data_16476_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16476
_Entry.PDB_ID 2KNR
_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 14 . 1 1 1 A 5 5 ARG H H 2 8.281 8.550 -0.269 1
1 15 . 1 1 1 A 5 5 ARG HA H 2 4.126 4.639 -0.513 1
1 22 . 1 1 1 A 5 5 ARG C C 2 176.387 175.780 0.607 1
1 23 . 1 1 1 A 5 5 ARG CA C 2 56.556 56.193 0.363 1
1 24 . 1 1 1 A 5 5 ARG CB C 2 30.698 30.744 -0.046 1
1 27 . 1 1 1 A 5 5 ARG N N 2 123.269 125.449 -2.180 1
1 28 . 1 1 1 A 6 6 LEU H H 3 8.527 8.718 -0.191 1
1 29 . 1 1 1 A 6 6 LEU HA H 3 4.414 5.044 -0.630 1
1 39 . 1 1 1 A 6 6 LEU C C 3 178.040 175.963 2.077 1
1 40 . 1 1 1 A 6 6 LEU CA C 3 54.270 53.030 1.240 1
1 41 . 1 1 1 A 6 6 LEU CB C 3 43.612 45.603 -1.991 1
1 45 . 1 1 1 A 6 6 LEU N N 3 125.588 119.915 5.673 1
1 46 . 1 1 1 A 7 7 LYS H H 4 8.646 8.461 0.185 1
1 47 . 1 1 1 A 7 7 LYS HA H 4 4.524 4.511 0.013 1
1 56 . 1 1 1 A 7 7 LYS C C 4 178.029 177.452 0.577 1
1 57 . 1 1 1 A 7 7 LYS CA C 4 57.051 55.460 1.591 1
1 58 . 1 1 1 A 7 7 LYS CB C 4 32.877 33.162 -0.285 1
1 62 . 1 1 1 A 7 7 LYS N N 4 123.765 117.613 6.152 1
1 63 . 1 1 1 A 8 8 SER H H 5 8.316 8.485 -0.169 1
1 64 . 1 1 1 A 8 8 SER HA H 5 3.720 3.899 -0.179 1
1 67 . 1 1 1 A 8 8 SER C C 5 174.858 176.224 -1.366 1
1 68 . 1 1 1 A 8 8 SER CA C 5 63.553 61.981 1.572 1
1 69 . 1 1 1 A 8 8 SER CB C 5 62.382 62.505 -0.123 1
1 70 . 1 1 1 A 8 8 SER N N 5 122.163 114.967 7.196 1
1 71 . 1 1 1 A 9 9 GLU H H 6 8.913 8.041 0.872 1
1 72 . 1 1 1 A 9 9 GLU HA H 6 3.401 3.226 0.175 1
1 77 . 1 1 1 A 9 9 GLU C C 6 177.494 178.208 -0.714 1
1 78 . 1 1 1 A 9 9 GLU CA C 6 59.824 58.648 1.176 1
1 79 . 1 1 1 A 9 9 GLU CB C 6 29.780 29.038 0.742 1
1 81 . 1 1 1 A 9 9 GLU N N 6 118.372 121.732 -3.360 1
1 82 . 1 1 1 A 10 10 MET H H 7 6.642 7.898 -1.256 1
1 83 . 1 1 1 A 10 10 MET HA H 7 4.200 4.189 0.011 1
1 91 . 1 1 1 A 10 10 MET C C 7 178.173 178.210 -0.037 1
1 92 . 1 1 1 A 10 10 MET CA C 7 57.360 58.052 -0.692 1
1 93 . 1 1 1 A 10 10 MET CB C 7 32.761 32.100 0.661 1
1 96 . 1 1 1 A 10 10 MET N N 7 117.318 119.075 -1.757 1
1 97 . 1 1 1 A 11 11 PHE H H 8 8.432 7.593 0.839 1
1 98 . 1 1 1 A 11 11 PHE HA H 8 3.718 4.135 -0.417 1
1 105 . 1 1 1 A 11 11 PHE C C 8 177.603 177.465 0.138 1
1 106 . 1 1 1 A 11 11 PHE CA C 8 61.845 61.249 0.596 1
1 107 . 1 1 1 A 11 11 PHE CB C 8 38.595 38.912 -0.317 1
1 112 . 1 1 1 A 11 11 PHE N N 8 122.099 120.875 1.224 1
1 113 . 1 1 1 A 12 12 VAL H H 9 8.133 7.813 0.320 1
1 114 . 1 1 1 A 12 12 VAL HA H 9 3.021 3.861 -0.840 1
1 122 . 1 1 1 A 12 12 VAL C C 9 176.668 178.062 -1.394 1
1 123 . 1 1 1 A 12 12 VAL CA C 9 67.353 65.402 1.951 1
1 124 . 1 1 1 A 12 12 VAL CB C 9 31.238 31.523 -0.285 1
1 127 . 1 1 1 A 12 12 VAL N N 9 119.317 119.306 0.011 1
1 128 . 1 1 1 A 13 13 SER H H 10 7.750 7.791 -0.041 1
1 129 . 1 1 1 A 13 13 SER HA H 10 3.905 4.196 -0.291 1
1 132 . 1 1 1 A 13 13 SER C C 10 176.947 177.221 -0.274 1
1 133 . 1 1 1 A 13 13 SER CA C 10 61.775 61.508 0.267 1
1 134 . 1 1 1 A 13 13 SER CB C 10 62.483 62.272 0.211 1
1 135 . 1 1 1 A 13 13 SER N N 10 114.115 116.283 -2.168 1
1 136 . 1 1 1 A 14 14 ALA H H 11 7.776 7.482 0.294 1
1 137 . 1 1 1 A 14 14 ALA HA H 11 3.860 4.064 -0.204 1
1 141 . 1 1 1 A 14 14 ALA C C 11 179.154 179.643 -0.489 1
1 142 . 1 1 1 A 14 14 ALA CA C 11 54.811 54.781 0.030 1
1 143 . 1 1 1 A 14 14 ALA CB C 11 17.641 18.116 -0.475 1
1 144 . 1 1 1 A 14 14 ALA N N 11 123.170 124.305 -1.135 1
1 145 . 1 1 1 A 15 15 LEU H H 12 7.732 7.965 -0.233 1
1 146 . 1 1 1 A 15 15 LEU HA H 12 3.636 3.828 -0.192 1
1 156 . 1 1 1 A 15 15 LEU C C 12 177.617 179.191 -1.574 1
1 157 . 1 1 1 A 15 15 LEU CA C 12 57.790 57.519 0.271 1
1 158 . 1 1 1 A 15 15 LEU CB C 12 41.352 41.386 -0.034 1
1 162 . 1 1 1 A 15 15 LEU N N 12 121.171 119.474 1.697 1
1 163 . 1 1 1 A 16 16 ILE H H 13 8.037 7.819 0.218 1
1 164 . 1 1 1 A 16 16 ILE HA H 13 3.061 3.500 -0.439 1
1 174 . 1 1 1 A 16 16 ILE C C 13 177.708 177.961 -0.253 1
1 175 . 1 1 1 A 16 16 ILE CA C 13 65.872 65.051 0.821 1
1 176 . 1 1 1 A 16 16 ILE CB C 13 37.704 37.680 0.024 1
1 180 . 1 1 1 A 16 16 ILE N N 13 117.849 120.003 -2.154 1
1 181 . 1 1 1 A 17 17 ARG H H 14 7.537 7.666 -0.129 1
1 182 . 1 1 1 A 17 17 ARG HA H 14 3.980 4.143 -0.163 1
1 189 . 1 1 1 A 17 17 ARG C C 14 179.876 179.019 0.857 1
1 190 . 1 1 1 A 17 17 ARG CA C 14 59.920 59.175 0.745 1
1 191 . 1 1 1 A 17 17 ARG CB C 14 29.995 29.558 0.437 1
1 194 . 1 1 1 A 17 17 ARG N N 14 117.366 120.678 -3.312 1
1 195 . 1 1 1 A 18 18 ARG H H 15 8.068 7.534 0.534 1
1 196 . 1 1 1 A 18 18 ARG HA H 15 3.868 3.995 -0.127 1
1 203 . 1 1 1 A 18 18 ARG C C 15 176.630 178.919 -2.289 1
1 204 . 1 1 1 A 18 18 ARG CA C 15 59.606 59.481 0.125 1
1 205 . 1 1 1 A 18 18 ARG CB C 15 30.327 30.564 -0.237 1
1 208 . 1 1 1 A 18 18 ARG N N 15 119.713 119.699 0.014 1
1 209 . 1 1 1 A 19 19 VAL H H 16 8.259 7.501 0.758 1
1 210 . 1 1 1 A 19 19 VAL HA H 16 3.296 3.710 -0.414 1
1 218 . 1 1 1 A 19 19 VAL C C 16 177.306 178.068 -0.762 1
1 219 . 1 1 1 A 19 19 VAL CA C 16 66.667 65.283 1.384 1
1 220 . 1 1 1 A 19 19 VAL CB C 16 30.421 31.327 -0.906 1
1 223 . 1 1 1 A 19 19 VAL N N 16 121.385 116.686 4.699 1
1 224 . 1 1 1 A 20 20 PHE H H 17 8.014 7.728 0.286 1
1 225 . 1 1 1 A 20 20 PHE HA H 17 4.222 4.239 -0.017 1
1 233 . 1 1 1 A 20 20 PHE C C 17 180.973 178.213 2.760 1
1 234 . 1 1 1 A 20 20 PHE CA C 17 61.988 61.507 0.481 1
1 235 . 1 1 1 A 20 20 PHE CB C 17 38.553 37.782 0.771 1
1 241 . 1 1 1 A 20 20 PHE N N 17 118.811 120.482 -1.671 1
1 242 . 1 1 1 A 21 21 ALA H H 18 8.192 7.942 0.250 1
1 243 . 1 1 1 A 21 21 ALA HA H 18 4.096 4.187 -0.091 1
1 247 . 1 1 1 A 21 21 ALA C C 18 178.425 178.864 -0.439 1
1 248 . 1 1 1 A 21 21 ALA CA C 18 54.716 54.500 0.216 1
1 249 . 1 1 1 A 21 21 ALA CB C 18 17.752 18.144 -0.392 1
1 250 . 1 1 1 A 21 21 ALA N N 18 122.995 121.586 1.409 1
1 251 . 1 1 1 A 22 22 ALA H H 19 7.256 7.300 -0.044 1
1 252 . 1 1 1 A 22 22 ALA HA H 19 4.356 4.362 -0.006 1
1 256 . 1 1 1 A 22 22 ALA C C 19 177.665 178.150 -0.485 1
1 257 . 1 1 1 A 22 22 ALA CA C 19 51.629 51.908 -0.279 1
1 258 . 1 1 1 A 22 22 ALA CB C 19 18.554 19.204 -0.650 1
1 259 . 1 1 1 A 22 22 ALA N N 19 118.872 118.442 0.430 1
1 260 . 1 1 1 A 23 23 GLY H H 20 7.774 8.206 -0.432 1
1 261 . 1 1 1 A 23 23 GLY HA2 H 20 4.207 3.987 0.220 1
1 262 . 1 1 1 A 23 23 GLY HA3 H 20 3.762 4.022 -0.260 1
1 263 . 1 1 1 A 23 23 GLY C C 20 174.779 174.752 0.027 1
1 264 . 1 1 1 A 23 23 GLY CA C 20 45.347 45.157 0.190 1
1 265 . 1 1 1 A 23 23 GLY N N 20 106.718 107.744 -1.026 1
1 266 . 1 1 1 A 24 24 GLY H H 21 7.795 7.852 -0.057 1
1 267 . 1 1 1 A 24 24 GLY HA2 H 21 4.538 3.950 0.588 1
1 268 . 1 1 1 A 24 24 GLY HA3 H 21 3.306 4.000 -0.694 1
1 269 . 1 1 1 A 24 24 GLY C C 21 171.187 172.215 -1.028 1
1 270 . 1 1 1 A 24 24 GLY CA C 21 43.665 44.060 -0.395 1
1 271 . 1 1 1 A 24 24 GLY N N 21 108.369 107.900 0.469 1
1 272 . 1 1 1 A 25 25 PHE H H 22 7.340 8.543 -1.203 1
1 273 . 1 1 1 A 25 25 PHE HA H 22 3.784 4.336 -0.552 1
1 280 . 1 1 1 A 25 25 PHE C C 22 172.423 172.960 -0.537 1
1 281 . 1 1 1 A 25 25 PHE CA C 22 56.434 56.079 0.355 1
1 282 . 1 1 1 A 25 25 PHE CB C 22 42.819 42.895 -0.076 1
1 287 . 1 1 1 A 25 25 PHE N N 22 117.754 119.563 -1.809 1
1 288 . 1 1 1 A 26 26 ALA H H 23 5.579 7.528 -1.949 1
1 289 . 1 1 1 A 26 26 ALA HA H 23 4.943 5.245 -0.302 1
1 293 . 1 1 1 A 26 26 ALA C C 23 173.842 175.201 -1.359 1
1 294 . 1 1 1 A 26 26 ALA CA C 23 50.257 50.908 -0.651 1
1 295 . 1 1 1 A 26 26 ALA CB C 23 25.150 23.471 1.679 1
1 296 . 1 1 1 A 26 26 ALA N N 23 126.477 126.553 -0.076 1
1 297 . 1 1 1 A 27 27 ALA H H 24 8.723 8.005 0.718 1
1 298 . 1 1 1 A 27 27 ALA HA H 24 4.330 4.818 -0.488 1
1 302 . 1 1 1 A 27 27 ALA C C 24 175.543 176.122 -0.579 1
1 303 . 1 1 1 A 27 27 ALA CA C 24 51.545 51.815 -0.270 1
1 304 . 1 1 1 A 27 27 ALA CB C 24 22.974 22.961 0.013 1
1 305 . 1 1 1 A 27 27 ALA N N 24 118.178 119.688 -1.510 1
1 306 . 1 1 1 A 28 28 VAL H H 25 8.841 9.015 -0.174 1
1 307 . 1 1 1 A 28 28 VAL HA H 25 3.972 4.075 -0.103 1
1 315 . 1 1 1 A 28 28 VAL C C 25 175.547 175.375 0.172 1
1 316 . 1 1 1 A 28 28 VAL CA C 25 64.153 63.383 0.770 1
1 317 . 1 1 1 A 28 28 VAL CB C 25 31.951 31.298 0.653 1
1 320 . 1 1 1 A 28 28 VAL N N 25 120.857 123.557 -2.700 1
1 321 . 1 1 1 A 29 29 GLU H H 26 8.595 9.079 -0.484 1
1 322 . 1 1 1 A 29 29 GLU HA H 26 4.275 4.389 -0.114 1
1 327 . 1 1 1 A 29 29 GLU C C 26 176.177 176.289 -0.112 1
1 328 . 1 1 1 A 29 29 GLU CA C 26 57.686 58.318 -0.632 1
1 329 . 1 1 1 A 29 29 GLU CB C 26 30.521 30.522 -0.001 1
1 331 . 1 1 1 A 29 29 GLU N N 26 132.091 127.946 4.145 1
1 332 . 1 1 1 A 30 30 LYS H H 27 8.163 7.558 0.605 1
1 333 . 1 1 1 A 30 30 LYS HA H 27 4.352 4.773 -0.421 1
1 342 . 1 1 1 A 30 30 LYS C C 27 174.232 174.877 -0.645 1
1 343 . 1 1 1 A 30 30 LYS CA C 27 55.370 55.185 0.185 1
1 344 . 1 1 1 A 30 30 LYS CB C 27 36.138 34.681 1.457 1
1 348 . 1 1 1 A 30 30 LYS N N 27 119.899 119.224 0.675 1
1 349 . 1 1 1 A 31 31 LYS H H 28 8.603 8.523 0.080 1
1 350 . 1 1 1 A 31 31 LYS HA H 28 3.268 4.196 -0.928 1
1 359 . 1 1 1 A 31 31 LYS C C 28 175.170 174.807 0.363 1
1 360 . 1 1 1 A 31 31 LYS CA C 28 56.089 53.819 2.270 1
1 361 . 1 1 1 A 31 31 LYS CB C 28 32.386 35.516 -3.130 1
1 365 . 1 1 1 A 31 31 LYS N N 28 129.067 126.459 2.608 1
1 366 . 1 1 1 A 32 32 GLY H H 29 3.335 6.579 -3.244 1
1 367 . 1 1 1 A 32 32 GLY HA2 H 29 3.652 3.947 -0.295 1
1 368 . 1 1 1 A 32 32 GLY HA3 H 29 2.313 4.004 -1.691 1
1 369 . 1 1 1 A 32 32 GLY C C 29 172.863 173.035 -0.172 1
1 370 . 1 1 1 A 32 32 GLY CA C 29 43.344 44.442 -1.098 1
1 371 . 1 1 1 A 32 32 GLY N N 29 113.639 111.727 1.912 1
1 372 . 1 1 1 A 33 33 ALA H H 30 8.202 8.164 0.038 1
1 373 . 1 1 1 A 33 33 ALA HA H 30 4.173 4.501 -0.328 1
1 377 . 1 1 1 A 33 33 ALA C C 30 181.026 178.473 2.553 1
1 378 . 1 1 1 A 33 33 ALA CA C 30 52.674 51.751 0.923 1
1 379 . 1 1 1 A 33 33 ALA CB C 30 19.020 19.491 -0.471 1
1 380 . 1 1 1 A 33 33 ALA N N 30 121.182 125.570 -4.388 1
1 381 . 1 1 1 A 34 34 GLU H H 31 9.313 9.214 0.099 1
1 382 . 1 1 1 A 34 34 GLU HA H 31 4.130 4.257 -0.127 1
1 387 . 1 1 1 A 34 34 GLU C C 31 177.137 178.733 -1.596 1
1 388 . 1 1 1 A 34 34 GLU CA C 31 61.214 59.181 2.033 1
1 389 . 1 1 1 A 34 34 GLU CB C 31 29.947 29.842 0.105 1
