57.724 -0.399 1
1 913 . 4 1 1 A 76 76 ASP CB C 76 39.936 41.520 -1.584 1
1 914 . 4 1 1 A 76 76 ASP N N 76 117.466 118.868 -1.402 1
1 915 . 4 1 1 A 77 77 LEU H H 77 8.019 8.386 -0.367 1
1 916 . 4 1 1 A 77 77 LEU HA H 77 4.282 4.000 0.282 1
1 926 . 4 1 1 A 77 77 LEU C C 77 179.840 179.576 0.264 1
1 927 . 4 1 1 A 77 77 LEU CA C 77 58.417 58.265 0.152 1
1 928 . 4 1 1 A 77 77 LEU CB C 77 42.856 41.778 1.078 1
1 932 . 4 1 1 A 77 77 LEU N N 77 122.891 119.308 3.583 1
1 933 . 4 1 1 A 78 78 ILE H H 78 8.281 7.791 0.490 1
1 934 . 4 1 1 A 78 78 ILE HA H 78 3.756 3.854 -0.098 1
1 944 . 4 1 1 A 78 78 ILE C C 78 177.655 177.949 -0.294 1
1 945 . 4 1 1 A 78 78 ILE CA C 78 64.638 64.445 0.193 1
1 946 . 4 1 1 A 78 78 ILE CB C 78 37.325 36.647 0.678 1
1 950 . 4 1 1 A 78 78 ILE N N 78 119.758 120.836 -1.078 1
1 951 . 4 1 1 A 79 79 ASN H H 79 8.880 8.872 0.008 1
1 952 . 4 1 1 A 79 79 ASN HA H 79 4.918 4.372 0.546 1
1 957 . 4 1 1 A 79 79 ASN C C 79 179.481 179.079 0.402 1
1 958 . 4 1 1 A 79 79 ASN CA C 79 55.446 56.184 -0.738 1
1 959 . 4 1 1 A 79 79 ASN CB C 79 37.299 37.639 -0.340 1
1 960 . 4 1 1 A 79 79 ASN N N 79 117.848 119.388 -1.540 1
1 962 . 4 1 1 A 80 80 GLY H H 80 8.441 8.697 -0.256 1
1 963 . 4 1 1 A 80 80 GLY HA2 H 80 4.036 3.801 0.235 1
1 964 . 4 1 1 A 80 80 GLY HA3 H 80 4.036 3.806 0.230 1
1 965 . 4 1 1 A 80 80 GLY C C 80 175.746 176.137 -0.391 1
1 966 . 4 1 1 A 80 80 GLY CA C 80 47.065 47.161 -0.096 1
1 967 . 4 1 1 A 80 80 GLY N N 80 110.120 108.843 1.277 1
1 968 . 4 1 1 A 81 81 ALA H H 81 7.604 7.525 0.079 1
1 969 . 4 1 1 A 81 81 ALA HA H 81 4.467 3.987 0.480 1
1 973 . 4 1 1 A 81 81 ALA C C 81 180.565 180.455 0.110 1
1 974 . 4 1 1 A 81 81 ALA CA C 81 54.298 54.480 -0.182 1
1 975 . 4 1 1 A 81 81 ALA CB C 81 18.530 18.458 0.072 1
1 976 . 4 1 1 A 81 81 ALA N N 81 124.070 125.319 -1.249 1
1 977 . 4 1 1 A 82 82 LEU H H 82 8.299 8.177 0.122 1
1 978 . 4 1 1 A 82 82 LEU HA H 82 4.219 4.000 0.219 1
1 988 . 4 1 1 A 82 82 LEU C C 82 178.837 179.322 -0.485 1
1 989 . 4 1 1 A 82 82 LEU CA C 82 56.967 57.864 -0.897 1
1 990 . 4 1 1 A 82 82 LEU CB C 82 42.610 41.073 1.537 1
1 994 . 4 1 1 A 82 82 LEU N N 82 119.823 120.393 -0.570 1
1 995 . 4 1 1 A 83 83 ALA H H 83 7.964 8.202 -0.238 1
1 996 . 4 1 1 A 83 83 ALA HA H 83 4.298 4.059 0.239 1
1 1000 . 4 1 1 A 83 83 ALA C C 83 178.739 178.542 0.197 1
1 1001 . 4 1 1 A 83 83 ALA CA C 83 53.965 54.847 -0.882 1
1 1002 . 4 1 1 A 83 83 ALA CB C 83 18.917 18.250 0.667 1
1 1003 . 4 1 1 A 83 83 ALA N N 83 121.306 122.152 -0.846 1
1 1004 . 4 1 1 A 84 84 GLU H H 84 7.746 7.998 -0.252 1
1 1005 . 4 1 1 A 84 84 GLU HA H 84 4.396 4.328 0.068 1
1 1010 . 4 1 1 A 84 84 GLU C C 84 176.347 175.767 0.580 1
1 1011 . 4 1 1 A 84 84 GLU CA C 84 56.739 55.793 0.946 1
1 1012 . 4 1 1 A 84 84 GLU CB C 84 30.126 28.767 1.359 1
1 1014 . 4 1 1 A 84 84 GLU N N 84 117.080 113.591 3.489 1
1 1015 . 4 1 1 A 85 85 ALA H H 85 7.832 7.234 0.598 1
1 1016 . 4 1 1 A 85 85 ALA HA H 85 4.485 4.404 0.081 1
1 1020 . 4 1 1 A 85 85 ALA C C 85 176.564 176.349 0.215 1
1 1021 . 4 1 1 A 85 85 ALA CA C 85 52.485 51.588 0.897 1
1 1022 . 4 1 1 A 85 85 ALA CB C 85 19.529 20.928 -1.399 1
1 1023 . 4 1 1 A 85 85 ALA N N 85 124.010 123.336 0.674 1
1 1 . 5 1 1 A 2 2 ALA HA H 2 4.297 4.318 -0.021 1
1 5 . 5 1 1 A 2 2 ALA C C 2 173.708 177.583 -3.875 1
1 6 . 5 1 1 A 2 2 ALA CA C 2 51.945 53.314 -1.369 1
1 7 . 5 1 1 A 2 2 ALA CB C 2 19.979 19.966 0.013 1
1 8 . 5 1 1 A 3 3 THR H H 3 8.680 7.878 0.802 1
1 9 . 5 1 1 A 3 3 THR HA H 3 4.411 4.698 -0.287 1
1 14 . 5 1 1 A 3 3 THR C C 3 172.914 174.263 -1.349 1
1 15 . 5 1 1 A 3 3 THR CA C 3 62.665 60.936 1.729 1
1 16 . 5 1 1 A 3 3 THR CB C 3 69.902 70.025 -0.123 1
1 18 . 5 1 1 A 3 3 THR N N 3 117.458 113.068 4.390 1
1 19 . 5 1 1 A 4 4 LEU H H 4 8.145 8.491 -0.346 1
1 20 . 5 1 1 A 4 4 LEU HA H 4 4.384 3.858 0.526 1
1 30 . 5 1 1 A 4 4 LEU C C 4 177.176 174.737 2.439 1
1 31 . 5 1 1 A 4 4 LEU CA C 4 54.765 57.105 -2.340 1
1 32 . 5 1 1 A 4 4 LEU CB C 4 42.790 40.875 1.915 1
1 36 . 5 1 1 A 4 4 LEU N N 4 124.380 122.871 1.509 1
1 37 . 5 1 1 A 5 5 LEU H H 5 9.419 8.409 1.010 1
1 38 . 5 1 1 A 5 5 LEU HA H 5 4.536 5.008 -0.472 1
1 48 . 5 1 1 A 5 5 LEU C C 5 177.849 176.665 1.184 1
1 49 . 5 1 1 A 5 5 LEU CA C 5 55.488 53.334 2.154 1
1 50 . 5 1 1 A 5 5 LEU CB C 5 42.700 43.970 -1.270 1
1 54 . 5 1 1 A 5 5 LEU N N 5 124.415 122.368 2.047 1
1 55 . 5 1 1 A 6 6 THR H H 6 8.995 9.099 -0.104 1
1 56 . 5 1 1 A 6 6 THR HA H 6 4.783 4.778 0.005 1
1 61 . 5 1 1 A 6 6 THR C C 6 175.943 176.328 -0.385 1
1 62 . 5 1 1 A 6 6 THR CA C 6 59.961 59.978 -0.017 1
1 63 . 5 1 1 A 6 6 THR CB C 6 72.429 71.122 1.307 1
1 65 . 5 1 1 A 6 6 THR N N 6 114.757 115.442 -0.685 1
1 66 . 5 1 1 A 7 7 THR H H 7 8.851 8.929 -0.078 1
1 67 . 5 1 1 A 7 7 THR HA H 7 3.881 3.915 -0.034 1
1 72 . 5 1 1 A 7 7 THR C C 7 176.566 175.930 0.636 1
1 73 . 5 1 1 A 7 7 THR CA C 7 67.277 67.017 0.260 1
1 74 . 5 1 1 A 7 7 THR CB C 7 68.542 68.723 -0.181 1
1 76 . 5 1 1 A 7 7 THR N N 7 115.540 117.036 -1.496 1
1 77 . 5 1 1 A 8 8 ASP H H 8 8.279 8.366 -0.087 1
1 78 . 5 1 1 A 8 8 ASP HA H 8 4.638 4.373 0.265 1
1 81 . 5 1 1 A 8 8 ASP C C 8 178.553 178.000 0.553 1
1 82 . 5 1 1 A 8 8 ASP CA C 8 57.738 58.065 -0.327 1
1 83 . 5 1 1 A 8 8 ASP CB C 8 41.219 41.820 -0.601 1
1 84 . 5 1 1 A 8 8 ASP N N 8 119.967 121.534 -1.567 1
1 85 . 5 1 1 A 9 9 ASP H H 9 7.905 7.633 0.272 1
1 86 . 5 1 1 A 9 9 ASP HA H 9 4.573 4.508 0.065 1
1 89 . 5 1 1 A 9 9 ASP C C 9 179.411 178.673 0.738 1
1 90 . 5 1 1 A 9 9 ASP CA C 9 57.667 57.588 0.079 1
1 91 . 5 1 1 A 9 9 ASP CB C 9 41.453 40.528 0.925 1
1 92 . 5 1 1 A 9 9 ASP N N 9 120.222 118.504 1.718 1
1 93 . 5 1 1 A 10 10 LEU H H 10 8.097 8.057 0.040 1
1 94 . 5 1 1 A 10 10 LEU HA H 10 4.225 4.168 0.057 1
1 104 . 5 1 1 A 10 10 LEU C C 10 177.475 178.541 -1.066 1
1 105 . 5 1 1 A 10 10 LEU CA C 10 57.959 57.848 0.111 1
1 106 . 5 1 1 A 10 10 LEU CB C 10 42.013 42.056 -0.043 1
1 110 . 5 1 1 A 10 10 LEU N N 10 121.315 121.140 0.175 1
1 111 . 5 1 1 A 11 11 ARG H H 11 8.841 8.117 0.724 1
1 112 . 5 1 1 A 11 11 ARG HA H 11 3.524 3.629 -0.105 1
1 120 . 5 1 1 A 11 11 ARG C C 11 177.728 178.589 -0.861 1
1 121 . 5 1 1 A 11 11 ARG CA C 11 60.662 59.870 0.792 1
1 122 . 5 1 1 A 11 11 ARG CB C 11 30.618 30.024 0.594 1
1 126 . 5 1 1 A 11 11 ARG N N 11 119.774 119.210 0.564 1
1 128 . 5 1 1 A 12 12 ARG H H 12 7.988 7.783 0.205 1
1 129 . 5 1 1 A 12 12 ARG HA H 12 4.041 4.014 0.027 1
1 137 . 5 1 1 A 12 12 ARG C C 12 178.452 178.300 0.152 1
1 138 . 5 1 1 A 12 12 ARG CA C 12 59.748 59.105 0.643 1
1 139 . 5 1 1 A 12 12 ARG CB C 12 30.414 30.088 0.326 1
1 143 . 5 1 1 A 12 12 ARG N N 12 115.529 119.297 -3.768 1
1 145 . 5 1 1 A 13 13 ALA H H 13 7.722 7.932 -0.210 1
1 146 . 5 1 1 A 13 13 ALA HA H 13 4.412 4.151 0.261 1
1 150 . 5 1 1 A 13 13 ALA C C 13 180.069 179.925 0.144 1
1 151 . 5 1 1 A 13 13 ALA CA C 13 54.990 55.314 -0.324 1
1 152 . 5 1 1 A 13 13 ALA CB C 13 18.654 18.748 -0.094 1
1 153 . 5 1 1 A 13 13 ALA N N 13 119.900 122.841 -2.941 1
1 154 . 5 1 1 A 14 14 LEU H H 14 8.419 7.886 0.533 1
1 155 . 5 1 1 A 14 14 LEU HA H 14 4.418 4.187 0.231 1
1 165 . 5 1 1 A 14 14 LEU C C 14 180.574 179.946 0.628 1
1 166 . 5 1 1 A 14 14 LEU CA C 14 57.488 57.617 -0.129 1
1 167 . 5 1 1 A 14 14 LEU CB C 14 42.008 41.131 0.877 1
1 171 . 5 1 1 A 14 14 LEU N N 14 119.013 118.128 0.885 1
1 172 . 5 1 1 A 15 15 VAL H H 15 8.501 8.030 0.471 1
1 173 . 5 1 1 A 15 15 VAL HA H 15 3.929 3.590 0.339 1
1 181 . 5 1 1 A 15 15 VAL C C 15 178.956 177.631 1.325 1
1 182 . 5 1 1 A 15 15 VAL CA C 15 66.056 66.741 -0.685 1
1 183 . 5 1 1 A 15 15 VAL CB C 15 32.053 31.504 0.549 1
1 186 . 5 1 1 A 15 15 VAL N N 15 120.534 119.588 0.946 1
1 187 . 5 1 1 A 16 16 GLU H H 16 8.238 8.477 -0.239 1
1 188 . 5 1 1 A 16 16 GLU HA H 16 4.216 3.959 0.257 1
1 193 . 5 1 1 A 16 16 GLU C C 16 178.530 178.987 -0.457 1
1 194 . 5 1 1 A 16 16 GLU CA C 16 58.963 59.734 -0.771 1
1 195 . 5 1 1 A 16 16 GLU CB C 16 29.866 29.487 0.379 1
1 197 . 5 1 1 A 16 16 GLU N N 16 119.771 119.823 -0.052 1
1 198 . 5 1 1 A 17 17 SER H H 17 7.808 8.129 -0.321 1
1 199 . 5 1 1 A 17 17 SER HA H 17 4.581 4.230 0.351 1
1 202 . 5 1 1 A 17 17 SER C C 17 174.239 177.127 -2.888 1
1 203 . 5 1 1 A 17 17 SER CA C 17 59.839 61.410 -1.571 1
1 204 . 5 1 1 A 17 17 SER CB C 17 64.127 62.524 1.603 1
1 205 . 5 1 1 A 17 17 SER N N 17 113.608 114.563 -0.955 1
1 206 . 5 1 1 A 18 18 ALA H H 18 7.809 7.541 0.268 1
1 207 . 5 1 1 A 18 18 ALA HA H 18 4.358 4.143 0.215 1
1 211 . 5 1 1 A 18 18 ALA C C 18 178.239 178.326 -0.087 1
1 212 . 5 1 1 A 18 18 ALA CA C 18 52.975 53.233 -0.258 1
1 213 . 5 1 1 A 18 18 ALA CB C 18 19.808 19.571 0.237 1
1 214 . 5 1 1 A 18 18 ALA N N 18 123.180 121.690 1.490 1
1 215 . 5 1 1 A 19 19 GLY H H 19 8.241 8.311 -0.070 1
1 216 . 5 1 1 A 19 19 GLY HA2 H 19 4.060 4.066 -0.006 1
1 217 . 5 1 1 A 19 19 GLY HA3 H 19 4.060 4.070 -0.010 1
1 218 . 5 1 1 A 19 19 GLY C C 19 174.390 175.003 -0.613 1
1 219 . 5 1 1 A 19 19 GLY CA C 19 45.570 45.312 0.258 1
1 220 . 5 1 1 A 19 19 GLY N N 19 107.414 105.106 2.308 1
1 221 . 5 1 1 A 20 20 GLU H H 20 8.501 8.751 -0.250 1
1 222 . 5 1 1 A 20 20 GLU HA H 20 4.481 4.466 0.015 1
1 227 . 5 1 1 A 20 20 GLU C C 20 176.860 177.386 -0.526 1
1 228 . 5 1 1 A 20 20 GLU CA C 20 56.810 56.376 0.434 1
1 229 . 5 1 1 A 20 20 GLU CB C 20 30.060 29.716 0.344 1
1 231 . 5 1 1 A 20 20 GLU N N 20 120.517 126.090 -5.573 1
1 232 . 5 1 1 A 21 21 THR H H 21 8.251 7.738 0.513 1
1 233 . 5 1 1 A 21 21 THR HA H 21 4.526 4.426 0.100 1
1 238 . 5 1 1 A 21 21 THR C C 21 174.520 174.873 -0.353 1
1 239 . 5 1 1 A 21 21 THR CA C 21 61.836 61.155 0.681 1
1 240 . 5 1 1 A 21 21 THR CB C 21 70.007 68.626 1.381 1
1 242 . 5 1 1 A 21 21 THR N N 21 113.989 111.213 2.776 1
1 243 . 5 1 1 A 22 22 ASP H H 22 8.497 8.237 0.260 1
1 244 . 5 1 1 A 22 22 ASP HA H 22 4.737 4.264 0.473 1
1 247 . 5 1 1 A 22 22 ASP C C 22 176.877 176.380 0.497 1
1 248 . 5 1 1 A 22 22 ASP CA C 22 54.739 56.731 -1.992 1
1 249 . 5 1 1 A 22 22 ASP CB C 22 41.047 39.131 1.916 1
1 250 . 5 1 1 A 22 22 ASP N N 22 122.136 116.178 5.958 1
1 251 . 5 1 1 A 23 23 GLY H H 23 8.499 8.738 -0.239 1
1 252 . 5 1 1 A 23 23 GLY HA2 H 23 4.087 3.949 0.138 1
1 253 . 5 1 1 A 23 23 GLY HA3 H 23 4.087 4.025 0.062 1
1 254 . 5 1 1 A 23 23 GLY C C 23 174.775 174.540 0.235 1
1 255 . 5 1 1 A 23 23 GLY CA C 23 45.815 45.731 0.084 1
1 256 . 5 1 1 A 23 23 GLY N N 23 109.353 107.301 2.052 1
1 257 . 5 1 1 A 24 24 THR H H 24 8.151 8.533 -0.382 1
1 258 . 5 1 1 A 24 24 THR HA H 24 4.345 4.370 -0.025 1
1 263 . 5 1 1 A 24 24 THR C C 24 174.220 173.231 0.989 1
1 264 . 5 1 1 A 24 24 THR CA C 24 63.084 62.349 0.735 1
1 265 . 5 1 1 A 24 24 THR CB C 24 69.889 68.813 1.076 1
1 267 . 5 1 1 A 24 24 THR N N 24 115.906 114.067 1.839 1
1 268 . 5 1 1 A 25 25 ASP H H 25 8.617 8.504 0.113 1
1 269 . 5 1 1 A 25 25 ASP HA H 25 4.726 4.876 -0.150 1
1 272 . 5 1 1 A 25 25 ASP C C 25 176.172 175.155 1.017 1
1 273 . 5 1 1 A 25 25 ASP CA C 25 54.459 53.342 1.117 1
1 274 . 5 1 1 A 25 25 ASP CB C 25 41.038 41.036 0.002 1
1 275 . 5 1 1 A 25 25 ASP N N 25 123.841 121.948 1.893 1
1 276 . 5 1 1 A 26 26 LEU H H 26 8.468 8.970 -0.502 1
1 277 . 5 1 1 A 26 26 LEU HA H 26 4.375 4.540 -0.165 1
1 287 . 5 1 1 A 26 26 LEU C C 26 176.307 176.604 -0.297 1
1 288 . 5 1 1 A 26 26 LEU CA C 26 54.128 53.638 0.490 1
1 289 . 5 1 1 A 26 26 LEU CB C 26 41.100 42.428 -1.328 1
1 293 . 5 1 1 A 26 26 LEU N N 26 123.615 127.308 -3.693 1
1 294 . 5 1 1 A 27 27 SER H H 27 8.207 7.653 0.554 1
1 295 . 5 1 1 A 27 27 SER HA H 27 4.303 4.288 0.015 1
1 298 . 5 1 1 A 27 27 SER C C 27 175.019 175.451 -0.432 1
1 299 . 5 1 1 A 27 27 SER CA C 27 59.818 59.909 -0.091 1
1 300 . 5 1 1 A 27 27 SER CB C 27 64.198 63.663 0.535 1
1 301 . 5 1 1 A 27 27 SER N N 27 115.102 116.584 -1.482 1
1 302 . 5 1 1 A 28 28 GLY H H 28 8.581 8.601 -0.020 1
1 303 . 5 1 1 A 28 28 GLY HA2 H 28 4.244 4.074 0.170 1
1 304 . 5 1 1 A 28 28 GLY HA3 H 28 3.890 4.075 -0.185 1
1 305 . 5 1 1 A 28 28 GLY C C 28 174.264 173.664 0.600 1
1 306 . 5 1 1 A 28 28 GLY CA C 28 45.393 44.820 0.573 1
1 307 . 5 1 1 A 28 28 GLY N N 28 111.287 111.425 -0.138 1
1 308 . 5 1 1 A 29 29 ASP H H 29 8.680 8.316 0.364 1
1 309 . 5 1 1 A 29 29 ASP HA H 29 4.859 5.111 -0.252 1
1 312 . 5 1 1 A 29 29 ASP C C 29 176.461 176.254 0.207 1
1 313 . 5 1 1 A 29 29 ASP CA C 29 54.284 53.737 0.547 1
1 314 . 5 1 1 A 29 29 ASP CB C 29 39.716 41.459 -1.743 1
1 315 . 5 1 1 A 29 29 ASP N N 29 123.263 120.523 2.740 1
1 316 . 5 1 1 A 30 30 PHE H H 30 8.064 8.466 -0.402 1
1 317 . 5 1 1 A 30 30 PHE HA H 30 4.766 4.901 -0.135 1
1 325 . 5 1 1 A 30 30 PHE C C 30 175.486 176.460 -0.974 1
1 326 . 5 1 1 A 30 30 PHE CA C 30 57.460 56.832 0.628 1
1 327 . 5 1 1 A 30 30 PHE CB C 30 40.521 39.504 1.017 1
1 333 . 5 1 1 A 30 30 PHE N N 30 122.340 117.174 5.166 1
1 334 . 5 1 1 A 31 31 LEU H H 31 7.535 7.569 -0.034 1
1 335 . 5 1 1 A 31 31 LEU HA H 31 3.309 3.628 -0.319 1
1 345 . 5 1 1 A 31 31 LEU C C 31 176.442 177.614 -1.172 1
1 346 . 5 1 1 A 31 31 LEU CA C 31 57.841 57.478 0.363 1
1 347 . 5 1 1 A 31 31 LEU CB C 31 42.121 41.463 0.658 1
1 351 . 5 1 1 A 31 31 LEU N N 31 118.974 122.314 -3.340 1
1 352 . 5 1 1 A 32 32 ASP H H 32 8.081 8.261 -0.180 1
1 353 . 5 1 1 A 32 32 ASP HA H 32 5.057 4.609 0.448 1
1 356 . 5 1 1 A 32 32 ASP C C 32 176.035 175.850 0.185 1
1 357 . 5 1 1 A 32 32 ASP CA C 32 53.745 53.523 0.222 1
1 358 . 5 1 1 A 32 32 ASP CB C 32 41.757 40.270 1.487 1
1 359 . 5 1 1 A 32 32 ASP N N 32 111.858 114.788 -2.930 1
1 360 . 5 1 1 A 33 33 LEU H H 33 7.223 7.365 -0.142 1
1 361 . 5 1 1 A 33 33 LEU HA H 33 4.315 4.245 0.070 1
1 371 . 5 1 1 A 33 33 LEU C C 33 174.834 175.757 -0.923 1
1 372 . 5 1 1 A 33 33 LEU CA C 33 54.484 54.465 0.019 1
1 373 . 5 1 1 A 33 33 LEU CB C 33 42.469 41.306 1.163 1
1 377 . 5 1 1 A 33 33 LEU N N 33 122.072 122.607 -0.535 1
1 378 . 5 1 1 A 34 34 ARG H H 34 8.486 8.737 -0.251 1
1 379 . 5 1 1 A 34 34 ARG HA H 34 4.746 4.178 0.568 1
1 387 . 5 1 1 A 34 34 ARG C C 34 179.695 177.729 1.966 1
1 388 . 5 1 1 A 34 34 ARG CA C 34 55.460 56.188 -0.728 1
1 389 . 5 1 1 A 34 34 ARG CB C 34 29.981 30.670 -0.689 1
1 393 . 5 1 1 A 34 34 ARG N N 34 116.268 125.217 -8.949 1
1 395 . 5 1 1 A 35 35 PHE H H 35 8.453 8.277 0.176 1
1 396 . 5 1 1 A 35 35 PHE HA H 35 4.398 4.248 0.150 1
1 404 . 5 1 1 A 35 35 PHE C C 35 178.728 178.411 0.317 1
1 405 . 5 1 1 A 35 35 PHE CA C 35 62.994 61.121 1.873 1
1 406 . 5 1 1 A 35 35 PHE CB C 35 37.964 38.668 -0.704 1
1 412 . 5 1 1 A 35 35 PHE N N 35 123.273 122.003 1.270 1
1 413 . 5 1 1 A 36 36 GLU H H 36 9.540 8.580 0.960 1
1 414 . 5 1 1 A 36 36 GLU HA H 36 4.357 4.029 0.328 1
1 419 . 5 1 1 A 36 36 GLU C C 36 178.636 178.282 0.354 1
1 420 . 5 1 1 A 36 36 GLU CA C 36 59.160 60.327 -1.167 1
1 421 . 5 1 1 A 36 36 GLU CB C 36 29.610 29.277 0.333 1
1 423 . 5 1 1 A 36 36 GLU N N 36 117.074 118.857 -1.783 1
1 424 . 5 1 1 A 37 37 ASP H H 37 7.532 7.778 -0.246 1
1 425 . 5 1 1 A 37 37 ASP HA H 37 4.811 4.443 0.368 1
1 428 . 5 1 1 A 37 37 ASP C C 37 177.974 177.565 0.409 1
1 429 . 5 1 1 A 37 37 ASP CA C 37 56.496 56.291 0.205 1
1 430 . 5 1 1 A 37 37 ASP CB C 37 41.271 41.010 0.261 1
1 431 . 5 1 1 A 37 37 ASP N N 37 118.229 119.831 -1.602 1
1 432 . 5 1 1 A 38 38 ILE H H 38 7.728 7.471 0.257 1
1 433 . 5 1 1 A 38 38 ILE HA H 38 4.676 4.373 0.303 1
1 443 . 5 1 1 A 38 38 ILE C C 38 176.102 176.083 0.019 1
1 444 . 5 1 1 A 38 38 ILE CA C 38 61.973 60.502 1.471 1
1 445 . 5 1 1 A 38 38 ILE CB C 38 38.682 37.572 1.110 1
1 449 . 5 1 1 A 38 38 ILE N N 38 112.806 112.272 0.534 1
1 450 . 5 1 1 A 39 39 GLY H H 39 7.735 8.036 -0.301 1
1 451 . 5 1 1 A 39 39 GLY HA2 H 39 4.271 3.973 0.298 1
1 452 . 5 1 1 A 39 39 GLY HA3 H 39 3.898 3.978 -0.080 1
1 453 . 5 1 1 A 39 39 GLY C C 39 174.444 174.068 0.376 1
1 454 . 5 1 1 A 39 39 GLY CA C 39 46.438 46.222 0.216 1
1 455 . 5 1 1 A 39 39 GLY N N 39 107.120 110.737 -3.617 1
1 456 . 5 1 1 A 40 40 TYR H H 40 8.081 8.103 -0.022 1
1 457 . 5 1 1 A 40 40 TYR HA H 40 4.586 4.817 -0.231 1
1 464 . 5 1 1 A 40 40 TYR C C 40 174.461 175.045 -0.584 1
1 465 . 5 1 1 A 40 40 TYR CA C 40 58.185 56.871 1.314 1
1 466 . 5 1 1 A 40 40 TYR CB C 40 40.424 39.489 0.935 1
1 471 . 5 1 1 A 40 40 TYR N N 40 121.688 118.607 3.081 1
1 472 . 5 1 1 A 41 41 ASP H H 41 8.040 8.828 -0.788 1
1 473 . 5 1 1 A 41 41 ASP HA H 41 4.727 4.867 -0.140 1
1 476 . 5 1 1 A 41 41 ASP C C 41 175.980 177.552 -1.572 1
1 477 . 5 1 1 A 41 41 ASP CA C 41 52.812 53.983 -1.171 1
1 478 . 5 1 1 A 41 41 ASP CB C 41 42.068 41.838 0.230 1
1 479 . 5 1 1 A 41 41 ASP N N 41 124.041 125.715 -1.674 1
1 480 . 5 1 1 A 42 42 SER H H 42 8.561 9.017 -0.456 1
1 481 . 5 1 1 A 42 42 SER HA H 42 4.198 4.063 0.135 1
1 484 . 5 1 1 A 42 42 SER C C 42 176.472 176.755 -0.283 1
1 485 . 5 1 1 A 42 42 SER CA C 42 62.309 62.154 0.155 1
1 486 . 5 1 1 A 42 42 SER CB C 42 62.943 62.437 0.506 1
1 487 . 5 1 1 A 42 42 SER N N 42 114.493 118.172 -3.679 1
1 488 . 5 1 1 A 43 43 LEU H H 43 7.804 8.085 -0.281 1
1 489 . 5 1 1 A 43 43 LEU HA H 43 4.270 4.044 0.226 1
1 499 . 5 1 1 A 43 43 LEU C C 43 179.551 178.341 1.210 1
1 500 . 5 1 1 A 43 43 LEU CA C 43 58.369 58.024 0.345 1
1 501 . 5 1 1 A 43 43 LEU CB C 43 41.057 41.735 -0.678 1
1 505 . 5 1 1 A 43 43 LEU N N 43 122.459 124.489 -2.030 1
1 506 . 5 1 1 A 44 44 ALA H H 44 8.064 8.288 -0.224 1
1 507 . 5 1 1 A 44 44 ALA HA H 44 4.334 3.970 0.364 1
1 511 . 5 1 1 A 44 44 ALA C C 44 181.733 180.025 1.708 1
1 512 . 5 1 1 A 44 44 ALA CA C 44 54.987 55.146 -0.159 1
1 513 . 5 1 1 A 44 44 ALA CB C 44 18.500 17.942 0.558 1
1 514 . 5 1 1 A 44 44 ALA N N 44 123.223 120.928 2.295 1
1 515 . 5 1 1 A 45 45 LEU H H 45 8.422 8.302 0.120 1
1 516 . 5 1 1 A 45 45 LEU HA H 45 3.907 4.170 -0.263 1
1 526 . 5 1 1 A 45 45 LEU C C 45 178.613 178.770 -0.157 1
1 527 . 5 1 1 A 45 45 LEU CA C 45 58.419 57.805 0.614 1
1 528 . 5 1 1 A 45 45 LEU CB C 45 41.643 41.459 0.184 1
1 532 . 5 1 1 A 45 45 LEU N N 45 121.714 120.168 1.546 1
1 533 . 5 1 1 A 46 46 MET H H 46 8.344 8.550 -0.206 1
1 534 . 5 1 1 A 46 46 MET HA H 46 4.259 4.030 0.229 1
1 539 . 5 1 1 A 46 46 MET C C 46 179.856 178.477 1.379 1
1 540 . 5 1 1 A 46 46 MET CA C 46 58.769 58.898 -0.129 1
1 541 . 5 1 1 A 46 46 MET CB C 46 32.022 32.948 -0.926 1
1 543 . 5 1 1 A 46 46 MET N N 46 119.039 117.259 1.780 1
1 544 . 5 1 1 A 47 47 GLU H H 47 8.414 8.112 0.302 1
1 545 . 5 1 1 A 47 47 GLU HA H 47 4.257 4.027 0.230 1
1 550 . 5 1 1 A 47 47 GLU C C 47 179.208 179.253 -0.045 1
1 551 . 5 1 1 A 47 47 GLU CA C 47 59.504 59.307 0.197 1
1 552 . 5 1 1 A 47 47 GLU CB C 47 29.229 29.362 -0.133 1
1 554 . 5 1 1 A 47 47 GLU N N 47 121.231 120.425 0.806 1
1 555 . 5 1 1 A 48 48 THR H H 48 8.329 7.895 0.434 1
1 556 . 5 1 1 A 48 48 THR HA H 48 3.962 3.935 0.027 1
1 561 . 5 1 1 A 48 48 THR C C 48 176.334 176.492 -0.158 1
1 562 . 5 1 1 A 48 48 THR CA C 48 67.882 66.651 1.231 1
1 563 . 5 1 1 A 48 48 THR CB C 48 68.478 68.746 -0.268 1
1 565 . 5 1 1 A 48 48 THR N N 48 118.600 116.957 1.643 1
1 566 . 5 1 1 A 49 49 ALA H H 49 8.756 8.675 0.081 1
1 567 . 5 1 1 A 49 49 ALA HA H 49 3.963 3.959 0.004 1
1 571 . 5 1 1 A 49 49 ALA C C 49 178.615 179.260 -0.645 1
1 572 . 5 1 1 A 49 49 ALA CA C 49 56.227 55.297 0.930 1
1 573 . 5 1 1 A 49 49 ALA CB C 49 17.499 18.058 -0.559 1
1 574 . 5 1 1 A 49 49 ALA N N 49 123.599 122.981 0.618 1
1 575 . 5 1 1 A 50 50 ALA H H 50 8.191 8.457 -0.266 1
1 576 . 5 1 1 A 50 50 ALA HA H 50 4.281 4.396 -0.115 1
1 580 . 5 1 1 A 50 50 ALA C C 50 181.272 180.204 1.068 1
1 581 . 5 1 1 A 50 50 ALA CA C 50 55.488 55.238 0.250 1
1 582 . 5 1 1 A 50 50 ALA CB C 50 18.107 18.584 -0.477 1
1 583 . 5 1 1 A 50 50 ALA N N 50 119.558 120.397 -0.839 1
1 584 . 5 1 1 A 51 51 ARG H H 51 8.146 7.729 0.417 1
1 585 . 5 1 1 A 51 51 ARG HA H 51 4.257 4.054 0.203 1
1 593 . 5 1 1 A 51 51 ARG C C 51 179.815 178.597 1.218 1
1 594 . 5 1 1 A 51 51 ARG CA C 51 59.591 59.147 0.444 1
1 595 . 5 1 1 A 51 51 ARG CB C 51 30.400 29.957 0.443 1
1 599 . 5 1 1 A 51 51 ARG N N 51 119.722 118.666 1.056 1
1 601 . 5 1 1 A 52 52 LEU H H 52 8.432 8.040 0.392 1
1 602 . 5 1 1 A 52 52 LEU HA H 52 4.330 4.154 0.176 1
1 612 . 5 1 1 A 52 52 LEU C C 52 179.152 179.381 -0.229 1
1 613 . 5 1 1 A 52 52 LEU CA C 52 58.139 58.163 -0.024 1
1 614 . 5 1 1 A 52 52 LEU CB C 52 42.615 41.352 1.263 1
1 618 . 5 1 1 A 52 52 LEU N N 52 120.470 119.567 0.903 1
1 619 . 5 1 1 A 53 53 GLU H H 53 8.989 8.725 0.264 1
1 620 . 5 1 1 A 53 53 GLU HA H 53 4.105 3.994 0.111 1
1 625 . 5 1 1 A 53 53 GLU C C 53 179.370 178.825 0.545 1
1 626 . 5 1 1 A 53 53 GLU CA C 53 60.145 59.712 0.433 1
1 627 . 5 1 1 A 53 53 GLU CB C 53 29.184 29.425 -0.241 1
1 629 . 5 1 1 A 53 53 GLU N N 53 119.668 119.270 0.398 1
1 630 . 5 1 1 A 54 54 SER H H 54 8.028 7.954 0.074 1
1 631 . 5 1 1 A 54 54 SER HA H 54 4.392 4.185 0.207 1
1 634 . 5 1 1 A 54 54 SER C C 54 176.891 177.355 -0.464 1
1 635 . 5 1 1 A 54 54 SER CA C 54 61.162 61.387 -0.225 1
1 636 . 5 1 1 A 54 54 SER CB C 54 63.222 62.840 0.382 1
1 637 . 5 1 1 A 54 54 SER N N 54 112.842 115.110 -2.268 1
1 638 . 5 1 1 A 55 55 ARG H H 55 8.070 8.424 -0.354 1
1 639 . 5 1 1 A 55 55 ARG HA H 55 4.111 4.006 0.105 1
1 647 . 5 1 1 A 55 55 ARG C C 55 177.830 177.738 0.092 1
1 648 . 5 1 1 A 55 55 ARG CA C 55 58.824 59.069 -0.245 1
1 649 . 5 1 1 A 55 55 ARG CB C 55 30.829 29.931 0.898 1
1 653 . 5 1 1 A 55 55 ARG N N 55 120.550 121.793 -1.243 1
1 655 . 5 1 1 A 56 56 TYR H H 56 8.171 7.856 0.315 1
1 656 . 5 1 1 A 56 56 TYR HA H 56 4.685 4.638 0.047 1
1 663 . 5 1 1 A 56 56 TYR C C 56 176.027 175.741 0.286 1
1 664 . 5 1 1 A 56 56 TYR CA C 56 59.110 57.805 1.305 1
1 665 . 5 1 1 A 56 56 TYR CB C 56 39.339 38.717 0.622 1
1 670 . 5 1 1 A 56 56 TYR N N 56 113.561 115.152 -1.591 1
1 671 . 5 1 1 A 57 57 GLY H H 57 7.998 8.295 -0.297 1
1 672 . 5 1 1 A 57 57 GLY HA2 H 57 4.105 3.982 0.123 1
1 673 . 5 1 1 A 57 57 GLY HA3 H 57 4.105 3.988 0.117 1
1 674 . 5 1 1 A 57 57 GLY C C 57 174.600 173.692 0.908 1
1 675 . 5 1 1 A 57 57 GLY CA C 57 47.349 47.090 0.259 1
1 676 . 5 1 1 A 57 57 GLY N N 57 109.470 110.142 -0.672 1
1 677 . 5 1 1 A 58 58 VAL H H 58 7.515 7.707 -0.192 1
1 678 . 5 1 1 A 58 58 VAL HA H 58 4.694 4.829 -0.135 1
1 686 . 5 1 1 A 58 58 VAL C C 58 174.016 173.295 0.721 1
1 687 . 5 1 1 A 58 58 VAL CA C 58 59.282 59.453 -0.171 1
1 688 . 5 1 1 A 58 58 VAL CB C 58 34.791 35.513 -0.722 1
1 691 . 5 1 1 A 58 58 VAL N N 58 112.406 119.485 -7.079 1
1 692 . 5 1 1 A 59 59 SER H H 59 8.489 8.711 -0.222 1
1 693 . 5 1 1 A 59 59 SER HA H 59 4.847 5.561 -0.714 1
1 696 . 5 1 1 A 59 59 SER C C 59 173.643 172.969 0.674 1
1 697 . 5 1 1 A 59 59 SER CA C 59 57.213 56.941 0.272 1
1 698 . 5 1 1 A 59 59 SER CB C 59 64.285 65.750 -1.465 1
1 699 . 5 1 1 A 59 59 SER N N 59 116.724 119.087 -2.363 1
1 700 . 5 1 1 A 60 60 ILE H H 60 8.224 9.522 -1.298 1
1 701 . 5 1 1 A 60 60 ILE HA H 60 4.676 4.675 0.001 1
1 711 . 5 1 1 A 60 60 ILE CA C 60 57.702 57.842 -0.140 1
1 712 . 5 1 1 A 60 60 ILE CB C 60 40.520 40.868 -0.348 1
1 716 . 5 1 1 A 60 60 ILE N N 60 125.582 125.005 0.577 1
1 717 . 5 1 1 A 61 61 PRO HA H 61 4.543 4.628 -0.085 1
1 724 . 5 1 1 A 61 61 PRO C C 61 177.547 177.205 0.342 1
1 725 . 5 1 1 A 61 61 PRO CA C 61 63.523 63.077 0.446 1
1 726 . 5 1 1 A 61 61 PRO CB C 61 32.704 31.791 0.913 1
1 729 . 5 1 1 A 62 62 ASP H H 62 8.857 8.802 0.055 1
1 730 . 5 1 1 A 62 62 ASP HA H 62 4.447 4.287 0.160 1
1 733 . 5 1 1 A 62 62 ASP C C 62 177.504 178.199 -0.695 1
1 734 . 5 1 1 A 62 62 ASP CA C 62 57.105 56.893 0.212 1
1 735 . 5 1 1 A 62 62 ASP CB C 62 40.668 39.759 0.909 1
1 736 . 5 1 1 A 62 62 ASP N N 62 123.624 124.733 -1.109 1
1 737 . 5 1 1 A 63 63 ASP H H 63 8.691 8.222 0.469 1
1 738 . 5 1 1 A 63 63 ASP HA H 63 4.508 4.412 0.096 1
1 741 . 5 1 1 A 63 63 ASP C C 63 177.468 178.358 -0.890 1
1 742 . 5 1 1 A 63 63 ASP CA C 63 55.267 57.090 -1.823 1
1 743 . 5 1 1 A 63 63 ASP CB C 63 39.691 41.102 -1.411 1
1 744 . 5 1 1 A 63 63 ASP N N 63 116.744 120.384 -3.640 1
1 745 . 5 1 1 A 64 64 VAL H H 64 7.388 7.613 -0.225 1
1 746 . 5 1 1 A 64 64 VAL HA H 64 3.789 3.610 0.179 1
1 754 . 5 1 1 A 64 64 VAL C C 64 177.793 177.963 -0.170 1
1 755 . 5 1 1 A 64 64 VAL CA C 64 65.251 65.996 -0.745 1
1 756 . 5 1 1 A 64 64 VAL CB C 64 32.347 31.569 0.778 1
1 759 . 5 1 1 A 64 64 VAL N N 64 119.303 119.180 0.123 1
1 760 . 5 1 1 A 65 65 ALA H H 65 8.212 8.575 -0.363 1
1 761 . 5 1 1 A 65 65 ALA HA H 65 3.967 4.003 -0.036 1
1 765 . 5 1 1 A 65 65 ALA C C 65 178.005 179.379 -1.374 1
1 766 . 5 1 1 A 65 65 ALA CA C 65 55.196 55.202 -0.006 1
1 767 . 5 1 1 A 65 65 ALA CB C 65 18.373 18.504 -0.131 1
1 768 . 5 1 1 A 65 65 ALA N N 65 122.060 122.073 -0.013 1
1 769 . 5 1 1 A 66 66 GLY H H 66 7.995 8.411 -0.416 1
1 770 . 5 1 1 A 66 66 GLY HA2 H 66 4.133 3.939 0.194 1
1 771 . 5 1 1 A 66 66 GLY HA3 H 66 3.912 3.946 -0.034 1
1 772 . 5 1 1 A 66 66 GLY C C 66 174.615 174.822 -0.207 1
1 773 . 5 1 1 A 66 66 GLY CA C 66 45.925 45.776 0.149 1
1 774 . 5 1 1 A 66 66 GLY N N 66 99.445 105.117 -5.672 1
1 775 . 5 1 1 A 67 67 ARG H H 67 7.478 8.027 -0.549 1
1 776 . 5 1 1 A 67 67 ARG HA H 67 4.659 4.334 0.325 1
1 784 . 5 1 1 A 67 67 ARG C C 67 176.470 175.908 0.562 1
1 785 . 5 1 1 A 67 67 ARG CA C 67 55.647 57.496 -1.849 1
1 786 . 5 1 1 A 67 67 ARG CB C 67 31.843 30.829 1.014 1
1 790 . 5 1 1 A 67 67 ARG N N 67 116.761 120.184 -3.423 1
1 792 . 5 1 1 A 68 68 VAL H H 68 7.244 6.990 0.254 1
1 793 . 5 1 1 A 68 68 VAL HA H 68 4.437 4.117 0.320 1
1 801 . 5 1 1 A 68 68 VAL C C 68 175.250 175.616 -0.366 1
1 802 . 5 1 1 A 68 68 VAL CA C 68 61.919 61.944 -0.025 1
1 803 . 5 1 1 A 68 68 VAL CB C 68 33.329 32.338 0.991 1
1 806 . 5 1 1 A 68 68 VAL N N 68 114.725 115.807 -1.082 1
1 807 . 5 1 1 A 69 69 ASP H H 69 9.180 9.130 0.050 1
1 808 . 5 1 1 A 69 69 ASP HA H 69 5.272 4.820 0.452 1
1 811 . 5 1 1 A 69 69 ASP C C 69 177.035 176.016 1.019 1
1 812 . 5 1 1 A 69 69 ASP CA C 69 55.862 55.687 0.175 1
1 813 . 5 1 1 A 69 69 ASP CB C 69 44.421 42.188 2.233 1
1 814 . 5 1 1 A 69 69 ASP N N 69 120.929 125.356 -4.427 1
1 815 . 5 1 1 A 70 70 THR H H 70 7.490 7.764 -0.274 1
1 816 . 5 1 1 A 70 70 THR HA H 70 4.969 4.291 0.678 1
1 821 . 5 1 1 A 70 70 THR CA C 70 57.776 58.413 -0.637 1
1 822 . 5 1 1 A 70 70 THR CB C 70 71.416 70.105 1.311 1
1 824 . 5 1 1 A 70 70 THR N N 70 107.879 108.985 -1.106 1
1 825 . 5 1 1 A 71 71 PRO HA H 71 4.247 4.249 -0.002 1
1 832 . 5 1 1 A 71 71 PRO C C 71 177.413 177.681 -0.268 1
1 833 . 5 1 1 A 71 71 PRO CA C 71 65.812 65.140 0.672 1
1 834 . 5 1 1 A 71 71 PRO CB C 71 32.647 31.416 1.231 1
1 837 . 5 1 1 A 72 72 ARG H H 72 9.000 7.647 1.353 1
1 838 . 5 1 1 A 72 72 ARG HA H 72 3.619 3.965 -0.346 1
1 850 . 5 1 1 A 72 72 ARG C C 72 177.530 178.728 -1.198 1
1 851 . 5 1 1 A 72 72 ARG CA C 72 60.211 59.188 1.023 1
1 852 . 5 1 1 A 72 72 ARG CB C 72 30.433 29.997 0.436 1
1 856 . 5 1 1 A 72 72 ARG N N 72 117.747 118.316 -0.569 1
1 860 . 5 1 1 A 73 73 GLU H H 73 7.840 7.888 -0.048 1
1 861 . 5 1 1 A 73 73 GLU HA H 73 4.245 4.036 0.209 1
1 866 . 5 1 1 A 73 73 GLU C C 73 180.139 179.363 0.776 1
1 867 . 5 1 1 A 73 73 GLU CA C 73 59.071 58.767 0.304 1
1 868 . 5 1 1 A 73 73 GLU CB C 73 30.230 29.567 0.663 1
1 870 . 5 1 1 A 73 73 GLU N N 73 116.639 118.274 -1.635 1
1 871 . 5 1 1 A 74 74 LEU H H 74 7.693 7.681 0.012 1
1 872 . 5 1 1 A 74 74 LEU HA H 74 4.324 4.092 0.232 1
1 882 . 5 1 1 A 74 74 LEU C C 74 177.000 178.170 -1.170 1
1 883 . 5 1 1 A 74 74 LEU CA C 74 58.123 58.111 0.012 1
1 884 . 5 1 1 A 74 74 LEU CB C 74 42.242 41.680 0.562 1
1 888 . 5 1 1 A 74 74 LEU N N 74 120.218 121.958 -1.740 1
1 889 . 5 1 1 A 75 75 LEU H H 75 8.731 8.275 0.456 1
1 890 . 5 1 1 A 75 75 LEU HA H 75 3.904 3.943 -0.039 1
1 900 . 5 1 1 A 75 75 LEU C C 75 178.122 177.994 0.128 1
1 901 . 5 1 1 A 75 75 LEU CA C 75 58.462 58.023 0.439 1
1 902 . 5 1 1 A 75 75 LEU CB C 75 42.400 40.543 1.857 1
1 906 . 5 1 1 A 75 75 LEU N N 75 121.211 119.716 1.495 1
1 907 . 5 1 1 A 76 76 ASP H H 76 8.703 8.162 0.541 1
1 908 . 5 1 1 A 76 76 ASP HA H 76 4.497 4.256 0.241 1
1 911 . 5 1 1 A 76 76 ASP C C 76 180.101 178.317 1.784 1
1 912 . 5 1 1 A 76 76 ASP CA C 76 57.325 57.613 -0.288 1
1 913 . 5 1 1 A 76 76 ASP CB C 76 39.936 41.293 -1.357 1
1 914 . 5 1 1 A 76 76 ASP N N 76 117.466 118.751 -1.285 1
1 915 . 5 1 1 A 77 77 LEU H H 77 8.019 8.016 0.003 1
1 916 . 5 1 1 A 77 77 LEU HA H 77 4.282 4.005 0.277 1
1 926 . 5 1 1 A 77 77 LEU C C 77 179.840 178.544 1.296 1
1 927 . 5 1 1 A 77 77 LEU CA C 77 58.417 58.613 -0.196 1
1 928 . 5 1 1 A 77 77 LEU CB C 77 42.856 41.704 1.152 1
1 932 . 5 1 1 A 77 77 LEU N N 77 122.891 120.271 2.620 1
1 933 . 5 1 1 A 78 78 ILE H H 78 8.281 8.161 0.120 1
1 934 . 5 1 1 A 78 78 ILE HA H 78 3.756 3.405 0.351 1
1 944 . 5 1 1 A 78 78 ILE C C 78 177.655 177.762 -0.107 1
1 945 . 5 1 1 A 78 78 ILE CA C 78 64.638 65.663 -1.025 1
1 946 . 5 1 1 A 78 78 ILE CB C 78 37.325 38.023 -0.698 1
1 950 . 5 1 1 A 78 78 ILE N N 78 119.758 119.978 -0.220 1
1 951 . 5 1 1 A 79 79 ASN H H 79 8.880 9.065 -0.185 1
1 952 . 5 1 1 A 79 79 ASN HA H 79 4.918 4.370 0.548 1
1 957 . 5 1 1 A 79 79 ASN C C 79 179.481 179.131 0.350 1
1 958 . 5 1 1 A 79 79 ASN CA C 79 55.446 56.164 -0.718 1
1 959 . 5 1 1 A 79 79 ASN CB C 79 37.299 37.707 -0.408 1
1 960 . 5 1 1 A 79 79 ASN N N 79 117.848 118.239 -0.391 1
1 962 . 5 1 1 A 80 80 GLY H H 80 8.441 8.608 -0.167 1
1 963 . 5 1 1 A 80 80 GLY HA2 H 80 4.036 3.835 0.201 1
1 964 . 5 1 1 A 80 80 GLY HA3 H 80 4.036 3.837 0.199 1
1 965 . 5 1 1 A 80 80 GLY C C 80 175.746 176.352 -0.606 1
1 966 . 5 1 1 A 80 80 GLY CA C 80 47.065 47.211 -0.146 1
1 967 . 5 1 1 A 80 80 GLY N N 80 110.120 108.767 1.353 1
1 968 . 5 1 1 A 81 81 ALA H H 81 7.604 7.920 -0.316 1
1 969 . 5 1 1 A 81 81 ALA HA H 81 4.467 3.979 0.488 1
1 973 . 5 1 1 A 81 81 ALA C C 81 180.565 179.183 1.382 1
1 974 . 5 1 1 A 81 81 ALA CA C 81 54.298 54.673 -0.375 1
1 975 . 5 1 1 A 81 81 ALA CB C 81 18.530 18.384 0.146 1
1 976 . 5 1 1 A 81 81 ALA N N 81 124.070 125.137 -1.067 1
1 977 . 5 1 1 A 82 82 LEU H H 82 8.299 8.697 -0.398 1
1 978 . 5 1 1 A 82 82 LEU HA H 82 4.219 4.102 0.117 1
1 988 . 5 1 1 A 82 82 LEU C C 82 178.837 178.714 0.123 1
1 989 . 5 1 1 A 82 82 LEU CA C 82 56.967 57.455 -0.488 1
1 990 . 5 1 1 A 82 82 LEU CB C 82 42.610 41.364 1.246 1
1 994 . 5 1 1 A 82 82 LEU N N 82 119.823 120.686 -0.863 1
1 995 . 5 1 1 A 83 83 ALA H H 83 7.964 7.913 0.051 1
1 996 . 5 1 1 A 83 83 ALA HA H 83 4.298 4.038 0.260 1
1 1000 . 5 1 1 A 83 83 ALA C C 83 178.739 178.969 -0.230 1
1 1001 . 5 1 1 A 83 83 ALA CA C 83 53.965 54.877 -0.912 1
1 1002 . 5 1 1 A 83 83 ALA CB C 83 18.917 17.965 0.952 1
1 1003 . 5 1 1 A 83 83 ALA N N 83 121.306 120.757 0.549 1
1 1004 . 5 1 1 A 84 84 GLU H H 84 7.746 7.527 0.219 1
1 1005 . 5 1 1 A 84 84 GLU HA H 84 4.396 4.318 0.078 1
1 1010 . 5 1 1 A 84 84 GLU C C 84 176.347 176.890 -0.543 1
1 1011 . 5 1 1 A 84 84 GLU CA C 84 56.739 57.971 -1.232 1
1 1012 . 5 1 1 A 84 84 GLU CB C 84 30.126 30.017 0.109 1
1 1014 . 5 1 1 A 84 84 GLU N N 84 117.080 115.299 1.781 1
1 1015 . 5 1 1 A 85 85 ALA H H 85 7.832 7.243 0.589 1
1 1016 . 5 1 1 A 85 85 ALA HA H 85 4.485 4.213 0.272 1
1 1020 . 5 1 1 A 85 85 ALA C C 85 176.564 177.006 -0.442 1
1 1021 . 5 1 1 A 85 85 ALA CA C 85 52.485 52.647 -0.162 1
1 1022 . 5 1 1 A 85 85 ALA CB C 85 19.529 19.502 0.027 1
1 1023 . 5 1 1 A 85 85 ALA N N 85 124.010 122.768 1.242 1
1 1 . 6 1 1 A 2 2 ALA HA H 2 4.297 4.482 -0.185 1
1 5 . 6 1 1 A 2 2 ALA C C 2 173.708 177.093 -3.385 1
1 6 . 6 1 1 A 2 2 ALA CA C 2 51.945 52.609 -0.664 1
1 7 . 6 1 1 A 2 2 ALA CB C 2 19.979 18.582 1.397 1
1 8 . 6 1 1 A 3 3 THR H H 3 8.680 8.835 -0.155 1
1 9 . 6 1 1 A 3 3 THR HA H 3 4.411 4.510 -0.099 1
1 14 . 6 1 1 A 3 3 THR C C 3 172.914 174.040 -1.126 1
1 15 . 6 1 1 A 3 3 THR CA C 3 62.665 61.714 0.951 1
1 16 . 6 1 1 A 3 3 THR CB C 3 69.902 69.618 0.284 1
1 18 . 6 1 1 A 3 3 THR N N 3 117.458 120.028 -2.570 1
1 19 . 6 1 1 A 4 4 LEU H H 4 8.145 8.367 -0.222 1
1 20 . 6 1 1 A 4 4 LEU HA H 4 4.384 4.253 0.131 1
1 30 . 6 1 1 A 4 4 LEU C C 4 177.176 175.681 1.495 1
1 31 . 6 1 1 A 4 4 LEU CA C 4 54.765 55.651 -0.886 1
1 32 . 6 1 1 A 4 4 LEU CB C 4 42.790 42.956 -0.166 1
1 36 . 6 1 1 A 4 4 LEU N N 4 124.380 129.802 -5.422 1
1 37 . 6 1 1 A 5 5 LEU H H 5 9.419 8.298 1.121 1
1 38 . 6 1 1 A 5 5 LEU HA H 5 4.536 4.971 -0.435 1
1 48 . 6 1 1 A 5 5 LEU C C 5 177.849 176.598 1.251 1
1 49 . 6 1 1 A 5 5 LEU CA C 5 55.488 53.277 2.211 1
1 50 . 6 1 1 A 5 5 LEU CB C 5 42.700 42.795 -0.095 1
1 54 . 6 1 1 A 5 5 LEU N N 5 124.415 126.739 -2.324 1
1 55 . 6 1 1 A 6 6 THR H H 6 8.995 8.993 0.002 1
1 56 . 6 1 1 A 6 6 THR HA H 6 4.783 4.787 -0.004 1
1 61 . 6 1 1 A 6 6 THR C C 6 175.943 176.202 -0.259 1
1 62 . 6 1 1 A 6 6 THR CA C 6 59.961 60.040 -0.079 1
1 63 . 6 1 1 A 6 6 THR CB C 6 72.429 70.092 2.337 1
1 65 . 6 1 1 A 6 6 THR N N 6 114.757 115.785 -1.028 1
1 66 . 6 1 1 A 7 7 THR H H 7 8.851 8.921 -0.070 1
1 67 . 6 1 1 A 7 7 THR HA H 7 3.881 3.837 0.044 1
1 72 . 6 1 1 A 7 7 THR C C 7 176.566 175.827 0.739 1
1 73 . 6 1 1 A 7 7 THR CA C 7 67.277 67.165 0.112 1
1 74 . 6 1 1 A 7 7 THR CB C 7 68.542 68.730 -0.188 1
1 76 . 6 1 1 A 7 7 THR N N 7 115.540 116.780 -1.240 1
1 77 . 6 1 1 A 8 8 ASP H H 8 8.279 8.378 -0.099 1
1 78 . 6 1 1 A 8 8 ASP HA H 8 4.638 4.381 0.257 1
1 81 . 6 1 1 A 8 8 ASP C C 8 178.553 178.068 0.485 1
1 82 . 6 1 1 A 8 8 ASP CA C 8 57.738 58.094 -0.356 1
1 83 . 6 1 1 A 8 8 ASP CB C 8 41.219 42.242 -1.023 1
1 84 . 6 1 1 A 8 8 ASP N N 8 119.967 121.585 -1.618 1
1 85 . 6 1 1 A 9 9 ASP H H 9 7.905 7.928 -0.023 1
1 86 . 6 1 1 A 9 9 ASP HA H 9 4.573 4.513 0.060 1
1 89 . 6 1 1 A 9 9 ASP C C 9 179.411 178.728 0.683 1
1 90 . 6 1 1 A 9 9 ASP CA C 9 57.667 57.504 0.163 1
1 91 . 6 1 1 A 9 9 ASP CB C 9 41.453 40.995 0.458 1
1 92 . 6 1 1 A 9 9 ASP N N 9 120.222 118.581 1.641 1
1 93 . 6 1 1 A 10 10 LEU H H 10 8.097 8.215 -0.118 1
1 94 . 6 1 1 A 10 10 LEU HA H 10 4.225 4.172 0.053 1
1 104 . 6 1 1 A 10 10 LEU C C 10 177.475 178.442 -0.967 1
1 105 . 6 1 1 A 10 10 LEU CA C 10 57.959 57.772 0.187 1
1 106 . 6 1 1 A 10 10 LEU CB C 10 42.013 41.967 0.046 1
1 110 . 6 1 1 A 10 10 LEU N N 10 121.315 120.774 0.541 1
1 111 . 6 1 1 A 11 11 ARG H H 11 8.841 8.484 0.357 1
1 112 . 6 1 1 A 11 11 ARG HA H 11 3.524 4.039 -0.515 1
1 120 . 6 1 1 A 11 11 ARG C C 11 177.728 178.676 -0.948 1
1 121 . 6 1 1 A 11 11 ARG CA C 11 60.662 59.976 0.686 1
1 122 . 6 1 1 A 11 11 ARG CB C 11 30.618 30.198 0.420 1
1 126 . 6 1 1 A 11 11 ARG N N 11 119.774 119.321 0.453 1
1 128 . 6 1 1 A 12 12 ARG H H 12 7.988 7.623 0.365 1
1 129 . 6 1 1 A 12 12 ARG HA H 12 4.041 4.052 -0.011 1
1 137 . 6 1 1 A 12 12 ARG C C 12 178.452 177.985 0.467 1
1 138 . 6 1 1 A 12 12 ARG CA C 12 59.748 59.331 0.417 1
1 139 . 6 1 1 A 12 12 ARG CB C 12 30.414 30.166 0.248 1
1 143 . 6 1 1 A 12 12 ARG N N 12 115.529 119.304 -3.775 1
1 145 . 6 1 1 A 13 13 ALA H H 13 7.722 7.669 0.053 1
1 146 . 6 1 1 A 13 13 ALA HA H 13 4.412 4.177 0.235 1
1 150 . 6 1 1 A 13 13 ALA C C 13 180.069 180.126 -0.057 1
1 151 . 6 1 1 A 13 13 ALA CA C 13 54.990 55.048 -0.058 1
1 152 . 6 1 1 A 13 13 ALA CB C 13 18.654 18.308 0.346 1
1 153 . 6 1 1 A 13 13 ALA N N 13 119.900 122.011 -2.111 1
1 154 . 6 1 1 A 14 14 LEU H H 14 8.419 7.909 0.510 1
1 155 . 6 1 1 A 14 14 LEU HA H 14 4.418 4.096 0.322 1
1 165 . 6 1 1 A 14 14 LEU C C 14 180.574 179.196 1.378 1
1 166 . 6 1 1 A 14 14 LEU CA C 14 57.488 58.095 -0.607 1
1 167 . 6 1 1 A 14 14 LEU CB C 14 42.008 41.983 0.025 1
1 171 . 6 1 1 A 14 14 LEU N N 14 119.013 118.342 0.671 1
1 172 . 6 1 1 A 15 15 VAL H H 15 8.501 8.115 0.386 1
1 173 . 6 1 1 A 15 15 VAL HA H 15 3.929 4.053 -0.124 1
1 181 . 6 1 1 A 15 15 VAL C C 15 178.956 177.899 1.057 1
1 182 . 6 1 1 A 15 15 VAL CA C 15 66.056 66.932 -0.876 1
1 183 . 6 1 1 A 15 15 VAL CB C 15 32.053 31.377 0.676 1
1 186 . 6 1 1 A 15 15 VAL N N 15 120.534 119.022 1.512 1
1 187 . 6 1 1 A 16 16 GLU H H 16 8.238 8.875 -0.637 1
1 188 . 6 1 1 A 16 16 GLU HA H 16 4.216 3.967 0.249 1
1 193 . 6 1 1 A 16 16 GLU C C 16 178.530 179.382 -0.852 1
1 194 . 6 1 1 A 16 16 GLU CA C 16 58.963 59.789 -0.826 1
1 195 . 6 1 1 A 16 16 GLU CB C 16 29.866 29.272 0.594 1
1 197 . 6 1 1 A 16 16 GLU N N 16 119.771 119.575 0.196 1
1 198 . 6 1 1 A 17 17 SER H H 17 7.808 7.981 -0.173 1
1 199 . 6 1 1 A 17 17 SER HA H 17 4.581 4.301 0.280 1
1 202 . 6 1 1 A 17 17 SER C C 17 174.239 174.588 -0.349 1
1 203 . 6 1 1 A 17 17 SER CA C 17 59.839 60.945 -1.106 1
1 204 . 6 1 1 A 17 17 SER CB C 17 64.127 63.592 0.535 1
1 205 . 6 1 1 A 17 17 SER N N 17 113.608 116.116 -2.508 1
1 206 . 6 1 1 A 18 18 ALA H H 18 7.809 7.418 0.391 1
1 207 . 6 1 1 A 18 18 ALA HA H 18 4.358 4.251 0.107 1
1 211 . 6 1 1 A 18 18 ALA C C 18 178.239 178.406 -0.167 1
1 212 . 6 1 1 A 18 18 ALA CA C 18 52.975 51.999 0.976 1
1 213 . 6 1 1 A 18 18 ALA CB C 18 19.808 19.423 0.385 1
1 214 . 6 1 1 A 18 18 ALA N N 18 123.180 121.446 1.734 1
1 215 . 6 1 1 A 19 19 GLY H H 19 8.241 9.029 -0.788 1
1 216 . 6 1 1 A 19 19 GLY HA2 H 19 4.060 3.950 0.110 1
1 217 . 6 1 1 A 19 19 GLY HA3 H 19 4.060 3.961 0.099 1
1 218 . 6 1 1 A 19 19 GLY C C 19 174.390 173.199 1.191 1
1 219 . 6 1 1 A 19 19 GLY CA C 19 45.570 46.130 -0.560 1
1 220 . 6 1 1 A 19 19 GLY N N 19 107.414 108.080 -0.666 1
1 221 . 6 1 1 A 20 20 GLU H H 20 8.501 7.871 0.630 1
1 222 . 6 1 1 A 20 20 GLU HA H 20 4.481 4.886 -0.405 1
1 227 . 6 1 1 A 20 20 GLU C C 20 176.860 174.707 2.153 1
1 228 . 6 1 1 A 20 20 GLU CA C 20 56.810 55.234 1.576 1
1 229 . 6 1 1 A 20 20 GLU CB C 20 30.060 32.399 -2.339 1
1 231 . 6 1 1 A 20 20 GLU N N 20 120.517 122.215 -1.698 1
1 232 . 6 1 1 A 21 21 THR H H 21 8.251 8.842 -0.591 1
1 233 . 6 1 1 A 21 21 THR HA H 21 4.526 4.692 -0.166 1
1 238 . 6 1 1 A 21 21 THR C C 21 174.520 174.359 0.161 1
1 239 . 6 1 1 A 21 21 THR CA C 21 61.836 61.617 0.219 1
1 240 . 6 1 1 A 21 21 THR CB C 21 70.007 71.069 -1.062 1
1 242 . 6 1 1 A 21 21 THR N N 21 113.989 122.375 -8.386 1
1 243 . 6 1 1 A 22 22 ASP H H 22 8.497 9.174 -0.677 1
1 244 . 6 1 1 A 22 22 ASP HA H 22 4.737 4.471 0.266 1
1 247 . 6 1 1 A 22 22 ASP C C 22 176.877 176.064 0.813 1
1 248 . 6 1 1 A 22 22 ASP CA C 22 54.739 54.437 0.302 1
1 249 . 6 1 1 A 22 22 ASP CB C 22 41.047 41.157 -0.110 1
1 250 . 6 1 1 A 22 22 ASP N N 22 122.136 124.978 -2.842 1
1 251 . 6 1 1 A 23 23 GLY H H 23 8.499 7.819 0.680 1
1 252 . 6 1 1 A 23 23 GLY HA2 H 23 4.087 3.969 0.118 1
1 253 . 6 1 1 A 23 23 GLY HA3 H 23 4.087 3.970 0.117 1
1 254 . 6 1 1 A 23 23 GLY C C 23 174.775 174.883 -0.108 1
1 255 . 6 1 1 A 23 23 GLY CA C 23 45.815 45.267 0.548 1
1 256 . 6 1 1 A 23 23 GLY N N 23 109.353 106.025 3.328 1
1 257 . 6 1 1 A 24 24 THR H H 24 8.151 8.385 -0.234 1
1 258 . 6 1 1 A 24 24 THR HA H 24 4.345 4.096 0.249 1
1 263 . 6 1 1 A 24 24 THR C C 24 174.220 174.389 -0.169 1
1 264 . 6 1 1 A 24 24 THR CA C 24 63.084 62.913 0.171 1
1 265 . 6 1 1 A 24 24 THR CB C 24 69.889 66.572 3.317 1
1 267 . 6 1 1 A 24 24 THR N N 24 115.906 114.866 1.040 1
1 268 . 6 1 1 A 25 25 ASP H H 25 8.617 8.338 0.279 1
1 269 . 6 1 1 A 25 25 ASP HA H 25 4.726 4.366 0.360 1
1 272 . 6 1 1 A 25 25 ASP C C 25 176.172 176.743 -0.571 1
1 273 . 6 1 1 A 25 25 ASP CA C 25 54.459 55.139 -0.680 1
1 274 . 6 1 1 A 25 25 ASP CB C 25 41.038 39.757 1.281 1
1 275 . 6 1 1 A 25 25 ASP N N 25 123.841 120.730 3.111 1
1 276 . 6 1 1 A 26 26 LEU H H 26 8.468 7.671 0.797 1
1 277 . 6 1 1 A 26 26 LEU HA H 26 4.375 3.754 0.621 1
1 287 . 6 1 1 A 26 26 LEU C C 26 176.307 176.875 -0.568 1
1 288 . 6 1 1 A 26 26 LEU CA C 26 54.128 54.836 -0.708 1
1 289 . 6 1 1 A 26 26 LEU CB C 26 41.100 41.191 -0.091 1
1 293 . 6 1 1 A 26 26 LEU N N 26 123.615 118.210 5.405 1
1 294 . 6 1 1 A 27 27 SER H H 27 8.207 7.608 0.599 1
1 295 . 6 1 1 A 27 27 SER HA H 27 4.303 4.262 0.041 1
1 298 . 6 1 1 A 27 27 SER C C 27 175.019 175.419 -0.400 1
1 299 . 6 1 1 A 27 27 SER CA C 27 59.818 60.394 -0.576 1
1 300 . 6 1 1 A 27 27 SER CB C 27 64.198 62.789 1.409 1
1 301 . 6 1 1 A 27 27 SER N N 27 115.102 114.963 0.139 1
1 302 . 6 1 1 A 28 28 GLY H H 28 8.581 8.743 -0.162 1
1 303 . 6 1 1 A 28 28 GLY HA2 H 28 4.244 3.999 0.245 1
1 304 . 6 1 1 A 28 28 GLY HA3 H 28 3.890 4.002 -0.112 1
1 305 . 6 1 1 A 28 28 GLY C C 28 174.264 173.027 1.237 1
1 306 . 6 1 1 A 28 28 GLY CA C 28 45.393 45.694 -0.301 1
1 307 . 6 1 1 A 28 28 GLY N N 28 111.287 111.732 -0.445 1
1 308 . 6 1 1 A 29 29 ASP H H 29 8.680 8.604 0.076 1
1 309 . 6 1 1 A 29 29 ASP HA H 29 4.859 5.337 -0.478 1
1 312 . 6 1 1 A 29 29 ASP C C 29 176.461 176.227 0.234 1
1 313 . 6 1 1 A 29 29 ASP CA C 29 54.284 53.126 1.158 1
1 314 . 6 1 1 A 29 29 ASP CB C 29 39.716 43.014 -3.298 1
1 315 . 6 1 1 A 29 29 ASP N N 29 123.263 124.767 -1.504 1
1 316 . 6 1 1 A 30 30 PHE H H 30 8.064 8.467 -0.403 1
1 317 . 6 1 1 A 30 30 PHE HA H 30 4.766 4.879 -0.113 1
1 325 . 6 1 1 A 30 30 PHE C C 30 175.486 176.449 -0.963 1
1 326 . 6 1 1 A 30 30 PHE CA C 30 57.460 56.858 0.602 1
1 327 . 6 1 1 A 30 30 PHE CB C 30 40.521 39.252 1.269 1
1 333 . 6 1 1 A 30 30 PHE N N 30 122.340 122.433 -0.093 1
1 334 . 6 1 1 A 31 31 LEU H H 31 7.535 7.552 -0.017 1
1 335 . 6 1 1 A 31 31 LEU HA H 31 3.309 3.713 -0.404 1
1 345 . 6 1 1 A 31 31 LEU C C 31 176.442 177.925 -1.483 1
1 346 . 6 1 1 A 31 31 LEU CA C 31 57.841 56.939 0.902 1
1 347 . 6 1 1 A 31 31 LEU CB C 31 42.121 41.468 0.653 1
1 351 . 6 1 1 A 31 31 LEU N N 31 118.974 122.131 -3.157 1
1 352 . 6 1 1 A 32 32 ASP H H 32 8.081 7.536 0.545 1
1 353 . 6 1 1 A 32 32 ASP HA H 32 5.057 4.576 0.481 1
1 356 . 6 1 1 A 32 32 ASP C C 32 176.035 176.234 -0.199 1
1 357 . 6 1 1 A 32 32 ASP CA C 32 53.745 55.004 -1.259 1
1 358 . 6 1 1 A 32 32 ASP CB C 32 41.757 41.678 0.079 1
1 359 . 6 1 1 A 32 32 ASP N N 32 111.858 117.047 -5.189 1
1 360 . 6 1 1 A 33 33 LEU H H 33 7.223 7.497 -0.274 1
1 361 . 6 1 1 A 33 33 LEU HA H 33 4.315 4.229 0.086 1
1 371 . 6 1 1 A 33 33 LEU C C 33 174.834 176.133 -1.299 1
1 372 . 6 1 1 A 33 33 LEU CA C 33 54.484 54.852 -0.368 1
1 373 . 6 1 1 A 33 33 LEU CB C 33 42.469 41.897 0.572 1
1 377 . 6 1 1 A 33 33 LEU N N 33 122.072 121.869 0.203 1
1 378 . 6 1 1 A 34 34 ARG H H 34 8.486 8.842 -0.356 1
1 379 . 6 1 1 A 34 34 ARG HA H 34 4.746 4.227 0.519 1
1 387 . 6 1 1 A 34 34 ARG C C 34 179.695 177.764 1.931 1
1 388 . 6 1 1 A 34 34 ARG CA C 34 55.460 56.010 -0.550 1
1 389 . 6 1 1 A 34 34 ARG CB C 34 29.981 30.551 -0.570 1
1 393 . 6 1 1 A 34 34 ARG N N 34 116.268 124.394 -8.126 1
1 395 . 6 1 1 A 35 35 PHE H H 35 8.453 8.230 0.223 1
1 396 . 6 1 1 A 35 35 PHE HA H 35 4.398 4.130 0.268 1
1 404 . 6 1 1 A 35 35 PHE C C 35 178.728 178.013 0.715 1
1 405 . 6 1 1 A 35 35 PHE CA C 35 62.994 61.005 1.989 1
1 406 . 6 1 1 A 35 35 PHE CB C 35 37.964 38.488 -0.524 1
1 412 . 6 1 1 A 35 35 PHE N N 35 123.273 122.432 0.841 1
1 413 . 6 1 1 A 36 36 GLU H H 36 9.540 8.492 1.048 1
1 414 . 6 1 1 A 36 36 GLU HA H 36 4.357 4.046 0.311 1
1 419 . 6 1 1 A 36 36 GLU C C 36 178.636 178.361 0.275 1
1 420 . 6 1 1 A 36 36 GLU CA C 36 59.160 60.111 -0.951 1
1 421 . 6 1 1 A 36 36 GLU CB C 36 29.610 29.234 0.376 1
1 423 . 6 1 1 A 36 36 GLU N N 36 117.074 119.718 -2.644 1
1 424 . 6 1 1 A 37 37 ASP H H 37 7.532 7.715 -0.183 1
1 425 . 6 1 1 A 37 37 ASP HA H 37 4.811 4.426 0.385 1
1 428 . 6 1 1 A 37 37 ASP C C 37 177.974 177.366 0.608 1
1 429 . 6 1 1 A 37 37 ASP CA C 37 56.496 56.230 0.266 1
1 430 . 6 1 1 A 37 37 ASP CB C 37 41.271 40.835 0.436 1
1 431 . 6 1 1 A 37 37 ASP N N 37 118.229 119.576 -1.347 1
1 432 . 6 1 1 A 38 38 ILE H H 38 7.728 7.461 0.267 1
1 433 . 6 1 1 A 38 38 ILE HA H 38 4.676 4.231 0.445 1
1 443 . 6 1 1 A 38 38 ILE C C 38 176.102 176.441 -0.339 1
1 444 . 6 1 1 A 38 38 ILE CA C 38 61.973 60.561 1.412 1
1 445 . 6 1 1 A 38 38 ILE CB C 38 38.682 37.409 1.273 1
1 449 . 6 1 1 A 38 38 ILE N N 38 112.806 113.068 -0.262 1
1 450 . 6 1 1 A 39 39 GLY H H 39 7.735 7.804 -0.069 1
1 451 . 6 1 1 A 39 39 GLY HA2 H 39 4.271 3.994 0.277 1
1 452 . 6 1 1 A 39 39 GLY HA3 H 39 3.898 4.006 -0.108 1
1 453 . 6 1 1 A 39 39 GLY C C 39 174.444 174.873 -0.429 1
1 454 . 6 1 1 A 39 39 GLY CA C 39 46.438 45.783 0.655 1
1 455 . 6 1 1 A 39 39 GLY N N 39 107.120 110.514 -3.394 1
1 456 . 6 1 1 A 40 40 TYR H H 40 8.081 8.235 -0.154 1
1 457 . 6 1 1 A 40 40 TYR HA H 40 4.586 4.487 0.099 1
1 464 . 6 1 1 A 40 40 TYR C C 40 174.461 176.053 -1.592 1
1 465 . 6 1 1 A 40 40 TYR CA C 40 58.185 58.817 -0.632 1
1 466 . 6 1 1 A 40 40 TYR CB C 40 40.424 38.890 1.534 1
1 471 . 6 1 1 A 40 40 TYR N N 40 121.688 119.732 1.956 1
1 472 . 6 1 1 A 41 41 ASP H H 41 8.040 8.898 -0.858 1
1 473 . 6 1 1 A 41 41 ASP HA H 41 4.727 4.796 -0.069 1
1 476 . 6 1 1 A 41 41 ASP C C 41 175.980 177.440 -1.460 1
1 477 . 6 1 1 A 41 41 ASP CA C 41 52.812 54.260 -1.448 1
1 478 . 6 1 1 A 41 41 ASP CB C 41 42.068 41.408 0.660 1
1 479 . 6 1 1 A 41 41 ASP N N 41 124.041 124.317 -0.276 1
1 480 . 6 1 1 A 42 42 SER H H 42 8.561 9.138 -0.577 1
1 481 . 6 1 1 A 42 42 SER HA H 42 4.198 4.089 0.109 1
1 484 . 6 1 1 A 42 42 SER C C 42 176.472 176.828 -0.356 1
1 485 . 6 1 1 A 42 42 SER CA C 42 62.309 62.277 0.032 1
1 486 . 6 1 1 A 42 42 SER CB C 42 62.943 62.469 0.474 1
1 487 . 6 1 1 A 42 42 SER N N 42 114.493 118.835 -4.342 1
1 488 . 6 1 1 A 43 43 LEU H H 43 7.804 8.113 -0.309 1
1 489 . 6 1 1 A 43 43 LEU HA H 43 4.270 4.064 0.206 1
1 499 . 6 1 1 A 43 43 LEU C C 43 179.551 178.441 1.110 1
1 500 . 6 1 1 A 43 43 LEU CA C 43 58.369 57.829 0.540 1
1 501 . 6 1 1 A 43 43 LEU CB C 43 41.057 41.465 -0.408 1
1 505 . 6 1 1 A 43 43 LEU N N 43 122.459 124.630 -2.171 1
1 506 . 6 1 1 A 44 44 ALA H H 44 8.064 7.707 0.357 1
1 507 . 6 1 1 A 44 44 ALA HA H 44 4.334 3.984 0.350 1
1 511 . 6 1 1 A 44 44 ALA C C 44 181.733 180.146 1.587 1
1 512 . 6 1 1 A 44 44 ALA CA C 44 54.987 55.188 -0.201 1
1 513 . 6 1 1 A 44 44 ALA CB C 44 18.500 18.247 0.253 1
1 514 . 6 1 1 A 44 44 ALA N N 44 123.223 120.829 2.394 1
1 515 . 6 1 1 A 45 45 LEU H H 45 8.422 8.141 0.281 1
1 516 . 6 1 1 A 45 45 LEU HA H 45 3.907 4.037 -0.130 1
1 526 . 6 1 1 A 45 45 LEU C C 45 178.613 178.759 -0.146 1
1 527 . 6 1 1 A 45 45 LEU CA C 45 58.419 57.868 0.551 1
1 528 . 6 1 1 A 45 45 LEU CB C 45 41.643 41.491 0.152 1
1 532 . 6 1 1 A 45 45 LEU N N 45 121.714 120.183 1.531 1
1 533 . 6 1 1 A 46 46 MET H H 46 8.344 8.717 -0.373 1
1 534 . 6 1 1 A 46 46 MET HA H 46 4.259 4.025 0.234 1
1 539 . 6 1 1 A 46 46 MET C C 46 179.856 178.489 1.367 1
1 540 . 6 1 1 A 46 46 MET CA C 46 58.769 58.966 -0.197 1
1 541 . 6 1 1 A 46 46 MET CB C 46 32.022 32.911 -0.889 1
1 543 . 6 1 1 A 46 46 MET N N 46 119.039 117.202 1.837 1
1 544 . 6 1 1 A 47 47 GLU H H 47 8.414 8.441 -0.027 1
1 545 . 6 1 1 A 47 47 GLU HA H 47 4.257 4.012 0.245 1
1 550 . 6 1 1 A 47 47 GLU C C 47 179.208 179.292 -0.084 1
1 551 . 6 1 1 A 47 47 GLU CA C 47 59.504 59.400 0.104 1
1 552 . 6 1 1 A 47 47 GLU CB C 47 29.229 29.143 0.086 1
1 554 . 6 1 1 A 47 47 GLU N N 47 121.231 120.310 0.921 1
1 555 . 6 1 1 A 48 48 THR H H 48 8.329 7.722 0.607 1
1 556 . 6 1 1 A 48 48 THR HA H 48 3.962 4.481 -0.519 1
1 561 . 6 1 1 A 48 48 THR C C 48 176.334 176.131 0.203 1
1 562 . 6 1 1 A 48 48 THR CA C 48 67.882 66.633 1.249 1
1 563 . 6 1 1 A 48 48 THR CB C 48 68.478 68.731 -0.253 1
1 565 . 6 1 1 A 48 48 THR N N 48 118.600 116.973 1.627 1
1 566 . 6 1 1 A 49 49 ALA H H 49 8.756 8.455 0.301 1
1 567 . 6 1 1 A 49 49 ALA HA H 49 3.963 3.962 0.001 1
1 571 . 6 1 1 A 49 49 ALA C C 49 178.615 179.454 -0.839 1
1 572 . 6 1 1 A 49 49 ALA CA C 49 56.227 55.599 0.628 1
1 573 . 6 1 1 A 49 49 ALA CB C 49 17.499 17.879 -0.380 1
1 574 . 6 1 1 A 49 49 ALA N N 49 123.599 122.813 0.786 1
1 575 . 6 1 1 A 50 50 ALA H H 50 8.191 8.620 -0.429 1
1 576 . 6 1 1 A 50 50 ALA HA H 50 4.281 4.364 -0.083 1
1 580 . 6 1 1 A 50 50 ALA C C 50 181.272 180.374 0.898 1
1 581 . 6 1 1 A 50 50 ALA CA C 50 55.488 55.212 0.276 1
1 582 . 6 1 1 A 50 50 ALA CB C 50 18.107 18.378 -0.271 1
1 583 . 6 1 1 A 50 50 ALA N N 50 119.558 119.989 -0.431 1
1 584 . 6 1 1 A 51 51 ARG H H 51 8.146 8.200 -0.054 1
1 585 . 6 1 1 A 51 51 ARG HA H 51 4.257 4.253 0.004 1
1 593 . 6 1 1 A 51 51 ARG C C 51 179.815 178.649 1.166 1
1 594 . 6 1 1 A 51 51 ARG CA C 51 59.591 59.065 0.526 1
1 595 . 6 1 1 A 51 51 ARG CB C 51 30.400 29.969 0.431 1
1 599 . 6 1 1 A 51 51 ARG N N 51 119.722 118.987 0.735 1
1 601 . 6 1 1 A 52 52 LEU H H 52 8.432 8.437 -0.005 1
1 602 . 6 1 1 A 52 52 LEU HA H 52 4.330 4.120 0.210 1
1 612 . 6 1 1 A 52 52 LEU C C 52 179.152 179.392 -0.240 1
1 613 . 6 1 1 A 52 52 LEU CA C 52 58.139 58.199 -0.060 1
1 614 . 6 1 1 A 52 52 LEU CB C 52 42.615 41.470 1.145 1
1 618 . 6 1 1 A 52 52 LEU N N 52 120.470 119.792 0.678 1
1 619 . 6 1 1 A 53 53 GLU H H 53 8.989 8.792 0.197 1
1 620 . 6 1 1 A 53 53 GLU HA H 53 4.105 4.008 0.097 1
1 625 . 6 1 1 A 53 53 GLU C C 53 179.370 178.703 0.667 1
1 626 . 6 1 1 A 53 53 GLU CA C 53 60.145 59.699 0.446 1
1 627 . 6 1 1 A 53 53 GLU CB C 53 29.184 29.454 -0.270 1
1 629 . 6 1 1 A 53 53 GLU N N 53 119.668 119.589 0.079 1
1 630 . 6 1 1 A 54 54 SER H H 54 8.028 8.589 -0.561 1
1 631 . 6 1 1 A 54 54 SER HA H 54 4.392 4.127 0.265 1
1 634 . 6 1 1 A 54 54 SER C C 54 176.891 176.849 0.042 1
1 635 . 6 1 1 A 54 54 SER CA C 54 61.162 61.368 -0.206 1
1 636 . 6 1 1 A 54 54 SER CB C 54 63.222 62.295 0.927 1
1 637 . 6 1 1 A 54 54 SER N N 54 112.842 114.583 -1.741 1
1 638 . 6 1 1 A 55 55 ARG H H 55 8.070 8.149 -0.079 1
1 639 . 6 1 1 A 55 55 ARG HA H 55 4.111 3.876 0.235 1
1 647 . 6 1 1 A 55 55 ARG C C 55 177.830 177.475 0.355 1
1 648 . 6 1 1 A 55 55 ARG CA C 55 58.824 58.761 0.063 1
1 649 . 6 1 1 A 55 55 ARG CB C 55 30.829 30.075 0.754 1
1 653 . 6 1 1 A 55 55 ARG N N 55 120.550 122.638 -2.088 1
1 655 . 6 1 1 A 56 56 TYR H H 56 8.171 7.892 0.279 1
1 656 . 6 1 1 A 56 56 TYR HA H 56 4.685 4.650 0.035 1
1 663 . 6 1 1 A 56 56 TYR C C 56 176.027 175.785 0.242 1
1 664 . 6 1 1 A 56 56 TYR CA C 56 59.110 57.995 1.115 1
1 665 . 6 1 1 A 56 56 TYR CB C 56 39.339 38.925 0.414 1
1 670 . 6 1 1 A 56 56 TYR N N 56 113.561 114.706 -1.145 1
1 671 . 6 1 1 A 57 57 GLY H H 57 7.998 8.351 -0.353 1
1 672 . 6 1 1 A 57 57 GLY HA2 H 57 4.105 4.006 0.099 1
1 673 . 6 1 1 A 57 57 GLY HA3 H 57 4.105 4.016 0.089 1
1 674 . 6 1 1 A 57 57 GLY C C 57 174.600 174.529 0.071 1
1 675 . 6 1 1 A 57 57 GLY CA C 57 47.349 46.415 0.934 1
1 676 . 6 1 1 A 57 57 GLY N N 57 109.470 109.782 -0.312 1
1 677 . 6 1 1 A 58 58 VAL H H 58 7.515 7.387 0.128 1
1 678 . 6 1 1 A 58 58 VAL HA H 58 4.694 4.422 0.272 1
1 686 . 6 1 1 A 58 58 VAL C C 58 174.016 174.937 -0.921 1
1 687 . 6 1 1 A 58 58 VAL CA C 58 59.282 60.914 -1.632 1
1 688 . 6 1 1 A 58 58 VAL CB C 58 34.791 33.267 1.524 1
1 691 . 6 1 1 A 58 58 VAL N N 58 112.406 121.306 -8.900 1
1 692 . 6 1 1 A 59 59 SER H H 59 8.489 8.830 -0.341 1
1 693 . 6 1 1 A 59 59 SER HA H 59 4.847 5.036 -0.189 1
1 696 . 6 1 1 A 59 59 SER C C 59 173.643 173.916 -0.273 1
1 697 . 6 1 1 A 59 59 SER CA C 59 57.213 57.925 -0.712 1
1 698 . 6 1 1 A 59 59 SER CB C 59 64.285 63.606 0.679 1
1 699 . 6 1 1 A 59 59 SER N N 59 116.724 124.531 -7.807 1
1 700 . 6 1 1 A 60 60 ILE H H 60 8.224 9.129 -0.905 1
1 701 . 6 1 1 A 60 60 ILE HA H 60 4.676 4.602 0.074 1
1 711 . 6 1 1 A 60 60 ILE CA C 60 57.702 57.842 -0.140 1
1 712 . 6 1 1 A 60 60 ILE CB C 60 40.520 38.588 1.932 1
1 716 . 6 1 1 A 60 60 ILE N N 60 125.582 127.146 -1.564 1
1 717 . 6 1 1 A 61 61 PRO HA H 61 4.543 4.752 -0.209 1
1 724 . 6 1 1 A 61 61 PRO C C 61 177.547 177.676 -0.129 1
1 725 . 6 1 1 A 61 61 PRO CA C 61 63.523 62.872 0.651 1
1 726 . 6 1 1 A 61 61 PRO CB C 61 32.704 31.846 0.858 1
1 729 . 6 1 1 A 62 62 ASP H H 62 8.857 8.672 0.185 1
1 730 . 6 1 1 A 62 62 ASP HA H 62 4.447 4.300 0.147 1
1 733 . 6 1 1 A 62 62 ASP C C 62 177.504 177.994 -0.490 1
1 734 . 6 1 1 A 62 62 ASP CA C 62 57.105 57.660 -0.555 1
1 735 . 6 1 1 A 62 62 ASP CB C 62 40.668 40.730 -0.062 1
1 736 . 6 1 1 A 62 62 ASP N N 62 123.624 123.013 0.611 1
1 737 . 6 1 1 A 63 63 ASP H H 63 8.691 7.972 0.719 1
1 738 . 6 1 1 A 63 63 ASP HA H 63 4.508 4.420 0.088 1
1 741 . 6 1 1 A 63 63 ASP C C 63 177.468 178.792 -1.324 1
1 742 . 6 1 1 A 63 63 ASP CA C 63 55.267 57.313 -2.046 1
1 743 . 6 1 1 A 63 63 ASP CB C 63 39.691 41.194 -1.503 1
1 744 . 6 1 1 A 63 63 ASP N N 63 116.744 119.895 -3.151 1
1 745 . 6 1 1 A 64 64 VAL H H 64 7.388 7.764 -0.376 1
1 746 . 6 1 1 A 64 64 VAL HA H 64 3.789 3.589 0.200 1
1 754 . 6 1 1 A 64 64 VAL C C 64 177.793 178.472 -0.679 1
1 755 . 6 1 1 A 64 64 VAL CA C 64 65.251 66.397 -1.146 1
1 756 . 6 1 1 A 64 64 VAL CB C 64 32.347 31.392 0.955 1
1 759 . 6 1 1 A 64 64 VAL N N 64 119.303 120.264 -0.961 1
1 760 . 6 1 1 A 65 65 ALA H H 65 8.212 7.927 0.285 1
1 761 . 6 1 1 A 65 65 ALA HA H 65 3.967 4.091 -0.124 1
1 765 . 6 1 1 A 65 65 ALA C C 65 178.005 178.739 -0.734 1
1 766 . 6 1 1 A 65 65 ALA CA C 65 55.196 54.973 0.223 1
1 767 . 6 1 1 A 65 65 ALA CB C 65 18.373 18.326 0.047 1
1 768 . 6 1 1 A 65 65 ALA N N 65 122.060 121.265 0.795 1
1 769 . 6 1 1 A 66 66 GLY H H 66 7.995 7.781 0.214 1
1 770 . 6 1 1 A 66 66 GLY HA2 H 66 4.133 4.012 0.121 1
1 771 . 6 1 1 A 66 66 GLY HA3 H 66 3.912 4.019 -0.107 1
1 772 . 6 1 1 A 66 66 GLY C C 66 174.615 174.717 -0.102 1
1 773 . 6 1 1 A 66 66 GLY CA C 66 45.925 45.356 0.569 1
1 774 . 6 1 1 A 66 66 GLY N N 66 99.445 105.415 -5.970 1
1 775 . 6 1 1 A 67 67 ARG H H 67 7.478 7.953 -0.475 1
1 776 . 6 1 1 A 67 67 ARG HA H 67 4.659 4.461 0.198 1
1 784 . 6 1 1 A 67 67 ARG C C 67 176.470 176.270 0.200 1
1 785 . 6 1 1 A 67 67 ARG CA C 67 55.647 56.294 -0.647 1
1 786 . 6 1 1 A 67 67 ARG CB C 67 31.843 30.945 0.898 1
1 790 . 6 1 1 A 67 67 ARG N N 67 116.761 118.785 -2.024 1
1 792 . 6 1 1 A 68 68 VAL H H 68 7.244 7.213 0.031 1
1 793 . 6 1 1 A 68 68 VAL HA H 68 4.437 4.192 0.245 1
1 801 . 6 1 1 A 68 68 VAL C C 68 175.250 175.795 -0.545 1
1 802 . 6 1 1 A 68 68 VAL CA C 68 61.919 61.643 0.276 1
1 803 . 6 1 1 A 68 68 VAL CB C 68 33.329 31.210 2.119 1
1 806 . 6 1 1 A 68 68 VAL N N 68 114.725 118.028 -3.303 1
1 807 . 6 1 1 A 69 69 ASP H H 69 9.180 8.817 0.363 1
1 808 . 6 1 1 A 69 69 ASP HA H 69 5.272 4.833 0.439 1
1 811 . 6 1 1 A 69 69 ASP C C 69 177.035 176.021 1.014 1
1 812 . 6 1 1 A 69 69 ASP CA C 69 55.862 55.686 0.176 1
1 813 . 6 1 1 A 69 69 ASP CB C 69 44.421 42.351 2.070 1
1 814 . 6 1 1 A 69 69 ASP N N 69 120.929 126.110 -5.181 1
1 815 . 6 1 1 A 70 70 THR H H 70 7.490 7.690 -0.200 1
1 816 . 6 1 1 A 70 70 THR HA H 70 4.969 4.446 0.523 1
1 821 . 6 1 1 A 70 70 THR CA C 70 57.776 58.400 -0.624 1
1 822 . 6 1 1 A 70 70 THR CB C 70 71.416 70.037 1.379 1
1 824 . 6 1 1 A 70 70 THR N N 70 107.879 108.674 -0.795 1
1 825 . 6 1 1 A 71 71 PRO HA H 71 4.247 4.403 -0.156 1
1 832 . 6 1 1 A 71 71 PRO C C 71 177.413 178.244 -0.831 1
1 833 . 6 1 1 A 71 71 PRO CA C 71 65.812 65.580 0.232 1
1 834 . 6 1 1 A 71 71 PRO CB C 71 32.647 31.470 1.177 1
1 837 . 6 1 1 A 72 72 ARG H H 72 9.000 8.790 0.210 1
1 838 . 6 1 1 A 72 72 ARG HA H 72 3.619 4.004 -0.385 1
1 850 . 6 1 1 A 72 72 ARG C C 72 177.530 178.708 -1.178 1
1 851 . 6 1 1 A 72 72 ARG CA C 72 60.211 59.007 1.204 1
1 852 . 6 1 1 A 72 72 ARG CB C 72 30.433 29.861 0.572 1
1 856 . 6 1 1 A 72 72 ARG N N 72 117.747 116.844 0.903 1
1 860 . 6 1 1 A 73 73 GLU H H 73 7.840 7.874 -0.034 1
1 861 . 6 1 1 A 73 73 GLU HA H 73 4.245 4.069 0.176 1
1 866 . 6 1 1 A 73 73 GLU C C 73 180.139 179.257 0.882 1
1 867 . 6 1 1 A 73 73 GLU CA C 73 59.071 58.776 0.295 1
1 868 . 6 1 1 A 73 73 GLU CB C 73 30.230 29.422 0.808 1
1 870 . 6 1 1 A 73 73 GLU N N 73 116.639 119.228 -2.589 1
1 871 . 6 1 1 A 74 74 LEU H H 74 7.693 7.621 0.072 1
1 872 . 6 1 1 A 74 74 LEU HA H 74 4.324 4.096 0.228 1
1 882 . 6 1 1 A 74 74 LEU C C 74 177.000 178.147 -1.147 1
1 883 . 6 1 1 A 74 74 LEU CA C 74 58.123 58.081 0.042 1
1 884 . 6 1 1 A 74 74 LEU CB C 74 42.242 41.500 0.742 1
1 888 . 6 1 1 A 74 74 LEU N N 74 120.218 121.799 -1.581 1
1 889 . 6 1 1 A 75 75 LEU H H 75 8.731 8.274 0.457 1
1 890 . 6 1 1 A 75 75 LEU HA H 75 3.904 3.939 -0.035 1
1 900 . 6 1 1 A 75 75 LEU C C 75 178.122 177.961 0.161 1
1 901 . 6 1 1 A 75 75 LEU CA C 75 58.462 58.540 -0.078 1
1 902 . 6 1 1 A 75 75 LEU CB C 75 42.400 41.771 0.629 1
1 906 . 6 1 1 A 75 75 LEU N N 75 121.211 119.772 1.439 1
1 907 . 6 1 1 A 76 76 ASP H H 76 8.703 8.325 0.378 1
1 908 . 6 1 1 A 76 76 ASP HA H 76 4.497 4.261 0.236 1
1 911 . 6 1 1 A 76 76 ASP C C 76 180.101 178.324 1.777 1
1 912 . 6 1 1 A 76 76 ASP CA C 76 57.325 57.687 -0.362 1
1 913 . 6 1 1 A 76 76 ASP CB C 76 39.936 42.026 -2.090 1
1 914 . 6 1 1 A 76 76 ASP N N 76 117.466 118.865 -1.399 1
1 915 . 6 1 1 A 77 77 LEU H H 77 8.019 7.895 0.124 1
1 916 . 6 1 1 A 77 77 LEU HA H 77 4.282 4.059 0.223 1
1 926 . 6 1 1 A 77 77 LEU C C 77 179.840 178.667 1.173 1
1 927 . 6 1 1 A 77 77 LEU CA C 77 58.417 58.415 0.002 1
1 928 . 6 1 1 A 77 77 LEU CB C 77 42.856 41.684 1.172 1
1 932 . 6 1 1 A 77 77 LEU N N 77 122.891 120.145 2.746 1
1 933 . 6 1 1 A 78 78 ILE H H 78 8.281 7.994 0.287 1
1 934 . 6 1 1 A 78 78 ILE HA H 78 3.756 3.792 -0.036 1
1 944 . 6 1 1 A 78 78 ILE C C 78 177.655 178.093 -0.438 1
1 945 . 6 1 1 A 78 78 ILE CA C 78 64.638 64.440 0.198 1
1 946 . 6 1 1 A 78 78 ILE CB C 78 37.325 36.486 0.839 1
1 950 . 6 1 1 A 78 78 ILE N N 78 119.758 119.282 0.476 1
1 951 . 6 1 1 A 79 79 ASN H H 79 8.880 8.971 -0.091 1
1 952 . 6 1 1 A 79 79 ASN HA H 79 4.918 4.365 0.553 1
1 957 . 6 1 1 A 79 79 ASN C C 79 179.481 179.005 0.476 1
1 958 . 6 1 1 A 79 79 ASN CA C 79 55.446 56.274 -0.828 1
1 959 . 6 1 1 A 79 79 ASN CB C 79 37.299 37.787 -0.488 1
1 960 . 6 1 1 A 79 79 ASN N N 79 117.848 118.875 -1.027 1
1 962 . 6 1 1 A 80 80 GLY H H 80 8.441 8.843 -0.402 1
1 963 . 6 1 1 A 80 80 GLY HA2 H 80 4.036 3.804 0.232 1
1 964 . 6 1 1 A 80 80 GLY HA3 H 80 4.036 3.807 0.229 1
1 965 . 6 1 1 A 80 80 GLY C C 80 175.746 176.232 -0.486 1
1 966 . 6 1 1 A 80 80 GLY CA C 80 47.065 47.094 -0.029 1
1 967 . 6 1 1 A 80 80 GLY N N 80 110.120 109.357 0.763 1
1 968 . 6 1 1 A 81 81 ALA H H 81 7.604 7.568 0.036 1
1 969 . 6 1 1 A 81 81 ALA HA H 81 4.467 3.977 0.490 1
1 973 . 6 1 1 A 81 81 ALA C C 81 180.565 180.301 0.264 1
1 974 . 6 1 1 A 81 81 ALA CA C 81 54.298 54.630 -0.332 1
1 975 . 6 1 1 A 81 81 ALA CB C 81 18.530 18.431 0.099 1
1 976 . 6 1 1 A 81 81 ALA N N 81 124.070 125.205 -1.135 1
1 977 . 6 1 1 A 82 82 LEU H H 82 8.299 8.536 -0.237 1
1 978 . 6 1 1 A 82 82 LEU HA H 82 4.219 4.010 0.209 1
1 988 . 6 1 1 A 82 82 LEU C C 82 178.837 179.564 -0.727 1
1 989 . 6 1 1 A 82 82 LEU CA C 82 56.967 57.822 -0.855 1
1 990 . 6 1 1 A 82 82 LEU CB C 82 42.610 40.877 1.733 1
1 994 . 6 1 1 A 82 82 LEU N N 82 119.823 119.711 0.112 1
1 995 . 6 1 1 A 83 83 ALA H H 83 7.964 8.289 -0.325 1
1 996 . 6 1 1 A 83 83 ALA HA H 83 4.298 4.039 0.259 1
1 1000 . 6 1 1 A 83 83 ALA C C 83 178.739 178.924 -0.185 1
1 1001 . 6 1 1 A 83 83 ALA CA C 83 53.965 54.750 -0.785 1
1 1002 . 6 1 1 A 83 83 ALA CB C 83 18.917 18.186 0.731 1
1 1003 . 6 1 1 A 83 83 ALA N N 83 121.306 122.226 -0.920 1
1 1004 . 6 1 1 A 84 84 GLU H H 84 7.746 7.981 -0.235 1
1 1005 . 6 1 1 A 84 84 GLU HA H 84 4.396 4.383 0.013 1
1 1010 . 6 1 1 A 84 84 GLU C C 84 176.347 176.267 0.080 1
1 1011 . 6 1 1 A 84 84 GLU CA C 84 56.739 56.924 -0.185 1
1 1012 . 6 1 1 A 84 84 GLU CB C 84 30.126 29.860 0.266 1
1 1014 . 6 1 1 A 84 84 GLU N N 84 117.080 114.941 2.139 1
1 1015 . 6 1 1 A 85 85 ALA H H 85 7.832 7.634 0.198 1
1 1016 . 6 1 1 A 85 85 ALA HA H 85 4.485 4.753 -0.268 1
1 1020 . 6 1 1 A 85 85 ALA C C 85 176.564 176.001 0.563 1
1 1021 . 6 1 1 A 85 85 ALA CA C 85 52.485 50.295 2.190 1
1 1022 . 6 1 1 A 85 85 ALA CB C 85 19.529 22.017 -2.488 1
1 1023 . 6 1 1 A 85 85 ALA N N 85 124.010 121.536 2.474 1
1 1 . 7 1 1 A 2 2 ALA HA H 2 4.297 5.215 -0.918 1
1 5 . 7 1 1 A 2 2 ALA C C 2 173.708 176.198 -2.490 1
1 6 . 7 1 1 A 2 2 ALA CA C 2 51.945 50.916 1.029 1
1 7 . 7 1 1 A 2 2 ALA CB C 2 19.979 23.186 -3.207 1
1 8 . 7 1 1 A 3 3 THR H H 3 8.680 8.714 -0.034 1
1 9 . 7 1 1 A 3 3 THR HA H 3 4.411 4.342 0.069 1
1 14 . 7 1 1 A 3 3 THR C C 3 172.914 174.186 -1.272 1
1 15 . 7 1 1 A 3 3 THR CA C 3 62.665 62.465 0.200 1
1 16 . 7 1 1 A 3 3 THR CB C 3 69.902 68.470 1.432 1
1 18 . 7 1 1 A 3 3 THR N N 3 117.458 115.743 1.715 1
1 19 . 7 1 1 A 4 4 LEU H H 4 8.145 8.490 -0.345 1
1 20 . 7 1 1 A 4 4 LEU HA H 4 4.384 4.215 0.169 1
1 30 . 7 1 1 A 4 4 LEU C C 4 177.176 174.750 2.426 1
1 31 . 7 1 1 A 4 4 LEU CA C 4 54.765 57.249 -2.484 1
1 32 . 7 1 1 A 4 4 LEU CB C 4 42.790 41.254 1.536 1
1 36 . 7 1 1 A 4 4 LEU N N 4 124.380 122.854 1.526 1
1 37 . 7 1 1 A 5 5 LEU H H 5 9.419 8.667 0.752 1
1 38 . 7 1 1 A 5 5 LEU HA H 5 4.536 5.007 -0.471 1
1 48 . 7 1 1 A 5 5 LEU C C 5 177.849 176.203 1.646 1
1 49 . 7 1 1 A 5 5 LEU CA C 5 55.488 53.522 1.966 1
1 50 . 7 1 1 A 5 5 LEU CB C 5 42.700 44.778 -2.078 1
1 54 . 7 1 1 A 5 5 LEU N N 5 124.415 123.383 1.032 1
1 55 . 7 1 1 A 6 6 THR H H 6 8.995 8.584 0.411 1
1 56 . 7 1 1 A 6 6 THR HA H 6 4.783 4.797 -0.014 1
1 61 . 7 1 1 A 6 6 THR C C 6 175.943 176.565 -0.622 1
1 62 . 7 1 1 A 6 6 THR CA C 6 59.961 60.001 -0.040 1
1 63 . 7 1 1 A 6 6 THR CB C 6 72.429 72.039 0.390 1
1 65 . 7 1 1 A 6 6 THR N N 6 114.757 113.523 1.234 1
1 66 . 7 1 1 A 7 7 THR H H 7 8.851 8.944 -0.093 1
1 67 . 7 1 1 A 7 7 THR HA H 7 3.881 3.908 -0.027 1
1 72 . 7 1 1 A 7 7 THR C C 7 176.566 176.046 0.520 1
1 73 . 7 1 1 A 7 7 THR CA C 7 67.277 66.201 1.076 1
1 74 . 7 1 1 A 7 7 THR CB C 7 68.542 68.610 -0.068 1
1 76 . 7 1 1 A 7 7 THR N N 7 115.540 117.234 -1.694 1
1 77 . 7 1 1 A 8 8 ASP H H 8 8.279 8.250 0.029 1
1 78 . 7 1 1 A 8 8 ASP HA H 8 4.638 4.434 0.204 1
