data_15784_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15784
_Entry.PDB_ID 2BA3
_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 6 . 1 1 1 A 2 2 ASP HA H 2 4.569 5.249 -0.680 1
1 9 . 1 1 1 A 2 2 ASP C C 2 176.530 173.940 2.590 1
1 10 . 1 1 1 A 2 2 ASP CA C 2 54.589 53.300 1.289 1
1 11 . 1 1 1 A 2 2 ASP CB C 2 41.462 44.124 -2.662 1
1 12 . 1 1 1 A 3 3 SER H H 3 8.267 8.390 -0.123 1
1 13 . 1 1 1 A 3 3 SER HA H 3 4.276 4.931 -0.655 1
1 16 . 1 1 1 A 3 3 SER C C 3 174.667 174.058 0.609 1
1 17 . 1 1 1 A 3 3 SER CA C 3 58.605 57.551 1.054 1
1 18 . 1 1 1 A 3 3 SER CB C 3 63.763 67.549 -3.786 1
1 19 . 1 1 1 A 3 3 SER N N 3 116.529 114.652 1.877 1
1 20 . 1 1 1 A 4 4 ALA H H 4 8.196 8.940 -0.744 1
1 21 . 1 1 1 A 4 4 ALA HA H 4 4.179 4.062 0.117 1
1 25 . 1 1 1 A 4 4 ALA C C 4 178.021 179.341 -1.320 1
1 26 . 1 1 1 A 4 4 ALA CA C 4 52.977 55.626 -2.649 1
1 27 . 1 1 1 A 4 4 ALA CB C 4 19.202 18.594 0.608 1
1 28 . 1 1 1 A 4 4 ALA N N 4 125.751 124.930 0.821 1
1 29 . 1 1 1 A 5 5 VAL H H 5 7.811 7.825 -0.014 1
1 30 . 1 1 1 A 5 5 VAL HA H 5 3.912 4.060 -0.148 1
1 38 . 1 1 1 A 5 5 VAL C C 5 176.344 175.989 0.355 1
1 39 . 1 1 1 A 5 5 VAL CA C 5 62.506 63.380 -0.874 1
1 40 . 1 1 1 A 5 5 VAL CB C 5 32.588 31.892 0.696 1
1 43 . 1 1 1 A 5 5 VAL N N 5 118.872 113.230 5.642 1
1 44 . 1 1 1 A 6 6 ARG H H 6 8.146 7.811 0.335 1
1 45 . 1 1 1 A 6 6 ARG HA H 6 4.195 4.607 -0.412 1
1 50 . 1 1 1 A 6 6 ARG C C 6 176.344 174.761 1.583 1
1 51 . 1 1 1 A 6 6 ARG CA C 6 56.173 55.021 1.152 1
1 52 . 1 1 1 A 6 6 ARG CB C 6 30.859 30.866 -0.007 1
1 54 . 1 1 1 A 6 6 ARG N N 6 124.824 120.963 3.861 1
1 55 . 1 1 1 A 7 7 LYS H H 7 8.207 8.878 -0.671 1
1 56 . 1 1 1 A 7 7 LYS C C 7 176.792 176.542 0.250 1
1 57 . 1 1 1 A 7 7 LYS N N 7 123.109 125.628 -2.519 1
1 58 . 1 1 1 A 8 8 LYS H H 8 8.258 8.140 0.118 1
1 59 . 1 1 1 A 8 8 LYS C C 8 176.903 177.915 -1.012 1
1 60 . 1 1 1 A 8 8 LYS N N 8 122.855 119.978 2.877 1
1 61 . 1 1 1 A 9 9 SER H H 9 8.197 7.874 0.323 1
1 62 . 1 1 1 A 9 9 SER HA H 9 4.243 4.201 0.042 1
1 65 . 1 1 1 A 9 9 SER C C 9 174.667 174.179 0.488 1
1 66 . 1 1 1 A 9 9 SER CA C 9 58.831 61.141 -2.310 1
1 67 . 1 1 1 A 9 9 SER CB C 9 63.763 63.157 0.606 1
1 68 . 1 1 1 A 9 9 SER N N 9 116.772 113.924 2.848 1
1 69 . 1 1 1 A 10 10 GLU H H 10 8.280 7.801 0.479 1
1 70 . 1 1 1 A 10 10 GLU HA H 10 4.201 4.746 -0.545 1
1 73 . 1 1 1 A 10 10 GLU C C 10 176.530 174.698 1.832 1
1 74 . 1 1 1 A 10 10 GLU CA C 10 56.610 55.830 0.780 1
1 75 . 1 1 1 A 10 10 GLU CB C 10 30.511 32.961 -2.450 1
1 76 . 1 1 1 A 10 10 GLU N N 10 123.218 118.617 4.601 1
1 77 . 1 1 1 A 11 11 VAL H H 11 8.032 8.439 -0.407 1
1 78 . 1 1 1 A 11 11 VAL HA H 11 3.888 4.273 -0.385 1
1 86 . 1 1 1 A 11 11 VAL C C 11 176.344 176.057 0.287 1
1 87 . 1 1 1 A 11 11 VAL CA C 11 62.778 62.953 -0.175 1
1 88 . 1 1 1 A 11 11 VAL CB C 11 32.229 33.208 -0.979 1
1 91 . 1 1 1 A 11 11 VAL N N 11 121.505 122.481 -0.976 1
1 92 . 1 1 1 A 12 12 ARG H H 12 8.269 7.924 0.345 1
1 93 . 1 1 1 A 12 12 ARG HA H 12 4.195 4.745 -0.550 1
1 98 . 1 1 1 A 12 12 ARG C C 12 176.344 174.521 1.823 1
1 99 . 1 1 1 A 12 12 ARG CA C 12 56.173 54.370 1.803 1
1 100 . 1 1 1 A 12 12 ARG CB C 12 30.859 33.531 -2.672 1
1 102 . 1 1 1 A 12 12 ARG N N 12 124.717 115.307 9.410 1
1 103 . 1 1 1 A 13 13 GLN H H 13 8.246 8.527 -0.281 1
1 104 . 1 1 1 A 13 13 GLN HA H 13 4.208 4.348 -0.140 1
1 111 . 1 1 1 A 13 13 GLN C C 13 175.971 176.892 -0.921 1
1 112 . 1 1 1 A 13 13 GLN CA C 13 55.916 54.900 1.016 1
1 113 . 1 1 1 A 13 13 GLN CB C 13 29.864 27.470 2.394 1
1 115 . 1 1 1 A 13 13 GLN N N 13 121.386 121.014 0.372 1
1 117 . 1 1 1 A 14 14 LYS H H 14 8.276 8.141 0.135 1
1 118 . 1 1 1 A 14 14 LYS HA H 14 4.149 4.031 0.118 1
1 127 . 1 1 1 A 14 14 LYS C C 14 175.971 176.784 -0.813 1
1 128 . 1 1 1 A 14 14 LYS CA C 14 56.518 59.205 -2.687 1
1 129 . 1 1 1 A 14 14 LYS CB C 14 33.073 32.158 0.915 1
1 133 . 1 1 1 A 14 14 LYS N N 14 123.021 123.950 -0.929 1
1 134 . 1 1 1 A 15 15 THR H H 15 7.720 7.586 0.134 1
1 135 . 1 1 1 A 15 15 THR HA H 15 4.225 4.342 -0.117 1
1 140 . 1 1 1 A 15 15 THR C C 15 173.801 174.140 -0.339 1
1 141 . 1 1 1 A 15 15 THR CA C 15 62.211 62.503 -0.292 1
1 142 . 1 1 1 A 15 15 THR CB C 15 70.979 69.762 1.217 1
1 144 . 1 1 1 A 15 15 THR N N 15 114.171 115.693 -1.522 1
1 145 . 1 1 1 A 16 16 VAL H H 16 9.143 8.585 0.558 1
1 146 . 1 1 1 A 16 16 VAL HA H 16 4.004 4.465 -0.461 1
1 154 . 1 1 1 A 16 16 VAL C C 16 174.853 174.370 0.483 1
1 155 . 1 1 1 A 16 16 VAL CA C 16 62.452 61.538 0.914 1
1 156 . 1 1 1 A 16 16 VAL CB C 16 33.361 33.170 0.191 1
1 159 . 1 1 1 A 16 16 VAL N N 16 126.087 126.478 -0.391 1
1 160 . 1 1 1 A 17 17 VAL H H 17 8.364 8.841 -0.477 1
1 161 . 1 1 1 A 17 17 VAL HA H 17 4.653 4.906 -0.253 1
1 169 . 1 1 1 A 17 17 VAL C C 17 176.716 174.029 2.687 1
1 170 . 1 1 1 A 17 17 VAL CA C 17 61.419 60.034 1.385 1
1 171 . 1 1 1 A 17 17 VAL CB C 17 33.022 34.524 -1.502 1
1 174 . 1 1 1 A 17 17 VAL N N 17 127.119 127.950 -0.831 1
1 175 . 1 1 1 A 18 18 ARG H H 18 9.038 8.901 0.137 1
1 176 . 1 1 1 A 18 18 ARG HA H 18 4.669 4.890 -0.221 1
1 181 . 1 1 1 A 18 18 ARG C C 18 174.480 174.418 0.062 1
1 182 . 1 1 1 A 18 18 ARG CA C 18 54.148 54.360 -0.212 1
1 183 . 1 1 1 A 18 18 ARG CB C 18 33.202 34.486 -1.284 1
1 185 . 1 1 1 A 18 18 ARG N N 18 126.432 130.028 -3.596 1
1 186 . 1 1 1 A 19 19 THR H H 19 8.536 8.727 -0.191 1
1 187 . 1 1 1 A 19 19 THR HA H 19 4.727 4.766 -0.039 1
1 192 . 1 1 1 A 19 19 THR C C 19 173.644 173.335 0.309 1
1 193 . 1 1 1 A 19 19 THR CA C 19 62.000 62.500 -0.500 1
1 194 . 1 1 1 A 19 19 THR CB C 19 69.919 69.398 0.521 1
1 196 . 1 1 1 A 19 19 THR N N 19 118.670 120.584 -1.914 1
1 197 . 1 1 1 A 20 20 LEU H H 20 8.972 8.986 -0.014 1
1 198 . 1 1 1 A 20 20 LEU HA H 20 4.430 5.050 -0.620 1
1 208 . 1 1 1 A 20 20 LEU C C 20 174.294 174.933 -0.639 1
1 209 . 1 1 1 A 20 20 LEU CA C 20 52.892 53.729 -0.837 1
1 210 . 1 1 1 A 20 20 LEU CB C 20 45.825 45.230 0.595 1
1 214 . 1 1 1 A 20 20 LEU N N 20 128.320 129.692 -1.372 1
1 215 . 1 1 1 A 21 21 ARG H H 21 7.938 8.538 -0.600 1
1 216 . 1 1 1 A 21 21 ARG HA H 21 4.945 5.167 -0.222 1
1 223 . 1 1 1 A 21 21 ARG C C 21 175.333 174.520 0.813 1
1 224 . 1 1 1 A 21 21 ARG CA C 21 54.721 53.764 0.957 1
1 225 . 1 1 1 A 21 21 ARG CB C 21 32.512 34.254 -1.742 1
1 228 . 1 1 1 A 21 21 ARG N N 21 119.462 124.924 -5.462 1
1 229 . 1 1 1 A 22 22 PHE H H 22 9.021 8.925 0.096 1
1 230 . 1 1 1 A 22 22 PHE HA H 22 4.777 5.032 -0.255 1
1 238 . 1 1 1 A 22 22 PHE C C 22 175.039 174.729 0.310 1
1 239 . 1 1 1 A 22 22 PHE CA C 22 56.549 56.621 -0.072 1
1 240 . 1 1 1 A 22 22 PHE CB C 22 43.356 43.425 -0.069 1
1 246 . 1 1 1 A 22 22 PHE N N 22 120.286 119.008 1.278 1
1 247 . 1 1 1 A 23 23 SER H H 23 9.411 8.955 0.456 1
1 248 . 1 1 1 A 23 23 SER HA H 23 4.937 4.801 0.136 1
1 249 . 1 1 1 A 23 23 SER C C 23 177.544 174.745 2.799 1
1 250 . 1 1 1 A 23 23 SER CA C 23 56.727 57.020 -0.293 1
1 251 . 1 1 1 A 23 23 SER N N 23 119.420 119.026 0.394 1
1 252 . 1 1 1 A 24 24 PRO HA H 24 4.095 4.312 -0.217 1
1 259 . 1 1 1 A 24 24 PRO C C 24 179.325 178.856 0.469 1
1 260 . 1 1 1 A 24 24 PRO CA C 24 66.570 65.390 1.180 1
1 261 . 1 1 1 A 24 24 PRO CB C 24 31.862 31.776 0.086 1
1 264 . 1 1 1 A 25 25 VAL H H 25 7.563 7.425 0.138 1
1 265 . 1 1 1 A 25 25 VAL HA H 25 3.779 3.743 0.036 1
1 273 . 1 1 1 A 25 25 VAL C C 25 178.846 177.916 0.930 1
1 274 . 1 1 1 A 25 25 VAL CA C 25 65.693 65.859 -0.166 1
1 275 . 1 1 1 A 25 25 VAL CB C 25 32.040 31.646 0.394 1
1 278 . 1 1 1 A 25 25 VAL N N 25 116.405 116.542 -0.137 1
1 279 . 1 1 1 A 26 26 GLU H H 26 7.512 8.648 -1.136 1
1 280 . 1 1 1 A 26 26 GLU HA H 26 3.838 3.959 -0.121 1
1 285 . 1 1 1 A 26 26 GLU C C 26 178.766 178.672 0.094 1
1 286 . 1 1 1 A 26 26 GLU CA C 26 58.902 60.633 -1.731 1
1 287 . 1 1 1 A 26 26 GLU CB C 26 30.798 29.311 1.487 1
1 289 . 1 1 1 A 26 26 GLU N N 26 122.557 118.867 3.690 1
1 290 . 1 1 1 A 27 27 ASP H H 27 8.669 8.242 0.427 1
1 291 . 1 1 1 A 27 27 ASP HA H 27 3.900 4.240 -0.340 1
1 294 . 1 1 1 A 27 27 ASP C C 27 177.586 178.255 -0.669 1
1 295 . 1 1 1 A 27 27 ASP CA C 27 57.954 57.581 0.373 1
1 296 . 1 1 1 A 27 27 ASP CB C 27 43.617 41.220 2.397 1
1 297 . 1 1 1 A 27 27 ASP N N 27 118.012 119.435 -1.423 1
1 298 . 1 1 1 A 28 28 GLU H H 28 7.875 8.143 -0.268 1
1 299 . 1 1 1 A 28 28 GLU HA H 28 3.738 3.983 -0.245 1
1 302 . 1 1 1 A 28 28 GLU C C 28 178.837 178.706 0.131 1
1 303 . 1 1 1 A 28 28 GLU CA C 28 59.710 59.290 0.420 1
1 304 . 1 1 1 A 28 28 GLU CB C 28 29.550 29.658 -0.108 1
1 305 . 1 1 1 A 28 28 GLU N N 28 118.040 119.381 -1.341 1
1 306 . 1 1 1 A 29 29 THR H H 29 7.662 8.085 -0.423 1
1 307 . 1 1 1 A 29 29 THR HA H 29 3.739 3.939 -0.200 1
1 312 . 1 1 1 A 29 29 THR C C 29 176.344 176.284 0.060 1
1 313 . 1 1 1 A 29 29 THR CA C 29 66.756 67.374 -0.618 1
1 314 . 1 1 1 A 29 29 THR CB C 29 68.663 68.808 -0.145 1
1 316 . 1 1 1 A 29 29 THR N N 29 116.635 115.495 1.140 1
1 317 . 1 1 1 A 30 30 ILE H H 30 7.875 8.104 -0.229 1
1 318 . 1 1 1 A 30 30 ILE HA H 30 3.159 3.445 -0.286 1
1 328 . 1 1 1 A 30 30 ILE C C 30 176.903 177.855 -0.952 1
1 329 . 1 1 1 A 30 30 ILE CA C 30 65.390 65.312 0.078 1
1 330 . 1 1 1 A 30 30 ILE CB C 30 37.356 37.695 -0.339 1
1 334 . 1 1 1 A 30 30 ILE N N 30 121.804 120.950 0.854 1
1 335 . 1 1 1 A 31 31 ARG H H 31 8.502 8.225 0.277 1
1 336 . 1 1 1 A 31 31 ARG HA H 31 3.508 3.786 -0.278 1
1 343 . 1 1 1 A 31 31 ARG C C 31 179.262 178.657 0.605 1
1 344 . 1 1 1 A 31 31 ARG CA C 31 60.462 59.819 0.643 1
1 345 . 1 1 1 A 31 31 ARG CB C 31 30.075 29.823 0.252 1
1 348 . 1 1 1 A 31 31 ARG N N 31 119.175 120.167 -0.992 1
1 349 . 1 1 1 A 32 32 LYS H H 32 7.497 7.662 -0.165 1
1 350 . 1 1 1 A 32 32 LYS HA H 32 3.884 4.024 -0.140 1
1 357 . 1 1 1 A 32 32 LYS C C 32 178.207 178.972 -0.765 1
1 358 . 1 1 1 A 32 32 LYS CA C 32 59.176 59.460 -0.284 1
1 359 . 1 1 1 A 32 32 LYS CB C 32 32.020 31.965 0.055 1
1 362 . 1 1 1 A 32 32 LYS N N 32 119.486 117.775 1.711 1
1 363 . 1 1 1 A 33 33 LYS H H 33 7.540 8.045 -0.505 1
1 366 . 1 1 1 A 33 33 LYS C C 33 179.884 178.435 1.449 1
1 367 . 1 1 1 A 33 33 LYS CB C 33 32.095 31.875 0.220 1
1 368 . 1 1 1 A 33 33 LYS N N 33 119.050 120.068 -1.018 1
1 369 . 1 1 1 A 34 34 ALA H H 34 8.208 8.066 0.142 1
1 370 . 1 1 1 A 34 34 ALA HA H 34 3.448 3.918 -0.470 1
1 374 . 1 1 1 A 34 34 ALA C C 34 179.325 178.804 0.521 1
1 375 . 1 1 1 A 34 34 ALA CA C 34 55.826 55.185 0.641 1
1 376 . 1 1 1 A 34 34 ALA CB C 34 17.665 18.226 -0.561 1
1 377 . 1 1 1 A 34 34 ALA N N 34 122.909 121.532 1.377 1
1 378 . 1 1 1 A 35 35 GLU H H 35 7.997 7.970 0.027 1
1 379 . 1 1 1 A 35 35 GLU HA H 35 3.877 4.073 -0.196 1
1 382 . 1 1 1 A 35 35 GLU C C 35 181.002 177.970 3.032 1
1 383 . 1 1 1 A 35 35 GLU CA C 35 59.737 58.915 0.822 1
1 384 . 1 1 1 A 35 35 GLU CB C 35 29.381 29.222 0.159 1
1 385 . 1 1 1 A 35 35 GLU N N 35 119.482 118.335 1.147 1
1 386 . 1 1 1 A 36 36 ASP H H 36 8.405 8.051 0.354 1
1 387 . 1 1 1 A 36 36 ASP HA H 36 4.279 4.397 -0.118 1
1 390 . 1 1 1 A 36 36 ASP C C 36 177.834 177.985 -0.151 1
1 391 . 1 1 1 A 36 36 ASP CA C 36 57.178 57.316 -0.138 1
1 392 . 1 1 1 A 36 36 ASP CB C 36 40.502 40.863 -0.361 1
1 393 . 1 1 1 A 36 36 ASP N N 36 120.553 120.665 -0.112 1
1 394 . 1 1 1 A 37 37 SER H H 37 7.481 7.457 0.024 1
1 395 . 1 1 1 A 37 37 SER HA H 37 4.450 4.499 -0.049 1
1 398 . 1 1 1 A 37 37 SER C C 37 174.294 174.705 -0.411 1
1 399 . 1 1 1 A 37 37 SER CA C 37 59.149 58.328 0.821 1
1 400 . 1 1 1 A 37 37 SER CB C 37 64.866 63.623 1.243 1
1 401 . 1 1 1 A 37 37 SER N N 37 112.666 112.636 0.030 1
1 402 . 1 1 1 A 38 38 GLY H H 38 7.871 8.199 -0.328 1
1 403 . 1 1 1 A 38 38 GLY HA2 H 38 3.895 3.972 -0.077 1
1 404 . 1 1 1 A 38 38 GLY HA3 H 38 3.772 3.978 -0.206 1
1 405 . 1 1 1 A 38 38 GLY C C 38 174.108 174.265 -0.157 1
1 406 . 1 1 1 A 38 38 GLY CA C 38 46.433 46.521 -0.088 1
1 407 . 1 1 1 A 38 38 GLY N N 38 110.893 109.958 0.935 1
1 408 . 1 1 1 A 39 39 LEU H H 39 7.850 7.832 0.018 1
1 409 . 1 1 1 A 39 39 LEU HA H 39 4.782 4.717 0.065 1
1 419 . 1 1 1 A 39 39 LEU C C 39 177.538 175.483 2.055 1
1 420 . 1 1 1 A 39 39 LEU CA C 39 53.141 53.325 -0.184 1
1 421 . 1 1 1 A 39 39 LEU CB C 39 47.097 44.876 2.221 1
1 425 . 1 1 1 A 39 39 LEU N N 39 119.947 120.326 -0.379 1
1 426 . 1 1 1 A 40 40 THR H H 40 7.654 8.590 -0.936 1
1 427 . 1 1 1 A 40 40 THR HA H 40 4.234 4.486 -0.252 1
1 432 . 1 1 1 A 40 40 THR C C 40 175.658 175.805 -0.147 1
1 433 . 1 1 1 A 40 40 THR CA C 40 61.188 62.415 -1.227 1
1 434 . 1 1 1 A 40 40 THR CB C 40 70.501 69.206 1.295 1
1 436 . 1 1 1 A 40 40 THR N N 40 109.345 118.226 -8.881 1
1 437 . 1 1 1 A 41 41 VAL H H 41 8.721 8.768 -0.047 1
1 438 . 1 1 1 A 41 41 VAL HA H 41 3.239 3.732 -0.493 1
1 446 . 1 1 1 A 41 41 VAL C C 41 178.021 177.505 0.516 1
1 447 . 1 1 1 A 41 41 VAL CA C 41 68.189 66.621 1.568 1
1 448 . 1 1 1 A 41 41 VAL CB C 41 31.300 31.571 -0.271 1
1 451 . 1 1 1 A 41 41 VAL N N 41 121.470 128.200 -6.730 1
1 452 . 1 1 1 A 42 42 SER H H 42 8.424 8.317 0.107 1
1 453 . 1 1 1 A 42 42 SER HA H 42 3.742 4.204 -0.462 1
1 454 . 1 1 1 A 42 42 SER C C 42 175.785 177.266 -1.481 1
1 455 . 1 1 1 A 42 42 SER CA C 42 62.514 61.351 1.163 1
1 456 . 1 1 1 A 42 42 SER N N 42 113.251 114.241 -0.990 1
1 457 . 1 1 1 A 43 43 ALA H H 43 7.494 7.649 -0.155 1
1 458 . 1 1 1 A 43 43 ALA HA H 43 3.916 4.075 -0.159 1
1 462 . 1 1 1 A 43 43 ALA C C 43 179.884 178.950 0.934 1
1 463 . 1 1 1 A 43 43 ALA CA C 43 55.172 54.908 0.264 1
1 464 . 1 1 1 A 43 43 ALA CB C 43 19.490 18.500 0.990 1
1 465 . 1 1 1 A 43 43 ALA N N 43 123.328 123.548 -0.220 1
1 466 . 1 1 1 A 44 44 TYR H H 44 8.662 8.770 -0.108 1
1 467 . 1 1 1 A 44 44 TYR HA H 44 3.742 4.132 -0.390 1
1 474 . 1 1 1 A 44 44 TYR C C 44 177.593 177.360 0.233 1
1 475 . 1 1 1 A 44 44 TYR CA C 44 62.514 61.590 0.924 1
1 476 . 1 1 1 A 44 44 TYR CB C 44 39.211 38.738 0.473 1
1 481 . 1 1 1 A 44 44 TYR N N 44 119.611 119.752 -0.141 1
1 482 . 1 1 1 A 45 45 ILE H H 45 8.445 8.669 -0.224 1
1 483 . 1 1 1 A 45 45 ILE HA H 45 3.138 3.591 -0.453 1
1 493 . 1 1 1 A 45 45 ILE C C 45 177.462 177.882 -0.420 1
1 494 . 1 1 1 A 45 45 ILE CA C 45 66.393 64.770 1.623 1
1 495 . 1 1 1 A 45 45 ILE CB C 45 37.810 37.778 0.032 1
1 499 . 1 1 1 A 45 45 ILE N N 45 118.859 121.139 -2.280 1
1 500 . 1 1 1 A 46 46 ARG H H 46 8.026 8.009 0.017 1
1 501 . 1 1 1 A 46 46 ARG HA H 46 3.635 4.009 -0.374 1
1 506 . 1 1 1 A 46 46 ARG C C 46 177.462 178.357 -0.895 1
1 507 . 1 1 1 A 46 46 ARG CA C 46 60.816 58.915 1.901 1
1 508 . 1 1 1 A 46 46 ARG CB C 46 30.287 30.259 0.028 1
1 510 . 1 1 1 A 46 46 ARG N N 46 117.983 120.663 -2.680 1
1 511 . 1 1 1 A 47 47 ASN H H 47 8.026 8.705 -0.679 1
1 512 . 1 1 1 A 47 47 ASN HA H 47 4.078 4.345 -0.267 1
1 517 . 1 1 1 A 47 47 ASN C C 47 177.648 177.161 0.487 1
1 518 . 1 1 1 A 47 47 ASN CA C 47 56.329 56.573 -0.244 1
1 519 . 1 1 1 A 47 47 ASN CB C 47 38.112 39.529 -1.417 1
1 520 . 1 1 1 A 47 47 ASN N N 47 115.323 118.045 -2.722 1
1 522 . 1 1 1 A 48 48 ALA H H 48 7.809 8.015 -0.206 1
1 523 . 1 1 1 A 48 48 ALA HA H 48 3.792 3.892 -0.100 1
1 527 . 1 1 1 A 48 48 ALA C C 48 179.325 180.464 -1.139 1
1 528 . 1 1 1 A 48 48 ALA CA C 48 54.393 54.669 -0.276 1
1 529 . 1 1 1 A 48 48 ALA CB C 48 16.905 17.977 -1.072 1
1 530 . 1 1 1 A 48 48 ALA N N 48 121.450 121.177 0.273 1
1 531 . 1 1 1 A 49 49 ALA H H 49 7.863 8.030 -0.167 1
1 532 . 1 1 1 A 49 49 ALA HA H 49 3.821 4.066 -0.245 1
1 536 . 1 1 1 A 49 49 ALA C C 49 178.503 178.576 -0.073 1
1 537 . 1 1 1 A 49 49 ALA CA C 49 54.016 54.678 -0.662 1
1 538 . 1 1 1 A 49 49 ALA CB C 49 19.693 18.340 1.353 1
1 539 . 1 1 1 A 49 49 ALA N N 49 117.188 120.632 -3.444 1
1 540 . 1 1 1 A 50 50 LEU H H 50 7.610 7.319 0.291 1
1 541 . 1 1 1 A 50 50 LEU HA H 50 4.062 4.272 -0.210 1
1 551 . 1 1 1 A 50 50 LEU C C 50 176.716 178.162 -1.446 1
1 552 . 1 1 1 A 50 50 LEU CA C 50 55.766 55.640 0.126 1
1 553 . 1 1 1 A 50 50 LEU CB C 50 43.320 42.468 0.852 1
1 557 . 1 1 1 A 50 50 LEU N N 50 116.113 115.287 0.826 1
1 6 . 2 1 1 A 2 2 ASP HA H 2 4.569 5.097 -0.528 1
1 9 . 2 1 1 A 2 2 ASP C C 2 176.530 174.022 2.508 1
1 10 . 2 1 1 A 2 2 ASP CA C 2 54.589 53.216 1.373 1
1 11 . 2 1 1 A 2 2 ASP CB C 2 41.462 45.140 -3.678 1
1 12 . 2 1 1 A 3 3 SER H H 3 8.267 8.737 -0.470 1
1 13 . 2 1 1 A 3 3 SER HA H 3 4.276 5.062 -0.786 1
1 16 . 2 1 1 A 3 3 SER C C 3 174.667 174.449 0.218 1
1 17 . 2 1 1 A 3 3 SER CA C 3 58.605 57.715 0.890 1
1 18 . 2 1 1 A 3 3 SER CB C 3 63.763 65.992 -2.229 1
1 19 . 2 1 1 A 3 3 SER N N 3 116.529 115.994 0.535 1
1 20 . 2 1 1 A 4 4 ALA H H 4 8.196 9.090 -0.894 1
1 21 . 2 1 1 A 4 4 ALA HA H 4 4.179 3.960 0.219 1
1 25 . 2 1 1 A 4 4 ALA C C 4 178.021 179.073 -1.052 1
1 26 . 2 1 1 A 4 4 ALA CA C 4 52.977 55.249 -2.272 1
1 27 . 2 1 1 A 4 4 ALA CB C 4 19.202 18.398 0.804 1
1 28 . 2 1 1 A 4 4 ALA N N 4 125.751 128.563 -2.812 1
1 29 . 2 1 1 A 5 5 VAL H H 5 7.811 7.676 0.135 1
1 30 . 2 1 1 A 5 5 VAL HA H 5 3.912 4.035 -0.123 1
1 38 . 2 1 1 A 5 5 VAL C C 5 176.344 176.776 -0.432 1
1 39 . 2 1 1 A 5 5 VAL CA C 5 62.506 63.954 -1.448 1
1 40 . 2 1 1 A 5 5 VAL CB C 5 32.588 31.604 0.984 1
1 43 . 2 1 1 A 5 5 VAL N N 5 118.872 116.506 2.366 1
1 44 . 2 1 1 A 6 6 ARG H H 6 8.146 7.795 0.351 1
1 45 . 2 1 1 A 6 6 ARG HA H 6 4.195 4.109 0.086 1
1 50 . 2 1 1 A 6 6 ARG C C 6 176.344 175.671 0.673 1
1 51 . 2 1 1 A 6 6 ARG CA C 6 56.173 58.540 -2.367 1
1 52 . 2 1 1 A 6 6 ARG CB C 6 30.859 30.195 0.664 1
1 54 . 2 1 1 A 6 6 ARG N N 6 124.824 122.431 2.393 1
1 55 . 2 1 1 A 7 7 LYS H H 7 8.207 7.748 0.459 1
1 56 . 2 1 1 A 7 7 LYS C C 7 176.792 174.705 2.087 1
1 57 . 2 1 1 A 7 7 LYS N N 7 123.109 118.446 4.663 1
1 58 . 2 1 1 A 8 8 LYS H H 8 8.258 8.921 -0.663 1
1 59 . 2 1 1 A 8 8 LYS C C 8 176.903 176.203 0.700 1
1 60 . 2 1 1 A 8 8 LYS N N 8 122.855 119.657 3.198 1
1 61 . 2 1 1 A 9 9 SER H H 9 8.197 8.919 -0.722 1
1 62 . 2 1 1 A 9 9 SER HA H 9 4.243 4.387 -0.144 1
1 65 . 2 1 1 A 9 9 SER C C 9 174.667 174.690 -0.023 1
1 66 . 2 1 1 A 9 9 SER CA C 9 58.831 61.212 -2.381 1
1 67 . 2 1 1 A 9 9 SER CB C 9 63.763 63.299 0.464 1
1 68 . 2 1 1 A 9 9 SER N N 9 116.772 116.500 0.272 1
1 69 . 2 1 1 A 10 10 GLU H H 10 8.280 7.803 0.477 1
1 70 . 2 1 1 A 10 10 GLU HA H 10 4.201 4.229 -0.028 1
1 73 . 2 1 1 A 10 10 GLU C C 10 176.530 175.623 0.907 1
1 74 . 2 1 1 A 10 10 GLU CA C 10 56.610 56.775 -0.165 1
1 75 . 2 1 1 A 10 10 GLU CB C 10 30.511 30.544 -0.033 1
1 76 . 2 1 1 A 10 10 GLU N N 10 123.218 121.923 1.295 1
1 77 . 2 1 1 A 11 11 VAL H H 11 8.032 8.501 -0.469 1
1 78 . 2 1 1 A 11 11 VAL HA H 11 3.888 4.842 -0.954 1
1 86 . 2 1 1 A 11 11 VAL C C 11 176.344 173.595 2.749 1
1 87 . 2 1 1 A 11 11 VAL CA C 11 62.778 59.516 3.262 1
1 88 . 2 1 1 A 11 11 VAL CB C 11 32.229 35.663 -3.434 1
1 91 . 2 1 1 A 11 11 VAL N N 11 121.505 123.977 -2.472 1
1 92 . 2 1 1 A 12 12 ARG H H 12 8.269 8.943 -0.674 1
1 93 . 2 1 1 A 12 12 ARG HA H 12 4.195 4.941 -0.746 1
1 98 . 2 1 1 A 12 12 ARG C C 12 176.344 174.632 1.712 1
1 99 . 2 1 1 A 12 12 ARG CA C 12 56.173 53.964 2.209 1
1 100 . 2 1 1 A 12 12 ARG CB C 12 30.859 34.078 -3.219 1
1 102 . 2 1 1 A 12 12 ARG N N 12 124.717 125.465 -0.748 1
1 103 . 2 1 1 A 13 13 GLN H H 13 8.246 8.716 -0.470 1
1 104 . 2 1 1 A 13 13 GLN HA H 13 4.208 4.447 -0.239 1
1 111 . 2 1 1 A 13 13 GLN C C 13 175.971 176.610 -0.639 1
1 112 . 2 1 1 A 13 13 GLN CA C 13 55.916 54.777 1.139 1
1 113 . 2 1 1 A 13 13 GLN CB C 13 29.864 26.665 3.199 1
1 115 . 2 1 1 A 13 13 GLN N N 13 121.386 119.952 1.434 1
1 117 . 2 1 1 A 14 14 LYS H H 14 8.276 8.323 -0.047 1
1 118 . 2 1 1 A 14 14 LYS HA H 14 4.149 4.066 0.083 1
1 127 . 2 1 1 A 14 14 LYS C C 14 175.971 176.675 -0.704 1
1 128 . 2 1 1 A 14 14 LYS CA C 14 56.518 59.032 -2.514 1
1 129 . 2 1 1 A 14 14 LYS CB C 14 33.073 32.212 0.861 1
1 133 . 2 1 1 A 14 14 LYS N N 14 123.021 120.915 2.106 1
1 134 . 2 1 1 A 15 15 THR H H 15 7.720 7.595 0.125 1
1 135 . 2 1 1 A 15 15 THR HA H 15 4.225 4.290 -0.065 1
1 140 . 2 1 1 A 15 15 THR C C 15 173.801 174.092 -0.291 1
1 141 . 2 1 1 A 15 15 THR CA C 15 62.211 62.089 0.122 1
1 142 . 2 1 1 A 15 15 THR CB C 15 70.979 70.063 0.916 1
1 144 . 2 1 1 A 15 15 THR N N 15 114.171 116.080 -1.909 1
1 145 . 2 1 1 A 16 16 VAL H H 16 9.143 8.329 0.814 1
1 146 . 2 1 1 A 16 16 VAL HA H 16 4.004 4.732 -0.728 1
1 154 . 2 1 1 A 16 16 VAL C C 16 174.853 175.037 -0.184 1
1 155 . 2 1 1 A 16 16 VAL CA C 16 62.452 61.241 1.211 1
1 156 . 2 1 1 A 16 16 VAL CB C 16 33.361 33.999 -0.638 1
1 159 . 2 1 1 A 16 16 VAL N N 16 126.087 124.086 2.001 1
1 160 . 2 1 1 A 17 17 VAL H H 17 8.364 8.450 -0.086 1
1 161 . 2 1 1 A 17 17 VAL HA H 17 4.653 4.782 -0.129 1
1 169 . 2 1 1 A 17 17 VAL C C 17 176.716 173.939 2.777 1
1 170 . 2 1 1 A 17 17 VAL CA C 17 61.419 60.505 0.914 1
1 171 . 2 1 1 A 17 17 VAL CB C 17 33.022 34.044 -1.022 1
1 174 . 2 1 1 A 17 17 VAL N N 17 127.119 122.114 5.005 1
1 175 . 2 1 1 A 18 18 ARG H H 18 9.038 8.793 0.245 1
1 176 . 2 1 1 A 18 18 ARG HA H 18 4.669 4.679 -0.010 1
1 181 . 2 1 1 A 18 18 ARG C C 18 174.480 174.645 -0.165 1
1 182 . 2 1 1 A 18 18 ARG CA C 18 54.148 55.058 -0.910 1
1 183 . 2 1 1 A 18 18 ARG CB C 18 33.202 34.349 -1.147 1
1 185 . 2 1 1 A 18 18 ARG N N 18 126.432 129.011 -2.579 1
1 186 . 2 1 1 A 19 19 THR H H 19 8.536 8.463 0.073 1
1 187 . 2 1 1 A 19 19 THR HA H 19 4.727 4.525 0.202 1
1 192 . 2 1 1 A 19 19 THR C C 19 173.644 173.405 0.239 1
1 193 . 2 1 1 A 19 19 THR CA C 19 62.000 62.152 -0.152 1
1 194 . 2 1 1 A 19 19 THR CB C 19 69.919 69.086 0.833 1
1 196 . 2 1 1 A 19 19 THR N N 19 118.670 116.024 2.646 1
1 197 . 2 1 1 A 20 20 LEU H H 20 8.972 9.027 -0.055 1
1 198 . 2 1 1 A 20 20 LEU HA H 20 4.430 4.925 -0.495 1
1 208 . 2 1 1 A 20 20 LEU C C 20 174.294 175.067 -0.773 1
1 209 . 2 1 1 A 20 20 LEU CA C 20 52.892 53.618 -0.726 1
1 210 . 2 1 1 A 20 20 LEU CB C 20 45.825 45.365 0.460 1
1 214 . 2 1 1 A 20 20 LEU N N 20 128.320 128.871 -0.551 1
1 215 . 2 1 1 A 21 21 ARG H H 21 7.938 8.749 -0.811 1
1 216 . 2 1 1 A 21 21 ARG HA H 21 4.945 4.970 -0.025 1
1 223 . 2 1 1 A 21 21 ARG C C 21 175.333 175.376 -0.043 1
1 224 . 2 1 1 A 21 21 ARG CA C 21 54.721 55.081 -0.360 1
1 225 . 2 1 1 A 21 21 ARG CB C 21 32.512 32.559 -0.047 1
1 228 . 2 1 1 A 21 21 ARG N N 21 119.462 126.420 -6.958 1
1 229 . 2 1 1 A 22 22 PHE H H 22 9.021 8.927 0.094 1
1 230 . 2 1 1 A 22 22 PHE HA H 22 4.777 5.005 -0.228 1
1 238 . 2 1 1 A 22 22 PHE C C 22 175.039 175.072 -0.033 1
1 239 . 2 1 1 A 22 22 PHE CA C 22 56.549 56.895 -0.346 1
1 240 . 2 1 1 A 22 22 PHE CB C 22 43.356 42.980 0.376 1
1 246 . 2 1 1 A 22 22 PHE N N 22 120.286 118.661 1.625 1
1 247 . 2 1 1 A 23 23 SER H H 23 9.411 8.865 0.546 1
1 248 . 2 1 1 A 23 23 SER HA H 23 4.937 4.725 0.212 1
1 249 . 2 1 1 A 23 23 SER C C 23 177.544 174.682 2.862 1
1 250 . 2 1 1 A 23 23 SER CA C 23 56.727 57.423 -0.696 1
1 251 . 2 1 1 A 23 23 SER N N 23 119.420 119.430 -0.010 1
1 252 . 2 1 1 A 24 24 PRO HA H 24 4.095 4.309 -0.214 1
1 259 . 2 1 1 A 24 24 PRO C C 24 179.325 178.954 0.371 1
1 260 . 2 1 1 A 24 24 PRO CA C 24 66.570 65.672 0.898 1
1 261 . 2 1 1 A 24 24 PRO CB C 24 31.862 31.828 0.034 1
1 264 . 2 1 1 A 25 25 VAL H H 25 7.563 7.557 0.006 1
1 265 . 2 1 1 A 25 25 VAL HA H 25 3.779 3.776 0.003 1
1 273 . 2 1 1 A 25 25 VAL C C 25 178.846 178.001 0.845 1
1 274 . 2 1 1 A 25 25 VAL CA C 25 65.693 65.523 0.170 1
1 275 . 2 1 1 A 25 25 VAL CB C 25 32.040 31.413 0.627 1
1 278 . 2 1 1 A 25 25 VAL N N 25 116.405 116.293 0.112 1
1 279 . 2 1 1 A 26 26 GLU H H 26 7.512 8.346 -0.834 1
1 280 . 2 1 1 A 26 26 GLU HA H 26 3.838 4.022 -0.184 1
1 285 . 2 1 1 A 26 26 GLU C C 26 178.766 178.702 0.064 1
1 286 . 2 1 1 A 26 26 GLU CA C 26 58.902 59.892 -0.990 1
1 287 . 2 1 1 A 26 26 GLU CB C 26 30.798 29.613 1.185 1
1 289 . 2 1 1 A 26 26 GLU N N 26 122.557 119.067 3.490 1
1 290 . 2 1 1 A 27 27 ASP H H 27 8.669 8.670 -0.001 1
1 291 . 2 1 1 A 27 27 ASP HA H 27 3.900 4.217 -0.317 1
1 294 . 2 1 1 A 27 27 ASP C C 27 177.586 178.757 -1.171 1
1 295 . 2 1 1 A 27 27 ASP CA C 27 57.954 57.550 0.404 1
1 296 . 2 1 1 A 27 27 ASP CB C 27 43.617 41.974 1.643 1
1 297 . 2 1 1 A 27 27 ASP N N 27 118.012 119.981 -1.969 1
1 298 . 2 1 1 A 28 28 GLU H H 28 7.875 8.428 -0.553 1
1 299 . 2 1 1 A 28 28 GLU HA H 28 3.738 3.989 -0.251 1
1 302 . 2 1 1 A 28 28 GLU C C 28 178.837 179.381 -0.544 1
1 303 . 2 1 1 A 28 28 GLU CA C 28 59.710 59.377 0.333 1
1 304 . 2 1 1 A 28 28 GLU CB C 28 29.550 29.406 0.144 1
1 305 . 2 1 1 A 28 28 GLU N N 28 118.040 117.942 0.098 1
1 306 . 2 1 1 A 29 29 THR H H 29 7.662 8.123 -0.461 1
1 307 . 2 1 1 A 29 29 THR HA H 29 3.739 3.941 -0.202 1
1 312 . 2 1 1 A 29 29 THR C C 29 176.344 176.061 0.283 1
1 313 . 2 1 1 A 29 29 THR CA C 29 66.756 67.198 -0.442 1
1 314 . 2 1 1 A 29 29 THR CB C 29 68.663 68.902 -0.239 1
1 316 . 2 1 1 A 29 29 THR N N 29 116.635 117.709 -1.074 1
1 317 . 2 1 1 A 30 30 ILE H H 30 7.875 8.357 -0.482 1
1 318 . 2 1 1 A 30 30 ILE HA H 30 3.159 3.434 -0.275 1
1 328 . 2 1 1 A 30 30 ILE C C 30 176.903 178.038 -1.135 1
1 329 . 2 1 1 A 30 30 ILE CA C 30 65.390 65.270 0.120 1
1 330 . 2 1 1 A 30 30 ILE CB C 30 37.356 37.643 -0.287 1
1 334 . 2 1 1 A 30 30 ILE N N 30 121.804 121.006 0.798 1
1 335 . 2 1 1 A 31 31 ARG H H 31 8.502 8.161 0.341 1
1 336 . 2 1 1 A 31 31 ARG HA H 31 3.508 3.768 -0.260 1
1 343 . 2 1 1 A 31 31 ARG C C 31 179.262 178.608 0.654 1
1 344 . 2 1 1 A 31 31 ARG CA C 31 60.462 59.740 0.722 1
1 345 . 2 1 1 A 31 31 ARG CB C 31 30.075 29.695 0.380 1
1 348 . 2 1 1 A 31 31 ARG N N 31 119.175 120.130 -0.955 1
1 349 . 2 1 1 A 32 32 LYS H H 32 7.497 7.965 -0.468 1
1 350 . 2 1 1 A 32 32 LYS HA H 32 3.884 4.015 -0.131 1
1 357 . 2 1 1 A 32 32 LYS C C 32 178.207 179.313 -1.106 1
1 358 . 2 1 1 A 32 32 LYS CA C 32 59.176 59.555 -0.379 1
1 359 . 2 1 1 A 32 32 LYS CB C 32 32.020 32.075 -0.055 1
1 362 . 2 1 1 A 32 32 LYS N N 32 119.486 117.954 1.532 1
1 363 . 2 1 1 A 33 33 LYS H H 33 7.540 8.182 -0.642 1
1 366 . 2 1 1 A 33 33 LYS C C 33 179.884 178.733 1.151 1
1 367 . 2 1 1 A 33 33 LYS CB C 33 32.095 32.154 -0.059 1
1 368 . 2 1 1 A 33 33 LYS N N 33 119.050 119.465 -0.415 1
1 369 . 2 1 1 A 34 34 ALA H H 34 8.208 8.029 0.179 1
1 370 . 2 1 1 A 34 34 ALA HA H 34 3.448 3.903 -0.455 1
1 374 . 2 1 1 A 34 34 ALA C C 34 179.325 178.834 0.491 1
1 375 . 2 1 1 A 34 34 ALA CA C 34 55.826 55.071 0.755 1
1 376 . 2 1 1 A 34 34 ALA CB C 34 17.665 17.924 -0.259 1
1 377 . 2 1 1 A 34 34 ALA N N 34 122.909 121.740 1.169 1
1 378 . 2 1 1 A 35 35 GLU H H 35 7.997 8.292 -0.295 1
1 379 . 2 1 1 A 35 35 GLU HA H 35 3.877 4.026 -0.149 1
1 382 . 2 1 1 A 35 35 GLU C C 35 181.002 178.154 2.848 1
1 383 . 2 1 1 A 35 35 GLU CA C 35 59.737 59.253 0.484 1
1 384 . 2 1 1 A 35 35 GLU CB C 35 29.381 29.065 0.316 1
1 385 . 2 1 1 A 35 35 GLU N N 35 119.482 118.360 1.122 1
1 386 . 2 1 1 A 36 36 ASP H H 36 8.405 8.329 0.076 1
1 387 . 2 1 1 A 36 36 ASP HA H 36 4.279 4.426 -0.147 1
1 390 . 2 1 1 A 36 36 ASP C C 36 177.834 177.957 -0.123 1
1 391 . 2 1 1 A 36 36 ASP CA C 36 57.178 56.712 0.466 1
1 392 . 2 1 1 A 36 36 ASP CB C 36 40.502 40.879 -0.377 1
1 393 . 2 1 1 A 36 36 ASP N N 36 120.553 120.445 0.108 1
1 394 . 2 1 1 A 37 37 SER H H 37 7.481 7.553 -0.072 1
1 395 . 2 1 1 A 37 37 SER HA H 37 4.450 4.554 -0.104 1
1 398 . 2 1 1 A 37 37 SER C C 37 174.294 174.771 -0.477 1
1 399 . 2 1 1 A 37 37 SER CA C 37 59.149 58.244 0.905 1
1 400 . 2 1 1 A 37 37 SER CB C 37 64.866 63.774 1.092 1
1 401 . 2 1 1 A 37 37 SER N N 37 112.666 112.751 -0.085 1
1 402 . 2 1 1 A 38 38 GLY H H 38 7.871 8.305 -0.434 1
1 403 . 2 1 1 A 38 38 GLY HA2 H 38 3.895 3.966 -0.071 1
1 404 . 2 1 1 A 38 38 GLY HA3 H 38 3.772 3.974 -0.202 1
1 405 . 2 1 1 A 38 38 GLY C C 38 174.108 173.979 0.129 1
1 406 . 2 1 1 A 38 38 GLY CA C 38 46.433 46.304 0.129 1
1 407 . 2 1 1 A 38 38 GLY N N 38 110.893 110.296 0.597 1
1 408 . 2 1 1 A 39 39 LEU H H 39 7.850 7.807 0.043 1
1 409 . 2 1 1 A 39 39 LEU HA H 39 4.782 4.909 -0.127 1
1 419 . 2 1 1 A 39 39 LEU C C 39 177.538 175.367 2.171 1
1 420 . 2 1 1 A 39 39 LEU CA C 39 53.141 52.785 0.356 1
1 421 . 2 1 1 A 39 39 LEU CB C 39 47.097 44.730 2.367 1
1 425 . 2 1 1 A 39 39 LEU N N 39 119.947 120.142 -0.195 1
1 426 . 2 1 1 A 40 40 THR H H 40 7.654 8.475 -0.821 1
1 427 . 2 1 1 A 40 40 THR HA H 40 4.234 4.539 -0.305 1
1 432 . 2 1 1 A 40 40 THR C C 40 175.658 175.829 -0.171 1
1 433 . 2 1 1 A 40 40 THR CA C 40 61.188 61.276 -0.088 1
1 434 . 2 1 1 A 40 40 THR CB C 40 70.501 69.648 0.853 1
1 436 . 2 1 1 A 40 40 THR N N 40 109.345 116.560 -7.215 1
1 437 . 2 1 1 A 41 41 VAL H H 41 8.721 8.689 0.032 1
1 438 . 2 1 1 A 41 41 VAL HA H 41 3.239 3.670 -0.431 1
1 446 . 2 1 1 A 41 41 VAL C C 41 178.021 177.440 0.581 1
1 447 . 2 1 1 A 41 41 VAL CA C 41 68.189 66.619 1.570 1
1 448 . 2 1 1 A 41 41 VAL CB C 41 31.300 31.586 -0.286 1
1 451 . 2 1 1 A 41 41 VAL N N 41 121.470 128.090 -6.620 1
1 452 . 2 1 1 A 42 42 SER H H 42 8.424 8.071 0.353 1
1 453 . 2 1 1 A 42 42 SER HA H 42 3.742 4.056 -0.314 1
1 454 . 2 1 1 A 42 42 SER C C 42 175.785 176.700 -0.915 1
1 455 . 2 1 1 A 42 42 SER CA C 42 62.514 61.981 0.533 1
1 456 . 2 1 1 A 42 42 SER N N 42 113.251 115.306 -2.055 1
1 457 . 2 1 1 A 43 43 ALA H H 43 7.494 7.691 -0.197 1
1 458 . 2 1 1 A 43 43 ALA HA H 43 3.916 4.080 -0.164 1
1 462 . 2 1 1 A 43 43 ALA C C 43 179.884 179.042 0.842 1
1 463 . 2 1 1 A 43 43 ALA CA C 43 55.172 54.944 0.228 1
1 464 . 2 1 1 A 43 43 ALA CB C 43 19.490 18.424 1.066 1
1 465 . 2 1 1 A 43 43 ALA N N 43 123.328 123.797 -0.469 1
1 466 . 2 1 1 A 44 44 TYR H H 44 8.662 8.488 0.174 1
1 467 . 2 1 1 A 44 44 TYR HA H 44 3.742 4.219 -0.477 1
1 474 . 2 1 1 A 44 44 TYR C C 44 177.593 177.469 0.124 1
1 475 . 2 1 1 A 44 44 TYR CA C 44 62.514 61.273 1.241 1
1 476 . 2 1 1 A 44 44 TYR CB C 44 39.211 38.597 0.614 1
1 481 . 2 1 1 A 44 44 TYR N N 44 119.611 120.062 -0.451 1
1 482 . 2 1 1 A 45 45 ILE H H 45 8.445 8.734 -0.289 1
1 483 . 2 1 1 A 45 45 ILE HA H 45 3.138 3.668 -0.530 1
1 493 . 2 1 1 A 45 45 ILE C C 45 177.462 178.051 -0.589 1
1 494 . 2 1 1 A 45 45 ILE CA C 45 66.393 65.014 1.379 1
1 495 . 2 1 1 A 45 45 ILE CB C 45 37.810 37.949 -0.139 1
1 499 . 2 1 1 A 45 45 ILE N N 45 118.859 121.171 -2.312 1
1 500 . 2 1 1 A 46 46 ARG H H 46 8.026 8.120 -0.094 1
1 501 . 2 1 1 A 46 46 ARG HA H 46 3.635 4.016 -0.381 1
1 506 . 2 1 1 A 46 46 ARG C C 46 177.462 178.367 -0.905 1
1 507 . 2 1 1 A 46 46 ARG CA C 46 60.816 58.906 1.910 1
1 508 . 2 1 1 A 46 46 ARG CB C 46 30.287 30.133 0.154 1
1 510 . 2 1 1 A 46 46 ARG N N 46 117.983 120.666 -2.683 1
1 511 . 2 1 1 A 47 47 ASN H H 47 8.026 8.543 -0.517 1
1 512 . 2 1 1 A 47 47 ASN HA H 47 4.078 4.351 -0.273 1
1 517 . 2 1 1 A 47 47 ASN C C 47 177.648 177.205 0.443 1
1 518 . 2 1 1 A 47 47 ASN CA C 47 56.329 56.845 -0.516 1
1 519 . 2 1 1 A 47 47 ASN CB C 47 38.112 39.365 -1.253 1
1 520 . 2 1 1 A 47 47 ASN N N 47 115.323 118.013 -2.690 1
1 522 . 2 1 1 A 48 48 ALA H H 48 7.809 8.146 -0.337 1
1 523 . 2 1 1 A 48 48 ALA HA H 48 3.792 3.880 -0.088 1
1 527 . 2 1 1 A 48 48 ALA C C 48 179.325 179.861 -0.536 1
1 528 . 2 1 1 A 48 48 ALA CA C 48 54.393 54.646 -0.253 1
1 529 . 2 1 1 A 48 48 ALA CB C 48 16.905 17.881 -0.976 1
1 530 . 2 1 1 A 48 48 ALA N N 48 121.450 121.414 0.036 1
1 531 . 2 1 1 A 49 49 ALA H H 49 7.863 7.598 0.265 1
1 532 . 2 1 1 A 49 49 ALA HA H 49 3.821 4.095 -0.274 1
1 536 . 2 1 1 A 49 49 ALA C C 49 178.503 178.386 0.117 1
1 537 . 2 1 1 A 49 49 ALA CA C 49 54.016 54.022 -0.006 1
1 538 . 2 1 1 A 49 49 ALA CB C 49 19.693 18.411 1.282 1
1 539 . 2 1 1 A 49 49 ALA N N 49 117.188 119.803 -2.615 1
1 540 . 2 1 1 A 50 50 LEU H H 50 7.610 7.264 0.346 1
1 541 . 2 1 1 A 50 50 LEU HA H 50 4.062 4.251 -0.189 1
1 551 . 2 1 1 A 50 50 LEU C C 50 176.716 178.566 -1.850 1
1 552 . 2 1 1 A 50 50 LEU CA C 50 55.766 56.452 -0.686 1
1 553 . 2 1 1 A 50 50 LEU CB C 50 43.320 43.023 0.297 1
1 557 . 2 1 1 A 50 50 LEU N N 50 116.113 114.962 1.151 1
1 6 . 3 1 1 A 2 2 ASP HA H 2 4.569 4.432 0.137 1
1 9 . 3 1 1 A 2 2 ASP C C 2 176.530 175.816 0.714 1
1 10 . 3 1 1 A 2 2 ASP CA C 2 54.589 56.553 -1.964 1
1 11 . 3 1 1 A 2 2 ASP CB C 2 41.462 40.465 0.997 1
1 12 . 3 1 1 A 3 3 SER H H 3 8.267 7.691 0.576 1
1 13 . 3 1 1 A 3 3 SER HA H 3 4.276 4.641 -0.365 1
1 16 . 3 1 1 A 3 3 SER C C 3 174.667 172.276 2.391 1
1 17 . 3 1 1 A 3 3 SER CA C 3 58.605 56.701 1.904 1
1 18 . 3 1 1 A 3 3 SER CB C 3 63.763 64.752 -0.989 1
1 19 . 3 1 1 A 3 3 SER N N 3 116.529 112.958 3.571 1
1 20 . 3 1 1 A 4 4 ALA H H 4 8.196 8.398 -0.202 1
1 21 . 3 1 1 A 4 4 ALA HA H 4 4.179 4.787 -0.608 1
1 25 . 3 1 1 A 4 4 ALA C C 4 178.021 177.319 0.702 1
1 26 . 3 1 1 A 4 4 ALA CA C 4 52.977 52.152 0.825 1
1 27 . 3 1 1 A 4 4 ALA CB C 4 19.202 19.600 -0.398 1
1 28 . 3 1 1 A 4 4 ALA N N 4 125.751 124.218 1.533 1
1 29 . 3 1 1 A 5 5 VAL H H 5 7.811 8.448 -0.637 1
1 30 . 3 1 1 A 5 5 VAL HA H 5 3.912 4.062 -0.150 1
1 38 . 3 1 1 A 5 5 VAL C C 5 176.344 176.163 0.181 1
1 39 . 3 1 1 A 5 5 VAL CA C 5 62.506 64.710 -2.204 1
1 40 . 3 1 1 A 5 5 VAL CB C 5 32.588 32.130 0.458 1
1 43 . 3 1 1 A 5 5 VAL N N 5 118.872 123.035 -4.163 1
1 44 . 3 1 1 A 6 6 ARG H H 6 8.146 7.655 0.491 1
1 45 . 3 1 1 A 6 6 ARG HA H 6 4.195 4.242 -0.047 1
1 50 . 3 1 1 A 6 6 ARG C C 6 176.344 175.425 0.919 1
1 51 . 3 1 1 A 6 6 ARG CA C 6 56.173 56.343 -0.170 1
1 52 . 3 1 1 A 6 6 ARG CB C 6 30.859 31.131 -0.272 1
1 54 . 3 1 1 A 6 6 ARG N N 6 124.824 122.560 2.264 1
1 55 . 3 1 1 A 7 7 LYS H H 7 8.207 8.957 -0.750 1
1 56 . 3 1 1 A 7 7 LYS C C 7 176.792 175.593 1.199 1
1 57 . 3 1 1 A 7 7 LYS N N 7 123.109 123.030 0.079 1
1 58 . 3 1 1 A 8 8 LYS H H 8 8.258 8.754 -0.496 1
1 59 . 3 1 1 A 8 8 LYS C C 8 176.903 176.878 0.025 1
1 60 . 3 1 1 A 8 8 LYS N N 8 122.855 118.079 4.776 1
1 61 . 3 1 1 A 9 9 SER H H 9 8.197 8.359 -0.162 1
1 62 . 3 1 1 A 9 9 SER HA H 9 4.243 4.357 -0.114 1
1 65 . 3 1 1 A 9 9 SER C C 9 174.667 174.837 -0.170 1
1 66 . 3 1 1 A 9 9 SER CA C 9 58.831 60.506 -1.675 1
1 67 . 3 1 1 A 9 9 SER CB C 9 63.763 63.020 0.743 1
1 68 . 3 1 1 A 9 9 SER N N 9 116.772 115.240 1.532 1
1 69 . 3 1 1 A 10 10 GLU H H 10 8.280 7.531 0.749 1
1 70 . 3 1 1 A 10 10 GLU HA H 10 4.201 4.525 -0.324 1
1 73 . 3 1 1 A 10 10 GLU C C 10 176.530 177.380 -0.850 1
1 74 . 3 1 1 A 10 10 GLU CA C 10 56.610 55.342 1.268 1
1 75 . 3 1 1 A 10 10 GLU CB C 10 30.511 28.562 1.949 1
1 76 . 3 1 1 A 10 10 GLU N N 10 123.218 122.794 0.424 1
1 77 . 3 1 1 A 11 11 VAL H H 11 8.032 7.802 0.230 1
1 78 . 3 1 1 A 11 11 VAL HA H 11 3.888 3.910 -0.022 1
1 86 . 3 1 1 A 11 11 VAL C C 11 176.344 176.012 0.332 1
1 87 . 3 1 1 A 11 11 VAL CA C 11 62.778 64.594 -1.816 1
1 88 . 3 1 1 A 11 11 VAL CB C 11 32.229 31.407 0.822 1
1 91 . 3 1 1 A 11 11 VAL N N 11 121.505 122.954 -1.449 1
1 92 . 3 1 1 A 12 12 ARG H H 12 8.269 7.602 0.667 1
1 93 . 3 1 1 A 12 12 ARG HA H 12 4.195 4.163 0.032 1
1 98 . 3 1 1 A 12 12 ARG C C 12 176.344 176.252 0.092 1
1 99 . 3 1 1 A 12 12 ARG CA C 12 56.173 56.456 -0.283 1
1 100 . 3 1 1 A 12 12 ARG CB C 12 30.859 30.401 0.458 1
1 102 . 3 1 1 A 12 12 ARG N N 12 124.717 123.500 1.217 1
1 103 . 3 1 1 A 13 13 GLN H H 13 8.246 8.281 -0.035 1
1 104 . 3 1 1 A 13 13 GLN HA H 13 4.208 4.290 -0.082 1
1 111 . 3 1 1 A 13 13 GLN C C 13 175.971 177.433 -1.462 1
1 112 . 3 1 1 A 13 13 GLN CA C 13 55.916 56.024 -0.108 1
1 113 . 3 1 1 A 13 13 GLN CB C 13 29.864 28.578 1.286 1
1 115 . 3 1 1 A 13 13 GLN N N 13 121.386 124.852 -3.466 1
1 117 . 3 1 1 A 14 14 LYS H H 14 8.276 8.379 -0.103 1
1 118 . 3 1 1 A 14 14 LYS HA H 14 4.149 4.103 0.046 1
1 127 . 3 1 1 A 14 14 LYS C C 14 175.971 176.528 -0.557 1
1 128 . 3 1 1 A 14 14 LYS CA C 14 56.518 58.742 -2.224 1
1 129 . 3 1 1 A 14 14 LYS CB C 14 33.073 31.824 1.249 1
1 133 . 3 1 1 A 14 14 LYS N N 14 123.021 123.616 -0.595 1
1 134 . 3 1 1 A 15 15 THR H H 15 7.720 7.561 0.159 1
1 135 . 3 1 1 A 15 15 THR HA H 15 4.225 4.314 -0.089 1
1 140 . 3 1 1 A 15 15 THR C C 15 173.801 173.770 0.031 1
1 141 . 3 1 1 A 15 15 THR CA C 15 62.211 61.751 0.460 1
1 142 . 3 1 1 A 15 15 THR CB C 15 70.979 69.796 1.183 1
1 144 . 3 1 1 A 15 15 THR N N 15 114.171 116.021 -1.850 1
1 145 . 3 1 1 A 16 16 VAL H H 16 9.143 8.472 0.671 1
1 146 . 3 1 1 A 16 16 VAL HA H 16 4.004 4.973 -0.969 1
1 154 . 3 1 1 A 16 16 VAL C C 16 174.853 174.823 0.030 1
1 155 . 3 1 1 A 16 16 VAL CA C 16 62.452 60.292 2.160 1
1 156 . 3 1 1 A 16 16 VAL CB C 16 33.361 35.670 -2.309 1
1 159 . 3 1 1 A 16 16 VAL N N 16 126.087 121.760 4.327 1
1 160 . 3 1 1 A 17 17 VAL H H 17 8.364 8.569 -0.205 1
1 161 . 3 1 1 A 17 17 VAL HA H 17 4.653 4.772 -0.119 1
1 169 . 3 1 1 A 17 17 VAL C C 17 176.716 174.091 2.625 1
1 170 . 3 1 1 A 17 17 VAL CA C 17 61.419 60.172 1.247 1
1 171 . 3 1 1 A 17 17 VAL CB C 17 33.022 34.741 -1.719 1
1 174 . 3 1 1 A 17 17 VAL N N 17 127.119 122.044 5.075 1
1 175 . 3 1 1 A 18 18 ARG H H 18 9.038 8.795 0.243 1
1 176 . 3 1 1 A 18 18 ARG HA H 18 4.669 4.741 -0.072 1
1 181 . 3 1 1 A 18 18 ARG C C 18 174.480 173.965 0.515 1
1 182 . 3 1 1 A 18 18 ARG CA C 18 54.148 55.120 -0.972 1
1 183 . 3 1 1 A 18 18 ARG CB C 18 33.202 34.494 -1.292 1
1 185 . 3 1 1 A 18 18 ARG N N 18 126.432 128.329 -1.897 1
1 186 . 3 1 1 A 19 19 THR H H 19 8.536 8.496 0.040 1
1 187 . 3 1 1 A 19 19 THR HA H 19 4.727 5.001 -0.274 1
1 192 . 3 1 1 A 19 19 THR C C 19 173.644 173.202 0.442 1
1 193 . 3 1 1 A 19 19 THR CA C 19 62.000 62.267 -0.267 1
1 194 . 3 1 1 A 19 19 THR CB C 19 69.919 70.152 -0.233 1
1 196 . 3 1 1 A 19 19 THR N N 19 118.670 119.319 -0.649 1
1 197 . 3 1 1 A 20 20 LEU H H 20 8.972 8.969 0.003 1
1 198 . 3 1 1 A 20 20 LEU HA H 20 4.430 4.913 -0.483 1
1 208 . 3 1 1 A 20 20 LEU C C 20 174.294 175.461 -1.167 1
1 209 . 3 1 1 A 20 20 LEU CA C 20 52.892 53.702 -0.810 1
1 210 . 3 1 1 A 20 20 LEU CB C 20 45.825 45.799 0.026 1
1 214 . 3 1 1 A 20 20 LEU N N 20 128.320 128.975 -0.655 1
1 215 . 3 1 1 A 21 21 ARG H H 21 7.938 8.745 -0.807 1
1 216 . 3 1 1 A 21 21 ARG HA H 21 4.945 4.859 0.086 1
1 223 . 3 1 1 A 21 21 ARG C C 21 175.333 175.601 -0.268 1
1 224 . 3 1 1 A 21 21 ARG CA C 21 54.721 55.936 -1.215 1
1 225 . 3 1 1 A 21 21 ARG CB C 21 32.512 32.269 0.243 1
1 228 . 3 1 1 A 21 21 ARG N N 21 119.462 126.364 -6.902 1
1 229 . 3 1 1 A 22 22 PHE H H 22 9.021 8.980 0.041 1
1 230 . 3 1 1 A 22 22 PHE HA H 22 4.777 5.029 -0.252 1
1 238 . 3 1 1 A 22 22 PHE C C 22 175.039 174.845 0.194 1
1 239 . 3 1 1 A 22 22 PHE CA C 22 56.549 56.885 -0.336 1
1 240 . 3 1 1 A 22 22 PHE CB C 22 43.356 43.163 0.193 1
1 246 . 3 1 1 A 22 22 PHE N N 22 120.286 119.452 0.834 1
1 247 . 3 1 1 A 23 23 SER H H 23 9.411 8.878 0.533 1
1 248 . 3 1 1 A 23 23 SER HA H 23 4.937 4.748 0.189 1
1 249 . 3 1 1 A 23 23 SER C C 23 177.544 174.714 2.830 1
1 250 . 3 1 1 A 23 23 SER CA C 23 56.727 57.350 -0.623 1
1 251 . 3 1 1 A 23 23 SER N N 23 119.420 119.262 0.158 1
1 252 . 3 1 1 A 24 24 PRO HA H 24 4.095 4.313 -0.218 1
1 259 . 3 1 1 A 24 24 PRO C C 24 179.325 178.902 0.423 1
1 260 . 3 1 1 A 24 24 PRO CA C 24 66.570 65.778 0.792 1
1 261 . 3 1 1 A 24 24 PRO CB C 24 31.862 31.614 0.248 1
1 264 . 3 1 1 A 25 25 VAL H H 25 7.563 7.627 -0.064 1
1 265 . 3 1 1 A 25 25 VAL HA H 25 3.779 3.774 0.005 1
1 273 . 3 1 1 A 25 25 VAL C C 25 178.846 177.716 1.130 1
1 274 . 3 1 1 A 25 25 VAL CA C 25 65.693 65.683 0.010 1
1 275 . 3 1 1 A 25 25 VAL CB C 25 32.040 31.345 0.695 1
1 278 . 3 1 1 A 25 25 VAL N N 25 116.405 115.698 0.707 1
1 279 . 3 1 1 A 26 26 GLU H H 26 7.512 8.345 -0.833 1
1 280 . 3 1 1 A 26 26 GLU HA H 26 3.838 4.029 -0.191 1
1 285 . 3 1 1 A 26 26 GLU C C 26 178.766 178.804 -0.038 1
1 286 . 3 1 1 A 26 26 GLU CA C 26 58.902 59.837 -0.935 1
1 287 . 3 1 1 A 26 26 GLU CB C 26 30.798 29.326 1.472 1
1 289 . 3 1 1 A 26 26 GLU N N 26 122.557 119.041 3.516 1
1 290 . 3 1 1 A 27 27 ASP H H 27 8.669 8.641 0.028 1
1 291 . 3 1 1 A 27 27 ASP HA H 27 3.900 4.192 -0.292 1
1 294 . 3 1 1 A 27 27 ASP C C 27 177.586 178.278 -0.692 1
1 295 . 3 1 1 A 27 27 ASP CA C 27 57.954 57.577 0.377 1
1 296 . 3 1 1 A 27 27 ASP CB C 27 43.617 41.921 1.696 1
1 297 . 3 1 1 A 27 27 ASP N N 27 118.012 120.376 -2.364 1
1 298 . 3 1 1 A 28 28 GLU H H 28 7.875 8.439 -0.564 1
1 299 . 3 1 1 A 28 28 GLU HA H 28 3.738 3.971 -0.233 1
1 302 . 3 1 1 A 28 28 GLU C C 28 178.837 179.189 -0.352 1
1 303 . 3 1 1 A 28 28 GLU CA C 28 59.710 59.404 0.306 1
1 304 . 3 1 1 A 28 28 GLU CB C 28 29.550 29.675 -0.125 1
1 305 . 3 1 1 A 28 28 GLU N N 28 118.040 119.004 -0.964 1
1 306 . 3 1 1 A 29 29 THR H H 29 7.662 8.058 -0.396 1
1 307 . 3 1 1 A 29 29 THR HA H 29 3.739 3.923 -0.184 1
1 312 . 3 1 1 A 29 29 THR C C 29 176.344 175.980 0.364 1
1 313 . 3 1 1 A 29 29 THR CA C 29 66.756 67.208 -0.452 1
1 314 . 3 1 1 A 29 29 THR CB C 29 68.663 68.752 -0.089 1
1 316 . 3 1 1 A 29 29 THR N N 29 116.635 116.955 -0.320 1
1 317 . 3 1 1 A 30 30 ILE H H 30 7.875 8.102 -0.227 1
1 318 . 3 1 1 A 30 30 ILE HA H 30 3.159 3.332 -0.173 1
1 328 . 3 1 1 A 30 30 ILE C C 30 176.903 178.002 -1.099 1
1 329 . 3 1 1 A 30 30 ILE CA C 30 65.390 65.272 0.118 1
1 330 . 3 1 1 A 30 30 ILE CB C 30 37.356 37.612 -0.256 1
1 334 . 3 1 1 A 30 30 ILE N N 30 121.804 121.040 0.764 1
1 335 . 3 1 1 A 31 31 ARG H H 31 8.502 8.223 0.279 1
1 336 . 3 1 1 A 31 31 ARG HA H 31 3.508 3.782 -0.274 1
1 343 . 3 1 1 A 31 31 ARG C C 31 179.262 178.477 0.785 1
1 344 . 3 1 1 A 31 31 ARG CA C 31 60.462 59.501 0.961 1
1 345 . 3 1 1 A 31 31 ARG CB C 31 30.075 29.517 0.558 1
1 348 . 3 1 1 A 31 31 ARG N N 31 119.175 120.142 -0.967 1
1 349 . 3 1 1 A 32 32 LYS H H 32 7.497 7.703 -0.206 1
1 350 . 3 1 1 A 32 32 LYS HA H 32 3.884 3.993 -0.109 1
1 357 . 3 1 1 A 32 32 LYS C C 32 178.207 179.554 -1.347 1
1 358 . 3 1 1 A 32 32 LYS CA C 32 59.176 59.395 -0.219 1
1 359 . 3 1 1 A 32 32 LYS CB C 32 32.020 32.064 -0.044 1
1 362 . 3 1 1 A 32 32 LYS N N 32 119.486 118.245 1.241 1
1 363 . 3 1 1 A 33 33 LYS H H 33 7.540 7.939 -0.399 1
1 366 . 3 1 1 A 33 33 LYS C C 33 179.884 178.823 1.061 1
1 367 . 3 1 1 A 33 33 LYS CB C 33 32.095 32.145 -0.050 1
1 368 . 3 1 1 A 33 33 LYS N N 33 119.050 119.489 -0.439 1
1 369 . 3 1 1 A 34 34 ALA H H 34 8.208 8.016 0.192 1
1 370 . 3 1 1 A 34 34 ALA HA H 34 3.448 4.005 -0.557 1
1 374 . 3 1 1 A 34 34 ALA C C 34 179.325 178.938 0.387 1
1 375 . 3 1 1 A 34 34 ALA CA C 34 55.826 55.238 0.588 1
1 376 . 3 1 1 A 34 34 ALA CB C 34 17.665 17.990 -0.325 1
1 377 . 3 1 1 A 34 34 ALA N N 34 122.909 121.741 1.168 1
1 378 . 3 1 1 A 35 35 GLU H H 35 7.997 8.116 -0.119 1
1 379 . 3 1 1 A 35 35 GLU HA H 35 3.877 4.056 -0.179 1
1 382 . 3 1 1 A 35 35 GLU C C 35 181.002 178.324 2.678 1
1 383 . 3 1 1 A 35 35 GLU CA C 35 59.737 59.144 0.593 1
1 384 . 3 1 1 A 35 35 GLU CB C 35 29.381 29.258 0.123 1
1 385 . 3 1 1 A 35 35 GLU N N 35 119.482 118.296 1.186 1