1 391 . 1 1 1 A 34 34 GLU N N 31 126.206 125.339 0.867 1
1 392 . 1 1 1 A 35 35 ALA H H 32 8.614 8.052 0.562 1
1 393 . 1 1 1 A 35 35 ALA HA H 32 4.377 4.252 0.125 1
1 397 . 1 1 1 A 35 35 ALA C C 32 180.260 179.312 0.948 1
1 398 . 1 1 1 A 35 35 ALA CA C 32 55.118 54.685 0.433 1
1 399 . 1 1 1 A 35 35 ALA CB C 32 18.192 19.305 -1.113 1
1 400 . 1 1 1 A 35 35 ALA N N 32 119.251 121.981 -2.730 1
1 401 . 1 1 1 A 36 36 ALA H H 33 8.467 7.735 0.732 1
1 402 . 1 1 1 A 36 36 ALA HA H 33 4.612 4.373 0.239 1
1 406 . 1 1 1 A 36 36 ALA C C 33 177.468 177.640 -0.172 1
1 407 . 1 1 1 A 36 36 ALA CA C 33 51.190 51.595 -0.405 1
1 408 . 1 1 1 A 36 36 ALA CB C 33 19.451 19.408 0.043 1
1 409 . 1 1 1 A 36 36 ALA N N 33 120.927 117.178 3.749 1
1 410 . 1 1 1 A 37 37 GLY H H 34 7.445 8.043 -0.598 1
1 411 . 1 1 1 A 37 37 GLY HA2 H 34 4.143 4.154 -0.011 1
1 412 . 1 1 1 A 37 37 GLY HA3 H 34 4.010 4.251 -0.241 1
1 413 . 1 1 1 A 37 37 GLY C C 34 174.885 173.338 1.547 1
1 414 . 1 1 1 A 37 37 GLY CA C 34 46.790 45.237 1.553 1
1 415 . 1 1 1 A 37 37 GLY N N 34 105.715 106.756 -1.041 1
1 416 . 1 1 1 A 38 38 ALA H H 35 9.722 8.186 1.536 1
1 417 . 1 1 1 A 38 38 ALA HA H 35 4.053 4.528 -0.475 1
1 421 . 1 1 1 A 38 38 ALA CA C 35 52.676 51.596 1.080 1
1 422 . 1 1 1 A 38 38 ALA CB C 35 20.069 20.330 -0.261 1
1 423 . 1 1 1 A 38 38 ALA N N 35 131.782 121.369 10.413 1
1 424 . 1 1 1 A 39 39 ILE H H 36 7.776 8.453 -0.677 1
1 425 . 1 1 1 A 39 39 ILE HA H 36 4.533 5.154 -0.621 1
1 435 . 1 1 1 A 39 39 ILE C C 36 172.754 174.794 -2.040 1
1 436 . 1 1 1 A 39 39 ILE CA C 36 61.429 60.642 0.787 1
1 437 . 1 1 1 A 39 39 ILE CB C 36 40.275 40.960 -0.685 1
1 441 . 1 1 1 A 39 39 ILE N N 36 119.692 120.640 -0.948 1
1 442 . 1 1 1 A 40 40 PHE H H 37 8.513 9.496 -0.983 1
1 443 . 1 1 1 A 40 40 PHE HA H 37 5.242 5.679 -0.437 1
1 448 . 1 1 1 A 40 40 PHE C C 37 175.559 174.384 1.175 1
1 449 . 1 1 1 A 40 40 PHE CA C 37 56.375 56.524 -0.149 1
1 450 . 1 1 1 A 40 40 PHE CB C 37 41.794 40.676 1.118 1
1 453 . 1 1 1 A 40 40 PHE N N 37 123.003 125.743 -2.740 1
1 454 . 1 1 1 A 41 41 VAL H H 38 8.898 9.010 -0.112 1
1 455 . 1 1 1 A 41 41 VAL HA H 38 4.981 4.899 0.082 1
1 463 . 1 1 1 A 41 41 VAL C C 38 174.233 175.353 -1.120 1
1 464 . 1 1 1 A 41 41 VAL CA C 38 60.287 61.248 -0.961 1
1 465 . 1 1 1 A 41 41 VAL CB C 38 35.122 34.006 1.116 1
1 468 . 1 1 1 A 41 41 VAL N N 38 120.239 123.526 -3.287 1
1 469 . 1 1 1 A 42 42 ARG H H 39 9.399 8.895 0.504 1
1 470 . 1 1 1 A 42 42 ARG HA H 39 5.094 5.386 -0.292 1
1 478 . 1 1 1 A 42 42 ARG C C 39 173.198 174.675 -1.477 1
1 479 . 1 1 1 A 42 42 ARG CA C 39 54.067 55.180 -1.113 1
1 480 . 1 1 1 A 42 42 ARG CB C 39 33.430 31.809 1.621 1
1 483 . 1 1 1 A 42 42 ARG N N 39 129.107 125.620 3.487 1
1 485 . 1 1 1 A 43 43 GLN H H 40 9.402 8.639 0.763 1
1 486 . 1 1 1 A 43 43 GLN HA H 40 5.371 5.100 0.271 1
1 493 . 1 1 1 A 43 43 GLN C C 40 174.278 174.733 -0.455 1
1 494 . 1 1 1 A 43 43 GLN CA C 40 52.778 55.433 -2.655 1
1 495 . 1 1 1 A 43 43 GLN CB C 40 31.703 30.199 1.504 1
1 497 . 1 1 1 A 43 43 GLN N N 40 127.936 124.764 3.172 1
1 499 . 1 1 1 A 44 44 ARG H H 41 8.875 9.018 -0.143 1
1 500 . 1 1 1 A 44 44 ARG HA H 41 4.488 4.805 -0.317 1
1 507 . 1 1 1 A 44 44 ARG C C 41 175.417 174.640 0.777 1
1 508 . 1 1 1 A 44 44 ARG CA C 41 56.319 55.073 1.246 1
1 509 . 1 1 1 A 44 44 ARG CB C 41 31.231 31.866 -0.635 1
1 512 . 1 1 1 A 44 44 ARG N N 41 127.617 128.527 -0.910 1
1 513 . 1 1 1 A 45 45 LEU H H 42 8.494 8.745 -0.251 1
1 514 . 1 1 1 A 45 45 LEU HA H 42 4.480 4.483 -0.003 1
1 524 . 1 1 1 A 45 45 LEU C C 42 179.893 178.590 1.303 1
1 525 . 1 1 1 A 45 45 LEU CA C 42 53.972 54.594 -0.622 1
1 526 . 1 1 1 A 45 45 LEU CB C 42 42.206 41.567 0.639 1
1 530 . 1 1 1 A 45 45 LEU N N 42 125.380 128.476 -3.096 1
1 531 . 1 1 1 A 46 46 ARG H H 43 9.223 8.664 0.559 1
1 532 . 1 1 1 A 46 46 ARG HA H 43 3.929 4.082 -0.153 1
1 539 . 1 1 1 A 46 46 ARG C C 43 177.114 177.396 -0.282 1
1 540 . 1 1 1 A 46 46 ARG CA C 43 58.773 58.012 0.761 1
1 541 . 1 1 1 A 46 46 ARG CB C 43 29.688 29.685 0.003 1
1 544 . 1 1 1 A 46 46 ARG N N 43 121.380 124.295 -2.915 1
1 545 . 1 1 1 A 47 47 ASP H H 44 7.727 7.777 -0.050 1
1 546 . 1 1 1 A 47 47 ASP HA H 44 4.373 4.569 -0.196 1
1 549 . 1 1 1 A 47 47 ASP C C 44 177.125 176.367 0.758 1
1 550 . 1 1 1 A 47 47 ASP CA C 44 53.256 54.357 -1.101 1
1 551 . 1 1 1 A 47 47 ASP CB C 44 39.993 40.986 -0.993 1
1 552 . 1 1 1 A 47 47 ASP N N 44 115.801 118.471 -2.670 1
1 553 . 1 1 1 A 48 48 GLY H H 45 7.878 7.861 0.017 1
1 554 . 1 1 1 A 48 48 GLY HA2 H 45 4.237 4.058 0.179 1
1 555 . 1 1 1 A 48 48 GLY HA3 H 45 3.531 4.059 -0.528 1
1 556 . 1 1 1 A 48 48 GLY C C 45 175.041 173.863 1.178 1
1 557 . 1 1 1 A 48 48 GLY CA C 45 45.289 45.011 0.278 1
1 558 . 1 1 1 A 48 48 GLY N N 45 108.005 105.887 2.118 1
1 559 . 1 1 1 A 49 49 ARG H H 46 7.696 7.836 -0.140 1
1 560 . 1 1 1 A 49 49 ARG HA H 46 4.309 4.835 -0.526 1
1 567 . 1 1 1 A 49 49 ARG C C 46 174.199 175.005 -0.806 1
1 568 . 1 1 1 A 49 49 ARG CA C 46 55.909 54.104 1.805 1
1 569 . 1 1 1 A 49 49 ARG CB C 46 31.226 33.150 -1.924 1
1 572 . 1 1 1 A 49 49 ARG N N 46 120.601 119.659 0.942 1
1 573 . 1 1 1 A 50 50 GLU H H 47 8.885 8.716 0.169 1
1 574 . 1 1 1 A 50 50 GLU HA H 47 5.381 5.494 -0.113 1
1 579 . 1 1 1 A 50 50 GLU C C 47 175.590 175.175 0.415 1
1 580 . 1 1 1 A 50 50 GLU CA C 47 55.057 54.830 0.227 1
1 581 . 1 1 1 A 50 50 GLU CB C 47 35.650 34.423 1.227 1
1 583 . 1 1 1 A 50 50 GLU N N 47 116.439 118.740 -2.301 1
1 584 . 1 1 1 A 51 51 ASN H H 48 8.683 9.018 -0.335 1
1 585 . 1 1 1 A 51 51 ASN HA H 48 5.153 5.333 -0.180 1
1 590 . 1 1 1 A 51 51 ASN C C 48 173.562 174.016 -0.454 1
1 591 . 1 1 1 A 51 51 ASN CA C 48 50.361 51.823 -1.462 1
1 592 . 1 1 1 A 51 51 ASN CB C 48 41.823 42.085 -0.262 1
1 593 . 1 1 1 A 51 51 ASN N N 48 114.752 118.944 -4.192 1
1 595 . 1 1 1 A 52 52 LEU H H 49 8.847 8.665 0.182 1
1 596 . 1 1 1 A 52 52 LEU HA H 49 5.274 5.084 0.190 1
1 606 . 1 1 1 A 52 52 LEU C C 49 174.213 173.588 0.625 1
1 607 . 1 1 1 A 52 52 LEU CA C 49 52.889 53.322 -0.433 1
1 608 . 1 1 1 A 52 52 LEU CB C 49 46.300 46.275 0.025 1
1 612 . 1 1 1 A 52 52 LEU N N 49 120.365 122.138 -1.773 1
1 613 . 1 1 1 A 53 53 TYR H H 50 9.641 9.021 0.620 1
1 614 . 1 1 1 A 53 53 TYR HA H 50 5.519 5.610 -0.091 1
1 621 . 1 1 1 A 53 53 TYR C C 50 175.473 175.441 0.032 1
1 622 . 1 1 1 A 53 53 TYR CA C 50 55.928 55.614 0.314 1
1 623 . 1 1 1 A 53 53 TYR CB C 50 40.076 43.075 -2.999 1
1 628 . 1 1 1 A 53 53 TYR N N 50 127.507 124.474 3.033 1
1 629 . 1 1 1 A 54 54 GLY H H 51 8.893 8.565 0.328 1
1 630 . 1 1 1 A 54 54 GLY HA2 H 51 4.687 3.525 1.162 1
1 631 . 1 1 1 A 54 54 GLY HA3 H 51 3.127 3.616 -0.489 1
1 632 . 1 1 1 A 54 54 GLY CA C 51 44.040 44.320 -0.280 1
1 633 . 1 1 1 A 54 54 GLY N N 51 108.518 109.254 -0.736 1
1 634 . 1 1 1 A 55 55 PRO HA H 52 3.849 3.679 0.170 1
1 641 . 1 1 1 A 55 55 PRO C C 52 176.695 176.670 0.025 1
1 642 . 1 1 1 A 55 55 PRO CA C 52 63.187 62.024 1.163 1
1 643 . 1 1 1 A 55 55 PRO CB C 52 32.096 31.505 0.591 1
1 646 . 1 1 1 A 56 56 ALA H H 53 7.675 7.880 -0.205 1
1 647 . 1 1 1 A 56 56 ALA HA H 53 4.242 4.557 -0.315 1
1 651 . 1 1 1 A 56 56 ALA CA C 53 49.506 50.786 -1.280 1
1 652 . 1 1 1 A 56 56 ALA CB C 53 18.096 17.689 0.407 1
1 653 . 1 1 1 A 56 56 ALA N N 53 126.695 124.035 2.660 1
1 654 . 1 1 1 A 57 57 PRO HA H 54 4.186 4.614 -0.428 1
1 661 . 1 1 1 A 57 57 PRO C C 54 179.368 175.966 3.402 1
1 662 . 1 1 1 A 57 57 PRO CA C 54 63.116 62.385 0.731 1
1 663 . 1 1 1 A 57 57 PRO CB C 54 31.747 29.740 2.007 1
1 666 . 1 1 1 A 58 58 GLN H H 55 8.278 8.459 -0.181 1
1 667 . 1 1 1 A 58 58 GLN HA H 55 4.083 4.414 -0.331 1
1 674 . 1 1 1 A 58 58 GLN C C 55 175.368 176.550 -1.182 1
1 675 . 1 1 1 A 58 58 GLN CA C 55 55.635 55.635 0.000 1
1 676 . 1 1 1 A 58 58 GLN CB C 55 29.927 29.902 0.025 1
1 678 . 1 1 1 A 58 58 GLN N N 55 121.313 122.887 -1.574 1
1 680 . 1 1 1 A 59 59 SER H H 56 8.182 8.914 -0.732 1
1 681 . 1 1 1 A 59 59 SER HA H 56 4.246 4.355 -0.109 1
1 684 . 1 1 1 A 59 59 SER C C 56 174.075 174.361 -0.286 1
1 685 . 1 1 1 A 59 59 SER CA C 56 57.667 57.297 0.370 1
1 686 . 1 1 1 A 59 59 SER CB C 56 63.751 62.269 1.482 1
1 687 . 1 1 1 A 59 59 SER N N 56 117.615 119.977 -2.362 1
1 688 . 1 1 1 A 60 60 PHE H H 57 8.100 7.367 0.733 1
1 689 . 1 1 1 A 60 60 PHE HA H 57 4.493 4.747 -0.254 1
1 696 . 1 1 1 A 60 60 PHE C C 57 175.439 174.755 0.684 1
1 697 . 1 1 1 A 60 60 PHE CA C 57 57.622 57.390 0.232 1
1 698 . 1 1 1 A 60 60 PHE CB C 57 39.519 39.281 0.238 1
1 703 . 1 1 1 A 60 60 PHE N N 57 121.890 119.162 2.728 1
1 704 . 1 1 1 A 61 61 ALA H H 58 8.234 8.476 -0.242 1
1 705 . 1 1 1 A 61 61 ALA HA H 58 4.165 4.282 -0.117 1
1 709 . 1 1 1 A 61 61 ALA C C 58 179.286 177.566 1.720 1
1 710 . 1 1 1 A 61 61 ALA CA C 58 52.471 51.132 1.339 1
1 711 . 1 1 1 A 61 61 ALA CB C 58 19.444 18.136 1.308 1
1 712 . 1 1 1 A 61 61 ALA N N 58 124.383 126.903 -2.520 1
1 713 . 1 1 1 A 62 62 ASP H H 59 8.017 8.911 -0.894 1
1 714 . 1 1 1 A 62 62 ASP HA H 59 4.412 4.360 0.052 1
1 717 . 1 1 1 A 62 62 ASP C C 59 176.073 174.809 1.264 1
1 718 . 1 1 1 A 62 62 ASP CA C 59 54.360 55.185 -0.825 1
1 719 . 1 1 1 A 62 62 ASP CB C 59 41.213 39.507 1.706 1
1 720 . 1 1 1 A 62 62 ASP N N 59 118.579 124.352 -5.773 1
1 721 . 1 1 1 A 63 63 ASP H H 60 8.096 8.622 -0.526 1
1 722 . 1 1 1 A 63 63 ASP HA H 60 4.346 4.297 0.049 1
1 725 . 1 1 1 A 63 63 ASP C C 60 176.619 175.751 0.868 1
1 726 . 1 1 1 A 63 63 ASP CA C 60 54.714 55.669 -0.955 1
1 727 . 1 1 1 A 63 63 ASP CB C 60 40.801 38.719 2.082 1
1 728 . 1 1 1 A 63 63 ASP N N 60 119.530 110.632 8.898 1
1 729 . 1 1 1 A 64 64 GLU H H 61 8.109 8.095 0.014 1
1 730 . 1 1 1 A 64 64 GLU HA H 61 4.012 4.092 -0.080 1
1 735 . 1 1 1 A 64 64 GLU C C 61 176.652 178.643 -1.991 1
1 736 . 1 1 1 A 64 64 GLU CA C 61 57.301 59.039 -1.738 1
1 737 . 1 1 1 A 64 64 GLU CB C 61 30.107 28.979 1.128 1
1 739 . 1 1 1 A 64 64 GLU N N 61 120.050 118.292 1.758 1
1 740 . 1 1 1 A 65 65 ASP H H 62 8.062 8.404 -0.342 1
1 741 . 1 1 1 A 65 65 ASP HA H 62 4.369 4.419 -0.050 1
1 744 . 1 1 1 A 65 65 ASP C C 62 177.458 178.409 -0.951 1
1 745 . 1 1 1 A 65 65 ASP CA C 62 54.645 56.410 -1.765 1
1 746 . 1 1 1 A 65 65 ASP CB C 62 40.896 40.515 0.381 1
1 747 . 1 1 1 A 65 65 ASP N N 62 120.211 119.826 0.385 1