1 81 . 7 1 1 A 8 8 ASP C C 8 178.553 178.150 0.403 1
1 82 . 7 1 1 A 8 8 ASP CA C 8 57.738 57.234 0.504 1
1 83 . 7 1 1 A 8 8 ASP CB C 8 41.219 40.442 0.777 1
1 84 . 7 1 1 A 8 8 ASP N N 8 119.967 120.818 -0.851 1
1 85 . 7 1 1 A 9 9 ASP H H 9 7.905 8.127 -0.222 1
1 86 . 7 1 1 A 9 9 ASP HA H 9 4.573 4.417 0.156 1
1 89 . 7 1 1 A 9 9 ASP C C 9 179.411 178.287 1.124 1
1 90 . 7 1 1 A 9 9 ASP CA C 9 57.667 57.319 0.348 1
1 91 . 7 1 1 A 9 9 ASP CB C 9 41.453 41.037 0.416 1
1 92 . 7 1 1 A 9 9 ASP N N 9 120.222 119.364 0.858 1
1 93 . 7 1 1 A 10 10 LEU H H 10 8.097 8.064 0.033 1
1 94 . 7 1 1 A 10 10 LEU HA H 10 4.225 4.138 0.087 1
1 104 . 7 1 1 A 10 10 LEU C C 10 177.475 178.643 -1.168 1
1 105 . 7 1 1 A 10 10 LEU CA C 10 57.959 57.977 -0.018 1
1 106 . 7 1 1 A 10 10 LEU CB C 10 42.013 41.738 0.275 1
1 110 . 7 1 1 A 10 10 LEU N N 10 121.315 120.670 0.645 1
1 111 . 7 1 1 A 11 11 ARG H H 11 8.841 8.482 0.359 1
1 112 . 7 1 1 A 11 11 ARG HA H 11 3.524 4.125 -0.601 1
1 120 . 7 1 1 A 11 11 ARG C C 11 177.728 178.605 -0.877 1
1 121 . 7 1 1 A 11 11 ARG CA C 11 60.662 59.740 0.922 1
1 122 . 7 1 1 A 11 11 ARG CB C 11 30.618 30.008 0.610 1
1 126 . 7 1 1 A 11 11 ARG N N 11 119.774 119.500 0.274 1
1 128 . 7 1 1 A 12 12 ARG H H 12 7.988 7.708 0.280 1
1 129 . 7 1 1 A 12 12 ARG HA H 12 4.041 4.055 -0.014 1
1 137 . 7 1 1 A 12 12 ARG C C 12 178.452 178.252 0.200 1
1 138 . 7 1 1 A 12 12 ARG CA C 12 59.748 59.548 0.200 1
1 139 . 7 1 1 A 12 12 ARG CB C 12 30.414 30.211 0.203 1
1 143 . 7 1 1 A 12 12 ARG N N 12 115.529 119.713 -4.184 1
1 145 . 7 1 1 A 13 13 ALA H H 13 7.722 7.833 -0.111 1
1 146 . 7 1 1 A 13 13 ALA HA H 13 4.412 4.202 0.210 1
1 150 . 7 1 1 A 13 13 ALA C C 13 180.069 180.326 -0.257 1
1 151 . 7 1 1 A 13 13 ALA CA C 13 54.990 54.958 0.032 1
1 152 . 7 1 1 A 13 13 ALA CB C 13 18.654 18.367 0.287 1
1 153 . 7 1 1 A 13 13 ALA N N 13 119.900 119.827 0.073 1
1 154 . 7 1 1 A 14 14 LEU H H 14 8.419 7.849 0.570 1
1 155 . 7 1 1 A 14 14 LEU HA H 14 4.418 4.019 0.399 1
1 165 . 7 1 1 A 14 14 LEU C C 14 180.574 179.723 0.851 1
1 166 . 7 1 1 A 14 14 LEU CA C 14 57.488 57.887 -0.399 1
1 167 . 7 1 1 A 14 14 LEU CB C 14 42.008 41.417 0.591 1
1 171 . 7 1 1 A 14 14 LEU N N 14 119.013 118.928 0.085 1
1 172 . 7 1 1 A 15 15 VAL H H 15 8.501 7.665 0.836 1
1 173 . 7 1 1 A 15 15 VAL HA H 15 3.929 3.708 0.221 1
1 181 . 7 1 1 A 15 15 VAL C C 15 178.956 177.996 0.960 1
1 182 . 7 1 1 A 15 15 VAL CA C 15 66.056 66.626 -0.570 1
1 183 . 7 1 1 A 15 15 VAL CB C 15 32.053 31.871 0.182 1
1 186 . 7 1 1 A 15 15 VAL N N 15 120.534 119.971 0.563 1
1 187 . 7 1 1 A 16 16 GLU H H 16 8.238 8.745 -0.507 1
1 188 . 7 1 1 A 16 16 GLU HA H 16 4.216 3.972 0.244 1
1 193 . 7 1 1 A 16 16 GLU C C 16 178.530 179.452 -0.922 1
1 194 . 7 1 1 A 16 16 GLU CA C 16 58.963 59.873 -0.910 1
1 195 . 7 1 1 A 16 16 GLU CB C 16 29.866 29.201 0.665 1
1 197 . 7 1 1 A 16 16 GLU N N 16 119.771 119.645 0.126 1
1 198 . 7 1 1 A 17 17 SER H H 17 7.808 8.039 -0.231 1
1 199 . 7 1 1 A 17 17 SER HA H 17 4.581 4.270 0.311 1
1 202 . 7 1 1 A 17 17 SER C C 17 174.239 175.617 -1.378 1
1 203 . 7 1 1 A 17 17 SER CA C 17 59.839 61.072 -1.233 1
1 204 . 7 1 1 A 17 17 SER CB C 17 64.127 63.597 0.530 1
1 205 . 7 1 1 A 17 17 SER N N 17 113.608 116.980 -3.372 1
1 206 . 7 1 1 A 18 18 ALA H H 18 7.809 7.682 0.127 1
1 207 . 7 1 1 A 18 18 ALA HA H 18 4.358 4.160 0.198 1
1 211 . 7 1 1 A 18 18 ALA C C 18 178.239 178.532 -0.293 1
1 212 . 7 1 1 A 18 18 ALA CA C 18 52.975 53.141 -0.166 1
1 213 . 7 1 1 A 18 18 ALA CB C 18 19.808 19.813 -0.005 1
1 214 . 7 1 1 A 18 18 ALA N N 18 123.180 122.486 0.694 1
1 215 . 7 1 1 A 19 19 GLY H H 19 8.241 8.534 -0.293 1
1 216 . 7 1 1 A 19 19 GLY HA2 H 19 4.060 3.924 0.136 1
1 217 . 7 1 1 A 19 19 GLY HA3 H 19 4.060 3.933 0.127 1
1 218 . 7 1 1 A 19 19 GLY C C 19 174.390 174.162 0.228 1
1 219 . 7 1 1 A 19 19 GLY CA C 19 45.570 47.233 -1.663 1
1 220 . 7 1 1 A 19 19 GLY N N 19 107.414 106.607 0.807 1
1 221 . 7 1 1 A 20 20 GLU H H 20 8.501 8.360 0.141 1
1 222 . 7 1 1 A 20 20 GLU HA H 20 4.481 4.952 -0.471 1
1 227 . 7 1 1 A 20 20 GLU C C 20 176.860 175.459 1.401 1
1 228 . 7 1 1 A 20 20 GLU CA C 20 56.810 55.184 1.626 1
1 229 . 7 1 1 A 20 20 GLU CB C 20 30.060 31.167 -1.107 1
1 231 . 7 1 1 A 20 20 GLU N N 20 120.517 124.804 -4.287 1
1 232 . 7 1 1 A 21 21 THR H H 21 8.251 8.879 -0.628 1
1 233 . 7 1 1 A 21 21 THR HA H 21 4.526 4.555 -0.029 1
1 238 . 7 1 1 A 21 21 THR C C 21 174.520 174.148 0.372 1
1 239 . 7 1 1 A 21 21 THR CA C 21 61.836 63.041 -1.205 1
1 240 . 7 1 1 A 21 21 THR CB C 21 70.007 70.126 -0.119 1
1 242 . 7 1 1 A 21 21 THR N N 21 113.989 119.495 -5.506 1
1 243 . 7 1 1 A 22 22 ASP H H 22 8.497 7.756 0.741 1
1 244 . 7 1 1 A 22 22 ASP HA H 22 4.737 4.885 -0.148 1
1 247 . 7 1 1 A 22 22 ASP C C 22 176.877 174.186 2.691 1
1 248 . 7 1 1 A 22 22 ASP CA C 22 54.739 54.143 0.596 1
1 249 . 7 1 1 A 22 22 ASP CB C 22 41.047 45.023 -3.976 1
1 250 . 7 1 1 A 22 22 ASP N N 22 122.136 116.724 5.412 1
1 251 . 7 1 1 A 23 23 GLY H H 23 8.499 9.202 -0.703 1
1 252 . 7 1 1 A 23 23 GLY HA2 H 23 4.087 3.951 0.136 1
1 253 . 7 1 1 A 23 23 GLY HA3 H 23 4.087 3.953 0.134 1
1 254 . 7 1 1 A 23 23 GLY C C 23 174.775 173.616 1.159 1
1 255 . 7 1 1 A 23 23 GLY CA C 23 45.815 46.845 -1.030 1
1 256 . 7 1 1 A 23 23 GLY N N 23 109.353 113.949 -4.596 1
1 257 . 7 1 1 A 24 24 THR H H 24 8.151 8.421 -0.270 1
1 258 . 7 1 1 A 24 24 THR HA H 24 4.345 4.534 -0.189 1
1 263 . 7 1 1 A 24 24 THR C C 24 174.220 174.480 -0.260 1
1 264 . 7 1 1 A 24 24 THR CA C 24 63.084 61.389 1.695 1
1 265 . 7 1 1 A 24 24 THR CB C 24 69.889 66.445 3.444 1
1 267 . 7 1 1 A 24 24 THR N N 24 115.906 119.373 -3.467 1
1 268 . 7 1 1 A 25 25 ASP H H 25 8.617 8.566 0.051 1
1 269 . 7 1 1 A 25 25 ASP HA H 25 4.726 4.382 0.344 1
1 272 . 7 1 1 A 25 25 ASP C C 25 176.172 176.369 -0.197 1
1 273 . 7 1 1 A 25 25 ASP CA C 25 54.459 54.973 -0.514 1
1 274 . 7 1 1 A 25 25 ASP CB C 25 41.038 40.095 0.943 1
1 275 . 7 1 1 A 25 25 ASP N N 25 123.841 122.474 1.367 1
1 276 . 7 1 1 A 26 26 LEU H H 26 8.468 7.776 0.692 1
1 277 . 7 1 1 A 26 26 LEU HA H 26 4.375 4.040 0.335 1
1 287 . 7 1 1 A 26 26 LEU C C 26 176.307 176.682 -0.375 1
1 288 . 7 1 1 A 26 26 LEU CA C 26 54.128 55.840 -1.712 1
1 289 . 7 1 1 A 26 26 LEU CB C 26 41.100 41.613 -0.513 1
1 293 . 7 1 1 A 26 26 LEU N N 26 123.615 118.318 5.297 1
1 294 . 7 1 1 A 27 27 SER H H 27 8.207 7.689 0.518 1
1 295 . 7 1 1 A 27 27 SER HA H 27 4.303 4.150 0.153 1
1 298 . 7 1 1 A 27 27 SER C C 27 175.019 175.296 -0.277 1
1 299 . 7 1 1 A 27 27 SER CA C 27 59.818 59.900 -0.082 1
1 300 . 7 1 1 A 27 27 SER CB C 27 64.198 63.041 1.157 1
1 301 . 7 1 1 A 27 27 SER N N 27 115.102 115.145 -0.043 1
1 302 . 7 1 1 A 28 28 GLY H H 28 8.581 8.837 -0.256 1
1 303 . 7 1 1 A 28 28 GLY HA2 H 28 4.244 3.898 0.346 1
1 304 . 7 1 1 A 28 28 GLY HA3 H 28 3.890 3.899 -0.009 1
1 305 . 7 1 1 A 28 28 GLY C C 28 174.264 173.176 1.088 1
1 306 . 7 1 1 A 28 28 GLY CA C 28 45.393 46.962 -1.569 1
1 307 . 7 1 1 A 28 28 GLY N N 28 111.287 115.236 -3.949 1
1 308 . 7 1 1 A 29 29 ASP H H 29 8.680 8.689 -0.009 1
1 309 . 7 1 1 A 29 29 ASP HA H 29 4.859 5.435 -0.576 1
1 312 . 7 1 1 A 29 29 ASP C C 29 176.461 174.944 1.517 1
1 313 . 7 1 1 A 29 29 ASP CA C 29 54.284 53.065 1.219 1
1 314 . 7 1 1 A 29 29 ASP CB C 29 39.716 44.616 -4.900 1
1 315 . 7 1 1 A 29 29 ASP N N 29 123.263 125.213 -1.950 1
1 316 . 7 1 1 A 30 30 PHE H H 30 8.064 8.651 -0.587 1
1 317 . 7 1 1 A 30 30 PHE HA H 30 4.766 4.945 -0.179 1
1 325 . 7 1 1 A 30 30 PHE C C 30 175.486 176.292 -0.806 1
1 326 . 7 1 1 A 30 30 PHE CA C 30 57.460 56.674 0.786 1
1 327 . 7 1 1 A 30 30 PHE CB C 30 40.521 39.473 1.048 1
1 333 . 7 1 1 A 30 30 PHE N N 30 122.340 122.175 0.165 1
1 334 . 7 1 1 A 31 31 LEU H H 31 7.535 7.643 -0.108 1
1 335 . 7 1 1 A 31 31 LEU HA H 31 3.309 3.676 -0.367 1
1 345 . 7 1 1 A 31 31 LEU C C 31 176.442 177.143 -0.701 1
1 346 . 7 1 1 A 31 31 LEU CA C 31 57.841 57.012 0.829 1
1 347 . 7 1 1 A 31 31 LEU CB C 31 42.121 41.437 0.684 1
1 351 . 7 1 1 A 31 31 LEU N N 31 118.974 122.333 -3.359 1
1 352 . 7 1 1 A 32 32 ASP H H 32 8.081 7.555 0.526 1
1 353 . 7 1 1 A 32 32 ASP HA H 32 5.057 4.603 0.454 1
1 356 . 7 1 1 A 32 32 ASP C C 32 176.035 176.160 -0.125 1
1 357 . 7 1 1 A 32 32 ASP CA C 32 53.745 54.805 -1.060 1
1 358 . 7 1 1 A 32 32 ASP CB C 32 41.757 41.466 0.291 1
1 359 . 7 1 1 A 32 32 ASP N N 32 111.858 117.354 -5.496 1
1 360 . 7 1 1 A 33 33 LEU H H 33 7.223 7.380 -0.157 1
1 361 . 7 1 1 A 33 33 LEU HA H 33 4.315 4.216 0.099 1
1 371 . 7 1 1 A 33 33 LEU C C 33 174.834 176.517 -1.683 1
1 372 . 7 1 1 A 33 33 LEU CA C 33 54.484 54.747 -0.263 1
1 373 . 7 1 1 A 33 33 LEU CB C 33 42.469 42.587 -0.118 1
1 377 . 7 1 1 A 33 33 LEU N N 33 122.072 122.345 -0.273 1
1 378 . 7 1 1 A 34 34 ARG H H 34 8.486 8.814 -0.328 1
1 379 . 7 1 1 A 34 34 ARG HA H 34 4.746 4.167 0.579 1
1 387 . 7 1 1 A 34 34 ARG C C 34 179.695 177.600 2.095 1
1 388 . 7 1 1 A 34 34 ARG CA C 34 55.460 56.454 -0.994 1
1 389 . 7 1 1 A 34 34 ARG CB C 34 29.981 30.391 -0.410 1
1 393 . 7 1 1 A 34 34 ARG N N 34 116.268 123.613 -7.345 1
1 395 . 7 1 1 A 35 35 PHE H H 35 8.453 8.837 -0.384 1
1 396 . 7 1 1 A 35 35 PHE HA H 35 4.398 4.280 0.118 1
1 404 . 7 1 1 A 35 35 PHE C C 35 178.728 177.981 0.747 1
1 405 . 7 1 1 A 35 35 PHE CA C 35 62.994 61.004 1.990 1
1 406 . 7 1 1 A 35 35 PHE CB C 35 37.964 38.526 -0.562 1
1 412 . 7 1 1 A 35 35 PHE N N 35 123.273 122.492 0.781 1
1 413 . 7 1 1 A 36 36 GLU H H 36 9.540 8.355 1.185 1
1 414 . 7 1 1 A 36 36 GLU HA H 36 4.357 4.073 0.284 1
1 419 . 7 1 1 A 36 36 GLU C C 36 178.636 178.436 0.200 1
1 420 . 7 1 1 A 36 36 GLU CA C 36 59.160 59.949 -0.789 1
1 421 . 7 1 1 A 36 36 GLU CB C 36 29.610 29.390 0.220 1
1 423 . 7 1 1 A 36 36 GLU N N 36 117.074 119.970 -2.896 1
1 424 . 7 1 1 A 37 37 ASP H H 37 7.532 7.797 -0.265 1
1 425 . 7 1 1 A 37 37 ASP HA H 37 4.811 4.427 0.384 1
1 428 . 7 1 1 A 37 37 ASP C C 37 177.974 177.880 0.094 1
1 429 . 7 1 1 A 37 37 ASP CA C 37 56.496 56.749 -0.253 1
1 430 . 7 1 1 A 37 37 ASP CB C 37 41.271 41.087 0.184 1
1 431 . 7 1 1 A 37 37 ASP N N 37 118.229 119.155 -0.926 1
1 432 . 7 1 1 A 38 38 ILE H H 38 7.728 7.623 0.105 1
1 433 . 7 1 1 A 38 38 ILE HA H 38 4.676 4.258 0.418 1
1 443 . 7 1 1 A 38 38 ILE C C 38 176.102 176.321 -0.219 1
1 444 . 7 1 1 A 38 38 ILE CA C 38 61.973 60.627 1.346 1
1 445 . 7 1 1 A 38 38 ILE CB C 38 38.682 37.470 1.212 1
1 449 . 7 1 1 A 38 38 ILE N N 38 112.806 111.729 1.077 1
1 450 . 7 1 1 A 39 39 GLY H H 39 7.735 7.897 -0.162 1
1 451 . 7 1 1 A 39 39 GLY HA2 H 39 4.271 3.987 0.284 1
1 452 . 7 1 1 A 39 39 GLY HA3 H 39 3.898 4.001 -0.103 1
1 453 . 7 1 1 A 39 39 GLY C C 39 174.444 174.145 0.299 1
1 454 . 7 1 1 A 39 39 GLY CA C 39 46.438 46.500 -0.062 1
1 455 . 7 1 1 A 39 39 GLY N N 39 107.120 110.857 -3.737 1
1 456 . 7 1 1 A 40 40 TYR H H 40 8.081 8.230 -0.149 1
1 457 . 7 1 1 A 40 40 TYR HA H 40 4.586 4.654 -0.068 1
1 464 . 7 1 1 A 40 40 TYR C C 40 174.461 174.756 -0.295 1
1 465 . 7 1 1 A 40 40 TYR CA C 40 58.185 57.462 0.723 1
1 466 . 7 1 1 A 40 40 TYR CB C 40 40.424 39.802 0.622 1
1 471 . 7 1 1 A 40 40 TYR N N 40 121.688 119.262 2.426 1
1 472 . 7 1 1 A 41 41 ASP H H 41 8.040 8.913 -0.873 1
1 473 . 7 1 1 A 41 41 ASP HA H 41 4.727 4.803 -0.076 1
1 476 . 7 1 1 A 41 41 ASP C C 41 175.980 177.348 -1.368 1
1 477 . 7 1 1 A 41 41 ASP CA C 41 52.812 54.047 -1.235 1
1 478 . 7 1 1 A 41 41 ASP CB C 41 42.068 41.741 0.327 1
1 479 . 7 1 1 A 41 41 ASP N N 41 124.041 126.051 -2.010 1
1 480 . 7 1 1 A 42 42 SER H H 42 8.561 9.022 -0.461 1
1 481 . 7 1 1 A 42 42 SER HA H 42 4.198 4.087 0.111 1
1 484 . 7 1 1 A 42 42 SER C C 42 176.472 176.706 -0.234 1
1 485 . 7 1 1 A 42 42 SER CA C 42 62.309 62.206 0.103 1
1 486 . 7 1 1 A 42 42 SER CB C 42 62.943 62.542 0.401 1
1 487 . 7 1 1 A 42 42 SER N N 42 114.493 118.484 -3.991 1
1 488 . 7 1 1 A 43 43 LEU H H 43 7.804 8.007 -0.203 1
1 489 . 7 1 1 A 43 43 LEU HA H 43 4.270 4.067 0.203 1
1 499 . 7 1 1 A 43 43 LEU C C 43 179.551 178.338 1.213 1
1 500 . 7 1 1 A 43 43 LEU CA C 43 58.369 57.966 0.403 1
1 501 . 7 1 1 A 43 43 LEU CB C 43 41.057 41.624 -0.567 1
1 505 . 7 1 1 A 43 43 LEU N N 43 122.459 124.347 -1.888 1
1 506 . 7 1 1 A 44 44 ALA H H 44 8.064 8.229 -0.165 1
1 507 . 7 1 1 A 44 44 ALA HA H 44 4.334 3.995 0.339 1
1 511 . 7 1 1 A 44 44 ALA C C 44 181.733 180.101 1.632 1
1 512 . 7 1 1 A 44 44 ALA CA C 44 54.987 55.186 -0.199 1
1 513 . 7 1 1 A 44 44 ALA CB C 44 18.500 18.056 0.444 1
1 514 . 7 1 1 A 44 44 ALA N N 44 123.223 120.948 2.275 1
1 515 . 7 1 1 A 45 45 LEU H H 45 8.422 8.498 -0.076 1
1 516 . 7 1 1 A 45 45 LEU HA H 45 3.907 4.101 -0.194 1
1 526 . 7 1 1 A 45 45 LEU C C 45 178.613 178.730 -0.117 1
1 527 . 7 1 1 A 45 45 LEU CA C 45 58.419 57.862 0.557 1
1 528 . 7 1 1 A 45 45 LEU CB C 45 41.643 41.458 0.185 1
1 532 . 7 1 1 A 45 45 LEU N N 45 121.714 120.151 1.563 1
1 533 . 7 1 1 A 46 46 MET H H 46 8.344 8.722 -0.378 1
1 534 . 7 1 1 A 46 46 MET HA H 46 4.259 4.050 0.209 1
1 539 . 7 1 1 A 46 46 MET C C 46 179.856 178.455 1.401 1
1 540 . 7 1 1 A 46 46 MET CA C 46 58.769 58.851 -0.082 1
1 541 . 7 1 1 A 46 46 MET CB C 46 32.022 32.751 -0.729 1
1 543 . 7 1 1 A 46 46 MET N N 46 119.039 117.112 1.927 1
1 544 . 7 1 1 A 47 47 GLU H H 47 8.414 8.323 0.091 1
1 545 . 7 1 1 A 47 47 GLU HA H 47 4.257 4.125 0.132 1
1 550 . 7 1 1 A 47 47 GLU C C 47 179.208 179.463 -0.255 1
1 551 . 7 1 1 A 47 47 GLU CA C 47 59.504 59.164 0.340 1
1 552 . 7 1 1 A 47 47 GLU CB C 47 29.229 29.291 -0.062 1
1 554 . 7 1 1 A 47 47 GLU N N 47 121.231 120.626 0.605 1
1 555 . 7 1 1 A 48 48 THR H H 48 8.329 7.889 0.440 1
1 556 . 7 1 1 A 48 48 THR HA H 48 3.962 4.284 -0.322 1
1 561 . 7 1 1 A 48 48 THR C C 48 176.334 176.338 -0.004 1
1 562 . 7 1 1 A 48 48 THR CA C 48 67.882 66.661 1.221 1
1 563 . 7 1 1 A 48 48 THR CB C 48 68.478 68.707 -0.229 1
1 565 . 7 1 1 A 48 48 THR N N 48 118.600 116.962 1.638 1
1 566 . 7 1 1 A 49 49 ALA H H 49 8.756 8.463 0.293 1
1 567 . 7 1 1 A 49 49 ALA HA H 49 3.963 3.934 0.029 1
1 571 . 7 1 1 A 49 49 ALA C C 49 178.615 179.294 -0.679 1
1 572 . 7 1 1 A 49 49 ALA CA C 49 56.227 55.534 0.693 1
1 573 . 7 1 1 A 49 49 ALA CB C 49 17.499 17.949 -0.450 1
1 574 . 7 1 1 A 49 49 ALA N N 49 123.599 122.923 0.676 1
1 575 . 7 1 1 A 50 50 ALA H H 50 8.191 8.462 -0.271 1
1 576 . 7 1 1 A 50 50 ALA HA H 50 4.281 4.064 0.217 1
1 580 . 7 1 1 A 50 50 ALA C C 50 181.272 180.497 0.775 1
1 581 . 7 1 1 A 50 50 ALA CA C 50 55.488 55.346 0.142 1
1 582 . 7 1 1 A 50 50 ALA CB C 50 18.107 18.282 -0.175 1
1 583 . 7 1 1 A 50 50 ALA N N 50 119.558 120.286 -0.728 1
1 584 . 7 1 1 A 51 51 ARG H H 51 8.146 8.238 -0.092 1
1 585 . 7 1 1 A 51 51 ARG HA H 51 4.257 4.038 0.219 1
1 593 . 7 1 1 A 51 51 ARG C C 51 179.815 178.684 1.131 1
1 594 . 7 1 1 A 51 51 ARG CA C 51 59.591 59.272 0.319 1
1 595 . 7 1 1 A 51 51 ARG CB C 51 30.400 29.848 0.552 1
1 599 . 7 1 1 A 51 51 ARG N N 51 119.722 117.958 1.764 1
1 601 . 7 1 1 A 52 52 LEU H H 52 8.432 8.314 0.118 1
1 602 . 7 1 1 A 52 52 LEU HA H 52 4.330 4.140 0.190 1
1 612 . 7 1 1 A 52 52 LEU C C 52 179.152 179.331 -0.179 1
1 613 . 7 1 1 A 52 52 LEU CA C 52 58.139 58.151 -0.012 1
1 614 . 7 1 1 A 52 52 LEU CB C 52 42.615 41.281 1.334 1
1 618 . 7 1 1 A 52 52 LEU N N 52 120.470 119.685 0.785 1
1 619 . 7 1 1 A 53 53 GLU H H 53 8.989 8.861 0.128 1
1 620 . 7 1 1 A 53 53 GLU HA H 53 4.105 3.970 0.135 1
1 625 . 7 1 1 A 53 53 GLU C C 53 179.370 179.086 0.284 1
1 626 . 7 1 1 A 53 53 GLU CA C 53 60.145 59.874 0.271 1
1 627 . 7 1 1 A 53 53 GLU CB C 53 29.184 29.359 -0.175 1
1 629 . 7 1 1 A 53 53 GLU N N 53 119.668 119.181 0.487 1
1 630 . 7 1 1 A 54 54 SER H H 54 8.028 8.307 -0.279 1
1 631 . 7 1 1 A 54 54 SER HA H 54 4.392 4.135 0.257 1
1 634 . 7 1 1 A 54 54 SER C C 54 176.891 176.017 0.874 1
1 635 . 7 1 1 A 54 54 SER CA C 54 61.162 61.784 -0.622 1
1 636 . 7 1 1 A 54 54 SER CB C 54 63.222 62.827 0.395 1
1 637 . 7 1 1 A 54 54 SER N N 54 112.842 116.788 -3.946 1
1 638 . 7 1 1 A 55 55 ARG H H 55 8.070 8.234 -0.164 1
1 639 . 7 1 1 A 55 55 ARG HA H 55 4.111 3.967 0.144 1
1 647 . 7 1 1 A 55 55 ARG C C 55 177.830 177.674 0.156 1
1 648 . 7 1 1 A 55 55 ARG CA C 55 58.824 58.994 -0.170 1
1 649 . 7 1 1 A 55 55 ARG CB C 55 30.829 29.762 1.067 1
1 653 . 7 1 1 A 55 55 ARG N N 55 120.550 121.767 -1.217 1
1 655 . 7 1 1 A 56 56 TYR H H 56 8.171 8.091 0.080 1
1 656 . 7 1 1 A 56 56 TYR HA H 56 4.685 4.647 0.038 1
1 663 . 7 1 1 A 56 56 TYR C C 56 176.027 175.883 0.144 1
1 664 . 7 1 1 A 56 56 TYR CA C 56 59.110 58.059 1.051 1
1 665 . 7 1 1 A 56 56 TYR CB C 56 39.339 39.030 0.309 1
1 670 . 7 1 1 A 56 56 TYR N N 56 113.561 114.643 -1.082 1
1 671 . 7 1 1 A 57 57 GLY H H 57 7.998 8.738 -0.740 1
1 672 . 7 1 1 A 57 57 GLY HA2 H 57 4.105 3.992 0.113 1
1 673 . 7 1 1 A 57 57 GLY HA3 H 57 4.105 3.999 0.106 1
1 674 . 7 1 1 A 57 57 GLY C C 57 174.600 173.865 0.735 1
1 675 . 7 1 1 A 57 57 GLY CA C 57 47.349 46.858 0.491 1
1 676 . 7 1 1 A 57 57 GLY N N 57 109.470 109.955 -0.485 1
1 677 . 7 1 1 A 58 58 VAL H H 58 7.515 7.319 0.196 1
1 678 . 7 1 1 A 58 58 VAL HA H 58 4.694 4.986 -0.292 1
1 686 . 7 1 1 A 58 58 VAL C C 58 174.016 174.581 -0.565 1
1 687 . 7 1 1 A 58 58 VAL CA C 58 59.282 58.963 0.319 1
1 688 . 7 1 1 A 58 58 VAL CB C 58 34.791 36.511 -1.720 1
1 691 . 7 1 1 A 58 58 VAL N N 58 112.406 114.126 -1.720 1
1 692 . 7 1 1 A 59 59 SER H H 59 8.489 8.892 -0.403 1
1 693 . 7 1 1 A 59 59 SER HA H 59 4.847 5.594 -0.747 1
1 696 . 7 1 1 A 59 59 SER C C 59 173.643 172.999 0.644 1
1 697 . 7 1 1 A 59 59 SER CA C 59 57.213 57.727 -0.514 1
1 698 . 7 1 1 A 59 59 SER CB C 59 64.285 65.709 -1.424 1
1 699 . 7 1 1 A 59 59 SER N N 59 116.724 117.320 -0.596 1
1 700 . 7 1 1 A 60 60 ILE H H 60 8.224 9.607 -1.383 1
1 701 . 7 1 1 A 60 60 ILE HA H 60 4.676 4.610 0.066 1
1 711 . 7 1 1 A 60 60 ILE CA C 60 57.702 57.560 0.142 1
1 712 . 7 1 1 A 60 60 ILE CB C 60 40.520 39.074 1.446 1
1 716 . 7 1 1 A 60 60 ILE N N 60 125.582 127.187 -1.605 1
1 717 . 7 1 1 A 61 61 PRO HA H 61 4.543 4.561 -0.018 1
1 724 . 7 1 1 A 61 61 PRO C C 61 177.547 177.484 0.063 1
1 725 . 7 1 1 A 61 61 PRO CA C 61 63.523 63.211 0.312 1
1 726 . 7 1 1 A 61 61 PRO CB C 61 32.704 31.869 0.835 1
1 729 . 7 1 1 A 62 62 ASP H H 62 8.857 8.705 0.152 1
1 730 . 7 1 1 A 62 62 ASP HA H 62 4.447 4.290 0.157 1
1 733 . 7 1 1 A 62 62 ASP C C 62 177.504 177.726 -0.222 1
1 734 . 7 1 1 A 62 62 ASP CA C 62 57.105 57.639 -0.534 1
1 735 . 7 1 1 A 62 62 ASP CB C 62 40.668 40.539 0.129 1
1 736 . 7 1 1 A 62 62 ASP N N 62 123.624 123.414 0.210 1
1 737 . 7 1 1 A 63 63 ASP H H 63 8.691 7.956 0.735 1
1 738 . 7 1 1 A 63 63 ASP HA H 63 4.508 4.526 -0.018 1
1 741 . 7 1 1 A 63 63 ASP C C 63 177.468 178.723 -1.255 1
1 742 . 7 1 1 A 63 63 ASP CA C 63 55.267 56.956 -1.689 1
1 743 . 7 1 1 A 63 63 ASP CB C 63 39.691 41.086 -1.395 1
1 744 . 7 1 1 A 63 63 ASP N N 63 116.744 118.869 -2.125 1
1 745 . 7 1 1 A 64 64 VAL H H 64 7.388 7.802 -0.414 1
1 746 . 7 1 1 A 64 64 VAL HA H 64 3.789 3.589 0.200 1
1 754 . 7 1 1 A 64 64 VAL C C 64 177.793 178.176 -0.383 1
1 755 . 7 1 1 A 64 64 VAL CA C 64 65.251 66.376 -1.125 1
1 756 . 7 1 1 A 64 64 VAL CB C 64 32.347 31.472 0.875 1
1 759 . 7 1 1 A 64 64 VAL N N 64 119.303 121.394 -2.091 1
1 760 . 7 1 1 A 65 65 ALA H H 65 8.212 8.049 0.163 1
1 761 . 7 1 1 A 65 65 ALA HA H 65 3.967 4.086 -0.119 1
1 765 . 7 1 1 A 65 65 ALA C C 65 178.005 178.855 -0.850 1
1 766 . 7 1 1 A 65 65 ALA CA C 65 55.196 55.035 0.161 1
1 767 . 7 1 1 A 65 65 ALA CB C 65 18.373 18.470 -0.097 1
1 768 . 7 1 1 A 65 65 ALA N N 65 122.060 121.289 0.771 1
1 769 . 7 1 1 A 66 66 GLY H H 66 7.995 8.004 -0.009 1
1 770 . 7 1 1 A 66 66 GLY HA2 H 66 4.133 4.013 0.120 1
1 771 . 7 1 1 A 66 66 GLY HA3 H 66 3.912 4.016 -0.104 1
1 772 . 7 1 1 A 66 66 GLY C C 66 174.615 174.844 -0.229 1
1 773 . 7 1 1 A 66 66 GLY CA C 66 45.925 45.411 0.514 1
1 774 . 7 1 1 A 66 66 GLY N N 66 99.445 105.436 -5.991 1
1 775 . 7 1 1 A 67 67 ARG H H 67 7.478 8.107 -0.629 1
1 776 . 7 1 1 A 67 67 ARG HA H 67 4.659 4.439 0.220 1
1 784 . 7 1 1 A 67 67 ARG C C 67 176.470 175.773 0.697 1
1 785 . 7 1 1 A 67 67 ARG CA C 67 55.647 57.382 -1.735 1
1 786 . 7 1 1 A 67 67 ARG CB C 67 31.843 31.409 0.434 1
1 790 . 7 1 1 A 67 67 ARG N N 67 116.761 119.449 -2.688 1
1 792 . 7 1 1 A 68 68 VAL H H 68 7.244 7.083 0.161 1
1 793 . 7 1 1 A 68 68 VAL HA H 68 4.437 4.144 0.293 1
1 801 . 7 1 1 A 68 68 VAL C C 68 175.250 175.536 -0.286 1
1 802 . 7 1 1 A 68 68 VAL CA C 68 61.919 61.878 0.041 1
1 803 . 7 1 1 A 68 68 VAL CB C 68 33.329 32.132 1.197 1
1 806 . 7 1 1 A 68 68 VAL N N 68 114.725 115.728 -1.003 1
1 807 . 7 1 1 A 69 69 ASP H H 69 9.180 9.351 -0.171 1
1 808 . 7 1 1 A 69 69 ASP HA H 69 5.272 4.924 0.348 1
1 811 . 7 1 1 A 69 69 ASP C C 69 177.035 175.808 1.227 1
1 812 . 7 1 1 A 69 69 ASP CA C 69 55.862 55.359 0.503 1
1 813 . 7 1 1 A 69 69 ASP CB C 69 44.421 42.597 1.824 1
1 814 . 7 1 1 A 69 69 ASP N N 69 120.929 125.580 -4.651 1
1 815 . 7 1 1 A 70 70 THR H H 70 7.490 7.887 -0.397 1
1 816 . 7 1 1 A 70 70 THR HA H 70 4.969 4.263 0.706 1
1 821 . 7 1 1 A 70 70 THR CA C 70 57.776 58.073 -0.297 1
1 822 . 7 1 1 A 70 70 THR CB C 70 71.416 69.952 1.464 1
1 824 . 7 1 1 A 70 70 THR N N 70 107.879 108.486 -0.607 1
1 825 . 7 1 1 A 71 71 PRO HA H 71 4.247 4.272 -0.025 1
1 832 . 7 1 1 A 71 71 PRO C C 71 177.413 178.143 -0.730 1
1 833 . 7 1 1 A 71 71 PRO CA C 71 65.812 64.956 0.856 1
1 834 . 7 1 1 A 71 71 PRO CB C 71 32.647 31.444 1.203 1
1 837 . 7 1 1 A 72 72 ARG H H 72 9.000 8.337 0.663 1
1 838 . 7 1 1 A 72 72 ARG HA H 72 3.619 3.968 -0.349 1
1 850 . 7 1 1 A 72 72 ARG C C 72 177.530 178.750 -1.220 1
1 851 . 7 1 1 A 72 72 ARG CA C 72 60.211 58.980 1.231 1
1 852 . 7 1 1 A 72 72 ARG CB C 72 30.433 29.842 0.591 1
1 856 . 7 1 1 A 72 72 ARG N N 72 117.747 116.587 1.160 1
1 860 . 7 1 1 A 73 73 GLU H H 73 7.840 7.697 0.143 1
1 861 . 7 1 1 A 73 73 GLU HA H 73 4.245 4.028 0.217 1
1 866 . 7 1 1 A 73 73 GLU C C 73 180.139 179.121 1.018 1
1 867 . 7 1 1 A 73 73 GLU CA C 73 59.071 58.713 0.358 1
1 868 . 7 1 1 A 73 73 GLU CB C 73 30.230 29.566 0.664 1
1 870 . 7 1 1 A 73 73 GLU N N 73 116.639 119.291 -2.652 1
1 871 . 7 1 1 A 74 74 LEU H H 74 7.693 7.775 -0.082 1
1 872 . 7 1 1 A 74 74 LEU HA H 74 4.324 4.084 0.240 1
1 882 . 7 1 1 A 74 74 LEU C C 74 177.000 178.199 -1.199 1
1 883 . 7 1 1 A 74 74 LEU CA C 74 58.123 58.157 -0.034 1
1 884 . 7 1 1 A 74 74 LEU CB C 74 42.242 41.739 0.503 1
1 888 . 7 1 1 A 74 74 LEU N N 74 120.218 121.966 -1.748 1
1 889 . 7 1 1 A 75 75 LEU H H 75 8.731 8.527 0.204 1
1 890 . 7 1 1 A 75 75 LEU HA H 75 3.904 3.923 -0.019 1
1 900 . 7 1 1 A 75 75 LEU C C 75 178.122 178.042 0.080 1
1 901 . 7 1 1 A 75 75 LEU CA C 75 58.462 58.471 -0.009 1
1 902 . 7 1 1 A 75 75 LEU CB C 75 42.400 41.638 0.762 1
1 906 . 7 1 1 A 75 75 LEU N N 75 121.211 119.748 1.463 1
1 907 . 7 1 1 A 76 76 ASP H H 76 8.703 8.231 0.472 1
1 908 . 7 1 1 A 76 76 ASP HA H 76 4.497 4.268 0.229 1
1 911 . 7 1 1 A 76 76 ASP C C 76 180.101 178.300 1.801 1
1 912 . 7 1 1 A 76 76 ASP CA C 76 57.325 57.719 -0.394 1
1 913 . 7 1 1 A 76 76 ASP CB C 76 39.936 42.075 -2.139 1
1 914 . 7 1 1 A 76 76 ASP N N 76 117.466 118.797 -1.331 1
1 915 . 7 1 1 A 77 77 LEU H H 77 8.019 8.017 0.002 1
1 916 . 7 1 1 A 77 77 LEU HA H 77 4.282 4.027 0.255 1
1 926 . 7 1 1 A 77 77 LEU C C 77 179.840 178.481 1.359 1
1 927 . 7 1 1 A 77 77 LEU CA C 77 58.417 58.495 -0.078 1
1 928 . 7 1 1 A 77 77 LEU CB C 77 42.856 41.791 1.065 1
1 932 . 7 1 1 A 77 77 LEU N N 77 122.891 120.226 2.665 1
1 933 . 7 1 1 A 78 78 ILE H H 78 8.281 8.145 0.136 1
1 934 . 7 1 1 A 78 78 ILE HA H 78 3.756 3.594 0.162 1
1 944 . 7 1 1 A 78 78 ILE C C 78 177.655 178.205 -0.550 1
1 945 . 7 1 1 A 78 78 ILE CA C 78 64.638 64.709 -0.071 1
1 946 . 7 1 1 A 78 78 ILE CB C 78 37.325 36.642 0.683 1
1 950 . 7 1 1 A 78 78 ILE N N 78 119.758 119.365 0.393 1
1 951 . 7 1 1 A 79 79 ASN H H 79 8.880 8.931 -0.051 1
1 952 . 7 1 1 A 79 79 ASN HA H 79 4.918 4.398 0.520 1
1 957 . 7 1 1 A 79 79 ASN C C 79 179.481 179.117 0.364 1
1 958 . 7 1 1 A 79 79 ASN CA C 79 55.446 56.014 -0.568 1
1 959 . 7 1 1 A 79 79 ASN CB C 79 37.299 37.718 -0.419 1
1 960 . 7 1 1 A 79 79 ASN N N 79 117.848 119.907 -2.059 1
1 962 . 7 1 1 A 80 80 GLY H H 80 8.441 8.628 -0.187 1
1 963 . 7 1 1 A 80 80 GLY HA2 H 80 4.036 3.791 0.245 1
1 964 . 7 1 1 A 80 80 GLY HA3 H 80 4.036 3.793 0.243 1
1 965 . 7 1 1 A 80 80 GLY C C 80 175.746 176.297 -0.551 1
1 966 . 7 1 1 A 80 80 GLY CA C 80 47.065 46.969 0.096 1
1 967 . 7 1 1 A 80 80 GLY N N 80 110.120 109.047 1.073 1
1 968 . 7 1 1 A 81 81 ALA H H 81 7.604 7.880 -0.276 1
1 969 . 7 1 1 A 81 81 ALA HA H 81 4.467 3.986 0.481 1
1 973 . 7 1 1 A 81 81 ALA C C 81 180.565 180.218 0.347 1
1 974 . 7 1 1 A 81 81 ALA CA C 81 54.298 54.608 -0.310 1
1 975 . 7 1 1 A 81 81 ALA CB C 81 18.530 18.581 -0.051 1
1 976 . 7 1 1 A 81 81 ALA N N 81 124.070 125.160 -1.090 1
1 977 . 7 1 1 A 82 82 LEU H H 82 8.299 8.523 -0.224 1
1 978 . 7 1 1 A 82 82 LEU HA H 82 4.219 4.014 0.205 1
1 988 . 7 1 1 A 82 82 LEU C C 82 178.837 179.524 -0.687 1
1 989 . 7 1 1 A 82 82 LEU CA C 82 56.967 57.598 -0.631 1
1 990 . 7 1 1 A 82 82 LEU CB C 82 42.610 41.410 1.200 1
1 994 . 7 1 1 A 82 82 LEU N N 82 119.823 119.870 -0.047 1
1 995 . 7 1 1 A 83 83 ALA H H 83 7.964 8.066 -0.102 1
1 996 . 7 1 1 A 83 83 ALA HA H 83 4.298 4.049 0.249 1
1 1000 . 7 1 1 A 83 83 ALA C C 83 178.739 178.210 0.529 1
1 1001 . 7 1 1 A 83 83 ALA CA C 83 53.965 54.820 -0.855 1
1 1002 . 7 1 1 A 83 83 ALA CB C 83 18.917 18.056 0.861 1
1 1003 . 7 1 1 A 83 83 ALA N N 83 121.306 122.212 -0.906 1
1 1004 . 7 1 1 A 84 84 GLU H H 84 7.746 7.880 -0.134 1
1 1005 . 7 1 1 A 84 84 GLU HA H 84 4.396 4.316 0.080 1
1 1010 . 7 1 1 A 84 84 GLU C C 84 176.347 176.664 -0.317 1
1 1011 . 7 1 1 A 84 84 GLU CA C 84 56.739 57.652 -0.913 1
1 1012 . 7 1 1 A 84 84 GLU CB C 84 30.126 30.187 -0.061 1
1 1014 . 7 1 1 A 84 84 GLU N N 84 117.080 115.145 1.935 1
1 1015 . 7 1 1 A 85 85 ALA H H 85 7.832 7.434 0.398 1
1 1016 . 7 1 1 A 85 85 ALA HA H 85 4.485 4.434 0.051 1
1 1020 . 7 1 1 A 85 85 ALA C C 85 176.564 176.232 0.332 1
1 1021 . 7 1 1 A 85 85 ALA CA C 85 52.485 51.819 0.666 1
1 1022 . 7 1 1 A 85 85 ALA CB C 85 19.529 20.883 -1.354 1
1 1023 . 7 1 1 A 85 85 ALA N N 85 124.010 122.225 1.785 1
1 1 . 8 1 1 A 2 2 ALA HA H 2 4.297 4.444 -0.147 1
1 5 . 8 1 1 A 2 2 ALA C C 2 173.708 176.946 -3.238 1
1 6 . 8 1 1 A 2 2 ALA CA C 2 51.945 51.830 0.115 1
1 7 . 8 1 1 A 2 2 ALA CB C 2 19.979 19.557 0.422 1
1 8 . 8 1 1 A 3 3 THR H H 3 8.680 8.760 -0.080 1
1 9 . 8 1 1 A 3 3 THR HA H 3 4.411 4.864 -0.453 1
1 14 . 8 1 1 A 3 3 THR C C 3 172.914 171.710 1.204 1
1 15 . 8 1 1 A 3 3 THR CA C 3 62.665 60.746 1.919 1
1 16 . 8 1 1 A 3 3 THR CB C 3 69.902 72.050 -2.148 1
1 18 . 8 1 1 A 3 3 THR N N 3 117.458 116.539 0.919 1
1 19 . 8 1 1 A 4 4 LEU H H 4 8.145 8.664 -0.519 1
1 20 . 8 1 1 A 4 4 LEU HA H 4 4.384 4.320 0.064 1
1 30 . 8 1 1 A 4 4 LEU C C 4 177.176 175.948 1.228 1
1 31 . 8 1 1 A 4 4 LEU CA C 4 54.765 55.877 -1.112 1
1 32 . 8 1 1 A 4 4 LEU CB C 4 42.790 42.954 -0.164 1
1 36 . 8 1 1 A 4 4 LEU N N 4 124.380 130.214 -5.834 1
1 37 . 8 1 1 A 5 5 LEU H H 5 9.419 8.447 0.972 1
1 38 . 8 1 1 A 5 5 LEU HA H 5 4.536 4.958 -0.422 1
1 48 . 8 1 1 A 5 5 LEU C C 5 177.849 176.767 1.082 1
1 49 . 8 1 1 A 5 5 LEU CA C 5 55.488 53.294 2.194 1
1 50 . 8 1 1 A 5 5 LEU CB C 5 42.700 43.159 -0.459 1
1 54 . 8 1 1 A 5 5 LEU N N 5 124.415 126.811 -2.396 1
1 55 . 8 1 1 A 6 6 THR H H 6 8.995 8.838 0.157 1
1 56 . 8 1 1 A 6 6 THR HA H 6 4.783 4.740 0.043 1
1 61 . 8 1 1 A 6 6 THR C C 6 175.943 176.358 -0.415 1
1 62 . 8 1 1 A 6 6 THR CA C 6 59.961 60.085 -0.124 1
1 63 . 8 1 1 A 6 6 THR CB C 6 72.429 70.822 1.607 1
1 65 . 8 1 1 A 6 6 THR N N 6 114.757 115.827 -1.070 1
1 66 . 8 1 1 A 7 7 THR H H 7 8.851 8.902 -0.051 1
1 67 . 8 1 1 A 7 7 THR HA H 7 3.881 3.912 -0.031 1
1 72 . 8 1 1 A 7 7 THR C C 7 176.566 176.023 0.543 1
1 73 . 8 1 1 A 7 7 THR CA C 7 67.277 67.159 0.118 1
1 74 . 8 1 1 A 7 7 THR CB C 7 68.542 68.513 0.029 1
1 76 . 8 1 1 A 7 7 THR N N 7 115.540 116.581 -1.041 1
1 77 . 8 1 1 A 8 8 ASP H H 8 8.279 7.862 0.417 1
1 78 . 8 1 1 A 8 8 ASP HA H 8 4.638 4.384 0.254 1
1 81 . 8 1 1 A 8 8 ASP C C 8 178.553 178.633 -0.080 1
1 82 . 8 1 1 A 8 8 ASP CA C 8 57.738 57.675 0.063 1
1 83 . 8 1 1 A 8 8 ASP CB C 8 41.219 41.095 0.124 1
1 84 . 8 1 1 A 8 8 ASP N N 8 119.967 120.699 -0.732 1
1 85 . 8 1 1 A 9 9 ASP H H 9 7.905 7.914 -0.009 1
1 86 . 8 1 1 A 9 9 ASP HA H 9 4.573 4.537 0.036 1
1 89 . 8 1 1 A 9 9 ASP C C 9 179.411 178.847 0.564 1
1 90 . 8 1 1 A 9 9 ASP CA C 9 57.667 57.550 0.117 1
1 91 . 8 1 1 A 9 9 ASP CB C 9 41.453 40.512 0.941 1
1 92 . 8 1 1 A 9 9 ASP N N 9 120.222 118.902 1.320 1
1 93 . 8 1 1 A 10 10 LEU H H 10 8.097 8.216 -0.119 1
1 94 . 8 1 1 A 10 10 LEU HA H 10 4.225 4.115 0.110 1
1 104 . 8 1 1 A 10 10 LEU C C 10 177.475 178.520 -1.045 1
1 105 . 8 1 1 A 10 10 LEU CA C 10 57.959 58.164 -0.205 1
1 106 . 8 1 1 A 10 10 LEU CB C 10 42.013 41.708 0.305 1
1 110 . 8 1 1 A 10 10 LEU N N 10 121.315 121.417 -0.102 1
1 111 . 8 1 1 A 11 11 ARG H H 11 8.841 8.579 0.262 1
1 112 . 8 1 1 A 11 11 ARG HA H 11 3.524 4.028 -0.504 1
1 120 . 8 1 1 A 11 11 ARG C C 11 177.728 178.662 -0.934 1
1 121 . 8 1 1 A 11 11 ARG CA C 11 60.662 59.775 0.887 1
1 122 . 8 1 1 A 11 11 ARG CB C 11 30.618 29.928 0.690 1
1 126 . 8 1 1 A 11 11 ARG N N 11 119.774 119.646 0.128 1
1 128 . 8 1 1 A 12 12 ARG H H 12 7.988 7.896 0.092 1
1 129 . 8 1 1 A 12 12 ARG HA H 12 4.041 4.054 -0.013 1
1 137 . 8 1 1 A 12 12 ARG C C 12 178.452 178.403 0.049 1
1 138 . 8 1 1 A 12 12 ARG CA C 12 59.748 59.521 0.227 1
1 139 . 8 1 1 A 12 12 ARG CB C 12 30.414 30.103 0.311 1
1 143 . 8 1 1 A 12 12 ARG N N 12 115.529 119.850 -4.321 1
1 145 . 8 1 1 A 13 13 ALA H H 13 7.722 7.709 0.013 1
1 146 . 8 1 1 A 13 13 ALA HA H 13 4.412 4.155 0.257 1
1 150 . 8 1 1 A 13 13 ALA C C 13 180.069 180.257 -0.188 1
1 151 . 8 1 1 A 13 13 ALA CA C 13 54.990 55.033 -0.043 1
1 152 . 8 1 1 A 13 13 ALA CB C 13 18.654 18.217 0.437 1
1 153 . 8 1 1 A 13 13 ALA N N 13 119.900 121.197 -1.297 1
1 154 . 8 1 1 A 14 14 LEU H H 14 8.419 7.943 0.476 1
1 155 . 8 1 1 A 14 14 LEU HA H 14 4.418 4.086 0.332 1
1 165 . 8 1 1 A 14 14 LEU C C 14 180.574 179.794 0.780 1
1 166 . 8 1 1 A 14 14 LEU CA C 14 57.488 58.066 -0.578 1
1 167 . 8 1 1 A 14 14 LEU CB C 14 42.008 41.520 0.488 1
1 171 . 8 1 1 A 14 14 LEU N N 14 119.013 118.593 0.420 1
1 172 . 8 1 1 A 15 15 VAL H H 15 8.501 8.385 0.116 1
1 173 . 8 1 1 A 15 15 VAL HA H 15 3.929 3.608 0.321 1
1 181 . 8 1 1 A 15 15 VAL C C 15 178.956 178.195 0.761 1
1 182 . 8 1 1 A 15 15 VAL CA C 15 66.056 67.208 -1.152 1
1 183 . 8 1 1 A 15 15 VAL CB C 15 32.053 31.297 0.756 1
1 186 . 8 1 1 A 15 15 VAL N N 15 120.534 120.556 -0.022 1
1 187 . 8 1 1 A 16 16 GLU H H 16 8.238 7.996 0.242 1
1 188 . 8 1 1 A 16 16 GLU HA H 16 4.216 4.003 0.213 1
1 193 . 8 1 1 A 16 16 GLU C C 16 178.530 178.777 -0.247 1
1 194 . 8 1 1 A 16 16 GLU CA C 16 58.963 59.744 -0.781 1
1 195 . 8 1 1 A 16 16 GLU CB C 16 29.866 29.492 0.374 1
1 197 . 8 1 1 A 16 16 GLU N N 16 119.771 120.383 -0.612 1
1 198 . 8 1 1 A 17 17 SER H H 17 7.808 7.865 -0.057 1
1 199 . 8 1 1 A 17 17 SER HA H 17 4.581 4.326 0.255 1
1 202 . 8 1 1 A 17 17 SER C C 17 174.239 176.099 -1.860 1
1 203 . 8 1 1 A 17 17 SER CA C 17 59.839 60.367 -0.528 1
1 204 . 8 1 1 A 17 17 SER CB C 17 64.127 62.866 1.261 1
1 205 . 8 1 1 A 17 17 SER N N 17 113.608 114.728 -1.120 1
1 206 . 8 1 1 A 18 18 ALA H H 18 7.809 7.389 0.420 1
1 207 . 8 1 1 A 18 18 ALA HA H 18 4.358 4.119 0.239 1
1 211 . 8 1 1 A 18 18 ALA C C 18 178.239 178.193 0.046 1
1 212 . 8 1 1 A 18 18 ALA CA C 18 52.975 52.360 0.615 1
1 213 . 8 1 1 A 18 18 ALA CB C 18 19.808 19.513 0.295 1
1 214 . 8 1 1 A 18 18 ALA N N 18 123.180 122.376 0.804 1
1 215 . 8 1 1 A 19 19 GLY H H 19 8.241 7.748 0.493 1
1 216 . 8 1 1 A 19 19 GLY HA2 H 19 4.060 3.834 0.226 1
1 217 . 8 1 1 A 19 19 GLY HA3 H 19 4.060 3.845 0.215 1
1 218 . 8 1 1 A 19 19 GLY C C 19 174.390 174.862 -0.472 1
1 219 . 8 1 1 A 19 19 GLY CA C 19 45.570 47.290 -1.720 1
1 220 . 8 1 1 A 19 19 GLY N N 19 107.414 106.960 0.454 1
1 221 . 8 1 1 A 20 20 GLU H H 20 8.501 8.346 0.155 1
1 222 . 8 1 1 A 20 20 GLU HA H 20 4.481 4.231 0.250 1
1 227 . 8 1 1 A 20 20 GLU C C 20 176.860 176.139 0.721 1
1 228 . 8 1 1 A 20 20 GLU CA C 20 56.810 55.669 1.141 1
1 229 . 8 1 1 A 20 20 GLU CB C 20 30.060 28.537 1.523 1
1 231 . 8 1 1 A 20 20 GLU N N 20 120.517 125.354 -4.837 1
1 232 . 8 1 1 A 21 21 THR H H 21 8.251 7.968 0.283 1
1 233 . 8 1 1 A 21 21 THR HA H 21 4.526 3.835 0.691 1
1 238 . 8 1 1 A 21 21 THR C C 21 174.520 173.199 1.321 1
1 239 . 8 1 1 A 21 21 THR CA C 21 61.836 62.786 -0.950 1
1 240 . 8 1 1 A 21 21 THR CB C 21 70.007 66.235 3.772 1
1 242 . 8 1 1 A 21 21 THR N N 21 113.989 109.759 4.230 1
1 243 . 8 1 1 A 22 22 ASP H H 22 8.497 7.628 0.869 1
1 244 . 8 1 1 A 22 22 ASP HA H 22 4.737 4.225 0.512 1
1 247 . 8 1 1 A 22 22 ASP C C 22 176.877 176.757 0.120 1
1 248 . 8 1 1 A 22 22 ASP CA C 22 54.739 55.844 -1.105 1
1 249 . 8 1 1 A 22 22 ASP CB C 22 41.047 40.763 0.284 1
1 250 . 8 1 1 A 22 22 ASP N N 22 122.136 120.951 1.185 1
1 251 . 8 1 1 A 23 23 GLY H H 23 8.499 8.757 -0.258 1
1 252 . 8 1 1 A 23 23 GLY HA2 H 23 4.087 4.067 0.020 1
1 253 . 8 1 1 A 23 23 GLY HA3 H 23 4.087 4.178 -0.091 1
1 254 . 8 1 1 A 23 23 GLY C C 23 174.775 174.937 -0.162 1
1 255 . 8 1 1 A 23 23 GLY CA C 23 45.815 45.407 0.408 1
1 256 . 8 1 1 A 23 23 GLY N N 23 109.353 113.864 -4.511 1
1 257 . 8 1 1 A 24 24 THR H H 24 8.151 8.419 -0.268 1
1 258 . 8 1 1 A 24 24 THR HA H 24 4.345 4.124 0.221 1
1 263 . 8 1 1 A 24 24 THR C C 24 174.220 173.943 0.277 1
1 264 . 8 1 1 A 24 24 THR CA C 24 63.084 63.303 -0.219 1
1 265 . 8 1 1 A 24 24 THR CB C 24 69.889 66.635 3.254 1
1 267 . 8 1 1 A 24 24 THR N N 24 115.906 112.350 3.556 1
1 268 . 8 1 1 A 25 25 ASP H H 25 8.617 8.197 0.420 1
1 269 . 8 1 1 A 25 25 ASP HA H 25 4.726 4.404 0.322 1
1 272 . 8 1 1 A 25 25 ASP C C 25 176.172 175.907 0.265 1
1 273 . 8 1 1 A 25 25 ASP CA C 25 54.459 54.769 -0.310 1
1 274 . 8 1 1 A 25 25 ASP CB C 25 41.038 39.600 1.438 1
1 275 . 8 1 1 A 25 25 ASP N N 25 123.841 121.228 2.613 1
1 276 . 8 1 1 A 26 26 LEU H H 26 8.468 8.740 -0.272 1
1 277 . 8 1 1 A 26 26 LEU HA H 26 4.375 4.453 -0.078 1
1 287 . 8 1 1 A 26 26 LEU C C 26 176.307 175.982 0.325 1
1 288 . 8 1 1 A 26 26 LEU CA C 26 54.128 53.991 0.137 1
1 289 . 8 1 1 A 26 26 LEU CB C 26 41.100 41.775 -0.675 1
1 293 . 8 1 1 A 26 26 LEU N N 26 123.615 126.075 -2.460 1
1 294 . 8 1 1 A 27 27 SER H H 27 8.207 7.578 0.629 1
1 295 . 8 1 1 A 27 27 SER HA H 27 4.303 4.245 0.058 1
1 298 . 8 1 1 A 27 27 SER C C 27 175.019 174.412 0.607 1
1 299 . 8 1 1 A 27 27 SER CA C 27 59.818 60.003 -0.185 1
1 300 . 8 1 1 A 27 27 SER CB C 27 64.198 62.723 1.475 1
1 301 . 8 1 1 A 27 27 SER N N 27 115.102 117.113 -2.011 1
1 302 . 8 1 1 A 28 28 GLY H H 28 8.581 8.624 -0.043 1
1 303 . 8 1 1 A 28 28 GLY HA2 H 28 4.244 4.135 0.109 1
1 304 . 8 1 1 A 28 28 GLY HA3 H 28 3.890 4.136 -0.246 1
1 305 . 8 1 1 A 28 28 GLY C C 28 174.264 172.329 1.935 1
1 306 . 8 1 1 A 28 28 GLY CA C 28 45.393 44.348 1.045 1
1 307 . 8 1 1 A 28 28 GLY N N 28 111.287 114.663 -3.376 1
1 308 . 8 1 1 A 29 29 ASP H H 29 8.680 8.441 0.239 1
1 309 . 8 1 1 A 29 29 ASP HA H 29 4.859 5.160 -0.301 1
1 312 . 8 1 1 A 29 29 ASP C C 29 176.461 176.228 0.233 1
1 313 . 8 1 1 A 29 29 ASP CA C 29 54.284 53.161 1.123 1
1 314 . 8 1 1 A 29 29 ASP CB C 29 39.716 42.469 -2.753 1
1 315 . 8 1 1 A 29 29 ASP N N 29 123.263 123.627 -0.364 1
1 316 . 8 1 1 A 30 30 PHE H H 30 8.064 8.641 -0.577 1
1 317 . 8 1 1 A 30 30 PHE HA H 30 4.766 4.933 -0.167 1
1 325 . 8 1 1 A 30 30 PHE C C 30 175.486 176.458 -0.972 1
1 326 . 8 1 1 A 30 30 PHE CA C 30 57.460 56.814 0.646 1
1 327 . 8 1 1 A 30 30 PHE CB C 30 40.521 39.785 0.736 1
1 333 . 8 1 1 A 30 30 PHE N N 30 122.340 122.287 0.053 1
1 334 . 8 1 1 A 31 31 LEU H H 31 7.535 7.505 0.030 1
1 335 . 8 1 1 A 31 31 LEU HA H 31 3.309 3.586 -0.277 1
1 345 . 8 1 1 A 31 31 LEU C C 31 176.442 177.521 -1.079 1
1 346 . 8 1 1 A 31 31 LEU CA C 31 57.841 57.549 0.292 1
1 347 . 8 1 1 A 31 31 LEU CB C 31 42.121 41.529 0.592 1
1 351 . 8 1 1 A 31 31 LEU N N 31 118.974 122.076 -3.102 1
1 352 . 8 1 1 A 32 32 ASP H H 32 8.081 7.395 0.686 1
1 353 . 8 1 1 A 32 32 ASP HA H 32 5.057 4.619 0.438 1
1 356 . 8 1 1 A 32 32 ASP C C 32 176.035 175.920 0.115 1
1 357 . 8 1 1 A 32 32 ASP CA C 32 53.745 54.486 -0.741 1
1 358 . 8 1 1 A 32 32 ASP CB C 32 41.757 41.681 0.076 1
1 359 . 8 1 1 A 32 32 ASP N N 32 111.858 116.206 -4.348 1
1 360 . 8 1 1 A 33 33 LEU H H 33 7.223 7.206 0.017 1
1 361 . 8 1 1 A 33 33 LEU HA H 33 4.315 4.283 0.032 1
1 371 . 8 1 1 A 33 33 LEU C C 33 174.834 176.238 -1.404 1
1 372 . 8 1 1 A 33 33 LEU CA C 33 54.484 54.455 0.029 1
1 373 . 8 1 1 A 33 33 LEU CB C 33 42.469 42.011 0.458 1
1 377 . 8 1 1 A 33 33 LEU N N 33 122.072 120.863 1.209 1
1 378 . 8 1 1 A 34 34 ARG H H 34 8.486 8.831 -0.345 1
1 379 . 8 1 1 A 34 34 ARG HA H 34 4.746 4.150 0.596 1
1 387 . 8 1 1 A 34 34 ARG C C 34 179.695 177.929 1.766 1
1 388 . 8 1 1 A 34 34 ARG CA C 34 55.460 56.311 -0.851 1
1 389 . 8 1 1 A 34 34 ARG CB C 34 29.981 30.541 -0.560 1
1 393 . 8 1 1 A 34 34 ARG N N 34 116.268 124.165 -7.897 1
1 395 . 8 1 1 A 35 35 PHE H H 35 8.453 8.836 -0.383 1
1 396 . 8 1 1 A 35 35 PHE HA H 35 4.398 4.257 0.141 1
1 404 . 8 1 1 A 35 35 PHE C C 35 178.728 178.011 0.717 1
1 405 . 8 1 1 A 35 35 PHE CA C 35 62.994 60.783 2.211 1
1 406 . 8 1 1 A 35 35 PHE CB C 35 37.964 38.294 -0.330 1
1 412 . 8 1 1 A 35 35 PHE N N 35 123.273 122.100 1.173 1
1 413 . 8 1 1 A 36 36 GLU H H 36 9.540 8.348 1.192 1
1 414 . 8 1 1 A 36 36 GLU HA H 36 4.357 4.057 0.300 1
1 419 . 8 1 1 A 36 36 GLU C C 36 178.636 178.265 0.371 1
1 420 . 8 1 1 A 36 36 GLU CA C 36 59.160 60.064 -0.904 1
1 421 . 8 1 1 A 36 36 GLU CB C 36 29.610 29.367 0.243 1
1 423 . 8 1 1 A 36 36 GLU N N 36 117.074 119.987 -2.913 1
1 424 . 8 1 1 A 37 37 ASP H H 37 7.532 7.800 -0.268 1
1 425 . 8 1 1 A 37 37 ASP HA H 37 4.811 4.413 0.398 1
1 428 . 8 1 1 A 37 37 ASP C C 37 177.974 177.910 0.064 1
1 429 . 8 1 1 A 37 37 ASP CA C 37 56.496 56.519 -0.023 1
1 430 . 8 1 1 A 37 37 ASP CB C 37 41.271 41.031 0.240 1
1 431 . 8 1 1 A 37 37 ASP N N 37 118.229 119.384 -1.155 1
1 432 . 8 1 1 A 38 38 ILE H H 38 7.728 7.593 0.135 1
1 433 . 8 1 1 A 38 38 ILE HA H 38 4.676 4.326 0.350 1
1 443 . 8 1 1 A 38 38 ILE C C 38 176.102 176.314 -0.212 1
1 444 . 8 1 1 A 38 38 ILE CA C 38 61.973 60.651 1.322 1
1 445 . 8 1 1 A 38 38 ILE CB C 38 38.682 37.642 1.040 1
1 449 . 8 1 1 A 38 38 ILE N N 38 112.806 111.526 1.280 1
1 450 . 8 1 1 A 39 39 GLY H H 39 7.735 7.979 -0.244 1
1 451 . 8 1 1 A 39 39 GLY HA2 H 39 4.271 4.028 0.243 1
1 452 . 8 1 1 A 39 39 GLY HA3 H 39 3.898 4.049 -0.151 1
1 453 . 8 1 1 A 39 39 GLY C C 39 174.444 174.078 0.366 1
1 454 . 8 1 1 A 39 39 GLY CA C 39 46.438 46.561 -0.123 1
1 455 . 8 1 1 A 39 39 GLY N N 39 107.120 110.938 -3.818 1
1 456 . 8 1 1 A 40 40 TYR H H 40 8.081 8.256 -0.175 1
1 457 . 8 1 1 A 40 40 TYR HA H 40 4.586 4.815 -0.229 1
1 464 . 8 1 1 A 40 40 TYR C C 40 174.461 174.973 -0.512 1
1 465 . 8 1 1 A 40 40 TYR CA C 40 58.185 57.081 1.104 1
1 466 . 8 1 1 A 40 40 TYR CB C 40 40.424 39.738 0.686 1
1 471 . 8 1 1 A 40 40 TYR N N 40 121.688 118.430 3.258 1
1 472 . 8 1 1 A 41 41 ASP H H 41 8.040 8.915 -0.875 1
1 473 . 8 1 1 A 41 41 ASP HA H 41 4.727 4.885 -0.158 1
1 476 . 8 1 1 A 41 41 ASP C C 41 175.980 177.469 -1.489 1
1 477 . 8 1 1 A 41 41 ASP CA C 41 52.812 53.654 -0.842 1
1 478 . 8 1 1 A 41 41 ASP CB C 41 42.068 41.746 0.322 1
1 479 . 8 1 1 A 41 41 ASP N N 41 124.041 125.214 -1.173 1
1 480 . 8 1 1 A 42 42 SER H H 42 8.561 9.016 -0.455 1
1 481 . 8 1 1 A 42 42 SER HA H 42 4.198 4.069 0.129 1
1 484 . 8 1 1 A 42 42 SER C C 42 176.472 176.661 -0.189 1
1 485 . 8 1 1 A 42 42 SER CA C 42 62.309 62.192 0.117 1
1 486 . 8 1 1 A 42 42 SER CB C 42 62.943 62.521 0.422 1
1 487 . 8 1 1 A 42 42 SER N N 42 114.493 118.270 -3.777 1
1 488 . 8 1 1 A 43 43 LEU H H 43 7.804 8.052 -0.248 1
1 489 . 8 1 1 A 43 43 LEU HA H 43 4.270 4.065 0.205 1
1 499 . 8 1 1 A 43 43 LEU C C 43 179.551 178.337 1.214 1
1 500 . 8 1 1 A 43 43 LEU CA C 43 58.369 57.994 0.375 1
1 501 . 8 1 1 A 43 43 LEU CB C 43 41.057 41.715 -0.658 1
1 505 . 8 1 1 A 43 43 LEU N N 43 122.459 124.468 -2.009 1
1 506 . 8 1 1 A 44 44 ALA H H 44 8.064 8.322 -0.258 1
1 507 . 8 1 1 A 44 44 ALA HA H 44 4.334 4.006 0.328 1
1 511 . 8 1 1 A 44 44 ALA C C 44 181.733 179.993 1.740 1
1 512 . 8 1 1 A 44 44 ALA CA C 44 54.987 55.228 -0.241 1
1 513 . 8 1 1 A 44 44 ALA CB C 44 18.500 18.128 0.372 1
1 514 . 8 1 1 A 44 44 ALA N N 44 123.223 121.146 2.077 1
1 515 . 8 1 1 A 45 45 LEU H H 45 8.422 8.252 0.170 1
1 516 . 8 1 1 A 45 45 LEU HA H 45 3.907 4.074 -0.167 1
1 526 . 8 1 1 A 45 45 LEU C C 45 178.613 178.562 0.051 1
1 527 . 8 1 1 A 45 45 LEU CA C 45 58.419 57.766 0.653 1
1 528 . 8 1 1 A 45 45 LEU CB C 45 41.643 41.409 0.234 1
1 532 . 8 1 1 A 45 45 LEU N N 45 121.714 119.968 1.746 1
1 533 . 8 1 1 A 46 46 MET H H 46 8.344 8.780 -0.436 1
1 534 . 8 1 1 A 46 46 MET HA H 46 4.259 4.049 0.210 1
1 539 . 8 1 1 A 46 46 MET C C 46 179.856 178.482 1.374 1
1 540 . 8 1 1 A 46 46 MET CA C 46 58.769 58.861 -0.092 1
1 541 . 8 1 1 A 46 46 MET CB C 46 32.022 32.859 -0.837 1
1 543 . 8 1 1 A 46 46 MET N N 46 119.039 117.144 1.895 1
1 544 . 8 1 1 A 47 47 GLU H H 47 8.414 8.267 0.147 1
1 545 . 8 1 1 A 47 47 GLU HA H 47 4.257 4.077 0.180 1
1 550 . 8 1 1 A 47 47 GLU C C 47 179.208 179.293 -0.085 1
1 551 . 8 1 1 A 47 47 GLU CA C 47 59.504 59.280 0.224 1
1 552 . 8 1 1 A 47 47 GLU CB C 47 29.229 29.205 0.024 1
1 554 . 8 1 1 A 47 47 GLU N N 47 121.231 120.480 0.751 1
1 555 . 8 1 1 A 48 48 THR H H 48 8.329 7.762 0.567 1
1 556 . 8 1 1 A 48 48 THR HA H 48 3.962 3.914 0.048 1
1 561 . 8 1 1 A 48 48 THR C C 48 176.334 176.503 -0.169 1
1 562 . 8 1 1 A 48 48 THR CA C 48 67.882 66.638 1.244 1
1 563 . 8 1 1 A 48 48 THR CB C 48 68.478 68.784 -0.306 1
1 565 . 8 1 1 A 48 48 THR N N 48 118.600 116.934 1.666 1
1 566 . 8 1 1 A 49 49 ALA H H 49 8.756 8.375 0.381 1
1 567 . 8 1 1 A 49 49 ALA HA H 49 3.963 3.962 0.001 1
1 571 . 8 1 1 A 49 49 ALA C C 49 178.615 179.383 -0.768 1
1 572 . 8 1 1 A 49 49 ALA CA C 49 56.227 55.411 0.816 1
1 573 . 8 1 1 A 49 49 ALA CB C 49 17.499 17.953 -0.454 1
1 574 . 8 1 1 A 49 49 ALA N N 49 123.599 123.062 0.537 1
1 575 . 8 1 1 A 50 50 ALA H H 50 8.191 8.467 -0.276 1
1 576 . 8 1 1 A 50 50 ALA HA H 50 4.281 4.396 -0.115 1
1 580 . 8 1 1 A 50 50 ALA C C 50 181.272 180.287 0.985 1
1 581 . 8 1 1 A 50 50 ALA CA C 50 55.488 55.200 0.288 1
1 582 . 8 1 1 A 50 50 ALA CB C 50 18.107 18.585 -0.478 1
1 583 . 8 1 1 A 50 50 ALA N N 50 119.558 120.191 -0.633 1
1 584 . 8 1 1 A 51 51 ARG H H 51 8.146 7.833 0.313 1
1 585 . 8 1 1 A 51 51 ARG HA H 51 4.257 4.027 0.230 1
1 593 . 8 1 1 A 51 51 ARG C C 51 179.815 178.606 1.209 1
1 594 . 8 1 1 A 51 51 ARG CA C 51 59.591 59.165 0.426 1
1 595 . 8 1 1 A 51 51 ARG CB C 51 30.400 30.054 0.346 1
1 599 . 8 1 1 A 51 51 ARG N N 51 119.722 118.731 0.991 1
1 601 . 8 1 1 A 52 52 LEU H H 52 8.432 8.079 0.353 1
1 602 . 8 1 1 A 52 52 LEU HA H 52 4.330 4.236 0.094 1
1 612 . 8 1 1 A 52 52 LEU C C 52 179.152 179.188 -0.036 1
1 613 . 8 1 1 A 52 52 LEU CA C 52 58.139 58.159 -0.020 1
1 614 . 8 1 1 A 52 52 LEU CB C 52 42.615 41.075 1.540 1
1 618 . 8 1 1 A 52 52 LEU N N 52 120.470 119.851 0.619 1
1 619 . 8 1 1 A 53 53 GLU H H 53 8.989 8.801 0.188 1
1 620 . 8 1 1 A 53 53 GLU HA H 53 4.105 3.996 0.109 1
1 625 . 8 1 1 A 53 53 GLU C C 53 179.370 179.059 0.311 1
1 626 . 8 1 1 A 53 53 GLU CA C 53 60.145 60.056 0.089 1
1 627 . 8 1 1 A 53 53 GLU CB C 53 29.184 29.273 -0.089 1
1 629 . 8 1 1 A 53 53 GLU N N 53 119.668 118.439 1.229 1
1 630 . 8 1 1 A 54 54 SER H H 54 8.028 8.227 -0.199 1
1 631 . 8 1 1 A 54 54 SER HA H 54 4.392 4.150 0.242 1
1 634 . 8 1 1 A 54 54 SER C C 54 176.891 176.096 0.795 1
1 635 . 8 1 1 A 54 54 SER CA C 54 61.162 61.738 -0.576 1
1 636 . 8 1 1 A 54 54 SER CB C 54 63.222 62.831 0.391 1
1 637 . 8 1 1 A 54 54 SER N N 54 112.842 117.241 -4.399 1
1 638 . 8 1 1 A 55 55 ARG H H 55 8.070 7.882 0.188 1
1 639 . 8 1 1 A 55 55 ARG HA H 55 4.111 3.954 0.157 1
1 647 . 8 1 1 A 55 55 ARG C C 55 177.830 177.518 0.312 1
1 648 . 8 1 1 A 55 55 ARG CA C 55 58.824 59.012 -0.188 1
1 649 . 8 1 1 A 55 55 ARG CB C 55 30.829 29.824 1.005 1
1 653 . 8 1 1 A 55 55 ARG N N 55 120.550 121.529 -0.979 1
1 655 . 8 1 1 A 56 56 TYR H H 56 8.171 7.899 0.272 1
1 656 . 8 1 1 A 56 56 TYR HA H 56 4.685 4.623 0.062 1
1 663 . 8 1 1 A 56 56 TYR C C 56 176.027 175.696 0.331 1
1 664 . 8 1 1 A 56 56 TYR CA C 56 59.110 57.807 1.303 1
1 665 . 8 1 1 A 56 56 TYR CB C 56 39.339 38.789 0.550 1
1 670 . 8 1 1 A 56 56 TYR N N 56 113.561 115.159 -1.598 1
1 671 . 8 1 1 A 57 57 GLY H H 57 7.998 7.762 0.236 1
1 672 . 8 1 1 A 57 57 GLY HA2 H 57 4.105 3.970 0.135 1
1 673 . 8 1 1 A 57 57 GLY HA3 H 57 4.105 3.977 0.128 1
1 674 . 8 1 1 A 57 57 GLY C C 57 174.600 173.618 0.982 1
1 675 . 8 1 1 A 57 57 GLY CA C 57 47.349 47.165 0.184 1
1 676 . 8 1 1 A 57 57 GLY N N 57 109.470 110.019 -0.549 1
1 677 . 8 1 1 A 58 58 VAL H H 58 7.515 7.858 -0.343 1
1 678 . 8 1 1 A 58 58 VAL HA H 58 4.694 4.817 -0.123 1
1 686 . 8 1 1 A 58 58 VAL C C 58 174.016 173.411 0.605 1
1 687 . 8 1 1 A 58 58 VAL CA C 58 59.282 59.463 -0.181 1
1 688 . 8 1 1 A 58 58 VAL CB C 58 34.791 35.509 -0.718 1
1 691 . 8 1 1 A 58 58 VAL N N 58 112.406 119.005 -6.599 1
1 692 . 8 1 1 A 59 59 SER H H 59 8.489 8.756 -0.267 1
1 693 . 8 1 1 A 59 59 SER HA H 59 4.847 5.575 -0.728 1
1 696 . 8 1 1 A 59 59 SER C C 59 173.643 173.416 0.227 1
1 697 . 8 1 1 A 59 59 SER CA C 59 57.213 57.328 -0.115 1
1 698 . 8 1 1 A 59 59 SER CB C 59 64.285 66.287 -2.002 1
1 699 . 8 1 1 A 59 59 SER N N 59 116.724 119.506 -2.782 1
1 700 . 8 1 1 A 60 60 ILE H H 60 8.224 9.626 -1.402 1
1 701 . 8 1 1 A 60 60 ILE HA H 60 4.676 4.660 0.016 1
1 711 . 8 1 1 A 60 60 ILE CA C 60 57.702 57.623 0.079 1
1 712 . 8 1 1 A 60 60 ILE CB C 60 40.520 41.443 -0.923 1
1 716 . 8 1 1 A 60 60 ILE N N 60 125.582 124.270 1.312 1
1 717 . 8 1 1 A 61 61 PRO HA H 61 4.543 4.614 -0.071 1
1 724 . 8 1 1 A 61 61 PRO C C 61 177.547 177.181 0.366 1
1 725 . 8 1 1 A 61 61 PRO CA C 61 63.523 63.082 0.441 1
1 726 . 8 1 1 A 61 61 PRO CB C 61 32.704 31.547 1.157 1
1 729 . 8 1 1 A 62 62 ASP H H 62 8.857 8.812 0.045 1
1 730 . 8 1 1 A 62 62 ASP HA H 62 4.447 4.292 0.155 1
1 733 . 8 1 1 A 62 62 ASP C C 62 177.504 178.025 -0.521 1
1 734 . 8 1 1 A 62 62 ASP CA C 62 57.105 56.929 0.176 1
1 735 . 8 1 1 A 62 62 ASP CB C 62 40.668 39.759 0.909 1
1 736 . 8 1 1 A 62 62 ASP N N 62 123.624 125.044 -1.420 1
1 737 . 8 1 1 A 63 63 ASP H H 63 8.691 8.159 0.532 1
1 738 . 8 1 1 A 63 63 ASP HA H 63 4.508 4.406 0.102 1
1 741 . 8 1 1 A 63 63 ASP C C 63 177.468 178.391 -0.923 1
1 742 . 8 1 1 A 63 63 ASP CA C 63 55.267 57.161 -1.894 1
1 743 . 8 1 1 A 63 63 ASP CB C 63 39.691 41.105 -1.414 1
1 744 . 8 1 1 A 63 63 ASP N N 63 116.744 120.308 -3.564 1
1 745 . 8 1 1 A 64 64 VAL H H 64 7.388 7.648 -0.260 1
1 746 . 8 1 1 A 64 64 VAL HA H 64 3.789 3.619 0.170 1
1 754 . 8 1 1 A 64 64 VAL C C 64 177.793 177.956 -0.163 1
1 755 . 8 1 1 A 64 64 VAL CA C 64 65.251 66.361 -1.110 1
1 756 . 8 1 1 A 64 64 VAL CB C 64 32.347 31.454 0.893 1
1 759 . 8 1 1 A 64 64 VAL N N 64 119.303 119.452 -0.149 1
1 760 . 8 1 1 A 65 65 ALA H H 65 8.212 8.437 -0.225 1
1 761 . 8 1 1 A 65 65 ALA HA H 65 3.967 4.069 -0.102 1
1 765 . 8 1 1 A 65 65 ALA C C 65 178.005 178.947 -0.942 1
1 766 . 8 1 1 A 65 65 ALA CA C 65 55.196 55.146 0.050 1
1 767 . 8 1 1 A 65 65 ALA CB C 65 18.373 18.507 -0.134 1
1 768 . 8 1 1 A 65 65 ALA N N 65 122.060 121.758 0.302 1
1 769 . 8 1 1 A 66 66 GLY H H 66 7.995 8.219 -0.224 1
1 770 . 8 1 1 A 66 66 GLY HA2 H 66 4.133 3.995 0.138 1
1 771 . 8 1 1 A 66 66 GLY HA3 H 66 3.912 3.998 -0.086 1
1 772 . 8 1 1 A 66 66 GLY C C 66 174.615 174.797 -0.182 1
1 773 . 8 1 1 A 66 66 GLY CA C 66 45.925 45.396 0.529 1
1 774 . 8 1 1 A 66 66 GLY N N 66 99.445 105.434 -5.989 1
1 775 . 8 1 1 A 67 67 ARG H H 67 7.478 7.966 -0.488 1
1 776 . 8 1 1 A 67 67 ARG HA H 67 4.659 4.400 0.259 1
1 784 . 8 1 1 A 67 67 ARG C C 67 176.470 176.099 0.371 1
1 785 . 8 1 1 A 67 67 ARG CA C 67 55.647 57.537 -1.890 1
1 786 . 8 1 1 A 67 67 ARG CB C 67 31.843 30.852 0.991 1
1 790 . 8 1 1 A 67 67 ARG N N 67 116.761 119.653 -2.892 1
1 792 . 8 1 1 A 68 68 VAL H H 68 7.244 7.182 0.062 1
1 793 . 8 1 1 A 68 68 VAL HA H 68 4.437 4.195 0.242 1
1 801 . 8 1 1 A 68 68 VAL C C 68 175.250 175.777 -0.527 1
1 802 . 8 1 1 A 68 68 VAL CA C 68 61.919 61.699 0.220 1
1 803 . 8 1 1 A 68 68 VAL CB C 68 33.329 31.303 2.026 1
1 806 . 8 1 1 A 68 68 VAL N N 68 114.725 114.565 0.160 1
1 807 . 8 1 1 A 69 69 ASP H H 69 9.180 9.156 0.024 1
1 808 . 8 1 1 A 69 69 ASP HA H 69 5.272 4.880 0.392 1
1 811 . 8 1 1 A 69 69 ASP C C 69 177.035 175.940 1.095 1
1 812 . 8 1 1 A 69 69 ASP CA C 69 55.862 55.789 0.073 1
1 813 . 8 1 1 A 69 69 ASP CB C 69 44.421 42.353 2.068 1
1 814 . 8 1 1 A 69 69 ASP N N 69 120.929 126.666 -5.737 1
1 815 . 8 1 1 A 70 70 THR H H 70 7.490 7.401 0.089 1
1 816 . 8 1 1 A 70 70 THR HA H 70 4.969 4.264 0.705 1
1 821 . 8 1 1 A 70 70 THR CA C 70 57.776 58.062 -0.286 1
1 822 . 8 1 1 A 70 70 THR CB C 70 71.416 70.042 1.374 1
1 824 . 8 1 1 A 70 70 THR N N 70 107.879 108.180 -0.301 1
1 825 . 8 1 1 A 71 71 PRO HA H 71 4.247 4.123 0.124 1
1 832 . 8 1 1 A 71 71 PRO C C 71 177.413 177.995 -0.582 1
1 833 . 8 1 1 A 71 71 PRO CA C 71 65.812 65.268 0.544 1
1 834 . 8 1 1 A 71 71 PRO CB C 71 32.647 31.334 1.313 1
1 837 . 8 1 1 A 72 72 ARG H H 72 9.000 8.240 0.760 1
1 838 . 8 1 1 A 72 72 ARG HA H 72 3.619 3.965 -0.346 1
1 850 . 8 1 1 A 72 72 ARG C C 72 177.530 178.733 -1.203 1
1 851 . 8 1 1 A 72 72 ARG CA C 72 60.211 58.944 1.267 1
1 852 . 8 1 1 A 72 72 ARG CB C 72 30.433 29.839 0.594 1
1 856 . 8 1 1 A 72 72 ARG N N 72 117.747 116.644 1.103 1
1 860 . 8 1 1 A 73 73 GLU H H 73 7.840 7.739 0.101 1
1 861 . 8 1 1 A 73 73 GLU HA H 73 4.245 4.029 0.216 1
1 866 . 8 1 1 A 73 73 GLU C C 73 180.139 179.140 0.999 1
1 867 . 8 1 1 A 73 73 GLU CA C 73 59.071 58.730 0.341 1
1 868 . 8 1 1 A 73 73 GLU CB C 73 30.230 29.471 0.759 1
1 870 . 8 1 1 A 73 73 GLU N N 73 116.639 119.285 -2.646 1
1 871 . 8 1 1 A 74 74 LEU H H 74 7.693 7.678 0.015 1
1 872 . 8 1 1 A 74 74 LEU HA H 74 4.324 4.081 0.243 1
1 882 . 8 1 1 A 74 74 LEU C C 74 177.000 178.128 -1.128 1
1 883 . 8 1 1 A 74 74 LEU CA C 74 58.123 58.094 0.029 1
1 884 . 8 1 1 A 74 74 LEU CB C 74 42.242 41.601 0.641 1
1 888 . 8 1 1 A 74 74 LEU N N 74 120.218 121.858 -1.640 1
1 889 . 8 1 1 A 75 75 LEU H H 75 8.731 8.218 0.513 1
1 890 . 8 1 1 A 75 75 LEU HA H 75 3.904 3.940 -0.036 1
1 900 . 8 1 1 A 75 75 LEU C C 75 178.122 177.864 0.258 1
1 901 . 8 1 1 A 75 75 LEU CA C 75 58.462 58.200 0.262 1
1 902 . 8 1 1 A 75 75 LEU CB C 75 42.400 41.029 1.371 1
1 906 . 8 1 1 A 75 75 LEU N N 75 121.211 119.661 1.550 1
1 907 . 8 1 1 A 76 76 ASP H H 76 8.703 8.271 0.432 1
1 908 . 8 1 1 A 76 76 ASP HA H 76 4.497 4.257 0.240 1
1 911 . 8 1 1 A 76 76 ASP C C 76 180.101 178.156 1.945 1
1 912 . 8 1 1 A 76 76 ASP CA C 76 57.325 57.851 -0.526 1
1 913 . 8 1 1 A 76 76 ASP CB C 76 39.936 41.782 -1.846 1
1 914 . 8 1 1 A 76 76 ASP N N 76 117.466 118.822 -1.356 1
1 915 . 8 1 1 A 77 77 LEU H H 77 8.019 8.137 -0.118 1
1 916 . 8 1 1 A 77 77 LEU HA H 77 4.282 4.012 0.270 1
1 926 . 8 1 1 A 77 77 LEU C C 77 179.840 178.256 1.584 1
1 927 . 8 1 1 A 77 77 LEU CA C 77 58.417 58.603 -0.186 1
1 928 . 8 1 1 A 77 77 LEU CB C 77 42.856 41.784 1.072 1
1 932 . 8 1 1 A 77 77 LEU N N 77 122.891 120.173 2.718 1
1 933 . 8 1 1 A 78 78 ILE H H 78 8.281 8.227 0.054 1
1 934 . 8 1 1 A 78 78 ILE HA H 78 3.756 3.600 0.156 1
1 944 . 8 1 1 A 78 78 ILE C C 78 177.655 178.457 -0.802 1
1 945 . 8 1 1 A 78 78 ILE CA C 78 64.638 64.760 -0.122 1
1 946 . 8 1 1 A 78 78 ILE CB C 78 37.325 36.742 0.583 1
1 950 . 8 1 1 A 78 78 ILE N N 78 119.758 119.315 0.443 1
1 951 . 8 1 1 A 79 79 ASN H H 79 8.880 8.885 -0.005 1
1 952 . 8 1 1 A 79 79 ASN HA H 79 4.918 4.389 0.529 1
1 957 . 8 1 1 A 79 79 ASN C C 79 179.481 179.109 0.372 1
1 958 . 8 1 1 A 79 79 ASN CA C 79 55.446 56.246 -0.800 1
1 959 . 8 1 1 A 79 79 ASN CB C 79 37.299 37.700 -0.401 1
1 960 . 8 1 1 A 79 79 ASN N N 79 117.848 120.029 -2.181 1
1 962 . 8 1 1 A 80 80 GLY H H 80 8.441 8.296 0.145 1
1 963 . 8 1 1 A 80 80 GLY HA2 H 80 4.036 3.813 0.223 1
1 964 . 8 1 1 A 80 80 GLY HA3 H 80 4.036 3.815 0.221 1
1 965 . 8 1 1 A 80 80 GLY C C 80 175.746 176.249 -0.503 1
1 966 . 8 1 1 A 80 80 GLY CA C 80 47.065 46.970 0.095 1
1 967 . 8 1 1 A 80 80 GLY N N 80 110.120 108.720 1.400 1
1 968 . 8 1 1 A 81 81 ALA H H 81 7.604 7.953 -0.349 1
1 969 . 8 1 1 A 81 81 ALA HA H 81 4.467 3.987 0.480 1
1 973 . 8 1 1 A 81 81 ALA C C 81 180.565 180.417 0.148 1
1 974 . 8 1 1 A 81 81 ALA CA C 81 54.298 54.554 -0.256 1
1 975 . 8 1 1 A 81 81 ALA CB C 81 18.530 18.335 0.195 1
1 976 . 8 1 1 A 81 81 ALA N N 81 124.070 125.168 -1.098 1
1 977 . 8 1 1 A 82 82 LEU H H 82 8.299 8.671 -0.372 1
1 978 . 8 1 1 A 82 82 LEU HA H 82 4.219 4.011 0.208 1
1 988 . 8 1 1 A 82 82 LEU C C 82 178.837 179.453 -0.616 1
1 989 . 8 1 1 A 82 82 LEU CA C 82 56.967 57.672 -0.705 1
1 990 . 8 1 1 A 82 82 LEU CB C 82 42.610 40.917 1.693 1
1 994 . 8 1 1 A 82 82 LEU N N 82 119.823 119.983 -0.160 1
1 995 . 8 1 1 A 83 83 ALA H H 83 7.964 7.486 0.478 1
1 996 . 8 1 1 A 83 83 ALA HA H 83 4.298 4.121 0.177 1
1 1000 . 8 1 1 A 83 83 ALA C C 83 178.739 177.736 1.003 1
1 1001 . 8 1 1 A 83 83 ALA CA C 83 53.965 54.110 -0.145 1
1 1002 . 8 1 1 A 83 83 ALA CB C 83 18.917 18.381 0.536 1
1 1003 . 8 1 1 A 83 83 ALA N N 83 121.306 120.730 0.576 1
1 1004 . 8 1 1 A 84 84 GLU H H 84 7.746 7.807 -0.061 1
1 1005 . 8 1 1 A 84 84 GLU HA H 84 4.396 4.484 -0.088 1
1 1010 . 8 1 1 A 84 84 GLU C C 84 176.347 176.004 0.343 1
1 1011 . 8 1 1 A 84 84 GLU CA C 84 56.739 55.579 1.160 1
1 1012 . 8 1 1 A 84 84 GLU CB C 84 30.126 29.963 0.163 1
1 1014 . 8 1 1 A 84 84 GLU N N 84 117.080 113.742 3.338 1
1 1015 . 8 1 1 A 85 85 ALA H H 85 7.832 7.260 0.572 1
1 1016 . 8 1 1 A 85 85 ALA HA H 85 4.485 4.290 0.195 1
1 1020 . 8 1 1 A 85 85 ALA C C 85 176.564 176.527 0.037 1
1 1021 . 8 1 1 A 85 85 ALA CA C 85 52.485 52.045 0.440 1
1 1022 . 8 1 1 A 85 85 ALA CB C 85 19.529 19.333 0.196 1
1 1023 . 8 1 1 A 85 85 ALA N N 85 124.010 122.849 1.161 1
1 1 . 9 1 1 A 2 2 ALA HA H 2 4.297 4.463 -0.166 1
1 5 . 9 1 1 A 2 2 ALA C C 2 173.708 177.423 -3.715 1
1 6 . 9 1 1 A 2 2 ALA CA C 2 51.945 52.200 -0.255 1
1 7 . 9 1 1 A 2 2 ALA CB C 2 19.979 19.699 0.280 1
1 8 . 9 1 1 A 3 3 THR H H 3 8.680 8.980 -0.300 1
1 9 . 9 1 1 A 3 3 THR HA H 3 4.411 4.556 -0.145 1
1 14 . 9 1 1 A 3 3 THR C C 3 172.914 174.136 -1.222 1
1 15 . 9 1 1 A 3 3 THR CA C 3 62.665 62.746 -0.081 1
1 16 . 9 1 1 A 3 3 THR CB C 3 69.902 69.644 0.258 1
1 18 . 9 1 1 A 3 3 THR N N 3 117.458 119.159 -1.701 1
1 19 . 9 1 1 A 4 4 LEU H H 4 8.145 8.599 -0.454 1
1 20 . 9 1 1 A 4 4 LEU HA H 4 4.384 4.254 0.130 1
1 30 . 9 1 1 A 4 4 LEU C C 4 177.176 176.345 0.831 1
1 31 . 9 1 1 A 4 4 LEU CA C 4 54.765 55.559 -0.794 1
1 32 . 9 1 1 A 4 4 LEU CB C 4 42.790 43.081 -0.291 1
1 36 . 9 1 1 A 4 4 LEU N N 4 124.380 130.053 -5.673 1
1 37 . 9 1 1 A 5 5 LEU H H 5 9.419 8.247 1.172 1
1 38 . 9 1 1 A 5 5 LEU HA H 5 4.536 4.930 -0.394 1
1 48 . 9 1 1 A 5 5 LEU C C 5 177.849 176.715 1.134 1
1 49 . 9 1 1 A 5 5 LEU CA C 5 55.488 53.344 2.144 1
1 50 . 9 1 1 A 5 5 LEU CB C 5 42.700 43.312 -0.612 1
1 54 . 9 1 1 A 5 5 LEU N N 5 124.415 126.452 -2.037 1
1 55 . 9 1 1 A 6 6 THR H H 6 8.995 8.747 0.248 1
1 56 . 9 1 1 A 6 6 THR HA H 6 4.783 4.759 0.024 1
1 61 . 9 1 1 A 6 6 THR C C 6 175.943 176.299 -0.356 1
1 62 . 9 1 1 A 6 6 THR CA C 6 59.961 59.986 -0.025 1
1 63 . 9 1 1 A 6 6 THR CB C 6 72.429 70.885 1.544 1
1 65 . 9 1 1 A 6 6 THR N N 6 114.757 115.758 -1.001 1
1 66 . 9 1 1 A 7 7 THR H H 7 8.851 8.863 -0.012 1
1 67 . 9 1 1 A 7 7 THR HA H 7 3.881 3.889 -0.008 1
1 72 . 9 1 1 A 7 7 THR C C 7 176.566 175.936 0.630 1
1 73 . 9 1 1 A 7 7 THR CA C 7 67.277 67.104 0.173 1
1 74 . 9 1 1 A 7 7 THR CB C 7 68.542 68.777 -0.235 1
1 76 . 9 1 1 A 7 7 THR N N 7 115.540 116.763 -1.223 1
1 77 . 9 1 1 A 8 8 ASP H H 8 8.279 8.331 -0.052 1
1 78 . 9 1 1 A 8 8 ASP HA H 8 4.638 4.407 0.231 1
1 81 . 9 1 1 A 8 8 ASP C C 8 178.553 178.304 0.249 1
1 82 . 9 1 1 A 8 8 ASP CA C 8 57.738 57.925 -0.187 1
1 83 . 9 1 1 A 8 8 ASP CB C 8 41.219 40.905 0.314 1
1 84 . 9 1 1 A 8 8 ASP N N 8 119.967 121.391 -1.424 1
1 85 . 9 1 1 A 9 9 ASP H H 9 7.905 7.821 0.084 1
1 86 . 9 1 1 A 9 9 ASP HA H 9 4.573 4.545 0.028 1
1 89 . 9 1 1 A 9 9 ASP C C 9 179.411 178.922 0.489 1
1 90 . 9 1 1 A 9 9 ASP CA C 9 57.667 57.542 0.125 1
1 91 . 9 1 1 A 9 9 ASP CB C 9 41.453 40.412 1.041 1
1 92 . 9 1 1 A 9 9 ASP N N 9 120.222 118.556 1.666 1
1 93 . 9 1 1 A 10 10 LEU H H 10 8.097 8.029 0.068 1
1 94 . 9 1 1 A 10 10 LEU HA H 10 4.225 4.147 0.078 1
1 104 . 9 1 1 A 10 10 LEU C C 10 177.475 178.544 -1.069 1
1 105 . 9 1 1 A 10 10 LEU CA C 10 57.959 58.188 -0.229 1
1 106 . 9 1 1 A 10 10 LEU CB C 10 42.013 41.800 0.213 1
1 110 . 9 1 1 A 10 10 LEU N N 10 121.315 120.798 0.517 1
1 111 . 9 1 1 A 11 11 ARG H H 11 8.841 8.949 -0.108 1
1 112 . 9 1 1 A 11 11 ARG HA H 11 3.524 4.081 -0.557 1
1 120 . 9 1 1 A 11 11 ARG C C 11 177.728 178.673 -0.945 1
1 121 . 9 1 1 A 11 11 ARG CA C 11 60.662 59.809 0.853 1
1 122 . 9 1 1 A 11 11 ARG CB C 11 30.618 30.096 0.522 1
1 126 . 9 1 1 A 11 11 ARG N N 11 119.774 119.729 0.045 1
1 128 . 9 1 1 A 12 12 ARG H H 12 7.988 8.168 -0.180 1
1 129 . 9 1 1 A 12 12 ARG HA H 12 4.041 4.066 -0.025 1
1 137 . 9 1 1 A 12 12 ARG C C 12 178.452 178.187 0.265 1
1 138 . 9 1 1 A 12 12 ARG CA C 12 59.748 59.433 0.315 1
1 139 . 9 1 1 A 12 12 ARG CB C 12 30.414 30.221 0.193 1
1 143 . 9 1 1 A 12 12 ARG N N 12 115.529 119.624 -4.095 1
1 145 . 9 1 1 A 13 13 ALA H H 13 7.722 7.686 0.036 1
1 146 . 9 1 1 A 13 13 ALA HA H 13 4.412 4.145 0.267 1
1 150 . 9 1 1 A 13 13 ALA C C 13 180.069 180.179 -0.110 1
1 151 . 9 1 1 A 13 13 ALA CA C 13 54.990 55.075 -0.085 1
1 152 . 9 1 1 A 13 13 ALA CB C 13 18.654 18.218 0.436 1
1 153 . 9 1 1 A 13 13 ALA N N 13 119.900 121.061 -1.161 1
1 154 . 9 1 1 A 14 14 LEU H H 14 8.419 8.019 0.400 1
1 155 . 9 1 1 A 14 14 LEU HA H 14 4.418 3.945 0.473 1
1 165 . 9 1 1 A 14 14 LEU C C 14 180.574 179.074 1.500 1
1 166 . 9 1 1 A 14 14 LEU CA C 14 57.488 58.046 -0.558 1
1 167 . 9 1 1 A 14 14 LEU CB C 14 42.008 42.395 -0.387 1
1 171 . 9 1 1 A 14 14 LEU N N 14 119.013 117.906 1.107 1
1 172 . 9 1 1 A 15 15 VAL H H 15 8.501 8.439 0.062 1
1 173 . 9 1 1 A 15 15 VAL HA H 15 3.929 3.497 0.432 1
1 181 . 9 1 1 A 15 15 VAL C C 15 178.956 177.729 1.227 1
1 182 . 9 1 1 A 15 15 VAL CA C 15 66.056 66.916 -0.860 1
1 183 . 9 1 1 A 15 15 VAL CB C 15 32.053 31.495 0.558 1
1 186 . 9 1 1 A 15 15 VAL N N 15 120.534 118.094 2.440 1
1 187 . 9 1 1 A 16 16 GLU H H 16 8.238 8.845 -0.607 1
1 188 . 9 1 1 A 16 16 GLU HA H 16 4.216 3.934 0.282 1
1 193 . 9 1 1 A 16 16 GLU C C 16 178.530 179.533 -1.003 1
1 194 . 9 1 1 A 16 16 GLU CA C 16 58.963 59.735 -0.772 1
1 195 . 9 1 1 A 16 16 GLU CB C 16 29.866 29.249 0.617 1
1 197 . 9 1 1 A 16 16 GLU N N 16 119.771 119.418 0.353 1
1 198 . 9 1 1 A 17 17 SER H H 17 7.808 8.086 -0.278 1
1 199 . 9 1 1 A 17 17 SER HA H 17 4.581 4.248 0.333 1
1 202 . 9 1 1 A 17 17 SER C C 17 174.239 176.060 -1.821 1
1 203 . 9 1 1 A 17 17 SER CA C 17 59.839 61.568 -1.729 1
1 204 . 9 1 1 A 17 17 SER CB C 17 64.127 63.310 0.817 1
1 205 . 9 1 1 A 17 17 SER N N 17 113.608 116.479 -2.871 1
1 206 . 9 1 1 A 18 18 ALA H H 18 7.809 7.805 0.004 1
1 207 . 9 1 1 A 18 18 ALA HA H 18 4.358 4.165 0.193 1
1 211 . 9 1 1 A 18 18 ALA C C 18 178.239 177.711 0.528 1
1 212 . 9 1 1 A 18 18 ALA CA C 18 52.975 52.362 0.613 1
1 213 . 9 1 1 A 18 18 ALA CB C 18 19.808 19.402 0.406 1
1 214 . 9 1 1 A 18 18 ALA N N 18 123.180 120.965 2.215 1
1 215 . 9 1 1 A 19 19 GLY H H 19 8.241 7.566 0.675 1
1 216 . 9 1 1 A 19 19 GLY HA2 H 19 4.060 4.054 0.006 1
1 217 . 9 1 1 A 19 19 GLY HA3 H 19 4.060 4.064 -0.004 1
1 218 . 9 1 1 A 19 19 GLY C C 19 174.390 174.207 0.183 1
1 219 . 9 1 1 A 19 19 GLY CA C 19 45.570 45.025 0.545 1
1 220 . 9 1 1 A 19 19 GLY N N 19 107.414 106.064 1.350 1
1 221 . 9 1 1 A 20 20 GLU H H 20 8.501 8.979 -0.478 1
1 222 . 9 1 1 A 20 20 GLU HA H 20 4.481 4.129 0.352 1
1 227 . 9 1 1 A 20 20 GLU C C 20 176.860 178.025 -1.165 1
1 228 . 9 1 1 A 20 20 GLU CA C 20 56.810 58.448 -1.638 1
1 229 . 9 1 1 A 20 20 GLU CB C 20 30.060 29.033 1.027 1
1 231 . 9 1 1 A 20 20 GLU N N 20 120.517 122.579 -2.062 1
1 232 . 9 1 1 A 21 21 THR H H 21 8.251 7.759 0.492 1
1 233 . 9 1 1 A 21 21 THR HA H 21 4.526 4.053 0.473 1
1 238 . 9 1 1 A 21 21 THR C C 21 174.520 173.601 0.919 1
1 239 . 9 1 1 A 21 21 THR CA C 21 61.836 65.143 -3.307 1
1 240 . 9 1 1 A 21 21 THR CB C 21 70.007 70.011 -0.004 1
1 242 . 9 1 1 A 21 21 THR N N 21 113.989 114.664 -0.675 1
1 243 . 9 1 1 A 22 22 ASP H H 22 8.497 7.485 1.012 1
1 244 . 9 1 1 A 22 22 ASP HA H 22 4.737 5.060 -0.323 1
1 247 . 9 1 1 A 22 22 ASP C C 22 176.877 176.035 0.842 1
1 248 . 9 1 1 A 22 22 ASP CA C 22 54.739 53.212 1.527 1
1 249 . 9 1 1 A 22 22 ASP CB C 22 41.047 44.270 -3.223 1
1 250 . 9 1 1 A 22 22 ASP N N 22 122.136 118.156 3.980 1
1 251 . 9 1 1 A 23 23 GLY H H 23 8.499 8.964 -0.465 1
1 252 . 9 1 1 A 23 23 GLY HA2 H 23 4.087 3.942 0.145 1