1 386 . 3 1 1 A 36 36 ASP H H 36 8.405 8.550 -0.145 1
1 387 . 3 1 1 A 36 36 ASP HA H 36 4.279 4.410 -0.131 1
1 390 . 3 1 1 A 36 36 ASP C C 36 177.834 178.048 -0.214 1
1 391 . 3 1 1 A 36 36 ASP CA C 36 57.178 57.532 -0.354 1
1 392 . 3 1 1 A 36 36 ASP CB C 36 40.502 41.722 -1.220 1
1 393 . 3 1 1 A 36 36 ASP N N 36 120.553 120.425 0.128 1
1 394 . 3 1 1 A 37 37 SER H H 37 7.481 7.719 -0.238 1
1 395 . 3 1 1 A 37 37 SER HA H 37 4.450 4.541 -0.091 1
1 398 . 3 1 1 A 37 37 SER C C 37 174.294 174.811 -0.517 1
1 399 . 3 1 1 A 37 37 SER CA C 37 59.149 58.300 0.849 1
1 400 . 3 1 1 A 37 37 SER CB C 37 64.866 63.747 1.119 1
1 401 . 3 1 1 A 37 37 SER N N 37 112.666 112.912 -0.246 1
1 402 . 3 1 1 A 38 38 GLY H H 38 7.871 8.343 -0.472 1
1 403 . 3 1 1 A 38 38 GLY HA2 H 38 3.895 3.962 -0.067 1
1 404 . 3 1 1 A 38 38 GLY HA3 H 38 3.772 3.968 -0.196 1
1 405 . 3 1 1 A 38 38 GLY C C 38 174.108 174.299 -0.191 1
1 406 . 3 1 1 A 38 38 GLY CA C 38 46.433 46.286 0.147 1
1 407 . 3 1 1 A 38 38 GLY N N 38 110.893 110.269 0.624 1
1 408 . 3 1 1 A 39 39 LEU H H 39 7.850 7.888 -0.038 1
1 409 . 3 1 1 A 39 39 LEU HA H 39 4.782 4.622 0.160 1
1 419 . 3 1 1 A 39 39 LEU C C 39 177.538 175.961 1.577 1
1 420 . 3 1 1 A 39 39 LEU CA C 39 53.141 53.463 -0.322 1
1 421 . 3 1 1 A 39 39 LEU CB C 39 47.097 44.246 2.851 1
1 425 . 3 1 1 A 39 39 LEU N N 39 119.947 120.848 -0.901 1
1 426 . 3 1 1 A 40 40 THR H H 40 7.654 8.595 -0.941 1
1 427 . 3 1 1 A 40 40 THR HA H 40 4.234 4.378 -0.144 1
1 432 . 3 1 1 A 40 40 THR C C 40 175.658 176.001 -0.343 1
1 433 . 3 1 1 A 40 40 THR CA C 40 61.188 62.546 -1.358 1
1 434 . 3 1 1 A 40 40 THR CB C 40 70.501 69.125 1.376 1
1 436 . 3 1 1 A 40 40 THR N N 40 109.345 118.689 -9.344 1
1 437 . 3 1 1 A 41 41 VAL H H 41 8.721 8.759 -0.038 1
1 438 . 3 1 1 A 41 41 VAL HA H 41 3.239 3.699 -0.460 1
1 446 . 3 1 1 A 41 41 VAL C C 41 178.021 177.469 0.552 1
1 447 . 3 1 1 A 41 41 VAL CA C 41 68.189 66.623 1.566 1
1 448 . 3 1 1 A 41 41 VAL CB C 41 31.300 31.543 -0.243 1
1 451 . 3 1 1 A 41 41 VAL N N 41 121.470 128.167 -6.697 1
1 452 . 3 1 1 A 42 42 SER H H 42 8.424 7.602 0.822 1
1 453 . 3 1 1 A 42 42 SER HA H 42 3.742 4.168 -0.426 1
1 454 . 3 1 1 A 42 42 SER C C 42 175.785 176.342 -0.557 1
1 455 . 3 1 1 A 42 42 SER CA C 42 62.514 62.161 0.353 1
1 456 . 3 1 1 A 42 42 SER N N 42 113.251 115.782 -2.531 1
1 457 . 3 1 1 A 43 43 ALA H H 43 7.494 8.162 -0.668 1
1 458 . 3 1 1 A 43 43 ALA HA H 43 3.916 4.170 -0.254 1
1 462 . 3 1 1 A 43 43 ALA C C 43 179.884 179.148 0.736 1
1 463 . 3 1 1 A 43 43 ALA CA C 43 55.172 54.905 0.267 1
1 464 . 3 1 1 A 43 43 ALA CB C 43 19.490 18.712 0.778 1
1 465 . 3 1 1 A 43 43 ALA N N 43 123.328 123.190 0.138 1
1 466 . 3 1 1 A 44 44 TYR H H 44 8.662 8.582 0.080 1
1 467 . 3 1 1 A 44 44 TYR HA H 44 3.742 4.070 -0.328 1
1 474 . 3 1 1 A 44 44 TYR C C 44 177.593 177.347 0.246 1
1 475 . 3 1 1 A 44 44 TYR CA C 44 62.514 61.704 0.810 1
1 476 . 3 1 1 A 44 44 TYR CB C 44 39.211 38.566 0.645 1
1 481 . 3 1 1 A 44 44 TYR N N 44 119.611 119.637 -0.026 1
1 482 . 3 1 1 A 45 45 ILE H H 45 8.445 8.874 -0.429 1
1 483 . 3 1 1 A 45 45 ILE HA H 45 3.138 3.687 -0.549 1
1 493 . 3 1 1 A 45 45 ILE C C 45 177.462 177.986 -0.524 1
1 494 . 3 1 1 A 45 45 ILE CA C 45 66.393 64.863 1.530 1
1 495 . 3 1 1 A 45 45 ILE CB C 45 37.810 37.891 -0.081 1
1 499 . 3 1 1 A 45 45 ILE N N 45 118.859 121.150 -2.291 1
1 500 . 3 1 1 A 46 46 ARG H H 46 8.026 7.796 0.230 1
1 501 . 3 1 1 A 46 46 ARG HA H 46 3.635 4.030 -0.395 1
1 506 . 3 1 1 A 46 46 ARG C C 46 177.462 178.090 -0.628 1
1 507 . 3 1 1 A 46 46 ARG CA C 46 60.816 58.733 2.083 1
1 508 . 3 1 1 A 46 46 ARG CB C 46 30.287 30.221 0.066 1
1 510 . 3 1 1 A 46 46 ARG N N 46 117.983 120.853 -2.870 1
1 511 . 3 1 1 A 47 47 ASN H H 47 8.026 8.607 -0.581 1
1 512 . 3 1 1 A 47 47 ASN HA H 47 4.078 4.327 -0.249 1
1 517 . 3 1 1 A 47 47 ASN C C 47 177.648 177.299 0.349 1
1 518 . 3 1 1 A 47 47 ASN CA C 47 56.329 56.913 -0.584 1
1 519 . 3 1 1 A 47 47 ASN CB C 47 38.112 39.408 -1.296 1
1 520 . 3 1 1 A 47 47 ASN N N 47 115.323 117.912 -2.589 1
1 522 . 3 1 1 A 48 48 ALA H H 48 7.809 7.959 -0.150 1
1 523 . 3 1 1 A 48 48 ALA HA H 48 3.792 3.890 -0.098 1
1 527 . 3 1 1 A 48 48 ALA C C 48 179.325 180.042 -0.717 1
1 528 . 3 1 1 A 48 48 ALA CA C 48 54.393 54.709 -0.316 1
1 529 . 3 1 1 A 48 48 ALA CB C 48 16.905 17.954 -1.049 1
1 530 . 3 1 1 A 48 48 ALA N N 48 121.450 121.238 0.212 1
1 531 . 3 1 1 A 49 49 ALA H H 49 7.863 7.840 0.023 1
1 532 . 3 1 1 A 49 49 ALA HA H 49 3.821 4.065 -0.244 1
1 536 . 3 1 1 A 49 49 ALA C C 49 178.503 180.426 -1.923 1
1 537 . 3 1 1 A 49 49 ALA CA C 49 54.016 54.914 -0.898 1
1 538 . 3 1 1 A 49 49 ALA CB C 49 19.693 18.590 1.103 1
1 539 . 3 1 1 A 49 49 ALA N N 49 117.188 120.545 -3.357 1
1 540 . 3 1 1 A 50 50 LEU H H 50 7.610 8.179 -0.569 1
1 541 . 3 1 1 A 50 50 LEU HA H 50 4.062 4.045 0.017 1
1 551 . 3 1 1 A 50 50 LEU C C 50 176.716 178.839 -2.123 1
1 552 . 3 1 1 A 50 50 LEU CA C 50 55.766 57.755 -1.989 1
1 553 . 3 1 1 A 50 50 LEU CB C 50 43.320 41.444 1.876 1
1 557 . 3 1 1 A 50 50 LEU N N 50 116.113 120.358 -4.245 1
1 6 . 4 1 1 A 2 2 ASP HA H 2 4.569 4.818 -0.249 1
1 9 . 4 1 1 A 2 2 ASP C C 2 176.530 176.055 0.475 1
1 10 . 4 1 1 A 2 2 ASP CA C 2 54.589 54.288 0.301 1
1 11 . 4 1 1 A 2 2 ASP CB C 2 41.462 42.755 -1.293 1
1 12 . 4 1 1 A 3 3 SER H H 3 8.267 7.708 0.559 1
1 13 . 4 1 1 A 3 3 SER HA H 3 4.276 4.381 -0.105 1
1 16 . 4 1 1 A 3 3 SER C C 3 174.667 175.520 -0.853 1
1 17 . 4 1 1 A 3 3 SER CA C 3 58.605 57.714 0.891 1
1 18 . 4 1 1 A 3 3 SER CB C 3 63.763 63.833 -0.070 1
1 19 . 4 1 1 A 3 3 SER N N 3 116.529 115.270 1.259 1
1 20 . 4 1 1 A 4 4 ALA H H 4 8.196 8.413 -0.217 1
1 21 . 4 1 1 A 4 4 ALA HA H 4 4.179 4.397 -0.218 1
1 25 . 4 1 1 A 4 4 ALA C C 4 178.021 177.033 0.988 1
1 26 . 4 1 1 A 4 4 ALA CA C 4 52.977 52.075 0.902 1
1 27 . 4 1 1 A 4 4 ALA CB C 4 19.202 19.634 -0.432 1
1 28 . 4 1 1 A 4 4 ALA N N 4 125.751 130.985 -5.234 1
1 29 . 4 1 1 A 5 5 VAL H H 5 7.811 7.895 -0.084 1
1 30 . 4 1 1 A 5 5 VAL HA H 5 3.912 3.700 0.212 1
1 38 . 4 1 1 A 5 5 VAL C C 5 176.344 174.905 1.439 1
1 39 . 4 1 1 A 5 5 VAL CA C 5 62.506 62.996 -0.490 1
1 40 . 4 1 1 A 5 5 VAL CB C 5 32.588 29.561 3.027 1
1 43 . 4 1 1 A 5 5 VAL N N 5 118.872 116.143 2.729 1
1 44 . 4 1 1 A 6 6 ARG H H 6 8.146 8.153 -0.007 1
1 45 . 4 1 1 A 6 6 ARG HA H 6 4.195 4.331 -0.136 1
1 50 . 4 1 1 A 6 6 ARG C C 6 176.344 175.955 0.389 1
1 51 . 4 1 1 A 6 6 ARG CA C 6 56.173 56.759 -0.586 1
1 52 . 4 1 1 A 6 6 ARG CB C 6 30.859 30.721 0.138 1
1 54 . 4 1 1 A 6 6 ARG N N 6 124.824 122.282 2.542 1
1 55 . 4 1 1 A 7 7 LYS H H 7 8.207 8.865 -0.658 1
1 56 . 4 1 1 A 7 7 LYS C C 7 176.792 176.057 0.735 1
1 57 . 4 1 1 A 7 7 LYS N N 7 123.109 125.792 -2.683 1
1 58 . 4 1 1 A 8 8 LYS H H 8 8.258 7.541 0.717 1
1 59 . 4 1 1 A 8 8 LYS C C 8 176.903 176.407 0.496 1
1 60 . 4 1 1 A 8 8 LYS N N 8 122.855 116.279 6.576 1
1 61 . 4 1 1 A 9 9 SER H H 9 8.197 8.862 -0.665 1
1 62 . 4 1 1 A 9 9 SER HA H 9 4.243 4.217 0.026 1
1 65 . 4 1 1 A 9 9 SER C C 9 174.667 174.751 -0.084 1
1 66 . 4 1 1 A 9 9 SER CA C 9 58.831 61.741 -2.910 1
1 67 . 4 1 1 A 9 9 SER CB C 9 63.763 63.153 0.610 1
1 68 . 4 1 1 A 9 9 SER N N 9 116.772 120.779 -4.007 1
1 69 . 4 1 1 A 10 10 GLU H H 10 8.280 7.780 0.500 1
1 70 . 4 1 1 A 10 10 GLU HA H 10 4.201 4.858 -0.657 1
1 73 . 4 1 1 A 10 10 GLU C C 10 176.530 174.855 1.675 1
1 74 . 4 1 1 A 10 10 GLU CA C 10 56.610 55.525 1.085 1
1 75 . 4 1 1 A 10 10 GLU CB C 10 30.511 34.319 -3.808 1
1 76 . 4 1 1 A 10 10 GLU N N 10 123.218 117.799 5.419 1
1 77 . 4 1 1 A 11 11 VAL H H 11 8.032 8.455 -0.423 1
1 78 . 4 1 1 A 11 11 VAL HA H 11 3.888 4.520 -0.632 1
1 86 . 4 1 1 A 11 11 VAL C C 11 176.344 176.093 0.251 1
1 87 . 4 1 1 A 11 11 VAL CA C 11 62.778 61.699 1.079 1
1 88 . 4 1 1 A 11 11 VAL CB C 11 32.229 34.332 -2.103 1
1 91 . 4 1 1 A 11 11 VAL N N 11 121.505 121.387 0.118 1
1 92 . 4 1 1 A 12 12 ARG H H 12 8.269 8.695 -0.426 1
1 93 . 4 1 1 A 12 12 ARG HA H 12 4.195 4.081 0.114 1
1 98 . 4 1 1 A 12 12 ARG C C 12 176.344 176.952 -0.608 1
1 99 . 4 1 1 A 12 12 ARG CA C 12 56.173 59.631 -3.458 1
1 100 . 4 1 1 A 12 12 ARG CB C 12 30.859 30.403 0.456 1
1 102 . 4 1 1 A 12 12 ARG N N 12 124.717 127.478 -2.761 1
1 103 . 4 1 1 A 13 13 GLN H H 13 8.246 7.812 0.434 1
1 104 . 4 1 1 A 13 13 GLN HA H 13 4.208 4.597 -0.389 1
1 111 . 4 1 1 A 13 13 GLN C C 13 175.971 176.034 -0.063 1
1 112 . 4 1 1 A 13 13 GLN CA C 13 55.916 54.747 1.169 1
1 113 . 4 1 1 A 13 13 GLN CB C 13 29.864 28.942 0.922 1
1 115 . 4 1 1 A 13 13 GLN N N 13 121.386 115.666 5.720 1
1 117 . 4 1 1 A 14 14 LYS H H 14 8.276 8.346 -0.070 1
1 118 . 4 1 1 A 14 14 LYS HA H 14 4.149 4.088 0.061 1
1 127 . 4 1 1 A 14 14 LYS C C 14 175.971 176.498 -0.527 1
1 128 . 4 1 1 A 14 14 LYS CA C 14 56.518 58.971 -2.453 1
1 129 . 4 1 1 A 14 14 LYS CB C 14 33.073 32.018 1.055 1
1 133 . 4 1 1 A 14 14 LYS N N 14 123.021 120.604 2.417 1
1 134 . 4 1 1 A 15 15 THR H H 15 7.720 7.559 0.161 1
1 135 . 4 1 1 A 15 15 THR HA H 15 4.225 4.337 -0.112 1
1 140 . 4 1 1 A 15 15 THR C C 15 173.801 173.583 0.218 1
1 141 . 4 1 1 A 15 15 THR CA C 15 62.211 61.971 0.240 1
1 142 . 4 1 1 A 15 15 THR CB C 15 70.979 70.086 0.893 1
1 144 . 4 1 1 A 15 15 THR N N 15 114.171 116.085 -1.914 1
1 145 . 4 1 1 A 16 16 VAL H H 16 9.143 8.363 0.780 1
1 146 . 4 1 1 A 16 16 VAL HA H 16 4.004 4.966 -0.962 1
1 154 . 4 1 1 A 16 16 VAL C C 16 174.853 174.872 -0.019 1
1 155 . 4 1 1 A 16 16 VAL CA C 16 62.452 60.490 1.962 1
1 156 . 4 1 1 A 16 16 VAL CB C 16 33.361 35.148 -1.787 1
1 159 . 4 1 1 A 16 16 VAL N N 16 126.087 123.764 2.323 1
1 160 . 4 1 1 A 17 17 VAL H H 17 8.364 8.697 -0.333 1
1 161 . 4 1 1 A 17 17 VAL HA H 17 4.653 4.907 -0.254 1
1 169 . 4 1 1 A 17 17 VAL C C 17 176.716 173.998 2.718 1
1 170 . 4 1 1 A 17 17 VAL CA C 17 61.419 60.222 1.197 1
1 171 . 4 1 1 A 17 17 VAL CB C 17 33.022 35.089 -2.067 1
1 174 . 4 1 1 A 17 17 VAL N N 17 127.119 122.259 4.860 1
1 175 . 4 1 1 A 18 18 ARG H H 18 9.038 8.708 0.330 1
1 176 . 4 1 1 A 18 18 ARG HA H 18 4.669 4.754 -0.085 1
1 181 . 4 1 1 A 18 18 ARG C C 18 174.480 173.972 0.508 1
1 182 . 4 1 1 A 18 18 ARG CA C 18 54.148 55.235 -1.087 1
1 183 . 4 1 1 A 18 18 ARG CB C 18 33.202 34.521 -1.319 1
1 185 . 4 1 1 A 18 18 ARG N N 18 126.432 127.860 -1.428 1
1 186 . 4 1 1 A 19 19 THR H H 19 8.536 8.537 -0.001 1
1 187 . 4 1 1 A 19 19 THR HA H 19 4.727 4.952 -0.225 1
1 192 . 4 1 1 A 19 19 THR C C 19 173.644 173.669 -0.025 1
1 193 . 4 1 1 A 19 19 THR CA C 19 62.000 61.849 0.151 1
1 194 . 4 1 1 A 19 19 THR CB C 19 69.919 70.479 -0.560 1
1 196 . 4 1 1 A 19 19 THR N N 19 118.670 118.129 0.541 1
1 197 . 4 1 1 A 20 20 LEU H H 20 8.972 8.859 0.113 1
1 198 . 4 1 1 A 20 20 LEU HA H 20 4.430 4.859 -0.429 1
1 208 . 4 1 1 A 20 20 LEU C C 20 174.294 176.034 -1.740 1
1 209 . 4 1 1 A 20 20 LEU CA C 20 52.892 54.087 -1.195 1
1 210 . 4 1 1 A 20 20 LEU CB C 20 45.825 43.925 1.900 1
1 214 . 4 1 1 A 20 20 LEU N N 20 128.320 125.938 2.382 1
1 215 . 4 1 1 A 21 21 ARG H H 21 7.938 8.724 -0.786 1
1 216 . 4 1 1 A 21 21 ARG HA H 21 4.945 4.696 0.249 1
1 223 . 4 1 1 A 21 21 ARG C C 21 175.333 175.928 -0.595 1
1 224 . 4 1 1 A 21 21 ARG CA C 21 54.721 56.667 -1.946 1
1 225 . 4 1 1 A 21 21 ARG CB C 21 32.512 31.437 1.075 1
1 228 . 4 1 1 A 21 21 ARG N N 21 119.462 124.418 -4.956 1
1 229 . 4 1 1 A 22 22 PHE H H 22 9.021 8.930 0.091 1
1 230 . 4 1 1 A 22 22 PHE HA H 22 4.777 5.118 -0.341 1
1 238 . 4 1 1 A 22 22 PHE C C 22 175.039 174.605 0.434 1
1 239 . 4 1 1 A 22 22 PHE CA C 22 56.549 56.477 0.072 1
1 240 . 4 1 1 A 22 22 PHE CB C 22 43.356 43.667 -0.311 1
1 246 . 4 1 1 A 22 22 PHE N N 22 120.286 119.848 0.438 1
1 247 . 4 1 1 A 23 23 SER H H 23 9.411 9.211 0.200 1
1 248 . 4 1 1 A 23 23 SER HA H 23 4.937 4.857 0.080 1
1 249 . 4 1 1 A 23 23 SER C C 23 177.544 174.627 2.917 1
1 250 . 4 1 1 A 23 23 SER CA C 23 56.727 56.897 -0.170 1
1 251 . 4 1 1 A 23 23 SER N N 23 119.420 118.656 0.764 1
1 252 . 4 1 1 A 24 24 PRO HA H 24 4.095 4.320 -0.225 1
1 259 . 4 1 1 A 24 24 PRO C C 24 179.325 178.790 0.535 1
1 260 . 4 1 1 A 24 24 PRO CA C 24 66.570 65.095 1.475 1
1 261 . 4 1 1 A 24 24 PRO CB C 24 31.862 31.914 -0.052 1
1 264 . 4 1 1 A 25 25 VAL H H 25 7.563 7.352 0.211 1
1 265 . 4 1 1 A 25 25 VAL HA H 25 3.779 3.788 -0.009 1
1 273 . 4 1 1 A 25 25 VAL C C 25 178.846 177.831 1.015 1
1 274 . 4 1 1 A 25 25 VAL CA C 25 65.693 65.635 0.058 1
1 275 . 4 1 1 A 25 25 VAL CB C 25 32.040 31.790 0.250 1
1 278 . 4 1 1 A 25 25 VAL N N 25 116.405 116.571 -0.166 1
1 279 . 4 1 1 A 26 26 GLU H H 26 7.512 8.549 -1.037 1
1 280 . 4 1 1 A 26 26 GLU HA H 26 3.838 3.962 -0.124 1
1 285 . 4 1 1 A 26 26 GLU C C 26 178.766 178.642 0.124 1
1 286 . 4 1 1 A 26 26 GLU CA C 26 58.902 60.449 -1.547 1
1 287 . 4 1 1 A 26 26 GLU CB C 26 30.798 29.508 1.290 1
1 289 . 4 1 1 A 26 26 GLU N N 26 122.557 118.843 3.714 1
1 290 . 4 1 1 A 27 27 ASP H H 27 8.669 8.625 0.044 1
1 291 . 4 1 1 A 27 27 ASP HA H 27 3.900 4.221 -0.321 1
1 294 . 4 1 1 A 27 27 ASP C C 27 177.586 178.342 -0.756 1
1 295 . 4 1 1 A 27 27 ASP CA C 27 57.954 57.493 0.461 1
1 296 . 4 1 1 A 27 27 ASP CB C 27 43.617 41.722 1.895 1
1 297 . 4 1 1 A 27 27 ASP N N 27 118.012 119.771 -1.759 1
1 298 . 4 1 1 A 28 28 GLU H H 28 7.875 8.147 -0.272 1
1 299 . 4 1 1 A 28 28 GLU HA H 28 3.738 3.973 -0.235 1
1 302 . 4 1 1 A 28 28 GLU C C 28 178.837 179.162 -0.325 1
1 303 . 4 1 1 A 28 28 GLU CA C 28 59.710 59.397 0.313 1
1 304 . 4 1 1 A 28 28 GLU CB C 28 29.550 29.520 0.030 1
1 305 . 4 1 1 A 28 28 GLU N N 28 118.040 119.066 -1.026 1
1 306 . 4 1 1 A 29 29 THR H H 29 7.662 8.003 -0.341 1
1 307 . 4 1 1 A 29 29 THR HA H 29 3.739 3.862 -0.123 1
1 312 . 4 1 1 A 29 29 THR C C 29 176.344 176.303 0.041 1
1 313 . 4 1 1 A 29 29 THR CA C 29 66.756 67.094 -0.338 1
1 314 . 4 1 1 A 29 29 THR CB C 29 68.663 68.635 0.028 1
1 316 . 4 1 1 A 29 29 THR N N 29 116.635 116.679 -0.044 1
1 317 . 4 1 1 A 30 30 ILE H H 30 7.875 8.275 -0.400 1
1 318 . 4 1 1 A 30 30 ILE HA H 30 3.159 3.463 -0.304 1
1 328 . 4 1 1 A 30 30 ILE C C 30 176.903 178.031 -1.128 1
1 329 . 4 1 1 A 30 30 ILE CA C 30 65.390 65.268 0.122 1
1 330 . 4 1 1 A 30 30 ILE CB C 30 37.356 37.562 -0.206 1
1 334 . 4 1 1 A 30 30 ILE N N 30 121.804 120.310 1.494 1
1 335 . 4 1 1 A 31 31 ARG H H 31 8.502 8.051 0.451 1
1 336 . 4 1 1 A 31 31 ARG HA H 31 3.508 3.800 -0.292 1
1 343 . 4 1 1 A 31 31 ARG C C 31 179.262 178.324 0.938 1
1 344 . 4 1 1 A 31 31 ARG CA C 31 60.462 59.115 1.347 1
1 345 . 4 1 1 A 31 31 ARG CB C 31 30.075 29.861 0.214 1
1 348 . 4 1 1 A 31 31 ARG N N 31 119.175 121.008 -1.833 1
1 349 . 4 1 1 A 32 32 LYS H H 32 7.497 7.712 -0.215 1
1 350 . 4 1 1 A 32 32 LYS HA H 32 3.884 3.991 -0.107 1
1 357 . 4 1 1 A 32 32 LYS C C 32 178.207 179.400 -1.193 1
1 358 . 4 1 1 A 32 32 LYS CA C 32 59.176 59.420 -0.244 1
1 359 . 4 1 1 A 32 32 LYS CB C 32 32.020 32.154 -0.134 1
1 362 . 4 1 1 A 32 32 LYS N N 32 119.486 118.987 0.499 1
1 363 . 4 1 1 A 33 33 LYS H H 33 7.540 8.060 -0.520 1
1 366 . 4 1 1 A 33 33 LYS C C 33 179.884 178.793 1.091 1
1 367 . 4 1 1 A 33 33 LYS CB C 33 32.095 32.161 -0.066 1
1 368 . 4 1 1 A 33 33 LYS N N 33 119.050 119.564 -0.514 1
1 369 . 4 1 1 A 34 34 ALA H H 34 8.208 7.973 0.235 1
1 370 . 4 1 1 A 34 34 ALA HA H 34 3.448 3.893 -0.445 1
1 374 . 4 1 1 A 34 34 ALA C C 34 179.325 178.790 0.535 1
1 375 . 4 1 1 A 34 34 ALA CA C 34 55.826 55.109 0.717 1
1 376 . 4 1 1 A 34 34 ALA CB C 34 17.665 17.913 -0.248 1
1 377 . 4 1 1 A 34 34 ALA N N 34 122.909 121.775 1.134 1
1 378 . 4 1 1 A 35 35 GLU H H 35 7.997 7.904 0.093 1
1 379 . 4 1 1 A 35 35 GLU HA H 35 3.877 4.068 -0.191 1
1 382 . 4 1 1 A 35 35 GLU C C 35 181.002 178.037 2.965 1
1 383 . 4 1 1 A 35 35 GLU CA C 35 59.737 58.895 0.842 1
1 384 . 4 1 1 A 35 35 GLU CB C 35 29.381 29.071 0.310 1
1 385 . 4 1 1 A 35 35 GLU N N 35 119.482 118.393 1.089 1
1 386 . 4 1 1 A 36 36 ASP H H 36 8.405 8.295 0.110 1
1 387 . 4 1 1 A 36 36 ASP HA H 36 4.279 4.399 -0.120 1
1 390 . 4 1 1 A 36 36 ASP C C 36 177.834 177.973 -0.139 1
1 391 . 4 1 1 A 36 36 ASP CA C 36 57.178 57.175 0.003 1
1 392 . 4 1 1 A 36 36 ASP CB C 36 40.502 40.996 -0.494 1
1 393 . 4 1 1 A 36 36 ASP N N 36 120.553 120.496 0.057 1
1 394 . 4 1 1 A 37 37 SER H H 37 7.481 8.011 -0.530 1
1 395 . 4 1 1 A 37 37 SER HA H 37 4.450 4.539 -0.089 1
1 398 . 4 1 1 A 37 37 SER C C 37 174.294 174.897 -0.603 1
1 399 . 4 1 1 A 37 37 SER CA C 37 59.149 58.286 0.863 1
1 400 . 4 1 1 A 37 37 SER CB C 37 64.866 63.699 1.167 1
1 401 . 4 1 1 A 37 37 SER N N 37 112.666 112.975 -0.309 1
1 402 . 4 1 1 A 38 38 GLY H H 38 7.871 8.240 -0.369 1
1 403 . 4 1 1 A 38 38 GLY HA2 H 38 3.895 3.899 -0.004 1
1 404 . 4 1 1 A 38 38 GLY HA3 H 38 3.772 3.908 -0.136 1
1 405 . 4 1 1 A 38 38 GLY C C 38 174.108 174.073 0.035 1
1 406 . 4 1 1 A 38 38 GLY CA C 38 46.433 45.860 0.573 1
1 407 . 4 1 1 A 38 38 GLY N N 38 110.893 110.177 0.716 1
1 408 . 4 1 1 A 39 39 LEU H H 39 7.850 7.699 0.151 1
1 409 . 4 1 1 A 39 39 LEU HA H 39 4.782 4.728 0.054 1
1 419 . 4 1 1 A 39 39 LEU C C 39 177.538 175.966 1.572 1
1 420 . 4 1 1 A 39 39 LEU CA C 39 53.141 53.578 -0.437 1
1 421 . 4 1 1 A 39 39 LEU CB C 39 47.097 43.486 3.611 1
1 425 . 4 1 1 A 39 39 LEU N N 39 119.947 122.093 -2.146 1
1 426 . 4 1 1 A 40 40 THR H H 40 7.654 8.408 -0.754 1
1 427 . 4 1 1 A 40 40 THR HA H 40 4.234 4.525 -0.291 1
1 432 . 4 1 1 A 40 40 THR C C 40 175.658 175.810 -0.152 1
1 433 . 4 1 1 A 40 40 THR CA C 40 61.188 61.768 -0.580 1
1 434 . 4 1 1 A 40 40 THR CB C 40 70.501 69.557 0.944 1
1 436 . 4 1 1 A 40 40 THR N N 40 109.345 115.822 -6.477 1
1 437 . 4 1 1 A 41 41 VAL H H 41 8.721 8.800 -0.079 1
1 438 . 4 1 1 A 41 41 VAL HA H 41 3.239 3.670 -0.431 1
1 446 . 4 1 1 A 41 41 VAL C C 41 178.021 177.494 0.527 1
1 447 . 4 1 1 A 41 41 VAL CA C 41 68.189 66.578 1.611 1
1 448 . 4 1 1 A 41 41 VAL CB C 41 31.300 31.483 -0.183 1
1 451 . 4 1 1 A 41 41 VAL N N 41 121.470 128.047 -6.577 1
1 452 . 4 1 1 A 42 42 SER H H 42 8.424 8.272 0.152 1
1 453 . 4 1 1 A 42 42 SER HA H 42 3.742 4.173 -0.431 1
1 454 . 4 1 1 A 42 42 SER C C 42 175.785 176.938 -1.153 1
1 455 . 4 1 1 A 42 42 SER CA C 42 62.514 61.319 1.195 1
1 456 . 4 1 1 A 42 42 SER N N 42 113.251 114.167 -0.916 1
1 457 . 4 1 1 A 43 43 ALA H H 43 7.494 7.884 -0.390 1
1 458 . 4 1 1 A 43 43 ALA HA H 43 3.916 4.047 -0.131 1
1 462 . 4 1 1 A 43 43 ALA C C 43 179.884 179.039 0.845 1
1 463 . 4 1 1 A 43 43 ALA CA C 43 55.172 54.993 0.179 1
1 464 . 4 1 1 A 43 43 ALA CB C 43 19.490 18.827 0.663 1
1 465 . 4 1 1 A 43 43 ALA N N 43 123.328 123.229 0.099 1
1 466 . 4 1 1 A 44 44 TYR H H 44 8.662 8.784 -0.122 1
1 467 . 4 1 1 A 44 44 TYR HA H 44 3.742 4.074 -0.332 1
1 474 . 4 1 1 A 44 44 TYR C C 44 177.593 177.371 0.222 1
1 475 . 4 1 1 A 44 44 TYR CA C 44 62.514 61.639 0.875 1
1 476 . 4 1 1 A 44 44 TYR CB C 44 39.211 38.636 0.575 1
1 481 . 4 1 1 A 44 44 TYR N N 44 119.611 119.713 -0.102 1
1 482 . 4 1 1 A 45 45 ILE H H 45 8.445 8.451 -0.006 1
1 483 . 4 1 1 A 45 45 ILE HA H 45 3.138 3.669 -0.531 1
1 493 . 4 1 1 A 45 45 ILE C C 45 177.462 177.890 -0.428 1
1 494 . 4 1 1 A 45 45 ILE CA C 45 66.393 64.849 1.544 1
1 495 . 4 1 1 A 45 45 ILE CB C 45 37.810 37.844 -0.034 1
1 499 . 4 1 1 A 45 45 ILE N N 45 118.859 121.171 -2.312 1
1 500 . 4 1 1 A 46 46 ARG H H 46 8.026 8.030 -0.004 1
1 501 . 4 1 1 A 46 46 ARG HA H 46 3.635 4.049 -0.414 1
1 506 . 4 1 1 A 46 46 ARG C C 46 177.462 178.358 -0.896 1
1 507 . 4 1 1 A 46 46 ARG CA C 46 60.816 58.814 2.002 1
1 508 . 4 1 1 A 46 46 ARG CB C 46 30.287 30.272 0.015 1
1 510 . 4 1 1 A 46 46 ARG N N 46 117.983 120.724 -2.741 1
1 511 . 4 1 1 A 47 47 ASN H H 47 8.026 8.642 -0.616 1
1 512 . 4 1 1 A 47 47 ASN HA H 47 4.078 4.393 -0.315 1
1 517 . 4 1 1 A 47 47 ASN C C 47 177.648 177.258 0.390 1
1 518 . 4 1 1 A 47 47 ASN CA C 47 56.329 56.569 -0.240 1
1 519 . 4 1 1 A 47 47 ASN CB C 47 38.112 39.234 -1.122 1
1 520 . 4 1 1 A 47 47 ASN N N 47 115.323 118.047 -2.724 1
1 522 . 4 1 1 A 48 48 ALA H H 48 7.809 8.077 -0.268 1
1 523 . 4 1 1 A 48 48 ALA HA H 48 3.792 3.873 -0.081 1
1 527 . 4 1 1 A 48 48 ALA C C 48 179.325 180.086 -0.761 1
1 528 . 4 1 1 A 48 48 ALA CA C 48 54.393 54.692 -0.299 1
1 529 . 4 1 1 A 48 48 ALA CB C 48 16.905 17.831 -0.926 1
1 530 . 4 1 1 A 48 48 ALA N N 48 121.450 121.245 0.205 1
1 531 . 4 1 1 A 49 49 ALA H H 49 7.863 7.858 0.005 1
1 532 . 4 1 1 A 49 49 ALA HA H 49 3.821 4.047 -0.226 1
1 536 . 4 1 1 A 49 49 ALA C C 49 178.503 179.362 -0.859 1
1 537 . 4 1 1 A 49 49 ALA CA C 49 54.016 54.537 -0.521 1
1 538 . 4 1 1 A 49 49 ALA CB C 49 19.693 18.263 1.430 1
1 539 . 4 1 1 A 49 49 ALA N N 49 117.188 120.037 -2.849 1
1 540 . 4 1 1 A 50 50 LEU H H 50 7.610 7.454 0.156 1
1 541 . 4 1 1 A 50 50 LEU HA H 50 4.062 4.152 -0.090 1
1 551 . 4 1 1 A 50 50 LEU C C 50 176.716 178.897 -2.181 1
1 552 . 4 1 1 A 50 50 LEU CA C 50 55.766 57.100 -1.334 1
1 553 . 4 1 1 A 50 50 LEU CB C 50 43.320 41.763 1.557 1
1 557 . 4 1 1 A 50 50 LEU N N 50 116.113 118.747 -2.634 1
1 6 . 5 1 1 A 2 2 ASP HA H 2 4.569 5.130 -0.561 1
1 9 . 5 1 1 A 2 2 ASP C C 2 176.530 173.981 2.549 1
1 10 . 5 1 1 A 2 2 ASP CA C 2 54.589 52.865 1.724 1
1 11 . 5 1 1 A 2 2 ASP CB C 2 41.462 44.483 -3.021 1
1 12 . 5 1 1 A 3 3 SER H H 3 8.267 8.699 -0.432 1
1 13 . 5 1 1 A 3 3 SER HA H 3 4.276 5.003 -0.727 1
1 16 . 5 1 1 A 3 3 SER C C 3 174.667 174.817 -0.150 1
1 17 . 5 1 1 A 3 3 SER CA C 3 58.605 57.593 1.012 1
1 18 . 5 1 1 A 3 3 SER CB C 3 63.763 66.829 -3.066 1
1 19 . 5 1 1 A 3 3 SER N N 3 116.529 115.449 1.080 1
1 20 . 5 1 1 A 4 4 ALA H H 4 8.196 8.559 -0.363 1
1 21 . 5 1 1 A 4 4 ALA HA H 4 4.179 4.225 -0.046 1
1 25 . 5 1 1 A 4 4 ALA C C 4 178.021 177.329 0.692 1
1 26 . 5 1 1 A 4 4 ALA CA C 4 52.977 53.833 -0.856 1
1 27 . 5 1 1 A 4 4 ALA CB C 4 19.202 19.299 -0.097 1
1 28 . 5 1 1 A 4 4 ALA N N 4 125.751 124.471 1.280 1
1 29 . 5 1 1 A 5 5 VAL H H 5 7.811 7.350 0.461 1
1 30 . 5 1 1 A 5 5 VAL HA H 5 3.912 4.449 -0.537 1
1 38 . 5 1 1 A 5 5 VAL C C 5 176.344 175.749 0.595 1
1 39 . 5 1 1 A 5 5 VAL CA C 5 62.506 60.152 2.354 1
1 40 . 5 1 1 A 5 5 VAL CB C 5 32.588 34.742 -2.154 1
1 43 . 5 1 1 A 5 5 VAL N N 5 118.872 112.782 6.090 1
1 44 . 5 1 1 A 6 6 ARG H H 6 8.146 8.732 -0.586 1
1 45 . 5 1 1 A 6 6 ARG HA H 6 4.195 4.068 0.127 1
1 50 . 5 1 1 A 6 6 ARG C C 6 176.344 176.235 0.109 1
1 51 . 5 1 1 A 6 6 ARG CA C 6 56.173 58.762 -2.589 1
1 52 . 5 1 1 A 6 6 ARG CB C 6 30.859 30.413 0.446 1
1 54 . 5 1 1 A 6 6 ARG N N 6 124.824 125.550 -0.726 1
1 55 . 5 1 1 A 7 7 LYS H H 7 8.207 7.970 0.237 1
1 56 . 5 1 1 A 7 7 LYS C C 7 176.792 175.949 0.843 1
1 57 . 5 1 1 A 7 7 LYS N N 7 123.109 116.828 6.281 1
1 58 . 5 1 1 A 8 8 LYS H H 8 8.258 7.788 0.470 1
1 59 . 5 1 1 A 8 8 LYS C C 8 176.903 175.062 1.841 1
1 60 . 5 1 1 A 8 8 LYS N N 8 122.855 122.389 0.466 1
1 61 . 5 1 1 A 9 9 SER H H 9 8.197 8.890 -0.693 1
1 62 . 5 1 1 A 9 9 SER HA H 9 4.243 5.119 -0.876 1
1 65 . 5 1 1 A 9 9 SER C C 9 174.667 173.454 1.213 1
1 66 . 5 1 1 A 9 9 SER CA C 9 58.831 56.103 2.728 1
1 67 . 5 1 1 A 9 9 SER CB C 9 63.763 65.927 -2.164 1
1 68 . 5 1 1 A 9 9 SER N N 9 116.772 120.264 -3.492 1
1 69 . 5 1 1 A 10 10 GLU H H 10 8.280 8.692 -0.412 1
1 70 . 5 1 1 A 10 10 GLU HA H 10 4.201 4.414 -0.213 1
1 73 . 5 1 1 A 10 10 GLU C C 10 176.530 177.780 -1.250 1
1 74 . 5 1 1 A 10 10 GLU CA C 10 56.610 56.707 -0.097 1
1 75 . 5 1 1 A 10 10 GLU CB C 10 30.511 31.183 -0.672 1
1 76 . 5 1 1 A 10 10 GLU N N 10 123.218 122.651 0.567 1
1 77 . 5 1 1 A 11 11 VAL H H 11 8.032 8.629 -0.597 1
1 78 . 5 1 1 A 11 11 VAL HA H 11 3.888 3.676 0.212 1
1 86 . 5 1 1 A 11 11 VAL C C 11 176.344 176.318 0.026 1
1 87 . 5 1 1 A 11 11 VAL CA C 11 62.778 66.551 -3.773 1
1 88 . 5 1 1 A 11 11 VAL CB C 11 32.229 32.126 0.103 1
1 91 . 5 1 1 A 11 11 VAL N N 11 121.505 125.785 -4.280 1
1 92 . 5 1 1 A 12 12 ARG H H 12 8.269 7.810 0.459 1
1 93 . 5 1 1 A 12 12 ARG HA H 12 4.195 4.771 -0.576 1
1 98 . 5 1 1 A 12 12 ARG C C 12 176.344 174.800 1.544 1
1 99 . 5 1 1 A 12 12 ARG CA C 12 56.173 54.586 1.587 1
1 100 . 5 1 1 A 12 12 ARG CB C 12 30.859 32.719 -1.860 1
1 102 . 5 1 1 A 12 12 ARG N N 12 124.717 120.731 3.986 1
1 103 . 5 1 1 A 13 13 GLN H H 13 8.246 8.606 -0.360 1
1 104 . 5 1 1 A 13 13 GLN HA H 13 4.208 4.353 -0.145 1
1 111 . 5 1 1 A 13 13 GLN C C 13 175.971 176.415 -0.444 1
1 112 . 5 1 1 A 13 13 GLN CA C 13 55.916 54.855 1.061 1
1 113 . 5 1 1 A 13 13 GLN CB C 13 29.864 28.127 1.737 1
1 115 . 5 1 1 A 13 13 GLN N N 13 121.386 126.284 -4.898 1
1 117 . 5 1 1 A 14 14 LYS H H 14 8.276 8.143 0.133 1
1 118 . 5 1 1 A 14 14 LYS HA H 14 4.149 4.063 0.086 1
1 127 . 5 1 1 A 14 14 LYS C C 14 175.971 176.378 -0.407 1
1 128 . 5 1 1 A 14 14 LYS CA C 14 56.518 58.570 -2.052 1
1 129 . 5 1 1 A 14 14 LYS CB C 14 33.073 32.229 0.844 1
1 133 . 5 1 1 A 14 14 LYS N N 14 123.021 124.235 -1.214 1
1 134 . 5 1 1 A 15 15 THR H H 15 7.720 7.679 0.041 1
1 135 . 5 1 1 A 15 15 THR HA H 15 4.225 4.506 -0.281 1
1 140 . 5 1 1 A 15 15 THR C C 15 173.801 174.103 -0.302 1
1 141 . 5 1 1 A 15 15 THR CA C 15 62.211 61.348 0.863 1
1 142 . 5 1 1 A 15 15 THR CB C 15 70.979 70.429 0.550 1
1 144 . 5 1 1 A 15 15 THR N N 15 114.171 115.873 -1.702 1
1 145 . 5 1 1 A 16 16 VAL H H 16 9.143 8.458 0.685 1
1 146 . 5 1 1 A 16 16 VAL HA H 16 4.004 4.621 -0.617 1
1 154 . 5 1 1 A 16 16 VAL C C 16 174.853 174.894 -0.041 1
1 155 . 5 1 1 A 16 16 VAL CA C 16 62.452 61.516 0.936 1
1 156 . 5 1 1 A 16 16 VAL CB C 16 33.361 33.283 0.078 1
1 159 . 5 1 1 A 16 16 VAL N N 16 126.087 125.593 0.494 1
1 160 . 5 1 1 A 17 17 VAL H H 17 8.364 8.612 -0.248 1
1 161 . 5 1 1 A 17 17 VAL HA H 17 4.653 4.811 -0.158 1
1 169 . 5 1 1 A 17 17 VAL C C 17 176.716 174.040 2.676 1
1 170 . 5 1 1 A 17 17 VAL CA C 17 61.419 60.415 1.004 1
1 171 . 5 1 1 A 17 17 VAL CB C 17 33.022 34.161 -1.139 1
1 174 . 5 1 1 A 17 17 VAL N N 17 127.119 124.790 2.329 1
1 175 . 5 1 1 A 18 18 ARG H H 18 9.038 8.939 0.099 1
1 176 . 5 1 1 A 18 18 ARG HA H 18 4.669 4.803 -0.134 1
1 181 . 5 1 1 A 18 18 ARG C C 18 174.480 174.741 -0.261 1
1 182 . 5 1 1 A 18 18 ARG CA C 18 54.148 54.349 -0.201 1
1 183 . 5 1 1 A 18 18 ARG CB C 18 33.202 34.239 -1.037 1
1 185 . 5 1 1 A 18 18 ARG N N 18 126.432 129.759 -3.327 1
1 186 . 5 1 1 A 19 19 THR H H 19 8.536 8.687 -0.151 1
1 187 . 5 1 1 A 19 19 THR HA H 19 4.727 4.735 -0.008 1
1 192 . 5 1 1 A 19 19 THR C C 19 173.644 172.837 0.807 1
1 193 . 5 1 1 A 19 19 THR CA C 19 62.000 62.544 -0.544 1
1 194 . 5 1 1 A 19 19 THR CB C 19 69.919 68.834 1.085 1
1 196 . 5 1 1 A 19 19 THR N N 19 118.670 118.920 -0.250 1
1 197 . 5 1 1 A 20 20 LEU H H 20 8.972 9.014 -0.042 1
1 198 . 5 1 1 A 20 20 LEU HA H 20 4.430 5.040 -0.610 1
1 208 . 5 1 1 A 20 20 LEU C C 20 174.294 175.170 -0.876 1
1 209 . 5 1 1 A 20 20 LEU CA C 20 52.892 53.374 -0.482 1
1 210 . 5 1 1 A 20 20 LEU CB C 20 45.825 44.939 0.886 1
1 214 . 5 1 1 A 20 20 LEU N N 20 128.320 129.444 -1.124 1
1 215 . 5 1 1 A 21 21 ARG H H 21 7.938 8.847 -0.909 1
1 216 . 5 1 1 A 21 21 ARG HA H 21 4.945 4.911 0.034 1
1 223 . 5 1 1 A 21 21 ARG C C 21 175.333 175.239 0.094 1
1 224 . 5 1 1 A 21 21 ARG CA C 21 54.721 55.252 -0.531 1
1 225 . 5 1 1 A 21 21 ARG CB C 21 32.512 32.606 -0.094 1
1 228 . 5 1 1 A 21 21 ARG N N 21 119.462 126.406 -6.944 1
1 229 . 5 1 1 A 22 22 PHE H H 22 9.021 8.961 0.060 1
1 230 . 5 1 1 A 22 22 PHE HA H 22 4.777 5.222 -0.445 1
1 238 . 5 1 1 A 22 22 PHE C C 22 175.039 174.431 0.608 1
1 239 . 5 1 1 A 22 22 PHE CA C 22 56.549 56.358 0.191 1
1 240 . 5 1 1 A 22 22 PHE CB C 22 43.356 43.872 -0.516 1
1 246 . 5 1 1 A 22 22 PHE N N 22 120.286 120.405 -0.119 1
1 247 . 5 1 1 A 23 23 SER H H 23 9.411 8.860 0.551 1
1 248 . 5 1 1 A 23 23 SER HA H 23 4.937 4.916 0.021 1
1 249 . 5 1 1 A 23 23 SER C C 23 177.544 174.707 2.837 1
1 250 . 5 1 1 A 23 23 SER CA C 23 56.727 55.707 1.020 1
1 251 . 5 1 1 A 23 23 SER N N 23 119.420 116.566 2.854 1
1 252 . 5 1 1 A 24 24 PRO HA H 24 4.095 4.336 -0.241 1
1 259 . 5 1 1 A 24 24 PRO C C 24 179.325 178.816 0.509 1
1 260 . 5 1 1 A 24 24 PRO CA C 24 66.570 65.771 0.799 1
1 261 . 5 1 1 A 24 24 PRO CB C 24 31.862 31.850 0.012 1
1 264 . 5 1 1 A 25 25 VAL H H 25 7.563 7.498 0.065 1
1 265 . 5 1 1 A 25 25 VAL HA H 25 3.779 3.781 -0.002 1
1 273 . 5 1 1 A 25 25 VAL C C 25 178.846 178.060 0.786 1
1 274 . 5 1 1 A 25 25 VAL CA C 25 65.693 65.446 0.247 1
1 275 . 5 1 1 A 25 25 VAL CB C 25 32.040 31.355 0.685 1
1 278 . 5 1 1 A 25 25 VAL N N 25 116.405 116.033 0.372 1
1 279 . 5 1 1 A 26 26 GLU H H 26 7.512 8.295 -0.783 1
1 280 . 5 1 1 A 26 26 GLU HA H 26 3.838 4.035 -0.197 1
1 285 . 5 1 1 A 26 26 GLU C C 26 178.766 178.638 0.128 1
1 286 . 5 1 1 A 26 26 GLU CA C 26 58.902 59.735 -0.833 1
1 287 . 5 1 1 A 26 26 GLU CB C 26 30.798 29.422 1.376 1
1 289 . 5 1 1 A 26 26 GLU N N 26 122.557 119.227 3.330 1
1 290 . 5 1 1 A 27 27 ASP H H 27 8.669 8.594 0.075 1
1 291 . 5 1 1 A 27 27 ASP HA H 27 3.900 4.234 -0.334 1
1 294 . 5 1 1 A 27 27 ASP C C 27 177.586 178.366 -0.780 1
1 295 . 5 1 1 A 27 27 ASP CA C 27 57.954 57.697 0.257 1
1 296 . 5 1 1 A 27 27 ASP CB C 27 43.617 42.006 1.611 1
1 297 . 5 1 1 A 27 27 ASP N N 27 118.012 120.426 -2.414 1
1 298 . 5 1 1 A 28 28 GLU H H 28 7.875 8.382 -0.507 1
1 299 . 5 1 1 A 28 28 GLU HA H 28 3.738 3.980 -0.242 1
1 302 . 5 1 1 A 28 28 GLU C C 28 178.837 179.061 -0.224 1
1 303 . 5 1 1 A 28 28 GLU CA C 28 59.710 59.317 0.393 1
1 304 . 5 1 1 A 28 28 GLU CB C 28 29.550 29.790 -0.240 1
1 305 . 5 1 1 A 28 28 GLU N N 28 118.040 118.896 -0.856 1
1 306 . 5 1 1 A 29 29 THR H H 29 7.662 8.046 -0.384 1
1 307 . 5 1 1 A 29 29 THR HA H 29 3.739 3.882 -0.143 1
1 312 . 5 1 1 A 29 29 THR C C 29 176.344 176.319 0.025 1
1 313 . 5 1 1 A 29 29 THR CA C 29 66.756 67.183 -0.427 1
1 314 . 5 1 1 A 29 29 THR CB C 29 68.663 68.920 -0.257 1
1 316 . 5 1 1 A 29 29 THR N N 29 116.635 116.715 -0.080 1
1 317 . 5 1 1 A 30 30 ILE H H 30 7.875 8.210 -0.335 1
1 318 . 5 1 1 A 30 30 ILE HA H 30 3.159 3.286 -0.127 1
1 328 . 5 1 1 A 30 30 ILE C C 30 176.903 177.852 -0.949 1
1 329 . 5 1 1 A 30 30 ILE CA C 30 65.390 65.216 0.174 1
1 330 . 5 1 1 A 30 30 ILE CB C 30 37.356 37.596 -0.240 1
1 334 . 5 1 1 A 30 30 ILE N N 30 121.804 120.754 1.050 1
1 335 . 5 1 1 A 31 31 ARG H H 31 8.502 8.098 0.404 1
1 336 . 5 1 1 A 31 31 ARG HA H 31 3.508 3.771 -0.263 1
1 343 . 5 1 1 A 31 31 ARG C C 31 179.262 178.798 0.464 1
1 344 . 5 1 1 A 31 31 ARG CA C 31 60.462 59.762 0.700 1
1 345 . 5 1 1 A 31 31 ARG CB C 31 30.075 29.753 0.322 1
1 348 . 5 1 1 A 31 31 ARG N N 31 119.175 120.102 -0.927 1
1 349 . 5 1 1 A 32 32 LYS H H 32 7.497 7.682 -0.185 1
1 350 . 5 1 1 A 32 32 LYS HA H 32 3.884 4.026 -0.142 1
1 357 . 5 1 1 A 32 32 LYS C C 32 178.207 178.992 -0.785 1
1 358 . 5 1 1 A 32 32 LYS CA C 32 59.176 59.554 -0.378 1
1 359 . 5 1 1 A 32 32 LYS CB C 32 32.020 32.064 -0.044 1
1 362 . 5 1 1 A 32 32 LYS N N 32 119.486 117.956 1.530 1
1 363 . 5 1 1 A 33 33 LYS H H 33 7.540 8.004 -0.464 1
1 366 . 5 1 1 A 33 33 LYS C C 33 179.884 178.535 1.349 1
1 367 . 5 1 1 A 33 33 LYS CB C 33 32.095 32.160 -0.065 1
1 368 . 5 1 1 A 33 33 LYS N N 33 119.050 120.309 -1.259 1
1 369 . 5 1 1 A 34 34 ALA H H 34 8.208 8.162 0.046 1
1 370 . 5 1 1 A 34 34 ALA HA H 34 3.448 4.066 -0.618 1
1 374 . 5 1 1 A 34 34 ALA C C 34 179.325 178.833 0.492 1
1 375 . 5 1 1 A 34 34 ALA CA C 34 55.826 55.176 0.650 1
1 376 . 5 1 1 A 34 34 ALA CB C 34 17.665 18.157 -0.492 1
1 377 . 5 1 1 A 34 34 ALA N N 34 122.909 121.390 1.519 1
1 378 . 5 1 1 A 35 35 GLU H H 35 7.997 8.158 -0.161 1
1 379 . 5 1 1 A 35 35 GLU HA H 35 3.877 4.097 -0.220 1
1 382 . 5 1 1 A 35 35 GLU C C 35 181.002 178.086 2.916 1
1 383 . 5 1 1 A 35 35 GLU CA C 35 59.737 58.879 0.858 1
1 384 . 5 1 1 A 35 35 GLU CB C 35 29.381 29.185 0.196 1
1 385 . 5 1 1 A 35 35 GLU N N 35 119.482 118.418 1.064 1
1 386 . 5 1 1 A 36 36 ASP H H 36 8.405 8.296 0.109 1
1 387 . 5 1 1 A 36 36 ASP HA H 36 4.279 4.407 -0.128 1
1 390 . 5 1 1 A 36 36 ASP C C 36 177.834 178.065 -0.231 1
1 391 . 5 1 1 A 36 36 ASP CA C 36 57.178 57.479 -0.301 1
1 392 . 5 1 1 A 36 36 ASP CB C 36 40.502 40.910 -0.408 1
1 393 . 5 1 1 A 36 36 ASP N N 36 120.553 120.635 -0.082 1
1 394 . 5 1 1 A 37 37 SER H H 37 7.481 7.977 -0.496 1
1 395 . 5 1 1 A 37 37 SER HA H 37 4.450 4.518 -0.068 1
1 398 . 5 1 1 A 37 37 SER C C 37 174.294 174.861 -0.567 1
1 399 . 5 1 1 A 37 37 SER CA C 37 59.149 58.430 0.719 1
1 400 . 5 1 1 A 37 37 SER CB C 37 64.866 63.703 1.163 1
1 401 . 5 1 1 A 37 37 SER N N 37 112.666 112.893 -0.227 1
1 402 . 5 1 1 A 38 38 GLY H H 38 7.871 8.531 -0.660 1
1 403 . 5 1 1 A 38 38 GLY HA2 H 38 3.895 3.900 -0.005 1
1 404 . 5 1 1 A 38 38 GLY HA3 H 38 3.772 3.906 -0.134 1
1 405 . 5 1 1 A 38 38 GLY C C 38 174.108 174.128 -0.020 1
1 406 . 5 1 1 A 38 38 GLY CA C 38 46.433 45.864 0.569 1
1 407 . 5 1 1 A 38 38 GLY N N 38 110.893 109.787 1.106 1
1 408 . 5 1 1 A 39 39 LEU H H 39 7.850 7.682 0.168 1
1 409 . 5 1 1 A 39 39 LEU HA H 39 4.782 4.439 0.343 1
1 419 . 5 1 1 A 39 39 LEU C C 39 177.538 175.808 1.730 1
1 420 . 5 1 1 A 39 39 LEU CA C 39 53.141 54.073 -0.932 1
1 421 . 5 1 1 A 39 39 LEU CB C 39 47.097 43.067 4.030 1
1 425 . 5 1 1 A 39 39 LEU N N 39 119.947 122.848 -2.901 1
1 426 . 5 1 1 A 40 40 THR H H 40 7.654 8.649 -0.995 1
1 427 . 5 1 1 A 40 40 THR HA H 40 4.234 4.311 -0.077 1
1 432 . 5 1 1 A 40 40 THR C C 40 175.658 175.855 -0.197 1
1 433 . 5 1 1 A 40 40 THR CA C 40 61.188 62.386 -1.198 1
1 434 . 5 1 1 A 40 40 THR CB C 40 70.501 69.325 1.176 1
1 436 . 5 1 1 A 40 40 THR N N 40 109.345 119.698 -10.353 1
1 437 . 5 1 1 A 41 41 VAL H H 41 8.721 8.749 -0.028 1
1 438 . 5 1 1 A 41 41 VAL HA H 41 3.239 3.645 -0.406 1
1 446 . 5 1 1 A 41 41 VAL C C 41 178.021 177.520 0.501 1
1 447 . 5 1 1 A 41 41 VAL CA C 41 68.189 66.670 1.519 1
1 448 . 5 1 1 A 41 41 VAL CB C 41 31.300 31.629 -0.329 1
1 451 . 5 1 1 A 41 41 VAL N N 41 121.470 127.690 -6.220 1
1 452 . 5 1 1 A 42 42 SER H H 42 8.424 8.317 0.107 1
1 453 . 5 1 1 A 42 42 SER HA H 42 3.742 4.234 -0.492 1
1 454 . 5 1 1 A 42 42 SER C C 42 175.785 177.240 -1.455 1
1 455 . 5 1 1 A 42 42 SER CA C 42 62.514 61.573 0.941 1
1 456 . 5 1 1 A 42 42 SER N N 42 113.251 113.941 -0.690 1
1 457 . 5 1 1 A 43 43 ALA H H 43 7.494 7.506 -0.012 1
1 458 . 5 1 1 A 43 43 ALA HA H 43 3.916 4.095 -0.179 1
1 462 . 5 1 1 A 43 43 ALA C C 43 179.884 179.125 0.759 1
1 463 . 5 1 1 A 43 43 ALA CA C 43 55.172 54.941 0.231 1
1 464 . 5 1 1 A 43 43 ALA CB C 43 19.490 18.267 1.223 1
1 465 . 5 1 1 A 43 43 ALA N N 43 123.328 124.354 -1.026 1
1 466 . 5 1 1 A 44 44 TYR H H 44 8.662 8.820 -0.158 1
1 467 . 5 1 1 A 44 44 TYR HA H 44 3.742 4.083 -0.341 1
1 474 . 5 1 1 A 44 44 TYR C C 44 177.593 177.357 0.236 1
1 475 . 5 1 1 A 44 44 TYR CA C 44 62.514 61.628 0.886 1
1 476 . 5 1 1 A 44 44 TYR CB C 44 39.211 38.578 0.633 1
1 481 . 5 1 1 A 44 44 TYR N N 44 119.611 119.682 -0.071 1
1 482 . 5 1 1 A 45 45 ILE H H 45 8.445 8.933 -0.488 1
1 483 . 5 1 1 A 45 45 ILE HA H 45 3.138 3.705 -0.567 1
1 493 . 5 1 1 A 45 45 ILE C C 45 177.462 177.962 -0.500 1
1 494 . 5 1 1 A 45 45 ILE CA C 45 66.393 64.909 1.484 1
1 495 . 5 1 1 A 45 45 ILE CB C 45 37.810 37.902 -0.092 1
1 499 . 5 1 1 A 45 45 ILE N N 45 118.859 121.222 -2.363 1
1 500 . 5 1 1 A 46 46 ARG H H 46 8.026 8.276 -0.250 1
1 501 . 5 1 1 A 46 46 ARG HA H 46 3.635 4.039 -0.404 1
1 506 . 5 1 1 A 46 46 ARG C C 46 177.462 178.358 -0.896 1
1 507 . 5 1 1 A 46 46 ARG CA C 46 60.816 58.899 1.917 1
1 508 . 5 1 1 A 46 46 ARG CB C 46 30.287 30.056 0.231 1
1 510 . 5 1 1 A 46 46 ARG N N 46 117.983 120.699 -2.716 1
1 511 . 5 1 1 A 47 47 ASN H H 47 8.026 8.793 -0.767 1
1 512 . 5 1 1 A 47 47 ASN HA H 47 4.078 4.345 -0.267 1
1 517 . 5 1 1 A 47 47 ASN C C 47 177.648 177.237 0.411 1
1 518 . 5 1 1 A 47 47 ASN CA C 47 56.329 56.879 -0.550 1
1 519 . 5 1 1 A 47 47 ASN CB C 47 38.112 39.324 -1.212 1
1 520 . 5 1 1 A 47 47 ASN N N 47 115.323 118.035 -2.712 1
1 522 . 5 1 1 A 48 48 ALA H H 48 7.809 7.986 -0.177 1
1 523 . 5 1 1 A 48 48 ALA HA H 48 3.792 3.876 -0.084 1
1 527 . 5 1 1 A 48 48 ALA C C 48 179.325 179.467 -0.142 1
1 528 . 5 1 1 A 48 48 ALA CA C 48 54.393 54.706 -0.313 1
1 529 . 5 1 1 A 48 48 ALA CB C 48 16.905 18.055 -1.150 1
1 530 . 5 1 1 A 48 48 ALA N N 48 121.450 121.383 0.067 1
1 531 . 5 1 1 A 49 49 ALA H H 49 7.863 7.620 0.243 1
1 532 . 5 1 1 A 49 49 ALA HA H 49 3.821 4.109 -0.288 1
1 536 . 5 1 1 A 49 49 ALA C C 49 178.503 180.316 -1.813 1
1 537 . 5 1 1 A 49 49 ALA CA C 49 54.016 54.810 -0.794 1
1 538 . 5 1 1 A 49 49 ALA CB C 49 19.693 18.691 1.002 1
1 539 . 5 1 1 A 49 49 ALA N N 49 117.188 120.075 -2.887 1
1 540 . 5 1 1 A 50 50 LEU H H 50 7.610 8.349 -0.739 1
1 541 . 5 1 1 A 50 50 LEU HA H 50 4.062 4.032 0.030 1
1 551 . 5 1 1 A 50 50 LEU C C 50 176.716 178.939 -2.223 1
1 552 . 5 1 1 A 50 50 LEU CA C 50 55.766 57.871 -2.105 1
1 553 . 5 1 1 A 50 50 LEU CB C 50 43.320 41.667 1.653 1
1 557 . 5 1 1 A 50 50 LEU N N 50 116.113 119.570 -3.457 1
1 6 . 6 1 1 A 2 2 ASP HA H 2 4.569 4.996 -0.427 1
1 9 . 6 1 1 A 2 2 ASP C C 2 176.530 175.851 0.679 1
1 10 . 6 1 1 A 2 2 ASP CA C 2 54.589 53.284 1.305 1
1 11 . 6 1 1 A 2 2 ASP CB C 2 41.462 40.483 0.979 1
1 12 . 6 1 1 A 3 3 SER H H 3 8.267 8.832 -0.565 1
1 13 . 6 1 1 A 3 3 SER HA H 3 4.276 4.418 -0.142 1
1 16 . 6 1 1 A 3 3 SER C C 3 174.667 174.545 0.122 1
1 17 . 6 1 1 A 3 3 SER CA C 3 58.605 59.323 -0.718 1
1 18 . 6 1 1 A 3 3 SER CB C 3 63.763 62.714 1.049 1
1 19 . 6 1 1 A 3 3 SER N N 3 116.529 118.890 -2.361 1
1 20 . 6 1 1 A 4 4 ALA H H 4 8.196 6.973 1.223 1
1 21 . 6 1 1 A 4 4 ALA HA H 4 4.179 4.223 -0.044 1
1 25 . 6 1 1 A 4 4 ALA C C 4 178.021 176.951 1.070 1
1 26 . 6 1 1 A 4 4 ALA CA C 4 52.977 52.084 0.893 1
1 27 . 6 1 1 A 4 4 ALA CB C 4 19.202 18.920 0.282 1
1 28 . 6 1 1 A 4 4 ALA N N 4 125.751 124.727 1.024 1
1 29 . 6 1 1 A 5 5 VAL H H 5 7.811 8.805 -0.994 1
1 30 . 6 1 1 A 5 5 VAL HA H 5 3.912 4.096 -0.184 1
1 38 . 6 1 1 A 5 5 VAL C C 5 176.344 176.838 -0.494 1
1 39 . 6 1 1 A 5 5 VAL CA C 5 62.506 62.884 -0.378 1
1 40 . 6 1 1 A 5 5 VAL CB C 5 32.588 30.417 2.171 1
1 43 . 6 1 1 A 5 5 VAL N N 5 118.872 125.994 -7.122 1
1 44 . 6 1 1 A 6 6 ARG H H 6 8.146 8.125 0.021 1
1 45 . 6 1 1 A 6 6 ARG HA H 6 4.195 4.170 0.025 1
1 50 . 6 1 1 A 6 6 ARG C C 6 176.344 176.586 -0.242 1
1 51 . 6 1 1 A 6 6 ARG CA C 6 56.173 59.065 -2.892 1
1 52 . 6 1 1 A 6 6 ARG CB C 6 30.859 30.119 0.740 1
1 54 . 6 1 1 A 6 6 ARG N N 6 124.824 125.074 -0.250 1
1 55 . 6 1 1 A 7 7 LYS H H 7 8.207 7.446 0.761 1
1 56 . 6 1 1 A 7 7 LYS C C 7 176.792 175.800 0.992 1
1 57 . 6 1 1 A 7 7 LYS N N 7 123.109 120.164 2.945 1
1 58 . 6 1 1 A 8 8 LYS H H 8 8.258 8.906 -0.648 1
1 59 . 6 1 1 A 8 8 LYS C C 8 176.903 176.874 0.029 1
1 60 . 6 1 1 A 8 8 LYS N N 8 122.855 125.999 -3.144 1
1 61 . 6 1 1 A 9 9 SER H H 9 8.197 7.990 0.207 1
1 62 . 6 1 1 A 9 9 SER HA H 9 4.243 4.698 -0.455 1
1 65 . 6 1 1 A 9 9 SER C C 9 174.667 174.000 0.667 1
1 66 . 6 1 1 A 9 9 SER CA C 9 58.831 57.432 1.399 1
1 67 . 6 1 1 A 9 9 SER CB C 9 63.763 65.643 -1.880 1
1 68 . 6 1 1 A 9 9 SER N N 9 116.772 110.861 5.911 1
1 69 . 6 1 1 A 10 10 GLU H H 10 8.280 8.521 -0.241 1
1 70 . 6 1 1 A 10 10 GLU HA H 10 4.201 4.748 -0.547 1
1 73 . 6 1 1 A 10 10 GLU C C 10 176.530 177.809 -1.279 1
1 74 . 6 1 1 A 10 10 GLU CA C 10 56.610 55.409 1.201 1
1 75 . 6 1 1 A 10 10 GLU CB C 10 30.511 29.990 0.521 1
1 76 . 6 1 1 A 10 10 GLU N N 10 123.218 119.777 3.441 1
1 77 . 6 1 1 A 11 11 VAL H H 11 8.032 7.837 0.195 1
1 78 . 6 1 1 A 11 11 VAL HA H 11 3.888 3.510 0.378 1
1 86 . 6 1 1 A 11 11 VAL C C 11 176.344 176.684 -0.340 1
1 87 . 6 1 1 A 11 11 VAL CA C 11 62.778 66.678 -3.900 1
1 88 . 6 1 1 A 11 11 VAL CB C 11 32.229 31.742 0.487 1
1 91 . 6 1 1 A 11 11 VAL N N 11 121.505 120.427 1.078 1
1 92 . 6 1 1 A 12 12 ARG H H 12 8.269 7.800 0.469 1
1 93 . 6 1 1 A 12 12 ARG HA H 12 4.195 4.429 -0.234 1
1 98 . 6 1 1 A 12 12 ARG C C 12 176.344 175.657 0.687 1
1 99 . 6 1 1 A 12 12 ARG CA C 12 56.173 56.314 -0.141 1
1 100 . 6 1 1 A 12 12 ARG CB C 12 30.859 31.521 -0.662 1
1 102 . 6 1 1 A 12 12 ARG N N 12 124.717 119.743 4.974 1
1 103 . 6 1 1 A 13 13 GLN H H 13 8.246 8.677 -0.431 1
1 104 . 6 1 1 A 13 13 GLN HA H 13 4.208 4.391 -0.183 1
1 111 . 6 1 1 A 13 13 GLN C C 13 175.971 176.327 -0.356 1
1 112 . 6 1 1 A 13 13 GLN CA C 13 55.916 55.883 0.033 1
1 113 . 6 1 1 A 13 13 GLN CB C 13 29.864 29.696 0.168 1
1 115 . 6 1 1 A 13 13 GLN N N 13 121.386 120.053 1.333 1
1 117 . 6 1 1 A 14 14 LYS H H 14 8.276 8.647 -0.371 1
1 118 . 6 1 1 A 14 14 LYS HA H 14 4.149 4.590 -0.441 1
1 127 . 6 1 1 A 14 14 LYS C C 14 175.971 176.312 -0.341 1
1 128 . 6 1 1 A 14 14 LYS CA C 14 56.518 56.699 -0.181 1
1 129 . 6 1 1 A 14 14 LYS CB C 14 33.073 34.769 -1.696 1
1 133 . 6 1 1 A 14 14 LYS N N 14 123.021 118.416 4.605 1
1 134 . 6 1 1 A 15 15 THR H H 15 7.720 7.563 0.157 1
1 135 . 6 1 1 A 15 15 THR HA H 15 4.225 4.313 -0.088 1
1 140 . 6 1 1 A 15 15 THR C C 15 173.801 173.599 0.202 1
1 141 . 6 1 1 A 15 15 THR CA C 15 62.211 61.993 0.218 1
1 142 . 6 1 1 A 15 15 THR CB C 15 70.979 69.790 1.189 1
1 144 . 6 1 1 A 15 15 THR N N 15 114.171 115.964 -1.793 1
1 145 . 6 1 1 A 16 16 VAL H H 16 9.143 8.436 0.707 1
1 146 . 6 1 1 A 16 16 VAL HA H 16 4.004 4.850 -0.846 1
1 154 . 6 1 1 A 16 16 VAL C C 16 174.853 174.800 0.053 1
1 155 . 6 1 1 A 16 16 VAL CA C 16 62.452 60.694 1.758 1
1 156 . 6 1 1 A 16 16 VAL CB C 16 33.361 35.500 -2.139 1
1 159 . 6 1 1 A 16 16 VAL N N 16 126.087 122.392 3.695 1
1 160 . 6 1 1 A 17 17 VAL H H 17 8.364 8.913 -0.549 1
1 161 . 6 1 1 A 17 17 VAL HA H 17 4.653 4.706 -0.053 1
1 169 . 6 1 1 A 17 17 VAL C C 17 176.716 173.674 3.042 1
1 170 . 6 1 1 A 17 17 VAL CA C 17 61.419 60.414 1.005 1
1 171 . 6 1 1 A 17 17 VAL CB C 17 33.022 33.615 -0.593 1
1 174 . 6 1 1 A 17 17 VAL N N 17 127.119 126.540 0.579 1
1 175 . 6 1 1 A 18 18 ARG H H 18 9.038 8.917 0.121 1
1 176 . 6 1 1 A 18 18 ARG HA H 18 4.669 5.051 -0.382 1
1 181 . 6 1 1 A 18 18 ARG C C 18 174.480 174.258 0.222 1
1 182 . 6 1 1 A 18 18 ARG CA C 18 54.148 54.196 -0.048 1
1 183 . 6 1 1 A 18 18 ARG CB C 18 33.202 34.296 -1.094 1
1 185 . 6 1 1 A 18 18 ARG N N 18 126.432 130.333 -3.901 1
1 186 . 6 1 1 A 19 19 THR H H 19 8.536 8.550 -0.014 1
1 187 . 6 1 1 A 19 19 THR HA H 19 4.727 4.986 -0.259 1
1 192 . 6 1 1 A 19 19 THR C C 19 173.644 173.751 -0.107 1
1 193 . 6 1 1 A 19 19 THR CA C 19 62.000 61.787 0.213 1
1 194 . 6 1 1 A 19 19 THR CB C 19 69.919 70.829 -0.910 1
1 196 . 6 1 1 A 19 19 THR N N 19 118.670 121.445 -2.775 1
1 197 . 6 1 1 A 20 20 LEU H H 20 8.972 8.808 0.164 1
1 198 . 6 1 1 A 20 20 LEU HA H 20 4.430 4.912 -0.482 1
1 208 . 6 1 1 A 20 20 LEU C C 20 174.294 175.309 -1.015 1