1 748 . 1 1 1 A 66 66 ILE H H 63 7.805 7.597 0.208 1
1 749 . 1 1 1 A 66 66 ILE HA H 63 3.708 3.730 -0.022 1
1 759 . 1 1 1 A 66 66 ILE C C 63 176.802 177.515 -0.713 1
1 760 . 1 1 1 A 66 66 ILE CA C 63 62.754 64.460 -1.706 1
1 761 . 1 1 1 A 66 66 ILE CB C 63 38.230 37.957 0.273 1
1 765 . 1 1 1 A 66 66 ILE N N 63 121.259 119.959 1.300 1
1 766 . 1 1 1 A 67 67 MET H H 64 7.950 7.621 0.329 1
1 767 . 1 1 1 A 67 67 MET HA H 64 4.229 4.599 -0.370 1
1 775 . 1 1 1 A 67 67 MET C C 64 176.724 176.781 -0.057 1
1 776 . 1 1 1 A 67 67 MET CA C 64 55.944 54.524 1.420 1
1 777 . 1 1 1 A 67 67 MET CB C 64 31.826 34.026 -2.200 1
1 780 . 1 1 1 A 67 67 MET N N 64 118.533 115.424 3.109 1
1 781 . 1 1 1 A 68 68 ARG H H 65 7.604 7.691 -0.087 1
1 782 . 1 1 1 A 68 68 ARG HA H 65 4.197 4.477 -0.280 1
1 789 . 1 1 1 A 68 68 ARG C C 65 175.530 175.351 0.179 1
1 790 . 1 1 1 A 68 68 ARG CA C 65 56.028 55.775 0.253 1
1 791 . 1 1 1 A 68 68 ARG CB C 65 30.760 32.300 -1.540 1
1 794 . 1 1 1 A 68 68 ARG N N 65 118.706 117.526 1.180 1
1 795 . 1 1 1 A 69 69 ALA H H 66 7.634 7.723 -0.089 1
1 796 . 1 1 1 A 69 69 ALA HA H 66 4.254 4.796 -0.542 1
1 800 . 1 1 1 A 69 69 ALA C C 66 176.846 175.275 1.571 1
1 801 . 1 1 1 A 69 69 ALA CA C 66 51.905 50.688 1.217 1
1 802 . 1 1 1 A 69 69 ALA CB C 66 20.023 22.719 -2.696 1
1 803 . 1 1 1 A 69 69 ALA N N 66 123.528 120.207 3.321 1
1 804 . 1 1 1 A 70 70 GLU H H 67 8.192 8.505 -0.313 1
1 805 . 1 1 1 A 70 70 GLU HA H 67 4.228 4.317 -0.089 1
1 810 . 1 1 1 A 70 70 GLU C C 67 176.333 175.821 0.512 1
1 811 . 1 1 1 A 70 70 GLU CA C 67 55.928 56.278 -0.350 1
1 812 . 1 1 1 A 70 70 GLU CB C 67 30.769 29.487 1.282 1
1 814 . 1 1 1 A 70 70 GLU N N 67 120.599 121.367 -0.768 1
1 815 . 1 1 1 A 71 71 ARG H H 68 8.674 8.073 0.601 1
1 816 . 1 1 1 A 71 71 ARG HA H 68 3.696 4.429 -0.733 1
1 823 . 1 1 1 A 71 71 ARG C C 68 175.422 175.295 0.127 1
1 824 . 1 1 1 A 71 71 ARG CA C 68 56.964 56.247 0.717 1
1 825 . 1 1 1 A 71 71 ARG CB C 68 30.886 30.260 0.626 1
1 828 . 1 1 1 A 71 71 ARG N N 68 123.533 125.579 -2.046 1
1 829 . 1 1 1 A 72 72 ARG H H 69 7.660 8.787 -1.127 1
1 830 . 1 1 1 A 72 72 ARG HA H 69 4.642 4.710 -0.068 1
1 837 . 1 1 1 A 72 72 ARG C C 69 175.051 176.025 -0.974 1
1 838 . 1 1 1 A 72 72 ARG CA C 69 54.297 55.916 -1.619 1
1 839 . 1 1 1 A 72 72 ARG CB C 69 33.555 31.320 2.235 1
1 842 . 1 1 1 A 72 72 ARG N N 69 120.057 125.666 -5.609 1
1 843 . 1 1 1 A 73 73 PHE H H 70 8.714 8.723 -0.009 1
1 844 . 1 1 1 A 73 73 PHE HA H 70 5.020 4.949 0.071 1
1 852 . 1 1 1 A 73 73 PHE C C 70 173.159 174.816 -1.657 1
1 853 . 1 1 1 A 73 73 PHE CA C 70 57.359 56.806 0.553 1
1 854 . 1 1 1 A 73 73 PHE CB C 70 43.426 42.627 0.799 1
1 860 . 1 1 1 A 73 73 PHE N N 70 119.519 122.510 -2.991 1
1 861 . 1 1 1 A 74 74 GLU H H 71 9.404 9.190 0.214 1
1 862 . 1 1 1 A 74 74 GLU HA H 71 4.996 4.982 0.014 1
1 867 . 1 1 1 A 74 74 GLU C C 71 175.559 174.674 0.885 1
1 868 . 1 1 1 A 74 74 GLU CA C 71 52.975 54.628 -1.653 1
1 869 . 1 1 1 A 74 74 GLU CB C 71 33.399 33.386 0.013 1
1 871 . 1 1 1 A 74 74 GLU N N 71 117.679 118.158 -0.479 1
1 872 . 1 1 1 A 75 75 THR H H 72 9.801 9.010 0.791 1
1 873 . 1 1 1 A 75 75 THR HA H 72 4.108 4.774 -0.666 1
1 878 . 1 1 1 A 75 75 THR C C 72 175.065 173.916 1.149 1
1 879 . 1 1 1 A 75 75 THR CA C 72 64.296 62.516 1.780 1
1 880 . 1 1 1 A 75 75 THR CB C 72 67.635 68.825 -1.190 1
1 882 . 1 1 1 A 75 75 THR N N 72 122.320 117.710 4.610 1
1 883 . 1 1 1 A 76 76 ARG H H 73 9.150 8.842 0.308 1
1 884 . 1 1 1 A 76 76 ARG HA H 73 4.283 4.312 -0.029 1
1 892 . 1 1 1 A 76 76 ARG C C 73 176.574 176.746 -0.172 1
1 893 . 1 1 1 A 76 76 ARG CA C 73 55.858 58.173 -2.315 1
1 894 . 1 1 1 A 76 76 ARG CB C 73 30.930 31.026 -0.096 1
1 897 . 1 1 1 A 76 76 ARG N N 73 127.709 128.121 -0.412 1
1 899 . 1 1 1 A 77 77 LEU H H 74 7.520 7.436 0.084 1
1 900 . 1 1 1 A 77 77 LEU HA H 74 4.480 4.892 -0.412 1
1 910 . 1 1 1 A 77 77 LEU C C 74 174.509 175.214 -0.705 1
1 911 . 1 1 1 A 77 77 LEU CA C 74 54.222 53.178 1.044 1
1 912 . 1 1 1 A 77 77 LEU CB C 74 47.315 46.047 1.268 1
1 916 . 1 1 1 A 77 77 LEU N N 74 117.021 118.082 -1.061 1
1 917 . 1 1 1 A 78 78 ALA H H 75 8.600 8.429 0.171 1
1 918 . 1 1 1 A 78 78 ALA HA H 75 4.999 4.659 0.340 1
1 922 . 1 1 1 A 78 78 ALA C C 75 176.343 177.156 -0.813 1
1 923 . 1 1 1 A 78 78 ALA CA C 75 50.324 51.777 -1.453 1
1 924 . 1 1 1 A 78 78 ALA CB C 75 21.074 22.387 -1.313 1
1 925 . 1 1 1 A 78 78 ALA N N 75 124.663 122.490 2.173 1
1 926 . 1 1 1 A 79 79 GLY H H 76 8.730 8.747 -0.017 1
1 927 . 1 1 1 A 79 79 GLY HA2 H 76 3.706 3.844 -0.138 1
1 928 . 1 1 1 A 79 79 GLY HA3 H 76 3.306 3.844 -0.538 1
1 929 . 1 1 1 A 79 79 GLY C C 76 175.173 174.022 1.151 1
1 930 . 1 1 1 A 79 79 GLY CA C 76 47.520 46.775 0.745 1
1 931 . 1 1 1 A 79 79 GLY N N 76 114.411 110.970 3.441 1
1 932 . 1 1 1 A 80 80 VAL H H 77 8.380 7.771 0.609 1
1 933 . 1 1 1 A 80 80 VAL HA H 77 4.643 4.711 -0.068 1
1 941 . 1 1 1 A 80 80 VAL C C 77 175.208 174.605 0.603 1
1 942 . 1 1 1 A 80 80 VAL CA C 77 59.289 59.826 -0.537 1
1 943 . 1 1 1 A 80 80 VAL CB C 77 34.226 34.559 -0.333 1
1 946 . 1 1 1 A 80 80 VAL N N 77 112.611 116.499 -3.888 1
1 947 . 1 1 1 A 81 81 GLU H H 78 8.415 8.183 0.232 1
1 948 . 1 1 1 A 81 81 GLU HA H 78 4.451 4.678 -0.227 1
1 953 . 1 1 1 A 81 81 GLU C C 78 178.955 177.992 0.963 1
1 954 . 1 1 1 A 81 81 GLU CA C 78 55.631 54.296 1.335 1
1 955 . 1 1 1 A 81 81 GLU CB C 78 30.535 31.305 -0.770 1
1 957 . 1 1 1 A 81 81 GLU N N 78 117.186 119.459 -2.273 1
1 958 . 1 1 1 A 82 82 GLY H H 79 8.834 8.904 -0.070 1
1 959 . 1 1 1 A 82 82 GLY HA2 H 79 3.810 3.844 -0.034 1
1 960 . 1 1 1 A 82 82 GLY HA3 H 79 3.518 3.844 -0.326 1
1 961 . 1 1 1 A 82 82 GLY C C 79 176.446 175.643 0.803 1
1 962 . 1 1 1 A 82 82 GLY CA C 79 47.629 47.308 0.321 1
1 963 . 1 1 1 A 82 82 GLY N N 79 109.312 107.844 1.468 1
1 964 . 1 1 1 A 83 83 GLU H H 80 8.747 8.220 0.527 1
1 965 . 1 1 1 A 83 83 GLU HA H 80 3.972 4.050 -0.078 1
1 970 . 1 1 1 A 83 83 GLU C C 80 179.046 178.725 0.321 1
1 971 . 1 1 1 A 83 83 GLU CA C 80 59.403 59.289 0.114 1
1 972 . 1 1 1 A 83 83 GLU CB C 80 29.005 29.277 -0.272 1
1 974 . 1 1 1 A 83 83 GLU N N 80 119.416 121.693 -2.277 1
1 975 . 1 1 1 A 84 84 GLU H H 81 7.588 8.244 -0.656 1
1 976 . 1 1 1 A 84 84 GLU HA H 81 4.003 4.039 -0.036 1
1 981 . 1 1 1 A 84 84 GLU C C 81 179.682 179.233 0.449 1
1 982 . 1 1 1 A 84 84 GLU CA C 81 59.213 59.150 0.063 1
1 983 . 1 1 1 A 84 84 GLU CB C 81 29.473 29.509 -0.036 1
1 985 . 1 1 1 A 84 84 GLU N N 81 120.110 118.890 1.220 1
1 986 . 1 1 1 A 85 85 ILE H H 82 6.936 7.895 -0.959 1
1 987 . 1 1 1 A 85 85 ILE HA H 82 3.356 3.566 -0.210 1
1 997 . 1 1 1 A 85 85 ILE C C 82 177.308 177.915 -0.607 1
1 998 . 1 1 1 A 85 85 ILE CA C 82 64.055 65.904 -1.849 1
1 999 . 1 1 1 A 85 85 ILE CB C 82 36.836 38.132 -1.296 1
1 1003 . 1 1 1 A 85 85 ILE N N 82 120.268 121.458 -1.190 1
1 1004 . 1 1 1 A 86 86 ALA H H 83 8.292 8.308 -0.016 1
1 1005 . 1 1 1 A 86 86 ALA HA H 83 3.787 4.013 -0.226 1
1 1009 . 1 1 1 A 86 86 ALA C C 83 180.345 179.997 0.348 1
1 1010 . 1 1 1 A 86 86 ALA CA C 83 55.103 55.296 -0.193 1
1 1011 . 1 1 1 A 86 86 ALA CB C 83 17.928 18.166 -0.238 1
1 1012 . 1 1 1 A 86 86 ALA N N 83 121.052 121.419 -0.367 1
1 1013 . 1 1 1 A 87 87 ALA H H 84 7.516 7.893 -0.377 1
1 1014 . 1 1 1 A 87 87 ALA HA H 84 4.006 4.075 -0.069 1
1 1018 . 1 1 1 A 87 87 ALA C C 84 180.272 179.343 0.929 1
1 1019 . 1 1 1 A 87 87 ALA CA C 84 54.765 55.007 -0.242 1
1 1020 . 1 1 1 A 87 87 ALA CB C 84 17.949 18.607 -0.658 1
1 1021 . 1 1 1 A 87 87 ALA N N 84 119.052 120.403 -1.351 1
1 1022 . 1 1 1 A 88 88 LEU H H 85 7.285 7.575 -0.290 1
1 1023 . 1 1 1 A 88 88 LEU HA H 85 4.042 4.175 -0.133 1
1 1033 . 1 1 1 A 88 88 LEU C C 85 174.921 178.750 -3.829 1
1 1034 . 1 1 1 A 88 88 LEU CA C 85 58.290 57.189 1.101 1
1 1035 . 1 1 1 A 88 88 LEU CB C 85 41.610 42.343 -0.733 1
1 1039 . 1 1 1 A 88 88 LEU N N 85 121.211 119.487 1.724 1
1 1040 . 1 1 1 A 89 89 LEU H H 86 8.472 8.259 0.213 1
1 1041 . 1 1 1 A 89 89 LEU HA H 86 3.486 3.818 -0.332 1
1 1051 . 1 1 1 A 89 89 LEU C C 86 178.855 179.396 -0.541 1
1 1052 . 1 1 1 A 89 89 LEU CA C 86 57.476 57.197 0.279 1
1 1053 . 1 1 1 A 89 89 LEU CB C 86 41.478 40.927 0.551 1
1 1057 . 1 1 1 A 89 89 LEU N N 86 118.740 118.343 0.397 1
1 1058 . 1 1 1 A 90 90 GLU H H 87 7.926 8.279 -0.353 1
1 1059 . 1 1 1 A 90 90 GLU HA H 87 3.726 3.939 -0.213 1
1 1064 . 1 1 1 A 90 90 GLU C C 87 178.738 179.118 -0.380 1
1 1065 . 1 1 1 A 90 90 GLU CA C 87 59.511 59.457 0.054 1
1 1066 . 1 1 1 A 90 90 GLU CB C 87 28.855 28.977 -0.122 1
1 1068 . 1 1 1 A 90 90 GLU N N 87 119.669 120.542 -0.873 1
1 1069 . 1 1 1 A 91 91 ARG H H 88 7.069 7.761 -0.692 1
1 1070 . 1 1 1 A 91 91 ARG HA H 88 3.762 4.141 -0.379 1
1 1077 . 1 1 1 A 91 91 ARG C C 88 178.920 179.130 -0.210 1
1 1078 . 1 1 1 A 91 91 ARG CA C 88 59.544 59.530 0.014 1
1 1079 . 1 1 1 A 91 91 ARG CB C 88 29.723 30.436 -0.713 1
1 1082 . 1 1 1 A 91 91 ARG N N 88 119.088 119.475 -0.387 1
1 1083 . 1 1 1 A 92 92 GLU H H 89 8.170 8.354 -0.184 1
1 1084 . 1 1 1 A 92 92 GLU HA H 89 4.021 4.218 -0.197 1
1 1089 . 1 1 1 A 92 92 GLU C C 89 180.250 179.973 0.277 1
1 1090 . 1 1 1 A 92 92 GLU CA C 89 58.661 58.683 -0.022 1
1 1091 . 1 1 1 A 92 92 GLU CB C 89 28.073 29.043 -0.970 1
1 1093 . 1 1 1 A 92 92 GLU N N 89 117.768 119.692 -1.924 1
1 1094 . 1 1 1 A 93 93 ARG H H 90 8.355 7.970 0.385 1
1 1095 . 1 1 1 A 93 93 ARG HA H 90 4.003 3.991 0.012 1
1 1102 . 1 1 1 A 93 93 ARG C C 90 177.592 178.549 -0.957 1
1 1103 . 1 1 1 A 93 93 ARG CA C 90 57.744 58.934 -1.190 1
1 1104 . 1 1 1 A 93 93 ARG CB C 90 30.325 29.987 0.338 1
1 1107 . 1 1 1 A 93 93 ARG N N 90 119.179 118.882 0.297 1
1 1108 . 1 1 1 A 94 94 ARG H H 91 7.232 7.342 -0.110 1
1 1109 . 1 1 1 A 94 94 ARG HA H 91 3.788 3.865 -0.077 1
1 1116 . 1 1 1 A 94 94 ARG C C 91 177.986 178.786 -0.800 1
1 1117 . 1 1 1 A 94 94 ARG CA C 91 58.462 58.898 -0.436 1
1 1118 . 1 1 1 A 94 94 ARG CB C 91 29.565 29.696 -0.131 1
1 1121 . 1 1 1 A 94 94 ARG N N 91 118.441 119.852 -1.411 1
1 1122 . 1 1 1 A 95 95 PHE H H 92 7.048 7.415 -0.367 1
1 1123 . 1 1 1 A 95 95 PHE HA H 92 4.474 4.290 0.184 1
1 1128 . 1 1 1 A 95 95 PHE C C 92 175.728 175.765 -0.037 1
1 1129 . 1 1 1 A 95 95 PHE CA C 92 58.210 59.901 -1.691 1