1 253 . 9 1 1 A 23 23 GLY HA3 H 23 4.087 3.946 0.141 1
1 254 . 9 1 1 A 23 23 GLY C C 23 174.775 174.230 0.545 1
1 255 . 9 1 1 A 23 23 GLY CA C 23 45.815 46.496 -0.681 1
1 256 . 9 1 1 A 23 23 GLY N N 23 109.353 112.748 -3.395 1
1 257 . 9 1 1 A 24 24 THR H H 24 8.151 7.985 0.166 1
1 258 . 9 1 1 A 24 24 THR HA H 24 4.345 3.998 0.347 1
1 263 . 9 1 1 A 24 24 THR C C 24 174.220 174.033 0.187 1
1 264 . 9 1 1 A 24 24 THR CA C 24 63.084 64.478 -1.394 1
1 265 . 9 1 1 A 24 24 THR CB C 24 69.889 67.544 2.345 1
1 267 . 9 1 1 A 24 24 THR N N 24 115.906 108.308 7.598 1
1 268 . 9 1 1 A 25 25 ASP H H 25 8.617 8.651 -0.034 1
1 269 . 9 1 1 A 25 25 ASP HA H 25 4.726 4.897 -0.171 1
1 272 . 9 1 1 A 25 25 ASP C C 25 176.172 176.465 -0.293 1
1 273 . 9 1 1 A 25 25 ASP CA C 25 54.459 53.586 0.873 1
1 274 . 9 1 1 A 25 25 ASP CB C 25 41.038 41.383 -0.345 1
1 275 . 9 1 1 A 25 25 ASP N N 25 123.841 126.121 -2.280 1
1 276 . 9 1 1 A 26 26 LEU H H 26 8.468 7.777 0.691 1
1 277 . 9 1 1 A 26 26 LEU HA H 26 4.375 3.983 0.392 1
1 287 . 9 1 1 A 26 26 LEU C C 26 176.307 176.529 -0.222 1
1 288 . 9 1 1 A 26 26 LEU CA C 26 54.128 54.385 -0.257 1
1 289 . 9 1 1 A 26 26 LEU CB C 26 41.100 40.996 0.104 1
1 293 . 9 1 1 A 26 26 LEU N N 26 123.615 118.851 4.764 1
1 294 . 9 1 1 A 27 27 SER H H 27 8.207 7.628 0.579 1
1 295 . 9 1 1 A 27 27 SER HA H 27 4.303 4.292 0.011 1
1 298 . 9 1 1 A 27 27 SER C C 27 175.019 174.970 0.049 1
1 299 . 9 1 1 A 27 27 SER CA C 27 59.818 59.563 0.255 1
1 300 . 9 1 1 A 27 27 SER CB C 27 64.198 63.065 1.133 1
1 301 . 9 1 1 A 27 27 SER N N 27 115.102 117.044 -1.942 1
1 302 . 9 1 1 A 28 28 GLY H H 28 8.581 8.615 -0.034 1
1 303 . 9 1 1 A 28 28 GLY HA2 H 28 4.244 4.133 0.111 1
1 304 . 9 1 1 A 28 28 GLY HA3 H 28 3.890 4.137 -0.247 1
1 305 . 9 1 1 A 28 28 GLY C C 28 174.264 172.763 1.501 1
1 306 . 9 1 1 A 28 28 GLY CA C 28 45.393 44.165 1.228 1
1 307 . 9 1 1 A 28 28 GLY N N 28 111.287 115.294 -4.007 1
1 308 . 9 1 1 A 29 29 ASP H H 29 8.680 8.473 0.207 1
1 309 . 9 1 1 A 29 29 ASP HA H 29 4.859 5.121 -0.262 1
1 312 . 9 1 1 A 29 29 ASP C C 29 176.461 176.317 0.144 1
1 313 . 9 1 1 A 29 29 ASP CA C 29 54.284 53.643 0.641 1
1 314 . 9 1 1 A 29 29 ASP CB C 29 39.716 41.888 -2.172 1
1 315 . 9 1 1 A 29 29 ASP N N 29 123.263 121.198 2.065 1
1 316 . 9 1 1 A 30 30 PHE H H 30 8.064 8.467 -0.403 1
1 317 . 9 1 1 A 30 30 PHE HA H 30 4.766 4.949 -0.183 1
1 325 . 9 1 1 A 30 30 PHE C C 30 175.486 176.445 -0.959 1
1 326 . 9 1 1 A 30 30 PHE CA C 30 57.460 56.799 0.661 1
1 327 . 9 1 1 A 30 30 PHE CB C 30 40.521 39.808 0.713 1
1 333 . 9 1 1 A 30 30 PHE N N 30 122.340 121.835 0.505 1
1 334 . 9 1 1 A 31 31 LEU H H 31 7.535 7.742 -0.207 1
1 335 . 9 1 1 A 31 31 LEU HA H 31 3.309 3.705 -0.396 1
1 345 . 9 1 1 A 31 31 LEU C C 31 176.442 177.631 -1.189 1
1 346 . 9 1 1 A 31 31 LEU CA C 31 57.841 57.275 0.566 1
1 347 . 9 1 1 A 31 31 LEU CB C 31 42.121 41.503 0.618 1
1 351 . 9 1 1 A 31 31 LEU N N 31 118.974 122.108 -3.134 1
1 352 . 9 1 1 A 32 32 ASP H H 32 8.081 7.515 0.566 1
1 353 . 9 1 1 A 32 32 ASP HA H 32 5.057 4.646 0.411 1
1 356 . 9 1 1 A 32 32 ASP C C 32 176.035 176.091 -0.056 1
1 357 . 9 1 1 A 32 32 ASP CA C 32 53.745 54.514 -0.769 1
1 358 . 9 1 1 A 32 32 ASP CB C 32 41.757 41.584 0.173 1
1 359 . 9 1 1 A 32 32 ASP N N 32 111.858 117.005 -5.147 1
1 360 . 9 1 1 A 33 33 LEU H H 33 7.223 7.432 -0.209 1
1 361 . 9 1 1 A 33 33 LEU HA H 33 4.315 4.229 0.086 1
1 371 . 9 1 1 A 33 33 LEU C C 33 174.834 176.128 -1.294 1
1 372 . 9 1 1 A 33 33 LEU CA C 33 54.484 54.559 -0.075 1
1 373 . 9 1 1 A 33 33 LEU CB C 33 42.469 41.807 0.662 1
1 377 . 9 1 1 A 33 33 LEU N N 33 122.072 121.026 1.046 1
1 378 . 9 1 1 A 34 34 ARG H H 34 8.486 8.831 -0.345 1
1 379 . 9 1 1 A 34 34 ARG HA H 34 4.746 4.457 0.289 1
1 387 . 9 1 1 A 34 34 ARG C C 34 179.695 177.709 1.986 1
1 388 . 9 1 1 A 34 34 ARG CA C 34 55.460 56.238 -0.778 1
1 389 . 9 1 1 A 34 34 ARG CB C 34 29.981 30.453 -0.472 1
1 393 . 9 1 1 A 34 34 ARG N N 34 116.268 124.906 -8.638 1
1 395 . 9 1 1 A 35 35 PHE H H 35 8.453 8.360 0.093 1
1 396 . 9 1 1 A 35 35 PHE HA H 35 4.398 4.211 0.187 1
1 404 . 9 1 1 A 35 35 PHE C C 35 178.728 178.024 0.704 1
1 405 . 9 1 1 A 35 35 PHE CA C 35 62.994 61.023 1.971 1
1 406 . 9 1 1 A 35 35 PHE CB C 35 37.964 38.490 -0.526 1
1 412 . 9 1 1 A 35 35 PHE N N 35 123.273 122.045 1.228 1
1 413 . 9 1 1 A 36 36 GLU H H 36 9.540 8.490 1.050 1
1 414 . 9 1 1 A 36 36 GLU HA H 36 4.357 4.088 0.269 1
1 419 . 9 1 1 A 36 36 GLU C C 36 178.636 178.390 0.246 1
1 420 . 9 1 1 A 36 36 GLU CA C 36 59.160 59.948 -0.788 1
1 421 . 9 1 1 A 36 36 GLU CB C 36 29.610 29.391 0.219 1
1 423 . 9 1 1 A 36 36 GLU N N 36 117.074 119.795 -2.721 1
1 424 . 9 1 1 A 37 37 ASP H H 37 7.532 7.853 -0.321 1
1 425 . 9 1 1 A 37 37 ASP HA H 37 4.811 4.447 0.364 1
1 428 . 9 1 1 A 37 37 ASP C C 37 177.974 177.591 0.383 1
1 429 . 9 1 1 A 37 37 ASP CA C 37 56.496 56.376 0.120 1
1 430 . 9 1 1 A 37 37 ASP CB C 37 41.271 41.041 0.230 1
1 431 . 9 1 1 A 37 37 ASP N N 37 118.229 119.099 -0.870 1
1 432 . 9 1 1 A 38 38 ILE H H 38 7.728 7.375 0.353 1
1 433 . 9 1 1 A 38 38 ILE HA H 38 4.676 4.296 0.380 1
1 443 . 9 1 1 A 38 38 ILE C C 38 176.102 176.222 -0.120 1
1 444 . 9 1 1 A 38 38 ILE CA C 38 61.973 60.654 1.319 1
1 445 . 9 1 1 A 38 38 ILE CB C 38 38.682 37.516 1.166 1
1 449 . 9 1 1 A 38 38 ILE N N 38 112.806 111.848 0.958 1
1 450 . 9 1 1 A 39 39 GLY H H 39 7.735 8.003 -0.268 1
1 451 . 9 1 1 A 39 39 GLY HA2 H 39 4.271 3.985 0.286 1
1 452 . 9 1 1 A 39 39 GLY HA3 H 39 3.898 4.013 -0.115 1
1 453 . 9 1 1 A 39 39 GLY C C 39 174.444 174.187 0.257 1
1 454 . 9 1 1 A 39 39 GLY CA C 39 46.438 46.308 0.130 1
1 455 . 9 1 1 A 39 39 GLY N N 39 107.120 110.803 -3.683 1
1 456 . 9 1 1 A 40 40 TYR H H 40 8.081 7.976 0.105 1
1 457 . 9 1 1 A 40 40 TYR HA H 40 4.586 4.688 -0.102 1
1 464 . 9 1 1 A 40 40 TYR C C 40 174.461 175.324 -0.863 1
1 465 . 9 1 1 A 40 40 TYR CA C 40 58.185 57.704 0.481 1
1 466 . 9 1 1 A 40 40 TYR CB C 40 40.424 40.102 0.322 1
1 471 . 9 1 1 A 40 40 TYR N N 40 121.688 118.168 3.520 1
1 472 . 9 1 1 A 41 41 ASP H H 41 8.040 8.927 -0.887 1
1 473 . 9 1 1 A 41 41 ASP HA H 41 4.727 4.802 -0.075 1
1 476 . 9 1 1 A 41 41 ASP C C 41 175.980 177.495 -1.515 1
1 477 . 9 1 1 A 41 41 ASP CA C 41 52.812 54.303 -1.491 1
1 478 . 9 1 1 A 41 41 ASP CB C 41 42.068 41.482 0.586 1
1 479 . 9 1 1 A 41 41 ASP N N 41 124.041 125.487 -1.446 1
1 480 . 9 1 1 A 42 42 SER H H 42 8.561 9.023 -0.462 1
1 481 . 9 1 1 A 42 42 SER HA H 42 4.198 4.087 0.111 1
1 484 . 9 1 1 A 42 42 SER C C 42 176.472 176.743 -0.271 1
1 485 . 9 1 1 A 42 42 SER CA C 42 62.309 62.265 0.044 1
1 486 . 9 1 1 A 42 42 SER CB C 42 62.943 62.586 0.357 1
1 487 . 9 1 1 A 42 42 SER N N 42 114.493 118.627 -4.134 1
1 488 . 9 1 1 A 43 43 LEU H H 43 7.804 8.085 -0.281 1
1 489 . 9 1 1 A 43 43 LEU HA H 43 4.270 4.083 0.187 1
1 499 . 9 1 1 A 43 43 LEU C C 43 179.551 178.337 1.214 1
1 500 . 9 1 1 A 43 43 LEU CA C 43 58.369 57.939 0.430 1
1 501 . 9 1 1 A 43 43 LEU CB C 43 41.057 41.486 -0.429 1
1 505 . 9 1 1 A 43 43 LEU N N 43 122.459 124.368 -1.909 1
1 506 . 9 1 1 A 44 44 ALA H H 44 8.064 8.264 -0.200 1
1 507 . 9 1 1 A 44 44 ALA HA H 44 4.334 4.035 0.299 1
1 511 . 9 1 1 A 44 44 ALA C C 44 181.733 179.826 1.907 1
1 512 . 9 1 1 A 44 44 ALA CA C 44 54.987 55.111 -0.124 1
1 513 . 9 1 1 A 44 44 ALA CB C 44 18.500 18.360 0.140 1
1 514 . 9 1 1 A 44 44 ALA N N 44 123.223 120.679 2.544 1
1 515 . 9 1 1 A 45 45 LEU H H 45 8.422 8.451 -0.029 1
1 516 . 9 1 1 A 45 45 LEU HA H 45 3.907 4.052 -0.145 1
1 526 . 9 1 1 A 45 45 LEU C C 45 178.613 178.461 0.152 1
1 527 . 9 1 1 A 45 45 LEU CA C 45 58.419 57.752 0.667 1
1 528 . 9 1 1 A 45 45 LEU CB C 45 41.643 41.550 0.093 1
1 532 . 9 1 1 A 45 45 LEU N N 45 121.714 120.358 1.356 1
1 533 . 9 1 1 A 46 46 MET H H 46 8.344 8.501 -0.157 1
1 534 . 9 1 1 A 46 46 MET HA H 46 4.259 4.097 0.162 1
1 539 . 9 1 1 A 46 46 MET C C 46 179.856 178.453 1.403 1
1 540 . 9 1 1 A 46 46 MET CA C 46 58.769 58.634 0.135 1
1 541 . 9 1 1 A 46 46 MET CB C 46 32.022 31.783 0.239 1
1 543 . 9 1 1 A 46 46 MET N N 46 119.039 117.131 1.908 1
1 544 . 9 1 1 A 47 47 GLU H H 47 8.414 8.537 -0.123 1
1 545 . 9 1 1 A 47 47 GLU HA H 47 4.257 3.998 0.259 1
1 550 . 9 1 1 A 47 47 GLU C C 47 179.208 179.191 0.017 1
1 551 . 9 1 1 A 47 47 GLU CA C 47 59.504 59.330 0.174 1
1 552 . 9 1 1 A 47 47 GLU CB C 47 29.229 29.393 -0.164 1
1 554 . 9 1 1 A 47 47 GLU N N 47 121.231 121.181 0.050 1
1 555 . 9 1 1 A 48 48 THR H H 48 8.329 7.701 0.628 1
1 556 . 9 1 1 A 48 48 THR HA H 48 3.962 4.504 -0.542 1
1 561 . 9 1 1 A 48 48 THR C C 48 176.334 176.440 -0.106 1
1 562 . 9 1 1 A 48 48 THR CA C 48 67.882 66.640 1.242 1
1 563 . 9 1 1 A 48 48 THR CB C 48 68.478 68.712 -0.234 1
1 565 . 9 1 1 A 48 48 THR N N 48 118.600 116.975 1.625 1
1 566 . 9 1 1 A 49 49 ALA H H 49 8.756 8.305 0.451 1
1 567 . 9 1 1 A 49 49 ALA HA H 49 3.963 3.942 0.021 1
1 571 . 9 1 1 A 49 49 ALA C C 49 178.615 179.366 -0.751 1
1 572 . 9 1 1 A 49 49 ALA CA C 49 56.227 55.395 0.832 1
1 573 . 9 1 1 A 49 49 ALA CB C 49 17.499 17.870 -0.371 1
1 574 . 9 1 1 A 49 49 ALA N N 49 123.599 122.913 0.686 1
1 575 . 9 1 1 A 50 50 ALA H H 50 8.191 8.371 -0.180 1
1 576 . 9 1 1 A 50 50 ALA HA H 50 4.281 4.504 -0.223 1
1 580 . 9 1 1 A 50 50 ALA C C 50 181.272 180.315 0.957 1
1 581 . 9 1 1 A 50 50 ALA CA C 50 55.488 55.214 0.274 1
1 582 . 9 1 1 A 50 50 ALA CB C 50 18.107 18.497 -0.390 1
1 583 . 9 1 1 A 50 50 ALA N N 50 119.558 120.387 -0.829 1
1 584 . 9 1 1 A 51 51 ARG H H 51 8.146 7.769 0.377 1
1 585 . 9 1 1 A 51 51 ARG HA H 51 4.257 4.032 0.225 1
1 593 . 9 1 1 A 51 51 ARG C C 51 179.815 178.525 1.290 1
1 594 . 9 1 1 A 51 51 ARG CA C 51 59.591 59.450 0.141 1
1 595 . 9 1 1 A 51 51 ARG CB C 51 30.400 29.615 0.785 1
1 599 . 9 1 1 A 51 51 ARG N N 51 119.722 118.900 0.822 1
1 601 . 9 1 1 A 52 52 LEU H H 52 8.432 8.184 0.248 1
1 602 . 9 1 1 A 52 52 LEU HA H 52 4.330 4.131 0.199 1
1 612 . 9 1 1 A 52 52 LEU C C 52 179.152 179.395 -0.243 1
1 613 . 9 1 1 A 52 52 LEU CA C 52 58.139 58.243 -0.104 1
1 614 . 9 1 1 A 52 52 LEU CB C 52 42.615 41.346 1.269 1
1 618 . 9 1 1 A 52 52 LEU N N 52 120.470 119.758 0.712 1
1 619 . 9 1 1 A 53 53 GLU H H 53 8.989 8.693 0.296 1
1 620 . 9 1 1 A 53 53 GLU HA H 53 4.105 4.004 0.101 1
1 625 . 9 1 1 A 53 53 GLU C C 53 179.370 178.716 0.654 1
1 626 . 9 1 1 A 53 53 GLU CA C 53 60.145 59.667 0.478 1
1 627 . 9 1 1 A 53 53 GLU CB C 53 29.184 29.468 -0.284 1
1 629 . 9 1 1 A 53 53 GLU N N 53 119.668 119.032 0.636 1
1 630 . 9 1 1 A 54 54 SER H H 54 8.028 7.873 0.155 1
1 631 . 9 1 1 A 54 54 SER HA H 54 4.392 4.144 0.248 1
1 634 . 9 1 1 A 54 54 SER C C 54 176.891 177.387 -0.496 1
1 635 . 9 1 1 A 54 54 SER CA C 54 61.162 61.651 -0.489 1
1 636 . 9 1 1 A 54 54 SER CB C 54 63.222 63.012 0.210 1
1 637 . 9 1 1 A 54 54 SER N N 54 112.842 115.146 -2.304 1
1 638 . 9 1 1 A 55 55 ARG H H 55 8.070 8.569 -0.499 1
1 639 . 9 1 1 A 55 55 ARG HA H 55 4.111 3.956 0.155 1
1 647 . 9 1 1 A 55 55 ARG C C 55 177.830 177.533 0.297 1
1 648 . 9 1 1 A 55 55 ARG CA C 55 58.824 58.844 -0.020 1
1 649 . 9 1 1 A 55 55 ARG CB C 55 30.829 29.451 1.378 1
1 653 . 9 1 1 A 55 55 ARG N N 55 120.550 121.749 -1.199 1
1 655 . 9 1 1 A 56 56 TYR H H 56 8.171 7.757 0.414 1
1 656 . 9 1 1 A 56 56 TYR HA H 56 4.685 4.645 0.040 1
1 663 . 9 1 1 A 56 56 TYR C C 56 176.027 175.728 0.299 1
1 664 . 9 1 1 A 56 56 TYR CA C 56 59.110 57.956 1.154 1
1 665 . 9 1 1 A 56 56 TYR CB C 56 39.339 38.912 0.427 1
1 670 . 9 1 1 A 56 56 TYR N N 56 113.561 114.795 -1.234 1
1 671 . 9 1 1 A 57 57 GLY H H 57 7.998 8.390 -0.392 1
1 672 . 9 1 1 A 57 57 GLY HA2 H 57 4.105 3.986 0.119 1
1 673 . 9 1 1 A 57 57 GLY HA3 H 57 4.105 3.997 0.108 1
1 674 . 9 1 1 A 57 57 GLY C C 57 174.600 173.695 0.905 1
1 675 . 9 1 1 A 57 57 GLY CA C 57 47.349 46.890 0.459 1
1 676 . 9 1 1 A 57 57 GLY N N 57 109.470 110.035 -0.565 1
1 677 . 9 1 1 A 58 58 VAL H H 58 7.515 7.955 -0.440 1
1 678 . 9 1 1 A 58 58 VAL HA H 58 4.694 4.844 -0.150 1
1 686 . 9 1 1 A 58 58 VAL C C 58 174.016 173.283 0.733 1
1 687 . 9 1 1 A 58 58 VAL CA C 58 59.282 59.454 -0.172 1
1 688 . 9 1 1 A 58 58 VAL CB C 58 34.791 35.690 -0.899 1
1 691 . 9 1 1 A 58 58 VAL N N 58 112.406 119.012 -6.606 1
1 692 . 9 1 1 A 59 59 SER H H 59 8.489 8.703 -0.214 1
1 693 . 9 1 1 A 59 59 SER HA H 59 4.847 5.243 -0.396 1
1 696 . 9 1 1 A 59 59 SER C C 59 173.643 173.155 0.488 1
1 697 . 9 1 1 A 59 59 SER CA C 59 57.213 57.175 0.038 1
1 698 . 9 1 1 A 59 59 SER CB C 59 64.285 65.313 -1.028 1
1 699 . 9 1 1 A 59 59 SER N N 59 116.724 119.226 -2.502 1
1 700 . 9 1 1 A 60 60 ILE H H 60 8.224 9.517 -1.293 1
1 701 . 9 1 1 A 60 60 ILE HA H 60 4.676 4.631 0.045 1
1 711 . 9 1 1 A 60 60 ILE CA C 60 57.702 57.368 0.334 1
1 712 . 9 1 1 A 60 60 ILE CB C 60 40.520 41.545 -1.025 1
1 716 . 9 1 1 A 60 60 ILE N N 60 125.582 125.798 -0.216 1
1 717 . 9 1 1 A 61 61 PRO HA H 61 4.543 4.579 -0.036 1
1 724 . 9 1 1 A 61 61 PRO C C 61 177.547 177.574 -0.027 1
1 725 . 9 1 1 A 61 61 PRO CA C 61 63.523 63.169 0.354 1
1 726 . 9 1 1 A 61 61 PRO CB C 61 32.704 31.986 0.718 1
1 729 . 9 1 1 A 62 62 ASP H H 62 8.857 8.668 0.189 1
1 730 . 9 1 1 A 62 62 ASP HA H 62 4.447 4.307 0.140 1
1 733 . 9 1 1 A 62 62 ASP C C 62 177.504 178.068 -0.564 1
1 734 . 9 1 1 A 62 62 ASP CA C 62 57.105 57.779 -0.674 1
1 735 . 9 1 1 A 62 62 ASP CB C 62 40.668 40.747 -0.079 1
1 736 . 9 1 1 A 62 62 ASP N N 62 123.624 123.013 0.611 1
1 737 . 9 1 1 A 63 63 ASP H H 63 8.691 8.162 0.529 1
1 738 . 9 1 1 A 63 63 ASP HA H 63 4.508 4.405 0.103 1
1 741 . 9 1 1 A 63 63 ASP C C 63 177.468 178.775 -1.307 1
1 742 . 9 1 1 A 63 63 ASP CA C 63 55.267 57.187 -1.920 1
1 743 . 9 1 1 A 63 63 ASP CB C 63 39.691 41.219 -1.528 1
1 744 . 9 1 1 A 63 63 ASP N N 63 116.744 119.381 -2.637 1
1 745 . 9 1 1 A 64 64 VAL H H 64 7.388 7.686 -0.298 1
1 746 . 9 1 1 A 64 64 VAL HA H 64 3.789 3.566 0.223 1
1 754 . 9 1 1 A 64 64 VAL C C 64 177.793 177.987 -0.194 1
1 755 . 9 1 1 A 64 64 VAL CA C 64 65.251 66.291 -1.040 1
1 756 . 9 1 1 A 64 64 VAL CB C 64 32.347 31.465 0.882 1
1 759 . 9 1 1 A 64 64 VAL N N 64 119.303 119.311 -0.008 1
1 760 . 9 1 1 A 65 65 ALA H H 65 8.212 8.124 0.088 1
1 761 . 9 1 1 A 65 65 ALA HA H 65 3.967 4.046 -0.079 1
1 765 . 9 1 1 A 65 65 ALA C C 65 178.005 178.791 -0.786 1
1 766 . 9 1 1 A 65 65 ALA CA C 65 55.196 55.211 -0.015 1
1 767 . 9 1 1 A 65 65 ALA CB C 65 18.373 18.375 -0.002 1
1 768 . 9 1 1 A 65 65 ALA N N 65 122.060 121.418 0.642 1
1 769 . 9 1 1 A 66 66 GLY H H 66 7.995 7.766 0.229 1
1 770 . 9 1 1 A 66 66 GLY HA2 H 66 4.133 3.992 0.141 1
1 771 . 9 1 1 A 66 66 GLY HA3 H 66 3.912 4.007 -0.095 1
1 772 . 9 1 1 A 66 66 GLY C C 66 174.615 174.821 -0.206 1
1 773 . 9 1 1 A 66 66 GLY CA C 66 45.925 45.404 0.521 1
1 774 . 9 1 1 A 66 66 GLY N N 66 99.445 105.464 -6.019 1
1 775 . 9 1 1 A 67 67 ARG H H 67 7.478 7.857 -0.379 1
1 776 . 9 1 1 A 67 67 ARG HA H 67 4.659 4.299 0.360 1
1 784 . 9 1 1 A 67 67 ARG C C 67 176.470 175.883 0.587 1
1 785 . 9 1 1 A 67 67 ARG CA C 67 55.647 57.607 -1.960 1
1 786 . 9 1 1 A 67 67 ARG CB C 67 31.843 30.575 1.268 1
1 790 . 9 1 1 A 67 67 ARG N N 67 116.761 119.668 -2.907 1
1 792 . 9 1 1 A 68 68 VAL H H 68 7.244 7.508 -0.264 1
1 793 . 9 1 1 A 68 68 VAL HA H 68 4.437 4.198 0.239 1
1 801 . 9 1 1 A 68 68 VAL C C 68 175.250 175.401 -0.151 1
1 802 . 9 1 1 A 68 68 VAL CA C 68 61.919 61.811 0.108 1
1 803 . 9 1 1 A 68 68 VAL CB C 68 33.329 32.219 1.110 1
1 806 . 9 1 1 A 68 68 VAL N N 68 114.725 116.232 -1.507 1
1 807 . 9 1 1 A 69 69 ASP H H 69 9.180 8.916 0.264 1
1 808 . 9 1 1 A 69 69 ASP HA H 69 5.272 4.967 0.305 1
1 811 . 9 1 1 A 69 69 ASP C C 69 177.035 176.136 0.899 1
1 812 . 9 1 1 A 69 69 ASP CA C 69 55.862 56.490 -0.628 1
1 813 . 9 1 1 A 69 69 ASP CB C 69 44.421 42.674 1.747 1
1 814 . 9 1 1 A 69 69 ASP N N 69 120.929 125.648 -4.719 1
1 815 . 9 1 1 A 70 70 THR H H 70 7.490 7.756 -0.266 1
1 816 . 9 1 1 A 70 70 THR HA H 70 4.969 4.319 0.650 1
1 821 . 9 1 1 A 70 70 THR CA C 70 57.776 58.540 -0.764 1
1 822 . 9 1 1 A 70 70 THR CB C 70 71.416 70.173 1.243 1
1 824 . 9 1 1 A 70 70 THR N N 70 107.879 111.179 -3.300 1
1 825 . 9 1 1 A 71 71 PRO HA H 71 4.247 4.375 -0.128 1
1 832 . 9 1 1 A 71 71 PRO C C 71 177.413 178.222 -0.809 1
1 833 . 9 1 1 A 71 71 PRO CA C 71 65.812 65.540 0.272 1
1 834 . 9 1 1 A 71 71 PRO CB C 71 32.647 31.588 1.059 1
1 837 . 9 1 1 A 72 72 ARG H H 72 9.000 8.772 0.228 1
1 838 . 9 1 1 A 72 72 ARG HA H 72 3.619 3.995 -0.376 1
1 850 . 9 1 1 A 72 72 ARG C C 72 177.530 178.782 -1.252 1
1 851 . 9 1 1 A 72 72 ARG CA C 72 60.211 58.995 1.216 1
1 852 . 9 1 1 A 72 72 ARG CB C 72 30.433 29.905 0.528 1
1 856 . 9 1 1 A 72 72 ARG N N 72 117.747 116.722 1.025 1
1 860 . 9 1 1 A 73 73 GLU H H 73 7.840 7.798 0.042 1
1 861 . 9 1 1 A 73 73 GLU HA H 73 4.245 4.038 0.207 1
1 866 . 9 1 1 A 73 73 GLU C C 73 180.139 179.119 1.020 1
1 867 . 9 1 1 A 73 73 GLU CA C 73 59.071 58.733 0.338 1
1 868 . 9 1 1 A 73 73 GLU CB C 73 30.230 29.640 0.590 1
1 870 . 9 1 1 A 73 73 GLU N N 73 116.639 119.177 -2.538 1
1 871 . 9 1 1 A 74 74 LEU H H 74 7.693 7.637 0.056 1
1 872 . 9 1 1 A 74 74 LEU HA H 74 4.324 4.070 0.254 1
1 882 . 9 1 1 A 74 74 LEU C C 74 177.000 178.221 -1.221 1
1 883 . 9 1 1 A 74 74 LEU CA C 74 58.123 58.153 -0.030 1
1 884 . 9 1 1 A 74 74 LEU CB C 74 42.242 41.739 0.503 1
1 888 . 9 1 1 A 74 74 LEU N N 74 120.218 122.150 -1.932 1
1 889 . 9 1 1 A 75 75 LEU H H 75 8.731 8.418 0.313 1
1 890 . 9 1 1 A 75 75 LEU HA H 75 3.904 3.940 -0.036 1
1 900 . 9 1 1 A 75 75 LEU C C 75 178.122 178.030 0.092 1
1 901 . 9 1 1 A 75 75 LEU CA C 75 58.462 58.500 -0.038 1
1 902 . 9 1 1 A 75 75 LEU CB C 75 42.400 41.700 0.700 1
1 906 . 9 1 1 A 75 75 LEU N N 75 121.211 119.696 1.515 1
1 907 . 9 1 1 A 76 76 ASP H H 76 8.703 8.481 0.222 1
1 908 . 9 1 1 A 76 76 ASP HA H 76 4.497 4.348 0.149 1
1 911 . 9 1 1 A 76 76 ASP C C 76 180.101 178.317 1.784 1
1 912 . 9 1 1 A 76 76 ASP CA C 76 57.325 57.832 -0.507 1
1 913 . 9 1 1 A 76 76 ASP CB C 76 39.936 41.408 -1.472 1
1 914 . 9 1 1 A 76 76 ASP N N 76 117.466 118.821 -1.355 1
1 915 . 9 1 1 A 77 77 LEU H H 77 8.019 7.767 0.252 1
1 916 . 9 1 1 A 77 77 LEU HA H 77 4.282 4.037 0.245 1
1 926 . 9 1 1 A 77 77 LEU C C 77 179.840 178.271 1.569 1
1 927 . 9 1 1 A 77 77 LEU CA C 77 58.417 58.496 -0.079 1
1 928 . 9 1 1 A 77 77 LEU CB C 77 42.856 41.691 1.165 1
1 932 . 9 1 1 A 77 77 LEU N N 77 122.891 120.254 2.637 1
1 933 . 9 1 1 A 78 78 ILE H H 78 8.281 7.966 0.315 1
1 934 . 9 1 1 A 78 78 ILE HA H 78 3.756 3.560 0.196 1
1 944 . 9 1 1 A 78 78 ILE C C 78 177.655 178.184 -0.529 1
1 945 . 9 1 1 A 78 78 ILE CA C 78 64.638 64.849 -0.211 1
1 946 . 9 1 1 A 78 78 ILE CB C 78 37.325 37.084 0.241 1
1 950 . 9 1 1 A 78 78 ILE N N 78 119.758 119.518 0.240 1
1 951 . 9 1 1 A 79 79 ASN H H 79 8.880 8.982 -0.102 1
1 952 . 9 1 1 A 79 79 ASN HA H 79 4.918 4.407 0.511 1
1 957 . 9 1 1 A 79 79 ASN C C 79 179.481 179.160 0.321 1
1 958 . 9 1 1 A 79 79 ASN CA C 79 55.446 56.289 -0.843 1
1 959 . 9 1 1 A 79 79 ASN CB C 79 37.299 37.620 -0.321 1
1 960 . 9 1 1 A 79 79 ASN N N 79 117.848 119.185 -1.337 1
1 962 . 9 1 1 A 80 80 GLY H H 80 8.441 8.399 0.042 1
1 963 . 9 1 1 A 80 80 GLY HA2 H 80 4.036 3.820 0.216 1
1 964 . 9 1 1 A 80 80 GLY HA3 H 80 4.036 3.823 0.213 1
1 965 . 9 1 1 A 80 80 GLY C C 80 175.746 176.322 -0.576 1
1 966 . 9 1 1 A 80 80 GLY CA C 80 47.065 47.080 -0.015 1
1 967 . 9 1 1 A 80 80 GLY N N 80 110.120 108.893 1.227 1
1 968 . 9 1 1 A 81 81 ALA H H 81 7.604 7.770 -0.166 1
1 969 . 9 1 1 A 81 81 ALA HA H 81 4.467 3.960 0.507 1
1 973 . 9 1 1 A 81 81 ALA C C 81 180.565 180.156 0.409 1
1 974 . 9 1 1 A 81 81 ALA CA C 81 54.298 54.747 -0.449 1
1 975 . 9 1 1 A 81 81 ALA CB C 81 18.530 18.444 0.086 1
1 976 . 9 1 1 A 81 81 ALA N N 81 124.070 125.164 -1.094 1
1 977 . 9 1 1 A 82 82 LEU H H 82 8.299 8.566 -0.267 1
1 978 . 9 1 1 A 82 82 LEU HA H 82 4.219 3.987 0.232 1
1 988 . 9 1 1 A 82 82 LEU C C 82 178.837 179.540 -0.703 1
1 989 . 9 1 1 A 82 82 LEU CA C 82 56.967 57.669 -0.702 1
1 990 . 9 1 1 A 82 82 LEU CB C 82 42.610 40.922 1.688 1
1 994 . 9 1 1 A 82 82 LEU N N 82 119.823 119.015 0.808 1
1 995 . 9 1 1 A 83 83 ALA H H 83 7.964 7.993 -0.029 1
1 996 . 9 1 1 A 83 83 ALA HA H 83 4.298 4.019 0.279 1
1 1000 . 9 1 1 A 83 83 ALA C C 83 178.739 179.104 -0.365 1
1 1001 . 9 1 1 A 83 83 ALA CA C 83 53.965 54.582 -0.617 1
1 1002 . 9 1 1 A 83 83 ALA CB C 83 18.917 18.192 0.725 1
1 1003 . 9 1 1 A 83 83 ALA N N 83 121.306 122.189 -0.883 1
1 1004 . 9 1 1 A 84 84 GLU H H 84 7.746 7.626 0.120 1
1 1005 . 9 1 1 A 84 84 GLU HA H 84 4.396 4.189 0.207 1
1 1010 . 9 1 1 A 84 84 GLU C C 84 176.347 177.435 -1.088 1
1 1011 . 9 1 1 A 84 84 GLU CA C 84 56.739 57.544 -0.805 1
1 1012 . 9 1 1 A 84 84 GLU CB C 84 30.126 29.404 0.722 1
1 1014 . 9 1 1 A 84 84 GLU N N 84 117.080 117.050 0.030 1
1 1015 . 9 1 1 A 85 85 ALA H H 85 7.832 8.280 -0.448 1
1 1016 . 9 1 1 A 85 85 ALA HA H 85 4.485 4.553 -0.068 1
1 1020 . 9 1 1 A 85 85 ALA C C 85 176.564 176.889 -0.325 1
1 1021 . 9 1 1 A 85 85 ALA CA C 85 52.485 51.366 1.119 1
1 1022 . 9 1 1 A 85 85 ALA CB C 85 19.529 20.636 -1.107 1
1 1023 . 9 1 1 A 85 85 ALA N N 85 124.010 121.642 2.368 1
1 1 . 10 1 1 A 2 2 ALA HA H 2 4.297 4.144 0.153 1
1 5 . 10 1 1 A 2 2 ALA C C 2 173.708 176.075 -2.367 1
1 6 . 10 1 1 A 2 2 ALA CA C 2 51.945 52.875 -0.930 1
1 7 . 10 1 1 A 2 2 ALA CB C 2 19.979 17.602 2.377 1
1 8 . 10 1 1 A 3 3 THR H H 3 8.680 8.137 0.543 1
1 9 . 10 1 1 A 3 3 THR HA H 3 4.411 4.826 -0.415 1
1 14 . 10 1 1 A 3 3 THR C C 3 172.914 173.451 -0.537 1
1 15 . 10 1 1 A 3 3 THR CA C 3 62.665 60.589 2.076 1
1 16 . 10 1 1 A 3 3 THR CB C 3 69.902 70.352 -0.450 1
1 18 . 10 1 1 A 3 3 THR N N 3 117.458 111.831 5.627 1
1 19 . 10 1 1 A 4 4 LEU H H 4 8.145 8.804 -0.659 1
1 20 . 10 1 1 A 4 4 LEU HA H 4 4.384 4.100 0.284 1
1 30 . 10 1 1 A 4 4 LEU C C 4 177.176 177.075 0.101 1
1 31 . 10 1 1 A 4 4 LEU CA C 4 54.765 55.389 -0.624 1
1 32 . 10 1 1 A 4 4 LEU CB C 4 42.790 41.659 1.131 1
1 36 . 10 1 1 A 4 4 LEU N N 4 124.380 129.289 -4.909 1
1 37 . 10 1 1 A 5 5 LEU H H 5 9.419 8.414 1.005 1
1 38 . 10 1 1 A 5 5 LEU HA H 5 4.536 4.182 0.354 1
1 48 . 10 1 1 A 5 5 LEU C C 5 177.849 177.681 0.168 1
1 49 . 10 1 1 A 5 5 LEU CA C 5 55.488 54.926 0.562 1
1 50 . 10 1 1 A 5 5 LEU CB C 5 42.700 42.068 0.632 1
1 54 . 10 1 1 A 5 5 LEU N N 5 124.415 125.309 -0.894 1
1 55 . 10 1 1 A 6 6 THR H H 6 8.995 8.545 0.450 1
1 56 . 10 1 1 A 6 6 THR HA H 6 4.783 4.737 0.046 1
1 61 . 10 1 1 A 6 6 THR C C 6 175.943 176.288 -0.345 1
1 62 . 10 1 1 A 6 6 THR CA C 6 59.961 60.121 -0.160 1
1 63 . 10 1 1 A 6 6 THR CB C 6 72.429 70.560 1.869 1
1 65 . 10 1 1 A 6 6 THR N N 6 114.757 114.800 -0.043 1
1 66 . 10 1 1 A 7 7 THR H H 7 8.851 8.887 -0.036 1
1 67 . 10 1 1 A 7 7 THR HA H 7 3.881 3.855 0.026 1
1 72 . 10 1 1 A 7 7 THR C C 7 176.566 175.721 0.845 1
1 73 . 10 1 1 A 7 7 THR CA C 7 67.277 67.198 0.079 1
1 74 . 10 1 1 A 7 7 THR CB C 7 68.542 68.737 -0.195 1
1 76 . 10 1 1 A 7 7 THR N N 7 115.540 116.522 -0.982 1
1 77 . 10 1 1 A 8 8 ASP H H 8 8.279 8.349 -0.070 1
1 78 . 10 1 1 A 8 8 ASP HA H 8 4.638 4.285 0.353 1
1 81 . 10 1 1 A 8 8 ASP C C 8 178.553 178.110 0.443 1
1 82 . 10 1 1 A 8 8 ASP CA C 8 57.738 57.991 -0.253 1
1 83 . 10 1 1 A 8 8 ASP CB C 8 41.219 41.951 -0.732 1
1 84 . 10 1 1 A 8 8 ASP N N 8 119.967 121.460 -1.493 1
1 85 . 10 1 1 A 9 9 ASP H H 9 7.905 7.530 0.375 1
1 86 . 10 1 1 A 9 9 ASP HA H 9 4.573 4.511 0.062 1
1 89 . 10 1 1 A 9 9 ASP C C 9 179.411 178.861 0.550 1
1 90 . 10 1 1 A 9 9 ASP CA C 9 57.667 57.484 0.183 1
1 91 . 10 1 1 A 9 9 ASP CB C 9 41.453 40.423 1.030 1
1 92 . 10 1 1 A 9 9 ASP N N 9 120.222 119.160 1.062 1
1 93 . 10 1 1 A 10 10 LEU H H 10 8.097 7.995 0.102 1
1 94 . 10 1 1 A 10 10 LEU HA H 10 4.225 4.109 0.116 1
1 104 . 10 1 1 A 10 10 LEU C C 10 177.475 178.463 -0.988 1
1 105 . 10 1 1 A 10 10 LEU CA C 10 57.959 58.148 -0.189 1
1 106 . 10 1 1 A 10 10 LEU CB C 10 42.013 41.533 0.480 1
1 110 . 10 1 1 A 10 10 LEU N N 10 121.315 120.666 0.649 1
1 111 . 10 1 1 A 11 11 ARG H H 11 8.841 8.556 0.285 1
1 112 . 10 1 1 A 11 11 ARG HA H 11 3.524 4.062 -0.538 1
1 120 . 10 1 1 A 11 11 ARG C C 11 177.728 178.676 -0.948 1
1 121 . 10 1 1 A 11 11 ARG CA C 11 60.662 59.925 0.737 1
1 122 . 10 1 1 A 11 11 ARG CB C 11 30.618 30.012 0.606 1
1 126 . 10 1 1 A 11 11 ARG N N 11 119.774 119.528 0.246 1
1 128 . 10 1 1 A 12 12 ARG H H 12 7.988 8.185 -0.197 1
1 129 . 10 1 1 A 12 12 ARG HA H 12 4.041 4.051 -0.010 1
1 137 . 10 1 1 A 12 12 ARG C C 12 178.452 178.321 0.131 1
1 138 . 10 1 1 A 12 12 ARG CA C 12 59.748 59.554 0.194 1
1 139 . 10 1 1 A 12 12 ARG CB C 12 30.414 30.152 0.262 1
1 143 . 10 1 1 A 12 12 ARG N N 12 115.529 119.629 -4.100 1
1 145 . 10 1 1 A 13 13 ALA H H 13 7.722 7.905 -0.183 1
1 146 . 10 1 1 A 13 13 ALA HA H 13 4.412 4.198 0.214 1
1 150 . 10 1 1 A 13 13 ALA C C 13 180.069 180.226 -0.157 1
1 151 . 10 1 1 A 13 13 ALA CA C 13 54.990 55.038 -0.048 1
1 152 . 10 1 1 A 13 13 ALA CB C 13 18.654 18.181 0.473 1
1 153 . 10 1 1 A 13 13 ALA N N 13 119.900 120.601 -0.701 1
1 154 . 10 1 1 A 14 14 LEU H H 14 8.419 8.247 0.172 1
1 155 . 10 1 1 A 14 14 LEU HA H 14 4.418 4.021 0.397 1
1 165 . 10 1 1 A 14 14 LEU C C 14 180.574 179.173 1.401 1
1 166 . 10 1 1 A 14 14 LEU CA C 14 57.488 58.110 -0.622 1
1 167 . 10 1 1 A 14 14 LEU CB C 14 42.008 42.301 -0.293 1
1 171 . 10 1 1 A 14 14 LEU N N 14 119.013 117.755 1.258 1
1 172 . 10 1 1 A 15 15 VAL H H 15 8.501 8.306 0.195 1
1 173 . 10 1 1 A 15 15 VAL HA H 15 3.929 3.572 0.357 1
1 181 . 10 1 1 A 15 15 VAL C C 15 178.956 177.496 1.460 1
1 182 . 10 1 1 A 15 15 VAL CA C 15 66.056 66.911 -0.855 1
1 183 . 10 1 1 A 15 15 VAL CB C 15 32.053 31.037 1.016 1
1 186 . 10 1 1 A 15 15 VAL N N 15 120.534 118.548 1.986 1
1 187 . 10 1 1 A 16 16 GLU H H 16 8.238 8.717 -0.479 1
1 188 . 10 1 1 A 16 16 GLU HA H 16 4.216 3.949 0.267 1
1 193 . 10 1 1 A 16 16 GLU C C 16 178.530 179.132 -0.602 1
1 194 . 10 1 1 A 16 16 GLU CA C 16 58.963 59.848 -0.885 1
1 195 . 10 1 1 A 16 16 GLU CB C 16 29.866 29.343 0.523 1
1 197 . 10 1 1 A 16 16 GLU N N 16 119.771 119.726 0.045 1
1 198 . 10 1 1 A 17 17 SER H H 17 7.808 8.442 -0.634 1
1 199 . 10 1 1 A 17 17 SER HA H 17 4.581 4.158 0.423 1
1 202 . 10 1 1 A 17 17 SER C C 17 174.239 176.142 -1.903 1
1 203 . 10 1 1 A 17 17 SER CA C 17 59.839 61.748 -1.909 1
1 204 . 10 1 1 A 17 17 SER CB C 17 64.127 62.950 1.177 1
1 205 . 10 1 1 A 17 17 SER N N 17 113.608 116.432 -2.824 1
1 206 . 10 1 1 A 18 18 ALA H H 18 7.809 8.011 -0.202 1
1 207 . 10 1 1 A 18 18 ALA HA H 18 4.358 4.091 0.267 1
1 211 . 10 1 1 A 18 18 ALA C C 18 178.239 177.863 0.376 1
1 212 . 10 1 1 A 18 18 ALA CA C 18 52.975 52.974 0.001 1
1 213 . 10 1 1 A 18 18 ALA CB C 18 19.808 19.341 0.467 1
1 214 . 10 1 1 A 18 18 ALA N N 18 123.180 120.433 2.747 1
1 215 . 10 1 1 A 19 19 GLY H H 19 8.241 8.194 0.047 1
1 216 . 10 1 1 A 19 19 GLY HA2 H 19 4.060 3.915 0.145 1
1 217 . 10 1 1 A 19 19 GLY HA3 H 19 4.060 3.926 0.134 1
1 218 . 10 1 1 A 19 19 GLY C C 19 174.390 174.113 0.277 1
1 219 . 10 1 1 A 19 19 GLY CA C 19 45.570 45.025 0.545 1
1 220 . 10 1 1 A 19 19 GLY N N 19 107.414 107.423 -0.009 1
1 221 . 10 1 1 A 20 20 GLU H H 20 8.501 7.793 0.708 1
1 222 . 10 1 1 A 20 20 GLU HA H 20 4.481 4.479 0.002 1
1 227 . 10 1 1 A 20 20 GLU C C 20 176.860 177.101 -0.241 1
1 228 . 10 1 1 A 20 20 GLU CA C 20 56.810 56.009 0.801 1
1 229 . 10 1 1 A 20 20 GLU CB C 20 30.060 31.320 -1.260 1
1 231 . 10 1 1 A 20 20 GLU N N 20 120.517 120.021 0.496 1
1 232 . 10 1 1 A 21 21 THR H H 21 8.251 8.544 -0.293 1
1 233 . 10 1 1 A 21 21 THR HA H 21 4.526 4.116 0.410 1
1 238 . 10 1 1 A 21 21 THR C C 21 174.520 174.383 0.137 1
1 239 . 10 1 1 A 21 21 THR CA C 21 61.836 64.940 -3.104 1
1 240 . 10 1 1 A 21 21 THR CB C 21 70.007 69.074 0.933 1
1 242 . 10 1 1 A 21 21 THR N N 21 113.989 116.369 -2.380 1
1 243 . 10 1 1 A 22 22 ASP H H 22 8.497 8.008 0.489 1
1 244 . 10 1 1 A 22 22 ASP HA H 22 4.737 4.854 -0.117 1
1 247 . 10 1 1 A 22 22 ASP C C 22 176.877 176.244 0.633 1
1 248 . 10 1 1 A 22 22 ASP CA C 22 54.739 53.051 1.688 1
1 249 . 10 1 1 A 22 22 ASP CB C 22 41.047 42.450 -1.403 1
1 250 . 10 1 1 A 22 22 ASP N N 22 122.136 117.754 4.382 1
1 251 . 10 1 1 A 23 23 GLY H H 23 8.499 8.843 -0.344 1
1 252 . 10 1 1 A 23 23 GLY HA2 H 23 4.087 4.003 0.084 1
1 253 . 10 1 1 A 23 23 GLY HA3 H 23 4.087 4.025 0.062 1
1 254 . 10 1 1 A 23 23 GLY C C 23 174.775 174.422 0.353 1
1 255 . 10 1 1 A 23 23 GLY CA C 23 45.815 46.654 -0.839 1
1 256 . 10 1 1 A 23 23 GLY N N 23 109.353 107.792 1.561 1
1 257 . 10 1 1 A 24 24 THR H H 24 8.151 8.461 -0.310 1
1 258 . 10 1 1 A 24 24 THR HA H 24 4.345 4.212 0.133 1
1 263 . 10 1 1 A 24 24 THR C C 24 174.220 174.364 -0.144 1
1 264 . 10 1 1 A 24 24 THR CA C 24 63.084 64.002 -0.918 1
1 265 . 10 1 1 A 24 24 THR CB C 24 69.889 68.085 1.804 1
1 267 . 10 1 1 A 24 24 THR N N 24 115.906 120.118 -4.212 1
1 268 . 10 1 1 A 25 25 ASP H H 25 8.617 8.783 -0.166 1
1 269 . 10 1 1 A 25 25 ASP HA H 25 4.726 4.826 -0.100 1
1 272 . 10 1 1 A 25 25 ASP C C 25 176.172 177.344 -1.172 1
1 273 . 10 1 1 A 25 25 ASP CA C 25 54.459 52.723 1.736 1
1 274 . 10 1 1 A 25 25 ASP CB C 25 41.038 40.533 0.505 1
1 275 . 10 1 1 A 25 25 ASP N N 25 123.841 126.992 -3.151 1
1 276 . 10 1 1 A 26 26 LEU H H 26 8.468 7.648 0.820 1
1 277 . 10 1 1 A 26 26 LEU HA H 26 4.375 3.818 0.557 1
1 287 . 10 1 1 A 26 26 LEU C C 26 176.307 177.018 -0.711 1
1 288 . 10 1 1 A 26 26 LEU CA C 26 54.128 57.200 -3.072 1
1 289 . 10 1 1 A 26 26 LEU CB C 26 41.100 41.193 -0.093 1
1 293 . 10 1 1 A 26 26 LEU N N 26 123.615 121.759 1.856 1
1 294 . 10 1 1 A 27 27 SER H H 27 8.207 6.993 1.214 1
1 295 . 10 1 1 A 27 27 SER HA H 27 4.303 4.402 -0.099 1
1 298 . 10 1 1 A 27 27 SER C C 27 175.019 173.689 1.330 1
1 299 . 10 1 1 A 27 27 SER CA C 27 59.818 57.844 1.974 1
1 300 . 10 1 1 A 27 27 SER CB C 27 64.198 62.879 1.319 1
1 301 . 10 1 1 A 27 27 SER N N 27 115.102 115.096 0.006 1
1 302 . 10 1 1 A 28 28 GLY H H 28 8.581 7.826 0.755 1
1 303 . 10 1 1 A 28 28 GLY HA2 H 28 4.244 4.245 -0.001 1
1 304 . 10 1 1 A 28 28 GLY HA3 H 28 3.890 4.249 -0.359 1
1 305 . 10 1 1 A 28 28 GLY C C 28 174.264 171.412 2.852 1
1 306 . 10 1 1 A 28 28 GLY CA C 28 45.393 45.976 -0.583 1
1 307 . 10 1 1 A 28 28 GLY N N 28 111.287 113.868 -2.581 1
1 308 . 10 1 1 A 29 29 ASP H H 29 8.680 8.484 0.196 1
1 309 . 10 1 1 A 29 29 ASP HA H 29 4.859 4.786 0.073 1
1 312 . 10 1 1 A 29 29 ASP C C 29 176.461 176.439 0.022 1
1 313 . 10 1 1 A 29 29 ASP CA C 29 54.284 53.484 0.800 1
1 314 . 10 1 1 A 29 29 ASP CB C 29 39.716 40.665 -0.949 1
1 315 . 10 1 1 A 29 29 ASP N N 29 123.263 120.595 2.668 1
1 316 . 10 1 1 A 30 30 PHE H H 30 8.064 8.484 -0.420 1
1 317 . 10 1 1 A 30 30 PHE HA H 30 4.766 4.816 -0.050 1
1 325 . 10 1 1 A 30 30 PHE C C 30 175.486 176.578 -1.092 1
1 326 . 10 1 1 A 30 30 PHE CA C 30 57.460 57.125 0.335 1
1 327 . 10 1 1 A 30 30 PHE CB C 30 40.521 39.154 1.367 1
1 333 . 10 1 1 A 30 30 PHE N N 30 122.340 122.417 -0.077 1
1 334 . 10 1 1 A 31 31 LEU H H 31 7.535 7.588 -0.053 1
1 335 . 10 1 1 A 31 31 LEU HA H 31 3.309 3.670 -0.361 1
1 345 . 10 1 1 A 31 31 LEU C C 31 176.442 176.875 -0.433 1
1 346 . 10 1 1 A 31 31 LEU CA C 31 57.841 57.418 0.423 1
1 347 . 10 1 1 A 31 31 LEU CB C 31 42.121 41.476 0.645 1
1 351 . 10 1 1 A 31 31 LEU N N 31 118.974 122.165 -3.191 1
1 352 . 10 1 1 A 32 32 ASP H H 32 8.081 7.541 0.540 1
1 353 . 10 1 1 A 32 32 ASP HA H 32 5.057 4.612 0.445 1
1 356 . 10 1 1 A 32 32 ASP C C 32 176.035 176.270 -0.235 1
1 357 . 10 1 1 A 32 32 ASP CA C 32 53.745 53.696 0.049 1
1 358 . 10 1 1 A 32 32 ASP CB C 32 41.757 41.372 0.385 1
1 359 . 10 1 1 A 32 32 ASP N N 32 111.858 116.834 -4.976 1
1 360 . 10 1 1 A 33 33 LEU H H 33 7.223 7.360 -0.137 1
1 361 . 10 1 1 A 33 33 LEU HA H 33 4.315 4.167 0.148 1
1 371 . 10 1 1 A 33 33 LEU C C 33 174.834 176.103 -1.269 1
1 372 . 10 1 1 A 33 33 LEU CA C 33 54.484 55.025 -0.541 1
1 373 . 10 1 1 A 33 33 LEU CB C 33 42.469 42.135 0.334 1
1 377 . 10 1 1 A 33 33 LEU N N 33 122.072 122.520 -0.448 1
1 378 . 10 1 1 A 34 34 ARG H H 34 8.486 8.787 -0.301 1
1 379 . 10 1 1 A 34 34 ARG HA H 34 4.746 4.556 0.190 1
1 387 . 10 1 1 A 34 34 ARG C C 34 179.695 177.337 2.358 1
1 388 . 10 1 1 A 34 34 ARG CA C 34 55.460 56.137 -0.677 1
1 389 . 10 1 1 A 34 34 ARG CB C 34 29.981 30.416 -0.435 1
1 393 . 10 1 1 A 34 34 ARG N N 34 116.268 124.436 -8.168 1
1 395 . 10 1 1 A 35 35 PHE H H 35 8.453 8.282 0.171 1
1 396 . 10 1 1 A 35 35 PHE HA H 35 4.398 4.228 0.170 1
1 404 . 10 1 1 A 35 35 PHE C C 35 178.728 178.205 0.523 1
1 405 . 10 1 1 A 35 35 PHE CA C 35 62.994 61.461 1.533 1
1 406 . 10 1 1 A 35 35 PHE CB C 35 37.964 38.638 -0.674 1
1 412 . 10 1 1 A 35 35 PHE N N 35 123.273 122.335 0.938 1
1 413 . 10 1 1 A 36 36 GLU H H 36 9.540 8.592 0.948 1
1 414 . 10 1 1 A 36 36 GLU HA H 36 4.357 4.163 0.194 1
1 419 . 10 1 1 A 36 36 GLU C C 36 178.636 178.519 0.117 1
1 420 . 10 1 1 A 36 36 GLU CA C 36 59.160 60.350 -1.190 1
1 421 . 10 1 1 A 36 36 GLU CB C 36 29.610 29.184 0.426 1
1 423 . 10 1 1 A 36 36 GLU N N 36 117.074 118.470 -1.396 1
1 424 . 10 1 1 A 37 37 ASP H H 37 7.532 7.727 -0.195 1
1 425 . 10 1 1 A 37 37 ASP HA H 37 4.811 4.438 0.373 1
1 428 . 10 1 1 A 37 37 ASP C C 37 177.974 177.575 0.399 1
1 429 . 10 1 1 A 37 37 ASP CA C 37 56.496 56.459 0.037 1
1 430 . 10 1 1 A 37 37 ASP CB C 37 41.271 41.093 0.178 1
1 431 . 10 1 1 A 37 37 ASP N N 37 118.229 119.691 -1.462 1
1 432 . 10 1 1 A 38 38 ILE H H 38 7.728 7.576 0.152 1
1 433 . 10 1 1 A 38 38 ILE HA H 38 4.676 4.357 0.319 1
1 443 . 10 1 1 A 38 38 ILE C C 38 176.102 176.101 0.001 1
1 444 . 10 1 1 A 38 38 ILE CA C 38 61.973 60.593 1.380 1
1 445 . 10 1 1 A 38 38 ILE CB C 38 38.682 37.592 1.090 1
1 449 . 10 1 1 A 38 38 ILE N N 38 112.806 111.770 1.036 1
1 450 . 10 1 1 A 39 39 GLY H H 39 7.735 8.206 -0.471 1
1 451 . 10 1 1 A 39 39 GLY HA2 H 39 4.271 3.930 0.341 1
1 452 . 10 1 1 A 39 39 GLY HA3 H 39 3.898 3.934 -0.036 1
1 453 . 10 1 1 A 39 39 GLY C C 39 174.444 173.859 0.585 1
1 454 . 10 1 1 A 39 39 GLY CA C 39 46.438 46.053 0.385 1
1 455 . 10 1 1 A 39 39 GLY N N 39 107.120 110.468 -3.348 1
1 456 . 10 1 1 A 40 40 TYR H H 40 8.081 8.161 -0.080 1
1 457 . 10 1 1 A 40 40 TYR HA H 40 4.586 4.931 -0.345 1
1 464 . 10 1 1 A 40 40 TYR C C 40 174.461 174.860 -0.399 1
1 465 . 10 1 1 A 40 40 TYR CA C 40 58.185 56.911 1.274 1
1 466 . 10 1 1 A 40 40 TYR CB C 40 40.424 39.604 0.820 1
1 471 . 10 1 1 A 40 40 TYR N N 40 121.688 118.674 3.014 1
1 472 . 10 1 1 A 41 41 ASP H H 41 8.040 8.874 -0.834 1
1 473 . 10 1 1 A 41 41 ASP HA H 41 4.727 4.843 -0.116 1
1 476 . 10 1 1 A 41 41 ASP C C 41 175.980 177.425 -1.445 1
1 477 . 10 1 1 A 41 41 ASP CA C 41 52.812 54.243 -1.431 1
1 478 . 10 1 1 A 41 41 ASP CB C 41 42.068 41.452 0.616 1
1 479 . 10 1 1 A 41 41 ASP N N 41 124.041 125.837 -1.796 1
1 480 . 10 1 1 A 42 42 SER H H 42 8.561 8.905 -0.344 1
1 481 . 10 1 1 A 42 42 SER HA H 42 4.198 4.050 0.148 1
1 484 . 10 1 1 A 42 42 SER C C 42 176.472 176.315 0.157 1
1 485 . 10 1 1 A 42 42 SER CA C 42 62.309 61.535 0.774 1
1 486 . 10 1 1 A 42 42 SER CB C 42 62.943 62.735 0.208 1
1 487 . 10 1 1 A 42 42 SER N N 42 114.493 117.666 -3.173 1
1 488 . 10 1 1 A 43 43 LEU H H 43 7.804 8.150 -0.346 1
1 489 . 10 1 1 A 43 43 LEU HA H 43 4.270 4.031 0.239 1
1 499 . 10 1 1 A 43 43 LEU C C 43 179.551 178.123 1.428 1
1 500 . 10 1 1 A 43 43 LEU CA C 43 58.369 58.116 0.253 1
1 501 . 10 1 1 A 43 43 LEU CB C 43 41.057 42.070 -1.013 1
1 505 . 10 1 1 A 43 43 LEU N N 43 122.459 122.582 -0.123 1
1 506 . 10 1 1 A 44 44 ALA H H 44 8.064 8.346 -0.282 1
1 507 . 10 1 1 A 44 44 ALA HA H 44 4.334 4.076 0.258 1
1 511 . 10 1 1 A 44 44 ALA C C 44 181.733 179.699 2.034 1
1 512 . 10 1 1 A 44 44 ALA CA C 44 54.987 54.764 0.223 1
1 513 . 10 1 1 A 44 44 ALA CB C 44 18.500 18.305 0.195 1
1 514 . 10 1 1 A 44 44 ALA N N 44 123.223 120.760 2.463 1
1 515 . 10 1 1 A 45 45 LEU H H 45 8.422 8.363 0.059 1
1 516 . 10 1 1 A 45 45 LEU HA H 45 3.907 4.073 -0.166 1
1 526 . 10 1 1 A 45 45 LEU C C 45 178.613 178.611 0.002 1
1 527 . 10 1 1 A 45 45 LEU CA C 45 58.419 57.897 0.522 1
1 528 . 10 1 1 A 45 45 LEU CB C 45 41.643 41.528 0.115 1
1 532 . 10 1 1 A 45 45 LEU N N 45 121.714 120.653 1.061 1
1 533 . 10 1 1 A 46 46 MET H H 46 8.344 8.505 -0.161 1
1 534 . 10 1 1 A 46 46 MET HA H 46 4.259 4.062 0.197 1
1 539 . 10 1 1 A 46 46 MET C C 46 179.856 178.452 1.404 1
1 540 . 10 1 1 A 46 46 MET CA C 46 58.769 58.587 0.182 1
1 541 . 10 1 1 A 46 46 MET CB C 46 32.022 32.049 -0.027 1
1 543 . 10 1 1 A 46 46 MET N N 46 119.039 117.081 1.958 1
1 544 . 10 1 1 A 47 47 GLU H H 47 8.414 8.158 0.256 1
1 545 . 10 1 1 A 47 47 GLU HA H 47 4.257 3.996 0.261 1
1 550 . 10 1 1 A 47 47 GLU C C 47 179.208 179.194 0.014 1
1 551 . 10 1 1 A 47 47 GLU CA C 47 59.504 59.345 0.159 1
1 552 . 10 1 1 A 47 47 GLU CB C 47 29.229 29.393 -0.164 1
1 554 . 10 1 1 A 47 47 GLU N N 47 121.231 121.040 0.191 1
1 555 . 10 1 1 A 48 48 THR H H 48 8.329 7.787 0.542 1
1 556 . 10 1 1 A 48 48 THR HA H 48 3.962 4.421 -0.459 1
1 561 . 10 1 1 A 48 48 THR C C 48 176.334 176.078 0.256 1
1 562 . 10 1 1 A 48 48 THR CA C 48 67.882 66.598 1.284 1
1 563 . 10 1 1 A 48 48 THR CB C 48 68.478 68.928 -0.450 1
1 565 . 10 1 1 A 48 48 THR N N 48 118.600 117.073 1.527 1
1 566 . 10 1 1 A 49 49 ALA H H 49 8.756 8.699 0.057 1
1 567 . 10 1 1 A 49 49 ALA HA H 49 3.963 3.953 0.010 1
1 571 . 10 1 1 A 49 49 ALA C C 49 178.615 179.294 -0.679 1
1 572 . 10 1 1 A 49 49 ALA CA C 49 56.227 55.505 0.722 1
1 573 . 10 1 1 A 49 49 ALA CB C 49 17.499 17.905 -0.406 1
1 574 . 10 1 1 A 49 49 ALA N N 49 123.599 122.874 0.725 1
1 575 . 10 1 1 A 50 50 ALA H H 50 8.191 8.455 -0.264 1
1 576 . 10 1 1 A 50 50 ALA HA H 50 4.281 4.125 0.156 1
1 580 . 10 1 1 A 50 50 ALA C C 50 181.272 180.250 1.022 1
1 581 . 10 1 1 A 50 50 ALA CA C 50 55.488 55.208 0.280 1
1 582 . 10 1 1 A 50 50 ALA CB C 50 18.107 18.587 -0.480 1
1 583 . 10 1 1 A 50 50 ALA N N 50 119.558 120.064 -0.506 1
1 584 . 10 1 1 A 51 51 ARG H H 51 8.146 7.762 0.384 1
1 585 . 10 1 1 A 51 51 ARG HA H 51 4.257 4.019 0.238 1
1 593 . 10 1 1 A 51 51 ARG C C 51 179.815 178.532 1.283 1
1 594 . 10 1 1 A 51 51 ARG CA C 51 59.591 58.897 0.694 1
1 595 . 10 1 1 A 51 51 ARG CB C 51 30.400 29.958 0.442 1
1 599 . 10 1 1 A 51 51 ARG N N 51 119.722 118.815 0.907 1
1 601 . 10 1 1 A 52 52 LEU H H 52 8.432 8.191 0.241 1
1 602 . 10 1 1 A 52 52 LEU HA H 52 4.330 4.225 0.105 1
1 612 . 10 1 1 A 52 52 LEU C C 52 179.152 179.319 -0.167 1
1 613 . 10 1 1 A 52 52 LEU CA C 52 58.139 58.189 -0.050 1
1 614 . 10 1 1 A 52 52 LEU CB C 52 42.615 41.212 1.403 1
1 618 . 10 1 1 A 52 52 LEU N N 52 120.470 119.918 0.552 1
1 619 . 10 1 1 A 53 53 GLU H H 53 8.989 8.842 0.147 1
1 620 . 10 1 1 A 53 53 GLU HA H 53 4.105 4.285 -0.180 1
1 625 . 10 1 1 A 53 53 GLU C C 53 179.370 178.819 0.551 1
1 626 . 10 1 1 A 53 53 GLU CA C 53 60.145 59.551 0.594 1
1 627 . 10 1 1 A 53 53 GLU CB C 53 29.184 29.533 -0.349 1
1 629 . 10 1 1 A 53 53 GLU N N 53 119.668 118.109 1.559 1
1 630 . 10 1 1 A 54 54 SER H H 54 8.028 7.941 0.087 1
1 631 . 10 1 1 A 54 54 SER HA H 54 4.392 4.123 0.269 1
1 634 . 10 1 1 A 54 54 SER C C 54 176.891 177.329 -0.438 1
1 635 . 10 1 1 A 54 54 SER CA C 54 61.162 61.671 -0.509 1
1 636 . 10 1 1 A 54 54 SER CB C 54 63.222 63.047 0.175 1
1 637 . 10 1 1 A 54 54 SER N N 54 112.842 115.230 -2.388 1
1 638 . 10 1 1 A 55 55 ARG H H 55 8.070 8.014 0.056 1
1 639 . 10 1 1 A 55 55 ARG HA H 55 4.111 3.926 0.185 1
1 647 . 10 1 1 A 55 55 ARG C C 55 177.830 177.465 0.365 1
1 648 . 10 1 1 A 55 55 ARG CA C 55 58.824 58.725 0.099 1
1 649 . 10 1 1 A 55 55 ARG CB C 55 30.829 29.321 1.508 1
1 653 . 10 1 1 A 55 55 ARG N N 55 120.550 121.386 -0.836 1
1 655 . 10 1 1 A 56 56 TYR H H 56 8.171 7.538 0.633 1
1 656 . 10 1 1 A 56 56 TYR HA H 56 4.685 4.684 0.001 1
1 663 . 10 1 1 A 56 56 TYR C C 56 176.027 175.708 0.319 1
1 664 . 10 1 1 A 56 56 TYR CA C 56 59.110 57.654 1.456 1
1 665 . 10 1 1 A 56 56 TYR CB C 56 39.339 38.673 0.666 1
1 670 . 10 1 1 A 56 56 TYR N N 56 113.561 114.665 -1.104 1
1 671 . 10 1 1 A 57 57 GLY H H 57 7.998 7.714 0.284 1
1 672 . 10 1 1 A 57 57 GLY HA2 H 57 4.105 3.978 0.127 1
1 673 . 10 1 1 A 57 57 GLY HA3 H 57 4.105 3.990 0.115 1
1 674 . 10 1 1 A 57 57 GLY C C 57 174.600 174.227 0.373 1
1 675 . 10 1 1 A 57 57 GLY CA C 57 47.349 46.931 0.418 1
1 676 . 10 1 1 A 57 57 GLY N N 57 109.470 109.918 -0.448 1
1 677 . 10 1 1 A 58 58 VAL H H 58 7.515 7.596 -0.081 1
1 678 . 10 1 1 A 58 58 VAL HA H 58 4.694 4.586 0.108 1
1 686 . 10 1 1 A 58 58 VAL C C 58 174.016 173.983 0.033 1
1 687 . 10 1 1 A 58 58 VAL CA C 58 59.282 59.739 -0.457 1
1 688 . 10 1 1 A 58 58 VAL CB C 58 34.791 34.584 0.207 1
1 691 . 10 1 1 A 58 58 VAL N N 58 112.406 120.470 -8.064 1
1 692 . 10 1 1 A 59 59 SER H H 59 8.489 8.838 -0.349 1
1 693 . 10 1 1 A 59 59 SER HA H 59 4.847 5.163 -0.316 1
1 696 . 10 1 1 A 59 59 SER C C 59 173.643 173.844 -0.201 1
1 697 . 10 1 1 A 59 59 SER CA C 59 57.213 58.026 -0.813 1
1 698 . 10 1 1 A 59 59 SER CB C 59 64.285 64.035 0.250 1
1 699 . 10 1 1 A 59 59 SER N N 59 116.724 124.507 -7.783 1
1 700 . 10 1 1 A 60 60 ILE H H 60 8.224 9.026 -0.802 1
1 701 . 10 1 1 A 60 60 ILE HA H 60 4.676 4.645 0.031 1
1 711 . 10 1 1 A 60 60 ILE CA C 60 57.702 58.068 -0.366 1
1 712 . 10 1 1 A 60 60 ILE CB C 60 40.520 40.288 0.232 1
1 716 . 10 1 1 A 60 60 ILE N N 60 125.582 126.482 -0.900 1
1 717 . 10 1 1 A 61 61 PRO HA H 61 4.543 4.542 0.001 1
1 724 . 10 1 1 A 61 61 PRO C C 61 177.547 177.454 0.093 1
1 725 . 10 1 1 A 61 61 PRO CA C 61 63.523 62.976 0.547 1
1 726 . 10 1 1 A 61 61 PRO CB C 61 32.704 32.596 0.108 1
1 729 . 10 1 1 A 62 62 ASP H H 62 8.857 8.625 0.232 1
1 730 . 10 1 1 A 62 62 ASP HA H 62 4.447 4.312 0.135 1
1 733 . 10 1 1 A 62 62 ASP C C 62 177.504 178.087 -0.583 1
1 734 . 10 1 1 A 62 62 ASP CA C 62 57.105 57.778 -0.673 1
1 735 . 10 1 1 A 62 62 ASP CB C 62 40.668 40.735 -0.067 1
1 736 . 10 1 1 A 62 62 ASP N N 62 123.624 122.215 1.409 1
1 737 . 10 1 1 A 63 63 ASP H H 63 8.691 8.172 0.519 1
1 738 . 10 1 1 A 63 63 ASP HA H 63 4.508 4.399 0.109 1
1 741 . 10 1 1 A 63 63 ASP C C 63 177.468 178.765 -1.297 1
1 742 . 10 1 1 A 63 63 ASP CA C 63 55.267 57.173 -1.906 1
1 743 . 10 1 1 A 63 63 ASP CB C 63 39.691 41.098 -1.407 1
1 744 . 10 1 1 A 63 63 ASP N N 63 116.744 119.056 -2.312 1
1 745 . 10 1 1 A 64 64 VAL H H 64 7.388 7.786 -0.398 1
1 746 . 10 1 1 A 64 64 VAL HA H 64 3.789 3.538 0.251 1
1 754 . 10 1 1 A 64 64 VAL C C 64 177.793 178.418 -0.625 1
1 755 . 10 1 1 A 64 64 VAL CA C 64 65.251 66.311 -1.060 1
1 756 . 10 1 1 A 64 64 VAL CB C 64 32.347 31.562 0.785 1
1 759 . 10 1 1 A 64 64 VAL N N 64 119.303 119.448 -0.145 1
1 760 . 10 1 1 A 65 65 ALA H H 65 8.212 8.154 0.058 1
1 761 . 10 1 1 A 65 65 ALA HA H 65 3.967 4.067 -0.100 1
1 765 . 10 1 1 A 65 65 ALA C C 65 178.005 178.808 -0.803 1
1 766 . 10 1 1 A 65 65 ALA CA C 65 55.196 54.950 0.246 1
1 767 . 10 1 1 A 65 65 ALA CB C 65 18.373 18.373 0.000 1
1 768 . 10 1 1 A 65 65 ALA N N 65 122.060 121.290 0.770 1
1 769 . 10 1 1 A 66 66 GLY H H 66 7.995 7.820 0.175 1
1 770 . 10 1 1 A 66 66 GLY HA2 H 66 4.133 4.012 0.121 1
1 771 . 10 1 1 A 66 66 GLY HA3 H 66 3.912 4.020 -0.108 1
1 772 . 10 1 1 A 66 66 GLY C C 66 174.615 174.457 0.158 1
1 773 . 10 1 1 A 66 66 GLY CA C 66 45.925 45.367 0.558 1
1 774 . 10 1 1 A 66 66 GLY N N 66 99.445 105.410 -5.965 1
1 775 . 10 1 1 A 67 67 ARG H H 67 7.478 8.007 -0.529 1
1 776 . 10 1 1 A 67 67 ARG HA H 67 4.659 4.444 0.215 1
1 784 . 10 1 1 A 67 67 ARG C C 67 176.470 176.229 0.241 1
1 785 . 10 1 1 A 67 67 ARG CA C 67 55.647 56.166 -0.519 1
1 786 . 10 1 1 A 67 67 ARG CB C 67 31.843 31.233 0.610 1
1 790 . 10 1 1 A 67 67 ARG N N 67 116.761 118.747 -1.986 1
1 792 . 10 1 1 A 68 68 VAL H H 68 7.244 7.089 0.155 1
1 793 . 10 1 1 A 68 68 VAL HA H 68 4.437 4.222 0.215 1
1 801 . 10 1 1 A 68 68 VAL C C 68 175.250 175.799 -0.549 1
1 802 . 10 1 1 A 68 68 VAL CA C 68 61.919 61.750 0.169 1
1 803 . 10 1 1 A 68 68 VAL CB C 68 33.329 31.549 1.780 1
1 806 . 10 1 1 A 68 68 VAL N N 68 114.725 117.659 -2.934 1
1 807 . 10 1 1 A 69 69 ASP H H 69 9.180 8.764 0.416 1
1 808 . 10 1 1 A 69 69 ASP HA H 69 5.272 4.881 0.391 1
1 811 . 10 1 1 A 69 69 ASP C C 69 177.035 176.090 0.945 1
1 812 . 10 1 1 A 69 69 ASP CA C 69 55.862 55.620 0.242 1
1 813 . 10 1 1 A 69 69 ASP CB C 69 44.421 42.638 1.783 1
1 814 . 10 1 1 A 69 69 ASP N N 69 120.929 126.300 -5.371 1
1 815 . 10 1 1 A 70 70 THR H H 70 7.490 7.461 0.029 1
1 816 . 10 1 1 A 70 70 THR HA H 70 4.969 4.374 0.595 1
1 821 . 10 1 1 A 70 70 THR CA C 70 57.776 58.186 -0.410 1
1 822 . 10 1 1 A 70 70 THR CB C 70 71.416 70.645 0.771 1
1 824 . 10 1 1 A 70 70 THR N N 70 107.879 108.034 -0.155 1
1 825 . 10 1 1 A 71 71 PRO HA H 71 4.247 4.276 -0.029 1
1 832 . 10 1 1 A 71 71 PRO C C 71 177.413 178.079 -0.666 1
1 833 . 10 1 1 A 71 71 PRO CA C 71 65.812 65.197 0.615 1
1 834 . 10 1 1 A 71 71 PRO CB C 71 32.647 31.442 1.205 1
1 837 . 10 1 1 A 72 72 ARG H H 72 9.000 8.969 0.031 1
1 838 . 10 1 1 A 72 72 ARG HA H 72 3.619 3.975 -0.356 1
1 850 . 10 1 1 A 72 72 ARG C C 72 177.530 178.705 -1.175 1
1 851 . 10 1 1 A 72 72 ARG CA C 72 60.211 58.979 1.232 1
1 852 . 10 1 1 A 72 72 ARG CB C 72 30.433 29.917 0.516 1
1 856 . 10 1 1 A 72 72 ARG N N 72 117.747 116.703 1.044 1
1 860 . 10 1 1 A 73 73 GLU H H 73 7.840 7.739 0.101 1
1 861 . 10 1 1 A 73 73 GLU HA H 73 4.245 4.072 0.173 1
1 866 . 10 1 1 A 73 73 GLU C C 73 180.139 179.090 1.049 1
1 867 . 10 1 1 A 73 73 GLU CA C 73 59.071 58.677 0.394 1
1 868 . 10 1 1 A 73 73 GLU CB C 73 30.230 29.699 0.531 1
1 870 . 10 1 1 A 73 73 GLU N N 73 116.639 119.142 -2.503 1
1 871 . 10 1 1 A 74 74 LEU H H 74 7.693 7.885 -0.192 1
1 872 . 10 1 1 A 74 74 LEU HA H 74 4.324 4.064 0.260 1
1 882 . 10 1 1 A 74 74 LEU C C 74 177.000 178.193 -1.193 1
1 883 . 10 1 1 A 74 74 LEU CA C 74 58.123 58.112 0.011 1
1 884 . 10 1 1 A 74 74 LEU CB C 74 42.242 41.758 0.484 1
1 888 . 10 1 1 A 74 74 LEU N N 74 120.218 122.077 -1.859 1
1 889 . 10 1 1 A 75 75 LEU H H 75 8.731 8.622 0.109 1
1 890 . 10 1 1 A 75 75 LEU HA H 75 3.904 3.935 -0.031 1
1 900 . 10 1 1 A 75 75 LEU C C 75 178.122 177.958 0.164 1
1 901 . 10 1 1 A 75 75 LEU CA C 75 58.462 58.100 0.362 1
1 902 . 10 1 1 A 75 75 LEU CB C 75 42.400 40.722 1.678 1
1 906 . 10 1 1 A 75 75 LEU N N 75 121.211 119.689 1.522 1
1 907 . 10 1 1 A 76 76 ASP H H 76 8.703 7.856 0.847 1
1 908 . 10 1 1 A 76 76 ASP HA H 76 4.497 4.265 0.232 1
1 911 . 10 1 1 A 76 76 ASP C C 76 180.101 178.345 1.756 1
1 912 . 10 1 1 A 76 76 ASP CA C 76 57.325 57.883 -0.558 1
1 913 . 10 1 1 A 76 76 ASP CB C 76 39.936 41.478 -1.542 1
1 914 . 10 1 1 A 76 76 ASP N N 76 117.466 118.793 -1.327 1
1 915 . 10 1 1 A 77 77 LEU H H 77 8.019 7.903 0.116 1
1 916 . 10 1 1 A 77 77 LEU HA H 77 4.282 4.040 0.242 1
1 926 . 10 1 1 A 77 77 LEU C C 77 179.840 178.342 1.498 1
1 927 . 10 1 1 A 77 77 LEU CA C 77 58.417 58.484 -0.067 1
1 928 . 10 1 1 A 77 77 LEU CB C 77 42.856 41.699 1.157 1
1 932 . 10 1 1 A 77 77 LEU N N 77 122.891 120.200 2.691 1
1 933 . 10 1 1 A 78 78 ILE H H 78 8.281 8.220 0.061 1
1 934 . 10 1 1 A 78 78 ILE HA H 78 3.756 3.454 0.302 1
1 944 . 10 1 1 A 78 78 ILE C C 78 177.655 178.179 -0.524 1
1 945 . 10 1 1 A 78 78 ILE CA C 78 64.638 65.061 -0.423 1
1 946 . 10 1 1 A 78 78 ILE CB C 78 37.325 37.450 -0.125 1
1 950 . 10 1 1 A 78 78 ILE N N 78 119.758 120.325 -0.567 1
1 951 . 10 1 1 A 79 79 ASN H H 79 8.880 9.138 -0.258 1
1 952 . 10 1 1 A 79 79 ASN HA H 79 4.918 4.463 0.455 1
1 957 . 10 1 1 A 79 79 ASN C C 79 179.481 179.178 0.303 1
1 958 . 10 1 1 A 79 79 ASN CA C 79 55.446 56.294 -0.848 1
1 959 . 10 1 1 A 79 79 ASN CB C 79 37.299 37.652 -0.353 1
1 960 . 10 1 1 A 79 79 ASN N N 79 117.848 118.189 -0.341 1
1 962 . 10 1 1 A 80 80 GLY H H 80 8.441 8.688 -0.247 1
1 963 . 10 1 1 A 80 80 GLY HA2 H 80 4.036 3.806 0.230 1
1 964 . 10 1 1 A 80 80 GLY HA3 H 80 4.036 3.807 0.229 1
1 965 . 10 1 1 A 80 80 GLY C C 80 175.746 176.391 -0.645 1
1 966 . 10 1 1 A 80 80 GLY CA C 80 47.065 46.987 0.078 1
1 967 . 10 1 1 A 80 80 GLY N N 80 110.120 108.822 1.298 1
1 968 . 10 1 1 A 81 81 ALA H H 81 7.604 8.159 -0.555 1
1 969 . 10 1 1 A 81 81 ALA HA H 81 4.467 3.976 0.491 1
1 973 . 10 1 1 A 81 81 ALA C C 81 180.565 180.437 0.128 1
1 974 . 10 1 1 A 81 81 ALA CA C 81 54.298 54.767 -0.469 1
1 975 . 10 1 1 A 81 81 ALA CB C 81 18.530 18.598 -0.068 1
1 976 . 10 1 1 A 81 81 ALA N N 81 124.070 125.105 -1.035 1
1 977 . 10 1 1 A 82 82 LEU H H 82 8.299 8.690 -0.391 1
1 978 . 10 1 1 A 82 82 LEU HA H 82 4.219 4.034 0.185 1
1 988 . 10 1 1 A 82 82 LEU C C 82 178.837 179.436 -0.599 1
1 989 . 10 1 1 A 82 82 LEU CA C 82 56.967 57.594 -0.627 1
1 990 . 10 1 1 A 82 82 LEU CB C 82 42.610 41.250 1.360 1
1 994 . 10 1 1 A 82 82 LEU N N 82 119.823 118.810 1.013 1
1 995 . 10 1 1 A 83 83 ALA H H 83 7.964 7.732 0.232 1
1 996 . 10 1 1 A 83 83 ALA HA H 83 4.298 4.073 0.225 1
1 1000 . 10 1 1 A 83 83 ALA C C 83 178.739 178.608 0.131 1
1 1001 . 10 1 1 A 83 83 ALA CA C 83 53.965 54.611 -0.646 1
1 1002 . 10 1 1 A 83 83 ALA CB C 83 18.917 18.169 0.748 1
1 1003 . 10 1 1 A 83 83 ALA N N 83 121.306 122.023 -0.717 1
1 1004 . 10 1 1 A 84 84 GLU H H 84 7.746 7.798 -0.052 1
1 1005 . 10 1 1 A 84 84 GLU HA H 84 4.396 4.286 0.110 1
1 1010 . 10 1 1 A 84 84 GLU C C 84 176.347 177.084 -0.737 1
1 1011 . 10 1 1 A 84 84 GLU CA C 84 56.739 57.243 -0.504 1
1 1012 . 10 1 1 A 84 84 GLU CB C 84 30.126 29.844 0.282 1
1 1014 . 10 1 1 A 84 84 GLU N N 84 117.080 115.337 1.743 1
1 1015 . 10 1 1 A 85 85 ALA H H 85 7.832 7.404 0.428 1
1 1016 . 10 1 1 A 85 85 ALA HA H 85 4.485 4.361 0.124 1
1 1020 . 10 1 1 A 85 85 ALA C C 85 176.564 176.219 0.345 1
1 1021 . 10 1 1 A 85 85 ALA CA C 85 52.485 51.673 0.812 1
1 1022 . 10 1 1 A 85 85 ALA CB C 85 19.529 17.617 1.912 1
1 1023 . 10 1 1 A 85 85 ALA N N 85 124.010 123.171 0.839 1
1 1 . 11 1 1 A 2 2 ALA HA H 2 4.297 4.886 -0.589 1
1 5 . 11 1 1 A 2 2 ALA C C 2 173.708 175.830 -2.122 1
1 6 . 11 1 1 A 2 2 ALA CA C 2 51.945 50.548 1.397 1
1 7 . 11 1 1 A 2 2 ALA CB C 2 19.979 20.047 -0.068 1
1 8 . 11 1 1 A 3 3 THR H H 3 8.680 8.820 -0.140 1
1 9 . 11 1 1 A 3 3 THR HA H 3 4.411 4.522 -0.111 1
1 14 . 11 1 1 A 3 3 THR C C 3 172.914 174.021 -1.107 1
1 15 . 11 1 1 A 3 3 THR CA C 3 62.665 63.246 -0.581 1
1 16 . 11 1 1 A 3 3 THR CB C 3 69.902 69.090 0.812 1
1 18 . 11 1 1 A 3 3 THR N N 3 117.458 119.294 -1.836 1
1 19 . 11 1 1 A 4 4 LEU H H 4 8.145 8.743 -0.598 1
1 20 . 11 1 1 A 4 4 LEU HA H 4 4.384 4.540 -0.156 1
1 30 . 11 1 1 A 4 4 LEU C C 4 177.176 174.780 2.396 1
1 31 . 11 1 1 A 4 4 LEU CA C 4 54.765 54.877 -0.112 1
1 32 . 11 1 1 A 4 4 LEU CB C 4 42.790 43.395 -0.605 1
1 36 . 11 1 1 A 4 4 LEU N N 4 124.380 129.592 -5.212 1
1 37 . 11 1 1 A 5 5 LEU H H 5 9.419 8.410 1.009 1
1 38 . 11 1 1 A 5 5 LEU HA H 5 4.536 5.049 -0.513 1
1 48 . 11 1 1 A 5 5 LEU C C 5 177.849 176.923 0.926 1
1 49 . 11 1 1 A 5 5 LEU CA C 5 55.488 53.223 2.265 1
1 50 . 11 1 1 A 5 5 LEU CB C 5 42.700 42.953 -0.253 1
1 54 . 11 1 1 A 5 5 LEU N N 5 124.415 125.717 -1.302 1
1 55 . 11 1 1 A 6 6 THR H H 6 8.995 9.054 -0.059 1
1 56 . 11 1 1 A 6 6 THR HA H 6 4.783 4.763 0.020 1
1 61 . 11 1 1 A 6 6 THR C C 6 175.943 176.208 -0.265 1
1 62 . 11 1 1 A 6 6 THR CA C 6 59.961 60.069 -0.108 1
1 63 . 11 1 1 A 6 6 THR CB C 6 72.429 71.314 1.115 1
1 65 . 11 1 1 A 6 6 THR N N 6 114.757 116.296 -1.539 1
1 66 . 11 1 1 A 7 7 THR H H 7 8.851 8.983 -0.132 1
1 67 . 11 1 1 A 7 7 THR HA H 7 3.881 3.894 -0.013 1
1 72 . 11 1 1 A 7 7 THR C C 7 176.566 175.760 0.806 1
1 73 . 11 1 1 A 7 7 THR CA C 7 67.277 67.135 0.142 1
1 74 . 11 1 1 A 7 7 THR CB C 7 68.542 68.766 -0.224 1
1 76 . 11 1 1 A 7 7 THR N N 7 115.540 116.590 -1.050 1
1 77 . 11 1 1 A 8 8 ASP H H 8 8.279 8.394 -0.115 1
1 78 . 11 1 1 A 8 8 ASP HA H 8 4.638 4.321 0.317 1
1 81 . 11 1 1 A 8 8 ASP C C 8 178.553 178.143 0.410 1
1 82 . 11 1 1 A 8 8 ASP CA C 8 57.738 58.024 -0.286 1
1 83 . 11 1 1 A 8 8 ASP CB C 8 41.219 41.923 -0.704 1
1 84 . 11 1 1 A 8 8 ASP N N 8 119.967 121.495 -1.528 1
1 85 . 11 1 1 A 9 9 ASP H H 9 7.905 7.808 0.097 1
1 86 . 11 1 1 A 9 9 ASP HA H 9 4.573 4.488 0.085 1
1 89 . 11 1 1 A 9 9 ASP C C 9 179.411 178.880 0.531 1
1 90 . 11 1 1 A 9 9 ASP CA C 9 57.667 57.480 0.187 1
1 91 . 11 1 1 A 9 9 ASP CB C 9 41.453 40.303 1.150 1
1 92 . 11 1 1 A 9 9 ASP N N 9 120.222 118.842 1.380 1
1 93 . 11 1 1 A 10 10 LEU H H 10 8.097 8.194 -0.097 1
1 94 . 11 1 1 A 10 10 LEU HA H 10 4.225 4.202 0.023 1
1 104 . 11 1 1 A 10 10 LEU C C 10 177.475 178.462 -0.987 1
1 105 . 11 1 1 A 10 10 LEU CA C 10 57.959 58.227 -0.268 1
1 106 . 11 1 1 A 10 10 LEU CB C 10 42.013 41.545 0.468 1
1 110 . 11 1 1 A 10 10 LEU N N 10 121.315 122.107 -0.792 1
1 111 . 11 1 1 A 11 11 ARG H H 11 8.841 8.596 0.245 1
1 112 . 11 1 1 A 11 11 ARG HA H 11 3.524 3.893 -0.369 1
1 120 . 11 1 1 A 11 11 ARG C C 11 177.728 178.616 -0.888 1
1 121 . 11 1 1 A 11 11 ARG CA C 11 60.662 59.797 0.865 1
1 122 . 11 1 1 A 11 11 ARG CB C 11 30.618 29.932 0.686 1
1 126 . 11 1 1 A 11 11 ARG N N 11 119.774 119.696 0.078 1
1 128 . 11 1 1 A 12 12 ARG H H 12 7.988 7.921 0.067 1
1 129 . 11 1 1 A 12 12 ARG HA H 12 4.041 4.045 -0.004 1
1 137 . 11 1 1 A 12 12 ARG C C 12 178.452 178.283 0.169 1
1 138 . 11 1 1 A 12 12 ARG CA C 12 59.748 59.378 0.370 1
1 139 . 11 1 1 A 12 12 ARG CB C 12 30.414 30.291 0.123 1
1 143 . 11 1 1 A 12 12 ARG N N 12 115.529 119.551 -4.022 1
1 145 . 11 1 1 A 13 13 ALA H H 13 7.722 7.562 0.160 1
1 146 . 11 1 1 A 13 13 ALA HA H 13 4.412 4.174 0.238 1
1 150 . 11 1 1 A 13 13 ALA C C 13 180.069 180.246 -0.177 1
1 151 . 11 1 1 A 13 13 ALA CA C 13 54.990 55.041 -0.051 1
1 152 . 11 1 1 A 13 13 ALA CB C 13 18.654 18.128 0.526 1
1 153 . 11 1 1 A 13 13 ALA N N 13 119.900 121.917 -2.017 1
1 154 . 11 1 1 A 14 14 LEU H H 14 8.419 7.879 0.540 1
1 155 . 11 1 1 A 14 14 LEU HA H 14 4.418 4.092 0.326 1
1 165 . 11 1 1 A 14 14 LEU C C 14 180.574 179.371 1.203 1
1 166 . 11 1 1 A 14 14 LEU CA C 14 57.488 58.038 -0.550 1
1 167 . 11 1 1 A 14 14 LEU CB C 14 42.008 41.736 0.272 1
1 171 . 11 1 1 A 14 14 LEU N N 14 119.013 118.354 0.659 1
1 172 . 11 1 1 A 15 15 VAL H H 15 8.501 8.363 0.138 1
1 173 . 11 1 1 A 15 15 VAL HA H 15 3.929 3.872 0.057 1
1 181 . 11 1 1 A 15 15 VAL C C 15 178.956 178.148 0.808 1
1 182 . 11 1 1 A 15 15 VAL CA C 15 66.056 67.059 -1.003 1
1 183 . 11 1 1 A 15 15 VAL CB C 15 32.053 31.343 0.710 1
1 186 . 11 1 1 A 15 15 VAL N N 15 120.534 120.399 0.135 1
1 187 . 11 1 1 A 16 16 GLU H H 16 8.238 8.596 -0.358 1
1 188 . 11 1 1 A 16 16 GLU HA H 16 4.216 4.021 0.195 1
1 193 . 11 1 1 A 16 16 GLU C C 16 178.530 178.596 -0.066 1
1 194 . 11 1 1 A 16 16 GLU CA C 16 58.963 59.552 -0.589 1
1 195 . 11 1 1 A 16 16 GLU CB C 16 29.866 29.292 0.574 1
1 197 . 11 1 1 A 16 16 GLU N N 16 119.771 120.189 -0.418 1
1 198 . 11 1 1 A 17 17 SER H H 17 7.808 8.012 -0.204 1
1 199 . 11 1 1 A 17 17 SER HA H 17 4.581 4.346 0.235 1
1 202 . 11 1 1 A 17 17 SER C C 17 174.239 176.150 -1.911 1
1 203 . 11 1 1 A 17 17 SER CA C 17 59.839 61.259 -1.420 1
1 204 . 11 1 1 A 17 17 SER CB C 17 64.127 63.113 1.014 1
1 205 . 11 1 1 A 17 17 SER N N 17 113.608 115.757 -2.149 1
1 206 . 11 1 1 A 18 18 ALA H H 18 7.809 8.309 -0.500 1
1 207 . 11 1 1 A 18 18 ALA HA H 18 4.358 4.460 -0.102 1
1 211 . 11 1 1 A 18 18 ALA C C 18 178.239 178.359 -0.120 1
1 212 . 11 1 1 A 18 18 ALA CA C 18 52.975 51.731 1.244 1
1 213 . 11 1 1 A 18 18 ALA CB C 18 19.808 19.446 0.362 1
1 214 . 11 1 1 A 18 18 ALA N N 18 123.180 120.172 3.008 1
1 215 . 11 1 1 A 19 19 GLY H H 19 8.241 8.221 0.020 1
1 216 . 11 1 1 A 19 19 GLY HA2 H 19 4.060 3.946 0.114 1
1 217 . 11 1 1 A 19 19 GLY HA3 H 19 4.060 3.956 0.104 1
1 218 . 11 1 1 A 19 19 GLY C C 19 174.390 174.718 -0.328 1
1 219 . 11 1 1 A 19 19 GLY CA C 19 45.570 45.965 -0.395 1
1 220 . 11 1 1 A 19 19 GLY N N 19 107.414 107.592 -0.178 1
1 221 . 11 1 1 A 20 20 GLU H H 20 8.501 8.862 -0.361 1
1 222 . 11 1 1 A 20 20 GLU HA H 20 4.481 4.425 0.056 1
1 227 . 11 1 1 A 20 20 GLU C C 20 176.860 177.498 -0.638 1
1 228 . 11 1 1 A 20 20 GLU CA C 20 56.810 55.971 0.839 1
1 229 . 11 1 1 A 20 20 GLU CB C 20 30.060 29.171 0.889 1
1 231 . 11 1 1 A 20 20 GLU N N 20 120.517 124.192 -3.675 1
1 232 . 11 1 1 A 21 21 THR H H 21 8.251 7.301 0.950 1
1 233 . 11 1 1 A 21 21 THR HA H 21 4.526 4.008 0.518 1
1 238 . 11 1 1 A 21 21 THR C C 21 174.520 174.643 -0.123 1
1 239 . 11 1 1 A 21 21 THR CA C 21 61.836 65.965 -4.129 1
1 240 . 11 1 1 A 21 21 THR CB C 21 70.007 68.948 1.059 1
1 242 . 11 1 1 A 21 21 THR N N 21 113.989 114.745 -0.756 1
1 243 . 11 1 1 A 22 22 ASP H H 22 8.497 7.915 0.582 1
1 244 . 11 1 1 A 22 22 ASP HA H 22 4.737 4.728 0.009 1
1 247 . 11 1 1 A 22 22 ASP C C 22 176.877 176.037 0.840 1
1 248 . 11 1 1 A 22 22 ASP CA C 22 54.739 54.161 0.578 1
1 249 . 11 1 1 A 22 22 ASP CB C 22 41.047 40.166 0.881 1
1 250 . 11 1 1 A 22 22 ASP N N 22 122.136 118.753 3.383 1
1 251 . 11 1 1 A 23 23 GLY H H 23 8.499 8.339 0.160 1
1 252 . 11 1 1 A 23 23 GLY HA2 H 23 4.087 4.186 -0.099 1
1 253 . 11 1 1 A 23 23 GLY HA3 H 23 4.087 4.259 -0.172 1
1 254 . 11 1 1 A 23 23 GLY C C 23 174.775 173.548 1.227 1
1 255 . 11 1 1 A 23 23 GLY CA C 23 45.815 45.668 0.147 1
1 256 . 11 1 1 A 23 23 GLY N N 23 109.353 110.952 -1.599 1
1 257 . 11 1 1 A 24 24 THR H H 24 8.151 8.285 -0.134 1
1 258 . 11 1 1 A 24 24 THR HA H 24 4.345 4.666 -0.321 1
1 263 . 11 1 1 A 24 24 THR C C 24 174.220 174.254 -0.034 1
1 264 . 11 1 1 A 24 24 THR CA C 24 63.084 61.147 1.937 1
1 265 . 11 1 1 A 24 24 THR CB C 24 69.889 67.411 2.478 1
1 267 . 11 1 1 A 24 24 THR N N 24 115.906 114.739 1.167 1
1 268 . 11 1 1 A 25 25 ASP H H 25 8.617 8.349 0.268 1
1 269 . 11 1 1 A 25 25 ASP HA H 25 4.726 4.288 0.438 1
1 272 . 11 1 1 A 25 25 ASP C C 25 176.172 176.216 -0.044 1
1 273 . 11 1 1 A 25 25 ASP CA C 25 54.459 55.191 -0.732 1
1 274 . 11 1 1 A 25 25 ASP CB C 25 41.038 38.823 2.215 1
1 275 . 11 1 1 A 25 25 ASP N N 25 123.841 124.547 -0.706 1
1 276 . 11 1 1 A 26 26 LEU H H 26 8.468 7.996 0.472 1
1 277 . 11 1 1 A 26 26 LEU HA H 26 4.375 4.115 0.260 1
1 287 . 11 1 1 A 26 26 LEU C C 26 176.307 176.404 -0.097 1
1 288 . 11 1 1 A 26 26 LEU CA C 26 54.128 54.229 -0.101 1
1 289 . 11 1 1 A 26 26 LEU CB C 26 41.100 41.611 -0.511 1
1 293 . 11 1 1 A 26 26 LEU N N 26 123.615 117.513 6.102 1
1 294 . 11 1 1 A 27 27 SER H H 27 8.207 7.630 0.577 1
1 295 . 11 1 1 A 27 27 SER HA H 27 4.303 4.295 0.008 1
1 298 . 11 1 1 A 27 27 SER C C 27 175.019 175.507 -0.488 1
1 299 . 11 1 1 A 27 27 SER CA C 27 59.818 60.219 -0.401 1
1 300 . 11 1 1 A 27 27 SER CB C 27 64.198 63.188 1.010 1
1 301 . 11 1 1 A 27 27 SER N N 27 115.102 114.785 0.317 1
1 302 . 11 1 1 A 28 28 GLY H H 28 8.581 8.823 -0.242 1
1 303 . 11 1 1 A 28 28 GLY HA2 H 28 4.244 3.928 0.316 1
1 304 . 11 1 1 A 28 28 GLY HA3 H 28 3.890 3.930 -0.040 1
1 305 . 11 1 1 A 28 28 GLY C C 28 174.264 173.040 1.224 1
1 306 . 11 1 1 A 28 28 GLY CA C 28 45.393 46.820 -1.427 1
1 307 . 11 1 1 A 28 28 GLY N N 28 111.287 112.493 -1.206 1
1 308 . 11 1 1 A 29 29 ASP H H 29 8.680 8.531 0.149 1
1 309 . 11 1 1 A 29 29 ASP HA H 29 4.859 5.442 -0.583 1
1 312 . 11 1 1 A 29 29 ASP C C 29 176.461 175.453 1.008 1
1 313 . 11 1 1 A 29 29 ASP CA C 29 54.284 53.354 0.930 1
1 314 . 11 1 1 A 29 29 ASP CB C 29 39.716 42.807 -3.091 1
1 315 . 11 1 1 A 29 29 ASP N N 29 123.263 124.645 -1.382 1
1 316 . 11 1 1 A 30 30 PHE H H 30 8.064 8.615 -0.551 1
1 317 . 11 1 1 A 30 30 PHE HA H 30 4.766 4.809 -0.043 1
1 325 . 11 1 1 A 30 30 PHE C C 30 175.486 176.562 -1.076 1
1 326 . 11 1 1 A 30 30 PHE CA C 30 57.460 56.993 0.467 1
1 327 . 11 1 1 A 30 30 PHE CB C 30 40.521 39.448 1.073 1
1 333 . 11 1 1 A 30 30 PHE N N 30 122.340 119.823 2.517 1
1 334 . 11 1 1 A 31 31 LEU H H 31 7.535 7.488 0.047 1
1 335 . 11 1 1 A 31 31 LEU HA H 31 3.309 3.600 -0.291 1
1 345 . 11 1 1 A 31 31 LEU C C 31 176.442 177.707 -1.265 1
1 346 . 11 1 1 A 31 31 LEU CA C 31 57.841 57.188 0.653 1
1 347 . 11 1 1 A 31 31 LEU CB C 31 42.121 41.667 0.454 1
1 351 . 11 1 1 A 31 31 LEU N N 31 118.974 121.338 -2.364 1
1 352 . 11 1 1 A 32 32 ASP H H 32 8.081 7.509 0.572 1
1 353 . 11 1 1 A 32 32 ASP HA H 32 5.057 4.566 0.491 1
1 356 . 11 1 1 A 32 32 ASP C C 32 176.035 176.213 -0.178 1
1 357 . 11 1 1 A 32 32 ASP CA C 32 53.745 54.975 -1.230 1
1 358 . 11 1 1 A 32 32 ASP CB C 32 41.757 41.791 -0.034 1
1 359 . 11 1 1 A 32 32 ASP N N 32 111.858 116.977 -5.119 1
1 360 . 11 1 1 A 33 33 LEU H H 33 7.223 7.253 -0.030 1
1 361 . 11 1 1 A 33 33 LEU HA H 33 4.315 4.170 0.145 1
1 371 . 11 1 1 A 33 33 LEU C C 33 174.834 176.285 -1.451 1
1 372 . 11 1 1 A 33 33 LEU CA C 33 54.484 54.989 -0.505 1
1 373 . 11 1 1 A 33 33 LEU CB C 33 42.469 42.069 0.400 1
1 377 . 11 1 1 A 33 33 LEU N N 33 122.072 121.719 0.353 1
1 378 . 11 1 1 A 34 34 ARG H H 34 8.486 8.786 -0.300 1
1 379 . 11 1 1 A 34 34 ARG HA H 34 4.746 4.535 0.211 1
1 387 . 11 1 1 A 34 34 ARG C C 34 179.695 177.435 2.260 1
1 388 . 11 1 1 A 34 34 ARG CA C 34 55.460 56.429 -0.969 1
1 389 . 11 1 1 A 34 34 ARG CB C 34 29.981 30.222 -0.241 1
1 393 . 11 1 1 A 34 34 ARG N N 34 116.268 124.473 -8.205 1
1 395 . 11 1 1 A 35 35 PHE H H 35 8.453 8.368 0.085 1
1 396 . 11 1 1 A 35 35 PHE HA H 35 4.398 4.160 0.238 1
1 404 . 11 1 1 A 35 35 PHE C C 35 178.728 178.131 0.597 1
1 405 . 11 1 1 A 35 35 PHE CA C 35 62.994 61.324 1.670 1
1 406 . 11 1 1 A 35 35 PHE CB C 35 37.964 38.507 -0.543 1
1 412 . 11 1 1 A 35 35 PHE N N 35 123.273 122.509 0.764 1
1 413 . 11 1 1 A 36 36 GLU H H 36 9.540 8.553 0.987 1