1 209 . 6 1 1 A 20 20 LEU CA C 20 52.892 53.339 -0.447 1
1 210 . 6 1 1 A 20 20 LEU CB C 20 45.825 45.745 0.080 1
1 214 . 6 1 1 A 20 20 LEU N N 20 128.320 125.205 3.115 1
1 215 . 6 1 1 A 21 21 ARG H H 21 7.938 8.295 -0.357 1
1 216 . 6 1 1 A 21 21 ARG HA H 21 4.945 4.853 0.092 1
1 223 . 6 1 1 A 21 21 ARG C C 21 175.333 175.366 -0.033 1
1 224 . 6 1 1 A 21 21 ARG CA C 21 54.721 54.922 -0.201 1
1 225 . 6 1 1 A 21 21 ARG CB C 21 32.512 32.992 -0.480 1
1 228 . 6 1 1 A 21 21 ARG N N 21 119.462 122.307 -2.845 1
1 229 . 6 1 1 A 22 22 PHE H H 22 9.021 9.013 0.008 1
1 230 . 6 1 1 A 22 22 PHE HA H 22 4.777 5.022 -0.245 1
1 238 . 6 1 1 A 22 22 PHE C C 22 175.039 175.025 0.014 1
1 239 . 6 1 1 A 22 22 PHE CA C 22 56.549 57.106 -0.557 1
1 240 . 6 1 1 A 22 22 PHE CB C 22 43.356 43.083 0.273 1
1 246 . 6 1 1 A 22 22 PHE N N 22 120.286 120.522 -0.236 1
1 247 . 6 1 1 A 23 23 SER H H 23 9.411 9.263 0.148 1
1 248 . 6 1 1 A 23 23 SER HA H 23 4.937 4.704 0.233 1
1 249 . 6 1 1 A 23 23 SER C C 23 177.544 174.536 3.008 1
1 250 . 6 1 1 A 23 23 SER CA C 23 56.727 57.358 -0.631 1
1 251 . 6 1 1 A 23 23 SER N N 23 119.420 120.677 -1.257 1
1 252 . 6 1 1 A 24 24 PRO HA H 24 4.095 4.500 -0.405 1
1 259 . 6 1 1 A 24 24 PRO C C 24 179.325 177.672 1.653 1
1 260 . 6 1 1 A 24 24 PRO CA C 24 66.570 64.190 2.380 1
1 261 . 6 1 1 A 24 24 PRO CB C 24 31.862 31.863 -0.001 1
1 264 . 6 1 1 A 25 25 VAL H H 25 7.563 7.421 0.142 1
1 265 . 6 1 1 A 25 25 VAL HA H 25 3.779 3.903 -0.124 1
1 273 . 6 1 1 A 25 25 VAL C C 25 178.846 177.302 1.544 1
1 274 . 6 1 1 A 25 25 VAL CA C 25 65.693 64.990 0.703 1
1 275 . 6 1 1 A 25 25 VAL CB C 25 32.040 31.093 0.947 1
1 278 . 6 1 1 A 25 25 VAL N N 25 116.405 116.164 0.241 1
1 279 . 6 1 1 A 26 26 GLU H H 26 7.512 7.806 -0.294 1
1 280 . 6 1 1 A 26 26 GLU HA H 26 3.838 4.259 -0.421 1
1 285 . 6 1 1 A 26 26 GLU C C 26 178.766 178.530 0.236 1
1 286 . 6 1 1 A 26 26 GLU CA C 26 58.902 58.706 0.196 1
1 287 . 6 1 1 A 26 26 GLU CB C 26 30.798 30.534 0.264 1
1 289 . 6 1 1 A 26 26 GLU N N 26 122.557 120.849 1.708 1
1 290 . 6 1 1 A 27 27 ASP H H 27 8.669 8.675 -0.006 1
1 291 . 6 1 1 A 27 27 ASP HA H 27 3.900 4.191 -0.291 1
1 294 . 6 1 1 A 27 27 ASP C C 27 177.586 178.836 -1.250 1
1 295 . 6 1 1 A 27 27 ASP CA C 27 57.954 57.528 0.426 1
1 296 . 6 1 1 A 27 27 ASP CB C 27 43.617 42.106 1.511 1
1 297 . 6 1 1 A 27 27 ASP N N 27 118.012 120.225 -2.213 1
1 298 . 6 1 1 A 28 28 GLU H H 28 7.875 8.086 -0.211 1
1 299 . 6 1 1 A 28 28 GLU HA H 28 3.738 3.989 -0.251 1
1 302 . 6 1 1 A 28 28 GLU C C 28 178.837 179.261 -0.424 1
1 303 . 6 1 1 A 28 28 GLU CA C 28 59.710 59.360 0.350 1
1 304 . 6 1 1 A 28 28 GLU CB C 28 29.550 29.392 0.158 1
1 305 . 6 1 1 A 28 28 GLU N N 28 118.040 118.537 -0.497 1
1 306 . 6 1 1 A 29 29 THR H H 29 7.662 8.031 -0.369 1
1 307 . 6 1 1 A 29 29 THR HA H 29 3.739 4.029 -0.290 1
1 312 . 6 1 1 A 29 29 THR C C 29 176.344 175.929 0.415 1
1 313 . 6 1 1 A 29 29 THR CA C 29 66.756 67.178 -0.422 1
1 314 . 6 1 1 A 29 29 THR CB C 29 68.663 68.589 0.074 1
1 316 . 6 1 1 A 29 29 THR N N 29 116.635 117.019 -0.384 1
1 317 . 6 1 1 A 30 30 ILE H H 30 7.875 8.219 -0.344 1
1 318 . 6 1 1 A 30 30 ILE HA H 30 3.159 3.414 -0.255 1
1 328 . 6 1 1 A 30 30 ILE C C 30 176.903 177.922 -1.019 1
1 329 . 6 1 1 A 30 30 ILE CA C 30 65.390 65.378 0.012 1
1 330 . 6 1 1 A 30 30 ILE CB C 30 37.356 37.620 -0.264 1
1 334 . 6 1 1 A 30 30 ILE N N 30 121.804 120.977 0.827 1
1 335 . 6 1 1 A 31 31 ARG H H 31 8.502 8.107 0.395 1
1 336 . 6 1 1 A 31 31 ARG HA H 31 3.508 3.793 -0.285 1
1 343 . 6 1 1 A 31 31 ARG C C 31 179.262 178.780 0.482 1
1 344 . 6 1 1 A 31 31 ARG CA C 31 60.462 59.798 0.664 1
1 345 . 6 1 1 A 31 31 ARG CB C 31 30.075 29.866 0.209 1
1 348 . 6 1 1 A 31 31 ARG N N 31 119.175 120.096 -0.921 1
1 349 . 6 1 1 A 32 32 LYS H H 32 7.497 7.909 -0.412 1
1 350 . 6 1 1 A 32 32 LYS HA H 32 3.884 4.027 -0.143 1
1 357 . 6 1 1 A 32 32 LYS C C 32 178.207 179.367 -1.160 1
1 358 . 6 1 1 A 32 32 LYS CA C 32 59.176 59.552 -0.376 1
1 359 . 6 1 1 A 32 32 LYS CB C 32 32.020 32.030 -0.010 1
1 362 . 6 1 1 A 32 32 LYS N N 32 119.486 117.898 1.588 1
1 363 . 6 1 1 A 33 33 LYS H H 33 7.540 8.216 -0.676 1
1 366 . 6 1 1 A 33 33 LYS C C 33 179.884 178.886 0.998 1
1 367 . 6 1 1 A 33 33 LYS CB C 33 32.095 32.285 -0.190 1
1 368 . 6 1 1 A 33 33 LYS N N 33 119.050 119.359 -0.309 1
1 369 . 6 1 1 A 34 34 ALA H H 34 8.208 8.077 0.131 1
1 370 . 6 1 1 A 34 34 ALA HA H 34 3.448 3.908 -0.460 1
1 374 . 6 1 1 A 34 34 ALA C C 34 179.325 178.978 0.347 1
1 375 . 6 1 1 A 34 34 ALA CA C 34 55.826 54.884 0.942 1
1 376 . 6 1 1 A 34 34 ALA CB C 34 17.665 18.232 -0.567 1
1 377 . 6 1 1 A 34 34 ALA N N 34 122.909 121.638 1.271 1
1 378 . 6 1 1 A 35 35 GLU H H 35 7.997 8.251 -0.254 1
1 379 . 6 1 1 A 35 35 GLU HA H 35 3.877 4.045 -0.168 1
1 382 . 6 1 1 A 35 35 GLU C C 35 181.002 178.250 2.752 1
1 383 . 6 1 1 A 35 35 GLU CA C 35 59.737 59.124 0.613 1
1 384 . 6 1 1 A 35 35 GLU CB C 35 29.381 29.250 0.131 1
1 385 . 6 1 1 A 35 35 GLU N N 35 119.482 118.562 0.920 1
1 386 . 6 1 1 A 36 36 ASP H H 36 8.405 8.220 0.185 1
1 387 . 6 1 1 A 36 36 ASP HA H 36 4.279 4.382 -0.103 1
1 390 . 6 1 1 A 36 36 ASP C C 36 177.834 178.103 -0.269 1
1 391 . 6 1 1 A 36 36 ASP CA C 36 57.178 57.488 -0.310 1
1 392 . 6 1 1 A 36 36 ASP CB C 36 40.502 40.903 -0.401 1
1 393 . 6 1 1 A 36 36 ASP N N 36 120.553 120.520 0.033 1
1 394 . 6 1 1 A 37 37 SER H H 37 7.481 8.036 -0.555 1
1 395 . 6 1 1 A 37 37 SER HA H 37 4.450 4.501 -0.051 1
1 398 . 6 1 1 A 37 37 SER C C 37 174.294 174.811 -0.517 1
1 399 . 6 1 1 A 37 37 SER CA C 37 59.149 58.446 0.703 1
1 400 . 6 1 1 A 37 37 SER CB C 37 64.866 63.694 1.172 1
1 401 . 6 1 1 A 37 37 SER N N 37 112.666 112.897 -0.231 1
1 402 . 6 1 1 A 38 38 GLY H H 38 7.871 8.472 -0.601 1
1 403 . 6 1 1 A 38 38 GLY HA2 H 38 3.895 3.957 -0.062 1
1 404 . 6 1 1 A 38 38 GLY HA3 H 38 3.772 3.965 -0.193 1
1 405 . 6 1 1 A 38 38 GLY C C 38 174.108 174.226 -0.118 1
1 406 . 6 1 1 A 38 38 GLY CA C 38 46.433 46.236 0.197 1
1 407 . 6 1 1 A 38 38 GLY N N 38 110.893 109.777 1.116 1
1 408 . 6 1 1 A 39 39 LEU H H 39 7.850 7.769 0.081 1
1 409 . 6 1 1 A 39 39 LEU HA H 39 4.782 4.531 0.251 1
1 419 . 6 1 1 A 39 39 LEU C C 39 177.538 175.890 1.648 1
1 420 . 6 1 1 A 39 39 LEU CA C 39 53.141 54.264 -1.123 1
1 421 . 6 1 1 A 39 39 LEU CB C 39 47.097 43.857 3.240 1
1 425 . 6 1 1 A 39 39 LEU N N 39 119.947 121.370 -1.423 1
1 426 . 6 1 1 A 40 40 THR H H 40 7.654 8.718 -1.064 1
1 427 . 6 1 1 A 40 40 THR HA H 40 4.234 4.304 -0.070 1
1 432 . 6 1 1 A 40 40 THR C C 40 175.658 175.765 -0.107 1
1 433 . 6 1 1 A 40 40 THR CA C 40 61.188 62.451 -1.263 1
1 434 . 6 1 1 A 40 40 THR CB C 40 70.501 69.278 1.223 1
1 436 . 6 1 1 A 40 40 THR N N 40 109.345 119.987 -10.642 1
1 437 . 6 1 1 A 41 41 VAL H H 41 8.721 8.721 0.000 1
1 438 . 6 1 1 A 41 41 VAL HA H 41 3.239 3.640 -0.401 1
1 446 . 6 1 1 A 41 41 VAL C C 41 178.021 177.420 0.601 1
1 447 . 6 1 1 A 41 41 VAL CA C 41 68.189 66.677 1.512 1
1 448 . 6 1 1 A 41 41 VAL CB C 41 31.300 31.601 -0.301 1
1 451 . 6 1 1 A 41 41 VAL N N 41 121.470 127.930 -6.460 1
1 452 . 6 1 1 A 42 42 SER H H 42 8.424 8.290 0.134 1
1 453 . 6 1 1 A 42 42 SER HA H 42 3.742 4.188 -0.446 1
1 454 . 6 1 1 A 42 42 SER C C 42 175.785 177.080 -1.295 1
1 455 . 6 1 1 A 42 42 SER CA C 42 62.514 61.336 1.178 1
1 456 . 6 1 1 A 42 42 SER N N 42 113.251 114.029 -0.778 1
1 457 . 6 1 1 A 43 43 ALA H H 43 7.494 7.771 -0.277 1
1 458 . 6 1 1 A 43 43 ALA HA H 43 3.916 4.080 -0.164 1
1 462 . 6 1 1 A 43 43 ALA C C 43 179.884 179.007 0.877 1
1 463 . 6 1 1 A 43 43 ALA CA C 43 55.172 54.907 0.265 1
1 464 . 6 1 1 A 43 43 ALA CB C 43 19.490 18.433 1.057 1
1 465 . 6 1 1 A 43 43 ALA N N 43 123.328 123.015 0.313 1
1 466 . 6 1 1 A 44 44 TYR H H 44 8.662 8.832 -0.170 1
1 467 . 6 1 1 A 44 44 TYR HA H 44 3.742 4.141 -0.399 1
1 474 . 6 1 1 A 44 44 TYR C C 44 177.593 177.366 0.227 1
1 475 . 6 1 1 A 44 44 TYR CA C 44 62.514 61.410 1.104 1
1 476 . 6 1 1 A 44 44 TYR CB C 44 39.211 38.642 0.569 1
1 481 . 6 1 1 A 44 44 TYR N N 44 119.611 119.686 -0.075 1
1 482 . 6 1 1 A 45 45 ILE H H 45 8.445 8.665 -0.220 1
1 483 . 6 1 1 A 45 45 ILE HA H 45 3.138 3.723 -0.585 1
1 493 . 6 1 1 A 45 45 ILE C C 45 177.462 177.934 -0.472 1
1 494 . 6 1 1 A 45 45 ILE CA C 45 66.393 64.911 1.482 1
1 495 . 6 1 1 A 45 45 ILE CB C 45 37.810 37.877 -0.067 1
1 499 . 6 1 1 A 45 45 ILE N N 45 118.859 121.204 -2.345 1
1 500 . 6 1 1 A 46 46 ARG H H 46 8.026 8.138 -0.112 1
1 501 . 6 1 1 A 46 46 ARG HA H 46 3.635 4.034 -0.399 1
1 506 . 6 1 1 A 46 46 ARG C C 46 177.462 178.387 -0.925 1
1 507 . 6 1 1 A 46 46 ARG CA C 46 60.816 58.861 1.955 1
1 508 . 6 1 1 A 46 46 ARG CB C 46 30.287 30.261 0.026 1
1 510 . 6 1 1 A 46 46 ARG N N 46 117.983 120.728 -2.745 1
1 511 . 6 1 1 A 47 47 ASN H H 47 8.026 8.594 -0.568 1
1 512 . 6 1 1 A 47 47 ASN HA H 47 4.078 4.365 -0.287 1
1 517 . 6 1 1 A 47 47 ASN C C 47 177.648 177.246 0.402 1
1 518 . 6 1 1 A 47 47 ASN CA C 47 56.329 56.746 -0.417 1
1 519 . 6 1 1 A 47 47 ASN CB C 47 38.112 39.397 -1.285 1
1 520 . 6 1 1 A 47 47 ASN N N 47 115.323 118.048 -2.725 1
1 522 . 6 1 1 A 48 48 ALA H H 48 7.809 8.035 -0.226 1
1 523 . 6 1 1 A 48 48 ALA HA H 48 3.792 3.872 -0.080 1
1 527 . 6 1 1 A 48 48 ALA C C 48 179.325 180.212 -0.887 1
1 528 . 6 1 1 A 48 48 ALA CA C 48 54.393 54.730 -0.337 1
1 529 . 6 1 1 A 48 48 ALA CB C 48 16.905 17.961 -1.056 1
1 530 . 6 1 1 A 48 48 ALA N N 48 121.450 121.380 0.070 1
1 531 . 6 1 1 A 49 49 ALA H H 49 7.863 7.914 -0.051 1
1 532 . 6 1 1 A 49 49 ALA HA H 49 3.821 4.068 -0.247 1
1 536 . 6 1 1 A 49 49 ALA C C 49 178.503 179.180 -0.677 1
1 537 . 6 1 1 A 49 49 ALA CA C 49 54.016 54.739 -0.723 1
1 538 . 6 1 1 A 49 49 ALA CB C 49 19.693 18.324 1.369 1
1 539 . 6 1 1 A 49 49 ALA N N 49 117.188 120.444 -3.256 1
1 540 . 6 1 1 A 50 50 LEU H H 50 7.610 7.288 0.322 1
1 541 . 6 1 1 A 50 50 LEU HA H 50 4.062 4.212 -0.150 1
1 551 . 6 1 1 A 50 50 LEU C C 50 176.716 177.754 -1.038 1
1 552 . 6 1 1 A 50 50 LEU CA C 50 55.766 56.424 -0.658 1
1 553 . 6 1 1 A 50 50 LEU CB C 50 43.320 42.821 0.499 1
1 557 . 6 1 1 A 50 50 LEU N N 50 116.113 117.293 -1.180 1
1 6 . 7 1 1 A 2 2 ASP HA H 2 4.569 4.742 -0.173 1
1 9 . 7 1 1 A 2 2 ASP C C 2 176.530 175.849 0.681 1
1 10 . 7 1 1 A 2 2 ASP CA C 2 54.589 53.895 0.694 1
1 11 . 7 1 1 A 2 2 ASP CB C 2 41.462 42.018 -0.556 1
1 12 . 7 1 1 A 3 3 SER H H 3 8.267 7.663 0.604 1
1 13 . 7 1 1 A 3 3 SER HA H 3 4.276 4.782 -0.506 1
1 16 . 7 1 1 A 3 3 SER C C 3 174.667 172.731 1.936 1
1 17 . 7 1 1 A 3 3 SER CA C 3 58.605 56.444 2.161 1
1 18 . 7 1 1 A 3 3 SER CB C 3 63.763 65.707 -1.944 1
1 19 . 7 1 1 A 3 3 SER N N 3 116.529 113.598 2.931 1
1 20 . 7 1 1 A 4 4 ALA H H 4 8.196 8.665 -0.469 1
1 21 . 7 1 1 A 4 4 ALA HA H 4 4.179 4.392 -0.213 1
1 25 . 7 1 1 A 4 4 ALA C C 4 178.021 178.000 0.021 1
1 26 . 7 1 1 A 4 4 ALA CA C 4 52.977 52.342 0.635 1
1 27 . 7 1 1 A 4 4 ALA CB C 4 19.202 19.234 -0.032 1
1 28 . 7 1 1 A 4 4 ALA N N 4 125.751 127.599 -1.848 1
1 29 . 7 1 1 A 5 5 VAL H H 5 7.811 8.393 -0.582 1
1 30 . 7 1 1 A 5 5 VAL HA H 5 3.912 4.028 -0.116 1
1 38 . 7 1 1 A 5 5 VAL C C 5 176.344 175.656 0.688 1
1 39 . 7 1 1 A 5 5 VAL CA C 5 62.506 64.543 -2.037 1
1 40 . 7 1 1 A 5 5 VAL CB C 5 32.588 32.290 0.298 1
1 43 . 7 1 1 A 5 5 VAL N N 5 118.872 121.363 -2.491 1
1 44 . 7 1 1 A 6 6 ARG H H 6 8.146 7.857 0.289 1
1 45 . 7 1 1 A 6 6 ARG HA H 6 4.195 4.880 -0.685 1
1 50 . 7 1 1 A 6 6 ARG C C 6 176.344 175.805 0.539 1
1 51 . 7 1 1 A 6 6 ARG CA C 6 56.173 55.067 1.106 1
1 52 . 7 1 1 A 6 6 ARG CB C 6 30.859 32.769 -1.910 1
1 54 . 7 1 1 A 6 6 ARG N N 6 124.824 120.711 4.113 1
1 55 . 7 1 1 A 7 7 LYS H H 7 8.207 8.647 -0.440 1
1 56 . 7 1 1 A 7 7 LYS C C 7 176.792 176.185 0.607 1
1 57 . 7 1 1 A 7 7 LYS N N 7 123.109 118.272 4.837 1
1 58 . 7 1 1 A 8 8 LYS H H 8 8.258 8.039 0.219 1
1 59 . 7 1 1 A 8 8 LYS C C 8 176.903 176.136 0.767 1
1 60 . 7 1 1 A 8 8 LYS N N 8 122.855 120.382 2.473 1
1 61 . 7 1 1 A 9 9 SER H H 9 8.197 8.502 -0.305 1
1 62 . 7 1 1 A 9 9 SER HA H 9 4.243 5.045 -0.802 1
1 65 . 7 1 1 A 9 9 SER C C 9 174.667 172.906 1.761 1
1 66 . 7 1 1 A 9 9 SER CA C 9 58.831 57.317 1.514 1
1 67 . 7 1 1 A 9 9 SER CB C 9 63.763 66.990 -3.227 1
1 68 . 7 1 1 A 9 9 SER N N 9 116.772 118.945 -2.173 1
1 69 . 7 1 1 A 10 10 GLU H H 10 8.280 8.674 -0.394 1
1 70 . 7 1 1 A 10 10 GLU HA H 10 4.201 4.941 -0.740 1
1 73 . 7 1 1 A 10 10 GLU C C 10 176.530 175.474 1.056 1
1 74 . 7 1 1 A 10 10 GLU CA C 10 56.610 55.438 1.172 1
1 75 . 7 1 1 A 10 10 GLU CB C 10 30.511 31.952 -1.441 1
1 76 . 7 1 1 A 10 10 GLU N N 10 123.218 119.761 3.457 1
1 77 . 7 1 1 A 11 11 VAL H H 11 8.032 8.745 -0.713 1
1 78 . 7 1 1 A 11 11 VAL HA H 11 3.888 4.286 -0.398 1
1 86 . 7 1 1 A 11 11 VAL C C 11 176.344 174.544 1.800 1
1 87 . 7 1 1 A 11 11 VAL CA C 11 62.778 62.525 0.253 1
1 88 . 7 1 1 A 11 11 VAL CB C 11 32.229 34.793 -2.564 1
1 91 . 7 1 1 A 11 11 VAL N N 11 121.505 120.206 1.299 1
1 92 . 7 1 1 A 12 12 ARG H H 12 8.269 7.494 0.775 1
1 93 . 7 1 1 A 12 12 ARG HA H 12 4.195 4.731 -0.536 1
1 98 . 7 1 1 A 12 12 ARG C C 12 176.344 175.354 0.990 1
1 99 . 7 1 1 A 12 12 ARG CA C 12 56.173 54.417 1.756 1
1 100 . 7 1 1 A 12 12 ARG CB C 12 30.859 33.314 -2.455 1
1 102 . 7 1 1 A 12 12 ARG N N 12 124.717 119.968 4.749 1
1 103 . 7 1 1 A 13 13 GLN H H 13 8.246 8.629 -0.383 1
1 104 . 7 1 1 A 13 13 GLN HA H 13 4.208 4.304 -0.096 1
1 111 . 7 1 1 A 13 13 GLN C C 13 175.971 177.137 -1.166 1
1 112 . 7 1 1 A 13 13 GLN CA C 13 55.916 55.993 -0.077 1
1 113 . 7 1 1 A 13 13 GLN CB C 13 29.864 28.483 1.381 1
1 115 . 7 1 1 A 13 13 GLN N N 13 121.386 123.696 -2.310 1
1 117 . 7 1 1 A 14 14 LYS H H 14 8.276 8.509 -0.233 1
1 118 . 7 1 1 A 14 14 LYS HA H 14 4.149 4.112 0.037 1
1 127 . 7 1 1 A 14 14 LYS C C 14 175.971 176.632 -0.661 1
1 128 . 7 1 1 A 14 14 LYS CA C 14 56.518 58.935 -2.417 1
1 129 . 7 1 1 A 14 14 LYS CB C 14 33.073 32.158 0.915 1
1 133 . 7 1 1 A 14 14 LYS N N 14 123.021 123.473 -0.452 1
1 134 . 7 1 1 A 15 15 THR H H 15 7.720 7.555 0.165 1
1 135 . 7 1 1 A 15 15 THR HA H 15 4.225 4.299 -0.074 1
1 140 . 7 1 1 A 15 15 THR C C 15 173.801 174.151 -0.350 1
1 141 . 7 1 1 A 15 15 THR CA C 15 62.211 62.965 -0.754 1
1 142 . 7 1 1 A 15 15 THR CB C 15 70.979 69.340 1.639 1
1 144 . 7 1 1 A 15 15 THR N N 15 114.171 116.155 -1.984 1
1 145 . 7 1 1 A 16 16 VAL H H 16 9.143 8.310 0.833 1
1 146 . 7 1 1 A 16 16 VAL HA H 16 4.004 4.577 -0.573 1
1 154 . 7 1 1 A 16 16 VAL C C 16 174.853 174.170 0.683 1
1 155 . 7 1 1 A 16 16 VAL CA C 16 62.452 61.347 1.105 1
1 156 . 7 1 1 A 16 16 VAL CB C 16 33.361 33.417 -0.056 1
1 159 . 7 1 1 A 16 16 VAL N N 16 126.087 125.789 0.298 1
1 160 . 7 1 1 A 17 17 VAL H H 17 8.364 8.970 -0.606 1
1 161 . 7 1 1 A 17 17 VAL HA H 17 4.653 4.793 -0.140 1
1 169 . 7 1 1 A 17 17 VAL C C 17 176.716 174.443 2.273 1
1 170 . 7 1 1 A 17 17 VAL CA C 17 61.419 60.082 1.337 1
1 171 . 7 1 1 A 17 17 VAL CB C 17 33.022 33.731 -0.709 1
1 174 . 7 1 1 A 17 17 VAL N N 17 127.119 128.912 -1.793 1
1 175 . 7 1 1 A 18 18 ARG H H 18 9.038 8.664 0.374 1
1 176 . 7 1 1 A 18 18 ARG HA H 18 4.669 4.664 0.005 1
1 181 . 7 1 1 A 18 18 ARG C C 18 174.480 174.229 0.251 1
1 182 . 7 1 1 A 18 18 ARG CA C 18 54.148 55.073 -0.925 1
1 183 . 7 1 1 A 18 18 ARG CB C 18 33.202 34.521 -1.319 1
1 185 . 7 1 1 A 18 18 ARG N N 18 126.432 128.136 -1.704 1
1 186 . 7 1 1 A 19 19 THR H H 19 8.536 8.711 -0.175 1
1 187 . 7 1 1 A 19 19 THR HA H 19 4.727 4.618 0.109 1
1 192 . 7 1 1 A 19 19 THR C C 19 173.644 173.059 0.585 1
1 193 . 7 1 1 A 19 19 THR CA C 19 62.000 62.444 -0.444 1
1 194 . 7 1 1 A 19 19 THR CB C 19 69.919 68.243 1.676 1
1 196 . 7 1 1 A 19 19 THR N N 19 118.670 120.161 -1.491 1
1 197 . 7 1 1 A 20 20 LEU H H 20 8.972 9.027 -0.055 1
1 198 . 7 1 1 A 20 20 LEU HA H 20 4.430 4.792 -0.362 1
1 208 . 7 1 1 A 20 20 LEU C C 20 174.294 175.140 -0.846 1
1 209 . 7 1 1 A 20 20 LEU CA C 20 52.892 53.661 -0.769 1
1 210 . 7 1 1 A 20 20 LEU CB C 20 45.825 43.490 2.335 1
1 214 . 7 1 1 A 20 20 LEU N N 20 128.320 129.523 -1.203 1
1 215 . 7 1 1 A 21 21 ARG H H 21 7.938 8.599 -0.661 1
1 216 . 7 1 1 A 21 21 ARG HA H 21 4.945 4.731 0.214 1
1 223 . 7 1 1 A 21 21 ARG C C 21 175.333 175.318 0.015 1
1 224 . 7 1 1 A 21 21 ARG CA C 21 54.721 55.535 -0.814 1
1 225 . 7 1 1 A 21 21 ARG CB C 21 32.512 32.396 0.116 1
1 228 . 7 1 1 A 21 21 ARG N N 21 119.462 126.280 -6.818 1
1 229 . 7 1 1 A 22 22 PHE H H 22 9.021 8.797 0.224 1
1 230 . 7 1 1 A 22 22 PHE HA H 22 4.777 5.059 -0.282 1
1 238 . 7 1 1 A 22 22 PHE C C 22 175.039 174.984 0.055 1
1 239 . 7 1 1 A 22 22 PHE CA C 22 56.549 56.973 -0.424 1
1 240 . 7 1 1 A 22 22 PHE CB C 22 43.356 43.379 -0.023 1
1 246 . 7 1 1 A 22 22 PHE N N 22 120.286 119.405 0.881 1
1 247 . 7 1 1 A 23 23 SER H H 23 9.411 8.977 0.434 1
1 248 . 7 1 1 A 23 23 SER HA H 23 4.937 4.755 0.182 1
1 249 . 7 1 1 A 23 23 SER C C 23 177.544 174.630 2.914 1
1 250 . 7 1 1 A 23 23 SER CA C 23 56.727 57.130 -0.403 1
1 251 . 7 1 1 A 23 23 SER N N 23 119.420 118.452 0.968 1
1 252 . 7 1 1 A 24 24 PRO HA H 24 4.095 4.376 -0.281 1
1 259 . 7 1 1 A 24 24 PRO C C 24 179.325 178.900 0.425 1
1 260 . 7 1 1 A 24 24 PRO CA C 24 66.570 65.243 1.327 1
1 261 . 7 1 1 A 24 24 PRO CB C 24 31.862 31.915 -0.053 1
1 264 . 7 1 1 A 25 25 VAL H H 25 7.563 7.422 0.141 1
1 265 . 7 1 1 A 25 25 VAL HA H 25 3.779 3.781 -0.002 1
1 273 . 7 1 1 A 25 25 VAL C C 25 178.846 177.950 0.896 1
1 274 . 7 1 1 A 25 25 VAL CA C 25 65.693 65.661 0.032 1
1 275 . 7 1 1 A 25 25 VAL CB C 25 32.040 31.761 0.279 1
1 278 . 7 1 1 A 25 25 VAL N N 25 116.405 116.531 -0.126 1
1 279 . 7 1 1 A 26 26 GLU H H 26 7.512 8.560 -1.048 1
1 280 . 7 1 1 A 26 26 GLU HA H 26 3.838 3.958 -0.120 1
1 285 . 7 1 1 A 26 26 GLU C C 26 178.766 178.624 0.142 1
1 286 . 7 1 1 A 26 26 GLU CA C 26 58.902 60.047 -1.145 1
1 287 . 7 1 1 A 26 26 GLU CB C 26 30.798 29.365 1.433 1
1 289 . 7 1 1 A 26 26 GLU N N 26 122.557 118.723 3.834 1
1 290 . 7 1 1 A 27 27 ASP H H 27 8.669 8.664 0.005 1
1 291 . 7 1 1 A 27 27 ASP HA H 27 3.900 4.205 -0.305 1
1 294 . 7 1 1 A 27 27 ASP C C 27 177.586 178.388 -0.802 1
1 295 . 7 1 1 A 27 27 ASP CA C 27 57.954 57.474 0.480 1
1 296 . 7 1 1 A 27 27 ASP CB C 27 43.617 42.002 1.615 1
1 297 . 7 1 1 A 27 27 ASP N N 27 118.012 119.870 -1.858 1
1 298 . 7 1 1 A 28 28 GLU H H 28 7.875 8.378 -0.503 1
1 299 . 7 1 1 A 28 28 GLU HA H 28 3.738 3.991 -0.253 1
1 302 . 7 1 1 A 28 28 GLU C C 28 178.837 179.242 -0.405 1
1 303 . 7 1 1 A 28 28 GLU CA C 28 59.710 59.375 0.335 1
1 304 . 7 1 1 A 28 28 GLU CB C 28 29.550 29.454 0.096 1
1 305 . 7 1 1 A 28 28 GLU N N 28 118.040 118.932 -0.892 1
1 306 . 7 1 1 A 29 29 THR H H 29 7.662 7.950 -0.288 1
1 307 . 7 1 1 A 29 29 THR HA H 29 3.739 3.941 -0.202 1
1 312 . 7 1 1 A 29 29 THR C C 29 176.344 176.195 0.149 1
1 313 . 7 1 1 A 29 29 THR CA C 29 66.756 67.117 -0.361 1
1 314 . 7 1 1 A 29 29 THR CB C 29 68.663 68.714 -0.051 1
1 316 . 7 1 1 A 29 29 THR N N 29 116.635 116.779 -0.144 1
1 317 . 7 1 1 A 30 30 ILE H H 30 7.875 8.227 -0.352 1
1 318 . 7 1 1 A 30 30 ILE HA H 30 3.159 3.529 -0.370 1
1 328 . 7 1 1 A 30 30 ILE C C 30 176.903 177.989 -1.086 1
1 329 . 7 1 1 A 30 30 ILE CA C 30 65.390 65.179 0.211 1
1 330 . 7 1 1 A 30 30 ILE CB C 30 37.356 37.722 -0.366 1
1 334 . 7 1 1 A 30 30 ILE N N 30 121.804 120.558 1.246 1
1 335 . 7 1 1 A 31 31 ARG H H 31 8.502 8.359 0.143 1
1 336 . 7 1 1 A 31 31 ARG HA H 31 3.508 3.839 -0.331 1
1 343 . 7 1 1 A 31 31 ARG C C 31 179.262 178.802 0.460 1
1 344 . 7 1 1 A 31 31 ARG CA C 31 60.462 59.855 0.607 1
1 345 . 7 1 1 A 31 31 ARG CB C 31 30.075 29.906 0.169 1
1 348 . 7 1 1 A 31 31 ARG N N 31 119.175 120.353 -1.178 1
1 349 . 7 1 1 A 32 32 LYS H H 32 7.497 7.855 -0.358 1
1 350 . 7 1 1 A 32 32 LYS HA H 32 3.884 4.009 -0.125 1
1 357 . 7 1 1 A 32 32 LYS C C 32 178.207 179.346 -1.139 1
1 358 . 7 1 1 A 32 32 LYS CA C 32 59.176 59.464 -0.288 1
1 359 . 7 1 1 A 32 32 LYS CB C 32 32.020 32.149 -0.129 1
1 362 . 7 1 1 A 32 32 LYS N N 32 119.486 117.858 1.628 1
1 363 . 7 1 1 A 33 33 LYS H H 33 7.540 8.149 -0.609 1
1 366 . 7 1 1 A 33 33 LYS C C 33 179.884 178.707 1.177 1
1 367 . 7 1 1 A 33 33 LYS CB C 33 32.095 31.903 0.192 1
1 368 . 7 1 1 A 33 33 LYS N N 33 119.050 119.250 -0.200 1
1 369 . 7 1 1 A 34 34 ALA H H 34 8.208 8.156 0.052 1
1 370 . 7 1 1 A 34 34 ALA HA H 34 3.448 3.808 -0.360 1
1 374 . 7 1 1 A 34 34 ALA C C 34 179.325 178.887 0.438 1
1 375 . 7 1 1 A 34 34 ALA CA C 34 55.826 55.135 0.691 1
1 376 . 7 1 1 A 34 34 ALA CB C 34 17.665 18.258 -0.593 1
1 377 . 7 1 1 A 34 34 ALA N N 34 122.909 121.624 1.285 1
1 378 . 7 1 1 A 35 35 GLU H H 35 7.997 8.163 -0.166 1
1 379 . 7 1 1 A 35 35 GLU HA H 35 3.877 4.055 -0.178 1
1 382 . 7 1 1 A 35 35 GLU C C 35 181.002 178.380 2.622 1
1 383 . 7 1 1 A 35 35 GLU CA C 35 59.737 59.009 0.728 1
1 384 . 7 1 1 A 35 35 GLU CB C 35 29.381 29.166 0.215 1
1 385 . 7 1 1 A 35 35 GLU N N 35 119.482 118.587 0.895 1
1 386 . 7 1 1 A 36 36 ASP H H 36 8.405 8.213 0.192 1
1 387 . 7 1 1 A 36 36 ASP HA H 36 4.279 4.375 -0.096 1
1 390 . 7 1 1 A 36 36 ASP C C 36 177.834 177.954 -0.120 1
1 391 . 7 1 1 A 36 36 ASP CA C 36 57.178 56.783 0.395 1
1 392 . 7 1 1 A 36 36 ASP CB C 36 40.502 40.723 -0.221 1
1 393 . 7 1 1 A 36 36 ASP N N 36 120.553 120.570 -0.017 1
1 394 . 7 1 1 A 37 37 SER H H 37 7.481 7.655 -0.174 1
1 395 . 7 1 1 A 37 37 SER HA H 37 4.450 4.499 -0.049 1
1 398 . 7 1 1 A 37 37 SER C C 37 174.294 174.766 -0.472 1
1 399 . 7 1 1 A 37 37 SER CA C 37 59.149 58.322 0.827 1
1 400 . 7 1 1 A 37 37 SER CB C 37 64.866 63.576 1.290 1
1 401 . 7 1 1 A 37 37 SER N N 37 112.666 112.822 -0.156 1
1 402 . 7 1 1 A 38 38 GLY H H 38 7.871 7.700 0.171 1
1 403 . 7 1 1 A 38 38 GLY HA2 H 38 3.895 3.943 -0.048 1
1 404 . 7 1 1 A 38 38 GLY HA3 H 38 3.772 3.953 -0.181 1
1 405 . 7 1 1 A 38 38 GLY C C 38 174.108 173.754 0.354 1
1 406 . 7 1 1 A 38 38 GLY CA C 38 46.433 45.334 1.099 1
1 407 . 7 1 1 A 38 38 GLY N N 38 110.893 109.675 1.218 1
1 408 . 7 1 1 A 39 39 LEU H H 39 7.850 7.498 0.352 1
1 409 . 7 1 1 A 39 39 LEU HA H 39 4.782 4.673 0.109 1
1 419 . 7 1 1 A 39 39 LEU C C 39 177.538 175.853 1.685 1
1 420 . 7 1 1 A 39 39 LEU CA C 39 53.141 54.173 -1.032 1
1 421 . 7 1 1 A 39 39 LEU CB C 39 47.097 42.711 4.386 1
1 425 . 7 1 1 A 39 39 LEU N N 39 119.947 122.303 -2.356 1
1 426 . 7 1 1 A 40 40 THR H H 40 7.654 8.448 -0.794 1
1 427 . 7 1 1 A 40 40 THR HA H 40 4.234 4.685 -0.451 1
1 432 . 7 1 1 A 40 40 THR C C 40 175.658 175.627 0.031 1
1 433 . 7 1 1 A 40 40 THR CA C 40 61.188 60.142 1.046 1
1 434 . 7 1 1 A 40 40 THR CB C 40 70.501 70.580 -0.079 1
1 436 . 7 1 1 A 40 40 THR N N 40 109.345 114.882 -5.537 1
1 437 . 7 1 1 A 41 41 VAL H H 41 8.721 8.895 -0.174 1
1 438 . 7 1 1 A 41 41 VAL HA H 41 3.239 3.723 -0.484 1
1 446 . 7 1 1 A 41 41 VAL C C 41 178.021 177.588 0.433 1
1 447 . 7 1 1 A 41 41 VAL CA C 41 68.189 66.587 1.602 1
1 448 . 7 1 1 A 41 41 VAL CB C 41 31.300 31.492 -0.192 1
1 451 . 7 1 1 A 41 41 VAL N N 41 121.470 128.047 -6.577 1
1 452 . 7 1 1 A 42 42 SER H H 42 8.424 7.819 0.605 1
1 453 . 7 1 1 A 42 42 SER HA H 42 3.742 4.214 -0.472 1
1 454 . 7 1 1 A 42 42 SER C C 42 175.785 177.287 -1.502 1
1 455 . 7 1 1 A 42 42 SER CA C 42 62.514 61.346 1.168 1
1 456 . 7 1 1 A 42 42 SER N N 42 113.251 114.244 -0.993 1
1 457 . 7 1 1 A 43 43 ALA H H 43 7.494 7.683 -0.189 1
1 458 . 7 1 1 A 43 43 ALA HA H 43 3.916 4.101 -0.185 1
1 462 . 7 1 1 A 43 43 ALA C C 43 179.884 179.159 0.725 1
1 463 . 7 1 1 A 43 43 ALA CA C 43 55.172 54.899 0.273 1
1 464 . 7 1 1 A 43 43 ALA CB C 43 19.490 18.262 1.228 1
1 465 . 7 1 1 A 43 43 ALA N N 43 123.328 123.947 -0.619 1
1 466 . 7 1 1 A 44 44 TYR H H 44 8.662 8.614 0.048 1
1 467 . 7 1 1 A 44 44 TYR HA H 44 3.742 4.164 -0.422 1
1 474 . 7 1 1 A 44 44 TYR C C 44 177.593 177.415 0.178 1
1 475 . 7 1 1 A 44 44 TYR CA C 44 62.514 61.496 1.018 1
1 476 . 7 1 1 A 44 44 TYR CB C 44 39.211 38.675 0.536 1
1 481 . 7 1 1 A 44 44 TYR N N 44 119.611 119.583 0.028 1
1 482 . 7 1 1 A 45 45 ILE H H 45 8.445 8.810 -0.365 1
1 483 . 7 1 1 A 45 45 ILE HA H 45 3.138 3.637 -0.499 1
1 493 . 7 1 1 A 45 45 ILE C C 45 177.462 177.929 -0.467 1
1 494 . 7 1 1 A 45 45 ILE CA C 45 66.393 64.795 1.598 1
1 495 . 7 1 1 A 45 45 ILE CB C 45 37.810 37.817 -0.007 1
1 499 . 7 1 1 A 45 45 ILE N N 45 118.859 121.032 -2.173 1
1 500 . 7 1 1 A 46 46 ARG H H 46 8.026 7.988 0.038 1
1 501 . 7 1 1 A 46 46 ARG HA H 46 3.635 4.025 -0.390 1
1 506 . 7 1 1 A 46 46 ARG C C 46 177.462 178.310 -0.848 1
1 507 . 7 1 1 A 46 46 ARG CA C 46 60.816 58.894 1.922 1
1 508 . 7 1 1 A 46 46 ARG CB C 46 30.287 30.169 0.118 1
1 510 . 7 1 1 A 46 46 ARG N N 46 117.983 120.677 -2.694 1
1 511 . 7 1 1 A 47 47 ASN H H 47 8.026 8.533 -0.507 1
1 512 . 7 1 1 A 47 47 ASN HA H 47 4.078 4.345 -0.267 1
1 517 . 7 1 1 A 47 47 ASN C C 47 177.648 177.182 0.466 1
1 518 . 7 1 1 A 47 47 ASN CA C 47 56.329 56.743 -0.414 1
1 519 . 7 1 1 A 47 47 ASN CB C 47 38.112 39.401 -1.289 1
1 520 . 7 1 1 A 47 47 ASN N N 47 115.323 117.992 -2.669 1
1 522 . 7 1 1 A 48 48 ALA H H 48 7.809 8.106 -0.297 1
1 523 . 7 1 1 A 48 48 ALA HA H 48 3.792 3.859 -0.067 1
1 527 . 7 1 1 A 48 48 ALA C C 48 179.325 180.175 -0.850 1
1 528 . 7 1 1 A 48 48 ALA CA C 48 54.393 54.651 -0.258 1
1 529 . 7 1 1 A 48 48 ALA CB C 48 16.905 17.784 -0.879 1
1 530 . 7 1 1 A 48 48 ALA N N 48 121.450 121.394 0.056 1
1 531 . 7 1 1 A 49 49 ALA H H 49 7.863 7.820 0.043 1
1 532 . 7 1 1 A 49 49 ALA HA H 49 3.821 4.033 -0.212 1
1 536 . 7 1 1 A 49 49 ALA C C 49 178.503 178.638 -0.135 1
1 537 . 7 1 1 A 49 49 ALA CA C 49 54.016 54.349 -0.333 1
1 538 . 7 1 1 A 49 49 ALA CB C 49 19.693 18.171 1.522 1
1 539 . 7 1 1 A 49 49 ALA N N 49 117.188 120.090 -2.902 1
1 540 . 7 1 1 A 50 50 LEU H H 50 7.610 7.292 0.318 1
1 541 . 7 1 1 A 50 50 LEU HA H 50 4.062 4.239 -0.177 1
1 551 . 7 1 1 A 50 50 LEU C C 50 176.716 178.560 -1.844 1
1 552 . 7 1 1 A 50 50 LEU CA C 50 55.766 56.387 -0.621 1
1 553 . 7 1 1 A 50 50 LEU CB C 50 43.320 42.486 0.834 1
1 557 . 7 1 1 A 50 50 LEU N N 50 116.113 115.193 0.920 1
1 6 . 8 1 1 A 2 2 ASP HA H 2 4.569 4.513 0.056 1
1 9 . 8 1 1 A 2 2 ASP C C 2 176.530 176.584 -0.054 1
1 10 . 8 1 1 A 2 2 ASP CA C 2 54.589 56.981 -2.392 1
1 11 . 8 1 1 A 2 2 ASP CB C 2 41.462 41.658 -0.196 1
1 12 . 8 1 1 A 3 3 SER H H 3 8.267 7.856 0.411 1
1 13 . 8 1 1 A 3 3 SER HA H 3 4.276 5.124 -0.848 1
1 16 . 8 1 1 A 3 3 SER C C 3 174.667 173.603 1.064 1
1 17 . 8 1 1 A 3 3 SER CA C 3 58.605 57.986 0.619 1
1 18 . 8 1 1 A 3 3 SER CB C 3 63.763 64.454 -0.691 1
1 19 . 8 1 1 A 3 3 SER N N 3 116.529 115.635 0.894 1
1 20 . 8 1 1 A 4 4 ALA H H 4 8.196 8.504 -0.308 1
1 21 . 8 1 1 A 4 4 ALA HA H 4 4.179 4.861 -0.682 1
1 25 . 8 1 1 A 4 4 ALA C C 4 178.021 176.280 1.741 1
1 26 . 8 1 1 A 4 4 ALA CA C 4 52.977 51.014 1.963 1
1 27 . 8 1 1 A 4 4 ALA CB C 4 19.202 23.063 -3.861 1
1 28 . 8 1 1 A 4 4 ALA N N 4 125.751 126.789 -1.038 1
1 29 . 8 1 1 A 5 5 VAL H H 5 7.811 8.406 -0.595 1
1 30 . 8 1 1 A 5 5 VAL HA H 5 3.912 4.083 -0.171 1
1 38 . 8 1 1 A 5 5 VAL C C 5 176.344 175.578 0.766 1
1 39 . 8 1 1 A 5 5 VAL CA C 5 62.506 61.945 0.561 1
1 40 . 8 1 1 A 5 5 VAL CB C 5 32.588 32.533 0.055 1
1 43 . 8 1 1 A 5 5 VAL N N 5 118.872 119.455 -0.583 1
1 44 . 8 1 1 A 6 6 ARG H H 6 8.146 8.888 -0.742 1
1 45 . 8 1 1 A 6 6 ARG HA H 6 4.195 4.989 -0.794 1
1 50 . 8 1 1 A 6 6 ARG C C 6 176.344 174.947 1.397 1
1 51 . 8 1 1 A 6 6 ARG CA C 6 56.173 54.479 1.694 1
1 52 . 8 1 1 A 6 6 ARG CB C 6 30.859 33.899 -3.040 1
1 54 . 8 1 1 A 6 6 ARG N N 6 124.824 120.861 3.963 1
1 55 . 8 1 1 A 7 7 LYS H H 7 8.207 8.535 -0.328 1
1 56 . 8 1 1 A 7 7 LYS C C 7 176.792 176.160 0.632 1
1 57 . 8 1 1 A 7 7 LYS N N 7 123.109 122.878 0.231 1
1 58 . 8 1 1 A 8 8 LYS H H 8 8.258 8.977 -0.719 1
1 59 . 8 1 1 A 8 8 LYS C C 8 176.903 174.811 2.092 1
1 60 . 8 1 1 A 8 8 LYS N N 8 122.855 124.436 -1.581 1
1 61 . 8 1 1 A 9 9 SER H H 9 8.197 7.869 0.328 1
1 62 . 8 1 1 A 9 9 SER HA H 9 4.243 4.917 -0.674 1
1 65 . 8 1 1 A 9 9 SER C C 9 174.667 172.582 2.085 1
1 66 . 8 1 1 A 9 9 SER CA C 9 58.831 57.341 1.490 1
1 67 . 8 1 1 A 9 9 SER CB C 9 63.763 67.748 -3.985 1
1 68 . 8 1 1 A 9 9 SER N N 9 116.772 112.163 4.609 1
1 69 . 8 1 1 A 10 10 GLU H H 10 8.280 8.733 -0.453 1
1 70 . 8 1 1 A 10 10 GLU HA H 10 4.201 4.664 -0.463 1
1 73 . 8 1 1 A 10 10 GLU C C 10 176.530 174.849 1.681 1
1 74 . 8 1 1 A 10 10 GLU CA C 10 56.610 55.328 1.282 1
1 75 . 8 1 1 A 10 10 GLU CB C 10 30.511 32.779 -2.268 1
1 76 . 8 1 1 A 10 10 GLU N N 10 123.218 121.601 1.617 1
1 77 . 8 1 1 A 11 11 VAL H H 11 8.032 8.415 -0.383 1
1 78 . 8 1 1 A 11 11 VAL HA H 11 3.888 4.211 -0.323 1
1 86 . 8 1 1 A 11 11 VAL C C 11 176.344 176.987 -0.643 1
1 87 . 8 1 1 A 11 11 VAL CA C 11 62.778 62.343 0.435 1
1 88 . 8 1 1 A 11 11 VAL CB C 11 32.229 31.878 0.351 1
1 91 . 8 1 1 A 11 11 VAL N N 11 121.505 121.389 0.116 1
1 92 . 8 1 1 A 12 12 ARG H H 12 8.269 8.595 -0.326 1
1 93 . 8 1 1 A 12 12 ARG HA H 12 4.195 4.085 0.110 1
1 98 . 8 1 1 A 12 12 ARG C C 12 176.344 175.832 0.512 1
1 99 . 8 1 1 A 12 12 ARG CA C 12 56.173 58.377 -2.204 1
1 100 . 8 1 1 A 12 12 ARG CB C 12 30.859 30.115 0.744 1
1 102 . 8 1 1 A 12 12 ARG N N 12 124.717 123.586 1.131 1
1 103 . 8 1 1 A 13 13 GLN H H 13 8.246 7.840 0.406 1
1 104 . 8 1 1 A 13 13 GLN HA H 13 4.208 4.543 -0.335 1
1 111 . 8 1 1 A 13 13 GLN C C 13 175.971 175.760 0.211 1
1 112 . 8 1 1 A 13 13 GLN CA C 13 55.916 54.519 1.397 1
1 113 . 8 1 1 A 13 13 GLN CB C 13 29.864 29.494 0.370 1
1 115 . 8 1 1 A 13 13 GLN N N 13 121.386 119.098 2.288 1
1 117 . 8 1 1 A 14 14 LYS H H 14 8.276 8.649 -0.373 1
1 118 . 8 1 1 A 14 14 LYS HA H 14 4.149 4.123 0.026 1
1 127 . 8 1 1 A 14 14 LYS C C 14 175.971 176.610 -0.639 1
1 128 . 8 1 1 A 14 14 LYS CA C 14 56.518 58.748 -2.230 1
1 129 . 8 1 1 A 14 14 LYS CB C 14 33.073 32.231 0.842 1
1 133 . 8 1 1 A 14 14 LYS N N 14 123.021 124.476 -1.455 1
1 134 . 8 1 1 A 15 15 THR H H 15 7.720 7.616 0.104 1
1 135 . 8 1 1 A 15 15 THR HA H 15 4.225 4.314 -0.089 1
1 140 . 8 1 1 A 15 15 THR C C 15 173.801 174.065 -0.264 1
1 141 . 8 1 1 A 15 15 THR CA C 15 62.211 62.963 -0.752 1
1 142 . 8 1 1 A 15 15 THR CB C 15 70.979 69.441 1.538 1
1 144 . 8 1 1 A 15 15 THR N N 15 114.171 116.044 -1.873 1
1 145 . 8 1 1 A 16 16 VAL H H 16 9.143 8.276 0.867 1
1 146 . 8 1 1 A 16 16 VAL HA H 16 4.004 4.666 -0.662 1
1 154 . 8 1 1 A 16 16 VAL C C 16 174.853 174.730 0.123 1
1 155 . 8 1 1 A 16 16 VAL CA C 16 62.452 61.205 1.247 1
1 156 . 8 1 1 A 16 16 VAL CB C 16 33.361 33.715 -0.354 1
1 159 . 8 1 1 A 16 16 VAL N N 16 126.087 125.439 0.648 1
1 160 . 8 1 1 A 17 17 VAL H H 17 8.364 8.684 -0.320 1
1 161 . 8 1 1 A 17 17 VAL HA H 17 4.653 4.890 -0.237 1
1 169 . 8 1 1 A 17 17 VAL C C 17 176.716 174.365 2.351 1
1 170 . 8 1 1 A 17 17 VAL CA C 17 61.419 60.203 1.216 1
1 171 . 8 1 1 A 17 17 VAL CB C 17 33.022 34.492 -1.470 1
1 174 . 8 1 1 A 17 17 VAL N N 17 127.119 125.486 1.633 1
1 175 . 8 1 1 A 18 18 ARG H H 18 9.038 8.769 0.269 1
1 176 . 8 1 1 A 18 18 ARG HA H 18 4.669 4.768 -0.099 1
1 181 . 8 1 1 A 18 18 ARG C C 18 174.480 174.117 0.363 1
1 182 . 8 1 1 A 18 18 ARG CA C 18 54.148 54.943 -0.795 1
1 183 . 8 1 1 A 18 18 ARG CB C 18 33.202 32.859 0.343 1
1 185 . 8 1 1 A 18 18 ARG N N 18 126.432 129.476 -3.044 1
1 186 . 8 1 1 A 19 19 THR H H 19 8.536 8.577 -0.041 1
1 187 . 8 1 1 A 19 19 THR HA H 19 4.727 4.942 -0.215 1
1 192 . 8 1 1 A 19 19 THR C C 19 173.644 172.818 0.826 1
1 193 . 8 1 1 A 19 19 THR CA C 19 62.000 62.317 -0.317 1
1 194 . 8 1 1 A 19 19 THR CB C 19 69.919 69.908 0.011 1
1 196 . 8 1 1 A 19 19 THR N N 19 118.670 115.728 2.942 1
1 197 . 8 1 1 A 20 20 LEU H H 20 8.972 9.175 -0.203 1
1 198 . 8 1 1 A 20 20 LEU HA H 20 4.430 4.893 -0.463 1
1 208 . 8 1 1 A 20 20 LEU C C 20 174.294 175.228 -0.934 1
1 209 . 8 1 1 A 20 20 LEU CA C 20 52.892 53.547 -0.655 1
1 210 . 8 1 1 A 20 20 LEU CB C 20 45.825 43.801 2.024 1
1 214 . 8 1 1 A 20 20 LEU N N 20 128.320 129.627 -1.307 1
1 215 . 8 1 1 A 21 21 ARG H H 21 7.938 8.603 -0.665 1
1 216 . 8 1 1 A 21 21 ARG HA H 21 4.945 4.778 0.167 1
1 223 . 8 1 1 A 21 21 ARG C C 21 175.333 175.711 -0.378 1
1 224 . 8 1 1 A 21 21 ARG CA C 21 54.721 55.847 -1.126 1
1 225 . 8 1 1 A 21 21 ARG CB C 21 32.512 32.341 0.171 1
1 228 . 8 1 1 A 21 21 ARG N N 21 119.462 126.582 -7.120 1
1 229 . 8 1 1 A 22 22 PHE H H 22 9.021 8.860 0.161 1
1 230 . 8 1 1 A 22 22 PHE HA H 22 4.777 5.021 -0.244 1
1 238 . 8 1 1 A 22 22 PHE C C 22 175.039 174.917 0.122 1
1 239 . 8 1 1 A 22 22 PHE CA C 22 56.549 56.935 -0.386 1
1 240 . 8 1 1 A 22 22 PHE CB C 22 43.356 43.390 -0.034 1
1 246 . 8 1 1 A 22 22 PHE N N 22 120.286 119.456 0.830 1
1 247 . 8 1 1 A 23 23 SER H H 23 9.411 8.976 0.435 1
1 248 . 8 1 1 A 23 23 SER HA H 23 4.937 4.769 0.168 1
1 249 . 8 1 1 A 23 23 SER C C 23 177.544 174.610 2.934 1
1 250 . 8 1 1 A 23 23 SER CA C 23 56.727 57.225 -0.498 1
1 251 . 8 1 1 A 23 23 SER N N 23 119.420 119.415 0.005 1
1 252 . 8 1 1 A 24 24 PRO HA H 24 4.095 4.309 -0.214 1
1 259 . 8 1 1 A 24 24 PRO C C 24 179.325 178.923 0.402 1
1 260 . 8 1 1 A 24 24 PRO CA C 24 66.570 65.739 0.831 1
1 261 . 8 1 1 A 24 24 PRO CB C 24 31.862 31.745 0.117 1
1 264 . 8 1 1 A 25 25 VAL H H 25 7.563 7.515 0.048 1
1 265 . 8 1 1 A 25 25 VAL HA H 25 3.779 3.768 0.011 1
1 273 . 8 1 1 A 25 25 VAL C C 25 178.846 178.083 0.763 1
1 274 . 8 1 1 A 25 25 VAL CA C 25 65.693 65.466 0.227 1
1 275 . 8 1 1 A 25 25 VAL CB C 25 32.040 31.481 0.559 1
1 278 . 8 1 1 A 25 25 VAL N N 25 116.405 115.618 0.787 1
1 279 . 8 1 1 A 26 26 GLU H H 26 7.512 8.339 -0.827 1
1 280 . 8 1 1 A 26 26 GLU HA H 26 3.838 4.036 -0.198 1
1 285 . 8 1 1 A 26 26 GLU C C 26 178.766 178.799 -0.033 1
1 286 . 8 1 1 A 26 26 GLU CA C 26 58.902 59.630 -0.728 1
1 287 . 8 1 1 A 26 26 GLU CB C 26 30.798 29.362 1.436 1
1 289 . 8 1 1 A 26 26 GLU N N 26 122.557 119.255 3.302 1
1 290 . 8 1 1 A 27 27 ASP H H 27 8.669 8.598 0.071 1
1 291 . 8 1 1 A 27 27 ASP HA H 27 3.900 4.212 -0.312 1
1 294 . 8 1 1 A 27 27 ASP C C 27 177.586 178.553 -0.967 1
1 295 . 8 1 1 A 27 27 ASP CA C 27 57.954 57.686 0.268 1
1 296 . 8 1 1 A 27 27 ASP CB C 27 43.617 42.088 1.529 1
1 297 . 8 1 1 A 27 27 ASP N N 27 118.012 120.625 -2.613 1
1 298 . 8 1 1 A 28 28 GLU H H 28 7.875 8.412 -0.537 1
1 299 . 8 1 1 A 28 28 GLU HA H 28 3.738 4.006 -0.268 1
1 302 . 8 1 1 A 28 28 GLU C C 28 178.837 178.877 -0.040 1
1 303 . 8 1 1 A 28 28 GLU CA C 28 59.710 59.168 0.542 1
1 304 . 8 1 1 A 28 28 GLU CB C 28 29.550 29.719 -0.169 1
1 305 . 8 1 1 A 28 28 GLU N N 28 118.040 118.991 -0.951 1
1 306 . 8 1 1 A 29 29 THR H H 29 7.662 8.170 -0.508 1
1 307 . 8 1 1 A 29 29 THR HA H 29 3.739 3.911 -0.172 1
1 312 . 8 1 1 A 29 29 THR C C 29 176.344 176.024 0.320 1
1 313 . 8 1 1 A 29 29 THR CA C 29 66.756 67.251 -0.495 1
1 314 . 8 1 1 A 29 29 THR CB C 29 68.663 68.708 -0.045 1
1 316 . 8 1 1 A 29 29 THR N N 29 116.635 116.397 0.238 1
1 317 . 8 1 1 A 30 30 ILE H H 30 7.875 8.316 -0.441 1
1 318 . 8 1 1 A 30 30 ILE HA H 30 3.159 3.541 -0.382 1
1 328 . 8 1 1 A 30 30 ILE C C 30 176.903 177.895 -0.992 1
1 329 . 8 1 1 A 30 30 ILE CA C 30 65.390 65.556 -0.166 1
1 330 . 8 1 1 A 30 30 ILE CB C 30 37.356 37.602 -0.246 1
1 334 . 8 1 1 A 30 30 ILE N N 30 121.804 121.053 0.751 1
1 335 . 8 1 1 A 31 31 ARG H H 31 8.502 8.167 0.335 1
1 336 . 8 1 1 A 31 31 ARG HA H 31 3.508 3.802 -0.294 1
1 343 . 8 1 1 A 31 31 ARG C C 31 179.262 178.768 0.494 1
1 344 . 8 1 1 A 31 31 ARG CA C 31 60.462 59.826 0.636 1
1 345 . 8 1 1 A 31 31 ARG CB C 31 30.075 29.960 0.115 1
1 348 . 8 1 1 A 31 31 ARG N N 31 119.175 120.290 -1.115 1
1 349 . 8 1 1 A 32 32 LYS H H 32 7.497 8.010 -0.513 1
1 350 . 8 1 1 A 32 32 LYS HA H 32 3.884 4.029 -0.145 1
1 357 . 8 1 1 A 32 32 LYS C C 32 178.207 179.093 -0.886 1
1 358 . 8 1 1 A 32 32 LYS CA C 32 59.176 59.447 -0.271 1
1 359 . 8 1 1 A 32 32 LYS CB C 32 32.020 32.055 -0.035 1
1 362 . 8 1 1 A 32 32 LYS N N 32 119.486 117.685 1.801 1
1 363 . 8 1 1 A 33 33 LYS H H 33 7.540 7.938 -0.398 1
1 366 . 8 1 1 A 33 33 LYS C C 33 179.884 178.440 1.444 1
1 367 . 8 1 1 A 33 33 LYS CB C 33 32.095 31.988 0.107 1
1 368 . 8 1 1 A 33 33 LYS N N 33 119.050 120.145 -1.095 1
1 369 . 8 1 1 A 34 34 ALA H H 34 8.208 8.007 0.201 1
1 370 . 8 1 1 A 34 34 ALA HA H 34 3.448 3.771 -0.323 1
1 374 . 8 1 1 A 34 34 ALA C C 34 179.325 178.833 0.492 1
1 375 . 8 1 1 A 34 34 ALA CA C 34 55.826 55.133 0.693 1
1 376 . 8 1 1 A 34 34 ALA CB C 34 17.665 18.251 -0.586 1
1 377 . 8 1 1 A 34 34 ALA N N 34 122.909 121.207 1.702 1
1 378 . 8 1 1 A 35 35 GLU H H 35 7.997 8.338 -0.341 1
1 379 . 8 1 1 A 35 35 GLU HA H 35 3.877 4.018 -0.141 1
1 382 . 8 1 1 A 35 35 GLU C C 35 181.002 177.884 3.118 1
1 383 . 8 1 1 A 35 35 GLU CA C 35 59.737 59.368 0.369 1
1 384 . 8 1 1 A 35 35 GLU CB C 35 29.381 28.947 0.434 1
1 385 . 8 1 1 A 35 35 GLU N N 35 119.482 118.438 1.044 1
1 386 . 8 1 1 A 36 36 ASP H H 36 8.405 8.329 0.076 1
1 387 . 8 1 1 A 36 36 ASP HA H 36 4.279 4.375 -0.096 1
1 390 . 8 1 1 A 36 36 ASP C C 36 177.834 178.013 -0.179 1
1 391 . 8 1 1 A 36 36 ASP CA C 36 57.178 56.944 0.234 1
1 392 . 8 1 1 A 36 36 ASP CB C 36 40.502 40.787 -0.285 1
1 393 . 8 1 1 A 36 36 ASP N N 36 120.553 120.479 0.074 1
1 394 . 8 1 1 A 37 37 SER H H 37 7.481 7.738 -0.257 1
1 395 . 8 1 1 A 37 37 SER HA H 37 4.450 4.504 -0.054 1
1 398 . 8 1 1 A 37 37 SER C C 37 174.294 174.765 -0.471 1
1 399 . 8 1 1 A 37 37 SER CA C 37 59.149 58.382 0.767 1
1 400 . 8 1 1 A 37 37 SER CB C 37 64.866 63.693 1.173 1
1 401 . 8 1 1 A 37 37 SER N N 37 112.666 112.716 -0.050 1
1 402 . 8 1 1 A 38 38 GLY H H 38 7.871 8.606 -0.735 1
1 403 . 8 1 1 A 38 38 GLY HA2 H 38 3.895 3.960 -0.065 1
1 404 . 8 1 1 A 38 38 GLY HA3 H 38 3.772 3.969 -0.197 1
1 405 . 8 1 1 A 38 38 GLY C C 38 174.108 173.852 0.256 1
1 406 . 8 1 1 A 38 38 GLY CA C 38 46.433 46.376 0.057 1
1 407 . 8 1 1 A 38 38 GLY N N 38 110.893 109.808 1.085 1
1 408 . 8 1 1 A 39 39 LEU H H 39 7.850 7.661 0.189 1
1 409 . 8 1 1 A 39 39 LEU HA H 39 4.782 4.737 0.045 1
1 419 . 8 1 1 A 39 39 LEU C C 39 177.538 175.308 2.230 1
1 420 . 8 1 1 A 39 39 LEU CA C 39 53.141 53.429 -0.288 1
1 421 . 8 1 1 A 39 39 LEU CB C 39 47.097 45.485 1.612 1
1 425 . 8 1 1 A 39 39 LEU N N 39 119.947 120.431 -0.484 1
1 426 . 8 1 1 A 40 40 THR H H 40 7.654 8.497 -0.843 1
1 427 . 8 1 1 A 40 40 THR HA H 40 4.234 4.424 -0.190 1
1 432 . 8 1 1 A 40 40 THR C C 40 175.658 175.753 -0.095 1
1 433 . 8 1 1 A 40 40 THR CA C 40 61.188 62.563 -1.375 1
1 434 . 8 1 1 A 40 40 THR CB C 40 70.501 69.144 1.357 1
1 436 . 8 1 1 A 40 40 THR N N 40 109.345 118.540 -9.195 1
1 437 . 8 1 1 A 41 41 VAL H H 41 8.721 8.735 -0.014 1
1 438 . 8 1 1 A 41 41 VAL HA H 41 3.239 3.711 -0.472 1
1 446 . 8 1 1 A 41 41 VAL C C 41 178.021 177.424 0.597 1
1 447 . 8 1 1 A 41 41 VAL CA C 41 68.189 66.728 1.461 1
1 448 . 8 1 1 A 41 41 VAL CB C 41 31.300 31.727 -0.427 1
1 451 . 8 1 1 A 41 41 VAL N N 41 121.470 128.030 -6.560 1
1 452 . 8 1 1 A 42 42 SER H H 42 8.424 8.241 0.183 1
1 453 . 8 1 1 A 42 42 SER HA H 42 3.742 4.193 -0.451 1
1 454 . 8 1 1 A 42 42 SER C C 42 175.785 177.193 -1.408 1
1 455 . 8 1 1 A 42 42 SER CA C 42 62.514 61.295 1.219 1
1 456 . 8 1 1 A 42 42 SER N N 42 113.251 114.129 -0.878 1
1 457 . 8 1 1 A 43 43 ALA H H 43 7.494 7.489 0.005 1
1 458 . 8 1 1 A 43 43 ALA HA H 43 3.916 4.109 -0.193 1
1 462 . 8 1 1 A 43 43 ALA C C 43 179.884 179.124 0.760 1
1 463 . 8 1 1 A 43 43 ALA CA C 43 55.172 54.969 0.203 1
1 464 . 8 1 1 A 43 43 ALA CB C 43 19.490 18.470 1.020 1
1 465 . 8 1 1 A 43 43 ALA N N 43 123.328 124.158 -0.830 1
1 466 . 8 1 1 A 44 44 TYR H H 44 8.662 8.794 -0.132 1
1 467 . 8 1 1 A 44 44 TYR HA H 44 3.742 4.083 -0.341 1
1 474 . 8 1 1 A 44 44 TYR C C 44 177.593 177.354 0.239 1
1 475 . 8 1 1 A 44 44 TYR CA C 44 62.514 61.640 0.874 1
1 476 . 8 1 1 A 44 44 TYR CB C 44 39.211 38.742 0.469 1
1 481 . 8 1 1 A 44 44 TYR N N 44 119.611 119.969 -0.358 1
1 482 . 8 1 1 A 45 45 ILE H H 45 8.445 8.604 -0.159 1
1 483 . 8 1 1 A 45 45 ILE HA H 45 3.138 3.597 -0.459 1
1 493 . 8 1 1 A 45 45 ILE C C 45 177.462 177.898 -0.436 1
1 494 . 8 1 1 A 45 45 ILE CA C 45 66.393 64.802 1.591 1
1 495 . 8 1 1 A 45 45 ILE CB C 45 37.810 37.802 0.008 1
1 499 . 8 1 1 A 45 45 ILE N N 45 118.859 121.080 -2.221 1
1 500 . 8 1 1 A 46 46 ARG H H 46 8.026 7.821 0.205 1
1 501 . 8 1 1 A 46 46 ARG HA H 46 3.635 4.025 -0.390 1
1 506 . 8 1 1 A 46 46 ARG C C 46 177.462 178.342 -0.880 1
1 507 . 8 1 1 A 46 46 ARG CA C 46 60.816 58.876 1.940 1
1 508 . 8 1 1 A 46 46 ARG CB C 46 30.287 30.100 0.187 1
1 510 . 8 1 1 A 46 46 ARG N N 46 117.983 120.656 -2.673 1
1 511 . 8 1 1 A 47 47 ASN H H 47 8.026 8.713 -0.687 1
1 512 . 8 1 1 A 47 47 ASN HA H 47 4.078 4.328 -0.250 1
1 517 . 8 1 1 A 47 47 ASN C C 47 177.648 177.083 0.565 1
1 518 . 8 1 1 A 47 47 ASN CA C 47 56.329 56.913 -0.584 1
1 519 . 8 1 1 A 47 47 ASN CB C 47 38.112 39.562 -1.450 1
1 520 . 8 1 1 A 47 47 ASN N N 47 115.323 118.023 -2.700 1
1 522 . 8 1 1 A 48 48 ALA H H 48 7.809 7.802 0.007 1
1 523 . 8 1 1 A 48 48 ALA HA H 48 3.792 3.945 -0.153 1
1 527 . 8 1 1 A 48 48 ALA C C 48 179.325 180.096 -0.771 1
1 528 . 8 1 1 A 48 48 ALA CA C 48 54.393 54.693 -0.300 1
1 529 . 8 1 1 A 48 48 ALA CB C 48 16.905 17.899 -0.994 1
1 530 . 8 1 1 A 48 48 ALA N N 48 121.450 121.236 0.214 1
1 531 . 8 1 1 A 49 49 ALA H H 49 7.863 7.715 0.148 1
1 532 . 8 1 1 A 49 49 ALA HA H 49 3.821 4.059 -0.238 1
1 536 . 8 1 1 A 49 49 ALA C C 49 178.503 179.420 -0.917 1
1 537 . 8 1 1 A 49 49 ALA CA C 49 54.016 54.686 -0.670 1
1 538 . 8 1 1 A 49 49 ALA CB C 49 19.693 18.406 1.287 1
1 539 . 8 1 1 A 49 49 ALA N N 49 117.188 120.125 -2.937 1
1 540 . 8 1 1 A 50 50 LEU H H 50 7.610 7.685 -0.075 1
1 541 . 8 1 1 A 50 50 LEU HA H 50 4.062 4.182 -0.120 1
1 551 . 8 1 1 A 50 50 LEU C C 50 176.716 178.919 -2.203 1
1 552 . 8 1 1 A 50 50 LEU CA C 50 55.766 57.035 -1.269 1
1 553 . 8 1 1 A 50 50 LEU CB C 50 43.320 41.753 1.567 1
1 557 . 8 1 1 A 50 50 LEU N N 50 116.113 118.945 -2.832 1
1 6 . 9 1 1 A 2 2 ASP HA H 2 4.569 4.784 -0.215 1
1 9 . 9 1 1 A 2 2 ASP C C 2 176.530 174.757 1.773 1
1 10 . 9 1 1 A 2 2 ASP CA C 2 54.589 53.587 1.002 1
1 11 . 9 1 1 A 2 2 ASP CB C 2 41.462 39.141 2.321 1
1 12 . 9 1 1 A 3 3 SER H H 3 8.267 8.850 -0.583 1
1 13 . 9 1 1 A 3 3 SER HA H 3 4.276 5.161 -0.885 1
1 16 . 9 1 1 A 3 3 SER C C 3 174.667 173.481 1.186 1
1 17 . 9 1 1 A 3 3 SER CA C 3 58.605 57.636 0.969 1
1 18 . 9 1 1 A 3 3 SER CB C 3 63.763 64.214 -0.451 1
1 19 . 9 1 1 A 3 3 SER N N 3 116.529 122.233 -5.704 1
1 20 . 9 1 1 A 4 4 ALA H H 4 8.196 8.962 -0.766 1
1 21 . 9 1 1 A 4 4 ALA HA H 4 4.179 5.223 -1.044 1
1 25 . 9 1 1 A 4 4 ALA C C 4 178.021 175.725 2.296 1
1 26 . 9 1 1 A 4 4 ALA CA C 4 52.977 51.029 1.948 1