1 1130 . 1 1 1 A 95 95 PHE CB C 92 39.724 39.677 0.047 1
1 1133 . 1 1 1 A 95 95 PHE N N 92 115.951 117.316 -1.365 1
1 1134 . 1 1 1 A 96 96 ASP H H 93 7.793 8.124 -0.331 1
1 1135 . 1 1 1 A 96 96 ASP HA H 93 4.703 4.860 -0.157 1
1 1138 . 1 1 1 A 96 96 ASP C C 93 179.474 175.950 3.524 1
1 1139 . 1 1 1 A 96 96 ASP CA C 93 53.103 53.427 -0.324 1
1 1140 . 1 1 1 A 96 96 ASP CB C 93 41.634 42.029 -0.395 1
1 1141 . 1 1 1 A 96 96 ASP N N 93 119.328 118.546 0.782 1
1 1142 . 1 1 1 A 97 97 SER H H 94 8.490 8.954 -0.464 1
1 1143 . 1 1 1 A 97 97 SER HA H 94 4.204 4.396 -0.192 1
1 1146 . 1 1 1 A 97 97 SER C C 94 175.549 174.972 0.577 1
1 1147 . 1 1 1 A 97 97 SER CA C 94 60.047 59.618 0.429 1
1 1148 . 1 1 1 A 97 97 SER CB C 94 63.408 62.904 0.504 1
1 1149 . 1 1 1 A 97 97 SER N N 94 118.740 119.992 -1.252 1
1 1150 . 1 1 1 A 98 98 ASP H H 95 8.229 8.188 0.041 1
1 1151 . 1 1 1 A 98 98 ASP HA H 95 4.684 4.528 0.156 1
1 1154 . 1 1 1 A 98 98 ASP C C 95 175.547 176.356 -0.809 1
1 1155 . 1 1 1 A 98 98 ASP CA C 95 54.380 54.727 -0.347 1
1 1156 . 1 1 1 A 98 98 ASP CB C 95 42.267 39.977 2.290 1
1 1157 . 1 1 1 A 98 98 ASP N N 95 121.306 117.756 3.550 1
1 1158 . 1 1 1 A 99 99 LEU H H 96 6.613 7.384 -0.771 1
1 1159 . 1 1 1 A 99 99 LEU HA H 96 4.801 5.110 -0.309 1
1 1169 . 1 1 1 A 99 99 LEU C C 96 176.224 176.530 -0.306 1
1 1170 . 1 1 1 A 99 99 LEU CA C 96 55.691 54.616 1.075 1
1 1171 . 1 1 1 A 99 99 LEU CB C 96 42.272 43.089 -0.817 1
1 1175 . 1 1 1 A 99 99 LEU N N 96 117.774 117.491 0.283 1
1 1176 . 1 1 1 A 100 100 TRP H H 97 9.750 9.499 0.251 1
1 1177 . 1 1 1 A 100 100 TRP HA H 97 4.757 5.378 -0.621 1
1 1186 . 1 1 1 A 100 100 TRP C C 97 176.737 175.854 0.883 1
1 1187 . 1 1 1 A 100 100 TRP CA C 97 55.634 56.333 -0.699 1
1 1188 . 1 1 1 A 100 100 TRP CB C 97 31.794 31.851 -0.057 1
1 1194 . 1 1 1 A 100 100 TRP N N 97 120.649 120.815 -0.166 1
1 1196 . 1 1 1 A 101 101 VAL H H 98 9.096 8.613 0.483 1
1 1197 . 1 1 1 A 101 101 VAL HA H 98 5.018 5.661 -0.643 1
1 1205 . 1 1 1 A 101 101 VAL C C 98 175.816 174.963 0.853 1
1 1206 . 1 1 1 A 101 101 VAL CA C 98 61.998 61.426 0.572 1
1 1207 . 1 1 1 A 101 101 VAL CB C 98 34.180 34.616 -0.436 1
1 1210 . 1 1 1 A 101 101 VAL N N 98 117.960 120.368 -2.408 1
1 1211 . 1 1 1 A 102 102 VAL H H 99 9.113 8.848 0.265 1
1 1212 . 1 1 1 A 102 102 VAL HA H 99 4.546 4.792 -0.246 1
1 1220 . 1 1 1 A 102 102 VAL C C 99 173.388 174.808 -1.420 1
1 1221 . 1 1 1 A 102 102 VAL CA C 99 60.987 61.203 -0.216 1
1 1222 . 1 1 1 A 102 102 VAL CB C 99 34.654 34.995 -0.341 1
1 1225 . 1 1 1 A 102 102 VAL N N 99 129.775 127.321 2.454 1
1 1226 . 1 1 1 A 103 103 GLU H H 100 9.226 8.664 0.562 1
1 1227 . 1 1 1 A 103 103 GLU HA H 100 5.376 4.648 0.728 1
1 1232 . 1 1 1 A 103 103 GLU C C 100 175.058 176.122 -1.064 1
1 1233 . 1 1 1 A 103 103 GLU CA C 100 54.158 55.898 -1.740 1
1 1234 . 1 1 1 A 103 103 GLU CB C 100 31.835 30.027 1.808 1
1 1236 . 1 1 1 A 103 103 GLU N N 100 128.249 126.575 1.674 1
1 1237 . 1 1 1 A 104 104 ILE H H 101 9.141 8.932 0.209 1
1 1238 . 1 1 1 A 104 104 ILE HA H 101 5.021 5.169 -0.148 1
1 1248 . 1 1 1 A 104 104 ILE C C 101 173.727 174.410 -0.683 1
1 1249 . 1 1 1 A 104 104 ILE CA C 101 59.226 59.614 -0.388 1
1 1250 . 1 1 1 A 104 104 ILE CB C 101 42.192 39.930 2.262 1
1 1254 . 1 1 1 A 104 104 ILE N N 101 118.638 120.885 -2.247 1
1 1255 . 1 1 1 A 105 105 GLU H H 102 9.018 9.036 -0.018 1
1 1256 . 1 1 1 A 105 105 GLU HA H 102 4.800 4.978 -0.178 1
1 1261 . 1 1 1 A 105 105 GLU C C 102 174.832 175.487 -0.655 1
1 1262 . 1 1 1 A 105 105 GLU CA C 102 55.362 55.164 0.198 1
1 1263 . 1 1 1 A 105 105 GLU CB C 102 31.160 31.365 -0.205 1
1 1265 . 1 1 1 A 105 105 GLU N N 102 125.842 125.297 0.545 1
1 1266 . 1 1 1 A 106 106 THR H H 103 7.678 8.209 -0.531 1
1 1267 . 1 1 1 A 106 106 THR HA H 103 4.424 4.910 -0.486 1
1 1272 . 1 1 1 A 106 106 THR C C 103 172.175 173.497 -1.322 1
1 1273 . 1 1 1 A 106 106 THR CA C 103 60.772 60.322 0.450 1
1 1274 . 1 1 1 A 106 106 THR CB C 103 67.599 69.963 -2.364 1
1 1276 . 1 1 1 A 106 106 THR N N 103 118.569 119.936 -1.367 1
1 1277 . 1 1 1 A 107 107 ASP H H 104 8.400 8.946 -0.546 1
1 1278 . 1 1 1 A 107 107 ASP HA H 104 4.635 4.599 0.036 1
1 1281 . 1 1 1 A 107 107 ASP C C 104 176.214 176.216 -0.002 1
1 1282 . 1 1 1 A 107 107 ASP CA C 104 55.771 56.057 -0.286 1
1 1283 . 1 1 1 A 107 107 ASP CB C 104 41.463 41.724 -0.261 1
1 1284 . 1 1 1 A 107 107 ASP N N 104 125.388 124.717 0.671 1
1 1285 . 1 1 1 A 108 108 GLU H H 105 7.995 7.482 0.513 1
1 1286 . 1 1 1 A 108 108 GLU HA H 105 4.524 4.781 -0.257 1
1 1291 . 1 1 1 A 108 108 GLU C C 105 175.340 175.733 -0.393 1
1 1292 . 1 1 1 A 108 108 GLU CA C 105 54.564 55.411 -0.847 1
1 1293 . 1 1 1 A 108 108 GLU CB C 105 30.953 31.515 -0.562 1
1 1295 . 1 1 1 A 108 108 GLU N N 105 120.222 114.298 5.924 1
1 1296 . 1 1 1 A 109 109 ILE H H 106 8.389 8.603 -0.214 1
1 1297 . 1 1 1 A 109 109 ILE HA H 106 3.853 4.264 -0.411 1
1 1307 . 1 1 1 A 109 109 ILE C C 106 176.324 177.552 -1.228 1
1 1308 . 1 1 1 A 109 109 ILE CA C 106 60.148 62.196 -2.048 1
1 1309 . 1 1 1 A 109 109 ILE CB C 106 38.950 40.784 -1.834 1
1 1313 . 1 1 1 A 109 109 ILE N N 106 124.088 122.726 1.362 1
1 1314 . 1 1 1 A 110 110 GLY H H 107 8.534 8.571 -0.037 1
1 1315 . 1 1 1 A 110 110 GLY HA2 H 107 3.744 3.647 0.097 1
1 1316 . 1 1 1 A 110 110 GLY HA3 H 107 3.705 3.670 0.035 1
1 1317 . 1 1 1 A 110 110 GLY C C 107 175.021 175.925 -0.904 1
1 1318 . 1 1 1 A 110 110 GLY CA C 107 46.530 47.451 -0.921 1
1 1319 . 1 1 1 A 110 110 GLY N N 107 109.224 109.306 -0.082 1
1 1320 . 1 1 1 A 111 111 THR H H 108 7.892 7.911 -0.019 1
1 1321 . 1 1 1 A 111 111 THR HA H 108 4.255 4.083 0.172 1
1 1326 . 1 1 1 A 111 111 THR C C 108 175.417 175.873 -0.456 1
1 1327 . 1 1 1 A 111 111 THR CA C 108 61.287 65.026 -3.739 1
1 1328 . 1 1 1 A 111 111 THR CB C 108 68.657 68.779 -0.122 1
1 1330 . 1 1 1 A 111 111 THR N N 108 111.278 116.787 -5.509 1
1 1331 . 1 1 1 A 112 112 LEU H H 109 7.950 7.403 0.547 1
1 1332 . 1 1 1 A 112 112 LEU HA H 109 3.887 4.625 -0.738 1
1 1342 . 1 1 1 A 112 112 LEU C C 109 175.715 176.147 -0.432 1
1 1343 . 1 1 1 A 112 112 LEU CA C 109 56.661 54.264 2.397 1
1 1344 . 1 1 1 A 112 112 LEU CB C 109 43.310 42.935 0.375 1
1 1348 . 1 1 1 A 112 112 LEU N N 109 122.017 113.744 8.273 1
1 1349 . 1 1 1 A 113 113 LEU H H 110 7.003 7.216 -0.213 1
1 1350 . 1 1 1 A 113 113 LEU HA H 110 4.327 4.531 -0.204 1
1 1360 . 1 1 1 A 113 113 LEU C C 110 175.563 174.150 1.413 1
1 1361 . 1 1 1 A 113 113 LEU CA C 110 52.377 54.340 -1.963 1
1 1362 . 1 1 1 A 113 113 LEU CB C 110 44.890 44.598 0.292 1
1 1366 . 1 1 1 A 113 113 LEU N N 110 113.184 120.125 -6.941 1
1 1367 . 1 1 1 A 114 114 THR H H 111 9.101 8.806 0.295 1
1 1368 . 1 1 1 A 114 114 THR HA H 111 4.079 4.790 -0.711 1
1 1373 . 1 1 1 A 114 114 THR C C 111 173.117 173.994 -0.877 1
1 1374 . 1 1 1 A 114 114 THR CA C 111 62.838 62.104 0.734 1
1 1375 . 1 1 1 A 114 114 THR CB C 111 68.245 70.242 -1.997 1
1 1377 . 1 1 1 A 114 114 THR N N 111 119.602 123.037 -3.435 1
1 1378 . 1 1 1 A 115 115 LEU H H 112 8.461 8.741 -0.280 1
1 1379 . 1 1 1 A 115 115 LEU HA H 112 4.985 5.366 -0.381 1
1 1389 . 1 1 1 A 115 115 LEU C C 112 178.488 177.287 1.201 1
1 1390 . 1 1 1 A 115 115 LEU CA C 112 52.953 53.589 -0.636 1
1 1391 . 1 1 1 A 115 115 LEU CB C 112 43.316 45.452 -2.136 1
1 1395 . 1 1 1 A 115 115 LEU N N 112 129.372 126.021 3.351 1
1 1396 . 1 1 1 A 116 116 VAL H H 113 8.550 9.038 -0.488 1
1 1397 . 1 1 1 A 116 116 VAL HA H 113 4.141 3.889 0.252 1
1 1405 . 1 1 1 A 116 116 VAL C C 113 175.638 177.316 -1.678 1
1 1406 . 1 1 1 A 116 116 VAL CA C 113 61.559 65.050 -3.491 1
1 1407 . 1 1 1 A 116 116 VAL CB C 113 32.128 31.738 0.390 1
1 1410 . 1 1 1 A 116 116 VAL N N 113 117.300 121.731 -4.431 1
1 1411 . 1 1 1 A 117 117 ASP H H 114 8.095 8.142 -0.047 1
1 1412 . 1 1 1 A 117 117 ASP HA H 114 4.561 4.450 0.111 1
1 1415 . 1 1 1 A 117 117 ASP C C 114 175.610 176.642 -1.032 1
1 1416 . 1 1 1 A 117 117 ASP CA C 114 53.586 57.341 -3.755 1
1 1417 . 1 1 1 A 117 117 ASP CB C 114 41.131 41.326 -0.195 1
1 1418 . 1 1 1 A 117 117 ASP N N 114 121.410 121.796 -0.386 1
1 1419 . 1 1 1 A 118 118 GLN H H 115 8.048 7.794 0.254 1
1 1420 . 1 1 1 A 118 118 GLN HA H 115 4.539 4.545 -0.006 1
1 1427 . 1 1 1 A 118 118 GLN CA C 115 53.464 54.092 -0.628 1
1 1428 . 1 1 1 A 118 118 GLN CB C 115 29.143 28.154 0.989 1
1 1430 . 1 1 1 A 118 118 GLN N N 115 120.387 117.732 2.655 1
1 1432 . 1 1 1 A 119 119 PRO HA H 116 4.314 4.554 -0.240 1
1 1439 . 1 1 1 A 119 119 PRO C C 116 176.819 176.577 0.242 1
1 1440 . 1 1 1 A 119 119 PRO CA C 116 63.073 62.507 0.566 1
1 1441 . 1 1 1 A 119 119 PRO CB C 116 32.117 32.176 -0.059 1
1 1444 . 1 1 1 A 120 120 GLN H H 117 8.404 8.546 -0.142 1
1 1445 . 1 1 1 A 120 120 GLN HA H 117 4.172 4.609 -0.437 1
1 1452 . 1 1 1 A 120 120 GLN C C 117 174.745 176.626 -1.881 1
1 1453 . 1 1 1 A 120 120 GLN CA C 117 55.531 55.594 -0.063 1
1 1454 . 1 1 1 A 120 120 GLN CB C 117 29.529 29.503 0.026 1
1 1456 . 1 1 1 A 120 120 GLN N N 117 121.403 120.340 1.063 1
1 14 . 2 1 1 A 5 5 ARG H H 2 8.281 8.683 -0.402 1
1 15 . 2 1 1 A 5 5 ARG HA H 2 4.126 4.686 -0.560 1
1 22 . 2 1 1 A 5 5 ARG C C 2 176.387 175.807 0.580 1
1 23 . 2 1 1 A 5 5 ARG CA C 2 56.556 56.115 0.441 1
1 24 . 2 1 1 A 5 5 ARG CB C 2 30.698 30.748 -0.050 1
1 27 . 2 1 1 A 5 5 ARG N N 2 123.269 125.992 -2.723 1
1 28 . 2 1 1 A 6 6 LEU H H 3 8.527 8.605 -0.078 1
1 29 . 2 1 1 A 6 6 LEU HA H 3 4.414 4.969 -0.555 1
1 39 . 2 1 1 A 6 6 LEU C C 3 178.040 175.827 2.213 1
1 40 . 2 1 1 A 6 6 LEU CA C 3 54.270 53.472 0.798 1
1 41 . 2 1 1 A 6 6 LEU CB C 3 43.612 45.101 -1.489 1
1 45 . 2 1 1 A 6 6 LEU N N 3 125.588 120.062 5.526 1
1 46 . 2 1 1 A 7 7 LYS H H 4 8.646 8.684 -0.038 1
1 47 . 2 1 1 A 7 7 LYS HA H 4 4.524 4.335 0.189 1
1 56 . 2 1 1 A 7 7 LYS C C 4 178.029 178.332 -0.303 1
1 57 . 2 1 1 A 7 7 LYS CA C 4 57.051 56.204 0.847 1
1 58 . 2 1 1 A 7 7 LYS CB C 4 32.877 33.445 -0.568 1
1 62 . 2 1 1 A 7 7 LYS N N 4 123.765 120.608 3.157 1
1 63 . 2 1 1 A 8 8 SER H H 5 8.316 8.704 -0.388 1
1 64 . 2 1 1 A 8 8 SER HA H 5 3.720 3.962 -0.242 1
1 67 . 2 1 1 A 8 8 SER C C 5 174.858 176.254 -1.396 1
1 68 . 2 1 1 A 8 8 SER CA C 5 63.553 61.851 1.702 1
1 69 . 2 1 1 A 8 8 SER CB C 5 62.382 62.751 -0.369 1