1 414 . 11 1 1 A 36 36 GLU HA H 36 4.357 4.300 0.057 1
1 419 . 11 1 1 A 36 36 GLU C C 36 178.636 178.415 0.221 1
1 420 . 11 1 1 A 36 36 GLU CA C 36 59.160 60.401 -1.241 1
1 421 . 11 1 1 A 36 36 GLU CB C 36 29.610 29.078 0.532 1
1 423 . 11 1 1 A 36 36 GLU N N 36 117.074 118.670 -1.596 1
1 424 . 11 1 1 A 37 37 ASP H H 37 7.532 7.782 -0.250 1
1 425 . 11 1 1 A 37 37 ASP HA H 37 4.811 4.470 0.341 1
1 428 . 11 1 1 A 37 37 ASP C C 37 177.974 177.498 0.476 1
1 429 . 11 1 1 A 37 37 ASP CA C 37 56.496 56.454 0.042 1
1 430 . 11 1 1 A 37 37 ASP CB C 37 41.271 41.196 0.075 1
1 431 . 11 1 1 A 37 37 ASP N N 37 118.229 119.482 -1.253 1
1 432 . 11 1 1 A 38 38 ILE H H 38 7.728 7.481 0.247 1
1 433 . 11 1 1 A 38 38 ILE HA H 38 4.676 4.360 0.316 1
1 443 . 11 1 1 A 38 38 ILE C C 38 176.102 176.968 -0.866 1
1 444 . 11 1 1 A 38 38 ILE CA C 38 61.973 60.421 1.552 1
1 445 . 11 1 1 A 38 38 ILE CB C 38 38.682 37.609 1.073 1
1 449 . 11 1 1 A 38 38 ILE N N 38 112.806 112.047 0.759 1
1 450 . 11 1 1 A 39 39 GLY H H 39 7.735 8.280 -0.545 1
1 451 . 11 1 1 A 39 39 GLY HA2 H 39 4.271 3.973 0.298 1
1 452 . 11 1 1 A 39 39 GLY HA3 H 39 3.898 3.985 -0.087 1
1 453 . 11 1 1 A 39 39 GLY C C 39 174.444 174.258 0.186 1
1 454 . 11 1 1 A 39 39 GLY CA C 39 46.438 45.209 1.229 1
1 455 . 11 1 1 A 39 39 GLY N N 39 107.120 111.014 -3.894 1
1 456 . 11 1 1 A 40 40 TYR H H 40 8.081 8.047 0.034 1
1 457 . 11 1 1 A 40 40 TYR HA H 40 4.586 4.645 -0.059 1
1 464 . 11 1 1 A 40 40 TYR C C 40 174.461 174.863 -0.402 1
1 465 . 11 1 1 A 40 40 TYR CA C 40 58.185 58.258 -0.073 1
1 466 . 11 1 1 A 40 40 TYR CB C 40 40.424 39.409 1.015 1
1 471 . 11 1 1 A 40 40 TYR N N 40 121.688 120.518 1.170 1
1 472 . 11 1 1 A 41 41 ASP H H 41 8.040 8.871 -0.831 1
1 473 . 11 1 1 A 41 41 ASP HA H 41 4.727 5.578 -0.851 1
1 476 . 11 1 1 A 41 41 ASP C C 41 175.980 176.776 -0.796 1
1 477 . 11 1 1 A 41 41 ASP CA C 41 52.812 52.899 -0.087 1
1 478 . 11 1 1 A 41 41 ASP CB C 41 42.068 44.234 -2.166 1
1 479 . 11 1 1 A 41 41 ASP N N 41 124.041 121.750 2.291 1
1 480 . 11 1 1 A 42 42 SER H H 42 8.561 9.221 -0.660 1
1 481 . 11 1 1 A 42 42 SER HA H 42 4.198 4.064 0.134 1
1 484 . 11 1 1 A 42 42 SER C C 42 176.472 176.583 -0.111 1
1 485 . 11 1 1 A 42 42 SER CA C 42 62.309 62.140 0.169 1
1 486 . 11 1 1 A 42 42 SER CB C 42 62.943 62.519 0.424 1
1 487 . 11 1 1 A 42 42 SER N N 42 114.493 118.659 -4.166 1
1 488 . 11 1 1 A 43 43 LEU H H 43 7.804 8.064 -0.260 1
1 489 . 11 1 1 A 43 43 LEU HA H 43 4.270 4.067 0.203 1
1 499 . 11 1 1 A 43 43 LEU C C 43 179.551 178.339 1.212 1
1 500 . 11 1 1 A 43 43 LEU CA C 43 58.369 58.037 0.332 1
1 501 . 11 1 1 A 43 43 LEU CB C 43 41.057 41.732 -0.675 1
1 505 . 11 1 1 A 43 43 LEU N N 43 122.459 124.339 -1.880 1
1 506 . 11 1 1 A 44 44 ALA H H 44 8.064 8.315 -0.251 1
1 507 . 11 1 1 A 44 44 ALA HA H 44 4.334 4.026 0.308 1
1 511 . 11 1 1 A 44 44 ALA C C 44 181.733 180.109 1.624 1
1 512 . 11 1 1 A 44 44 ALA CA C 44 54.987 55.215 -0.228 1
1 513 . 11 1 1 A 44 44 ALA CB C 44 18.500 18.334 0.166 1
1 514 . 11 1 1 A 44 44 ALA N N 44 123.223 120.961 2.262 1
1 515 . 11 1 1 A 45 45 LEU H H 45 8.422 8.238 0.184 1
1 516 . 11 1 1 A 45 45 LEU HA H 45 3.907 4.066 -0.159 1
1 526 . 11 1 1 A 45 45 LEU C C 45 178.613 178.757 -0.144 1
1 527 . 11 1 1 A 45 45 LEU CA C 45 58.419 57.579 0.840 1
1 528 . 11 1 1 A 45 45 LEU CB C 45 41.643 41.468 0.175 1
1 532 . 11 1 1 A 45 45 LEU N N 45 121.714 120.208 1.506 1
1 533 . 11 1 1 A 46 46 MET H H 46 8.344 8.138 0.206 1
1 534 . 11 1 1 A 46 46 MET HA H 46 4.259 4.048 0.211 1
1 539 . 11 1 1 A 46 46 MET C C 46 179.856 178.432 1.424 1
1 540 . 11 1 1 A 46 46 MET CA C 46 58.769 58.638 0.131 1
1 541 . 11 1 1 A 46 46 MET CB C 46 32.022 32.052 -0.030 1
1 543 . 11 1 1 A 46 46 MET N N 46 119.039 116.936 2.103 1
1 544 . 11 1 1 A 47 47 GLU H H 47 8.414 7.760 0.654 1
1 545 . 11 1 1 A 47 47 GLU HA H 47 4.257 4.081 0.176 1
1 550 . 11 1 1 A 47 47 GLU C C 47 179.208 179.330 -0.122 1
1 551 . 11 1 1 A 47 47 GLU CA C 47 59.504 59.148 0.356 1
1 552 . 11 1 1 A 47 47 GLU CB C 47 29.229 29.250 -0.021 1
1 554 . 11 1 1 A 47 47 GLU N N 47 121.231 120.968 0.263 1
1 555 . 11 1 1 A 48 48 THR H H 48 8.329 7.594 0.735 1
1 556 . 11 1 1 A 48 48 THR HA H 48 3.962 3.888 0.074 1
1 561 . 11 1 1 A 48 48 THR C C 48 176.334 176.411 -0.077 1
1 562 . 11 1 1 A 48 48 THR CA C 48 67.882 66.647 1.235 1
1 563 . 11 1 1 A 48 48 THR CB C 48 68.478 68.833 -0.355 1
1 565 . 11 1 1 A 48 48 THR N N 48 118.600 117.220 1.380 1
1 566 . 11 1 1 A 49 49 ALA H H 49 8.756 8.595 0.161 1
1 567 . 11 1 1 A 49 49 ALA HA H 49 3.963 3.940 0.023 1
1 571 . 11 1 1 A 49 49 ALA C C 49 178.615 179.294 -0.679 1
1 572 . 11 1 1 A 49 49 ALA CA C 49 56.227 55.398 0.829 1
1 573 . 11 1 1 A 49 49 ALA CB C 49 17.499 17.916 -0.417 1
1 574 . 11 1 1 A 49 49 ALA N N 49 123.599 122.917 0.682 1
1 575 . 11 1 1 A 50 50 ALA H H 50 8.191 8.390 -0.199 1
1 576 . 11 1 1 A 50 50 ALA HA H 50 4.281 4.422 -0.141 1
1 580 . 11 1 1 A 50 50 ALA C C 50 181.272 180.222 1.050 1
1 581 . 11 1 1 A 50 50 ALA CA C 50 55.488 55.214 0.274 1
1 582 . 11 1 1 A 50 50 ALA CB C 50 18.107 18.511 -0.404 1
1 583 . 11 1 1 A 50 50 ALA N N 50 119.558 120.385 -0.827 1
1 584 . 11 1 1 A 51 51 ARG H H 51 8.146 7.876 0.270 1
1 585 . 11 1 1 A 51 51 ARG HA H 51 4.257 4.024 0.233 1
1 593 . 11 1 1 A 51 51 ARG C C 51 179.815 178.553 1.262 1
1 594 . 11 1 1 A 51 51 ARG CA C 51 59.591 59.328 0.263 1
1 595 . 11 1 1 A 51 51 ARG CB C 51 30.400 29.788 0.612 1
1 599 . 11 1 1 A 51 51 ARG N N 51 119.722 118.787 0.935 1
1 601 . 11 1 1 A 52 52 LEU H H 52 8.432 8.192 0.240 1
1 602 . 11 1 1 A 52 52 LEU HA H 52 4.330 4.114 0.216 1
1 612 . 11 1 1 A 52 52 LEU C C 52 179.152 179.345 -0.193 1
1 613 . 11 1 1 A 52 52 LEU CA C 52 58.139 58.253 -0.114 1
1 614 . 11 1 1 A 52 52 LEU CB C 52 42.615 41.283 1.332 1
1 618 . 11 1 1 A 52 52 LEU N N 52 120.470 119.491 0.979 1
1 619 . 11 1 1 A 53 53 GLU H H 53 8.989 8.735 0.254 1
1 620 . 11 1 1 A 53 53 GLU HA H 53 4.105 3.998 0.107 1
1 625 . 11 1 1 A 53 53 GLU C C 53 179.370 178.987 0.383 1
1 626 . 11 1 1 A 53 53 GLU CA C 53 60.145 59.723 0.422 1
1 627 . 11 1 1 A 53 53 GLU CB C 53 29.184 29.370 -0.186 1
1 629 . 11 1 1 A 53 53 GLU N N 53 119.668 119.243 0.425 1
1 630 . 11 1 1 A 54 54 SER H H 54 8.028 7.979 0.049 1
1 631 . 11 1 1 A 54 54 SER HA H 54 4.392 4.168 0.224 1
1 634 . 11 1 1 A 54 54 SER C C 54 176.891 177.272 -0.381 1
1 635 . 11 1 1 A 54 54 SER CA C 54 61.162 61.352 -0.190 1
1 636 . 11 1 1 A 54 54 SER CB C 54 63.222 62.846 0.376 1
1 637 . 11 1 1 A 54 54 SER N N 54 112.842 115.079 -2.237 1
1 638 . 11 1 1 A 55 55 ARG H H 55 8.070 8.395 -0.325 1
1 639 . 11 1 1 A 55 55 ARG HA H 55 4.111 3.913 0.198 1
1 647 . 11 1 1 A 55 55 ARG C C 55 177.830 177.750 0.080 1
1 648 . 11 1 1 A 55 55 ARG CA C 55 58.824 59.011 -0.187 1
1 649 . 11 1 1 A 55 55 ARG CB C 55 30.829 29.841 0.988 1
1 653 . 11 1 1 A 55 55 ARG N N 55 120.550 121.670 -1.120 1
1 655 . 11 1 1 A 56 56 TYR H H 56 8.171 7.752 0.419 1
1 656 . 11 1 1 A 56 56 TYR HA H 56 4.685 4.634 0.051 1
1 663 . 11 1 1 A 56 56 TYR C C 56 176.027 175.710 0.317 1
1 664 . 11 1 1 A 56 56 TYR CA C 56 59.110 57.855 1.255 1
1 665 . 11 1 1 A 56 56 TYR CB C 56 39.339 38.703 0.636 1
1 670 . 11 1 1 A 56 56 TYR N N 56 113.561 115.243 -1.682 1
1 671 . 11 1 1 A 57 57 GLY H H 57 7.998 8.320 -0.322 1
1 672 . 11 1 1 A 57 57 GLY HA2 H 57 4.105 3.984 0.121 1
1 673 . 11 1 1 A 57 57 GLY HA3 H 57 4.105 3.994 0.111 1
1 674 . 11 1 1 A 57 57 GLY C C 57 174.600 173.688 0.912 1
1 675 . 11 1 1 A 57 57 GLY CA C 57 47.349 46.971 0.378 1
1 676 . 11 1 1 A 57 57 GLY N N 57 109.470 110.053 -0.583 1
1 677 . 11 1 1 A 58 58 VAL H H 58 7.515 7.872 -0.357 1
1 678 . 11 1 1 A 58 58 VAL HA H 58 4.694 4.835 -0.141 1
1 686 . 11 1 1 A 58 58 VAL C C 58 174.016 173.927 0.089 1
1 687 . 11 1 1 A 58 58 VAL CA C 58 59.282 59.455 -0.173 1
1 688 . 11 1 1 A 58 58 VAL CB C 58 34.791 35.585 -0.794 1
1 691 . 11 1 1 A 58 58 VAL N N 58 112.406 119.183 -6.777 1
1 692 . 11 1 1 A 59 59 SER H H 59 8.489 8.777 -0.288 1
1 693 . 11 1 1 A 59 59 SER HA H 59 4.847 5.637 -0.790 1
1 696 . 11 1 1 A 59 59 SER C C 59 173.643 173.474 0.169 1
1 697 . 11 1 1 A 59 59 SER CA C 59 57.213 56.850 0.363 1
1 698 . 11 1 1 A 59 59 SER CB C 59 64.285 65.836 -1.551 1
1 699 . 11 1 1 A 59 59 SER N N 59 116.724 116.853 -0.129 1
1 700 . 11 1 1 A 60 60 ILE H H 60 8.224 9.549 -1.325 1
1 701 . 11 1 1 A 60 60 ILE HA H 60 4.676 4.637 0.039 1
1 711 . 11 1 1 A 60 60 ILE CA C 60 57.702 57.468 0.234 1
1 712 . 11 1 1 A 60 60 ILE CB C 60 40.520 41.449 -0.929 1
1 716 . 11 1 1 A 60 60 ILE N N 60 125.582 124.011 1.571 1
1 717 . 11 1 1 A 61 61 PRO HA H 61 4.543 4.568 -0.025 1
1 724 . 11 1 1 A 61 61 PRO C C 61 177.547 177.201 0.346 1
1 725 . 11 1 1 A 61 61 PRO CA C 61 63.523 63.217 0.306 1
1 726 . 11 1 1 A 61 61 PRO CB C 61 32.704 31.819 0.885 1
1 729 . 11 1 1 A 62 62 ASP H H 62 8.857 8.806 0.051 1
1 730 . 11 1 1 A 62 62 ASP HA H 62 4.447 4.277 0.170 1
1 733 . 11 1 1 A 62 62 ASP C C 62 177.504 178.151 -0.647 1
1 734 . 11 1 1 A 62 62 ASP CA C 62 57.105 56.851 0.254 1
1 735 . 11 1 1 A 62 62 ASP CB C 62 40.668 39.755 0.913 1
1 736 . 11 1 1 A 62 62 ASP N N 62 123.624 124.862 -1.238 1
1 737 . 11 1 1 A 63 63 ASP H H 63 8.691 8.242 0.449 1
1 738 . 11 1 1 A 63 63 ASP HA H 63 4.508 4.421 0.087 1
1 741 . 11 1 1 A 63 63 ASP C C 63 177.468 178.730 -1.262 1
1 742 . 11 1 1 A 63 63 ASP CA C 63 55.267 57.295 -2.028 1
1 743 . 11 1 1 A 63 63 ASP CB C 63 39.691 41.389 -1.698 1
1 744 . 11 1 1 A 63 63 ASP N N 63 116.744 120.588 -3.844 1
1 745 . 11 1 1 A 64 64 VAL H H 64 7.388 7.791 -0.403 1
1 746 . 11 1 1 A 64 64 VAL HA H 64 3.789 3.554 0.235 1
1 754 . 11 1 1 A 64 64 VAL C C 64 177.793 177.971 -0.178 1
1 755 . 11 1 1 A 64 64 VAL CA C 64 65.251 66.302 -1.051 1
1 756 . 11 1 1 A 64 64 VAL CB C 64 32.347 31.327 1.020 1
1 759 . 11 1 1 A 64 64 VAL N N 64 119.303 119.145 0.158 1
1 760 . 11 1 1 A 65 65 ALA H H 65 8.212 8.449 -0.237 1
1 761 . 11 1 1 A 65 65 ALA HA H 65 3.967 4.052 -0.085 1
1 765 . 11 1 1 A 65 65 ALA C C 65 178.005 178.842 -0.837 1
1 766 . 11 1 1 A 65 65 ALA CA C 65 55.196 55.133 0.063 1
1 767 . 11 1 1 A 65 65 ALA CB C 65 18.373 18.453 -0.080 1
1 768 . 11 1 1 A 65 65 ALA N N 65 122.060 121.727 0.333 1
1 769 . 11 1 1 A 66 66 GLY H H 66 7.995 7.821 0.174 1
1 770 . 11 1 1 A 66 66 GLY HA2 H 66 4.133 3.960 0.173 1
1 771 . 11 1 1 A 66 66 GLY HA3 H 66 3.912 3.980 -0.068 1
1 772 . 11 1 1 A 66 66 GLY C C 66 174.615 174.784 -0.169 1
1 773 . 11 1 1 A 66 66 GLY CA C 66 45.925 45.428 0.497 1
1 774 . 11 1 1 A 66 66 GLY N N 66 99.445 105.161 -5.716 1
1 775 . 11 1 1 A 67 67 ARG H H 67 7.478 7.879 -0.401 1
1 776 . 11 1 1 A 67 67 ARG HA H 67 4.659 4.327 0.332 1
1 784 . 11 1 1 A 67 67 ARG C C 67 176.470 175.826 0.644 1
1 785 . 11 1 1 A 67 67 ARG CA C 67 55.647 57.235 -1.588 1
1 786 . 11 1 1 A 67 67 ARG CB C 67 31.843 30.521 1.322 1
1 790 . 11 1 1 A 67 67 ARG N N 67 116.761 120.467 -3.706 1
1 792 . 11 1 1 A 68 68 VAL H H 68 7.244 7.151 0.093 1
1 793 . 11 1 1 A 68 68 VAL HA H 68 4.437 4.177 0.260 1
1 801 . 11 1 1 A 68 68 VAL C C 68 175.250 175.432 -0.182 1
1 802 . 11 1 1 A 68 68 VAL CA C 68 61.919 61.814 0.105 1
1 803 . 11 1 1 A 68 68 VAL CB C 68 33.329 31.543 1.786 1
1 806 . 11 1 1 A 68 68 VAL N N 68 114.725 116.880 -2.155 1
1 807 . 11 1 1 A 69 69 ASP H H 69 9.180 9.026 0.154 1
1 808 . 11 1 1 A 69 69 ASP HA H 69 5.272 4.907 0.365 1
1 811 . 11 1 1 A 69 69 ASP C C 69 177.035 176.461 0.574 1
1 812 . 11 1 1 A 69 69 ASP CA C 69 55.862 56.808 -0.946 1
1 813 . 11 1 1 A 69 69 ASP CB C 69 44.421 42.614 1.807 1
1 814 . 11 1 1 A 69 69 ASP N N 69 120.929 127.172 -6.243 1
1 815 . 11 1 1 A 70 70 THR H H 70 7.490 7.790 -0.300 1
1 816 . 11 1 1 A 70 70 THR HA H 70 4.969 4.362 0.607 1
1 821 . 11 1 1 A 70 70 THR CA C 70 57.776 58.348 -0.572 1
1 822 . 11 1 1 A 70 70 THR CB C 70 71.416 70.031 1.385 1
1 824 . 11 1 1 A 70 70 THR N N 70 107.879 111.062 -3.183 1
1 825 . 11 1 1 A 71 71 PRO HA H 71 4.247 4.363 -0.116 1
1 832 . 11 1 1 A 71 71 PRO C C 71 177.413 178.190 -0.777 1
1 833 . 11 1 1 A 71 71 PRO CA C 71 65.812 65.338 0.474 1
1 834 . 11 1 1 A 71 71 PRO CB C 71 32.647 31.572 1.075 1
1 837 . 11 1 1 A 72 72 ARG H H 72 9.000 8.474 0.526 1
1 838 . 11 1 1 A 72 72 ARG HA H 72 3.619 3.967 -0.348 1
1 850 . 11 1 1 A 72 72 ARG C C 72 177.530 178.587 -1.057 1
1 851 . 11 1 1 A 72 72 ARG CA C 72 60.211 59.040 1.171 1
1 852 . 11 1 1 A 72 72 ARG CB C 72 30.433 29.887 0.546 1
1 856 . 11 1 1 A 72 72 ARG N N 72 117.747 116.605 1.142 1
1 860 . 11 1 1 A 73 73 GLU H H 73 7.840 7.927 -0.087 1
1 861 . 11 1 1 A 73 73 GLU HA H 73 4.245 4.028 0.217 1
1 866 . 11 1 1 A 73 73 GLU C C 73 180.139 179.374 0.765 1
1 867 . 11 1 1 A 73 73 GLU CA C 73 59.071 58.639 0.432 1
1 868 . 11 1 1 A 73 73 GLU CB C 73 30.230 29.533 0.697 1
1 870 . 11 1 1 A 73 73 GLU N N 73 116.639 119.394 -2.755 1
1 871 . 11 1 1 A 74 74 LEU H H 74 7.693 7.542 0.151 1
1 872 . 11 1 1 A 74 74 LEU HA H 74 4.324 4.050 0.274 1
1 882 . 11 1 1 A 74 74 LEU C C 74 177.000 178.154 -1.154 1
1 883 . 11 1 1 A 74 74 LEU CA C 74 58.123 58.074 0.049 1
1 884 . 11 1 1 A 74 74 LEU CB C 74 42.242 41.641 0.601 1
1 888 . 11 1 1 A 74 74 LEU N N 74 120.218 122.053 -1.835 1
1 889 . 11 1 1 A 75 75 LEU H H 75 8.731 8.401 0.330 1
1 890 . 11 1 1 A 75 75 LEU HA H 75 3.904 3.937 -0.033 1
1 900 . 11 1 1 A 75 75 LEU C C 75 178.122 178.025 0.097 1
1 901 . 11 1 1 A 75 75 LEU CA C 75 58.462 58.354 0.108 1
1 902 . 11 1 1 A 75 75 LEU CB C 75 42.400 41.382 1.018 1
1 906 . 11 1 1 A 75 75 LEU N N 75 121.211 119.762 1.449 1
1 907 . 11 1 1 A 76 76 ASP H H 76 8.703 8.513 0.190 1
1 908 . 11 1 1 A 76 76 ASP HA H 76 4.497 4.229 0.268 1
1 911 . 11 1 1 A 76 76 ASP C C 76 180.101 178.321 1.780 1
1 912 . 11 1 1 A 76 76 ASP CA C 76 57.325 57.701 -0.376 1
1 913 . 11 1 1 A 76 76 ASP CB C 76 39.936 41.717 -1.781 1
1 914 . 11 1 1 A 76 76 ASP N N 76 117.466 118.771 -1.305 1
1 915 . 11 1 1 A 77 77 LEU H H 77 8.019 7.999 0.020 1
1 916 . 11 1 1 A 77 77 LEU HA H 77 4.282 4.034 0.248 1
1 926 . 11 1 1 A 77 77 LEU C C 77 179.840 178.412 1.428 1
1 927 . 11 1 1 A 77 77 LEU CA C 77 58.417 58.475 -0.058 1
1 928 . 11 1 1 A 77 77 LEU CB C 77 42.856 41.706 1.150 1
1 932 . 11 1 1 A 77 77 LEU N N 77 122.891 120.132 2.759 1
1 933 . 11 1 1 A 78 78 ILE H H 78 8.281 8.139 0.142 1
1 934 . 11 1 1 A 78 78 ILE HA H 78 3.756 3.412 0.344 1
1 944 . 11 1 1 A 78 78 ILE C C 78 177.655 177.676 -0.021 1
1 945 . 11 1 1 A 78 78 ILE CA C 78 64.638 65.254 -0.616 1
1 946 . 11 1 1 A 78 78 ILE CB C 78 37.325 37.817 -0.492 1
1 950 . 11 1 1 A 78 78 ILE N N 78 119.758 119.958 -0.200 1
1 951 . 11 1 1 A 79 79 ASN H H 79 8.880 9.315 -0.435 1
1 952 . 11 1 1 A 79 79 ASN HA H 79 4.918 4.372 0.546 1
1 957 . 11 1 1 A 79 79 ASN C C 79 179.481 179.113 0.368 1
1 958 . 11 1 1 A 79 79 ASN CA C 79 55.446 56.240 -0.794 1
1 959 . 11 1 1 A 79 79 ASN CB C 79 37.299 37.742 -0.443 1
1 960 . 11 1 1 A 79 79 ASN N N 79 117.848 118.125 -0.277 1
1 962 . 11 1 1 A 80 80 GLY H H 80 8.441 8.653 -0.212 1
1 963 . 11 1 1 A 80 80 GLY HA2 H 80 4.036 3.803 0.233 1
1 964 . 11 1 1 A 80 80 GLY HA3 H 80 4.036 3.805 0.231 1
1 965 . 11 1 1 A 80 80 GLY C C 80 175.746 176.294 -0.548 1
1 966 . 11 1 1 A 80 80 GLY CA C 80 47.065 47.095 -0.030 1
1 967 . 11 1 1 A 80 80 GLY N N 80 110.120 109.246 0.874 1
1 968 . 11 1 1 A 81 81 ALA H H 81 7.604 7.984 -0.380 1
1 969 . 11 1 1 A 81 81 ALA HA H 81 4.467 3.974 0.493 1
1 973 . 11 1 1 A 81 81 ALA C C 81 180.565 180.135 0.430 1
1 974 . 11 1 1 A 81 81 ALA CA C 81 54.298 54.639 -0.341 1
1 975 . 11 1 1 A 81 81 ALA CB C 81 18.530 18.412 0.118 1
1 976 . 11 1 1 A 81 81 ALA N N 81 124.070 125.220 -1.150 1
1 977 . 11 1 1 A 82 82 LEU H H 82 8.299 8.519 -0.220 1
1 978 . 11 1 1 A 82 82 LEU HA H 82 4.219 3.815 0.404 1
1 988 . 11 1 1 A 82 82 LEU C C 82 178.837 178.804 0.033 1
1 989 . 11 1 1 A 82 82 LEU CA C 82 56.967 58.063 -1.096 1
1 990 . 11 1 1 A 82 82 LEU CB C 82 42.610 41.150 1.460 1
1 994 . 11 1 1 A 82 82 LEU N N 82 119.823 119.246 0.577 1
1 995 . 11 1 1 A 83 83 ALA H H 83 7.964 7.855 0.109 1
1 996 . 11 1 1 A 83 83 ALA HA H 83 4.298 4.107 0.191 1
1 1000 . 11 1 1 A 83 83 ALA C C 83 178.739 178.383 0.356 1
1 1001 . 11 1 1 A 83 83 ALA CA C 83 53.965 54.365 -0.400 1
1 1002 . 11 1 1 A 83 83 ALA CB C 83 18.917 18.209 0.708 1
1 1003 . 11 1 1 A 83 83 ALA N N 83 121.306 121.141 0.165 1
1 1004 . 11 1 1 A 84 84 GLU H H 84 7.746 7.851 -0.105 1
1 1005 . 11 1 1 A 84 84 GLU HA H 84 4.396 4.323 0.073 1
1 1010 . 11 1 1 A 84 84 GLU C C 84 176.347 177.810 -1.463 1
1 1011 . 11 1 1 A 84 84 GLU CA C 84 56.739 56.219 0.520 1
1 1012 . 11 1 1 A 84 84 GLU CB C 84 30.126 29.636 0.490 1
1 1014 . 11 1 1 A 84 84 GLU N N 84 117.080 118.068 -0.988 1
1 1015 . 11 1 1 A 85 85 ALA H H 85 7.832 7.512 0.320 1
1 1016 . 11 1 1 A 85 85 ALA HA H 85 4.485 4.345 0.140 1
1 1020 . 11 1 1 A 85 85 ALA C C 85 176.564 176.706 -0.142 1
1 1021 . 11 1 1 A 85 85 ALA CA C 85 52.485 51.453 1.032 1
1 1022 . 11 1 1 A 85 85 ALA CB C 85 19.529 18.428 1.101 1
1 1023 . 11 1 1 A 85 85 ALA N N 85 124.010 122.407 1.603 1
1 1 . 12 1 1 A 2 2 ALA HA H 2 4.297 5.183 -0.886 1
1 5 . 12 1 1 A 2 2 ALA C C 2 173.708 175.580 -1.872 1
1 6 . 12 1 1 A 2 2 ALA CA C 2 51.945 51.359 0.586 1
1 7 . 12 1 1 A 2 2 ALA CB C 2 19.979 20.642 -0.663 1
1 8 . 12 1 1 A 3 3 THR H H 3 8.680 9.014 -0.334 1
1 9 . 12 1 1 A 3 3 THR HA H 3 4.411 4.828 -0.417 1
1 14 . 12 1 1 A 3 3 THR C C 3 172.914 174.734 -1.820 1
1 15 . 12 1 1 A 3 3 THR CA C 3 62.665 62.327 0.338 1
1 16 . 12 1 1 A 3 3 THR CB C 3 69.902 69.826 0.076 1
1 18 . 12 1 1 A 3 3 THR N N 3 117.458 118.453 -0.995 1
1 19 . 12 1 1 A 4 4 LEU H H 4 8.145 8.498 -0.353 1
1 20 . 12 1 1 A 4 4 LEU HA H 4 4.384 4.173 0.211 1
1 30 . 12 1 1 A 4 4 LEU C C 4 177.176 176.929 0.247 1
1 31 . 12 1 1 A 4 4 LEU CA C 4 54.765 55.865 -1.100 1
1 32 . 12 1 1 A 4 4 LEU CB C 4 42.790 43.429 -0.639 1
1 36 . 12 1 1 A 4 4 LEU N N 4 124.380 130.383 -6.003 1
1 37 . 12 1 1 A 5 5 LEU H H 5 9.419 8.311 1.108 1
1 38 . 12 1 1 A 5 5 LEU HA H 5 4.536 4.796 -0.260 1
1 48 . 12 1 1 A 5 5 LEU C C 5 177.849 176.795 1.054 1
1 49 . 12 1 1 A 5 5 LEU CA C 5 55.488 53.698 1.790 1
1 50 . 12 1 1 A 5 5 LEU CB C 5 42.700 43.047 -0.347 1
1 54 . 12 1 1 A 5 5 LEU N N 5 124.415 126.666 -2.251 1
1 55 . 12 1 1 A 6 6 THR H H 6 8.995 8.517 0.478 1
1 56 . 12 1 1 A 6 6 THR HA H 6 4.783 4.779 0.004 1
1 61 . 12 1 1 A 6 6 THR C C 6 175.943 176.373 -0.430 1
1 62 . 12 1 1 A 6 6 THR CA C 6 59.961 59.837 0.124 1
1 63 . 12 1 1 A 6 6 THR CB C 6 72.429 72.093 0.336 1
1 65 . 12 1 1 A 6 6 THR N N 6 114.757 115.852 -1.095 1
1 66 . 12 1 1 A 7 7 THR H H 7 8.851 9.005 -0.154 1
1 67 . 12 1 1 A 7 7 THR HA H 7 3.881 3.911 -0.030 1
1 72 . 12 1 1 A 7 7 THR C C 7 176.566 175.960 0.606 1
1 73 . 12 1 1 A 7 7 THR CA C 7 67.277 67.039 0.238 1
1 74 . 12 1 1 A 7 7 THR CB C 7 68.542 68.556 -0.014 1
1 76 . 12 1 1 A 7 7 THR N N 7 115.540 117.289 -1.749 1
1 77 . 12 1 1 A 8 8 ASP H H 8 8.279 8.387 -0.108 1
1 78 . 12 1 1 A 8 8 ASP HA H 8 4.638 4.350 0.288 1
1 81 . 12 1 1 A 8 8 ASP C C 8 178.553 178.416 0.137 1
1 82 . 12 1 1 A 8 8 ASP CA C 8 57.738 57.928 -0.190 1
1 83 . 12 1 1 A 8 8 ASP CB C 8 41.219 41.753 -0.534 1
1 84 . 12 1 1 A 8 8 ASP N N 8 119.967 121.419 -1.452 1
1 85 . 12 1 1 A 9 9 ASP H H 9 7.905 7.723 0.182 1
1 86 . 12 1 1 A 9 9 ASP HA H 9 4.573 4.427 0.146 1
1 89 . 12 1 1 A 9 9 ASP C C 9 179.411 178.353 1.058 1
1 90 . 12 1 1 A 9 9 ASP CA C 9 57.667 57.040 0.627 1
1 91 . 12 1 1 A 9 9 ASP CB C 9 41.453 41.350 0.103 1
1 92 . 12 1 1 A 9 9 ASP N N 9 120.222 119.260 0.962 1
1 93 . 12 1 1 A 10 10 LEU H H 10 8.097 8.194 -0.097 1
1 94 . 12 1 1 A 10 10 LEU HA H 10 4.225 4.164 0.061 1
1 104 . 12 1 1 A 10 10 LEU C C 10 177.475 178.537 -1.062 1
1 105 . 12 1 1 A 10 10 LEU CA C 10 57.959 58.214 -0.255 1
1 106 . 12 1 1 A 10 10 LEU CB C 10 42.013 41.611 0.402 1
1 110 . 12 1 1 A 10 10 LEU N N 10 121.315 120.712 0.603 1
1 111 . 12 1 1 A 11 11 ARG H H 11 8.841 8.620 0.221 1
1 112 . 12 1 1 A 11 11 ARG HA H 11 3.524 3.777 -0.253 1
1 120 . 12 1 1 A 11 11 ARG C C 11 177.728 178.720 -0.992 1
1 121 . 12 1 1 A 11 11 ARG CA C 11 60.662 59.840 0.822 1
1 122 . 12 1 1 A 11 11 ARG CB C 11 30.618 29.842 0.776 1
1 126 . 12 1 1 A 11 11 ARG N N 11 119.774 119.486 0.288 1
1 128 . 12 1 1 A 12 12 ARG H H 12 7.988 7.682 0.306 1
1 129 . 12 1 1 A 12 12 ARG HA H 12 4.041 4.052 -0.011 1
1 137 . 12 1 1 A 12 12 ARG C C 12 178.452 178.177 0.275 1
1 138 . 12 1 1 A 12 12 ARG CA C 12 59.748 59.408 0.340 1
1 139 . 12 1 1 A 12 12 ARG CB C 12 30.414 30.056 0.358 1
1 143 . 12 1 1 A 12 12 ARG N N 12 115.529 119.687 -4.158 1
1 145 . 12 1 1 A 13 13 ALA H H 13 7.722 7.860 -0.138 1
1 146 . 12 1 1 A 13 13 ALA HA H 13 4.412 4.157 0.255 1
1 150 . 12 1 1 A 13 13 ALA C C 13 180.069 180.136 -0.067 1
1 151 . 12 1 1 A 13 13 ALA CA C 13 54.990 55.002 -0.012 1
1 152 . 12 1 1 A 13 13 ALA CB C 13 18.654 18.139 0.515 1
1 153 . 12 1 1 A 13 13 ALA N N 13 119.900 121.403 -1.503 1
1 154 . 12 1 1 A 14 14 LEU H H 14 8.419 7.904 0.515 1
1 155 . 12 1 1 A 14 14 LEU HA H 14 4.418 3.994 0.424 1
1 165 . 12 1 1 A 14 14 LEU C C 14 180.574 179.146 1.428 1
1 166 . 12 1 1 A 14 14 LEU CA C 14 57.488 58.047 -0.559 1
1 167 . 12 1 1 A 14 14 LEU CB C 14 42.008 42.200 -0.192 1
1 171 . 12 1 1 A 14 14 LEU N N 14 119.013 117.814 1.199 1
1 172 . 12 1 1 A 15 15 VAL H H 15 8.501 8.222 0.279 1
1 173 . 12 1 1 A 15 15 VAL HA H 15 3.929 3.592 0.337 1
1 181 . 12 1 1 A 15 15 VAL C C 15 178.956 176.562 2.394 1
1 182 . 12 1 1 A 15 15 VAL CA C 15 66.056 66.926 -0.870 1
1 183 . 12 1 1 A 15 15 VAL CB C 15 32.053 31.127 0.926 1
1 186 . 12 1 1 A 15 15 VAL N N 15 120.534 118.732 1.802 1
1 187 . 12 1 1 A 16 16 GLU H H 16 8.238 8.811 -0.573 1
1 188 . 12 1 1 A 16 16 GLU HA H 16 4.216 4.041 0.175 1
1 193 . 12 1 1 A 16 16 GLU C C 16 178.530 179.108 -0.578 1
1 194 . 12 1 1 A 16 16 GLU CA C 16 58.963 59.489 -0.526 1
1 195 . 12 1 1 A 16 16 GLU CB C 16 29.866 29.216 0.650 1
1 197 . 12 1 1 A 16 16 GLU N N 16 119.771 119.903 -0.132 1
1 198 . 12 1 1 A 17 17 SER H H 17 7.808 7.881 -0.073 1
1 199 . 12 1 1 A 17 17 SER HA H 17 4.581 4.251 0.330 1
1 202 . 12 1 1 A 17 17 SER C C 17 174.239 177.161 -2.922 1
1 203 . 12 1 1 A 17 17 SER CA C 17 59.839 61.414 -1.575 1
1 204 . 12 1 1 A 17 17 SER CB C 17 64.127 62.919 1.208 1
1 205 . 12 1 1 A 17 17 SER N N 17 113.608 116.298 -2.690 1
1 206 . 12 1 1 A 18 18 ALA H H 18 7.809 8.042 -0.233 1
1 207 . 12 1 1 A 18 18 ALA HA H 18 4.358 4.054 0.304 1
1 211 . 12 1 1 A 18 18 ALA C C 18 178.239 178.266 -0.027 1
1 212 . 12 1 1 A 18 18 ALA CA C 18 52.975 53.034 -0.059 1
1 213 . 12 1 1 A 18 18 ALA CB C 18 19.808 19.284 0.524 1
1 214 . 12 1 1 A 18 18 ALA N N 18 123.180 122.495 0.685 1
1 215 . 12 1 1 A 19 19 GLY H H 19 8.241 8.160 0.081 1
1 216 . 12 1 1 A 19 19 GLY HA2 H 19 4.060 3.992 0.068 1
1 217 . 12 1 1 A 19 19 GLY HA3 H 19 4.060 4.003 0.057 1
1 218 . 12 1 1 A 19 19 GLY C C 19 174.390 174.111 0.279 1
1 219 . 12 1 1 A 19 19 GLY CA C 19 45.570 46.090 -0.520 1
1 220 . 12 1 1 A 19 19 GLY N N 19 107.414 105.040 2.374 1
1 221 . 12 1 1 A 20 20 GLU H H 20 8.501 8.444 0.057 1
1 222 . 12 1 1 A 20 20 GLU HA H 20 4.481 4.685 -0.204 1
1 227 . 12 1 1 A 20 20 GLU C C 20 176.860 175.711 1.149 1
1 228 . 12 1 1 A 20 20 GLU CA C 20 56.810 55.937 0.873 1
1 229 . 12 1 1 A 20 20 GLU CB C 20 30.060 29.901 0.159 1
1 231 . 12 1 1 A 20 20 GLU N N 20 120.517 124.860 -4.343 1
1 232 . 12 1 1 A 21 21 THR H H 21 8.251 8.716 -0.465 1
1 233 . 12 1 1 A 21 21 THR HA H 21 4.526 4.739 -0.213 1
1 238 . 12 1 1 A 21 21 THR C C 21 174.520 171.354 3.166 1
1 239 . 12 1 1 A 21 21 THR CA C 21 61.836 59.487 2.349 1
1 240 . 12 1 1 A 21 21 THR CB C 21 70.007 70.705 -0.698 1
1 242 . 12 1 1 A 21 21 THR N N 21 113.989 117.671 -3.682 1
1 243 . 12 1 1 A 22 22 ASP H H 22 8.497 8.732 -0.235 1
1 244 . 12 1 1 A 22 22 ASP HA H 22 4.737 5.350 -0.613 1
1 247 . 12 1 1 A 22 22 ASP C C 22 176.877 175.149 1.728 1
1 248 . 12 1 1 A 22 22 ASP CA C 22 54.739 52.525 2.214 1
1 249 . 12 1 1 A 22 22 ASP CB C 22 41.047 43.750 -2.703 1
1 250 . 12 1 1 A 22 22 ASP N N 22 122.136 122.622 -0.486 1
1 251 . 12 1 1 A 23 23 GLY H H 23 8.499 9.177 -0.678 1
1 252 . 12 1 1 A 23 23 GLY HA2 H 23 4.087 3.880 0.207 1
1 253 . 12 1 1 A 23 23 GLY HA3 H 23 4.087 3.894 0.193 1
1 254 . 12 1 1 A 23 23 GLY C C 23 174.775 173.373 1.402 1
1 255 . 12 1 1 A 23 23 GLY CA C 23 45.815 47.483 -1.668 1
1 256 . 12 1 1 A 23 23 GLY N N 23 109.353 114.268 -4.915 1
1 257 . 12 1 1 A 24 24 THR H H 24 8.151 8.060 0.091 1
1 258 . 12 1 1 A 24 24 THR HA H 24 4.345 4.196 0.149 1
1 263 . 12 1 1 A 24 24 THR C C 24 174.220 174.812 -0.592 1
1 264 . 12 1 1 A 24 24 THR CA C 24 63.084 61.791 1.293 1
1 265 . 12 1 1 A 24 24 THR CB C 24 69.889 68.615 1.274 1
1 267 . 12 1 1 A 24 24 THR N N 24 115.906 116.685 -0.779 1
1 268 . 12 1 1 A 25 25 ASP H H 25 8.617 8.835 -0.218 1
1 269 . 12 1 1 A 25 25 ASP HA H 25 4.726 4.315 0.411 1
1 272 . 12 1 1 A 25 25 ASP C C 25 176.172 175.889 0.283 1
1 273 . 12 1 1 A 25 25 ASP CA C 25 54.459 55.555 -1.096 1
1 274 . 12 1 1 A 25 25 ASP CB C 25 41.038 38.743 2.295 1
1 275 . 12 1 1 A 25 25 ASP N N 25 123.841 125.789 -1.948 1
1 276 . 12 1 1 A 26 26 LEU H H 26 8.468 7.665 0.803 1
1 277 . 12 1 1 A 26 26 LEU HA H 26 4.375 3.972 0.403 1
1 287 . 12 1 1 A 26 26 LEU C C 26 176.307 177.373 -1.066 1
1 288 . 12 1 1 A 26 26 LEU CA C 26 54.128 57.206 -3.078 1
1 289 . 12 1 1 A 26 26 LEU CB C 26 41.100 42.069 -0.969 1
1 293 . 12 1 1 A 26 26 LEU N N 26 123.615 119.953 3.662 1
1 294 . 12 1 1 A 27 27 SER H H 27 8.207 7.787 0.420 1
1 295 . 12 1 1 A 27 27 SER HA H 27 4.303 4.255 0.048 1
1 298 . 12 1 1 A 27 27 SER C C 27 175.019 175.402 -0.383 1
1 299 . 12 1 1 A 27 27 SER CA C 27 59.818 60.405 -0.587 1
1 300 . 12 1 1 A 27 27 SER CB C 27 64.198 62.983 1.215 1
1 301 . 12 1 1 A 27 27 SER N N 27 115.102 115.845 -0.743 1
1 302 . 12 1 1 A 28 28 GLY H H 28 8.581 8.766 -0.185 1
1 303 . 12 1 1 A 28 28 GLY HA2 H 28 4.244 3.999 0.245 1
1 304 . 12 1 1 A 28 28 GLY HA3 H 28 3.890 4.000 -0.110 1
1 305 . 12 1 1 A 28 28 GLY C C 28 174.264 173.536 0.728 1
1 306 . 12 1 1 A 28 28 GLY CA C 28 45.393 45.688 -0.295 1
1 307 . 12 1 1 A 28 28 GLY N N 28 111.287 111.747 -0.460 1
1 308 . 12 1 1 A 29 29 ASP H H 29 8.680 8.504 0.176 1
1 309 . 12 1 1 A 29 29 ASP HA H 29 4.859 5.162 -0.303 1
1 312 . 12 1 1 A 29 29 ASP C C 29 176.461 176.155 0.306 1
1 313 . 12 1 1 A 29 29 ASP CA C 29 54.284 53.539 0.745 1
1 314 . 12 1 1 A 29 29 ASP CB C 29 39.716 41.072 -1.356 1
1 315 . 12 1 1 A 29 29 ASP N N 29 123.263 124.336 -1.073 1
1 316 . 12 1 1 A 30 30 PHE H H 30 8.064 8.522 -0.458 1
1 317 . 12 1 1 A 30 30 PHE HA H 30 4.766 4.580 0.186 1
1 325 . 12 1 1 A 30 30 PHE C C 30 175.486 176.603 -1.117 1
1 326 . 12 1 1 A 30 30 PHE CA C 30 57.460 57.804 -0.344 1
1 327 . 12 1 1 A 30 30 PHE CB C 30 40.521 39.292 1.229 1
1 333 . 12 1 1 A 30 30 PHE N N 30 122.340 121.800 0.540 1
1 334 . 12 1 1 A 31 31 LEU H H 31 7.535 7.443 0.092 1
1 335 . 12 1 1 A 31 31 LEU HA H 31 3.309 3.584 -0.275 1
1 345 . 12 1 1 A 31 31 LEU C C 31 176.442 176.916 -0.474 1
1 346 . 12 1 1 A 31 31 LEU CA C 31 57.841 57.150 0.691 1
1 347 . 12 1 1 A 31 31 LEU CB C 31 42.121 41.537 0.584 1
1 351 . 12 1 1 A 31 31 LEU N N 31 118.974 121.228 -2.254 1
1 352 . 12 1 1 A 32 32 ASP H H 32 8.081 7.523 0.558 1
1 353 . 12 1 1 A 32 32 ASP HA H 32 5.057 4.605 0.452 1
1 356 . 12 1 1 A 32 32 ASP C C 32 176.035 176.217 -0.182 1
1 357 . 12 1 1 A 32 32 ASP CA C 32 53.745 54.126 -0.381 1
1 358 . 12 1 1 A 32 32 ASP CB C 32 41.757 41.301 0.456 1
1 359 . 12 1 1 A 32 32 ASP N N 32 111.858 117.180 -5.322 1
1 360 . 12 1 1 A 33 33 LEU H H 33 7.223 7.543 -0.320 1
1 361 . 12 1 1 A 33 33 LEU HA H 33 4.315 4.218 0.097 1
1 371 . 12 1 1 A 33 33 LEU C C 33 174.834 176.176 -1.342 1
1 372 . 12 1 1 A 33 33 LEU CA C 33 54.484 54.913 -0.429 1
1 373 . 12 1 1 A 33 33 LEU CB C 33 42.469 42.064 0.405 1
1 377 . 12 1 1 A 33 33 LEU N N 33 122.072 122.632 -0.560 1
1 378 . 12 1 1 A 34 34 ARG H H 34 8.486 8.793 -0.307 1
1 379 . 12 1 1 A 34 34 ARG HA H 34 4.746 4.094 0.652 1
1 387 . 12 1 1 A 34 34 ARG C C 34 179.695 177.698 1.997 1
1 388 . 12 1 1 A 34 34 ARG CA C 34 55.460 56.211 -0.751 1
1 389 . 12 1 1 A 34 34 ARG CB C 34 29.981 30.448 -0.467 1
1 393 . 12 1 1 A 34 34 ARG N N 34 116.268 124.489 -8.221 1
1 395 . 12 1 1 A 35 35 PHE H H 35 8.453 8.140 0.313 1
1 396 . 12 1 1 A 35 35 PHE HA H 35 4.398 4.191 0.207 1
1 404 . 12 1 1 A 35 35 PHE C C 35 178.728 178.107 0.621 1
1 405 . 12 1 1 A 35 35 PHE CA C 35 62.994 61.128 1.866 1
1 406 . 12 1 1 A 35 35 PHE CB C 35 37.964 38.537 -0.573 1
1 412 . 12 1 1 A 35 35 PHE N N 35 123.273 122.040 1.233 1
1 413 . 12 1 1 A 36 36 GLU H H 36 9.540 8.454 1.086 1
1 414 . 12 1 1 A 36 36 GLU HA H 36 4.357 4.128 0.229 1
1 419 . 12 1 1 A 36 36 GLU C C 36 178.636 178.466 0.170 1
1 420 . 12 1 1 A 36 36 GLU CA C 36 59.160 59.794 -0.634 1
1 421 . 12 1 1 A 36 36 GLU CB C 36 29.610 29.608 0.002 1
1 423 . 12 1 1 A 36 36 GLU N N 36 117.074 119.866 -2.792 1
1 424 . 12 1 1 A 37 37 ASP H H 37 7.532 7.817 -0.285 1
1 425 . 12 1 1 A 37 37 ASP HA H 37 4.811 4.456 0.355 1
1 428 . 12 1 1 A 37 37 ASP C C 37 177.974 177.679 0.295 1
1 429 . 12 1 1 A 37 37 ASP CA C 37 56.496 56.660 -0.164 1
1 430 . 12 1 1 A 37 37 ASP CB C 37 41.271 41.103 0.168 1
1 431 . 12 1 1 A 37 37 ASP N N 37 118.229 119.154 -0.925 1
1 432 . 12 1 1 A 38 38 ILE H H 38 7.728 7.514 0.214 1
1 433 . 12 1 1 A 38 38 ILE HA H 38 4.676 4.295 0.381 1
1 443 . 12 1 1 A 38 38 ILE C C 38 176.102 176.262 -0.160 1
1 444 . 12 1 1 A 38 38 ILE CA C 38 61.973 60.673 1.300 1
1 445 . 12 1 1 A 38 38 ILE CB C 38 38.682 37.544 1.138 1
1 449 . 12 1 1 A 38 38 ILE N N 38 112.806 111.855 0.951 1
1 450 . 12 1 1 A 39 39 GLY H H 39 7.735 8.157 -0.422 1
1 451 . 12 1 1 A 39 39 GLY HA2 H 39 4.271 4.051 0.220 1
1 452 . 12 1 1 A 39 39 GLY HA3 H 39 3.898 4.054 -0.156 1
1 453 . 12 1 1 A 39 39 GLY C C 39 174.444 174.177 0.267 1
1 454 . 12 1 1 A 39 39 GLY CA C 39 46.438 46.549 -0.111 1
1 455 . 12 1 1 A 39 39 GLY N N 39 107.120 111.175 -4.055 1
1 456 . 12 1 1 A 40 40 TYR H H 40 8.081 8.069 0.012 1
1 457 . 12 1 1 A 40 40 TYR HA H 40 4.586 4.964 -0.378 1
1 464 . 12 1 1 A 40 40 TYR C C 40 174.461 175.090 -0.629 1
1 465 . 12 1 1 A 40 40 TYR CA C 40 58.185 56.613 1.572 1
1 466 . 12 1 1 A 40 40 TYR CB C 40 40.424 41.053 -0.629 1
1 471 . 12 1 1 A 40 40 TYR N N 40 121.688 118.172 3.516 1
1 472 . 12 1 1 A 41 41 ASP H H 41 8.040 8.862 -0.822 1
1 473 . 12 1 1 A 41 41 ASP HA H 41 4.727 4.829 -0.102 1
1 476 . 12 1 1 A 41 41 ASP C C 41 175.980 177.427 -1.447 1
1 477 . 12 1 1 A 41 41 ASP CA C 41 52.812 54.185 -1.373 1
1 478 . 12 1 1 A 41 41 ASP CB C 41 42.068 41.663 0.405 1
1 479 . 12 1 1 A 41 41 ASP N N 41 124.041 125.774 -1.733 1
1 480 . 12 1 1 A 42 42 SER H H 42 8.561 9.059 -0.498 1
1 481 . 12 1 1 A 42 42 SER HA H 42 4.198 4.055 0.143 1
1 484 . 12 1 1 A 42 42 SER C C 42 176.472 176.748 -0.276 1
1 485 . 12 1 1 A 42 42 SER CA C 42 62.309 62.155 0.154 1
1 486 . 12 1 1 A 42 42 SER CB C 42 62.943 62.452 0.491 1
1 487 . 12 1 1 A 42 42 SER N N 42 114.493 118.469 -3.976 1
1 488 . 12 1 1 A 43 43 LEU H H 43 7.804 8.104 -0.300 1
1 489 . 12 1 1 A 43 43 LEU HA H 43 4.270 4.033 0.237 1
1 499 . 12 1 1 A 43 43 LEU C C 43 179.551 178.222 1.329 1
1 500 . 12 1 1 A 43 43 LEU CA C 43 58.369 57.970 0.399 1
1 501 . 12 1 1 A 43 43 LEU CB C 43 41.057 41.894 -0.837 1
1 505 . 12 1 1 A 43 43 LEU N N 43 122.459 124.508 -2.049 1
1 506 . 12 1 1 A 44 44 ALA H H 44 8.064 8.381 -0.317 1
1 507 . 12 1 1 A 44 44 ALA HA H 44 4.334 4.025 0.309 1
1 511 . 12 1 1 A 44 44 ALA C C 44 181.733 179.828 1.905 1
1 512 . 12 1 1 A 44 44 ALA CA C 44 54.987 55.168 -0.181 1
1 513 . 12 1 1 A 44 44 ALA CB C 44 18.500 18.322 0.178 1
1 514 . 12 1 1 A 44 44 ALA N N 44 123.223 120.816 2.407 1
1 515 . 12 1 1 A 45 45 LEU H H 45 8.422 8.479 -0.057 1
1 516 . 12 1 1 A 45 45 LEU HA H 45 3.907 4.129 -0.222 1
1 526 . 12 1 1 A 45 45 LEU C C 45 178.613 178.786 -0.173 1
1 527 . 12 1 1 A 45 45 LEU CA C 45 58.419 57.778 0.641 1
1 528 . 12 1 1 A 45 45 LEU CB C 45 41.643 41.525 0.118 1
1 532 . 12 1 1 A 45 45 LEU N N 45 121.714 120.153 1.561 1
1 533 . 12 1 1 A 46 46 MET H H 46 8.344 8.535 -0.191 1
1 534 . 12 1 1 A 46 46 MET HA H 46 4.259 4.083 0.176 1
1 539 . 12 1 1 A 46 46 MET C C 46 179.856 178.460 1.396 1
1 540 . 12 1 1 A 46 46 MET CA C 46 58.769 58.645 0.124 1
1 541 . 12 1 1 A 46 46 MET CB C 46 32.022 31.847 0.175 1
1 543 . 12 1 1 A 46 46 MET N N 46 119.039 117.011 2.028 1
1 544 . 12 1 1 A 47 47 GLU H H 47 8.414 8.013 0.401 1
1 545 . 12 1 1 A 47 47 GLU HA H 47 4.257 4.093 0.164 1
1 550 . 12 1 1 A 47 47 GLU C C 47 179.208 179.307 -0.099 1
1 551 . 12 1 1 A 47 47 GLU CA C 47 59.504 59.254 0.250 1
1 552 . 12 1 1 A 47 47 GLU CB C 47 29.229 29.223 0.006 1
1 554 . 12 1 1 A 47 47 GLU N N 47 121.231 121.136 0.095 1
1 555 . 12 1 1 A 48 48 THR H H 48 8.329 7.631 0.698 1
1 556 . 12 1 1 A 48 48 THR HA H 48 3.962 3.886 0.076 1
1 561 . 12 1 1 A 48 48 THR C C 48 176.334 176.145 0.189 1
1 562 . 12 1 1 A 48 48 THR CA C 48 67.882 66.654 1.228 1
1 563 . 12 1 1 A 48 48 THR CB C 48 68.478 68.737 -0.259 1
1 565 . 12 1 1 A 48 48 THR N N 48 118.600 117.193 1.407 1
1 566 . 12 1 1 A 49 49 ALA H H 49 8.756 8.442 0.314 1
1 567 . 12 1 1 A 49 49 ALA HA H 49 3.963 3.936 0.027 1
1 571 . 12 1 1 A 49 49 ALA C C 49 178.615 179.265 -0.650 1
1 572 . 12 1 1 A 49 49 ALA CA C 49 56.227 55.552 0.675 1
1 573 . 12 1 1 A 49 49 ALA CB C 49 17.499 17.940 -0.441 1
1 574 . 12 1 1 A 49 49 ALA N N 49 123.599 122.937 0.662 1
1 575 . 12 1 1 A 50 50 ALA H H 50 8.191 8.546 -0.355 1
1 576 . 12 1 1 A 50 50 ALA HA H 50 4.281 4.200 0.081 1
1 580 . 12 1 1 A 50 50 ALA C C 50 181.272 180.330 0.942 1
1 581 . 12 1 1 A 50 50 ALA CA C 50 55.488 55.251 0.237 1
1 582 . 12 1 1 A 50 50 ALA CB C 50 18.107 18.410 -0.303 1
1 583 . 12 1 1 A 50 50 ALA N N 50 119.558 120.222 -0.664 1
1 584 . 12 1 1 A 51 51 ARG H H 51 8.146 8.227 -0.081 1
1 585 . 12 1 1 A 51 51 ARG HA H 51 4.257 4.032 0.225 1
1 593 . 12 1 1 A 51 51 ARG C C 51 179.815 178.700 1.115 1
1 594 . 12 1 1 A 51 51 ARG CA C 51 59.591 59.165 0.426 1
1 595 . 12 1 1 A 51 51 ARG CB C 51 30.400 30.031 0.369 1
1 599 . 12 1 1 A 51 51 ARG N N 51 119.722 118.657 1.065 1
1 601 . 12 1 1 A 52 52 LEU H H 52 8.432 8.369 0.063 1
1 602 . 12 1 1 A 52 52 LEU HA H 52 4.330 4.133 0.197 1
1 612 . 12 1 1 A 52 52 LEU C C 52 179.152 179.374 -0.222 1
1 613 . 12 1 1 A 52 52 LEU CA C 52 58.139 58.167 -0.028 1
1 614 . 12 1 1 A 52 52 LEU CB C 52 42.615 41.468 1.147 1
1 618 . 12 1 1 A 52 52 LEU N N 52 120.470 119.874 0.596 1
1 619 . 12 1 1 A 53 53 GLU H H 53 8.989 8.801 0.188 1
1 620 . 12 1 1 A 53 53 GLU HA H 53 4.105 4.121 -0.016 1
1 625 . 12 1 1 A 53 53 GLU C C 53 179.370 179.095 0.275 1
1 626 . 12 1 1 A 53 53 GLU CA C 53 60.145 59.726 0.419 1
1 627 . 12 1 1 A 53 53 GLU CB C 53 29.184 29.427 -0.243 1
1 629 . 12 1 1 A 53 53 GLU N N 53 119.668 119.535 0.133 1
1 630 . 12 1 1 A 54 54 SER H H 54 8.028 8.288 -0.260 1
1 631 . 12 1 1 A 54 54 SER HA H 54 4.392 4.132 0.260 1
1 634 . 12 1 1 A 54 54 SER C C 54 176.891 176.048 0.843 1
1 635 . 12 1 1 A 54 54 SER CA C 54 61.162 61.824 -0.662 1
1 636 . 12 1 1 A 54 54 SER CB C 54 63.222 62.879 0.343 1
1 637 . 12 1 1 A 54 54 SER N N 54 112.842 117.563 -4.721 1
1 638 . 12 1 1 A 55 55 ARG H H 55 8.070 8.345 -0.275 1
1 639 . 12 1 1 A 55 55 ARG HA H 55 4.111 3.964 0.147 1
1 647 . 12 1 1 A 55 55 ARG C C 55 177.830 177.706 0.124 1
1 648 . 12 1 1 A 55 55 ARG CA C 55 58.824 59.079 -0.255 1
1 649 . 12 1 1 A 55 55 ARG CB C 55 30.829 30.009 0.820 1
1 653 . 12 1 1 A 55 55 ARG N N 55 120.550 121.690 -1.140 1
1 655 . 12 1 1 A 56 56 TYR H H 56 8.171 8.083 0.088 1
1 656 . 12 1 1 A 56 56 TYR HA H 56 4.685 4.654 0.031 1
1 663 . 12 1 1 A 56 56 TYR C C 56 176.027 175.725 0.302 1
1 664 . 12 1 1 A 56 56 TYR CA C 56 59.110 57.926 1.184 1
1 665 . 12 1 1 A 56 56 TYR CB C 56 39.339 38.806 0.533 1
1 670 . 12 1 1 A 56 56 TYR N N 56 113.561 114.797 -1.236 1
1 671 . 12 1 1 A 57 57 GLY H H 57 7.998 8.512 -0.514 1
1 672 . 12 1 1 A 57 57 GLY HA2 H 57 4.105 3.989 0.116 1
1 673 . 12 1 1 A 57 57 GLY HA3 H 57 4.105 3.995 0.110 1
1 674 . 12 1 1 A 57 57 GLY C C 57 174.600 173.979 0.621 1
1 675 . 12 1 1 A 57 57 GLY CA C 57 47.349 47.082 0.267 1
1 676 . 12 1 1 A 57 57 GLY N N 57 109.470 110.290 -0.820 1
1 677 . 12 1 1 A 58 58 VAL H H 58 7.515 7.454 0.061 1
1 678 . 12 1 1 A 58 58 VAL HA H 58 4.694 4.898 -0.204 1
1 686 . 12 1 1 A 58 58 VAL C C 58 174.016 173.450 0.566 1
1 687 . 12 1 1 A 58 58 VAL CA C 58 59.282 59.238 0.044 1
1 688 . 12 1 1 A 58 58 VAL CB C 58 34.791 35.574 -0.783 1
1 691 . 12 1 1 A 58 58 VAL N N 58 112.406 119.839 -7.433 1
1 692 . 12 1 1 A 59 59 SER H H 59 8.489 8.895 -0.406 1
1 693 . 12 1 1 A 59 59 SER HA H 59 4.847 5.229 -0.382 1
1 696 . 12 1 1 A 59 59 SER C C 59 173.643 174.182 -0.539 1
1 697 . 12 1 1 A 59 59 SER CA C 59 57.213 58.011 -0.798 1
1 698 . 12 1 1 A 59 59 SER CB C 59 64.285 63.842 0.443 1
1 699 . 12 1 1 A 59 59 SER N N 59 116.724 124.535 -7.811 1
1 700 . 12 1 1 A 60 60 ILE H H 60 8.224 9.529 -1.305 1
1 701 . 12 1 1 A 60 60 ILE HA H 60 4.676 4.597 0.079 1
1 711 . 12 1 1 A 60 60 ILE CA C 60 57.702 57.742 -0.040 1
1 712 . 12 1 1 A 60 60 ILE CB C 60 40.520 38.891 1.629 1
1 716 . 12 1 1 A 60 60 ILE N N 60 125.582 127.273 -1.691 1
1 717 . 12 1 1 A 61 61 PRO HA H 61 4.543 4.793 -0.250 1
1 724 . 12 1 1 A 61 61 PRO C C 61 177.547 177.567 -0.020 1
1 725 . 12 1 1 A 61 61 PRO CA C 61 63.523 62.784 0.739 1
1 726 . 12 1 1 A 61 61 PRO CB C 61 32.704 31.829 0.875 1
1 729 . 12 1 1 A 62 62 ASP H H 62 8.857 8.674 0.183 1
1 730 . 12 1 1 A 62 62 ASP HA H 62 4.447 4.300 0.147 1
1 733 . 12 1 1 A 62 62 ASP C C 62 177.504 177.859 -0.355 1
1 734 . 12 1 1 A 62 62 ASP CA C 62 57.105 57.770 -0.665 1
1 735 . 12 1 1 A 62 62 ASP CB C 62 40.668 40.691 -0.023 1
1 736 . 12 1 1 A 62 62 ASP N N 62 123.624 123.046 0.578 1
1 737 . 12 1 1 A 63 63 ASP H H 63 8.691 7.871 0.820 1
1 738 . 12 1 1 A 63 63 ASP HA H 63 4.508 4.480 0.028 1
1 741 . 12 1 1 A 63 63 ASP C C 63 177.468 178.648 -1.180 1
1 742 . 12 1 1 A 63 63 ASP CA C 63 55.267 57.120 -1.853 1
1 743 . 12 1 1 A 63 63 ASP CB C 63 39.691 40.466 -0.775 1
1 744 . 12 1 1 A 63 63 ASP N N 63 116.744 119.381 -2.637 1
1 745 . 12 1 1 A 64 64 VAL H H 64 7.388 7.524 -0.136 1
1 746 . 12 1 1 A 64 64 VAL HA H 64 3.789 3.611 0.178 1
1 754 . 12 1 1 A 64 64 VAL C C 64 177.793 177.846 -0.053 1
1 755 . 12 1 1 A 64 64 VAL CA C 64 65.251 66.358 -1.107 1
1 756 . 12 1 1 A 64 64 VAL CB C 64 32.347 31.440 0.907 1
1 759 . 12 1 1 A 64 64 VAL N N 64 119.303 120.735 -1.432 1
1 760 . 12 1 1 A 65 65 ALA H H 65 8.212 8.423 -0.211 1
1 761 . 12 1 1 A 65 65 ALA HA H 65 3.967 4.015 -0.048 1
1 765 . 12 1 1 A 65 65 ALA C C 65 178.005 179.147 -1.142 1
1 766 . 12 1 1 A 65 65 ALA CA C 65 55.196 55.169 0.027 1
1 767 . 12 1 1 A 65 65 ALA CB C 65 18.373 18.279 0.094 1
1 768 . 12 1 1 A 65 65 ALA N N 65 122.060 121.752 0.308 1
1 769 . 12 1 1 A 66 66 GLY H H 66 7.995 8.228 -0.233 1
1 770 . 12 1 1 A 66 66 GLY HA2 H 66 4.133 3.972 0.161 1
1 771 . 12 1 1 A 66 66 GLY HA3 H 66 3.912 3.984 -0.072 1
1 772 . 12 1 1 A 66 66 GLY C C 66 174.615 174.780 -0.165 1
1 773 . 12 1 1 A 66 66 GLY CA C 66 45.925 45.389 0.536 1
1 774 . 12 1 1 A 66 66 GLY N N 66 99.445 105.383 -5.938 1
1 775 . 12 1 1 A 67 67 ARG H H 67 7.478 7.972 -0.494 1
1 776 . 12 1 1 A 67 67 ARG HA H 67 4.659 4.340 0.319 1
1 784 . 12 1 1 A 67 67 ARG C C 67 176.470 175.938 0.532 1
1 785 . 12 1 1 A 67 67 ARG CA C 67 55.647 57.533 -1.886 1
1 786 . 12 1 1 A 67 67 ARG CB C 67 31.843 30.818 1.025 1
1 790 . 12 1 1 A 67 67 ARG N N 67 116.761 120.023 -3.262 1
1 792 . 12 1 1 A 68 68 VAL H H 68 7.244 7.096 0.148 1
1 793 . 12 1 1 A 68 68 VAL HA H 68 4.437 4.166 0.271 1
1 801 . 12 1 1 A 68 68 VAL C C 68 175.250 175.685 -0.435 1
1 802 . 12 1 1 A 68 68 VAL CA C 68 61.919 61.860 0.059 1
1 803 . 12 1 1 A 68 68 VAL CB C 68 33.329 31.642 1.687 1
1 806 . 12 1 1 A 68 68 VAL N N 68 114.725 115.597 -0.872 1
1 807 . 12 1 1 A 69 69 ASP H H 69 9.180 9.183 -0.003 1
1 808 . 12 1 1 A 69 69 ASP HA H 69 5.272 4.855 0.417 1
1 811 . 12 1 1 A 69 69 ASP C C 69 177.035 176.066 0.969 1
1 812 . 12 1 1 A 69 69 ASP CA C 69 55.862 55.730 0.132 1
1 813 . 12 1 1 A 69 69 ASP CB C 69 44.421 42.500 1.921 1
1 814 . 12 1 1 A 69 69 ASP N N 69 120.929 126.267 -5.338 1
1 815 . 12 1 1 A 70 70 THR H H 70 7.490 7.530 -0.040 1
1 816 . 12 1 1 A 70 70 THR HA H 70 4.969 4.395 0.574 1
1 821 . 12 1 1 A 70 70 THR CA C 70 57.776 58.170 -0.394 1
1 822 . 12 1 1 A 70 70 THR CB C 70 71.416 70.274 1.142 1
1 824 . 12 1 1 A 70 70 THR N N 70 107.879 108.534 -0.655 1
1 825 . 12 1 1 A 71 71 PRO HA H 71 4.247 4.337 -0.090 1
1 832 . 12 1 1 A 71 71 PRO C C 71 177.413 178.189 -0.776 1
1 833 . 12 1 1 A 71 71 PRO CA C 71 65.812 65.527 0.285 1
1 834 . 12 1 1 A 71 71 PRO CB C 71 32.647 31.352 1.295 1
1 837 . 12 1 1 A 72 72 ARG H H 72 9.000 8.288 0.712 1
1 838 . 12 1 1 A 72 72 ARG HA H 72 3.619 3.978 -0.359 1
1 850 . 12 1 1 A 72 72 ARG C C 72 177.530 178.722 -1.192 1
1 851 . 12 1 1 A 72 72 ARG CA C 72 60.211 58.994 1.217 1
1 852 . 12 1 1 A 72 72 ARG CB C 72 30.433 29.892 0.541 1
1 856 . 12 1 1 A 72 72 ARG N N 72 117.747 116.810 0.937 1
1 860 . 12 1 1 A 73 73 GLU H H 73 7.840 7.819 0.021 1
1 861 . 12 1 1 A 73 73 GLU HA H 73 4.245 4.051 0.194 1
1 866 . 12 1 1 A 73 73 GLU C C 73 180.139 179.264 0.875 1
1 867 . 12 1 1 A 73 73 GLU CA C 73 59.071 58.741 0.330 1
1 868 . 12 1 1 A 73 73 GLU CB C 73 30.230 29.391 0.839 1
1 870 . 12 1 1 A 73 73 GLU N N 73 116.639 119.069 -2.430 1
1 871 . 12 1 1 A 74 74 LEU H H 74 7.693 7.629 0.064 1
1 872 . 12 1 1 A 74 74 LEU HA H 74 4.324 4.094 0.230 1
1 882 . 12 1 1 A 74 74 LEU C C 74 177.000 178.152 -1.152 1
1 883 . 12 1 1 A 74 74 LEU CA C 74 58.123 57.958 0.165 1
1 884 . 12 1 1 A 74 74 LEU CB C 74 42.242 41.599 0.643 1
1 888 . 12 1 1 A 74 74 LEU N N 74 120.218 121.812 -1.594 1
1 889 . 12 1 1 A 75 75 LEU H H 75 8.731 8.336 0.395 1
1 890 . 12 1 1 A 75 75 LEU HA H 75 3.904 3.935 -0.031 1
1 900 . 12 1 1 A 75 75 LEU C C 75 178.122 178.022 0.100 1
1 901 . 12 1 1 A 75 75 LEU CA C 75 58.462 58.502 -0.040 1
1 902 . 12 1 1 A 75 75 LEU CB C 75 42.400 41.773 0.627 1
1 906 . 12 1 1 A 75 75 LEU N N 75 121.211 119.811 1.400 1
1 907 . 12 1 1 A 76 76 ASP H H 76 8.703 8.291 0.412 1
1 908 . 12 1 1 A 76 76 ASP HA H 76 4.497 4.267 0.230 1
1 911 . 12 1 1 A 76 76 ASP C C 76 180.101 178.238 1.863 1
1 912 . 12 1 1 A 76 76 ASP CA C 76 57.325 57.668 -0.343 1
1 913 . 12 1 1 A 76 76 ASP CB C 76 39.936 42.167 -2.231 1
1 914 . 12 1 1 A 76 76 ASP N N 76 117.466 118.870 -1.404 1
1 915 . 12 1 1 A 77 77 LEU H H 77 8.019 7.983 0.036 1
1 916 . 12 1 1 A 77 77 LEU HA H 77 4.282 3.995 0.287 1
1 926 . 12 1 1 A 77 77 LEU C C 77 179.840 178.564 1.276 1
1 927 . 12 1 1 A 77 77 LEU CA C 77 58.417 58.576 -0.159 1
1 928 . 12 1 1 A 77 77 LEU CB C 77 42.856 41.753 1.103 1
1 932 . 12 1 1 A 77 77 LEU N N 77 122.891 120.094 2.797 1
1 933 . 12 1 1 A 78 78 ILE H H 78 8.281 8.103 0.178 1
1 934 . 12 1 1 A 78 78 ILE HA H 78 3.756 3.747 0.009 1
1 944 . 12 1 1 A 78 78 ILE C C 78 177.655 178.073 -0.418 1
1 945 . 12 1 1 A 78 78 ILE CA C 78 64.638 63.981 0.657 1
1 946 . 12 1 1 A 78 78 ILE CB C 78 37.325 37.236 0.089 1
1 950 . 12 1 1 A 78 78 ILE N N 78 119.758 119.123 0.635 1
1 951 . 12 1 1 A 79 79 ASN H H 79 8.880 8.535 0.345 1
1 952 . 12 1 1 A 79 79 ASN HA H 79 4.918 4.331 0.587 1
1 957 . 12 1 1 A 79 79 ASN C C 79 179.481 178.750 0.731 1
1 958 . 12 1 1 A 79 79 ASN CA C 79 55.446 56.236 -0.790 1
1 959 . 12 1 1 A 79 79 ASN CB C 79 37.299 37.702 -0.403 1
1 960 . 12 1 1 A 79 79 ASN N N 79 117.848 121.002 -3.154 1
1 962 . 12 1 1 A 80 80 GLY H H 80 8.441 8.789 -0.348 1
1 963 . 12 1 1 A 80 80 GLY HA2 H 80 4.036 3.806 0.230 1
1 964 . 12 1 1 A 80 80 GLY HA3 H 80 4.036 3.808 0.228 1
1 965 . 12 1 1 A 80 80 GLY C C 80 175.746 176.300 -0.554 1
1 966 . 12 1 1 A 80 80 GLY CA C 80 47.065 46.990 0.075 1
1 967 . 12 1 1 A 80 80 GLY N N 80 110.120 109.350 0.770 1
1 968 . 12 1 1 A 81 81 ALA H H 81 7.604 8.079 -0.475 1
1 969 . 12 1 1 A 81 81 ALA HA H 81 4.467 3.975 0.492 1
1 973 . 12 1 1 A 81 81 ALA C C 81 180.565 180.230 0.335 1
1 974 . 12 1 1 A 81 81 ALA CA C 81 54.298 54.646 -0.348 1
1 975 . 12 1 1 A 81 81 ALA CB C 81 18.530 18.576 -0.046 1
1 976 . 12 1 1 A 81 81 ALA N N 81 124.070 125.251 -1.181 1
1 977 . 12 1 1 A 82 82 LEU H H 82 8.299 8.399 -0.100 1
1 978 . 12 1 1 A 82 82 LEU HA H 82 4.219 4.033 0.186 1
1 988 . 12 1 1 A 82 82 LEU C C 82 178.837 179.209 -0.372 1
1 989 . 12 1 1 A 82 82 LEU CA C 82 56.967 57.911 -0.944 1
1 990 . 12 1 1 A 82 82 LEU CB C 82 42.610 41.066 1.544 1
1 994 . 12 1 1 A 82 82 LEU N N 82 119.823 119.888 -0.065 1
1 995 . 12 1 1 A 83 83 ALA H H 83 7.964 8.519 -0.555 1
1 996 . 12 1 1 A 83 83 ALA HA H 83 4.298 3.989 0.309 1
1 1000 . 12 1 1 A 83 83 ALA C C 83 178.739 180.018 -1.279 1
1 1001 . 12 1 1 A 83 83 ALA CA C 83 53.965 55.040 -1.075 1
1 1002 . 12 1 1 A 83 83 ALA CB C 83 18.917 18.160 0.757 1
1 1003 . 12 1 1 A 83 83 ALA N N 83 121.306 122.294 -0.988 1
1 1004 . 12 1 1 A 84 84 GLU H H 84 7.746 7.855 -0.109 1
1 1005 . 12 1 1 A 84 84 GLU HA H 84 4.396 4.066 0.330 1
1 1010 . 12 1 1 A 84 84 GLU C C 84 176.347 178.126 -1.779 1
1 1011 . 12 1 1 A 84 84 GLU CA C 84 56.739 59.096 -2.357 1
1 1012 . 12 1 1 A 84 84 GLU CB C 84 30.126 29.297 0.829 1
1 1014 . 12 1 1 A 84 84 GLU N N 84 117.080 119.226 -2.146 1
1 1015 . 12 1 1 A 85 85 ALA H H 85 7.832 7.368 0.464 1
1 1016 . 12 1 1 A 85 85 ALA HA H 85 4.485 4.244 0.241 1
1 1020 . 12 1 1 A 85 85 ALA C C 85 176.564 177.386 -0.822 1
1 1021 . 12 1 1 A 85 85 ALA CA C 85 52.485 53.188 -0.703 1
1 1022 . 12 1 1 A 85 85 ALA CB C 85 19.529 18.842 0.687 1
1 1023 . 12 1 1 A 85 85 ALA N N 85 124.010 120.992 3.018 1
1 1 . 13 1 1 A 2 2 ALA HA H 2 4.297 4.350 -0.053 1
1 5 . 13 1 1 A 2 2 ALA C C 2 173.708 177.950 -4.242 1
1 6 . 13 1 1 A 2 2 ALA CA C 2 51.945 54.855 -2.910 1
1 7 . 13 1 1 A 2 2 ALA CB C 2 19.979 18.856 1.123 1
1 8 . 13 1 1 A 3 3 THR H H 3 8.680 7.978 0.702 1
1 9 . 13 1 1 A 3 3 THR HA H 3 4.411 5.119 -0.708 1
1 14 . 13 1 1 A 3 3 THR C C 3 172.914 173.111 -0.197 1
1 15 . 13 1 1 A 3 3 THR CA C 3 62.665 60.568 2.097 1
1 16 . 13 1 1 A 3 3 THR CB C 3 69.902 70.640 -0.738 1
1 18 . 13 1 1 A 3 3 THR N N 3 117.458 108.634 8.824 1
1 19 . 13 1 1 A 4 4 LEU H H 4 8.145 8.177 -0.032 1
1 20 . 13 1 1 A 4 4 LEU HA H 4 4.384 4.506 -0.122 1
1 30 . 13 1 1 A 4 4 LEU C C 4 177.176 174.096 3.080 1
1 31 . 13 1 1 A 4 4 LEU CA C 4 54.765 54.082 0.683 1
1 32 . 13 1 1 A 4 4 LEU CB C 4 42.790 44.806 -2.016 1
1 36 . 13 1 1 A 4 4 LEU N N 4 124.380 124.422 -0.042 1
1 37 . 13 1 1 A 5 5 LEU H H 5 9.419 8.543 0.876 1
1 38 . 13 1 1 A 5 5 LEU HA H 5 4.536 5.075 -0.539 1
1 48 . 13 1 1 A 5 5 LEU C C 5 177.849 176.788 1.061 1
1 49 . 13 1 1 A 5 5 LEU CA C 5 55.488 53.007 2.481 1
1 50 . 13 1 1 A 5 5 LEU CB C 5 42.700 43.757 -1.057 1
1 54 . 13 1 1 A 5 5 LEU N N 5 124.415 124.618 -0.203 1
1 55 . 13 1 1 A 6 6 THR H H 6 8.995 9.147 -0.152 1
1 56 . 13 1 1 A 6 6 THR HA H 6 4.783 4.777 0.006 1
1 61 . 13 1 1 A 6 6 THR C C 6 175.943 176.283 -0.340 1
1 62 . 13 1 1 A 6 6 THR CA C 6 59.961 60.072 -0.111 1
1 63 . 13 1 1 A 6 6 THR CB C 6 72.429 70.834 1.595 1
1 65 . 13 1 1 A 6 6 THR N N 6 114.757 116.116 -1.359 1
1 66 . 13 1 1 A 7 7 THR H H 7 8.851 8.942 -0.091 1
1 67 . 13 1 1 A 7 7 THR HA H 7 3.881 3.917 -0.036 1
1 72 . 13 1 1 A 7 7 THR C C 7 176.566 176.494 0.072 1
1 73 . 13 1 1 A 7 7 THR CA C 7 67.277 67.231 0.046 1
1 74 . 13 1 1 A 7 7 THR CB C 7 68.542 68.914 -0.372 1
1 76 . 13 1 1 A 7 7 THR N N 7 115.540 116.543 -1.003 1
1 77 . 13 1 1 A 8 8 ASP H H 8 8.279 8.216 0.063 1
1 78 . 13 1 1 A 8 8 ASP HA H 8 4.638 4.455 0.183 1
1 81 . 13 1 1 A 8 8 ASP C C 8 178.553 178.261 0.292 1
1 82 . 13 1 1 A 8 8 ASP CA C 8 57.738 57.275 0.463 1
1 83 . 13 1 1 A 8 8 ASP CB C 8 41.219 41.008 0.211 1
1 84 . 13 1 1 A 8 8 ASP N N 8 119.967 121.104 -1.137 1
1 85 . 13 1 1 A 9 9 ASP H H 9 7.905 8.194 -0.289 1
1 86 . 13 1 1 A 9 9 ASP HA H 9 4.573 4.476 0.097 1
1 89 . 13 1 1 A 9 9 ASP C C 9 179.411 178.775 0.636 1
1 90 . 13 1 1 A 9 9 ASP CA C 9 57.667 57.448 0.219 1
1 91 . 13 1 1 A 9 9 ASP CB C 9 41.453 41.000 0.453 1
1 92 . 13 1 1 A 9 9 ASP N N 9 120.222 118.886 1.336 1
1 93 . 13 1 1 A 10 10 LEU H H 10 8.097 8.123 -0.026 1
1 94 . 13 1 1 A 10 10 LEU HA H 10 4.225 4.152 0.073 1
1 104 . 13 1 1 A 10 10 LEU C C 10 177.475 178.515 -1.040 1
1 105 . 13 1 1 A 10 10 LEU CA C 10 57.959 58.175 -0.216 1
1 106 . 13 1 1 A 10 10 LEU CB C 10 42.013 41.630 0.383 1
1 110 . 13 1 1 A 10 10 LEU N N 10 121.315 120.793 0.522 1
1 111 . 13 1 1 A 11 11 ARG H H 11 8.841 8.512 0.329 1
1 112 . 13 1 1 A 11 11 ARG HA H 11 3.524 3.890 -0.366 1
1 120 . 13 1 1 A 11 11 ARG C C 11 177.728 178.617 -0.889 1
1 121 . 13 1 1 A 11 11 ARG CA C 11 60.662 59.891 0.771 1
1 122 . 13 1 1 A 11 11 ARG CB C 11 30.618 29.996 0.622 1
1 126 . 13 1 1 A 11 11 ARG N N 11 119.774 119.714 0.060 1
1 128 . 13 1 1 A 12 12 ARG H H 12 7.988 8.353 -0.365 1
1 129 . 13 1 1 A 12 12 ARG HA H 12 4.041 4.045 -0.004 1
1 137 . 13 1 1 A 12 12 ARG C C 12 178.452 178.264 0.188 1
1 138 . 13 1 1 A 12 12 ARG CA C 12 59.748 59.404 0.344 1
1 139 . 13 1 1 A 12 12 ARG CB C 12 30.414 30.123 0.291 1
1 143 . 13 1 1 A 12 12 ARG N N 12 115.529 119.354 -3.825 1
1 145 . 13 1 1 A 13 13 ALA H H 13 7.722 8.005 -0.283 1
1 146 . 13 1 1 A 13 13 ALA HA H 13 4.412 4.285 0.127 1
1 150 . 13 1 1 A 13 13 ALA C C 13 180.069 180.121 -0.052 1
1 151 . 13 1 1 A 13 13 ALA CA C 13 54.990 55.054 -0.064 1
1 152 . 13 1 1 A 13 13 ALA CB C 13 18.654 18.456 0.198 1
1 153 . 13 1 1 A 13 13 ALA N N 13 119.900 120.937 -1.037 1
1 154 . 13 1 1 A 14 14 LEU H H 14 8.419 8.276 0.143 1
1 155 . 13 1 1 A 14 14 LEU HA H 14 4.418 4.022 0.396 1
1 165 . 13 1 1 A 14 14 LEU C C 14 180.574 179.152 1.422 1
1 166 . 13 1 1 A 14 14 LEU CA C 14 57.488 58.073 -0.585 1
1 167 . 13 1 1 A 14 14 LEU CB C 14 42.008 42.721 -0.713 1
1 171 . 13 1 1 A 14 14 LEU N N 14 119.013 118.381 0.632 1
1 172 . 13 1 1 A 15 15 VAL H H 15 8.501 8.078 0.423 1
1 173 . 13 1 1 A 15 15 VAL HA H 15 3.929 3.541 0.388 1
1 181 . 13 1 1 A 15 15 VAL C C 15 178.956 177.225 1.731 1
1 182 . 13 1 1 A 15 15 VAL CA C 15 66.056 66.943 -0.887 1
1 183 . 13 1 1 A 15 15 VAL CB C 15 32.053 31.184 0.869 1
1 186 . 13 1 1 A 15 15 VAL N N 15 120.534 117.942 2.592 1
1 187 . 13 1 1 A 16 16 GLU H H 16 8.238 8.605 -0.367 1
1 188 . 13 1 1 A 16 16 GLU HA H 16 4.216 4.047 0.169 1
1 193 . 13 1 1 A 16 16 GLU C C 16 178.530 178.548 -0.018 1
1 194 . 13 1 1 A 16 16 GLU CA C 16 58.963 59.364 -0.401 1
1 195 . 13 1 1 A 16 16 GLU CB C 16 29.866 29.211 0.655 1
1 197 . 13 1 1 A 16 16 GLU N N 16 119.771 119.886 -0.115 1
1 198 . 13 1 1 A 17 17 SER H H 17 7.808 7.664 0.144 1
1 199 . 13 1 1 A 17 17 SER HA H 17 4.581 4.333 0.248 1
1 202 . 13 1 1 A 17 17 SER C C 17 174.239 175.783 -1.544 1
1 203 . 13 1 1 A 17 17 SER CA C 17 59.839 61.371 -1.532 1
1 204 . 13 1 1 A 17 17 SER CB C 17 64.127 63.555 0.572 1
1 205 . 13 1 1 A 17 17 SER N N 17 113.608 116.707 -3.099 1
1 206 . 13 1 1 A 18 18 ALA H H 18 7.809 7.835 -0.026 1
1 207 . 13 1 1 A 18 18 ALA HA H 18 4.358 4.164 0.194 1
1 211 . 13 1 1 A 18 18 ALA C C 18 178.239 178.313 -0.074 1
1 212 . 13 1 1 A 18 18 ALA CA C 18 52.975 52.539 0.436 1
1 213 . 13 1 1 A 18 18 ALA CB C 18 19.808 19.228 0.580 1
1 214 . 13 1 1 A 18 18 ALA N N 18 123.180 120.713 2.467 1
1 215 . 13 1 1 A 19 19 GLY H H 19 8.241 8.148 0.093 1
1 216 . 13 1 1 A 19 19 GLY HA2 H 19 4.060 3.878 0.182 1
1 217 . 13 1 1 A 19 19 GLY HA3 H 19 4.060 3.890 0.170 1
1 218 . 13 1 1 A 19 19 GLY C C 19 174.390 174.209 0.181 1
1 219 . 13 1 1 A 19 19 GLY CA C 19 45.570 47.104 -1.534 1
1 220 . 13 1 1 A 19 19 GLY N N 19 107.414 107.363 0.051 1
1 221 . 13 1 1 A 20 20 GLU H H 20 8.501 8.185 0.316 1
1 222 . 13 1 1 A 20 20 GLU HA H 20 4.481 4.592 -0.111 1
1 227 . 13 1 1 A 20 20 GLU C C 20 176.860 175.391 1.469 1
1 228 . 13 1 1 A 20 20 GLU CA C 20 56.810 55.944 0.866 1
1 229 . 13 1 1 A 20 20 GLU CB C 20 30.060 30.344 -0.284 1
1 231 . 13 1 1 A 20 20 GLU N N 20 120.517 124.101 -3.584 1
1 232 . 13 1 1 A 21 21 THR H H 21 8.251 8.466 -0.215 1
1 233 . 13 1 1 A 21 21 THR HA H 21 4.526 4.752 -0.226 1
1 238 . 13 1 1 A 21 21 THR C C 21 174.520 173.521 0.999 1
1 239 . 13 1 1 A 21 21 THR CA C 21 61.836 61.591 0.245 1
1 240 . 13 1 1 A 21 21 THR CB C 21 70.007 70.931 -0.924 1
1 242 . 13 1 1 A 21 21 THR N N 21 113.989 117.339 -3.350 1
1 243 . 13 1 1 A 22 22 ASP H H 22 8.497 8.908 -0.411 1
1 244 . 13 1 1 A 22 22 ASP HA H 22 4.737 4.731 0.006 1
1 247 . 13 1 1 A 22 22 ASP C C 22 176.877 177.344 -0.467 1
1 248 . 13 1 1 A 22 22 ASP CA C 22 54.739 55.477 -0.738 1
1 249 . 13 1 1 A 22 22 ASP CB C 22 41.047 41.507 -0.460 1
1 250 . 13 1 1 A 22 22 ASP N N 22 122.136 129.039 -6.903 1
1 251 . 13 1 1 A 23 23 GLY H H 23 8.499 8.717 -0.218 1
1 252 . 13 1 1 A 23 23 GLY HA2 H 23 4.087 3.992 0.095 1
1 253 . 13 1 1 A 23 23 GLY HA3 H 23 4.087 4.001 0.086 1
1 254 . 13 1 1 A 23 23 GLY C C 23 174.775 173.135 1.640 1
1 255 . 13 1 1 A 23 23 GLY CA C 23 45.815 47.102 -1.287 1
1 256 . 13 1 1 A 23 23 GLY N N 23 109.353 107.446 1.907 1
1 257 . 13 1 1 A 24 24 THR H H 24 8.151 7.949 0.202 1
1 258 . 13 1 1 A 24 24 THR HA H 24 4.345 4.484 -0.139 1
1 263 . 13 1 1 A 24 24 THR C C 24 174.220 172.673 1.547 1
1 264 . 13 1 1 A 24 24 THR CA C 24 63.084 60.202 2.882 1
1 265 . 13 1 1 A 24 24 THR CB C 24 69.889 69.894 -0.005 1
1 267 . 13 1 1 A 24 24 THR N N 24 115.906 113.058 2.848 1
1 268 . 13 1 1 A 25 25 ASP H H 25 8.617 8.766 -0.149 1
1 269 . 13 1 1 A 25 25 ASP HA H 25 4.726 4.771 -0.045 1
1 272 . 13 1 1 A 25 25 ASP C C 25 176.172 175.911 0.261 1
1 273 . 13 1 1 A 25 25 ASP CA C 25 54.459 53.508 0.951 1
1 274 . 13 1 1 A 25 25 ASP CB C 25 41.038 40.612 0.426 1
1 275 . 13 1 1 A 25 25 ASP N N 25 123.841 122.730 1.111 1
1 276 . 13 1 1 A 26 26 LEU H H 26 8.468 8.887 -0.419 1
1 277 . 13 1 1 A 26 26 LEU HA H 26 4.375 4.446 -0.071 1
1 287 . 13 1 1 A 26 26 LEU C C 26 176.307 176.205 0.102 1
1 288 . 13 1 1 A 26 26 LEU CA C 26 54.128 55.222 -1.094 1
1 289 . 13 1 1 A 26 26 LEU CB C 26 41.100 42.369 -1.269 1
1 293 . 13 1 1 A 26 26 LEU N N 26 123.615 126.080 -2.465 1
1 294 . 13 1 1 A 27 27 SER H H 27 8.207 7.611 0.596 1
1 295 . 13 1 1 A 27 27 SER HA H 27 4.303 4.517 -0.214 1
1 298 . 13 1 1 A 27 27 SER C C 27 175.019 174.943 0.076 1
1 299 . 13 1 1 A 27 27 SER CA C 27 59.818 58.875 0.943 1
1 300 . 13 1 1 A 27 27 SER CB C 27 64.198 63.569 0.629 1
1 301 . 13 1 1 A 27 27 SER N N 27 115.102 112.864 2.238 1
1 302 . 13 1 1 A 28 28 GLY H H 28 8.581 8.563 0.018 1
1 303 . 13 1 1 A 28 28 GLY HA2 H 28 4.244 4.087 0.157 1
1 304 . 13 1 1 A 28 28 GLY HA3 H 28 3.890 4.088 -0.198 1
1 305 . 13 1 1 A 28 28 GLY C C 28 174.264 173.345 0.919 1
1 306 . 13 1 1 A 28 28 GLY CA C 28 45.393 45.094 0.299 1
1 307 . 13 1 1 A 28 28 GLY N N 28 111.287 110.086 1.201 1
1 308 . 13 1 1 A 29 29 ASP H H 29 8.680 8.463 0.217 1
1 309 . 13 1 1 A 29 29 ASP HA H 29 4.859 4.745 0.114 1
1 312 . 13 1 1 A 29 29 ASP C C 29 176.461 176.603 -0.142 1
1 313 . 13 1 1 A 29 29 ASP CA C 29 54.284 53.371 0.913 1
1 314 . 13 1 1 A 29 29 ASP CB C 29 39.716 40.654 -0.938 1
1 315 . 13 1 1 A 29 29 ASP N N 29 123.263 125.131 -1.868 1
1 316 . 13 1 1 A 30 30 PHE H H 30 8.064 7.883 0.181 1
1 317 . 13 1 1 A 30 30 PHE HA H 30 4.766 4.596 0.170 1
1 325 . 13 1 1 A 30 30 PHE C C 30 175.486 176.799 -1.313 1
1 326 . 13 1 1 A 30 30 PHE CA C 30 57.460 57.547 -0.087 1
1 327 . 13 1 1 A 30 30 PHE CB C 30 40.521 39.299 1.222 1
1 333 . 13 1 1 A 30 30 PHE N N 30 122.340 122.592 -0.252 1
1 334 . 13 1 1 A 31 31 LEU H H 31 7.535 7.453 0.082 1
1 335 . 13 1 1 A 31 31 LEU HA H 31 3.309 3.533 -0.224 1
1 345 . 13 1 1 A 31 31 LEU C C 31 176.442 177.557 -1.115 1
1 346 . 13 1 1 A 31 31 LEU CA C 31 57.841 57.255 0.586 1
1 347 . 13 1 1 A 31 31 LEU CB C 31 42.121 41.489 0.632 1
1 351 . 13 1 1 A 31 31 LEU N N 31 118.974 121.404 -2.430 1
1 352 . 13 1 1 A 32 32 ASP H H 32 8.081 7.477 0.604 1
1 353 . 13 1 1 A 32 32 ASP HA H 32 5.057 4.525 0.532 1
1 356 . 13 1 1 A 32 32 ASP C C 32 176.035 176.143 -0.108 1
1 357 . 13 1 1 A 32 32 ASP CA C 32 53.745 55.473 -1.728 1
1 358 . 13 1 1 A 32 32 ASP CB C 32 41.757 41.758 -0.001 1
1 359 . 13 1 1 A 32 32 ASP N N 32 111.858 117.036 -5.178 1
1 360 . 13 1 1 A 33 33 LEU H H 33 7.223 7.309 -0.086 1
1 361 . 13 1 1 A 33 33 LEU HA H 33 4.315 4.228 0.087 1
1 371 . 13 1 1 A 33 33 LEU C C 33 174.834 176.232 -1.398 1
1 372 . 13 1 1 A 33 33 LEU CA C 33 54.484 54.726 -0.242 1
1 373 . 13 1 1 A 33 33 LEU CB C 33 42.469 41.961 0.508 1
1 377 . 13 1 1 A 33 33 LEU N N 33 122.072 122.176 -0.104 1
1 378 . 13 1 1 A 34 34 ARG H H 34 8.486 8.806 -0.320 1
1 379 . 13 1 1 A 34 34 ARG HA H 34 4.746 4.274 0.472 1
1 387 . 13 1 1 A 34 34 ARG C C 34 179.695 177.913 1.782 1
1 388 . 13 1 1 A 34 34 ARG CA C 34 55.460 56.288 -0.828 1
1 389 . 13 1 1 A 34 34 ARG CB C 34 29.981 30.546 -0.565 1
1 393 . 13 1 1 A 34 34 ARG N N 34 116.268 124.147 -7.879 1
1 395 . 13 1 1 A 35 35 PHE H H 35 8.453 8.504 -0.051 1
1 396 . 13 1 1 A 35 35 PHE HA H 35 4.398 4.221 0.177 1
1 404 . 13 1 1 A 35 35 PHE C C 35 178.728 178.049 0.679 1
1 405 . 13 1 1 A 35 35 PHE CA C 35 62.994 60.729 2.265 1
1 406 . 13 1 1 A 35 35 PHE CB C 35 37.964 38.432 -0.468 1
1 412 . 13 1 1 A 35 35 PHE N N 35 123.273 122.098 1.175 1
1 413 . 13 1 1 A 36 36 GLU H H 36 9.540 8.294 1.246 1
1 414 . 13 1 1 A 36 36 GLU HA H 36 4.357 4.061 0.296 1
1 419 . 13 1 1 A 36 36 GLU C C 36 178.636 178.372 0.264 1
1 420 . 13 1 1 A 36 36 GLU CA C 36 59.160 60.158 -0.998 1
1 421 . 13 1 1 A 36 36 GLU CB C 36 29.610 29.294 0.316 1
1 423 . 13 1 1 A 36 36 GLU N N 36 117.074 120.611 -3.537 1
1 424 . 13 1 1 A 37 37 ASP H H 37 7.532 7.771 -0.239 1
1 425 . 13 1 1 A 37 37 ASP HA H 37 4.811 4.413 0.398 1
1 428 . 13 1 1 A 37 37 ASP C C 37 177.974 177.753 0.221 1
1 429 . 13 1 1 A 37 37 ASP CA C 37 56.496 56.479 0.017 1
1 430 . 13 1 1 A 37 37 ASP CB C 37 41.271 41.048 0.223 1
1 431 . 13 1 1 A 37 37 ASP N N 37 118.229 119.933 -1.704 1
1 432 . 13 1 1 A 38 38 ILE H H 38 7.728 7.497 0.231 1
1 433 . 13 1 1 A 38 38 ILE HA H 38 4.676 4.295 0.381 1
1 443 . 13 1 1 A 38 38 ILE C C 38 176.102 176.325 -0.223 1
1 444 . 13 1 1 A 38 38 ILE CA C 38 61.973 60.675 1.298 1
1 445 . 13 1 1 A 38 38 ILE CB C 38 38.682 37.433 1.249 1
1 449 . 13 1 1 A 38 38 ILE N N 38 112.806 111.876 0.930 1
1 450 . 13 1 1 A 39 39 GLY H H 39 7.735 8.037 -0.302 1
1 451 . 13 1 1 A 39 39 GLY HA2 H 39 4.271 4.008 0.263 1
1 452 . 13 1 1 A 39 39 GLY HA3 H 39 3.898 4.022 -0.124 1
1 453 . 13 1 1 A 39 39 GLY C C 39 174.444 174.161 0.283 1
1 454 . 13 1 1 A 39 39 GLY CA C 39 46.438 46.557 -0.119 1
1 455 . 13 1 1 A 39 39 GLY N N 39 107.120 111.187 -4.067 1
1 456 . 13 1 1 A 40 40 TYR H H 40 8.081 7.973 0.108 1
1 457 . 13 1 1 A 40 40 TYR HA H 40 4.586 4.887 -0.301 1
1 464 . 13 1 1 A 40 40 TYR C C 40 174.461 175.354 -0.893 1
1 465 . 13 1 1 A 40 40 TYR CA C 40 58.185 57.208 0.977 1
1 466 . 13 1 1 A 40 40 TYR CB C 40 40.424 41.394 -0.970 1
1 471 . 13 1 1 A 40 40 TYR N N 40 121.688 118.355 3.333 1
1 472 . 13 1 1 A 41 41 ASP H H 41 8.040 8.825 -0.785 1
1 473 . 13 1 1 A 41 41 ASP HA H 41 4.727 4.822 -0.095 1
1 476 . 13 1 1 A 41 41 ASP C C 41 175.980 177.120 -1.140 1
1 477 . 13 1 1 A 41 41 ASP CA C 41 52.812 54.242 -1.430 1
1 478 . 13 1 1 A 41 41 ASP CB C 41 42.068 41.366 0.702 1
1 479 . 13 1 1 A 41 41 ASP N N 41 124.041 124.890 -0.849 1
1 480 . 13 1 1 A 42 42 SER H H 42 8.561 8.994 -0.433 1
1 481 . 13 1 1 A 42 42 SER HA H 42 4.198 4.034 0.164 1
1 484 . 13 1 1 A 42 42 SER C C 42 176.472 176.271 0.201 1
1 485 . 13 1 1 A 42 42 SER CA C 42 62.309 61.673 0.636 1
1 486 . 13 1 1 A 42 42 SER CB C 42 62.943 62.979 -0.036 1
1 487 . 13 1 1 A 42 42 SER N N 42 114.493 118.839 -4.346 1
1 488 . 13 1 1 A 43 43 LEU H H 43 7.804 8.126 -0.322 1
1 489 . 13 1 1 A 43 43 LEU HA H 43 4.270 4.061 0.209 1
1 499 . 13 1 1 A 43 43 LEU C C 43 179.551 178.256 1.295 1
1 500 . 13 1 1 A 43 43 LEU CA C 43 58.369 58.034 0.335 1
1 501 . 13 1 1 A 43 43 LEU CB C 43 41.057 41.690 -0.633 1
1 505 . 13 1 1 A 43 43 LEU N N 43 122.459 122.283 0.176 1
1 506 . 13 1 1 A 44 44 ALA H H 44 8.064 8.397 -0.333 1
1 507 . 13 1 1 A 44 44 ALA HA H 44 4.334 4.031 0.303 1
1 511 . 13 1 1 A 44 44 ALA C C 44 181.733 179.817 1.916 1
1 512 . 13 1 1 A 44 44 ALA CA C 44 54.987 55.114 -0.127 1
1 513 . 13 1 1 A 44 44 ALA CB C 44 18.500 18.275 0.225 1
1 514 . 13 1 1 A 44 44 ALA N N 44 123.223 120.616 2.607 1
1 515 . 13 1 1 A 45 45 LEU H H 45 8.422 8.342 0.080 1
1 516 . 13 1 1 A 45 45 LEU HA H 45 3.907 4.057 -0.150 1
1 526 . 13 1 1 A 45 45 LEU C C 45 178.613 178.613 0.000 1
1 527 . 13 1 1 A 45 45 LEU CA C 45 58.419 57.733 0.686 1
1 528 . 13 1 1 A 45 45 LEU CB C 45 41.643 41.433 0.210 1
1 532 . 13 1 1 A 45 45 LEU N N 45 121.714 120.386 1.328 1
1 533 . 13 1 1 A 46 46 MET H H 46 8.344 8.722 -0.378 1
1 534 . 13 1 1 A 46 46 MET HA H 46 4.259 4.066 0.193 1
1 539 . 13 1 1 A 46 46 MET C C 46 179.856 178.458 1.398 1
1 540 . 13 1 1 A 46 46 MET CA C 46 58.769 58.604 0.165 1
1 541 . 13 1 1 A 46 46 MET CB C 46 32.022 32.090 -0.068 1
1 543 . 13 1 1 A 46 46 MET N N 46 119.039 117.064 1.975 1
1 544 . 13 1 1 A 47 47 GLU H H 47 8.414 8.402 0.012 1
1 545 . 13 1 1 A 47 47 GLU HA H 47 4.257 4.019 0.238 1
1 550 . 13 1 1 A 47 47 GLU C C 47 179.208 179.207 0.001 1
1 551 . 13 1 1 A 47 47 GLU CA C 47 59.504 59.340 0.164 1
1 552 . 13 1 1 A 47 47 GLU CB C 47 29.229 29.282 -0.053 1
1 554 . 13 1 1 A 47 47 GLU N N 47 121.231 120.996 0.235 1