1 27 . 9 1 1 A 4 4 ALA CB C 4 19.202 23.322 -4.120 1
1 28 . 9 1 1 A 4 4 ALA N N 4 125.751 127.515 -1.764 1
1 29 . 9 1 1 A 5 5 VAL H H 5 7.811 8.851 -1.040 1
1 30 . 9 1 1 A 5 5 VAL HA H 5 3.912 4.950 -1.038 1
1 38 . 9 1 1 A 5 5 VAL C C 5 176.344 175.400 0.944 1
1 39 . 9 1 1 A 5 5 VAL CA C 5 62.506 59.037 3.469 1
1 40 . 9 1 1 A 5 5 VAL CB C 5 32.588 35.997 -3.409 1
1 43 . 9 1 1 A 5 5 VAL N N 5 118.872 115.651 3.221 1
1 44 . 9 1 1 A 6 6 ARG H H 6 8.146 8.817 -0.671 1
1 45 . 9 1 1 A 6 6 ARG HA H 6 4.195 4.683 -0.488 1
1 50 . 9 1 1 A 6 6 ARG C C 6 176.344 175.875 0.469 1
1 51 . 9 1 1 A 6 6 ARG CA C 6 56.173 55.327 0.846 1
1 52 . 9 1 1 A 6 6 ARG CB C 6 30.859 31.190 -0.331 1
1 54 . 9 1 1 A 6 6 ARG N N 6 124.824 121.282 3.542 1
1 55 . 9 1 1 A 7 7 LYS H H 7 8.207 7.619 0.588 1
1 56 . 9 1 1 A 7 7 LYS C C 7 176.792 175.852 0.940 1
1 57 . 9 1 1 A 7 7 LYS N N 7 123.109 120.915 2.194 1
1 58 . 9 1 1 A 8 8 LYS H H 8 8.258 8.500 -0.242 1
1 59 . 9 1 1 A 8 8 LYS C C 8 176.903 175.407 1.496 1
1 60 . 9 1 1 A 8 8 LYS N N 8 122.855 120.268 2.587 1
1 61 . 9 1 1 A 9 9 SER H H 9 8.197 8.550 -0.353 1
1 62 . 9 1 1 A 9 9 SER HA H 9 4.243 4.844 -0.601 1
1 65 . 9 1 1 A 9 9 SER C C 9 174.667 174.771 -0.104 1
1 66 . 9 1 1 A 9 9 SER CA C 9 58.831 57.060 1.771 1
1 67 . 9 1 1 A 9 9 SER CB C 9 63.763 64.975 -1.212 1
1 68 . 9 1 1 A 9 9 SER N N 9 116.772 113.565 3.207 1
1 69 . 9 1 1 A 10 10 GLU H H 10 8.280 7.757 0.523 1
1 70 . 9 1 1 A 10 10 GLU HA H 10 4.201 4.503 -0.302 1
1 73 . 9 1 1 A 10 10 GLU C C 10 176.530 175.489 1.041 1
1 74 . 9 1 1 A 10 10 GLU CA C 10 56.610 55.748 0.862 1
1 75 . 9 1 1 A 10 10 GLU CB C 10 30.511 31.226 -0.715 1
1 76 . 9 1 1 A 10 10 GLU N N 10 123.218 121.902 1.316 1
1 77 . 9 1 1 A 11 11 VAL H H 11 8.032 8.708 -0.676 1
1 78 . 9 1 1 A 11 11 VAL HA H 11 3.888 4.321 -0.433 1
1 86 . 9 1 1 A 11 11 VAL C C 11 176.344 175.956 0.388 1
1 87 . 9 1 1 A 11 11 VAL CA C 11 62.778 62.198 0.580 1
1 88 . 9 1 1 A 11 11 VAL CB C 11 32.229 35.056 -2.827 1
1 91 . 9 1 1 A 11 11 VAL N N 11 121.505 122.663 -1.158 1
1 92 . 9 1 1 A 12 12 ARG H H 12 8.269 7.930 0.339 1
1 93 . 9 1 1 A 12 12 ARG HA H 12 4.195 3.877 0.318 1
1 98 . 9 1 1 A 12 12 ARG C C 12 176.344 174.221 2.123 1
1 99 . 9 1 1 A 12 12 ARG CA C 12 56.173 57.118 -0.945 1
1 100 . 9 1 1 A 12 12 ARG CB C 12 30.859 27.191 3.668 1
1 102 . 9 1 1 A 12 12 ARG N N 12 124.717 119.351 5.366 1
1 103 . 9 1 1 A 13 13 GLN H H 13 8.246 7.870 0.376 1
1 104 . 9 1 1 A 13 13 GLN HA H 13 4.208 4.696 -0.488 1
1 111 . 9 1 1 A 13 13 GLN C C 13 175.971 176.280 -0.309 1
1 112 . 9 1 1 A 13 13 GLN CA C 13 55.916 54.375 1.541 1
1 113 . 9 1 1 A 13 13 GLN CB C 13 29.864 30.256 -0.392 1
1 115 . 9 1 1 A 13 13 GLN N N 13 121.386 118.469 2.917 1
1 117 . 9 1 1 A 14 14 LYS H H 14 8.276 8.717 -0.441 1
1 118 . 9 1 1 A 14 14 LYS HA H 14 4.149 4.244 -0.095 1
1 127 . 9 1 1 A 14 14 LYS C C 14 175.971 176.490 -0.519 1
1 128 . 9 1 1 A 14 14 LYS CA C 14 56.518 58.454 -1.936 1
1 129 . 9 1 1 A 14 14 LYS CB C 14 33.073 32.806 0.267 1
1 133 . 9 1 1 A 14 14 LYS N N 14 123.021 123.372 -0.351 1
1 134 . 9 1 1 A 15 15 THR H H 15 7.720 7.564 0.156 1
1 135 . 9 1 1 A 15 15 THR HA H 15 4.225 4.371 -0.146 1
1 140 . 9 1 1 A 15 15 THR C C 15 173.801 173.541 0.260 1
1 141 . 9 1 1 A 15 15 THR CA C 15 62.211 61.154 1.057 1
1 142 . 9 1 1 A 15 15 THR CB C 15 70.979 70.047 0.932 1
1 144 . 9 1 1 A 15 15 THR N N 15 114.171 116.000 -1.829 1
1 145 . 9 1 1 A 16 16 VAL H H 16 9.143 8.528 0.615 1
1 146 . 9 1 1 A 16 16 VAL HA H 16 4.004 4.896 -0.892 1
1 154 . 9 1 1 A 16 16 VAL C C 16 174.853 174.506 0.347 1
1 155 . 9 1 1 A 16 16 VAL CA C 16 62.452 60.559 1.893 1
1 156 . 9 1 1 A 16 16 VAL CB C 16 33.361 35.704 -2.343 1
1 159 . 9 1 1 A 16 16 VAL N N 16 126.087 121.813 4.274 1
1 160 . 9 1 1 A 17 17 VAL H H 17 8.364 8.869 -0.505 1
1 161 . 9 1 1 A 17 17 VAL HA H 17 4.653 4.874 -0.221 1
1 169 . 9 1 1 A 17 17 VAL C C 17 176.716 174.329 2.387 1
1 170 . 9 1 1 A 17 17 VAL CA C 17 61.419 60.195 1.224 1
1 171 . 9 1 1 A 17 17 VAL CB C 17 33.022 34.797 -1.775 1
1 174 . 9 1 1 A 17 17 VAL N N 17 127.119 124.822 2.297 1
1 175 . 9 1 1 A 18 18 ARG H H 18 9.038 8.906 0.132 1
1 176 . 9 1 1 A 18 18 ARG HA H 18 4.669 4.818 -0.149 1
1 181 . 9 1 1 A 18 18 ARG C C 18 174.480 174.270 0.210 1
1 182 . 9 1 1 A 18 18 ARG CA C 18 54.148 54.617 -0.469 1
1 183 . 9 1 1 A 18 18 ARG CB C 18 33.202 33.222 -0.020 1
1 185 . 9 1 1 A 18 18 ARG N N 18 126.432 129.559 -3.127 1
1 186 . 9 1 1 A 19 19 THR H H 19 8.536 8.591 -0.055 1
1 187 . 9 1 1 A 19 19 THR HA H 19 4.727 4.771 -0.044 1
1 192 . 9 1 1 A 19 19 THR C C 19 173.644 172.981 0.663 1
1 193 . 9 1 1 A 19 19 THR CA C 19 62.000 62.072 -0.072 1
1 194 . 9 1 1 A 19 19 THR CB C 19 69.919 69.676 0.243 1
1 196 . 9 1 1 A 19 19 THR N N 19 118.670 116.715 1.955 1
1 197 . 9 1 1 A 20 20 LEU H H 20 8.972 9.157 -0.185 1
1 198 . 9 1 1 A 20 20 LEU HA H 20 4.430 4.764 -0.334 1
1 208 . 9 1 1 A 20 20 LEU C C 20 174.294 175.163 -0.869 1
1 209 . 9 1 1 A 20 20 LEU CA C 20 52.892 53.784 -0.892 1
1 210 . 9 1 1 A 20 20 LEU CB C 20 45.825 43.429 2.396 1
1 214 . 9 1 1 A 20 20 LEU N N 20 128.320 129.765 -1.445 1
1 215 . 9 1 1 A 21 21 ARG H H 21 7.938 8.603 -0.665 1
1 216 . 9 1 1 A 21 21 ARG HA H 21 4.945 4.610 0.335 1
1 223 . 9 1 1 A 21 21 ARG C C 21 175.333 175.434 -0.101 1
1 224 . 9 1 1 A 21 21 ARG CA C 21 54.721 55.985 -1.264 1
1 225 . 9 1 1 A 21 21 ARG CB C 21 32.512 31.738 0.774 1
1 228 . 9 1 1 A 21 21 ARG N N 21 119.462 126.707 -7.245 1
1 229 . 9 1 1 A 22 22 PHE H H 22 9.021 8.903 0.118 1
1 230 . 9 1 1 A 22 22 PHE HA H 22 4.777 5.109 -0.332 1
1 238 . 9 1 1 A 22 22 PHE C C 22 175.039 174.716 0.323 1
1 239 . 9 1 1 A 22 22 PHE CA C 22 56.549 56.795 -0.246 1
1 240 . 9 1 1 A 22 22 PHE CB C 22 43.356 43.284 0.072 1
1 246 . 9 1 1 A 22 22 PHE N N 22 120.286 119.647 0.639 1
1 247 . 9 1 1 A 23 23 SER H H 23 9.411 9.029 0.382 1
1 248 . 9 1 1 A 23 23 SER HA H 23 4.937 4.713 0.224 1
1 249 . 9 1 1 A 23 23 SER C C 23 177.544 174.682 2.862 1
1 250 . 9 1 1 A 23 23 SER CA C 23 56.727 57.338 -0.611 1
1 251 . 9 1 1 A 23 23 SER N N 23 119.420 119.583 -0.163 1
1 252 . 9 1 1 A 24 24 PRO HA H 24 4.095 4.263 -0.168 1
1 259 . 9 1 1 A 24 24 PRO C C 24 179.325 178.787 0.538 1
1 260 . 9 1 1 A 24 24 PRO CA C 24 66.570 65.691 0.879 1
1 261 . 9 1 1 A 24 24 PRO CB C 24 31.862 31.728 0.134 1
1 264 . 9 1 1 A 25 25 VAL H H 25 7.563 7.481 0.082 1
1 265 . 9 1 1 A 25 25 VAL HA H 25 3.779 3.788 -0.009 1
1 273 . 9 1 1 A 25 25 VAL C C 25 178.846 178.061 0.785 1
1 274 . 9 1 1 A 25 25 VAL CA C 25 65.693 65.430 0.263 1
1 275 . 9 1 1 A 25 25 VAL CB C 25 32.040 31.523 0.517 1
1 278 . 9 1 1 A 25 25 VAL N N 25 116.405 116.291 0.114 1
1 279 . 9 1 1 A 26 26 GLU H H 26 7.512 8.385 -0.873 1
1 280 . 9 1 1 A 26 26 GLU HA H 26 3.838 3.991 -0.153 1
1 285 . 9 1 1 A 26 26 GLU C C 26 178.766 179.059 -0.293 1
1 286 . 9 1 1 A 26 26 GLU CA C 26 58.902 59.911 -1.009 1
1 287 . 9 1 1 A 26 26 GLU CB C 26 30.798 29.430 1.368 1
1 289 . 9 1 1 A 26 26 GLU N N 26 122.557 118.910 3.647 1
1 290 . 9 1 1 A 27 27 ASP H H 27 8.669 8.130 0.539 1
1 291 . 9 1 1 A 27 27 ASP HA H 27 3.900 4.165 -0.265 1
1 294 . 9 1 1 A 27 27 ASP C C 27 177.586 178.475 -0.889 1
1 295 . 9 1 1 A 27 27 ASP CA C 27 57.954 57.427 0.527 1
1 296 . 9 1 1 A 27 27 ASP CB C 27 43.617 41.319 2.298 1
1 297 . 9 1 1 A 27 27 ASP N N 27 118.012 119.752 -1.740 1
1 298 . 9 1 1 A 28 28 GLU H H 28 7.875 8.398 -0.523 1
1 299 . 9 1 1 A 28 28 GLU HA H 28 3.738 3.957 -0.219 1
1 302 . 9 1 1 A 28 28 GLU C C 28 178.837 179.310 -0.473 1
1 303 . 9 1 1 A 28 28 GLU CA C 28 59.710 59.291 0.419 1
1 304 . 9 1 1 A 28 28 GLU CB C 28 29.550 29.156 0.394 1
1 305 . 9 1 1 A 28 28 GLU N N 28 118.040 118.277 -0.237 1
1 306 . 9 1 1 A 29 29 THR H H 29 7.662 7.869 -0.207 1
1 307 . 9 1 1 A 29 29 THR HA H 29 3.739 3.931 -0.192 1
1 312 . 9 1 1 A 29 29 THR C C 29 176.344 176.269 0.075 1
1 313 . 9 1 1 A 29 29 THR CA C 29 66.756 66.957 -0.201 1
1 314 . 9 1 1 A 29 29 THR CB C 29 68.663 68.729 -0.066 1
1 316 . 9 1 1 A 29 29 THR N N 29 116.635 117.960 -1.325 1
1 317 . 9 1 1 A 30 30 ILE H H 30 7.875 7.955 -0.080 1
1 318 . 9 1 1 A 30 30 ILE HA H 30 3.159 3.423 -0.264 1
1 328 . 9 1 1 A 30 30 ILE C C 30 176.903 178.013 -1.110 1
1 329 . 9 1 1 A 30 30 ILE CA C 30 65.390 65.272 0.118 1
1 330 . 9 1 1 A 30 30 ILE CB C 30 37.356 37.613 -0.257 1
1 334 . 9 1 1 A 30 30 ILE N N 30 121.804 120.530 1.274 1
1 335 . 9 1 1 A 31 31 ARG H H 31 8.502 8.218 0.284 1
1 336 . 9 1 1 A 31 31 ARG HA H 31 3.508 3.741 -0.233 1
1 343 . 9 1 1 A 31 31 ARG C C 31 179.262 178.575 0.687 1
1 344 . 9 1 1 A 31 31 ARG CA C 31 60.462 59.692 0.770 1
1 345 . 9 1 1 A 31 31 ARG CB C 31 30.075 29.665 0.410 1
1 348 . 9 1 1 A 31 31 ARG N N 31 119.175 120.051 -0.876 1
1 349 . 9 1 1 A 32 32 LYS H H 32 7.497 7.356 0.141 1
1 350 . 9 1 1 A 32 32 LYS HA H 32 3.884 4.024 -0.140 1
1 357 . 9 1 1 A 32 32 LYS C C 32 178.207 179.456 -1.249 1
1 358 . 9 1 1 A 32 32 LYS CA C 32 59.176 59.498 -0.322 1
1 359 . 9 1 1 A 32 32 LYS CB C 32 32.020 32.130 -0.110 1
1 362 . 9 1 1 A 32 32 LYS N N 32 119.486 118.135 1.351 1
1 363 . 9 1 1 A 33 33 LYS H H 33 7.540 7.968 -0.428 1
1 366 . 9 1 1 A 33 33 LYS C C 33 179.884 178.613 1.271 1
1 367 . 9 1 1 A 33 33 LYS CB C 33 32.095 32.069 0.026 1
1 368 . 9 1 1 A 33 33 LYS N N 33 119.050 119.523 -0.473 1
1 369 . 9 1 1 A 34 34 ALA H H 34 8.208 7.955 0.253 1
1 370 . 9 1 1 A 34 34 ALA HA H 34 3.448 3.853 -0.405 1
1 374 . 9 1 1 A 34 34 ALA C C 34 179.325 178.842 0.483 1
1 375 . 9 1 1 A 34 34 ALA CA C 34 55.826 55.075 0.751 1
1 376 . 9 1 1 A 34 34 ALA CB C 34 17.665 17.965 -0.300 1
1 377 . 9 1 1 A 34 34 ALA N N 34 122.909 121.716 1.193 1
1 378 . 9 1 1 A 35 35 GLU H H 35 7.997 8.263 -0.266 1
1 379 . 9 1 1 A 35 35 GLU HA H 35 3.877 4.007 -0.130 1
1 382 . 9 1 1 A 35 35 GLU C C 35 181.002 178.202 2.800 1
1 383 . 9 1 1 A 35 35 GLU CA C 35 59.737 59.568 0.169 1
1 384 . 9 1 1 A 35 35 GLU CB C 35 29.381 28.913 0.468 1
1 385 . 9 1 1 A 35 35 GLU N N 35 119.482 118.450 1.032 1
1 386 . 9 1 1 A 36 36 ASP H H 36 8.405 8.432 -0.027 1
1 387 . 9 1 1 A 36 36 ASP HA H 36 4.279 4.407 -0.128 1
1 390 . 9 1 1 A 36 36 ASP C C 36 177.834 178.027 -0.193 1
1 391 . 9 1 1 A 36 36 ASP CA C 36 57.178 57.314 -0.136 1
1 392 . 9 1 1 A 36 36 ASP CB C 36 40.502 40.996 -0.494 1
1 393 . 9 1 1 A 36 36 ASP N N 36 120.553 120.118 0.435 1
1 394 . 9 1 1 A 37 37 SER H H 37 7.481 7.927 -0.446 1
1 395 . 9 1 1 A 37 37 SER HA H 37 4.450 4.522 -0.072 1
1 398 . 9 1 1 A 37 37 SER C C 37 174.294 174.986 -0.692 1
1 399 . 9 1 1 A 37 37 SER CA C 37 59.149 58.435 0.714 1
1 400 . 9 1 1 A 37 37 SER CB C 37 64.866 63.727 1.139 1
1 401 . 9 1 1 A 37 37 SER N N 37 112.666 112.996 -0.330 1
1 402 . 9 1 1 A 38 38 GLY H H 38 7.871 8.189 -0.318 1
1 403 . 9 1 1 A 38 38 GLY HA2 H 38 3.895 3.937 -0.042 1
1 404 . 9 1 1 A 38 38 GLY HA3 H 38 3.772 3.946 -0.174 1
1 405 . 9 1 1 A 38 38 GLY C C 38 174.108 174.197 -0.089 1
1 406 . 9 1 1 A 38 38 GLY CA C 38 46.433 45.772 0.661 1
1 407 . 9 1 1 A 38 38 GLY N N 38 110.893 109.919 0.974 1
1 408 . 9 1 1 A 39 39 LEU H H 39 7.850 7.707 0.143 1
1 409 . 9 1 1 A 39 39 LEU HA H 39 4.782 4.318 0.464 1
1 419 . 9 1 1 A 39 39 LEU C C 39 177.538 176.000 1.538 1
1 420 . 9 1 1 A 39 39 LEU CA C 39 53.141 54.228 -1.087 1
1 421 . 9 1 1 A 39 39 LEU CB C 39 47.097 42.240 4.857 1
1 425 . 9 1 1 A 39 39 LEU N N 39 119.947 123.748 -3.801 1
1 426 . 9 1 1 A 40 40 THR H H 40 7.654 8.777 -1.123 1
1 427 . 9 1 1 A 40 40 THR HA H 40 4.234 4.305 -0.071 1
1 432 . 9 1 1 A 40 40 THR C C 40 175.658 175.873 -0.215 1
1 433 . 9 1 1 A 40 40 THR CA C 40 61.188 62.550 -1.362 1
1 434 . 9 1 1 A 40 40 THR CB C 40 70.501 69.273 1.228 1
1 436 . 9 1 1 A 40 40 THR N N 40 109.345 119.654 -10.309 1
1 437 . 9 1 1 A 41 41 VAL H H 41 8.721 8.731 -0.010 1
1 438 . 9 1 1 A 41 41 VAL HA H 41 3.239 3.653 -0.414 1
1 446 . 9 1 1 A 41 41 VAL C C 41 178.021 177.437 0.584 1
1 447 . 9 1 1 A 41 41 VAL CA C 41 68.189 66.684 1.505 1
1 448 . 9 1 1 A 41 41 VAL CB C 41 31.300 31.641 -0.341 1
1 451 . 9 1 1 A 41 41 VAL N N 41 121.470 127.929 -6.459 1
1 452 . 9 1 1 A 42 42 SER H H 42 8.424 8.281 0.143 1
1 453 . 9 1 1 A 42 42 SER HA H 42 3.742 4.230 -0.488 1
1 454 . 9 1 1 A 42 42 SER C C 42 175.785 177.244 -1.459 1
1 455 . 9 1 1 A 42 42 SER CA C 42 62.514 61.531 0.983 1
1 456 . 9 1 1 A 42 42 SER N N 42 113.251 114.032 -0.781 1
1 457 . 9 1 1 A 43 43 ALA H H 43 7.494 7.424 0.070 1
1 458 . 9 1 1 A 43 43 ALA HA H 43 3.916 4.104 -0.188 1
1 462 . 9 1 1 A 43 43 ALA C C 43 179.884 179.149 0.735 1
1 463 . 9 1 1 A 43 43 ALA CA C 43 55.172 54.925 0.247 1
1 464 . 9 1 1 A 43 43 ALA CB C 43 19.490 18.468 1.022 1
1 465 . 9 1 1 A 43 43 ALA N N 43 123.328 123.955 -0.627 1
1 466 . 9 1 1 A 44 44 TYR H H 44 8.662 8.658 0.004 1
1 467 . 9 1 1 A 44 44 TYR HA H 44 3.742 4.181 -0.439 1
1 474 . 9 1 1 A 44 44 TYR C C 44 177.593 177.408 0.185 1
1 475 . 9 1 1 A 44 44 TYR CA C 44 62.514 61.396 1.118 1
1 476 . 9 1 1 A 44 44 TYR CB C 44 39.211 38.622 0.589 1
1 481 . 9 1 1 A 44 44 TYR N N 44 119.611 119.840 -0.229 1
1 482 . 9 1 1 A 45 45 ILE H H 45 8.445 8.810 -0.365 1
1 483 . 9 1 1 A 45 45 ILE HA H 45 3.138 3.709 -0.571 1
1 493 . 9 1 1 A 45 45 ILE C C 45 177.462 177.997 -0.535 1
1 494 . 9 1 1 A 45 45 ILE CA C 45 66.393 64.909 1.484 1
1 495 . 9 1 1 A 45 45 ILE CB C 45 37.810 37.898 -0.088 1
1 499 . 9 1 1 A 45 45 ILE N N 45 118.859 121.227 -2.368 1
1 500 . 9 1 1 A 46 46 ARG H H 46 8.026 8.170 -0.144 1
1 501 . 9 1 1 A 46 46 ARG HA H 46 3.635 4.045 -0.410 1
1 506 . 9 1 1 A 46 46 ARG C C 46 177.462 178.353 -0.891 1
1 507 . 9 1 1 A 46 46 ARG CA C 46 60.816 58.823 1.993 1
1 508 . 9 1 1 A 46 46 ARG CB C 46 30.287 30.064 0.223 1
1 510 . 9 1 1 A 46 46 ARG N N 46 117.983 120.702 -2.719 1
1 511 . 9 1 1 A 47 47 ASN H H 47 8.026 8.687 -0.661 1
1 512 . 9 1 1 A 47 47 ASN HA H 47 4.078 4.341 -0.263 1
1 517 . 9 1 1 A 47 47 ASN C C 47 177.648 177.187 0.461 1
1 518 . 9 1 1 A 47 47 ASN CA C 47 56.329 56.797 -0.468 1
1 519 . 9 1 1 A 47 47 ASN CB C 47 38.112 39.466 -1.354 1
1 520 . 9 1 1 A 47 47 ASN N N 47 115.323 117.998 -2.675 1
1 522 . 9 1 1 A 48 48 ALA H H 48 7.809 8.149 -0.340 1
1 523 . 9 1 1 A 48 48 ALA HA H 48 3.792 3.902 -0.110 1
1 527 . 9 1 1 A 48 48 ALA C C 48 179.325 179.933 -0.608 1
1 528 . 9 1 1 A 48 48 ALA CA C 48 54.393 54.697 -0.304 1
1 529 . 9 1 1 A 48 48 ALA CB C 48 16.905 17.941 -1.036 1
1 530 . 9 1 1 A 48 48 ALA N N 48 121.450 121.307 0.143 1
1 531 . 9 1 1 A 49 49 ALA H H 49 7.863 7.854 0.009 1
1 532 . 9 1 1 A 49 49 ALA HA H 49 3.821 4.077 -0.256 1
1 536 . 9 1 1 A 49 49 ALA C C 49 178.503 180.147 -1.644 1
1 537 . 9 1 1 A 49 49 ALA CA C 49 54.016 54.978 -0.962 1
1 538 . 9 1 1 A 49 49 ALA CB C 49 19.693 18.516 1.177 1
1 539 . 9 1 1 A 49 49 ALA N N 49 117.188 120.640 -3.452 1
1 540 . 9 1 1 A 50 50 LEU H H 50 7.610 7.924 -0.314 1
1 541 . 9 1 1 A 50 50 LEU HA H 50 4.062 4.172 -0.110 1
1 551 . 9 1 1 A 50 50 LEU C C 50 176.716 177.633 -0.917 1
1 552 . 9 1 1 A 50 50 LEU CA C 50 55.766 57.020 -1.254 1
1 553 . 9 1 1 A 50 50 LEU CB C 50 43.320 42.718 0.602 1
1 557 . 9 1 1 A 50 50 LEU N N 50 116.113 119.102 -2.989 1
1 6 . 10 1 1 A 2 2 ASP HA H 2 4.569 4.966 -0.397 1
1 9 . 10 1 1 A 2 2 ASP C C 2 176.530 175.234 1.296 1
1 10 . 10 1 1 A 2 2 ASP CA C 2 54.589 52.933 1.656 1
1 11 . 10 1 1 A 2 2 ASP CB C 2 41.462 41.424 0.038 1
1 12 . 10 1 1 A 3 3 SER H H 3 8.267 8.587 -0.320 1
1 13 . 10 1 1 A 3 3 SER HA H 3 4.276 4.818 -0.542 1
1 16 . 10 1 1 A 3 3 SER C C 3 174.667 174.859 -0.192 1
1 17 . 10 1 1 A 3 3 SER CA C 3 58.605 57.478 1.127 1
1 18 . 10 1 1 A 3 3 SER CB C 3 63.763 64.586 -0.823 1
1 19 . 10 1 1 A 3 3 SER N N 3 116.529 112.861 3.668 1
1 20 . 10 1 1 A 4 4 ALA H H 4 8.196 8.495 -0.299 1
1 21 . 10 1 1 A 4 4 ALA HA H 4 4.179 4.097 0.082 1
1 25 . 10 1 1 A 4 4 ALA C C 4 178.021 179.439 -1.418 1
1 26 . 10 1 1 A 4 4 ALA CA C 4 52.977 54.352 -1.375 1
1 27 . 10 1 1 A 4 4 ALA CB C 4 19.202 18.629 0.573 1
1 28 . 10 1 1 A 4 4 ALA N N 4 125.751 124.606 1.145 1
1 29 . 10 1 1 A 5 5 VAL H H 5 7.811 7.787 0.024 1
1 30 . 10 1 1 A 5 5 VAL HA H 5 3.912 3.796 0.116 1
1 38 . 10 1 1 A 5 5 VAL C C 5 176.344 177.560 -1.216 1
1 39 . 10 1 1 A 5 5 VAL CA C 5 62.506 65.113 -2.607 1
1 40 . 10 1 1 A 5 5 VAL CB C 5 32.588 31.206 1.382 1
1 43 . 10 1 1 A 5 5 VAL N N 5 118.872 117.418 1.454 1
1 44 . 10 1 1 A 6 6 ARG H H 6 8.146 8.163 -0.017 1
1 45 . 10 1 1 A 6 6 ARG HA H 6 4.195 4.211 -0.016 1
1 50 . 10 1 1 A 6 6 ARG C C 6 176.344 175.495 0.849 1
1 51 . 10 1 1 A 6 6 ARG CA C 6 56.173 57.778 -1.605 1
1 52 . 10 1 1 A 6 6 ARG CB C 6 30.859 29.560 1.299 1
1 54 . 10 1 1 A 6 6 ARG N N 6 124.824 118.698 6.126 1
1 55 . 10 1 1 A 7 7 LYS H H 7 8.207 7.468 0.739 1
1 56 . 10 1 1 A 7 7 LYS C C 7 176.792 175.920 0.872 1
1 57 . 10 1 1 A 7 7 LYS N N 7 123.109 116.297 6.812 1
1 58 . 10 1 1 A 8 8 LYS H H 8 8.258 8.726 -0.468 1
1 59 . 10 1 1 A 8 8 LYS C C 8 176.903 176.068 0.835 1
1 60 . 10 1 1 A 8 8 LYS N N 8 122.855 121.367 1.488 1
1 61 . 10 1 1 A 9 9 SER H H 9 8.197 7.748 0.449 1
1 62 . 10 1 1 A 9 9 SER HA H 9 4.243 5.006 -0.763 1
1 65 . 10 1 1 A 9 9 SER C C 9 174.667 172.262 2.405 1
1 66 . 10 1 1 A 9 9 SER CA C 9 58.831 57.391 1.440 1
1 67 . 10 1 1 A 9 9 SER CB C 9 63.763 66.341 -2.578 1
1 68 . 10 1 1 A 9 9 SER N N 9 116.772 112.923 3.849 1
1 69 . 10 1 1 A 10 10 GLU H H 10 8.280 8.445 -0.165 1
1 70 . 10 1 1 A 10 10 GLU HA H 10 4.201 5.113 -0.912 1
1 73 . 10 1 1 A 10 10 GLU C C 10 176.530 174.046 2.484 1
1 74 . 10 1 1 A 10 10 GLU CA C 10 56.610 54.605 2.005 1
1 75 . 10 1 1 A 10 10 GLU CB C 10 30.511 33.851 -3.340 1
1 76 . 10 1 1 A 10 10 GLU N N 10 123.218 119.533 3.685 1
1 77 . 10 1 1 A 11 11 VAL H H 11 8.032 8.685 -0.653 1
1 78 . 10 1 1 A 11 11 VAL HA H 11 3.888 4.992 -1.104 1
1 86 . 10 1 1 A 11 11 VAL C C 11 176.344 174.750 1.594 1
1 87 . 10 1 1 A 11 11 VAL CA C 11 62.778 60.708 2.070 1
1 88 . 10 1 1 A 11 11 VAL CB C 11 32.229 33.351 -1.122 1
1 91 . 10 1 1 A 11 11 VAL N N 11 121.505 118.431 3.074 1
1 92 . 10 1 1 A 12 12 ARG H H 12 8.269 8.826 -0.557 1
1 93 . 10 1 1 A 12 12 ARG HA H 12 4.195 5.094 -0.899 1
1 98 . 10 1 1 A 12 12 ARG C C 12 176.344 173.948 2.396 1
1 99 . 10 1 1 A 12 12 ARG CA C 12 56.173 54.846 1.327 1
1 100 . 10 1 1 A 12 12 ARG CB C 12 30.859 34.083 -3.224 1
1 102 . 10 1 1 A 12 12 ARG N N 12 124.717 125.193 -0.476 1
1 103 . 10 1 1 A 13 13 GLN H H 13 8.246 8.851 -0.605 1
1 104 . 10 1 1 A 13 13 GLN HA H 13 4.208 4.649 -0.441 1
1 111 . 10 1 1 A 13 13 GLN C C 13 175.971 176.462 -0.491 1
1 112 . 10 1 1 A 13 13 GLN CA C 13 55.916 53.935 1.981 1
1 113 . 10 1 1 A 13 13 GLN CB C 13 29.864 28.105 1.759 1
1 115 . 10 1 1 A 13 13 GLN N N 13 121.386 123.065 -1.679 1
1 117 . 10 1 1 A 14 14 LYS H H 14 8.276 8.339 -0.063 1
1 118 . 10 1 1 A 14 14 LYS HA H 14 4.149 4.064 0.085 1
1 127 . 10 1 1 A 14 14 LYS C C 14 175.971 176.474 -0.503 1
1 128 . 10 1 1 A 14 14 LYS CA C 14 56.518 58.577 -2.059 1
1 129 . 10 1 1 A 14 14 LYS CB C 14 33.073 32.225 0.848 1
1 133 . 10 1 1 A 14 14 LYS N N 14 123.021 122.677 0.344 1
1 134 . 10 1 1 A 15 15 THR H H 15 7.720 7.605 0.115 1
1 135 . 10 1 1 A 15 15 THR HA H 15 4.225 4.367 -0.142 1
1 140 . 10 1 1 A 15 15 THR C C 15 173.801 173.620 0.181 1
1 141 . 10 1 1 A 15 15 THR CA C 15 62.211 61.846 0.365 1
1 142 . 10 1 1 A 15 15 THR CB C 15 70.979 70.147 0.832 1
1 144 . 10 1 1 A 15 15 THR N N 15 114.171 115.861 -1.690 1
1 145 . 10 1 1 A 16 16 VAL H H 16 9.143 8.557 0.586 1
1 146 . 10 1 1 A 16 16 VAL HA H 16 4.004 4.424 -0.420 1
1 154 . 10 1 1 A 16 16 VAL C C 16 174.853 174.641 0.212 1
1 155 . 10 1 1 A 16 16 VAL CA C 16 62.452 61.454 0.998 1
1 156 . 10 1 1 A 16 16 VAL CB C 16 33.361 31.497 1.864 1
1 159 . 10 1 1 A 16 16 VAL N N 16 126.087 125.841 0.246 1
1 160 . 10 1 1 A 17 17 VAL H H 17 8.364 8.767 -0.403 1
1 161 . 10 1 1 A 17 17 VAL HA H 17 4.653 4.652 0.001 1
1 169 . 10 1 1 A 17 17 VAL C C 17 176.716 175.012 1.704 1
1 170 . 10 1 1 A 17 17 VAL CA C 17 61.419 61.575 -0.156 1
1 171 . 10 1 1 A 17 17 VAL CB C 17 33.022 32.302 0.720 1
1 174 . 10 1 1 A 17 17 VAL N N 17 127.119 128.498 -1.379 1
1 175 . 10 1 1 A 18 18 ARG H H 18 9.038 8.426 0.612 1
1 176 . 10 1 1 A 18 18 ARG HA H 18 4.669 4.742 -0.073 1
1 181 . 10 1 1 A 18 18 ARG C C 18 174.480 174.241 0.239 1
1 182 . 10 1 1 A 18 18 ARG CA C 18 54.148 55.335 -1.187 1
1 183 . 10 1 1 A 18 18 ARG CB C 18 33.202 34.286 -1.084 1
1 185 . 10 1 1 A 18 18 ARG N N 18 126.432 129.485 -3.053 1
1 186 . 10 1 1 A 19 19 THR H H 19 8.536 8.590 -0.054 1
1 187 . 10 1 1 A 19 19 THR HA H 19 4.727 5.040 -0.313 1
1 192 . 10 1 1 A 19 19 THR C C 19 173.644 173.015 0.629 1
1 193 . 10 1 1 A 19 19 THR CA C 19 62.000 62.084 -0.084 1
1 194 . 10 1 1 A 19 19 THR CB C 19 69.919 70.402 -0.483 1
1 196 . 10 1 1 A 19 19 THR N N 19 118.670 117.520 1.150 1
1 197 . 10 1 1 A 20 20 LEU H H 20 8.972 8.963 0.009 1
1 198 . 10 1 1 A 20 20 LEU HA H 20 4.430 4.938 -0.508 1
1 208 . 10 1 1 A 20 20 LEU C C 20 174.294 174.852 -0.558 1
1 209 . 10 1 1 A 20 20 LEU CA C 20 52.892 53.759 -0.867 1
1 210 . 10 1 1 A 20 20 LEU CB C 20 45.825 46.047 -0.222 1
1 214 . 10 1 1 A 20 20 LEU N N 20 128.320 128.420 -0.100 1
1 215 . 10 1 1 A 21 21 ARG H H 21 7.938 8.680 -0.742 1
1 216 . 10 1 1 A 21 21 ARG HA H 21 4.945 5.032 -0.087 1
1 223 . 10 1 1 A 21 21 ARG C C 21 175.333 175.059 0.274 1
1 224 . 10 1 1 A 21 21 ARG CA C 21 54.721 54.376 0.345 1
1 225 . 10 1 1 A 21 21 ARG CB C 21 32.512 33.157 -0.645 1
1 228 . 10 1 1 A 21 21 ARG N N 21 119.462 126.322 -6.860 1
1 229 . 10 1 1 A 22 22 PHE H H 22 9.021 9.061 -0.040 1
1 230 . 10 1 1 A 22 22 PHE HA H 22 4.777 5.289 -0.512 1
1 238 . 10 1 1 A 22 22 PHE C C 22 175.039 174.376 0.663 1
1 239 . 10 1 1 A 22 22 PHE CA C 22 56.549 56.320 0.229 1
1 240 . 10 1 1 A 22 22 PHE CB C 22 43.356 44.057 -0.701 1
1 246 . 10 1 1 A 22 22 PHE N N 22 120.286 120.173 0.113 1
1 247 . 10 1 1 A 23 23 SER H H 23 9.411 8.825 0.586 1
1 248 . 10 1 1 A 23 23 SER HA H 23 4.937 4.894 0.043 1
1 249 . 10 1 1 A 23 23 SER C C 23 177.544 174.725 2.819 1
1 250 . 10 1 1 A 23 23 SER CA C 23 56.727 55.890 0.837 1
1 251 . 10 1 1 A 23 23 SER N N 23 119.420 116.090 3.330 1
1 252 . 10 1 1 A 24 24 PRO HA H 24 4.095 4.278 -0.183 1
1 259 . 10 1 1 A 24 24 PRO C C 24 179.325 178.891 0.434 1
1 260 . 10 1 1 A 24 24 PRO CA C 24 66.570 65.719 0.851 1
1 261 . 10 1 1 A 24 24 PRO CB C 24 31.862 31.654 0.208 1
1 264 . 10 1 1 A 25 25 VAL H H 25 7.563 7.584 -0.021 1
1 265 . 10 1 1 A 25 25 VAL HA H 25 3.779 3.772 0.007 1
1 273 . 10 1 1 A 25 25 VAL C C 25 178.846 177.862 0.984 1
1 274 . 10 1 1 A 25 25 VAL CA C 25 65.693 65.791 -0.098 1
1 275 . 10 1 1 A 25 25 VAL CB C 25 32.040 31.117 0.923 1
1 278 . 10 1 1 A 25 25 VAL N N 25 116.405 115.776 0.629 1
1 279 . 10 1 1 A 26 26 GLU H H 26 7.512 8.218 -0.706 1
1 280 . 10 1 1 A 26 26 GLU HA H 26 3.838 4.031 -0.193 1
1 285 . 10 1 1 A 26 26 GLU C C 26 178.766 178.940 -0.174 1
1 286 . 10 1 1 A 26 26 GLU CA C 26 58.902 59.826 -0.924 1
1 287 . 10 1 1 A 26 26 GLU CB C 26 30.798 29.535 1.263 1
1 289 . 10 1 1 A 26 26 GLU N N 26 122.557 119.032 3.525 1
1 290 . 10 1 1 A 27 27 ASP H H 27 8.669 8.649 0.020 1
1 291 . 10 1 1 A 27 27 ASP HA H 27 3.900 4.207 -0.307 1
1 294 . 10 1 1 A 27 27 ASP C C 27 177.586 178.417 -0.831 1
1 295 . 10 1 1 A 27 27 ASP CA C 27 57.954 57.636 0.318 1
1 296 . 10 1 1 A 27 27 ASP CB C 27 43.617 41.686 1.931 1
1 297 . 10 1 1 A 27 27 ASP N N 27 118.012 120.077 -2.065 1
1 298 . 10 1 1 A 28 28 GLU H H 28 7.875 8.346 -0.471 1
1 299 . 10 1 1 A 28 28 GLU HA H 28 3.738 3.989 -0.251 1
1 302 . 10 1 1 A 28 28 GLU C C 28 178.837 178.869 -0.032 1
1 303 . 10 1 1 A 28 28 GLU CA C 28 59.710 59.210 0.500 1
1 304 . 10 1 1 A 28 28 GLU CB C 28 29.550 29.687 -0.137 1
1 305 . 10 1 1 A 28 28 GLU N N 28 118.040 119.057 -1.017 1
1 306 . 10 1 1 A 29 29 THR H H 29 7.662 8.233 -0.571 1
1 307 . 10 1 1 A 29 29 THR HA H 29 3.739 3.919 -0.180 1
1 312 . 10 1 1 A 29 29 THR C C 29 176.344 176.314 0.030 1
1 313 . 10 1 1 A 29 29 THR CA C 29 66.756 67.257 -0.501 1
1 314 . 10 1 1 A 29 29 THR CB C 29 68.663 68.837 -0.174 1
1 316 . 10 1 1 A 29 29 THR N N 29 116.635 116.190 0.445 1
1 317 . 10 1 1 A 30 30 ILE H H 30 7.875 8.038 -0.163 1
1 318 . 10 1 1 A 30 30 ILE HA H 30 3.159 3.477 -0.318 1
1 328 . 10 1 1 A 30 30 ILE C C 30 176.903 177.835 -0.932 1
1 329 . 10 1 1 A 30 30 ILE CA C 30 65.390 65.170 0.220 1
1 330 . 10 1 1 A 30 30 ILE CB C 30 37.356 37.646 -0.290 1
1 334 . 10 1 1 A 30 30 ILE N N 30 121.804 120.922 0.882 1
1 335 . 10 1 1 A 31 31 ARG H H 31 8.502 8.220 0.282 1
1 336 . 10 1 1 A 31 31 ARG HA H 31 3.508 3.817 -0.309 1
1 343 . 10 1 1 A 31 31 ARG C C 31 179.262 178.619 0.643 1
1 344 . 10 1 1 A 31 31 ARG CA C 31 60.462 59.829 0.633 1
1 345 . 10 1 1 A 31 31 ARG CB C 31 30.075 29.822 0.253 1
1 348 . 10 1 1 A 31 31 ARG N N 31 119.175 120.174 -0.999 1
1 349 . 10 1 1 A 32 32 LYS H H 32 7.497 8.100 -0.603 1
1 350 . 10 1 1 A 32 32 LYS HA H 32 3.884 4.021 -0.137 1
1 357 . 10 1 1 A 32 32 LYS C C 32 178.207 179.268 -1.061 1
1 358 . 10 1 1 A 32 32 LYS CA C 32 59.176 59.424 -0.248 1
1 359 . 10 1 1 A 32 32 LYS CB C 32 32.020 32.169 -0.149 1
1 362 . 10 1 1 A 32 32 LYS N N 32 119.486 117.869 1.617 1
1 363 . 10 1 1 A 33 33 LYS H H 33 7.540 7.899 -0.359 1
1 366 . 10 1 1 A 33 33 LYS C C 33 179.884 178.596 1.288 1
1 367 . 10 1 1 A 33 33 LYS CB C 33 32.095 32.232 -0.137 1
1 368 . 10 1 1 A 33 33 LYS N N 33 119.050 119.254 -0.204 1
1 369 . 10 1 1 A 34 34 ALA H H 34 8.208 7.960 0.248 1
1 370 . 10 1 1 A 34 34 ALA HA H 34 3.448 3.757 -0.309 1
1 374 . 10 1 1 A 34 34 ALA C C 34 179.325 178.657 0.668 1
1 375 . 10 1 1 A 34 34 ALA CA C 34 55.826 55.053 0.773 1
1 376 . 10 1 1 A 34 34 ALA CB C 34 17.665 18.160 -0.495 1
1 377 . 10 1 1 A 34 34 ALA N N 34 122.909 121.723 1.186 1
1 378 . 10 1 1 A 35 35 GLU H H 35 7.997 8.230 -0.233 1
1 379 . 10 1 1 A 35 35 GLU HA H 35 3.877 4.096 -0.219 1
1 382 . 10 1 1 A 35 35 GLU C C 35 181.002 178.102 2.900 1
1 383 . 10 1 1 A 35 35 GLU CA C 35 59.737 58.785 0.952 1
1 384 . 10 1 1 A 35 35 GLU CB C 35 29.381 29.073 0.308 1
1 385 . 10 1 1 A 35 35 GLU N N 35 119.482 118.369 1.113 1
1 386 . 10 1 1 A 36 36 ASP H H 36 8.405 8.305 0.100 1
1 387 . 10 1 1 A 36 36 ASP HA H 36 4.279 4.363 -0.084 1
1 390 . 10 1 1 A 36 36 ASP C C 36 177.834 178.392 -0.558 1
1 391 . 10 1 1 A 36 36 ASP CA C 36 57.178 57.565 -0.387 1
1 392 . 10 1 1 A 36 36 ASP CB C 36 40.502 40.844 -0.342 1
1 393 . 10 1 1 A 36 36 ASP N N 36 120.553 120.255 0.298 1
1 394 . 10 1 1 A 37 37 SER H H 37 7.481 8.170 -0.689 1
1 395 . 10 1 1 A 37 37 SER HA H 37 4.450 4.424 0.026 1
1 398 . 10 1 1 A 37 37 SER C C 37 174.294 174.718 -0.424 1
1 399 . 10 1 1 A 37 37 SER CA C 37 59.149 59.233 -0.084 1
1 400 . 10 1 1 A 37 37 SER CB C 37 64.866 63.872 0.994 1
1 401 . 10 1 1 A 37 37 SER N N 37 112.666 112.779 -0.113 1
1 402 . 10 1 1 A 38 38 GLY H H 38 7.871 8.768 -0.897 1
1 403 . 10 1 1 A 38 38 GLY HA2 H 38 3.895 3.935 -0.040 1
1 404 . 10 1 1 A 38 38 GLY HA3 H 38 3.772 3.945 -0.173 1
1 405 . 10 1 1 A 38 38 GLY C C 38 174.108 174.005 0.103 1
1 406 . 10 1 1 A 38 38 GLY CA C 38 46.433 46.202 0.231 1
1 407 . 10 1 1 A 38 38 GLY N N 38 110.893 108.939 1.954 1
1 408 . 10 1 1 A 39 39 LEU H H 39 7.850 7.900 -0.050 1
1 409 . 10 1 1 A 39 39 LEU HA H 39 4.782 4.900 -0.118 1
1 419 . 10 1 1 A 39 39 LEU C C 39 177.538 174.934 2.604 1
1 420 . 10 1 1 A 39 39 LEU CA C 39 53.141 52.812 0.329 1
1 421 . 10 1 1 A 39 39 LEU CB C 39 47.097 46.149 0.948 1
1 425 . 10 1 1 A 39 39 LEU N N 39 119.947 119.769 0.178 1
1 426 . 10 1 1 A 40 40 THR H H 40 7.654 8.449 -0.795 1
1 427 . 10 1 1 A 40 40 THR HA H 40 4.234 4.525 -0.291 1
1 432 . 10 1 1 A 40 40 THR C C 40 175.658 175.789 -0.131 1
1 433 . 10 1 1 A 40 40 THR CA C 40 61.188 61.681 -0.493 1
1 434 . 10 1 1 A 40 40 THR CB C 40 70.501 69.593 0.908 1
1 436 . 10 1 1 A 40 40 THR N N 40 109.345 116.542 -7.197 1
1 437 . 10 1 1 A 41 41 VAL H H 41 8.721 8.802 -0.081 1
1 438 . 10 1 1 A 41 41 VAL HA H 41 3.239 3.670 -0.431 1
1 446 . 10 1 1 A 41 41 VAL C C 41 178.021 177.418 0.603 1
1 447 . 10 1 1 A 41 41 VAL CA C 41 68.189 66.668 1.521 1
1 448 . 10 1 1 A 41 41 VAL CB C 41 31.300 31.633 -0.333 1
1 451 . 10 1 1 A 41 41 VAL N N 41 121.470 128.069 -6.599 1
1 452 . 10 1 1 A 42 42 SER H H 42 8.424 8.212 0.212 1
1 453 . 10 1 1 A 42 42 SER HA H 42 3.742 4.151 -0.409 1
1 454 . 10 1 1 A 42 42 SER C C 42 175.785 176.956 -1.171 1
1 455 . 10 1 1 A 42 42 SER CA C 42 62.514 61.142 1.372 1
1 456 . 10 1 1 A 42 42 SER N N 42 113.251 114.124 -0.873 1
1 457 . 10 1 1 A 43 43 ALA H H 43 7.494 7.827 -0.333 1
1 458 . 10 1 1 A 43 43 ALA HA H 43 3.916 4.061 -0.145 1
1 462 . 10 1 1 A 43 43 ALA C C 43 179.884 179.001 0.883 1
1 463 . 10 1 1 A 43 43 ALA CA C 43 55.172 54.958 0.214 1
1 464 . 10 1 1 A 43 43 ALA CB C 43 19.490 18.647 0.843 1
1 465 . 10 1 1 A 43 43 ALA N N 43 123.328 122.977 0.351 1
1 466 . 10 1 1 A 44 44 TYR H H 44 8.662 8.556 0.106 1
1 467 . 10 1 1 A 44 44 TYR HA H 44 3.742 4.145 -0.403 1
1 474 . 10 1 1 A 44 44 TYR C C 44 177.593 177.460 0.133 1
1 475 . 10 1 1 A 44 44 TYR CA C 44 62.514 61.568 0.946 1
1 476 . 10 1 1 A 44 44 TYR CB C 44 39.211 38.696 0.515 1
1 481 . 10 1 1 A 44 44 TYR N N 44 119.611 119.612 -0.001 1
1 482 . 10 1 1 A 45 45 ILE H H 45 8.445 8.756 -0.311 1
1 483 . 10 1 1 A 45 45 ILE HA H 45 3.138 3.669 -0.531 1
1 493 . 10 1 1 A 45 45 ILE C C 45 177.462 177.903 -0.441 1
1 494 . 10 1 1 A 45 45 ILE CA C 45 66.393 64.821 1.572 1
1 495 . 10 1 1 A 45 45 ILE CB C 45 37.810 37.829 -0.019 1
1 499 . 10 1 1 A 45 45 ILE N N 45 118.859 121.054 -2.195 1
1 500 . 10 1 1 A 46 46 ARG H H 46 8.026 8.140 -0.114 1
1 501 . 10 1 1 A 46 46 ARG HA H 46 3.635 4.039 -0.404 1
1 506 . 10 1 1 A 46 46 ARG C C 46 177.462 178.397 -0.935 1
1 507 . 10 1 1 A 46 46 ARG CA C 46 60.816 58.875 1.941 1
1 508 . 10 1 1 A 46 46 ARG CB C 46 30.287 30.296 -0.009 1
1 510 . 10 1 1 A 46 46 ARG N N 46 117.983 120.787 -2.804 1
1 511 . 10 1 1 A 47 47 ASN H H 47 8.026 8.351 -0.325 1
1 512 . 10 1 1 A 47 47 ASN HA H 47 4.078 4.432 -0.354 1
1 517 . 10 1 1 A 47 47 ASN C C 47 177.648 177.221 0.427 1
1 518 . 10 1 1 A 47 47 ASN CA C 47 56.329 56.602 -0.273 1
1 519 . 10 1 1 A 47 47 ASN CB C 47 38.112 38.547 -0.435 1
1 520 . 10 1 1 A 47 47 ASN N N 47 115.323 118.150 -2.827 1
1 522 . 10 1 1 A 48 48 ALA H H 48 7.809 8.169 -0.360 1
1 523 . 10 1 1 A 48 48 ALA HA H 48 3.792 3.907 -0.115 1
1 527 . 10 1 1 A 48 48 ALA C C 48 179.325 180.298 -0.973 1
1 528 . 10 1 1 A 48 48 ALA CA C 48 54.393 54.723 -0.330 1
1 529 . 10 1 1 A 48 48 ALA CB C 48 16.905 18.054 -1.149 1
1 530 . 10 1 1 A 48 48 ALA N N 48 121.450 121.228 0.222 1
1 531 . 10 1 1 A 49 49 ALA H H 49 7.863 7.922 -0.059 1
1 532 . 10 1 1 A 49 49 ALA HA H 49 3.821 4.113 -0.292 1
1 536 . 10 1 1 A 49 49 ALA C C 49 178.503 178.341 0.162 1
1 537 . 10 1 1 A 49 49 ALA CA C 49 54.016 54.180 -0.164 1
1 538 . 10 1 1 A 49 49 ALA CB C 49 19.693 18.320 1.373 1
1 539 . 10 1 1 A 49 49 ALA N N 49 117.188 120.309 -3.121 1
1 540 . 10 1 1 A 50 50 LEU H H 50 7.610 7.292 0.318 1
1 541 . 10 1 1 A 50 50 LEU HA H 50 4.062 4.220 -0.158 1
1 551 . 10 1 1 A 50 50 LEU C C 50 176.716 178.183 -1.467 1
1 552 . 10 1 1 A 50 50 LEU CA C 50 55.766 56.439 -0.673 1
1 553 . 10 1 1 A 50 50 LEU CB C 50 43.320 43.101 0.219 1
1 557 . 10 1 1 A 50 50 LEU N N 50 116.113 115.028 1.085 1
1 6 . 11 1 1 A 2 2 ASP HA H 2 4.569 4.791 -0.222 1
1 9 . 11 1 1 A 2 2 ASP C C 2 176.530 174.751 1.779 1
1 10 . 11 1 1 A 2 2 ASP CA C 2 54.589 53.636 0.953 1
1 11 . 11 1 1 A 2 2 ASP CB C 2 41.462 42.396 -0.934 1
1 12 . 11 1 1 A 3 3 SER H H 3 8.267 8.512 -0.245 1
1 13 . 11 1 1 A 3 3 SER HA H 3 4.276 4.877 -0.601 1
1 16 . 11 1 1 A 3 3 SER C C 3 174.667 172.711 1.956 1
1 17 . 11 1 1 A 3 3 SER CA C 3 58.605 57.525 1.080 1
1 18 . 11 1 1 A 3 3 SER CB C 3 63.763 67.157 -3.394 1
1 19 . 11 1 1 A 3 3 SER N N 3 116.529 113.299 3.230 1
1 20 . 11 1 1 A 4 4 ALA H H 4 8.196 8.467 -0.271 1
1 21 . 11 1 1 A 4 4 ALA HA H 4 4.179 4.301 -0.122 1
1 25 . 11 1 1 A 4 4 ALA C C 4 178.021 178.661 -0.640 1
1 26 . 11 1 1 A 4 4 ALA CA C 4 52.977 52.640 0.337 1
1 27 . 11 1 1 A 4 4 ALA CB C 4 19.202 19.228 -0.026 1
1 28 . 11 1 1 A 4 4 ALA N N 4 125.751 124.999 0.752 1
1 29 . 11 1 1 A 5 5 VAL H H 5 7.811 8.676 -0.865 1
1 30 . 11 1 1 A 5 5 VAL HA H 5 3.912 3.905 0.007 1
1 38 . 11 1 1 A 5 5 VAL C C 5 176.344 175.959 0.385 1
1 39 . 11 1 1 A 5 5 VAL CA C 5 62.506 64.766 -2.260 1
1 40 . 11 1 1 A 5 5 VAL CB C 5 32.588 32.214 0.374 1
1 43 . 11 1 1 A 5 5 VAL N N 5 118.872 126.142 -7.270 1
1 44 . 11 1 1 A 6 6 ARG H H 6 8.146 8.092 0.054 1
1 45 . 11 1 1 A 6 6 ARG HA H 6 4.195 4.022 0.173 1
1 50 . 11 1 1 A 6 6 ARG C C 6 176.344 176.025 0.319 1
1 51 . 11 1 1 A 6 6 ARG CA C 6 56.173 56.888 -0.715 1
1 52 . 11 1 1 A 6 6 ARG CB C 6 30.859 27.970 2.889 1
1 54 . 11 1 1 A 6 6 ARG N N 6 124.824 119.345 5.479 1
1 55 . 11 1 1 A 7 7 LYS H H 7 8.207 7.985 0.222 1
1 56 . 11 1 1 A 7 7 LYS C C 7 176.792 177.220 -0.428 1
1 57 . 11 1 1 A 7 7 LYS N N 7 123.109 120.689 2.420 1
1 58 . 11 1 1 A 8 8 LYS H H 8 8.258 7.683 0.575 1
1 59 . 11 1 1 A 8 8 LYS C C 8 176.903 177.339 -0.436 1
1 60 . 11 1 1 A 8 8 LYS N N 8 122.855 118.178 4.677 1
1 61 . 11 1 1 A 9 9 SER H H 9 8.197 8.291 -0.094 1
1 62 . 11 1 1 A 9 9 SER HA H 9 4.243 4.311 -0.068 1
1 65 . 11 1 1 A 9 9 SER C C 9 174.667 174.929 -0.262 1
1 66 . 11 1 1 A 9 9 SER CA C 9 58.831 59.900 -1.069 1
1 67 . 11 1 1 A 9 9 SER CB C 9 63.763 61.284 2.479 1
1 68 . 11 1 1 A 9 9 SER N N 9 116.772 114.945 1.827 1
1 69 . 11 1 1 A 10 10 GLU H H 10 8.280 8.363 -0.083 1
1 70 . 11 1 1 A 10 10 GLU HA H 10 4.201 4.270 -0.069 1
1 73 . 11 1 1 A 10 10 GLU C C 10 176.530 177.021 -0.491 1
1 74 . 11 1 1 A 10 10 GLU CA C 10 56.610 57.925 -1.315 1
1 75 . 11 1 1 A 10 10 GLU CB C 10 30.511 28.498 2.013 1
1 76 . 11 1 1 A 10 10 GLU N N 10 123.218 121.002 2.216 1
1 77 . 11 1 1 A 11 11 VAL H H 11 8.032 7.411 0.621 1
1 78 . 11 1 1 A 11 11 VAL HA H 11 3.888 4.430 -0.542 1
1 86 . 11 1 1 A 11 11 VAL C C 11 176.344 174.773 1.571 1
1 87 . 11 1 1 A 11 11 VAL CA C 11 62.778 60.892 1.886 1
1 88 . 11 1 1 A 11 11 VAL CB C 11 32.229 31.657 0.572 1
1 91 . 11 1 1 A 11 11 VAL N N 11 121.505 114.202 7.303 1
1 92 . 11 1 1 A 12 12 ARG H H 12 8.269 7.121 1.148 1
1 93 . 11 1 1 A 12 12 ARG HA H 12 4.195 4.692 -0.497 1
1 98 . 11 1 1 A 12 12 ARG C C 12 176.344 174.330 2.014 1
1 99 . 11 1 1 A 12 12 ARG CA C 12 56.173 55.371 0.802 1
1 100 . 11 1 1 A 12 12 ARG CB C 12 30.859 31.933 -1.074 1
1 102 . 11 1 1 A 12 12 ARG N N 12 124.717 123.396 1.321 1
1 103 . 11 1 1 A 13 13 GLN H H 13 8.246 8.652 -0.406 1
1 104 . 11 1 1 A 13 13 GLN HA H 13 4.208 4.402 -0.194 1
1 111 . 11 1 1 A 13 13 GLN C C 13 175.971 176.812 -0.841 1
1 112 . 11 1 1 A 13 13 GLN CA C 13 55.916 55.725 0.191 1
1 113 . 11 1 1 A 13 13 GLN CB C 13 29.864 27.761 2.103 1
1 115 . 11 1 1 A 13 13 GLN N N 13 121.386 124.909 -3.523 1
1 117 . 11 1 1 A 14 14 LYS H H 14 8.276 8.055 0.221 1
1 118 . 11 1 1 A 14 14 LYS HA H 14 4.149 4.093 0.056 1
1 127 . 11 1 1 A 14 14 LYS C C 14 175.971 176.561 -0.590 1
1 128 . 11 1 1 A 14 14 LYS CA C 14 56.518 58.665 -2.147 1
1 129 . 11 1 1 A 14 14 LYS CB C 14 33.073 31.847 1.226 1
1 133 . 11 1 1 A 14 14 LYS N N 14 123.021 120.810 2.211 1
1 134 . 11 1 1 A 15 15 THR H H 15 7.720 7.536 0.184 1
1 135 . 11 1 1 A 15 15 THR HA H 15 4.225 4.367 -0.142 1
1 140 . 11 1 1 A 15 15 THR C C 15 173.801 173.608 0.193 1
1 141 . 11 1 1 A 15 15 THR CA C 15 62.211 61.126 1.085 1
1 142 . 11 1 1 A 15 15 THR CB C 15 70.979 70.195 0.784 1
1 144 . 11 1 1 A 15 15 THR N N 15 114.171 115.888 -1.717 1
1 145 . 11 1 1 A 16 16 VAL H H 16 9.143 8.515 0.628 1
1 146 . 11 1 1 A 16 16 VAL HA H 16 4.004 4.876 -0.872 1
1 154 . 11 1 1 A 16 16 VAL C C 16 174.853 174.271 0.582 1
1 155 . 11 1 1 A 16 16 VAL CA C 16 62.452 60.733 1.719 1
1 156 . 11 1 1 A 16 16 VAL CB C 16 33.361 35.982 -2.621 1
1 159 . 11 1 1 A 16 16 VAL N N 16 126.087 121.635 4.452 1
1 160 . 11 1 1 A 17 17 VAL H H 17 8.364 8.831 -0.467 1
1 161 . 11 1 1 A 17 17 VAL HA H 17 4.653 4.957 -0.304 1
1 169 . 11 1 1 A 17 17 VAL C C 17 176.716 173.891 2.825 1
1 170 . 11 1 1 A 17 17 VAL CA C 17 61.419 60.135 1.284 1
1 171 . 11 1 1 A 17 17 VAL CB C 17 33.022 35.032 -2.010 1
1 174 . 11 1 1 A 17 17 VAL N N 17 127.119 125.765 1.354 1
1 175 . 11 1 1 A 18 18 ARG H H 18 9.038 8.975 0.063 1
1 176 . 11 1 1 A 18 18 ARG HA H 18 4.669 4.958 -0.289 1
1 181 . 11 1 1 A 18 18 ARG C C 18 174.480 174.464 0.016 1
1 182 . 11 1 1 A 18 18 ARG CA C 18 54.148 54.205 -0.057 1
1 183 . 11 1 1 A 18 18 ARG CB C 18 33.202 34.327 -1.125 1
1 185 . 11 1 1 A 18 18 ARG N N 18 126.432 129.476 -3.044 1
1 186 . 11 1 1 A 19 19 THR H H 19 8.536 8.522 0.014 1
1 187 . 11 1 1 A 19 19 THR HA H 19 4.727 4.792 -0.065 1
1 192 . 11 1 1 A 19 19 THR C C 19 173.644 172.616 1.028 1
1 193 . 11 1 1 A 19 19 THR CA C 19 62.000 62.073 -0.073 1
1 194 . 11 1 1 A 19 19 THR CB C 19 69.919 69.106 0.813 1
1 196 . 11 1 1 A 19 19 THR N N 19 118.670 120.353 -1.683 1
1 197 . 11 1 1 A 20 20 LEU H H 20 8.972 9.099 -0.127 1
1 198 . 11 1 1 A 20 20 LEU HA H 20 4.430 4.967 -0.537 1
1 208 . 11 1 1 A 20 20 LEU C C 20 174.294 175.472 -1.178 1
1 209 . 11 1 1 A 20 20 LEU CA C 20 52.892 53.553 -0.661 1
1 210 . 11 1 1 A 20 20 LEU CB C 20 45.825 43.425 2.400 1
1 214 . 11 1 1 A 20 20 LEU N N 20 128.320 129.427 -1.107 1
1 215 . 11 1 1 A 21 21 ARG H H 21 7.938 8.526 -0.588 1
1 216 . 11 1 1 A 21 21 ARG HA H 21 4.945 4.520 0.425 1
1 223 . 11 1 1 A 21 21 ARG C C 21 175.333 176.083 -0.750 1
1 224 . 11 1 1 A 21 21 ARG CA C 21 54.721 56.830 -2.109 1
1 225 . 11 1 1 A 21 21 ARG CB C 21 32.512 31.056 1.456 1
1 228 . 11 1 1 A 21 21 ARG N N 21 119.462 126.927 -7.465 1
1 229 . 11 1 1 A 22 22 PHE H H 22 9.021 8.811 0.210 1
1 230 . 11 1 1 A 22 22 PHE HA H 22 4.777 4.973 -0.196 1
1 238 . 11 1 1 A 22 22 PHE C C 22 175.039 175.319 -0.280 1
1 239 . 11 1 1 A 22 22 PHE CA C 22 56.549 56.861 -0.312 1
1 240 . 11 1 1 A 22 22 PHE CB C 22 43.356 42.927 0.429 1
1 246 . 11 1 1 A 22 22 PHE N N 22 120.286 120.273 0.013 1
1 247 . 11 1 1 A 23 23 SER H H 23 9.411 9.000 0.411 1
1 248 . 11 1 1 A 23 23 SER HA H 23 4.937 4.686 0.251 1
1 249 . 11 1 1 A 23 23 SER C C 23 177.544 174.697 2.847 1
1 250 . 11 1 1 A 23 23 SER CA C 23 56.727 57.366 -0.639 1
1 251 . 11 1 1 A 23 23 SER N N 23 119.420 119.779 -0.359 1
1 252 . 11 1 1 A 24 24 PRO HA H 24 4.095 4.417 -0.322 1
1 259 . 11 1 1 A 24 24 PRO C C 24 179.325 178.421 0.904 1
1 260 . 11 1 1 A 24 24 PRO CA C 24 66.570 65.065 1.505 1
1 261 . 11 1 1 A 24 24 PRO CB C 24 31.862 31.976 -0.114 1
1 264 . 11 1 1 A 25 25 VAL H H 25 7.563 7.223 0.340 1
1 265 . 11 1 1 A 25 25 VAL HA H 25 3.779 3.807 -0.028 1
1 273 . 11 1 1 A 25 25 VAL C C 25 178.846 177.950 0.896 1
1 274 . 11 1 1 A 25 25 VAL CA C 25 65.693 65.436 0.257 1
1 275 . 11 1 1 A 25 25 VAL CB C 25 32.040 31.705 0.335 1
1 278 . 11 1 1 A 25 25 VAL N N 25 116.405 116.566 -0.161 1
1 279 . 11 1 1 A 26 26 GLU H H 26 7.512 8.586 -1.074 1
1 280 . 11 1 1 A 26 26 GLU HA H 26 3.838 3.967 -0.129 1
1 285 . 11 1 1 A 26 26 GLU C C 26 178.766 178.575 0.191 1
1 286 . 11 1 1 A 26 26 GLU CA C 26 58.902 60.171 -1.269 1
1 287 . 11 1 1 A 26 26 GLU CB C 26 30.798 29.376 1.422 1
1 289 . 11 1 1 A 26 26 GLU N N 26 122.557 118.992 3.565 1
1 290 . 11 1 1 A 27 27 ASP H H 27 8.669 8.637 0.032 1
1 291 . 11 1 1 A 27 27 ASP HA H 27 3.900 4.277 -0.377 1
1 294 . 11 1 1 A 27 27 ASP C C 27 177.586 178.266 -0.680 1
1 295 . 11 1 1 A 27 27 ASP CA C 27 57.954 57.532 0.422 1
1 296 . 11 1 1 A 27 27 ASP CB C 27 43.617 41.728 1.889 1
1 297 . 11 1 1 A 27 27 ASP N N 27 118.012 119.954 -1.942 1
1 298 . 11 1 1 A 28 28 GLU H H 28 7.875 7.988 -0.113 1
1 299 . 11 1 1 A 28 28 GLU HA H 28 3.738 3.988 -0.250 1
1 302 . 11 1 1 A 28 28 GLU C C 28 178.837 178.985 -0.148 1
1 303 . 11 1 1 A 28 28 GLU CA C 28 59.710 59.316 0.394 1
1 304 . 11 1 1 A 28 28 GLU CB C 28 29.550 29.739 -0.189 1
1 305 . 11 1 1 A 28 28 GLU N N 28 118.040 119.073 -1.033 1
1 306 . 11 1 1 A 29 29 THR H H 29 7.662 8.269 -0.607 1
1 307 . 11 1 1 A 29 29 THR HA H 29 3.739 3.912 -0.173 1
1 312 . 11 1 1 A 29 29 THR C C 29 176.344 176.224 0.120 1
1 313 . 11 1 1 A 29 29 THR CA C 29 66.756 67.178 -0.422 1
1 314 . 11 1 1 A 29 29 THR CB C 29 68.663 68.950 -0.287 1
1 316 . 11 1 1 A 29 29 THR N N 29 116.635 116.645 -0.010 1
1 317 . 11 1 1 A 30 30 ILE H H 30 7.875 8.259 -0.384 1
1 318 . 11 1 1 A 30 30 ILE HA H 30 3.159 3.443 -0.284 1
1 328 . 11 1 1 A 30 30 ILE C C 30 176.903 177.932 -1.029 1
1 329 . 11 1 1 A 30 30 ILE CA C 30 65.390 65.250 0.140 1
1 330 . 11 1 1 A 30 30 ILE CB C 30 37.356 37.748 -0.392 1
1 334 . 11 1 1 A 30 30 ILE N N 30 121.804 120.932 0.872 1
1 335 . 11 1 1 A 31 31 ARG H H 31 8.502 8.260 0.242 1
1 336 . 11 1 1 A 31 31 ARG HA H 31 3.508 3.796 -0.288 1
1 343 . 11 1 1 A 31 31 ARG C C 31 179.262 178.574 0.688 1
1 344 . 11 1 1 A 31 31 ARG CA C 31 60.462 59.806 0.656 1
1 345 . 11 1 1 A 31 31 ARG CB C 31 30.075 29.922 0.153 1
1 348 . 11 1 1 A 31 31 ARG N N 31 119.175 120.056 -0.881 1
1 349 . 11 1 1 A 32 32 LYS H H 32 7.497 7.988 -0.491 1
1 350 . 11 1 1 A 32 32 LYS HA H 32 3.884 3.937 -0.053 1
1 357 . 11 1 1 A 32 32 LYS C C 32 178.207 179.420 -1.213 1
1 358 . 11 1 1 A 32 32 LYS CA C 32 59.176 59.536 -0.360 1
1 359 . 11 1 1 A 32 32 LYS CB C 32 32.020 32.160 -0.140 1
1 362 . 11 1 1 A 32 32 LYS N N 32 119.486 117.869 1.617 1
1 363 . 11 1 1 A 33 33 LYS H H 33 7.540 8.101 -0.561 1
1 366 . 11 1 1 A 33 33 LYS C C 33 179.884 178.934 0.950 1
1 367 . 11 1 1 A 33 33 LYS CB C 33 32.095 31.983 0.112 1
1 368 . 11 1 1 A 33 33 LYS N N 33 119.050 119.579 -0.529 1
1 369 . 11 1 1 A 34 34 ALA H H 34 8.208 8.119 0.089 1
1 370 . 11 1 1 A 34 34 ALA HA H 34 3.448 3.857 -0.409 1
1 374 . 11 1 1 A 34 34 ALA C C 34 179.325 178.939 0.386 1
1 375 . 11 1 1 A 34 34 ALA CA C 34 55.826 55.123 0.703 1
1 376 . 11 1 1 A 34 34 ALA CB C 34 17.665 18.218 -0.553 1
1 377 . 11 1 1 A 34 34 ALA N N 34 122.909 121.798 1.111 1
1 378 . 11 1 1 A 35 35 GLU H H 35 7.997 8.206 -0.209 1
1 379 . 11 1 1 A 35 35 GLU HA H 35 3.877 4.072 -0.195 1
1 382 . 11 1 1 A 35 35 GLU C C 35 181.002 177.930 3.072 1
1 383 . 11 1 1 A 35 35 GLU CA C 35 59.737 58.688 1.049 1
1 384 . 11 1 1 A 35 35 GLU CB C 35 29.381 29.201 0.180 1
1 385 . 11 1 1 A 35 35 GLU N N 35 119.482 118.638 0.844 1
1 386 . 11 1 1 A 36 36 ASP H H 36 8.405 8.257 0.148 1
1 387 . 11 1 1 A 36 36 ASP HA H 36 4.279 4.371 -0.092 1
1 390 . 11 1 1 A 36 36 ASP C C 36 177.834 178.001 -0.167 1
1 391 . 11 1 1 A 36 36 ASP CA C 36 57.178 57.297 -0.119 1
1 392 . 11 1 1 A 36 36 ASP CB C 36 40.502 40.827 -0.325 1
1 393 . 11 1 1 A 36 36 ASP N N 36 120.553 120.955 -0.402 1
1 394 . 11 1 1 A 37 37 SER H H 37 7.481 7.872 -0.391 1