1 70 . 2 1 1 A 8 8 SER N N 5 122.163 116.822 5.341 1
1 71 . 2 1 1 A 9 9 GLU H H 6 8.913 8.023 0.890 1
1 72 . 2 1 1 A 9 9 GLU HA H 6 3.401 3.020 0.381 1
1 77 . 2 1 1 A 9 9 GLU C C 6 177.494 178.392 -0.898 1
1 78 . 2 1 1 A 9 9 GLU CA C 6 59.824 58.584 1.240 1
1 79 . 2 1 1 A 9 9 GLU CB C 6 29.780 28.984 0.796 1
1 81 . 2 1 1 A 9 9 GLU N N 6 118.372 121.689 -3.317 1
1 82 . 2 1 1 A 10 10 MET H H 7 6.642 8.029 -1.387 1
1 83 . 2 1 1 A 10 10 MET HA H 7 4.200 4.091 0.109 1
1 91 . 2 1 1 A 10 10 MET C C 7 178.173 178.203 -0.030 1
1 92 . 2 1 1 A 10 10 MET CA C 7 57.360 58.350 -0.990 1
1 93 . 2 1 1 A 10 10 MET CB C 7 32.761 32.160 0.601 1
1 96 . 2 1 1 A 10 10 MET N N 7 117.318 118.891 -1.573 1
1 97 . 2 1 1 A 11 11 PHE H H 8 8.432 7.918 0.514 1
1 98 . 2 1 1 A 11 11 PHE HA H 8 3.718 4.024 -0.306 1
1 105 . 2 1 1 A 11 11 PHE C C 8 177.603 177.228 0.375 1
1 106 . 2 1 1 A 11 11 PHE CA C 8 61.845 61.522 0.323 1
1 107 . 2 1 1 A 11 11 PHE CB C 8 38.595 39.099 -0.504 1
1 112 . 2 1 1 A 11 11 PHE N N 8 122.099 121.323 0.776 1
1 113 . 2 1 1 A 12 12 VAL H H 9 8.133 8.327 -0.194 1
1 114 . 2 1 1 A 12 12 VAL HA H 9 3.021 3.535 -0.514 1
1 122 . 2 1 1 A 12 12 VAL C C 9 176.668 178.023 -1.355 1
1 123 . 2 1 1 A 12 12 VAL CA C 9 67.353 66.522 0.831 1
1 124 . 2 1 1 A 12 12 VAL CB C 9 31.238 31.477 -0.239 1
1 127 . 2 1 1 A 12 12 VAL N N 9 119.317 118.546 0.771 1
1 128 . 2 1 1 A 13 13 SER H H 10 7.750 7.980 -0.230 1
1 129 . 2 1 1 A 13 13 SER HA H 10 3.905 4.047 -0.142 1
1 132 . 2 1 1 A 13 13 SER C C 10 176.947 176.498 0.449 1
1 133 . 2 1 1 A 13 13 SER CA C 10 61.775 62.022 -0.247 1
1 134 . 2 1 1 A 13 13 SER CB C 10 62.483 62.623 -0.140 1
1 135 . 2 1 1 A 13 13 SER N N 10 114.115 114.894 -0.779 1
1 136 . 2 1 1 A 14 14 ALA H H 11 7.776 7.706 0.070 1
1 137 . 2 1 1 A 14 14 ALA HA H 11 3.860 4.072 -0.212 1
1 141 . 2 1 1 A 14 14 ALA C C 11 179.154 179.841 -0.687 1
1 142 . 2 1 1 A 14 14 ALA CA C 11 54.811 54.793 0.018 1
1 143 . 2 1 1 A 14 14 ALA CB C 11 17.641 18.044 -0.403 1
1 144 . 2 1 1 A 14 14 ALA N N 11 123.170 123.176 -0.006 1
1 145 . 2 1 1 A 15 15 LEU H H 12 7.732 7.888 -0.156 1
1 146 . 2 1 1 A 15 15 LEU HA H 12 3.636 3.877 -0.241 1
1 156 . 2 1 1 A 15 15 LEU C C 12 177.617 178.774 -1.157 1
1 157 . 2 1 1 A 15 15 LEU CA C 12 57.790 57.653 0.137 1
1 158 . 2 1 1 A 15 15 LEU CB C 12 41.352 41.200 0.152 1
1 162 . 2 1 1 A 15 15 LEU N N 12 121.171 118.861 2.310 1
1 163 . 2 1 1 A 16 16 ILE H H 13 8.037 8.062 -0.025 1
1 164 . 2 1 1 A 16 16 ILE HA H 13 3.061 3.495 -0.434 1
1 174 . 2 1 1 A 16 16 ILE C C 13 177.708 178.065 -0.357 1
1 175 . 2 1 1 A 16 16 ILE CA C 13 65.872 65.335 0.537 1
1 176 . 2 1 1 A 16 16 ILE CB C 13 37.704 37.803 -0.099 1
1 180 . 2 1 1 A 16 16 ILE N N 13 117.849 120.190 -2.341 1
1 181 . 2 1 1 A 17 17 ARG H H 14 7.537 7.588 -0.051 1
1 182 . 2 1 1 A 17 17 ARG HA H 14 3.980 4.260 -0.280 1
1 189 . 2 1 1 A 17 17 ARG C C 14 179.876 179.056 0.820 1
1 190 . 2 1 1 A 17 17 ARG CA C 14 59.920 59.046 0.874 1
1 191 . 2 1 1 A 17 17 ARG CB C 14 29.995 29.673 0.322 1
1 194 . 2 1 1 A 17 17 ARG N N 14 117.366 120.268 -2.902 1
1 195 . 2 1 1 A 18 18 ARG H H 15 8.068 7.905 0.163 1
1 196 . 2 1 1 A 18 18 ARG HA H 15 3.868 4.013 -0.145 1
1 203 . 2 1 1 A 18 18 ARG C C 15 176.630 178.742 -2.112 1
1 204 . 2 1 1 A 18 18 ARG CA C 15 59.606 59.368 0.238 1
1 205 . 2 1 1 A 18 18 ARG CB C 15 30.327 30.333 -0.006 1
1 208 . 2 1 1 A 18 18 ARG N N 15 119.713 119.644 0.069 1
1 209 . 2 1 1 A 19 19 VAL H H 16 8.259 7.452 0.807 1
1 210 . 2 1 1 A 19 19 VAL HA H 16 3.296 3.727 -0.431 1
1 218 . 2 1 1 A 19 19 VAL C C 16 177.306 177.992 -0.686 1
1 219 . 2 1 1 A 19 19 VAL CA C 16 66.667 65.287 1.380 1
1 220 . 2 1 1 A 19 19 VAL CB C 16 30.421 31.277 -0.856 1
1 223 . 2 1 1 A 19 19 VAL N N 16 121.385 116.430 4.955 1
1 224 . 2 1 1 A 20 20 PHE H H 17 8.014 7.611 0.403 1
1 225 . 2 1 1 A 20 20 PHE HA H 17 4.222 4.100 0.122 1
1 233 . 2 1 1 A 20 20 PHE C C 17 180.973 177.989 2.984 1
1 234 . 2 1 1 A 20 20 PHE CA C 17 61.988 61.623 0.365 1
1 235 . 2 1 1 A 20 20 PHE CB C 17 38.553 37.772 0.781 1
1 241 . 2 1 1 A 20 20 PHE N N 17 118.811 120.931 -2.120 1
1 242 . 2 1 1 A 21 21 ALA H H 18 8.192 8.205 -0.013 1
1 243 . 2 1 1 A 21 21 ALA HA H 18 4.096 4.039 0.057 1
1 247 . 2 1 1 A 21 21 ALA C C 18 178.425 180.150 -1.725 1
1 248 . 2 1 1 A 21 21 ALA CA C 18 54.716 55.020 -0.304 1
1 249 . 2 1 1 A 21 21 ALA CB C 18 17.752 18.077 -0.325 1
1 250 . 2 1 1 A 21 21 ALA N N 18 122.995 122.042 0.953 1
1 251 . 2 1 1 A 22 22 ALA H H 19 7.256 7.340 -0.084 1
1 252 . 2 1 1 A 22 22 ALA HA H 19 4.356 4.284 0.072 1
1 256 . 2 1 1 A 22 22 ALA C C 19 177.665 177.656 0.009 1
1 257 . 2 1 1 A 22 22 ALA CA C 19 51.629 52.492 -0.863 1
1 258 . 2 1 1 A 22 22 ALA CB C 19 18.554 19.509 -0.955 1
1 259 . 2 1 1 A 22 22 ALA N N 19 118.872 117.713 1.159 1
1 260 . 2 1 1 A 23 23 GLY H H 20 7.774 7.859 -0.085 1
1 261 . 2 1 1 A 23 23 GLY HA2 H 20 4.207 4.017 0.190 1
1 262 . 2 1 1 A 23 23 GLY HA3 H 20 3.762 4.051 -0.289 1
1 263 . 2 1 1 A 23 23 GLY C C 20 174.779 174.990 -0.211 1
1 264 . 2 1 1 A 23 23 GLY CA C 20 45.347 45.134 0.213 1
1 265 . 2 1 1 A 23 23 GLY N N 20 106.718 106.384 0.334 1
1 266 . 2 1 1 A 24 24 GLY H H 21 7.795 7.889 -0.094 1
1 267 . 2 1 1 A 24 24 GLY HA2 H 21 4.538 3.947 0.591 1
1 268 . 2 1 1 A 24 24 GLY HA3 H 21 3.306 4.010 -0.704 1
1 269 . 2 1 1 A 24 24 GLY C C 21 171.187 172.532 -1.345 1
1 270 . 2 1 1 A 24 24 GLY CA C 21 43.665 43.940 -0.275 1
1 271 . 2 1 1 A 24 24 GLY N N 21 108.369 108.211 0.158 1
1 272 . 2 1 1 A 25 25 PHE H H 22 7.340 8.258 -0.918 1
1 273 . 2 1 1 A 25 25 PHE HA H 22 3.784 4.544 -0.760 1
1 280 . 2 1 1 A 25 25 PHE C C 22 172.423 172.975 -0.552 1
1 281 . 2 1 1 A 25 25 PHE CA C 22 56.434 56.505 -0.071 1
1 282 . 2 1 1 A 25 25 PHE CB C 22 42.819 43.041 -0.222 1
1 287 . 2 1 1 A 25 25 PHE N N 22 117.754 120.263 -2.509 1
1 288 . 2 1 1 A 26 26 ALA H H 23 5.579 7.599 -2.020 1
1 289 . 2 1 1 A 26 26 ALA HA H 23 4.943 4.989 -0.046 1
1 293 . 2 1 1 A 26 26 ALA C C 23 173.842 175.299 -1.457 1
1 294 . 2 1 1 A 26 26 ALA CA C 23 50.257 50.981 -0.724 1
1 295 . 2 1 1 A 26 26 ALA CB C 23 25.150 23.362 1.788 1
1 296 . 2 1 1 A 26 26 ALA N N 23 126.477 126.170 0.307 1
1 297 . 2 1 1 A 27 27 ALA H H 24 8.723 8.009 0.714 1
1 298 . 2 1 1 A 27 27 ALA HA H 24 4.330 4.853 -0.523 1
1 302 . 2 1 1 A 27 27 ALA C C 24 175.543 175.673 -0.130 1
1 303 . 2 1 1 A 27 27 ALA CA C 24 51.545 51.928 -0.383 1
1 304 . 2 1 1 A 27 27 ALA CB C 24 22.974 21.982 0.992 1
1 305 . 2 1 1 A 27 27 ALA N N 24 118.178 120.013 -1.835 1
1 306 . 2 1 1 A 28 28 VAL H H 25 8.841 9.059 -0.218 1
1 307 . 2 1 1 A 28 28 VAL HA H 25 3.972 4.351 -0.379 1
1 315 . 2 1 1 A 28 28 VAL C C 25 175.547 174.983 0.564 1
1 316 . 2 1 1 A 28 28 VAL CA C 25 64.153 62.202 1.951 1
1 317 . 2 1 1 A 28 28 VAL CB C 25 31.951 31.996 -0.045 1
1 320 . 2 1 1 A 28 28 VAL N N 25 120.857 124.201 -3.344 1
1 321 . 2 1 1 A 29 29 GLU H H 26 8.595 9.077 -0.482 1
1 322 . 2 1 1 A 29 29 GLU HA H 26 4.275 4.373 -0.098 1
1 327 . 2 1 1 A 29 29 GLU C C 26 176.177 176.314 -0.137 1
1 328 . 2 1 1 A 29 29 GLU CA C 26 57.686 58.342 -0.656 1
1 329 . 2 1 1 A 29 29 GLU CB C 26 30.521 30.544 -0.023 1
1 331 . 2 1 1 A 29 29 GLU N N 26 132.091 129.124 2.967 1
1 332 . 2 1 1 A 30 30 LYS H H 27 8.163 7.373 0.790 1
1 333 . 2 1 1 A 30 30 LYS HA H 27 4.352 4.639 -0.287 1
1 342 . 2 1 1 A 30 30 LYS C C 27 174.232 175.326 -1.094 1
1 343 . 2 1 1 A 30 30 LYS CA C 27 55.370 55.658 -0.288 1
1 344 . 2 1 1 A 30 30 LYS CB C 27 36.138 33.863 2.275 1
1 348 . 2 1 1 A 30 30 LYS N N 27 119.899 119.299 0.600 1
1 349 . 2 1 1 A 31 31 LYS H H 28 8.603 8.528 0.075 1
1 350 . 2 1 1 A 31 31 LYS HA H 28 3.268 4.245 -0.977 1
1 359 . 2 1 1 A 31 31 LYS C C 28 175.170 174.812 0.358 1
1 360 . 2 1 1 A 31 31 LYS CA C 28 56.089 54.216 1.873 1
1 361 . 2 1 1 A 31 31 LYS CB C 28 32.386 35.660 -3.274 1
1 365 . 2 1 1 A 31 31 LYS N N 28 129.067 125.732 3.335 1
1 366 . 2 1 1 A 32 32 GLY H H 29 3.335 6.799 -3.464 1
1 367 . 2 1 1 A 32 32 GLY HA2 H 29 3.652 3.956 -0.304 1
1 368 . 2 1 1 A 32 32 GLY HA3 H 29 2.313 4.016 -1.703 1
1 369 . 2 1 1 A 32 32 GLY C C 29 172.863 173.058 -0.195 1
1 370 . 2 1 1 A 32 32 GLY CA C 29 43.344 44.895 -1.551 1
1 371 . 2 1 1 A 32 32 GLY N N 29 113.639 111.846 1.793 1
1 372 . 2 1 1 A 33 33 ALA H H 30 8.202 8.190 0.012 1
1 373 . 2 1 1 A 33 33 ALA HA H 30 4.173 4.538 -0.365 1
1 377 . 2 1 1 A 33 33 ALA C C 30 181.026 178.138 2.888 1
1 378 . 2 1 1 A 33 33 ALA CA C 30 52.674 51.764 0.910 1
1 379 . 2 1 1 A 33 33 ALA CB C 30 19.020 19.680 -0.660 1
1 380 . 2 1 1 A 33 33 ALA N N 30 121.182 125.676 -4.494 1
1 381 . 2 1 1 A 34 34 GLU H H 31 9.313 9.383 -0.070 1
1 382 . 2 1 1 A 34 34 GLU HA H 31 4.130 4.130 0.000 1
1 387 . 2 1 1 A 34 34 GLU C C 31 177.137 178.596 -1.459 1
1 388 . 2 1 1 A 34 34 GLU CA C 31 61.214 59.189 2.025 1
1 389 . 2 1 1 A 34 34 GLU CB C 31 29.947 30.226 -0.279 1
1 391 . 2 1 1 A 34 34 GLU N N 31 126.206 124.767 1.439 1
1 392 . 2 1 1 A 35 35 ALA H H 32 8.614 8.093 0.521 1
1 393 . 2 1 1 A 35 35 ALA HA H 32 4.377 4.343 0.034 1
1 397 . 2 1 1 A 35 35 ALA C C 32 180.260 177.949 2.311 1
1 398 . 2 1 1 A 35 35 ALA CA C 32 55.118 53.951 1.167 1
1 399 . 2 1 1 A 35 35 ALA CB C 32 18.192 19.261 -1.069 1
1 400 . 2 1 1 A 35 35 ALA N N 32 119.251 121.392 -2.141 1
1 401 . 2 1 1 A 36 36 ALA H H 33 8.467 7.822 0.645 1
1 402 . 2 1 1 A 36 36 ALA HA H 33 4.612 4.396 0.216 1
1 406 . 2 1 1 A 36 36 ALA C C 33 177.468 177.670 -0.202 1
1 407 . 2 1 1 A 36 36 ALA CA C 33 51.190 51.480 -0.290 1
1 408 . 2 1 1 A 36 36 ALA CB C 33 19.451 19.698 -0.247 1
1 409 . 2 1 1 A 36 36 ALA N N 33 120.927 117.655 3.272 1
1 410 . 2 1 1 A 37 37 GLY H H 34 7.445 8.017 -0.572 1
1 411 . 2 1 1 A 37 37 GLY HA2 H 34 4.143 4.139 0.004 1
1 412 . 2 1 1 A 37 37 GLY HA3 H 34 4.010 4.198 -0.188 1
1 413 . 2 1 1 A 37 37 GLY C C 34 174.885 173.393 1.492 1
1 414 . 2 1 1 A 37 37 GLY CA C 34 46.790 45.405 1.385 1
1 415 . 2 1 1 A 37 37 GLY N N 34 105.715 106.767 -1.052 1
1 416 . 2 1 1 A 38 38 ALA H H 35 9.722 8.054 1.668 1
1 417 . 2 1 1 A 38 38 ALA HA H 35 4.053 4.497 -0.444 1
1 421 . 2 1 1 A 38 38 ALA CA C 35 52.676 51.842 0.834 1
1 422 . 2 1 1 A 38 38 ALA CB C 35 20.069 20.125 -0.056 1
1 423 . 2 1 1 A 38 38 ALA N N 35 131.782 122.249 9.533 1