1 555 . 13 1 1 A 48 48 THR H H 48 8.329 7.763 0.566 1
1 556 . 13 1 1 A 48 48 THR HA H 48 3.962 4.085 -0.123 1
1 561 . 13 1 1 A 48 48 THR C C 48 176.334 176.334 0.000 1
1 562 . 13 1 1 A 48 48 THR CA C 48 67.882 66.697 1.185 1
1 563 . 13 1 1 A 48 48 THR CB C 48 68.478 68.716 -0.238 1
1 565 . 13 1 1 A 48 48 THR N N 48 118.600 116.925 1.675 1
1 566 . 13 1 1 A 49 49 ALA H H 49 8.756 8.529 0.227 1
1 567 . 13 1 1 A 49 49 ALA HA H 49 3.963 3.956 0.007 1
1 571 . 13 1 1 A 49 49 ALA C C 49 178.615 179.285 -0.670 1
1 572 . 13 1 1 A 49 49 ALA CA C 49 56.227 55.347 0.880 1
1 573 . 13 1 1 A 49 49 ALA CB C 49 17.499 17.903 -0.404 1
1 574 . 13 1 1 A 49 49 ALA N N 49 123.599 122.909 0.690 1
1 575 . 13 1 1 A 50 50 ALA H H 50 8.191 8.494 -0.303 1
1 576 . 13 1 1 A 50 50 ALA HA H 50 4.281 4.005 0.276 1
1 580 . 13 1 1 A 50 50 ALA C C 50 181.272 180.415 0.857 1
1 581 . 13 1 1 A 50 50 ALA CA C 50 55.488 55.282 0.206 1
1 582 . 13 1 1 A 50 50 ALA CB C 50 18.107 18.368 -0.261 1
1 583 . 13 1 1 A 50 50 ALA N N 50 119.558 120.407 -0.849 1
1 584 . 13 1 1 A 51 51 ARG H H 51 8.146 7.848 0.298 1
1 585 . 13 1 1 A 51 51 ARG HA H 51 4.257 4.024 0.233 1
1 593 . 13 1 1 A 51 51 ARG C C 51 179.815 178.553 1.262 1
1 594 . 13 1 1 A 51 51 ARG CA C 51 59.591 59.222 0.369 1
1 595 . 13 1 1 A 51 51 ARG CB C 51 30.400 29.971 0.429 1
1 599 . 13 1 1 A 51 51 ARG N N 51 119.722 118.452 1.270 1
1 601 . 13 1 1 A 52 52 LEU H H 52 8.432 8.078 0.354 1
1 602 . 13 1 1 A 52 52 LEU HA H 52 4.330 4.201 0.129 1
1 612 . 13 1 1 A 52 52 LEU C C 52 179.152 179.139 0.013 1
1 613 . 13 1 1 A 52 52 LEU CA C 52 58.139 58.201 -0.062 1
1 614 . 13 1 1 A 52 52 LEU CB C 52 42.615 41.023 1.592 1
1 618 . 13 1 1 A 52 52 LEU N N 52 120.470 119.697 0.773 1
1 619 . 13 1 1 A 53 53 GLU H H 53 8.989 8.687 0.302 1
1 620 . 13 1 1 A 53 53 GLU HA H 53 4.105 3.996 0.109 1
1 625 . 13 1 1 A 53 53 GLU C C 53 179.370 178.928 0.442 1
1 626 . 13 1 1 A 53 53 GLU CA C 53 60.145 59.747 0.398 1
1 627 . 13 1 1 A 53 53 GLU CB C 53 29.184 29.159 0.025 1
1 629 . 13 1 1 A 53 53 GLU N N 53 119.668 118.140 1.528 1
1 630 . 13 1 1 A 54 54 SER H H 54 8.028 7.913 0.115 1
1 631 . 13 1 1 A 54 54 SER HA H 54 4.392 4.117 0.275 1
1 634 . 13 1 1 A 54 54 SER C C 54 176.891 177.207 -0.316 1
1 635 . 13 1 1 A 54 54 SER CA C 54 61.162 61.653 -0.491 1
1 636 . 13 1 1 A 54 54 SER CB C 54 63.222 63.144 0.078 1
1 637 . 13 1 1 A 54 54 SER N N 54 112.842 115.872 -3.030 1
1 638 . 13 1 1 A 55 55 ARG H H 55 8.070 8.175 -0.105 1
1 639 . 13 1 1 A 55 55 ARG HA H 55 4.111 3.910 0.201 1
1 647 . 13 1 1 A 55 55 ARG C C 55 177.830 177.483 0.347 1
1 648 . 13 1 1 A 55 55 ARG CA C 55 58.824 58.706 0.118 1
1 649 . 13 1 1 A 55 55 ARG CB C 55 30.829 29.343 1.486 1
1 653 . 13 1 1 A 55 55 ARG N N 55 120.550 121.293 -0.743 1
1 655 . 13 1 1 A 56 56 TYR H H 56 8.171 7.789 0.382 1
1 656 . 13 1 1 A 56 56 TYR HA H 56 4.685 4.629 0.056 1
1 663 . 13 1 1 A 56 56 TYR C C 56 176.027 175.987 0.040 1
1 664 . 13 1 1 A 56 56 TYR CA C 56 59.110 57.766 1.344 1
1 665 . 13 1 1 A 56 56 TYR CB C 56 39.339 38.680 0.659 1
1 670 . 13 1 1 A 56 56 TYR N N 56 113.561 115.078 -1.517 1
1 671 . 13 1 1 A 57 57 GLY H H 57 7.998 7.651 0.347 1
1 672 . 13 1 1 A 57 57 GLY HA2 H 57 4.105 3.982 0.123 1
1 673 . 13 1 1 A 57 57 GLY HA3 H 57 4.105 3.989 0.116 1
1 674 . 13 1 1 A 57 57 GLY C C 57 174.600 174.341 0.259 1
1 675 . 13 1 1 A 57 57 GLY CA C 57 47.349 46.602 0.747 1
1 676 . 13 1 1 A 57 57 GLY N N 57 109.470 110.112 -0.642 1
1 677 . 13 1 1 A 58 58 VAL H H 58 7.515 7.864 -0.349 1
1 678 . 13 1 1 A 58 58 VAL HA H 58 4.694 4.553 0.141 1
1 686 . 13 1 1 A 58 58 VAL C C 58 174.016 174.849 -0.833 1
1 687 . 13 1 1 A 58 58 VAL CA C 58 59.282 60.236 -0.954 1
1 688 . 13 1 1 A 58 58 VAL CB C 58 34.791 34.005 0.786 1
1 691 . 13 1 1 A 58 58 VAL N N 58 112.406 118.530 -6.124 1
1 692 . 13 1 1 A 59 59 SER H H 59 8.489 9.000 -0.511 1
1 693 . 13 1 1 A 59 59 SER HA H 59 4.847 5.468 -0.621 1
1 696 . 13 1 1 A 59 59 SER C C 59 173.643 172.669 0.974 1
1 697 . 13 1 1 A 59 59 SER CA C 59 57.213 57.088 0.125 1
1 698 . 13 1 1 A 59 59 SER CB C 59 64.285 65.096 -0.811 1
1 699 . 13 1 1 A 59 59 SER N N 59 116.724 115.935 0.789 1
1 700 . 13 1 1 A 60 60 ILE H H 60 8.224 9.652 -1.428 1
1 701 . 13 1 1 A 60 60 ILE HA H 60 4.676 4.617 0.059 1
1 711 . 13 1 1 A 60 60 ILE CA C 60 57.702 57.664 0.038 1
1 712 . 13 1 1 A 60 60 ILE CB C 60 40.520 39.227 1.293 1
1 716 . 13 1 1 A 60 60 ILE N N 60 125.582 126.312 -0.730 1
1 717 . 13 1 1 A 61 61 PRO HA H 61 4.543 4.591 -0.048 1
1 724 . 13 1 1 A 61 61 PRO C C 61 177.547 177.565 -0.018 1
1 725 . 13 1 1 A 61 61 PRO CA C 61 63.523 63.030 0.493 1
1 726 . 13 1 1 A 61 61 PRO CB C 61 32.704 32.359 0.345 1
1 729 . 13 1 1 A 62 62 ASP H H 62 8.857 8.660 0.197 1
1 730 . 13 1 1 A 62 62 ASP HA H 62 4.447 4.309 0.138 1
1 733 . 13 1 1 A 62 62 ASP C C 62 177.504 178.136 -0.632 1
1 734 . 13 1 1 A 62 62 ASP CA C 62 57.105 57.769 -0.664 1
1 735 . 13 1 1 A 62 62 ASP CB C 62 40.668 40.674 -0.006 1
1 736 . 13 1 1 A 62 62 ASP N N 62 123.624 122.747 0.877 1
1 737 . 13 1 1 A 63 63 ASP H H 63 8.691 8.180 0.511 1
1 738 . 13 1 1 A 63 63 ASP HA H 63 4.508 4.403 0.105 1
1 741 . 13 1 1 A 63 63 ASP C C 63 177.468 178.576 -1.108 1
1 742 . 13 1 1 A 63 63 ASP CA C 63 55.267 57.048 -1.781 1
1 743 . 13 1 1 A 63 63 ASP CB C 63 39.691 41.361 -1.670 1
1 744 . 13 1 1 A 63 63 ASP N N 63 116.744 119.001 -2.257 1
1 745 . 13 1 1 A 64 64 VAL H H 64 7.388 7.540 -0.152 1
1 746 . 13 1 1 A 64 64 VAL HA H 64 3.789 3.609 0.180 1
1 754 . 13 1 1 A 64 64 VAL C C 64 177.793 177.897 -0.104 1
1 755 . 13 1 1 A 64 64 VAL CA C 64 65.251 66.338 -1.087 1
1 756 . 13 1 1 A 64 64 VAL CB C 64 32.347 31.386 0.961 1
1 759 . 13 1 1 A 64 64 VAL N N 64 119.303 119.424 -0.121 1
1 760 . 13 1 1 A 65 65 ALA H H 65 8.212 8.216 -0.004 1
1 761 . 13 1 1 A 65 65 ALA HA H 65 3.967 4.025 -0.058 1
1 765 . 13 1 1 A 65 65 ALA C C 65 178.005 179.033 -1.028 1
1 766 . 13 1 1 A 65 65 ALA CA C 65 55.196 55.221 -0.025 1
1 767 . 13 1 1 A 65 65 ALA CB C 65 18.373 18.283 0.090 1
1 768 . 13 1 1 A 65 65 ALA N N 65 122.060 121.666 0.394 1
1 769 . 13 1 1 A 66 66 GLY H H 66 7.995 7.892 0.103 1
1 770 . 13 1 1 A 66 66 GLY HA2 H 66 4.133 3.977 0.156 1
1 771 . 13 1 1 A 66 66 GLY HA3 H 66 3.912 3.989 -0.077 1
1 772 . 13 1 1 A 66 66 GLY C C 66 174.615 174.907 -0.292 1
1 773 . 13 1 1 A 66 66 GLY CA C 66 45.925 45.450 0.475 1
1 774 . 13 1 1 A 66 66 GLY N N 66 99.445 104.756 -5.311 1
1 775 . 13 1 1 A 67 67 ARG H H 67 7.478 8.060 -0.582 1
1 776 . 13 1 1 A 67 67 ARG HA H 67 4.659 4.587 0.072 1
1 784 . 13 1 1 A 67 67 ARG C C 67 176.470 175.508 0.962 1
1 785 . 13 1 1 A 67 67 ARG CA C 67 55.647 55.871 -0.224 1
1 786 . 13 1 1 A 67 67 ARG CB C 67 31.843 31.960 -0.117 1
1 790 . 13 1 1 A 67 67 ARG N N 67 116.761 120.039 -3.278 1
1 792 . 13 1 1 A 68 68 VAL H H 68 7.244 7.282 -0.038 1
1 793 . 13 1 1 A 68 68 VAL HA H 68 4.437 4.208 0.229 1
1 801 . 13 1 1 A 68 68 VAL C C 68 175.250 175.689 -0.439 1
1 802 . 13 1 1 A 68 68 VAL CA C 68 61.919 61.738 0.181 1
1 803 . 13 1 1 A 68 68 VAL CB C 68 33.329 31.529 1.800 1
1 806 . 13 1 1 A 68 68 VAL N N 68 114.725 118.311 -3.586 1
1 807 . 13 1 1 A 69 69 ASP H H 69 9.180 9.296 -0.116 1
1 808 . 13 1 1 A 69 69 ASP HA H 69 5.272 4.871 0.401 1
1 811 . 13 1 1 A 69 69 ASP C C 69 177.035 176.037 0.998 1
1 812 . 13 1 1 A 69 69 ASP CA C 69 55.862 55.606 0.256 1
1 813 . 13 1 1 A 69 69 ASP CB C 69 44.421 42.509 1.912 1
1 814 . 13 1 1 A 69 69 ASP N N 69 120.929 126.275 -5.346 1
1 815 . 13 1 1 A 70 70 THR H H 70 7.490 7.633 -0.143 1
1 816 . 13 1 1 A 70 70 THR HA H 70 4.969 4.350 0.619 1
1 821 . 13 1 1 A 70 70 THR CA C 70 57.776 58.182 -0.406 1
1 822 . 13 1 1 A 70 70 THR CB C 70 71.416 70.291 1.125 1
1 824 . 13 1 1 A 70 70 THR N N 70 107.879 108.698 -0.819 1
1 825 . 13 1 1 A 71 71 PRO HA H 71 4.247 4.376 -0.129 1
1 832 . 13 1 1 A 71 71 PRO C C 71 177.413 178.225 -0.812 1
1 833 . 13 1 1 A 71 71 PRO CA C 71 65.812 65.566 0.246 1
1 834 . 13 1 1 A 71 71 PRO CB C 71 32.647 31.276 1.371 1
1 837 . 13 1 1 A 72 72 ARG H H 72 9.000 8.722 0.278 1
1 838 . 13 1 1 A 72 72 ARG HA H 72 3.619 3.953 -0.334 1
1 850 . 13 1 1 A 72 72 ARG C C 72 177.530 178.653 -1.123 1
1 851 . 13 1 1 A 72 72 ARG CA C 72 60.211 58.941 1.270 1
1 852 . 13 1 1 A 72 72 ARG CB C 72 30.433 29.902 0.531 1
1 856 . 13 1 1 A 72 72 ARG N N 72 117.747 116.907 0.840 1
1 860 . 13 1 1 A 73 73 GLU H H 73 7.840 7.797 0.043 1
1 861 . 13 1 1 A 73 73 GLU HA H 73 4.245 4.040 0.205 1
1 866 . 13 1 1 A 73 73 GLU C C 73 180.139 179.267 0.872 1
1 867 . 13 1 1 A 73 73 GLU CA C 73 59.071 58.598 0.473 1
1 868 . 13 1 1 A 73 73 GLU CB C 73 30.230 29.545 0.685 1
1 870 . 13 1 1 A 73 73 GLU N N 73 116.639 119.060 -2.421 1
1 871 . 13 1 1 A 74 74 LEU H H 74 7.693 7.489 0.204 1
1 872 . 13 1 1 A 74 74 LEU HA H 74 4.324 4.086 0.238 1
1 882 . 13 1 1 A 74 74 LEU C C 74 177.000 178.148 -1.148 1
1 883 . 13 1 1 A 74 74 LEU CA C 74 58.123 58.042 0.081 1
1 884 . 13 1 1 A 74 74 LEU CB C 74 42.242 41.564 0.678 1
1 888 . 13 1 1 A 74 74 LEU N N 74 120.218 121.850 -1.632 1
1 889 . 13 1 1 A 75 75 LEU H H 75 8.731 8.362 0.369 1
1 890 . 13 1 1 A 75 75 LEU HA H 75 3.904 3.957 -0.053 1
1 900 . 13 1 1 A 75 75 LEU C C 75 178.122 178.118 0.004 1
1 901 . 13 1 1 A 75 75 LEU CA C 75 58.462 58.233 0.229 1
1 902 . 13 1 1 A 75 75 LEU CB C 75 42.400 40.962 1.438 1
1 906 . 13 1 1 A 75 75 LEU N N 75 121.211 119.747 1.464 1
1 907 . 13 1 1 A 76 76 ASP H H 76 8.703 8.510 0.193 1
1 908 . 13 1 1 A 76 76 ASP HA H 76 4.497 4.230 0.267 1
1 911 . 13 1 1 A 76 76 ASP C C 76 180.101 178.295 1.806 1
1 912 . 13 1 1 A 76 76 ASP CA C 76 57.325 57.700 -0.375 1
1 913 . 13 1 1 A 76 76 ASP CB C 76 39.936 41.620 -1.684 1
1 914 . 13 1 1 A 76 76 ASP N N 76 117.466 118.838 -1.372 1
1 915 . 13 1 1 A 77 77 LEU H H 77 8.019 7.973 0.046 1
1 916 . 13 1 1 A 77 77 LEU HA H 77 4.282 4.057 0.225 1
1 926 . 13 1 1 A 77 77 LEU C C 77 179.840 178.527 1.313 1
1 927 . 13 1 1 A 77 77 LEU CA C 77 58.417 58.419 -0.002 1
1 928 . 13 1 1 A 77 77 LEU CB C 77 42.856 41.601 1.255 1
1 932 . 13 1 1 A 77 77 LEU N N 77 122.891 120.197 2.694 1
1 933 . 13 1 1 A 78 78 ILE H H 78 8.281 8.337 -0.056 1
1 934 . 13 1 1 A 78 78 ILE HA H 78 3.756 3.630 0.126 1
1 944 . 13 1 1 A 78 78 ILE C C 78 177.655 178.259 -0.604 1
1 945 . 13 1 1 A 78 78 ILE CA C 78 64.638 64.494 0.144 1
1 946 . 13 1 1 A 78 78 ILE CB C 78 37.325 36.527 0.798 1
1 950 . 13 1 1 A 78 78 ILE N N 78 119.758 119.596 0.162 1
1 951 . 13 1 1 A 79 79 ASN H H 79 8.880 8.458 0.422 1
1 952 . 13 1 1 A 79 79 ASN HA H 79 4.918 4.367 0.551 1
1 957 . 13 1 1 A 79 79 ASN C C 79 179.481 179.050 0.431 1
1 958 . 13 1 1 A 79 79 ASN CA C 79 55.446 56.117 -0.671 1
1 959 . 13 1 1 A 79 79 ASN CB C 79 37.299 37.627 -0.328 1
1 960 . 13 1 1 A 79 79 ASN N N 79 117.848 120.085 -2.237 1
1 962 . 13 1 1 A 80 80 GLY H H 80 8.441 8.483 -0.042 1
1 963 . 13 1 1 A 80 80 GLY HA2 H 80 4.036 3.792 0.244 1
1 964 . 13 1 1 A 80 80 GLY HA3 H 80 4.036 3.794 0.242 1
1 965 . 13 1 1 A 80 80 GLY C C 80 175.746 176.409 -0.663 1
1 966 . 13 1 1 A 80 80 GLY CA C 80 47.065 46.974 0.091 1
1 967 . 13 1 1 A 80 80 GLY N N 80 110.120 108.994 1.126 1
1 968 . 13 1 1 A 81 81 ALA H H 81 7.604 8.189 -0.585 1
1 969 . 13 1 1 A 81 81 ALA HA H 81 4.467 3.972 0.495 1
1 973 . 13 1 1 A 81 81 ALA C C 81 180.565 180.340 0.225 1
1 974 . 13 1 1 A 81 81 ALA CA C 81 54.298 54.775 -0.477 1
1 975 . 13 1 1 A 81 81 ALA CB C 81 18.530 18.878 -0.348 1
1 976 . 13 1 1 A 81 81 ALA N N 81 124.070 125.148 -1.078 1
1 977 . 13 1 1 A 82 82 LEU H H 82 8.299 8.520 -0.221 1
1 978 . 13 1 1 A 82 82 LEU HA H 82 4.219 4.025 0.194 1
1 988 . 13 1 1 A 82 82 LEU C C 82 178.837 179.431 -0.594 1
1 989 . 13 1 1 A 82 82 LEU CA C 82 56.967 57.033 -0.066 1
1 990 . 13 1 1 A 82 82 LEU CB C 82 42.610 41.277 1.333 1
1 994 . 13 1 1 A 82 82 LEU N N 82 119.823 118.918 0.905 1
1 995 . 13 1 1 A 83 83 ALA H H 83 7.964 8.090 -0.126 1
1 996 . 13 1 1 A 83 83 ALA HA H 83 4.298 3.996 0.302 1
1 1000 . 13 1 1 A 83 83 ALA C C 83 178.739 179.308 -0.569 1
1 1001 . 13 1 1 A 83 83 ALA CA C 83 53.965 54.949 -0.984 1
1 1002 . 13 1 1 A 83 83 ALA CB C 83 18.917 18.121 0.796 1
1 1003 . 13 1 1 A 83 83 ALA N N 83 121.306 122.393 -1.087 1
1 1004 . 13 1 1 A 84 84 GLU H H 84 7.746 7.604 0.142 1
1 1005 . 13 1 1 A 84 84 GLU HA H 84 4.396 4.262 0.134 1
1 1010 . 13 1 1 A 84 84 GLU C C 84 176.347 178.203 -1.856 1
1 1011 . 13 1 1 A 84 84 GLU CA C 84 56.739 58.907 -2.168 1
1 1012 . 13 1 1 A 84 84 GLU CB C 84 30.126 30.593 -0.467 1
1 1014 . 13 1 1 A 84 84 GLU N N 84 117.080 117.438 -0.358 1
1 1015 . 13 1 1 A 85 85 ALA H H 85 7.832 8.323 -0.491 1
1 1016 . 13 1 1 A 85 85 ALA HA H 85 4.485 4.457 0.028 1
1 1020 . 13 1 1 A 85 85 ALA C C 85 176.564 176.846 -0.282 1
1 1021 . 13 1 1 A 85 85 ALA CA C 85 52.485 51.875 0.610 1
1 1022 . 13 1 1 A 85 85 ALA CB C 85 19.529 18.730 0.799 1
1 1023 . 13 1 1 A 85 85 ALA N N 85 124.010 121.765 2.245 1
1 1 . 14 1 1 A 2 2 ALA HA H 2 4.297 4.772 -0.475 1
1 5 . 14 1 1 A 2 2 ALA C C 2 173.708 176.809 -3.101 1
1 6 . 14 1 1 A 2 2 ALA CA C 2 51.945 51.297 0.648 1
1 7 . 14 1 1 A 2 2 ALA CB C 2 19.979 20.116 -0.137 1
1 8 . 14 1 1 A 3 3 THR H H 3 8.680 8.654 0.026 1
1 9 . 14 1 1 A 3 3 THR HA H 3 4.411 4.621 -0.210 1
1 14 . 14 1 1 A 3 3 THR C C 3 172.914 174.539 -1.625 1
1 15 . 14 1 1 A 3 3 THR CA C 3 62.665 61.289 1.376 1
1 16 . 14 1 1 A 3 3 THR CB C 3 69.902 69.619 0.283 1
1 18 . 14 1 1 A 3 3 THR N N 3 117.458 117.072 0.386 1
1 19 . 14 1 1 A 4 4 LEU H H 4 8.145 8.551 -0.406 1
1 20 . 14 1 1 A 4 4 LEU HA H 4 4.384 4.163 0.221 1
1 30 . 14 1 1 A 4 4 LEU C C 4 177.176 176.921 0.255 1
1 31 . 14 1 1 A 4 4 LEU CA C 4 54.765 55.081 -0.316 1
1 32 . 14 1 1 A 4 4 LEU CB C 4 42.790 42.479 0.311 1
1 36 . 14 1 1 A 4 4 LEU N N 4 124.380 126.830 -2.450 1
1 37 . 14 1 1 A 5 5 LEU H H 5 9.419 8.104 1.315 1
1 38 . 14 1 1 A 5 5 LEU HA H 5 4.536 4.910 -0.374 1
1 48 . 14 1 1 A 5 5 LEU C C 5 177.849 176.936 0.913 1
1 49 . 14 1 1 A 5 5 LEU CA C 5 55.488 53.408 2.080 1
1 50 . 14 1 1 A 5 5 LEU CB C 5 42.700 43.377 -0.677 1
1 54 . 14 1 1 A 5 5 LEU N N 5 124.415 122.363 2.052 1
1 55 . 14 1 1 A 6 6 THR H H 6 8.995 8.783 0.212 1
1 56 . 14 1 1 A 6 6 THR HA H 6 4.783 4.820 -0.037 1
1 61 . 14 1 1 A 6 6 THR C C 6 175.943 176.345 -0.402 1
1 62 . 14 1 1 A 6 6 THR CA C 6 59.961 59.864 0.097 1
1 63 . 14 1 1 A 6 6 THR CB C 6 72.429 71.427 1.002 1
1 65 . 14 1 1 A 6 6 THR N N 6 114.757 114.240 0.517 1
1 66 . 14 1 1 A 7 7 THR H H 7 8.851 8.933 -0.082 1
1 67 . 14 1 1 A 7 7 THR HA H 7 3.881 3.867 0.014 1
1 72 . 14 1 1 A 7 7 THR C C 7 176.566 176.143 0.423 1
1 73 . 14 1 1 A 7 7 THR CA C 7 67.277 66.331 0.946 1
1 74 . 14 1 1 A 7 7 THR CB C 7 68.542 68.561 -0.019 1
1 76 . 14 1 1 A 7 7 THR N N 7 115.540 117.246 -1.706 1
1 77 . 14 1 1 A 8 8 ASP H H 8 8.279 8.261 0.018 1
1 78 . 14 1 1 A 8 8 ASP HA H 8 4.638 4.410 0.228 1
1 81 . 14 1 1 A 8 8 ASP C C 8 178.553 178.207 0.346 1
1 82 . 14 1 1 A 8 8 ASP CA C 8 57.738 58.077 -0.339 1
1 83 . 14 1 1 A 8 8 ASP CB C 8 41.219 41.121 0.098 1
1 84 . 14 1 1 A 8 8 ASP N N 8 119.967 121.304 -1.337 1
1 85 . 14 1 1 A 9 9 ASP H H 9 7.905 7.814 0.091 1
1 86 . 14 1 1 A 9 9 ASP HA H 9 4.573 4.533 0.040 1
1 89 . 14 1 1 A 9 9 ASP C C 9 179.411 178.931 0.480 1
1 90 . 14 1 1 A 9 9 ASP CA C 9 57.667 57.611 0.056 1
1 91 . 14 1 1 A 9 9 ASP CB C 9 41.453 40.479 0.974 1
1 92 . 14 1 1 A 9 9 ASP N N 9 120.222 119.173 1.049 1
1 93 . 14 1 1 A 10 10 LEU H H 10 8.097 7.891 0.206 1
1 94 . 14 1 1 A 10 10 LEU HA H 10 4.225 4.165 0.060 1
1 104 . 14 1 1 A 10 10 LEU C C 10 177.475 178.568 -1.093 1
1 105 . 14 1 1 A 10 10 LEU CA C 10 57.959 58.224 -0.265 1
1 106 . 14 1 1 A 10 10 LEU CB C 10 42.013 41.471 0.542 1
1 110 . 14 1 1 A 10 10 LEU N N 10 121.315 120.769 0.546 1
1 111 . 14 1 1 A 11 11 ARG H H 11 8.841 8.488 0.353 1
1 112 . 14 1 1 A 11 11 ARG HA H 11 3.524 3.918 -0.394 1
1 120 . 14 1 1 A 11 11 ARG C C 11 177.728 178.980 -1.252 1
1 121 . 14 1 1 A 11 11 ARG CA C 11 60.662 59.837 0.825 1
1 122 . 14 1 1 A 11 11 ARG CB C 11 30.618 29.975 0.643 1
1 126 . 14 1 1 A 11 11 ARG N N 11 119.774 119.647 0.127 1
1 128 . 14 1 1 A 12 12 ARG H H 12 7.988 8.097 -0.109 1
1 129 . 14 1 1 A 12 12 ARG HA H 12 4.041 4.075 -0.034 1
1 137 . 14 1 1 A 12 12 ARG C C 12 178.452 179.087 -0.635 1
1 138 . 14 1 1 A 12 12 ARG CA C 12 59.748 59.233 0.515 1
1 139 . 14 1 1 A 12 12 ARG CB C 12 30.414 30.283 0.131 1
1 143 . 14 1 1 A 12 12 ARG N N 12 115.529 118.569 -3.040 1
1 145 . 14 1 1 A 13 13 ALA H H 13 7.722 7.799 -0.077 1
1 146 . 14 1 1 A 13 13 ALA HA H 13 4.412 4.183 0.229 1
1 150 . 14 1 1 A 13 13 ALA C C 13 180.069 179.886 0.183 1
1 151 . 14 1 1 A 13 13 ALA CA C 13 54.990 55.054 -0.064 1
1 152 . 14 1 1 A 13 13 ALA CB C 13 18.654 18.278 0.376 1
1 153 . 14 1 1 A 13 13 ALA N N 13 119.900 121.677 -1.777 1
1 154 . 14 1 1 A 14 14 LEU H H 14 8.419 7.967 0.452 1
1 155 . 14 1 1 A 14 14 LEU HA H 14 4.418 4.049 0.369 1
1 165 . 14 1 1 A 14 14 LEU C C 14 180.574 179.297 1.277 1
1 166 . 14 1 1 A 14 14 LEU CA C 14 57.488 58.075 -0.587 1
1 167 . 14 1 1 A 14 14 LEU CB C 14 42.008 42.172 -0.164 1
1 171 . 14 1 1 A 14 14 LEU N N 14 119.013 117.954 1.059 1
1 172 . 14 1 1 A 15 15 VAL H H 15 8.501 8.206 0.295 1
1 173 . 14 1 1 A 15 15 VAL HA H 15 3.929 3.552 0.377 1
1 181 . 14 1 1 A 15 15 VAL C C 15 178.956 177.483 1.473 1
1 182 . 14 1 1 A 15 15 VAL CA C 15 66.056 66.910 -0.854 1
1 183 . 14 1 1 A 15 15 VAL CB C 15 32.053 31.300 0.753 1
1 186 . 14 1 1 A 15 15 VAL N N 15 120.534 117.958 2.576 1
1 187 . 14 1 1 A 16 16 GLU H H 16 8.238 8.612 -0.374 1
1 188 . 14 1 1 A 16 16 GLU HA H 16 4.216 3.952 0.264 1
1 193 . 14 1 1 A 16 16 GLU C C 16 178.530 179.316 -0.786 1
1 194 . 14 1 1 A 16 16 GLU CA C 16 58.963 59.714 -0.751 1
1 195 . 14 1 1 A 16 16 GLU CB C 16 29.866 29.253 0.613 1
1 197 . 14 1 1 A 16 16 GLU N N 16 119.771 119.835 -0.064 1
1 198 . 14 1 1 A 17 17 SER H H 17 7.808 7.832 -0.024 1
1 199 . 14 1 1 A 17 17 SER HA H 17 4.581 4.253 0.328 1
1 202 . 14 1 1 A 17 17 SER C C 17 174.239 176.245 -2.006 1
1 203 . 14 1 1 A 17 17 SER CA C 17 59.839 61.665 -1.826 1
1 204 . 14 1 1 A 17 17 SER CB C 17 64.127 63.312 0.815 1
1 205 . 14 1 1 A 17 17 SER N N 17 113.608 116.380 -2.772 1
1 206 . 14 1 1 A 18 18 ALA H H 18 7.809 7.986 -0.177 1
1 207 . 14 1 1 A 18 18 ALA HA H 18 4.358 4.027 0.331 1
1 211 . 14 1 1 A 18 18 ALA C C 18 178.239 178.140 0.099 1
1 212 . 14 1 1 A 18 18 ALA CA C 18 52.975 53.010 -0.035 1
1 213 . 14 1 1 A 18 18 ALA CB C 18 19.808 19.464 0.344 1
1 214 . 14 1 1 A 18 18 ALA N N 18 123.180 121.331 1.849 1
1 215 . 14 1 1 A 19 19 GLY H H 19 8.241 7.888 0.353 1
1 216 . 14 1 1 A 19 19 GLY HA2 H 19 4.060 4.011 0.049 1
1 217 . 14 1 1 A 19 19 GLY HA3 H 19 4.060 4.023 0.037 1
1 218 . 14 1 1 A 19 19 GLY C C 19 174.390 173.845 0.545 1
1 219 . 14 1 1 A 19 19 GLY CA C 19 45.570 44.386 1.184 1
1 220 . 14 1 1 A 19 19 GLY N N 19 107.414 104.564 2.850 1
1 221 . 14 1 1 A 20 20 GLU H H 20 8.501 8.894 -0.393 1
1 222 . 14 1 1 A 20 20 GLU HA H 20 4.481 4.456 0.025 1
1 227 . 14 1 1 A 20 20 GLU C C 20 176.860 174.914 1.946 1
1 228 . 14 1 1 A 20 20 GLU CA C 20 56.810 56.908 -0.098 1
1 229 . 14 1 1 A 20 20 GLU CB C 20 30.060 28.843 1.217 1
1 231 . 14 1 1 A 20 20 GLU N N 20 120.517 121.589 -1.072 1
1 232 . 14 1 1 A 21 21 THR H H 21 8.251 8.352 -0.101 1
1 233 . 14 1 1 A 21 21 THR HA H 21 4.526 4.488 0.038 1
1 238 . 14 1 1 A 21 21 THR C C 21 174.520 174.383 0.137 1
1 239 . 14 1 1 A 21 21 THR CA C 21 61.836 60.718 1.118 1
1 240 . 14 1 1 A 21 21 THR CB C 21 70.007 70.810 -0.803 1
1 242 . 14 1 1 A 21 21 THR N N 21 113.989 118.337 -4.348 1
1 243 . 14 1 1 A 22 22 ASP H H 22 8.497 9.031 -0.534 1
1 244 . 14 1 1 A 22 22 ASP HA H 22 4.737 4.202 0.535 1
1 247 . 14 1 1 A 22 22 ASP C C 22 176.877 175.622 1.255 1
1 248 . 14 1 1 A 22 22 ASP CA C 22 54.739 54.734 0.005 1
1 249 . 14 1 1 A 22 22 ASP CB C 22 41.047 39.331 1.716 1
1 250 . 14 1 1 A 22 22 ASP N N 22 122.136 126.038 -3.902 1
1 251 . 14 1 1 A 23 23 GLY H H 23 8.499 7.993 0.506 1
1 252 . 14 1 1 A 23 23 GLY HA2 H 23 4.087 3.836 0.251 1
1 253 . 14 1 1 A 23 23 GLY HA3 H 23 4.087 3.861 0.226 1
1 254 . 14 1 1 A 23 23 GLY C C 23 174.775 174.701 0.074 1
1 255 . 14 1 1 A 23 23 GLY CA C 23 45.815 46.505 -0.690 1
1 256 . 14 1 1 A 23 23 GLY N N 23 109.353 111.771 -2.418 1
1 257 . 14 1 1 A 24 24 THR H H 24 8.151 8.594 -0.443 1
1 258 . 14 1 1 A 24 24 THR HA H 24 4.345 4.220 0.125 1
1 263 . 14 1 1 A 24 24 THR C C 24 174.220 174.353 -0.133 1
1 264 . 14 1 1 A 24 24 THR CA C 24 63.084 63.992 -0.908 1
1 265 . 14 1 1 A 24 24 THR CB C 24 69.889 68.050 1.839 1
1 267 . 14 1 1 A 24 24 THR N N 24 115.906 121.747 -5.841 1
1 268 . 14 1 1 A 25 25 ASP H H 25 8.617 8.743 -0.126 1
1 269 . 14 1 1 A 25 25 ASP HA H 25 4.726 4.834 -0.108 1
1 272 . 14 1 1 A 25 25 ASP C C 25 176.172 176.920 -0.748 1
1 273 . 14 1 1 A 25 25 ASP CA C 25 54.459 52.685 1.774 1
1 274 . 14 1 1 A 25 25 ASP CB C 25 41.038 40.452 0.586 1
1 275 . 14 1 1 A 25 25 ASP N N 25 123.841 126.593 -2.752 1
1 276 . 14 1 1 A 26 26 LEU H H 26 8.468 7.811 0.657 1
1 277 . 14 1 1 A 26 26 LEU HA H 26 4.375 4.361 0.014 1
1 287 . 14 1 1 A 26 26 LEU C C 26 176.307 176.187 0.120 1
1 288 . 14 1 1 A 26 26 LEU CA C 26 54.128 55.519 -1.391 1
1 289 . 14 1 1 A 26 26 LEU CB C 26 41.100 41.874 -0.774 1
1 293 . 14 1 1 A 26 26 LEU N N 26 123.615 121.915 1.700 1
1 294 . 14 1 1 A 27 27 SER H H 27 8.207 7.573 0.634 1
1 295 . 14 1 1 A 27 27 SER HA H 27 4.303 4.505 -0.202 1
1 298 . 14 1 1 A 27 27 SER C C 27 175.019 174.655 0.364 1
1 299 . 14 1 1 A 27 27 SER CA C 27 59.818 59.135 0.683 1
1 300 . 14 1 1 A 27 27 SER CB C 27 64.198 63.412 0.786 1
1 301 . 14 1 1 A 27 27 SER N N 27 115.102 113.762 1.340 1
1 302 . 14 1 1 A 28 28 GLY H H 28 8.581 8.589 -0.008 1
1 303 . 14 1 1 A 28 28 GLY HA2 H 28 4.244 4.091 0.153 1
1 304 . 14 1 1 A 28 28 GLY HA3 H 28 3.890 4.092 -0.202 1
1 305 . 14 1 1 A 28 28 GLY C C 28 174.264 172.770 1.494 1
1 306 . 14 1 1 A 28 28 GLY CA C 28 45.393 44.727 0.666 1
1 307 . 14 1 1 A 28 28 GLY N N 28 111.287 109.414 1.873 1
1 308 . 14 1 1 A 29 29 ASP H H 29 8.680 8.455 0.225 1
1 309 . 14 1 1 A 29 29 ASP HA H 29 4.859 5.059 -0.200 1
1 312 . 14 1 1 A 29 29 ASP C C 29 176.461 176.418 0.043 1
1 313 . 14 1 1 A 29 29 ASP CA C 29 54.284 53.065 1.219 1
1 314 . 14 1 1 A 29 29 ASP CB C 29 39.716 41.305 -1.589 1
1 315 . 14 1 1 A 29 29 ASP N N 29 123.263 124.575 -1.312 1
1 316 . 14 1 1 A 30 30 PHE H H 30 8.064 8.553 -0.489 1
1 317 . 14 1 1 A 30 30 PHE HA H 30 4.766 4.717 0.049 1
1 325 . 14 1 1 A 30 30 PHE C C 30 175.486 176.610 -1.124 1
1 326 . 14 1 1 A 30 30 PHE CA C 30 57.460 57.204 0.256 1
1 327 . 14 1 1 A 30 30 PHE CB C 30 40.521 39.378 1.143 1
1 333 . 14 1 1 A 30 30 PHE N N 30 122.340 123.017 -0.677 1
1 334 . 14 1 1 A 31 31 LEU H H 31 7.535 7.221 0.314 1
1 335 . 14 1 1 A 31 31 LEU HA H 31 3.309 3.692 -0.383 1
1 345 . 14 1 1 A 31 31 LEU C C 31 176.442 177.349 -0.907 1
1 346 . 14 1 1 A 31 31 LEU CA C 31 57.841 57.065 0.776 1
1 347 . 14 1 1 A 31 31 LEU CB C 31 42.121 41.567 0.554 1
1 351 . 14 1 1 A 31 31 LEU N N 31 118.974 122.073 -3.099 1
1 352 . 14 1 1 A 32 32 ASP H H 32 8.081 7.557 0.524 1
1 353 . 14 1 1 A 32 32 ASP HA H 32 5.057 4.571 0.486 1
1 356 . 14 1 1 A 32 32 ASP C C 32 176.035 176.213 -0.178 1
1 357 . 14 1 1 A 32 32 ASP CA C 32 53.745 55.473 -1.728 1
1 358 . 14 1 1 A 32 32 ASP CB C 32 41.757 41.884 -0.127 1
1 359 . 14 1 1 A 32 32 ASP N N 32 111.858 117.400 -5.542 1
1 360 . 14 1 1 A 33 33 LEU H H 33 7.223 7.499 -0.276 1
1 361 . 14 1 1 A 33 33 LEU HA H 33 4.315 4.184 0.131 1
1 371 . 14 1 1 A 33 33 LEU C C 33 174.834 175.870 -1.036 1
1 372 . 14 1 1 A 33 33 LEU CA C 33 54.484 54.591 -0.107 1
1 373 . 14 1 1 A 33 33 LEU CB C 33 42.469 41.653 0.816 1
1 377 . 14 1 1 A 33 33 LEU N N 33 122.072 122.147 -0.075 1
1 378 . 14 1 1 A 34 34 ARG H H 34 8.486 8.814 -0.328 1
1 379 . 14 1 1 A 34 34 ARG HA H 34 4.746 4.247 0.499 1
1 387 . 14 1 1 A 34 34 ARG C C 34 179.695 177.691 2.004 1
1 388 . 14 1 1 A 34 34 ARG CA C 34 55.460 56.112 -0.652 1
1 389 . 14 1 1 A 34 34 ARG CB C 34 29.981 30.555 -0.574 1
1 393 . 14 1 1 A 34 34 ARG N N 34 116.268 124.966 -8.698 1
1 395 . 14 1 1 A 35 35 PHE H H 35 8.453 8.187 0.266 1
1 396 . 14 1 1 A 35 35 PHE HA H 35 4.398 4.144 0.254 1
1 404 . 14 1 1 A 35 35 PHE C C 35 178.728 178.026 0.702 1
1 405 . 14 1 1 A 35 35 PHE CA C 35 62.994 61.123 1.871 1
1 406 . 14 1 1 A 35 35 PHE CB C 35 37.964 38.506 -0.542 1
1 412 . 14 1 1 A 35 35 PHE N N 35 123.273 122.111 1.162 1
1 413 . 14 1 1 A 36 36 GLU H H 36 9.540 8.487 1.053 1
1 414 . 14 1 1 A 36 36 GLU HA H 36 4.357 4.052 0.305 1
1 419 . 14 1 1 A 36 36 GLU C C 36 178.636 178.193 0.443 1
1 420 . 14 1 1 A 36 36 GLU CA C 36 59.160 60.081 -0.921 1
1 421 . 14 1 1 A 36 36 GLU CB C 36 29.610 29.468 0.142 1
1 423 . 14 1 1 A 36 36 GLU N N 36 117.074 119.727 -2.653 1
1 424 . 14 1 1 A 37 37 ASP H H 37 7.532 7.692 -0.160 1
1 425 . 14 1 1 A 37 37 ASP HA H 37 4.811 4.426 0.385 1
1 428 . 14 1 1 A 37 37 ASP C C 37 177.974 177.420 0.554 1
1 429 . 14 1 1 A 37 37 ASP CA C 37 56.496 56.227 0.269 1
1 430 . 14 1 1 A 37 37 ASP CB C 37 41.271 40.879 0.392 1
1 431 . 14 1 1 A 37 37 ASP N N 37 118.229 119.328 -1.099 1
1 432 . 14 1 1 A 38 38 ILE H H 38 7.728 7.489 0.239 1
1 433 . 14 1 1 A 38 38 ILE HA H 38 4.676 4.362 0.314 1
1 443 . 14 1 1 A 38 38 ILE C C 38 176.102 176.181 -0.079 1
1 444 . 14 1 1 A 38 38 ILE CA C 38 61.973 60.560 1.413 1
1 445 . 14 1 1 A 38 38 ILE CB C 38 38.682 37.540 1.142 1
1 449 . 14 1 1 A 38 38 ILE N N 38 112.806 112.683 0.123 1
1 450 . 14 1 1 A 39 39 GLY H H 39 7.735 7.659 0.076 1
1 451 . 14 1 1 A 39 39 GLY HA2 H 39 4.271 4.058 0.213 1
1 452 . 14 1 1 A 39 39 GLY HA3 H 39 3.898 4.058 -0.160 1
1 453 . 14 1 1 A 39 39 GLY C C 39 174.444 174.122 0.322 1
1 454 . 14 1 1 A 39 39 GLY CA C 39 46.438 46.463 -0.025 1
1 455 . 14 1 1 A 39 39 GLY N N 39 107.120 111.110 -3.990 1
1 456 . 14 1 1 A 40 40 TYR H H 40 8.081 8.173 -0.092 1
1 457 . 14 1 1 A 40 40 TYR HA H 40 4.586 4.808 -0.222 1
1 464 . 14 1 1 A 40 40 TYR C C 40 174.461 175.430 -0.969 1
1 465 . 14 1 1 A 40 40 TYR CA C 40 58.185 57.443 0.742 1
1 466 . 14 1 1 A 40 40 TYR CB C 40 40.424 41.131 -0.707 1
1 471 . 14 1 1 A 40 40 TYR N N 40 121.688 118.179 3.509 1
1 472 . 14 1 1 A 41 41 ASP H H 41 8.040 8.902 -0.862 1
1 473 . 14 1 1 A 41 41 ASP HA H 41 4.727 4.811 -0.084 1
1 476 . 14 1 1 A 41 41 ASP C C 41 175.980 177.438 -1.458 1
1 477 . 14 1 1 A 41 41 ASP CA C 41 52.812 54.253 -1.441 1
1 478 . 14 1 1 A 41 41 ASP CB C 41 42.068 41.587 0.481 1
1 479 . 14 1 1 A 41 41 ASP N N 41 124.041 124.395 -0.354 1
1 480 . 14 1 1 A 42 42 SER H H 42 8.561 9.080 -0.519 1
1 481 . 14 1 1 A 42 42 SER HA H 42 4.198 4.067 0.131 1
1 484 . 14 1 1 A 42 42 SER C C 42 176.472 176.774 -0.302 1
1 485 . 14 1 1 A 42 42 SER CA C 42 62.309 62.196 0.113 1
1 486 . 14 1 1 A 42 42 SER CB C 42 62.943 62.455 0.488 1
1 487 . 14 1 1 A 42 42 SER N N 42 114.493 118.589 -4.096 1
1 488 . 14 1 1 A 43 43 LEU H H 43 7.804 8.141 -0.337 1
1 489 . 14 1 1 A 43 43 LEU HA H 43 4.270 4.055 0.215 1
1 499 . 14 1 1 A 43 43 LEU C C 43 179.551 178.431 1.120 1
1 500 . 14 1 1 A 43 43 LEU CA C 43 58.369 57.867 0.502 1
1 501 . 14 1 1 A 43 43 LEU CB C 43 41.057 41.428 -0.371 1
1 505 . 14 1 1 A 43 43 LEU N N 43 122.459 124.582 -2.123 1
1 506 . 14 1 1 A 44 44 ALA H H 44 8.064 8.035 0.029 1
1 507 . 14 1 1 A 44 44 ALA HA H 44 4.334 4.009 0.325 1
1 511 . 14 1 1 A 44 44 ALA C C 44 181.733 179.901 1.832 1
1 512 . 14 1 1 A 44 44 ALA CA C 44 54.987 55.209 -0.222 1
1 513 . 14 1 1 A 44 44 ALA CB C 44 18.500 18.300 0.200 1
1 514 . 14 1 1 A 44 44 ALA N N 44 123.223 120.762 2.461 1
1 515 . 14 1 1 A 45 45 LEU H H 45 8.422 8.303 0.119 1
1 516 . 14 1 1 A 45 45 LEU HA H 45 3.907 4.093 -0.186 1
1 526 . 14 1 1 A 45 45 LEU C C 45 178.613 178.955 -0.342 1
1 527 . 14 1 1 A 45 45 LEU CA C 45 58.419 57.646 0.773 1
1 528 . 14 1 1 A 45 45 LEU CB C 45 41.643 41.541 0.102 1
1 532 . 14 1 1 A 45 45 LEU N N 45 121.714 120.151 1.563 1
1 533 . 14 1 1 A 46 46 MET H H 46 8.344 8.526 -0.182 1
1 534 . 14 1 1 A 46 46 MET HA H 46 4.259 4.092 0.167 1
1 539 . 14 1 1 A 46 46 MET C C 46 179.856 178.454 1.402 1
1 540 . 14 1 1 A 46 46 MET CA C 46 58.769 58.585 0.184 1
1 541 . 14 1 1 A 46 46 MET CB C 46 32.022 31.592 0.430 1
1 543 . 14 1 1 A 46 46 MET N N 46 119.039 117.028 2.011 1
1 544 . 14 1 1 A 47 47 GLU H H 47 8.414 8.029 0.385 1
1 545 . 14 1 1 A 47 47 GLU HA H 47 4.257 4.046 0.211 1
1 550 . 14 1 1 A 47 47 GLU C C 47 179.208 179.267 -0.059 1
1 551 . 14 1 1 A 47 47 GLU CA C 47 59.504 59.309 0.195 1
1 552 . 14 1 1 A 47 47 GLU CB C 47 29.229 29.220 0.009 1
1 554 . 14 1 1 A 47 47 GLU N N 47 121.231 121.249 -0.018 1
1 555 . 14 1 1 A 48 48 THR H H 48 8.329 8.010 0.319 1
1 556 . 14 1 1 A 48 48 THR HA H 48 3.962 4.196 -0.234 1
1 561 . 14 1 1 A 48 48 THR C C 48 176.334 176.326 0.008 1
1 562 . 14 1 1 A 48 48 THR CA C 48 67.882 66.658 1.224 1
1 563 . 14 1 1 A 48 48 THR CB C 48 68.478 68.583 -0.105 1
1 565 . 14 1 1 A 48 48 THR N N 48 118.600 116.912 1.688 1
1 566 . 14 1 1 A 49 49 ALA H H 49 8.756 8.205 0.551 1
1 567 . 14 1 1 A 49 49 ALA HA H 49 3.963 3.942 0.021 1
1 571 . 14 1 1 A 49 49 ALA C C 49 178.615 179.378 -0.763 1
1 572 . 14 1 1 A 49 49 ALA CA C 49 56.227 55.439 0.788 1
1 573 . 14 1 1 A 49 49 ALA CB C 49 17.499 17.868 -0.369 1
1 574 . 14 1 1 A 49 49 ALA N N 49 123.599 122.812 0.787 1
1 575 . 14 1 1 A 50 50 ALA H H 50 8.191 8.369 -0.178 1
1 576 . 14 1 1 A 50 50 ALA HA H 50 4.281 4.141 0.140 1
1 580 . 14 1 1 A 50 50 ALA C C 50 181.272 180.186 1.086 1
1 581 . 14 1 1 A 50 50 ALA CA C 50 55.488 55.354 0.134 1
1 582 . 14 1 1 A 50 50 ALA CB C 50 18.107 18.294 -0.187 1
1 583 . 14 1 1 A 50 50 ALA N N 50 119.558 120.165 -0.607 1
1 584 . 14 1 1 A 51 51 ARG H H 51 8.146 7.976 0.170 1
1 585 . 14 1 1 A 51 51 ARG HA H 51 4.257 4.488 -0.231 1
1 593 . 14 1 1 A 51 51 ARG C C 51 179.815 178.890 0.925 1
1 594 . 14 1 1 A 51 51 ARG CA C 51 59.591 59.014 0.577 1
1 595 . 14 1 1 A 51 51 ARG CB C 51 30.400 29.797 0.603 1
1 599 . 14 1 1 A 51 51 ARG N N 51 119.722 117.684 2.038 1
1 601 . 14 1 1 A 52 52 LEU H H 52 8.432 8.021 0.411 1
1 602 . 14 1 1 A 52 52 LEU HA H 52 4.330 4.234 0.096 1
1 612 . 14 1 1 A 52 52 LEU C C 52 179.152 179.316 -0.164 1
1 613 . 14 1 1 A 52 52 LEU CA C 52 58.139 58.199 -0.060 1
1 614 . 14 1 1 A 52 52 LEU CB C 52 42.615 41.111 1.504 1
1 618 . 14 1 1 A 52 52 LEU N N 52 120.470 120.196 0.274 1
1 619 . 14 1 1 A 53 53 GLU H H 53 8.989 8.497 0.492 1
1 620 . 14 1 1 A 53 53 GLU HA H 53 4.105 3.993 0.112 1
1 625 . 14 1 1 A 53 53 GLU C C 53 179.370 178.681 0.689 1
1 626 . 14 1 1 A 53 53 GLU CA C 53 60.145 59.877 0.268 1
1 627 . 14 1 1 A 53 53 GLU CB C 53 29.184 29.309 -0.125 1
1 629 . 14 1 1 A 53 53 GLU N N 53 119.668 118.238 1.430 1
1 630 . 14 1 1 A 54 54 SER H H 54 8.028 8.545 -0.517 1
1 631 . 14 1 1 A 54 54 SER HA H 54 4.392 4.171 0.221 1
1 634 . 14 1 1 A 54 54 SER C C 54 176.891 176.601 0.290 1
1 635 . 14 1 1 A 54 54 SER CA C 54 61.162 61.074 0.088 1
1 636 . 14 1 1 A 54 54 SER CB C 54 63.222 62.629 0.593 1
1 637 . 14 1 1 A 54 54 SER N N 54 112.842 114.783 -1.941 1
1 638 . 14 1 1 A 55 55 ARG H H 55 8.070 8.238 -0.168 1
1 639 . 14 1 1 A 55 55 ARG HA H 55 4.111 3.942 0.169 1
1 647 . 14 1 1 A 55 55 ARG C C 55 177.830 177.795 0.035 1
1 648 . 14 1 1 A 55 55 ARG CA C 55 58.824 59.022 -0.198 1
1 649 . 14 1 1 A 55 55 ARG CB C 55 30.829 29.896 0.933 1
1 653 . 14 1 1 A 55 55 ARG N N 55 120.550 122.690 -2.140 1
1 655 . 14 1 1 A 56 56 TYR H H 56 8.171 7.859 0.312 1
1 656 . 14 1 1 A 56 56 TYR HA H 56 4.685 4.633 0.052 1
1 663 . 14 1 1 A 56 56 TYR C C 56 176.027 176.094 -0.067 1
1 664 . 14 1 1 A 56 56 TYR CA C 56 59.110 57.993 1.117 1
1 665 . 14 1 1 A 56 56 TYR CB C 56 39.339 38.890 0.449 1
1 670 . 14 1 1 A 56 56 TYR N N 56 113.561 115.260 -1.699 1
1 671 . 14 1 1 A 57 57 GLY H H 57 7.998 8.405 -0.407 1
1 672 . 14 1 1 A 57 57 GLY HA2 H 57 4.105 3.991 0.114 1
1 673 . 14 1 1 A 57 57 GLY HA3 H 57 4.105 3.999 0.106 1
1 674 . 14 1 1 A 57 57 GLY C C 57 174.600 173.710 0.890 1
1 675 . 14 1 1 A 57 57 GLY CA C 57 47.349 46.874 0.475 1
1 676 . 14 1 1 A 57 57 GLY N N 57 109.470 109.895 -0.425 1
1 677 . 14 1 1 A 58 58 VAL H H 58 7.515 7.599 -0.084 1
1 678 . 14 1 1 A 58 58 VAL HA H 58 4.694 4.769 -0.075 1
1 686 . 14 1 1 A 58 58 VAL C C 58 174.016 173.803 0.213 1
1 687 . 14 1 1 A 58 58 VAL CA C 58 59.282 59.558 -0.276 1
1 688 . 14 1 1 A 58 58 VAL CB C 58 34.791 35.723 -0.932 1
1 691 . 14 1 1 A 58 58 VAL N N 58 112.406 118.978 -6.572 1
1 692 . 14 1 1 A 59 59 SER H H 59 8.489 8.832 -0.343 1
1 693 . 14 1 1 A 59 59 SER HA H 59 4.847 5.611 -0.764 1
1 696 . 14 1 1 A 59 59 SER C C 59 173.643 172.839 0.804 1
1 697 . 14 1 1 A 59 59 SER CA C 59 57.213 57.153 0.060 1
1 698 . 14 1 1 A 59 59 SER CB C 59 64.285 65.088 -0.803 1
1 699 . 14 1 1 A 59 59 SER N N 59 116.724 118.205 -1.481 1
1 700 . 14 1 1 A 60 60 ILE H H 60 8.224 9.412 -1.188 1
1 701 . 14 1 1 A 60 60 ILE HA H 60 4.676 4.621 0.055 1
1 711 . 14 1 1 A 60 60 ILE CA C 60 57.702 58.041 -0.339 1
1 712 . 14 1 1 A 60 60 ILE CB C 60 40.520 38.880 1.640 1
1 716 . 14 1 1 A 60 60 ILE N N 60 125.582 126.834 -1.252 1
1 717 . 14 1 1 A 61 61 PRO HA H 61 4.543 4.577 -0.034 1
1 724 . 14 1 1 A 61 61 PRO C C 61 177.547 177.576 -0.029 1
1 725 . 14 1 1 A 61 61 PRO CA C 61 63.523 63.200 0.323 1
1 726 . 14 1 1 A 61 61 PRO CB C 61 32.704 31.967 0.737 1
1 729 . 14 1 1 A 62 62 ASP H H 62 8.857 8.681 0.176 1
1 730 . 14 1 1 A 62 62 ASP HA H 62 4.447 4.292 0.155 1
1 733 . 14 1 1 A 62 62 ASP C C 62 177.504 178.064 -0.560 1
1 734 . 14 1 1 A 62 62 ASP CA C 62 57.105 57.759 -0.654 1
1 735 . 14 1 1 A 62 62 ASP CB C 62 40.668 40.659 0.009 1
1 736 . 14 1 1 A 62 62 ASP N N 62 123.624 123.224 0.400 1
1 737 . 14 1 1 A 63 63 ASP H H 63 8.691 8.183 0.508 1
1 738 . 14 1 1 A 63 63 ASP HA H 63 4.508 4.408 0.100 1
1 741 . 14 1 1 A 63 63 ASP C C 63 177.468 178.573 -1.105 1
1 742 . 14 1 1 A 63 63 ASP CA C 63 55.267 57.183 -1.916 1
1 743 . 14 1 1 A 63 63 ASP CB C 63 39.691 41.191 -1.500 1
1 744 . 14 1 1 A 63 63 ASP N N 63 116.744 119.209 -2.465 1
1 745 . 14 1 1 A 64 64 VAL H H 64 7.388 7.566 -0.178 1
1 746 . 14 1 1 A 64 64 VAL HA H 64 3.789 3.602 0.187 1
1 754 . 14 1 1 A 64 64 VAL C C 64 177.793 177.873 -0.080 1
1 755 . 14 1 1 A 64 64 VAL CA C 64 65.251 66.367 -1.116 1
1 756 . 14 1 1 A 64 64 VAL CB C 64 32.347 31.463 0.884 1
1 759 . 14 1 1 A 64 64 VAL N N 64 119.303 119.346 -0.043 1
1 760 . 14 1 1 A 65 65 ALA H H 65 8.212 8.579 -0.367 1
1 761 . 14 1 1 A 65 65 ALA HA H 65 3.967 3.983 -0.016 1
1 765 . 14 1 1 A 65 65 ALA C C 65 178.005 179.469 -1.464 1
1 766 . 14 1 1 A 65 65 ALA CA C 65 55.196 55.190 0.006 1
1 767 . 14 1 1 A 65 65 ALA CB C 65 18.373 18.299 0.074 1
1 768 . 14 1 1 A 65 65 ALA N N 65 122.060 121.764 0.296 1
1 769 . 14 1 1 A 66 66 GLY H H 66 7.995 8.429 -0.434 1
1 770 . 14 1 1 A 66 66 GLY HA2 H 66 4.133 3.933 0.200 1
1 771 . 14 1 1 A 66 66 GLY HA3 H 66 3.912 3.948 -0.036 1
1 772 . 14 1 1 A 66 66 GLY C C 66 174.615 174.759 -0.144 1
1 773 . 14 1 1 A 66 66 GLY CA C 66 45.925 45.599 0.326 1
1 774 . 14 1 1 A 66 66 GLY N N 66 99.445 105.149 -5.704 1
1 775 . 14 1 1 A 67 67 ARG H H 67 7.478 8.006 -0.528 1
1 776 . 14 1 1 A 67 67 ARG HA H 67 4.659 4.399 0.260 1
1 784 . 14 1 1 A 67 67 ARG C C 67 176.470 175.926 0.544 1
1 785 . 14 1 1 A 67 67 ARG CA C 67 55.647 57.510 -1.863 1
1 786 . 14 1 1 A 67 67 ARG CB C 67 31.843 30.871 0.972 1
1 790 . 14 1 1 A 67 67 ARG N N 67 116.761 119.962 -3.201 1
1 792 . 14 1 1 A 68 68 VAL H H 68 7.244 7.110 0.134 1
1 793 . 14 1 1 A 68 68 VAL HA H 68 4.437 4.137 0.300 1
1 801 . 14 1 1 A 68 68 VAL C C 68 175.250 175.698 -0.448 1
1 802 . 14 1 1 A 68 68 VAL CA C 68 61.919 61.872 0.047 1
1 803 . 14 1 1 A 68 68 VAL CB C 68 33.329 31.669 1.660 1
1 806 . 14 1 1 A 68 68 VAL N N 68 114.725 115.588 -0.863 1
1 807 . 14 1 1 A 69 69 ASP H H 69 9.180 9.295 -0.115 1
1 808 . 14 1 1 A 69 69 ASP HA H 69 5.272 4.889 0.383 1
1 811 . 14 1 1 A 69 69 ASP C C 69 177.035 176.065 0.970 1
1 812 . 14 1 1 A 69 69 ASP CA C 69 55.862 55.722 0.140 1
1 813 . 14 1 1 A 69 69 ASP CB C 69 44.421 42.427 1.994 1
1 814 . 14 1 1 A 69 69 ASP N N 69 120.929 126.221 -5.292 1
1 815 . 14 1 1 A 70 70 THR H H 70 7.490 7.506 -0.016 1
1 816 . 14 1 1 A 70 70 THR HA H 70 4.969 4.507 0.462 1
1 821 . 14 1 1 A 70 70 THR CA C 70 57.776 58.236 -0.460 1
1 822 . 14 1 1 A 70 70 THR CB C 70 71.416 70.555 0.861 1
1 824 . 14 1 1 A 70 70 THR N N 70 107.879 108.428 -0.549 1
1 825 . 14 1 1 A 71 71 PRO HA H 71 4.247 4.329 -0.082 1
1 832 . 14 1 1 A 71 71 PRO C C 71 177.413 178.174 -0.761 1
1 833 . 14 1 1 A 71 71 PRO CA C 71 65.812 65.257 0.555 1
1 834 . 14 1 1 A 71 71 PRO CB C 71 32.647 31.516 1.131 1
1 837 . 14 1 1 A 72 72 ARG H H 72 9.000 8.520 0.480 1
1 838 . 14 1 1 A 72 72 ARG HA H 72 3.619 3.991 -0.372 1
1 850 . 14 1 1 A 72 72 ARG C C 72 177.530 178.592 -1.062 1
1 851 . 14 1 1 A 72 72 ARG CA C 72 60.211 58.999 1.212 1
1 852 . 14 1 1 A 72 72 ARG CB C 72 30.433 29.848 0.585 1
1 856 . 14 1 1 A 72 72 ARG N N 72 117.747 116.695 1.052 1
1 860 . 14 1 1 A 73 73 GLU H H 73 7.840 7.793 0.047 1
1 861 . 14 1 1 A 73 73 GLU HA H 73 4.245 4.034 0.211 1
1 866 . 14 1 1 A 73 73 GLU C C 73 180.139 179.215 0.924 1
1 867 . 14 1 1 A 73 73 GLU CA C 73 59.071 58.741 0.330 1
1 868 . 14 1 1 A 73 73 GLU CB C 73 30.230 29.646 0.584 1
1 870 . 14 1 1 A 73 73 GLU N N 73 116.639 119.338 -2.699 1
1 871 . 14 1 1 A 74 74 LEU H H 74 7.693 7.701 -0.008 1
1 872 . 14 1 1 A 74 74 LEU HA H 74 4.324 4.045 0.279 1
1 882 . 14 1 1 A 74 74 LEU C C 74 177.000 178.215 -1.215 1
1 883 . 14 1 1 A 74 74 LEU CA C 74 58.123 58.124 -0.001 1
1 884 . 14 1 1 A 74 74 LEU CB C 74 42.242 41.763 0.479 1
1 888 . 14 1 1 A 74 74 LEU N N 74 120.218 122.144 -1.926 1
1 889 . 14 1 1 A 75 75 LEU H H 75 8.731 8.342 0.389 1
1 890 . 14 1 1 A 75 75 LEU HA H 75 3.904 3.923 -0.019 1
1 900 . 14 1 1 A 75 75 LEU C C 75 178.122 177.875 0.247 1
1 901 . 14 1 1 A 75 75 LEU CA C 75 58.462 58.168 0.294 1
1 902 . 14 1 1 A 75 75 LEU CB C 75 42.400 40.925 1.475 1
1 906 . 14 1 1 A 75 75 LEU N N 75 121.211 119.684 1.527 1
1 907 . 14 1 1 A 76 76 ASP H H 76 8.703 8.168 0.535 1
1 908 . 14 1 1 A 76 76 ASP HA H 76 4.497 4.258 0.239 1
1 911 . 14 1 1 A 76 76 ASP C C 76 180.101 178.152 1.949 1
1 912 . 14 1 1 A 76 76 ASP CA C 76 57.325 57.798 -0.473 1
1 913 . 14 1 1 A 76 76 ASP CB C 76 39.936 41.128 -1.192 1
1 914 . 14 1 1 A 76 76 ASP N N 76 117.466 118.847 -1.381 1
1 915 . 14 1 1 A 77 77 LEU H H 77 8.019 8.248 -0.229 1
1 916 . 14 1 1 A 77 77 LEU HA H 77 4.282 4.026 0.256 1
1 926 . 14 1 1 A 77 77 LEU C C 77 179.840 178.488 1.352 1
1 927 . 14 1 1 A 77 77 LEU CA C 77 58.417 58.610 -0.193 1
1 928 . 14 1 1 A 77 77 LEU CB C 77 42.856 41.623 1.233 1
1 932 . 14 1 1 A 77 77 LEU N N 77 122.891 120.270 2.621 1
1 933 . 14 1 1 A 78 78 ILE H H 78 8.281 8.106 0.175 1
1 934 . 14 1 1 A 78 78 ILE HA H 78 3.756 3.424 0.332 1
1 944 . 14 1 1 A 78 78 ILE C C 78 177.655 177.686 -0.031 1
1 945 . 14 1 1 A 78 78 ILE CA C 78 64.638 65.367 -0.729 1
1 946 . 14 1 1 A 78 78 ILE CB C 78 37.325 37.849 -0.524 1
1 950 . 14 1 1 A 78 78 ILE N N 78 119.758 119.743 0.015 1
1 951 . 14 1 1 A 79 79 ASN H H 79 8.880 8.760 0.120 1
1 952 . 14 1 1 A 79 79 ASN HA H 79 4.918 4.436 0.482 1
1 957 . 14 1 1 A 79 79 ASN C C 79 179.481 179.220 0.261 1
1 958 . 14 1 1 A 79 79 ASN CA C 79 55.446 56.266 -0.820 1
1 959 . 14 1 1 A 79 79 ASN CB C 79 37.299 37.650 -0.351 1
1 960 . 14 1 1 A 79 79 ASN N N 79 117.848 117.940 -0.092 1
1 962 . 14 1 1 A 80 80 GLY H H 80 8.441 8.689 -0.248 1
1 963 . 14 1 1 A 80 80 GLY HA2 H 80 4.036 3.829 0.207 1
1 964 . 14 1 1 A 80 80 GLY HA3 H 80 4.036 3.830 0.206 1
1 965 . 14 1 1 A 80 80 GLY C C 80 175.746 176.391 -0.645 1
1 966 . 14 1 1 A 80 80 GLY CA C 80 47.065 47.157 -0.092 1
1 967 . 14 1 1 A 80 80 GLY N N 80 110.120 108.719 1.401 1
1 968 . 14 1 1 A 81 81 ALA H H 81 7.604 8.168 -0.564 1
1 969 . 14 1 1 A 81 81 ALA HA H 81 4.467 3.994 0.473 1
1 973 . 14 1 1 A 81 81 ALA C C 81 180.565 180.182 0.383 1
1 974 . 14 1 1 A 81 81 ALA CA C 81 54.298 54.596 -0.298 1
1 975 . 14 1 1 A 81 81 ALA CB C 81 18.530 18.244 0.286 1
1 976 . 14 1 1 A 81 81 ALA N N 81 124.070 125.351 -1.281 1
1 977 . 14 1 1 A 82 82 LEU H H 82 8.299 8.513 -0.214 1
1 978 . 14 1 1 A 82 82 LEU HA H 82 4.219 4.028 0.191 1
1 988 . 14 1 1 A 82 82 LEU C C 82 178.837 178.992 -0.155 1
1 989 . 14 1 1 A 82 82 LEU CA C 82 56.967 57.877 -0.910 1
1 990 . 14 1 1 A 82 82 LEU CB C 82 42.610 41.188 1.422 1
1 994 . 14 1 1 A 82 82 LEU N N 82 119.823 120.368 -0.545 1
1 995 . 14 1 1 A 83 83 ALA H H 83 7.964 8.174 -0.210 1
1 996 . 14 1 1 A 83 83 ALA HA H 83 4.298 4.036 0.262 1
1 1000 . 14 1 1 A 83 83 ALA C C 83 178.739 179.274 -0.535 1
1 1001 . 14 1 1 A 83 83 ALA CA C 83 53.965 55.321 -1.356 1
1 1002 . 14 1 1 A 83 83 ALA CB C 83 18.917 18.379 0.538 1
1 1003 . 14 1 1 A 83 83 ALA N N 83 121.306 122.128 -0.822 1
1 1004 . 14 1 1 A 84 84 GLU H H 84 7.746 7.997 -0.251 1
1 1005 . 14 1 1 A 84 84 GLU HA H 84 4.396 4.389 0.007 1
1 1010 . 14 1 1 A 84 84 GLU C C 84 176.347 176.376 -0.029 1
1 1011 . 14 1 1 A 84 84 GLU CA C 84 56.739 56.678 0.061 1
1 1012 . 14 1 1 A 84 84 GLU CB C 84 30.126 30.112 0.014 1
1 1014 . 14 1 1 A 84 84 GLU N N 84 117.080 115.488 1.592 1
1 1015 . 14 1 1 A 85 85 ALA H H 85 7.832 7.511 0.321 1
1 1016 . 14 1 1 A 85 85 ALA HA H 85 4.485 4.392 0.093 1
1 1020 . 14 1 1 A 85 85 ALA C C 85 176.564 176.386 0.178 1
1 1021 . 14 1 1 A 85 85 ALA CA C 85 52.485 51.580 0.905 1
1 1022 . 14 1 1 A 85 85 ALA CB C 85 19.529 17.497 2.032 1
1 1023 . 14 1 1 A 85 85 ALA N N 85 124.010 124.881 -0.871 1
1 1 . 15 1 1 A 2 2 ALA HA H 2 4.297 4.448 -0.151 1
1 5 . 15 1 1 A 2 2 ALA C C 2 173.708 177.252 -3.544 1
1 6 . 15 1 1 A 2 2 ALA CA C 2 51.945 52.417 -0.472 1
1 7 . 15 1 1 A 2 2 ALA CB C 2 19.979 19.369 0.610 1
1 8 . 15 1 1 A 3 3 THR H H 3 8.680 8.672 0.008 1
1 9 . 15 1 1 A 3 3 THR HA H 3 4.411 4.377 0.034 1
1 14 . 15 1 1 A 3 3 THR C C 3 172.914 174.006 -1.092 1
1 15 . 15 1 1 A 3 3 THR CA C 3 62.665 61.715 0.950 1
1 16 . 15 1 1 A 3 3 THR CB C 3 69.902 69.013 0.889 1
1 18 . 15 1 1 A 3 3 THR N N 3 117.458 112.504 4.954 1
1 19 . 15 1 1 A 4 4 LEU H H 4 8.145 8.549 -0.404 1
1 20 . 15 1 1 A 4 4 LEU HA H 4 4.384 4.238 0.146 1
1 30 . 15 1 1 A 4 4 LEU C C 4 177.176 176.674 0.502 1
1 31 . 15 1 1 A 4 4 LEU CA C 4 54.765 55.431 -0.666 1
1 32 . 15 1 1 A 4 4 LEU CB C 4 42.790 43.028 -0.238 1
1 36 . 15 1 1 A 4 4 LEU N N 4 124.380 128.124 -3.744 1
1 37 . 15 1 1 A 5 5 LEU H H 5 9.419 8.324 1.095 1
1 38 . 15 1 1 A 5 5 LEU HA H 5 4.536 4.905 -0.369 1
1 48 . 15 1 1 A 5 5 LEU C C 5 177.849 176.860 0.989 1
1 49 . 15 1 1 A 5 5 LEU CA C 5 55.488 53.349 2.139 1
1 50 . 15 1 1 A 5 5 LEU CB C 5 42.700 43.224 -0.524 1
1 54 . 15 1 1 A 5 5 LEU N N 5 124.415 125.156 -0.741 1
1 55 . 15 1 1 A 6 6 THR H H 6 8.995 8.794 0.201 1
1 56 . 15 1 1 A 6 6 THR HA H 6 4.783 4.740 0.043 1
1 61 . 15 1 1 A 6 6 THR C C 6 175.943 176.387 -0.444 1
1 62 . 15 1 1 A 6 6 THR CA C 6 59.961 60.075 -0.114 1
1 63 . 15 1 1 A 6 6 THR CB C 6 72.429 71.380 1.049 1
1 65 . 15 1 1 A 6 6 THR N N 6 114.757 115.861 -1.104 1
1 66 . 15 1 1 A 7 7 THR H H 7 8.851 9.000 -0.149 1
1 67 . 15 1 1 A 7 7 THR HA H 7 3.881 3.986 -0.105 1
1 72 . 15 1 1 A 7 7 THR C C 7 176.566 176.198 0.368 1
1 73 . 15 1 1 A 7 7 THR CA C 7 67.277 66.876 0.401 1
1 74 . 15 1 1 A 7 7 THR CB C 7 68.542 68.544 -0.002 1
1 76 . 15 1 1 A 7 7 THR N N 7 115.540 116.839 -1.299 1
1 77 . 15 1 1 A 8 8 ASP H H 8 8.279 7.863 0.416 1
1 78 . 15 1 1 A 8 8 ASP HA H 8 4.638 4.417 0.221 1
1 81 . 15 1 1 A 8 8 ASP C C 8 178.553 178.519 0.034 1
1 82 . 15 1 1 A 8 8 ASP CA C 8 57.738 57.267 0.471 1
1 83 . 15 1 1 A 8 8 ASP CB C 8 41.219 40.774 0.445 1
1 84 . 15 1 1 A 8 8 ASP N N 8 119.967 120.864 -0.897 1
1 85 . 15 1 1 A 9 9 ASP H H 9 7.905 8.018 -0.113 1
1 86 . 15 1 1 A 9 9 ASP HA H 9 4.573 4.511 0.062 1
1 89 . 15 1 1 A 9 9 ASP C C 9 179.411 178.734 0.677 1
1 90 . 15 1 1 A 9 9 ASP CA C 9 57.667 57.562 0.105 1
1 91 . 15 1 1 A 9 9 ASP CB C 9 41.453 40.627 0.826 1
1 92 . 15 1 1 A 9 9 ASP N N 9 120.222 118.812 1.410 1
1 93 . 15 1 1 A 10 10 LEU H H 10 8.097 8.059 0.038 1
1 94 . 15 1 1 A 10 10 LEU HA H 10 4.225 4.171 0.054 1
1 104 . 15 1 1 A 10 10 LEU C C 10 177.475 178.402 -0.927 1
1 105 . 15 1 1 A 10 10 LEU CA C 10 57.959 58.016 -0.057 1
1 106 . 15 1 1 A 10 10 LEU CB C 10 42.013 41.600 0.413 1
1 110 . 15 1 1 A 10 10 LEU N N 10 121.315 120.530 0.785 1
1 111 . 15 1 1 A 11 11 ARG H H 11 8.841 8.488 0.353 1
1 112 . 15 1 1 A 11 11 ARG HA H 11 3.524 3.864 -0.340 1
1 120 . 15 1 1 A 11 11 ARG C C 11 177.728 178.695 -0.967 1
1 121 . 15 1 1 A 11 11 ARG CA C 11 60.662 59.860 0.802 1
1 122 . 15 1 1 A 11 11 ARG CB C 11 30.618 30.148 0.470 1
1 126 . 15 1 1 A 11 11 ARG N N 11 119.774 119.619 0.155 1
1 128 . 15 1 1 A 12 12 ARG H H 12 7.988 8.278 -0.290 1
1 129 . 15 1 1 A 12 12 ARG HA H 12 4.041 4.052 -0.011 1
1 137 . 15 1 1 A 12 12 ARG C C 12 178.452 179.103 -0.651 1
1 138 . 15 1 1 A 12 12 ARG CA C 12 59.748 59.162 0.586 1
1 139 . 15 1 1 A 12 12 ARG CB C 12 30.414 30.060 0.354 1
1 143 . 15 1 1 A 12 12 ARG N N 12 115.529 118.248 -2.719 1
1 145 . 15 1 1 A 13 13 ALA H H 13 7.722 7.597 0.125 1
1 146 . 15 1 1 A 13 13 ALA HA H 13 4.412 4.169 0.243 1
1 150 . 15 1 1 A 13 13 ALA C C 13 180.069 180.390 -0.321 1
1 151 . 15 1 1 A 13 13 ALA CA C 13 54.990 55.180 -0.190 1
1 152 . 15 1 1 A 13 13 ALA CB C 13 18.654 18.053 0.601 1
1 153 . 15 1 1 A 13 13 ALA N N 13 119.900 121.780 -1.880 1
1 154 . 15 1 1 A 14 14 LEU H H 14 8.419 8.071 0.348 1
1 155 . 15 1 1 A 14 14 LEU HA H 14 4.418 4.290 0.128 1
1 165 . 15 1 1 A 14 14 LEU C C 14 180.574 179.197 1.377 1
1 166 . 15 1 1 A 14 14 LEU CA C 14 57.488 57.977 -0.489 1
1 167 . 15 1 1 A 14 14 LEU CB C 14 42.008 42.151 -0.143 1
1 171 . 15 1 1 A 14 14 LEU N N 14 119.013 118.138 0.875 1
1 172 . 15 1 1 A 15 15 VAL H H 15 8.501 8.066 0.435 1
1 173 . 15 1 1 A 15 15 VAL HA H 15 3.929 3.515 0.414 1
1 181 . 15 1 1 A 15 15 VAL C C 15 178.956 177.209 1.747 1
1 182 . 15 1 1 A 15 15 VAL CA C 15 66.056 67.170 -1.114 1
1 183 . 15 1 1 A 15 15 VAL CB C 15 32.053 31.588 0.465 1
1 186 . 15 1 1 A 15 15 VAL N N 15 120.534 118.445 2.089 1
1 187 . 15 1 1 A 16 16 GLU H H 16 8.238 8.523 -0.285 1
1 188 . 15 1 1 A 16 16 GLU HA H 16 4.216 4.086 0.130 1
1 193 . 15 1 1 A 16 16 GLU C C 16 178.530 178.151 0.379 1
1 194 . 15 1 1 A 16 16 GLU CA C 16 58.963 59.445 -0.482 1
1 195 . 15 1 1 A 16 16 GLU CB C 16 29.866 29.459 0.407 1
1 197 . 15 1 1 A 16 16 GLU N N 16 119.771 119.519 0.252 1
1 198 . 15 1 1 A 17 17 SER H H 17 7.808 7.756 0.052 1
1 199 . 15 1 1 A 17 17 SER HA H 17 4.581 4.437 0.144 1
1 202 . 15 1 1 A 17 17 SER C C 17 174.239 176.351 -2.112 1
1 203 . 15 1 1 A 17 17 SER CA C 17 59.839 59.000 0.839 1
1 204 . 15 1 1 A 17 17 SER CB C 17 64.127 63.498 0.629 1
1 205 . 15 1 1 A 17 17 SER N N 17 113.608 114.134 -0.526 1
1 206 . 15 1 1 A 18 18 ALA H H 18 7.809 7.514 0.295 1
1 207 . 15 1 1 A 18 18 ALA HA H 18 4.358 3.817 0.541 1
1 211 . 15 1 1 A 18 18 ALA C C 18 178.239 177.298 0.941 1
1 212 . 15 1 1 A 18 18 ALA CA C 18 52.975 52.582 0.393 1
1 213 . 15 1 1 A 18 18 ALA CB C 18 19.808 19.523 0.285 1
1 214 . 15 1 1 A 18 18 ALA N N 18 123.180 123.679 -0.499 1
1 215 . 15 1 1 A 19 19 GLY H H 19 8.241 7.655 0.586 1
1 216 . 15 1 1 A 19 19 GLY HA2 H 19 4.060 3.965 0.095 1
1 217 . 15 1 1 A 19 19 GLY HA3 H 19 4.060 3.978 0.082 1
1 218 . 15 1 1 A 19 19 GLY C C 19 174.390 174.735 -0.345 1
1 219 . 15 1 1 A 19 19 GLY CA C 19 45.570 45.884 -0.314 1
1 220 . 15 1 1 A 19 19 GLY N N 19 107.414 106.700 0.714 1
1 221 . 15 1 1 A 20 20 GLU H H 20 8.501 8.563 -0.062 1
1 222 . 15 1 1 A 20 20 GLU HA H 20 4.481 4.423 0.058 1
1 227 . 15 1 1 A 20 20 GLU C C 20 176.860 175.870 0.990 1
1 228 . 15 1 1 A 20 20 GLU CA C 20 56.810 56.075 0.735 1
1 229 . 15 1 1 A 20 20 GLU CB C 20 30.060 29.539 0.521 1
1 231 . 15 1 1 A 20 20 GLU N N 20 120.517 125.465 -4.948 1
1 232 . 15 1 1 A 21 21 THR H H 21 8.251 8.102 0.149 1
1 233 . 15 1 1 A 21 21 THR HA H 21 4.526 4.314 0.212 1
1 238 . 15 1 1 A 21 21 THR C C 21 174.520 174.103 0.417 1
1 239 . 15 1 1 A 21 21 THR CA C 21 61.836 62.948 -1.112 1
1 240 . 15 1 1 A 21 21 THR CB C 21 70.007 66.490 3.517 1
1 242 . 15 1 1 A 21 21 THR N N 21 113.989 112.414 1.575 1
1 243 . 15 1 1 A 22 22 ASP H H 22 8.497 8.302 0.195 1
1 244 . 15 1 1 A 22 22 ASP HA H 22 4.737 4.264 0.473 1
1 247 . 15 1 1 A 22 22 ASP C C 22 176.877 176.895 -0.018 1
1 248 . 15 1 1 A 22 22 ASP CA C 22 54.739 56.262 -1.523 1
1 249 . 15 1 1 A 22 22 ASP CB C 22 41.047 41.297 -0.250 1
1 250 . 15 1 1 A 22 22 ASP N N 22 122.136 121.345 0.791 1
1 251 . 15 1 1 A 23 23 GLY H H 23 8.499 7.997 0.502 1
1 252 . 15 1 1 A 23 23 GLY HA2 H 23 4.087 3.933 0.154 1
1 253 . 15 1 1 A 23 23 GLY HA3 H 23 4.087 3.933 0.154 1
1 254 . 15 1 1 A 23 23 GLY C C 23 174.775 174.867 -0.092 1
1 255 . 15 1 1 A 23 23 GLY CA C 23 45.815 46.765 -0.950 1
1 256 . 15 1 1 A 23 23 GLY N N 23 109.353 105.907 3.446 1
1 257 . 15 1 1 A 24 24 THR H H 24 8.151 7.868 0.283 1
1 258 . 15 1 1 A 24 24 THR HA H 24 4.345 4.438 -0.093 1
1 263 . 15 1 1 A 24 24 THR C C 24 174.220 173.329 0.891 1
1 264 . 15 1 1 A 24 24 THR CA C 24 63.084 62.257 0.827 1
1 265 . 15 1 1 A 24 24 THR CB C 24 69.889 70.402 -0.513 1
1 267 . 15 1 1 A 24 24 THR N N 24 115.906 112.314 3.592 1
1 268 . 15 1 1 A 25 25 ASP H H 25 8.617 8.583 0.034 1
1 269 . 15 1 1 A 25 25 ASP HA H 25 4.726 4.503 0.223 1
1 272 . 15 1 1 A 25 25 ASP C C 25 176.172 176.052 0.120 1
1 273 . 15 1 1 A 25 25 ASP CA C 25 54.459 53.542 0.917 1
1 274 . 15 1 1 A 25 25 ASP CB C 25 41.038 40.052 0.986 1
1 275 . 15 1 1 A 25 25 ASP N N 25 123.841 124.241 -0.400 1
1 276 . 15 1 1 A 26 26 LEU H H 26 8.468 8.259 0.209 1
1 277 . 15 1 1 A 26 26 LEU HA H 26 4.375 4.445 -0.070 1
1 287 . 15 1 1 A 26 26 LEU C C 26 176.307 176.378 -0.071 1
1 288 . 15 1 1 A 26 26 LEU CA C 26 54.128 53.822 0.306 1
1 289 . 15 1 1 A 26 26 LEU CB C 26 41.100 40.945 0.155 1
1 293 . 15 1 1 A 26 26 LEU N N 26 123.615 126.559 -2.944 1
1 294 . 15 1 1 A 27 27 SER H H 27 8.207 7.712 0.495 1
1 295 . 15 1 1 A 27 27 SER HA H 27 4.303 4.224 0.079 1
1 298 . 15 1 1 A 27 27 SER C C 27 175.019 175.677 -0.658 1
1 299 . 15 1 1 A 27 27 SER CA C 27 59.818 60.444 -0.626 1
1 300 . 15 1 1 A 27 27 SER CB C 27 64.198 62.470 1.728 1
1 301 . 15 1 1 A 27 27 SER N N 27 115.102 116.881 -1.779 1
1 302 . 15 1 1 A 28 28 GLY H H 28 8.581 8.692 -0.111 1
1 303 . 15 1 1 A 28 28 GLY HA2 H 28 4.244 4.023 0.221 1
1 304 . 15 1 1 A 28 28 GLY HA3 H 28 3.890 4.029 -0.139 1
1 305 . 15 1 1 A 28 28 GLY C C 28 174.264 172.982 1.282 1
1 306 . 15 1 1 A 28 28 GLY CA C 28 45.393 46.123 -0.730 1
1 307 . 15 1 1 A 28 28 GLY N N 28 111.287 113.805 -2.518 1
1 308 . 15 1 1 A 29 29 ASP H H 29 8.680 8.024 0.656 1
1 309 . 15 1 1 A 29 29 ASP HA H 29 4.859 5.132 -0.273 1
1 312 . 15 1 1 A 29 29 ASP C C 29 176.461 175.517 0.944 1
1 313 . 15 1 1 A 29 29 ASP CA C 29 54.284 53.191 1.093 1
1 314 . 15 1 1 A 29 29 ASP CB C 29 39.716 43.385 -3.669 1
1 315 . 15 1 1 A 29 29 ASP N N 29 123.263 122.912 0.351 1
1 316 . 15 1 1 A 30 30 PHE H H 30 8.064 8.761 -0.697 1
1 317 . 15 1 1 A 30 30 PHE HA H 30 4.766 4.947 -0.181 1
1 325 . 15 1 1 A 30 30 PHE C C 30 175.486 176.454 -0.968 1
1 326 . 15 1 1 A 30 30 PHE CA C 30 57.460 56.817 0.643 1
1 327 . 15 1 1 A 30 30 PHE CB C 30 40.521 39.777 0.744 1
1 333 . 15 1 1 A 30 30 PHE N N 30 122.340 121.540 0.800 1
1 334 . 15 1 1 A 31 31 LEU H H 31 7.535 7.532 0.003 1
1 335 . 15 1 1 A 31 31 LEU HA H 31 3.309 3.664 -0.355 1
1 345 . 15 1 1 A 31 31 LEU C C 31 176.442 177.496 -1.054 1
1 346 . 15 1 1 A 31 31 LEU CA C 31 57.841 57.087 0.754 1
1 347 . 15 1 1 A 31 31 LEU CB C 31 42.121 41.572 0.549 1
1 351 . 15 1 1 A 31 31 LEU N N 31 118.974 122.030 -3.056 1
1 352 . 15 1 1 A 32 32 ASP H H 32 8.081 8.237 -0.156 1
1 353 . 15 1 1 A 32 32 ASP HA H 32 5.057 4.589 0.468 1
1 356 . 15 1 1 A 32 32 ASP C C 32 176.035 176.079 -0.044 1
1 357 . 15 1 1 A 32 32 ASP CA C 32 53.745 53.319 0.426 1
1 358 . 15 1 1 A 32 32 ASP CB C 32 41.757 40.150 1.607 1
1 359 . 15 1 1 A 32 32 ASP N N 32 111.858 114.982 -3.124 1
1 360 . 15 1 1 A 33 33 LEU H H 33 7.223 7.317 -0.094 1
1 361 . 15 1 1 A 33 33 LEU HA H 33 4.315 4.199 0.116 1
1 371 . 15 1 1 A 33 33 LEU C C 33 174.834 176.626 -1.792 1
1 372 . 15 1 1 A 33 33 LEU CA C 33 54.484 54.751 -0.267 1
1 373 . 15 1 1 A 33 33 LEU CB C 33 42.469 42.661 -0.192 1
1 377 . 15 1 1 A 33 33 LEU N N 33 122.072 122.443 -0.371 1
1 378 . 15 1 1 A 34 34 ARG H H 34 8.486 8.813 -0.327 1
1 379 . 15 1 1 A 34 34 ARG HA H 34 4.746 4.245 0.501 1
1 387 . 15 1 1 A 34 34 ARG C C 34 179.695 177.540 2.155 1
1 388 . 15 1 1 A 34 34 ARG CA C 34 55.460 56.084 -0.624 1
1 389 . 15 1 1 A 34 34 ARG CB C 34 29.981 30.446 -0.465 1
1 393 . 15 1 1 A 34 34 ARG N N 34 116.268 122.574 -6.306 1
1 395 . 15 1 1 A 35 35 PHE H H 35 8.453 8.379 0.074 1
1 396 . 15 1 1 A 35 35 PHE HA H 35 4.398 4.101 0.297 1
1 404 . 15 1 1 A 35 35 PHE C C 35 178.728 178.164 0.564 1
1 405 . 15 1 1 A 35 35 PHE CA C 35 62.994 61.149 1.845 1
1 406 . 15 1 1 A 35 35 PHE CB C 35 37.964 38.499 -0.535 1
1 412 . 15 1 1 A 35 35 PHE N N 35 123.273 122.110 1.163 1
1 413 . 15 1 1 A 36 36 GLU H H 36 9.540 8.561 0.979 1
1 414 . 15 1 1 A 36 36 GLU HA H 36 4.357 4.165 0.192 1
1 419 . 15 1 1 A 36 36 GLU C C 36 178.636 178.492 0.144 1
1 420 . 15 1 1 A 36 36 GLU CA C 36 59.160 60.071 -0.911 1
1 421 . 15 1 1 A 36 36 GLU CB C 36 29.610 29.243 0.367 1
1 423 . 15 1 1 A 36 36 GLU N N 36 117.074 118.823 -1.749 1
1 424 . 15 1 1 A 37 37 ASP H H 37 7.532 7.898 -0.366 1
1 425 . 15 1 1 A 37 37 ASP HA H 37 4.811 4.422 0.389 1
1 428 . 15 1 1 A 37 37 ASP C C 37 177.974 177.743 0.231 1
1 429 . 15 1 1 A 37 37 ASP CA C 37 56.496 56.395 0.101 1
1 430 . 15 1 1 A 37 37 ASP CB C 37 41.271 40.868 0.403 1
1 431 . 15 1 1 A 37 37 ASP N N 37 118.229 118.896 -0.667 1
1 432 . 15 1 1 A 38 38 ILE H H 38 7.728 7.484 0.244 1
1 433 . 15 1 1 A 38 38 ILE HA H 38 4.676 4.325 0.351 1
1 443 . 15 1 1 A 38 38 ILE C C 38 176.102 176.088 0.014 1
1 444 . 15 1 1 A 38 38 ILE CA C 38 61.973 60.677 1.296 1
1 445 . 15 1 1 A 38 38 ILE CB C 38 38.682 37.576 1.106 1
1 449 . 15 1 1 A 38 38 ILE N N 38 112.806 111.710 1.096 1
1 450 . 15 1 1 A 39 39 GLY H H 39 7.735 8.120 -0.385 1
1 451 . 15 1 1 A 39 39 GLY HA2 H 39 4.271 3.973 0.298 1
1 452 . 15 1 1 A 39 39 GLY HA3 H 39 3.898 3.983 -0.085 1
1 453 . 15 1 1 A 39 39 GLY C C 39 174.444 173.953 0.491 1
1 454 . 15 1 1 A 39 39 GLY CA C 39 46.438 46.204 0.234 1
1 455 . 15 1 1 A 39 39 GLY N N 39 107.120 110.873 -3.753 1
1 456 . 15 1 1 A 40 40 TYR H H 40 8.081 8.083 -0.002 1
1 457 . 15 1 1 A 40 40 TYR HA H 40 4.586 4.818 -0.232 1
1 464 . 15 1 1 A 40 40 TYR C C 40 174.461 175.353 -0.892 1
1 465 . 15 1 1 A 40 40 TYR CA C 40 58.185 57.275 0.910 1
1 466 . 15 1 1 A 40 40 TYR CB C 40 40.424 41.034 -0.610 1
1 471 . 15 1 1 A 40 40 TYR N N 40 121.688 118.288 3.400 1
1 472 . 15 1 1 A 41 41 ASP H H 41 8.040 8.855 -0.815 1
1 473 . 15 1 1 A 41 41 ASP HA H 41 4.727 4.840 -0.113 1
1 476 . 15 1 1 A 41 41 ASP C C 41 175.980 177.360 -1.380 1
1 477 . 15 1 1 A 41 41 ASP CA C 41 52.812 54.187 -1.375 1
1 478 . 15 1 1 A 41 41 ASP CB C 41 42.068 41.650 0.418 1
1 479 . 15 1 1 A 41 41 ASP N N 41 124.041 124.563 -0.522 1
1 480 . 15 1 1 A 42 42 SER H H 42 8.561 9.059 -0.498 1
1 481 . 15 1 1 A 42 42 SER HA H 42 4.198 4.105 0.093 1
1 484 . 15 1 1 A 42 42 SER C C 42 176.472 176.784 -0.312 1
1 485 . 15 1 1 A 42 42 SER CA C 42 62.309 62.269 0.040 1
1 486 . 15 1 1 A 42 42 SER CB C 42 62.943 62.546 0.397 1
1 487 . 15 1 1 A 42 42 SER N N 42 114.493 118.487 -3.994 1
1 488 . 15 1 1 A 43 43 LEU H H 43 7.804 8.091 -0.287 1
1 489 . 15 1 1 A 43 43 LEU HA H 43 4.270 4.085 0.185 1
1 499 . 15 1 1 A 43 43 LEU C C 43 179.551 178.384 1.167 1
1 500 . 15 1 1 A 43 43 LEU CA C 43 58.369 57.952 0.417 1
1 501 . 15 1 1 A 43 43 LEU CB C 43 41.057 41.462 -0.405 1
1 505 . 15 1 1 A 43 43 LEU N N 43 122.459 124.478 -2.019 1
1 506 . 15 1 1 A 44 44 ALA H H 44 8.064 8.171 -0.107 1
1 507 . 15 1 1 A 44 44 ALA HA H 44 4.334 3.944 0.390 1
1 511 . 15 1 1 A 44 44 ALA C C 44 181.733 180.133 1.600 1
1 512 . 15 1 1 A 44 44 ALA CA C 44 54.987 55.301 -0.314 1
1 513 . 15 1 1 A 44 44 ALA CB C 44 18.500 18.307 0.193 1
1 514 . 15 1 1 A 44 44 ALA N N 44 123.223 120.913 2.310 1
1 515 . 15 1 1 A 45 45 LEU H H 45 8.422 8.486 -0.064 1
1 516 . 15 1 1 A 45 45 LEU HA H 45 3.907 4.138 -0.231 1
1 526 . 15 1 1 A 45 45 LEU C C 45 178.613 178.831 -0.218 1
1 527 . 15 1 1 A 45 45 LEU CA C 45 58.419 57.730 0.689 1
1 528 . 15 1 1 A 45 45 LEU CB C 45 41.643 41.516 0.127 1
1 532 . 15 1 1 A 45 45 LEU N N 45 121.714 120.041 1.673 1
1 533 . 15 1 1 A 46 46 MET H H 46 8.344 8.321 0.023 1
1 534 . 15 1 1 A 46 46 MET HA H 46 4.259 4.067 0.192 1
1 539 . 15 1 1 A 46 46 MET C C 46 179.856 178.395 1.461 1
1 540 . 15 1 1 A 46 46 MET CA C 46 58.769 58.630 0.139 1
1 541 . 15 1 1 A 46 46 MET CB C 46 32.022 32.050 -0.028 1
1 543 . 15 1 1 A 46 46 MET N N 46 119.039 116.997 2.042 1
1 544 . 15 1 1 A 47 47 GLU H H 47 8.414 8.030 0.384 1
1 545 . 15 1 1 A 47 47 GLU HA H 47 4.257 4.122 0.135 1
1 550 . 15 1 1 A 47 47 GLU C C 47 179.208 179.458 -0.250 1
1 551 . 15 1 1 A 47 47 GLU CA C 47 59.504 59.060 0.444 1
1 552 . 15 1 1 A 47 47 GLU CB C 47 29.229 29.284 -0.055 1
1 554 . 15 1 1 A 47 47 GLU N N 47 121.231 121.017 0.214 1
1 555 . 15 1 1 A 48 48 THR H H 48 8.329 7.638 0.691 1
1 556 . 15 1 1 A 48 48 THR HA H 48 3.962 3.888 0.074 1
1 561 . 15 1 1 A 48 48 THR C C 48 176.334 176.618 -0.284 1
1 562 . 15 1 1 A 48 48 THR CA C 48 67.882 66.603 1.279 1
1 563 . 15 1 1 A 48 48 THR CB C 48 68.478 68.473 0.005 1
1 565 . 15 1 1 A 48 48 THR N N 48 118.600 116.883 1.717 1
1 566 . 15 1 1 A 49 49 ALA H H 49 8.756 8.187 0.569 1
1 567 . 15 1 1 A 49 49 ALA HA H 49 3.963 3.957 0.006 1
1 571 . 15 1 1 A 49 49 ALA C C 49 178.615 179.363 -0.748 1
1 572 . 15 1 1 A 49 49 ALA CA C 49 56.227 55.424 0.803 1
1 573 . 15 1 1 A 49 49 ALA CB C 49 17.499 17.913 -0.414 1
1 574 . 15 1 1 A 49 49 ALA N N 49 123.599 122.806 0.793 1
1 575 . 15 1 1 A 50 50 ALA H H 50 8.191 8.563 -0.372 1
1 576 . 15 1 1 A 50 50 ALA HA H 50 4.281 4.044 0.237 1
1 580 . 15 1 1 A 50 50 ALA C C 50 181.272 180.288 0.984 1
1 581 . 15 1 1 A 50 50 ALA CA C 50 55.488 55.244 0.244 1
1 582 . 15 1 1 A 50 50 ALA CB C 50 18.107 18.388 -0.281 1
1 583 . 15 1 1 A 50 50 ALA N N 50 119.558 120.230 -0.672 1
1 584 . 15 1 1 A 51 51 ARG H H 51 8.146 7.993 0.153 1
1 585 . 15 1 1 A 51 51 ARG HA H 51 4.257 4.015 0.242 1
1 593 . 15 1 1 A 51 51 ARG C C 51 179.815 178.603 1.212 1
1 594 . 15 1 1 A 51 51 ARG CA C 51 59.591 59.117 0.474 1
1 595 . 15 1 1 A 51 51 ARG CB C 51 30.400 30.009 0.391 1
1 599 . 15 1 1 A 51 51 ARG N N 51 119.722 118.781 0.941 1
1 601 . 15 1 1 A 52 52 LEU H H 52 8.432 8.193 0.239 1
1 602 . 15 1 1 A 52 52 LEU HA H 52 4.330 4.085 0.245 1
1 612 . 15 1 1 A 52 52 LEU C C 52 179.152 179.359 -0.207 1
1 613 . 15 1 1 A 52 52 LEU CA C 52 58.139 58.181 -0.042 1
1 614 . 15 1 1 A 52 52 LEU CB C 52 42.615 41.230 1.385 1
1 618 . 15 1 1 A 52 52 LEU N N 52 120.470 119.785 0.685 1
1 619 . 15 1 1 A 53 53 GLU H H 53 8.989 8.825 0.164 1
1 620 . 15 1 1 A 53 53 GLU HA H 53 4.105 4.094 0.011 1
1 625 . 15 1 1 A 53 53 GLU C C 53 179.370 179.046 0.324 1
1 626 . 15 1 1 A 53 53 GLU CA C 53 60.145 59.682 0.463 1
1 627 . 15 1 1 A 53 53 GLU CB C 53 29.184 29.321 -0.137 1
1 629 . 15 1 1 A 53 53 GLU N N 53 119.668 118.908 0.760 1
1 630 . 15 1 1 A 54 54 SER H H 54 8.028 8.308 -0.280 1
1 631 . 15 1 1 A 54 54 SER HA H 54 4.392 4.120 0.272 1
1 634 . 15 1 1 A 54 54 SER C C 54 176.891 175.976 0.915 1
1 635 . 15 1 1 A 54 54 SER CA C 54 61.162 61.766 -0.604 1
1 636 . 15 1 1 A 54 54 SER CB C 54 63.222 62.808 0.414 1
1 637 . 15 1 1 A 54 54 SER N N 54 112.842 117.511 -4.669 1
1 638 . 15 1 1 A 55 55 ARG H H 55 8.070 8.197 -0.127 1
1 639 . 15 1 1 A 55 55 ARG HA H 55 4.111 3.902 0.209 1
1 647 . 15 1 1 A 55 55 ARG C C 55 177.830 177.853 -0.023 1
1 648 . 15 1 1 A 55 55 ARG CA C 55 58.824 58.937 -0.113 1
1 649 . 15 1 1 A 55 55 ARG CB C 55 30.829 29.869 0.960 1
1 653 . 15 1 1 A 55 55 ARG N N 55 120.550 121.652 -1.102 1
1 655 . 15 1 1 A 56 56 TYR H H 56 8.171 7.852 0.319 1
1 656 . 15 1 1 A 56 56 TYR HA H 56 4.685 4.633 0.052 1
1 663 . 15 1 1 A 56 56 TYR C C 56 176.027 175.898 0.129 1
1 664 . 15 1 1 A 56 56 TYR CA C 56 59.110 58.016 1.094 1
1 665 . 15 1 1 A 56 56 TYR CB C 56 39.339 39.070 0.269 1
1 670 . 15 1 1 A 56 56 TYR N N 56 113.561 115.399 -1.838 1
1 671 . 15 1 1 A 57 57 GLY H H 57 7.998 8.487 -0.489 1
1 672 . 15 1 1 A 57 57 GLY HA2 H 57 4.105 3.960 0.145 1
1 673 . 15 1 1 A 57 57 GLY HA3 H 57 4.105 3.971 0.134 1
1 674 . 15 1 1 A 57 57 GLY C C 57 174.600 174.333 0.267 1
1 675 . 15 1 1 A 57 57 GLY CA C 57 47.349 45.917 1.432 1
1 676 . 15 1 1 A 57 57 GLY N N 57 109.470 108.916 0.554 1
1 677 . 15 1 1 A 58 58 VAL H H 58 7.515 7.818 -0.303 1
1 678 . 15 1 1 A 58 58 VAL HA H 58 4.694 4.458 0.236 1
1 686 . 15 1 1 A 58 58 VAL C C 58 174.016 174.859 -0.843 1
1 687 . 15 1 1 A 58 58 VAL CA C 58 59.282 60.780 -1.498 1
1 688 . 15 1 1 A 58 58 VAL CB C 58 34.791 33.356 1.435 1
1 691 . 15 1 1 A 58 58 VAL N N 58 112.406 121.557 -9.151 1
1 692 . 15 1 1 A 59 59 SER H H 59 8.489 8.810 -0.321 1
1 693 . 15 1 1 A 59 59 SER HA H 59 4.847 5.162 -0.315 1
1 696 . 15 1 1 A 59 59 SER C C 59 173.643 174.077 -0.434 1
1 697 . 15 1 1 A 59 59 SER CA C 59 57.213 57.894 -0.681 1