1 395 . 11 1 1 A 37 37 SER HA H 37 4.450 4.538 -0.088 1
1 398 . 11 1 1 A 37 37 SER C C 37 174.294 174.932 -0.638 1
1 399 . 11 1 1 A 37 37 SER CA C 37 59.149 58.301 0.848 1
1 400 . 11 1 1 A 37 37 SER CB C 37 64.866 63.718 1.148 1
1 401 . 11 1 1 A 37 37 SER N N 37 112.666 112.970 -0.304 1
1 402 . 11 1 1 A 38 38 GLY H H 38 7.871 7.865 0.006 1
1 403 . 11 1 1 A 38 38 GLY HA2 H 38 3.895 3.947 -0.052 1
1 404 . 11 1 1 A 38 38 GLY HA3 H 38 3.772 3.956 -0.184 1
1 405 . 11 1 1 A 38 38 GLY C C 38 174.108 173.921 0.187 1
1 406 . 11 1 1 A 38 38 GLY CA C 38 46.433 45.649 0.784 1
1 407 . 11 1 1 A 38 38 GLY N N 38 110.893 110.288 0.605 1
1 408 . 11 1 1 A 39 39 LEU H H 39 7.850 7.878 -0.028 1
1 409 . 11 1 1 A 39 39 LEU HA H 39 4.782 4.289 0.493 1
1 419 . 11 1 1 A 39 39 LEU C C 39 177.538 176.289 1.249 1
1 420 . 11 1 1 A 39 39 LEU CA C 39 53.141 54.259 -1.118 1
1 421 . 11 1 1 A 39 39 LEU CB C 39 47.097 41.540 5.557 1
1 425 . 11 1 1 A 39 39 LEU N N 39 119.947 123.346 -3.399 1
1 426 . 11 1 1 A 40 40 THR H H 40 7.654 8.782 -1.128 1
1 427 . 11 1 1 A 40 40 THR HA H 40 4.234 4.219 0.015 1
1 432 . 11 1 1 A 40 40 THR C C 40 175.658 175.932 -0.274 1
1 433 . 11 1 1 A 40 40 THR CA C 40 61.188 62.534 -1.346 1
1 434 . 11 1 1 A 40 40 THR CB C 40 70.501 69.293 1.208 1
1 436 . 11 1 1 A 40 40 THR N N 40 109.345 119.911 -10.566 1
1 437 . 11 1 1 A 41 41 VAL H H 41 8.721 8.706 0.015 1
1 438 . 11 1 1 A 41 41 VAL HA H 41 3.239 3.653 -0.414 1
1 446 . 11 1 1 A 41 41 VAL C C 41 178.021 177.187 0.834 1
1 447 . 11 1 1 A 41 41 VAL CA C 41 68.189 66.704 1.485 1
1 448 . 11 1 1 A 41 41 VAL CB C 41 31.300 31.746 -0.446 1
1 451 . 11 1 1 A 41 41 VAL N N 41 121.470 128.147 -6.677 1
1 452 . 11 1 1 A 42 42 SER H H 42 8.424 8.045 0.379 1
1 453 . 11 1 1 A 42 42 SER HA H 42 3.742 4.039 -0.297 1
1 454 . 11 1 1 A 42 42 SER C C 42 175.785 176.420 -0.635 1
1 455 . 11 1 1 A 42 42 SER CA C 42 62.514 62.083 0.431 1
1 456 . 11 1 1 A 42 42 SER N N 42 113.251 115.347 -2.096 1
1 457 . 11 1 1 A 43 43 ALA H H 43 7.494 7.646 -0.152 1
1 458 . 11 1 1 A 43 43 ALA HA H 43 3.916 4.082 -0.166 1
1 462 . 11 1 1 A 43 43 ALA C C 43 179.884 179.048 0.836 1
1 463 . 11 1 1 A 43 43 ALA CA C 43 55.172 54.928 0.244 1
1 464 . 11 1 1 A 43 43 ALA CB C 43 19.490 18.468 1.022 1
1 465 . 11 1 1 A 43 43 ALA N N 43 123.328 123.371 -0.043 1
1 466 . 11 1 1 A 44 44 TYR H H 44 8.662 8.784 -0.122 1
1 467 . 11 1 1 A 44 44 TYR HA H 44 3.742 4.148 -0.406 1
1 474 . 11 1 1 A 44 44 TYR C C 44 177.593 177.365 0.228 1
1 475 . 11 1 1 A 44 44 TYR CA C 44 62.514 61.404 1.110 1
1 476 . 11 1 1 A 44 44 TYR CB C 44 39.211 38.641 0.570 1
1 481 . 11 1 1 A 44 44 TYR N N 44 119.611 119.892 -0.281 1
1 482 . 11 1 1 A 45 45 ILE H H 45 8.445 8.713 -0.268 1
1 483 . 11 1 1 A 45 45 ILE HA H 45 3.138 3.684 -0.546 1
1 493 . 11 1 1 A 45 45 ILE C C 45 177.462 177.951 -0.489 1
1 494 . 11 1 1 A 45 45 ILE CA C 45 66.393 64.850 1.543 1
1 495 . 11 1 1 A 45 45 ILE CB C 45 37.810 37.813 -0.003 1
1 499 . 11 1 1 A 45 45 ILE N N 45 118.859 121.167 -2.308 1
1 500 . 11 1 1 A 46 46 ARG H H 46 8.026 8.021 0.005 1
1 501 . 11 1 1 A 46 46 ARG HA H 46 3.635 4.046 -0.411 1
1 506 . 11 1 1 A 46 46 ARG C C 46 177.462 178.313 -0.851 1
1 507 . 11 1 1 A 46 46 ARG CA C 46 60.816 58.869 1.947 1
1 508 . 11 1 1 A 46 46 ARG CB C 46 30.287 30.180 0.107 1
1 510 . 11 1 1 A 46 46 ARG N N 46 117.983 120.762 -2.779 1
1 511 . 11 1 1 A 47 47 ASN H H 47 8.026 8.606 -0.580 1
1 512 . 11 1 1 A 47 47 ASN HA H 47 4.078 4.329 -0.251 1
1 517 . 11 1 1 A 47 47 ASN C C 47 177.648 177.211 0.437 1
1 518 . 11 1 1 A 47 47 ASN CA C 47 56.329 56.878 -0.549 1
1 519 . 11 1 1 A 47 47 ASN CB C 47 38.112 39.419 -1.307 1
1 520 . 11 1 1 A 47 47 ASN N N 47 115.323 118.001 -2.678 1
1 522 . 11 1 1 A 48 48 ALA H H 48 7.809 8.129 -0.320 1
1 523 . 11 1 1 A 48 48 ALA HA H 48 3.792 3.862 -0.070 1
1 527 . 11 1 1 A 48 48 ALA C C 48 179.325 179.821 -0.496 1
1 528 . 11 1 1 A 48 48 ALA CA C 48 54.393 54.680 -0.287 1
1 529 . 11 1 1 A 48 48 ALA CB C 48 16.905 17.962 -1.057 1
1 530 . 11 1 1 A 48 48 ALA N N 48 121.450 121.234 0.216 1
1 531 . 11 1 1 A 49 49 ALA H H 49 7.863 7.745 0.118 1
1 532 . 11 1 1 A 49 49 ALA HA H 49 3.821 4.150 -0.329 1
1 536 . 11 1 1 A 49 49 ALA C C 49 178.503 180.000 -1.497 1
1 537 . 11 1 1 A 49 49 ALA CA C 49 54.016 54.458 -0.442 1
1 538 . 11 1 1 A 49 49 ALA CB C 49 19.693 18.710 0.983 1
1 539 . 11 1 1 A 49 49 ALA N N 49 117.188 120.102 -2.914 1
1 540 . 11 1 1 A 50 50 LEU H H 50 7.610 8.102 -0.492 1
1 541 . 11 1 1 A 50 50 LEU HA H 50 4.062 4.115 -0.053 1
1 551 . 11 1 1 A 50 50 LEU C C 50 176.716 178.834 -2.118 1
1 552 . 11 1 1 A 50 50 LEU CA C 50 55.766 57.543 -1.777 1
1 553 . 11 1 1 A 50 50 LEU CB C 50 43.320 41.738 1.582 1
1 557 . 11 1 1 A 50 50 LEU N N 50 116.113 120.234 -4.121 1
1 6 . 12 1 1 A 2 2 ASP HA H 2 4.569 4.576 -0.007 1
1 9 . 12 1 1 A 2 2 ASP C C 2 176.530 175.781 0.749 1
1 10 . 12 1 1 A 2 2 ASP CA C 2 54.589 56.182 -1.593 1
1 11 . 12 1 1 A 2 2 ASP CB C 2 41.462 42.109 -0.647 1
1 12 . 12 1 1 A 3 3 SER H H 3 8.267 7.471 0.796 1
1 13 . 12 1 1 A 3 3 SER HA H 3 4.276 4.609 -0.333 1
1 16 . 12 1 1 A 3 3 SER C C 3 174.667 172.188 2.479 1
1 17 . 12 1 1 A 3 3 SER CA C 3 58.605 57.043 1.562 1
1 18 . 12 1 1 A 3 3 SER CB C 3 63.763 65.089 -1.326 1
1 19 . 12 1 1 A 3 3 SER N N 3 116.529 110.212 6.317 1
1 20 . 12 1 1 A 4 4 ALA H H 4 8.196 8.505 -0.309 1
1 21 . 12 1 1 A 4 4 ALA HA H 4 4.179 5.201 -1.022 1
1 25 . 12 1 1 A 4 4 ALA C C 4 178.021 176.527 1.494 1
1 26 . 12 1 1 A 4 4 ALA CA C 4 52.977 51.066 1.911 1
1 27 . 12 1 1 A 4 4 ALA CB C 4 19.202 23.889 -4.687 1
1 28 . 12 1 1 A 4 4 ALA N N 4 125.751 124.001 1.750 1
1 29 . 12 1 1 A 5 5 VAL H H 5 7.811 8.358 -0.547 1
1 30 . 12 1 1 A 5 5 VAL HA H 5 3.912 4.659 -0.747 1
1 38 . 12 1 1 A 5 5 VAL C C 5 176.344 174.850 1.494 1
1 39 . 12 1 1 A 5 5 VAL CA C 5 62.506 59.864 2.642 1
1 40 . 12 1 1 A 5 5 VAL CB C 5 32.588 34.176 -1.588 1
1 43 . 12 1 1 A 5 5 VAL N N 5 118.872 115.497 3.375 1
1 44 . 12 1 1 A 6 6 ARG H H 6 8.146 9.023 -0.877 1
1 45 . 12 1 1 A 6 6 ARG HA H 6 4.195 5.040 -0.845 1
1 50 . 12 1 1 A 6 6 ARG C C 6 176.344 174.563 1.781 1
1 51 . 12 1 1 A 6 6 ARG CA C 6 56.173 54.428 1.745 1
1 52 . 12 1 1 A 6 6 ARG CB C 6 30.859 33.575 -2.716 1
1 54 . 12 1 1 A 6 6 ARG N N 6 124.824 118.415 6.409 1
1 55 . 12 1 1 A 7 7 LYS H H 7 8.207 8.816 -0.609 1
1 56 . 12 1 1 A 7 7 LYS C C 7 176.792 175.906 0.886 1
1 57 . 12 1 1 A 7 7 LYS N N 7 123.109 124.298 -1.189 1
1 58 . 12 1 1 A 8 8 LYS H H 8 8.258 8.749 -0.491 1
1 59 . 12 1 1 A 8 8 LYS C C 8 176.903 177.916 -1.013 1
1 60 . 12 1 1 A 8 8 LYS N N 8 122.855 124.771 -1.916 1
1 61 . 12 1 1 A 9 9 SER H H 9 8.197 8.636 -0.439 1
1 62 . 12 1 1 A 9 9 SER HA H 9 4.243 4.347 -0.104 1
1 65 . 12 1 1 A 9 9 SER C C 9 174.667 174.442 0.225 1
1 66 . 12 1 1 A 9 9 SER CA C 9 58.831 59.832 -1.001 1
1 67 . 12 1 1 A 9 9 SER CB C 9 63.763 63.560 0.203 1
1 68 . 12 1 1 A 9 9 SER N N 9 116.772 116.021 0.751 1
1 69 . 12 1 1 A 10 10 GLU H H 10 8.280 7.823 0.457 1
1 70 . 12 1 1 A 10 10 GLU HA H 10 4.201 4.815 -0.614 1
1 73 . 12 1 1 A 10 10 GLU C C 10 176.530 176.044 0.486 1
1 74 . 12 1 1 A 10 10 GLU CA C 10 56.610 55.017 1.593 1
1 75 . 12 1 1 A 10 10 GLU CB C 10 30.511 34.168 -3.657 1
1 76 . 12 1 1 A 10 10 GLU N N 10 123.218 119.997 3.221 1
1 77 . 12 1 1 A 11 11 VAL H H 11 8.032 8.466 -0.434 1
1 78 . 12 1 1 A 11 11 VAL HA H 11 3.888 4.302 -0.414 1
1 86 . 12 1 1 A 11 11 VAL C C 11 176.344 177.269 -0.925 1
1 87 . 12 1 1 A 11 11 VAL CA C 11 62.778 63.264 -0.486 1
1 88 . 12 1 1 A 11 11 VAL CB C 11 32.229 34.685 -2.456 1
1 91 . 12 1 1 A 11 11 VAL N N 11 121.505 123.994 -2.489 1
1 92 . 12 1 1 A 12 12 ARG H H 12 8.269 7.896 0.373 1
1 93 . 12 1 1 A 12 12 ARG HA H 12 4.195 4.071 0.124 1
1 98 . 12 1 1 A 12 12 ARG C C 12 176.344 176.221 0.123 1
1 99 . 12 1 1 A 12 12 ARG CA C 12 56.173 59.565 -3.392 1
1 100 . 12 1 1 A 12 12 ARG CB C 12 30.859 30.610 0.249 1
1 102 . 12 1 1 A 12 12 ARG N N 12 124.717 122.366 2.351 1
1 103 . 12 1 1 A 13 13 GLN H H 13 8.246 7.459 0.787 1
1 104 . 12 1 1 A 13 13 GLN HA H 13 4.208 4.609 -0.401 1
1 111 . 12 1 1 A 13 13 GLN C C 13 175.971 175.750 0.221 1
1 112 . 12 1 1 A 13 13 GLN CA C 13 55.916 54.293 1.623 1
1 113 . 12 1 1 A 13 13 GLN CB C 13 29.864 28.925 0.939 1
1 115 . 12 1 1 A 13 13 GLN N N 13 121.386 117.143 4.243 1
1 117 . 12 1 1 A 14 14 LYS H H 14 8.276 8.467 -0.191 1
1 118 . 12 1 1 A 14 14 LYS HA H 14 4.149 4.109 0.040 1
1 127 . 12 1 1 A 14 14 LYS C C 14 175.971 176.380 -0.409 1
1 128 . 12 1 1 A 14 14 LYS CA C 14 56.518 58.776 -2.258 1
1 129 . 12 1 1 A 14 14 LYS CB C 14 33.073 32.157 0.916 1
1 133 . 12 1 1 A 14 14 LYS N N 14 123.021 122.932 0.089 1
1 134 . 12 1 1 A 15 15 THR H H 15 7.720 7.660 0.060 1
1 135 . 12 1 1 A 15 15 THR HA H 15 4.225 4.431 -0.206 1
1 140 . 12 1 1 A 15 15 THR C C 15 173.801 173.670 0.131 1
1 141 . 12 1 1 A 15 15 THR CA C 15 62.211 61.585 0.626 1
1 142 . 12 1 1 A 15 15 THR CB C 15 70.979 70.417 0.562 1
1 144 . 12 1 1 A 15 15 THR N N 15 114.171 116.008 -1.837 1
1 145 . 12 1 1 A 16 16 VAL H H 16 9.143 8.371 0.772 1
1 146 . 12 1 1 A 16 16 VAL HA H 16 4.004 4.702 -0.698 1
1 154 . 12 1 1 A 16 16 VAL C C 16 174.853 174.912 -0.059 1
1 155 . 12 1 1 A 16 16 VAL CA C 16 62.452 61.249 1.203 1
1 156 . 12 1 1 A 16 16 VAL CB C 16 33.361 33.740 -0.379 1
1 159 . 12 1 1 A 16 16 VAL N N 16 126.087 124.893 1.194 1
1 160 . 12 1 1 A 17 17 VAL H H 17 8.364 8.640 -0.276 1
1 161 . 12 1 1 A 17 17 VAL HA H 17 4.653 4.914 -0.261 1
1 169 . 12 1 1 A 17 17 VAL C C 17 176.716 173.967 2.749 1
1 170 . 12 1 1 A 17 17 VAL CA C 17 61.419 60.292 1.127 1
1 171 . 12 1 1 A 17 17 VAL CB C 17 33.022 35.094 -2.072 1
1 174 . 12 1 1 A 17 17 VAL N N 17 127.119 125.758 1.361 1
1 175 . 12 1 1 A 18 18 ARG H H 18 9.038 8.737 0.301 1
1 176 . 12 1 1 A 18 18 ARG HA H 18 4.669 4.756 -0.087 1
1 181 . 12 1 1 A 18 18 ARG C C 18 174.480 173.950 0.530 1
1 182 . 12 1 1 A 18 18 ARG CA C 18 54.148 55.055 -0.907 1
1 183 . 12 1 1 A 18 18 ARG CB C 18 33.202 33.876 -0.674 1
1 185 . 12 1 1 A 18 18 ARG N N 18 126.432 128.569 -2.137 1
1 186 . 12 1 1 A 19 19 THR H H 19 8.536 8.548 -0.012 1
1 187 . 12 1 1 A 19 19 THR HA H 19 4.727 4.902 -0.175 1
1 192 . 12 1 1 A 19 19 THR C C 19 173.644 172.966 0.678 1
1 193 . 12 1 1 A 19 19 THR CA C 19 62.000 62.244 -0.244 1
1 194 . 12 1 1 A 19 19 THR CB C 19 69.919 69.826 0.093 1
1 196 . 12 1 1 A 19 19 THR N N 19 118.670 117.722 0.948 1
1 197 . 12 1 1 A 20 20 LEU H H 20 8.972 8.987 -0.015 1
1 198 . 12 1 1 A 20 20 LEU HA H 20 4.430 4.879 -0.449 1
1 208 . 12 1 1 A 20 20 LEU C C 20 174.294 175.272 -0.978 1
1 209 . 12 1 1 A 20 20 LEU CA C 20 52.892 53.436 -0.544 1
1 210 . 12 1 1 A 20 20 LEU CB C 20 45.825 44.371 1.454 1
1 214 . 12 1 1 A 20 20 LEU N N 20 128.320 129.677 -1.357 1
1 215 . 12 1 1 A 21 21 ARG H H 21 7.938 8.707 -0.769 1
1 216 . 12 1 1 A 21 21 ARG HA H 21 4.945 4.729 0.216 1
1 223 . 12 1 1 A 21 21 ARG C C 21 175.333 175.384 -0.051 1
1 224 . 12 1 1 A 21 21 ARG CA C 21 54.721 55.777 -1.056 1
1 225 . 12 1 1 A 21 21 ARG CB C 21 32.512 32.259 0.253 1
1 228 . 12 1 1 A 21 21 ARG N N 21 119.462 126.187 -6.725 1
1 229 . 12 1 1 A 22 22 PHE H H 22 9.021 8.833 0.188 1
1 230 . 12 1 1 A 22 22 PHE HA H 22 4.777 5.157 -0.380 1
1 238 . 12 1 1 A 22 22 PHE C C 22 175.039 174.790 0.249 1
1 239 . 12 1 1 A 22 22 PHE CA C 22 56.549 56.546 0.003 1
1 240 . 12 1 1 A 22 22 PHE CB C 22 43.356 44.060 -0.704 1
1 246 . 12 1 1 A 22 22 PHE N N 22 120.286 119.741 0.545 1
1 247 . 12 1 1 A 23 23 SER H H 23 9.411 8.908 0.503 1
1 248 . 12 1 1 A 23 23 SER HA H 23 4.937 4.824 0.113 1
1 249 . 12 1 1 A 23 23 SER C C 23 177.544 174.472 3.072 1
1 250 . 12 1 1 A 23 23 SER CA C 23 56.727 56.840 -0.113 1
1 251 . 12 1 1 A 23 23 SER N N 23 119.420 118.339 1.081 1
1 252 . 12 1 1 A 24 24 PRO HA H 24 4.095 4.250 -0.155 1
1 259 . 12 1 1 A 24 24 PRO C C 24 179.325 178.725 0.600 1
1 260 . 12 1 1 A 24 24 PRO CA C 24 66.570 65.685 0.885 1
1 261 . 12 1 1 A 24 24 PRO CB C 24 31.862 31.720 0.142 1
1 264 . 12 1 1 A 25 25 VAL H H 25 7.563 7.481 0.082 1
1 265 . 12 1 1 A 25 25 VAL HA H 25 3.779 3.856 -0.077 1
1 273 . 12 1 1 A 25 25 VAL C C 25 178.846 177.966 0.880 1
1 274 . 12 1 1 A 25 25 VAL CA C 25 65.693 65.205 0.488 1
1 275 . 12 1 1 A 25 25 VAL CB C 25 32.040 31.301 0.739 1
1 278 . 12 1 1 A 25 25 VAL N N 25 116.405 115.962 0.443 1
1 279 . 12 1 1 A 26 26 GLU H H 26 7.512 8.098 -0.586 1
1 280 . 12 1 1 A 26 26 GLU HA H 26 3.838 4.064 -0.226 1
1 285 . 12 1 1 A 26 26 GLU C C 26 178.766 179.140 -0.374 1
1 286 . 12 1 1 A 26 26 GLU CA C 26 58.902 59.452 -0.550 1
1 287 . 12 1 1 A 26 26 GLU CB C 26 30.798 29.747 1.051 1
1 289 . 12 1 1 A 26 26 GLU N N 26 122.557 120.353 2.204 1
1 290 . 12 1 1 A 27 27 ASP H H 27 8.669 8.073 0.596 1
1 291 . 12 1 1 A 27 27 ASP HA H 27 3.900 4.174 -0.274 1
1 294 . 12 1 1 A 27 27 ASP C C 27 177.586 178.276 -0.690 1
1 295 . 12 1 1 A 27 27 ASP CA C 27 57.954 57.482 0.472 1
1 296 . 12 1 1 A 27 27 ASP CB C 27 43.617 41.173 2.444 1
1 297 . 12 1 1 A 27 27 ASP N N 27 118.012 119.446 -1.434 1
1 298 . 12 1 1 A 28 28 GLU H H 28 7.875 8.287 -0.412 1
1 299 . 12 1 1 A 28 28 GLU HA H 28 3.738 3.989 -0.251 1
1 302 . 12 1 1 A 28 28 GLU C C 28 178.837 179.135 -0.298 1
1 303 . 12 1 1 A 28 28 GLU CA C 28 59.710 59.428 0.282 1
1 304 . 12 1 1 A 28 28 GLU CB C 28 29.550 29.300 0.250 1
1 305 . 12 1 1 A 28 28 GLU N N 28 118.040 119.187 -1.147 1
1 306 . 12 1 1 A 29 29 THR H H 29 7.662 7.634 0.028 1
1 307 . 12 1 1 A 29 29 THR HA H 29 3.739 3.997 -0.258 1
1 312 . 12 1 1 A 29 29 THR C C 29 176.344 176.039 0.305 1
1 313 . 12 1 1 A 29 29 THR CA C 29 66.756 67.218 -0.462 1
1 314 . 12 1 1 A 29 29 THR CB C 29 68.663 68.512 0.151 1
1 316 . 12 1 1 A 29 29 THR N N 29 116.635 115.821 0.814 1
1 317 . 12 1 1 A 30 30 ILE H H 30 7.875 7.951 -0.076 1
1 318 . 12 1 1 A 30 30 ILE HA H 30 3.159 3.340 -0.181 1
1 328 . 12 1 1 A 30 30 ILE C C 30 176.903 177.960 -1.057 1
1 329 . 12 1 1 A 30 30 ILE CA C 30 65.390 65.152 0.238 1
1 330 . 12 1 1 A 30 30 ILE CB C 30 37.356 37.586 -0.230 1
1 334 . 12 1 1 A 30 30 ILE N N 30 121.804 120.798 1.006 1
1 335 . 12 1 1 A 31 31 ARG H H 31 8.502 8.140 0.362 1
1 336 . 12 1 1 A 31 31 ARG HA H 31 3.508 3.779 -0.271 1
1 343 . 12 1 1 A 31 31 ARG C C 31 179.262 178.652 0.610 1
1 344 . 12 1 1 A 31 31 ARG CA C 31 60.462 59.745 0.717 1
1 345 . 12 1 1 A 31 31 ARG CB C 31 30.075 29.730 0.345 1
1 348 . 12 1 1 A 31 31 ARG N N 31 119.175 120.128 -0.953 1
1 349 . 12 1 1 A 32 32 LYS H H 32 7.497 7.697 -0.200 1
1 350 . 12 1 1 A 32 32 LYS HA H 32 3.884 4.023 -0.139 1
1 357 . 12 1 1 A 32 32 LYS C C 32 178.207 178.877 -0.670 1
1 358 . 12 1 1 A 32 32 LYS CA C 32 59.176 59.573 -0.397 1
1 359 . 12 1 1 A 32 32 LYS CB C 32 32.020 32.104 -0.084 1
1 362 . 12 1 1 A 32 32 LYS N N 32 119.486 118.045 1.441 1
1 363 . 12 1 1 A 33 33 LYS H H 33 7.540 8.035 -0.495 1
1 366 . 12 1 1 A 33 33 LYS C C 33 179.884 178.580 1.304 1
1 367 . 12 1 1 A 33 33 LYS CB C 33 32.095 31.985 0.110 1
1 368 . 12 1 1 A 33 33 LYS N N 33 119.050 120.276 -1.226 1
1 369 . 12 1 1 A 34 34 ALA H H 34 8.208 7.929 0.279 1
1 370 . 12 1 1 A 34 34 ALA HA H 34 3.448 4.034 -0.586 1
1 374 . 12 1 1 A 34 34 ALA C C 34 179.325 178.750 0.575 1
1 375 . 12 1 1 A 34 34 ALA CA C 34 55.826 55.192 0.634 1
1 376 . 12 1 1 A 34 34 ALA CB C 34 17.665 18.009 -0.344 1
1 377 . 12 1 1 A 34 34 ALA N N 34 122.909 121.799 1.110 1
1 378 . 12 1 1 A 35 35 GLU H H 35 7.997 8.282 -0.285 1
1 379 . 12 1 1 A 35 35 GLU HA H 35 3.877 4.053 -0.176 1
1 382 . 12 1 1 A 35 35 GLU C C 35 181.002 178.144 2.858 1
1 383 . 12 1 1 A 35 35 GLU CA C 35 59.737 59.291 0.446 1
1 384 . 12 1 1 A 35 35 GLU CB C 35 29.381 28.941 0.440 1
1 385 . 12 1 1 A 35 35 GLU N N 35 119.482 118.374 1.108 1
1 386 . 12 1 1 A 36 36 ASP H H 36 8.405 8.102 0.303 1
1 387 . 12 1 1 A 36 36 ASP HA H 36 4.279 4.399 -0.120 1
1 390 . 12 1 1 A 36 36 ASP C C 36 177.834 178.063 -0.229 1
1 391 . 12 1 1 A 36 36 ASP CA C 36 57.178 57.146 0.032 1
1 392 . 12 1 1 A 36 36 ASP CB C 36 40.502 40.893 -0.391 1
1 393 . 12 1 1 A 36 36 ASP N N 36 120.553 120.581 -0.028 1
1 394 . 12 1 1 A 37 37 SER H H 37 7.481 7.902 -0.421 1
1 395 . 12 1 1 A 37 37 SER HA H 37 4.450 4.527 -0.077 1
1 398 . 12 1 1 A 37 37 SER C C 37 174.294 174.852 -0.558 1
1 399 . 12 1 1 A 37 37 SER CA C 37 59.149 58.316 0.833 1
1 400 . 12 1 1 A 37 37 SER CB C 37 64.866 63.656 1.210 1
1 401 . 12 1 1 A 37 37 SER N N 37 112.666 112.947 -0.281 1
1 402 . 12 1 1 A 38 38 GLY H H 38 7.871 8.400 -0.529 1
1 403 . 12 1 1 A 38 38 GLY HA2 H 38 3.895 3.962 -0.067 1
1 404 . 12 1 1 A 38 38 GLY HA3 H 38 3.772 3.968 -0.196 1
1 405 . 12 1 1 A 38 38 GLY C C 38 174.108 174.278 -0.170 1
1 406 . 12 1 1 A 38 38 GLY CA C 38 46.433 46.260 0.173 1
1 407 . 12 1 1 A 38 38 GLY N N 38 110.893 110.218 0.675 1
1 408 . 12 1 1 A 39 39 LEU H H 39 7.850 7.758 0.092 1
1 409 . 12 1 1 A 39 39 LEU HA H 39 4.782 4.486 0.296 1
1 419 . 12 1 1 A 39 39 LEU C C 39 177.538 175.772 1.766 1
1 420 . 12 1 1 A 39 39 LEU CA C 39 53.141 54.148 -1.007 1
1 421 . 12 1 1 A 39 39 LEU CB C 39 47.097 43.536 3.561 1
1 425 . 12 1 1 A 39 39 LEU N N 39 119.947 122.267 -2.320 1
1 426 . 12 1 1 A 40 40 THR H H 40 7.654 8.651 -0.997 1
1 427 . 12 1 1 A 40 40 THR HA H 40 4.234 4.331 -0.097 1
1 432 . 12 1 1 A 40 40 THR C C 40 175.658 175.754 -0.096 1
1 433 . 12 1 1 A 40 40 THR CA C 40 61.188 62.619 -1.431 1
1 434 . 12 1 1 A 40 40 THR CB C 40 70.501 69.255 1.246 1
1 436 . 12 1 1 A 40 40 THR N N 40 109.345 120.145 -10.800 1
1 437 . 12 1 1 A 41 41 VAL H H 41 8.721 8.717 0.004 1
1 438 . 12 1 1 A 41 41 VAL HA H 41 3.239 3.605 -0.366 1
1 446 . 12 1 1 A 41 41 VAL C C 41 178.021 177.491 0.530 1
1 447 . 12 1 1 A 41 41 VAL CA C 41 68.189 66.656 1.533 1
1 448 . 12 1 1 A 41 41 VAL CB C 41 31.300 31.627 -0.327 1
1 451 . 12 1 1 A 41 41 VAL N N 41 121.470 128.152 -6.682 1
1 452 . 12 1 1 A 42 42 SER H H 42 8.424 8.248 0.176 1
1 453 . 12 1 1 A 42 42 SER HA H 42 3.742 4.218 -0.476 1
1 454 . 12 1 1 A 42 42 SER C C 42 175.785 177.321 -1.536 1
1 455 . 12 1 1 A 42 42 SER CA C 42 62.514 61.326 1.188 1
1 456 . 12 1 1 A 42 42 SER N N 42 113.251 114.117 -0.866 1
1 457 . 12 1 1 A 43 43 ALA H H 43 7.494 7.433 0.061 1
1 458 . 12 1 1 A 43 43 ALA HA H 43 3.916 4.101 -0.185 1
1 462 . 12 1 1 A 43 43 ALA C C 43 179.884 179.155 0.729 1
1 463 . 12 1 1 A 43 43 ALA CA C 43 55.172 54.971 0.201 1
1 464 . 12 1 1 A 43 43 ALA CB C 43 19.490 18.458 1.032 1
1 465 . 12 1 1 A 43 43 ALA N N 43 123.328 123.595 -0.267 1
1 466 . 12 1 1 A 44 44 TYR H H 44 8.662 8.700 -0.038 1
1 467 . 12 1 1 A 44 44 TYR HA H 44 3.742 4.131 -0.389 1
1 474 . 12 1 1 A 44 44 TYR C C 44 177.593 177.432 0.161 1
1 475 . 12 1 1 A 44 44 TYR CA C 44 62.514 61.549 0.965 1
1 476 . 12 1 1 A 44 44 TYR CB C 44 39.211 38.559 0.652 1
1 481 . 12 1 1 A 44 44 TYR N N 44 119.611 120.118 -0.507 1
1 482 . 12 1 1 A 45 45 ILE H H 45 8.445 8.715 -0.270 1
1 483 . 12 1 1 A 45 45 ILE HA H 45 3.138 3.742 -0.604 1
1 493 . 12 1 1 A 45 45 ILE C C 45 177.462 177.993 -0.531 1
1 494 . 12 1 1 A 45 45 ILE CA C 45 66.393 64.882 1.511 1
1 495 . 12 1 1 A 45 45 ILE CB C 45 37.810 37.917 -0.107 1
1 499 . 12 1 1 A 45 45 ILE N N 45 118.859 121.231 -2.372 1
1 500 . 12 1 1 A 46 46 ARG H H 46 8.026 7.930 0.096 1
1 501 . 12 1 1 A 46 46 ARG HA H 46 3.635 4.041 -0.406 1
1 506 . 12 1 1 A 46 46 ARG C C 46 177.462 178.349 -0.887 1
1 507 . 12 1 1 A 46 46 ARG CA C 46 60.816 58.925 1.891 1
1 508 . 12 1 1 A 46 46 ARG CB C 46 30.287 30.175 0.112 1
1 510 . 12 1 1 A 46 46 ARG N N 46 117.983 120.711 -2.728 1
1 511 . 12 1 1 A 47 47 ASN H H 47 8.026 8.662 -0.636 1
1 512 . 12 1 1 A 47 47 ASN HA H 47 4.078 4.352 -0.274 1
1 517 . 12 1 1 A 47 47 ASN C C 47 177.648 177.196 0.452 1
1 518 . 12 1 1 A 47 47 ASN CA C 47 56.329 56.851 -0.522 1
1 519 . 12 1 1 A 47 47 ASN CB C 47 38.112 39.376 -1.264 1
1 520 . 12 1 1 A 47 47 ASN N N 47 115.323 118.012 -2.689 1
1 522 . 12 1 1 A 48 48 ALA H H 48 7.809 8.134 -0.325 1
1 523 . 12 1 1 A 48 48 ALA HA H 48 3.792 3.881 -0.089 1
1 527 . 12 1 1 A 48 48 ALA C C 48 179.325 180.403 -1.078 1
1 528 . 12 1 1 A 48 48 ALA CA C 48 54.393 54.721 -0.328 1
1 529 . 12 1 1 A 48 48 ALA CB C 48 16.905 18.018 -1.113 1
1 530 . 12 1 1 A 48 48 ALA N N 48 121.450 121.413 0.037 1
1 531 . 12 1 1 A 49 49 ALA H H 49 7.863 7.956 -0.093 1
1 532 . 12 1 1 A 49 49 ALA HA H 49 3.821 4.099 -0.278 1
1 536 . 12 1 1 A 49 49 ALA C C 49 178.503 178.312 0.191 1
1 537 . 12 1 1 A 49 49 ALA CA C 49 54.016 54.217 -0.201 1
1 538 . 12 1 1 A 49 49 ALA CB C 49 19.693 18.295 1.398 1
1 539 . 12 1 1 A 49 49 ALA N N 49 117.188 120.019 -2.831 1
1 540 . 12 1 1 A 50 50 LEU H H 50 7.610 7.224 0.386 1
1 541 . 12 1 1 A 50 50 LEU HA H 50 4.062 4.345 -0.283 1
1 551 . 12 1 1 A 50 50 LEU C C 50 176.716 177.664 -0.948 1
1 552 . 12 1 1 A 50 50 LEU CA C 50 55.766 55.584 0.182 1
1 553 . 12 1 1 A 50 50 LEU CB C 50 43.320 43.196 0.124 1
1 557 . 12 1 1 A 50 50 LEU N N 50 116.113 114.908 1.205 1
1 6 . 13 1 1 A 2 2 ASP HA H 2 4.569 4.301 0.268 1
1 9 . 13 1 1 A 2 2 ASP C C 2 176.530 176.956 -0.426 1
1 10 . 13 1 1 A 2 2 ASP CA C 2 54.589 57.505 -2.916 1
1 11 . 13 1 1 A 2 2 ASP CB C 2 41.462 41.135 0.327 1
1 12 . 13 1 1 A 3 3 SER H H 3 8.267 7.770 0.497 1
1 13 . 13 1 1 A 3 3 SER HA H 3 4.276 4.581 -0.305 1
1 16 . 13 1 1 A 3 3 SER C C 3 174.667 173.933 0.734 1
1 17 . 13 1 1 A 3 3 SER CA C 3 58.605 58.568 0.037 1
1 18 . 13 1 1 A 3 3 SER CB C 3 63.763 63.855 -0.092 1
1 19 . 13 1 1 A 3 3 SER N N 3 116.529 109.572 6.957 1
1 20 . 13 1 1 A 4 4 ALA H H 4 8.196 7.935 0.261 1
1 21 . 13 1 1 A 4 4 ALA HA H 4 4.179 4.626 -0.447 1
1 25 . 13 1 1 A 4 4 ALA C C 4 178.021 175.359 2.662 1
1 26 . 13 1 1 A 4 4 ALA CA C 4 52.977 51.097 1.880 1
1 27 . 13 1 1 A 4 4 ALA CB C 4 19.202 23.582 -4.380 1
1 28 . 13 1 1 A 4 4 ALA N N 4 125.751 121.120 4.631 1
1 29 . 13 1 1 A 5 5 VAL H H 5 7.811 8.784 -0.973 1
1 30 . 13 1 1 A 5 5 VAL HA H 5 3.912 4.769 -0.857 1
1 38 . 13 1 1 A 5 5 VAL C C 5 176.344 173.822 2.522 1
1 39 . 13 1 1 A 5 5 VAL CA C 5 62.506 59.705 2.801 1
1 40 . 13 1 1 A 5 5 VAL CB C 5 32.588 36.035 -3.447 1
1 43 . 13 1 1 A 5 5 VAL N N 5 118.872 117.466 1.406 1
1 44 . 13 1 1 A 6 6 ARG H H 6 8.146 8.985 -0.839 1
1 45 . 13 1 1 A 6 6 ARG HA H 6 4.195 5.260 -1.065 1
1 50 . 13 1 1 A 6 6 ARG C C 6 176.344 174.229 2.115 1
1 51 . 13 1 1 A 6 6 ARG CA C 6 56.173 53.966 2.207 1
1 52 . 13 1 1 A 6 6 ARG CB C 6 30.859 35.018 -4.159 1
1 54 . 13 1 1 A 6 6 ARG N N 6 124.824 122.390 2.434 1
1 55 . 13 1 1 A 7 7 LYS H H 7 8.207 8.812 -0.605 1
1 56 . 13 1 1 A 7 7 LYS C C 7 176.792 175.225 1.567 1
1 57 . 13 1 1 A 7 7 LYS N N 7 123.109 118.268 4.841 1
1 58 . 13 1 1 A 8 8 LYS H H 8 8.258 8.614 -0.356 1
1 59 . 13 1 1 A 8 8 LYS C C 8 176.903 176.399 0.504 1
1 60 . 13 1 1 A 8 8 LYS N N 8 122.855 121.019 1.836 1
1 61 . 13 1 1 A 9 9 SER H H 9 8.197 8.922 -0.725 1
1 62 . 13 1 1 A 9 9 SER HA H 9 4.243 4.675 -0.432 1
1 65 . 13 1 1 A 9 9 SER C C 9 174.667 173.597 1.070 1
1 66 . 13 1 1 A 9 9 SER CA C 9 58.831 59.934 -1.103 1
1 67 . 13 1 1 A 9 9 SER CB C 9 63.763 65.403 -1.640 1
1 68 . 13 1 1 A 9 9 SER N N 9 116.772 119.608 -2.836 1
1 69 . 13 1 1 A 10 10 GLU H H 10 8.280 7.696 0.584 1
1 70 . 13 1 1 A 10 10 GLU HA H 10 4.201 4.876 -0.675 1
1 73 . 13 1 1 A 10 10 GLU C C 10 176.530 174.659 1.871 1
1 74 . 13 1 1 A 10 10 GLU CA C 10 56.610 55.194 1.416 1
1 75 . 13 1 1 A 10 10 GLU CB C 10 30.511 34.274 -3.763 1
1 76 . 13 1 1 A 10 10 GLU N N 10 123.218 117.275 5.943 1
1 77 . 13 1 1 A 11 11 VAL H H 11 8.032 8.565 -0.533 1
1 78 . 13 1 1 A 11 11 VAL HA H 11 3.888 4.745 -0.857 1
1 86 . 13 1 1 A 11 11 VAL C C 11 176.344 173.921 2.423 1
1 87 . 13 1 1 A 11 11 VAL CA C 11 62.778 60.203 2.575 1
1 88 . 13 1 1 A 11 11 VAL CB C 11 32.229 34.678 -2.449 1
1 91 . 13 1 1 A 11 11 VAL N N 11 121.505 119.986 1.519 1
1 92 . 13 1 1 A 12 12 ARG H H 12 8.269 8.592 -0.323 1
1 93 . 13 1 1 A 12 12 ARG HA H 12 4.195 4.641 -0.446 1
1 98 . 13 1 1 A 12 12 ARG C C 12 176.344 174.725 1.619 1
1 99 . 13 1 1 A 12 12 ARG CA C 12 56.173 55.215 0.958 1
1 100 . 13 1 1 A 12 12 ARG CB C 12 30.859 33.906 -3.047 1
1 102 . 13 1 1 A 12 12 ARG N N 12 124.717 126.569 -1.852 1
1 103 . 13 1 1 A 13 13 GLN H H 13 8.246 8.568 -0.322 1
1 104 . 13 1 1 A 13 13 GLN HA H 13 4.208 4.439 -0.231 1
1 111 . 13 1 1 A 13 13 GLN C C 13 175.971 176.724 -0.753 1
1 112 . 13 1 1 A 13 13 GLN CA C 13 55.916 54.709 1.207 1
1 113 . 13 1 1 A 13 13 GLN CB C 13 29.864 26.694 3.170 1
1 115 . 13 1 1 A 13 13 GLN N N 13 121.386 120.514 0.872 1
1 117 . 13 1 1 A 14 14 LYS H H 14 8.276 8.178 0.098 1
1 118 . 13 1 1 A 14 14 LYS HA H 14 4.149 4.058 0.091 1
1 127 . 13 1 1 A 14 14 LYS C C 14 175.971 176.528 -0.557 1
1 128 . 13 1 1 A 14 14 LYS CA C 14 56.518 58.852 -2.334 1
1 129 . 13 1 1 A 14 14 LYS CB C 14 33.073 32.110 0.963 1
1 133 . 13 1 1 A 14 14 LYS N N 14 123.021 121.300 1.721 1
1 134 . 13 1 1 A 15 15 THR H H 15 7.720 7.580 0.140 1
1 135 . 13 1 1 A 15 15 THR HA H 15 4.225 4.339 -0.114 1
1 140 . 13 1 1 A 15 15 THR C C 15 173.801 173.714 0.087 1
1 141 . 13 1 1 A 15 15 THR CA C 15 62.211 61.997 0.214 1
1 142 . 13 1 1 A 15 15 THR CB C 15 70.979 69.977 1.002 1
1 144 . 13 1 1 A 15 15 THR N N 15 114.171 116.013 -1.842 1
1 145 . 13 1 1 A 16 16 VAL H H 16 9.143 8.292 0.851 1
1 146 . 13 1 1 A 16 16 VAL HA H 16 4.004 4.772 -0.768 1
1 154 . 13 1 1 A 16 16 VAL C C 16 174.853 174.713 0.140 1
1 155 . 13 1 1 A 16 16 VAL CA C 16 62.452 61.271 1.181 1
1 156 . 13 1 1 A 16 16 VAL CB C 16 33.361 34.294 -0.933 1
1 159 . 13 1 1 A 16 16 VAL N N 16 126.087 124.567 1.520 1
1 160 . 13 1 1 A 17 17 VAL H H 17 8.364 8.647 -0.283 1
1 161 . 13 1 1 A 17 17 VAL HA H 17 4.653 4.797 -0.144 1
1 169 . 13 1 1 A 17 17 VAL C C 17 176.716 174.024 2.692 1
1 170 . 13 1 1 A 17 17 VAL CA C 17 61.419 60.617 0.802 1
1 171 . 13 1 1 A 17 17 VAL CB C 17 33.022 34.085 -1.063 1
1 174 . 13 1 1 A 17 17 VAL N N 17 127.119 124.515 2.604 1
1 175 . 13 1 1 A 18 18 ARG H H 18 9.038 8.839 0.199 1
1 176 . 13 1 1 A 18 18 ARG HA H 18 4.669 4.797 -0.128 1
1 181 . 13 1 1 A 18 18 ARG C C 18 174.480 173.982 0.498 1
1 182 . 13 1 1 A 18 18 ARG CA C 18 54.148 54.773 -0.625 1
1 183 . 13 1 1 A 18 18 ARG CB C 18 33.202 34.560 -1.358 1
1 185 . 13 1 1 A 18 18 ARG N N 18 126.432 129.562 -3.130 1
1 186 . 13 1 1 A 19 19 THR H H 19 8.536 8.570 -0.034 1
1 187 . 13 1 1 A 19 19 THR HA H 19 4.727 5.028 -0.301 1
1 192 . 13 1 1 A 19 19 THR C C 19 173.644 173.308 0.336 1
1 193 . 13 1 1 A 19 19 THR CA C 19 62.000 62.011 -0.011 1
1 194 . 13 1 1 A 19 19 THR CB C 19 69.919 70.476 -0.557 1
1 196 . 13 1 1 A 19 19 THR N N 19 118.670 120.146 -1.476 1
1 197 . 13 1 1 A 20 20 LEU H H 20 8.972 8.920 0.052 1
1 198 . 13 1 1 A 20 20 LEU HA H 20 4.430 4.828 -0.398 1
1 208 . 13 1 1 A 20 20 LEU C C 20 174.294 175.169 -0.875 1
1 209 . 13 1 1 A 20 20 LEU CA C 20 52.892 54.120 -1.228 1
1 210 . 13 1 1 A 20 20 LEU CB C 20 45.825 45.312 0.513 1
1 214 . 13 1 1 A 20 20 LEU N N 20 128.320 128.243 0.077 1
1 215 . 13 1 1 A 21 21 ARG H H 21 7.938 8.870 -0.932 1
1 216 . 13 1 1 A 21 21 ARG HA H 21 4.945 4.856 0.089 1
1 223 . 13 1 1 A 21 21 ARG C C 21 175.333 175.986 -0.653 1
1 224 . 13 1 1 A 21 21 ARG CA C 21 54.721 55.686 -0.965 1
1 225 . 13 1 1 A 21 21 ARG CB C 21 32.512 31.583 0.929 1
1 228 . 13 1 1 A 21 21 ARG N N 21 119.462 126.614 -7.152 1
1 229 . 13 1 1 A 22 22 PHE H H 22 9.021 9.040 -0.019 1
1 230 . 13 1 1 A 22 22 PHE HA H 22 4.777 5.070 -0.293 1
1 238 . 13 1 1 A 22 22 PHE C C 22 175.039 175.373 -0.334 1
1 239 . 13 1 1 A 22 22 PHE CA C 22 56.549 56.694 -0.145 1
1 240 . 13 1 1 A 22 22 PHE CB C 22 43.356 43.126 0.230 1
1 246 . 13 1 1 A 22 22 PHE N N 22 120.286 121.696 -1.410 1
1 247 . 13 1 1 A 23 23 SER H H 23 9.411 8.967 0.444 1
1 248 . 13 1 1 A 23 23 SER HA H 23 4.937 4.715 0.222 1
1 249 . 13 1 1 A 23 23 SER C C 23 177.544 174.690 2.854 1
1 250 . 13 1 1 A 23 23 SER CA C 23 56.727 57.326 -0.599 1
1 251 . 13 1 1 A 23 23 SER N N 23 119.420 118.559 0.861 1
1 252 . 13 1 1 A 24 24 PRO HA H 24 4.095 4.272 -0.177 1
1 259 . 13 1 1 A 24 24 PRO C C 24 179.325 178.808 0.517 1
1 260 . 13 1 1 A 24 24 PRO CA C 24 66.570 65.684 0.886 1
1 261 . 13 1 1 A 24 24 PRO CB C 24 31.862 31.762 0.100 1
1 264 . 13 1 1 A 25 25 VAL H H 25 7.563 7.613 -0.050 1
1 265 . 13 1 1 A 25 25 VAL HA H 25 3.779 3.778 0.001 1
1 273 . 13 1 1 A 25 25 VAL C C 25 178.846 177.817 1.029 1
1 274 . 13 1 1 A 25 25 VAL CA C 25 65.693 66.010 -0.317 1
1 275 . 13 1 1 A 25 25 VAL CB C 25 32.040 31.566 0.474 1
1 278 . 13 1 1 A 25 25 VAL N N 25 116.405 116.124 0.281 1
1 279 . 13 1 1 A 26 26 GLU H H 26 7.512 8.585 -1.073 1
1 280 . 13 1 1 A 26 26 GLU HA H 26 3.838 3.990 -0.152 1
1 285 . 13 1 1 A 26 26 GLU C C 26 178.766 178.582 0.184 1
1 286 . 13 1 1 A 26 26 GLU CA C 26 58.902 60.145 -1.243 1
1 287 . 13 1 1 A 26 26 GLU CB C 26 30.798 29.456 1.342 1
1 289 . 13 1 1 A 26 26 GLU N N 26 122.557 118.499 4.058 1
1 290 . 13 1 1 A 27 27 ASP H H 27 8.669 8.493 0.176 1
1 291 . 13 1 1 A 27 27 ASP HA H 27 3.900 4.223 -0.323 1
1 294 . 13 1 1 A 27 27 ASP C C 27 177.586 178.659 -1.073 1
1 295 . 13 1 1 A 27 27 ASP CA C 27 57.954 57.492 0.462 1
1 296 . 13 1 1 A 27 27 ASP CB C 27 43.617 41.949 1.668 1
1 297 . 13 1 1 A 27 27 ASP N N 27 118.012 119.922 -1.910 1
1 298 . 13 1 1 A 28 28 GLU H H 28 7.875 8.142 -0.267 1
1 299 . 13 1 1 A 28 28 GLU HA H 28 3.738 3.977 -0.239 1
1 302 . 13 1 1 A 28 28 GLU C C 28 178.837 179.380 -0.543 1
1 303 . 13 1 1 A 28 28 GLU CA C 28 59.710 59.309 0.401 1
1 304 . 13 1 1 A 28 28 GLU CB C 28 29.550 29.735 -0.185 1
1 305 . 13 1 1 A 28 28 GLU N N 28 118.040 119.034 -0.994 1
1 306 . 13 1 1 A 29 29 THR H H 29 7.662 7.992 -0.330 1
1 307 . 13 1 1 A 29 29 THR HA H 29 3.739 3.923 -0.184 1
1 312 . 13 1 1 A 29 29 THR C C 29 176.344 176.226 0.118 1
1 313 . 13 1 1 A 29 29 THR CA C 29 66.756 67.234 -0.478 1
1 314 . 13 1 1 A 29 29 THR CB C 29 68.663 68.986 -0.323 1
1 316 . 13 1 1 A 29 29 THR N N 29 116.635 117.370 -0.735 1
1 317 . 13 1 1 A 30 30 ILE H H 30 7.875 8.162 -0.287 1
1 318 . 13 1 1 A 30 30 ILE HA H 30 3.159 3.453 -0.294 1
1 328 . 13 1 1 A 30 30 ILE C C 30 176.903 178.038 -1.135 1
1 329 . 13 1 1 A 30 30 ILE CA C 30 65.390 65.305 0.085 1
1 330 . 13 1 1 A 30 30 ILE CB C 30 37.356 37.595 -0.239 1
1 334 . 13 1 1 A 30 30 ILE N N 30 121.804 121.110 0.694 1
1 335 . 13 1 1 A 31 31 ARG H H 31 8.502 8.172 0.330 1
1 336 . 13 1 1 A 31 31 ARG HA H 31 3.508 3.741 -0.233 1
1 343 . 13 1 1 A 31 31 ARG C C 31 179.262 178.621 0.641 1
1 344 . 13 1 1 A 31 31 ARG CA C 31 60.462 59.679 0.783 1
1 345 . 13 1 1 A 31 31 ARG CB C 31 30.075 29.519 0.556 1
1 348 . 13 1 1 A 31 31 ARG N N 31 119.175 120.264 -1.089 1
1 349 . 13 1 1 A 32 32 LYS H H 32 7.497 7.838 -0.341 1
1 350 . 13 1 1 A 32 32 LYS HA H 32 3.884 4.024 -0.140 1
1 357 . 13 1 1 A 32 32 LYS C C 32 178.207 179.501 -1.294 1
1 358 . 13 1 1 A 32 32 LYS CA C 32 59.176 59.543 -0.367 1
1 359 . 13 1 1 A 32 32 LYS CB C 32 32.020 32.277 -0.257 1
1 362 . 13 1 1 A 32 32 LYS N N 32 119.486 118.175 1.311 1
1 363 . 13 1 1 A 33 33 LYS H H 33 7.540 7.883 -0.343 1
1 366 . 13 1 1 A 33 33 LYS C C 33 179.884 178.832 1.052 1
1 367 . 13 1 1 A 33 33 LYS CB C 33 32.095 32.205 -0.110 1
1 368 . 13 1 1 A 33 33 LYS N N 33 119.050 119.576 -0.526 1
1 369 . 13 1 1 A 34 34 ALA H H 34 8.208 7.944 0.264 1
1 370 . 13 1 1 A 34 34 ALA HA H 34 3.448 3.907 -0.459 1
1 374 . 13 1 1 A 34 34 ALA C C 34 179.325 178.695 0.630 1
1 375 . 13 1 1 A 34 34 ALA CA C 34 55.826 55.105 0.721 1
1 376 . 13 1 1 A 34 34 ALA CB C 34 17.665 18.067 -0.402 1
1 377 . 13 1 1 A 34 34 ALA N N 34 122.909 121.837 1.072 1
1 378 . 13 1 1 A 35 35 GLU H H 35 7.997 7.984 0.013 1
1 379 . 13 1 1 A 35 35 GLU HA H 35 3.877 4.104 -0.227 1
1 382 . 13 1 1 A 35 35 GLU C C 35 181.002 178.345 2.657 1
1 383 . 13 1 1 A 35 35 GLU CA C 35 59.737 58.590 1.147 1
1 384 . 13 1 1 A 35 35 GLU CB C 35 29.381 28.965 0.416 1
1 385 . 13 1 1 A 35 35 GLU N N 35 119.482 118.406 1.076 1
1 386 . 13 1 1 A 36 36 ASP H H 36 8.405 8.257 0.148 1
1 387 . 13 1 1 A 36 36 ASP HA H 36 4.279 4.389 -0.110 1
1 390 . 13 1 1 A 36 36 ASP C C 36 177.834 178.079 -0.245 1
1 391 . 13 1 1 A 36 36 ASP CA C 36 57.178 57.508 -0.330 1
1 392 . 13 1 1 A 36 36 ASP CB C 36 40.502 41.667 -1.165 1
1 393 . 13 1 1 A 36 36 ASP N N 36 120.553 120.700 -0.147 1
1 394 . 13 1 1 A 37 37 SER H H 37 7.481 7.641 -0.160 1
1 395 . 13 1 1 A 37 37 SER HA H 37 4.450 4.531 -0.081 1
1 398 . 13 1 1 A 37 37 SER C C 37 174.294 174.833 -0.539 1
1 399 . 13 1 1 A 37 37 SER CA C 37 59.149 58.289 0.860 1
1 400 . 13 1 1 A 37 37 SER CB C 37 64.866 63.684 1.182 1
1 401 . 13 1 1 A 37 37 SER N N 37 112.666 112.924 -0.258 1
1 402 . 13 1 1 A 38 38 GLY H H 38 7.871 8.780 -0.909 1
1 403 . 13 1 1 A 38 38 GLY HA2 H 38 3.895 3.889 0.006 1
1 404 . 13 1 1 A 38 38 GLY HA3 H 38 3.772 3.897 -0.125 1
1 405 . 13 1 1 A 38 38 GLY C C 38 174.108 173.922 0.186 1
1 406 . 13 1 1 A 38 38 GLY CA C 38 46.433 45.731 0.702 1
1 407 . 13 1 1 A 38 38 GLY N N 38 110.893 109.970 0.923 1
1 408 . 13 1 1 A 39 39 LEU H H 39 7.850 7.527 0.323 1
1 409 . 13 1 1 A 39 39 LEU HA H 39 4.782 4.470 0.312 1
1 419 . 13 1 1 A 39 39 LEU C C 39 177.538 175.693 1.845 1
1 420 . 13 1 1 A 39 39 LEU CA C 39 53.141 54.123 -0.982 1
1 421 . 13 1 1 A 39 39 LEU CB C 39 47.097 43.211 3.886 1
1 425 . 13 1 1 A 39 39 LEU N N 39 119.947 122.996 -3.049 1
1 426 . 13 1 1 A 40 40 THR H H 40 7.654 8.672 -1.018 1
1 427 . 13 1 1 A 40 40 THR HA H 40 4.234 4.305 -0.071 1
1 432 . 13 1 1 A 40 40 THR C C 40 175.658 175.700 -0.042 1
1 433 . 13 1 1 A 40 40 THR CA C 40 61.188 62.378 -1.190 1
1 434 . 13 1 1 A 40 40 THR CB C 40 70.501 69.433 1.068 1
1 436 . 13 1 1 A 40 40 THR N N 40 109.345 120.005 -10.660 1
1 437 . 13 1 1 A 41 41 VAL H H 41 8.721 8.918 -0.197 1
1 438 . 13 1 1 A 41 41 VAL HA H 41 3.239 3.686 -0.447 1
1 446 . 13 1 1 A 41 41 VAL C C 41 178.021 178.038 -0.017 1
1 447 . 13 1 1 A 41 41 VAL CA C 41 68.189 65.443 2.746 1
1 448 . 13 1 1 A 41 41 VAL CB C 41 31.300 31.488 -0.188 1
1 451 . 13 1 1 A 41 41 VAL N N 41 121.470 125.479 -4.009 1
1 452 . 13 1 1 A 42 42 SER H H 42 8.424 8.291 0.133 1
1 453 . 13 1 1 A 42 42 SER HA H 42 3.742 4.162 -0.420 1
1 454 . 13 1 1 A 42 42 SER C C 42 175.785 176.752 -0.967 1
1 455 . 13 1 1 A 42 42 SER CA C 42 62.514 61.487 1.027 1
1 456 . 13 1 1 A 42 42 SER N N 42 113.251 116.424 -3.173 1
1 457 . 13 1 1 A 43 43 ALA H H 43 7.494 8.137 -0.643 1
1 458 . 13 1 1 A 43 43 ALA HA H 43 3.916 4.022 -0.106 1
1 462 . 13 1 1 A 43 43 ALA C C 43 179.884 179.279 0.605 1
1 463 . 13 1 1 A 43 43 ALA CA C 43 55.172 55.092 0.080 1
1 464 . 13 1 1 A 43 43 ALA CB C 43 19.490 18.434 1.056 1
1 465 . 13 1 1 A 43 43 ALA N N 43 123.328 123.018 0.310 1
1 466 . 13 1 1 A 44 44 TYR H H 44 8.662 8.451 0.211 1
1 467 . 13 1 1 A 44 44 TYR HA H 44 3.742 4.210 -0.468 1
1 474 . 13 1 1 A 44 44 TYR C C 44 177.593 177.410 0.183 1
1 475 . 13 1 1 A 44 44 TYR CA C 44 62.514 61.274 1.240 1
1 476 . 13 1 1 A 44 44 TYR CB C 44 39.211 38.588 0.623 1
1 481 . 13 1 1 A 44 44 TYR N N 44 119.611 119.637 -0.026 1
1 482 . 13 1 1 A 45 45 ILE H H 45 8.445 8.827 -0.382 1
1 483 . 13 1 1 A 45 45 ILE HA H 45 3.138 3.687 -0.549 1
1 493 . 13 1 1 A 45 45 ILE C C 45 177.462 177.969 -0.507 1
1 494 . 13 1 1 A 45 45 ILE CA C 45 66.393 64.870 1.523 1
1 495 . 13 1 1 A 45 45 ILE CB C 45 37.810 37.890 -0.080 1
1 499 . 13 1 1 A 45 45 ILE N N 45 118.859 121.211 -2.352 1
1 500 . 13 1 1 A 46 46 ARG H H 46 8.026 8.284 -0.258 1
1 501 . 13 1 1 A 46 46 ARG HA H 46 3.635 4.034 -0.399 1
1 506 . 13 1 1 A 46 46 ARG C C 46 177.462 178.334 -0.872 1
1 507 . 13 1 1 A 46 46 ARG CA C 46 60.816 58.890 1.926 1
1 508 . 13 1 1 A 46 46 ARG CB C 46 30.287 30.221 0.066 1
1 510 . 13 1 1 A 46 46 ARG N N 46 117.983 120.701 -2.718 1
1 511 . 13 1 1 A 47 47 ASN H H 47 8.026 8.420 -0.394 1
1 512 . 13 1 1 A 47 47 ASN HA H 47 4.078 4.380 -0.302 1
1 517 . 13 1 1 A 47 47 ASN C C 47 177.648 177.202 0.446 1
1 518 . 13 1 1 A 47 47 ASN CA C 47 56.329 56.675 -0.346 1
1 519 . 13 1 1 A 47 47 ASN CB C 47 38.112 39.325 -1.213 1
1 520 . 13 1 1 A 47 47 ASN N N 47 115.323 117.983 -2.660 1
1 522 . 13 1 1 A 48 48 ALA H H 48 7.809 8.238 -0.429 1
1 523 . 13 1 1 A 48 48 ALA HA H 48 3.792 3.887 -0.095 1
1 527 . 13 1 1 A 48 48 ALA C C 48 179.325 180.240 -0.915 1
1 528 . 13 1 1 A 48 48 ALA CA C 48 54.393 54.708 -0.315 1
1 529 . 13 1 1 A 48 48 ALA CB C 48 16.905 17.884 -0.979 1
1 530 . 13 1 1 A 48 48 ALA N N 48 121.450 121.305 0.145 1
1 531 . 13 1 1 A 49 49 ALA H H 49 7.863 7.923 -0.060 1
1 532 . 13 1 1 A 49 49 ALA HA H 49 3.821 4.065 -0.244 1
1 536 . 13 1 1 A 49 49 ALA C C 49 178.503 179.240 -0.737 1
1 537 . 13 1 1 A 49 49 ALA CA C 49 54.016 54.712 -0.696 1
1 538 . 13 1 1 A 49 49 ALA CB C 49 19.693 18.348 1.345 1
1 539 . 13 1 1 A 49 49 ALA N N 49 117.188 120.530 -3.342 1
1 540 . 13 1 1 A 50 50 LEU H H 50 7.610 7.377 0.233 1
1 541 . 13 1 1 A 50 50 LEU HA H 50 4.062 4.215 -0.153 1
1 551 . 13 1 1 A 50 50 LEU C C 50 176.716 177.612 -0.896 1
1 552 . 13 1 1 A 50 50 LEU CA C 50 55.766 56.542 -0.776 1
1 553 . 13 1 1 A 50 50 LEU CB C 50 43.320 42.749 0.571 1
1 557 . 13 1 1 A 50 50 LEU N N 50 116.113 117.223 -1.110 1
1 6 . 14 1 1 A 2 2 ASP HA H 2 4.569 5.227 -0.658 1
1 9 . 14 1 1 A 2 2 ASP C C 2 176.530 175.222 1.308 1
1 10 . 14 1 1 A 2 2 ASP CA C 2 54.589 52.825 1.764 1
1 11 . 14 1 1 A 2 2 ASP CB C 2 41.462 44.880 -3.418 1
1 12 . 14 1 1 A 3 3 SER H H 3 8.267 9.088 -0.821 1
1 13 . 14 1 1 A 3 3 SER HA H 3 4.276 4.531 -0.255 1
1 16 . 14 1 1 A 3 3 SER C C 3 174.667 174.422 0.245 1
1 17 . 14 1 1 A 3 3 SER CA C 3 58.605 58.696 -0.091 1
1 18 . 14 1 1 A 3 3 SER CB C 3 63.763 64.011 -0.248 1
1 19 . 14 1 1 A 3 3 SER N N 3 116.529 119.461 -2.932 1
1 20 . 14 1 1 A 4 4 ALA H H 4 8.196 8.769 -0.573 1
1 21 . 14 1 1 A 4 4 ALA HA H 4 4.179 4.631 -0.452 1
1 25 . 14 1 1 A 4 4 ALA C C 4 178.021 176.791 1.230 1
1 26 . 14 1 1 A 4 4 ALA CA C 4 52.977 52.466 0.511 1
1 27 . 14 1 1 A 4 4 ALA CB C 4 19.202 21.243 -2.041 1
1 28 . 14 1 1 A 4 4 ALA N N 4 125.751 124.079 1.672 1
1 29 . 14 1 1 A 5 5 VAL H H 5 7.811 7.530 0.281 1
1 30 . 14 1 1 A 5 5 VAL HA H 5 3.912 4.327 -0.415 1
1 38 . 14 1 1 A 5 5 VAL C C 5 176.344 174.424 1.920 1
1 39 . 14 1 1 A 5 5 VAL CA C 5 62.506 59.128 3.378 1
1 40 . 14 1 1 A 5 5 VAL CB C 5 32.588 34.723 -2.135 1
1 43 . 14 1 1 A 5 5 VAL N N 5 118.872 113.236 5.636 1
1 44 . 14 1 1 A 6 6 ARG H H 6 8.146 8.800 -0.654 1
1 45 . 14 1 1 A 6 6 ARG HA H 6 4.195 4.587 -0.392 1
1 50 . 14 1 1 A 6 6 ARG C C 6 176.344 175.802 0.542 1
1 51 . 14 1 1 A 6 6 ARG CA C 6 56.173 56.788 -0.615 1
1 52 . 14 1 1 A 6 6 ARG CB C 6 30.859 32.733 -1.874 1
1 54 . 14 1 1 A 6 6 ARG N N 6 124.824 121.398 3.426 1
1 55 . 14 1 1 A 7 7 LYS H H 7 8.207 7.798 0.409 1
1 56 . 14 1 1 A 7 7 LYS C C 7 176.792 175.082 1.710 1
1 57 . 14 1 1 A 7 7 LYS N N 7 123.109 116.785 6.324 1
1 58 . 14 1 1 A 8 8 LYS H H 8 8.258 8.574 -0.316 1
1 59 . 14 1 1 A 8 8 LYS C C 8 176.903 175.294 1.609 1
1 60 . 14 1 1 A 8 8 LYS N N 8 122.855 120.493 2.362 1
1 61 . 14 1 1 A 9 9 SER H H 9 8.197 8.658 -0.461 1
1 62 . 14 1 1 A 9 9 SER HA H 9 4.243 4.835 -0.592 1
1 65 . 14 1 1 A 9 9 SER C C 9 174.667 174.511 0.156 1
1 66 . 14 1 1 A 9 9 SER CA C 9 58.831 57.217 1.614 1
1 67 . 14 1 1 A 9 9 SER CB C 9 63.763 66.584 -2.821 1
1 68 . 14 1 1 A 9 9 SER N N 9 116.772 113.458 3.314 1
1 69 . 14 1 1 A 10 10 GLU H H 10 8.280 8.833 -0.553 1
1 70 . 14 1 1 A 10 10 GLU HA H 10 4.201 4.585 -0.384 1
1 73 . 14 1 1 A 10 10 GLU C C 10 176.530 177.155 -0.625 1
1 74 . 14 1 1 A 10 10 GLU CA C 10 56.610 55.951 0.659 1
1 75 . 14 1 1 A 10 10 GLU CB C 10 30.511 30.539 -0.028 1
1 76 . 14 1 1 A 10 10 GLU N N 10 123.218 122.096 1.122 1
1 77 . 14 1 1 A 11 11 VAL H H 11 8.032 8.007 0.025 1
1 78 . 14 1 1 A 11 11 VAL HA H 11 3.888 4.292 -0.404 1
1 86 . 14 1 1 A 11 11 VAL C C 11 176.344 175.762 0.582 1
1 87 . 14 1 1 A 11 11 VAL CA C 11 62.778 61.546 1.232 1
1 88 . 14 1 1 A 11 11 VAL CB C 11 32.229 32.802 -0.573 1
1 91 . 14 1 1 A 11 11 VAL N N 11 121.505 119.194 2.311 1
1 92 . 14 1 1 A 12 12 ARG H H 12 8.269 7.516 0.753 1
1 93 . 14 1 1 A 12 12 ARG HA H 12 4.195 4.862 -0.667 1
1 98 . 14 1 1 A 12 12 ARG C C 12 176.344 174.541 1.803 1
1 99 . 14 1 1 A 12 12 ARG CA C 12 56.173 54.804 1.369 1
1 100 . 14 1 1 A 12 12 ARG CB C 12 30.859 32.966 -2.107 1
1 102 . 14 1 1 A 12 12 ARG N N 12 124.717 122.782 1.935 1
1 103 . 14 1 1 A 13 13 GLN H H 13 8.246 8.759 -0.513 1
1 104 . 14 1 1 A 13 13 GLN HA H 13 4.208 4.386 -0.178 1
1 111 . 14 1 1 A 13 13 GLN C C 13 175.971 177.043 -1.072 1
1 112 . 14 1 1 A 13 13 GLN CA C 13 55.916 55.993 -0.077 1
1 113 . 14 1 1 A 13 13 GLN CB C 13 29.864 28.262 1.602 1
1 115 . 14 1 1 A 13 13 GLN N N 13 121.386 125.415 -4.029 1
1 117 . 14 1 1 A 14 14 LYS H H 14 8.276 8.496 -0.220 1
1 118 . 14 1 1 A 14 14 LYS HA H 14 4.149 4.035 0.114 1
1 127 . 14 1 1 A 14 14 LYS C C 14 175.971 176.676 -0.705 1
1 128 . 14 1 1 A 14 14 LYS CA C 14 56.518 58.688 -2.170 1
1 129 . 14 1 1 A 14 14 LYS CB C 14 33.073 32.060 1.013 1
1 133 . 14 1 1 A 14 14 LYS N N 14 123.021 121.228 1.793 1
1 134 . 14 1 1 A 15 15 THR H H 15 7.720 7.597 0.123 1
1 135 . 14 1 1 A 15 15 THR HA H 15 4.225 4.349 -0.124 1
1 140 . 14 1 1 A 15 15 THR C C 15 173.801 173.616 0.185 1
1 141 . 14 1 1 A 15 15 THR CA C 15 62.211 61.394 0.817 1
1 142 . 14 1 1 A 15 15 THR CB C 15 70.979 69.918 1.061 1
1 144 . 14 1 1 A 15 15 THR N N 15 114.171 116.029 -1.858 1
1 145 . 14 1 1 A 16 16 VAL H H 16 9.143 8.376 0.767 1
1 146 . 14 1 1 A 16 16 VAL HA H 16 4.004 4.993 -0.989 1
1 154 . 14 1 1 A 16 16 VAL C C 16 174.853 174.725 0.128 1
1 155 . 14 1 1 A 16 16 VAL CA C 16 62.452 60.675 1.777 1
1 156 . 14 1 1 A 16 16 VAL CB C 16 33.361 35.332 -1.971 1
1 159 . 14 1 1 A 16 16 VAL N N 16 126.087 122.223 3.864 1
1 160 . 14 1 1 A 17 17 VAL H H 17 8.364 8.914 -0.550 1
1 161 . 14 1 1 A 17 17 VAL HA H 17 4.653 4.719 -0.066 1
1 169 . 14 1 1 A 17 17 VAL C C 17 176.716 174.046 2.670 1
1 170 . 14 1 1 A 17 17 VAL CA C 17 61.419 60.477 0.942 1
1 171 . 14 1 1 A 17 17 VAL CB C 17 33.022 33.597 -0.575 1
1 174 . 14 1 1 A 17 17 VAL N N 17 127.119 126.401 0.718 1
1 175 . 14 1 1 A 18 18 ARG H H 18 9.038 8.897 0.141 1
1 176 . 14 1 1 A 18 18 ARG HA H 18 4.669 4.970 -0.301 1
1 181 . 14 1 1 A 18 18 ARG C C 18 174.480 175.217 -0.737 1
1 182 . 14 1 1 A 18 18 ARG CA C 18 54.148 53.817 0.331 1
1 183 . 14 1 1 A 18 18 ARG CB C 18 33.202 34.307 -1.105 1
1 185 . 14 1 1 A 18 18 ARG N N 18 126.432 128.251 -1.819 1
1 186 . 14 1 1 A 19 19 THR H H 19 8.536 8.694 -0.158 1
1 187 . 14 1 1 A 19 19 THR HA H 19 4.727 4.655 0.072 1
1 192 . 14 1 1 A 19 19 THR C C 19 173.644 173.105 0.539 1
1 193 . 14 1 1 A 19 19 THR CA C 19 62.000 61.889 0.111 1