1 424 . 2 1 1 A 39 39 ILE H H 36 7.776 8.447 -0.671 1
1 425 . 2 1 1 A 39 39 ILE HA H 36 4.533 5.040 -0.507 1
1 435 . 2 1 1 A 39 39 ILE C C 36 172.754 174.689 -1.935 1
1 436 . 2 1 1 A 39 39 ILE CA C 36 61.429 60.645 0.784 1
1 437 . 2 1 1 A 39 39 ILE CB C 36 40.275 40.967 -0.692 1
1 441 . 2 1 1 A 39 39 ILE N N 36 119.692 120.902 -1.210 1
1 442 . 2 1 1 A 40 40 PHE H H 37 8.513 9.453 -0.940 1
1 443 . 2 1 1 A 40 40 PHE HA H 37 5.242 5.727 -0.485 1
1 448 . 2 1 1 A 40 40 PHE C C 37 175.559 174.362 1.197 1
1 449 . 2 1 1 A 40 40 PHE CA C 37 56.375 56.621 -0.246 1
1 450 . 2 1 1 A 40 40 PHE CB C 37 41.794 40.771 1.023 1
1 453 . 2 1 1 A 40 40 PHE N N 37 123.003 125.714 -2.711 1
1 454 . 2 1 1 A 41 41 VAL H H 38 8.898 8.983 -0.085 1
1 455 . 2 1 1 A 41 41 VAL HA H 38 4.981 4.915 0.066 1
1 463 . 2 1 1 A 41 41 VAL C C 38 174.233 175.208 -0.975 1
1 464 . 2 1 1 A 41 41 VAL CA C 38 60.287 61.319 -1.032 1
1 465 . 2 1 1 A 41 41 VAL CB C 38 35.122 33.679 1.443 1
1 468 . 2 1 1 A 41 41 VAL N N 38 120.239 123.536 -3.297 1
1 469 . 2 1 1 A 42 42 ARG H H 39 9.399 9.196 0.203 1
1 470 . 2 1 1 A 42 42 ARG HA H 39 5.094 5.516 -0.422 1
1 478 . 2 1 1 A 42 42 ARG C C 39 173.198 174.577 -1.379 1
1 479 . 2 1 1 A 42 42 ARG CA C 39 54.067 55.033 -0.966 1
1 480 . 2 1 1 A 42 42 ARG CB C 39 33.430 32.051 1.379 1
1 483 . 2 1 1 A 42 42 ARG N N 39 129.107 125.736 3.371 1
1 485 . 2 1 1 A 43 43 GLN H H 40 9.402 8.856 0.546 1
1 486 . 2 1 1 A 43 43 GLN HA H 40 5.371 5.340 0.031 1
1 493 . 2 1 1 A 43 43 GLN C C 40 174.278 175.230 -0.952 1
1 494 . 2 1 1 A 43 43 GLN CA C 40 52.778 54.943 -2.165 1
1 495 . 2 1 1 A 43 43 GLN CB C 40 31.703 30.752 0.951 1
1 497 . 2 1 1 A 43 43 GLN N N 40 127.936 125.253 2.683 1
1 499 . 2 1 1 A 44 44 ARG H H 41 8.875 9.062 -0.187 1
1 500 . 2 1 1 A 44 44 ARG HA H 41 4.488 5.016 -0.528 1
1 507 . 2 1 1 A 44 44 ARG C C 41 175.417 175.977 -0.560 1
1 508 . 2 1 1 A 44 44 ARG CA C 41 56.319 56.184 0.135 1
1 509 . 2 1 1 A 44 44 ARG CB C 41 31.231 31.433 -0.202 1
1 512 . 2 1 1 A 44 44 ARG N N 41 127.617 128.864 -1.247 1
1 513 . 2 1 1 A 45 45 LEU H H 42 8.494 8.725 -0.231 1
1 514 . 2 1 1 A 45 45 LEU HA H 42 4.480 4.494 -0.014 1
1 524 . 2 1 1 A 45 45 LEU C C 42 179.893 178.325 1.568 1
1 525 . 2 1 1 A 45 45 LEU CA C 42 53.972 54.989 -1.017 1
1 526 . 2 1 1 A 45 45 LEU CB C 42 42.206 42.300 -0.094 1
1 530 . 2 1 1 A 45 45 LEU N N 42 125.380 127.953 -2.573 1
1 531 . 2 1 1 A 46 46 ARG H H 43 9.223 8.817 0.406 1
1 532 . 2 1 1 A 46 46 ARG HA H 43 3.929 4.067 -0.138 1
1 539 . 2 1 1 A 46 46 ARG C C 43 177.114 177.436 -0.322 1
1 540 . 2 1 1 A 46 46 ARG CA C 43 58.773 58.111 0.662 1
1 541 . 2 1 1 A 46 46 ARG CB C 43 29.688 29.695 -0.007 1
1 544 . 2 1 1 A 46 46 ARG N N 43 121.380 122.140 -0.760 1
1 545 . 2 1 1 A 47 47 ASP H H 44 7.727 7.938 -0.211 1
1 546 . 2 1 1 A 47 47 ASP HA H 44 4.373 4.591 -0.218 1
1 549 . 2 1 1 A 47 47 ASP C C 44 177.125 176.547 0.578 1
1 550 . 2 1 1 A 47 47 ASP CA C 44 53.256 54.266 -1.010 1
1 551 . 2 1 1 A 47 47 ASP CB C 44 39.993 41.190 -1.197 1
1 552 . 2 1 1 A 47 47 ASP N N 44 115.801 118.211 -2.410 1
1 553 . 2 1 1 A 48 48 GLY H H 45 7.878 8.132 -0.254 1
1 554 . 2 1 1 A 48 48 GLY HA2 H 45 4.237 3.954 0.283 1
1 555 . 2 1 1 A 48 48 GLY HA3 H 45 3.531 3.957 -0.426 1
1 556 . 2 1 1 A 48 48 GLY C C 45 175.041 173.739 1.302 1
1 557 . 2 1 1 A 48 48 GLY CA C 45 45.289 45.621 -0.332 1
1 558 . 2 1 1 A 48 48 GLY N N 45 108.005 107.253 0.752 1
1 559 . 2 1 1 A 49 49 ARG H H 46 7.696 7.841 -0.145 1
1 560 . 2 1 1 A 49 49 ARG HA H 46 4.309 4.878 -0.569 1
1 567 . 2 1 1 A 49 49 ARG C C 46 174.199 174.984 -0.785 1
1 568 . 2 1 1 A 49 49 ARG CA C 46 55.909 54.081 1.828 1
1 569 . 2 1 1 A 49 49 ARG CB C 46 31.226 33.590 -2.364 1
1 572 . 2 1 1 A 49 49 ARG N N 46 120.601 119.482 1.119 1
1 573 . 2 1 1 A 50 50 GLU H H 47 8.885 8.518 0.367 1
1 574 . 2 1 1 A 50 50 GLU HA H 47 5.381 5.533 -0.152 1
1 579 . 2 1 1 A 50 50 GLU C C 47 175.590 175.239 0.351 1
1 580 . 2 1 1 A 50 50 GLU CA C 47 55.057 54.780 0.277 1
1 581 . 2 1 1 A 50 50 GLU CB C 47 35.650 34.033 1.617 1
1 583 . 2 1 1 A 50 50 GLU N N 47 116.439 118.852 -2.413 1
1 584 . 2 1 1 A 51 51 ASN H H 48 8.683 8.616 0.067 1
1 585 . 2 1 1 A 51 51 ASN HA H 48 5.153 5.393 -0.240 1
1 590 . 2 1 1 A 51 51 ASN C C 48 173.562 173.888 -0.326 1
1 591 . 2 1 1 A 51 51 ASN CA C 48 50.361 51.643 -1.282 1
1 592 . 2 1 1 A 51 51 ASN CB C 48 41.823 42.375 -0.552 1
1 593 . 2 1 1 A 51 51 ASN N N 48 114.752 117.779 -3.027 1
1 595 . 2 1 1 A 52 52 LEU H H 49 8.847 8.512 0.335 1
1 596 . 2 1 1 A 52 52 LEU HA H 49 5.274 5.135 0.139 1
1 606 . 2 1 1 A 52 52 LEU C C 49 174.213 173.675 0.538 1
1 607 . 2 1 1 A 52 52 LEU CA C 49 52.889 54.297 -1.408 1
1 608 . 2 1 1 A 52 52 LEU CB C 49 46.300 46.222 0.078 1
1 612 . 2 1 1 A 52 52 LEU N N 49 120.365 121.616 -1.251 1
1 613 . 2 1 1 A 53 53 TYR H H 50 9.641 8.813 0.828 1
1 614 . 2 1 1 A 53 53 TYR HA H 50 5.519 5.568 -0.049 1
1 621 . 2 1 1 A 53 53 TYR C C 50 175.473 175.378 0.095 1
1 622 . 2 1 1 A 53 53 TYR CA C 50 55.928 55.726 0.202 1
1 623 . 2 1 1 A 53 53 TYR CB C 50 40.076 43.047 -2.971 1
1 628 . 2 1 1 A 53 53 TYR N N 50 127.507 123.460 4.047 1
1 629 . 2 1 1 A 54 54 GLY H H 51 8.893 8.665 0.228 1
1 630 . 2 1 1 A 54 54 GLY HA2 H 51 4.687 3.452 1.235 1
1 631 . 2 1 1 A 54 54 GLY HA3 H 51 3.127 3.782 -0.655 1
1 632 . 2 1 1 A 54 54 GLY CA C 51 44.040 44.371 -0.331 1
1 633 . 2 1 1 A 54 54 GLY N N 51 108.518 109.487 -0.969 1
1 634 . 2 1 1 A 55 55 PRO HA H 52 3.849 3.197 0.652 1
1 641 . 2 1 1 A 55 55 PRO C C 52 176.695 176.323 0.372 1
1 642 . 2 1 1 A 55 55 PRO CA C 52 63.187 62.046 1.141 1
1 643 . 2 1 1 A 55 55 PRO CB C 52 32.096 31.494 0.602 1
1 646 . 2 1 1 A 56 56 ALA H H 53 7.675 7.953 -0.278 1
1 647 . 2 1 1 A 56 56 ALA HA H 53 4.242 4.824 -0.582 1
1 651 . 2 1 1 A 56 56 ALA CA C 53 49.506 50.005 -0.499 1
1 652 . 2 1 1 A 56 56 ALA CB C 53 18.096 19.266 -1.170 1
1 653 . 2 1 1 A 56 56 ALA N N 53 126.695 123.981 2.714 1
1 654 . 2 1 1 A 57 57 PRO HA H 54 4.186 4.675 -0.489 1
1 661 . 2 1 1 A 57 57 PRO C C 54 179.368 177.007 2.361 1
1 662 . 2 1 1 A 57 57 PRO CA C 54 63.116 62.779 0.337 1
1 663 . 2 1 1 A 57 57 PRO CB C 54 31.747 31.652 0.095 1
1 666 . 2 1 1 A 58 58 GLN H H 55 8.278 8.280 -0.002 1
1 667 . 2 1 1 A 58 58 GLN HA H 55 4.083 4.376 -0.293 1
1 674 . 2 1 1 A 58 58 GLN C C 55 175.368 175.654 -0.286 1
1 675 . 2 1 1 A 58 58 GLN CA C 55 55.635 55.538 0.097 1
1 676 . 2 1 1 A 58 58 GLN CB C 55 29.927 29.201 0.726 1
1 678 . 2 1 1 A 58 58 GLN N N 55 121.313 119.086 2.227 1
1 680 . 2 1 1 A 59 59 SER H H 56 8.182 8.706 -0.524 1
1 681 . 2 1 1 A 59 59 SER HA H 56 4.246 4.703 -0.457 1
1 684 . 2 1 1 A 59 59 SER C C 56 174.075 174.321 -0.246 1
1 685 . 2 1 1 A 59 59 SER CA C 56 57.667 58.968 -1.301 1
1 686 . 2 1 1 A 59 59 SER CB C 56 63.751 63.601 0.150 1
1 687 . 2 1 1 A 59 59 SER N N 56 117.615 118.926 -1.311 1
1 688 . 2 1 1 A 60 60 PHE H H 57 8.100 8.469 -0.369 1
1 689 . 2 1 1 A 60 60 PHE HA H 57 4.493 5.670 -1.177 1
1 696 . 2 1 1 A 60 60 PHE C C 57 175.439 172.240 3.199 1
1 697 . 2 1 1 A 60 60 PHE CA C 57 57.622 55.768 1.854 1
1 698 . 2 1 1 A 60 60 PHE CB C 57 39.519 42.175 -2.656 1
1 703 . 2 1 1 A 60 60 PHE N N 57 121.890 121.416 0.474 1
1 704 . 2 1 1 A 61 61 ALA H H 58 8.234 8.589 -0.355 1
1 705 . 2 1 1 A 61 61 ALA HA H 58 4.165 4.826 -0.661 1
1 709 . 2 1 1 A 61 61 ALA C C 58 179.286 177.115 2.171 1
1 710 . 2 1 1 A 61 61 ALA CA C 58 52.471 50.059 2.412 1
1 711 . 2 1 1 A 61 61 ALA CB C 58 19.444 20.626 -1.182 1
1 712 . 2 1 1 A 61 61 ALA N N 58 124.383 123.880 0.503 1
1 713 . 2 1 1 A 62 62 ASP H H 59 8.017 9.393 -1.376 1
1 714 . 2 1 1 A 62 62 ASP HA H 59 4.412 4.331 0.081 1
1 717 . 2 1 1 A 62 62 ASP C C 59 176.073 174.875 1.198 1
1 718 . 2 1 1 A 62 62 ASP CA C 59 54.360 55.157 -0.797 1
1 719 . 2 1 1 A 62 62 ASP CB C 59 41.213 39.536 1.677 1
1 720 . 2 1 1 A 62 62 ASP N N 59 118.579 124.961 -6.382 1
1 721 . 2 1 1 A 63 63 ASP H H 60 8.096 8.812 -0.716 1
1 722 . 2 1 1 A 63 63 ASP HA H 60 4.346 4.234 0.112 1
1 725 . 2 1 1 A 63 63 ASP C C 60 176.619 175.655 0.964 1
1 726 . 2 1 1 A 63 63 ASP CA C 60 54.714 55.666 -0.952 1
1 727 . 2 1 1 A 63 63 ASP CB C 60 40.801 39.582 1.219 1
1 728 . 2 1 1 A 63 63 ASP N N 60 119.530 111.125 8.405 1
1 729 . 2 1 1 A 64 64 GLU H H 61 8.109 8.147 -0.038 1
1 730 . 2 1 1 A 64 64 GLU HA H 61 4.012 4.091 -0.079 1
1 735 . 2 1 1 A 64 64 GLU C C 61 176.652 178.516 -1.864 1
1 736 . 2 1 1 A 64 64 GLU CA C 61 57.301 59.290 -1.989 1
1 737 . 2 1 1 A 64 64 GLU CB C 61 30.107 29.496 0.611 1
1 739 . 2 1 1 A 64 64 GLU N N 61 120.050 118.523 1.527 1
1 740 . 2 1 1 A 65 65 ASP H H 62 8.062 8.400 -0.338 1
1 741 . 2 1 1 A 65 65 ASP HA H 62 4.369 4.523 -0.154 1
1 744 . 2 1 1 A 65 65 ASP C C 62 177.458 178.267 -0.809 1
1 745 . 2 1 1 A 65 65 ASP CA C 62 54.645 56.113 -1.468 1
1 746 . 2 1 1 A 65 65 ASP CB C 62 40.896 40.600 0.296 1
1 747 . 2 1 1 A 65 65 ASP N N 62 120.211 119.654 0.557 1
1 748 . 2 1 1 A 66 66 ILE H H 63 7.805 7.518 0.287 1
1 749 . 2 1 1 A 66 66 ILE HA H 63 3.708 3.698 0.010 1
1 759 . 2 1 1 A 66 66 ILE C C 63 176.802 177.432 -0.630 1
1 760 . 2 1 1 A 66 66 ILE CA C 63 62.754 64.740 -1.986 1
1 761 . 2 1 1 A 66 66 ILE CB C 63 38.230 37.877 0.353 1
1 765 . 2 1 1 A 66 66 ILE N N 63 121.259 120.283 0.976 1
1 766 . 2 1 1 A 67 67 MET H H 64 7.950 7.817 0.133 1
1 767 . 2 1 1 A 67 67 MET HA H 64 4.229 4.578 -0.349 1
1 775 . 2 1 1 A 67 67 MET C C 64 176.724 176.697 0.027 1
1 776 . 2 1 1 A 67 67 MET CA C 64 55.944 55.215 0.729 1
1 777 . 2 1 1 A 67 67 MET CB C 64 31.826 33.281 -1.455 1
1 780 . 2 1 1 A 67 67 MET N N 64 118.533 117.552 0.981 1
1 781 . 2 1 1 A 68 68 ARG H H 65 7.604 7.559 0.045 1
1 782 . 2 1 1 A 68 68 ARG HA H 65 4.197 4.424 -0.227 1
1 789 . 2 1 1 A 68 68 ARG C C 65 175.530 175.902 -0.372 1
1 790 . 2 1 1 A 68 68 ARG CA C 65 56.028 56.311 -0.283 1
1 791 . 2 1 1 A 68 68 ARG CB C 65 30.760 31.115 -0.355 1
1 794 . 2 1 1 A 68 68 ARG N N 65 118.706 117.005 1.701 1
1 795 . 2 1 1 A 69 69 ALA H H 66 7.634 7.477 0.157 1
1 796 . 2 1 1 A 69 69 ALA HA H 66 4.254 4.835 -0.581 1
1 800 . 2 1 1 A 69 69 ALA C C 66 176.846 176.007 0.839 1
1 801 . 2 1 1 A 69 69 ALA CA C 66 51.905 50.903 1.002 1
1 802 . 2 1 1 A 69 69 ALA CB C 66 20.023 23.311 -3.288 1
1 803 . 2 1 1 A 69 69 ALA N N 66 123.528 119.998 3.530 1