1 698 . 15 1 1 A 59 59 SER CB C 59 64.285 63.864 0.421 1
1 699 . 15 1 1 A 59 59 SER N N 59 116.724 124.427 -7.703 1
1 700 . 15 1 1 A 60 60 ILE H H 60 8.224 9.363 -1.139 1
1 701 . 15 1 1 A 60 60 ILE HA H 60 4.676 4.608 0.068 1
1 711 . 15 1 1 A 60 60 ILE CA C 60 57.702 57.626 0.076 1
1 712 . 15 1 1 A 60 60 ILE CB C 60 40.520 38.761 1.759 1
1 716 . 15 1 1 A 60 60 ILE N N 60 125.582 127.546 -1.964 1
1 717 . 15 1 1 A 61 61 PRO HA H 61 4.543 4.631 -0.088 1
1 724 . 15 1 1 A 61 61 PRO C C 61 177.547 177.160 0.387 1
1 725 . 15 1 1 A 61 61 PRO CA C 61 63.523 63.009 0.514 1
1 726 . 15 1 1 A 61 61 PRO CB C 61 32.704 31.591 1.113 1
1 729 . 15 1 1 A 62 62 ASP H H 62 8.857 8.744 0.113 1
1 730 . 15 1 1 A 62 62 ASP HA H 62 4.447 4.273 0.174 1
1 733 . 15 1 1 A 62 62 ASP C C 62 177.504 178.179 -0.675 1
1 734 . 15 1 1 A 62 62 ASP CA C 62 57.105 56.590 0.515 1
1 735 . 15 1 1 A 62 62 ASP CB C 62 40.668 39.751 0.917 1
1 736 . 15 1 1 A 62 62 ASP N N 62 123.624 125.342 -1.718 1
1 737 . 15 1 1 A 63 63 ASP H H 63 8.691 8.018 0.673 1
1 738 . 15 1 1 A 63 63 ASP HA H 63 4.508 4.453 0.055 1
1 741 . 15 1 1 A 63 63 ASP C C 63 177.468 178.710 -1.242 1
1 742 . 15 1 1 A 63 63 ASP CA C 63 55.267 57.212 -1.945 1
1 743 . 15 1 1 A 63 63 ASP CB C 63 39.691 41.170 -1.479 1
1 744 . 15 1 1 A 63 63 ASP N N 63 116.744 120.645 -3.901 1
1 745 . 15 1 1 A 64 64 VAL H H 64 7.388 7.834 -0.446 1
1 746 . 15 1 1 A 64 64 VAL HA H 64 3.789 3.597 0.192 1
1 754 . 15 1 1 A 64 64 VAL C C 64 177.793 178.186 -0.393 1
1 755 . 15 1 1 A 64 64 VAL CA C 64 65.251 66.408 -1.157 1
1 756 . 15 1 1 A 64 64 VAL CB C 64 32.347 31.306 1.041 1
1 759 . 15 1 1 A 64 64 VAL N N 64 119.303 120.267 -0.964 1
1 760 . 15 1 1 A 65 65 ALA H H 65 8.212 8.015 0.197 1
1 761 . 15 1 1 A 65 65 ALA HA H 65 3.967 4.085 -0.118 1
1 765 . 15 1 1 A 65 65 ALA C C 65 178.005 178.625 -0.620 1
1 766 . 15 1 1 A 65 65 ALA CA C 65 55.196 55.030 0.166 1
1 767 . 15 1 1 A 65 65 ALA CB C 65 18.373 18.493 -0.120 1
1 768 . 15 1 1 A 65 65 ALA N N 65 122.060 121.386 0.674 1
1 769 . 15 1 1 A 66 66 GLY H H 66 7.995 8.120 -0.125 1
1 770 . 15 1 1 A 66 66 GLY HA2 H 66 4.133 4.002 0.131 1
1 771 . 15 1 1 A 66 66 GLY HA3 H 66 3.912 4.005 -0.093 1
1 772 . 15 1 1 A 66 66 GLY C C 66 174.615 174.798 -0.183 1
1 773 . 15 1 1 A 66 66 GLY CA C 66 45.925 45.454 0.471 1
1 774 . 15 1 1 A 66 66 GLY N N 66 99.445 105.166 -5.721 1
1 775 . 15 1 1 A 67 67 ARG H H 67 7.478 8.009 -0.531 1
1 776 . 15 1 1 A 67 67 ARG HA H 67 4.659 4.394 0.265 1
1 784 . 15 1 1 A 67 67 ARG C C 67 176.470 175.885 0.585 1
1 785 . 15 1 1 A 67 67 ARG CA C 67 55.647 57.351 -1.704 1
1 786 . 15 1 1 A 67 67 ARG CB C 67 31.843 30.489 1.354 1
1 790 . 15 1 1 A 67 67 ARG N N 67 116.761 120.065 -3.304 1
1 792 . 15 1 1 A 68 68 VAL H H 68 7.244 7.037 0.207 1
1 793 . 15 1 1 A 68 68 VAL HA H 68 4.437 4.129 0.308 1
1 801 . 15 1 1 A 68 68 VAL C C 68 175.250 175.517 -0.267 1
1 802 . 15 1 1 A 68 68 VAL CA C 68 61.919 61.942 -0.023 1
1 803 . 15 1 1 A 68 68 VAL CB C 68 33.329 32.047 1.282 1
1 806 . 15 1 1 A 68 68 VAL N N 68 114.725 117.099 -2.374 1
1 807 . 15 1 1 A 69 69 ASP H H 69 9.180 9.011 0.169 1
1 808 . 15 1 1 A 69 69 ASP HA H 69 5.272 4.789 0.483 1
1 811 . 15 1 1 A 69 69 ASP C C 69 177.035 176.189 0.846 1
1 812 . 15 1 1 A 69 69 ASP CA C 69 55.862 56.641 -0.779 1
1 813 . 15 1 1 A 69 69 ASP CB C 69 44.421 42.694 1.727 1
1 814 . 15 1 1 A 69 69 ASP N N 69 120.929 126.019 -5.090 1
1 815 . 15 1 1 A 70 70 THR H H 70 7.490 7.597 -0.107 1
1 816 . 15 1 1 A 70 70 THR HA H 70 4.969 4.190 0.779 1
1 821 . 15 1 1 A 70 70 THR CA C 70 57.776 58.167 -0.391 1
1 822 . 15 1 1 A 70 70 THR CB C 70 71.416 70.204 1.212 1
1 824 . 15 1 1 A 70 70 THR N N 70 107.879 111.218 -3.339 1
1 825 . 15 1 1 A 71 71 PRO HA H 71 4.247 4.442 -0.195 1
1 832 . 15 1 1 A 71 71 PRO C C 71 177.413 177.579 -0.166 1
1 833 . 15 1 1 A 71 71 PRO CA C 71 65.812 65.077 0.735 1
1 834 . 15 1 1 A 71 71 PRO CB C 71 32.647 31.495 1.152 1
1 837 . 15 1 1 A 72 72 ARG H H 72 9.000 7.597 1.403 1
1 838 . 15 1 1 A 72 72 ARG HA H 72 3.619 3.990 -0.371 1
1 850 . 15 1 1 A 72 72 ARG C C 72 177.530 178.886 -1.356 1
1 851 . 15 1 1 A 72 72 ARG CA C 72 60.211 59.295 0.916 1
1 852 . 15 1 1 A 72 72 ARG CB C 72 30.433 29.960 0.473 1
1 856 . 15 1 1 A 72 72 ARG N N 72 117.747 118.405 -0.658 1
1 860 . 15 1 1 A 73 73 GLU H H 73 7.840 7.836 0.004 1
1 861 . 15 1 1 A 73 73 GLU HA H 73 4.245 4.028 0.217 1
1 866 . 15 1 1 A 73 73 GLU C C 73 180.139 179.195 0.944 1
1 867 . 15 1 1 A 73 73 GLU CA C 73 59.071 58.774 0.297 1
1 868 . 15 1 1 A 73 73 GLU CB C 73 30.230 29.563 0.667 1
1 870 . 15 1 1 A 73 73 GLU N N 73 116.639 118.607 -1.968 1
1 871 . 15 1 1 A 74 74 LEU H H 74 7.693 7.684 0.009 1
1 872 . 15 1 1 A 74 74 LEU HA H 74 4.324 4.060 0.264 1
1 882 . 15 1 1 A 74 74 LEU C C 74 177.000 178.188 -1.188 1
1 883 . 15 1 1 A 74 74 LEU CA C 74 58.123 58.102 0.021 1
1 884 . 15 1 1 A 74 74 LEU CB C 74 42.242 41.821 0.421 1
1 888 . 15 1 1 A 74 74 LEU N N 74 120.218 121.790 -1.572 1
1 889 . 15 1 1 A 75 75 LEU H H 75 8.731 8.550 0.181 1
1 890 . 15 1 1 A 75 75 LEU HA H 75 3.904 3.970 -0.066 1
1 900 . 15 1 1 A 75 75 LEU C C 75 178.122 178.029 0.093 1
1 901 . 15 1 1 A 75 75 LEU CA C 75 58.462 58.346 0.116 1
1 902 . 15 1 1 A 75 75 LEU CB C 75 42.400 41.300 1.100 1
1 906 . 15 1 1 A 75 75 LEU N N 75 121.211 119.637 1.574 1
1 907 . 15 1 1 A 76 76 ASP H H 76 8.703 8.105 0.598 1
1 908 . 15 1 1 A 76 76 ASP HA H 76 4.497 4.276 0.221 1
1 911 . 15 1 1 A 76 76 ASP C C 76 180.101 178.250 1.851 1
1 912 . 15 1 1 A 76 76 ASP CA C 76 57.325 57.746 -0.421 1
1 913 . 15 1 1 A 76 76 ASP CB C 76 39.936 41.890 -1.954 1
1 914 . 15 1 1 A 76 76 ASP N N 76 117.466 118.727 -1.261 1
1 915 . 15 1 1 A 77 77 LEU H H 77 8.019 7.634 0.385 1
1 916 . 15 1 1 A 77 77 LEU HA H 77 4.282 4.012 0.270 1
1 926 . 15 1 1 A 77 77 LEU C C 77 179.840 178.451 1.389 1
1 927 . 15 1 1 A 77 77 LEU CA C 77 58.417 58.491 -0.074 1
1 928 . 15 1 1 A 77 77 LEU CB C 77 42.856 41.864 0.992 1
1 932 . 15 1 1 A 77 77 LEU N N 77 122.891 120.207 2.684 1
1 933 . 15 1 1 A 78 78 ILE H H 78 8.281 8.000 0.281 1
1 934 . 15 1 1 A 78 78 ILE HA H 78 3.756 3.465 0.291 1
1 944 . 15 1 1 A 78 78 ILE C C 78 177.655 178.000 -0.345 1
1 945 . 15 1 1 A 78 78 ILE CA C 78 64.638 65.345 -0.707 1
1 946 . 15 1 1 A 78 78 ILE CB C 78 37.325 37.369 -0.044 1
1 950 . 15 1 1 A 78 78 ILE N N 78 119.758 119.503 0.255 1
1 951 . 15 1 1 A 79 79 ASN H H 79 8.880 8.797 0.083 1
1 952 . 15 1 1 A 79 79 ASN HA H 79 4.918 4.341 0.577 1
1 957 . 15 1 1 A 79 79 ASN C C 79 179.481 178.289 1.192 1
1 958 . 15 1 1 A 79 79 ASN CA C 79 55.446 56.423 -0.977 1
1 959 . 15 1 1 A 79 79 ASN CB C 79 37.299 38.831 -1.532 1
1 960 . 15 1 1 A 79 79 ASN N N 79 117.848 119.041 -1.193 1
1 962 . 15 1 1 A 80 80 GLY H H 80 8.441 8.398 0.043 1
1 963 . 15 1 1 A 80 80 GLY HA2 H 80 4.036 3.810 0.226 1
1 964 . 15 1 1 A 80 80 GLY HA3 H 80 4.036 3.813 0.223 1
1 965 . 15 1 1 A 80 80 GLY C C 80 175.746 176.219 -0.473 1
1 966 . 15 1 1 A 80 80 GLY CA C 80 47.065 47.183 -0.118 1
1 967 . 15 1 1 A 80 80 GLY N N 80 110.120 108.346 1.774 1
1 968 . 15 1 1 A 81 81 ALA H H 81 7.604 7.638 -0.034 1
1 969 . 15 1 1 A 81 81 ALA HA H 81 4.467 3.995 0.472 1
1 973 . 15 1 1 A 81 81 ALA C C 81 180.565 179.375 1.190 1
1 974 . 15 1 1 A 81 81 ALA CA C 81 54.298 54.517 -0.219 1
1 975 . 15 1 1 A 81 81 ALA CB C 81 18.530 18.484 0.046 1
1 976 . 15 1 1 A 81 81 ALA N N 81 124.070 125.417 -1.347 1
1 977 . 15 1 1 A 82 82 LEU H H 82 8.299 8.561 -0.262 1
1 978 . 15 1 1 A 82 82 LEU HA H 82 4.219 4.110 0.109 1
1 988 . 15 1 1 A 82 82 LEU C C 82 178.837 178.441 0.396 1
1 989 . 15 1 1 A 82 82 LEU CA C 82 56.967 57.246 -0.279 1
1 990 . 15 1 1 A 82 82 LEU CB C 82 42.610 41.628 0.982 1
1 994 . 15 1 1 A 82 82 LEU N N 82 119.823 120.402 -0.579 1
1 995 . 15 1 1 A 83 83 ALA H H 83 7.964 8.147 -0.183 1
1 996 . 15 1 1 A 83 83 ALA HA H 83 4.298 4.019 0.279 1
1 1000 . 15 1 1 A 83 83 ALA C C 83 178.739 179.273 -0.534 1
1 1001 . 15 1 1 A 83 83 ALA CA C 83 53.965 55.302 -1.337 1
1 1002 . 15 1 1 A 83 83 ALA CB C 83 18.917 18.344 0.573 1
1 1003 . 15 1 1 A 83 83 ALA N N 83 121.306 120.920 0.386 1
1 1004 . 15 1 1 A 84 84 GLU H H 84 7.746 7.641 0.105 1
1 1005 . 15 1 1 A 84 84 GLU HA H 84 4.396 4.402 -0.006 1
1 1010 . 15 1 1 A 84 84 GLU C C 84 176.347 176.226 0.121 1
1 1011 . 15 1 1 A 84 84 GLU CA C 84 56.739 56.888 -0.149 1
1 1012 . 15 1 1 A 84 84 GLU CB C 84 30.126 30.139 -0.013 1
1 1014 . 15 1 1 A 84 84 GLU N N 84 117.080 114.817 2.263 1
1 1015 . 15 1 1 A 85 85 ALA H H 85 7.832 7.308 0.524 1
1 1016 . 15 1 1 A 85 85 ALA HA H 85 4.485 4.531 -0.046 1
1 1020 . 15 1 1 A 85 85 ALA C C 85 176.564 176.391 0.173 1
1 1021 . 15 1 1 A 85 85 ALA CA C 85 52.485 51.450 1.035 1
1 1022 . 15 1 1 A 85 85 ALA CB C 85 19.529 19.984 -0.455 1
1 1023 . 15 1 1 A 85 85 ALA N N 85 124.010 123.738 0.272 1
1 1 . 16 1 1 A 2 2 ALA HA H 2 4.297 4.488 -0.191 1
1 5 . 16 1 1 A 2 2 ALA C C 2 173.708 176.151 -2.443 1
1 6 . 16 1 1 A 2 2 ALA CA C 2 51.945 51.493 0.452 1
1 7 . 16 1 1 A 2 2 ALA CB C 2 19.979 21.955 -1.976 1
1 8 . 16 1 1 A 3 3 THR H H 3 8.680 8.442 0.238 1
1 9 . 16 1 1 A 3 3 THR HA H 3 4.411 4.406 0.005 1
1 14 . 16 1 1 A 3 3 THR C C 3 172.914 173.929 -1.015 1
1 15 . 16 1 1 A 3 3 THR CA C 3 62.665 61.561 1.104 1
1 16 . 16 1 1 A 3 3 THR CB C 3 69.902 69.098 0.804 1
1 18 . 16 1 1 A 3 3 THR N N 3 117.458 112.183 5.275 1
1 19 . 16 1 1 A 4 4 LEU H H 4 8.145 8.792 -0.647 1
1 20 . 16 1 1 A 4 4 LEU HA H 4 4.384 5.016 -0.632 1
1 30 . 16 1 1 A 4 4 LEU C C 4 177.176 174.847 2.329 1
1 31 . 16 1 1 A 4 4 LEU CA C 4 54.765 53.389 1.376 1
1 32 . 16 1 1 A 4 4 LEU CB C 4 42.790 46.278 -3.488 1
1 36 . 16 1 1 A 4 4 LEU N N 4 124.380 127.666 -3.286 1
1 37 . 16 1 1 A 5 5 LEU H H 5 9.419 8.492 0.927 1
1 38 . 16 1 1 A 5 5 LEU HA H 5 4.536 4.621 -0.085 1
1 48 . 16 1 1 A 5 5 LEU C C 5 177.849 176.722 1.127 1
1 49 . 16 1 1 A 5 5 LEU CA C 5 55.488 54.246 1.242 1
1 50 . 16 1 1 A 5 5 LEU CB C 5 42.700 41.959 0.741 1
1 54 . 16 1 1 A 5 5 LEU N N 5 124.415 123.240 1.175 1
1 55 . 16 1 1 A 6 6 THR H H 6 8.995 8.361 0.634 1
1 56 . 16 1 1 A 6 6 THR HA H 6 4.783 4.787 -0.004 1
1 61 . 16 1 1 A 6 6 THR C C 6 175.943 176.286 -0.343 1
1 62 . 16 1 1 A 6 6 THR CA C 6 59.961 59.969 -0.008 1
1 63 . 16 1 1 A 6 6 THR CB C 6 72.429 70.823 1.606 1
1 65 . 16 1 1 A 6 6 THR N N 6 114.757 116.053 -1.296 1
1 66 . 16 1 1 A 7 7 THR H H 7 8.851 8.894 -0.043 1
1 67 . 16 1 1 A 7 7 THR HA H 7 3.881 3.888 -0.007 1
1 72 . 16 1 1 A 7 7 THR C C 7 176.566 175.920 0.646 1
1 73 . 16 1 1 A 7 7 THR CA C 7 67.277 67.011 0.266 1
1 74 . 16 1 1 A 7 7 THR CB C 7 68.542 68.630 -0.088 1
1 76 . 16 1 1 A 7 7 THR N N 7 115.540 116.804 -1.264 1
1 77 . 16 1 1 A 8 8 ASP H H 8 8.279 8.333 -0.054 1
1 78 . 16 1 1 A 8 8 ASP HA H 8 4.638 4.346 0.292 1
1 81 . 16 1 1 A 8 8 ASP C C 8 178.553 178.125 0.428 1
1 82 . 16 1 1 A 8 8 ASP CA C 8 57.738 58.021 -0.283 1
1 83 . 16 1 1 A 8 8 ASP CB C 8 41.219 41.659 -0.440 1
1 84 . 16 1 1 A 8 8 ASP N N 8 119.967 121.539 -1.572 1
1 85 . 16 1 1 A 9 9 ASP H H 9 7.905 7.865 0.040 1
1 86 . 16 1 1 A 9 9 ASP HA H 9 4.573 4.541 0.032 1
1 89 . 16 1 1 A 9 9 ASP C C 9 179.411 178.875 0.536 1
1 90 . 16 1 1 A 9 9 ASP CA C 9 57.667 57.512 0.155 1
1 91 . 16 1 1 A 9 9 ASP CB C 9 41.453 40.450 1.003 1
1 92 . 16 1 1 A 9 9 ASP N N 9 120.222 119.294 0.928 1
1 93 . 16 1 1 A 10 10 LEU H H 10 8.097 8.083 0.014 1
1 94 . 16 1 1 A 10 10 LEU HA H 10 4.225 4.145 0.080 1
1 104 . 16 1 1 A 10 10 LEU C C 10 177.475 178.417 -0.942 1
1 105 . 16 1 1 A 10 10 LEU CA C 10 57.959 58.046 -0.087 1
1 106 . 16 1 1 A 10 10 LEU CB C 10 42.013 41.613 0.400 1
1 110 . 16 1 1 A 10 10 LEU N N 10 121.315 120.725 0.590 1
1 111 . 16 1 1 A 11 11 ARG H H 11 8.841 8.385 0.456 1
1 112 . 16 1 1 A 11 11 ARG HA H 11 3.524 3.842 -0.318 1
1 120 . 16 1 1 A 11 11 ARG C C 11 177.728 178.692 -0.964 1
1 121 . 16 1 1 A 11 11 ARG CA C 11 60.662 59.851 0.811 1
1 122 . 16 1 1 A 11 11 ARG CB C 11 30.618 30.121 0.497 1
1 126 . 16 1 1 A 11 11 ARG N N 11 119.774 119.398 0.376 1
1 128 . 16 1 1 A 12 12 ARG H H 12 7.988 7.885 0.103 1
1 129 . 16 1 1 A 12 12 ARG HA H 12 4.041 4.027 0.014 1
1 137 . 16 1 1 A 12 12 ARG C C 12 178.452 178.020 0.432 1
1 138 . 16 1 1 A 12 12 ARG CA C 12 59.748 59.138 0.610 1
1 139 . 16 1 1 A 12 12 ARG CB C 12 30.414 30.110 0.304 1
1 143 . 16 1 1 A 12 12 ARG N N 12 115.529 119.292 -3.763 1
1 145 . 16 1 1 A 13 13 ALA H H 13 7.722 8.067 -0.345 1
1 146 . 16 1 1 A 13 13 ALA HA H 13 4.412 4.183 0.229 1
1 150 . 16 1 1 A 13 13 ALA C C 13 180.069 180.048 0.021 1
1 151 . 16 1 1 A 13 13 ALA CA C 13 54.990 55.058 -0.068 1
1 152 . 16 1 1 A 13 13 ALA CB C 13 18.654 18.235 0.419 1
1 153 . 16 1 1 A 13 13 ALA N N 13 119.900 122.557 -2.657 1
1 154 . 16 1 1 A 14 14 LEU H H 14 8.419 7.806 0.613 1
1 155 . 16 1 1 A 14 14 LEU HA H 14 4.418 3.932 0.486 1
1 165 . 16 1 1 A 14 14 LEU C C 14 180.574 179.153 1.421 1
1 166 . 16 1 1 A 14 14 LEU CA C 14 57.488 58.031 -0.543 1
1 167 . 16 1 1 A 14 14 LEU CB C 14 42.008 42.129 -0.121 1
1 171 . 16 1 1 A 14 14 LEU N N 14 119.013 117.959 1.054 1
1 172 . 16 1 1 A 15 15 VAL H H 15 8.501 7.868 0.633 1
1 173 . 16 1 1 A 15 15 VAL HA H 15 3.929 3.550 0.379 1
1 181 . 16 1 1 A 15 15 VAL C C 15 178.956 177.616 1.340 1
1 182 . 16 1 1 A 15 15 VAL CA C 15 66.056 66.912 -0.856 1
1 183 . 16 1 1 A 15 15 VAL CB C 15 32.053 31.494 0.559 1
1 186 . 16 1 1 A 15 15 VAL N N 15 120.534 118.582 1.952 1
1 187 . 16 1 1 A 16 16 GLU H H 16 8.238 8.716 -0.478 1
1 188 . 16 1 1 A 16 16 GLU HA H 16 4.216 4.062 0.154 1
1 193 . 16 1 1 A 16 16 GLU C C 16 178.530 177.916 0.614 1
1 194 . 16 1 1 A 16 16 GLU CA C 16 58.963 59.134 -0.171 1
1 195 . 16 1 1 A 16 16 GLU CB C 16 29.866 29.387 0.479 1
1 197 . 16 1 1 A 16 16 GLU N N 16 119.771 119.652 0.119 1
1 198 . 16 1 1 A 17 17 SER H H 17 7.808 7.668 0.140 1
1 199 . 16 1 1 A 17 17 SER HA H 17 4.581 4.421 0.160 1
1 202 . 16 1 1 A 17 17 SER C C 17 174.239 175.716 -1.477 1
1 203 . 16 1 1 A 17 17 SER CA C 17 59.839 61.292 -1.453 1
1 204 . 16 1 1 A 17 17 SER CB C 17 64.127 63.512 0.615 1
1 205 . 16 1 1 A 17 17 SER N N 17 113.608 117.755 -4.147 1
1 206 . 16 1 1 A 18 18 ALA H H 18 7.809 7.633 0.176 1
1 207 . 16 1 1 A 18 18 ALA HA H 18 4.358 4.258 0.100 1
1 211 . 16 1 1 A 18 18 ALA C C 18 178.239 177.853 0.386 1
1 212 . 16 1 1 A 18 18 ALA CA C 18 52.975 52.527 0.448 1
1 213 . 16 1 1 A 18 18 ALA CB C 18 19.808 19.415 0.393 1
1 214 . 16 1 1 A 18 18 ALA N N 18 123.180 121.174 2.006 1
1 215 . 16 1 1 A 19 19 GLY H H 19 8.241 8.684 -0.443 1
1 216 . 16 1 1 A 19 19 GLY HA2 H 19 4.060 4.031 0.029 1
1 217 . 16 1 1 A 19 19 GLY HA3 H 19 4.060 4.037 0.023 1
1 218 . 16 1 1 A 19 19 GLY C C 19 174.390 173.276 1.114 1
1 219 . 16 1 1 A 19 19 GLY CA C 19 45.570 45.555 0.015 1
1 220 . 16 1 1 A 19 19 GLY N N 19 107.414 106.982 0.432 1
1 221 . 16 1 1 A 20 20 GLU H H 20 8.501 8.066 0.435 1
1 222 . 16 1 1 A 20 20 GLU HA H 20 4.481 4.876 -0.395 1
1 227 . 16 1 1 A 20 20 GLU C C 20 176.860 174.075 2.785 1
1 228 . 16 1 1 A 20 20 GLU CA C 20 56.810 55.851 0.959 1
1 229 . 16 1 1 A 20 20 GLU CB C 20 30.060 33.535 -3.475 1
1 231 . 16 1 1 A 20 20 GLU N N 20 120.517 119.609 0.908 1
1 232 . 16 1 1 A 21 21 THR H H 21 8.251 8.556 -0.305 1
1 233 . 16 1 1 A 21 21 THR HA H 21 4.526 4.729 -0.203 1
1 238 . 16 1 1 A 21 21 THR C C 21 174.520 173.450 1.070 1
1 239 . 16 1 1 A 21 21 THR CA C 21 61.836 59.702 2.134 1
1 240 . 16 1 1 A 21 21 THR CB C 21 70.007 70.711 -0.704 1
1 242 . 16 1 1 A 21 21 THR N N 21 113.989 117.812 -3.823 1
1 243 . 16 1 1 A 22 22 ASP H H 22 8.497 9.013 -0.516 1
1 244 . 16 1 1 A 22 22 ASP HA H 22 4.737 4.553 0.184 1
1 247 . 16 1 1 A 22 22 ASP C C 22 176.877 176.430 0.447 1
1 248 . 16 1 1 A 22 22 ASP CA C 22 54.739 55.470 -0.731 1
1 249 . 16 1 1 A 22 22 ASP CB C 22 41.047 42.309 -1.262 1
1 250 . 16 1 1 A 22 22 ASP N N 22 122.136 123.308 -1.172 1
1 251 . 16 1 1 A 23 23 GLY H H 23 8.499 8.050 0.449 1
1 252 . 16 1 1 A 23 23 GLY HA2 H 23 4.087 3.889 0.198 1
1 253 . 16 1 1 A 23 23 GLY HA3 H 23 4.087 3.889 0.198 1
1 254 . 16 1 1 A 23 23 GLY C C 23 174.775 174.548 0.227 1
1 255 . 16 1 1 A 23 23 GLY CA C 23 45.815 46.431 -0.616 1
1 256 . 16 1 1 A 23 23 GLY N N 23 109.353 107.164 2.189 1
1 257 . 16 1 1 A 24 24 THR H H 24 8.151 8.081 0.070 1
1 258 . 16 1 1 A 24 24 THR HA H 24 4.345 4.097 0.248 1
1 263 . 16 1 1 A 24 24 THR C C 24 174.220 174.760 -0.540 1
1 264 . 16 1 1 A 24 24 THR CA C 24 63.084 62.243 0.841 1
1 265 . 16 1 1 A 24 24 THR CB C 24 69.889 68.792 1.097 1
1 267 . 16 1 1 A 24 24 THR N N 24 115.906 115.009 0.897 1
1 268 . 16 1 1 A 25 25 ASP H H 25 8.617 9.149 -0.532 1
1 269 . 16 1 1 A 25 25 ASP HA H 25 4.726 4.310 0.416 1
1 272 . 16 1 1 A 25 25 ASP C C 25 176.172 175.880 0.292 1
1 273 . 16 1 1 A 25 25 ASP CA C 25 54.459 55.508 -1.049 1
1 274 . 16 1 1 A 25 25 ASP CB C 25 41.038 38.724 2.314 1
1 275 . 16 1 1 A 25 25 ASP N N 25 123.841 125.322 -1.481 1
1 276 . 16 1 1 A 26 26 LEU H H 26 8.468 7.720 0.748 1
1 277 . 16 1 1 A 26 26 LEU HA H 26 4.375 3.787 0.588 1
1 287 . 16 1 1 A 26 26 LEU C C 26 176.307 177.219 -0.912 1
1 288 . 16 1 1 A 26 26 LEU CA C 26 54.128 57.055 -2.927 1
1 289 . 16 1 1 A 26 26 LEU CB C 26 41.100 41.341 -0.241 1
1 293 . 16 1 1 A 26 26 LEU N N 26 123.615 119.955 3.660 1
1 294 . 16 1 1 A 27 27 SER H H 27 8.207 7.705 0.502 1
1 295 . 16 1 1 A 27 27 SER HA H 27 4.303 4.247 0.056 1
1 298 . 16 1 1 A 27 27 SER C C 27 175.019 175.309 -0.290 1
1 299 . 16 1 1 A 27 27 SER CA C 27 59.818 60.241 -0.423 1
1 300 . 16 1 1 A 27 27 SER CB C 27 64.198 63.110 1.088 1
1 301 . 16 1 1 A 27 27 SER N N 27 115.102 115.983 -0.881 1
1 302 . 16 1 1 A 28 28 GLY H H 28 8.581 8.710 -0.129 1
1 303 . 16 1 1 A 28 28 GLY HA2 H 28 4.244 4.045 0.199 1
1 304 . 16 1 1 A 28 28 GLY HA3 H 28 3.890 4.049 -0.159 1
1 305 . 16 1 1 A 28 28 GLY C C 28 174.264 172.929 1.335 1
1 306 . 16 1 1 A 28 28 GLY CA C 28 45.393 44.827 0.566 1
1 307 . 16 1 1 A 28 28 GLY N N 28 111.287 111.286 0.001 1
1 308 . 16 1 1 A 29 29 ASP H H 29 8.680 8.589 0.091 1
1 309 . 16 1 1 A 29 29 ASP HA H 29 4.859 5.221 -0.362 1
1 312 . 16 1 1 A 29 29 ASP C C 29 176.461 176.365 0.096 1
1 313 . 16 1 1 A 29 29 ASP CA C 29 54.284 52.728 1.556 1
1 314 . 16 1 1 A 29 29 ASP CB C 29 39.716 42.044 -2.328 1
1 315 . 16 1 1 A 29 29 ASP N N 29 123.263 124.721 -1.458 1
1 316 . 16 1 1 A 30 30 PHE H H 30 8.064 8.601 -0.537 1
1 317 . 16 1 1 A 30 30 PHE HA H 30 4.766 4.743 0.023 1
1 325 . 16 1 1 A 30 30 PHE C C 30 175.486 176.582 -1.096 1
1 326 . 16 1 1 A 30 30 PHE CA C 30 57.460 57.150 0.310 1
1 327 . 16 1 1 A 30 30 PHE CB C 30 40.521 39.411 1.110 1
1 333 . 16 1 1 A 30 30 PHE N N 30 122.340 123.069 -0.729 1
1 334 . 16 1 1 A 31 31 LEU H H 31 7.535 7.500 0.035 1
1 335 . 16 1 1 A 31 31 LEU HA H 31 3.309 3.591 -0.282 1
1 345 . 16 1 1 A 31 31 LEU C C 31 176.442 176.790 -0.348 1
1 346 . 16 1 1 A 31 31 LEU CA C 31 57.841 57.365 0.476 1
1 347 . 16 1 1 A 31 31 LEU CB C 31 42.121 41.450 0.671 1
1 351 . 16 1 1 A 31 31 LEU N N 31 118.974 121.471 -2.497 1
1 352 . 16 1 1 A 32 32 ASP H H 32 8.081 7.529 0.552 1
1 353 . 16 1 1 A 32 32 ASP HA H 32 5.057 4.610 0.447 1
1 356 . 16 1 1 A 32 32 ASP C C 32 176.035 176.215 -0.180 1
1 357 . 16 1 1 A 32 32 ASP CA C 32 53.745 53.861 -0.116 1
1 358 . 16 1 1 A 32 32 ASP CB C 32 41.757 41.356 0.401 1
1 359 . 16 1 1 A 32 32 ASP N N 32 111.858 116.767 -4.909 1
1 360 . 16 1 1 A 33 33 LEU H H 33 7.223 7.339 -0.116 1
1 361 . 16 1 1 A 33 33 LEU HA H 33 4.315 4.190 0.125 1
1 371 . 16 1 1 A 33 33 LEU C C 33 174.834 176.380 -1.546 1
1 372 . 16 1 1 A 33 33 LEU CA C 33 54.484 54.760 -0.276 1
1 373 . 16 1 1 A 33 33 LEU CB C 33 42.469 42.465 0.004 1
1 377 . 16 1 1 A 33 33 LEU N N 33 122.072 122.635 -0.563 1
1 378 . 16 1 1 A 34 34 ARG H H 34 8.486 8.790 -0.304 1
1 379 . 16 1 1 A 34 34 ARG HA H 34 4.746 4.467 0.279 1
1 387 . 16 1 1 A 34 34 ARG C C 34 179.695 177.542 2.153 1
1 388 . 16 1 1 A 34 34 ARG CA C 34 55.460 56.432 -0.972 1
1 389 . 16 1 1 A 34 34 ARG CB C 34 29.981 30.395 -0.414 1
1 393 . 16 1 1 A 34 34 ARG N N 34 116.268 123.657 -7.389 1
1 395 . 16 1 1 A 35 35 PHE H H 35 8.453 8.248 0.205 1
1 396 . 16 1 1 A 35 35 PHE HA H 35 4.398 4.208 0.190 1
1 404 . 16 1 1 A 35 35 PHE C C 35 178.728 178.287 0.441 1
1 405 . 16 1 1 A 35 35 PHE CA C 35 62.994 61.451 1.543 1
1 406 . 16 1 1 A 35 35 PHE CB C 35 37.964 38.534 -0.570 1
1 412 . 16 1 1 A 35 35 PHE N N 35 123.273 122.592 0.681 1
1 413 . 16 1 1 A 36 36 GLU H H 36 9.540 8.628 0.912 1
1 414 . 16 1 1 A 36 36 GLU HA H 36 4.357 4.273 0.084 1
1 419 . 16 1 1 A 36 36 GLU C C 36 178.636 178.572 0.064 1
1 420 . 16 1 1 A 36 36 GLU CA C 36 59.160 60.364 -1.204 1
1 421 . 16 1 1 A 36 36 GLU CB C 36 29.610 29.152 0.458 1
1 423 . 16 1 1 A 36 36 GLU N N 36 117.074 118.598 -1.524 1
1 424 . 16 1 1 A 37 37 ASP H H 37 7.532 7.684 -0.152 1
1 425 . 16 1 1 A 37 37 ASP HA H 37 4.811 4.421 0.390 1
1 428 . 16 1 1 A 37 37 ASP C C 37 177.974 177.642 0.332 1
1 429 . 16 1 1 A 37 37 ASP CA C 37 56.496 56.375 0.121 1
1 430 . 16 1 1 A 37 37 ASP CB C 37 41.271 41.033 0.238 1
1 431 . 16 1 1 A 37 37 ASP N N 37 118.229 119.691 -1.462 1
1 432 . 16 1 1 A 38 38 ILE H H 38 7.728 7.424 0.304 1
1 433 . 16 1 1 A 38 38 ILE HA H 38 4.676 4.305 0.371 1
1 443 . 16 1 1 A 38 38 ILE C C 38 176.102 176.162 -0.060 1
1 444 . 16 1 1 A 38 38 ILE CA C 38 61.973 60.605 1.368 1
1 445 . 16 1 1 A 38 38 ILE CB C 38 38.682 37.468 1.214 1
1 449 . 16 1 1 A 38 38 ILE N N 38 112.806 111.792 1.014 1
1 450 . 16 1 1 A 39 39 GLY H H 39 7.735 8.033 -0.298 1
1 451 . 16 1 1 A 39 39 GLY HA2 H 39 4.271 3.982 0.289 1
1 452 . 16 1 1 A 39 39 GLY HA3 H 39 3.898 3.985 -0.087 1
1 453 . 16 1 1 A 39 39 GLY C C 39 174.444 174.458 -0.014 1
1 454 . 16 1 1 A 39 39 GLY CA C 39 46.438 45.885 0.553 1
1 455 . 16 1 1 A 39 39 GLY N N 39 107.120 110.722 -3.602 1
1 456 . 16 1 1 A 40 40 TYR H H 40 8.081 8.067 0.014 1
1 457 . 16 1 1 A 40 40 TYR HA H 40 4.586 4.641 -0.055 1
1 464 . 16 1 1 A 40 40 TYR C C 40 174.461 175.632 -1.171 1
1 465 . 16 1 1 A 40 40 TYR CA C 40 58.185 58.168 0.017 1
1 466 . 16 1 1 A 40 40 TYR CB C 40 40.424 39.960 0.464 1
1 471 . 16 1 1 A 40 40 TYR N N 40 121.688 119.428 2.260 1
1 472 . 16 1 1 A 41 41 ASP H H 41 8.040 8.940 -0.900 1
1 473 . 16 1 1 A 41 41 ASP HA H 41 4.727 4.897 -0.170 1
1 476 . 16 1 1 A 41 41 ASP C C 41 175.980 177.448 -1.468 1
1 477 . 16 1 1 A 41 41 ASP CA C 41 52.812 54.238 -1.426 1
1 478 . 16 1 1 A 41 41 ASP CB C 41 42.068 41.630 0.438 1
1 479 . 16 1 1 A 41 41 ASP N N 41 124.041 124.726 -0.685 1
1 480 . 16 1 1 A 42 42 SER H H 42 8.561 9.430 -0.869 1
1 481 . 16 1 1 A 42 42 SER HA H 42 4.198 4.003 0.195 1
1 484 . 16 1 1 A 42 42 SER C C 42 176.472 176.763 -0.291 1
1 485 . 16 1 1 A 42 42 SER CA C 42 62.309 62.173 0.136 1
1 486 . 16 1 1 A 42 42 SER CB C 42 62.943 62.484 0.459 1
1 487 . 16 1 1 A 42 42 SER N N 42 114.493 118.889 -4.396 1
1 488 . 16 1 1 A 43 43 LEU H H 43 7.804 8.038 -0.234 1
1 489 . 16 1 1 A 43 43 LEU HA H 43 4.270 4.054 0.216 1
1 499 . 16 1 1 A 43 43 LEU C C 43 179.551 178.385 1.166 1
1 500 . 16 1 1 A 43 43 LEU CA C 43 58.369 57.962 0.407 1
1 501 . 16 1 1 A 43 43 LEU CB C 43 41.057 41.608 -0.551 1
1 505 . 16 1 1 A 43 43 LEU N N 43 122.459 124.468 -2.009 1
1 506 . 16 1 1 A 44 44 ALA H H 44 8.064 8.311 -0.247 1
1 507 . 16 1 1 A 44 44 ALA HA H 44 4.334 4.024 0.310 1
1 511 . 16 1 1 A 44 44 ALA C C 44 181.733 179.792 1.941 1
1 512 . 16 1 1 A 44 44 ALA CA C 44 54.987 55.167 -0.180 1
1 513 . 16 1 1 A 44 44 ALA CB C 44 18.500 18.319 0.181 1
1 514 . 16 1 1 A 44 44 ALA N N 44 123.223 120.750 2.473 1
1 515 . 16 1 1 A 45 45 LEU H H 45 8.422 8.380 0.042 1
1 516 . 16 1 1 A 45 45 LEU HA H 45 3.907 4.231 -0.324 1
1 526 . 16 1 1 A 45 45 LEU C C 45 178.613 179.068 -0.455 1
1 527 . 16 1 1 A 45 45 LEU CA C 45 58.419 57.440 0.979 1
1 528 . 16 1 1 A 45 45 LEU CB C 45 41.643 41.386 0.257 1
1 532 . 16 1 1 A 45 45 LEU N N 45 121.714 120.426 1.288 1
1 533 . 16 1 1 A 46 46 MET H H 46 8.344 7.985 0.359 1
1 534 . 16 1 1 A 46 46 MET HA H 46 4.259 4.057 0.202 1
1 539 . 16 1 1 A 46 46 MET C C 46 179.856 178.393 1.463 1
1 540 . 16 1 1 A 46 46 MET CA C 46 58.769 58.693 0.076 1
1 541 . 16 1 1 A 46 46 MET CB C 46 32.022 32.375 -0.353 1
1 543 . 16 1 1 A 46 46 MET N N 46 119.039 117.003 2.036 1
1 544 . 16 1 1 A 47 47 GLU H H 47 8.414 7.775 0.639 1
1 545 . 16 1 1 A 47 47 GLU HA H 47 4.257 4.103 0.154 1
1 550 . 16 1 1 A 47 47 GLU C C 47 179.208 179.327 -0.119 1
1 551 . 16 1 1 A 47 47 GLU CA C 47 59.504 59.208 0.296 1
1 552 . 16 1 1 A 47 47 GLU CB C 47 29.229 29.344 -0.115 1
1 554 . 16 1 1 A 47 47 GLU N N 47 121.231 120.933 0.298 1
1 555 . 16 1 1 A 48 48 THR H H 48 8.329 7.653 0.676 1
1 556 . 16 1 1 A 48 48 THR HA H 48 3.962 4.635 -0.673 1
1 561 . 16 1 1 A 48 48 THR C C 48 176.334 176.381 -0.047 1
1 562 . 16 1 1 A 48 48 THR CA C 48 67.882 66.641 1.241 1
1 563 . 16 1 1 A 48 48 THR CB C 48 68.478 68.700 -0.222 1
1 565 . 16 1 1 A 48 48 THR N N 48 118.600 117.196 1.404 1
1 566 . 16 1 1 A 49 49 ALA H H 49 8.756 8.678 0.078 1
1 567 . 16 1 1 A 49 49 ALA HA H 49 3.963 3.936 0.027 1
1 571 . 16 1 1 A 49 49 ALA C C 49 178.615 179.397 -0.782 1
1 572 . 16 1 1 A 49 49 ALA CA C 49 56.227 55.498 0.729 1
1 573 . 16 1 1 A 49 49 ALA CB C 49 17.499 17.882 -0.383 1
1 574 . 16 1 1 A 49 49 ALA N N 49 123.599 122.972 0.627 1
1 575 . 16 1 1 A 50 50 ALA H H 50 8.191 8.325 -0.134 1
1 576 . 16 1 1 A 50 50 ALA HA H 50 4.281 4.419 -0.138 1
1 580 . 16 1 1 A 50 50 ALA C C 50 181.272 180.134 1.138 1
1 581 . 16 1 1 A 50 50 ALA CA C 50 55.488 55.210 0.278 1
1 582 . 16 1 1 A 50 50 ALA CB C 50 18.107 18.492 -0.385 1
1 583 . 16 1 1 A 50 50 ALA N N 50 119.558 120.186 -0.628 1
1 584 . 16 1 1 A 51 51 ARG H H 51 8.146 7.920 0.226 1
1 585 . 16 1 1 A 51 51 ARG HA H 51 4.257 4.027 0.230 1
1 593 . 16 1 1 A 51 51 ARG C C 51 179.815 178.959 0.856 1
1 594 . 16 1 1 A 51 51 ARG CA C 51 59.591 59.157 0.434 1
1 595 . 16 1 1 A 51 51 ARG CB C 51 30.400 29.947 0.453 1
1 599 . 16 1 1 A 51 51 ARG N N 51 119.722 118.557 1.165 1
1 601 . 16 1 1 A 52 52 LEU H H 52 8.432 8.141 0.291 1
1 602 . 16 1 1 A 52 52 LEU HA H 52 4.330 4.170 0.160 1
1 612 . 16 1 1 A 52 52 LEU C C 52 179.152 179.254 -0.102 1
1 613 . 16 1 1 A 52 52 LEU CA C 52 58.139 58.149 -0.010 1
1 614 . 16 1 1 A 52 52 LEU CB C 52 42.615 41.130 1.485 1
1 618 . 16 1 1 A 52 52 LEU N N 52 120.470 120.277 0.193 1
1 619 . 16 1 1 A 53 53 GLU H H 53 8.989 8.654 0.335 1
1 620 . 16 1 1 A 53 53 GLU HA H 53 4.105 3.965 0.140 1
1 625 . 16 1 1 A 53 53 GLU C C 53 179.370 178.850 0.520 1
1 626 . 16 1 1 A 53 53 GLU CA C 53 60.145 59.839 0.306 1
1 627 . 16 1 1 A 53 53 GLU CB C 53 29.184 29.271 -0.087 1
1 629 . 16 1 1 A 53 53 GLU N N 53 119.668 118.695 0.973 1
1 630 . 16 1 1 A 54 54 SER H H 54 8.028 8.009 0.019 1
1 631 . 16 1 1 A 54 54 SER HA H 54 4.392 4.126 0.266 1
1 634 . 16 1 1 A 54 54 SER C C 54 176.891 177.358 -0.467 1
1 635 . 16 1 1 A 54 54 SER CA C 54 61.162 61.710 -0.548 1
1 636 . 16 1 1 A 54 54 SER CB C 54 63.222 63.119 0.103 1
1 637 . 16 1 1 A 54 54 SER N N 54 112.842 115.745 -2.903 1
1 638 . 16 1 1 A 55 55 ARG H H 55 8.070 8.363 -0.293 1
1 639 . 16 1 1 A 55 55 ARG HA H 55 4.111 3.979 0.132 1
1 647 . 16 1 1 A 55 55 ARG C C 55 177.830 177.802 0.028 1
1 648 . 16 1 1 A 55 55 ARG CA C 55 58.824 58.908 -0.084 1
1 649 . 16 1 1 A 55 55 ARG CB C 55 30.829 29.777 1.052 1
1 653 . 16 1 1 A 55 55 ARG N N 55 120.550 121.514 -0.964 1
1 655 . 16 1 1 A 56 56 TYR H H 56 8.171 8.020 0.151 1
1 656 . 16 1 1 A 56 56 TYR HA H 56 4.685 4.637 0.048 1
1 663 . 16 1 1 A 56 56 TYR C C 56 176.027 175.851 0.176 1
1 664 . 16 1 1 A 56 56 TYR CA C 56 59.110 58.056 1.054 1
1 665 . 16 1 1 A 56 56 TYR CB C 56 39.339 38.934 0.405 1
1 670 . 16 1 1 A 56 56 TYR N N 56 113.561 114.888 -1.327 1
1 671 . 16 1 1 A 57 57 GLY H H 57 7.998 8.498 -0.500 1
1 672 . 16 1 1 A 57 57 GLY HA2 H 57 4.105 3.989 0.116 1
1 673 . 16 1 1 A 57 57 GLY HA3 H 57 4.105 3.992 0.113 1
1 674 . 16 1 1 A 57 57 GLY C C 57 174.600 173.714 0.886 1
1 675 . 16 1 1 A 57 57 GLY CA C 57 47.349 46.928 0.421 1
1 676 . 16 1 1 A 57 57 GLY N N 57 109.470 110.026 -0.556 1
1 677 . 16 1 1 A 58 58 VAL H H 58 7.515 7.480 0.035 1
1 678 . 16 1 1 A 58 58 VAL HA H 58 4.694 4.769 -0.075 1
1 686 . 16 1 1 A 58 58 VAL C C 58 174.016 173.900 0.116 1
1 687 . 16 1 1 A 58 58 VAL CA C 58 59.282 59.472 -0.190 1
1 688 . 16 1 1 A 58 58 VAL CB C 58 34.791 35.710 -0.919 1
1 691 . 16 1 1 A 58 58 VAL N N 58 112.406 118.797 -6.391 1
1 692 . 16 1 1 A 59 59 SER H H 59 8.489 8.868 -0.379 1
1 693 . 16 1 1 A 59 59 SER HA H 59 4.847 5.465 -0.618 1
1 696 . 16 1 1 A 59 59 SER C C 59 173.643 172.663 0.980 1
1 697 . 16 1 1 A 59 59 SER CA C 59 57.213 57.133 0.080 1
1 698 . 16 1 1 A 59 59 SER CB C 59 64.285 65.050 -0.765 1
1 699 . 16 1 1 A 59 59 SER N N 59 116.724 118.199 -1.475 1
1 700 . 16 1 1 A 60 60 ILE H H 60 8.224 9.627 -1.403 1
1 701 . 16 1 1 A 60 60 ILE HA H 60 4.676 4.598 0.078 1
1 711 . 16 1 1 A 60 60 ILE CA C 60 57.702 57.697 0.005 1
1 712 . 16 1 1 A 60 60 ILE CB C 60 40.520 38.539 1.981 1
1 716 . 16 1 1 A 60 60 ILE N N 60 125.582 126.710 -1.128 1
1 717 . 16 1 1 A 61 61 PRO HA H 61 4.543 4.571 -0.028 1
1 724 . 16 1 1 A 61 61 PRO C C 61 177.547 177.563 -0.016 1
1 725 . 16 1 1 A 61 61 PRO CA C 61 63.523 63.232 0.291 1
1 726 . 16 1 1 A 61 61 PRO CB C 61 32.704 31.853 0.851 1
1 729 . 16 1 1 A 62 62 ASP H H 62 8.857 8.692 0.165 1
1 730 . 16 1 1 A 62 62 ASP HA H 62 4.447 4.295 0.152 1
1 733 . 16 1 1 A 62 62 ASP C C 62 177.504 177.924 -0.420 1
1 734 . 16 1 1 A 62 62 ASP CA C 62 57.105 57.786 -0.681 1
1 735 . 16 1 1 A 62 62 ASP CB C 62 40.668 40.849 -0.181 1
1 736 . 16 1 1 A 62 62 ASP N N 62 123.624 123.198 0.426 1
1 737 . 16 1 1 A 63 63 ASP H H 63 8.691 7.842 0.849 1
1 738 . 16 1 1 A 63 63 ASP HA H 63 4.508 4.442 0.066 1
1 741 . 16 1 1 A 63 63 ASP C C 63 177.468 178.757 -1.289 1
1 742 . 16 1 1 A 63 63 ASP CA C 63 55.267 57.179 -1.912 1
1 743 . 16 1 1 A 63 63 ASP CB C 63 39.691 40.746 -1.055 1
1 744 . 16 1 1 A 63 63 ASP N N 63 116.744 120.086 -3.342 1
1 745 . 16 1 1 A 64 64 VAL H H 64 7.388 7.659 -0.271 1
1 746 . 16 1 1 A 64 64 VAL HA H 64 3.789 3.596 0.193 1
1 754 . 16 1 1 A 64 64 VAL C C 64 177.793 177.863 -0.070 1
1 755 . 16 1 1 A 64 64 VAL CA C 64 65.251 66.331 -1.080 1
1 756 . 16 1 1 A 64 64 VAL CB C 64 32.347 31.412 0.935 1
1 759 . 16 1 1 A 64 64 VAL N N 64 119.303 120.495 -1.192 1
1 760 . 16 1 1 A 65 65 ALA H H 65 8.212 8.412 -0.200 1
1 761 . 16 1 1 A 65 65 ALA HA H 65 3.967 3.998 -0.031 1
1 765 . 16 1 1 A 65 65 ALA C C 65 178.005 179.181 -1.176 1
1 766 . 16 1 1 A 65 65 ALA CA C 65 55.196 55.215 -0.019 1
1 767 . 16 1 1 A 65 65 ALA CB C 65 18.373 18.151 0.222 1
1 768 . 16 1 1 A 65 65 ALA N N 65 122.060 121.661 0.399 1
1 769 . 16 1 1 A 66 66 GLY H H 66 7.995 8.033 -0.038 1
1 770 . 16 1 1 A 66 66 GLY HA2 H 66 4.133 3.947 0.186 1
1 771 . 16 1 1 A 66 66 GLY HA3 H 66 3.912 3.968 -0.056 1
1 772 . 16 1 1 A 66 66 GLY C C 66 174.615 174.899 -0.284 1
1 773 . 16 1 1 A 66 66 GLY CA C 66 45.925 45.359 0.566 1
1 774 . 16 1 1 A 66 66 GLY N N 66 99.445 104.845 -5.400 1
1 775 . 16 1 1 A 67 67 ARG H H 67 7.478 8.289 -0.811 1
1 776 . 16 1 1 A 67 67 ARG HA H 67 4.659 4.594 0.065 1
1 784 . 16 1 1 A 67 67 ARG C C 67 176.470 175.409 1.061 1
1 785 . 16 1 1 A 67 67 ARG CA C 67 55.647 55.758 -0.111 1
1 786 . 16 1 1 A 67 67 ARG CB C 67 31.843 31.542 0.301 1
1 790 . 16 1 1 A 67 67 ARG N N 67 116.761 120.243 -3.482 1
1 792 . 16 1 1 A 68 68 VAL H H 68 7.244 7.550 -0.306 1
1 793 . 16 1 1 A 68 68 VAL HA H 68 4.437 4.194 0.243 1
1 801 . 16 1 1 A 68 68 VAL C C 68 175.250 175.542 -0.292 1
1 802 . 16 1 1 A 68 68 VAL CA C 68 61.919 61.875 0.044 1
1 803 . 16 1 1 A 68 68 VAL CB C 68 33.329 32.391 0.938 1
1 806 . 16 1 1 A 68 68 VAL N N 68 114.725 118.298 -3.573 1
1 807 . 16 1 1 A 69 69 ASP H H 69 9.180 8.836 0.344 1
1 808 . 16 1 1 A 69 69 ASP HA H 69 5.272 4.849 0.423 1
1 811 . 16 1 1 A 69 69 ASP C C 69 177.035 176.229 0.806 1
1 812 . 16 1 1 A 69 69 ASP CA C 69 55.862 56.884 -1.022 1
1 813 . 16 1 1 A 69 69 ASP CB C 69 44.421 42.806 1.615 1
1 814 . 16 1 1 A 69 69 ASP N N 69 120.929 125.330 -4.401 1
1 815 . 16 1 1 A 70 70 THR H H 70 7.490 7.684 -0.194 1
1 816 . 16 1 1 A 70 70 THR HA H 70 4.969 4.337 0.632 1
1 821 . 16 1 1 A 70 70 THR CA C 70 57.776 58.287 -0.511 1
1 822 . 16 1 1 A 70 70 THR CB C 70 71.416 70.120 1.296 1
1 824 . 16 1 1 A 70 70 THR N N 70 107.879 111.020 -3.141 1
1 825 . 16 1 1 A 71 71 PRO HA H 71 4.247 4.290 -0.043 1
1 832 . 16 1 1 A 71 71 PRO C C 71 177.413 177.738 -0.325 1
1 833 . 16 1 1 A 71 71 PRO CA C 71 65.812 65.165 0.647 1
1 834 . 16 1 1 A 71 71 PRO CB C 71 32.647 31.426 1.221 1
1 837 . 16 1 1 A 72 72 ARG H H 72 9.000 7.740 1.260 1
1 838 . 16 1 1 A 72 72 ARG HA H 72 3.619 3.988 -0.369 1
1 850 . 16 1 1 A 72 72 ARG C C 72 177.530 178.847 -1.317 1
1 851 . 16 1 1 A 72 72 ARG CA C 72 60.211 59.163 1.048 1
1 852 . 16 1 1 A 72 72 ARG CB C 72 30.433 29.882 0.551 1
1 856 . 16 1 1 A 72 72 ARG N N 72 117.747 118.305 -0.558 1
1 860 . 16 1 1 A 73 73 GLU H H 73 7.840 7.777 0.063 1
1 861 . 16 1 1 A 73 73 GLU HA H 73 4.245 4.035 0.210 1
1 866 . 16 1 1 A 73 73 GLU C C 73 180.139 179.177 0.962 1
1 867 . 16 1 1 A 73 73 GLU CA C 73 59.071 58.799 0.272 1
1 868 . 16 1 1 A 73 73 GLU CB C 73 30.230 29.532 0.698 1
1 870 . 16 1 1 A 73 73 GLU N N 73 116.639 118.587 -1.948 1
1 871 . 16 1 1 A 74 74 LEU H H 74 7.693 7.794 -0.101 1
1 872 . 16 1 1 A 74 74 LEU HA H 74 4.324 4.057 0.267 1
1 882 . 16 1 1 A 74 74 LEU C C 74 177.000 178.243 -1.243 1
1 883 . 16 1 1 A 74 74 LEU CA C 74 58.123 58.159 -0.036 1
1 884 . 16 1 1 A 74 74 LEU CB C 74 42.242 41.734 0.508 1
1 888 . 16 1 1 A 74 74 LEU N N 74 120.218 122.052 -1.834 1
1 889 . 16 1 1 A 75 75 LEU H H 75 8.731 8.528 0.203 1
1 890 . 16 1 1 A 75 75 LEU HA H 75 3.904 3.938 -0.034 1
1 900 . 16 1 1 A 75 75 LEU C C 75 178.122 177.927 0.195 1
1 901 . 16 1 1 A 75 75 LEU CA C 75 58.462 58.217 0.245 1
1 902 . 16 1 1 A 75 75 LEU CB C 75 42.400 41.032 1.368 1
1 906 . 16 1 1 A 75 75 LEU N N 75 121.211 119.734 1.477 1
1 907 . 16 1 1 A 76 76 ASP H H 76 8.703 8.097 0.606 1
1 908 . 16 1 1 A 76 76 ASP HA H 76 4.497 4.233 0.264 1
1 911 . 16 1 1 A 76 76 ASP C C 76 180.101 178.160 1.941 1
1 912 . 16 1 1 A 76 76 ASP CA C 76 57.325 57.655 -0.330 1
1 913 . 16 1 1 A 76 76 ASP CB C 76 39.936 41.610 -1.674 1
1 914 . 16 1 1 A 76 76 ASP N N 76 117.466 118.850 -1.384 1
1 915 . 16 1 1 A 77 77 LEU H H 77 8.019 7.880 0.139 1
1 916 . 16 1 1 A 77 77 LEU HA H 77 4.282 4.036 0.246 1
1 926 . 16 1 1 A 77 77 LEU C C 77 179.840 178.305 1.535 1
1 927 . 16 1 1 A 77 77 LEU CA C 77 58.417 58.541 -0.124 1
1 928 . 16 1 1 A 77 77 LEU CB C 77 42.856 41.619 1.237 1
1 932 . 16 1 1 A 77 77 LEU N N 77 122.891 120.177 2.714 1
1 933 . 16 1 1 A 78 78 ILE H H 78 8.281 7.956 0.325 1
1 934 . 16 1 1 A 78 78 ILE HA H 78 3.756 3.500 0.256 1
1 944 . 16 1 1 A 78 78 ILE C C 78 177.655 178.204 -0.549 1
1 945 . 16 1 1 A 78 78 ILE CA C 78 64.638 64.985 -0.347 1
1 946 . 16 1 1 A 78 78 ILE CB C 78 37.325 37.195 0.130 1
1 950 . 16 1 1 A 78 78 ILE N N 78 119.758 119.542 0.216 1
1 951 . 16 1 1 A 79 79 ASN H H 79 8.880 9.098 -0.218 1
1 952 . 16 1 1 A 79 79 ASN HA H 79 4.918 4.410 0.508 1
1 957 . 16 1 1 A 79 79 ASN C C 79 179.481 179.098 0.383 1
1 958 . 16 1 1 A 79 79 ASN CA C 79 55.446 56.240 -0.794 1
1 959 . 16 1 1 A 79 79 ASN CB C 79 37.299 37.690 -0.391 1
1 960 . 16 1 1 A 79 79 ASN N N 79 117.848 118.685 -0.837 1
1 962 . 16 1 1 A 80 80 GLY H H 80 8.441 8.702 -0.261 1
1 963 . 16 1 1 A 80 80 GLY HA2 H 80 4.036 3.811 0.225 1
1 964 . 16 1 1 A 80 80 GLY HA3 H 80 4.036 3.811 0.225 1
1 965 . 16 1 1 A 80 80 GLY C C 80 175.746 176.343 -0.597 1
1 966 . 16 1 1 A 80 80 GLY CA C 80 47.065 47.152 -0.087 1
1 967 . 16 1 1 A 80 80 GLY N N 80 110.120 108.907 1.213 1
1 968 . 16 1 1 A 81 81 ALA H H 81 7.604 7.848 -0.244 1
1 969 . 16 1 1 A 81 81 ALA HA H 81 4.467 3.970 0.497 1
1 973 . 16 1 1 A 81 81 ALA C C 81 180.565 180.432 0.133 1
1 974 . 16 1 1 A 81 81 ALA CA C 81 54.298 54.751 -0.453 1
1 975 . 16 1 1 A 81 81 ALA CB C 81 18.530 18.564 -0.034 1
1 976 . 16 1 1 A 81 81 ALA N N 81 124.070 125.136 -1.066 1
1 977 . 16 1 1 A 82 82 LEU H H 82 8.299 8.581 -0.282 1
1 978 . 16 1 1 A 82 82 LEU HA H 82 4.219 4.060 0.159 1
1 988 . 16 1 1 A 82 82 LEU C C 82 178.837 179.282 -0.445 1
1 989 . 16 1 1 A 82 82 LEU CA C 82 56.967 57.454 -0.487 1
1 990 . 16 1 1 A 82 82 LEU CB C 82 42.610 41.190 1.420 1
1 994 . 16 1 1 A 82 82 LEU N N 82 119.823 118.775 1.048 1
1 995 . 16 1 1 A 83 83 ALA H H 83 7.964 7.612 0.352 1
1 996 . 16 1 1 A 83 83 ALA HA H 83 4.298 4.068 0.230 1
1 1000 . 16 1 1 A 83 83 ALA C C 83 178.739 178.775 -0.036 1
1 1001 . 16 1 1 A 83 83 ALA CA C 83 53.965 54.566 -0.601 1
1 1002 . 16 1 1 A 83 83 ALA CB C 83 18.917 18.142 0.775 1
1 1003 . 16 1 1 A 83 83 ALA N N 83 121.306 121.758 -0.452 1
1 1004 . 16 1 1 A 84 84 GLU H H 84 7.746 7.845 -0.099 1
1 1005 . 16 1 1 A 84 84 GLU HA H 84 4.396 4.447 -0.051 1
1 1010 . 16 1 1 A 84 84 GLU C C 84 176.347 176.157 0.190 1
1 1011 . 16 1 1 A 84 84 GLU CA C 84 56.739 56.736 0.003 1
1 1012 . 16 1 1 A 84 84 GLU CB C 84 30.126 30.387 -0.261 1
1 1014 . 16 1 1 A 84 84 GLU N N 84 117.080 114.772 2.308 1
1 1015 . 16 1 1 A 85 85 ALA H H 85 7.832 7.398 0.434 1
1 1016 . 16 1 1 A 85 85 ALA HA H 85 4.485 4.510 -0.025 1
1 1020 . 16 1 1 A 85 85 ALA C C 85 176.564 176.558 0.006 1
1 1021 . 16 1 1 A 85 85 ALA CA C 85 52.485 51.055 1.430 1
1 1022 . 16 1 1 A 85 85 ALA CB C 85 19.529 21.415 -1.886 1
1 1023 . 16 1 1 A 85 85 ALA N N 85 124.010 123.339 0.671 1
1 1 . 17 1 1 A 2 2 ALA HA H 2 4.297 4.855 -0.558 1
1 5 . 17 1 1 A 2 2 ALA C C 2 173.708 176.154 -2.446 1
1 6 . 17 1 1 A 2 2 ALA CA C 2 51.945 51.301 0.644 1
1 7 . 17 1 1 A 2 2 ALA CB C 2 19.979 20.020 -0.041 1
1 8 . 17 1 1 A 3 3 THR H H 3 8.680 7.554 1.126 1
1 9 . 17 1 1 A 3 3 THR HA H 3 4.411 5.377 -0.966 1
1 14 . 17 1 1 A 3 3 THR C C 3 172.914 172.977 -0.063 1
1 15 . 17 1 1 A 3 3 THR CA C 3 62.665 60.556 2.109 1
1 16 . 17 1 1 A 3 3 THR CB C 3 69.902 70.547 -0.645 1
1 18 . 17 1 1 A 3 3 THR N N 3 117.458 114.052 3.406 1
1 19 . 17 1 1 A 4 4 LEU H H 4 8.145 8.382 -0.237 1
1 20 . 17 1 1 A 4 4 LEU HA H 4 4.384 4.547 -0.163 1
1 30 . 17 1 1 A 4 4 LEU C C 4 177.176 174.149 3.027 1
1 31 . 17 1 1 A 4 4 LEU CA C 4 54.765 54.119 0.646 1
1 32 . 17 1 1 A 4 4 LEU CB C 4 42.790 44.457 -1.667 1
1 36 . 17 1 1 A 4 4 LEU N N 4 124.380 127.237 -2.857 1
1 37 . 17 1 1 A 5 5 LEU H H 5 9.419 8.309 1.110 1
1 38 . 17 1 1 A 5 5 LEU HA H 5 4.536 5.118 -0.582 1
1 48 . 17 1 1 A 5 5 LEU C C 5 177.849 176.512 1.337 1
1 49 . 17 1 1 A 5 5 LEU CA C 5 55.488 53.276 2.212 1
1 50 . 17 1 1 A 5 5 LEU CB C 5 42.700 44.380 -1.680 1
1 54 . 17 1 1 A 5 5 LEU N N 5 124.415 124.147 0.268 1
1 55 . 17 1 1 A 6 6 THR H H 6 8.995 8.819 0.176 1
1 56 . 17 1 1 A 6 6 THR HA H 6 4.783 4.810 -0.027 1
1 61 . 17 1 1 A 6 6 THR C C 6 175.943 176.240 -0.297 1
1 62 . 17 1 1 A 6 6 THR CA C 6 59.961 60.096 -0.135 1
1 63 . 17 1 1 A 6 6 THR CB C 6 72.429 70.343 2.086 1
1 65 . 17 1 1 A 6 6 THR N N 6 114.757 116.061 -1.304 1
1 66 . 17 1 1 A 7 7 THR H H 7 8.851 8.963 -0.112 1
1 67 . 17 1 1 A 7 7 THR HA H 7 3.881 3.911 -0.030 1
1 72 . 17 1 1 A 7 7 THR C C 7 176.566 176.334 0.232 1
1 73 . 17 1 1 A 7 7 THR CA C 7 67.277 67.254 0.023 1
1 74 . 17 1 1 A 7 7 THR CB C 7 68.542 68.966 -0.424 1
1 76 . 17 1 1 A 7 7 THR N N 7 115.540 116.715 -1.175 1
1 77 . 17 1 1 A 8 8 ASP H H 8 8.279 8.194 0.085 1
1 78 . 17 1 1 A 8 8 ASP HA H 8 4.638 4.462 0.176 1
1 81 . 17 1 1 A 8 8 ASP C C 8 178.553 178.369 0.184 1
1 82 . 17 1 1 A 8 8 ASP CA C 8 57.738 57.103 0.635 1
1 83 . 17 1 1 A 8 8 ASP CB C 8 41.219 40.901 0.318 1
1 84 . 17 1 1 A 8 8 ASP N N 8 119.967 121.133 -1.166 1
1 85 . 17 1 1 A 9 9 ASP H H 9 7.905 8.216 -0.311 1
1 86 . 17 1 1 A 9 9 ASP HA H 9 4.573 4.500 0.073 1
1 89 . 17 1 1 A 9 9 ASP C C 9 179.411 178.870 0.541 1
1 90 . 17 1 1 A 9 9 ASP CA C 9 57.667 57.508 0.159 1
1 91 . 17 1 1 A 9 9 ASP CB C 9 41.453 40.374 1.079 1
1 92 . 17 1 1 A 9 9 ASP N N 9 120.222 118.535 1.687 1
1 93 . 17 1 1 A 10 10 LEU H H 10 8.097 8.122 -0.025 1
1 94 . 17 1 1 A 10 10 LEU HA H 10 4.225 4.185 0.040 1
1 104 . 17 1 1 A 10 10 LEU C C 10 177.475 178.464 -0.989 1
1 105 . 17 1 1 A 10 10 LEU CA C 10 57.959 58.229 -0.270 1
1 106 . 17 1 1 A 10 10 LEU CB C 10 42.013 41.565 0.448 1
1 110 . 17 1 1 A 10 10 LEU N N 10 121.315 120.810 0.505 1
1 111 . 17 1 1 A 11 11 ARG H H 11 8.841 8.470 0.371 1
1 112 . 17 1 1 A 11 11 ARG HA H 11 3.524 3.717 -0.193 1
1 120 . 17 1 1 A 11 11 ARG C C 11 177.728 178.577 -0.849 1
1 121 . 17 1 1 A 11 11 ARG CA C 11 60.662 59.794 0.868 1
1 122 . 17 1 1 A 11 11 ARG CB C 11 30.618 29.969 0.649 1
1 126 . 17 1 1 A 11 11 ARG N N 11 119.774 119.693 0.081 1
1 128 . 17 1 1 A 12 12 ARG H H 12 7.988 8.199 -0.211 1
1 129 . 17 1 1 A 12 12 ARG HA H 12 4.041 4.016 0.025 1
1 137 . 17 1 1 A 12 12 ARG C C 12 178.452 178.037 0.415 1
1 138 . 17 1 1 A 12 12 ARG CA C 12 59.748 59.313 0.435 1
1 139 . 17 1 1 A 12 12 ARG CB C 12 30.414 30.148 0.266 1
1 143 . 17 1 1 A 12 12 ARG N N 12 115.529 119.333 -3.804 1
1 145 . 17 1 1 A 13 13 ALA H H 13 7.722 7.874 -0.152 1
1 146 . 17 1 1 A 13 13 ALA HA H 13 4.412 4.163 0.249 1
1 150 . 17 1 1 A 13 13 ALA C C 13 180.069 180.270 -0.201 1
1 151 . 17 1 1 A 13 13 ALA CA C 13 54.990 55.077 -0.087 1
1 152 . 17 1 1 A 13 13 ALA CB C 13 18.654 18.141 0.513 1
1 153 . 17 1 1 A 13 13 ALA N N 13 119.900 122.261 -2.361 1
1 154 . 17 1 1 A 14 14 LEU H H 14 8.419 8.157 0.262 1
1 155 . 17 1 1 A 14 14 LEU HA H 14 4.418 4.013 0.405 1
1 165 . 17 1 1 A 14 14 LEU C C 14 180.574 179.123 1.451 1
1 166 . 17 1 1 A 14 14 LEU CA C 14 57.488 58.039 -0.551 1
1 167 . 17 1 1 A 14 14 LEU CB C 14 42.008 42.003 0.005 1
1 171 . 17 1 1 A 14 14 LEU N N 14 119.013 118.149 0.864 1
1 172 . 17 1 1 A 15 15 VAL H H 15 8.501 8.130 0.371 1
1 173 . 17 1 1 A 15 15 VAL HA H 15 3.929 3.503 0.426 1
1 181 . 17 1 1 A 15 15 VAL C C 15 178.956 177.821 1.135 1
1 182 . 17 1 1 A 15 15 VAL CA C 15 66.056 67.062 -1.006 1
1 183 . 17 1 1 A 15 15 VAL CB C 15 32.053 31.527 0.526 1
1 186 . 17 1 1 A 15 15 VAL N N 15 120.534 118.422 2.112 1
1 187 . 17 1 1 A 16 16 GLU H H 16 8.238 8.638 -0.400 1
1 188 . 17 1 1 A 16 16 GLU HA H 16 4.216 3.968 0.248 1
1 193 . 17 1 1 A 16 16 GLU C C 16 178.530 179.297 -0.767 1
1 194 . 17 1 1 A 16 16 GLU CA C 16 58.963 59.807 -0.844 1
1 195 . 17 1 1 A 16 16 GLU CB C 16 29.866 29.256 0.610 1
1 197 . 17 1 1 A 16 16 GLU N N 16 119.771 119.695 0.076 1
1 198 . 17 1 1 A 17 17 SER H H 17 7.808 8.099 -0.291 1
1 199 . 17 1 1 A 17 17 SER HA H 17 4.581 4.345 0.236 1
1 202 . 17 1 1 A 17 17 SER C C 17 174.239 174.783 -0.544 1
1 203 . 17 1 1 A 17 17 SER CA C 17 59.839 60.633 -0.794 1
1 204 . 17 1 1 A 17 17 SER CB C 17 64.127 63.211 0.916 1
1 205 . 17 1 1 A 17 17 SER N N 17 113.608 116.745 -3.137 1
1 206 . 17 1 1 A 18 18 ALA H H 18 7.809 7.619 0.190 1
1 207 . 17 1 1 A 18 18 ALA HA H 18 4.358 4.313 0.045 1
1 211 . 17 1 1 A 18 18 ALA C C 18 178.239 177.602 0.637 1
1 212 . 17 1 1 A 18 18 ALA CA C 18 52.975 51.831 1.144 1
1 213 . 17 1 1 A 18 18 ALA CB C 18 19.808 19.202 0.606 1
1 214 . 17 1 1 A 18 18 ALA N N 18 123.180 121.307 1.873 1
1 215 . 17 1 1 A 19 19 GLY H H 19 8.241 7.761 0.480 1
1 216 . 17 1 1 A 19 19 GLY HA2 H 19 4.060 3.856 0.204 1
1 217 . 17 1 1 A 19 19 GLY HA3 H 19 4.060 3.866 0.194 1
1 218 . 17 1 1 A 19 19 GLY C C 19 174.390 174.637 -0.247 1
1 219 . 17 1 1 A 19 19 GLY CA C 19 45.570 45.552 0.018 1
1 220 . 17 1 1 A 19 19 GLY N N 19 107.414 107.368 0.046 1
1 221 . 17 1 1 A 20 20 GLU H H 20 8.501 8.585 -0.084 1
1 222 . 17 1 1 A 20 20 GLU HA H 20 4.481 3.907 0.574 1
1 227 . 17 1 1 A 20 20 GLU C C 20 176.860 175.559 1.301 1
1 228 . 17 1 1 A 20 20 GLU CA C 20 56.810 57.251 -0.441 1
1 229 . 17 1 1 A 20 20 GLU CB C 20 30.060 27.536 2.524 1
1 231 . 17 1 1 A 20 20 GLU N N 20 120.517 112.408 8.109 1
1 232 . 17 1 1 A 21 21 THR H H 21 8.251 7.931 0.320 1
1 233 . 17 1 1 A 21 21 THR HA H 21 4.526 4.697 -0.171 1
1 238 . 17 1 1 A 21 21 THR C C 21 174.520 175.035 -0.515 1
1 239 . 17 1 1 A 21 21 THR CA C 21 61.836 61.229 0.607 1
1 240 . 17 1 1 A 21 21 THR CB C 21 70.007 69.640 0.367 1
1 242 . 17 1 1 A 21 21 THR N N 21 113.989 114.347 -0.358 1
1 243 . 17 1 1 A 22 22 ASP H H 22 8.497 8.261 0.236 1
1 244 . 17 1 1 A 22 22 ASP HA H 22 4.737 4.640 0.097 1
1 247 . 17 1 1 A 22 22 ASP C C 22 176.877 176.946 -0.069 1
1 248 . 17 1 1 A 22 22 ASP CA C 22 54.739 54.042 0.697 1
1 249 . 17 1 1 A 22 22 ASP CB C 22 41.047 41.940 -0.893 1
1 250 . 17 1 1 A 22 22 ASP N N 22 122.136 121.265 0.871 1
1 251 . 17 1 1 A 23 23 GLY H H 23 8.499 7.828 0.671 1
1 252 . 17 1 1 A 23 23 GLY HA2 H 23 4.087 3.904 0.183 1
1 253 . 17 1 1 A 23 23 GLY HA3 H 23 4.087 3.997 0.090 1
1 254 . 17 1 1 A 23 23 GLY C C 23 174.775 174.654 0.121 1
1 255 . 17 1 1 A 23 23 GLY CA C 23 45.815 45.340 0.475 1
1 256 . 17 1 1 A 23 23 GLY N N 23 109.353 108.976 0.377 1
1 257 . 17 1 1 A 24 24 THR H H 24 8.151 8.485 -0.334 1
1 258 . 17 1 1 A 24 24 THR HA H 24 4.345 4.067 0.278 1
1 263 . 17 1 1 A 24 24 THR C C 24 174.220 173.390 0.830 1
1 264 . 17 1 1 A 24 24 THR CA C 24 63.084 62.974 0.110 1
1 265 . 17 1 1 A 24 24 THR CB C 24 69.889 67.712 2.177 1
1 267 . 17 1 1 A 24 24 THR N N 24 115.906 114.383 1.523 1
1 268 . 17 1 1 A 25 25 ASP H H 25 8.617 8.503 0.114 1
1 269 . 17 1 1 A 25 25 ASP HA H 25 4.726 4.337 0.389 1
1 272 . 17 1 1 A 25 25 ASP C C 25 176.172 176.348 -0.176 1
1 273 . 17 1 1 A 25 25 ASP CA C 25 54.459 54.854 -0.395 1
1 274 . 17 1 1 A 25 25 ASP CB C 25 41.038 39.200 1.838 1
1 275 . 17 1 1 A 25 25 ASP N N 25 123.841 121.124 2.717 1
1 276 . 17 1 1 A 26 26 LEU H H 26 8.468 7.837 0.631 1
1 277 . 17 1 1 A 26 26 LEU HA H 26 4.375 4.370 0.005 1
1 287 . 17 1 1 A 26 26 LEU C C 26 176.307 177.088 -0.781 1
1 288 . 17 1 1 A 26 26 LEU CA C 26 54.128 55.602 -1.474 1
1 289 . 17 1 1 A 26 26 LEU CB C 26 41.100 43.937 -2.837 1
1 293 . 17 1 1 A 26 26 LEU N N 26 123.615 125.375 -1.760 1
1 294 . 17 1 1 A 27 27 SER H H 27 8.207 7.715 0.492 1
1 295 . 17 1 1 A 27 27 SER HA H 27 4.303 4.214 0.089 1
1 298 . 17 1 1 A 27 27 SER C C 27 175.019 175.344 -0.325 1
1 299 . 17 1 1 A 27 27 SER CA C 27 59.818 60.528 -0.710 1
1 300 . 17 1 1 A 27 27 SER CB C 27 64.198 62.951 1.247 1
1 301 . 17 1 1 A 27 27 SER N N 27 115.102 116.529 -1.427 1
1 302 . 17 1 1 A 28 28 GLY H H 28 8.581 8.234 0.347 1
1 303 . 17 1 1 A 28 28 GLY HA2 H 28 4.244 4.082 0.162 1
1 304 . 17 1 1 A 28 28 GLY HA3 H 28 3.890 4.088 -0.198 1
1 305 . 17 1 1 A 28 28 GLY C C 28 174.264 173.334 0.930 1
1 306 . 17 1 1 A 28 28 GLY CA C 28 45.393 44.986 0.407 1
1 307 . 17 1 1 A 28 28 GLY N N 28 111.287 111.655 -0.368 1
1 308 . 17 1 1 A 29 29 ASP H H 29 8.680 8.468 0.212 1
1 309 . 17 1 1 A 29 29 ASP HA H 29 4.859 4.767 0.092 1
1 312 . 17 1 1 A 29 29 ASP C C 29 176.461 176.348 0.113 1
1 313 . 17 1 1 A 29 29 ASP CA C 29 54.284 53.744 0.540 1
1 314 . 17 1 1 A 29 29 ASP CB C 29 39.716 40.692 -0.976 1
1 315 . 17 1 1 A 29 29 ASP N N 29 123.263 125.309 -2.046 1
1 316 . 17 1 1 A 30 30 PHE H H 30 8.064 8.515 -0.451 1
1 317 . 17 1 1 A 30 30 PHE HA H 30 4.766 4.811 -0.045 1
1 325 . 17 1 1 A 30 30 PHE C C 30 175.486 176.470 -0.984 1
1 326 . 17 1 1 A 30 30 PHE CA C 30 57.460 56.978 0.482 1
1 327 . 17 1 1 A 30 30 PHE CB C 30 40.521 39.382 1.139 1
1 333 . 17 1 1 A 30 30 PHE N N 30 122.340 122.244 0.096 1
1 334 . 17 1 1 A 31 31 LEU H H 31 7.535 7.479 0.056 1
1 335 . 17 1 1 A 31 31 LEU HA H 31 3.309 3.599 -0.290 1
1 345 . 17 1 1 A 31 31 LEU C C 31 176.442 177.622 -1.180 1
1 346 . 17 1 1 A 31 31 LEU CA C 31 57.841 57.082 0.759 1
1 347 . 17 1 1 A 31 31 LEU CB C 31 42.121 41.437 0.684 1
1 351 . 17 1 1 A 31 31 LEU N N 31 118.974 121.646 -2.672 1
1 352 . 17 1 1 A 32 32 ASP H H 32 8.081 7.544 0.537 1
1 353 . 17 1 1 A 32 32 ASP HA H 32 5.057 4.526 0.531 1
1 356 . 17 1 1 A 32 32 ASP C C 32 176.035 176.344 -0.309 1
1 357 . 17 1 1 A 32 32 ASP CA C 32 53.745 55.690 -1.945 1
1 358 . 17 1 1 A 32 32 ASP CB C 32 41.757 41.643 0.114 1
1 359 . 17 1 1 A 32 32 ASP N N 32 111.858 117.290 -5.432 1
1 360 . 17 1 1 A 33 33 LEU H H 33 7.223 7.478 -0.255 1
1 361 . 17 1 1 A 33 33 LEU HA H 33 4.315 4.200 0.115 1
1 371 . 17 1 1 A 33 33 LEU C C 33 174.834 176.047 -1.213 1
1 372 . 17 1 1 A 33 33 LEU CA C 33 54.484 54.709 -0.225 1
1 373 . 17 1 1 A 33 33 LEU CB C 33 42.469 41.815 0.654 1
1 377 . 17 1 1 A 33 33 LEU N N 33 122.072 122.114 -0.042 1
1 378 . 17 1 1 A 34 34 ARG H H 34 8.486 8.749 -0.263 1
1 379 . 17 1 1 A 34 34 ARG HA H 34 4.746 4.159 0.587 1
1 387 . 17 1 1 A 34 34 ARG C C 34 179.695 177.723 1.972 1
1 388 . 17 1 1 A 34 34 ARG CA C 34 55.460 56.375 -0.915 1
1 389 . 17 1 1 A 34 34 ARG CB C 34 29.981 30.534 -0.553 1
1 393 . 17 1 1 A 34 34 ARG N N 34 116.268 124.779 -8.511 1
1 395 . 17 1 1 A 35 35 PHE H H 35 8.453 8.358 0.095 1
1 396 . 17 1 1 A 35 35 PHE HA H 35 4.398 4.212 0.186 1
1 404 . 17 1 1 A 35 35 PHE C C 35 178.728 178.158 0.570 1
1 405 . 17 1 1 A 35 35 PHE CA C 35 62.994 61.178 1.816 1
1 406 . 17 1 1 A 35 35 PHE CB C 35 37.964 38.527 -0.563 1
1 412 . 17 1 1 A 35 35 PHE N N 35 123.273 122.002 1.271 1
1 413 . 17 1 1 A 36 36 GLU H H 36 9.540 8.746 0.794 1
1 414 . 17 1 1 A 36 36 GLU HA H 36 4.357 4.161 0.196 1
1 419 . 17 1 1 A 36 36 GLU C C 36 178.636 178.429 0.207 1
1 420 . 17 1 1 A 36 36 GLU CA C 36 59.160 59.415 -0.255 1
1 421 . 17 1 1 A 36 36 GLU CB C 36 29.610 28.990 0.620 1
1 423 . 17 1 1 A 36 36 GLU N N 36 117.074 117.422 -0.348 1
1 424 . 17 1 1 A 37 37 ASP H H 37 7.532 7.705 -0.173 1
1 425 . 17 1 1 A 37 37 ASP HA H 37 4.811 4.457 0.354 1
1 428 . 17 1 1 A 37 37 ASP C C 37 177.974 177.095 0.879 1
1 429 . 17 1 1 A 37 37 ASP CA C 37 56.496 56.024 0.472 1
1 430 . 17 1 1 A 37 37 ASP CB C 37 41.271 40.902 0.369 1
1 431 . 17 1 1 A 37 37 ASP N N 37 118.229 119.949 -1.720 1
1 432 . 17 1 1 A 38 38 ILE H H 38 7.728 7.410 0.318 1
1 433 . 17 1 1 A 38 38 ILE HA H 38 4.676 4.389 0.287 1
1 443 . 17 1 1 A 38 38 ILE C C 38 176.102 176.056 0.046 1
1 444 . 17 1 1 A 38 38 ILE CA C 38 61.973 60.423 1.550 1
1 445 . 17 1 1 A 38 38 ILE CB C 38 38.682 37.633 1.049 1
1 449 . 17 1 1 A 38 38 ILE N N 38 112.806 113.443 -0.637 1
1 450 . 17 1 1 A 39 39 GLY H H 39 7.735 7.742 -0.007 1
1 451 . 17 1 1 A 39 39 GLY HA2 H 39 4.271 4.002 0.269 1
1 452 . 17 1 1 A 39 39 GLY HA3 H 39 3.898 4.003 -0.105 1
1 453 . 17 1 1 A 39 39 GLY C C 39 174.444 174.830 -0.386 1
1 454 . 17 1 1 A 39 39 GLY CA C 39 46.438 46.019 0.419 1
1 455 . 17 1 1 A 39 39 GLY N N 39 107.120 110.837 -3.717 1
1 456 . 17 1 1 A 40 40 TYR H H 40 8.081 8.308 -0.227 1
1 457 . 17 1 1 A 40 40 TYR HA H 40 4.586 4.598 -0.012 1
1 464 . 17 1 1 A 40 40 TYR C C 40 174.461 176.155 -1.694 1
1 465 . 17 1 1 A 40 40 TYR CA C 40 58.185 58.199 -0.014 1
1 466 . 17 1 1 A 40 40 TYR CB C 40 40.424 39.768 0.656 1
1 471 . 17 1 1 A 40 40 TYR N N 40 121.688 119.480 2.208 1
1 472 . 17 1 1 A 41 41 ASP H H 41 8.040 9.030 -0.990 1
1 473 . 17 1 1 A 41 41 ASP HA H 41 4.727 4.860 -0.133 1
1 476 . 17 1 1 A 41 41 ASP C C 41 175.980 177.356 -1.376 1
1 477 . 17 1 1 A 41 41 ASP CA C 41 52.812 53.799 -0.987 1
1 478 . 17 1 1 A 41 41 ASP CB C 41 42.068 41.724 0.344 1
1 479 . 17 1 1 A 41 41 ASP N N 41 124.041 124.327 -0.286 1
1 480 . 17 1 1 A 42 42 SER H H 42 8.561 9.039 -0.478 1
1 481 . 17 1 1 A 42 42 SER HA H 42 4.198 4.061 0.137 1
1 484 . 17 1 1 A 42 42 SER C C 42 176.472 176.799 -0.327 1
1 485 . 17 1 1 A 42 42 SER CA C 42 62.309 62.096 0.213 1
1 486 . 17 1 1 A 42 42 SER CB C 42 62.943 62.520 0.423 1
1 487 . 17 1 1 A 42 42 SER N N 42 114.493 118.442 -3.949 1
1 488 . 17 1 1 A 43 43 LEU H H 43 7.804 8.094 -0.290 1
1 489 . 17 1 1 A 43 43 LEU HA H 43 4.270 4.012 0.258 1
1 499 . 17 1 1 A 43 43 LEU C C 43 179.551 178.185 1.366 1
1 500 . 17 1 1 A 43 43 LEU CA C 43 58.369 58.113 0.256 1
1 501 . 17 1 1 A 43 43 LEU CB C 43 41.057 42.125 -1.068 1
1 505 . 17 1 1 A 43 43 LEU N N 43 122.459 124.577 -2.118 1
1 506 . 17 1 1 A 44 44 ALA H H 44 8.064 8.356 -0.292 1
1 507 . 17 1 1 A 44 44 ALA HA H 44 4.334 4.046 0.288 1
1 511 . 17 1 1 A 44 44 ALA C C 44 181.733 179.811 1.922 1
1 512 . 17 1 1 A 44 44 ALA CA C 44 54.987 55.106 -0.119 1
1 513 . 17 1 1 A 44 44 ALA CB C 44 18.500 18.402 0.098 1
1 514 . 17 1 1 A 44 44 ALA N N 44 123.223 120.677 2.546 1
1 515 . 17 1 1 A 45 45 LEU H H 45 8.422 8.075 0.347 1
1 516 . 17 1 1 A 45 45 LEU HA H 45 3.907 4.123 -0.216 1
1 526 . 17 1 1 A 45 45 LEU C C 45 178.613 178.855 -0.242 1
1 527 . 17 1 1 A 45 45 LEU CA C 45 58.419 57.803 0.616 1
1 528 . 17 1 1 A 45 45 LEU CB C 45 41.643 41.434 0.209 1
1 532 . 17 1 1 A 45 45 LEU N N 45 121.714 120.220 1.494 1
1 533 . 17 1 1 A 46 46 MET H H 46 8.344 8.414 -0.070 1
1 534 . 17 1 1 A 46 46 MET HA H 46 4.259 4.028 0.231 1
1 539 . 17 1 1 A 46 46 MET C C 46 179.856 178.361 1.495 1
1 540 . 17 1 1 A 46 46 MET CA C 46 58.769 58.929 -0.160 1
1 541 . 17 1 1 A 46 46 MET CB C 46 32.022 32.911 -0.889 1
1 543 . 17 1 1 A 46 46 MET N N 46 119.039 117.138 1.901 1
1 544 . 17 1 1 A 47 47 GLU H H 47 8.414 8.125 0.289 1
1 545 . 17 1 1 A 47 47 GLU HA H 47 4.257 4.126 0.131 1
1 550 . 17 1 1 A 47 47 GLU C C 47 179.208 179.427 -0.219 1
1 551 . 17 1 1 A 47 47 GLU CA C 47 59.504 59.119 0.385 1
1 552 . 17 1 1 A 47 47 GLU CB C 47 29.229 29.226 0.003 1
1 554 . 17 1 1 A 47 47 GLU N N 47 121.231 120.273 0.958 1
1 555 . 17 1 1 A 48 48 THR H H 48 8.329 7.860 0.469 1
1 556 . 17 1 1 A 48 48 THR HA H 48 3.962 4.409 -0.447 1
1 561 . 17 1 1 A 48 48 THR C C 48 176.334 176.526 -0.192 1
1 562 . 17 1 1 A 48 48 THR CA C 48 67.882 66.690 1.192 1
1 563 . 17 1 1 A 48 48 THR CB C 48 68.478 68.708 -0.230 1
1 565 . 17 1 1 A 48 48 THR N N 48 118.600 117.021 1.579 1
1 566 . 17 1 1 A 49 49 ALA H H 49 8.756 8.404 0.352 1
1 567 . 17 1 1 A 49 49 ALA HA H 49 3.963 3.951 0.012 1
1 571 . 17 1 1 A 49 49 ALA C C 49 178.615 179.455 -0.840 1
1 572 . 17 1 1 A 49 49 ALA CA C 49 56.227 55.371 0.856 1
1 573 . 17 1 1 A 49 49 ALA CB C 49 17.499 18.013 -0.514 1
1 574 . 17 1 1 A 49 49 ALA N N 49 123.599 123.090 0.509 1
1 575 . 17 1 1 A 50 50 ALA H H 50 8.191 8.302 -0.111 1
1 576 . 17 1 1 A 50 50 ALA HA H 50 4.281 4.459 -0.178 1
1 580 . 17 1 1 A 50 50 ALA C C 50 181.272 180.332 0.940 1
1 581 . 17 1 1 A 50 50 ALA CA C 50 55.488 55.277 0.211 1
1 582 . 17 1 1 A 50 50 ALA CB C 50 18.107 18.386 -0.279 1
1 583 . 17 1 1 A 50 50 ALA N N 50 119.558 120.207 -0.649 1
1 584 . 17 1 1 A 51 51 ARG H H 51 8.146 7.820 0.326 1
1 585 . 17 1 1 A 51 51 ARG HA H 51 4.257 3.995 0.262 1
1 593 . 17 1 1 A 51 51 ARG C C 51 179.815 178.586 1.229 1
1 594 . 17 1 1 A 51 51 ARG CA C 51 59.591 59.096 0.495 1
1 595 . 17 1 1 A 51 51 ARG CB C 51 30.400 30.032 0.368 1
1 599 . 17 1 1 A 51 51 ARG N N 51 119.722 118.243 1.479 1
1 601 . 17 1 1 A 52 52 LEU H H 52 8.432 8.019 0.413 1
1 602 . 17 1 1 A 52 52 LEU HA H 52 4.330 4.030 0.300 1
1 612 . 17 1 1 A 52 52 LEU C C 52 179.152 179.193 -0.041 1
1 613 . 17 1 1 A 52 52 LEU CA C 52 58.139 58.090 0.049 1
1 614 . 17 1 1 A 52 52 LEU CB C 52 42.615 41.303 1.312 1
1 618 . 17 1 1 A 52 52 LEU N N 52 120.470 120.026 0.444 1
1 619 . 17 1 1 A 53 53 GLU H H 53 8.989 8.821 0.168 1
1 620 . 17 1 1 A 53 53 GLU HA H 53 4.105 4.009 0.096 1
1 625 . 17 1 1 A 53 53 GLU C C 53 179.370 179.162 0.208 1
1 626 . 17 1 1 A 53 53 GLU CA C 53 60.145 59.843 0.302 1
1 627 . 17 1 1 A 53 53 GLU CB C 53 29.184 29.297 -0.113 1
1 629 . 17 1 1 A 53 53 GLU N N 53 119.668 118.613 1.055 1
1 630 . 17 1 1 A 54 54 SER H H 54 8.028 8.302 -0.274 1
1 631 . 17 1 1 A 54 54 SER HA H 54 4.392 4.114 0.278 1
1 634 . 17 1 1 A 54 54 SER C C 54 176.891 175.955 0.936 1
1 635 . 17 1 1 A 54 54 SER CA C 54 61.162 61.810 -0.648 1
1 636 . 17 1 1 A 54 54 SER CB C 54 63.222 62.800 0.422 1
1 637 . 17 1 1 A 54 54 SER N N 54 112.842 117.201 -4.359 1
1 638 . 17 1 1 A 55 55 ARG H H 55 8.070 8.214 -0.144 1
1 639 . 17 1 1 A 55 55 ARG HA H 55 4.111 3.927 0.184 1
1 647 . 17 1 1 A 55 55 ARG C C 55 177.830 177.445 0.385 1
1 648 . 17 1 1 A 55 55 ARG CA C 55 58.824 58.748 0.076 1
1 649 . 17 1 1 A 55 55 ARG CB C 55 30.829 29.366 1.463 1
1 653 . 17 1 1 A 55 55 ARG N N 55 120.550 121.386 -0.836 1
1 655 . 17 1 1 A 56 56 TYR H H 56 8.171 7.681 0.490 1
1 656 . 17 1 1 A 56 56 TYR HA H 56 4.685 4.677 0.008 1
1 663 . 17 1 1 A 56 56 TYR C C 56 176.027 175.695 0.332 1
1 664 . 17 1 1 A 56 56 TYR CA C 56 59.110 57.647 1.463 1
1 665 . 17 1 1 A 56 56 TYR CB C 56 39.339 38.681 0.658 1
1 670 . 17 1 1 A 56 56 TYR N N 56 113.561 114.733 -1.172 1
1 671 . 17 1 1 A 57 57 GLY H H 57 7.998 7.969 0.029 1
1 672 . 17 1 1 A 57 57 GLY HA2 H 57 4.105 3.969 0.136 1
1 673 . 17 1 1 A 57 57 GLY HA3 H 57 4.105 3.981 0.124 1
1 674 . 17 1 1 A 57 57 GLY C C 57 174.600 173.677 0.923 1
1 675 . 17 1 1 A 57 57 GLY CA C 57 47.349 47.189 0.160 1
1 676 . 17 1 1 A 57 57 GLY N N 57 109.470 110.006 -0.536 1
1 677 . 17 1 1 A 58 58 VAL H H 58 7.515 7.873 -0.358 1
1 678 . 17 1 1 A 58 58 VAL HA H 58 4.694 4.814 -0.120 1
1 686 . 17 1 1 A 58 58 VAL C C 58 174.016 173.342 0.674 1
1 687 . 17 1 1 A 58 58 VAL CA C 58 59.282 59.471 -0.189 1
1 688 . 17 1 1 A 58 58 VAL CB C 58 34.791 35.701 -0.910 1
1 691 . 17 1 1 A 58 58 VAL N N 58 112.406 119.519 -7.113 1
1 692 . 17 1 1 A 59 59 SER H H 59 8.489 8.660 -0.171 1
1 693 . 17 1 1 A 59 59 SER HA H 59 4.847 5.514 -0.667 1
1 696 . 17 1 1 A 59 59 SER C C 59 173.643 173.288 0.355 1
1 697 . 17 1 1 A 59 59 SER CA C 59 57.213 56.999 0.214 1
1 698 . 17 1 1 A 59 59 SER CB C 59 64.285 65.644 -1.359 1
1 699 . 17 1 1 A 59 59 SER N N 59 116.724 119.100 -2.376 1
1 700 . 17 1 1 A 60 60 ILE H H 60 8.224 9.652 -1.428 1
1 701 . 17 1 1 A 60 60 ILE HA H 60 4.676 4.634 0.042 1
1 711 . 17 1 1 A 60 60 ILE CA C 60 57.702 57.367 0.335 1
1 712 . 17 1 1 A 60 60 ILE CB C 60 40.520 41.265 -0.745 1
1 716 . 17 1 1 A 60 60 ILE N N 60 125.582 124.881 0.701 1
1 717 . 17 1 1 A 61 61 PRO HA H 61 4.543 4.597 -0.054 1
1 724 . 17 1 1 A 61 61 PRO C C 61 177.547 177.606 -0.059 1
1 725 . 17 1 1 A 61 61 PRO CA C 61 63.523 62.927 0.596 1
1 726 . 17 1 1 A 61 61 PRO CB C 61 32.704 32.387 0.317 1
1 729 . 17 1 1 A 62 62 ASP H H 62 8.857 8.639 0.218 1
1 730 . 17 1 1 A 62 62 ASP HA H 62 4.447 4.315 0.132 1
1 733 . 17 1 1 A 62 62 ASP C C 62 177.504 178.082 -0.578 1
1 734 . 17 1 1 A 62 62 ASP CA C 62 57.105 57.827 -0.722 1
1 735 . 17 1 1 A 62 62 ASP CB C 62 40.668 40.874 -0.206 1
1 736 . 17 1 1 A 62 62 ASP N N 62 123.624 122.569 1.055 1
1 737 . 17 1 1 A 63 63 ASP H H 63 8.691 8.181 0.510 1
1 738 . 17 1 1 A 63 63 ASP HA H 63 4.508 4.390 0.118 1
1 741 . 17 1 1 A 63 63 ASP C C 63 177.468 178.804 -1.336 1
1 742 . 17 1 1 A 63 63 ASP CA C 63 55.267 57.035 -1.768 1
1 743 . 17 1 1 A 63 63 ASP CB C 63 39.691 41.185 -1.494 1
1 744 . 17 1 1 A 63 63 ASP N N 63 116.744 119.144 -2.400 1
1 745 . 17 1 1 A 64 64 VAL H H 64 7.388 7.615 -0.227 1
1 746 . 17 1 1 A 64 64 VAL HA H 64 3.789 3.560 0.229 1
1 754 . 17 1 1 A 64 64 VAL C C 64 177.793 178.155 -0.362 1
1 755 . 17 1 1 A 64 64 VAL CA C 64 65.251 66.386 -1.135 1
1 756 . 17 1 1 A 64 64 VAL CB C 64 32.347 31.471 0.876 1
1 759 . 17 1 1 A 64 64 VAL N N 64 119.303 119.426 -0.123 1
1 760 . 17 1 1 A 65 65 ALA H H 65 8.212 8.253 -0.041 1
1 761 . 17 1 1 A 65 65 ALA HA H 65 3.967 4.058 -0.091 1
1 765 . 17 1 1 A 65 65 ALA C C 65 178.005 178.775 -0.770 1
1 766 . 17 1 1 A 65 65 ALA CA C 65 55.196 55.077 0.119 1
1 767 . 17 1 1 A 65 65 ALA CB C 65 18.373 18.407 -0.034 1
1 768 . 17 1 1 A 65 65 ALA N N 65 122.060 121.620 0.440 1
1 769 . 17 1 1 A 66 66 GLY H H 66 7.995 8.094 -0.099 1
1 770 . 17 1 1 A 66 66 GLY HA2 H 66 4.133 3.963 0.170 1
1 771 . 17 1 1 A 66 66 GLY HA3 H 66 3.912 3.982 -0.070 1
1 772 . 17 1 1 A 66 66 GLY C C 66 174.615 174.783 -0.168 1
1 773 . 17 1 1 A 66 66 GLY CA C 66 45.925 45.438 0.487 1
1 774 . 17 1 1 A 66 66 GLY N N 66 99.445 105.147 -5.702 1
1 775 . 17 1 1 A 67 67 ARG H H 67 7.478 7.869 -0.391 1
1 776 . 17 1 1 A 67 67 ARG HA H 67 4.659 4.320 0.339 1
1 784 . 17 1 1 A 67 67 ARG C C 67 176.470 175.894 0.576 1
1 785 . 17 1 1 A 67 67 ARG CA C 67 55.647 57.362 -1.715 1
1 786 . 17 1 1 A 67 67 ARG CB C 67 31.843 30.490 1.353 1
1 790 . 17 1 1 A 67 67 ARG N N 67 116.761 120.106 -3.345 1
1 792 . 17 1 1 A 68 68 VAL H H 68 7.244 6.949 0.295 1
1 793 . 17 1 1 A 68 68 VAL HA H 68 4.437 4.126 0.311 1
1 801 . 17 1 1 A 68 68 VAL C C 68 175.250 175.714 -0.464 1
1 802 . 17 1 1 A 68 68 VAL CA C 68 61.919 61.859 0.060 1
1 803 . 17 1 1 A 68 68 VAL CB C 68 33.329 31.971 1.358 1
1 806 . 17 1 1 A 68 68 VAL N N 68 114.725 116.288 -1.563 1
1 807 . 17 1 1 A 69 69 ASP H H 69 9.180 9.168 0.012 1
1 808 . 17 1 1 A 69 69 ASP HA H 69 5.272 4.846 0.426 1
1 811 . 17 1 1 A 69 69 ASP C C 69 177.035 176.040 0.995 1
1 812 . 17 1 1 A 69 69 ASP CA C 69 55.862 55.824 0.038 1
1 813 . 17 1 1 A 69 69 ASP CB C 69 44.421 42.269 2.152 1
1 814 . 17 1 1 A 69 69 ASP N N 69 120.929 125.832 -4.903 1
1 815 . 17 1 1 A 70 70 THR H H 70 7.490 7.644 -0.154 1
1 816 . 17 1 1 A 70 70 THR HA H 70 4.969 4.346 0.623 1
1 821 . 17 1 1 A 70 70 THR CA C 70 57.776 58.334 -0.558 1
1 822 . 17 1 1 A 70 70 THR CB C 70 71.416 69.894 1.522 1
1 824 . 17 1 1 A 70 70 THR N N 70 107.879 108.518 -0.639 1
1 825 . 17 1 1 A 71 71 PRO HA H 71 4.247 4.265 -0.018 1
1 832 . 17 1 1 A 71 71 PRO C C 71 177.413 178.169 -0.756 1
1 833 . 17 1 1 A 71 71 PRO CA C 71 65.812 65.477 0.335 1
1 834 . 17 1 1 A 71 71 PRO CB C 71 32.647 31.242 1.405 1
1 837 . 17 1 1 A 72 72 ARG H H 72 9.000 8.263 0.737 1
1 838 . 17 1 1 A 72 72 ARG HA H 72 3.619 3.976 -0.357 1
1 850 . 17 1 1 A 72 72 ARG C C 72 177.530 178.659 -1.129 1