1 194 . 14 1 1 A 19 19 THR CB C 19 69.919 67.754 2.165 1
1 196 . 14 1 1 A 19 19 THR N N 19 118.670 116.604 2.066 1
1 197 . 14 1 1 A 20 20 LEU H H 20 8.972 8.639 0.333 1
1 198 . 14 1 1 A 20 20 LEU HA H 20 4.430 4.741 -0.311 1
1 208 . 14 1 1 A 20 20 LEU C C 20 174.294 175.010 -0.716 1
1 209 . 14 1 1 A 20 20 LEU CA C 20 52.892 54.286 -1.394 1
1 210 . 14 1 1 A 20 20 LEU CB C 20 45.825 42.195 3.630 1
1 214 . 14 1 1 A 20 20 LEU N N 20 128.320 129.787 -1.467 1
1 215 . 14 1 1 A 21 21 ARG H H 21 7.938 8.471 -0.533 1
1 216 . 14 1 1 A 21 21 ARG HA H 21 4.945 4.523 0.422 1
1 223 . 14 1 1 A 21 21 ARG C C 21 175.333 176.079 -0.746 1
1 224 . 14 1 1 A 21 21 ARG CA C 21 54.721 56.541 -1.820 1
1 225 . 14 1 1 A 21 21 ARG CB C 21 32.512 31.098 1.414 1
1 228 . 14 1 1 A 21 21 ARG N N 21 119.462 126.436 -6.974 1
1 229 . 14 1 1 A 22 22 PHE H H 22 9.021 8.789 0.232 1
1 230 . 14 1 1 A 22 22 PHE HA H 22 4.777 5.059 -0.282 1
1 238 . 14 1 1 A 22 22 PHE C C 22 175.039 174.854 0.185 1
1 239 . 14 1 1 A 22 22 PHE CA C 22 56.549 56.900 -0.351 1
1 240 . 14 1 1 A 22 22 PHE CB C 22 43.356 43.494 -0.138 1
1 246 . 14 1 1 A 22 22 PHE N N 22 120.286 120.532 -0.246 1
1 247 . 14 1 1 A 23 23 SER H H 23 9.411 8.998 0.413 1
1 248 . 14 1 1 A 23 23 SER HA H 23 4.937 4.809 0.128 1
1 249 . 14 1 1 A 23 23 SER C C 23 177.544 174.708 2.836 1
1 250 . 14 1 1 A 23 23 SER CA C 23 56.727 56.966 -0.239 1
1 251 . 14 1 1 A 23 23 SER N N 23 119.420 119.217 0.203 1
1 252 . 14 1 1 A 24 24 PRO HA H 24 4.095 4.403 -0.308 1
1 259 . 14 1 1 A 24 24 PRO C C 24 179.325 178.516 0.809 1
1 260 . 14 1 1 A 24 24 PRO CA C 24 66.570 65.031 1.539 1
1 261 . 14 1 1 A 24 24 PRO CB C 24 31.862 31.990 -0.128 1
1 264 . 14 1 1 A 25 25 VAL H H 25 7.563 7.353 0.210 1
1 265 . 14 1 1 A 25 25 VAL HA H 25 3.779 3.813 -0.034 1
1 273 . 14 1 1 A 25 25 VAL C C 25 178.846 177.930 0.916 1
1 274 . 14 1 1 A 25 25 VAL CA C 25 65.693 65.498 0.195 1
1 275 . 14 1 1 A 25 25 VAL CB C 25 32.040 31.517 0.523 1
1 278 . 14 1 1 A 25 25 VAL N N 25 116.405 116.648 -0.243 1
1 279 . 14 1 1 A 26 26 GLU H H 26 7.512 8.414 -0.902 1
1 280 . 14 1 1 A 26 26 GLU HA H 26 3.838 4.026 -0.188 1
1 285 . 14 1 1 A 26 26 GLU C C 26 178.766 178.841 -0.075 1
1 286 . 14 1 1 A 26 26 GLU CA C 26 58.902 59.910 -1.008 1
1 287 . 14 1 1 A 26 26 GLU CB C 26 30.798 29.537 1.261 1
1 289 . 14 1 1 A 26 26 GLU N N 26 122.557 118.963 3.594 1
1 290 . 14 1 1 A 27 27 ASP H H 27 8.669 8.719 -0.050 1
1 291 . 14 1 1 A 27 27 ASP HA H 27 3.900 4.239 -0.339 1
1 294 . 14 1 1 A 27 27 ASP C C 27 177.586 178.370 -0.784 1
1 295 . 14 1 1 A 27 27 ASP CA C 27 57.954 57.733 0.221 1
1 296 . 14 1 1 A 27 27 ASP CB C 27 43.617 42.161 1.456 1
1 297 . 14 1 1 A 27 27 ASP N N 27 118.012 119.794 -1.782 1
1 298 . 14 1 1 A 28 28 GLU H H 28 7.875 8.131 -0.256 1
1 299 . 14 1 1 A 28 28 GLU HA H 28 3.738 3.980 -0.242 1
1 302 . 14 1 1 A 28 28 GLU C C 28 178.837 178.836 0.001 1
1 303 . 14 1 1 A 28 28 GLU CA C 28 59.710 59.232 0.478 1
1 304 . 14 1 1 A 28 28 GLU CB C 28 29.550 29.676 -0.126 1
1 305 . 14 1 1 A 28 28 GLU N N 28 118.040 119.016 -0.976 1
1 306 . 14 1 1 A 29 29 THR H H 29 7.662 8.027 -0.365 1
1 307 . 14 1 1 A 29 29 THR HA H 29 3.739 3.929 -0.190 1
1 312 . 14 1 1 A 29 29 THR C C 29 176.344 176.203 0.141 1
1 313 . 14 1 1 A 29 29 THR CA C 29 66.756 67.236 -0.480 1
1 314 . 14 1 1 A 29 29 THR CB C 29 68.663 68.939 -0.276 1
1 316 . 14 1 1 A 29 29 THR N N 29 116.635 115.919 0.716 1
1 317 . 14 1 1 A 30 30 ILE H H 30 7.875 8.406 -0.531 1
1 318 . 14 1 1 A 30 30 ILE HA H 30 3.159 3.404 -0.245 1
1 328 . 14 1 1 A 30 30 ILE C C 30 176.903 178.054 -1.151 1
1 329 . 14 1 1 A 30 30 ILE CA C 30 65.390 65.214 0.176 1
1 330 . 14 1 1 A 30 30 ILE CB C 30 37.356 37.620 -0.264 1
1 334 . 14 1 1 A 30 30 ILE N N 30 121.804 121.076 0.728 1
1 335 . 14 1 1 A 31 31 ARG H H 31 8.502 8.060 0.442 1
1 336 . 14 1 1 A 31 31 ARG HA H 31 3.508 3.721 -0.213 1
1 343 . 14 1 1 A 31 31 ARG C C 31 179.262 178.582 0.680 1
1 344 . 14 1 1 A 31 31 ARG CA C 31 60.462 59.585 0.877 1
1 345 . 14 1 1 A 31 31 ARG CB C 31 30.075 29.465 0.610 1
1 348 . 14 1 1 A 31 31 ARG N N 31 119.175 119.975 -0.800 1
1 349 . 14 1 1 A 32 32 LYS H H 32 7.497 7.631 -0.134 1
1 350 . 14 1 1 A 32 32 LYS HA H 32 3.884 4.022 -0.138 1
1 357 . 14 1 1 A 32 32 LYS C C 32 178.207 178.681 -0.474 1
1 358 . 14 1 1 A 32 32 LYS CA C 32 59.176 59.530 -0.354 1
1 359 . 14 1 1 A 32 32 LYS CB C 32 32.020 32.289 -0.269 1
1 362 . 14 1 1 A 32 32 LYS N N 32 119.486 118.233 1.253 1
1 363 . 14 1 1 A 33 33 LYS H H 33 7.540 8.132 -0.592 1
1 366 . 14 1 1 A 33 33 LYS C C 33 179.884 178.625 1.259 1
1 367 . 14 1 1 A 33 33 LYS CB C 33 32.095 32.088 0.007 1
1 368 . 14 1 1 A 33 33 LYS N N 33 119.050 120.309 -1.259 1
1 369 . 14 1 1 A 34 34 ALA H H 34 8.208 8.059 0.149 1
1 370 . 14 1 1 A 34 34 ALA HA H 34 3.448 3.919 -0.471 1
1 374 . 14 1 1 A 34 34 ALA C C 34 179.325 178.821 0.504 1
1 375 . 14 1 1 A 34 34 ALA CA C 34 55.826 55.145 0.681 1
1 376 . 14 1 1 A 34 34 ALA CB C 34 17.665 18.087 -0.422 1
1 377 . 14 1 1 A 34 34 ALA N N 34 122.909 121.315 1.594 1
1 378 . 14 1 1 A 35 35 GLU H H 35 7.997 8.259 -0.262 1
1 379 . 14 1 1 A 35 35 GLU HA H 35 3.877 4.003 -0.126 1
1 382 . 14 1 1 A 35 35 GLU C C 35 181.002 178.405 2.597 1
1 383 . 14 1 1 A 35 35 GLU CA C 35 59.737 59.596 0.141 1
1 384 . 14 1 1 A 35 35 GLU CB C 35 29.381 29.056 0.325 1
1 385 . 14 1 1 A 35 35 GLU N N 35 119.482 118.463 1.019 1
1 386 . 14 1 1 A 36 36 ASP H H 36 8.405 8.326 0.079 1
1 387 . 14 1 1 A 36 36 ASP HA H 36 4.279 4.409 -0.130 1
1 390 . 14 1 1 A 36 36 ASP C C 36 177.834 178.067 -0.233 1
1 391 . 14 1 1 A 36 36 ASP CA C 36 57.178 57.319 -0.141 1
1 392 . 14 1 1 A 36 36 ASP CB C 36 40.502 41.188 -0.686 1
1 393 . 14 1 1 A 36 36 ASP N N 36 120.553 120.128 0.425 1
1 394 . 14 1 1 A 37 37 SER H H 37 7.481 7.972 -0.491 1
1 395 . 14 1 1 A 37 37 SER HA H 37 4.450 4.533 -0.083 1
1 398 . 14 1 1 A 37 37 SER C C 37 174.294 174.750 -0.456 1
1 399 . 14 1 1 A 37 37 SER CA C 37 59.149 58.310 0.839 1
1 400 . 14 1 1 A 37 37 SER CB C 37 64.866 63.739 1.127 1
1 401 . 14 1 1 A 37 37 SER N N 37 112.666 112.972 -0.306 1
1 402 . 14 1 1 A 38 38 GLY H H 38 7.871 8.225 -0.354 1
1 403 . 14 1 1 A 38 38 GLY HA2 H 38 3.895 3.963 -0.068 1
1 404 . 14 1 1 A 38 38 GLY HA3 H 38 3.772 3.970 -0.198 1
1 405 . 14 1 1 A 38 38 GLY C C 38 174.108 174.120 -0.012 1
1 406 . 14 1 1 A 38 38 GLY CA C 38 46.433 46.306 0.127 1
1 407 . 14 1 1 A 38 38 GLY N N 38 110.893 110.258 0.635 1
1 408 . 14 1 1 A 39 39 LEU H H 39 7.850 7.697 0.153 1
1 409 . 14 1 1 A 39 39 LEU HA H 39 4.782 4.669 0.113 1
1 419 . 14 1 1 A 39 39 LEU C C 39 177.538 175.797 1.741 1
1 420 . 14 1 1 A 39 39 LEU CA C 39 53.141 54.120 -0.979 1
1 421 . 14 1 1 A 39 39 LEU CB C 39 47.097 44.732 2.365 1
1 425 . 14 1 1 A 39 39 LEU N N 39 119.947 121.049 -1.102 1
1 426 . 14 1 1 A 40 40 THR H H 40 7.654 8.722 -1.068 1
1 427 . 14 1 1 A 40 40 THR HA H 40 4.234 4.385 -0.151 1
1 432 . 14 1 1 A 40 40 THR C C 40 175.658 175.758 -0.100 1
1 433 . 14 1 1 A 40 40 THR CA C 40 61.188 62.490 -1.302 1
1 434 . 14 1 1 A 40 40 THR CB C 40 70.501 69.462 1.039 1
1 436 . 14 1 1 A 40 40 THR N N 40 109.345 119.862 -10.517 1
1 437 . 14 1 1 A 41 41 VAL H H 41 8.721 8.746 -0.025 1
1 438 . 14 1 1 A 41 41 VAL HA H 41 3.239 3.635 -0.396 1
1 446 . 14 1 1 A 41 41 VAL C C 41 178.021 177.510 0.511 1
1 447 . 14 1 1 A 41 41 VAL CA C 41 68.189 66.714 1.475 1
1 448 . 14 1 1 A 41 41 VAL CB C 41 31.300 31.724 -0.424 1
1 451 . 14 1 1 A 41 41 VAL N N 41 121.470 127.281 -5.811 1
1 452 . 14 1 1 A 42 42 SER H H 42 8.424 8.306 0.118 1
1 453 . 14 1 1 A 42 42 SER HA H 42 3.742 4.203 -0.461 1
1 454 . 14 1 1 A 42 42 SER C C 42 175.785 177.251 -1.466 1
1 455 . 14 1 1 A 42 42 SER CA C 42 62.514 61.345 1.169 1
1 456 . 14 1 1 A 42 42 SER N N 42 113.251 113.917 -0.666 1
1 457 . 14 1 1 A 43 43 ALA H H 43 7.494 7.767 -0.273 1
1 458 . 14 1 1 A 43 43 ALA HA H 43 3.916 4.080 -0.164 1
1 462 . 14 1 1 A 43 43 ALA C C 43 179.884 179.247 0.637 1
1 463 . 14 1 1 A 43 43 ALA CA C 43 55.172 54.851 0.321 1
1 464 . 14 1 1 A 43 43 ALA CB C 43 19.490 18.620 0.870 1
1 465 . 14 1 1 A 43 43 ALA N N 43 123.328 123.100 0.228 1
1 466 . 14 1 1 A 44 44 TYR H H 44 8.662 8.645 0.017 1
1 467 . 14 1 1 A 44 44 TYR HA H 44 3.742 4.230 -0.488 1
1 474 . 14 1 1 A 44 44 TYR C C 44 177.593 177.503 0.090 1
1 475 . 14 1 1 A 44 44 TYR CA C 44 62.514 61.273 1.241 1
1 476 . 14 1 1 A 44 44 TYR CB C 44 39.211 38.551 0.660 1
1 481 . 14 1 1 A 44 44 TYR N N 44 119.611 119.730 -0.119 1
1 482 . 14 1 1 A 45 45 ILE H H 45 8.445 8.856 -0.411 1
1 483 . 14 1 1 A 45 45 ILE HA H 45 3.138 3.697 -0.559 1
1 493 . 14 1 1 A 45 45 ILE C C 45 177.462 177.967 -0.505 1
1 494 . 14 1 1 A 45 45 ILE CA C 45 66.393 65.013 1.380 1
1 495 . 14 1 1 A 45 45 ILE CB C 45 37.810 37.962 -0.152 1
1 499 . 14 1 1 A 45 45 ILE N N 45 118.859 121.297 -2.438 1
1 500 . 14 1 1 A 46 46 ARG H H 46 8.026 8.254 -0.228 1
1 501 . 14 1 1 A 46 46 ARG HA H 46 3.635 4.033 -0.398 1
1 506 . 14 1 1 A 46 46 ARG C C 46 177.462 178.344 -0.882 1
1 507 . 14 1 1 A 46 46 ARG CA C 46 60.816 58.925 1.891 1
1 508 . 14 1 1 A 46 46 ARG CB C 46 30.287 30.057 0.230 1
1 510 . 14 1 1 A 46 46 ARG N N 46 117.983 120.692 -2.709 1
1 511 . 14 1 1 A 47 47 ASN H H 47 8.026 8.700 -0.674 1
1 512 . 14 1 1 A 47 47 ASN HA H 47 4.078 4.340 -0.262 1
1 517 . 14 1 1 A 47 47 ASN C C 47 177.648 177.225 0.423 1
1 518 . 14 1 1 A 47 47 ASN CA C 47 56.329 56.685 -0.356 1
1 519 . 14 1 1 A 47 47 ASN CB C 47 38.112 39.533 -1.421 1
1 520 . 14 1 1 A 47 47 ASN N N 47 115.323 118.036 -2.713 1
1 522 . 14 1 1 A 48 48 ALA H H 48 7.809 8.125 -0.316 1
1 523 . 14 1 1 A 48 48 ALA HA H 48 3.792 3.873 -0.081 1
1 527 . 14 1 1 A 48 48 ALA C C 48 179.325 180.282 -0.957 1
1 528 . 14 1 1 A 48 48 ALA CA C 48 54.393 54.730 -0.337 1
1 529 . 14 1 1 A 48 48 ALA CB C 48 16.905 17.950 -1.045 1
1 530 . 14 1 1 A 48 48 ALA N N 48 121.450 121.205 0.245 1
1 531 . 14 1 1 A 49 49 ALA H H 49 7.863 7.808 0.055 1
1 532 . 14 1 1 A 49 49 ALA HA H 49 3.821 4.049 -0.228 1
1 536 . 14 1 1 A 49 49 ALA C C 49 178.503 178.527 -0.024 1
1 537 . 14 1 1 A 49 49 ALA CA C 49 54.016 54.448 -0.432 1
1 538 . 14 1 1 A 49 49 ALA CB C 49 19.693 18.174 1.519 1
1 539 . 14 1 1 A 49 49 ALA N N 49 117.188 120.087 -2.899 1
1 540 . 14 1 1 A 50 50 LEU H H 50 7.610 7.310 0.300 1
1 541 . 14 1 1 A 50 50 LEU HA H 50 4.062 4.309 -0.247 1
1 551 . 14 1 1 A 50 50 LEU C C 50 176.716 177.556 -0.840 1
1 552 . 14 1 1 A 50 50 LEU CA C 50 55.766 55.477 0.289 1
1 553 . 14 1 1 A 50 50 LEU CB C 50 43.320 42.799 0.521 1
1 557 . 14 1 1 A 50 50 LEU N N 50 116.113 114.932 1.181 1
1 6 . 15 1 1 A 2 2 ASP HA H 2 4.569 4.429 0.140 1
1 9 . 15 1 1 A 2 2 ASP C C 2 176.530 177.978 -1.448 1
1 10 . 15 1 1 A 2 2 ASP CA C 2 54.589 57.328 -2.739 1
1 11 . 15 1 1 A 2 2 ASP CB C 2 41.462 40.454 1.008 1
1 12 . 15 1 1 A 3 3 SER H H 3 8.267 8.328 -0.061 1
1 13 . 15 1 1 A 3 3 SER HA H 3 4.276 4.429 -0.153 1
1 16 . 15 1 1 A 3 3 SER C C 3 174.667 174.627 0.040 1
1 17 . 15 1 1 A 3 3 SER CA C 3 58.605 59.659 -1.054 1
1 18 . 15 1 1 A 3 3 SER CB C 3 63.763 62.652 1.111 1
1 19 . 15 1 1 A 3 3 SER N N 3 116.529 115.200 1.329 1
1 20 . 15 1 1 A 4 4 ALA H H 4 8.196 8.145 0.051 1
1 21 . 15 1 1 A 4 4 ALA HA H 4 4.179 3.974 0.205 1
1 25 . 15 1 1 A 4 4 ALA C C 4 178.021 179.156 -1.135 1
1 26 . 15 1 1 A 4 4 ALA CA C 4 52.977 55.118 -2.141 1
1 27 . 15 1 1 A 4 4 ALA CB C 4 19.202 18.336 0.866 1
1 28 . 15 1 1 A 4 4 ALA N N 4 125.751 124.503 1.248 1
1 29 . 15 1 1 A 5 5 VAL H H 5 7.811 7.932 -0.121 1
1 30 . 15 1 1 A 5 5 VAL HA H 5 3.912 3.819 0.093 1
1 38 . 15 1 1 A 5 5 VAL C C 5 176.344 178.081 -1.737 1
1 39 . 15 1 1 A 5 5 VAL CA C 5 62.506 65.731 -3.225 1
1 40 . 15 1 1 A 5 5 VAL CB C 5 32.588 31.566 1.022 1
1 43 . 15 1 1 A 5 5 VAL N N 5 118.872 116.292 2.580 1
1 44 . 15 1 1 A 6 6 ARG H H 6 8.146 7.723 0.423 1
1 45 . 15 1 1 A 6 6 ARG HA H 6 4.195 4.220 -0.025 1
1 50 . 15 1 1 A 6 6 ARG C C 6 176.344 177.652 -1.308 1
1 51 . 15 1 1 A 6 6 ARG CA C 6 56.173 58.285 -2.112 1
1 52 . 15 1 1 A 6 6 ARG CB C 6 30.859 29.830 1.029 1
1 54 . 15 1 1 A 6 6 ARG N N 6 124.824 121.625 3.199 1
1 55 . 15 1 1 A 7 7 LYS H H 7 8.207 7.735 0.472 1
1 56 . 15 1 1 A 7 7 LYS C C 7 176.792 176.013 0.779 1
1 57 . 15 1 1 A 7 7 LYS N N 7 123.109 114.145 8.964 1
1 58 . 15 1 1 A 8 8 LYS H H 8 8.258 7.473 0.785 1
1 59 . 15 1 1 A 8 8 LYS C C 8 176.903 174.161 2.742 1
1 60 . 15 1 1 A 8 8 LYS N N 8 122.855 120.015 2.840 1
1 61 . 15 1 1 A 9 9 SER H H 9 8.197 8.993 -0.796 1
1 62 . 15 1 1 A 9 9 SER HA H 9 4.243 5.085 -0.842 1
1 65 . 15 1 1 A 9 9 SER C C 9 174.667 173.175 1.492 1
1 66 . 15 1 1 A 9 9 SER CA C 9 58.831 57.254 1.577 1
1 67 . 15 1 1 A 9 9 SER CB C 9 63.763 66.516 -2.753 1
1 68 . 15 1 1 A 9 9 SER N N 9 116.772 118.752 -1.980 1
1 69 . 15 1 1 A 10 10 GLU H H 10 8.280 8.476 -0.196 1
1 70 . 15 1 1 A 10 10 GLU HA H 10 4.201 4.719 -0.518 1
1 73 . 15 1 1 A 10 10 GLU C C 10 176.530 174.549 1.981 1
1 74 . 15 1 1 A 10 10 GLU CA C 10 56.610 55.461 1.149 1
1 75 . 15 1 1 A 10 10 GLU CB C 10 30.511 31.153 -0.642 1
1 76 . 15 1 1 A 10 10 GLU N N 10 123.218 120.016 3.202 1
1 77 . 15 1 1 A 11 11 VAL H H 11 8.032 8.781 -0.749 1
1 78 . 15 1 1 A 11 11 VAL HA H 11 3.888 4.790 -0.902 1
1 86 . 15 1 1 A 11 11 VAL C C 11 176.344 174.978 1.366 1
1 87 . 15 1 1 A 11 11 VAL CA C 11 62.778 60.177 2.601 1
1 88 . 15 1 1 A 11 11 VAL CB C 11 32.229 34.235 -2.006 1
1 91 . 15 1 1 A 11 11 VAL N N 11 121.505 121.080 0.425 1
1 92 . 15 1 1 A 12 12 ARG H H 12 8.269 8.587 -0.318 1
1 93 . 15 1 1 A 12 12 ARG HA H 12 4.195 4.227 -0.032 1
1 98 . 15 1 1 A 12 12 ARG C C 12 176.344 175.791 0.553 1
1 99 . 15 1 1 A 12 12 ARG CA C 12 56.173 56.318 -0.145 1
1 100 . 15 1 1 A 12 12 ARG CB C 12 30.859 30.467 0.392 1
1 102 . 15 1 1 A 12 12 ARG N N 12 124.717 127.994 -3.277 1
1 103 . 15 1 1 A 13 13 GLN H H 13 8.246 8.642 -0.396 1
1 104 . 15 1 1 A 13 13 GLN HA H 13 4.208 4.453 -0.245 1
1 111 . 15 1 1 A 13 13 GLN C C 13 175.971 176.754 -0.783 1
1 112 . 15 1 1 A 13 13 GLN CA C 13 55.916 54.842 1.074 1
1 113 . 15 1 1 A 13 13 GLN CB C 13 29.864 26.874 2.990 1
1 115 . 15 1 1 A 13 13 GLN N N 13 121.386 123.730 -2.344 1
1 117 . 15 1 1 A 14 14 LYS H H 14 8.276 7.976 0.300 1
1 118 . 15 1 1 A 14 14 LYS HA H 14 4.149 4.079 0.070 1
1 127 . 15 1 1 A 14 14 LYS C C 14 175.971 176.430 -0.459 1
1 128 . 15 1 1 A 14 14 LYS CA C 14 56.518 58.417 -1.899 1
1 129 . 15 1 1 A 14 14 LYS CB C 14 33.073 32.040 1.033 1
1 133 . 15 1 1 A 14 14 LYS N N 14 123.021 122.228 0.793 1
1 134 . 15 1 1 A 15 15 THR H H 15 7.720 7.559 0.161 1
1 135 . 15 1 1 A 15 15 THR HA H 15 4.225 4.314 -0.089 1
1 140 . 15 1 1 A 15 15 THR C C 15 173.801 173.751 0.050 1
1 141 . 15 1 1 A 15 15 THR CA C 15 62.211 61.847 0.364 1
1 142 . 15 1 1 A 15 15 THR CB C 15 70.979 69.885 1.094 1
1 144 . 15 1 1 A 15 15 THR N N 15 114.171 116.393 -2.222 1
1 145 . 15 1 1 A 16 16 VAL H H 16 9.143 8.308 0.835 1
1 146 . 15 1 1 A 16 16 VAL HA H 16 4.004 4.810 -0.806 1
1 154 . 15 1 1 A 16 16 VAL C C 16 174.853 174.308 0.545 1
1 155 . 15 1 1 A 16 16 VAL CA C 16 62.452 60.664 1.788 1
1 156 . 15 1 1 A 16 16 VAL CB C 16 33.361 34.121 -0.760 1
1 159 . 15 1 1 A 16 16 VAL N N 16 126.087 122.944 3.143 1
1 160 . 15 1 1 A 17 17 VAL H H 17 8.364 9.047 -0.683 1
1 161 . 15 1 1 A 17 17 VAL HA H 17 4.653 4.690 -0.037 1
1 169 . 15 1 1 A 17 17 VAL C C 17 176.716 174.149 2.567 1
1 170 . 15 1 1 A 17 17 VAL CA C 17 61.419 60.379 1.040 1
1 171 . 15 1 1 A 17 17 VAL CB C 17 33.022 33.364 -0.342 1
1 174 . 15 1 1 A 17 17 VAL N N 17 127.119 128.178 -1.059 1
1 175 . 15 1 1 A 18 18 ARG H H 18 9.038 8.745 0.293 1
1 176 . 15 1 1 A 18 18 ARG HA H 18 4.669 4.907 -0.238 1
1 181 . 15 1 1 A 18 18 ARG C C 18 174.480 174.770 -0.290 1
1 182 . 15 1 1 A 18 18 ARG CA C 18 54.148 53.773 0.375 1
1 183 . 15 1 1 A 18 18 ARG CB C 18 33.202 35.102 -1.900 1
1 185 . 15 1 1 A 18 18 ARG N N 18 126.432 128.141 -1.709 1
1 186 . 15 1 1 A 19 19 THR H H 19 8.536 8.801 -0.265 1
1 187 . 15 1 1 A 19 19 THR HA H 19 4.727 5.353 -0.626 1
1 192 . 15 1 1 A 19 19 THR C C 19 173.644 173.523 0.121 1
1 193 . 15 1 1 A 19 19 THR CA C 19 62.000 59.668 2.332 1
1 194 . 15 1 1 A 19 19 THR CB C 19 69.919 71.352 -1.433 1
1 196 . 15 1 1 A 19 19 THR N N 19 118.670 112.018 6.652 1
1 197 . 15 1 1 A 20 20 LEU H H 20 8.972 8.688 0.284 1
1 198 . 15 1 1 A 20 20 LEU HA H 20 4.430 4.891 -0.461 1
1 208 . 15 1 1 A 20 20 LEU C C 20 174.294 175.635 -1.341 1
1 209 . 15 1 1 A 20 20 LEU CA C 20 52.892 54.333 -1.441 1
1 210 . 15 1 1 A 20 20 LEU CB C 20 45.825 44.741 1.084 1
1 214 . 15 1 1 A 20 20 LEU N N 20 128.320 123.958 4.362 1
1 215 . 15 1 1 A 21 21 ARG H H 21 7.938 8.736 -0.798 1
1 216 . 15 1 1 A 21 21 ARG HA H 21 4.945 4.852 0.093 1
1 223 . 15 1 1 A 21 21 ARG C C 21 175.333 175.641 -0.308 1
1 224 . 15 1 1 A 21 21 ARG CA C 21 54.721 55.595 -0.874 1
1 225 . 15 1 1 A 21 21 ARG CB C 21 32.512 32.212 0.300 1
1 228 . 15 1 1 A 21 21 ARG N N 21 119.462 124.549 -5.087 1
1 229 . 15 1 1 A 22 22 PHE H H 22 9.021 8.890 0.131 1
1 230 . 15 1 1 A 22 22 PHE HA H 22 4.777 4.901 -0.124 1
1 238 . 15 1 1 A 22 22 PHE C C 22 175.039 175.185 -0.146 1
1 239 . 15 1 1 A 22 22 PHE CA C 22 56.549 56.928 -0.379 1
1 240 . 15 1 1 A 22 22 PHE CB C 22 43.356 42.423 0.933 1
1 246 . 15 1 1 A 22 22 PHE N N 22 120.286 120.470 -0.184 1
1 247 . 15 1 1 A 23 23 SER H H 23 9.411 8.911 0.500 1
1 248 . 15 1 1 A 23 23 SER HA H 23 4.937 4.692 0.245 1
1 249 . 15 1 1 A 23 23 SER C C 23 177.544 174.791 2.753 1
1 250 . 15 1 1 A 23 23 SER CA C 23 56.727 57.501 -0.774 1
1 251 . 15 1 1 A 23 23 SER N N 23 119.420 120.272 -0.852 1
1 252 . 15 1 1 A 24 24 PRO HA H 24 4.095 4.297 -0.202 1
1 259 . 15 1 1 A 24 24 PRO C C 24 179.325 178.890 0.435 1
1 260 . 15 1 1 A 24 24 PRO CA C 24 66.570 65.701 0.869 1
1 261 . 15 1 1 A 24 24 PRO CB C 24 31.862 31.723 0.139 1
1 264 . 15 1 1 A 25 25 VAL H H 25 7.563 7.497 0.066 1
1 265 . 15 1 1 A 25 25 VAL HA H 25 3.779 3.789 -0.010 1
1 273 . 15 1 1 A 25 25 VAL C C 25 178.846 178.065 0.781 1
1 274 . 15 1 1 A 25 25 VAL CA C 25 65.693 65.433 0.260 1
1 275 . 15 1 1 A 25 25 VAL CB C 25 32.040 31.532 0.508 1
1 278 . 15 1 1 A 25 25 VAL N N 25 116.405 116.286 0.119 1
1 279 . 15 1 1 A 26 26 GLU H H 26 7.512 8.261 -0.749 1
1 280 . 15 1 1 A 26 26 GLU HA H 26 3.838 4.030 -0.192 1
1 285 . 15 1 1 A 26 26 GLU C C 26 178.766 179.012 -0.246 1
1 286 . 15 1 1 A 26 26 GLU CA C 26 58.902 59.824 -0.922 1
1 287 . 15 1 1 A 26 26 GLU CB C 26 30.798 29.547 1.251 1
1 289 . 15 1 1 A 26 26 GLU N N 26 122.557 119.065 3.492 1
1 290 . 15 1 1 A 27 27 ASP H H 27 8.669 8.476 0.193 1
1 291 . 15 1 1 A 27 27 ASP HA H 27 3.900 4.241 -0.341 1
1 294 . 15 1 1 A 27 27 ASP C C 27 177.586 178.105 -0.519 1
1 295 . 15 1 1 A 27 27 ASP CA C 27 57.954 57.473 0.481 1
1 296 . 15 1 1 A 27 27 ASP CB C 27 43.617 41.886 1.731 1
1 297 . 15 1 1 A 27 27 ASP N N 27 118.012 119.887 -1.875 1
1 298 . 15 1 1 A 28 28 GLU H H 28 7.875 8.042 -0.167 1
1 299 . 15 1 1 A 28 28 GLU HA H 28 3.738 4.024 -0.286 1
1 302 . 15 1 1 A 28 28 GLU C C 28 178.837 179.238 -0.401 1
1 303 . 15 1 1 A 28 28 GLU CA C 28 59.710 59.397 0.313 1
1 304 . 15 1 1 A 28 28 GLU CB C 28 29.550 29.507 0.043 1
1 305 . 15 1 1 A 28 28 GLU N N 28 118.040 118.956 -0.916 1
1 306 . 15 1 1 A 29 29 THR H H 29 7.662 7.832 -0.170 1
1 307 . 15 1 1 A 29 29 THR HA H 29 3.739 3.950 -0.211 1
1 312 . 15 1 1 A 29 29 THR C C 29 176.344 176.259 0.085 1
1 313 . 15 1 1 A 29 29 THR CA C 29 66.756 67.118 -0.362 1
1 314 . 15 1 1 A 29 29 THR CB C 29 68.663 68.663 0.000 1
1 316 . 15 1 1 A 29 29 THR N N 29 116.635 116.308 0.327 1
1 317 . 15 1 1 A 30 30 ILE H H 30 7.875 8.080 -0.205 1
1 318 . 15 1 1 A 30 30 ILE HA H 30 3.159 3.434 -0.275 1
1 328 . 15 1 1 A 30 30 ILE C C 30 176.903 178.298 -1.395 1
1 329 . 15 1 1 A 30 30 ILE CA C 30 65.390 64.355 1.035 1
1 330 . 15 1 1 A 30 30 ILE CB C 30 37.356 37.012 0.344 1
1 334 . 15 1 1 A 30 30 ILE N N 30 121.804 120.173 1.631 1
1 335 . 15 1 1 A 31 31 ARG H H 31 8.502 8.207 0.295 1
1 336 . 15 1 1 A 31 31 ARG HA H 31 3.508 3.829 -0.321 1
1 343 . 15 1 1 A 31 31 ARG C C 31 179.262 178.662 0.600 1
1 344 . 15 1 1 A 31 31 ARG CA C 31 60.462 59.066 1.396 1
1 345 . 15 1 1 A 31 31 ARG CB C 31 30.075 29.807 0.268 1
1 348 . 15 1 1 A 31 31 ARG N N 31 119.175 122.485 -3.310 1
1 349 . 15 1 1 A 32 32 LYS H H 32 7.497 7.866 -0.369 1
1 350 . 15 1 1 A 32 32 LYS HA H 32 3.884 4.026 -0.142 1
1 357 . 15 1 1 A 32 32 LYS C C 32 178.207 179.097 -0.890 1
1 358 . 15 1 1 A 32 32 LYS CA C 32 59.176 59.544 -0.368 1
1 359 . 15 1 1 A 32 32 LYS CB C 32 32.020 32.202 -0.182 1
1 362 . 15 1 1 A 32 32 LYS N N 32 119.486 118.441 1.045 1
1 363 . 15 1 1 A 33 33 LYS H H 33 7.540 7.988 -0.448 1
1 366 . 15 1 1 A 33 33 LYS C C 33 179.884 178.638 1.246 1
1 367 . 15 1 1 A 33 33 LYS CB C 33 32.095 31.825 0.270 1
1 368 . 15 1 1 A 33 33 LYS N N 33 119.050 119.746 -0.696 1
1 369 . 15 1 1 A 34 34 ALA H H 34 8.208 7.253 0.955 1
1 370 . 15 1 1 A 34 34 ALA HA H 34 3.448 3.889 -0.441 1
1 374 . 15 1 1 A 34 34 ALA C C 34 179.325 178.858 0.467 1
1 375 . 15 1 1 A 34 34 ALA CA C 34 55.826 55.242 0.584 1
1 376 . 15 1 1 A 34 34 ALA CB C 34 17.665 18.137 -0.472 1
1 377 . 15 1 1 A 34 34 ALA N N 34 122.909 121.711 1.198 1
1 378 . 15 1 1 A 35 35 GLU H H 35 7.997 8.072 -0.075 1
1 379 . 15 1 1 A 35 35 GLU HA H 35 3.877 4.061 -0.184 1
1 382 . 15 1 1 A 35 35 GLU C C 35 181.002 178.292 2.710 1
1 383 . 15 1 1 A 35 35 GLU CA C 35 59.737 59.232 0.505 1
1 384 . 15 1 1 A 35 35 GLU CB C 35 29.381 28.909 0.472 1
1 385 . 15 1 1 A 35 35 GLU N N 35 119.482 118.526 0.956 1
1 386 . 15 1 1 A 36 36 ASP H H 36 8.405 8.373 0.032 1
1 387 . 15 1 1 A 36 36 ASP HA H 36 4.279 4.412 -0.133 1
1 390 . 15 1 1 A 36 36 ASP C C 36 177.834 177.966 -0.132 1
1 391 . 15 1 1 A 36 36 ASP CA C 36 57.178 57.563 -0.385 1
1 392 . 15 1 1 A 36 36 ASP CB C 36 40.502 41.223 -0.721 1
1 393 . 15 1 1 A 36 36 ASP N N 36 120.553 120.509 0.044 1
1 394 . 15 1 1 A 37 37 SER H H 37 7.481 7.697 -0.216 1
1 395 . 15 1 1 A 37 37 SER HA H 37 4.450 4.532 -0.082 1
1 398 . 15 1 1 A 37 37 SER C C 37 174.294 174.761 -0.467 1
1 399 . 15 1 1 A 37 37 SER CA C 37 59.149 58.486 0.663 1
1 400 . 15 1 1 A 37 37 SER CB C 37 64.866 63.849 1.017 1
1 401 . 15 1 1 A 37 37 SER N N 37 112.666 111.748 0.918 1
1 402 . 15 1 1 A 38 38 GLY H H 38 7.871 8.319 -0.448 1
1 403 . 15 1 1 A 38 38 GLY HA2 H 38 3.895 3.917 -0.022 1
1 404 . 15 1 1 A 38 38 GLY HA3 H 38 3.772 3.924 -0.152 1
1 405 . 15 1 1 A 38 38 GLY C C 38 174.108 174.254 -0.146 1
1 406 . 15 1 1 A 38 38 GLY CA C 38 46.433 45.918 0.515 1
1 407 . 15 1 1 A 38 38 GLY N N 38 110.893 111.102 -0.209 1
1 408 . 15 1 1 A 39 39 LEU H H 39 7.850 7.744 0.106 1
1 409 . 15 1 1 A 39 39 LEU HA H 39 4.782 4.477 0.305 1
1 419 . 15 1 1 A 39 39 LEU C C 39 177.538 175.797 1.741 1
1 420 . 15 1 1 A 39 39 LEU CA C 39 53.141 54.102 -0.961 1
1 421 . 15 1 1 A 39 39 LEU CB C 39 47.097 43.090 4.007 1
1 425 . 15 1 1 A 39 39 LEU N N 39 119.947 122.437 -2.490 1
1 426 . 15 1 1 A 40 40 THR H H 40 7.654 8.700 -1.046 1
1 427 . 15 1 1 A 40 40 THR HA H 40 4.234 4.350 -0.116 1
1 432 . 15 1 1 A 40 40 THR C C 40 175.658 175.851 -0.193 1
1 433 . 15 1 1 A 40 40 THR CA C 40 61.188 62.454 -1.266 1
1 434 . 15 1 1 A 40 40 THR CB C 40 70.501 69.282 1.219 1
1 436 . 15 1 1 A 40 40 THR N N 40 109.345 119.725 -10.380 1
1 437 . 15 1 1 A 41 41 VAL H H 41 8.721 8.750 -0.029 1
1 438 . 15 1 1 A 41 41 VAL HA H 41 3.239 3.648 -0.409 1
1 446 . 15 1 1 A 41 41 VAL C C 41 178.021 177.488 0.533 1
1 447 . 15 1 1 A 41 41 VAL CA C 41 68.189 66.671 1.518 1
1 448 . 15 1 1 A 41 41 VAL CB C 41 31.300 31.636 -0.336 1
1 451 . 15 1 1 A 41 41 VAL N N 41 121.470 127.913 -6.443 1
1 452 . 15 1 1 A 42 42 SER H H 42 8.424 8.202 0.222 1
1 453 . 15 1 1 A 42 42 SER HA H 42 3.742 4.182 -0.440 1
1 454 . 15 1 1 A 42 42 SER C C 42 175.785 177.163 -1.378 1
1 455 . 15 1 1 A 42 42 SER CA C 42 62.514 61.297 1.217 1
1 456 . 15 1 1 A 42 42 SER N N 42 113.251 114.110 -0.859 1
1 457 . 15 1 1 A 43 43 ALA H H 43 7.494 7.761 -0.267 1
1 458 . 15 1 1 A 43 43 ALA HA H 43 3.916 4.073 -0.157 1
1 462 . 15 1 1 A 43 43 ALA C C 43 179.884 179.067 0.817 1
1 463 . 15 1 1 A 43 43 ALA CA C 43 55.172 54.939 0.233 1
1 464 . 15 1 1 A 43 43 ALA CB C 43 19.490 18.529 0.961 1
1 465 . 15 1 1 A 43 43 ALA N N 43 123.328 123.213 0.115 1
1 466 . 15 1 1 A 44 44 TYR H H 44 8.662 8.522 0.140 1
1 467 . 15 1 1 A 44 44 TYR HA H 44 3.742 4.196 -0.454 1
1 474 . 15 1 1 A 44 44 TYR C C 44 177.593 177.425 0.168 1
1 475 . 15 1 1 A 44 44 TYR CA C 44 62.514 61.313 1.201 1
1 476 . 15 1 1 A 44 44 TYR CB C 44 39.211 38.660 0.551 1
1 481 . 15 1 1 A 44 44 TYR N N 44 119.611 120.090 -0.479 1
1 482 . 15 1 1 A 45 45 ILE H H 45 8.445 8.818 -0.373 1
1 483 . 15 1 1 A 45 45 ILE HA H 45 3.138 3.713 -0.575 1
1 493 . 15 1 1 A 45 45 ILE C C 45 177.462 178.090 -0.628 1
1 494 . 15 1 1 A 45 45 ILE CA C 45 66.393 65.018 1.375 1
1 495 . 15 1 1 A 45 45 ILE CB C 45 37.810 37.896 -0.086 1
1 499 . 15 1 1 A 45 45 ILE N N 45 118.859 121.251 -2.392 1
1 500 . 15 1 1 A 46 46 ARG H H 46 8.026 8.103 -0.077 1
1 501 . 15 1 1 A 46 46 ARG HA H 46 3.635 4.035 -0.400 1
1 506 . 15 1 1 A 46 46 ARG C C 46 177.462 178.277 -0.815 1
1 507 . 15 1 1 A 46 46 ARG CA C 46 60.816 58.787 2.029 1
1 508 . 15 1 1 A 46 46 ARG CB C 46 30.287 29.992 0.295 1
1 510 . 15 1 1 A 46 46 ARG N N 46 117.983 120.512 -2.529 1
1 511 . 15 1 1 A 47 47 ASN H H 47 8.026 8.400 -0.374 1
1 512 . 15 1 1 A 47 47 ASN HA H 47 4.078 4.335 -0.257 1
1 517 . 15 1 1 A 47 47 ASN C C 47 177.648 177.193 0.455 1
1 518 . 15 1 1 A 47 47 ASN CA C 47 56.329 56.541 -0.212 1
1 519 . 15 1 1 A 47 47 ASN CB C 47 38.112 39.373 -1.261 1
1 520 . 15 1 1 A 47 47 ASN N N 47 115.323 117.724 -2.401 1
1 522 . 15 1 1 A 48 48 ALA H H 48 7.809 8.083 -0.274 1
1 523 . 15 1 1 A 48 48 ALA HA H 48 3.792 3.888 -0.096 1
1 527 . 15 1 1 A 48 48 ALA C C 48 179.325 179.805 -0.480 1
1 528 . 15 1 1 A 48 48 ALA CA C 48 54.393 54.703 -0.310 1
1 529 . 15 1 1 A 48 48 ALA CB C 48 16.905 17.751 -0.846 1
1 530 . 15 1 1 A 48 48 ALA N N 48 121.450 121.107 0.343 1
1 531 . 15 1 1 A 49 49 ALA H H 49 7.863 7.606 0.257 1
1 532 . 15 1 1 A 49 49 ALA HA H 49 3.821 4.101 -0.280 1
1 536 . 15 1 1 A 49 49 ALA C C 49 178.503 179.994 -1.491 1
1 537 . 15 1 1 A 49 49 ALA CA C 49 54.016 54.825 -0.809 1
1 538 . 15 1 1 A 49 49 ALA CB C 49 19.693 18.684 1.009 1
1 539 . 15 1 1 A 49 49 ALA N N 49 117.188 120.235 -3.047 1
1 540 . 15 1 1 A 50 50 LEU H H 50 7.610 7.819 -0.209 1
1 541 . 15 1 1 A 50 50 LEU HA H 50 4.062 4.097 -0.035 1
1 551 . 15 1 1 A 50 50 LEU C C 50 176.716 179.065 -2.349 1
1 552 . 15 1 1 A 50 50 LEU CA C 50 55.766 57.303 -1.537 1
1 553 . 15 1 1 A 50 50 LEU CB C 50 43.320 41.965 1.355 1
1 557 . 15 1 1 A 50 50 LEU N N 50 116.113 119.900 -3.787 1
1 6 . 16 1 1 A 2 2 ASP HA H 2 4.569 5.170 -0.601 1
1 9 . 16 1 1 A 2 2 ASP C C 2 176.530 173.909 2.621 1
1 10 . 16 1 1 A 2 2 ASP CA C 2 54.589 53.375 1.214 1
1 11 . 16 1 1 A 2 2 ASP CB C 2 41.462 42.745 -1.283 1
1 12 . 16 1 1 A 3 3 SER H H 3 8.267 8.600 -0.333 1
1 13 . 16 1 1 A 3 3 SER HA H 3 4.276 5.110 -0.834 1
1 16 . 16 1 1 A 3 3 SER C C 3 174.667 174.897 -0.230 1
1 17 . 16 1 1 A 3 3 SER CA C 3 58.605 57.038 1.567 1
1 18 . 16 1 1 A 3 3 SER CB C 3 63.763 65.820 -2.057 1
1 19 . 16 1 1 A 3 3 SER N N 3 116.529 113.629 2.900 1
1 20 . 16 1 1 A 4 4 ALA H H 4 8.196 9.089 -0.893 1
1 21 . 16 1 1 A 4 4 ALA HA H 4 4.179 4.030 0.149 1
1 25 . 16 1 1 A 4 4 ALA C C 4 178.021 178.774 -0.753 1
1 26 . 16 1 1 A 4 4 ALA CA C 4 52.977 54.420 -1.443 1
1 27 . 16 1 1 A 4 4 ALA CB C 4 19.202 18.494 0.708 1
1 28 . 16 1 1 A 4 4 ALA N N 4 125.751 127.578 -1.827 1
1 29 . 16 1 1 A 5 5 VAL H H 5 7.811 7.793 0.018 1
1 30 . 16 1 1 A 5 5 VAL HA H 5 3.912 3.893 0.019 1
1 38 . 16 1 1 A 5 5 VAL C C 5 176.344 176.399 -0.055 1
1 39 . 16 1 1 A 5 5 VAL CA C 5 62.506 64.503 -1.997 1
1 40 . 16 1 1 A 5 5 VAL CB C 5 32.588 31.540 1.048 1
1 43 . 16 1 1 A 5 5 VAL N N 5 118.872 117.758 1.114 1
1 44 . 16 1 1 A 6 6 ARG H H 6 8.146 7.705 0.441 1
1 45 . 16 1 1 A 6 6 ARG HA H 6 4.195 4.416 -0.221 1
1 50 . 16 1 1 A 6 6 ARG C C 6 176.344 175.887 0.457 1
1 51 . 16 1 1 A 6 6 ARG CA C 6 56.173 56.106 0.067 1
1 52 . 16 1 1 A 6 6 ARG CB C 6 30.859 31.460 -0.601 1
1 54 . 16 1 1 A 6 6 ARG N N 6 124.824 122.714 2.110 1
1 55 . 16 1 1 A 7 7 LYS H H 7 8.207 8.377 -0.170 1
1 56 . 16 1 1 A 7 7 LYS C C 7 176.792 176.154 0.638 1
1 57 . 16 1 1 A 7 7 LYS N N 7 123.109 122.984 0.125 1
1 58 . 16 1 1 A 8 8 LYS H H 8 8.258 8.082 0.176 1
1 59 . 16 1 1 A 8 8 LYS C C 8 176.903 176.740 0.163 1
1 60 . 16 1 1 A 8 8 LYS N N 8 122.855 127.205 -4.350 1
1 61 . 16 1 1 A 9 9 SER H H 9 8.197 7.927 0.270 1
1 62 . 16 1 1 A 9 9 SER HA H 9 4.243 4.396 -0.153 1
1 65 . 16 1 1 A 9 9 SER C C 9 174.667 174.932 -0.265 1
1 66 . 16 1 1 A 9 9 SER CA C 9 58.831 59.199 -0.368 1
1 67 . 16 1 1 A 9 9 SER CB C 9 63.763 64.674 -0.911 1
1 68 . 16 1 1 A 9 9 SER N N 9 116.772 113.821 2.951 1
1 69 . 16 1 1 A 10 10 GLU H H 10 8.280 8.568 -0.288 1
1 70 . 16 1 1 A 10 10 GLU HA H 10 4.201 4.727 -0.526 1
1 73 . 16 1 1 A 10 10 GLU C C 10 176.530 176.507 0.023 1
1 74 . 16 1 1 A 10 10 GLU CA C 10 56.610 55.967 0.643 1
1 75 . 16 1 1 A 10 10 GLU CB C 10 30.511 31.620 -1.109 1
1 76 . 16 1 1 A 10 10 GLU N N 10 123.218 119.388 3.830 1
1 77 . 16 1 1 A 11 11 VAL H H 11 8.032 7.617 0.415 1
1 78 . 16 1 1 A 11 11 VAL HA H 11 3.888 3.805 0.083 1
1 86 . 16 1 1 A 11 11 VAL C C 11 176.344 176.764 -0.420 1
1 87 . 16 1 1 A 11 11 VAL CA C 11 62.778 63.247 -0.469 1
1 88 . 16 1 1 A 11 11 VAL CB C 11 32.229 31.518 0.711 1
1 91 . 16 1 1 A 11 11 VAL N N 11 121.505 120.672 0.833 1
1 92 . 16 1 1 A 12 12 ARG H H 12 8.269 9.190 -0.921 1
1 93 . 16 1 1 A 12 12 ARG HA H 12 4.195 3.983 0.212 1
1 98 . 16 1 1 A 12 12 ARG C C 12 176.344 175.071 1.273 1
1 99 . 16 1 1 A 12 12 ARG CA C 12 56.173 57.070 -0.897 1
1 100 . 16 1 1 A 12 12 ARG CB C 12 30.859 29.106 1.753 1
1 102 . 16 1 1 A 12 12 ARG N N 12 124.717 128.984 -4.267 1
1 103 . 16 1 1 A 13 13 GLN H H 13 8.246 8.190 0.056 1
1 104 . 16 1 1 A 13 13 GLN HA H 13 4.208 4.032 0.176 1
1 111 . 16 1 1 A 13 13 GLN C C 13 175.971 175.767 0.204 1
1 112 . 16 1 1 A 13 13 GLN CA C 13 55.916 57.254 -1.338 1
1 113 . 16 1 1 A 13 13 GLN CB C 13 29.864 26.700 3.164 1
1 115 . 16 1 1 A 13 13 GLN N N 13 121.386 111.622 9.764 1
1 117 . 16 1 1 A 14 14 LYS H H 14 8.276 9.102 -0.826 1
1 118 . 16 1 1 A 14 14 LYS HA H 14 4.149 3.989 0.160 1
1 127 . 16 1 1 A 14 14 LYS C C 14 175.971 175.195 0.776 1
1 128 . 16 1 1 A 14 14 LYS CA C 14 56.518 57.137 -0.619 1
1 129 . 16 1 1 A 14 14 LYS CB C 14 33.073 30.138 2.935 1
1 133 . 16 1 1 A 14 14 LYS N N 14 123.021 116.264 6.757 1
1 134 . 16 1 1 A 15 15 THR H H 15 7.720 7.508 0.212 1
1 135 . 16 1 1 A 15 15 THR HA H 15 4.225 4.609 -0.384 1
1 140 . 16 1 1 A 15 15 THR C C 15 173.801 172.278 1.523 1
1 141 . 16 1 1 A 15 15 THR CA C 15 62.211 60.150 2.061 1
1 142 . 16 1 1 A 15 15 THR CB C 15 70.979 69.626 1.353 1
1 144 . 16 1 1 A 15 15 THR N N 15 114.171 112.755 1.416 1
1 145 . 16 1 1 A 16 16 VAL H H 16 9.143 8.228 0.915 1
1 146 . 16 1 1 A 16 16 VAL HA H 16 4.004 4.877 -0.873 1
1 154 . 16 1 1 A 16 16 VAL C C 16 174.853 174.400 0.453 1
1 155 . 16 1 1 A 16 16 VAL CA C 16 62.452 60.558 1.894 1
1 156 . 16 1 1 A 16 16 VAL CB C 16 33.361 35.923 -2.562 1
1 159 . 16 1 1 A 16 16 VAL N N 16 126.087 121.852 4.235 1
1 160 . 16 1 1 A 17 17 VAL H H 17 8.364 8.644 -0.280 1
1 161 . 16 1 1 A 17 17 VAL HA H 17 4.653 4.797 -0.144 1
1 169 . 16 1 1 A 17 17 VAL C C 17 176.716 174.016 2.700 1
1 170 . 16 1 1 A 17 17 VAL CA C 17 61.419 60.209 1.210 1
1 171 . 16 1 1 A 17 17 VAL CB C 17 33.022 34.906 -1.884 1
1 174 . 16 1 1 A 17 17 VAL N N 17 127.119 124.034 3.085 1
1 175 . 16 1 1 A 18 18 ARG H H 18 9.038 8.853 0.185 1
1 176 . 16 1 1 A 18 18 ARG HA H 18 4.669 4.752 -0.083 1
1 181 . 16 1 1 A 18 18 ARG C C 18 174.480 174.238 0.242 1
1 182 . 16 1 1 A 18 18 ARG CA C 18 54.148 54.687 -0.539 1
1 183 . 16 1 1 A 18 18 ARG CB C 18 33.202 34.497 -1.295 1
1 185 . 16 1 1 A 18 18 ARG N N 18 126.432 128.757 -2.325 1
1 186 . 16 1 1 A 19 19 THR H H 19 8.536 8.640 -0.104 1
1 187 . 16 1 1 A 19 19 THR HA H 19 4.727 4.820 -0.093 1
1 192 . 16 1 1 A 19 19 THR C C 19 173.644 173.645 -0.001 1
1 193 . 16 1 1 A 19 19 THR CA C 19 62.000 62.939 -0.939 1
1 194 . 16 1 1 A 19 19 THR CB C 19 69.919 69.871 0.048 1
1 196 . 16 1 1 A 19 19 THR N N 19 118.670 119.105 -0.435 1
1 197 . 16 1 1 A 20 20 LEU H H 20 8.972 9.009 -0.037 1
1 198 . 16 1 1 A 20 20 LEU HA H 20 4.430 5.089 -0.659 1
1 208 . 16 1 1 A 20 20 LEU C C 20 174.294 174.654 -0.360 1
1 209 . 16 1 1 A 20 20 LEU CA C 20 52.892 53.251 -0.359 1
1 210 . 16 1 1 A 20 20 LEU CB C 20 45.825 46.248 -0.423 1
1 214 . 16 1 1 A 20 20 LEU N N 20 128.320 129.664 -1.344 1
1 215 . 16 1 1 A 21 21 ARG H H 21 7.938 8.149 -0.211 1
1 216 . 16 1 1 A 21 21 ARG HA H 21 4.945 5.144 -0.199 1
1 223 . 16 1 1 A 21 21 ARG C C 21 175.333 174.334 0.999 1
1 224 . 16 1 1 A 21 21 ARG CA C 21 54.721 53.872 0.849 1
1 225 . 16 1 1 A 21 21 ARG CB C 21 32.512 33.862 -1.350 1
1 228 . 16 1 1 A 21 21 ARG N N 21 119.462 123.321 -3.859 1
1 229 . 16 1 1 A 22 22 PHE H H 22 9.021 8.910 0.111 1
1 230 . 16 1 1 A 22 22 PHE HA H 22 4.777 5.258 -0.481 1
1 238 . 16 1 1 A 22 22 PHE C C 22 175.039 174.821 0.218 1
1 239 . 16 1 1 A 22 22 PHE CA C 22 56.549 56.835 -0.286 1
1 240 . 16 1 1 A 22 22 PHE CB C 22 43.356 42.946 0.410 1
1 246 . 16 1 1 A 22 22 PHE N N 22 120.286 120.191 0.095 1
1 247 . 16 1 1 A 23 23 SER H H 23 9.411 9.081 0.330 1
1 248 . 16 1 1 A 23 23 SER HA H 23 4.937 4.787 0.150 1
1 249 . 16 1 1 A 23 23 SER C C 23 177.544 174.652 2.892 1
1 250 . 16 1 1 A 23 23 SER CA C 23 56.727 57.114 -0.387 1
1 251 . 16 1 1 A 23 23 SER N N 23 119.420 119.171 0.249 1
1 252 . 16 1 1 A 24 24 PRO HA H 24 4.095 4.306 -0.211 1
1 259 . 16 1 1 A 24 24 PRO C C 24 179.325 179.104 0.221 1
1 260 . 16 1 1 A 24 24 PRO CA C 24 66.570 65.929 0.641 1
1 261 . 16 1 1 A 24 24 PRO CB C 24 31.862 31.446 0.416 1
1 264 . 16 1 1 A 25 25 VAL H H 25 7.563 7.676 -0.113 1
1 265 . 16 1 1 A 25 25 VAL HA H 25 3.779 3.777 0.002 1
1 273 . 16 1 1 A 25 25 VAL C C 25 178.846 177.661 1.185 1
1 274 . 16 1 1 A 25 25 VAL CA C 25 65.693 65.550 0.143 1
1 275 . 16 1 1 A 25 25 VAL CB C 25 32.040 31.340 0.700 1
1 278 . 16 1 1 A 25 25 VAL N N 25 116.405 115.660 0.745 1
1 279 . 16 1 1 A 26 26 GLU H H 26 7.512 8.615 -1.103 1
1 280 . 16 1 1 A 26 26 GLU HA H 26 3.838 3.997 -0.159 1
1 285 . 16 1 1 A 26 26 GLU C C 26 178.766 178.754 0.012 1
1 286 . 16 1 1 A 26 26 GLU CA C 26 58.902 59.753 -0.851 1
1 287 . 16 1 1 A 26 26 GLU CB C 26 30.798 29.292 1.506 1
1 289 . 16 1 1 A 26 26 GLU N N 26 122.557 119.153 3.404 1
1 290 . 16 1 1 A 27 27 ASP H H 27 8.669 8.245 0.424 1
1 291 . 16 1 1 A 27 27 ASP HA H 27 3.900 4.210 -0.310 1
1 294 . 16 1 1 A 27 27 ASP C C 27 177.586 178.204 -0.618 1
1 295 . 16 1 1 A 27 27 ASP CA C 27 57.954 57.444 0.510 1
1 296 . 16 1 1 A 27 27 ASP CB C 27 43.617 41.426 2.191 1
1 297 . 16 1 1 A 27 27 ASP N N 27 118.012 120.345 -2.333 1
1 298 . 16 1 1 A 28 28 GLU H H 28 7.875 8.124 -0.249 1
1 299 . 16 1 1 A 28 28 GLU HA H 28 3.738 4.014 -0.276 1
1 302 . 16 1 1 A 28 28 GLU C C 28 178.837 179.011 -0.174 1
1 303 . 16 1 1 A 28 28 GLU CA C 28 59.710 59.451 0.259 1
1 304 . 16 1 1 A 28 28 GLU CB C 28 29.550 29.303 0.247 1
1 305 . 16 1 1 A 28 28 GLU N N 28 118.040 119.045 -1.005 1
1 306 . 16 1 1 A 29 29 THR H H 29 7.662 8.216 -0.554 1
1 307 . 16 1 1 A 29 29 THR HA H 29 3.739 3.940 -0.201 1
1 312 . 16 1 1 A 29 29 THR C C 29 176.344 175.990 0.354 1
1 313 . 16 1 1 A 29 29 THR CA C 29 66.756 67.198 -0.442 1
1 314 . 16 1 1 A 29 29 THR CB C 29 68.663 68.793 -0.130 1
1 316 . 16 1 1 A 29 29 THR N N 29 116.635 115.917 0.718 1
1 317 . 16 1 1 A 30 30 ILE H H 30 7.875 8.155 -0.280 1
1 318 . 16 1 1 A 30 30 ILE HA H 30 3.159 3.538 -0.379 1
1 328 . 16 1 1 A 30 30 ILE C C 30 176.903 178.088 -1.185 1
1 329 . 16 1 1 A 30 30 ILE CA C 30 65.390 65.569 -0.179 1
1 330 . 16 1 1 A 30 30 ILE CB C 30 37.356 37.628 -0.272 1
1 334 . 16 1 1 A 30 30 ILE N N 30 121.804 121.085 0.719 1
1 335 . 16 1 1 A 31 31 ARG H H 31 8.502 8.097 0.405 1
1 336 . 16 1 1 A 31 31 ARG HA H 31 3.508 3.788 -0.280 1
1 343 . 16 1 1 A 31 31 ARG C C 31 179.262 178.560 0.702 1
1 344 . 16 1 1 A 31 31 ARG CA C 31 60.462 59.734 0.728 1
1 345 . 16 1 1 A 31 31 ARG CB C 31 30.075 29.633 0.442 1
1 348 . 16 1 1 A 31 31 ARG N N 31 119.175 120.197 -1.022 1
1 349 . 16 1 1 A 32 32 LYS H H 32 7.497 7.587 -0.090 1
1 350 . 16 1 1 A 32 32 LYS HA H 32 3.884 4.011 -0.127 1
1 357 . 16 1 1 A 32 32 LYS C C 32 178.207 178.836 -0.629 1
1 358 . 16 1 1 A 32 32 LYS CA C 32 59.176 59.574 -0.398 1
1 359 . 16 1 1 A 32 32 LYS CB C 32 32.020 32.156 -0.136 1
1 362 . 16 1 1 A 32 32 LYS N N 32 119.486 118.294 1.192 1
1 363 . 16 1 1 A 33 33 LYS H H 33 7.540 7.994 -0.454 1
1 366 . 16 1 1 A 33 33 LYS C C 33 179.884 178.328 1.556 1
1 367 . 16 1 1 A 33 33 LYS CB C 33 32.095 31.838 0.257 1
1 368 . 16 1 1 A 33 33 LYS N N 33 119.050 119.551 -0.501 1
1 369 . 16 1 1 A 34 34 ALA H H 34 8.208 8.075 0.133 1
1 370 . 16 1 1 A 34 34 ALA HA H 34 3.448 3.824 -0.376 1
1 374 . 16 1 1 A 34 34 ALA C C 34 179.325 179.280 0.045 1
1 375 . 16 1 1 A 34 34 ALA CA C 34 55.826 54.789 1.037 1
1 376 . 16 1 1 A 34 34 ALA CB C 34 17.665 18.120 -0.455 1
1 377 . 16 1 1 A 34 34 ALA N N 34 122.909 120.294 2.615 1
1 378 . 16 1 1 A 35 35 GLU H H 35 7.997 8.135 -0.138 1
1 379 . 16 1 1 A 35 35 GLU HA H 35 3.877 4.029 -0.152 1
1 382 . 16 1 1 A 35 35 GLU C C 35 181.002 178.237 2.765 1
1 383 . 16 1 1 A 35 35 GLU CA C 35 59.737 58.715 1.022 1
1 384 . 16 1 1 A 35 35 GLU CB C 35 29.381 29.369 0.012 1
1 385 . 16 1 1 A 35 35 GLU N N 35 119.482 118.696 0.786 1
1 386 . 16 1 1 A 36 36 ASP H H 36 8.405 7.627 0.778 1
1 387 . 16 1 1 A 36 36 ASP HA H 36 4.279 4.484 -0.205 1
1 390 . 16 1 1 A 36 36 ASP C C 36 177.834 178.180 -0.346 1
1 391 . 16 1 1 A 36 36 ASP CA C 36 57.178 56.212 0.966 1
1 392 . 16 1 1 A 36 36 ASP CB C 36 40.502 41.090 -0.588 1
1 393 . 16 1 1 A 36 36 ASP N N 36 120.553 120.117 0.436 1
1 394 . 16 1 1 A 37 37 SER H H 37 7.481 7.843 -0.362 1
1 395 . 16 1 1 A 37 37 SER HA H 37 4.450 4.525 -0.075 1
1 398 . 16 1 1 A 37 37 SER C C 37 174.294 174.726 -0.432 1
1 399 . 16 1 1 A 37 37 SER CA C 37 59.149 58.298 0.851 1
1 400 . 16 1 1 A 37 37 SER CB C 37 64.866 63.750 1.116 1
1 401 . 16 1 1 A 37 37 SER N N 37 112.666 112.653 0.013 1
1 402 . 16 1 1 A 38 38 GLY H H 38 7.871 7.924 -0.053 1
1 403 . 16 1 1 A 38 38 GLY HA2 H 38 3.895 3.953 -0.058 1
1 404 . 16 1 1 A 38 38 GLY HA3 H 38 3.772 3.963 -0.191 1
1 405 . 16 1 1 A 38 38 GLY C C 38 174.108 174.052 0.056 1
1 406 . 16 1 1 A 38 38 GLY CA C 38 46.433 45.076 1.357 1
1 407 . 16 1 1 A 38 38 GLY N N 38 110.893 110.085 0.808 1
1 408 . 16 1 1 A 39 39 LEU H H 39 7.850 7.659 0.191 1
1 409 . 16 1 1 A 39 39 LEU HA H 39 4.782 4.238 0.544 1
1 419 . 16 1 1 A 39 39 LEU C C 39 177.538 176.418 1.120 1
1 420 . 16 1 1 A 39 39 LEU CA C 39 53.141 54.443 -1.302 1
1 421 . 16 1 1 A 39 39 LEU CB C 39 47.097 41.499 5.598 1
1 425 . 16 1 1 A 39 39 LEU N N 39 119.947 123.268 -3.321 1
1 426 . 16 1 1 A 40 40 THR H H 40 7.654 8.822 -1.168 1
1 427 . 16 1 1 A 40 40 THR HA H 40 4.234 4.250 -0.016 1
1 432 . 16 1 1 A 40 40 THR C C 40 175.658 176.052 -0.394 1
1 433 . 16 1 1 A 40 40 THR CA C 40 61.188 62.547 -1.359 1
1 434 . 16 1 1 A 40 40 THR CB C 40 70.501 69.299 1.202 1
1 436 . 16 1 1 A 40 40 THR N N 40 109.345 119.729 -10.384 1
1 437 . 16 1 1 A 41 41 VAL H H 41 8.721 8.749 -0.028 1
1 438 . 16 1 1 A 41 41 VAL HA H 41 3.239 3.692 -0.453 1
1 446 . 16 1 1 A 41 41 VAL C C 41 178.021 177.446 0.575 1
1 447 . 16 1 1 A 41 41 VAL CA C 41 68.189 66.602 1.587 1
1 448 . 16 1 1 A 41 41 VAL CB C 41 31.300 31.757 -0.457 1
1 451 . 16 1 1 A 41 41 VAL N N 41 121.470 128.205 -6.735 1
1 452 . 16 1 1 A 42 42 SER H H 42 8.424 8.292 0.132 1
1 453 . 16 1 1 A 42 42 SER HA H 42 3.742 4.218 -0.476 1
1 454 . 16 1 1 A 42 42 SER C C 42 175.785 177.021 -1.236 1
1 455 . 16 1 1 A 42 42 SER CA C 42 62.514 61.706 0.808 1
1 456 . 16 1 1 A 42 42 SER N N 42 113.251 113.982 -0.731 1
1 457 . 16 1 1 A 43 43 ALA H H 43 7.494 7.611 -0.117 1
1 458 . 16 1 1 A 43 43 ALA HA H 43 3.916 4.066 -0.150 1
1 462 . 16 1 1 A 43 43 ALA C C 43 179.884 178.998 0.886 1
1 463 . 16 1 1 A 43 43 ALA CA C 43 55.172 54.856 0.316 1
1 464 . 16 1 1 A 43 43 ALA CB C 43 19.490 18.575 0.915 1
1 465 . 16 1 1 A 43 43 ALA N N 43 123.328 123.040 0.288 1
1 466 . 16 1 1 A 44 44 TYR H H 44 8.662 8.733 -0.071 1
1 467 . 16 1 1 A 44 44 TYR HA H 44 3.742 4.122 -0.380 1
1 474 . 16 1 1 A 44 44 TYR C C 44 177.593 177.392 0.201 1
1 475 . 16 1 1 A 44 44 TYR CA C 44 62.514 61.489 1.025 1
1 476 . 16 1 1 A 44 44 TYR CB C 44 39.211 38.588 0.623 1
1 481 . 16 1 1 A 44 44 TYR N N 44 119.611 119.991 -0.380 1
1 482 . 16 1 1 A 45 45 ILE H H 45 8.445 8.207 0.238 1
1 483 . 16 1 1 A 45 45 ILE HA H 45 3.138 3.510 -0.372 1
1 493 . 16 1 1 A 45 45 ILE C C 45 177.462 177.885 -0.423 1
1 494 . 16 1 1 A 45 45 ILE CA C 45 66.393 64.753 1.640 1
1 495 . 16 1 1 A 45 45 ILE CB C 45 37.810 37.908 -0.098 1
1 499 . 16 1 1 A 45 45 ILE N N 45 118.859 121.063 -2.204 1
1 500 . 16 1 1 A 46 46 ARG H H 46 8.026 7.979 0.047 1
1 501 . 16 1 1 A 46 46 ARG HA H 46 3.635 4.012 -0.377 1
1 506 . 16 1 1 A 46 46 ARG C C 46 177.462 178.345 -0.883 1
1 507 . 16 1 1 A 46 46 ARG CA C 46 60.816 58.906 1.910 1
1 508 . 16 1 1 A 46 46 ARG CB C 46 30.287 30.157 0.130 1
1 510 . 16 1 1 A 46 46 ARG N N 46 117.983 120.688 -2.705 1
1 511 . 16 1 1 A 47 47 ASN H H 47 8.026 8.510 -0.484 1
1 512 . 16 1 1 A 47 47 ASN HA H 47 4.078 4.334 -0.256 1
1 517 . 16 1 1 A 47 47 ASN C C 47 177.648 177.205 0.443 1
1 518 . 16 1 1 A 47 47 ASN CA C 47 56.329 56.852 -0.523 1
1 519 . 16 1 1 A 47 47 ASN CB C 47 38.112 39.492 -1.380 1
1 520 . 16 1 1 A 47 47 ASN N N 47 115.323 118.003 -2.680 1
1 522 . 16 1 1 A 48 48 ALA H H 48 7.809 8.010 -0.201 1
1 523 . 16 1 1 A 48 48 ALA HA H 48 3.792 3.931 -0.139 1
1 527 . 16 1 1 A 48 48 ALA C C 48 179.325 179.953 -0.628 1
1 528 . 16 1 1 A 48 48 ALA CA C 48 54.393 54.718 -0.325 1
1 529 . 16 1 1 A 48 48 ALA CB C 48 16.905 18.010 -1.105 1
1 530 . 16 1 1 A 48 48 ALA N N 48 121.450 121.227 0.223 1
1 531 . 16 1 1 A 49 49 ALA H H 49 7.863 7.632 0.231 1
1 532 . 16 1 1 A 49 49 ALA HA H 49 3.821 4.052 -0.231 1
1 536 . 16 1 1 A 49 49 ALA C C 49 178.503 180.173 -1.670 1
1 537 . 16 1 1 A 49 49 ALA CA C 49 54.016 54.970 -0.954 1
1 538 . 16 1 1 A 49 49 ALA CB C 49 19.693 18.203 1.490 1
1 539 . 16 1 1 A 49 49 ALA N N 49 117.188 120.607 -3.419 1