1 804 . 2 1 1 A 70 70 GLU H H 67 8.192 8.480 -0.288 1
1 805 . 2 1 1 A 70 70 GLU HA H 67 4.228 4.387 -0.159 1
1 810 . 2 1 1 A 70 70 GLU C C 67 176.333 176.099 0.234 1
1 811 . 2 1 1 A 70 70 GLU CA C 67 55.928 56.367 -0.439 1
1 812 . 2 1 1 A 70 70 GLU CB C 67 30.769 30.363 0.406 1
1 814 . 2 1 1 A 70 70 GLU N N 67 120.599 119.411 1.188 1
1 815 . 2 1 1 A 71 71 ARG H H 68 8.674 8.468 0.206 1
1 816 . 2 1 1 A 71 71 ARG HA H 68 3.696 4.310 -0.614 1
1 823 . 2 1 1 A 71 71 ARG C C 68 175.422 175.434 -0.012 1
1 824 . 2 1 1 A 71 71 ARG CA C 68 56.964 56.237 0.727 1
1 825 . 2 1 1 A 71 71 ARG CB C 68 30.886 29.766 1.120 1
1 828 . 2 1 1 A 71 71 ARG N N 68 123.533 121.642 1.891 1
1 829 . 2 1 1 A 72 72 ARG H H 69 7.660 8.813 -1.153 1
1 830 . 2 1 1 A 72 72 ARG HA H 69 4.642 4.766 -0.124 1
1 837 . 2 1 1 A 72 72 ARG C C 69 175.051 175.974 -0.923 1
1 838 . 2 1 1 A 72 72 ARG CA C 69 54.297 56.314 -2.017 1
1 839 . 2 1 1 A 72 72 ARG CB C 69 33.555 31.295 2.260 1
1 842 . 2 1 1 A 72 72 ARG N N 69 120.057 126.610 -6.553 1
1 843 . 2 1 1 A 73 73 PHE H H 70 8.714 9.153 -0.439 1
1 844 . 2 1 1 A 73 73 PHE HA H 70 5.020 4.938 0.082 1
1 852 . 2 1 1 A 73 73 PHE C C 70 173.159 174.806 -1.647 1
1 853 . 2 1 1 A 73 73 PHE CA C 70 57.359 57.190 0.169 1
1 854 . 2 1 1 A 73 73 PHE CB C 70 43.426 42.505 0.921 1
1 860 . 2 1 1 A 73 73 PHE N N 70 119.519 124.203 -4.684 1
1 861 . 2 1 1 A 74 74 GLU H H 71 9.404 9.155 0.249 1
1 862 . 2 1 1 A 74 74 GLU HA H 71 4.996 5.073 -0.077 1
1 867 . 2 1 1 A 74 74 GLU C C 71 175.559 174.828 0.731 1
1 868 . 2 1 1 A 74 74 GLU CA C 71 52.975 54.588 -1.613 1
1 869 . 2 1 1 A 74 74 GLU CB C 71 33.399 33.601 -0.202 1
1 871 . 2 1 1 A 74 74 GLU N N 71 117.679 118.250 -0.571 1
1 872 . 2 1 1 A 75 75 THR H H 72 9.801 9.049 0.752 1
1 873 . 2 1 1 A 75 75 THR HA H 72 4.108 4.794 -0.686 1
1 878 . 2 1 1 A 75 75 THR C C 72 175.065 173.965 1.100 1
1 879 . 2 1 1 A 75 75 THR CA C 72 64.296 62.446 1.850 1
1 880 . 2 1 1 A 75 75 THR CB C 72 67.635 69.113 -1.478 1
1 882 . 2 1 1 A 75 75 THR N N 72 122.320 117.797 4.523 1
1 883 . 2 1 1 A 76 76 ARG H H 73 9.150 8.839 0.311 1
1 884 . 2 1 1 A 76 76 ARG HA H 73 4.283 4.365 -0.082 1
1 892 . 2 1 1 A 76 76 ARG C C 73 176.574 176.739 -0.165 1
1 893 . 2 1 1 A 76 76 ARG CA C 73 55.858 58.164 -2.306 1
1 894 . 2 1 1 A 76 76 ARG CB C 73 30.930 31.077 -0.147 1
1 897 . 2 1 1 A 76 76 ARG N N 73 127.709 127.926 -0.217 1
1 899 . 2 1 1 A 77 77 LEU H H 74 7.520 7.395 0.125 1
1 900 . 2 1 1 A 77 77 LEU HA H 74 4.480 4.938 -0.458 1
1 910 . 2 1 1 A 77 77 LEU C C 74 174.509 175.290 -0.781 1
1 911 . 2 1 1 A 77 77 LEU CA C 74 54.222 53.260 0.962 1
1 912 . 2 1 1 A 77 77 LEU CB C 74 47.315 46.049 1.266 1
1 916 . 2 1 1 A 77 77 LEU N N 74 117.021 118.171 -1.150 1
1 917 . 2 1 1 A 78 78 ALA H H 75 8.600 8.419 0.181 1
1 918 . 2 1 1 A 78 78 ALA HA H 75 4.999 4.879 0.120 1
1 922 . 2 1 1 A 78 78 ALA C C 75 176.343 177.094 -0.751 1
1 923 . 2 1 1 A 78 78 ALA CA C 75 50.324 51.773 -1.449 1
1 924 . 2 1 1 A 78 78 ALA CB C 75 21.074 22.048 -0.974 1
1 925 . 2 1 1 A 78 78 ALA N N 75 124.663 122.387 2.276 1
1 926 . 2 1 1 A 79 79 GLY H H 76 8.730 8.802 -0.072 1
1 927 . 2 1 1 A 79 79 GLY HA2 H 76 3.706 3.841 -0.135 1
1 928 . 2 1 1 A 79 79 GLY HA3 H 76 3.306 3.842 -0.536 1
1 929 . 2 1 1 A 79 79 GLY C C 76 175.173 174.073 1.100 1
1 930 . 2 1 1 A 79 79 GLY CA C 76 47.520 46.549 0.971 1
1 931 . 2 1 1 A 79 79 GLY N N 76 114.411 111.048 3.363 1
1 932 . 2 1 1 A 80 80 VAL H H 77 8.380 7.848 0.532 1
1 933 . 2 1 1 A 80 80 VAL HA H 77 4.643 4.506 0.137 1
1 941 . 2 1 1 A 80 80 VAL C C 77 175.208 175.081 0.127 1
1 942 . 2 1 1 A 80 80 VAL CA C 77 59.289 60.146 -0.857 1
1 943 . 2 1 1 A 80 80 VAL CB C 77 34.226 33.819 0.407 1
1 946 . 2 1 1 A 80 80 VAL N N 77 112.611 117.437 -4.826 1
1 947 . 2 1 1 A 81 81 GLU H H 78 8.415 8.456 -0.041 1
1 948 . 2 1 1 A 81 81 GLU HA H 78 4.451 4.648 -0.197 1
1 953 . 2 1 1 A 81 81 GLU C C 78 178.955 177.967 0.988 1
1 954 . 2 1 1 A 81 81 GLU CA C 78 55.631 54.815 0.816 1
1 955 . 2 1 1 A 81 81 GLU CB C 78 30.535 30.800 -0.265 1
1 957 . 2 1 1 A 81 81 GLU N N 78 117.186 120.359 -3.173 1
1 958 . 2 1 1 A 82 82 GLY H H 79 8.834 8.817 0.017 1
1 959 . 2 1 1 A 82 82 GLY HA2 H 79 3.810 3.859 -0.049 1
1 960 . 2 1 1 A 82 82 GLY HA3 H 79 3.518 3.860 -0.342 1
1 961 . 2 1 1 A 82 82 GLY C C 79 176.446 175.731 0.715 1
1 962 . 2 1 1 A 82 82 GLY CA C 79 47.629 47.045 0.584 1
1 963 . 2 1 1 A 82 82 GLY N N 79 109.312 108.286 1.026 1
1 964 . 2 1 1 A 83 83 GLU H H 80 8.747 8.127 0.620 1
1 965 . 2 1 1 A 83 83 GLU HA H 80 3.972 4.084 -0.112 1
1 970 . 2 1 1 A 83 83 GLU C C 80 179.046 179.240 -0.194 1
1 971 . 2 1 1 A 83 83 GLU CA C 80 59.403 59.131 0.272 1
1 972 . 2 1 1 A 83 83 GLU CB C 80 29.005 29.466 -0.461 1
1 974 . 2 1 1 A 83 83 GLU N N 80 119.416 121.281 -1.865 1
1 975 . 2 1 1 A 84 84 GLU H H 81 7.588 7.765 -0.177 1
1 976 . 2 1 1 A 84 84 GLU HA H 81 4.003 4.082 -0.079 1
1 981 . 2 1 1 A 84 84 GLU C C 81 179.682 179.414 0.268 1
1 982 . 2 1 1 A 84 84 GLU CA C 81 59.213 59.111 0.102 1
1 983 . 2 1 1 A 84 84 GLU CB C 81 29.473 29.465 0.008 1
1 985 . 2 1 1 A 84 84 GLU N N 81 120.110 119.604 0.506 1
1 986 . 2 1 1 A 85 85 ILE H H 82 6.936 7.841 -0.905 1
1 987 . 2 1 1 A 85 85 ILE HA H 82 3.356 3.590 -0.234 1
1 997 . 2 1 1 A 85 85 ILE C C 82 177.308 177.854 -0.546 1
1 998 . 2 1 1 A 85 85 ILE CA C 82 64.055 65.892 -1.837 1
1 999 . 2 1 1 A 85 85 ILE CB C 82 36.836 38.294 -1.458 1
1 1003 . 2 1 1 A 85 85 ILE N N 82 120.268 121.294 -1.026 1
1 1004 . 2 1 1 A 86 86 ALA H H 83 8.292 8.332 -0.040 1
1 1005 . 2 1 1 A 86 86 ALA HA H 83 3.787 3.986 -0.199 1
1 1009 . 2 1 1 A 86 86 ALA C C 83 180.345 179.713 0.632 1
1 1010 . 2 1 1 A 86 86 ALA CA C 83 55.103 55.317 -0.214 1
1 1011 . 2 1 1 A 86 86 ALA CB C 83 17.928 18.210 -0.282 1
1 1012 . 2 1 1 A 86 86 ALA N N 83 121.052 121.354 -0.302 1
1 1013 . 2 1 1 A 87 87 ALA H H 84 7.516 7.722 -0.206 1
1 1014 . 2 1 1 A 87 87 ALA HA H 84 4.006 4.226 -0.220 1
1 1018 . 2 1 1 A 87 87 ALA C C 84 180.272 179.312 0.960 1
1 1019 . 2 1 1 A 87 87 ALA CA C 84 54.765 55.096 -0.331 1
1 1020 . 2 1 1 A 87 87 ALA CB C 84 17.949 18.113 -0.164 1
1 1021 . 2 1 1 A 87 87 ALA N N 84 119.052 120.335 -1.283 1
1 1022 . 2 1 1 A 88 88 LEU H H 85 7.285 7.495 -0.210 1
1 1023 . 2 1 1 A 88 88 LEU HA H 85 4.042 4.162 -0.120 1
1 1033 . 2 1 1 A 88 88 LEU C C 85 174.921 178.543 -3.622 1
1 1034 . 2 1 1 A 88 88 LEU CA C 85 58.290 57.189 1.101 1
1 1035 . 2 1 1 A 88 88 LEU CB C 85 41.610 42.434 -0.824 1
1 1039 . 2 1 1 A 88 88 LEU N N 85 121.211 118.964 2.247 1
1 1040 . 2 1 1 A 89 89 LEU H H 86 8.472 8.277 0.195 1
1 1041 . 2 1 1 A 89 89 LEU HA H 86 3.486 3.781 -0.295 1
1 1051 . 2 1 1 A 89 89 LEU C C 86 178.855 179.746 -0.891 1
1 1052 . 2 1 1 A 89 89 LEU CA C 86 57.476 57.576 -0.100 1
1 1053 . 2 1 1 A 89 89 LEU CB C 86 41.478 41.453 0.025 1
1 1057 . 2 1 1 A 89 89 LEU N N 86 118.740 118.325 0.415 1
1 1058 . 2 1 1 A 90 90 GLU H H 87 7.926 8.721 -0.795 1
1 1059 . 2 1 1 A 90 90 GLU HA H 87 3.726 3.949 -0.223 1
1 1064 . 2 1 1 A 90 90 GLU C C 87 178.738 178.709 0.029 1
1 1065 . 2 1 1 A 90 90 GLU CA C 87 59.511 58.914 0.597 1
1 1066 . 2 1 1 A 90 90 GLU CB C 87 28.855 29.020 -0.165 1
1 1068 . 2 1 1 A 90 90 GLU N N 87 119.669 117.735 1.934 1
1 1069 . 2 1 1 A 91 91 ARG H H 88 7.069 7.755 -0.686 1
1 1070 . 2 1 1 A 91 91 ARG HA H 88 3.762 4.120 -0.358 1
1 1077 . 2 1 1 A 91 91 ARG C C 88 178.920 179.213 -0.293 1
1 1078 . 2 1 1 A 91 91 ARG CA C 88 59.544 59.453 0.091 1
1 1079 . 2 1 1 A 91 91 ARG CB C 88 29.723 30.523 -0.800 1
1 1082 . 2 1 1 A 91 91 ARG N N 88 119.088 119.420 -0.332 1
1 1083 . 2 1 1 A 92 92 GLU H H 89 8.170 8.171 -0.001 1
1 1084 . 2 1 1 A 92 92 GLU HA H 89 4.021 4.151 -0.130 1
1 1089 . 2 1 1 A 92 92 GLU C C 89 180.250 179.267 0.983 1
1 1090 . 2 1 1 A 92 92 GLU CA C 89 58.661 58.924 -0.263 1
1 1091 . 2 1 1 A 92 92 GLU CB C 89 28.073 28.698 -0.625 1
1 1093 . 2 1 1 A 92 92 GLU N N 89 117.768 119.471 -1.703 1
1 1094 . 2 1 1 A 93 93 ARG H H 90 8.355 7.909 0.446 1
1 1095 . 2 1 1 A 93 93 ARG HA H 90 4.003 4.221 -0.218 1
1 1102 . 2 1 1 A 93 93 ARG C C 90 177.592 178.527 -0.935 1
1 1103 . 2 1 1 A 93 93 ARG CA C 90 57.744 58.992 -1.248 1
1 1104 . 2 1 1 A 93 93 ARG CB C 90 30.325 29.665 0.660 1
1 1107 . 2 1 1 A 93 93 ARG N N 90 119.179 118.883 0.296 1
1 1108 . 2 1 1 A 94 94 ARG H H 91 7.232 7.581 -0.349 1
1 1109 . 2 1 1 A 94 94 ARG HA H 91 3.788 3.886 -0.098 1
1 1116 . 2 1 1 A 94 94 ARG C C 91 177.986 178.433 -0.447 1
1 1117 . 2 1 1 A 94 94 ARG CA C 91 58.462 58.749 -0.287 1
1 1118 . 2 1 1 A 94 94 ARG CB C 91 29.565 29.482 0.083 1
1 1121 . 2 1 1 A 94 94 ARG N N 91 118.441 119.812 -1.371 1
1 1122 . 2 1 1 A 95 95 PHE H H 92 7.048 7.388 -0.340 1
1 1123 . 2 1 1 A 95 95 PHE HA H 92 4.474 4.369 0.105 1
1 1128 . 2 1 1 A 95 95 PHE C C 92 175.728 175.501 0.227 1
1 1129 . 2 1 1 A 95 95 PHE CA C 92 58.210 59.952 -1.742 1
1 1130 . 2 1 1 A 95 95 PHE CB C 92 39.724 40.056 -0.332 1
1 1133 . 2 1 1 A 95 95 PHE N N 92 115.951 116.865 -0.914 1
1 1134 . 2 1 1 A 96 96 ASP H H 93 7.793 8.150 -0.357 1
1 1135 . 2 1 1 A 96 96 ASP HA H 93 4.703 4.914 -0.211 1
1 1138 . 2 1 1 A 96 96 ASP C C 93 179.474 175.848 3.626 1
1 1139 . 2 1 1 A 96 96 ASP CA C 93 53.103 52.981 0.122 1
1 1140 . 2 1 1 A 96 96 ASP CB C 93 41.634 41.447 0.187 1
1 1141 . 2 1 1 A 96 96 ASP N N 93 119.328 118.434 0.894 1
1 1142 . 2 1 1 A 97 97 SER H H 94 8.490 8.894 -0.404 1
1 1143 . 2 1 1 A 97 97 SER HA H 94 4.204 4.329 -0.125 1
1 1146 . 2 1 1 A 97 97 SER C C 94 175.549 174.954 0.595 1
1 1147 . 2 1 1 A 97 97 SER CA C 94 60.047 60.690 -0.643 1
1 1148 . 2 1 1 A 97 97 SER CB C 94 63.408 62.917 0.491 1
1 1149 . 2 1 1 A 97 97 SER N N 94 118.740 120.074 -1.334 1
1 1150 . 2 1 1 A 98 98 ASP H H 95 8.229 8.215 0.014 1
1 1151 . 2 1 1 A 98 98 ASP HA H 95 4.684 4.556 0.128 1
1 1154 . 2 1 1 A 98 98 ASP C C 95 175.547 176.337 -0.790 1
1 1155 . 2 1 1 A 98 98 ASP CA C 95 54.380 53.703 0.677 1
1 1156 . 2 1 1 A 98 98 ASP CB C 95 42.267 39.653 2.614 1
1 1157 . 2 1 1 A 98 98 ASP N N 95 121.306 117.091 4.215 1
1 1158 . 2 1 1 A 99 99 LEU H H 96 6.613 6.998 -0.385 1
1 1159 . 2 1 1 A 99 99 LEU HA H 96 4.801 5.322 -0.521 1
1 1169 . 2 1 1 A 99 99 LEU C C 96 176.224 176.421 -0.197 1