1 851 . 17 1 1 A 72 72 ARG CA C 72 60.211 58.970 1.241 1
1 852 . 17 1 1 A 72 72 ARG CB C 72 30.433 29.921 0.512 1
1 856 . 17 1 1 A 72 72 ARG N N 72 117.747 116.797 0.950 1
1 860 . 17 1 1 A 73 73 GLU H H 73 7.840 7.782 0.058 1
1 861 . 17 1 1 A 73 73 GLU HA H 73 4.245 4.054 0.191 1
1 866 . 17 1 1 A 73 73 GLU C C 73 180.139 179.175 0.964 1
1 867 . 17 1 1 A 73 73 GLU CA C 73 59.071 58.788 0.283 1
1 868 . 17 1 1 A 73 73 GLU CB C 73 30.230 29.428 0.802 1
1 870 . 17 1 1 A 73 73 GLU N N 73 116.639 119.007 -2.368 1
1 871 . 17 1 1 A 74 74 LEU H H 74 7.693 7.634 0.059 1
1 872 . 17 1 1 A 74 74 LEU HA H 74 4.324 4.083 0.241 1
1 882 . 17 1 1 A 74 74 LEU C C 74 177.000 178.198 -1.198 1
1 883 . 17 1 1 A 74 74 LEU CA C 74 58.123 58.171 -0.048 1
1 884 . 17 1 1 A 74 74 LEU CB C 74 42.242 41.744 0.498 1
1 888 . 17 1 1 A 74 74 LEU N N 74 120.218 121.849 -1.631 1
1 889 . 17 1 1 A 75 75 LEU H H 75 8.731 8.388 0.343 1
1 890 . 17 1 1 A 75 75 LEU HA H 75 3.904 3.966 -0.062 1
1 900 . 17 1 1 A 75 75 LEU C C 75 178.122 178.007 0.115 1
1 901 . 17 1 1 A 75 75 LEU CA C 75 58.462 58.415 0.047 1
1 902 . 17 1 1 A 75 75 LEU CB C 75 42.400 41.526 0.874 1
1 906 . 17 1 1 A 75 75 LEU N N 75 121.211 119.739 1.472 1
1 907 . 17 1 1 A 76 76 ASP H H 76 8.703 8.497 0.206 1
1 908 . 17 1 1 A 76 76 ASP HA H 76 4.497 4.286 0.211 1
1 911 . 17 1 1 A 76 76 ASP C C 76 180.101 178.687 1.414 1
1 912 . 17 1 1 A 76 76 ASP CA C 76 57.325 57.757 -0.432 1
1 913 . 17 1 1 A 76 76 ASP CB C 76 39.936 41.016 -1.080 1
1 914 . 17 1 1 A 76 76 ASP N N 76 117.466 118.742 -1.276 1
1 915 . 17 1 1 A 77 77 LEU H H 77 8.019 8.295 -0.276 1
1 916 . 17 1 1 A 77 77 LEU HA H 77 4.282 4.018 0.264 1
1 926 . 17 1 1 A 77 77 LEU C C 77 179.840 179.330 0.510 1
1 927 . 17 1 1 A 77 77 LEU CA C 77 58.417 58.146 0.271 1
1 928 . 17 1 1 A 77 77 LEU CB C 77 42.856 41.811 1.045 1
1 932 . 17 1 1 A 77 77 LEU N N 77 122.891 119.788 3.103 1
1 933 . 17 1 1 A 78 78 ILE H H 78 8.281 8.009 0.272 1
1 934 . 17 1 1 A 78 78 ILE HA H 78 3.756 3.528 0.228 1
1 944 . 17 1 1 A 78 78 ILE C C 78 177.655 177.698 -0.043 1
1 945 . 17 1 1 A 78 78 ILE CA C 78 64.638 65.190 -0.552 1
1 946 . 17 1 1 A 78 78 ILE CB C 78 37.325 37.421 -0.096 1
1 950 . 17 1 1 A 78 78 ILE N N 78 119.758 119.770 -0.012 1
1 951 . 17 1 1 A 79 79 ASN H H 79 8.880 9.197 -0.317 1
1 952 . 17 1 1 A 79 79 ASN HA H 79 4.918 4.343 0.575 1
1 957 . 17 1 1 A 79 79 ASN C C 79 179.481 178.942 0.539 1
1 958 . 17 1 1 A 79 79 ASN CA C 79 55.446 56.232 -0.786 1
1 959 . 17 1 1 A 79 79 ASN CB C 79 37.299 37.848 -0.549 1
1 960 . 17 1 1 A 79 79 ASN N N 79 117.848 118.358 -0.510 1
1 962 . 17 1 1 A 80 80 GLY H H 80 8.441 8.615 -0.174 1
1 963 . 17 1 1 A 80 80 GLY HA2 H 80 4.036 3.800 0.236 1
1 964 . 17 1 1 A 80 80 GLY HA3 H 80 4.036 3.805 0.231 1
1 965 . 17 1 1 A 80 80 GLY C C 80 175.746 176.078 -0.332 1
1 966 . 17 1 1 A 80 80 GLY CA C 80 47.065 47.227 -0.162 1
1 967 . 17 1 1 A 80 80 GLY N N 80 110.120 109.402 0.718 1
1 968 . 17 1 1 A 81 81 ALA H H 81 7.604 7.630 -0.026 1
1 969 . 17 1 1 A 81 81 ALA HA H 81 4.467 3.982 0.485 1
1 973 . 17 1 1 A 81 81 ALA C C 81 180.565 180.255 0.310 1
1 974 . 17 1 1 A 81 81 ALA CA C 81 54.298 54.544 -0.246 1
1 975 . 17 1 1 A 81 81 ALA CB C 81 18.530 18.370 0.160 1
1 976 . 17 1 1 A 81 81 ALA N N 81 124.070 125.499 -1.429 1
1 977 . 17 1 1 A 82 82 LEU H H 82 8.299 8.584 -0.285 1
1 978 . 17 1 1 A 82 82 LEU HA H 82 4.219 3.954 0.265 1
1 988 . 17 1 1 A 82 82 LEU C C 82 178.837 179.178 -0.341 1
1 989 . 17 1 1 A 82 82 LEU CA C 82 56.967 57.819 -0.852 1
1 990 . 17 1 1 A 82 82 LEU CB C 82 42.610 41.128 1.482 1
1 994 . 17 1 1 A 82 82 LEU N N 82 119.823 120.354 -0.531 1
1 995 . 17 1 1 A 83 83 ALA H H 83 7.964 8.398 -0.434 1
1 996 . 17 1 1 A 83 83 ALA HA H 83 4.298 4.001 0.297 1
1 1000 . 17 1 1 A 83 83 ALA C C 83 178.739 179.486 -0.747 1
1 1001 . 17 1 1 A 83 83 ALA CA C 83 53.965 54.945 -0.980 1
1 1002 . 17 1 1 A 83 83 ALA CB C 83 18.917 18.023 0.894 1
1 1003 . 17 1 1 A 83 83 ALA N N 83 121.306 121.930 -0.624 1
1 1004 . 17 1 1 A 84 84 GLU H H 84 7.746 7.604 0.142 1
1 1005 . 17 1 1 A 84 84 GLU HA H 84 4.396 4.037 0.359 1
1 1010 . 17 1 1 A 84 84 GLU C C 84 176.347 179.208 -2.861 1
1 1011 . 17 1 1 A 84 84 GLU CA C 84 56.739 58.940 -2.201 1
1 1012 . 17 1 1 A 84 84 GLU CB C 84 30.126 29.170 0.956 1
1 1014 . 17 1 1 A 84 84 GLU N N 84 117.080 118.461 -1.381 1
1 1015 . 17 1 1 A 85 85 ALA H H 85 7.832 8.171 -0.339 1
1 1016 . 17 1 1 A 85 85 ALA HA H 85 4.485 4.163 0.322 1
1 1020 . 17 1 1 A 85 85 ALA C C 85 176.564 178.996 -2.432 1
1 1021 . 17 1 1 A 85 85 ALA CA C 85 52.485 54.943 -2.458 1
1 1022 . 17 1 1 A 85 85 ALA CB C 85 19.529 18.455 1.074 1
1 1023 . 17 1 1 A 85 85 ALA N N 85 124.010 123.121 0.889 1
1 1 . 18 1 1 A 2 2 ALA HA H 2 4.297 4.474 -0.177 1
1 5 . 18 1 1 A 2 2 ALA C C 2 173.708 175.505 -1.797 1
1 6 . 18 1 1 A 2 2 ALA CA C 2 51.945 51.301 0.644 1
1 7 . 18 1 1 A 2 2 ALA CB C 2 19.979 17.852 2.127 1
1 8 . 18 1 1 A 3 3 THR H H 3 8.680 8.600 0.080 1
1 9 . 18 1 1 A 3 3 THR HA H 3 4.411 4.927 -0.516 1
1 14 . 18 1 1 A 3 3 THR C C 3 172.914 174.017 -1.103 1
1 15 . 18 1 1 A 3 3 THR CA C 3 62.665 62.018 0.647 1
1 16 . 18 1 1 A 3 3 THR CB C 3 69.902 69.828 0.074 1
1 18 . 18 1 1 A 3 3 THR N N 3 117.458 118.284 -0.826 1
1 19 . 18 1 1 A 4 4 LEU H H 4 8.145 8.887 -0.742 1
1 20 . 18 1 1 A 4 4 LEU HA H 4 4.384 4.184 0.200 1
1 30 . 18 1 1 A 4 4 LEU C C 4 177.176 177.232 -0.056 1
1 31 . 18 1 1 A 4 4 LEU CA C 4 54.765 54.484 0.281 1
1 32 . 18 1 1 A 4 4 LEU CB C 4 42.790 42.085 0.705 1
1 36 . 18 1 1 A 4 4 LEU N N 4 124.380 128.401 -4.021 1
1 37 . 18 1 1 A 5 5 LEU H H 5 9.419 8.290 1.129 1
1 38 . 18 1 1 A 5 5 LEU HA H 5 4.536 4.809 -0.273 1
1 48 . 18 1 1 A 5 5 LEU C C 5 177.849 176.826 1.023 1
1 49 . 18 1 1 A 5 5 LEU CA C 5 55.488 53.687 1.801 1
1 50 . 18 1 1 A 5 5 LEU CB C 5 42.700 43.008 -0.308 1
1 54 . 18 1 1 A 5 5 LEU N N 5 124.415 122.500 1.915 1
1 55 . 18 1 1 A 6 6 THR H H 6 8.995 8.734 0.261 1
1 56 . 18 1 1 A 6 6 THR HA H 6 4.783 4.774 0.009 1
1 61 . 18 1 1 A 6 6 THR C C 6 175.943 176.316 -0.373 1
1 62 . 18 1 1 A 6 6 THR CA C 6 59.961 60.069 -0.108 1
1 63 . 18 1 1 A 6 6 THR CB C 6 72.429 70.376 2.053 1
1 65 . 18 1 1 A 6 6 THR N N 6 114.757 116.081 -1.324 1
1 66 . 18 1 1 A 7 7 THR H H 7 8.851 8.910 -0.059 1
1 67 . 18 1 1 A 7 7 THR HA H 7 3.881 3.911 -0.030 1
1 72 . 18 1 1 A 7 7 THR C C 7 176.566 176.004 0.562 1
1 73 . 18 1 1 A 7 7 THR CA C 7 67.277 67.208 0.069 1
1 74 . 18 1 1 A 7 7 THR CB C 7 68.542 68.909 -0.367 1
1 76 . 18 1 1 A 7 7 THR N N 7 115.540 116.704 -1.164 1
1 77 . 18 1 1 A 8 8 ASP H H 8 8.279 8.405 -0.126 1
1 78 . 18 1 1 A 8 8 ASP HA H 8 4.638 4.371 0.267 1
1 81 . 18 1 1 A 8 8 ASP C C 8 178.553 178.218 0.335 1
1 82 . 18 1 1 A 8 8 ASP CA C 8 57.738 57.957 -0.219 1
1 83 . 18 1 1 A 8 8 ASP CB C 8 41.219 41.235 -0.016 1
1 84 . 18 1 1 A 8 8 ASP N N 8 119.967 121.252 -1.285 1
1 85 . 18 1 1 A 9 9 ASP H H 9 7.905 8.170 -0.265 1
1 86 . 18 1 1 A 9 9 ASP HA H 9 4.573 4.521 0.052 1
1 89 . 18 1 1 A 9 9 ASP C C 9 179.411 178.882 0.529 1
1 90 . 18 1 1 A 9 9 ASP CA C 9 57.667 57.568 0.099 1
1 91 . 18 1 1 A 9 9 ASP CB C 9 41.453 40.713 0.740 1
1 92 . 18 1 1 A 9 9 ASP N N 9 120.222 118.654 1.568 1
1 93 . 18 1 1 A 10 10 LEU H H 10 8.097 8.224 -0.127 1
1 94 . 18 1 1 A 10 10 LEU HA H 10 4.225 4.164 0.061 1
1 104 . 18 1 1 A 10 10 LEU C C 10 177.475 178.535 -1.060 1
1 105 . 18 1 1 A 10 10 LEU CA C 10 57.959 58.168 -0.209 1
1 106 . 18 1 1 A 10 10 LEU CB C 10 42.013 41.473 0.540 1
1 110 . 18 1 1 A 10 10 LEU N N 10 121.315 120.601 0.714 1
1 111 . 18 1 1 A 11 11 ARG H H 11 8.841 8.268 0.573 1
1 112 . 18 1 1 A 11 11 ARG HA H 11 3.524 3.851 -0.327 1
1 120 . 18 1 1 A 11 11 ARG C C 11 177.728 178.566 -0.838 1
1 121 . 18 1 1 A 11 11 ARG CA C 11 60.662 59.779 0.883 1
1 122 . 18 1 1 A 11 11 ARG CB C 11 30.618 29.882 0.736 1
1 126 . 18 1 1 A 11 11 ARG N N 11 119.774 119.523 0.251 1
1 128 . 18 1 1 A 12 12 ARG H H 12 7.988 7.861 0.127 1
1 129 . 18 1 1 A 12 12 ARG HA H 12 4.041 4.021 0.020 1
1 137 . 18 1 1 A 12 12 ARG C C 12 178.452 178.049 0.403 1
1 138 . 18 1 1 A 12 12 ARG CA C 12 59.748 59.234 0.514 1
1 139 . 18 1 1 A 12 12 ARG CB C 12 30.414 30.051 0.363 1
1 143 . 18 1 1 A 12 12 ARG N N 12 115.529 119.676 -4.147 1
1 145 . 18 1 1 A 13 13 ALA H H 13 7.722 7.760 -0.038 1
1 146 . 18 1 1 A 13 13 ALA HA H 13 4.412 4.173 0.239 1
1 150 . 18 1 1 A 13 13 ALA C C 13 180.069 180.334 -0.265 1
1 151 . 18 1 1 A 13 13 ALA CA C 13 54.990 54.993 -0.003 1
1 152 . 18 1 1 A 13 13 ALA CB C 13 18.654 18.232 0.422 1
1 153 . 18 1 1 A 13 13 ALA N N 13 119.900 122.488 -2.588 1
1 154 . 18 1 1 A 14 14 LEU H H 14 8.419 7.760 0.659 1
1 155 . 18 1 1 A 14 14 LEU HA H 14 4.418 3.976 0.442 1
1 165 . 18 1 1 A 14 14 LEU C C 14 180.574 179.699 0.875 1
1 166 . 18 1 1 A 14 14 LEU CA C 14 57.488 57.906 -0.418 1
1 167 . 18 1 1 A 14 14 LEU CB C 14 42.008 41.426 0.582 1
1 171 . 18 1 1 A 14 14 LEU N N 14 119.013 118.723 0.290 1
1 172 . 18 1 1 A 15 15 VAL H H 15 8.501 8.030 0.471 1
1 173 . 18 1 1 A 15 15 VAL HA H 15 3.929 3.619 0.310 1
1 181 . 18 1 1 A 15 15 VAL C C 15 178.956 178.244 0.712 1
1 182 . 18 1 1 A 15 15 VAL CA C 15 66.056 67.076 -1.020 1
1 183 . 18 1 1 A 15 15 VAL CB C 15 32.053 31.303 0.750 1
1 186 . 18 1 1 A 15 15 VAL N N 15 120.534 120.676 -0.142 1
1 187 . 18 1 1 A 16 16 GLU H H 16 8.238 8.643 -0.405 1
1 188 . 18 1 1 A 16 16 GLU HA H 16 4.216 3.994 0.222 1
1 193 . 18 1 1 A 16 16 GLU C C 16 178.530 178.620 -0.090 1
1 194 . 18 1 1 A 16 16 GLU CA C 16 58.963 59.858 -0.895 1
1 195 . 18 1 1 A 16 16 GLU CB C 16 29.866 29.290 0.576 1
1 197 . 18 1 1 A 16 16 GLU N N 16 119.771 120.338 -0.567 1
1 198 . 18 1 1 A 17 17 SER H H 17 7.808 8.148 -0.340 1
1 199 . 18 1 1 A 17 17 SER HA H 17 4.581 4.284 0.297 1
1 202 . 18 1 1 A 17 17 SER C C 17 174.239 175.564 -1.325 1
1 203 . 18 1 1 A 17 17 SER CA C 17 59.839 61.295 -1.456 1
1 204 . 18 1 1 A 17 17 SER CB C 17 64.127 62.744 1.383 1
1 205 . 18 1 1 A 17 17 SER N N 17 113.608 114.733 -1.125 1
1 206 . 18 1 1 A 18 18 ALA H H 18 7.809 7.850 -0.041 1
1 207 . 18 1 1 A 18 18 ALA HA H 18 4.358 4.358 0.000 1
1 211 . 18 1 1 A 18 18 ALA C C 18 178.239 178.285 -0.046 1
1 212 . 18 1 1 A 18 18 ALA CA C 18 52.975 52.455 0.520 1
1 213 . 18 1 1 A 18 18 ALA CB C 18 19.808 18.761 1.047 1
1 214 . 18 1 1 A 18 18 ALA N N 18 123.180 122.257 0.923 1
1 215 . 18 1 1 A 19 19 GLY H H 19 8.241 8.145 0.096 1
1 216 . 18 1 1 A 19 19 GLY HA2 H 19 4.060 3.961 0.099 1
1 217 . 18 1 1 A 19 19 GLY HA3 H 19 4.060 3.964 0.096 1
1 218 . 18 1 1 A 19 19 GLY C C 19 174.390 173.833 0.557 1
1 219 . 18 1 1 A 19 19 GLY CA C 19 45.570 45.428 0.142 1
1 220 . 18 1 1 A 19 19 GLY N N 19 107.414 107.070 0.344 1
1 221 . 18 1 1 A 20 20 GLU H H 20 8.501 7.557 0.944 1
1 222 . 18 1 1 A 20 20 GLU HA H 20 4.481 4.639 -0.158 1
1 227 . 18 1 1 A 20 20 GLU C C 20 176.860 175.963 0.897 1
1 228 . 18 1 1 A 20 20 GLU CA C 20 56.810 55.035 1.775 1
1 229 . 18 1 1 A 20 20 GLU CB C 20 30.060 30.418 -0.358 1
1 231 . 18 1 1 A 20 20 GLU N N 20 120.517 118.843 1.674 1
1 232 . 18 1 1 A 21 21 THR H H 21 8.251 9.300 -1.049 1
1 233 . 18 1 1 A 21 21 THR HA H 21 4.526 4.272 0.254 1
1 238 . 18 1 1 A 21 21 THR C C 21 174.520 173.489 1.031 1
1 239 . 18 1 1 A 21 21 THR CA C 21 61.836 62.978 -1.142 1
1 240 . 18 1 1 A 21 21 THR CB C 21 70.007 67.675 2.332 1
1 242 . 18 1 1 A 21 21 THR N N 21 113.989 117.657 -3.668 1
1 243 . 18 1 1 A 22 22 ASP H H 22 8.497 8.708 -0.211 1
1 244 . 18 1 1 A 22 22 ASP HA H 22 4.737 4.575 0.162 1
1 247 . 18 1 1 A 22 22 ASP C C 22 176.877 174.564 2.313 1
1 248 . 18 1 1 A 22 22 ASP CA C 22 54.739 56.173 -1.434 1
1 249 . 18 1 1 A 22 22 ASP CB C 22 41.047 39.558 1.489 1
1 250 . 18 1 1 A 22 22 ASP N N 22 122.136 124.190 -2.054 1
1 251 . 18 1 1 A 23 23 GLY H H 23 8.499 8.422 0.077 1
1 252 . 18 1 1 A 23 23 GLY HA2 H 23 4.087 4.231 -0.144 1
1 253 . 18 1 1 A 23 23 GLY HA3 H 23 4.087 4.247 -0.160 1
1 254 . 18 1 1 A 23 23 GLY C C 23 174.775 173.714 1.061 1
1 255 . 18 1 1 A 23 23 GLY CA C 23 45.815 45.721 0.094 1
1 256 . 18 1 1 A 23 23 GLY N N 23 109.353 107.763 1.590 1
1 257 . 18 1 1 A 24 24 THR H H 24 8.151 8.335 -0.184 1
1 258 . 18 1 1 A 24 24 THR HA H 24 4.345 4.056 0.289 1
1 263 . 18 1 1 A 24 24 THR C C 24 174.220 174.406 -0.186 1
1 264 . 18 1 1 A 24 24 THR CA C 24 63.084 63.594 -0.510 1
1 265 . 18 1 1 A 24 24 THR CB C 24 69.889 69.244 0.645 1
1 267 . 18 1 1 A 24 24 THR N N 24 115.906 115.622 0.284 1
1 268 . 18 1 1 A 25 25 ASP H H 25 8.617 8.750 -0.133 1
1 269 . 18 1 1 A 25 25 ASP HA H 25 4.726 4.649 0.077 1
1 272 . 18 1 1 A 25 25 ASP C C 25 176.172 176.484 -0.312 1
1 273 . 18 1 1 A 25 25 ASP CA C 25 54.459 54.467 -0.008 1
1 274 . 18 1 1 A 25 25 ASP CB C 25 41.038 41.000 0.038 1
1 275 . 18 1 1 A 25 25 ASP N N 25 123.841 127.206 -3.365 1
1 276 . 18 1 1 A 26 26 LEU H H 26 8.468 8.923 -0.455 1
1 277 . 18 1 1 A 26 26 LEU HA H 26 4.375 4.544 -0.169 1
1 287 . 18 1 1 A 26 26 LEU C C 26 176.307 175.893 0.414 1
1 288 . 18 1 1 A 26 26 LEU CA C 26 54.128 53.628 0.500 1
1 289 . 18 1 1 A 26 26 LEU CB C 26 41.100 42.340 -1.240 1
1 293 . 18 1 1 A 26 26 LEU N N 26 123.615 129.751 -6.136 1
1 294 . 18 1 1 A 27 27 SER H H 27 8.207 7.549 0.658 1
1 295 . 18 1 1 A 27 27 SER HA H 27 4.303 4.377 -0.074 1
1 298 . 18 1 1 A 27 27 SER C C 27 175.019 174.717 0.302 1
1 299 . 18 1 1 A 27 27 SER CA C 27 59.818 59.370 0.448 1
1 300 . 18 1 1 A 27 27 SER CB C 27 64.198 63.062 1.136 1
1 301 . 18 1 1 A 27 27 SER N N 27 115.102 114.253 0.849 1
1 302 . 18 1 1 A 28 28 GLY H H 28 8.581 8.653 -0.072 1
1 303 . 18 1 1 A 28 28 GLY HA2 H 28 4.244 4.134 0.110 1
1 304 . 18 1 1 A 28 28 GLY HA3 H 28 3.890 4.135 -0.245 1
1 305 . 18 1 1 A 28 28 GLY C C 28 174.264 172.862 1.402 1
1 306 . 18 1 1 A 28 28 GLY CA C 28 45.393 44.195 1.198 1
1 307 . 18 1 1 A 28 28 GLY N N 28 111.287 109.907 1.380 1
1 308 . 18 1 1 A 29 29 ASP H H 29 8.680 8.446 0.234 1
1 309 . 18 1 1 A 29 29 ASP HA H 29 4.859 4.827 0.032 1
1 312 . 18 1 1 A 29 29 ASP C C 29 176.461 176.382 0.079 1
1 313 . 18 1 1 A 29 29 ASP CA C 29 54.284 53.723 0.561 1
1 314 . 18 1 1 A 29 29 ASP CB C 29 39.716 40.981 -1.265 1
1 315 . 18 1 1 A 29 29 ASP N N 29 123.263 122.872 0.391 1
1 316 . 18 1 1 A 30 30 PHE H H 30 8.064 8.653 -0.589 1
1 317 . 18 1 1 A 30 30 PHE HA H 30 4.766 4.830 -0.064 1
1 325 . 18 1 1 A 30 30 PHE C C 30 175.486 176.549 -1.063 1
1 326 . 18 1 1 A 30 30 PHE CA C 30 57.460 57.004 0.456 1
1 327 . 18 1 1 A 30 30 PHE CB C 30 40.521 39.363 1.158 1
1 333 . 18 1 1 A 30 30 PHE N N 30 122.340 122.278 0.062 1
1 334 . 18 1 1 A 31 31 LEU H H 31 7.535 7.520 0.015 1
1 335 . 18 1 1 A 31 31 LEU HA H 31 3.309 3.620 -0.311 1
1 345 . 18 1 1 A 31 31 LEU C C 31 176.442 177.055 -0.613 1
1 346 . 18 1 1 A 31 31 LEU CA C 31 57.841 57.213 0.628 1
1 347 . 18 1 1 A 31 31 LEU CB C 31 42.121 41.681 0.440 1
1 351 . 18 1 1 A 31 31 LEU N N 31 118.974 121.491 -2.517 1
1 352 . 18 1 1 A 32 32 ASP H H 32 8.081 7.533 0.548 1
1 353 . 18 1 1 A 32 32 ASP HA H 32 5.057 4.622 0.435 1
1 356 . 18 1 1 A 32 32 ASP C C 32 176.035 176.192 -0.157 1
1 357 . 18 1 1 A 32 32 ASP CA C 32 53.745 53.957 -0.212 1
1 358 . 18 1 1 A 32 32 ASP CB C 32 41.757 41.583 0.174 1
1 359 . 18 1 1 A 32 32 ASP N N 32 111.858 116.532 -4.674 1
1 360 . 18 1 1 A 33 33 LEU H H 33 7.223 7.352 -0.129 1
1 361 . 18 1 1 A 33 33 LEU HA H 33 4.315 4.187 0.128 1
1 371 . 18 1 1 A 33 33 LEU C C 33 174.834 176.047 -1.213 1
1 372 . 18 1 1 A 33 33 LEU CA C 33 54.484 54.640 -0.156 1
1 373 . 18 1 1 A 33 33 LEU CB C 33 42.469 41.586 0.883 1
1 377 . 18 1 1 A 33 33 LEU N N 33 122.072 122.632 -0.560 1
1 378 . 18 1 1 A 34 34 ARG H H 34 8.486 8.763 -0.277 1
1 379 . 18 1 1 A 34 34 ARG HA H 34 4.746 4.449 0.297 1
1 387 . 18 1 1 A 34 34 ARG C C 34 179.695 177.757 1.938 1
1 388 . 18 1 1 A 34 34 ARG CA C 34 55.460 56.058 -0.598 1
1 389 . 18 1 1 A 34 34 ARG CB C 34 29.981 30.706 -0.725 1
1 393 . 18 1 1 A 34 34 ARG N N 34 116.268 124.563 -8.295 1
1 395 . 18 1 1 A 35 35 PHE H H 35 8.453 8.391 0.062 1
1 396 . 18 1 1 A 35 35 PHE HA H 35 4.398 4.270 0.128 1
1 404 . 18 1 1 A 35 35 PHE C C 35 178.728 178.242 0.486 1
1 405 . 18 1 1 A 35 35 PHE CA C 35 62.994 60.842 2.152 1
1 406 . 18 1 1 A 35 35 PHE CB C 35 37.964 38.458 -0.494 1
1 412 . 18 1 1 A 35 35 PHE N N 35 123.273 121.994 1.279 1
1 413 . 18 1 1 A 36 36 GLU H H 36 9.540 8.733 0.807 1
1 414 . 18 1 1 A 36 36 GLU HA H 36 4.357 4.138 0.219 1
1 419 . 18 1 1 A 36 36 GLU C C 36 178.636 178.478 0.158 1
1 420 . 18 1 1 A 36 36 GLU CA C 36 59.160 59.391 -0.231 1
1 421 . 18 1 1 A 36 36 GLU CB C 36 29.610 28.848 0.762 1
1 423 . 18 1 1 A 36 36 GLU N N 36 117.074 117.457 -0.383 1
1 424 . 18 1 1 A 37 37 ASP H H 37 7.532 7.639 -0.107 1
1 425 . 18 1 1 A 37 37 ASP HA H 37 4.811 4.434 0.377 1
1 428 . 18 1 1 A 37 37 ASP C C 37 177.974 177.598 0.376 1
1 429 . 18 1 1 A 37 37 ASP CA C 37 56.496 56.365 0.131 1
1 430 . 18 1 1 A 37 37 ASP CB C 37 41.271 41.044 0.227 1
1 431 . 18 1 1 A 37 37 ASP N N 37 118.229 120.109 -1.880 1
1 432 . 18 1 1 A 38 38 ILE H H 38 7.728 7.442 0.286 1
1 433 . 18 1 1 A 38 38 ILE HA H 38 4.676 4.310 0.366 1
1 443 . 18 1 1 A 38 38 ILE C C 38 176.102 176.307 -0.205 1
1 444 . 18 1 1 A 38 38 ILE CA C 38 61.973 60.564 1.409 1
1 445 . 18 1 1 A 38 38 ILE CB C 38 38.682 37.454 1.228 1
1 449 . 18 1 1 A 38 38 ILE N N 38 112.806 111.956 0.850 1
1 450 . 18 1 1 A 39 39 GLY H H 39 7.735 7.970 -0.235 1
1 451 . 18 1 1 A 39 39 GLY HA2 H 39 4.271 4.004 0.267 1
1 452 . 18 1 1 A 39 39 GLY HA3 H 39 3.898 4.014 -0.116 1
1 453 . 18 1 1 A 39 39 GLY C C 39 174.444 174.123 0.321 1
1 454 . 18 1 1 A 39 39 GLY CA C 39 46.438 46.492 -0.054 1
1 455 . 18 1 1 A 39 39 GLY N N 39 107.120 110.785 -3.665 1
1 456 . 18 1 1 A 40 40 TYR H H 40 8.081 7.961 0.120 1
1 457 . 18 1 1 A 40 40 TYR HA H 40 4.586 4.826 -0.240 1
1 464 . 18 1 1 A 40 40 TYR C C 40 174.461 175.329 -0.868 1
1 465 . 18 1 1 A 40 40 TYR CA C 40 58.185 57.386 0.799 1
1 466 . 18 1 1 A 40 40 TYR CB C 40 40.424 40.896 -0.472 1
1 471 . 18 1 1 A 40 40 TYR N N 40 121.688 118.231 3.457 1
1 472 . 18 1 1 A 41 41 ASP H H 41 8.040 8.819 -0.779 1
1 473 . 18 1 1 A 41 41 ASP HA H 41 4.727 4.858 -0.131 1
1 476 . 18 1 1 A 41 41 ASP C C 41 175.980 177.221 -1.241 1
1 477 . 18 1 1 A 41 41 ASP CA C 41 52.812 53.985 -1.173 1
1 478 . 18 1 1 A 41 41 ASP CB C 41 42.068 41.733 0.335 1
1 479 . 18 1 1 A 41 41 ASP N N 41 124.041 124.805 -0.764 1
1 480 . 18 1 1 A 42 42 SER H H 42 8.561 9.051 -0.490 1
1 481 . 18 1 1 A 42 42 SER HA H 42 4.198 4.082 0.116 1
1 484 . 18 1 1 A 42 42 SER C C 42 176.472 176.831 -0.359 1
1 485 . 18 1 1 A 42 42 SER CA C 42 62.309 62.298 0.011 1
1 486 . 18 1 1 A 42 42 SER CB C 42 62.943 62.510 0.433 1
1 487 . 18 1 1 A 42 42 SER N N 42 114.493 118.501 -4.008 1
1 488 . 18 1 1 A 43 43 LEU H H 43 7.804 8.085 -0.281 1
1 489 . 18 1 1 A 43 43 LEU HA H 43 4.270 4.084 0.186 1
1 499 . 18 1 1 A 43 43 LEU C C 43 179.551 178.390 1.161 1
1 500 . 18 1 1 A 43 43 LEU CA C 43 58.369 57.890 0.479 1
1 501 . 18 1 1 A 43 43 LEU CB C 43 41.057 41.437 -0.380 1
1 505 . 18 1 1 A 43 43 LEU N N 43 122.459 124.584 -2.125 1
1 506 . 18 1 1 A 44 44 ALA H H 44 8.064 8.200 -0.136 1
1 507 . 18 1 1 A 44 44 ALA HA H 44 4.334 4.006 0.328 1
1 511 . 18 1 1 A 44 44 ALA C C 44 181.733 180.149 1.584 1
1 512 . 18 1 1 A 44 44 ALA CA C 44 54.987 55.281 -0.294 1
1 513 . 18 1 1 A 44 44 ALA CB C 44 18.500 18.277 0.223 1
1 514 . 18 1 1 A 44 44 ALA N N 44 123.223 120.862 2.361 1
1 515 . 18 1 1 A 45 45 LEU H H 45 8.422 8.609 -0.187 1
1 516 . 18 1 1 A 45 45 LEU HA H 45 3.907 4.167 -0.260 1
1 526 . 18 1 1 A 45 45 LEU C C 45 178.613 178.806 -0.193 1
1 527 . 18 1 1 A 45 45 LEU CA C 45 58.419 57.730 0.689 1
1 528 . 18 1 1 A 45 45 LEU CB C 45 41.643 41.575 0.068 1
1 532 . 18 1 1 A 45 45 LEU N N 45 121.714 120.237 1.477 1
1 533 . 18 1 1 A 46 46 MET H H 46 8.344 8.378 -0.034 1
1 534 . 18 1 1 A 46 46 MET HA H 46 4.259 4.092 0.167 1
1 539 . 18 1 1 A 46 46 MET C C 46 179.856 178.441 1.415 1
1 540 . 18 1 1 A 46 46 MET CA C 46 58.769 58.641 0.128 1
1 541 . 18 1 1 A 46 46 MET CB C 46 32.022 31.829 0.193 1
1 543 . 18 1 1 A 46 46 MET N N 46 119.039 116.934 2.105 1
1 544 . 18 1 1 A 47 47 GLU H H 47 8.414 7.880 0.534 1
1 545 . 18 1 1 A 47 47 GLU HA H 47 4.257 4.110 0.147 1
1 550 . 18 1 1 A 47 47 GLU C C 47 179.208 179.378 -0.170 1
1 551 . 18 1 1 A 47 47 GLU CA C 47 59.504 59.280 0.224 1
1 552 . 18 1 1 A 47 47 GLU CB C 47 29.229 29.284 -0.055 1
1 554 . 18 1 1 A 47 47 GLU N N 47 121.231 121.173 0.058 1
1 555 . 18 1 1 A 48 48 THR H H 48 8.329 7.644 0.685 1
1 556 . 18 1 1 A 48 48 THR HA H 48 3.962 3.936 0.026 1
1 561 . 18 1 1 A 48 48 THR C C 48 176.334 176.459 -0.125 1
1 562 . 18 1 1 A 48 48 THR CA C 48 67.882 66.618 1.264 1
1 563 . 18 1 1 A 48 48 THR CB C 48 68.478 68.533 -0.055 1
1 565 . 18 1 1 A 48 48 THR N N 48 118.600 117.218 1.382 1
1 566 . 18 1 1 A 49 49 ALA H H 49 8.756 8.212 0.544 1
1 567 . 18 1 1 A 49 49 ALA HA H 49 3.963 3.940 0.023 1
1 571 . 18 1 1 A 49 49 ALA C C 49 178.615 179.282 -0.667 1
1 572 . 18 1 1 A 49 49 ALA CA C 49 56.227 55.524 0.703 1
1 573 . 18 1 1 A 49 49 ALA CB C 49 17.499 17.932 -0.433 1
1 574 . 18 1 1 A 49 49 ALA N N 49 123.599 122.823 0.776 1
1 575 . 18 1 1 A 50 50 ALA H H 50 8.191 8.539 -0.348 1
1 576 . 18 1 1 A 50 50 ALA HA H 50 4.281 4.130 0.151 1
1 580 . 18 1 1 A 50 50 ALA C C 50 181.272 180.400 0.872 1
1 581 . 18 1 1 A 50 50 ALA CA C 50 55.488 55.313 0.175 1
1 582 . 18 1 1 A 50 50 ALA CB C 50 18.107 18.269 -0.162 1
1 583 . 18 1 1 A 50 50 ALA N N 50 119.558 120.277 -0.719 1
1 584 . 18 1 1 A 51 51 ARG H H 51 8.146 8.211 -0.065 1
1 585 . 18 1 1 A 51 51 ARG HA H 51 4.257 4.004 0.253 1
1 593 . 18 1 1 A 51 51 ARG C C 51 179.815 178.571 1.244 1
1 594 . 18 1 1 A 51 51 ARG CA C 51 59.591 59.127 0.464 1
1 595 . 18 1 1 A 51 51 ARG CB C 51 30.400 30.116 0.284 1
1 599 . 18 1 1 A 51 51 ARG N N 51 119.722 118.050 1.672 1
1 601 . 18 1 1 A 52 52 LEU H H 52 8.432 8.110 0.322 1
1 602 . 18 1 1 A 52 52 LEU HA H 52 4.330 4.049 0.281 1
1 612 . 18 1 1 A 52 52 LEU C C 52 179.152 179.286 -0.134 1
1 613 . 18 1 1 A 52 52 LEU CA C 52 58.139 58.124 0.015 1
1 614 . 18 1 1 A 52 52 LEU CB C 52 42.615 41.063 1.552 1
1 618 . 18 1 1 A 52 52 LEU N N 52 120.470 119.697 0.773 1
1 619 . 18 1 1 A 53 53 GLU H H 53 8.989 8.772 0.217 1
1 620 . 18 1 1 A 53 53 GLU HA H 53 4.105 3.992 0.113 1
1 625 . 18 1 1 A 53 53 GLU C C 53 179.370 178.862 0.508 1
1 626 . 18 1 1 A 53 53 GLU CA C 53 60.145 59.833 0.312 1
1 627 . 18 1 1 A 53 53 GLU CB C 53 29.184 29.309 -0.125 1
1 629 . 18 1 1 A 53 53 GLU N N 53 119.668 118.497 1.171 1
1 630 . 18 1 1 A 54 54 SER H H 54 8.028 7.984 0.044 1
1 631 . 18 1 1 A 54 54 SER HA H 54 4.392 4.160 0.232 1
1 634 . 18 1 1 A 54 54 SER C C 54 176.891 177.314 -0.423 1
1 635 . 18 1 1 A 54 54 SER CA C 54 61.162 61.413 -0.251 1
1 636 . 18 1 1 A 54 54 SER CB C 54 63.222 62.795 0.427 1
1 637 . 18 1 1 A 54 54 SER N N 54 112.842 115.212 -2.370 1
1 638 . 18 1 1 A 55 55 ARG H H 55 8.070 8.154 -0.084 1
1 639 . 18 1 1 A 55 55 ARG HA H 55 4.111 3.891 0.220 1
1 647 . 18 1 1 A 55 55 ARG C C 55 177.830 177.837 -0.007 1
1 648 . 18 1 1 A 55 55 ARG CA C 55 58.824 58.993 -0.169 1
1 649 . 18 1 1 A 55 55 ARG CB C 55 30.829 29.749 1.080 1
1 653 . 18 1 1 A 55 55 ARG N N 55 120.550 121.682 -1.132 1
1 655 . 18 1 1 A 56 56 TYR H H 56 8.171 7.906 0.265 1
1 656 . 18 1 1 A 56 56 TYR HA H 56 4.685 4.625 0.060 1
1 663 . 18 1 1 A 56 56 TYR C C 56 176.027 175.877 0.150 1
1 664 . 18 1 1 A 56 56 TYR CA C 56 59.110 57.988 1.122 1
1 665 . 18 1 1 A 56 56 TYR CB C 56 39.339 38.901 0.438 1
1 670 . 18 1 1 A 56 56 TYR N N 56 113.561 115.505 -1.944 1
1 671 . 18 1 1 A 57 57 GLY H H 57 7.998 8.695 -0.697 1
1 672 . 18 1 1 A 57 57 GLY HA2 H 57 4.105 3.993 0.112 1
1 673 . 18 1 1 A 57 57 GLY HA3 H 57 4.105 4.002 0.103 1
1 674 . 18 1 1 A 57 57 GLY C C 57 174.600 173.858 0.742 1
1 675 . 18 1 1 A 57 57 GLY CA C 57 47.349 46.931 0.418 1
1 676 . 18 1 1 A 57 57 GLY N N 57 109.470 109.958 -0.488 1
1 677 . 18 1 1 A 58 58 VAL H H 58 7.515 7.352 0.163 1
1 678 . 18 1 1 A 58 58 VAL HA H 58 4.694 4.915 -0.221 1
1 686 . 18 1 1 A 58 58 VAL C C 58 174.016 173.902 0.114 1
1 687 . 18 1 1 A 58 58 VAL CA C 58 59.282 59.185 0.097 1
1 688 . 18 1 1 A 58 58 VAL CB C 58 34.791 35.617 -0.826 1
1 691 . 18 1 1 A 58 58 VAL N N 58 112.406 119.830 -7.424 1
1 692 . 18 1 1 A 59 59 SER H H 59 8.489 8.965 -0.476 1
1 693 . 18 1 1 A 59 59 SER HA H 59 4.847 5.082 -0.235 1
1 696 . 18 1 1 A 59 59 SER C C 59 173.643 173.251 0.392 1
1 697 . 18 1 1 A 59 59 SER CA C 59 57.213 56.647 0.566 1
1 698 . 18 1 1 A 59 59 SER CB C 59 64.285 64.289 -0.004 1
1 699 . 18 1 1 A 59 59 SER N N 59 116.724 122.929 -6.205 1
1 700 . 18 1 1 A 60 60 ILE H H 60 8.224 9.345 -1.121 1
1 701 . 18 1 1 A 60 60 ILE HA H 60 4.676 4.580 0.096 1
1 711 . 18 1 1 A 60 60 ILE CA C 60 57.702 57.770 -0.068 1
1 712 . 18 1 1 A 60 60 ILE CB C 60 40.520 38.844 1.676 1
1 716 . 18 1 1 A 60 60 ILE N N 60 125.582 127.033 -1.451 1
1 717 . 18 1 1 A 61 61 PRO HA H 61 4.543 4.554 -0.011 1
1 724 . 18 1 1 A 61 61 PRO C C 61 177.547 177.593 -0.046 1
1 725 . 18 1 1 A 61 61 PRO CA C 61 63.523 63.221 0.302 1
1 726 . 18 1 1 A 61 61 PRO CB C 61 32.704 31.808 0.896 1
1 729 . 18 1 1 A 62 62 ASP H H 62 8.857 8.715 0.142 1
1 730 . 18 1 1 A 62 62 ASP HA H 62 4.447 4.278 0.169 1
1 733 . 18 1 1 A 62 62 ASP C C 62 177.504 177.768 -0.264 1
1 734 . 18 1 1 A 62 62 ASP CA C 62 57.105 57.682 -0.577 1
1 735 . 18 1 1 A 62 62 ASP CB C 62 40.668 40.540 0.128 1
1 736 . 18 1 1 A 62 62 ASP N N 62 123.624 123.457 0.167 1
1 737 . 18 1 1 A 63 63 ASP H H 63 8.691 7.860 0.831 1
1 738 . 18 1 1 A 63 63 ASP HA H 63 4.508 4.508 0.000 1
1 741 . 18 1 1 A 63 63 ASP C C 63 177.468 178.622 -1.154 1
1 742 . 18 1 1 A 63 63 ASP CA C 63 55.267 56.977 -1.710 1
1 743 . 18 1 1 A 63 63 ASP CB C 63 39.691 40.869 -1.178 1
1 744 . 18 1 1 A 63 63 ASP N N 63 116.744 119.158 -2.414 1
1 745 . 18 1 1 A 64 64 VAL H H 64 7.388 7.799 -0.411 1
1 746 . 18 1 1 A 64 64 VAL HA H 64 3.789 3.573 0.216 1
1 754 . 18 1 1 A 64 64 VAL C C 64 177.793 177.881 -0.088 1
1 755 . 18 1 1 A 64 64 VAL CA C 64 65.251 66.286 -1.035 1
1 756 . 18 1 1 A 64 64 VAL CB C 64 32.347 31.376 0.971 1
1 759 . 18 1 1 A 64 64 VAL N N 64 119.303 121.320 -2.017 1
1 760 . 18 1 1 A 65 65 ALA H H 65 8.212 8.670 -0.458 1
1 761 . 18 1 1 A 65 65 ALA HA H 65 3.967 3.967 0.000 1
1 765 . 18 1 1 A 65 65 ALA C C 65 178.005 179.821 -1.816 1
1 766 . 18 1 1 A 65 65 ALA CA C 65 55.196 55.194 0.002 1
1 767 . 18 1 1 A 65 65 ALA CB C 65 18.373 18.328 0.045 1
1 768 . 18 1 1 A 65 65 ALA N N 65 122.060 121.792 0.268 1
1 769 . 18 1 1 A 66 66 GLY H H 66 7.995 8.131 -0.136 1
1 770 . 18 1 1 A 66 66 GLY HA2 H 66 4.133 3.863 0.270 1
1 771 . 18 1 1 A 66 66 GLY HA3 H 66 3.912 3.896 0.016 1
1 772 . 18 1 1 A 66 66 GLY C C 66 174.615 174.608 0.007 1
1 773 . 18 1 1 A 66 66 GLY CA C 66 45.925 45.832 0.093 1
1 774 . 18 1 1 A 66 66 GLY N N 66 99.445 104.954 -5.509 1
1 775 . 18 1 1 A 67 67 ARG H H 67 7.478 7.584 -0.106 1
1 776 . 18 1 1 A 67 67 ARG HA H 67 4.659 4.439 0.220 1
1 784 . 18 1 1 A 67 67 ARG C C 67 176.470 175.895 0.575 1
1 785 . 18 1 1 A 67 67 ARG CA C 67 55.647 55.730 -0.083 1
1 786 . 18 1 1 A 67 67 ARG CB C 67 31.843 30.956 0.887 1
1 790 . 18 1 1 A 67 67 ARG N N 67 116.761 118.316 -1.555 1
1 792 . 18 1 1 A 68 68 VAL H H 68 7.244 6.985 0.259 1
1 793 . 18 1 1 A 68 68 VAL HA H 68 4.437 4.183 0.254 1
1 801 . 18 1 1 A 68 68 VAL C C 68 175.250 175.675 -0.425 1
1 802 . 18 1 1 A 68 68 VAL CA C 68 61.919 61.869 0.050 1
1 803 . 18 1 1 A 68 68 VAL CB C 68 33.329 32.040 1.289 1
1 806 . 18 1 1 A 68 68 VAL N N 68 114.725 117.687 -2.962 1
1 807 . 18 1 1 A 69 69 ASP H H 69 9.180 9.162 0.018 1
1 808 . 18 1 1 A 69 69 ASP HA H 69 5.272 4.858 0.414 1
1 811 . 18 1 1 A 69 69 ASP C C 69 177.035 176.120 0.915 1
1 812 . 18 1 1 A 69 69 ASP CA C 69 55.862 55.711 0.151 1
1 813 . 18 1 1 A 69 69 ASP CB C 69 44.421 42.524 1.897 1
1 814 . 18 1 1 A 69 69 ASP N N 69 120.929 125.782 -4.853 1
1 815 . 18 1 1 A 70 70 THR H H 70 7.490 8.087 -0.597 1
1 816 . 18 1 1 A 70 70 THR HA H 70 4.969 4.545 0.424 1
1 821 . 18 1 1 A 70 70 THR CA C 70 57.776 58.314 -0.538 1
1 822 . 18 1 1 A 70 70 THR CB C 70 71.416 70.031 1.385 1
1 824 . 18 1 1 A 70 70 THR N N 70 107.879 108.496 -0.617 1
1 825 . 18 1 1 A 71 71 PRO HA H 71 4.247 4.356 -0.109 1
1 832 . 18 1 1 A 71 71 PRO C C 71 177.413 177.713 -0.300 1
1 833 . 18 1 1 A 71 71 PRO CA C 71 65.812 65.197 0.615 1
1 834 . 18 1 1 A 71 71 PRO CB C 71 32.647 31.378 1.269 1
1 837 . 18 1 1 A 72 72 ARG H H 72 9.000 7.687 1.313 1
1 838 . 18 1 1 A 72 72 ARG HA H 72 3.619 3.982 -0.363 1
1 850 . 18 1 1 A 72 72 ARG C C 72 177.530 178.822 -1.292 1
1 851 . 18 1 1 A 72 72 ARG CA C 72 60.211 59.157 1.054 1
1 852 . 18 1 1 A 72 72 ARG CB C 72 30.433 29.915 0.518 1
1 856 . 18 1 1 A 72 72 ARG N N 72 117.747 118.400 -0.653 1
1 860 . 18 1 1 A 73 73 GLU H H 73 7.840 7.987 -0.147 1
1 861 . 18 1 1 A 73 73 GLU HA H 73 4.245 4.041 0.204 1
1 866 . 18 1 1 A 73 73 GLU C C 73 180.139 179.304 0.835 1
1 867 . 18 1 1 A 73 73 GLU CA C 73 59.071 58.734 0.337 1
1 868 . 18 1 1 A 73 73 GLU CB C 73 30.230 29.653 0.577 1
1 870 . 18 1 1 A 73 73 GLU N N 73 116.639 118.504 -1.865 1
1 871 . 18 1 1 A 74 74 LEU H H 74 7.693 7.697 -0.004 1
1 872 . 18 1 1 A 74 74 LEU HA H 74 4.324 4.053 0.271 1
1 882 . 18 1 1 A 74 74 LEU C C 74 177.000 178.120 -1.120 1
1 883 . 18 1 1 A 74 74 LEU CA C 74 58.123 58.110 0.013 1
1 884 . 18 1 1 A 74 74 LEU CB C 74 42.242 41.589 0.653 1
1 888 . 18 1 1 A 74 74 LEU N N 74 120.218 122.190 -1.972 1
1 889 . 18 1 1 A 75 75 LEU H H 75 8.731 8.276 0.455 1
1 890 . 18 1 1 A 75 75 LEU HA H 75 3.904 3.940 -0.036 1
1 900 . 18 1 1 A 75 75 LEU C C 75 178.122 177.943 0.179 1
1 901 . 18 1 1 A 75 75 LEU CA C 75 58.462 58.324 0.138 1
1 902 . 18 1 1 A 75 75 LEU CB C 75 42.400 41.282 1.118 1
1 906 . 18 1 1 A 75 75 LEU N N 75 121.211 119.723 1.488 1
1 907 . 18 1 1 A 76 76 ASP H H 76 8.703 8.285 0.418 1
1 908 . 18 1 1 A 76 76 ASP HA H 76 4.497 4.244 0.253 1
1 911 . 18 1 1 A 76 76 ASP C C 76 180.101 178.167 1.934 1
1 912 . 18 1 1 A 76 76 ASP CA C 76 57.325 57.706 -0.381 1
1 913 . 18 1 1 A 76 76 ASP CB C 76 39.936 41.529 -1.593 1
1 914 . 18 1 1 A 76 76 ASP N N 76 117.466 118.733 -1.267 1
1 915 . 18 1 1 A 77 77 LEU H H 77 8.019 8.296 -0.277 1
1 916 . 18 1 1 A 77 77 LEU HA H 77 4.282 4.046 0.236 1
1 926 . 18 1 1 A 77 77 LEU C C 77 179.840 178.329 1.511 1
1 927 . 18 1 1 A 77 77 LEU CA C 77 58.417 58.612 -0.195 1
1 928 . 18 1 1 A 77 77 LEU CB C 77 42.856 41.631 1.225 1
1 932 . 18 1 1 A 77 77 LEU N N 77 122.891 120.254 2.637 1
1 933 . 18 1 1 A 78 78 ILE H H 78 8.281 8.030 0.251 1
1 934 . 18 1 1 A 78 78 ILE HA H 78 3.756 3.503 0.253 1
1 944 . 18 1 1 A 78 78 ILE C C 78 177.655 178.125 -0.470 1
1 945 . 18 1 1 A 78 78 ILE CA C 78 64.638 65.108 -0.470 1
1 946 . 18 1 1 A 78 78 ILE CB C 78 37.325 37.331 -0.006 1
1 950 . 18 1 1 A 78 78 ILE N N 78 119.758 119.462 0.296 1
1 951 . 18 1 1 A 79 79 ASN H H 79 8.880 8.729 0.151 1
1 952 . 18 1 1 A 79 79 ASN HA H 79 4.918 4.440 0.478 1
1 957 . 18 1 1 A 79 79 ASN C C 79 179.481 179.135 0.346 1
1 958 . 18 1 1 A 79 79 ASN CA C 79 55.446 55.996 -0.550 1
1 959 . 18 1 1 A 79 79 ASN CB C 79 37.299 37.724 -0.425 1
1 960 . 18 1 1 A 79 79 ASN N N 79 117.848 118.479 -0.631 1
1 962 . 18 1 1 A 80 80 GLY H H 80 8.441 8.550 -0.109 1
1 963 . 18 1 1 A 80 80 GLY HA2 H 80 4.036 3.810 0.226 1
1 964 . 18 1 1 A 80 80 GLY HA3 H 80 4.036 3.812 0.224 1
1 965 . 18 1 1 A 80 80 GLY C C 80 175.746 176.376 -0.630 1
1 966 . 18 1 1 A 80 80 GLY CA C 80 47.065 46.936 0.129 1
1 967 . 18 1 1 A 80 80 GLY N N 80 110.120 108.763 1.357 1
1 968 . 18 1 1 A 81 81 ALA H H 81 7.604 8.017 -0.413 1
1 969 . 18 1 1 A 81 81 ALA HA H 81 4.467 3.964 0.503 1
1 973 . 18 1 1 A 81 81 ALA C C 81 180.565 180.322 0.243 1
1 974 . 18 1 1 A 81 81 ALA CA C 81 54.298 54.790 -0.492 1
1 975 . 18 1 1 A 81 81 ALA CB C 81 18.530 18.730 -0.200 1
1 976 . 18 1 1 A 81 81 ALA N N 81 124.070 125.041 -0.971 1
1 977 . 18 1 1 A 82 82 LEU H H 82 8.299 8.598 -0.299 1
1 978 . 18 1 1 A 82 82 LEU HA H 82 4.219 4.130 0.089 1
1 988 . 18 1 1 A 82 82 LEU C C 82 178.837 179.524 -0.687 1
1 989 . 18 1 1 A 82 82 LEU CA C 82 56.967 57.512 -0.545 1
1 990 . 18 1 1 A 82 82 LEU CB C 82 42.610 41.172 1.438 1
1 994 . 18 1 1 A 82 82 LEU N N 82 119.823 118.662 1.161 1
1 995 . 18 1 1 A 83 83 ALA H H 83 7.964 7.673 0.291 1
1 996 . 18 1 1 A 83 83 ALA HA H 83 4.298 4.001 0.297 1
1 1000 . 18 1 1 A 83 83 ALA C C 83 178.739 179.107 -0.368 1
1 1001 . 18 1 1 A 83 83 ALA CA C 83 53.965 54.945 -0.980 1
1 1002 . 18 1 1 A 83 83 ALA CB C 83 18.917 18.120 0.797 1
1 1003 . 18 1 1 A 83 83 ALA N N 83 121.306 122.294 -0.988 1
1 1004 . 18 1 1 A 84 84 GLU H H 84 7.746 7.774 -0.028 1
1 1005 . 18 1 1 A 84 84 GLU HA H 84 4.396 4.356 0.040 1
1 1010 . 18 1 1 A 84 84 GLU C C 84 176.347 177.085 -0.738 1
1 1011 . 18 1 1 A 84 84 GLU CA C 84 56.739 58.684 -1.945 1
1 1012 . 18 1 1 A 84 84 GLU CB C 84 30.126 30.607 -0.481 1
1 1014 . 18 1 1 A 84 84 GLU N N 84 117.080 116.189 0.891 1
1 1015 . 18 1 1 A 85 85 ALA H H 85 7.832 8.086 -0.254 1
1 1016 . 18 1 1 A 85 85 ALA HA H 85 4.485 4.270 0.215 1
1 1020 . 18 1 1 A 85 85 ALA C C 85 176.564 176.615 -0.051 1
1 1021 . 18 1 1 A 85 85 ALA CA C 85 52.485 52.409 0.076 1
1 1022 . 18 1 1 A 85 85 ALA CB C 85 19.529 18.845 0.684 1
1 1023 . 18 1 1 A 85 85 ALA N N 85 124.010 121.616 2.394 1
1 1 . 19 1 1 A 2 2 ALA HA H 2 4.297 4.540 -0.243 1
1 5 . 19 1 1 A 2 2 ALA C C 2 173.708 176.707 -2.999 1
1 6 . 19 1 1 A 2 2 ALA CA C 2 51.945 51.554 0.391 1
1 7 . 19 1 1 A 2 2 ALA CB C 2 19.979 20.002 -0.023 1
1 8 . 19 1 1 A 3 3 THR H H 3 8.680 7.664 1.016 1
1 9 . 19 1 1 A 3 3 THR HA H 3 4.411 4.734 -0.323 1
1 14 . 19 1 1 A 3 3 THR C C 3 172.914 174.097 -1.183 1
1 15 . 19 1 1 A 3 3 THR CA C 3 62.665 62.547 0.118 1
1 16 . 19 1 1 A 3 3 THR CB C 3 69.902 68.390 1.512 1
1 18 . 19 1 1 A 3 3 THR N N 3 117.458 115.810 1.648 1
1 19 . 19 1 1 A 4 4 LEU H H 4 8.145 8.346 -0.201 1
1 20 . 19 1 1 A 4 4 LEU HA H 4 4.384 4.628 -0.244 1
1 30 . 19 1 1 A 4 4 LEU C C 4 177.176 174.268 2.908 1
1 31 . 19 1 1 A 4 4 LEU CA C 4 54.765 54.196 0.569 1
1 32 . 19 1 1 A 4 4 LEU CB C 4 42.790 44.807 -2.017 1
1 36 . 19 1 1 A 4 4 LEU N N 4 124.380 126.406 -2.026 1
1 37 . 19 1 1 A 5 5 LEU H H 5 9.419 8.640 0.779 1
1 38 . 19 1 1 A 5 5 LEU HA H 5 4.536 5.180 -0.644 1
1 48 . 19 1 1 A 5 5 LEU C C 5 177.849 176.796 1.053 1
1 49 . 19 1 1 A 5 5 LEU CA C 5 55.488 53.153 2.335 1
1 50 . 19 1 1 A 5 5 LEU CB C 5 42.700 44.126 -1.426 1
1 54 . 19 1 1 A 5 5 LEU N N 5 124.415 125.000 -0.585 1
1 55 . 19 1 1 A 6 6 THR H H 6 8.995 8.885 0.110 1
1 56 . 19 1 1 A 6 6 THR HA H 6 4.783 4.759 0.024 1
1 61 . 19 1 1 A 6 6 THR C C 6 175.943 176.577 -0.634 1
1 62 . 19 1 1 A 6 6 THR CA C 6 59.961 59.991 -0.030 1
1 63 . 19 1 1 A 6 6 THR CB C 6 72.429 72.265 0.164 1
1 65 . 19 1 1 A 6 6 THR N N 6 114.757 116.134 -1.377 1
1 66 . 19 1 1 A 7 7 THR H H 7 8.851 9.020 -0.169 1
1 67 . 19 1 1 A 7 7 THR HA H 7 3.881 3.954 -0.073 1
1 72 . 19 1 1 A 7 7 THR C C 7 176.566 176.109 0.457 1
1 73 . 19 1 1 A 7 7 THR CA C 7 67.277 66.379 0.898 1
1 74 . 19 1 1 A 7 7 THR CB C 7 68.542 68.623 -0.081 1
1 76 . 19 1 1 A 7 7 THR N N 7 115.540 117.269 -1.729 1
1 77 . 19 1 1 A 8 8 ASP H H 8 8.279 8.292 -0.013 1
1 78 . 19 1 1 A 8 8 ASP HA H 8 4.638 4.383 0.255 1
1 81 . 19 1 1 A 8 8 ASP C C 8 178.553 178.446 0.107 1
1 82 . 19 1 1 A 8 8 ASP CA C 8 57.738 57.912 -0.174 1
1 83 . 19 1 1 A 8 8 ASP CB C 8 41.219 41.285 -0.066 1
1 84 . 19 1 1 A 8 8 ASP N N 8 119.967 121.079 -1.112 1
1 85 . 19 1 1 A 9 9 ASP H H 9 7.905 8.061 -0.156 1
1 86 . 19 1 1 A 9 9 ASP HA H 9 4.573 4.532 0.041 1
1 89 . 19 1 1 A 9 9 ASP C C 9 179.411 178.846 0.565 1
1 90 . 19 1 1 A 9 9 ASP CA C 9 57.667 57.589 0.078 1
1 91 . 19 1 1 A 9 9 ASP CB C 9 41.453 40.518 0.935 1
1 92 . 19 1 1 A 9 9 ASP N N 9 120.222 119.587 0.635 1
1 93 . 19 1 1 A 10 10 LEU H H 10 8.097 8.222 -0.125 1
1 94 . 19 1 1 A 10 10 LEU HA H 10 4.225 4.159 0.066 1
1 104 . 19 1 1 A 10 10 LEU C C 10 177.475 178.548 -1.073 1
1 105 . 19 1 1 A 10 10 LEU CA C 10 57.959 58.143 -0.184 1
1 106 . 19 1 1 A 10 10 LEU CB C 10 42.013 41.730 0.283 1
1 110 . 19 1 1 A 10 10 LEU N N 10 121.315 120.882 0.433 1
1 111 . 19 1 1 A 11 11 ARG H H 11 8.841 8.582 0.259 1
1 112 . 19 1 1 A 11 11 ARG HA H 11 3.524 3.924 -0.400 1
1 120 . 19 1 1 A 11 11 ARG C C 11 177.728 178.652 -0.924 1
1 121 . 19 1 1 A 11 11 ARG CA C 11 60.662 59.843 0.819 1
1 122 . 19 1 1 A 11 11 ARG CB C 11 30.618 29.912 0.706 1
1 126 . 19 1 1 A 11 11 ARG N N 11 119.774 119.550 0.224 1
1 128 . 19 1 1 A 12 12 ARG H H 12 7.988 7.702 0.286 1
1 129 . 19 1 1 A 12 12 ARG HA H 12 4.041 4.005 0.036 1
1 137 . 19 1 1 A 12 12 ARG C C 12 178.452 178.496 -0.044 1
1 138 . 19 1 1 A 12 12 ARG CA C 12 59.748 59.687 0.061 1
1 139 . 19 1 1 A 12 12 ARG CB C 12 30.414 30.081 0.333 1
1 143 . 19 1 1 A 12 12 ARG N N 12 115.529 119.833 -4.304 1
1 145 . 19 1 1 A 13 13 ALA H H 13 7.722 7.617 0.105 1
1 146 . 19 1 1 A 13 13 ALA HA H 13 4.412 4.136 0.276 1
1 150 . 19 1 1 A 13 13 ALA C C 13 180.069 180.106 -0.037 1
1 151 . 19 1 1 A 13 13 ALA CA C 13 54.990 55.028 -0.038 1
1 152 . 19 1 1 A 13 13 ALA CB C 13 18.654 18.170 0.484 1
1 153 . 19 1 1 A 13 13 ALA N N 13 119.900 120.395 -0.495 1
1 154 . 19 1 1 A 14 14 LEU H H 14 8.419 8.077 0.342 1
1 155 . 19 1 1 A 14 14 LEU HA H 14 4.418 3.997 0.421 1
1 165 . 19 1 1 A 14 14 LEU C C 14 180.574 179.551 1.023 1
1 166 . 19 1 1 A 14 14 LEU CA C 14 57.488 58.032 -0.544 1
1 167 . 19 1 1 A 14 14 LEU CB C 14 42.008 42.835 -0.827 1
1 171 . 19 1 1 A 14 14 LEU N N 14 119.013 117.999 1.014 1
1 172 . 19 1 1 A 15 15 VAL H H 15 8.501 8.307 0.194 1
1 173 . 19 1 1 A 15 15 VAL HA H 15 3.929 3.576 0.353 1
1 181 . 19 1 1 A 15 15 VAL C C 15 178.956 178.370 0.586 1
1 182 . 19 1 1 A 15 15 VAL CA C 15 66.056 67.284 -1.228 1
1 183 . 19 1 1 A 15 15 VAL CB C 15 32.053 31.358 0.695 1
1 186 . 19 1 1 A 15 15 VAL N N 15 120.534 117.994 2.540 1
1 187 . 19 1 1 A 16 16 GLU H H 16 8.238 8.477 -0.239 1
1 188 . 19 1 1 A 16 16 GLU HA H 16 4.216 3.993 0.223 1
1 193 . 19 1 1 A 16 16 GLU C C 16 178.530 178.881 -0.351 1
1 194 . 19 1 1 A 16 16 GLU CA C 16 58.963 59.757 -0.794 1
1 195 . 19 1 1 A 16 16 GLU CB C 16 29.866 29.756 0.110 1
1 197 . 19 1 1 A 16 16 GLU N N 16 119.771 120.145 -0.374 1
1 198 . 19 1 1 A 17 17 SER H H 17 7.808 8.255 -0.447 1
1 199 . 19 1 1 A 17 17 SER HA H 17 4.581 4.661 -0.080 1
1 202 . 19 1 1 A 17 17 SER C C 17 174.239 176.755 -2.516 1
1 203 . 19 1 1 A 17 17 SER CA C 17 59.839 59.911 -0.072 1
1 204 . 19 1 1 A 17 17 SER CB C 17 64.127 63.033 1.094 1
1 205 . 19 1 1 A 17 17 SER N N 17 113.608 114.723 -1.115 1
1 206 . 19 1 1 A 18 18 ALA H H 18 7.809 7.480 0.329 1
1 207 . 19 1 1 A 18 18 ALA HA H 18 4.358 3.917 0.441 1
1 211 . 19 1 1 A 18 18 ALA C C 18 178.239 178.294 -0.055 1
1 212 . 19 1 1 A 18 18 ALA CA C 18 52.975 52.586 0.389 1
1 213 . 19 1 1 A 18 18 ALA CB C 18 19.808 19.509 0.299 1
1 214 . 19 1 1 A 18 18 ALA N N 18 123.180 123.768 -0.588 1
1 215 . 19 1 1 A 19 19 GLY H H 19 8.241 8.091 0.150 1
1 216 . 19 1 1 A 19 19 GLY HA2 H 19 4.060 3.934 0.126 1
1 217 . 19 1 1 A 19 19 GLY HA3 H 19 4.060 3.952 0.108 1
1 218 . 19 1 1 A 19 19 GLY C C 19 174.390 174.404 -0.014 1
1 219 . 19 1 1 A 19 19 GLY CA C 19 45.570 45.543 0.027 1
1 220 . 19 1 1 A 19 19 GLY N N 19 107.414 107.419 -0.005 1
1 221 . 19 1 1 A 20 20 GLU H H 20 8.501 8.117 0.384 1
1 222 . 19 1 1 A 20 20 GLU HA H 20 4.481 4.277 0.204 1
1 227 . 19 1 1 A 20 20 GLU C C 20 176.860 176.608 0.252 1
1 228 . 19 1 1 A 20 20 GLU CA C 20 56.810 56.975 -0.165 1
1 229 . 19 1 1 A 20 20 GLU CB C 20 30.060 30.176 -0.116 1
1 231 . 19 1 1 A 20 20 GLU N N 20 120.517 121.368 -0.851 1
1 232 . 19 1 1 A 21 21 THR H H 21 8.251 8.408 -0.157 1
1 233 . 19 1 1 A 21 21 THR HA H 21 4.526 4.654 -0.128 1
1 238 . 19 1 1 A 21 21 THR C C 21 174.520 174.590 -0.070 1
1 239 . 19 1 1 A 21 21 THR CA C 21 61.836 61.228 0.608 1
1 240 . 19 1 1 A 21 21 THR CB C 21 70.007 68.945 1.062 1
1 242 . 19 1 1 A 21 21 THR N N 21 113.989 120.661 -6.672 1
1 243 . 19 1 1 A 22 22 ASP H H 22 8.497 8.206 0.291 1
1 244 . 19 1 1 A 22 22 ASP HA H 22 4.737 4.385 0.352 1
1 247 . 19 1 1 A 22 22 ASP C C 22 176.877 177.194 -0.317 1
1 248 . 19 1 1 A 22 22 ASP CA C 22 54.739 56.244 -1.505 1
1 249 . 19 1 1 A 22 22 ASP CB C 22 41.047 41.211 -0.164 1
1 250 . 19 1 1 A 22 22 ASP N N 22 122.136 121.666 0.470 1
1 251 . 19 1 1 A 23 23 GLY H H 23 8.499 7.358 1.141 1
1 252 . 19 1 1 A 23 23 GLY HA2 H 23 4.087 4.116 -0.029 1
1 253 . 19 1 1 A 23 23 GLY HA3 H 23 4.087 4.118 -0.031 1
1 254 . 19 1 1 A 23 23 GLY C C 23 174.775 173.999 0.776 1
1 255 . 19 1 1 A 23 23 GLY CA C 23 45.815 45.419 0.396 1
1 256 . 19 1 1 A 23 23 GLY N N 23 109.353 103.637 5.716 1
1 257 . 19 1 1 A 24 24 THR H H 24 8.151 8.371 -0.220 1
1 258 . 19 1 1 A 24 24 THR HA H 24 4.345 4.399 -0.054 1
1 263 . 19 1 1 A 24 24 THR C C 24 174.220 173.089 1.131 1
1 264 . 19 1 1 A 24 24 THR CA C 24 63.084 60.170 2.914 1
1 265 . 19 1 1 A 24 24 THR CB C 24 69.889 67.232 2.657 1
1 267 . 19 1 1 A 24 24 THR N N 24 115.906 116.672 -0.766 1
1 268 . 19 1 1 A 25 25 ASP H H 25 8.617 8.777 -0.160 1
1 269 . 19 1 1 A 25 25 ASP HA H 25 4.726 4.729 -0.003 1
1 272 . 19 1 1 A 25 25 ASP C C 25 176.172 176.054 0.118 1
1 273 . 19 1 1 A 25 25 ASP CA C 25 54.459 54.781 -0.322 1
1 274 . 19 1 1 A 25 25 ASP CB C 25 41.038 41.215 -0.177 1
1 275 . 19 1 1 A 25 25 ASP N N 25 123.841 129.069 -5.228 1
1 276 . 19 1 1 A 26 26 LEU H H 26 8.468 8.666 -0.198 1
1 277 . 19 1 1 A 26 26 LEU HA H 26 4.375 4.503 -0.128 1
1 287 . 19 1 1 A 26 26 LEU C C 26 176.307 175.684 0.623 1
1 288 . 19 1 1 A 26 26 LEU CA C 26 54.128 53.533 0.595 1
1 289 . 19 1 1 A 26 26 LEU CB C 26 41.100 43.020 -1.920 1
1 293 . 19 1 1 A 26 26 LEU N N 26 123.615 128.916 -5.301 1
1 294 . 19 1 1 A 27 27 SER H H 27 8.207 7.502 0.705 1
1 295 . 19 1 1 A 27 27 SER HA H 27 4.303 4.356 -0.053 1
1 298 . 19 1 1 A 27 27 SER C C 27 175.019 174.858 0.161 1
1 299 . 19 1 1 A 27 27 SER CA C 27 59.818 59.534 0.284 1
1 300 . 19 1 1 A 27 27 SER CB C 27 64.198 62.864 1.334 1
1 301 . 19 1 1 A 27 27 SER N N 27 115.102 114.204 0.898 1
1 302 . 19 1 1 A 28 28 GLY H H 28 8.581 8.661 -0.080 1
1 303 . 19 1 1 A 28 28 GLY HA2 H 28 4.244 4.122 0.122 1
1 304 . 19 1 1 A 28 28 GLY HA3 H 28 3.890 4.125 -0.235 1
1 305 . 19 1 1 A 28 28 GLY C C 28 174.264 173.734 0.530 1
1 306 . 19 1 1 A 28 28 GLY CA C 28 45.393 44.607 0.786 1
1 307 . 19 1 1 A 28 28 GLY N N 28 111.287 110.242 1.045 1
1 308 . 19 1 1 A 29 29 ASP H H 29 8.680 8.587 0.093 1
1 309 . 19 1 1 A 29 29 ASP HA H 29 4.859 4.893 -0.034 1
1 312 . 19 1 1 A 29 29 ASP C C 29 176.461 177.164 -0.703 1
1 313 . 19 1 1 A 29 29 ASP CA C 29 54.284 54.611 -0.327 1
1 314 . 19 1 1 A 29 29 ASP CB C 29 39.716 41.286 -1.570 1
1 315 . 19 1 1 A 29 29 ASP N N 29 123.263 121.543 1.720 1
1 316 . 19 1 1 A 30 30 PHE H H 30 8.064 8.496 -0.432 1
1 317 . 19 1 1 A 30 30 PHE HA H 30 4.766 4.910 -0.144 1
1 325 . 19 1 1 A 30 30 PHE C C 30 175.486 176.438 -0.952 1
1 326 . 19 1 1 A 30 30 PHE CA C 30 57.460 56.883 0.577 1
1 327 . 19 1 1 A 30 30 PHE CB C 30 40.521 39.513 1.008 1
1 333 . 19 1 1 A 30 30 PHE N N 30 122.340 118.391 3.949 1
1 334 . 19 1 1 A 31 31 LEU H H 31 7.535 7.564 -0.029 1
1 335 . 19 1 1 A 31 31 LEU HA H 31 3.309 3.682 -0.373 1
1 345 . 19 1 1 A 31 31 LEU C C 31 176.442 177.662 -1.220 1
1 346 . 19 1 1 A 31 31 LEU CA C 31 57.841 57.166 0.675 1
1 347 . 19 1 1 A 31 31 LEU CB C 31 42.121 41.413 0.708 1
1 351 . 19 1 1 A 31 31 LEU N N 31 118.974 122.088 -3.114 1
1 352 . 19 1 1 A 32 32 ASP H H 32 8.081 7.563 0.518 1
1 353 . 19 1 1 A 32 32 ASP HA H 32 5.057 4.535 0.522 1
1 356 . 19 1 1 A 32 32 ASP C C 32 176.035 176.360 -0.325 1
1 357 . 19 1 1 A 32 32 ASP CA C 32 53.745 55.708 -1.963 1
1 358 . 19 1 1 A 32 32 ASP CB C 32 41.757 41.739 0.018 1
1 359 . 19 1 1 A 32 32 ASP N N 32 111.858 117.418 -5.560 1
1 360 . 19 1 1 A 33 33 LEU H H 33 7.223 7.313 -0.090 1
1 361 . 19 1 1 A 33 33 LEU HA H 33 4.315 4.183 0.132 1
1 371 . 19 1 1 A 33 33 LEU C C 33 174.834 175.892 -1.058 1
1 372 . 19 1 1 A 33 33 LEU CA C 33 54.484 54.671 -0.187 1
1 373 . 19 1 1 A 33 33 LEU CB C 33 42.469 41.649 0.820 1
1 377 . 19 1 1 A 33 33 LEU N N 33 122.072 121.908 0.164 1
1 378 . 19 1 1 A 34 34 ARG H H 34 8.486 8.827 -0.341 1
1 379 . 19 1 1 A 34 34 ARG HA H 34 4.746 4.262 0.484 1
1 387 . 19 1 1 A 34 34 ARG C C 34 179.695 177.895 1.800 1
1 388 . 19 1 1 A 34 34 ARG CA C 34 55.460 56.146 -0.686 1
1 389 . 19 1 1 A 34 34 ARG CB C 34 29.981 30.615 -0.634 1
1 393 . 19 1 1 A 34 34 ARG N N 34 116.268 124.945 -8.677 1
1 395 . 19 1 1 A 35 35 PHE H H 35 8.453 8.131 0.322 1
1 396 . 19 1 1 A 35 35 PHE HA H 35 4.398 4.195 0.203 1
1 404 . 19 1 1 A 35 35 PHE C C 35 178.728 178.057 0.671 1
1 405 . 19 1 1 A 35 35 PHE CA C 35 62.994 60.873 2.121 1
1 406 . 19 1 1 A 35 35 PHE CB C 35 37.964 38.501 -0.537 1
1 412 . 19 1 1 A 35 35 PHE N N 35 123.273 121.989 1.284 1
1 413 . 19 1 1 A 36 36 GLU H H 36 9.540 8.694 0.846 1
1 414 . 19 1 1 A 36 36 GLU HA H 36 4.357 4.138 0.219 1
1 419 . 19 1 1 A 36 36 GLU C C 36 178.636 178.491 0.145 1
1 420 . 19 1 1 A 36 36 GLU CA C 36 59.160 59.288 -0.128 1
1 421 . 19 1 1 A 36 36 GLU CB C 36 29.610 29.219 0.391 1
1 423 . 19 1 1 A 36 36 GLU N N 36 117.074 117.341 -0.267 1
1 424 . 19 1 1 A 37 37 ASP H H 37 7.532 7.946 -0.414 1
1 425 . 19 1 1 A 37 37 ASP HA H 37 4.811 4.418 0.393 1
1 428 . 19 1 1 A 37 37 ASP C C 37 177.974 177.829 0.145 1
1 429 . 19 1 1 A 37 37 ASP CA C 37 56.496 56.615 -0.119 1
1 430 . 19 1 1 A 37 37 ASP CB C 37 41.271 41.071 0.200 1
1 431 . 19 1 1 A 37 37 ASP N N 37 118.229 120.166 -1.937 1
1 432 . 19 1 1 A 38 38 ILE H H 38 7.728 7.452 0.276 1
1 433 . 19 1 1 A 38 38 ILE HA H 38 4.676 4.288 0.388 1
1 443 . 19 1 1 A 38 38 ILE C C 38 176.102 176.249 -0.147 1
1 444 . 19 1 1 A 38 38 ILE CA C 38 61.973 60.671 1.302 1
1 445 . 19 1 1 A 38 38 ILE CB C 38 38.682 37.575 1.107 1
1 449 . 19 1 1 A 38 38 ILE N N 38 112.806 111.791 1.015 1
1 450 . 19 1 1 A 39 39 GLY H H 39 7.735 8.055 -0.320 1
1 451 . 19 1 1 A 39 39 GLY HA2 H 39 4.271 3.926 0.345 1
1 452 . 19 1 1 A 39 39 GLY HA3 H 39 3.898 3.955 -0.057 1
1 453 . 19 1 1 A 39 39 GLY C C 39 174.444 174.149 0.295 1
1 454 . 19 1 1 A 39 39 GLY CA C 39 46.438 45.922 0.516 1
1 455 . 19 1 1 A 39 39 GLY N N 39 107.120 110.518 -3.398 1
1 456 . 19 1 1 A 40 40 TYR H H 40 8.081 8.337 -0.256 1
1 457 . 19 1 1 A 40 40 TYR HA H 40 4.586 4.599 -0.013 1
1 464 . 19 1 1 A 40 40 TYR C C 40 174.461 175.438 -0.977 1
1 465 . 19 1 1 A 40 40 TYR CA C 40 58.185 58.185 0.000 1
1 466 . 19 1 1 A 40 40 TYR CB C 40 40.424 39.226 1.198 1
1 471 . 19 1 1 A 40 40 TYR N N 40 121.688 119.486 2.202 1
1 472 . 19 1 1 A 41 41 ASP H H 41 8.040 9.081 -1.041 1
1 473 . 19 1 1 A 41 41 ASP HA H 41 4.727 4.887 -0.160 1
1 476 . 19 1 1 A 41 41 ASP C C 41 175.980 177.497 -1.517 1
1 477 . 19 1 1 A 41 41 ASP CA C 41 52.812 53.795 -0.983 1
1 478 . 19 1 1 A 41 41 ASP CB C 41 42.068 41.685 0.383 1
1 479 . 19 1 1 A 41 41 ASP N N 41 124.041 125.012 -0.971 1
1 480 . 19 1 1 A 42 42 SER H H 42 8.561 9.044 -0.483 1
1 481 . 19 1 1 A 42 42 SER HA H 42 4.198 4.077 0.121 1
1 484 . 19 1 1 A 42 42 SER C C 42 176.472 176.750 -0.278 1
1 485 . 19 1 1 A 42 42 SER CA C 42 62.309 62.050 0.259 1
1 486 . 19 1 1 A 42 42 SER CB C 42 62.943 62.527 0.416 1
1 487 . 19 1 1 A 42 42 SER N N 42 114.493 118.295 -3.802 1
1 488 . 19 1 1 A 43 43 LEU H H 43 7.804 8.104 -0.300 1
1 489 . 19 1 1 A 43 43 LEU HA H 43 4.270 4.035 0.235 1
1 499 . 19 1 1 A 43 43 LEU C C 43 179.551 178.312 1.239 1
1 500 . 19 1 1 A 43 43 LEU CA C 43 58.369 58.114 0.255 1
1 501 . 19 1 1 A 43 43 LEU CB C 43 41.057 42.038 -0.981 1
1 505 . 19 1 1 A 43 43 LEU N N 43 122.459 124.591 -2.132 1
1 506 . 19 1 1 A 44 44 ALA H H 44 8.064 8.425 -0.361 1
1 507 . 19 1 1 A 44 44 ALA HA H 44 4.334 4.050 0.284 1
1 511 . 19 1 1 A 44 44 ALA C C 44 181.733 179.839 1.894 1
1 512 . 19 1 1 A 44 44 ALA CA C 44 54.987 55.158 -0.171 1
1 513 . 19 1 1 A 44 44 ALA CB C 44 18.500 18.360 0.140 1
1 514 . 19 1 1 A 44 44 ALA N N 44 123.223 120.736 2.487 1
1 515 . 19 1 1 A 45 45 LEU H H 45 8.422 8.280 0.142 1
1 516 . 19 1 1 A 45 45 LEU HA H 45 3.907 4.121 -0.214 1
1 526 . 19 1 1 A 45 45 LEU C C 45 178.613 178.947 -0.334 1
1 527 . 19 1 1 A 45 45 LEU CA C 45 58.419 57.453 0.966 1
1 528 . 19 1 1 A 45 45 LEU CB C 45 41.643 41.277 0.366 1
1 532 . 19 1 1 A 45 45 LEU N N 45 121.714 120.291 1.423 1
1 533 . 19 1 1 A 46 46 MET H H 46 8.344 8.008 0.336 1
1 534 . 19 1 1 A 46 46 MET HA H 46 4.259 4.114 0.145 1
1 539 . 19 1 1 A 46 46 MET C C 46 179.856 178.408 1.448 1
1 540 . 19 1 1 A 46 46 MET CA C 46 58.769 58.465 0.304 1
1 541 . 19 1 1 A 46 46 MET CB C 46 32.022 31.414 0.608 1
1 543 . 19 1 1 A 46 46 MET N N 46 119.039 117.071 1.968 1
1 544 . 19 1 1 A 47 47 GLU H H 47 8.414 8.051 0.363 1
1 545 . 19 1 1 A 47 47 GLU HA H 47 4.257 4.106 0.151 1
1 550 . 19 1 1 A 47 47 GLU C C 47 179.208 179.481 -0.273 1
1 551 . 19 1 1 A 47 47 GLU CA C 47 59.504 59.048 0.456 1
1 552 . 19 1 1 A 47 47 GLU CB C 47 29.229 29.293 -0.064 1
1 554 . 19 1 1 A 47 47 GLU N N 47 121.231 121.201 0.030 1
1 555 . 19 1 1 A 48 48 THR H H 48 8.329 8.037 0.292 1
1 556 . 19 1 1 A 48 48 THR HA H 48 3.962 3.929 0.033 1
1 561 . 19 1 1 A 48 48 THR C C 48 176.334 176.511 -0.177 1
1 562 . 19 1 1 A 48 48 THR CA C 48 67.882 66.573 1.309 1
1 563 . 19 1 1 A 48 48 THR CB C 48 68.478 68.615 -0.137 1
1 565 . 19 1 1 A 48 48 THR N N 48 118.600 117.030 1.570 1
1 566 . 19 1 1 A 49 49 ALA H H 49 8.756 8.134 0.622 1
1 567 . 19 1 1 A 49 49 ALA HA H 49 3.963 3.946 0.017 1
1 571 . 19 1 1 A 49 49 ALA C C 49 178.615 179.220 -0.605 1
1 572 . 19 1 1 A 49 49 ALA CA C 49 56.227 55.536 0.691 1
1 573 . 19 1 1 A 49 49 ALA CB C 49 17.499 18.015 -0.516 1
1 574 . 19 1 1 A 49 49 ALA N N 49 123.599 122.913 0.686 1
1 575 . 19 1 1 A 50 50 ALA H H 50 8.191 8.541 -0.350 1
1 576 . 19 1 1 A 50 50 ALA HA H 50 4.281 4.102 0.179 1
1 580 . 19 1 1 A 50 50 ALA C C 50 181.272 180.385 0.887 1
1 581 . 19 1 1 A 50 50 ALA CA C 50 55.488 55.219 0.269 1
1 582 . 19 1 1 A 50 50 ALA CB C 50 18.107 18.526 -0.419 1
1 583 . 19 1 1 A 50 50 ALA N N 50 119.558 120.225 -0.667 1
1 584 . 19 1 1 A 51 51 ARG H H 51 8.146 7.961 0.185 1
1 585 . 19 1 1 A 51 51 ARG HA H 51 4.257 4.012 0.245 1
1 593 . 19 1 1 A 51 51 ARG C C 51 179.815 178.577 1.238 1
1 594 . 19 1 1 A 51 51 ARG CA C 51 59.591 59.187 0.404 1
1 595 . 19 1 1 A 51 51 ARG CB C 51 30.400 29.931 0.469 1
1 599 . 19 1 1 A 51 51 ARG N N 51 119.722 118.817 0.905 1
1 601 . 19 1 1 A 52 52 LEU H H 52 8.432 8.096 0.336 1
1 602 . 19 1 1 A 52 52 LEU HA H 52 4.330 4.035 0.295 1
1 612 . 19 1 1 A 52 52 LEU C C 52 179.152 179.279 -0.127 1
1 613 . 19 1 1 A 52 52 LEU CA C 52 58.139 58.127 0.012 1
1 614 . 19 1 1 A 52 52 LEU CB C 52 42.615 41.458 1.157 1
1 618 . 19 1 1 A 52 52 LEU N N 52 120.470 119.796 0.674 1
1 619 . 19 1 1 A 53 53 GLU H H 53 8.989 8.815 0.174 1
1 620 . 19 1 1 A 53 53 GLU HA H 53 4.105 4.299 -0.194 1
1 625 . 19 1 1 A 53 53 GLU C C 53 179.370 179.023 0.347 1
1 626 . 19 1 1 A 53 53 GLU CA C 53 60.145 59.699 0.446 1
1 627 . 19 1 1 A 53 53 GLU CB C 53 29.184 29.373 -0.189 1
1 629 . 19 1 1 A 53 53 GLU N N 53 119.668 119.260 0.408 1
1 630 . 19 1 1 A 54 54 SER H H 54 8.028 7.992 0.036 1
1 631 . 19 1 1 A 54 54 SER HA H 54 4.392 4.161 0.231 1
1 634 . 19 1 1 A 54 54 SER C C 54 176.891 177.362 -0.471 1
1 635 . 19 1 1 A 54 54 SER CA C 54 61.162 61.281 -0.119 1
1 636 . 19 1 1 A 54 54 SER CB C 54 63.222 62.911 0.311 1
1 637 . 19 1 1 A 54 54 SER N N 54 112.842 115.063 -2.221 1
1 638 . 19 1 1 A 55 55 ARG H H 55 8.070 8.116 -0.046 1
1 639 . 19 1 1 A 55 55 ARG HA H 55 4.111 3.934 0.177 1
1 647 . 19 1 1 A 55 55 ARG C C 55 177.830 177.772 0.058 1
1 648 . 19 1 1 A 55 55 ARG CA C 55 58.824 58.904 -0.080 1
1 649 . 19 1 1 A 55 55 ARG CB C 55 30.829 29.843 0.986 1
1 653 . 19 1 1 A 55 55 ARG N N 55 120.550 121.884 -1.334 1
1 655 . 19 1 1 A 56 56 TYR H H 56 8.171 7.837 0.334 1
1 656 . 19 1 1 A 56 56 TYR HA H 56 4.685 4.619 0.066 1
1 663 . 19 1 1 A 56 56 TYR C C 56 176.027 175.887 0.140 1
1 664 . 19 1 1 A 56 56 TYR CA C 56 59.110 57.889 1.221 1
1 665 . 19 1 1 A 56 56 TYR CB C 56 39.339 38.702 0.637 1
1 670 . 19 1 1 A 56 56 TYR N N 56 113.561 115.644 -2.083 1
1 671 . 19 1 1 A 57 57 GLY H H 57 7.998 8.471 -0.473 1
1 672 . 19 1 1 A 57 57 GLY HA2 H 57 4.105 3.975 0.130 1
1 673 . 19 1 1 A 57 57 GLY HA3 H 57 4.105 3.986 0.119 1
1 674 . 19 1 1 A 57 57 GLY C C 57 174.600 174.184 0.416 1
1 675 . 19 1 1 A 57 57 GLY CA C 57 47.349 46.309 1.040 1
1 676 . 19 1 1 A 57 57 GLY N N 57 109.470 109.774 -0.304 1
1 677 . 19 1 1 A 58 58 VAL H H 58 7.515 7.831 -0.316 1
1 678 . 19 1 1 A 58 58 VAL HA H 58 4.694 4.455 0.239 1
1 686 . 19 1 1 A 58 58 VAL C C 58 174.016 175.038 -1.022 1
1 687 . 19 1 1 A 58 58 VAL CA C 58 59.282 60.913 -1.631 1
1 688 . 19 1 1 A 58 58 VAL CB C 58 34.791 33.133 1.658 1
1 691 . 19 1 1 A 58 58 VAL N N 58 112.406 122.018 -9.612 1
1 692 . 19 1 1 A 59 59 SER H H 59 8.489 8.780 -0.291 1
1 693 . 19 1 1 A 59 59 SER HA H 59 4.847 5.071 -0.224 1
1 696 . 19 1 1 A 59 59 SER C C 59 173.643 174.097 -0.454 1
1 697 . 19 1 1 A 59 59 SER CA C 59 57.213 57.767 -0.554 1
1 698 . 19 1 1 A 59 59 SER CB C 59 64.285 63.894 0.391 1
1 699 . 19 1 1 A 59 59 SER N N 59 116.724 124.297 -7.573 1
1 700 . 19 1 1 A 60 60 ILE H H 60 8.224 9.254 -1.030 1
1 701 . 19 1 1 A 60 60 ILE HA H 60 4.676 4.580 0.096 1
1 711 . 19 1 1 A 60 60 ILE CA C 60 57.702 57.814 -0.112 1
1 712 . 19 1 1 A 60 60 ILE CB C 60 40.520 38.709 1.811 1
1 716 . 19 1 1 A 60 60 ILE N N 60 125.582 127.690 -2.108 1
1 717 . 19 1 1 A 61 61 PRO HA H 61 4.543 4.535 0.008 1
1 724 . 19 1 1 A 61 61 PRO C C 61 177.547 177.543 0.004 1
1 725 . 19 1 1 A 61 61 PRO CA C 61 63.523 63.357 0.166 1
1 726 . 19 1 1 A 61 61 PRO CB C 61 32.704 32.070 0.634 1
1 729 . 19 1 1 A 62 62 ASP H H 62 8.857 8.688 0.169 1
1 730 . 19 1 1 A 62 62 ASP HA H 62 4.447 4.294 0.153 1
1 733 . 19 1 1 A 62 62 ASP C C 62 177.504 177.901 -0.397 1
1 734 . 19 1 1 A 62 62 ASP CA C 62 57.105 57.738 -0.633 1
1 735 . 19 1 1 A 62 62 ASP CB C 62 40.668 40.699 -0.031 1
1 736 . 19 1 1 A 62 62 ASP N N 62 123.624 123.291 0.333 1
1 737 . 19 1 1 A 63 63 ASP H H 63 8.691 7.879 0.812 1
1 738 . 19 1 1 A 63 63 ASP HA H 63 4.508 4.418 0.090 1
1 741 . 19 1 1 A 63 63 ASP C C 63 177.468 178.677 -1.209 1
1 742 . 19 1 1 A 63 63 ASP CA C 63 55.267 57.303 -2.036 1
1 743 . 19 1 1 A 63 63 ASP CB C 63 39.691 41.021 -1.330 1
1 744 . 19 1 1 A 63 63 ASP N N 63 116.744 119.795 -3.051 1
1 745 . 19 1 1 A 64 64 VAL H H 64 7.388 7.779 -0.391 1
1 746 . 19 1 1 A 64 64 VAL HA H 64 3.789 3.550 0.239 1
1 754 . 19 1 1 A 64 64 VAL C C 64 177.793 178.013 -0.220 1
1 755 . 19 1 1 A 64 64 VAL CA C 64 65.251 66.415 -1.164 1
1 756 . 19 1 1 A 64 64 VAL CB C 64 32.347 31.424 0.923 1
1 759 . 19 1 1 A 64 64 VAL N N 64 119.303 120.254 -0.951 1
1 760 . 19 1 1 A 65 65 ALA H H 65 8.212 8.230 -0.018 1
1 761 . 19 1 1 A 65 65 ALA HA H 65 3.967 4.026 -0.059 1
1 765 . 19 1 1 A 65 65 ALA C C 65 178.005 178.640 -0.635 1
1 766 . 19 1 1 A 65 65 ALA CA C 65 55.196 55.206 -0.010 1
1 767 . 19 1 1 A 65 65 ALA CB C 65 18.373 18.362 0.011 1
1 768 . 19 1 1 A 65 65 ALA N N 65 122.060 121.158 0.902 1
1 769 . 19 1 1 A 66 66 GLY H H 66 7.995 7.506 0.489 1
1 770 . 19 1 1 A 66 66 GLY HA2 H 66 4.133 3.948 0.185 1
1 771 . 19 1 1 A 66 66 GLY HA3 H 66 3.912 3.987 -0.075 1
1 772 . 19 1 1 A 66 66 GLY C C 66 174.615 174.753 -0.138 1
1 773 . 19 1 1 A 66 66 GLY CA C 66 45.925 45.504 0.421 1
1 774 . 19 1 1 A 66 66 GLY N N 66 99.445 104.803 -5.358 1
1 775 . 19 1 1 A 67 67 ARG H H 67 7.478 7.977 -0.499 1
1 776 . 19 1 1 A 67 67 ARG HA H 67 4.659 4.422 0.237 1
1 784 . 19 1 1 A 67 67 ARG C C 67 176.470 175.881 0.589 1
1 785 . 19 1 1 A 67 67 ARG CA C 67 55.647 57.490 -1.843 1
1 786 . 19 1 1 A 67 67 ARG CB C 67 31.843 30.920 0.923 1
1 790 . 19 1 1 A 67 67 ARG N N 67 116.761 119.636 -2.875 1
1 792 . 19 1 1 A 68 68 VAL H H 68 7.244 7.428 -0.184 1
1 793 . 19 1 1 A 68 68 VAL HA H 68 4.437 4.170 0.267 1
1 801 . 19 1 1 A 68 68 VAL C C 68 175.250 175.564 -0.314 1
1 802 . 19 1 1 A 68 68 VAL CA C 68 61.919 61.991 -0.072 1
1 803 . 19 1 1 A 68 68 VAL CB C 68 33.329 32.663 0.666 1
1 806 . 19 1 1 A 68 68 VAL N N 68 114.725 117.193 -2.468 1
1 807 . 19 1 1 A 69 69 ASP H H 69 9.180 8.787 0.393 1
1 808 . 19 1 1 A 69 69 ASP HA H 69 5.272 4.831 0.441 1
1 811 . 19 1 1 A 69 69 ASP C C 69 177.035 176.199 0.836 1
1 812 . 19 1 1 A 69 69 ASP CA C 69 55.862 56.785 -0.923 1
1 813 . 19 1 1 A 69 69 ASP CB C 69 44.421 42.697 1.724 1
1 814 . 19 1 1 A 69 69 ASP N N 69 120.929 125.385 -4.456 1
1 815 . 19 1 1 A 70 70 THR H H 70 7.490 7.723 -0.233 1
1 816 . 19 1 1 A 70 70 THR HA H 70 4.969 4.281 0.688 1
1 821 . 19 1 1 A 70 70 THR CA C 70 57.776 58.411 -0.635 1
1 822 . 19 1 1 A 70 70 THR CB C 70 71.416 70.210 1.206 1
1 824 . 19 1 1 A 70 70 THR N N 70 107.879 111.305 -3.426 1
1 825 . 19 1 1 A 71 71 PRO HA H 71 4.247 4.347 -0.100 1
1 832 . 19 1 1 A 71 71 PRO C C 71 177.413 178.140 -0.727 1
1 833 . 19 1 1 A 71 71 PRO CA C 71 65.812 65.528 0.284 1
1 834 . 19 1 1 A 71 71 PRO CB C 71 32.647 31.329 1.318 1
1 837 . 19 1 1 A 72 72 ARG H H 72 9.000 8.755 0.245 1
1 838 . 19 1 1 A 72 72 ARG HA H 72 3.619 3.977 -0.358 1
1 850 . 19 1 1 A 72 72 ARG C C 72 177.530 178.685 -1.155 1
1 851 . 19 1 1 A 72 72 ARG CA C 72 60.211 58.970 1.241 1
1 852 . 19 1 1 A 72 72 ARG CB C 72 30.433 29.774 0.659 1
1 856 . 19 1 1 A 72 72 ARG N N 72 117.747 116.770 0.977 1
1 860 . 19 1 1 A 73 73 GLU H H 73 7.840 7.877 -0.037 1
1 861 . 19 1 1 A 73 73 GLU HA H 73 4.245 4.045 0.200 1
1 866 . 19 1 1 A 73 73 GLU C C 73 180.139 179.145 0.994 1
1 867 . 19 1 1 A 73 73 GLU CA C 73 59.071 58.726 0.345 1
1 868 . 19 1 1 A 73 73 GLU CB C 73 30.230 29.382 0.848 1
1 870 . 19 1 1 A 73 73 GLU N N 73 116.639 118.891 -2.252 1
1 871 . 19 1 1 A 74 74 LEU H H 74 7.693 7.679 0.014 1
1 872 . 19 1 1 A 74 74 LEU HA H 74 4.324 4.062 0.262 1
1 882 . 19 1 1 A 74 74 LEU C C 74 177.000 178.240 -1.240 1
1 883 . 19 1 1 A 74 74 LEU CA C 74 58.123 58.115 0.008 1
1 884 . 19 1 1 A 74 74 LEU CB C 74 42.242 41.746 0.496 1
1 888 . 19 1 1 A 74 74 LEU N N 74 120.218 121.934 -1.716 1
1 889 . 19 1 1 A 75 75 LEU H H 75 8.731 8.494 0.237 1
1 890 . 19 1 1 A 75 75 LEU HA H 75 3.904 3.961 -0.057 1
1 900 . 19 1 1 A 75 75 LEU C C 75 178.122 177.994 0.128 1
1 901 . 19 1 1 A 75 75 LEU CA C 75 58.462 57.851 0.611 1
1 902 . 19 1 1 A 75 75 LEU CB C 75 42.400 39.986 2.414 1
1 906 . 19 1 1 A 75 75 LEU N N 75 121.211 119.718 1.493 1
1 907 . 19 1 1 A 76 76 ASP H H 76 8.703 8.276 0.427 1
1 908 . 19 1 1 A 76 76 ASP HA H 76 4.497 4.297 0.200 1
1 911 . 19 1 1 A 76 76 ASP C C 76 180.101 178.304 1.797 1
1 912 . 19 1 1 A 76 76 ASP CA C 76 57.325 57.812 -0.487 1
1 913 . 19 1 1 A 76 76 ASP CB C 76 39.936 41.064 -1.128 1
1 914 . 19 1 1 A 76 76 ASP N N 76 117.466 118.770 -1.304 1
1 915 . 19 1 1 A 77 77 LEU H H 77 8.019 7.908 0.111 1
1 916 . 19 1 1 A 77 77 LEU HA H 77 4.282 4.039 0.243 1
1 926 . 19 1 1 A 77 77 LEU C C 77 179.840 178.550 1.290 1
1 927 . 19 1 1 A 77 77 LEU CA C 77 58.417 58.501 -0.084 1
1 928 . 19 1 1 A 77 77 LEU CB C 77 42.856 41.592 1.264 1
1 932 . 19 1 1 A 77 77 LEU N N 77 122.891 120.305 2.586 1
1 933 . 19 1 1 A 78 78 ILE H H 78 8.281 8.246 0.035 1
1 934 . 19 1 1 A 78 78 ILE HA H 78 3.756 3.615 0.141 1
1 944 . 19 1 1 A 78 78 ILE C C 78 177.655 178.245 -0.590 1
1 945 . 19 1 1 A 78 78 ILE CA C 78 64.638 64.770 -0.132 1
1 946 . 19 1 1 A 78 78 ILE CB C 78 37.325 36.671 0.654 1
1 950 . 19 1 1 A 78 78 ILE N N 78 119.758 119.349 0.409 1
1 951 . 19 1 1 A 79 79 ASN H H 79 8.880 8.911 -0.031 1
1 952 . 19 1 1 A 79 79 ASN HA H 79 4.918 4.383 0.535 1
1 957 . 19 1 1 A 79 79 ASN C C 79 179.481 179.149 0.332 1
1 958 . 19 1 1 A 79 79 ASN CA C 79 55.446 56.273 -0.827 1
1 959 . 19 1 1 A 79 79 ASN CB C 79 37.299 37.639 -0.340 1
1 960 . 19 1 1 A 79 79 ASN N N 79 117.848 119.294 -1.446 1
1 962 . 19 1 1 A 80 80 GLY H H 80 8.441 8.495 -0.054 1
1 963 . 19 1 1 A 80 80 GLY HA2 H 80 4.036 3.798 0.238 1
1 964 . 19 1 1 A 80 80 GLY HA3 H 80 4.036 3.802 0.234 1
1 965 . 19 1 1 A 80 80 GLY C C 80 175.746 176.156 -0.410 1
1 966 . 19 1 1 A 80 80 GLY CA C 80 47.065 47.146 -0.081 1
1 967 . 19 1 1 A 80 80 GLY N N 80 110.120 108.900 1.220 1
1 968 . 19 1 1 A 81 81 ALA H H 81 7.604 7.777 -0.173 1
1 969 . 19 1 1 A 81 81 ALA HA H 81 4.467 3.994 0.473 1
1 973 . 19 1 1 A 81 81 ALA C C 81 180.565 180.039 0.526 1
1 974 . 19 1 1 A 81 81 ALA CA C 81 54.298 54.470 -0.172 1
1 975 . 19 1 1 A 81 81 ALA CB C 81 18.530 18.367 0.163 1
1 976 . 19 1 1 A 81 81 ALA N N 81 124.070 125.480 -1.410 1
1 977 . 19 1 1 A 82 82 LEU H H 82 8.299 8.241 0.058 1
1 978 . 19 1 1 A 82 82 LEU HA H 82 4.219 4.000 0.219 1
1 988 . 19 1 1 A 82 82 LEU C C 82 178.837 179.138 -0.301 1
1 989 . 19 1 1 A 82 82 LEU CA C 82 56.967 58.054 -1.087 1
1 990 . 19 1 1 A 82 82 LEU CB C 82 42.610 40.788 1.822 1
1 994 . 19 1 1 A 82 82 LEU N N 82 119.823 119.761 0.062 1
1 995 . 19 1 1 A 83 83 ALA H H 83 7.964 8.435 -0.471 1
1 996 . 19 1 1 A 83 83 ALA HA H 83 4.298 3.971 0.327 1
1 1000 . 19 1 1 A 83 83 ALA C C 83 178.739 179.067 -0.328 1
1 1001 . 19 1 1 A 83 83 ALA CA C 83 53.965 54.942 -0.977 1
1 1002 . 19 1 1 A 83 83 ALA CB C 83 18.917 18.224 0.693 1
1 1003 . 19 1 1 A 83 83 ALA N N 83 121.306 122.439 -1.133 1
1 1004 . 19 1 1 A 84 84 GLU H H 84 7.746 7.809 -0.063 1