1 540 . 16 1 1 A 50 50 LEU H H 50 7.610 8.031 -0.421 1
1 541 . 16 1 1 A 50 50 LEU HA H 50 4.062 4.032 0.030 1
1 551 . 16 1 1 A 50 50 LEU C C 50 176.716 178.530 -1.814 1
1 552 . 16 1 1 A 50 50 LEU CA C 50 55.766 57.762 -1.996 1
1 553 . 16 1 1 A 50 50 LEU CB C 50 43.320 41.770 1.550 1
1 557 . 16 1 1 A 50 50 LEU N N 50 116.113 119.375 -3.262 1
1 6 . 17 1 1 A 2 2 ASP HA H 2 4.569 4.588 -0.019 1
1 9 . 17 1 1 A 2 2 ASP C C 2 176.530 175.777 0.753 1
1 10 . 17 1 1 A 2 2 ASP CA C 2 54.589 54.098 0.491 1
1 11 . 17 1 1 A 2 2 ASP CB C 2 41.462 42.195 -0.733 1
1 12 . 17 1 1 A 3 3 SER H H 3 8.267 8.504 -0.237 1
1 13 . 17 1 1 A 3 3 SER HA H 3 4.276 5.053 -0.777 1
1 16 . 17 1 1 A 3 3 SER C C 3 174.667 174.397 0.270 1
1 17 . 17 1 1 A 3 3 SER CA C 3 58.605 57.465 1.140 1
1 18 . 17 1 1 A 3 3 SER CB C 3 63.763 64.615 -0.852 1
1 19 . 17 1 1 A 3 3 SER N N 3 116.529 119.201 -2.672 1
1 20 . 17 1 1 A 4 4 ALA H H 4 8.196 8.789 -0.593 1
1 21 . 17 1 1 A 4 4 ALA HA H 4 4.179 4.053 0.126 1
1 25 . 17 1 1 A 4 4 ALA C C 4 178.021 177.789 0.232 1
1 26 . 17 1 1 A 4 4 ALA CA C 4 52.977 54.248 -1.271 1
1 27 . 17 1 1 A 4 4 ALA CB C 4 19.202 18.565 0.637 1
1 28 . 17 1 1 A 4 4 ALA N N 4 125.751 128.708 -2.957 1
1 29 . 17 1 1 A 5 5 VAL H H 5 7.811 7.480 0.331 1
1 30 . 17 1 1 A 5 5 VAL HA H 5 3.912 3.989 -0.077 1
1 38 . 17 1 1 A 5 5 VAL C C 5 176.344 174.946 1.398 1
1 39 . 17 1 1 A 5 5 VAL CA C 5 62.506 62.776 -0.270 1
1 40 . 17 1 1 A 5 5 VAL CB C 5 32.588 32.401 0.187 1
1 43 . 17 1 1 A 5 5 VAL N N 5 118.872 121.169 -2.297 1
1 44 . 17 1 1 A 6 6 ARG H H 6 8.146 8.856 -0.710 1
1 45 . 17 1 1 A 6 6 ARG HA H 6 4.195 4.989 -0.794 1
1 50 . 17 1 1 A 6 6 ARG C C 6 176.344 174.850 1.494 1
1 51 . 17 1 1 A 6 6 ARG CA C 6 56.173 53.843 2.330 1
1 52 . 17 1 1 A 6 6 ARG CB C 6 30.859 33.959 -3.100 1
1 54 . 17 1 1 A 6 6 ARG N N 6 124.824 125.998 -1.174 1
1 55 . 17 1 1 A 7 7 LYS H H 7 8.207 8.312 -0.105 1
1 56 . 17 1 1 A 7 7 LYS C C 7 176.792 175.523 1.269 1
1 57 . 17 1 1 A 7 7 LYS N N 7 123.109 120.901 2.208 1
1 58 . 17 1 1 A 8 8 LYS H H 8 8.258 8.933 -0.675 1
1 59 . 17 1 1 A 8 8 LYS C C 8 176.903 174.377 2.526 1
1 60 . 17 1 1 A 8 8 LYS N N 8 122.855 118.559 4.296 1
1 61 . 17 1 1 A 9 9 SER H H 9 8.197 8.736 -0.539 1
1 62 . 17 1 1 A 9 9 SER HA H 9 4.243 5.255 -1.012 1
1 65 . 17 1 1 A 9 9 SER C C 9 174.667 173.778 0.889 1
1 66 . 17 1 1 A 9 9 SER CA C 9 58.831 56.383 2.448 1
1 67 . 17 1 1 A 9 9 SER CB C 9 63.763 65.714 -1.951 1
1 68 . 17 1 1 A 9 9 SER N N 9 116.772 113.435 3.337 1
1 69 . 17 1 1 A 10 10 GLU H H 10 8.280 8.535 -0.255 1
1 70 . 17 1 1 A 10 10 GLU HA H 10 4.201 4.744 -0.543 1
1 73 . 17 1 1 A 10 10 GLU C C 10 176.530 177.634 -1.104 1
1 74 . 17 1 1 A 10 10 GLU CA C 10 56.610 55.414 1.196 1
1 75 . 17 1 1 A 10 10 GLU CB C 10 30.511 29.976 0.535 1
1 76 . 17 1 1 A 10 10 GLU N N 10 123.218 119.123 4.095 1
1 77 . 17 1 1 A 11 11 VAL H H 11 8.032 8.123 -0.091 1
1 78 . 17 1 1 A 11 11 VAL HA H 11 3.888 3.843 0.045 1
1 86 . 17 1 1 A 11 11 VAL C C 11 176.344 176.255 0.089 1
1 87 . 17 1 1 A 11 11 VAL CA C 11 62.778 65.336 -2.558 1
1 88 . 17 1 1 A 11 11 VAL CB C 11 32.229 31.666 0.563 1
1 91 . 17 1 1 A 11 11 VAL N N 11 121.505 119.635 1.870 1
1 92 . 17 1 1 A 12 12 ARG H H 12 8.269 7.748 0.521 1
1 93 . 17 1 1 A 12 12 ARG HA H 12 4.195 4.218 -0.023 1
1 98 . 17 1 1 A 12 12 ARG C C 12 176.344 176.448 -0.104 1
1 99 . 17 1 1 A 12 12 ARG CA C 12 56.173 56.160 0.013 1
1 100 . 17 1 1 A 12 12 ARG CB C 12 30.859 30.785 0.074 1
1 102 . 17 1 1 A 12 12 ARG N N 12 124.717 122.837 1.880 1
1 103 . 17 1 1 A 13 13 GLN H H 13 8.246 8.609 -0.363 1
1 104 . 17 1 1 A 13 13 GLN HA H 13 4.208 4.468 -0.260 1
1 111 . 17 1 1 A 13 13 GLN C C 13 175.971 176.775 -0.804 1
1 112 . 17 1 1 A 13 13 GLN CA C 13 55.916 55.457 0.459 1
1 113 . 17 1 1 A 13 13 GLN CB C 13 29.864 27.619 2.245 1
1 115 . 17 1 1 A 13 13 GLN N N 13 121.386 123.555 -2.169 1
1 117 . 17 1 1 A 14 14 LYS H H 14 8.276 7.900 0.376 1
1 118 . 17 1 1 A 14 14 LYS HA H 14 4.149 4.073 0.076 1
1 127 . 17 1 1 A 14 14 LYS C C 14 175.971 176.778 -0.807 1
1 128 . 17 1 1 A 14 14 LYS CA C 14 56.518 58.980 -2.462 1
1 129 . 17 1 1 A 14 14 LYS CB C 14 33.073 32.059 1.014 1
1 133 . 17 1 1 A 14 14 LYS N N 14 123.021 120.236 2.785 1
1 134 . 17 1 1 A 15 15 THR H H 15 7.720 7.581 0.139 1
1 135 . 17 1 1 A 15 15 THR HA H 15 4.225 4.322 -0.097 1
1 140 . 17 1 1 A 15 15 THR C C 15 173.801 173.736 0.065 1
1 141 . 17 1 1 A 15 15 THR CA C 15 62.211 62.965 -0.754 1
1 142 . 17 1 1 A 15 15 THR CB C 15 70.979 69.877 1.102 1
1 144 . 17 1 1 A 15 15 THR N N 15 114.171 115.697 -1.526 1
1 145 . 17 1 1 A 16 16 VAL H H 16 9.143 8.412 0.731 1
1 146 . 17 1 1 A 16 16 VAL HA H 16 4.004 4.383 -0.379 1
1 154 . 17 1 1 A 16 16 VAL C C 16 174.853 174.790 0.063 1
1 155 . 17 1 1 A 16 16 VAL CA C 16 62.452 62.551 -0.099 1
1 156 . 17 1 1 A 16 16 VAL CB C 16 33.361 32.560 0.801 1
1 159 . 17 1 1 A 16 16 VAL N N 16 126.087 126.720 -0.633 1
1 160 . 17 1 1 A 17 17 VAL H H 17 8.364 8.588 -0.224 1
1 161 . 17 1 1 A 17 17 VAL HA H 17 4.653 4.814 -0.161 1
1 169 . 17 1 1 A 17 17 VAL C C 17 176.716 174.198 2.518 1
1 170 . 17 1 1 A 17 17 VAL CA C 17 61.419 60.203 1.216 1
1 171 . 17 1 1 A 17 17 VAL CB C 17 33.022 34.844 -1.822 1
1 174 . 17 1 1 A 17 17 VAL N N 17 127.119 126.575 0.544 1
1 175 . 17 1 1 A 18 18 ARG H H 18 9.038 8.776 0.262 1
1 176 . 17 1 1 A 18 18 ARG HA H 18 4.669 4.841 -0.172 1
1 181 . 17 1 1 A 18 18 ARG C C 18 174.480 173.674 0.806 1
1 182 . 17 1 1 A 18 18 ARG CA C 18 54.148 54.768 -0.620 1
1 183 . 17 1 1 A 18 18 ARG CB C 18 33.202 32.953 0.249 1
1 185 . 17 1 1 A 18 18 ARG N N 18 126.432 128.950 -2.518 1
1 186 . 17 1 1 A 19 19 THR H H 19 8.536 8.488 0.048 1
1 187 . 17 1 1 A 19 19 THR HA H 19 4.727 5.090 -0.363 1
1 192 . 17 1 1 A 19 19 THR C C 19 173.644 173.349 0.295 1
1 193 . 17 1 1 A 19 19 THR CA C 19 62.000 61.824 0.176 1
1 194 . 17 1 1 A 19 19 THR CB C 19 69.919 71.562 -1.643 1
1 196 . 17 1 1 A 19 19 THR N N 19 118.670 115.808 2.862 1
1 197 . 17 1 1 A 20 20 LEU H H 20 8.972 9.007 -0.035 1
1 198 . 17 1 1 A 20 20 LEU HA H 20 4.430 5.001 -0.571 1
1 208 . 17 1 1 A 20 20 LEU C C 20 174.294 175.655 -1.361 1
1 209 . 17 1 1 A 20 20 LEU CA C 20 52.892 53.363 -0.471 1
1 210 . 17 1 1 A 20 20 LEU CB C 20 45.825 45.892 -0.067 1
1 214 . 17 1 1 A 20 20 LEU N N 20 128.320 125.541 2.779 1
1 215 . 17 1 1 A 21 21 ARG H H 21 7.938 8.131 -0.193 1
1 216 . 17 1 1 A 21 21 ARG HA H 21 4.945 5.117 -0.172 1
1 223 . 17 1 1 A 21 21 ARG C C 21 175.333 174.357 0.976 1
1 224 . 17 1 1 A 21 21 ARG CA C 21 54.721 54.249 0.472 1
1 225 . 17 1 1 A 21 21 ARG CB C 21 32.512 34.008 -1.496 1
1 228 . 17 1 1 A 21 21 ARG N N 21 119.462 119.633 -0.171 1
1 229 . 17 1 1 A 22 22 PHE H H 22 9.021 9.113 -0.092 1
1 230 . 17 1 1 A 22 22 PHE HA H 22 4.777 5.004 -0.227 1
1 238 . 17 1 1 A 22 22 PHE C C 22 175.039 175.389 -0.350 1
1 239 . 17 1 1 A 22 22 PHE CA C 22 56.549 56.940 -0.391 1
1 240 . 17 1 1 A 22 22 PHE CB C 22 43.356 43.122 0.234 1
1 246 . 17 1 1 A 22 22 PHE N N 22 120.286 121.945 -1.659 1
1 247 . 17 1 1 A 23 23 SER H H 23 9.411 9.047 0.364 1
1 248 . 17 1 1 A 23 23 SER HA H 23 4.937 4.727 0.210 1
1 249 . 17 1 1 A 23 23 SER C C 23 177.544 174.745 2.799 1
1 250 . 17 1 1 A 23 23 SER CA C 23 56.727 57.473 -0.746 1
1 251 . 17 1 1 A 23 23 SER N N 23 119.420 119.396 0.024 1
1 252 . 17 1 1 A 24 24 PRO HA H 24 4.095 4.273 -0.178 1
1 259 . 17 1 1 A 24 24 PRO C C 24 179.325 178.817 0.508 1
1 260 . 17 1 1 A 24 24 PRO CA C 24 66.570 65.824 0.746 1
1 261 . 17 1 1 A 24 24 PRO CB C 24 31.862 31.698 0.164 1
1 264 . 17 1 1 A 25 25 VAL H H 25 7.563 7.621 -0.058 1
1 265 . 17 1 1 A 25 25 VAL HA H 25 3.779 3.766 0.013 1
1 273 . 17 1 1 A 25 25 VAL C C 25 178.846 177.790 1.056 1
1 274 . 17 1 1 A 25 25 VAL CA C 25 65.693 65.703 -0.010 1
1 275 . 17 1 1 A 25 25 VAL CB C 25 32.040 31.035 1.005 1
1 278 . 17 1 1 A 25 25 VAL N N 25 116.405 115.759 0.646 1
1 279 . 17 1 1 A 26 26 GLU H H 26 7.512 8.182 -0.670 1
1 280 . 17 1 1 A 26 26 GLU HA H 26 3.838 4.028 -0.190 1
1 285 . 17 1 1 A 26 26 GLU C C 26 178.766 179.194 -0.428 1
1 286 . 17 1 1 A 26 26 GLU CA C 26 58.902 59.761 -0.859 1
1 287 . 17 1 1 A 26 26 GLU CB C 26 30.798 29.591 1.207 1
1 289 . 17 1 1 A 26 26 GLU N N 26 122.557 118.988 3.569 1
1 290 . 17 1 1 A 27 27 ASP H H 27 8.669 8.609 0.060 1
1 291 . 17 1 1 A 27 27 ASP HA H 27 3.900 4.183 -0.283 1
1 294 . 17 1 1 A 27 27 ASP C C 27 177.586 178.782 -1.196 1
1 295 . 17 1 1 A 27 27 ASP CA C 27 57.954 57.655 0.299 1
1 296 . 17 1 1 A 27 27 ASP CB C 27 43.617 41.743 1.874 1
1 297 . 17 1 1 A 27 27 ASP N N 27 118.012 119.934 -1.922 1
1 298 . 17 1 1 A 28 28 GLU H H 28 7.875 8.292 -0.417 1
1 299 . 17 1 1 A 28 28 GLU HA H 28 3.738 4.061 -0.323 1
1 302 . 17 1 1 A 28 28 GLU C C 28 178.837 179.344 -0.507 1
1 303 . 17 1 1 A 28 28 GLU CA C 28 59.710 59.180 0.530 1
1 304 . 17 1 1 A 28 28 GLU CB C 28 29.550 29.296 0.254 1
1 305 . 17 1 1 A 28 28 GLU N N 28 118.040 118.932 -0.892 1
1 306 . 17 1 1 A 29 29 THR H H 29 7.662 8.009 -0.347 1
1 307 . 17 1 1 A 29 29 THR HA H 29 3.739 3.958 -0.219 1
1 312 . 17 1 1 A 29 29 THR C C 29 176.344 175.925 0.419 1
1 313 . 17 1 1 A 29 29 THR CA C 29 66.756 67.118 -0.362 1
1 314 . 17 1 1 A 29 29 THR CB C 29 68.663 68.662 0.001 1
1 316 . 17 1 1 A 29 29 THR N N 29 116.635 116.984 -0.349 1
1 317 . 17 1 1 A 30 30 ILE H H 30 7.875 8.180 -0.305 1
1 318 . 17 1 1 A 30 30 ILE HA H 30 3.159 3.310 -0.151 1
1 328 . 17 1 1 A 30 30 ILE C C 30 176.903 177.811 -0.908 1
1 329 . 17 1 1 A 30 30 ILE CA C 30 65.390 65.378 0.012 1
1 330 . 17 1 1 A 30 30 ILE CB C 30 37.356 37.507 -0.151 1
1 334 . 17 1 1 A 30 30 ILE N N 30 121.804 121.004 0.800 1
1 335 . 17 1 1 A 31 31 ARG H H 31 8.502 8.170 0.332 1
1 336 . 17 1 1 A 31 31 ARG HA H 31 3.508 3.740 -0.232 1
1 343 . 17 1 1 A 31 31 ARG C C 31 179.262 178.702 0.560 1
1 344 . 17 1 1 A 31 31 ARG CA C 31 60.462 59.765 0.697 1
1 345 . 17 1 1 A 31 31 ARG CB C 31 30.075 29.828 0.247 1
1 348 . 17 1 1 A 31 31 ARG N N 31 119.175 120.260 -1.085 1
1 349 . 17 1 1 A 32 32 LYS H H 32 7.497 7.799 -0.302 1
1 350 . 17 1 1 A 32 32 LYS HA H 32 3.884 4.013 -0.129 1
1 357 . 17 1 1 A 32 32 LYS C C 32 178.207 179.626 -1.419 1
1 358 . 17 1 1 A 32 32 LYS CA C 32 59.176 59.569 -0.393 1
1 359 . 17 1 1 A 32 32 LYS CB C 32 32.020 32.105 -0.085 1
1 362 . 17 1 1 A 32 32 LYS N N 32 119.486 118.077 1.409 1
1 363 . 17 1 1 A 33 33 LYS H H 33 7.540 8.033 -0.493 1
1 366 . 17 1 1 A 33 33 LYS C C 33 179.884 178.934 0.950 1
1 367 . 17 1 1 A 33 33 LYS CB C 33 32.095 32.200 -0.105 1
1 368 . 17 1 1 A 33 33 LYS N N 33 119.050 119.677 -0.627 1
1 369 . 17 1 1 A 34 34 ALA H H 34 8.208 8.018 0.190 1
1 370 . 17 1 1 A 34 34 ALA HA H 34 3.448 4.032 -0.584 1
1 374 . 17 1 1 A 34 34 ALA C C 34 179.325 178.871 0.454 1
1 375 . 17 1 1 A 34 34 ALA CA C 34 55.826 55.162 0.664 1
1 376 . 17 1 1 A 34 34 ALA CB C 34 17.665 17.902 -0.237 1
1 377 . 17 1 1 A 34 34 ALA N N 34 122.909 121.629 1.280 1
1 378 . 17 1 1 A 35 35 GLU H H 35 7.997 8.290 -0.293 1
1 379 . 17 1 1 A 35 35 GLU HA H 35 3.877 4.063 -0.186 1
1 382 . 17 1 1 A 35 35 GLU C C 35 181.002 178.310 2.692 1
1 383 . 17 1 1 A 35 35 GLU CA C 35 59.737 58.883 0.854 1
1 384 . 17 1 1 A 35 35 GLU CB C 35 29.381 29.170 0.211 1
1 385 . 17 1 1 A 35 35 GLU N N 35 119.482 118.250 1.232 1
1 386 . 17 1 1 A 36 36 ASP H H 36 8.405 8.418 -0.013 1
1 387 . 17 1 1 A 36 36 ASP HA H 36 4.279 4.402 -0.123 1
1 390 . 17 1 1 A 36 36 ASP C C 36 177.834 178.088 -0.254 1
1 391 . 17 1 1 A 36 36 ASP CA C 36 57.178 57.417 -0.239 1
1 392 . 17 1 1 A 36 36 ASP CB C 36 40.502 41.230 -0.728 1
1 393 . 17 1 1 A 36 36 ASP N N 36 120.553 120.815 -0.262 1
1 394 . 17 1 1 A 37 37 SER H H 37 7.481 7.721 -0.240 1
1 395 . 17 1 1 A 37 37 SER HA H 37 4.450 4.536 -0.086 1
1 398 . 17 1 1 A 37 37 SER C C 37 174.294 174.899 -0.605 1
1 399 . 17 1 1 A 37 37 SER CA C 37 59.149 58.299 0.850 1
1 400 . 17 1 1 A 37 37 SER CB C 37 64.866 63.702 1.164 1
1 401 . 17 1 1 A 37 37 SER N N 37 112.666 112.964 -0.298 1
1 402 . 17 1 1 A 38 38 GLY H H 38 7.871 8.351 -0.480 1
1 403 . 17 1 1 A 38 38 GLY HA2 H 38 3.895 3.906 -0.011 1
1 404 . 17 1 1 A 38 38 GLY HA3 H 38 3.772 3.912 -0.140 1
1 405 . 17 1 1 A 38 38 GLY C C 38 174.108 174.090 0.018 1
1 406 . 17 1 1 A 38 38 GLY CA C 38 46.433 45.775 0.658 1
1 407 . 17 1 1 A 38 38 GLY N N 38 110.893 110.177 0.716 1
1 408 . 17 1 1 A 39 39 LEU H H 39 7.850 7.621 0.229 1
1 409 . 17 1 1 A 39 39 LEU HA H 39 4.782 4.458 0.324 1
1 419 . 17 1 1 A 39 39 LEU C C 39 177.538 175.923 1.615 1
1 420 . 17 1 1 A 39 39 LEU CA C 39 53.141 53.891 -0.750 1
1 421 . 17 1 1 A 39 39 LEU CB C 39 47.097 43.113 3.984 1
1 425 . 17 1 1 A 39 39 LEU N N 39 119.947 123.287 -3.340 1
1 426 . 17 1 1 A 40 40 THR H H 40 7.654 8.621 -0.967 1
1 427 . 17 1 1 A 40 40 THR HA H 40 4.234 4.307 -0.073 1
1 432 . 17 1 1 A 40 40 THR C C 40 175.658 175.874 -0.216 1
1 433 . 17 1 1 A 40 40 THR CA C 40 61.188 62.541 -1.353 1
1 434 . 17 1 1 A 40 40 THR CB C 40 70.501 69.266 1.235 1
1 436 . 17 1 1 A 40 40 THR N N 40 109.345 119.535 -10.190 1
1 437 . 17 1 1 A 41 41 VAL H H 41 8.721 8.730 -0.009 1
1 438 . 17 1 1 A 41 41 VAL HA H 41 3.239 3.654 -0.415 1
1 446 . 17 1 1 A 41 41 VAL C C 41 178.021 177.382 0.639 1
1 447 . 17 1 1 A 41 41 VAL CA C 41 68.189 66.621 1.568 1
1 448 . 17 1 1 A 41 41 VAL CB C 41 31.300 31.602 -0.302 1
1 451 . 17 1 1 A 41 41 VAL N N 41 121.470 128.182 -6.712 1
1 452 . 17 1 1 A 42 42 SER H H 42 8.424 8.318 0.106 1
1 453 . 17 1 1 A 42 42 SER HA H 42 3.742 4.248 -0.506 1
1 454 . 17 1 1 A 42 42 SER C C 42 175.785 177.135 -1.350 1
1 455 . 17 1 1 A 42 42 SER CA C 42 62.514 61.449 1.065 1
1 456 . 17 1 1 A 42 42 SER N N 42 113.251 114.070 -0.819 1
1 457 . 17 1 1 A 43 43 ALA H H 43 7.494 7.484 0.010 1
1 458 . 17 1 1 A 43 43 ALA HA H 43 3.916 4.120 -0.204 1
1 462 . 17 1 1 A 43 43 ALA C C 43 179.884 179.275 0.609 1
1 463 . 17 1 1 A 43 43 ALA CA C 43 55.172 55.053 0.119 1
1 464 . 17 1 1 A 43 43 ALA CB C 43 19.490 18.523 0.967 1
1 465 . 17 1 1 A 43 43 ALA N N 43 123.328 124.504 -1.176 1
1 466 . 17 1 1 A 44 44 TYR H H 44 8.662 8.503 0.159 1
1 467 . 17 1 1 A 44 44 TYR HA H 44 3.742 4.145 -0.403 1
1 474 . 17 1 1 A 44 44 TYR C C 44 177.593 177.352 0.241 1
1 475 . 17 1 1 A 44 44 TYR CA C 44 62.514 61.411 1.103 1
1 476 . 17 1 1 A 44 44 TYR CB C 44 39.211 38.660 0.551 1
1 481 . 17 1 1 A 44 44 TYR N N 44 119.611 120.092 -0.481 1
1 482 . 17 1 1 A 45 45 ILE H H 45 8.445 8.800 -0.355 1
1 483 . 17 1 1 A 45 45 ILE HA H 45 3.138 3.676 -0.538 1
1 493 . 17 1 1 A 45 45 ILE C C 45 177.462 177.799 -0.337 1
1 494 . 17 1 1 A 45 45 ILE CA C 45 66.393 64.819 1.574 1
1 495 . 17 1 1 A 45 45 ILE CB C 45 37.810 37.891 -0.081 1
1 499 . 17 1 1 A 45 45 ILE N N 45 118.859 121.245 -2.386 1
1 500 . 17 1 1 A 46 46 ARG H H 46 8.026 8.043 -0.017 1
1 501 . 17 1 1 A 46 46 ARG HA H 46 3.635 4.004 -0.369 1
1 506 . 17 1 1 A 46 46 ARG C C 46 177.462 177.886 -0.424 1
1 507 . 17 1 1 A 46 46 ARG CA C 46 60.816 58.834 1.982 1
1 508 . 17 1 1 A 46 46 ARG CB C 46 30.287 30.169 0.118 1
1 510 . 17 1 1 A 46 46 ARG N N 46 117.983 121.353 -3.370 1
1 511 . 17 1 1 A 47 47 ASN H H 47 8.026 8.410 -0.384 1
1 512 . 17 1 1 A 47 47 ASN HA H 47 4.078 4.387 -0.309 1
1 517 . 17 1 1 A 47 47 ASN C C 47 177.648 177.196 0.452 1
1 518 . 17 1 1 A 47 47 ASN CA C 47 56.329 56.545 -0.216 1
1 519 . 17 1 1 A 47 47 ASN CB C 47 38.112 39.161 -1.049 1
1 520 . 17 1 1 A 47 47 ASN N N 47 115.323 117.958 -2.635 1
1 522 . 17 1 1 A 48 48 ALA H H 48 7.809 8.150 -0.341 1
1 523 . 17 1 1 A 48 48 ALA HA H 48 3.792 3.883 -0.091 1
1 527 . 17 1 1 A 48 48 ALA C C 48 179.325 180.263 -0.938 1
1 528 . 17 1 1 A 48 48 ALA CA C 48 54.393 54.747 -0.354 1
1 529 . 17 1 1 A 48 48 ALA CB C 48 16.905 17.838 -0.933 1
1 530 . 17 1 1 A 48 48 ALA N N 48 121.450 121.268 0.182 1
1 531 . 17 1 1 A 49 49 ALA H H 49 7.863 7.990 -0.127 1
1 532 . 17 1 1 A 49 49 ALA HA H 49 3.821 4.042 -0.221 1
1 536 . 17 1 1 A 49 49 ALA C C 49 178.503 178.449 0.054 1
1 537 . 17 1 1 A 49 49 ALA CA C 49 54.016 54.438 -0.422 1
1 538 . 17 1 1 A 49 49 ALA CB C 49 19.693 18.180 1.513 1
1 539 . 17 1 1 A 49 49 ALA N N 49 117.188 120.120 -2.932 1
1 540 . 17 1 1 A 50 50 LEU H H 50 7.610 7.218 0.392 1
1 541 . 17 1 1 A 50 50 LEU HA H 50 4.062 4.289 -0.227 1
1 551 . 17 1 1 A 50 50 LEU C C 50 176.716 177.432 -0.716 1
1 552 . 17 1 1 A 50 50 LEU CA C 50 55.766 55.560 0.206 1
1 553 . 17 1 1 A 50 50 LEU CB C 50 43.320 42.739 0.581 1
1 557 . 17 1 1 A 50 50 LEU N N 50 116.113 115.067 1.046 1
1 6 . 18 1 1 A 2 2 ASP HA H 2 4.569 4.505 0.064 1
1 9 . 18 1 1 A 2 2 ASP C C 2 176.530 176.797 -0.267 1
1 10 . 18 1 1 A 2 2 ASP CA C 2 54.589 55.745 -1.156 1
1 11 . 18 1 1 A 2 2 ASP CB C 2 41.462 39.909 1.553 1
1 12 . 18 1 1 A 3 3 SER H H 3 8.267 8.688 -0.421 1
1 13 . 18 1 1 A 3 3 SER HA H 3 4.276 4.268 0.008 1
1 16 . 18 1 1 A 3 3 SER C C 3 174.667 174.392 0.275 1
1 17 . 18 1 1 A 3 3 SER CA C 3 58.605 58.312 0.293 1
1 18 . 18 1 1 A 3 3 SER CB C 3 63.763 62.489 1.274 1
1 19 . 18 1 1 A 3 3 SER N N 3 116.529 114.805 1.724 1
1 20 . 18 1 1 A 4 4 ALA H H 4 8.196 8.362 -0.166 1
1 21 . 18 1 1 A 4 4 ALA HA H 4 4.179 3.958 0.221 1
1 25 . 18 1 1 A 4 4 ALA C C 4 178.021 179.399 -1.378 1
1 26 . 18 1 1 A 4 4 ALA CA C 4 52.977 54.526 -1.549 1
1 27 . 18 1 1 A 4 4 ALA CB C 4 19.202 18.453 0.749 1
1 28 . 18 1 1 A 4 4 ALA N N 4 125.751 125.431 0.320 1
1 29 . 18 1 1 A 5 5 VAL H H 5 7.811 7.679 0.132 1
1 30 . 18 1 1 A 5 5 VAL HA H 5 3.912 3.842 0.070 1
1 38 . 18 1 1 A 5 5 VAL C C 5 176.344 175.579 0.765 1
1 39 . 18 1 1 A 5 5 VAL CA C 5 62.506 64.604 -2.098 1
1 40 . 18 1 1 A 5 5 VAL CB C 5 32.588 31.912 0.676 1
1 43 . 18 1 1 A 5 5 VAL N N 5 118.872 117.402 1.470 1
1 44 . 18 1 1 A 6 6 ARG H H 6 8.146 7.360 0.786 1
1 45 . 18 1 1 A 6 6 ARG HA H 6 4.195 4.747 -0.552 1
1 50 . 18 1 1 A 6 6 ARG C C 6 176.344 175.988 0.356 1
1 51 . 18 1 1 A 6 6 ARG CA C 6 56.173 54.900 1.273 1
1 52 . 18 1 1 A 6 6 ARG CB C 6 30.859 33.087 -2.228 1
1 54 . 18 1 1 A 6 6 ARG N N 6 124.824 121.326 3.498 1
1 55 . 18 1 1 A 7 7 LYS H H 7 8.207 8.695 -0.488 1
1 56 . 18 1 1 A 7 7 LYS C C 7 176.792 176.924 -0.132 1
1 57 . 18 1 1 A 7 7 LYS N N 7 123.109 125.278 -2.169 1
1 58 . 18 1 1 A 8 8 LYS H H 8 8.258 7.650 0.608 1
1 59 . 18 1 1 A 8 8 LYS C C 8 176.903 174.449 2.454 1
1 60 . 18 1 1 A 8 8 LYS N N 8 122.855 117.423 5.432 1
1 61 . 18 1 1 A 9 9 SER H H 9 8.197 8.733 -0.536 1
1 62 . 18 1 1 A 9 9 SER HA H 9 4.243 4.935 -0.692 1
1 65 . 18 1 1 A 9 9 SER C C 9 174.667 173.264 1.403 1
1 66 . 18 1 1 A 9 9 SER CA C 9 58.831 56.756 2.075 1
1 67 . 18 1 1 A 9 9 SER CB C 9 63.763 64.787 -1.024 1
1 68 . 18 1 1 A 9 9 SER N N 9 116.772 114.625 2.147 1
1 69 . 18 1 1 A 10 10 GLU H H 10 8.280 8.703 -0.423 1
1 70 . 18 1 1 A 10 10 GLU HA H 10 4.201 4.568 -0.367 1
1 73 . 18 1 1 A 10 10 GLU C C 10 176.530 176.927 -0.397 1
1 74 . 18 1 1 A 10 10 GLU CA C 10 56.610 55.746 0.864 1
1 75 . 18 1 1 A 10 10 GLU CB C 10 30.511 30.105 0.406 1
1 76 . 18 1 1 A 10 10 GLU N N 10 123.218 124.564 -1.346 1
1 77 . 18 1 1 A 11 11 VAL H H 11 8.032 7.490 0.542 1
1 78 . 18 1 1 A 11 11 VAL HA H 11 3.888 3.962 -0.074 1
1 86 . 18 1 1 A 11 11 VAL C C 11 176.344 175.622 0.722 1
1 87 . 18 1 1 A 11 11 VAL CA C 11 62.778 62.099 0.679 1
1 88 . 18 1 1 A 11 11 VAL CB C 11 32.229 32.507 -0.278 1
1 91 . 18 1 1 A 11 11 VAL N N 11 121.505 118.468 3.037 1
1 92 . 18 1 1 A 12 12 ARG H H 12 8.269 9.049 -0.780 1
1 93 . 18 1 1 A 12 12 ARG HA H 12 4.195 4.394 -0.199 1
1 98 . 18 1 1 A 12 12 ARG C C 12 176.344 176.631 -0.287 1
1 99 . 18 1 1 A 12 12 ARG CA C 12 56.173 57.343 -1.170 1
1 100 . 18 1 1 A 12 12 ARG CB C 12 30.859 30.790 0.069 1
1 102 . 18 1 1 A 12 12 ARG N N 12 124.717 124.907 -0.190 1
1 103 . 18 1 1 A 13 13 GLN H H 13 8.246 7.405 0.841 1
1 104 . 18 1 1 A 13 13 GLN HA H 13 4.208 4.529 -0.321 1
1 111 . 18 1 1 A 13 13 GLN C C 13 175.971 176.707 -0.736 1
1 112 . 18 1 1 A 13 13 GLN CA C 13 55.916 54.686 1.230 1
1 113 . 18 1 1 A 13 13 GLN CB C 13 29.864 27.731 2.133 1
1 115 . 18 1 1 A 13 13 GLN N N 13 121.386 119.442 1.944 1
1 117 . 18 1 1 A 14 14 LYS H H 14 8.276 8.013 0.263 1
1 118 . 18 1 1 A 14 14 LYS HA H 14 4.149 4.088 0.061 1
1 127 . 18 1 1 A 14 14 LYS C C 14 175.971 176.524 -0.553 1
1 128 . 18 1 1 A 14 14 LYS CA C 14 56.518 58.784 -2.266 1
1 129 . 18 1 1 A 14 14 LYS CB C 14 33.073 32.203 0.870 1
1 133 . 18 1 1 A 14 14 LYS N N 14 123.021 123.818 -0.797 1
1 134 . 18 1 1 A 15 15 THR H H 15 7.720 7.598 0.122 1
1 135 . 18 1 1 A 15 15 THR HA H 15 4.225 4.284 -0.059 1
1 140 . 18 1 1 A 15 15 THR C C 15 173.801 174.228 -0.427 1
1 141 . 18 1 1 A 15 15 THR CA C 15 62.211 62.119 0.092 1
1 142 . 18 1 1 A 15 15 THR CB C 15 70.979 70.014 0.965 1
1 144 . 18 1 1 A 15 15 THR N N 15 114.171 116.012 -1.841 1
1 145 . 18 1 1 A 16 16 VAL H H 16 9.143 8.364 0.779 1
1 146 . 18 1 1 A 16 16 VAL HA H 16 4.004 4.588 -0.584 1
1 154 . 18 1 1 A 16 16 VAL C C 16 174.853 175.030 -0.177 1
1 155 . 18 1 1 A 16 16 VAL CA C 16 62.452 61.522 0.930 1
1 156 . 18 1 1 A 16 16 VAL CB C 16 33.361 33.299 0.062 1
1 159 . 18 1 1 A 16 16 VAL N N 16 126.087 124.709 1.378 1
1 160 . 18 1 1 A 17 17 VAL H H 17 8.364 8.617 -0.253 1
1 161 . 18 1 1 A 17 17 VAL HA H 17 4.653 4.740 -0.087 1
1 169 . 18 1 1 A 17 17 VAL C C 17 176.716 173.680 3.036 1
1 170 . 18 1 1 A 17 17 VAL CA C 17 61.419 60.742 0.677 1
1 171 . 18 1 1 A 17 17 VAL CB C 17 33.022 33.716 -0.694 1
1 174 . 18 1 1 A 17 17 VAL N N 17 127.119 124.805 2.314 1
1 175 . 18 1 1 A 18 18 ARG H H 18 9.038 8.764 0.274 1
1 176 . 18 1 1 A 18 18 ARG HA H 18 4.669 4.898 -0.229 1
1 181 . 18 1 1 A 18 18 ARG C C 18 174.480 175.271 -0.791 1
1 182 . 18 1 1 A 18 18 ARG CA C 18 54.148 53.671 0.477 1
1 183 . 18 1 1 A 18 18 ARG CB C 18 33.202 34.749 -1.547 1
1 185 . 18 1 1 A 18 18 ARG N N 18 126.432 128.099 -1.667 1
1 186 . 18 1 1 A 19 19 THR H H 19 8.536 8.744 -0.208 1
1 187 . 18 1 1 A 19 19 THR HA H 19 4.727 4.574 0.153 1
1 192 . 18 1 1 A 19 19 THR C C 19 173.644 173.125 0.519 1
1 193 . 18 1 1 A 19 19 THR CA C 19 62.000 62.635 -0.635 1
1 194 . 18 1 1 A 19 19 THR CB C 19 69.919 68.363 1.556 1
1 196 . 18 1 1 A 19 19 THR N N 19 118.670 116.989 1.681 1
1 197 . 18 1 1 A 20 20 LEU H H 20 8.972 9.064 -0.092 1
1 198 . 18 1 1 A 20 20 LEU HA H 20 4.430 4.743 -0.313 1
1 208 . 18 1 1 A 20 20 LEU C C 20 174.294 175.392 -1.098 1
1 209 . 18 1 1 A 20 20 LEU CA C 20 52.892 53.929 -1.037 1
1 210 . 18 1 1 A 20 20 LEU CB C 20 45.825 42.555 3.270 1
1 214 . 18 1 1 A 20 20 LEU N N 20 128.320 129.585 -1.265 1
1 215 . 18 1 1 A 21 21 ARG H H 21 7.938 8.478 -0.540 1
1 216 . 18 1 1 A 21 21 ARG HA H 21 4.945 4.627 0.318 1
1 223 . 18 1 1 A 21 21 ARG C C 21 175.333 175.013 0.320 1
1 224 . 18 1 1 A 21 21 ARG CA C 21 54.721 56.388 -1.667 1
1 225 . 18 1 1 A 21 21 ARG CB C 21 32.512 31.772 0.740 1
1 228 . 18 1 1 A 21 21 ARG N N 21 119.462 126.711 -7.249 1
1 229 . 18 1 1 A 22 22 PHE H H 22 9.021 8.835 0.186 1
1 230 . 18 1 1 A 22 22 PHE HA H 22 4.777 5.429 -0.652 1
1 238 . 18 1 1 A 22 22 PHE C C 22 175.039 174.336 0.703 1
1 239 . 18 1 1 A 22 22 PHE CA C 22 56.549 56.318 0.231 1
1 240 . 18 1 1 A 22 22 PHE CB C 22 43.356 44.333 -0.977 1
1 246 . 18 1 1 A 22 22 PHE N N 22 120.286 119.441 0.845 1
1 247 . 18 1 1 A 23 23 SER H H 23 9.411 8.924 0.487 1
1 248 . 18 1 1 A 23 23 SER HA H 23 4.937 4.894 0.043 1
1 249 . 18 1 1 A 23 23 SER C C 23 177.544 175.087 2.457 1
1 250 . 18 1 1 A 23 23 SER CA C 23 56.727 56.216 0.511 1
1 251 . 18 1 1 A 23 23 SER N N 23 119.420 117.307 2.113 1
1 252 . 18 1 1 A 24 24 PRO HA H 24 4.095 4.440 -0.345 1
1 259 . 18 1 1 A 24 24 PRO C C 24 179.325 178.183 1.142 1
1 260 . 18 1 1 A 24 24 PRO CA C 24 66.570 64.665 1.905 1
1 261 . 18 1 1 A 24 24 PRO CB C 24 31.862 31.990 -0.128 1
1 264 . 18 1 1 A 25 25 VAL H H 25 7.563 7.256 0.307 1
1 265 . 18 1 1 A 25 25 VAL HA H 25 3.779 3.846 -0.067 1
1 273 . 18 1 1 A 25 25 VAL C C 25 178.846 177.942 0.904 1
1 274 . 18 1 1 A 25 25 VAL CA C 25 65.693 65.117 0.576 1
1 275 . 18 1 1 A 25 25 VAL CB C 25 32.040 31.605 0.435 1
1 278 . 18 1 1 A 25 25 VAL N N 25 116.405 117.762 -1.357 1
1 279 . 18 1 1 A 26 26 GLU H H 26 7.512 8.416 -0.904 1
1 280 . 18 1 1 A 26 26 GLU HA H 26 3.838 4.046 -0.208 1
1 285 . 18 1 1 A 26 26 GLU C C 26 178.766 178.725 0.041 1
1 286 . 18 1 1 A 26 26 GLU CA C 26 58.902 59.564 -0.662 1
1 287 . 18 1 1 A 26 26 GLU CB C 26 30.798 29.313 1.485 1
1 289 . 18 1 1 A 26 26 GLU N N 26 122.557 119.390 3.167 1
1 290 . 18 1 1 A 27 27 ASP H H 27 8.669 8.629 0.040 1
1 291 . 18 1 1 A 27 27 ASP HA H 27 3.900 4.173 -0.273 1
1 294 . 18 1 1 A 27 27 ASP C C 27 177.586 178.112 -0.526 1
1 295 . 18 1 1 A 27 27 ASP CA C 27 57.954 57.708 0.246 1
1 296 . 18 1 1 A 27 27 ASP CB C 27 43.617 42.078 1.539 1
1 297 . 18 1 1 A 27 27 ASP N N 27 118.012 120.602 -2.590 1
1 298 . 18 1 1 A 28 28 GLU H H 28 7.875 8.135 -0.260 1
1 299 . 18 1 1 A 28 28 GLU HA H 28 3.738 3.963 -0.225 1
1 302 . 18 1 1 A 28 28 GLU C C 28 178.837 178.809 0.028 1
1 303 . 18 1 1 A 28 28 GLU CA C 28 59.710 59.343 0.367 1
1 304 . 18 1 1 A 28 28 GLU CB C 28 29.550 29.599 -0.049 1
1 305 . 18 1 1 A 28 28 GLU N N 28 118.040 119.055 -1.015 1
1 306 . 18 1 1 A 29 29 THR H H 29 7.662 8.019 -0.357 1
1 307 . 18 1 1 A 29 29 THR HA H 29 3.739 3.929 -0.190 1
1 312 . 18 1 1 A 29 29 THR C C 29 176.344 176.098 0.246 1
1 313 . 18 1 1 A 29 29 THR CA C 29 66.756 67.278 -0.522 1
1 314 . 18 1 1 A 29 29 THR CB C 29 68.663 68.866 -0.203 1
1 316 . 18 1 1 A 29 29 THR N N 29 116.635 115.728 0.907 1
1 317 . 18 1 1 A 30 30 ILE H H 30 7.875 8.017 -0.142 1
1 318 . 18 1 1 A 30 30 ILE HA H 30 3.159 3.400 -0.241 1
1 328 . 18 1 1 A 30 30 ILE C C 30 176.903 178.023 -1.120 1
1 329 . 18 1 1 A 30 30 ILE CA C 30 65.390 65.530 -0.140 1
1 330 . 18 1 1 A 30 30 ILE CB C 30 37.356 37.533 -0.177 1
1 334 . 18 1 1 A 30 30 ILE N N 30 121.804 121.253 0.551 1
1 335 . 18 1 1 A 31 31 ARG H H 31 8.502 8.192 0.310 1
1 336 . 18 1 1 A 31 31 ARG HA H 31 3.508 3.741 -0.233 1
1 343 . 18 1 1 A 31 31 ARG C C 31 179.262 178.696 0.566 1
1 344 . 18 1 1 A 31 31 ARG CA C 31 60.462 59.692 0.770 1
1 345 . 18 1 1 A 31 31 ARG CB C 31 30.075 29.606 0.469 1
1 348 . 18 1 1 A 31 31 ARG N N 31 119.175 120.238 -1.063 1
1 349 . 18 1 1 A 32 32 LYS H H 32 7.497 7.893 -0.396 1
1 350 . 18 1 1 A 32 32 LYS HA H 32 3.884 4.012 -0.128 1
1 357 . 18 1 1 A 32 32 LYS C C 32 178.207 179.392 -1.185 1
1 358 . 18 1 1 A 32 32 LYS CA C 32 59.176 59.602 -0.426 1
1 359 . 18 1 1 A 32 32 LYS CB C 32 32.020 32.171 -0.151 1
1 362 . 18 1 1 A 32 32 LYS N N 32 119.486 118.054 1.432 1
1 363 . 18 1 1 A 33 33 LYS H H 33 7.540 7.943 -0.403 1
1 366 . 18 1 1 A 33 33 LYS C C 33 179.884 178.732 1.152 1
1 367 . 18 1 1 A 33 33 LYS CB C 33 32.095 32.242 -0.147 1
1 368 . 18 1 1 A 33 33 LYS N N 33 119.050 119.259 -0.209 1
1 369 . 18 1 1 A 34 34 ALA H H 34 8.208 8.151 0.057 1
1 370 . 18 1 1 A 34 34 ALA HA H 34 3.448 3.917 -0.469 1
1 374 . 18 1 1 A 34 34 ALA C C 34 179.325 178.847 0.478 1
1 375 . 18 1 1 A 34 34 ALA CA C 34 55.826 55.084 0.742 1
1 376 . 18 1 1 A 34 34 ALA CB C 34 17.665 17.960 -0.295 1
1 377 . 18 1 1 A 34 34 ALA N N 34 122.909 121.794 1.115 1
1 378 . 18 1 1 A 35 35 GLU H H 35 7.997 8.383 -0.386 1
1 379 . 18 1 1 A 35 35 GLU HA H 35 3.877 4.030 -0.153 1
1 382 . 18 1 1 A 35 35 GLU C C 35 181.002 178.038 2.964 1
1 383 . 18 1 1 A 35 35 GLU CA C 35 59.737 59.199 0.538 1
1 384 . 18 1 1 A 35 35 GLU CB C 35 29.381 28.946 0.435 1
1 385 . 18 1 1 A 35 35 GLU N N 35 119.482 118.416 1.066 1
1 386 . 18 1 1 A 36 36 ASP H H 36 8.405 8.099 0.306 1
1 387 . 18 1 1 A 36 36 ASP HA H 36 4.279 4.416 -0.137 1
1 390 . 18 1 1 A 36 36 ASP C C 36 177.834 178.013 -0.179 1
1 391 . 18 1 1 A 36 36 ASP CA C 36 57.178 56.464 0.714 1
1 392 . 18 1 1 A 36 36 ASP CB C 36 40.502 40.644 -0.142 1
1 393 . 18 1 1 A 36 36 ASP N N 36 120.553 120.543 0.010 1
1 394 . 18 1 1 A 37 37 SER H H 37 7.481 7.559 -0.078 1
1 395 . 18 1 1 A 37 37 SER HA H 37 4.450 4.559 -0.109 1
1 398 . 18 1 1 A 37 37 SER C C 37 174.294 174.775 -0.481 1
1 399 . 18 1 1 A 37 37 SER CA C 37 59.149 58.246 0.903 1
1 400 . 18 1 1 A 37 37 SER CB C 37 64.866 63.774 1.092 1
1 401 . 18 1 1 A 37 37 SER N N 37 112.666 112.712 -0.046 1
1 402 . 18 1 1 A 38 38 GLY H H 38 7.871 8.705 -0.834 1
1 403 . 18 1 1 A 38 38 GLY HA2 H 38 3.895 3.892 0.003 1
1 404 . 18 1 1 A 38 38 GLY HA3 H 38 3.772 3.900 -0.128 1
1 405 . 18 1 1 A 38 38 GLY C C 38 174.108 173.585 0.523 1
1 406 . 18 1 1 A 38 38 GLY CA C 38 46.433 45.876 0.557 1
1 407 . 18 1 1 A 38 38 GLY N N 38 110.893 110.136 0.757 1
1 408 . 18 1 1 A 39 39 LEU H H 39 7.850 7.765 0.085 1
1 409 . 18 1 1 A 39 39 LEU HA H 39 4.782 4.787 -0.005 1
1 419 . 18 1 1 A 39 39 LEU C C 39 177.538 175.825 1.713 1
1 420 . 18 1 1 A 39 39 LEU CA C 39 53.141 52.890 0.251 1
1 421 . 18 1 1 A 39 39 LEU CB C 39 47.097 43.825 3.272 1
1 425 . 18 1 1 A 39 39 LEU N N 39 119.947 121.813 -1.866 1
1 426 . 18 1 1 A 40 40 THR H H 40 7.654 8.494 -0.840 1
1 427 . 18 1 1 A 40 40 THR HA H 40 4.234 4.497 -0.263 1
1 432 . 18 1 1 A 40 40 THR C C 40 175.658 175.635 0.023 1
1 433 . 18 1 1 A 40 40 THR CA C 40 61.188 62.415 -1.227 1
1 434 . 18 1 1 A 40 40 THR CB C 40 70.501 69.242 1.259 1
1 436 . 18 1 1 A 40 40 THR N N 40 109.345 116.941 -7.596 1
1 437 . 18 1 1 A 41 41 VAL H H 41 8.721 8.845 -0.124 1
1 438 . 18 1 1 A 41 41 VAL HA H 41 3.239 3.724 -0.485 1
1 446 . 18 1 1 A 41 41 VAL C C 41 178.021 177.622 0.399 1
1 447 . 18 1 1 A 41 41 VAL CA C 41 68.189 65.278 2.911 1
1 448 . 18 1 1 A 41 41 VAL CB C 41 31.300 31.421 -0.121 1
1 451 . 18 1 1 A 41 41 VAL N N 41 121.470 126.247 -4.777 1
1 452 . 18 1 1 A 42 42 SER H H 42 8.424 7.749 0.675 1
1 453 . 18 1 1 A 42 42 SER HA H 42 3.742 4.047 -0.305 1
1 454 . 18 1 1 A 42 42 SER C C 42 175.785 177.328 -1.543 1
1 455 . 18 1 1 A 42 42 SER CA C 42 62.514 61.611 0.903 1
1 456 . 18 1 1 A 42 42 SER N N 42 113.251 117.118 -3.867 1
1 457 . 18 1 1 A 43 43 ALA H H 43 7.494 8.043 -0.549 1
1 458 . 18 1 1 A 43 43 ALA HA H 43 3.916 4.036 -0.120 1
1 462 . 18 1 1 A 43 43 ALA C C 43 179.884 179.255 0.629 1
1 463 . 18 1 1 A 43 43 ALA CA C 43 55.172 55.163 0.009 1
1 464 . 18 1 1 A 43 43 ALA CB C 43 19.490 18.302 1.188 1
1 465 . 18 1 1 A 43 43 ALA N N 43 123.328 122.598 0.730 1
1 466 . 18 1 1 A 44 44 TYR H H 44 8.662 8.290 0.372 1
1 467 . 18 1 1 A 44 44 TYR HA H 44 3.742 4.271 -0.529 1
1 474 . 18 1 1 A 44 44 TYR C C 44 177.593 177.491 0.102 1
1 475 . 18 1 1 A 44 44 TYR CA C 44 62.514 61.239 1.275 1
1 476 . 18 1 1 A 44 44 TYR CB C 44 39.211 38.477 0.734 1
1 481 . 18 1 1 A 44 44 TYR N N 44 119.611 120.094 -0.483 1
1 482 . 18 1 1 A 45 45 ILE H H 45 8.445 8.922 -0.477 1
1 483 . 18 1 1 A 45 45 ILE HA H 45 3.138 3.684 -0.546 1
1 493 . 18 1 1 A 45 45 ILE C C 45 177.462 177.950 -0.488 1
1 494 . 18 1 1 A 45 45 ILE CA C 45 66.393 64.875 1.518 1
1 495 . 18 1 1 A 45 45 ILE CB C 45 37.810 37.878 -0.068 1
1 499 . 18 1 1 A 45 45 ILE N N 45 118.859 121.274 -2.415 1
1 500 . 18 1 1 A 46 46 ARG H H 46 8.026 8.179 -0.153 1
1 501 . 18 1 1 A 46 46 ARG HA H 46 3.635 4.054 -0.419 1
1 506 . 18 1 1 A 46 46 ARG C C 46 177.462 178.283 -0.821 1
1 507 . 18 1 1 A 46 46 ARG CA C 46 60.816 58.778 2.038 1
1 508 . 18 1 1 A 46 46 ARG CB C 46 30.287 30.229 0.058 1
1 510 . 18 1 1 A 46 46 ARG N N 46 117.983 120.717 -2.734 1
1 511 . 18 1 1 A 47 47 ASN H H 47 8.026 8.311 -0.285 1
1 512 . 18 1 1 A 47 47 ASN HA H 47 4.078 4.386 -0.308 1
1 517 . 18 1 1 A 47 47 ASN C C 47 177.648 177.207 0.441 1
1 518 . 18 1 1 A 47 47 ASN CA C 47 56.329 56.520 -0.191 1
1 519 . 18 1 1 A 47 47 ASN CB C 47 38.112 39.000 -0.888 1
1 520 . 18 1 1 A 47 47 ASN N N 47 115.323 117.963 -2.640 1
1 522 . 18 1 1 A 48 48 ALA H H 48 7.809 8.286 -0.477 1
1 523 . 18 1 1 A 48 48 ALA HA H 48 3.792 3.849 -0.057 1
1 527 . 18 1 1 A 48 48 ALA C C 48 179.325 180.118 -0.793 1
1 528 . 18 1 1 A 48 48 ALA CA C 48 54.393 54.664 -0.271 1
1 529 . 18 1 1 A 48 48 ALA CB C 48 16.905 17.828 -0.923 1
1 530 . 18 1 1 A 48 48 ALA N N 48 121.450 121.215 0.235 1
1 531 . 18 1 1 A 49 49 ALA H H 49 7.863 7.893 -0.030 1
1 532 . 18 1 1 A 49 49 ALA HA H 49 3.821 4.072 -0.251 1
1 536 . 18 1 1 A 49 49 ALA C C 49 178.503 179.085 -0.582 1
1 537 . 18 1 1 A 49 49 ALA CA C 49 54.016 54.661 -0.645 1
1 538 . 18 1 1 A 49 49 ALA CB C 49 19.693 18.382 1.311 1
1 539 . 18 1 1 A 49 49 ALA N N 49 117.188 120.222 -3.034 1
1 540 . 18 1 1 A 50 50 LEU H H 50 7.610 7.412 0.198 1
1 541 . 18 1 1 A 50 50 LEU HA H 50 4.062 4.208 -0.146 1
1 551 . 18 1 1 A 50 50 LEU C C 50 176.716 177.761 -1.045 1
1 552 . 18 1 1 A 50 50 LEU CA C 50 55.766 56.885 -1.119 1
1 553 . 18 1 1 A 50 50 LEU CB C 50 43.320 43.237 0.083 1
1 557 . 18 1 1 A 50 50 LEU N N 50 116.113 117.532 -1.419 1
1 6 . 19 1 1 A 2 2 ASP HA H 2 4.569 4.452 0.117 1
1 9 . 19 1 1 A 2 2 ASP C C 2 176.530 175.849 0.681 1
1 10 . 19 1 1 A 2 2 ASP CA C 2 54.589 55.589 -1.000 1
1 11 . 19 1 1 A 2 2 ASP CB C 2 41.462 40.289 1.173 1
1 12 . 19 1 1 A 3 3 SER H H 3 8.267 7.743 0.524 1
1 13 . 19 1 1 A 3 3 SER HA H 3 4.276 4.801 -0.525 1
1 16 . 19 1 1 A 3 3 SER C C 3 174.667 172.231 2.436 1
1 17 . 19 1 1 A 3 3 SER CA C 3 58.605 56.776 1.829 1
1 18 . 19 1 1 A 3 3 SER CB C 3 63.763 65.395 -1.632 1
1 19 . 19 1 1 A 3 3 SER N N 3 116.529 114.297 2.232 1
1 20 . 19 1 1 A 4 4 ALA H H 4 8.196 8.715 -0.519 1
1 21 . 19 1 1 A 4 4 ALA HA H 4 4.179 4.937 -0.758 1
1 25 . 19 1 1 A 4 4 ALA C C 4 178.021 175.612 2.409 1
1 26 . 19 1 1 A 4 4 ALA CA C 4 52.977 51.629 1.348 1
1 27 . 19 1 1 A 4 4 ALA CB C 4 19.202 23.527 -4.325 1
1 28 . 19 1 1 A 4 4 ALA N N 4 125.751 126.966 -1.215 1
1 29 . 19 1 1 A 5 5 VAL H H 5 7.811 8.653 -0.842 1
1 30 . 19 1 1 A 5 5 VAL HA H 5 3.912 4.791 -0.879 1
1 38 . 19 1 1 A 5 5 VAL C C 5 176.344 174.570 1.774 1
1 39 . 19 1 1 A 5 5 VAL CA C 5 62.506 59.163 3.343 1
1 40 . 19 1 1 A 5 5 VAL CB C 5 32.588 36.021 -3.433 1
1 43 . 19 1 1 A 5 5 VAL N N 5 118.872 113.242 5.630 1
1 44 . 19 1 1 A 6 6 ARG H H 6 8.146 8.190 -0.044 1
1 45 . 19 1 1 A 6 6 ARG HA H 6 4.195 4.553 -0.358 1
1 50 . 19 1 1 A 6 6 ARG C C 6 176.344 176.227 0.117 1
1 51 . 19 1 1 A 6 6 ARG CA C 6 56.173 56.235 -0.062 1
1 52 . 19 1 1 A 6 6 ARG CB C 6 30.859 30.682 0.177 1
1 54 . 19 1 1 A 6 6 ARG N N 6 124.824 122.070 2.754 1
1 55 . 19 1 1 A 7 7 LYS H H 7 8.207 8.757 -0.550 1
1 56 . 19 1 1 A 7 7 LYS C C 7 176.792 175.446 1.346 1
1 57 . 19 1 1 A 7 7 LYS N N 7 123.109 121.131 1.978 1
1 58 . 19 1 1 A 8 8 LYS H H 8 8.258 8.445 -0.187 1
1 59 . 19 1 1 A 8 8 LYS C C 8 176.903 176.619 0.284 1
1 60 . 19 1 1 A 8 8 LYS N N 8 122.855 120.670 2.185 1
1 61 . 19 1 1 A 9 9 SER H H 9 8.197 8.644 -0.447 1
1 62 . 19 1 1 A 9 9 SER HA H 9 4.243 4.490 -0.247 1
1 65 . 19 1 1 A 9 9 SER C C 9 174.667 175.042 -0.375 1
1 66 . 19 1 1 A 9 9 SER CA C 9 58.831 57.240 1.591 1
1 67 . 19 1 1 A 9 9 SER CB C 9 63.763 62.103 1.660 1
1 68 . 19 1 1 A 9 9 SER N N 9 116.772 119.545 -2.773 1
1 69 . 19 1 1 A 10 10 GLU H H 10 8.280 8.229 0.051 1
1 70 . 19 1 1 A 10 10 GLU HA H 10 4.201 4.453 -0.252 1
1 73 . 19 1 1 A 10 10 GLU C C 10 176.530 176.632 -0.102 1
1 74 . 19 1 1 A 10 10 GLU CA C 10 56.610 57.013 -0.403 1
1 75 . 19 1 1 A 10 10 GLU CB C 10 30.511 29.713 0.798 1
1 76 . 19 1 1 A 10 10 GLU N N 10 123.218 126.595 -3.377 1
1 77 . 19 1 1 A 11 11 VAL H H 11 8.032 7.585 0.447 1
1 78 . 19 1 1 A 11 11 VAL HA H 11 3.888 3.755 0.133 1
1 86 . 19 1 1 A 11 11 VAL C C 11 176.344 177.264 -0.920 1
1 87 . 19 1 1 A 11 11 VAL CA C 11 62.778 65.180 -2.402 1
1 88 . 19 1 1 A 11 11 VAL CB C 11 32.229 31.489 0.740 1
1 91 . 19 1 1 A 11 11 VAL N N 11 121.505 120.900 0.605 1
1 92 . 19 1 1 A 12 12 ARG H H 12 8.269 8.664 -0.395 1
1 93 . 19 1 1 A 12 12 ARG HA H 12 4.195 4.144 0.051 1
1 98 . 19 1 1 A 12 12 ARG C C 12 176.344 176.131 0.213 1
1 99 . 19 1 1 A 12 12 ARG CA C 12 56.173 58.391 -2.218 1
1 100 . 19 1 1 A 12 12 ARG CB C 12 30.859 29.876 0.983 1
1 102 . 19 1 1 A 12 12 ARG N N 12 124.717 119.370 5.347 1
1 103 . 19 1 1 A 13 13 GLN H H 13 8.246 7.816 0.430 1
1 104 . 19 1 1 A 13 13 GLN HA H 13 4.208 4.532 -0.324 1
1 111 . 19 1 1 A 13 13 GLN C C 13 175.971 175.374 0.597 1
1 112 . 19 1 1 A 13 13 GLN CA C 13 55.916 54.563 1.353 1
1 113 . 19 1 1 A 13 13 GLN CB C 13 29.864 28.964 0.900 1
1 115 . 19 1 1 A 13 13 GLN N N 13 121.386 118.577 2.809 1
1 117 . 19 1 1 A 14 14 LYS H H 14 8.276 8.517 -0.241 1
1 118 . 19 1 1 A 14 14 LYS HA H 14 4.149 4.111 0.038 1
1 127 . 19 1 1 A 14 14 LYS C C 14 175.971 176.368 -0.397 1
1 128 . 19 1 1 A 14 14 LYS CA C 14 56.518 58.753 -2.235 1
1 129 . 19 1 1 A 14 14 LYS CB C 14 33.073 32.065 1.008 1
1 133 . 19 1 1 A 14 14 LYS N N 14 123.021 123.841 -0.820 1
1 134 . 19 1 1 A 15 15 THR H H 15 7.720 7.598 0.122 1
1 135 . 19 1 1 A 15 15 THR HA H 15 4.225 4.325 -0.100 1
1 140 . 19 1 1 A 15 15 THR C C 15 173.801 174.301 -0.500 1
1 141 . 19 1 1 A 15 15 THR CA C 15 62.211 63.085 -0.874 1
1 142 . 19 1 1 A 15 15 THR CB C 15 70.979 69.861 1.118 1
1 144 . 19 1 1 A 15 15 THR N N 15 114.171 116.026 -1.855 1
1 145 . 19 1 1 A 16 16 VAL H H 16 9.143 8.365 0.778 1
1 146 . 19 1 1 A 16 16 VAL HA H 16 4.004 4.526 -0.522 1
1 154 . 19 1 1 A 16 16 VAL C C 16 174.853 174.850 0.003 1
1 155 . 19 1 1 A 16 16 VAL CA C 16 62.452 61.829 0.623 1
1 156 . 19 1 1 A 16 16 VAL CB C 16 33.361 32.733 0.628 1
1 159 . 19 1 1 A 16 16 VAL N N 16 126.087 125.756 0.331 1
1 160 . 19 1 1 A 17 17 VAL H H 17 8.364 8.663 -0.299 1
1 161 . 19 1 1 A 17 17 VAL HA H 17 4.653 4.661 -0.008 1
1 169 . 19 1 1 A 17 17 VAL C C 17 176.716 173.479 3.237 1
1 170 . 19 1 1 A 17 17 VAL CA C 17 61.419 60.713 0.706 1
1 171 . 19 1 1 A 17 17 VAL CB C 17 33.022 32.793 0.229 1
1 174 . 19 1 1 A 17 17 VAL N N 17 127.119 124.733 2.386 1
1 175 . 19 1 1 A 18 18 ARG H H 18 9.038 9.076 -0.038 1
1 176 . 19 1 1 A 18 18 ARG HA H 18 4.669 5.112 -0.443 1
1 181 . 19 1 1 A 18 18 ARG C C 18 174.480 174.866 -0.386 1
1 182 . 19 1 1 A 18 18 ARG CA C 18 54.148 54.004 0.144 1
1 183 . 19 1 1 A 18 18 ARG CB C 18 33.202 33.780 -0.578 1
1 185 . 19 1 1 A 18 18 ARG N N 18 126.432 130.828 -4.396 1
1 186 . 19 1 1 A 19 19 THR H H 19 8.536 8.545 -0.009 1
1 187 . 19 1 1 A 19 19 THR HA H 19 4.727 5.016 -0.289 1
1 192 . 19 1 1 A 19 19 THR C C 19 173.644 172.985 0.659 1
1 193 . 19 1 1 A 19 19 THR CA C 19 62.000 62.205 -0.205 1
1 194 . 19 1 1 A 19 19 THR CB C 19 69.919 70.268 -0.349 1
1 196 . 19 1 1 A 19 19 THR N N 19 118.670 118.183 0.487 1
1 197 . 19 1 1 A 20 20 LEU H H 20 8.972 9.102 -0.130 1
1 198 . 19 1 1 A 20 20 LEU HA H 20 4.430 4.905 -0.475 1
1 208 . 19 1 1 A 20 20 LEU C C 20 174.294 174.816 -0.522 1
1 209 . 19 1 1 A 20 20 LEU CA C 20 52.892 53.492 -0.600 1
1 210 . 19 1 1 A 20 20 LEU CB C 20 45.825 46.392 -0.567 1
1 214 . 19 1 1 A 20 20 LEU N N 20 128.320 128.603 -0.283 1
1 215 . 19 1 1 A 21 21 ARG H H 21 7.938 8.284 -0.346 1
1 216 . 19 1 1 A 21 21 ARG HA H 21 4.945 4.923 0.022 1
1 223 . 19 1 1 A 21 21 ARG C C 21 175.333 174.526 0.807 1
1 224 . 19 1 1 A 21 21 ARG CA C 21 54.721 53.735 0.986 1
1 225 . 19 1 1 A 21 21 ARG CB C 21 32.512 34.425 -1.913 1
1 228 . 19 1 1 A 21 21 ARG N N 21 119.462 122.435 -2.973 1
1 229 . 19 1 1 A 22 22 PHE H H 22 9.021 8.824 0.197 1
1 230 . 19 1 1 A 22 22 PHE HA H 22 4.777 4.982 -0.205 1
1 238 . 19 1 1 A 22 22 PHE C C 22 175.039 175.200 -0.161 1
1 239 . 19 1 1 A 22 22 PHE CA C 22 56.549 56.862 -0.313 1
1 240 . 19 1 1 A 22 22 PHE CB C 22 43.356 43.037 0.319 1
1 246 . 19 1 1 A 22 22 PHE N N 22 120.286 119.374 0.912 1
1 247 . 19 1 1 A 23 23 SER H H 23 9.411 8.744 0.667 1
1 248 . 19 1 1 A 23 23 SER HA H 23 4.937 4.736 0.201 1
1 249 . 19 1 1 A 23 23 SER C C 23 177.544 174.753 2.791 1
1 250 . 19 1 1 A 23 23 SER CA C 23 56.727 57.554 -0.827 1
1 251 . 19 1 1 A 23 23 SER N N 23 119.420 119.050 0.370 1
1 252 . 19 1 1 A 24 24 PRO HA H 24 4.095 4.299 -0.204 1
1 259 . 19 1 1 A 24 24 PRO C C 24 179.325 178.894 0.431 1
1 260 . 19 1 1 A 24 24 PRO CA C 24 66.570 65.687 0.883 1
1 261 . 19 1 1 A 24 24 PRO CB C 24 31.862 31.831 0.031 1
1 264 . 19 1 1 A 25 25 VAL H H 25 7.563 7.448 0.115 1
1 265 . 19 1 1 A 25 25 VAL HA H 25 3.779 3.762 0.017 1
1 273 . 19 1 1 A 25 25 VAL C C 25 178.846 177.733 1.113 1
1 274 . 19 1 1 A 25 25 VAL CA C 25 65.693 65.494 0.199 1
1 275 . 19 1 1 A 25 25 VAL CB C 25 32.040 31.461 0.579 1
1 278 . 19 1 1 A 25 25 VAL N N 25 116.405 116.046 0.359 1
1 279 . 19 1 1 A 26 26 GLU H H 26 7.512 8.629 -1.117 1
1 280 . 19 1 1 A 26 26 GLU HA H 26 3.838 3.940 -0.102 1
1 285 . 19 1 1 A 26 26 GLU C C 26 178.766 178.758 0.008 1
1 286 . 19 1 1 A 26 26 GLU CA C 26 58.902 60.581 -1.679 1
1 287 . 19 1 1 A 26 26 GLU CB C 26 30.798 29.222 1.576 1
1 289 . 19 1 1 A 26 26 GLU N N 26 122.557 118.930 3.627 1
1 290 . 19 1 1 A 27 27 ASP H H 27 8.669 8.367 0.302 1
1 291 . 19 1 1 A 27 27 ASP HA H 27 3.900 4.186 -0.286 1
1 294 . 19 1 1 A 27 27 ASP C C 27 177.586 178.226 -0.640 1
1 295 . 19 1 1 A 27 27 ASP CA C 27 57.954 57.525 0.429 1
1 296 . 19 1 1 A 27 27 ASP CB C 27 43.617 41.230 2.387 1
1 297 . 19 1 1 A 27 27 ASP N N 27 118.012 119.975 -1.963 1
1 298 . 19 1 1 A 28 28 GLU H H 28 7.875 8.369 -0.494 1
1 299 . 19 1 1 A 28 28 GLU HA H 28 3.738 3.969 -0.231 1
1 302 . 19 1 1 A 28 28 GLU C C 28 178.837 179.234 -0.397 1
1 303 . 19 1 1 A 28 28 GLU CA C 28 59.710 59.412 0.298 1
1 304 . 19 1 1 A 28 28 GLU CB C 28 29.550 29.555 -0.005 1
1 305 . 19 1 1 A 28 28 GLU N N 28 118.040 119.146 -1.106 1
1 306 . 19 1 1 A 29 29 THR H H 29 7.662 8.171 -0.509 1
1 307 . 19 1 1 A 29 29 THR HA H 29 3.739 3.917 -0.178 1
1 312 . 19 1 1 A 29 29 THR C C 29 176.344 176.109 0.235 1
1 313 . 19 1 1 A 29 29 THR CA C 29 66.756 67.199 -0.443 1
1 314 . 19 1 1 A 29 29 THR CB C 29 68.663 68.650 0.013 1
1 316 . 19 1 1 A 29 29 THR N N 29 116.635 116.883 -0.248 1
1 317 . 19 1 1 A 30 30 ILE H H 30 7.875 7.894 -0.019 1
1 318 . 19 1 1 A 30 30 ILE HA H 30 3.159 3.347 -0.188 1
1 328 . 19 1 1 A 30 30 ILE C C 30 176.903 177.941 -1.038 1
1 329 . 19 1 1 A 30 30 ILE CA C 30 65.390 65.063 0.327 1
1 330 . 19 1 1 A 30 30 ILE CB C 30 37.356 37.541 -0.185 1
1 334 . 19 1 1 A 30 30 ILE N N 30 121.804 120.850 0.954 1
1 335 . 19 1 1 A 31 31 ARG H H 31 8.502 8.202 0.300 1
1 336 . 19 1 1 A 31 31 ARG HA H 31 3.508 3.780 -0.272 1
1 343 . 19 1 1 A 31 31 ARG C C 31 179.262 178.754 0.508 1
1 344 . 19 1 1 A 31 31 ARG CA C 31 60.462 59.742 0.720 1
1 345 . 19 1 1 A 31 31 ARG CB C 31 30.075 29.720 0.355 1
1 348 . 19 1 1 A 31 31 ARG N N 31 119.175 119.888 -0.713 1
1 349 . 19 1 1 A 32 32 LYS H H 32 7.497 7.971 -0.474 1
1 350 . 19 1 1 A 32 32 LYS HA H 32 3.884 3.975 -0.091 1
1 357 . 19 1 1 A 32 32 LYS C C 32 178.207 178.725 -0.518 1
1 358 . 19 1 1 A 32 32 LYS CA C 32 59.176 59.717 -0.541 1
1 359 . 19 1 1 A 32 32 LYS CB C 32 32.020 32.122 -0.102 1