1 1005 . 19 1 1 A 84 84 GLU HA H 84 4.396 4.366 0.030 1
1 1010 . 19 1 1 A 84 84 GLU C C 84 176.347 176.485 -0.138 1
1 1011 . 19 1 1 A 84 84 GLU CA C 84 56.739 56.986 -0.247 1
1 1012 . 19 1 1 A 84 84 GLU CB C 84 30.126 30.130 -0.004 1
1 1014 . 19 1 1 A 84 84 GLU N N 84 117.080 115.128 1.952 1
1 1015 . 19 1 1 A 85 85 ALA H H 85 7.832 7.422 0.410 1
1 1016 . 19 1 1 A 85 85 ALA HA H 85 4.485 4.387 0.098 1
1 1020 . 19 1 1 A 85 85 ALA C C 85 176.564 176.039 0.525 1
1 1021 . 19 1 1 A 85 85 ALA CA C 85 52.485 51.385 1.100 1
1 1022 . 19 1 1 A 85 85 ALA CB C 85 19.529 18.431 1.098 1
1 1023 . 19 1 1 A 85 85 ALA N N 85 124.010 124.086 -0.076 1
1 1 . 20 1 1 A 2 2 ALA HA H 2 4.297 3.968 0.329 1
1 5 . 20 1 1 A 2 2 ALA C C 2 173.708 176.221 -2.513 1
1 6 . 20 1 1 A 2 2 ALA CA C 2 51.945 53.235 -1.290 1
1 7 . 20 1 1 A 2 2 ALA CB C 2 19.979 17.138 2.841 1
1 8 . 20 1 1 A 3 3 THR H H 3 8.680 7.993 0.687 1
1 9 . 20 1 1 A 3 3 THR HA H 3 4.411 4.551 -0.140 1
1 14 . 20 1 1 A 3 3 THR C C 3 172.914 173.494 -0.580 1
1 15 . 20 1 1 A 3 3 THR CA C 3 62.665 61.004 1.661 1
1 16 . 20 1 1 A 3 3 THR CB C 3 69.902 69.050 0.852 1
1 18 . 20 1 1 A 3 3 THR N N 3 117.458 111.180 6.278 1
1 19 . 20 1 1 A 4 4 LEU H H 4 8.145 8.687 -0.542 1
1 20 . 20 1 1 A 4 4 LEU HA H 4 4.384 4.298 0.086 1
1 30 . 20 1 1 A 4 4 LEU C C 4 177.176 175.910 1.266 1
1 31 . 20 1 1 A 4 4 LEU CA C 4 54.765 55.595 -0.830 1
1 32 . 20 1 1 A 4 4 LEU CB C 4 42.790 42.994 -0.204 1
1 36 . 20 1 1 A 4 4 LEU N N 4 124.380 130.712 -6.332 1
1 37 . 20 1 1 A 5 5 LEU H H 5 9.419 8.332 1.087 1
1 38 . 20 1 1 A 5 5 LEU HA H 5 4.536 4.938 -0.402 1
1 48 . 20 1 1 A 5 5 LEU C C 5 177.849 176.720 1.129 1
1 49 . 20 1 1 A 5 5 LEU CA C 5 55.488 53.222 2.266 1
1 50 . 20 1 1 A 5 5 LEU CB C 5 42.700 43.088 -0.388 1
1 54 . 20 1 1 A 5 5 LEU N N 5 124.415 126.714 -2.299 1
1 55 . 20 1 1 A 6 6 THR H H 6 8.995 9.151 -0.156 1
1 56 . 20 1 1 A 6 6 THR HA H 6 4.783 4.794 -0.011 1
1 61 . 20 1 1 A 6 6 THR C C 6 175.943 176.286 -0.343 1
1 62 . 20 1 1 A 6 6 THR CA C 6 59.961 59.883 0.078 1
1 63 . 20 1 1 A 6 6 THR CB C 6 72.429 71.295 1.134 1
1 65 . 20 1 1 A 6 6 THR N N 6 114.757 115.474 -0.717 1
1 66 . 20 1 1 A 7 7 THR H H 7 8.851 8.938 -0.087 1
1 67 . 20 1 1 A 7 7 THR HA H 7 3.881 3.895 -0.014 1
1 72 . 20 1 1 A 7 7 THR C C 7 176.566 176.013 0.553 1
1 73 . 20 1 1 A 7 7 THR CA C 7 67.277 66.981 0.296 1
1 74 . 20 1 1 A 7 7 THR CB C 7 68.542 68.463 0.079 1
1 76 . 20 1 1 A 7 7 THR N N 7 115.540 117.240 -1.700 1
1 77 . 20 1 1 A 8 8 ASP H H 8 8.279 8.169 0.110 1
1 78 . 20 1 1 A 8 8 ASP HA H 8 4.638 4.463 0.175 1
1 81 . 20 1 1 A 8 8 ASP C C 8 178.553 179.074 -0.521 1
1 82 . 20 1 1 A 8 8 ASP CA C 8 57.738 57.604 0.134 1
1 83 . 20 1 1 A 8 8 ASP CB C 8 41.219 40.280 0.939 1
1 84 . 20 1 1 A 8 8 ASP N N 8 119.967 120.494 -0.527 1
1 85 . 20 1 1 A 9 9 ASP H H 9 7.905 7.604 0.301 1
1 86 . 20 1 1 A 9 9 ASP HA H 9 4.573 4.516 0.057 1
1 89 . 20 1 1 A 9 9 ASP C C 9 179.411 178.823 0.588 1
1 90 . 20 1 1 A 9 9 ASP CA C 9 57.667 57.493 0.174 1
1 91 . 20 1 1 A 9 9 ASP CB C 9 41.453 40.556 0.897 1
1 92 . 20 1 1 A 9 9 ASP N N 9 120.222 120.167 0.055 1
1 93 . 20 1 1 A 10 10 LEU H H 10 8.097 8.083 0.014 1
1 94 . 20 1 1 A 10 10 LEU HA H 10 4.225 4.110 0.115 1
1 104 . 20 1 1 A 10 10 LEU C C 10 177.475 178.543 -1.068 1
1 105 . 20 1 1 A 10 10 LEU CA C 10 57.959 58.095 -0.136 1
1 106 . 20 1 1 A 10 10 LEU CB C 10 42.013 41.475 0.538 1
1 110 . 20 1 1 A 10 10 LEU N N 10 121.315 120.663 0.652 1
1 111 . 20 1 1 A 11 11 ARG H H 11 8.841 8.431 0.410 1
1 112 . 20 1 1 A 11 11 ARG HA H 11 3.524 4.072 -0.548 1
1 120 . 20 1 1 A 11 11 ARG C C 11 177.728 178.630 -0.902 1
1 121 . 20 1 1 A 11 11 ARG CA C 11 60.662 59.759 0.903 1
1 122 . 20 1 1 A 11 11 ARG CB C 11 30.618 29.963 0.655 1
1 126 . 20 1 1 A 11 11 ARG N N 11 119.774 119.623 0.151 1
1 128 . 20 1 1 A 12 12 ARG H H 12 7.988 8.035 -0.047 1
1 129 . 20 1 1 A 12 12 ARG HA H 12 4.041 4.058 -0.017 1
1 137 . 20 1 1 A 12 12 ARG C C 12 178.452 178.218 0.234 1
1 138 . 20 1 1 A 12 12 ARG CA C 12 59.748 59.404 0.344 1
1 139 . 20 1 1 A 12 12 ARG CB C 12 30.414 30.245 0.169 1
1 143 . 20 1 1 A 12 12 ARG N N 12 115.529 119.857 -4.328 1
1 145 . 20 1 1 A 13 13 ALA H H 13 7.722 7.656 0.066 1
1 146 . 20 1 1 A 13 13 ALA HA H 13 4.412 4.160 0.252 1
1 150 . 20 1 1 A 13 13 ALA C C 13 180.069 179.996 0.073 1
1 151 . 20 1 1 A 13 13 ALA CA C 13 54.990 55.037 -0.047 1
1 152 . 20 1 1 A 13 13 ALA CB C 13 18.654 18.148 0.506 1
1 153 . 20 1 1 A 13 13 ALA N N 13 119.900 121.903 -2.003 1
1 154 . 20 1 1 A 14 14 LEU H H 14 8.419 7.742 0.677 1
1 155 . 20 1 1 A 14 14 LEU HA H 14 4.418 3.855 0.563 1
1 165 . 20 1 1 A 14 14 LEU C C 14 180.574 179.207 1.367 1
1 166 . 20 1 1 A 14 14 LEU CA C 14 57.488 57.908 -0.420 1
1 167 . 20 1 1 A 14 14 LEU CB C 14 42.008 41.515 0.493 1
1 171 . 20 1 1 A 14 14 LEU N N 14 119.013 118.200 0.813 1
1 172 . 20 1 1 A 15 15 VAL H H 15 8.501 8.356 0.145 1
1 173 . 20 1 1 A 15 15 VAL HA H 15 3.929 3.559 0.370 1
1 181 . 20 1 1 A 15 15 VAL C C 15 178.956 177.888 1.068 1
1 182 . 20 1 1 A 15 15 VAL CA C 15 66.056 66.827 -0.771 1
1 183 . 20 1 1 A 15 15 VAL CB C 15 32.053 31.586 0.467 1
1 186 . 20 1 1 A 15 15 VAL N N 15 120.534 119.809 0.725 1
1 187 . 20 1 1 A 16 16 GLU H H 16 8.238 8.853 -0.615 1
1 188 . 20 1 1 A 16 16 GLU HA H 16 4.216 3.917 0.299 1
1 193 . 20 1 1 A 16 16 GLU C C 16 178.530 178.910 -0.380 1
1 194 . 20 1 1 A 16 16 GLU CA C 16 58.963 59.706 -0.743 1
1 195 . 20 1 1 A 16 16 GLU CB C 16 29.866 29.275 0.591 1
1 197 . 20 1 1 A 16 16 GLU N N 16 119.771 119.521 0.250 1
1 198 . 20 1 1 A 17 17 SER H H 17 7.808 8.516 -0.708 1
1 199 . 20 1 1 A 17 17 SER HA H 17 4.581 4.359 0.222 1
1 202 . 20 1 1 A 17 17 SER C C 17 174.239 177.293 -3.054 1
1 203 . 20 1 1 A 17 17 SER CA C 17 59.839 60.538 -0.699 1
1 204 . 20 1 1 A 17 17 SER CB C 17 64.127 62.827 1.300 1
1 205 . 20 1 1 A 17 17 SER N N 17 113.608 114.722 -1.114 1
1 206 . 20 1 1 A 18 18 ALA H H 18 7.809 7.587 0.222 1
1 207 . 20 1 1 A 18 18 ALA HA H 18 4.358 4.238 0.120 1
1 211 . 20 1 1 A 18 18 ALA C C 18 178.239 178.283 -0.044 1
1 212 . 20 1 1 A 18 18 ALA CA C 18 52.975 53.790 -0.815 1
1 213 . 20 1 1 A 18 18 ALA CB C 18 19.808 19.546 0.262 1
1 214 . 20 1 1 A 18 18 ALA N N 18 123.180 123.191 -0.011 1
1 215 . 20 1 1 A 19 19 GLY H H 19 8.241 8.561 -0.320 1
1 216 . 20 1 1 A 19 19 GLY HA2 H 19 4.060 3.927 0.133 1
1 217 . 20 1 1 A 19 19 GLY HA3 H 19 4.060 3.929 0.131 1
1 218 . 20 1 1 A 19 19 GLY C C 19 174.390 173.823 0.567 1
1 219 . 20 1 1 A 19 19 GLY CA C 19 45.570 46.691 -1.121 1
1 220 . 20 1 1 A 19 19 GLY N N 19 107.414 106.348 1.066 1
1 221 . 20 1 1 A 20 20 GLU H H 20 8.501 7.871 0.630 1
1 222 . 20 1 1 A 20 20 GLU HA H 20 4.481 4.876 -0.395 1
1 227 . 20 1 1 A 20 20 GLU C C 20 176.860 176.374 0.486 1
1 228 . 20 1 1 A 20 20 GLU CA C 20 56.810 54.402 2.408 1
1 229 . 20 1 1 A 20 20 GLU CB C 20 30.060 33.074 -3.014 1
1 231 . 20 1 1 A 20 20 GLU N N 20 120.517 115.857 4.660 1
1 232 . 20 1 1 A 21 21 THR H H 21 8.251 8.515 -0.264 1
1 233 . 20 1 1 A 21 21 THR HA H 21 4.526 4.532 -0.006 1
1 238 . 20 1 1 A 21 21 THR C C 21 174.520 173.310 1.210 1
1 239 . 20 1 1 A 21 21 THR CA C 21 61.836 61.647 0.189 1
1 240 . 20 1 1 A 21 21 THR CB C 21 70.007 68.175 1.832 1
1 242 . 20 1 1 A 21 21 THR N N 21 113.989 115.374 -1.385 1
1 243 . 20 1 1 A 22 22 ASP H H 22 8.497 7.629 0.868 1
1 244 . 20 1 1 A 22 22 ASP HA H 22 4.737 5.070 -0.333 1
1 247 . 20 1 1 A 22 22 ASP C C 22 176.877 174.379 2.498 1
1 248 . 20 1 1 A 22 22 ASP CA C 22 54.739 53.021 1.718 1
1 249 . 20 1 1 A 22 22 ASP CB C 22 41.047 44.712 -3.665 1
1 250 . 20 1 1 A 22 22 ASP N N 22 122.136 122.134 0.002 1
1 251 . 20 1 1 A 23 23 GLY H H 23 8.499 9.152 -0.653 1
1 252 . 20 1 1 A 23 23 GLY HA2 H 23 4.087 4.028 0.059 1
1 253 . 20 1 1 A 23 23 GLY HA3 H 23 4.087 4.028 0.059 1
1 254 . 20 1 1 A 23 23 GLY C C 23 174.775 173.896 0.879 1
1 255 . 20 1 1 A 23 23 GLY CA C 23 45.815 46.276 -0.461 1
1 256 . 20 1 1 A 23 23 GLY N N 23 109.353 113.362 -4.009 1
1 257 . 20 1 1 A 24 24 THR H H 24 8.151 8.156 -0.005 1
1 258 . 20 1 1 A 24 24 THR HA H 24 4.345 4.398 -0.053 1
1 263 . 20 1 1 A 24 24 THR C C 24 174.220 174.220 0.000 1
1 264 . 20 1 1 A 24 24 THR CA C 24 63.084 61.940 1.144 1
1 265 . 20 1 1 A 24 24 THR CB C 24 69.889 69.684 0.205 1
1 267 . 20 1 1 A 24 24 THR N N 24 115.906 120.367 -4.461 1
1 268 . 20 1 1 A 25 25 ASP H H 25 8.617 8.579 0.038 1
1 269 . 20 1 1 A 25 25 ASP HA H 25 4.726 4.634 0.092 1
1 272 . 20 1 1 A 25 25 ASP C C 25 176.172 176.022 0.150 1
1 273 . 20 1 1 A 25 25 ASP CA C 25 54.459 53.679 0.780 1
1 274 . 20 1 1 A 25 25 ASP CB C 25 41.038 38.732 2.306 1
1 275 . 20 1 1 A 25 25 ASP N N 25 123.841 125.294 -1.453 1
1 276 . 20 1 1 A 26 26 LEU H H 26 8.468 8.264 0.204 1
1 277 . 20 1 1 A 26 26 LEU HA H 26 4.375 4.321 0.054 1
1 287 . 20 1 1 A 26 26 LEU C C 26 176.307 176.201 0.106 1
1 288 . 20 1 1 A 26 26 LEU CA C 26 54.128 54.013 0.115 1
1 289 . 20 1 1 A 26 26 LEU CB C 26 41.100 42.818 -1.718 1
1 293 . 20 1 1 A 26 26 LEU N N 26 123.615 125.170 -1.555 1
1 294 . 20 1 1 A 27 27 SER H H 27 8.207 7.630 0.577 1
1 295 . 20 1 1 A 27 27 SER HA H 27 4.303 4.275 0.028 1
1 298 . 20 1 1 A 27 27 SER C C 27 175.019 175.684 -0.665 1
1 299 . 20 1 1 A 27 27 SER CA C 27 59.818 60.390 -0.572 1
1 300 . 20 1 1 A 27 27 SER CB C 27 64.198 63.126 1.072 1
1 301 . 20 1 1 A 27 27 SER N N 27 115.102 116.156 -1.054 1
1 302 . 20 1 1 A 28 28 GLY H H 28 8.581 8.795 -0.214 1
1 303 . 20 1 1 A 28 28 GLY HA2 H 28 4.244 3.877 0.367 1
1 304 . 20 1 1 A 28 28 GLY HA3 H 28 3.890 3.879 0.011 1
1 305 . 20 1 1 A 28 28 GLY C C 28 174.264 173.516 0.748 1
1 306 . 20 1 1 A 28 28 GLY CA C 28 45.393 47.329 -1.936 1
1 307 . 20 1 1 A 28 28 GLY N N 28 111.287 112.453 -1.166 1
1 308 . 20 1 1 A 29 29 ASP H H 29 8.680 8.406 0.274 1
1 309 . 20 1 1 A 29 29 ASP HA H 29 4.859 5.481 -0.622 1
1 312 . 20 1 1 A 29 29 ASP C C 29 176.461 175.858 0.603 1
1 313 . 20 1 1 A 29 29 ASP CA C 29 54.284 52.807 1.477 1
1 314 . 20 1 1 A 29 29 ASP CB C 29 39.716 42.619 -2.903 1
1 315 . 20 1 1 A 29 29 ASP N N 29 123.263 123.309 -0.046 1
1 316 . 20 1 1 A 30 30 PHE H H 30 8.064 8.481 -0.417 1
1 317 . 20 1 1 A 30 30 PHE HA H 30 4.766 4.876 -0.110 1
1 325 . 20 1 1 A 30 30 PHE C C 30 175.486 176.581 -1.095 1
1 326 . 20 1 1 A 30 30 PHE CA C 30 57.460 57.050 0.410 1
1 327 . 20 1 1 A 30 30 PHE CB C 30 40.521 39.346 1.175 1
1 333 . 20 1 1 A 30 30 PHE N N 30 122.340 118.752 3.588 1
1 334 . 20 1 1 A 31 31 LEU H H 31 7.535 7.538 -0.003 1
1 335 . 20 1 1 A 31 31 LEU HA H 31 3.309 3.646 -0.337 1
1 345 . 20 1 1 A 31 31 LEU C C 31 176.442 177.686 -1.244 1
1 346 . 20 1 1 A 31 31 LEU CA C 31 57.841 57.589 0.252 1
1 347 . 20 1 1 A 31 31 LEU CB C 31 42.121 41.539 0.582 1
1 351 . 20 1 1 A 31 31 LEU N N 31 118.974 122.089 -3.115 1
1 352 . 20 1 1 A 32 32 ASP H H 32 8.081 8.230 -0.149 1
1 353 . 20 1 1 A 32 32 ASP HA H 32 5.057 4.591 0.466 1
1 356 . 20 1 1 A 32 32 ASP C C 32 176.035 176.032 0.003 1
1 357 . 20 1 1 A 32 32 ASP CA C 32 53.745 53.256 0.489 1
1 358 . 20 1 1 A 32 32 ASP CB C 32 41.757 40.070 1.687 1
1 359 . 20 1 1 A 32 32 ASP N N 32 111.858 114.886 -3.028 1
1 360 . 20 1 1 A 33 33 LEU H H 33 7.223 7.359 -0.136 1
1 361 . 20 1 1 A 33 33 LEU HA H 33 4.315 4.251 0.064 1
1 371 . 20 1 1 A 33 33 LEU C C 33 174.834 176.475 -1.641 1
1 372 . 20 1 1 A 33 33 LEU CA C 33 54.484 54.618 -0.134 1
1 373 . 20 1 1 A 33 33 LEU CB C 33 42.469 42.489 -0.020 1
1 377 . 20 1 1 A 33 33 LEU N N 33 122.072 122.466 -0.394 1
1 378 . 20 1 1 A 34 34 ARG H H 34 8.486 8.819 -0.333 1
1 379 . 20 1 1 A 34 34 ARG HA H 34 4.746 4.371 0.375 1
1 387 . 20 1 1 A 34 34 ARG C C 34 179.695 177.779 1.916 1
1 388 . 20 1 1 A 34 34 ARG CA C 34 55.460 56.258 -0.798 1
1 389 . 20 1 1 A 34 34 ARG CB C 34 29.981 30.523 -0.542 1
1 393 . 20 1 1 A 34 34 ARG N N 34 116.268 123.591 -7.323 1
1 395 . 20 1 1 A 35 35 PHE H H 35 8.453 8.472 -0.019 1
1 396 . 20 1 1 A 35 35 PHE HA H 35 4.398 4.286 0.112 1
1 404 . 20 1 1 A 35 35 PHE C C 35 178.728 178.178 0.550 1
1 405 . 20 1 1 A 35 35 PHE CA C 35 62.994 61.195 1.799 1
1 406 . 20 1 1 A 35 35 PHE CB C 35 37.964 38.560 -0.596 1
1 412 . 20 1 1 A 35 35 PHE N N 35 123.273 122.106 1.167 1
1 413 . 20 1 1 A 36 36 GLU H H 36 9.540 8.542 0.998 1
1 414 . 20 1 1 A 36 36 GLU HA H 36 4.357 4.025 0.332 1
1 419 . 20 1 1 A 36 36 GLU C C 36 178.636 178.635 0.001 1
1 420 . 20 1 1 A 36 36 GLU CA C 36 59.160 60.353 -1.193 1
1 421 . 20 1 1 A 36 36 GLU CB C 36 29.610 29.161 0.449 1
1 423 . 20 1 1 A 36 36 GLU N N 36 117.074 118.747 -1.673 1
1 424 . 20 1 1 A 37 37 ASP H H 37 7.532 7.893 -0.361 1
1 425 . 20 1 1 A 37 37 ASP HA H 37 4.811 4.412 0.399 1
1 428 . 20 1 1 A 37 37 ASP C C 37 177.974 177.827 0.147 1
1 429 . 20 1 1 A 37 37 ASP CA C 37 56.496 56.617 -0.121 1
1 430 . 20 1 1 A 37 37 ASP CB C 37 41.271 41.080 0.191 1
1 431 . 20 1 1 A 37 37 ASP N N 37 118.229 119.496 -1.267 1
1 432 . 20 1 1 A 38 38 ILE H H 38 7.728 7.477 0.251 1
1 433 . 20 1 1 A 38 38 ILE HA H 38 4.676 4.260 0.416 1
1 443 . 20 1 1 A 38 38 ILE C C 38 176.102 176.218 -0.116 1
1 444 . 20 1 1 A 38 38 ILE CA C 38 61.973 60.666 1.307 1
1 445 . 20 1 1 A 38 38 ILE CB C 38 38.682 37.572 1.110 1
1 449 . 20 1 1 A 38 38 ILE N N 38 112.806 111.667 1.139 1
1 450 . 20 1 1 A 39 39 GLY H H 39 7.735 8.007 -0.272 1
1 451 . 20 1 1 A 39 39 GLY HA2 H 39 4.271 3.993 0.278 1
1 452 . 20 1 1 A 39 39 GLY HA3 H 39 3.898 4.014 -0.116 1
1 453 . 20 1 1 A 39 39 GLY C C 39 174.444 173.989 0.455 1
1 454 . 20 1 1 A 39 39 GLY CA C 39 46.438 46.296 0.142 1
1 455 . 20 1 1 A 39 39 GLY N N 39 107.120 110.919 -3.799 1
1 456 . 20 1 1 A 40 40 TYR H H 40 8.081 8.261 -0.180 1
1 457 . 20 1 1 A 40 40 TYR HA H 40 4.586 4.825 -0.239 1
1 464 . 20 1 1 A 40 40 TYR C C 40 174.461 175.025 -0.564 1
1 465 . 20 1 1 A 40 40 TYR CA C 40 58.185 57.072 1.113 1
1 466 . 20 1 1 A 40 40 TYR CB C 40 40.424 39.900 0.524 1
1 471 . 20 1 1 A 40 40 TYR N N 40 121.688 118.474 3.214 1
1 472 . 20 1 1 A 41 41 ASP H H 41 8.040 8.867 -0.827 1
1 473 . 20 1 1 A 41 41 ASP HA H 41 4.727 4.846 -0.119 1
1 476 . 20 1 1 A 41 41 ASP C C 41 175.980 177.336 -1.356 1
1 477 . 20 1 1 A 41 41 ASP CA C 41 52.812 54.166 -1.354 1
1 478 . 20 1 1 A 41 41 ASP CB C 41 42.068 41.602 0.466 1
1 479 . 20 1 1 A 41 41 ASP N N 41 124.041 125.573 -1.532 1
1 480 . 20 1 1 A 42 42 SER H H 42 8.561 9.041 -0.480 1
1 481 . 20 1 1 A 42 42 SER HA H 42 4.198 4.058 0.140 1
1 484 . 20 1 1 A 42 42 SER C C 42 176.472 176.718 -0.246 1
1 485 . 20 1 1 A 42 42 SER CA C 42 62.309 62.144 0.165 1
1 486 . 20 1 1 A 42 42 SER CB C 42 62.943 62.462 0.481 1
1 487 . 20 1 1 A 42 42 SER N N 42 114.493 118.587 -4.094 1
1 488 . 20 1 1 A 43 43 LEU H H 43 7.804 8.065 -0.261 1
1 489 . 20 1 1 A 43 43 LEU HA H 43 4.270 4.062 0.208 1
1 499 . 20 1 1 A 43 43 LEU C C 43 179.551 178.333 1.218 1
1 500 . 20 1 1 A 43 43 LEU CA C 43 58.369 58.053 0.316 1
1 501 . 20 1 1 A 43 43 LEU CB C 43 41.057 41.950 -0.893 1
1 505 . 20 1 1 A 43 43 LEU N N 43 122.459 124.488 -2.029 1
1 506 . 20 1 1 A 44 44 ALA H H 44 8.064 8.412 -0.348 1
1 507 . 20 1 1 A 44 44 ALA HA H 44 4.334 4.051 0.283 1
1 511 . 20 1 1 A 44 44 ALA C C 44 181.733 180.036 1.697 1
1 512 . 20 1 1 A 44 44 ALA CA C 44 54.987 55.231 -0.244 1
1 513 . 20 1 1 A 44 44 ALA CB C 44 18.500 18.366 0.134 1
1 514 . 20 1 1 A 44 44 ALA N N 44 123.223 120.884 2.339 1
1 515 . 20 1 1 A 45 45 LEU H H 45 8.422 8.486 -0.064 1
1 516 . 20 1 1 A 45 45 LEU HA H 45 3.907 4.069 -0.162 1
1 526 . 20 1 1 A 45 45 LEU C C 45 178.613 178.769 -0.156 1
1 527 . 20 1 1 A 45 45 LEU CA C 45 58.419 57.622 0.797 1
1 528 . 20 1 1 A 45 45 LEU CB C 45 41.643 41.505 0.138 1
1 532 . 20 1 1 A 45 45 LEU N N 45 121.714 120.374 1.340 1
1 533 . 20 1 1 A 46 46 MET H H 46 8.344 8.203 0.141 1
1 534 . 20 1 1 A 46 46 MET HA H 46 4.259 4.056 0.203 1
1 539 . 20 1 1 A 46 46 MET C C 46 179.856 178.381 1.475 1
1 540 . 20 1 1 A 46 46 MET CA C 46 58.769 58.635 0.134 1
1 541 . 20 1 1 A 46 46 MET CB C 46 32.022 32.059 -0.037 1
1 543 . 20 1 1 A 46 46 MET N N 46 119.039 116.934 2.105 1
1 544 . 20 1 1 A 47 47 GLU H H 47 8.414 7.775 0.639 1
1 545 . 20 1 1 A 47 47 GLU HA H 47 4.257 4.147 0.110 1
1 550 . 20 1 1 A 47 47 GLU C C 47 179.208 179.452 -0.244 1
1 551 . 20 1 1 A 47 47 GLU CA C 47 59.504 59.037 0.467 1
1 552 . 20 1 1 A 47 47 GLU CB C 47 29.229 29.360 -0.131 1
1 554 . 20 1 1 A 47 47 GLU N N 47 121.231 121.004 0.227 1
1 555 . 20 1 1 A 48 48 THR H H 48 8.329 7.626 0.703 1
1 556 . 20 1 1 A 48 48 THR HA H 48 3.962 3.888 0.074 1
1 561 . 20 1 1 A 48 48 THR C C 48 176.334 176.171 0.163 1
1 562 . 20 1 1 A 48 48 THR CA C 48 67.882 66.647 1.235 1
1 563 . 20 1 1 A 48 48 THR CB C 48 68.478 68.670 -0.192 1
1 565 . 20 1 1 A 48 48 THR N N 48 118.600 117.216 1.384 1
1 566 . 20 1 1 A 49 49 ALA H H 49 8.756 8.416 0.340 1
1 567 . 20 1 1 A 49 49 ALA HA H 49 3.963 3.919 0.044 1
1 571 . 20 1 1 A 49 49 ALA C C 49 178.615 179.306 -0.691 1
1 572 . 20 1 1 A 49 49 ALA CA C 49 56.227 55.511 0.716 1
1 573 . 20 1 1 A 49 49 ALA CB C 49 17.499 17.925 -0.426 1
1 574 . 20 1 1 A 49 49 ALA N N 49 123.599 122.930 0.669 1
1 575 . 20 1 1 A 50 50 ALA H H 50 8.191 8.339 -0.148 1
1 576 . 20 1 1 A 50 50 ALA HA H 50 4.281 4.359 -0.078 1
1 580 . 20 1 1 A 50 50 ALA C C 50 181.272 180.200 1.072 1
1 581 . 20 1 1 A 50 50 ALA CA C 50 55.488 55.213 0.275 1
1 582 . 20 1 1 A 50 50 ALA CB C 50 18.107 18.631 -0.524 1
1 583 . 20 1 1 A 50 50 ALA N N 50 119.558 120.164 -0.606 1
1 584 . 20 1 1 A 51 51 ARG H H 51 8.146 7.730 0.416 1
1 585 . 20 1 1 A 51 51 ARG HA H 51 4.257 4.044 0.213 1
1 593 . 20 1 1 A 51 51 ARG C C 51 179.815 178.485 1.330 1
1 594 . 20 1 1 A 51 51 ARG CA C 51 59.591 59.123 0.468 1
1 595 . 20 1 1 A 51 51 ARG CB C 51 30.400 29.968 0.432 1
1 599 . 20 1 1 A 51 51 ARG N N 51 119.722 118.877 0.845 1
1 601 . 20 1 1 A 52 52 LEU H H 52 8.432 8.053 0.379 1
1 602 . 20 1 1 A 52 52 LEU HA H 52 4.330 4.177 0.153 1
1 612 . 20 1 1 A 52 52 LEU C C 52 179.152 179.380 -0.228 1
1 613 . 20 1 1 A 52 52 LEU CA C 52 58.139 58.172 -0.033 1
1 614 . 20 1 1 A 52 52 LEU CB C 52 42.615 41.156 1.459 1
1 618 . 20 1 1 A 52 52 LEU N N 52 120.470 119.731 0.739 1
1 619 . 20 1 1 A 53 53 GLU H H 53 8.989 8.719 0.270 1
1 620 . 20 1 1 A 53 53 GLU HA H 53 4.105 3.980 0.125 1
1 625 . 20 1 1 A 53 53 GLU C C 53 179.370 178.893 0.477 1
1 626 . 20 1 1 A 53 53 GLU CA C 53 60.145 59.873 0.272 1
1 627 . 20 1 1 A 53 53 GLU CB C 53 29.184 29.330 -0.146 1
1 629 . 20 1 1 A 53 53 GLU N N 53 119.668 118.375 1.293 1
1 630 . 20 1 1 A 54 54 SER H H 54 8.028 7.964 0.064 1
1 631 . 20 1 1 A 54 54 SER HA H 54 4.392 4.142 0.250 1
1 634 . 20 1 1 A 54 54 SER C C 54 176.891 177.333 -0.442 1
1 635 . 20 1 1 A 54 54 SER CA C 54 61.162 61.709 -0.547 1
1 636 . 20 1 1 A 54 54 SER CB C 54 63.222 63.065 0.157 1
1 637 . 20 1 1 A 54 54 SER N N 54 112.842 115.354 -2.512 1
1 638 . 20 1 1 A 55 55 ARG H H 55 8.070 8.334 -0.264 1
1 639 . 20 1 1 A 55 55 ARG HA H 55 4.111 3.931 0.180 1
1 647 . 20 1 1 A 55 55 ARG C C 55 177.830 177.356 0.474 1
1 648 . 20 1 1 A 55 55 ARG CA C 55 58.824 58.692 0.132 1
1 649 . 20 1 1 A 55 55 ARG CB C 55 30.829 29.613 1.216 1
1 653 . 20 1 1 A 55 55 ARG N N 55 120.550 121.663 -1.113 1
1 655 . 20 1 1 A 56 56 TYR H H 56 8.171 7.752 0.419 1
1 656 . 20 1 1 A 56 56 TYR HA H 56 4.685 4.652 0.033 1
1 663 . 20 1 1 A 56 56 TYR C C 56 176.027 175.699 0.328 1
1 664 . 20 1 1 A 56 56 TYR CA C 56 59.110 57.868 1.242 1
1 665 . 20 1 1 A 56 56 TYR CB C 56 39.339 38.780 0.559 1
1 670 . 20 1 1 A 56 56 TYR N N 56 113.561 114.755 -1.194 1
1 671 . 20 1 1 A 57 57 GLY H H 57 7.998 8.227 -0.229 1
1 672 . 20 1 1 A 57 57 GLY HA2 H 57 4.105 3.977 0.128 1
1 673 . 20 1 1 A 57 57 GLY HA3 H 57 4.105 3.984 0.121 1
1 674 . 20 1 1 A 57 57 GLY C C 57 174.600 173.651 0.949 1
1 675 . 20 1 1 A 57 57 GLY CA C 57 47.349 46.967 0.382 1
1 676 . 20 1 1 A 57 57 GLY N N 57 109.470 110.207 -0.737 1
1 677 . 20 1 1 A 58 58 VAL H H 58 7.515 7.641 -0.126 1
1 678 . 20 1 1 A 58 58 VAL HA H 58 4.694 4.765 -0.071 1
1 686 . 20 1 1 A 58 58 VAL C C 58 174.016 173.095 0.921 1
1 687 . 20 1 1 A 58 58 VAL CA C 58 59.282 59.574 -0.292 1
1 688 . 20 1 1 A 58 58 VAL CB C 58 34.791 35.630 -0.839 1
1 691 . 20 1 1 A 58 58 VAL N N 58 112.406 119.471 -7.065 1
1 692 . 20 1 1 A 59 59 SER H H 59 8.489 8.698 -0.209 1
1 693 . 20 1 1 A 59 59 SER HA H 59 4.847 5.380 -0.533 1
1 696 . 20 1 1 A 59 59 SER C C 59 173.643 173.252 0.391 1
1 697 . 20 1 1 A 59 59 SER CA C 59 57.213 57.047 0.166 1
1 698 . 20 1 1 A 59 59 SER CB C 59 64.285 65.490 -1.205 1
1 699 . 20 1 1 A 59 59 SER N N 59 116.724 119.238 -2.514 1
1 700 . 20 1 1 A 60 60 ILE H H 60 8.224 9.564 -1.340 1
1 701 . 20 1 1 A 60 60 ILE HA H 60 4.676 4.604 0.072 1
1 711 . 20 1 1 A 60 60 ILE CA C 60 57.702 57.288 0.414 1
1 712 . 20 1 1 A 60 60 ILE CB C 60 40.520 40.877 -0.357 1
1 716 . 20 1 1 A 60 60 ILE N N 60 125.582 125.313 0.269 1
1 717 . 20 1 1 A 61 61 PRO HA H 61 4.543 4.624 -0.081 1
1 724 . 20 1 1 A 61 61 PRO C C 61 177.547 177.152 0.395 1
1 725 . 20 1 1 A 61 61 PRO CA C 61 63.523 62.957 0.566 1
1 726 . 20 1 1 A 61 61 PRO CB C 61 32.704 31.622 1.082 1
1 729 . 20 1 1 A 62 62 ASP H H 62 8.857 8.745 0.112 1
1 730 . 20 1 1 A 62 62 ASP HA H 62 4.447 4.270 0.177 1
1 733 . 20 1 1 A 62 62 ASP C C 62 177.504 178.290 -0.786 1
1 734 . 20 1 1 A 62 62 ASP CA C 62 57.105 56.858 0.247 1
1 735 . 20 1 1 A 62 62 ASP CB C 62 40.668 39.726 0.942 1
1 736 . 20 1 1 A 62 62 ASP N N 62 123.624 125.414 -1.790 1
1 737 . 20 1 1 A 63 63 ASP H H 63 8.691 7.999 0.692 1
1 738 . 20 1 1 A 63 63 ASP HA H 63 4.508 4.472 0.036 1
1 741 . 20 1 1 A 63 63 ASP C C 63 177.468 178.872 -1.404 1
1 742 . 20 1 1 A 63 63 ASP CA C 63 55.267 57.210 -1.943 1
1 743 . 20 1 1 A 63 63 ASP CB C 63 39.691 40.784 -1.093 1
1 744 . 20 1 1 A 63 63 ASP N N 63 116.744 120.808 -4.064 1
1 745 . 20 1 1 A 64 64 VAL H H 64 7.388 7.696 -0.308 1
1 746 . 20 1 1 A 64 64 VAL HA H 64 3.789 3.601 0.188 1
1 754 . 20 1 1 A 64 64 VAL C C 64 177.793 178.014 -0.221 1
1 755 . 20 1 1 A 64 64 VAL CA C 64 65.251 66.361 -1.110 1
1 756 . 20 1 1 A 64 64 VAL CB C 64 32.347 31.298 1.049 1
1 759 . 20 1 1 A 64 64 VAL N N 64 119.303 120.596 -1.293 1
1 760 . 20 1 1 A 65 65 ALA H H 65 8.212 8.495 -0.283 1
1 761 . 20 1 1 A 65 65 ALA HA H 65 3.967 4.034 -0.067 1
1 765 . 20 1 1 A 65 65 ALA C C 65 178.005 179.091 -1.086 1
1 766 . 20 1 1 A 65 65 ALA CA C 65 55.196 55.119 0.077 1
1 767 . 20 1 1 A 65 65 ALA CB C 65 18.373 18.493 -0.120 1
1 768 . 20 1 1 A 65 65 ALA N N 65 122.060 121.682 0.378 1
1 769 . 20 1 1 A 66 66 GLY H H 66 7.995 7.895 0.100 1
1 770 . 20 1 1 A 66 66 GLY HA2 H 66 4.133 3.929 0.204 1
1 771 . 20 1 1 A 66 66 GLY HA3 H 66 3.912 3.947 -0.035 1
1 772 . 20 1 1 A 66 66 GLY C C 66 174.615 174.863 -0.248 1
1 773 . 20 1 1 A 66 66 GLY CA C 66 45.925 45.634 0.291 1
1 774 . 20 1 1 A 66 66 GLY N N 66 99.445 104.980 -5.535 1
1 775 . 20 1 1 A 67 67 ARG H H 67 7.478 8.068 -0.590 1
1 776 . 20 1 1 A 67 67 ARG HA H 67 4.659 4.397 0.262 1
1 784 . 20 1 1 A 67 67 ARG C C 67 176.470 175.809 0.661 1
1 785 . 20 1 1 A 67 67 ARG CA C 67 55.647 57.346 -1.699 1
1 786 . 20 1 1 A 67 67 ARG CB C 67 31.843 30.582 1.261 1
1 790 . 20 1 1 A 67 67 ARG N N 67 116.761 120.170 -3.409 1
1 792 . 20 1 1 A 68 68 VAL H H 68 7.244 7.083 0.161 1
1 793 . 20 1 1 A 68 68 VAL HA H 68 4.437 4.157 0.280 1
1 801 . 20 1 1 A 68 68 VAL C C 68 175.250 175.687 -0.437 1
1 802 . 20 1 1 A 68 68 VAL CA C 68 61.919 61.985 -0.066 1
1 803 . 20 1 1 A 68 68 VAL CB C 68 33.329 32.521 0.808 1
1 806 . 20 1 1 A 68 68 VAL N N 68 114.725 117.622 -2.897 1
1 807 . 20 1 1 A 69 69 ASP H H 69 9.180 9.595 -0.415 1
1 808 . 20 1 1 A 69 69 ASP HA H 69 5.272 4.809 0.463 1
1 811 . 20 1 1 A 69 69 ASP C C 69 177.035 175.996 1.039 1
1 812 . 20 1 1 A 69 69 ASP CA C 69 55.862 55.645 0.217 1
1 813 . 20 1 1 A 69 69 ASP CB C 69 44.421 42.757 1.664 1
1 814 . 20 1 1 A 69 69 ASP N N 69 120.929 125.020 -4.091 1
1 815 . 20 1 1 A 70 70 THR H H 70 7.490 7.002 0.488 1
1 816 . 20 1 1 A 70 70 THR HA H 70 4.969 4.298 0.671 1
1 821 . 20 1 1 A 70 70 THR CA C 70 57.776 58.240 -0.464 1
1 822 . 20 1 1 A 70 70 THR CB C 70 71.416 70.221 1.195 1
1 824 . 20 1 1 A 70 70 THR N N 70 107.879 108.087 -0.208 1
1 825 . 20 1 1 A 71 71 PRO HA H 71 4.247 4.219 0.028 1
1 832 . 20 1 1 A 71 71 PRO C C 71 177.413 177.595 -0.182 1
1 833 . 20 1 1 A 71 71 PRO CA C 71 65.812 65.062 0.750 1
1 834 . 20 1 1 A 71 71 PRO CB C 71 32.647 31.469 1.178 1
1 837 . 20 1 1 A 72 72 ARG H H 72 9.000 7.728 1.272 1
1 838 . 20 1 1 A 72 72 ARG HA H 72 3.619 3.962 -0.343 1
1 850 . 20 1 1 A 72 72 ARG C C 72 177.530 178.857 -1.327 1
1 851 . 20 1 1 A 72 72 ARG CA C 72 60.211 59.152 1.059 1
1 852 . 20 1 1 A 72 72 ARG CB C 72 30.433 30.052 0.381 1
1 856 . 20 1 1 A 72 72 ARG N N 72 117.747 118.304 -0.557 1
1 860 . 20 1 1 A 73 73 GLU H H 73 7.840 7.998 -0.158 1
1 861 . 20 1 1 A 73 73 GLU HA H 73 4.245 4.024 0.221 1
1 866 . 20 1 1 A 73 73 GLU C C 73 180.139 179.262 0.877 1
1 867 . 20 1 1 A 73 73 GLU CA C 73 59.071 58.779 0.292 1
1 868 . 20 1 1 A 73 73 GLU CB C 73 30.230 29.600 0.630 1
1 870 . 20 1 1 A 73 73 GLU N N 73 116.639 118.029 -1.390 1
1 871 . 20 1 1 A 74 74 LEU H H 74 7.693 7.753 -0.060 1
1 872 . 20 1 1 A 74 74 LEU HA H 74 4.324 4.059 0.265 1
1 882 . 20 1 1 A 74 74 LEU C C 74 177.000 178.167 -1.167 1
1 883 . 20 1 1 A 74 74 LEU CA C 74 58.123 58.116 0.007 1
1 884 . 20 1 1 A 74 74 LEU CB C 74 42.242 41.749 0.493 1
1 888 . 20 1 1 A 74 74 LEU N N 74 120.218 121.958 -1.740 1
1 889 . 20 1 1 A 75 75 LEU H H 75 8.731 8.620 0.111 1
1 890 . 20 1 1 A 75 75 LEU HA H 75 3.904 3.924 -0.020 1
1 900 . 20 1 1 A 75 75 LEU C C 75 178.122 177.909 0.213 1
1 901 . 20 1 1 A 75 75 LEU CA C 75 58.462 58.422 0.040 1
1 902 . 20 1 1 A 75 75 LEU CB C 75 42.400 41.525 0.875 1
1 906 . 20 1 1 A 75 75 LEU N N 75 121.211 119.714 1.497 1
1 907 . 20 1 1 A 76 76 ASP H H 76 8.703 8.230 0.473 1
1 908 . 20 1 1 A 76 76 ASP HA H 76 4.497 4.245 0.252 1
1 911 . 20 1 1 A 76 76 ASP C C 76 180.101 178.243 1.858 1
1 912 . 20 1 1 A 76 76 ASP CA C 76 57.325 57.647 -0.322 1
1 913 . 20 1 1 A 76 76 ASP CB C 76 39.936 41.890 -1.954 1
1 914 . 20 1 1 A 76 76 ASP N N 76 117.466 118.741 -1.275 1
1 915 . 20 1 1 A 77 77 LEU H H 77 8.019 8.056 -0.037 1
1 916 . 20 1 1 A 77 77 LEU HA H 77 4.282 4.015 0.267 1
1 926 . 20 1 1 A 77 77 LEU C C 77 179.840 178.247 1.593 1
1 927 . 20 1 1 A 77 77 LEU CA C 77 58.417 58.463 -0.046 1
1 928 . 20 1 1 A 77 77 LEU CB C 77 42.856 41.801 1.055 1
1 932 . 20 1 1 A 77 77 LEU N N 77 122.891 120.093 2.798 1
1 933 . 20 1 1 A 78 78 ILE H H 78 8.281 8.193 0.088 1
1 934 . 20 1 1 A 78 78 ILE HA H 78 3.756 3.474 0.282 1
1 944 . 20 1 1 A 78 78 ILE C C 78 177.655 178.205 -0.550 1
1 945 . 20 1 1 A 78 78 ILE CA C 78 64.638 65.127 -0.489 1
1 946 . 20 1 1 A 78 78 ILE CB C 78 37.325 37.284 0.041 1
1 950 . 20 1 1 A 78 78 ILE N N 78 119.758 119.913 -0.155 1
1 951 . 20 1 1 A 79 79 ASN H H 79 8.880 9.181 -0.301 1
1 952 . 20 1 1 A 79 79 ASN HA H 79 4.918 4.441 0.477 1
1 957 . 20 1 1 A 79 79 ASN C C 79 179.481 179.190 0.291 1
1 958 . 20 1 1 A 79 79 ASN CA C 79 55.446 56.304 -0.858 1
1 959 . 20 1 1 A 79 79 ASN CB C 79 37.299 37.634 -0.335 1
1 960 . 20 1 1 A 79 79 ASN N N 79 117.848 118.360 -0.512 1
1 962 . 20 1 1 A 80 80 GLY H H 80 8.441 8.451 -0.010 1
1 963 . 20 1 1 A 80 80 GLY HA2 H 80 4.036 3.811 0.225 1
1 964 . 20 1 1 A 80 80 GLY HA3 H 80 4.036 3.812 0.224 1
1 965 . 20 1 1 A 80 80 GLY C C 80 175.746 176.281 -0.535 1
1 966 . 20 1 1 A 80 80 GLY CA C 80 47.065 47.105 -0.040 1
1 967 . 20 1 1 A 80 80 GLY N N 80 110.120 108.903 1.217 1
1 968 . 20 1 1 A 81 81 ALA H H 81 7.604 7.980 -0.376 1
1 969 . 20 1 1 A 81 81 ALA HA H 81 4.467 3.978 0.489 1
1 973 . 20 1 1 A 81 81 ALA C C 81 180.565 180.038 0.527 1
1 974 . 20 1 1 A 81 81 ALA CA C 81 54.298 54.625 -0.327 1
1 975 . 20 1 1 A 81 81 ALA CB C 81 18.530 18.347 0.183 1
1 976 . 20 1 1 A 81 81 ALA N N 81 124.070 125.304 -1.234 1
1 977 . 20 1 1 A 82 82 LEU H H 82 8.299 8.554 -0.255 1
1 978 . 20 1 1 A 82 82 LEU HA H 82 4.219 3.937 0.282 1
1 988 . 20 1 1 A 82 82 LEU C C 82 178.837 179.267 -0.430 1
1 989 . 20 1 1 A 82 82 LEU CA C 82 56.967 58.113 -1.146 1
1 990 . 20 1 1 A 82 82 LEU CB C 82 42.610 40.918 1.692 1
1 994 . 20 1 1 A 82 82 LEU N N 82 119.823 119.611 0.212 1
1 995 . 20 1 1 A 83 83 ALA H H 83 7.964 8.380 -0.416 1
1 996 . 20 1 1 A 83 83 ALA HA H 83 4.298 4.008 0.290 1
1 1000 . 20 1 1 A 83 83 ALA C C 83 178.739 179.555 -0.816 1
1 1001 . 20 1 1 A 83 83 ALA CA C 83 53.965 55.179 -1.214 1
1 1002 . 20 1 1 A 83 83 ALA CB C 83 18.917 18.069 0.848 1
1 1003 . 20 1 1 A 83 83 ALA N N 83 121.306 122.151 -0.845 1
1 1004 . 20 1 1 A 84 84 GLU H H 84 7.746 7.707 0.039 1
1 1005 . 20 1 1 A 84 84 GLU HA H 84 4.396 4.209 0.187 1
1 1010 . 20 1 1 A 84 84 GLU C C 84 176.347 177.612 -1.265 1
1 1011 . 20 1 1 A 84 84 GLU CA C 84 56.739 58.762 -2.023 1
1 1012 . 20 1 1 A 84 84 GLU CB C 84 30.126 29.616 0.510 1
1 1014 . 20 1 1 A 84 84 GLU N N 84 117.080 116.328 0.752 1
1 1015 . 20 1 1 A 85 85 ALA H H 85 7.832 7.478 0.354 1
1 1016 . 20 1 1 A 85 85 ALA HA H 85 4.485 4.244 0.241 1
1 1020 . 20 1 1 A 85 85 ALA C C 85 176.564 177.398 -0.834 1
1 1021 . 20 1 1 A 85 85 ALA CA C 85 52.485 52.269 0.216 1
1 1022 . 20 1 1 A 85 85 ALA CB C 85 19.529 18.943 0.586 1
1 1023 . 20 1 1 A 85 85 ALA N N 85 124.010 122.206 1.804 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 82 0.998 1
2 1 1 1 "RMS(OBS, PRED)" CA 84 0.897 1
3 1 1 1 "RMS(OBS, PRED)" CB 77 1.037 1
4 1 1 1 "RMS(OBS, PRED)" H 81 0.393 1
5 1 1 1 "RMS(OBS, PRED)" HA 91 0.255 1
6 1 1 1 "RMS(OBS, PRED)" N 81 2.520 1
7 1 2 1 "RMS(OBS, PRED)" C 82 0.877 1
8 1 2 1 "RMS(OBS, PRED)" CA 84 0.861 1
9 1 2 1 "RMS(OBS, PRED)" CB 77 0.915 1
10 1 2 1 "RMS(OBS, PRED)" H 81 0.391 1
11 1 2 1 "RMS(OBS, PRED)" HA 91 0.281 1
12 1 2 1 "RMS(OBS, PRED)" N 81 2.487 1
13 1 3 1 "RMS(OBS, PRED)" C 82 1.019 1
14 1 3 1 "RMS(OBS, PRED)" CA 84 0.926 1
15 1 3 1 "RMS(OBS, PRED)" CB 77 1.035 1
16 1 3 1 "RMS(OBS, PRED)" H 81 0.382 1
17 1 3 1 "RMS(OBS, PRED)" HA 91 0.244 1
18 1 3 1 "RMS(OBS, PRED)" N 81 2.422 1
19 1 4 1 "RMS(OBS, PRED)" C 82 0.973 1
20 1 4 1 "RMS(OBS, PRED)" CA 84 0.832 1
21 1 4 1 "RMS(OBS, PRED)" CB 77 0.929 1
22 1 4 1 "RMS(OBS, PRED)" H 81 0.399 1
23 1 4 1 "RMS(OBS, PRED)" HA 91 0.267 1
24 1 4 1 "RMS(OBS, PRED)" N 81 2.777 1
25 1 5 1 "RMS(OBS, PRED)" C 82 0.997 1
26 1 5 1 "RMS(OBS, PRED)" CA 84 0.838 1
27 1 5 1 "RMS(OBS, PRED)" CB 77 0.936 1
28 1 5 1 "RMS(OBS, PRED)" H 81 0.417 1
29 1 5 1 "RMS(OBS, PRED)" HA 91 0.260 1
30 1 5 1 "RMS(OBS, PRED)" N 81 2.604 1
31 1 6 1 "RMS(OBS, PRED)" C 82 0.946 1
32 1 6 1 "RMS(OBS, PRED)" CA 84 0.819 1
33 1 6 1 "RMS(OBS, PRED)" CB 77 1.128 1
34 1 6 1 "RMS(OBS, PRED)" H 81 0.416 1
35 1 6 1 "RMS(OBS, PRED)" HA 91 0.263 1
36 1 6 1 "RMS(OBS, PRED)" N 81 2.876 1
37 1 7 1 "RMS(OBS, PRED)" C 82 0.979 1
38 1 7 1 "RMS(OBS, PRED)" CA 84 0.886 1
39 1 7 1 "RMS(OBS, PRED)" CB 77 1.242 1
40 1 7 1 "RMS(OBS, PRED)" H 81 0.421 1
41 1 7 1 "RMS(OBS, PRED)" HA 91 0.289 1
42 1 7 1 "RMS(OBS, PRED)" N 81 2.524 1
43 1 8 1 "RMS(OBS, PRED)" C 82 0.918 1
44 1 8 1 "RMS(OBS, PRED)" CA 84 0.802 1
45 1 8 1 "RMS(OBS, PRED)" CB 77 1.122 1
46 1 8 1 "RMS(OBS, PRED)" H 81 0.414 1
47 1 8 1 "RMS(OBS, PRED)" HA 91 0.272 1
48 1 8 1 "RMS(OBS, PRED)" N 81 2.627 1
49 1 9 1 "RMS(OBS, PRED)" C 82 0.969 1
50 1 9 1 "RMS(OBS, PRED)" CA 84 0.883 1
51 1 9 1 "RMS(OBS, PRED)" CB 77 0.916 1
52 1 9 1 "RMS(OBS, PRED)" H 81 0.413 1
53 1 9 1 "RMS(OBS, PRED)" HA 91 0.261 1
54 1 9 1 "RMS(OBS, PRED)" N 81 2.735 1
55 1 10 1 "RMS(OBS, PRED)" C 82 0.928 1
56 1 10 1 "RMS(OBS, PRED)" CA 84 0.947 1
57 1 10 1 "RMS(OBS, PRED)" CB 77 0.923 1
58 1 10 1 "RMS(OBS, PRED)" H 81 0.421 1
59 1 10 1 "RMS(OBS, PRED)" HA 91 0.254 1
60 1 10 1 "RMS(OBS, PRED)" N 81 2.695 1
61 1 11 1 "RMS(OBS, PRED)" C 82 0.895 1
62 1 11 1 "RMS(OBS, PRED)" CA 84 0.930 1
63 1 11 1 "RMS(OBS, PRED)" CB 77 1.011 1
64 1 11 1 "RMS(OBS, PRED)" H 81 0.406 1
65 1 11 1 "RMS(OBS, PRED)" HA 91 0.281 1
66 1 11 1 "RMS(OBS, PRED)" N 81 2.551 1
67 1 12 1 "RMS(OBS, PRED)" C 82 1.053 1
68 1 12 1 "RMS(OBS, PRED)" CA 84 0.954 1
69 1 12 1 "RMS(OBS, PRED)" CB 77 0.901 1
70 1 12 1 "RMS(OBS, PRED)" H 81 0.418 1
71 1 12 1 "RMS(OBS, PRED)" HA 91 0.281 1
72 1 12 1 "RMS(OBS, PRED)" N 81 2.791 1
73 1 13 1 "RMS(OBS, PRED)" C 82 1.056 1
74 1 13 1 "RMS(OBS, PRED)" CA 84 0.972 1
75 1 13 1 "RMS(OBS, PRED)" CB 77 0.872 1
76 1 13 1 "RMS(OBS, PRED)" H 81 0.385 1
77 1 13 1 "RMS(OBS, PRED)" HA 91 0.254 1
78 1 13 1 "RMS(OBS, PRED)" N 81 2.687 1
79 1 14 1 "RMS(OBS, PRED)" C 82 0.948 1
80 1 14 1 "RMS(OBS, PRED)" CA 84 0.849 1
81 1 14 1 "RMS(OBS, PRED)" CB 77 0.875 1
82 1 14 1 "RMS(OBS, PRED)" H 81 0.407 1
83 1 14 1 "RMS(OBS, PRED)" HA 91 0.257 1
84 1 14 1 "RMS(OBS, PRED)" N 81 2.537 1
85 1 15 1 "RMS(OBS, PRED)" C 82 0.964 1
86 1 15 1 "RMS(OBS, PRED)" CA 84 0.815 1
87 1 15 1 "RMS(OBS, PRED)" CB 77 1.002 1
88 1 15 1 "RMS(OBS, PRED)" H 81 0.417 1
89 1 15 1 "RMS(OBS, PRED)" HA 91 0.255 1
90 1 15 1 "RMS(OBS, PRED)" N 81 2.676 1
91 1 16 1 "RMS(OBS, PRED)" C 82 0.982 1
92 1 16 1 "RMS(OBS, PRED)" CA 84 0.823 1
93 1 16 1 "RMS(OBS, PRED)" CB 77 1.076 1
94 1 16 1 "RMS(OBS, PRED)" H 81 0.459 1
95 1 16 1 "RMS(OBS, PRED)" HA 91 0.266 1
96 1 16 1 "RMS(OBS, PRED)" N 81 2.418 1
97 1 17 1 "RMS(OBS, PRED)" C 82 1.007 1
98 1 17 1 "RMS(OBS, PRED)" CA 84 0.872 1
99 1 17 1 "RMS(OBS, PRED)" CB 77 1.034 1
100 1 17 1 "RMS(OBS, PRED)" H 81 0.410 1
101 1 17 1 "RMS(OBS, PRED)" HA 91 0.294 1
102 1 17 1 "RMS(OBS, PRED)" N 81 2.523 1
103 1 18 1 "RMS(OBS, PRED)" C 82 0.860 1
104 1 18 1 "RMS(OBS, PRED)" CA 84 0.744 1
105 1 18 1 "RMS(OBS, PRED)" CB 77 0.921 1
106 1 18 1 "RMS(OBS, PRED)" H 81 0.451 1
107 1 18 1 "RMS(OBS, PRED)" HA 91 0.231 1
108 1 18 1 "RMS(OBS, PRED)" N 81 2.531 1
109 1 19 1 "RMS(OBS, PRED)" C 82 0.934 1
110 1 19 1 "RMS(OBS, PRED)" CA 84 0.865 1
111 1 19 1 "RMS(OBS, PRED)" CB 77 0.975 1
112 1 19 1 "RMS(OBS, PRED)" H 81 0.402 1
113 1 19 1 "RMS(OBS, PRED)" HA 91 0.253 1
114 1 19 1 "RMS(OBS, PRED)" N 81 2.859 1
115 1 20 1 "RMS(OBS, PRED)" C 82 0.993 1
116 1 20 1 "RMS(OBS, PRED)" CA 84 0.899 1
117 1 20 1 "RMS(OBS, PRED)" CB 77 1.133 1
118 1 20 1 "RMS(OBS, PRED)" H 81 0.450 1
119 1 20 1 "RMS(OBS, PRED)" HA 91 0.262 1
120 1 20 1 "RMS(OBS, PRED)" N 81 2.548 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 2 2 ALA HA H 2 4.297 4.577 -0.280 2
1 5 . 1 1 A 2 2 ALA C C 2 173.708 176.625 -2.917 2
1 6 . 1 1 A 2 2 ALA CA C 2 51.945 52.224 -0.279 2
1 7 . 1 1 A 2 2 ALA CB C 2 19.979 19.789 0.190 2
1 8 . 1 1 A 3 3 THR H H 3 8.680 8.403 0.277 2
1 9 . 1 1 A 3 3 THR HA H 3 4.411 4.685 -0.274 2
1 14 . 1 1 A 3 3 THR C C 3 172.914 173.806 -0.892 2
1 15 . 1 1 A 3 3 THR CA C 3 62.665 61.658 1.007 2
1 16 . 1 1 A 3 3 THR CB C 3 69.902 69.616 0.286 2
1 18 . 1 1 A 3 3 THR N N 3 117.458 115.171 2.287 2
1 19 . 1 1 A 4 4 LEU H H 4 8.145 8.574 -0.429 2
1 20 . 1 1 A 4 4 LEU HA H 4 4.384 4.399 -0.015 2
1 30 . 1 1 A 4 4 LEU C C 4 177.176 175.518 1.658 2
1 31 . 1 1 A 4 4 LEU CA C 4 54.765 55.013 -0.248 2
1 32 . 1 1 A 4 4 LEU CB C 4 42.790 43.543 -0.753 2
1 36 . 1 1 A 4 4 LEU N N 4 124.380 127.829 -3.449 2
1 37 . 1 1 A 5 5 LEU H H 5 9.419 8.436 0.983 2
1 38 . 1 1 A 5 5 LEU HA H 5 4.536 4.940 -0.404 2
1 48 . 1 1 A 5 5 LEU C C 5 177.849 176.761 1.088 2
1 49 . 1 1 A 5 5 LEU CA C 5 55.488 53.474 2.014 2
1 50 . 1 1 A 5 5 LEU CB C 5 42.700 43.295 -0.595 2
1 54 . 1 1 A 5 5 LEU N N 5 124.415 124.859 -0.444 2
1 55 . 1 1 A 6 6 THR H H 6 8.995 8.809 0.186 2
1 56 . 1 1 A 6 6 THR HA H 6 4.783 4.776 0.007 2
1 61 . 1 1 A 6 6 THR C C 6 175.943 176.329 -0.386 2
1 62 . 1 1 A 6 6 THR CA C 6 59.961 60.000 -0.039 2
1 63 . 1 1 A 6 6 THR CB C 6 72.429 71.130 1.299 2
1 65 . 1 1 A 6 6 THR N N 6 114.757 115.618 -0.861 2
1 66 . 1 1 A 7 7 THR H H 7 8.851 8.942 -0.091 2
1 67 . 1 1 A 7 7 THR HA H 7 3.881 3.903 -0.022 2
1 72 . 1 1 A 7 7 THR C C 7 176.566 176.010 0.557 2
1 73 . 1 1 A 7 7 THR CA C 7 67.277 66.967 0.310 2
1 74 . 1 1 A 7 7 THR CB C 7 68.542 68.671 -0.129 2
1 76 . 1 1 A 7 7 THR N N 7 115.540 116.907 -1.367 2
1 77 . 1 1 A 8 8 ASP H H 8 8.279 8.272 0.007 2
1 78 . 1 1 A 8 8 ASP HA H 8 4.638 4.383 0.255 2
1 81 . 1 1 A 8 8 ASP C C 8 178.553 178.313 0.240 2
1 82 . 1 1 A 8 8 ASP CA C 8 57.738 57.793 -0.055 2
1 83 . 1 1 A 8 8 ASP CB C 8 41.219 41.324 -0.105 2
1 84 . 1 1 A 8 8 ASP N N 8 119.967 121.198 -1.231 2
1 85 . 1 1 A 9 9 ASP H H 9 7.905 7.891 0.014 2
1 86 . 1 1 A 9 9 ASP HA H 9 4.573 4.509 0.064 2
1 89 . 1 1 A 9 9 ASP C C 9 179.411 178.792 0.619 2
1 90 . 1 1 A 9 9 ASP CA C 9 57.667 57.494 0.173 2
1 91 . 1 1 A 9 9 ASP CB C 9 41.453 40.608 0.845 2
1 92 . 1 1 A 9 9 ASP N N 9 120.222 119.070 1.152 2
1 93 . 1 1 A 10 10 LEU H H 10 8.097 8.115 -0.018 2
1 94 . 1 1 A 10 10 LEU HA H 10 4.225 4.154 0.070 2
1 104 . 1 1 A 10 10 LEU C C 10 177.475 178.514 -1.039 2
1 105 . 1 1 A 10 10 LEU CA C 10 57.959 58.124 -0.165 2
1 106 . 1 1 A 10 10 LEU CB C 10 42.013 41.657 0.356 2
1 110 . 1 1 A 10 10 LEU N N 10 121.315 120.865 0.450 2
1 111 . 1 1 A 11 11 ARG H H 11 8.841 8.521 0.320 2
1 112 . 1 1 A 11 11 ARG HA H 11 3.524 3.895 -0.371 2
1 120 . 1 1 A 11 11 ARG C C 11 177.728 178.673 -0.945 2
1 121 . 1 1 A 11 11 ARG CA C 11 60.662 59.823 0.839 2
1 122 . 1 1 A 11 11 ARG CB C 11 30.618 29.995 0.623 2
1 126 . 1 1 A 11 11 ARG N N 11 119.774 119.548 0.226 2
1 128 . 1 1 A 12 12 ARG H H 12 7.988 7.947 0.041 2
1 129 . 1 1 A 12 12 ARG HA H 12 4.041 4.044 -0.003 2
1 137 . 1 1 A 12 12 ARG C C 12 178.452 178.366 0.086 2
1 138 . 1 1 A 12 12 ARG CA C 12 59.748 59.368 0.380 2
1 139 . 1 1 A 12 12 ARG CB C 12 30.414 30.146 0.268 2
1 143 . 1 1 A 12 12 ARG N N 12 115.529 119.360 -3.831 2
1 145 . 1 1 A 13 13 ALA H H 13 7.722 7.786 -0.064 2
1 146 . 1 1 A 13 13 ALA HA H 13 4.412 4.174 0.238 2
1 150 . 1 1 A 13 13 ALA C C 13 180.069 180.166 -0.097 2
1 151 . 1 1 A 13 13 ALA CA C 13 54.990 55.071 -0.081 2
1 152 . 1 1 A 13 13 ALA CB C 13 18.654 18.245 0.409 2
1 153 . 1 1 A 13 13 ALA N N 13 119.900 121.583 -1.683 2
1 154 . 1 1 A 14 14 LEU H H 14 8.419 7.964 0.455 2
1 155 . 1 1 A 14 14 LEU HA H 14 4.418 4.076 0.342 2
1 165 . 1 1 A 14 14 LEU C C 14 180.574 179.375 1.199 2
1 166 . 1 1 A 14 14 LEU CA C 14 57.488 57.994 -0.506 2
1 167 . 1 1 A 14 14 LEU CB C 14 42.008 41.903 0.105 2
1 171 . 1 1 A 14 14 LEU N N 14 119.013 118.243 0.770 2
1 172 . 1 1 A 15 15 VAL H H 15 8.501 8.166 0.335 2
1 173 . 1 1 A 15 15 VAL HA H 15 3.929 3.612 0.317 2
1 181 . 1 1 A 15 15 VAL C C 15 178.956 177.726 1.230 2
1 182 . 1 1 A 15 15 VAL CA C 15 66.056 66.965 -0.909 2
1 183 . 1 1 A 15 15 VAL CB C 15 32.053 31.411 0.642 2
1 186 . 1 1 A 15 15 VAL N N 15 120.534 119.148 1.386 2
1 187 . 1 1 A 16 16 GLU H H 16 8.238 8.636 -0.398 2
1 188 . 1 1 A 16 16 GLU HA H 16 4.216 3.993 0.223 2
1 193 . 1 1 A 16 16 GLU C C 16 178.530 178.954 -0.424 2
1 194 . 1 1 A 16 16 GLU CA C 16 58.963 59.658 -0.695 2
1 195 . 1 1 A 16 16 GLU CB C 16 29.866 29.332 0.533 2
1 197 . 1 1 A 16 16 GLU N N 16 119.771 119.825 -0.054 2
1 198 . 1 1 A 17 17 SER H H 17 7.808 8.058 -0.250 2
1 199 . 1 1 A 17 17 SER HA H 17 4.581 4.319 0.262 2
1 202 . 1 1 A 17 17 SER C C 17 174.239 176.070 -1.831 2
1 203 . 1 1 A 17 17 SER CA C 17 59.839 61.042 -1.203 2
1 204 . 1 1 A 17 17 SER CB C 17 64.127 63.147 0.980 2
1 205 . 1 1 A 17 17 SER N N 17 113.608 115.871 -2.263 2
1 206 . 1 1 A 18 18 ALA H H 18 7.809 7.707 0.102 2
1 207 . 1 1 A 18 18 ALA HA H 18 4.358 4.175 0.183 2
1 211 . 1 1 A 18 18 ALA C C 18 178.239 178.129 0.110 2
1 212 . 1 1 A 18 18 ALA CA C 18 52.975 52.609 0.365 2
1 213 . 1 1 A 18 18 ALA CB C 18 19.808 19.451 0.357 2
1 214 . 1 1 A 18 18 ALA N N 18 123.180 121.741 1.439 2
1 215 . 1 1 A 19 19 GLY H H 19 8.241 8.173 0.068 2
1 216 . 1 1 A 19 19 GLY HA2 H 19 4.060 3.956 0.104 2
1 217 . 1 1 A 19 19 GLY HA3 H 19 4.060 3.965 0.095 2
1 218 . 1 1 A 19 19 GLY C C 19 174.390 174.140 0.250 2
1 219 . 1 1 A 19 19 GLY CA C 19 45.570 45.859 -0.289 2
1 220 . 1 1 A 19 19 GLY N N 19 107.414 106.646 0.768 2
1 221 . 1 1 A 20 20 GLU H H 20 8.501 8.313 0.188 2
1 222 . 1 1 A 20 20 GLU HA H 20 4.481 4.531 -0.050 2
1 227 . 1 1 A 20 20 GLU C C 20 176.860 176.118 0.742 2
1 228 . 1 1 A 20 20 GLU CA C 20 56.810 56.103 0.707 2
1 229 . 1 1 A 20 20 GLU CB C 20 30.060 30.189 -0.129 2
1 231 . 1 1 A 20 20 GLU N N 20 120.517 121.871 -1.354 2
1 232 . 1 1 A 21 21 THR H H 21 8.251 8.359 -0.108 2
1 233 . 1 1 A 21 21 THR HA H 21 4.526 4.437 0.089 2
1 238 . 1 1 A 21 21 THR C C 21 174.520 174.157 0.363 2
1 239 . 1 1 A 21 21 THR CA C 21 61.836 62.404 -0.568 2
1 240 . 1 1 A 21 21 THR CB C 21 70.007 69.333 0.674 2
1 242 . 1 1 A 21 21 THR N N 21 113.989 116.594 -2.605 2
1 243 . 1 1 A 22 22 ASP H H 22 8.497 8.270 0.227 2
1 244 . 1 1 A 22 22 ASP HA H 22 4.737 4.643 0.094 2
1 247 . 1 1 A 22 22 ASP C C 22 176.877 176.127 0.750 2
1 248 . 1 1 A 22 22 ASP CA C 22 54.739 54.749 -0.010 2
1 249 . 1 1 A 22 22 ASP CB C 22 41.047 41.757 -0.710 2
1 250 . 1 1 A 22 22 ASP N N 22 122.136 121.692 0.444 2
1 251 . 1 1 A 23 23 GLY H H 23 8.499 8.377 0.122 2
1 252 . 1 1 A 23 23 GLY HA2 H 23 4.087 3.979 0.108 2
1 253 . 1 1 A 23 23 GLY HA3 H 23 4.087 4.003 0.084 2
1 254 . 1 1 A 23 23 GLY C C 23 174.775 174.246 0.529 2
1 255 . 1 1 A 23 23 GLY CA C 23 45.815 46.045 -0.230 2
1 256 . 1 1 A 23 23 GLY N N 23 109.353 109.068 0.285 2
1 257 . 1 1 A 24 24 THR H H 24 8.151 8.308 -0.157 2
1 258 . 1 1 A 24 24 THR HA H 24 4.345 4.285 0.060 2
1 263 . 1 1 A 24 24 THR C C 24 174.220 173.813 0.407 2
1 264 . 1 1 A 24 24 THR CA C 24 63.084 62.554 0.530 2
1 265 . 1 1 A 24 24 THR CB C 24 69.889 68.235 1.654 2
1 267 . 1 1 A 24 24 THR N N 24 115.906 115.003 0.903 2
1 268 . 1 1 A 25 25 ASP H H 25 8.617 8.623 -0.006 2
1 269 . 1 1 A 25 25 ASP HA H 25 4.726 4.613 0.113 2
1 272 . 1 1 A 25 25 ASP C C 25 176.172 176.214 -0.042 2
1 273 . 1 1 A 25 25 ASP CA C 25 54.459 54.047 0.412 2
1 274 . 1 1 A 25 25 ASP CB C 25 41.038 40.111 0.927 2
1 275 . 1 1 A 25 25 ASP N N 25 123.841 124.470 -0.629 2
1 276 . 1 1 A 26 26 LEU H H 26 8.468 8.230 0.238 2
1 277 . 1 1 A 26 26 LEU HA H 26 4.375 4.242 0.133 2
1 287 . 1 1 A 26 26 LEU C C 26 176.307 176.521 -0.214 2
1 288 . 1 1 A 26 26 LEU CA C 26 54.128 54.908 -0.780 2
1 289 . 1 1 A 26 26 LEU CB C 26 41.100 42.034 -0.934 2
1 293 . 1 1 A 26 26 LEU N N 26 123.615 123.635 -0.020 2
1 294 . 1 1 A 27 27 SER H H 27 8.207 7.599 0.608 2
1 295 . 1 1 A 27 27 SER HA H 27 4.303 4.309 -0.006 2
1 298 . 1 1 A 27 27 SER C C 27 175.019 175.065 -0.046 2
1 299 . 1 1 A 27 27 SER CA C 27 59.818 59.800 0.017 2
1 300 . 1 1 A 27 27 SER CB C 27 64.198 63.080 1.118 2
1 301 . 1 1 A 27 27 SER N N 27 115.102 115.229 -0.127 2
1 302 . 1 1 A 28 28 GLY H H 28 8.581 8.626 -0.045 2
1 303 . 1 1 A 28 28 GLY HA2 H 28 4.244 4.053 0.191 2
1 304 . 1 1 A 28 28 GLY HA3 H 28 3.890 4.055 -0.165 2
1 305 . 1 1 A 28 28 GLY C C 28 174.264 172.976 1.288 2
1 306 . 1 1 A 28 28 GLY CA C 28 45.393 45.429 -0.036 2
1 307 . 1 1 A 28 28 GLY N N 28 111.287 112.059 -0.772 2
1 308 . 1 1 A 29 29 ASP H H 29 8.680 8.476 0.204 2
1 309 . 1 1 A 29 29 ASP HA H 29 4.859 5.109 -0.250 2
1 312 . 1 1 A 29 29 ASP C C 29 176.461 176.204 0.257 2
1 313 . 1 1 A 29 29 ASP CA C 29 54.284 53.438 0.846 2
1 314 . 1 1 A 29 29 ASP CB C 29 39.716 41.852 -2.136 2
1 315 . 1 1 A 29 29 ASP N N 29 123.263 123.358 -0.095 2
1 316 . 1 1 A 30 30 PHE H H 30 8.064 8.524 -0.460 2
1 317 . 1 1 A 30 30 PHE HA H 30 4.766 4.809 -0.043 2
1 325 . 1 1 A 30 30 PHE C C 30 175.486 176.517 -1.031 2
1 326 . 1 1 A 30 30 PHE CA C 30 57.460 57.068 0.392 2
1 327 . 1 1 A 30 30 PHE CB C 30 40.521 39.457 1.064 2
1 333 . 1 1 A 30 30 PHE N N 30 122.340 121.224 1.116 2
1 334 . 1 1 A 31 31 LEU H H 31 7.535 7.521 0.014 2
1 335 . 1 1 A 31 31 LEU HA H 31 3.309 3.636 -0.327 2
1 345 . 1 1 A 31 31 LEU C C 31 176.442 177.417 -0.975 2
1 346 . 1 1 A 31 31 LEU CA C 31 57.841 57.242 0.599 2
1 347 . 1 1 A 31 31 LEU CB C 31 42.121 41.536 0.585 2
1 351 . 1 1 A 31 31 LEU N N 31 118.974 121.845 -2.871 2
1 352 . 1 1 A 32 32 ASP H H 32 8.081 7.703 0.378 2
1 353 . 1 1 A 32 32 ASP HA H 32 5.057 4.588 0.469 2
1 356 . 1 1 A 32 32 ASP C C 32 176.035 176.137 -0.102 2
1 357 . 1 1 A 32 32 ASP CA C 32 53.745 54.489 -0.745 2
1 358 . 1 1 A 32 32 ASP CB C 32 41.757 41.288 0.469 2
1 359 . 1 1 A 32 32 ASP N N 32 111.858 116.488 -4.630 2
1 360 . 1 1 A 33 33 LEU H H 33 7.223 7.375 -0.152 2
1 361 . 1 1 A 33 33 LEU HA H 33 4.315 4.214 0.101 2
1 371 . 1 1 A 33 33 LEU C C 33 174.834 176.163 -1.329 2
1 372 . 1 1 A 33 33 LEU CA C 33 54.484 54.712 -0.228 2
1 373 . 1 1 A 33 33 LEU CB C 33 42.469 41.987 0.482 2
1 377 . 1 1 A 33 33 LEU N N 33 122.072 122.191 -0.118 2
1 378 . 1 1 A 34 34 ARG H H 34 8.486 8.800 -0.314 2
1 379 . 1 1 A 34 34 ARG HA H 34 4.746 4.280 0.466 2
1 387 . 1 1 A 34 34 ARG C C 34 179.695 177.713 1.983 2
1 388 . 1 1 A 34 34 ARG CA C 34 55.460 56.218 -0.758 2
1 389 . 1 1 A 34 34 ARG CB C 34 29.981 30.518 -0.537 2
1 393 . 1 1 A 34 34 ARG N N 34 116.268 124.324 -8.056 2
1 395 . 1 1 A 35 35 PHE H H 35 8.453 8.346 0.107 2
1 396 . 1 1 A 35 35 PHE HA H 35 4.398 4.216 0.182 2
1 404 . 1 1 A 35 35 PHE C C 35 178.728 178.142 0.587 2
1 405 . 1 1 A 35 35 PHE CA C 35 62.994 61.087 1.907 2
1 406 . 1 1 A 35 35 PHE CB C 35 37.964 38.507 -0.543 2
1 412 . 1 1 A 35 35 PHE N N 35 123.273 122.165 1.108 2
1 413 . 1 1 A 36 36 GLU H H 36 9.540 8.540 1.000 2
1 414 . 1 1 A 36 36 GLU HA H 36 4.357 4.120 0.237 2
1 419 . 1 1 A 36 36 GLU C C 36 178.636 178.406 0.230 2
1 420 . 1 1 A 36 36 GLU CA C 36 59.160 59.967 -0.807 2
1 421 . 1 1 A 36 36 GLU CB C 36 29.610 29.242 0.368 2
1 423 . 1 1 A 36 36 GLU N N 36 117.074 118.968 -1.894 2
1 424 . 1 1 A 37 37 ASP H H 37 7.532 7.780 -0.248 2
1 425 . 1 1 A 37 37 ASP HA H 37 4.811 4.433 0.378 2
1 428 . 1 1 A 37 37 ASP C C 37 177.974 177.632 0.342 2
1 429 . 1 1 A 37 37 ASP CA C 37 56.496 56.427 0.069 2
1 430 . 1 1 A 37 37 ASP CB C 37 41.271 41.019 0.252 2
1 431 . 1 1 A 37 37 ASP N N 37 118.229 119.554 -1.325 2
1 432 . 1 1 A 38 38 ILE H H 38 7.728 7.477 0.251 2
1 433 . 1 1 A 38 38 ILE HA H 38 4.676 4.313 0.363 2
1 443 . 1 1 A 38 38 ILE C C 38 176.102 176.267 -0.165 2
1 444 . 1 1 A 38 38 ILE CA C 38 61.973 60.591 1.382 2
1 445 . 1 1 A 38 38 ILE CB C 38 38.682 37.531 1.151 2
1 449 . 1 1 A 38 38 ILE N N 38 112.806 112.052 0.754 2
1 450 . 1 1 A 39 39 GLY H H 39 7.735 8.003 -0.268 2
1 451 . 1 1 A 39 39 GLY HA2 H 39 4.271 3.994 0.277 2
1 452 . 1 1 A 39 39 GLY HA3 H 39 3.898 4.005 -0.107 2
1 453 . 1 1 A 39 39 GLY C C 39 174.444 174.191 0.253 2
1 454 . 1 1 A 39 39 GLY CA C 39 46.438 46.239 0.199 2
1 455 . 1 1 A 39 39 GLY N N 39 107.120 110.875 -3.755 2
1 456 . 1 1 A 40 40 TYR H H 40 8.081 8.139 -0.058 2
1 457 . 1 1 A 40 40 TYR HA H 40 4.586 4.772 -0.186 2
1 464 . 1 1 A 40 40 TYR C C 40 174.461 175.259 -0.798 2
1 465 . 1 1 A 40 40 TYR CA C 40 58.185 57.458 0.727 2
1 466 . 1 1 A 40 40 TYR CB C 40 40.424 40.206 0.218 2
1 471 . 1 1 A 40 40 TYR N N 40 121.688 118.782 2.906 2
1 472 . 1 1 A 41 41 ASP H H 41 8.040 8.881 -0.841 2
1 473 . 1 1 A 41 41 ASP HA H 41 4.727 4.881 -0.154 2
1 476 . 1 1 A 41 41 ASP C C 41 175.980 177.361 -1.381 2
1 477 . 1 1 A 41 41 ASP CA C 41 52.812 53.982 -1.170 2
1 478 . 1 1 A 41 41 ASP CB C 41 42.068 41.762 0.306 2
1 479 . 1 1 A 41 41 ASP N N 41 124.041 124.914 -0.873 2
1 480 . 1 1 A 42 42 SER H H 42 8.561 9.058 -0.497 2
1 481 . 1 1 A 42 42 SER HA H 42 4.198 4.059 0.139 2
1 484 . 1 1 A 42 42 SER C C 42 176.472 176.700 -0.227 2
1 485 . 1 1 A 42 42 SER CA C 42 62.309 62.128 0.181 2
1 486 . 1 1 A 42 42 SER CB C 42 62.943 62.530 0.413 2
1 487 . 1 1 A 42 42 SER N N 42 114.493 118.446 -3.953 2
1 488 . 1 1 A 43 43 LEU H H 43 7.804 8.087 -0.283 2
1 489 . 1 1 A 43 43 LEU HA H 43 4.270 4.055 0.215 2
1 499 . 1 1 A 43 43 LEU C C 43 179.551 178.325 1.226 2
1 500 . 1 1 A 43 43 LEU CA C 43 58.369 57.993 0.376 2
1 501 . 1 1 A 43 43 LEU CB C 43 41.057 41.711 -0.654 2
1 505 . 1 1 A 43 43 LEU N N 43 122.459 124.300 -1.841 2
1 506 . 1 1 A 44 44 ALA H H 44 8.064 8.268 -0.204 2
1 507 . 1 1 A 44 44 ALA HA H 44 4.334 4.009 0.325 2
1 511 . 1 1 A 44 44 ALA C C 44 181.733 179.949 1.784 2
1 512 . 1 1 A 44 44 ALA CA C 44 54.987 55.163 -0.176 2
1 513 . 1 1 A 44 44 ALA CB C 44 18.500 18.233 0.267 2
1 514 . 1 1 A 44 44 ALA N N 44 123.223 120.861 2.362 2
1 515 . 1 1 A 45 45 LEU H H 45 8.422 8.347 0.075 2
1 516 . 1 1 A 45 45 LEU HA H 45 3.907 4.118 -0.211 2
1 526 . 1 1 A 45 45 LEU C C 45 178.613 178.772 -0.159 2
1 527 . 1 1 A 45 45 LEU CA C 45 58.419 57.734 0.685 2
1 528 . 1 1 A 45 45 LEU CB C 45 41.643 41.466 0.177 2
1 532 . 1 1 A 45 45 LEU N N 45 121.714 120.225 1.489 2
1 533 . 1 1 A 46 46 MET H H 46 8.344 8.472 -0.128 2
1 534 . 1 1 A 46 46 MET HA H 46 4.259 4.060 0.199 2
1 539 . 1 1 A 46 46 MET C C 46 179.856 178.435 1.421 2
1 540 . 1 1 A 46 46 MET CA C 46 58.769 58.729 0.040 2
1 541 . 1 1 A 46 46 MET CB C 46 32.022 32.318 -0.296 2
1 543 . 1 1 A 46 46 MET N N 46 119.039 117.064 1.975 2
1 544 . 1 1 A 47 47 GLU H H 47 8.414 8.125 0.289 2
1 545 . 1 1 A 47 47 GLU HA H 47 4.257 4.078 0.179 2
1 550 . 1 1 A 47 47 GLU C C 47 179.208 179.338 -0.130 2
1 551 . 1 1 A 47 47 GLU CA C 47 59.504 59.222 0.282 2
1 552 . 1 1 A 47 47 GLU CB C 47 29.229 29.278 -0.049 2
1 554 . 1 1 A 47 47 GLU N N 47 121.231 120.817 0.414 2
1 555 . 1 1 A 48 48 THR H H 48 8.329 7.779 0.550 2
1 556 . 1 1 A 48 48 THR HA H 48 3.962 4.138 -0.176 2
1 561 . 1 1 A 48 48 THR C C 48 176.334 176.382 -0.048 2
1 562 . 1 1 A 48 48 THR CA C 48 67.882 66.643 1.239 2
1 563 . 1 1 A 48 48 THR CB C 48 68.478 68.713 -0.236 2
1 565 . 1 1 A 48 48 THR N N 48 118.600 117.041 1.559 2
1 566 . 1 1 A 49 49 ALA H H 49 8.756 8.455 0.301 2
1 567 . 1 1 A 49 49 ALA HA H 49 3.963 3.949 0.014 2
1 571 . 1 1 A 49 49 ALA C C 49 178.615 179.356 -0.741 2
1 572 . 1 1 A 49 49 ALA CA C 49 56.227 55.446 0.781 2
1 573 . 1 1 A 49 49 ALA CB C 49 17.499 17.949 -0.450 2
1 574 . 1 1 A 49 49 ALA N N 49 123.599 122.929 0.670 2
1 575 . 1 1 A 50 50 ALA H H 50 8.191 8.421 -0.230 2
1 576 . 1 1 A 50 50 ALA HA H 50 4.281 4.252 0.029 2
1 580 . 1 1 A 50 50 ALA C C 50 181.272 180.296 0.976 2
1 581 . 1 1 A 50 50 ALA CA C 50 55.488 55.246 0.242 2
1 582 . 1 1 A 50 50 ALA CB C 50 18.107 18.468 -0.361 2
1 583 . 1 1 A 50 50 ALA N N 50 119.558 120.241 -0.683 2
1 584 . 1 1 A 51 51 ARG H H 51 8.146 7.941 0.204 2
1 585 . 1 1 A 51 51 ARG HA H 51 4.257 4.062 0.195 2
1 593 . 1 1 A 51 51 ARG C C 51 179.815 178.620 1.195 2
1 594 . 1 1 A 51 51 ARG CA C 51 59.591 59.175 0.416 2
1 595 . 1 1 A 51 51 ARG CB C 51 30.400 29.924 0.476 2
1 599 . 1 1 A 51 51 ARG N N 51 119.722 118.576 1.146 2
1 601 . 1 1 A 52 52 LEU H H 52 8.432 8.134 0.298 2
1 602 . 1 1 A 52 52 LEU HA H 52 4.330 4.137 0.193 2
1 612 . 1 1 A 52 52 LEU C C 52 179.152 179.313 -0.161 2
1 613 . 1 1 A 52 52 LEU CA C 52 58.139 58.171 -0.032 2
1 614 . 1 1 A 52 52 LEU CB C 52 42.615 41.261 1.354 2
1 618 . 1 1 A 52 52 LEU N N 52 120.470 119.807 0.663 2
1 619 . 1 1 A 53 53 GLU H H 53 8.989 8.743 0.246 2
1 620 . 1 1 A 53 53 GLU HA H 53 4.105 4.033 0.072 2
1 625 . 1 1 A 53 53 GLU C C 53 179.370 178.932 0.438 2
1 626 . 1 1 A 53 53 GLU CA C 53 60.145 59.803 0.342 2
1 627 . 1 1 A 53 53 GLU CB C 53 29.184 29.356 -0.172 2
1 629 . 1 1 A 53 53 GLU N N 53 119.668 118.832 0.836 2
1 630 . 1 1 A 54 54 SER H H 54 8.028 8.169 -0.141 2
1 631 . 1 1 A 54 54 SER HA H 54 4.392 4.144 0.248 2
1 634 . 1 1 A 54 54 SER C C 54 176.891 176.680 0.210 2
1 635 . 1 1 A 54 54 SER CA C 54 61.162 61.609 -0.447 2
1 636 . 1 1 A 54 54 SER CB C 54 63.222 62.856 0.366 2
1 637 . 1 1 A 54 54 SER N N 54 112.842 116.104 -3.262 2
1 638 . 1 1 A 55 55 ARG H H 55 8.070 8.249 -0.179 2
1 639 . 1 1 A 55 55 ARG HA H 55 4.111 3.938 0.173 2
1 647 . 1 1 A 55 55 ARG C C 55 177.830 177.585 0.245 2
1 648 . 1 1 A 55 55 ARG CA C 55 58.824 58.878 -0.054 2
1 649 . 1 1 A 55 55 ARG CB C 55 30.829 29.701 1.128 2
1 653 . 1 1 A 55 55 ARG N N 55 120.550 121.654 -1.104 2
1 655 . 1 1 A 56 56 TYR H H 56 8.171 7.842 0.329 2
1 656 . 1 1 A 56 56 TYR HA H 56 4.685 4.654 0.031 2
1 663 . 1 1 A 56 56 TYR C C 56 176.027 175.780 0.247 2
1 664 . 1 1 A 56 56 TYR CA C 56 59.110 57.819 1.291 2
1 665 . 1 1 A 56 56 TYR CB C 56 39.339 38.789 0.550 2
1 670 . 1 1 A 56 56 TYR N N 56 113.561 114.971 -1.409 2
1 671 . 1 1 A 57 57 GLY H H 57 7.998 8.178 -0.180 2
1 672 . 1 1 A 57 57 GLY HA2 H 57 4.105 3.979 0.126 2
1 673 . 1 1 A 57 57 GLY HA3 H 57 4.105 3.987 0.118 2
1 674 . 1 1 A 57 57 GLY C C 57 174.600 173.876 0.724 2
1 675 . 1 1 A 57 57 GLY CA C 57 47.349 46.893 0.456 2
1 676 . 1 1 A 57 57 GLY N N 57 109.470 109.983 -0.513 2
1 677 . 1 1 A 58 58 VAL H H 58 7.515 7.705 -0.190 2
1 678 . 1 1 A 58 58 VAL HA H 58 4.694 4.753 -0.059 2
1 686 . 1 1 A 58 58 VAL C C 58 174.016 173.914 0.102 2
1 687 . 1 1 A 58 58 VAL CA C 58 59.282 59.675 -0.393 2
1 688 . 1 1 A 58 58 VAL CB C 58 34.791 35.184 -0.393 2
1 691 . 1 1 A 58 58 VAL N N 58 112.406 119.187 -6.781 2
1 692 . 1 1 A 59 59 SER H H 59 8.489 8.805 -0.316 2
1 693 . 1 1 A 59 59 SER HA H 59 4.847 5.379 -0.532 2
1 696 . 1 1 A 59 59 SER C C 59 173.643 173.305 0.338 2
1 697 . 1 1 A 59 59 SER CA C 59 57.213 57.255 -0.042 2
1 698 . 1 1 A 59 59 SER CB C 59 64.285 65.045 -0.760 2
1 699 . 1 1 A 59 59 SER N N 59 116.724 119.983 -3.258 2
1 700 . 1 1 A 60 60 ILE H H 60 8.224 9.445 -1.221 2
1 701 . 1 1 A 60 60 ILE HA H 60 4.676 4.618 0.058 2
1 711 . 1 1 A 60 60 ILE CA C 60 57.702 57.659 0.043 2
1 712 . 1 1 A 60 60 ILE CB C 60 40.520 39.942 0.578 2
1 716 . 1 1 A 60 60 ILE N N 60 125.582 126.091 -0.510 2
1 717 . 1 1 A 61 61 PRO HA H 61 4.543 4.597 -0.054 2
1 724 . 1 1 A 61 61 PRO C C 61 177.547 177.441 0.106 2
1 725 . 1 1 A 61 61 PRO CA C 61 63.523 63.103 0.420 2
1 726 . 1 1 A 61 61 PRO CB C 61 32.704 31.895 0.809 2
1 729 . 1 1 A 62 62 ASP H H 62 8.857 8.715 0.142 2
1 730 . 1 1 A 62 62 ASP HA H 62 4.447 4.291 0.156 2
1 733 . 1 1 A 62 62 ASP C C 62 177.504 178.038 -0.534 2
1 734 . 1 1 A 62 62 ASP CA C 62 57.105 57.406 -0.301 2
1 735 . 1 1 A 62 62 ASP CB C 62 40.668 40.361 0.307 2
1 736 . 1 1 A 62 62 ASP N N 62 123.624 123.775 -0.151 2
1 737 . 1 1 A 63 63 ASP H H 63 8.691 8.103 0.588 2
1 738 . 1 1 A 63 63 ASP HA H 63 4.508 4.426 0.082 2
1 741 . 1 1 A 63 63 ASP C C 63 177.468 178.652 -1.184 2
1 742 . 1 1 A 63 63 ASP CA C 63 55.267 57.148 -1.881 2
1 743 . 1 1 A 63 63 ASP CB C 63 39.691 41.028 -1.337 2
1 744 . 1 1 A 63 63 ASP N N 63 116.744 119.728 -2.984 2
1 745 . 1 1 A 64 64 VAL H H 64 7.388 7.707 -0.319 2
1 746 . 1 1 A 64 64 VAL HA H 64 3.789 3.585 0.204 2
1 754 . 1 1 A 64 64 VAL C C 64 177.793 178.061 -0.268 2
1 755 . 1 1 A 64 64 VAL CA C 64 65.251 66.329 -1.078 2
1 756 . 1 1 A 64 64 VAL CB C 64 32.347 31.428 0.919 2
1 759 . 1 1 A 64 64 VAL N N 64 119.303 119.906 -0.603 2
1 760 . 1 1 A 65 65 ALA H H 65 8.212 8.268 -0.056 2
1 761 . 1 1 A 65 65 ALA HA H 65 3.967 4.040 -0.073 2
1 765 . 1 1 A 65 65 ALA C C 65 178.005 178.979 -0.974 2
1 766 . 1 1 A 65 65 ALA CA C 65 55.196 55.117 0.079 2
1 767 . 1 1 A 65 65 ALA CB C 65 18.373 18.402 -0.029 2
1 768 . 1 1 A 65 65 ALA N N 65 122.060 121.570 0.490 2
1 769 . 1 1 A 66 66 GLY H H 66 7.995 7.973 0.022 2
1 770 . 1 1 A 66 66 GLY HA2 H 66 4.133 3.966 0.167 2
1 771 . 1 1 A 66 66 GLY HA3 H 66 3.912 3.982 -0.070 2
1 772 . 1 1 A 66 66 GLY C C 66 174.615 174.737 -0.122 2
1 773 . 1 1 A 66 66 GLY CA C 66 45.925 45.490 0.435 2
1 774 . 1 1 A 66 66 GLY N N 66 99.445 105.169 -5.724 2
1 775 . 1 1 A 67 67 ARG H H 67 7.478 7.988 -0.510 2
1 776 . 1 1 A 67 67 ARG HA H 67 4.659 4.417 0.242 2
1 784 . 1 1 A 67 67 ARG C C 67 176.470 175.912 0.558 2
1 785 . 1 1 A 67 67 ARG CA C 67 55.647 56.877 -1.230 2
1 786 . 1 1 A 67 67 ARG CB C 67 31.843 30.972 0.871 2
1 790 . 1 1 A 67 67 ARG N N 67 116.761 119.557 -2.796 2
1 792 . 1 1 A 68 68 VAL H H 68 7.244 7.144 0.100 2
1 793 . 1 1 A 68 68 VAL HA H 68 4.437 4.173 0.264 2
1 801 . 1 1 A 68 68 VAL C C 68 175.250 175.613 -0.363 2
1 802 . 1 1 A 68 68 VAL CA C 68 61.919 61.847 0.072 2
1 803 . 1 1 A 68 68 VAL CB C 68 33.329 31.951 1.378 2
1 806 . 1 1 A 68 68 VAL N N 68 114.725 116.953 -2.228 2
1 807 . 1 1 A 69 69 ASP H H 69 9.180 9.094 0.086 2
1 808 . 1 1 A 69 69 ASP HA H 69 5.272 4.867 0.405 2
1 811 . 1 1 A 69 69 ASP C C 69 177.035 176.081 0.954 2
1 812 . 1 1 A 69 69 ASP CA C 69 55.862 55.981 -0.119 2
1 813 . 1 1 A 69 69 ASP CB C 69 44.421 42.558 1.863 2
1 814 . 1 1 A 69 69 ASP N N 69 120.929 125.863 -4.934 2
1 815 . 1 1 A 70 70 THR H H 70 7.490 7.678 -0.188 2
1 816 . 1 1 A 70 70 THR HA H 70 4.969 4.359 0.610 2
1 821 . 1 1 A 70 70 THR CA C 70 57.776 58.256 -0.480 2
1 822 . 1 1 A 70 70 THR CB C 70 71.416 70.204 1.212 2
1 824 . 1 1 A 70 70 THR N N 70 107.879 109.211 -1.332 2
1 825 . 1 1 A 71 71 PRO HA H 71 4.247 4.312 -0.065 2
1 832 . 1 1 A 71 71 PRO C C 71 177.413 178.010 -0.597 2
1 833 . 1 1 A 71 71 PRO CA C 71 65.812 65.277 0.535 2
1 834 . 1 1 A 71 71 PRO CB C 71 32.647 31.422 1.225 2
1 837 . 1 1 A 72 72 ARG H H 72 9.000 8.307 0.693 2
1 838 . 1 1 A 72 72 ARG HA H 72 3.619 3.978 -0.359 2
1 850 . 1 1 A 72 72 ARG C C 72 177.530 178.719 -1.188 2
1 851 . 1 1 A 72 72 ARG CA C 72 60.211 59.038 1.173 2
1 852 . 1 1 A 72 72 ARG CB C 72 30.433 29.890 0.543 2
1 856 . 1 1 A 72 72 ARG N N 72 117.747 117.115 0.632 2
1 860 . 1 1 A 73 73 GLU H H 73 7.840 7.838 0.002 2
1 861 . 1 1 A 73 73 GLU HA H 73 4.245 4.043 0.202 2
1 866 . 1 1 A 73 73 GLU C C 73 180.139 179.209 0.930 2
1 867 . 1 1 A 73 73 GLU CA C 73 59.071 58.728 0.343 2
1 868 . 1 1 A 73 73 GLU CB C 73 30.230 29.570 0.660 2
1 870 . 1 1 A 73 73 GLU N N 73 116.639 119.011 -2.372 2
1 871 . 1 1 A 74 74 LEU H H 74 7.693 7.671 0.022 2
1 872 . 1 1 A 74 74 LEU HA H 74 4.324 4.073 0.251 2
1 882 . 1 1 A 74 74 LEU C C 74 177.000 178.175 -1.175 2
1 883 . 1 1 A 74 74 LEU CA C 74 58.123 58.107 0.016 2
1 884 . 1 1 A 74 74 LEU CB C 74 42.242 41.680 0.562 2
1 888 . 1 1 A 74 74 LEU N N 74 120.218 121.978 -1.760 2
1 889 . 1 1 A 75 75 LEU H H 75 8.731 8.415 0.316 2
1 890 . 1 1 A 75 75 LEU HA H 75 3.904 3.943 -0.039 2
1 900 . 1 1 A 75 75 LEU C C 75 178.122 177.977 0.145 2
1 901 . 1 1 A 75 75 LEU CA C 75 58.462 58.316 0.146 2
1 902 . 1 1 A 75 75 LEU CB C 75 42.400 41.262 1.138 2
1 906 . 1 1 A 75 75 LEU N N 75 121.211 119.724 1.487 2
1 907 . 1 1 A 76 76 ASP H H 76 8.703 8.254 0.449 2
1 908 . 1 1 A 76 76 ASP HA H 76 4.497 4.262 0.235 2
1 911 . 1 1 A 76 76 ASP C C 76 180.101 178.298 1.804 2
1 912 . 1 1 A 76 76 ASP CA C 76 57.325 57.736 -0.411 2
1 913 . 1 1 A 76 76 ASP CB C 76 39.936 41.633 -1.697 2
1 914 . 1 1 A 76 76 ASP N N 76 117.466 118.794 -1.328 2
1 915 . 1 1 A 77 77 LEU H H 77 8.019 8.004 0.015 2
1 916 . 1 1 A 77 77 LEU HA H 77 4.282 4.027 0.255 2
1 926 . 1 1 A 77 77 LEU C C 77 179.840 178.515 1.325 2
1 927 . 1 1 A 77 77 LEU CA C 77 58.417 58.484 -0.067 2
1 928 . 1 1 A 77 77 LEU CB C 77 42.856 41.710 1.146 2
1 932 . 1 1 A 77 77 LEU N N 77 122.891 120.134 2.757 2
1 933 . 1 1 A 78 78 ILE H H 78 8.281 8.095 0.186 2
1 934 . 1 1 A 78 78 ILE HA H 78 3.756 3.560 0.196 2
1 944 . 1 1 A 78 78 ILE C C 78 177.655 178.095 -0.440 2
1 945 . 1 1 A 78 78 ILE CA C 78 64.638 64.909 -0.271 2
1 946 . 1 1 A 78 78 ILE CB C 78 37.325 37.142 0.183 2
1 950 . 1 1 A 78 78 ILE N N 78 119.758 119.660 0.098 2
1 951 . 1 1 A 79 79 ASN H H 79 8.880 8.958 -0.078 2
1 952 . 1 1 A 79 79 ASN HA H 79 4.918 4.394 0.524 2
1 957 . 1 1 A 79 79 ASN C C 79 179.481 179.044 0.437 2
1 958 . 1 1 A 79 79 ASN CA C 79 55.446 56.198 -0.752 2
1 959 . 1 1 A 79 79 ASN CB C 79 37.299 37.756 -0.457 2
1 960 . 1 1 A 79 79 ASN N N 79 117.848 118.998 -1.150 2
1 962 . 1 1 A 80 80 GLY H H 80 8.441 8.585 -0.144 2
1 963 . 1 1 A 80 80 GLY HA2 H 80 4.036 3.807 0.229 2
1 964 . 1 1 A 80 80 GLY HA3 H 80 4.036 3.809 0.227 2
1 965 . 1 1 A 80 80 GLY C C 80 175.746 176.292 -0.546 2
1 966 . 1 1 A 80 80 GLY CA C 80 47.065 47.071 -0.006 2
1 967 . 1 1 A 80 80 GLY N N 80 110.120 108.937 1.183 2
1 968 . 1 1 A 81 81 ALA H H 81 7.604 7.875 -0.271 2
1 969 . 1 1 A 81 81 ALA HA H 81 4.467 3.979 0.488 2
1 973 . 1 1 A 81 81 ALA C C 81 180.565 180.145 0.420 2
1 974 . 1 1 A 81 81 ALA CA C 81 54.298 54.651 -0.353 2
1 975 . 1 1 A 81 81 ALA CB C 81 18.530 18.506 0.024 2
1 976 . 1 1 A 81 81 ALA N N 81 124.070 125.228 -1.158 2
1 977 . 1 1 A 82 82 LEU H H 82 8.299 8.535 -0.236 2
1 978 . 1 1 A 82 82 LEU HA H 82 4.219 4.024 0.196 2
1 988 . 1 1 A 82 82 LEU C C 82 178.837 179.237 -0.399 2
1 989 . 1 1 A 82 82 LEU CA C 82 56.967 57.650 -0.683 2
1 990 . 1 1 A 82 82 LEU CB C 82 42.610 41.124 1.486 2
1 994 . 1 1 A 82 82 LEU N N 82 119.823 119.567 0.256 2
1 995 . 1 1 A 83 83 ALA H H 83 7.964 8.022 -0.058 2
1 996 . 1 1 A 83 83 ALA HA H 83 4.298 4.037 0.261 2
1 1000 . 1 1 A 83 83 ALA C C 83 178.739 178.968 -0.229 2
1 1001 . 1 1 A 83 83 ALA CA C 83 53.965 54.852 -0.887 2
1 1002 . 1 1 A 83 83 ALA CB C 83 18.917 18.182 0.735 2
1 1003 . 1 1 A 83 83 ALA N N 83 121.306 121.906 -0.600 2
1 1004 . 1 1 A 84 84 GLU H H 84 7.746 7.801 -0.055 2
1 1005 . 1 1 A 84 84 GLU HA H 84 4.396 4.302 0.094 2
1 1010 . 1 1 A 84 84 GLU C C 84 176.347 177.027 -0.680 2
1 1011 . 1 1 A 84 84 GLU CA C 84 56.739 57.496 -0.757 2
1 1012 . 1 1 A 84 84 GLU CB C 84 30.126 29.921 0.205 2
1 1014 . 1 1 A 84 84 GLU N N 84 117.080 115.881 1.199 2
1 1015 . 1 1 A 85 85 ALA H H 85 7.832 7.626 0.206 2
1 1016 . 1 1 A 85 85 ALA HA H 85 4.485 4.402 0.083 2
1 1020 . 1 1 A 85 85 ALA C C 85 176.564 176.678 -0.114 2
1 1021 . 1 1 A 85 85 ALA CA C 85 52.485 51.846 0.639 2
1 1022 . 1 1 A 85 85 ALA CB C 85 19.529 19.443 0.086 2
1 1023 . 1 1 A 85 85 ALA N N 85 124.010 122.531 1.479 2
stop_
save_