1 362 . 19 1 1 A 32 32 LYS N N 32 119.486 118.243 1.243 1
1 363 . 19 1 1 A 33 33 LYS H H 33 7.540 7.973 -0.433 1
1 366 . 19 1 1 A 33 33 LYS C C 33 179.884 178.501 1.383 1
1 367 . 19 1 1 A 33 33 LYS CB C 33 32.095 32.050 0.045 1
1 368 . 19 1 1 A 33 33 LYS N N 33 119.050 118.759 0.291 1
1 369 . 19 1 1 A 34 34 ALA H H 34 8.208 7.934 0.274 1
1 370 . 19 1 1 A 34 34 ALA HA H 34 3.448 3.902 -0.454 1
1 374 . 19 1 1 A 34 34 ALA C C 34 179.325 178.850 0.475 1
1 375 . 19 1 1 A 34 34 ALA CA C 34 55.826 55.066 0.760 1
1 376 . 19 1 1 A 34 34 ALA CB C 34 17.665 18.043 -0.378 1
1 377 . 19 1 1 A 34 34 ALA N N 34 122.909 121.597 1.312 1
1 378 . 19 1 1 A 35 35 GLU H H 35 7.997 8.081 -0.084 1
1 379 . 19 1 1 A 35 35 GLU HA H 35 3.877 4.047 -0.170 1
1 382 . 19 1 1 A 35 35 GLU C C 35 181.002 178.412 2.590 1
1 383 . 19 1 1 A 35 35 GLU CA C 35 59.737 59.235 0.502 1
1 384 . 19 1 1 A 35 35 GLU CB C 35 29.381 29.183 0.198 1
1 385 . 19 1 1 A 35 35 GLU N N 35 119.482 118.419 1.063 1
1 386 . 19 1 1 A 36 36 ASP H H 36 8.405 8.375 0.030 1
1 387 . 19 1 1 A 36 36 ASP HA H 36 4.279 4.427 -0.148 1
1 390 . 19 1 1 A 36 36 ASP C C 36 177.834 177.936 -0.102 1
1 391 . 19 1 1 A 36 36 ASP CA C 36 57.178 56.561 0.617 1
1 392 . 19 1 1 A 36 36 ASP CB C 36 40.502 40.843 -0.341 1
1 393 . 19 1 1 A 36 36 ASP N N 36 120.553 120.258 0.295 1
1 394 . 19 1 1 A 37 37 SER H H 37 7.481 7.601 -0.120 1
1 395 . 19 1 1 A 37 37 SER HA H 37 4.450 4.600 -0.150 1
1 398 . 19 1 1 A 37 37 SER C C 37 174.294 174.832 -0.538 1
1 399 . 19 1 1 A 37 37 SER CA C 37 59.149 58.473 0.676 1
1 400 . 19 1 1 A 37 37 SER CB C 37 64.866 64.321 0.545 1
1 401 . 19 1 1 A 37 37 SER N N 37 112.666 112.607 0.059 1
1 402 . 19 1 1 A 38 38 GLY H H 38 7.871 7.997 -0.126 1
1 403 . 19 1 1 A 38 38 GLY HA2 H 38 3.895 3.955 -0.060 1
1 404 . 19 1 1 A 38 38 GLY HA3 H 38 3.772 3.962 -0.190 1
1 405 . 19 1 1 A 38 38 GLY C C 38 174.108 174.268 -0.160 1
1 406 . 19 1 1 A 38 38 GLY CA C 38 46.433 46.361 0.072 1
1 407 . 19 1 1 A 38 38 GLY N N 38 110.893 110.337 0.556 1
1 408 . 19 1 1 A 39 39 LEU H H 39 7.850 7.797 0.053 1
1 409 . 19 1 1 A 39 39 LEU HA H 39 4.782 4.675 0.107 1
1 419 . 19 1 1 A 39 39 LEU C C 39 177.538 175.678 1.860 1
1 420 . 19 1 1 A 39 39 LEU CA C 39 53.141 53.511 -0.370 1
1 421 . 19 1 1 A 39 39 LEU CB C 39 47.097 44.823 2.274 1
1 425 . 19 1 1 A 39 39 LEU N N 39 119.947 120.456 -0.509 1
1 426 . 19 1 1 A 40 40 THR H H 40 7.654 8.552 -0.898 1
1 427 . 19 1 1 A 40 40 THR HA H 40 4.234 4.411 -0.177 1
1 432 . 19 1 1 A 40 40 THR C C 40 175.658 175.753 -0.095 1
1 433 . 19 1 1 A 40 40 THR CA C 40 61.188 62.563 -1.375 1
1 434 . 19 1 1 A 40 40 THR CB C 40 70.501 69.204 1.297 1
1 436 . 19 1 1 A 40 40 THR N N 40 109.345 118.834 -9.489 1
1 437 . 19 1 1 A 41 41 VAL H H 41 8.721 8.768 -0.047 1
1 438 . 19 1 1 A 41 41 VAL HA H 41 3.239 3.676 -0.437 1
1 446 . 19 1 1 A 41 41 VAL C C 41 178.021 177.476 0.545 1
1 447 . 19 1 1 A 41 41 VAL CA C 41 68.189 66.666 1.523 1
1 448 . 19 1 1 A 41 41 VAL CB C 41 31.300 31.629 -0.329 1
1 451 . 19 1 1 A 41 41 VAL N N 41 121.470 128.174 -6.704 1
1 452 . 19 1 1 A 42 42 SER H H 42 8.424 8.342 0.082 1
1 453 . 19 1 1 A 42 42 SER HA H 42 3.742 4.266 -0.524 1
1 454 . 19 1 1 A 42 42 SER C C 42 175.785 177.187 -1.402 1
1 455 . 19 1 1 A 42 42 SER CA C 42 62.514 61.549 0.965 1
1 456 . 19 1 1 A 42 42 SER N N 42 113.251 114.040 -0.789 1
1 457 . 19 1 1 A 43 43 ALA H H 43 7.494 7.589 -0.095 1
1 458 . 19 1 1 A 43 43 ALA HA H 43 3.916 4.108 -0.192 1
1 462 . 19 1 1 A 43 43 ALA C C 43 179.884 179.065 0.819 1
1 463 . 19 1 1 A 43 43 ALA CA C 43 55.172 54.977 0.195 1
1 464 . 19 1 1 A 43 43 ALA CB C 43 19.490 18.433 1.057 1
1 465 . 19 1 1 A 43 43 ALA N N 43 123.328 124.486 -1.158 1
1 466 . 19 1 1 A 44 44 TYR H H 44 8.662 8.699 -0.037 1
1 467 . 19 1 1 A 44 44 TYR HA H 44 3.742 4.086 -0.344 1
1 474 . 19 1 1 A 44 44 TYR C C 44 177.593 177.421 0.172 1
1 475 . 19 1 1 A 44 44 TYR CA C 44 62.514 61.692 0.822 1
1 476 . 19 1 1 A 44 44 TYR CB C 44 39.211 38.762 0.449 1
1 481 . 19 1 1 A 44 44 TYR N N 44 119.611 119.686 -0.075 1
1 482 . 19 1 1 A 45 45 ILE H H 45 8.445 8.728 -0.283 1
1 483 . 19 1 1 A 45 45 ILE HA H 45 3.138 3.683 -0.545 1
1 493 . 19 1 1 A 45 45 ILE C C 45 177.462 177.915 -0.453 1
1 494 . 19 1 1 A 45 45 ILE CA C 45 66.393 64.857 1.536 1
1 495 . 19 1 1 A 45 45 ILE CB C 45 37.810 37.883 -0.073 1
1 499 . 19 1 1 A 45 45 ILE N N 45 118.859 121.091 -2.232 1
1 500 . 19 1 1 A 46 46 ARG H H 46 8.026 7.926 0.100 1
1 501 . 19 1 1 A 46 46 ARG HA H 46 3.635 4.020 -0.385 1
1 506 . 19 1 1 A 46 46 ARG C C 46 177.462 178.159 -0.697 1
1 507 . 19 1 1 A 46 46 ARG CA C 46 60.816 58.765 2.051 1
1 508 . 19 1 1 A 46 46 ARG CB C 46 30.287 30.268 0.019 1
1 510 . 19 1 1 A 46 46 ARG N N 46 117.983 120.888 -2.905 1
1 511 . 19 1 1 A 47 47 ASN H H 47 8.026 8.619 -0.593 1
1 512 . 19 1 1 A 47 47 ASN HA H 47 4.078 4.353 -0.275 1
1 517 . 19 1 1 A 47 47 ASN C C 47 177.648 177.246 0.402 1
1 518 . 19 1 1 A 47 47 ASN CA C 47 56.329 56.618 -0.289 1
1 519 . 19 1 1 A 47 47 ASN CB C 47 38.112 39.417 -1.305 1
1 520 . 19 1 1 A 47 47 ASN N N 47 115.323 117.950 -2.627 1
1 522 . 19 1 1 A 48 48 ALA H H 48 7.809 8.151 -0.342 1
1 523 . 19 1 1 A 48 48 ALA HA H 48 3.792 3.882 -0.090 1
1 527 . 19 1 1 A 48 48 ALA C C 48 179.325 179.979 -0.654 1
1 528 . 19 1 1 A 48 48 ALA CA C 48 54.393 54.432 -0.039 1
1 529 . 19 1 1 A 48 48 ALA CB C 48 16.905 17.810 -0.905 1
1 530 . 19 1 1 A 48 48 ALA N N 48 121.450 121.275 0.175 1
1 531 . 19 1 1 A 49 49 ALA H H 49 7.863 7.577 0.286 1
1 532 . 19 1 1 A 49 49 ALA HA H 49 3.821 4.034 -0.213 1
1 536 . 19 1 1 A 49 49 ALA C C 49 178.503 178.408 0.095 1
1 537 . 19 1 1 A 49 49 ALA CA C 49 54.016 54.199 -0.183 1
1 538 . 19 1 1 A 49 49 ALA CB C 49 19.693 18.390 1.303 1
1 539 . 19 1 1 A 49 49 ALA N N 49 117.188 119.578 -2.390 1
1 540 . 19 1 1 A 50 50 LEU H H 50 7.610 7.283 0.327 1
1 541 . 19 1 1 A 50 50 LEU HA H 50 4.062 4.376 -0.314 1
1 551 . 19 1 1 A 50 50 LEU C C 50 176.716 177.140 -0.424 1
1 552 . 19 1 1 A 50 50 LEU CA C 50 55.766 55.462 0.304 1
1 553 . 19 1 1 A 50 50 LEU CB C 50 43.320 43.242 0.078 1
1 557 . 19 1 1 A 50 50 LEU N N 50 116.113 114.581 1.532 1
1 6 . 20 1 1 A 2 2 ASP HA H 2 4.569 4.778 -0.209 1
1 9 . 20 1 1 A 2 2 ASP C C 2 176.530 175.554 0.976 1
1 10 . 20 1 1 A 2 2 ASP CA C 2 54.589 54.419 0.170 1
1 11 . 20 1 1 A 2 2 ASP CB C 2 41.462 42.031 -0.569 1
1 12 . 20 1 1 A 3 3 SER H H 3 8.267 8.642 -0.375 1
1 13 . 20 1 1 A 3 3 SER HA H 3 4.276 5.032 -0.756 1
1 16 . 20 1 1 A 3 3 SER C C 3 174.667 173.078 1.589 1
1 17 . 20 1 1 A 3 3 SER CA C 3 58.605 56.263 2.342 1
1 18 . 20 1 1 A 3 3 SER CB C 3 63.763 66.273 -2.510 1
1 19 . 20 1 1 A 3 3 SER N N 3 116.529 112.229 4.300 1
1 20 . 20 1 1 A 4 4 ALA H H 4 8.196 8.687 -0.491 1
1 21 . 20 1 1 A 4 4 ALA HA H 4 4.179 4.363 -0.184 1
1 25 . 20 1 1 A 4 4 ALA C C 4 178.021 177.542 0.479 1
1 26 . 20 1 1 A 4 4 ALA CA C 4 52.977 52.043 0.934 1
1 27 . 20 1 1 A 4 4 ALA CB C 4 19.202 18.306 0.896 1
1 28 . 20 1 1 A 4 4 ALA N N 4 125.751 124.552 1.199 1
1 29 . 20 1 1 A 5 5 VAL H H 5 7.811 8.826 -1.015 1
1 30 . 20 1 1 A 5 5 VAL HA H 5 3.912 4.317 -0.405 1
1 38 . 20 1 1 A 5 5 VAL C C 5 176.344 175.910 0.434 1
1 39 . 20 1 1 A 5 5 VAL CA C 5 62.506 62.975 -0.469 1
1 40 . 20 1 1 A 5 5 VAL CB C 5 32.588 34.853 -2.265 1
1 43 . 20 1 1 A 5 5 VAL N N 5 118.872 125.492 -6.620 1
1 44 . 20 1 1 A 6 6 ARG H H 6 8.146 7.800 0.346 1
1 45 . 20 1 1 A 6 6 ARG HA H 6 4.195 4.631 -0.436 1
1 50 . 20 1 1 A 6 6 ARG C C 6 176.344 175.413 0.931 1
1 51 . 20 1 1 A 6 6 ARG CA C 6 56.173 55.331 0.842 1
1 52 . 20 1 1 A 6 6 ARG CB C 6 30.859 31.889 -1.030 1
1 54 . 20 1 1 A 6 6 ARG N N 6 124.824 120.955 3.869 1
1 55 . 20 1 1 A 7 7 LYS H H 7 8.207 8.845 -0.638 1
1 56 . 20 1 1 A 7 7 LYS C C 7 176.792 176.198 0.594 1
1 57 . 20 1 1 A 7 7 LYS N N 7 123.109 120.392 2.717 1
1 58 . 20 1 1 A 8 8 LYS H H 8 8.258 7.973 0.285 1
1 59 . 20 1 1 A 8 8 LYS C C 8 176.903 175.265 1.638 1
1 60 . 20 1 1 A 8 8 LYS N N 8 122.855 114.959 7.896 1
1 61 . 20 1 1 A 9 9 SER H H 9 8.197 8.946 -0.749 1
1 62 . 20 1 1 A 9 9 SER HA H 9 4.243 5.037 -0.794 1
1 65 . 20 1 1 A 9 9 SER C C 9 174.667 173.070 1.597 1
1 66 . 20 1 1 A 9 9 SER CA C 9 58.831 57.528 1.303 1
1 67 . 20 1 1 A 9 9 SER CB C 9 63.763 65.910 -2.147 1
1 68 . 20 1 1 A 9 9 SER N N 9 116.772 119.575 -2.803 1
1 69 . 20 1 1 A 10 10 GLU H H 10 8.280 8.673 -0.393 1
1 70 . 20 1 1 A 10 10 GLU HA H 10 4.201 4.547 -0.346 1
1 73 . 20 1 1 A 10 10 GLU C C 10 176.530 174.653 1.877 1
1 74 . 20 1 1 A 10 10 GLU CA C 10 56.610 55.978 0.632 1
1 75 . 20 1 1 A 10 10 GLU CB C 10 30.511 28.680 1.831 1
1 76 . 20 1 1 A 10 10 GLU N N 10 123.218 125.045 -1.827 1
1 77 . 20 1 1 A 11 11 VAL H H 11 8.032 7.920 0.112 1
1 78 . 20 1 1 A 11 11 VAL HA H 11 3.888 4.703 -0.815 1
1 86 . 20 1 1 A 11 11 VAL C C 11 176.344 174.459 1.885 1
1 87 . 20 1 1 A 11 11 VAL CA C 11 62.778 60.925 1.853 1
1 88 . 20 1 1 A 11 11 VAL CB C 11 32.229 35.362 -3.133 1
1 91 . 20 1 1 A 11 11 VAL N N 11 121.505 124.788 -3.283 1
1 92 . 20 1 1 A 12 12 ARG H H 12 8.269 8.986 -0.717 1
1 93 . 20 1 1 A 12 12 ARG HA H 12 4.195 5.046 -0.851 1
1 98 . 20 1 1 A 12 12 ARG C C 12 176.344 175.024 1.320 1
1 99 . 20 1 1 A 12 12 ARG CA C 12 56.173 55.157 1.016 1
1 100 . 20 1 1 A 12 12 ARG CB C 12 30.859 30.987 -0.128 1
1 102 . 20 1 1 A 12 12 ARG N N 12 124.717 125.618 -0.901 1
1 103 . 20 1 1 A 13 13 GLN H H 13 8.246 8.844 -0.598 1
1 104 . 20 1 1 A 13 13 GLN HA H 13 4.208 5.073 -0.865 1
1 111 . 20 1 1 A 13 13 GLN C C 13 175.971 175.497 0.474 1
1 112 . 20 1 1 A 13 13 GLN CA C 13 55.916 54.253 1.663 1
1 113 . 20 1 1 A 13 13 GLN CB C 13 29.864 30.215 -0.351 1
1 115 . 20 1 1 A 13 13 GLN N N 13 121.386 121.658 -0.272 1
1 117 . 20 1 1 A 14 14 LYS H H 14 8.276 8.756 -0.480 1
1 118 . 20 1 1 A 14 14 LYS HA H 14 4.149 4.434 -0.285 1
1 127 . 20 1 1 A 14 14 LYS C C 14 175.971 175.545 0.426 1
1 128 . 20 1 1 A 14 14 LYS CA C 14 56.518 56.347 0.171 1
1 129 . 20 1 1 A 14 14 LYS CB C 14 33.073 32.187 0.886 1
1 133 . 20 1 1 A 14 14 LYS N N 14 123.021 120.686 2.335 1
1 134 . 20 1 1 A 15 15 THR H H 15 7.720 7.595 0.125 1
1 135 . 20 1 1 A 15 15 THR HA H 15 4.225 4.628 -0.403 1
1 140 . 20 1 1 A 15 15 THR C C 15 173.801 172.056 1.745 1
1 141 . 20 1 1 A 15 15 THR CA C 15 62.211 60.828 1.383 1
1 142 . 20 1 1 A 15 15 THR CB C 15 70.979 70.221 0.758 1
1 144 . 20 1 1 A 15 15 THR N N 15 114.171 111.714 2.457 1
1 145 . 20 1 1 A 16 16 VAL H H 16 9.143 8.685 0.458 1
1 146 . 20 1 1 A 16 16 VAL HA H 16 4.004 4.722 -0.718 1
1 154 . 20 1 1 A 16 16 VAL C C 16 174.853 174.924 -0.071 1
1 155 . 20 1 1 A 16 16 VAL CA C 16 62.452 61.466 0.986 1
1 156 . 20 1 1 A 16 16 VAL CB C 16 33.361 33.498 -0.137 1
1 159 . 20 1 1 A 16 16 VAL N N 16 126.087 125.052 1.035 1
1 160 . 20 1 1 A 17 17 VAL H H 17 8.364 8.519 -0.155 1
1 161 . 20 1 1 A 17 17 VAL HA H 17 4.653 4.758 -0.105 1
1 169 . 20 1 1 A 17 17 VAL C C 17 176.716 174.155 2.561 1
1 170 . 20 1 1 A 17 17 VAL CA C 17 61.419 60.664 0.755 1
1 171 . 20 1 1 A 17 17 VAL CB C 17 33.022 33.797 -0.775 1
1 174 . 20 1 1 A 17 17 VAL N N 17 127.119 123.485 3.634 1
1 175 . 20 1 1 A 18 18 ARG H H 18 9.038 8.847 0.191 1
1 176 . 20 1 1 A 18 18 ARG HA H 18 4.669 4.827 -0.158 1
1 181 . 20 1 1 A 18 18 ARG C C 18 174.480 174.311 0.169 1
1 182 . 20 1 1 A 18 18 ARG CA C 18 54.148 54.838 -0.690 1
1 183 . 20 1 1 A 18 18 ARG CB C 18 33.202 33.858 -0.656 1
1 185 . 20 1 1 A 18 18 ARG N N 18 126.432 129.865 -3.433 1
1 186 . 20 1 1 A 19 19 THR H H 19 8.536 8.697 -0.161 1
1 187 . 20 1 1 A 19 19 THR HA H 19 4.727 5.174 -0.447 1
1 192 . 20 1 1 A 19 19 THR C C 19 173.644 173.374 0.270 1
1 193 . 20 1 1 A 19 19 THR CA C 19 62.000 61.250 0.750 1
1 194 . 20 1 1 A 19 19 THR CB C 19 69.919 70.890 -0.971 1
1 196 . 20 1 1 A 19 19 THR N N 19 118.670 114.632 4.038 1
1 197 . 20 1 1 A 20 20 LEU H H 20 8.972 8.984 -0.012 1
1 198 . 20 1 1 A 20 20 LEU HA H 20 4.430 4.980 -0.550 1
1 208 . 20 1 1 A 20 20 LEU C C 20 174.294 175.510 -1.216 1
1 209 . 20 1 1 A 20 20 LEU CA C 20 52.892 53.429 -0.537 1
1 210 . 20 1 1 A 20 20 LEU CB C 20 45.825 45.885 -0.060 1
1 214 . 20 1 1 A 20 20 LEU N N 20 128.320 126.409 1.911 1
1 215 . 20 1 1 A 21 21 ARG H H 21 7.938 8.098 -0.160 1
1 216 . 20 1 1 A 21 21 ARG HA H 21 4.945 5.164 -0.219 1
1 223 . 20 1 1 A 21 21 ARG C C 21 175.333 174.326 1.007 1
1 224 . 20 1 1 A 21 21 ARG CA C 21 54.721 53.910 0.811 1
1 225 . 20 1 1 A 21 21 ARG CB C 21 32.512 33.908 -1.396 1
1 228 . 20 1 1 A 21 21 ARG N N 21 119.462 119.384 0.078 1
1 229 . 20 1 1 A 22 22 PHE H H 22 9.021 9.000 0.021 1
1 230 . 20 1 1 A 22 22 PHE HA H 22 4.777 4.950 -0.173 1
1 238 . 20 1 1 A 22 22 PHE C C 22 175.039 175.033 0.006 1
1 239 . 20 1 1 A 22 22 PHE CA C 22 56.549 57.053 -0.504 1
1 240 . 20 1 1 A 22 22 PHE CB C 22 43.356 42.931 0.425 1
1 246 . 20 1 1 A 22 22 PHE N N 22 120.286 119.613 0.673 1
1 247 . 20 1 1 A 23 23 SER H H 23 9.411 8.898 0.513 1
1 248 . 20 1 1 A 23 23 SER HA H 23 4.937 4.710 0.227 1
1 249 . 20 1 1 A 23 23 SER C C 23 177.544 174.726 2.818 1
1 250 . 20 1 1 A 23 23 SER CA C 23 56.727 57.547 -0.820 1
1 251 . 20 1 1 A 23 23 SER N N 23 119.420 120.698 -1.278 1
1 252 . 20 1 1 A 24 24 PRO HA H 24 4.095 4.403 -0.308 1
1 259 . 20 1 1 A 24 24 PRO C C 24 179.325 178.568 0.757 1
1 260 . 20 1 1 A 24 24 PRO CA C 24 66.570 65.223 1.347 1
1 261 . 20 1 1 A 24 24 PRO CB C 24 31.862 31.849 0.013 1
1 264 . 20 1 1 A 25 25 VAL H H 25 7.563 7.309 0.254 1
1 265 . 20 1 1 A 25 25 VAL HA H 25 3.779 3.799 -0.020 1
1 273 . 20 1 1 A 25 25 VAL C C 25 178.846 177.982 0.864 1
1 274 . 20 1 1 A 25 25 VAL CA C 25 65.693 65.307 0.386 1
1 275 . 20 1 1 A 25 25 VAL CB C 25 32.040 31.544 0.496 1
1 278 . 20 1 1 A 25 25 VAL N N 25 116.405 116.487 -0.082 1
1 279 . 20 1 1 A 26 26 GLU H H 26 7.512 8.275 -0.763 1
1 280 . 20 1 1 A 26 26 GLU HA H 26 3.838 4.026 -0.188 1
1 285 . 20 1 1 A 26 26 GLU C C 26 178.766 179.220 -0.454 1
1 286 . 20 1 1 A 26 26 GLU CA C 26 58.902 59.769 -0.867 1
1 287 . 20 1 1 A 26 26 GLU CB C 26 30.798 29.498 1.300 1
1 289 . 20 1 1 A 26 26 GLU N N 26 122.557 119.425 3.132 1
1 290 . 20 1 1 A 27 27 ASP H H 27 8.669 8.383 0.286 1
1 291 . 20 1 1 A 27 27 ASP HA H 27 3.900 4.197 -0.297 1
1 294 . 20 1 1 A 27 27 ASP C C 27 177.586 178.204 -0.618 1
1 295 . 20 1 1 A 27 27 ASP CA C 27 57.954 57.431 0.523 1
1 296 . 20 1 1 A 27 27 ASP CB C 27 43.617 41.403 2.214 1
1 297 . 20 1 1 A 27 27 ASP N N 27 118.012 119.900 -1.888 1
1 298 . 20 1 1 A 28 28 GLU H H 28 7.875 8.323 -0.448 1
1 299 . 20 1 1 A 28 28 GLU HA H 28 3.738 4.004 -0.266 1
1 302 . 20 1 1 A 28 28 GLU C C 28 178.837 179.320 -0.483 1
1 303 . 20 1 1 A 28 28 GLU CA C 28 59.710 59.422 0.288 1
1 304 . 20 1 1 A 28 28 GLU CB C 28 29.550 29.642 -0.092 1
1 305 . 20 1 1 A 28 28 GLU N N 28 118.040 118.986 -0.946 1
1 306 . 20 1 1 A 29 29 THR H H 29 7.662 8.200 -0.538 1
1 307 . 20 1 1 A 29 29 THR HA H 29 3.739 4.011 -0.272 1
1 312 . 20 1 1 A 29 29 THR C C 29 176.344 176.311 0.033 1
1 313 . 20 1 1 A 29 29 THR CA C 29 66.756 67.216 -0.460 1
1 314 . 20 1 1 A 29 29 THR CB C 29 68.663 68.439 0.224 1
1 316 . 20 1 1 A 29 29 THR N N 29 116.635 116.294 0.341 1
1 317 . 20 1 1 A 30 30 ILE H H 30 7.875 8.458 -0.583 1
1 318 . 20 1 1 A 30 30 ILE HA H 30 3.159 3.433 -0.274 1
1 328 . 20 1 1 A 30 30 ILE C C 30 176.903 178.346 -1.443 1
1 329 . 20 1 1 A 30 30 ILE CA C 30 65.390 64.865 0.525 1
1 330 . 20 1 1 A 30 30 ILE CB C 30 37.356 37.409 -0.053 1
1 334 . 20 1 1 A 30 30 ILE N N 30 121.804 120.716 1.088 1
1 335 . 20 1 1 A 31 31 ARG H H 31 8.502 7.992 0.510 1
1 336 . 20 1 1 A 31 31 ARG HA H 31 3.508 3.798 -0.290 1
1 343 . 20 1 1 A 31 31 ARG C C 31 179.262 178.698 0.564 1
1 344 . 20 1 1 A 31 31 ARG CA C 31 60.462 59.068 1.394 1
1 345 . 20 1 1 A 31 31 ARG CB C 31 30.075 29.789 0.286 1
1 348 . 20 1 1 A 31 31 ARG N N 31 119.175 121.972 -2.797 1
1 349 . 20 1 1 A 32 32 LYS H H 32 7.497 8.265 -0.768 1
1 350 . 20 1 1 A 32 32 LYS HA H 32 3.884 3.970 -0.086 1
1 357 . 20 1 1 A 32 32 LYS C C 32 178.207 178.686 -0.479 1
1 358 . 20 1 1 A 32 32 LYS CA C 32 59.176 59.099 0.077 1
1 359 . 20 1 1 A 32 32 LYS CB C 32 32.020 31.812 0.208 1
1 362 . 20 1 1 A 32 32 LYS N N 32 119.486 118.051 1.435 1
1 363 . 20 1 1 A 33 33 LYS H H 33 7.540 8.018 -0.478 1
1 366 . 20 1 1 A 33 33 LYS C C 33 179.884 178.941 0.943 1
1 367 . 20 1 1 A 33 33 LYS CB C 33 32.095 32.196 -0.101 1
1 368 . 20 1 1 A 33 33 LYS N N 33 119.050 119.034 0.016 1
1 369 . 20 1 1 A 34 34 ALA H H 34 8.208 7.902 0.306 1
1 370 . 20 1 1 A 34 34 ALA HA H 34 3.448 3.889 -0.441 1
1 374 . 20 1 1 A 34 34 ALA C C 34 179.325 178.905 0.420 1
1 375 . 20 1 1 A 34 34 ALA CA C 34 55.826 55.005 0.821 1
1 376 . 20 1 1 A 34 34 ALA CB C 34 17.665 18.030 -0.365 1
1 377 . 20 1 1 A 34 34 ALA N N 34 122.909 121.796 1.113 1
1 378 . 20 1 1 A 35 35 GLU H H 35 7.997 8.527 -0.530 1
1 379 . 20 1 1 A 35 35 GLU HA H 35 3.877 4.039 -0.162 1
1 382 . 20 1 1 A 35 35 GLU C C 35 181.002 178.239 2.763 1
1 383 . 20 1 1 A 35 35 GLU CA C 35 59.737 59.157 0.580 1
1 384 . 20 1 1 A 35 35 GLU CB C 35 29.381 29.323 0.058 1
1 385 . 20 1 1 A 35 35 GLU N N 35 119.482 118.351 1.131 1
1 386 . 20 1 1 A 36 36 ASP H H 36 8.405 8.011 0.394 1
1 387 . 20 1 1 A 36 36 ASP HA H 36 4.279 4.434 -0.155 1
1 390 . 20 1 1 A 36 36 ASP C C 36 177.834 177.832 0.002 1
1 391 . 20 1 1 A 36 36 ASP CA C 36 57.178 56.546 0.632 1
1 392 . 20 1 1 A 36 36 ASP CB C 36 40.502 41.026 -0.524 1
1 393 . 20 1 1 A 36 36 ASP N N 36 120.553 120.418 0.135 1
1 394 . 20 1 1 A 37 37 SER H H 37 7.481 7.655 -0.174 1
1 395 . 20 1 1 A 37 37 SER HA H 37 4.450 4.574 -0.124 1
1 398 . 20 1 1 A 37 37 SER C C 37 174.294 174.715 -0.421 1
1 399 . 20 1 1 A 37 37 SER CA C 37 59.149 58.299 0.850 1
1 400 . 20 1 1 A 37 37 SER CB C 37 64.866 63.834 1.032 1
1 401 . 20 1 1 A 37 37 SER N N 37 112.666 112.854 -0.188 1
1 402 . 20 1 1 A 38 38 GLY H H 38 7.871 8.325 -0.454 1
1 403 . 20 1 1 A 38 38 GLY HA2 H 38 3.895 3.959 -0.064 1
1 404 . 20 1 1 A 38 38 GLY HA3 H 38 3.772 3.967 -0.195 1
1 405 . 20 1 1 A 38 38 GLY C C 38 174.108 174.008 0.100 1
1 406 . 20 1 1 A 38 38 GLY CA C 38 46.433 46.432 0.001 1
1 407 . 20 1 1 A 38 38 GLY N N 38 110.893 110.387 0.506 1
1 408 . 20 1 1 A 39 39 LEU H H 39 7.850 7.913 -0.063 1
1 409 . 20 1 1 A 39 39 LEU HA H 39 4.782 4.864 -0.082 1
1 419 . 20 1 1 A 39 39 LEU C C 39 177.538 175.602 1.936 1
1 420 . 20 1 1 A 39 39 LEU CA C 39 53.141 52.789 0.352 1
1 421 . 20 1 1 A 39 39 LEU CB C 39 47.097 44.872 2.225 1
1 425 . 20 1 1 A 39 39 LEU N N 39 119.947 119.862 0.085 1
1 426 . 20 1 1 A 40 40 THR H H 40 7.654 8.498 -0.844 1
1 427 . 20 1 1 A 40 40 THR HA H 40 4.234 4.541 -0.307 1
1 432 . 20 1 1 A 40 40 THR C C 40 175.658 175.854 -0.196 1
1 433 . 20 1 1 A 40 40 THR CA C 40 61.188 62.192 -1.004 1
1 434 . 20 1 1 A 40 40 THR CB C 40 70.501 69.295 1.206 1
1 436 . 20 1 1 A 40 40 THR N N 40 109.345 117.177 -7.832 1
1 437 . 20 1 1 A 41 41 VAL H H 41 8.721 8.733 -0.012 1
1 438 . 20 1 1 A 41 41 VAL HA H 41 3.239 3.660 -0.421 1
1 446 . 20 1 1 A 41 41 VAL C C 41 178.021 177.473 0.548 1
1 447 . 20 1 1 A 41 41 VAL CA C 41 68.189 66.561 1.628 1
1 448 . 20 1 1 A 41 41 VAL CB C 41 31.300 31.539 -0.239 1
1 451 . 20 1 1 A 41 41 VAL N N 41 121.470 128.121 -6.651 1
1 452 . 20 1 1 A 42 42 SER H H 42 8.424 7.851 0.573 1
1 453 . 20 1 1 A 42 42 SER HA H 42 3.742 4.186 -0.444 1
1 454 . 20 1 1 A 42 42 SER C C 42 175.785 177.292 -1.507 1
1 455 . 20 1 1 A 42 42 SER CA C 42 62.514 61.279 1.235 1
1 456 . 20 1 1 A 42 42 SER N N 42 113.251 114.278 -1.027 1
1 457 . 20 1 1 A 43 43 ALA H H 43 7.494 7.394 0.100 1
1 458 . 20 1 1 A 43 43 ALA HA H 43 3.916 4.103 -0.187 1
1 462 . 20 1 1 A 43 43 ALA C C 43 179.884 179.117 0.767 1
1 463 . 20 1 1 A 43 43 ALA CA C 43 55.172 54.925 0.247 1
1 464 . 20 1 1 A 43 43 ALA CB C 43 19.490 18.389 1.101 1
1 465 . 20 1 1 A 43 43 ALA N N 43 123.328 123.493 -0.165 1
1 466 . 20 1 1 A 44 44 TYR H H 44 8.662 8.773 -0.111 1
1 467 . 20 1 1 A 44 44 TYR HA H 44 3.742 4.103 -0.361 1
1 474 . 20 1 1 A 44 44 TYR C C 44 177.593 177.431 0.162 1
1 475 . 20 1 1 A 44 44 TYR CA C 44 62.514 61.641 0.873 1
1 476 . 20 1 1 A 44 44 TYR CB C 44 39.211 38.462 0.749 1
1 481 . 20 1 1 A 44 44 TYR N N 44 119.611 119.765 -0.154 1
1 482 . 20 1 1 A 45 45 ILE H H 45 8.445 8.855 -0.410 1
1 483 . 20 1 1 A 45 45 ILE HA H 45 3.138 3.689 -0.551 1
1 493 . 20 1 1 A 45 45 ILE C C 45 177.462 178.075 -0.613 1
1 494 . 20 1 1 A 45 45 ILE CA C 45 66.393 64.911 1.482 1
1 495 . 20 1 1 A 45 45 ILE CB C 45 37.810 37.909 -0.099 1
1 499 . 20 1 1 A 45 45 ILE N N 45 118.859 121.099 -2.240 1
1 500 . 20 1 1 A 46 46 ARG H H 46 8.026 7.899 0.127 1
1 501 . 20 1 1 A 46 46 ARG HA H 46 3.635 4.027 -0.392 1
1 506 . 20 1 1 A 46 46 ARG C C 46 177.462 178.320 -0.858 1
1 507 . 20 1 1 A 46 46 ARG CA C 46 60.816 58.862 1.954 1
1 508 . 20 1 1 A 46 46 ARG CB C 46 30.287 30.046 0.241 1
1 510 . 20 1 1 A 46 46 ARG N N 46 117.983 120.640 -2.657 1
1 511 . 20 1 1 A 47 47 ASN H H 47 8.026 8.642 -0.616 1
1 512 . 20 1 1 A 47 47 ASN HA H 47 4.078 4.338 -0.260 1
1 517 . 20 1 1 A 47 47 ASN C C 47 177.648 177.364 0.284 1
1 518 . 20 1 1 A 47 47 ASN CA C 47 56.329 56.821 -0.492 1
1 519 . 20 1 1 A 47 47 ASN CB C 47 38.112 39.323 -1.211 1
1 520 . 20 1 1 A 47 47 ASN N N 47 115.323 118.027 -2.704 1
1 522 . 20 1 1 A 48 48 ALA H H 48 7.809 8.082 -0.273 1
1 523 . 20 1 1 A 48 48 ALA HA H 48 3.792 3.895 -0.103 1
1 527 . 20 1 1 A 48 48 ALA C C 48 179.325 179.891 -0.566 1
1 528 . 20 1 1 A 48 48 ALA CA C 48 54.393 54.643 -0.250 1
1 529 . 20 1 1 A 48 48 ALA CB C 48 16.905 17.945 -1.040 1
1 530 . 20 1 1 A 48 48 ALA N N 48 121.450 121.423 0.027 1
1 531 . 20 1 1 A 49 49 ALA H H 49 7.863 7.618 0.245 1
1 532 . 20 1 1 A 49 49 ALA HA H 49 3.821 4.078 -0.257 1
1 536 . 20 1 1 A 49 49 ALA C C 49 178.503 178.423 0.080 1
1 537 . 20 1 1 A 49 49 ALA CA C 49 54.016 54.097 -0.081 1
1 538 . 20 1 1 A 49 49 ALA CB C 49 19.693 18.489 1.204 1
1 539 . 20 1 1 A 49 49 ALA N N 49 117.188 119.877 -2.689 1
1 540 . 20 1 1 A 50 50 LEU H H 50 7.610 7.333 0.277 1
1 541 . 20 1 1 A 50 50 LEU HA H 50 4.062 4.284 -0.222 1
1 551 . 20 1 1 A 50 50 LEU C C 50 176.716 177.590 -0.874 1
1 552 . 20 1 1 A 50 50 LEU CA C 50 55.766 55.743 0.023 1
1 553 . 20 1 1 A 50 50 LEU CB C 50 43.320 43.294 0.026 1
1 557 . 20 1 1 A 50 50 LEU N N 50 116.113 115.037 1.076 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 49 1.165 1
2 1 1 1 "RMS(OBS, PRED)" CA 46 1.103 1
3 1 1 1 "RMS(OBS, PRED)" CB 44 1.333 1
4 1 1 1 "RMS(OBS, PRED)" H 47 0.392 1
5 1 1 1 "RMS(OBS, PRED)" HA 47 0.321 1
6 1 1 1 "RMS(OBS, PRED)" N 47 3.039 1
7 1 2 1 "RMS(OBS, PRED)" C 49 1.199 1
8 1 2 1 "RMS(OBS, PRED)" CA 46 1.197 1
9 1 2 1 "RMS(OBS, PRED)" CB 44 1.339 1
10 1 2 1 "RMS(OBS, PRED)" H 47 0.448 1
11 1 2 1 "RMS(OBS, PRED)" HA 47 0.345 1
12 1 2 1 "RMS(OBS, PRED)" N 47 2.625 1
13 1 3 1 "RMS(OBS, PRED)" C 49 1.091 1
14 1 3 1 "RMS(OBS, PRED)" CA 46 1.131 1
15 1 3 1 "RMS(OBS, PRED)" CB 44 1.077 1
16 1 3 1 "RMS(OBS, PRED)" H 47 0.448 1
17 1 3 1 "RMS(OBS, PRED)" HA 47 0.296 1
18 1 3 1 "RMS(OBS, PRED)" N 47 2.928 1
19 1 4 1 "RMS(OBS, PRED)" C 49 1.085 1
20 1 4 1 "RMS(OBS, PRED)" CA 46 1.223 1
21 1 4 1 "RMS(OBS, PRED)" CB 44 1.331 1
22 1 4 1 "RMS(OBS, PRED)" H 47 0.413 1
23 1 4 1 "RMS(OBS, PRED)" HA 47 0.313 1
24 1 4 1 "RMS(OBS, PRED)" N 47 2.964 1
25 1 5 1 "RMS(OBS, PRED)" C 49 1.156 1
26 1 5 1 "RMS(OBS, PRED)" CA 46 1.276 1
27 1 5 1 "RMS(OBS, PRED)" CB 44 1.311 1
28 1 5 1 "RMS(OBS, PRED)" H 47 0.444 1
29 1 5 1 "RMS(OBS, PRED)" HA 47 0.350 1
30 1 5 1 "RMS(OBS, PRED)" N 47 3.143 1
31 1 6 1 "RMS(OBS, PRED)" C 49 1.052 1
32 1 6 1 "RMS(OBS, PRED)" CA 46 1.151 1
33 1 6 1 "RMS(OBS, PRED)" CB 44 1.047 1
34 1 6 1 "RMS(OBS, PRED)" H 47 0.449 1
35 1 6 1 "RMS(OBS, PRED)" HA 47 0.323 1
36 1 6 1 "RMS(OBS, PRED)" N 47 3.084 1
37 1 7 1 "RMS(OBS, PRED)" C 49 1.080 1
38 1 7 1 "RMS(OBS, PRED)" CA 46 1.065 1
39 1 7 1 "RMS(OBS, PRED)" CB 44 1.385 1
40 1 7 1 "RMS(OBS, PRED)" H 47 0.436 1
41 1 7 1 "RMS(OBS, PRED)" HA 47 0.340 1
42 1 7 1 "RMS(OBS, PRED)" N 47 2.600 1
43 1 8 1 "RMS(OBS, PRED)" C 49 1.186 1
44 1 8 1 "RMS(OBS, PRED)" CA 46 1.098 1
45 1 8 1 "RMS(OBS, PRED)" CB 44 1.330 1
46 1 8 1 "RMS(OBS, PRED)" H 47 0.427 1
47 1 8 1 "RMS(OBS, PRED)" HA 47 0.345 1
48 1 8 1 "RMS(OBS, PRED)" N 47 2.665 1
49 1 9 1 "RMS(OBS, PRED)" C 49 1.134 1
50 1 9 1 "RMS(OBS, PRED)" CA 46 1.156 1
51 1 9 1 "RMS(OBS, PRED)" CB 44 1.634 1
52 1 9 1 "RMS(OBS, PRED)" H 47 0.459 1
53 1 9 1 "RMS(OBS, PRED)" HA 47 0.406 1
54 1 9 1 "RMS(OBS, PRED)" N 47 3.118 1
55 1 10 1 "RMS(OBS, PRED)" C 49 1.202 1
56 1 10 1 "RMS(OBS, PRED)" CA 46 1.121 1
57 1 10 1 "RMS(OBS, PRED)" CB 44 1.172 1
58 1 10 1 "RMS(OBS, PRED)" H 47 0.427 1
59 1 10 1 "RMS(OBS, PRED)" HA 47 0.388 1
60 1 10 1 "RMS(OBS, PRED)" N 47 2.855 1
61 1 11 1 "RMS(OBS, PRED)" C 49 1.147 1
62 1 11 1 "RMS(OBS, PRED)" CA 46 1.109 1
63 1 11 1 "RMS(OBS, PRED)" CB 44 1.585 1
64 1 11 1 "RMS(OBS, PRED)" H 47 0.449 1
65 1 11 1 "RMS(OBS, PRED)" HA 47 0.320 1
66 1 11 1 "RMS(OBS, PRED)" N 47 3.422 1
67 1 12 1 "RMS(OBS, PRED)" C 49 1.122 1
68 1 12 1 "RMS(OBS, PRED)" CA 46 1.203 1
69 1 12 1 "RMS(OBS, PRED)" CB 44 1.476 1
70 1 12 1 "RMS(OBS, PRED)" H 47 0.448 1
71 1 12 1 "RMS(OBS, PRED)" HA 47 0.375 1
72 1 12 1 "RMS(OBS, PRED)" N 47 3.011 1
73 1 13 1 "RMS(OBS, PRED)" C 49 1.256 1
74 1 13 1 "RMS(OBS, PRED)" CA 46 1.287 1
75 1 13 1 "RMS(OBS, PRED)" CB 44 1.730 1
76 1 13 1 "RMS(OBS, PRED)" H 47 0.484 1
77 1 13 1 "RMS(OBS, PRED)" HA 47 0.389 1
78 1 13 1 "RMS(OBS, PRED)" N 47 3.114 1
79 1 14 1 "RMS(OBS, PRED)" C 49 1.092 1
80 1 14 1 "RMS(OBS, PRED)" CA 46 1.121 1
81 1 14 1 "RMS(OBS, PRED)" CB 44 1.424 1
82 1 14 1 "RMS(OBS, PRED)" H 47 0.448 1
83 1 14 1 "RMS(OBS, PRED)" HA 47 0.353 1
84 1 14 1 "RMS(OBS, PRED)" N 47 3.027 1
85 1 15 1 "RMS(OBS, PRED)" C 49 1.215 1
86 1 15 1 "RMS(OBS, PRED)" CA 46 1.339 1
87 1 15 1 "RMS(OBS, PRED)" CB 44 1.260 1
88 1 15 1 "RMS(OBS, PRED)" H 47 0.441 1
89 1 15 1 "RMS(OBS, PRED)" HA 47 0.346 1
90 1 15 1 "RMS(OBS, PRED)" N 47 3.236 1
91 1 16 1 "RMS(OBS, PRED)" C 49 1.084 1
92 1 16 1 "RMS(OBS, PRED)" CA 46 1.083 1
93 1 16 1 "RMS(OBS, PRED)" CB 44 1.524 1
94 1 16 1 "RMS(OBS, PRED)" H 47 0.447 1
95 1 16 1 "RMS(OBS, PRED)" HA 47 0.339 1
96 1 16 1 "RMS(OBS, PRED)" N 47 3.326 1
97 1 17 1 "RMS(OBS, PRED)" C 49 1.086 1
98 1 17 1 "RMS(OBS, PRED)" CA 46 1.068 1
99 1 17 1 "RMS(OBS, PRED)" CB 44 1.215 1
100 1 17 1 "RMS(OBS, PRED)" H 47 0.377 1
101 1 17 1 "RMS(OBS, PRED)" HA 47 0.350 1
102 1 17 1 "RMS(OBS, PRED)" N 47 2.731 1
103 1 18 1 "RMS(OBS, PRED)" C 49 1.079 1
104 1 18 1 "RMS(OBS, PRED)" CA 46 1.139 1
105 1 18 1 "RMS(OBS, PRED)" CB 44 1.174 1
106 1 18 1 "RMS(OBS, PRED)" H 47 0.459 1
107 1 18 1 "RMS(OBS, PRED)" HA 47 0.305 1
108 1 18 1 "RMS(OBS, PRED)" N 47 2.577 1
109 1 19 1 "RMS(OBS, PRED)" C 49 1.114 1
110 1 19 1 "RMS(OBS, PRED)" CA 46 1.163 1
111 1 19 1 "RMS(OBS, PRED)" CB 44 1.270 1
112 1 19 1 "RMS(OBS, PRED)" H 47 0.411 1
113 1 19 1 "RMS(OBS, PRED)" HA 47 0.326 1
114 1 19 1 "RMS(OBS, PRED)" N 47 2.719 1
115 1 20 1 "RMS(OBS, PRED)" C 49 1.142 1
116 1 20 1 "RMS(OBS, PRED)" CA 46 0.979 1
117 1 20 1 "RMS(OBS, PRED)" CB 44 1.160 1
118 1 20 1 "RMS(OBS, PRED)" H 47 0.459 1
119 1 20 1 "RMS(OBS, PRED)" HA 47 0.402 1
120 1 20 1 "RMS(OBS, PRED)" N 47 2.925 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 6 . 1 1 A 2 2 ASP HA H 2 4.569 4.777 -0.208 2
1 9 . 1 1 A 2 2 ASP C C 2 176.530 175.533 0.997 2
1 10 . 1 1 A 2 2 ASP CA C 2 54.589 54.580 0.009 2
1 11 . 1 1 A 2 2 ASP CB C 2 41.462 41.992 -0.530 2
1 12 . 1 1 A 3 3 SER H H 3 8.267 8.318 -0.051 2
1 13 . 1 1 A 3 3 SER HA H 3 4.276 4.781 -0.505 2
1 16 . 1 1 A 3 3 SER C C 3 174.667 173.861 0.806 2
1 17 . 1 1 A 3 3 SER CA C 3 58.605 57.674 0.931 2
1 18 . 1 1 A 3 3 SER CB C 3 63.763 64.899 -1.136 2
1 19 . 1 1 A 3 3 SER N N 3 116.529 114.972 1.557 2
1 20 . 1 1 A 4 4 ALA H H 4 8.196 8.523 -0.327 2
1 21 . 1 1 A 4 4 ALA HA H 4 4.179 4.415 -0.236 2
1 25 . 1 1 A 4 4 ALA C C 4 178.021 177.605 0.416 2
1 26 . 1 1 A 4 4 ALA CA C 4 52.977 52.950 0.027 2
1 27 . 1 1 A 4 4 ALA CB C 4 19.202 20.116 -0.914 2
1 28 . 1 1 A 4 4 ALA N N 4 125.751 125.817 -0.066 2
1 29 . 1 1 A 5 5 VAL H H 5 7.811 8.157 -0.346 2
1 30 . 1 1 A 5 5 VAL HA H 5 3.912 4.178 -0.267 2
1 38 . 1 1 A 5 5 VAL C C 5 176.344 175.758 0.586 2
1 39 . 1 1 A 5 5 VAL CA C 5 62.506 62.596 -0.090 2
1 40 . 1 1 A 5 5 VAL CB C 5 32.588 32.891 -0.303 2
1 43 . 1 1 A 5 5 VAL N N 5 118.872 118.264 0.608 2
1 44 . 1 1 A 6 6 ARG H H 6 8.146 8.226 -0.080 2
1 45 . 1 1 A 6 6 ARG HA H 6 4.195 4.538 -0.343 2
1 50 . 1 1 A 6 6 ARG C C 6 176.344 175.670 0.674 2
1 51 . 1 1 A 6 6 ARG CA C 6 56.173 56.196 -0.023 2
1 52 . 1 1 A 6 6 ARG CB C 6 30.859 31.553 -0.694 2
1 54 . 1 1 A 6 6 ARG N N 6 124.824 121.832 2.992 2
1 55 . 1 1 A 7 7 LYS H H 7 8.207 8.313 -0.106 2
1 56 . 1 1 A 7 7 LYS C C 7 176.792 175.923 0.869 2
1 57 . 1 1 A 7 7 LYS N N 7 123.109 120.656 2.453 2
1 58 . 1 1 A 8 8 LYS H H 8 8.258 8.323 -0.065 2
1 59 . 1 1 A 8 8 LYS C C 8 176.903 176.016 0.887 2
1 60 . 1 1 A 8 8 LYS N N 8 122.855 120.606 2.249 2
1 61 . 1 1 A 9 9 SER H H 9 8.197 8.502 -0.305 2
1 62 . 1 1 A 9 9 SER HA H 9 4.243 4.708 -0.465 2
1 65 . 1 1 A 9 9 SER C C 9 174.667 173.959 0.708 2
1 66 . 1 1 A 9 9 SER CA C 9 58.831 58.424 0.407 2
1 67 . 1 1 A 9 9 SER CB C 9 63.763 64.839 -1.076 2
1 68 . 1 1 A 9 9 SER N N 9 116.772 115.947 0.825 2
1 69 . 1 1 A 10 10 GLU H H 10 8.280 8.282 -0.002 2
1 70 . 1 1 A 10 10 GLU HA H 10 4.201 4.652 -0.451 2
1 73 . 1 1 A 10 10 GLU C C 10 176.530 175.989 0.541 2
1 74 . 1 1 A 10 10 GLU CA C 10 56.610 55.819 0.791 2
1 75 . 1 1 A 10 10 GLU CB C 10 30.511 31.305 -0.794 2
1 76 . 1 1 A 10 10 GLU N N 10 123.218 121.073 2.145 2
1 77 . 1 1 A 11 11 VAL H H 11 8.032 8.209 -0.177 2
1 78 . 1 1 A 11 11 VAL HA H 11 3.888 4.258 -0.370 2
1 86 . 1 1 A 11 11 VAL C C 11 176.344 175.703 0.641 2
1 87 . 1 1 A 11 11 VAL CA C 11 62.778 62.632 0.146 2
1 88 . 1 1 A 11 11 VAL CB C 11 32.229 33.208 -0.979 2
1 91 . 1 1 A 11 11 VAL N N 11 121.505 121.131 0.374 2
1 92 . 1 1 A 12 12 ARG H H 12 8.269 8.248 0.021 2
1 93 . 1 1 A 12 12 ARG HA H 12 4.195 4.460 -0.265 2
1 98 . 1 1 A 12 12 ARG C C 12 176.344 175.354 0.990 2
1 99 . 1 1 A 12 12 ARG CA C 12 56.173 56.274 -0.101 2
1 100 . 1 1 A 12 12 ARG CB C 12 30.859 31.439 -0.580 2
1 102 . 1 1 A 12 12 ARG N N 12 124.717 123.257 1.460 2
1 103 . 1 1 A 13 13 GLN H H 13 8.246 8.338 -0.092 2
1 104 . 1 1 A 13 13 GLN HA H 13 4.208 4.477 -0.269 2
1 111 . 1 1 A 13 13 GLN C C 13 175.971 176.428 -0.457 2
1 112 . 1 1 A 13 13 GLN CA C 13 55.916 55.089 0.827 2
1 113 . 1 1 A 13 13 GLN CB C 13 29.864 28.278 1.586 2
1 115 . 1 1 A 13 13 GLN N N 13 121.386 120.936 0.450 2
1 117 . 1 1 A 14 14 LYS H H 14 8.276 8.383 -0.107 2
1 118 . 1 1 A 14 14 LYS HA H 14 4.149 4.128 0.021 2
1 127 . 1 1 A 14 14 LYS C C 14 175.971 176.418 -0.447 2
1 128 . 1 1 A 14 14 LYS CA C 14 56.518 58.467 -1.949 2
1 129 . 1 1 A 14 14 LYS CB C 14 33.073 32.175 0.898 2
1 133 . 1 1 A 14 14 LYS N N 14 123.021 121.954 1.067 2
1 134 . 1 1 A 15 15 THR H H 15 7.720 7.585 0.135 2
1 135 . 1 1 A 15 15 THR HA H 15 4.225 4.371 -0.146 2
1 140 . 1 1 A 15 15 THR C C 15 173.801 173.681 0.120 2
1 141 . 1 1 A 15 15 THR CA C 15 62.211 61.884 0.327 2
1 142 . 1 1 A 15 15 THR CB C 15 70.979 69.945 1.034 2
1 144 . 1 1 A 15 15 THR N N 15 114.171 115.616 -1.445 2
1 145 . 1 1 A 16 16 VAL H H 16 9.143 8.412 0.731 2
1 146 . 1 1 A 16 16 VAL HA H 16 4.004 4.721 -0.717 2
1 154 . 1 1 A 16 16 VAL C C 16 174.853 174.688 0.165 2
1 155 . 1 1 A 16 16 VAL CA C 16 62.452 61.143 1.309 2
1 156 . 1 1 A 16 16 VAL CB C 16 33.361 34.129 -0.768 2
1 159 . 1 1 A 16 16 VAL N N 16 126.087 124.165 1.922 2
1 160 . 1 1 A 17 17 VAL H H 17 8.364 8.724 -0.360 2
1 161 . 1 1 A 17 17 VAL HA H 17 4.653 4.797 -0.144 2
1 169 . 1 1 A 17 17 VAL C C 17 176.716 174.076 2.640 2
1 170 . 1 1 A 17 17 VAL CA C 17 61.419 60.412 1.007 2
1 171 . 1 1 A 17 17 VAL CB C 17 33.022 34.136 -1.114 2
1 174 . 1 1 A 17 17 VAL N N 17 127.119 125.383 1.736 2
1 175 . 1 1 A 18 18 ARG H H 18 9.038 8.816 0.222 2
1 176 . 1 1 A 18 18 ARG HA H 18 4.669 4.836 -0.167 2
1 181 . 1 1 A 18 18 ARG C C 18 174.480 174.380 0.100 2
1 182 . 1 1 A 18 18 ARG CA C 18 54.148 54.594 -0.446 2
1 183 . 1 1 A 18 18 ARG CB C 18 33.202 34.164 -0.962 2
1 185 . 1 1 A 18 18 ARG N N 18 126.432 129.124 -2.692 2
1 186 . 1 1 A 19 19 THR H H 19 8.536 8.609 -0.073 2
1 187 . 1 1 A 19 19 THR HA H 19 4.727 4.887 -0.160 2
1 192 . 1 1 A 19 19 THR C C 19 173.644 173.203 0.441 2
1 193 . 1 1 A 19 19 THR CA C 19 62.000 62.038 -0.038 2
1 194 . 1 1 A 19 19 THR CB C 19 69.919 69.824 0.095 2
1 196 . 1 1 A 19 19 THR N N 19 118.670 117.805 0.865 2
1 197 . 1 1 A 20 20 LEU H H 20 8.972 8.974 -0.002 2
1 198 . 1 1 A 20 20 LEU HA H 20 4.430 4.905 -0.476 2
1 208 . 1 1 A 20 20 LEU C C 20 174.294 175.247 -0.953 2
1 209 . 1 1 A 20 20 LEU CA C 20 52.892 53.690 -0.798 2
1 210 . 1 1 A 20 20 LEU CB C 20 45.825 44.739 1.086 2
1 214 . 1 1 A 20 20 LEU N N 20 128.320 128.318 0.002 2
1 215 . 1 1 A 21 21 ARG H H 21 7.938 8.542 -0.604 2
1 216 . 1 1 A 21 21 ARG HA H 21 4.945 4.853 0.092 2
1 223 . 1 1 A 21 21 ARG C C 21 175.333 175.264 0.069 2
1 224 . 1 1 A 21 21 ARG CA C 21 54.721 55.297 -0.576 2
1 225 . 1 1 A 21 21 ARG CB C 21 32.512 32.597 -0.085 2
1 228 . 1 1 A 21 21 ARG N N 21 119.462 124.946 -5.484 2
1 229 . 1 1 A 22 22 PHE H H 22 9.021 8.920 0.101 2
1 230 . 1 1 A 22 22 PHE HA H 22 4.777 5.084 -0.307 2
1 238 . 1 1 A 22 22 PHE C C 22 175.039 174.900 0.139 2
1 239 . 1 1 A 22 22 PHE CA C 22 56.549 56.765 -0.216 2
1 240 . 1 1 A 22 22 PHE CB C 22 43.356 43.335 0.021 2
1 246 . 1 1 A 22 22 PHE N N 22 120.286 119.993 0.293 2
1 247 . 1 1 A 23 23 SER H H 23 9.411 8.966 0.445 2
1 248 . 1 1 A 23 23 SER HA H 23 4.937 4.773 0.164 2
1 249 . 1 1 A 23 23 SER C C 23 177.544 174.699 2.845 2
1 250 . 1 1 A 23 23 SER CA C 23 56.727 57.062 -0.335 2
1 251 . 1 1 A 23 23 SER N N 23 119.420 118.947 0.473 2
1 252 . 1 1 A 24 24 PRO HA H 24 4.095 4.334 -0.239 2
1 259 . 1 1 A 24 24 PRO C C 24 179.325 178.721 0.604 2
1 260 . 1 1 A 24 24 PRO CA C 24 66.570 65.439 1.131 2
1 261 . 1 1 A 24 24 PRO CB C 24 31.862 31.794 0.068 2
1 264 . 1 1 A 25 25 VAL H H 25 7.563 7.468 0.095 2
1 265 . 1 1 A 25 25 VAL HA H 25 3.779 3.793 -0.014 2
1 273 . 1 1 A 25 25 VAL C C 25 178.846 177.881 0.965 2
1 274 . 1 1 A 25 25 VAL CA C 25 65.693 65.512 0.181 2
1 275 . 1 1 A 25 25 VAL CB C 25 32.040 31.456 0.584 2
1 278 . 1 1 A 25 25 VAL N N 25 116.405 116.241 0.164 2
1 279 . 1 1 A 26 26 GLU H H 26 7.512 8.378 -0.866 2
1 280 . 1 1 A 26 26 GLU HA H 26 3.838 4.020 -0.182 2
1 285 . 1 1 A 26 26 GLU C C 26 178.766 178.811 -0.045 2
1 286 . 1 1 A 26 26 GLU CA C 26 58.902 59.880 -0.978 2
1 287 . 1 1 A 26 26 GLU CB C 26 30.798 29.499 1.299 2
1 289 . 1 1 A 26 26 GLU N N 26 122.557 119.179 3.378 2
1 290 . 1 1 A 27 27 ASP H H 27 8.669 8.506 0.163 2
1 291 . 1 1 A 27 27 ASP HA H 27 3.900 4.209 -0.309 2
1 294 . 1 1 A 27 27 ASP C C 27 177.586 178.394 -0.808 2
1 295 . 1 1 A 27 27 ASP CA C 27 57.954 57.556 0.398 2
1 296 . 1 1 A 27 27 ASP CB C 27 43.617 41.741 1.876 2
1 297 . 1 1 A 27 27 ASP N N 27 118.012 120.015 -2.003 2
1 298 . 1 1 A 28 28 GLU H H 28 7.875 8.250 -0.375 2
1 299 . 1 1 A 28 28 GLU HA H 28 3.738 3.990 -0.252 2
1 302 . 1 1 A 28 28 GLU C C 28 178.837 179.118 -0.281 2
1 303 . 1 1 A 28 28 GLU CA C 28 59.710 59.334 0.376 2
1 304 . 1 1 A 28 28 GLU CB C 28 29.550 29.540 0.010 2
1 305 . 1 1 A 28 28 GLU N N 28 118.040 118.926 -0.886 2
1 306 . 1 1 A 29 29 THR H H 29 7.662 8.047 -0.385 2
1 307 . 1 1 A 29 29 THR HA H 29 3.739 3.937 -0.198 2
1 312 . 1 1 A 29 29 THR C C 29 176.344 176.153 0.191 2
1 313 . 1 1 A 29 29 THR CA C 29 66.756 67.191 -0.434 2
1 314 . 1 1 A 29 29 THR CB C 29 68.663 68.753 -0.090 2
1 316 . 1 1 A 29 29 THR N N 29 116.635 116.588 0.047 2
1 317 . 1 1 A 30 30 ILE H H 30 7.875 8.168 -0.293 2
1 318 . 1 1 A 30 30 ILE HA H 30 3.159 3.422 -0.263 2
1 328 . 1 1 A 30 30 ILE C C 30 176.903 177.996 -1.093 2
1 329 . 1 1 A 30 30 ILE CA C 30 65.390 65.229 0.161 2
1 330 . 1 1 A 30 30 ILE CB C 30 37.356 37.575 -0.219 2
1 334 . 1 1 A 30 30 ILE N N 30 121.804 120.855 0.949 2
1 335 . 1 1 A 31 31 ARG H H 31 8.502 8.166 0.336 2
1 336 . 1 1 A 31 31 ARG HA H 31 3.508 3.781 -0.273 2
1 343 . 1 1 A 31 31 ARG C C 31 179.262 178.645 0.617 2
1 344 . 1 1 A 31 31 ARG CA C 31 60.462 59.641 0.821 2
1 345 . 1 1 A 31 31 ARG CB C 31 30.075 29.744 0.331 2
1 348 . 1 1 A 31 31 ARG N N 31 119.175 120.399 -1.224 2
1 349 . 1 1 A 32 32 LYS H H 32 7.497 7.824 -0.327 2
1 350 . 1 1 A 32 32 LYS HA H 32 3.884 4.009 -0.125 2
1 357 . 1 1 A 32 32 LYS C C 32 178.207 179.180 -0.973 2
1 358 . 1 1 A 32 32 LYS CA C 32 59.176 59.503 -0.327 2
1 359 . 1 1 A 32 32 LYS CB C 32 32.020 32.113 -0.093 2
1 362 . 1 1 A 32 32 LYS N N 32 119.486 118.092 1.394 2
1 363 . 1 1 A 33 33 LYS H H 33 7.540 8.025 -0.485 2
1 366 . 1 1 A 33 33 LYS C C 33 179.884 178.680 1.204 2
1 367 . 1 1 A 33 33 LYS CB C 33 32.095 32.079 0.016 2
1 368 . 1 1 A 33 33 LYS N N 33 119.050 119.610 -0.560 2
1 369 . 1 1 A 34 34 ALA H H 34 8.208 7.989 0.219 2
1 370 . 1 1 A 34 34 ALA HA H 34 3.448 3.903 -0.455 2
1 374 . 1 1 A 34 34 ALA C C 34 179.325 178.861 0.464 2
1 375 . 1 1 A 34 34 ALA CA C 34 55.826 55.099 0.727 2
1 376 . 1 1 A 34 34 ALA CB C 34 17.665 18.082 -0.417 2
1 377 . 1 1 A 34 34 ALA N N 34 122.909 121.583 1.326 2
1 378 . 1 1 A 35 35 GLU H H 35 7.997 8.195 -0.198 2
1 379 . 1 1 A 35 35 GLU HA H 35 3.877 4.052 -0.175 2
1 382 . 1 1 A 35 35 GLU C C 35 181.002 178.187 2.815 2
1 383 . 1 1 A 35 35 GLU CA C 35 59.737 59.076 0.661 2
1 384 . 1 1 A 35 35 GLU CB C 35 29.381 29.111 0.270 2
1 385 . 1 1 A 35 35 GLU N N 35 119.482 118.437 1.045 2
1 386 . 1 1 A 36 36 ASP H H 36 8.405 8.243 0.162 2
1 387 . 1 1 A 36 36 ASP HA H 36 4.279 4.404 -0.125 2
1 390 . 1 1 A 36 36 ASP C C 36 177.834 178.037 -0.203 2
1 391 . 1 1 A 36 36 ASP CA C 36 57.178 57.117 0.061 2
1 392 . 1 1 A 36 36 ASP CB C 36 40.502 41.013 -0.511 2
1 393 . 1 1 A 36 36 ASP N N 36 120.553 120.482 0.071 2
1 394 . 1 1 A 37 37 SER H H 37 7.481 7.785 -0.304 2
1 395 . 1 1 A 37 37 SER HA H 37 4.450 4.528 -0.078 2
1 398 . 1 1 A 37 37 SER C C 37 174.294 174.808 -0.514 2
1 399 . 1 1 A 37 37 SER CA C 37 59.149 58.386 0.763 2
1 400 . 1 1 A 37 37 SER CB C 37 64.866 63.757 1.109 2
1 401 . 1 1 A 37 37 SER N N 37 112.666 112.786 -0.120 2
1 402 . 1 1 A 38 38 GLY H H 38 7.871 8.312 -0.441 2
1 403 . 1 1 A 38 38 GLY HA2 H 38 3.895 3.939 -0.044 2
1 404 . 1 1 A 38 38 GLY HA3 H 38 3.772 3.947 -0.175 2
1 405 . 1 1 A 38 38 GLY C C 38 174.108 174.064 0.044 2
1 406 . 1 1 A 38 38 GLY CA C 38 46.433 46.007 0.426 2
1 407 . 1 1 A 38 38 GLY N N 38 110.893 110.078 0.815 2
1 408 . 1 1 A 39 39 LEU H H 39 7.850 7.740 0.110 2
1 409 . 1 1 A 39 39 LEU HA H 39 4.782 4.599 0.183 2
1 419 . 1 1 A 39 39 LEU C C 39 177.538 175.768 1.770 2
1 420 . 1 1 A 39 39 LEU CA C 39 53.141 53.720 -0.579 2
1 421 . 1 1 A 39 39 LEU CB C 39 47.097 43.754 3.343 2
1 425 . 1 1 A 39 39 LEU N N 39 119.947 121.733 -1.786 2
1 426 . 1 1 A 40 40 THR H H 40 7.654 8.606 -0.952 2
1 427 . 1 1 A 40 40 THR HA H 40 4.234 4.404 -0.170 2
1 432 . 1 1 A 40 40 THR C C 40 175.658 175.814 -0.155 2
1 433 . 1 1 A 40 40 THR CA C 40 61.188 62.226 -1.038 2
1 434 . 1 1 A 40 40 THR CB C 40 70.501 69.388 1.113 2
1 436 . 1 1 A 40 40 THR N N 40 109.345 118.523 -9.178 2
1 437 . 1 1 A 41 41 VAL H H 41 8.721 8.766 -0.045 2
1 438 . 1 1 A 41 41 VAL HA H 41 3.239 3.672 -0.433 2
1 446 . 1 1 A 41 41 VAL C C 41 178.021 177.491 0.530 2
1 447 . 1 1 A 41 41 VAL CA C 41 68.189 66.519 1.670 2
1 448 . 1 1 A 41 41 VAL CB C 41 31.300 31.604 -0.304 2
1 451 . 1 1 A 41 41 VAL N N 41 121.470 127.805 -6.335 2
1 452 . 1 1 A 42 42 SER H H 42 8.424 8.153 0.271 2
1 453 . 1 1 A 42 42 SER HA H 42 3.742 4.179 -0.437 2
1 454 . 1 1 A 42 42 SER C C 42 175.785 177.056 -1.271 2
1 455 . 1 1 A 42 42 SER CA C 42 62.514 61.508 1.006 2
1 456 . 1 1 A 42 42 SER N N 42 113.251 114.570 -1.319 2
1 457 . 1 1 A 43 43 ALA H H 43 7.494 7.698 -0.204 2
1 458 . 1 1 A 43 43 ALA HA H 43 3.916 4.086 -0.170 2
1 462 . 1 1 A 43 43 ALA C C 43 179.884 179.113 0.771 2
1 463 . 1 1 A 43 43 ALA CA C 43 55.172 54.955 0.217 2
1 464 . 1 1 A 43 43 ALA CB C 43 19.490 18.487 1.003 2
1 465 . 1 1 A 43 43 ALA N N 43 123.328 123.529 -0.201 2
1 466 . 1 1 A 44 44 TYR H H 44 8.662 8.650 0.012 2
1 467 . 1 1 A 44 44 TYR HA H 44 3.742 4.147 -0.405 2
1 474 . 1 1 A 44 44 TYR C C 44 177.593 177.406 0.187 2
1 475 . 1 1 A 44 44 TYR CA C 44 62.514 61.481 1.033 2
1 476 . 1 1 A 44 44 TYR CB C 44 39.211 38.622 0.589 2
1 481 . 1 1 A 44 44 TYR N N 44 119.611 119.832 -0.221 2
1 482 . 1 1 A 45 45 ILE H H 45 8.445 8.737 -0.292 2
1 483 . 1 1 A 45 45 ILE HA H 45 3.138 3.671 -0.533 2
1 493 . 1 1 A 45 45 ILE C C 45 177.462 177.951 -0.489 2
1 494 . 1 1 A 45 45 ILE CA C 45 66.393 64.875 1.518 2
1 495 . 1 1 A 45 45 ILE CB C 45 37.810 37.877 -0.067 2
1 499 . 1 1 A 45 45 ILE N N 45 118.859 121.169 -2.310 2
1 500 . 1 1 A 46 46 ARG H H 46 8.026 8.055 -0.029 2
1 501 . 1 1 A 46 46 ARG HA H 46 3.635 4.031 -0.396 2
1 506 . 1 1 A 46 46 ARG C C 46 177.462 178.296 -0.834 2
1 507 . 1 1 A 46 46 ARG CA C 46 60.816 58.857 1.959 2
1 508 . 1 1 A 46 46 ARG CB C 46 30.287 30.166 0.121 2
1 510 . 1 1 A 46 46 ARG N N 46 117.983 120.741 -2.758 2
1 511 . 1 1 A 47 47 ASN H H 47 8.026 8.572 -0.546 2
1 512 . 1 1 A 47 47 ASN HA H 47 4.078 4.355 -0.277 2
1 517 . 1 1 A 47 47 ASN C C 47 177.648 177.216 0.432 2
1 518 . 1 1 A 47 47 ASN CA C 47 56.329 56.728 -0.399 2
1 519 . 1 1 A 47 47 ASN CB C 47 38.112 39.333 -1.221 2
1 520 . 1 1 A 47 47 ASN N N 47 115.323 117.996 -2.673 2
1 522 . 1 1 A 48 48 ALA H H 48 7.809 8.092 -0.283 2
1 523 . 1 1 A 48 48 ALA HA H 48 3.792 3.886 -0.094 2
1 527 . 1 1 A 48 48 ALA C C 48 179.325 180.069 -0.744 2
1 528 . 1 1 A 48 48 ALA CA C 48 54.393 54.683 -0.290 2
1 529 . 1 1 A 48 48 ALA CB C 48 16.905 17.917 -1.012 2
1 530 . 1 1 A 48 48 ALA N N 48 121.450 121.284 0.166 2
1 531 . 1 1 A 49 49 ALA H H 49 7.863 7.796 0.067 2
1 532 . 1 1 A 49 49 ALA HA H 49 3.821 4.074 -0.253 2
1 536 . 1 1 A 49 49 ALA C C 49 178.503 179.170 -0.667 2
1 537 . 1 1 A 49 49 ALA CA C 49 54.016 54.546 -0.530 2
1 538 . 1 1 A 49 49 ALA CB C 49 19.693 18.394 1.299 2
1 539 . 1 1 A 49 49 ALA N N 49 117.188 120.204 -3.016 2
1 540 . 1 1 A 50 50 LEU H H 50 7.610 7.558 0.052 2
1 541 . 1 1 A 50 50 LEU HA H 50 4.062 4.202 -0.140 2
1 551 . 1 1 A 50 50 LEU C C 50 176.716 178.182 -1.466 2
1 552 . 1 1 A 50 50 LEU CA C 50 55.766 56.599 -0.833 2
1 553 . 1 1 A 50 50 LEU CB C 50 43.320 42.499 0.821 2
1 557 . 1 1 A 50 50 LEU N N 50 116.113 117.164 -1.051 2
stop_
save_