1 1170 . 2 1 1 A 99 99 LEU CA C 96 55.691 54.292 1.399 1
1 1171 . 2 1 1 A 99 99 LEU CB C 96 42.272 43.162 -0.890 1
1 1175 . 2 1 1 A 99 99 LEU N N 96 117.774 117.311 0.463 1
1 1176 . 2 1 1 A 100 100 TRP H H 97 9.750 9.237 0.513 1
1 1177 . 2 1 1 A 100 100 TRP HA H 97 4.757 5.509 -0.752 1
1 1186 . 2 1 1 A 100 100 TRP C C 97 176.737 175.449 1.288 1
1 1187 . 2 1 1 A 100 100 TRP CA C 97 55.634 55.563 0.071 1
1 1188 . 2 1 1 A 100 100 TRP CB C 97 31.794 31.229 0.565 1
1 1194 . 2 1 1 A 100 100 TRP N N 97 120.649 121.882 -1.233 1
1 1196 . 2 1 1 A 101 101 VAL H H 98 9.096 8.813 0.283 1
1 1197 . 2 1 1 A 101 101 VAL HA H 98 5.018 5.249 -0.231 1
1 1205 . 2 1 1 A 101 101 VAL C C 98 175.816 175.283 0.533 1
1 1206 . 2 1 1 A 101 101 VAL CA C 98 61.998 62.213 -0.215 1
1 1207 . 2 1 1 A 101 101 VAL CB C 98 34.180 32.883 1.297 1
1 1210 . 2 1 1 A 101 101 VAL N N 98 117.960 123.842 -5.882 1
1 1211 . 2 1 1 A 102 102 VAL H H 99 9.113 9.004 0.109 1
1 1212 . 2 1 1 A 102 102 VAL HA H 99 4.546 4.707 -0.161 1
1 1220 . 2 1 1 A 102 102 VAL C C 99 173.388 174.672 -1.284 1
1 1221 . 2 1 1 A 102 102 VAL CA C 99 60.987 61.409 -0.422 1
1 1222 . 2 1 1 A 102 102 VAL CB C 99 34.654 33.665 0.989 1
1 1225 . 2 1 1 A 102 102 VAL N N 99 129.775 128.495 1.280 1
1 1226 . 2 1 1 A 103 103 GLU H H 100 9.226 8.716 0.510 1
1 1227 . 2 1 1 A 103 103 GLU HA H 100 5.376 4.912 0.464 1
1 1232 . 2 1 1 A 103 103 GLU C C 100 175.058 176.060 -1.002 1
1 1233 . 2 1 1 A 103 103 GLU CA C 100 54.158 55.743 -1.585 1
1 1234 . 2 1 1 A 103 103 GLU CB C 100 31.835 30.185 1.650 1
1 1236 . 2 1 1 A 103 103 GLU N N 100 128.249 127.265 0.984 1
1 1237 . 2 1 1 A 104 104 ILE H H 101 9.141 8.729 0.412 1
1 1238 . 2 1 1 A 104 104 ILE HA H 101 5.021 4.969 0.052 1
1 1248 . 2 1 1 A 104 104 ILE C C 101 173.727 174.217 -0.490 1
1 1249 . 2 1 1 A 104 104 ILE CA C 101 59.226 59.602 -0.376 1
1 1250 . 2 1 1 A 104 104 ILE CB C 101 42.192 39.813 2.379 1
1 1254 . 2 1 1 A 104 104 ILE N N 101 118.638 121.171 -2.533 1
1 1255 . 2 1 1 A 105 105 GLU H H 102 9.018 8.969 0.049 1
1 1256 . 2 1 1 A 105 105 GLU HA H 102 4.800 5.127 -0.327 1
1 1261 . 2 1 1 A 105 105 GLU C C 102 174.832 175.214 -0.382 1
1 1262 . 2 1 1 A 105 105 GLU CA C 102 55.362 55.072 0.290 1
1 1263 . 2 1 1 A 105 105 GLU CB C 102 31.160 31.884 -0.724 1
1 1265 . 2 1 1 A 105 105 GLU N N 102 125.842 124.417 1.425 1
1 1266 . 2 1 1 A 106 106 THR H H 103 7.678 8.433 -0.755 1
1 1267 . 2 1 1 A 106 106 THR HA H 103 4.424 4.841 -0.417 1
1 1272 . 2 1 1 A 106 106 THR C C 103 172.175 172.495 -0.320 1
1 1273 . 2 1 1 A 106 106 THR CA C 103 60.772 60.519 0.253 1
1 1274 . 2 1 1 A 106 106 THR CB C 103 67.599 69.525 -1.926 1
1 1276 . 2 1 1 A 106 106 THR N N 103 118.569 120.185 -1.616 1
1 1277 . 2 1 1 A 107 107 ASP H H 104 8.400 8.961 -0.561 1
1 1278 . 2 1 1 A 107 107 ASP HA H 104 4.635 4.679 -0.044 1
1 1281 . 2 1 1 A 107 107 ASP C C 104 176.214 176.136 0.078 1
1 1282 . 2 1 1 A 107 107 ASP CA C 104 55.771 54.820 0.951 1
1 1283 . 2 1 1 A 107 107 ASP CB C 104 41.463 42.062 -0.599 1
1 1284 . 2 1 1 A 107 107 ASP N N 104 125.388 124.796 0.592 1
1 1285 . 2 1 1 A 108 108 GLU H H 105 7.995 7.449 0.546 1
1 1286 . 2 1 1 A 108 108 GLU HA H 105 4.524 4.604 -0.080 1
1 1291 . 2 1 1 A 108 108 GLU C C 105 175.340 175.794 -0.454 1
1 1292 . 2 1 1 A 108 108 GLU CA C 105 54.564 55.292 -0.728 1
1 1293 . 2 1 1 A 108 108 GLU CB C 105 30.953 31.328 -0.375 1
1 1295 . 2 1 1 A 108 108 GLU N N 105 120.222 116.643 3.579 1
1 1296 . 2 1 1 A 109 109 ILE H H 106 8.389 8.856 -0.467 1
1 1297 . 2 1 1 A 109 109 ILE HA H 106 3.853 4.161 -0.308 1
1 1307 . 2 1 1 A 109 109 ILE C C 106 176.324 177.966 -1.642 1
1 1308 . 2 1 1 A 109 109 ILE CA C 106 60.148 62.984 -2.836 1
1 1309 . 2 1 1 A 109 109 ILE CB C 106 38.950 39.362 -0.412 1
1 1313 . 2 1 1 A 109 109 ILE N N 106 124.088 124.194 -0.106 1
1 1314 . 2 1 1 A 110 110 GLY H H 107 8.534 8.556 -0.022 1
1 1315 . 2 1 1 A 110 110 GLY HA2 H 107 3.744 3.678 0.066 1
1 1316 . 2 1 1 A 110 110 GLY HA3 H 107 3.705 3.701 0.004 1
1 1317 . 2 1 1 A 110 110 GLY C C 107 175.021 175.842 -0.821 1
1 1318 . 2 1 1 A 110 110 GLY CA C 107 46.530 47.333 -0.803 1
1 1319 . 2 1 1 A 110 110 GLY N N 107 109.224 109.314 -0.090 1
1 1320 . 2 1 1 A 111 111 THR H H 108 7.892 7.940 -0.048 1
1 1321 . 2 1 1 A 111 111 THR HA H 108 4.255 4.105 0.150 1
1 1326 . 2 1 1 A 111 111 THR C C 108 175.417 175.124 0.293 1
1 1327 . 2 1 1 A 111 111 THR CA C 108 61.287 64.455 -3.168 1
1 1328 . 2 1 1 A 111 111 THR CB C 108 68.657 68.773 -0.116 1
1 1330 . 2 1 1 A 111 111 THR N N 108 111.278 116.758 -5.480 1
1 1331 . 2 1 1 A 112 112 LEU H H 109 7.950 7.445 0.505 1
1 1332 . 2 1 1 A 112 112 LEU HA H 109 3.887 4.566 -0.679 1
1 1342 . 2 1 1 A 112 112 LEU C C 109 175.715 176.006 -0.291 1
1 1343 . 2 1 1 A 112 112 LEU CA C 109 56.661 53.944 2.717 1
1 1344 . 2 1 1 A 112 112 LEU CB C 109 43.310 43.404 -0.094 1
1 1348 . 2 1 1 A 112 112 LEU N N 109 122.017 114.296 7.721 1
1 1349 . 2 1 1 A 113 113 LEU H H 110 7.003 7.141 -0.138 1
1 1350 . 2 1 1 A 113 113 LEU HA H 110 4.327 4.508 -0.181 1
1 1360 . 2 1 1 A 113 113 LEU C C 110 175.563 174.050 1.513 1
1 1361 . 2 1 1 A 113 113 LEU CA C 110 52.377 54.343 -1.966 1
1 1362 . 2 1 1 A 113 113 LEU CB C 110 44.890 45.093 -0.203 1
1 1366 . 2 1 1 A 113 113 LEU N N 110 113.184 120.081 -6.897 1
1 1367 . 2 1 1 A 114 114 THR H H 111 9.101 8.775 0.326 1
1 1368 . 2 1 1 A 114 114 THR HA H 111 4.079 4.822 -0.743 1
1 1373 . 2 1 1 A 114 114 THR C C 111 173.117 173.925 -0.808 1
1 1374 . 2 1 1 A 114 114 THR CA C 111 62.838 62.061 0.777 1
1 1375 . 2 1 1 A 114 114 THR CB C 111 68.245 70.172 -1.927 1
1 1377 . 2 1 1 A 114 114 THR N N 111 119.602 122.776 -3.174 1
1 1378 . 2 1 1 A 115 115 LEU H H 112 8.461 8.749 -0.288 1
1 1379 . 2 1 1 A 115 115 LEU HA H 112 4.985 5.389 -0.404 1
1 1389 . 2 1 1 A 115 115 LEU C C 112 178.488 176.575 1.913 1
1 1390 . 2 1 1 A 115 115 LEU CA C 112 52.953 53.512 -0.559 1
1 1391 . 2 1 1 A 115 115 LEU CB C 112 43.316 45.707 -2.391 1
1 1395 . 2 1 1 A 115 115 LEU N N 112 129.372 126.165 3.207 1
1 1396 . 2 1 1 A 116 116 VAL H H 113 8.550 8.703 -0.153 1
1 1397 . 2 1 1 A 116 116 VAL HA H 113 4.141 4.189 -0.048 1
1 1405 . 2 1 1 A 116 116 VAL C C 113 175.638 177.268 -1.630 1
1 1406 . 2 1 1 A 116 116 VAL CA C 113 61.559 63.363 -1.804 1
1 1407 . 2 1 1 A 116 116 VAL CB C 113 32.128 32.261 -0.133 1
1 1410 . 2 1 1 A 116 116 VAL N N 113 117.300 119.545 -2.245 1
1 1411 . 2 1 1 A 117 117 ASP H H 114 8.095 8.053 0.042 1
1 1412 . 2 1 1 A 117 117 ASP HA H 114 4.561 4.544 0.017 1
1 1415 . 2 1 1 A 117 117 ASP C C 114 175.610 176.476 -0.866 1
1 1416 . 2 1 1 A 117 117 ASP CA C 114 53.586 56.568 -2.982 1
1 1417 . 2 1 1 A 117 117 ASP CB C 114 41.131 41.507 -0.376 1
1 1418 . 2 1 1 A 117 117 ASP N N 114 121.410 121.787 -0.377 1
1 1419 . 2 1 1 A 118 118 GLN H H 115 8.048 7.875 0.173 1
1 1420 . 2 1 1 A 118 118 GLN HA H 115 4.539 4.543 -0.004 1
1 1427 . 2 1 1 A 118 118 GLN CA C 115 53.464 54.309 -0.845 1
1 1428 . 2 1 1 A 118 118 GLN CB C 115 29.143 28.426 0.717 1
1 1430 . 2 1 1 A 118 118 GLN N N 115 120.387 118.559 1.828 1
1 1432 . 2 1 1 A 119 119 PRO HA H 116 4.314 4.611 -0.297 1
1 1439 . 2 1 1 A 119 119 PRO C C 116 176.819 177.807 -0.988 1
1 1440 . 2 1 1 A 119 119 PRO CA C 116 63.073 63.159 -0.086 1
1 1441 . 2 1 1 A 119 119 PRO CB C 116 32.117 31.773 0.344 1
1 1444 . 2 1 1 A 120 120 GLN H H 117 8.404 8.978 -0.574 1
1 1445 . 2 1 1 A 120 120 GLN HA H 117 4.172 4.089 0.083 1
1 1452 . 2 1 1 A 120 120 GLN C C 117 174.745 175.972 -1.227 1
1 1453 . 2 1 1 A 120 120 GLN CA C 117 55.531 57.617 -2.086 1
1 1454 . 2 1 1 A 120 120 GLN CB C 117 29.529 30.001 -0.472 1
1 1456 . 2 1 1 A 120 120 GLN N N 117 121.403 122.030 -0.627 1
1 14 . 3 1 1 A 5 5 ARG H H 2 8.281 8.497 -0.216 1
1 15 . 3 1 1 A 5 5 ARG HA H 2 4.126 4.647 -0.521 1
1 22 . 3 1 1 A 5 5 ARG C C 2 176.387 176.056 0.331 1
1 23 . 3 1 1 A 5 5 ARG CA C 2 56.556 56.175 0.381 1
1 24 . 3 1 1 A 5 5 ARG CB C 2 30.698 30.610 0.088 1
1 27 . 3 1 1 A 5 5 ARG N N 2 123.269 123.469 -0.200 1
1 28 . 3 1 1 A 6 6 LEU H H 3 8.527 8.701 -0.174 1
1 29 . 3 1 1 A 6 6 LEU HA H 3 4.414 4.866 -0.452 1
1 39 . 3 1 1 A 6 6 LEU C C 3 178.040 175.667 2.373 1
1 40 . 3 1 1 A 6 6 LEU CA C 3 54.270 53.569 0.701 1
1 41 . 3 1 1 A 6 6 LEU CB C 3 43.612 44.009 -0.397 1
1 45 . 3 1 1 A 6 6 LEU N N 3 125.588 120.756 4.832 1
1 46 . 3 1 1 A 7 7 LYS H H 4 8.646 8.672 -0.026 1
1 47 . 3 1 1 A 7 7 LYS HA H 4 4.524 4.309 0.215 1
1 56 . 3 1 1 A 7 7 LYS C C 4 178.029 178.277 -0.248 1
1 57 . 3 1 1 A 7 7 LYS CA C 4 57.051 56.199 0.852 1
1 58 . 3 1 1 A 7 7 LYS CB C 4 32.877 33.231 -0.354 1
1 62 . 3 1 1 A 7 7 LYS N N 4 123.765 120.129 3.636 1
1 63 . 3 1 1 A 8 8 SER H H 5 8.316 8.633 -0.317 1
1 64 . 3 1 1 A 8 8 SER HA H 5 3.720 3.803 -0.083 1
1 67 . 3 1 1 A 8 8 SER C C 5 174.858 176.052 -1.194 1
1 68 . 3 1 1 A 8 8 SER CA C 5 63.553 61.971 1.582 1
1 69 . 3 1 1 A 8 8 SER CB C 5 62.382 62.451 -0.069 1
1 70 . 3 1 1 A 8 8 SER N N 5 122.163 116.911 5.252 1
1 71 . 3 1 1 A 9 9 GLU H H 6 8.913 8.200 0.713 1
1 72 . 3 1 1 A 9 9 GLU HA H 6 3.401 3.405 -0.004 1
1 77 . 3 1 1 A 9 9 GLU C C 6 177.494 178.472 -0.978 1
1 78 . 3 1 1 A 9 9 GLU CA C 6 59.824 58.871 0.953 1
1 79 . 3 1 1 A 9 9 GLU CB C 6 29.780 29.095 0.685 1
1 81 . 3 1 1 A 9 9 GLU N N 6 118.372 121.695 -3.323 1
1 82 . 3 1 1 A 10 10 MET H H 7 6.642 7.933 -1.291 1
1 83 . 3 1 1 A 10 10 MET HA H 7 4.200 4.182 0.018 1
1 91 . 3 1 1 A 10 10 MET C C 7 178.173 178.214 -0.041 1
1 92 . 3 1 1 A 10 10 MET CA C 7 57.360 58.102 -0.742 1
1 93 . 3 1 1 A 10 10 MET CB C 7 32.761 32.103 0.658 1
1 96 . 3 1 1 A 10 10 MET N N 7 117.318 119.127 -1.809 1
1 97 . 3 1 1 A 11 11 PHE H H 8 8.432 7.623 0.809 1
1 98 . 3 1 1 A 11 11 PHE HA H 8 3.718 4.148 -0.430 1
1 105 . 3 1 1 A 11 11 PHE C C 8 177.603 177.401 0.202 1
1 106 . 3 1 1 A 11 11 PHE CA C 8 61.845 61.279 0.566 1
1 107 . 3 1 1 A 11 11 PHE CB C 8 38.595 38.953 -0.358 1
1 112 . 3 1 1 A 11 11 PHE N N 8 122.099 120.874 1.225 1
1 113 . 3 1 1 A 12 12 VAL H H 9 8.133 8.090 0.043 1
1 114 . 3 1 1 A 12 12 VAL HA H 9 3.021 3.911 -0.890 1
1 122 . 3 1 1 A 12 12 VAL C C 9 176.668 178.063 -1.395 1
1 123 . 3 1 1 A 12 12 VAL CA C 9 67.353 65.408 1.945 1
1 124 . 3 1 1 A 12 12 VAL CB C 9 31.238 31.638 -0.400 1
1 127 . 3 1 1 A 12 12 VAL N N 9 119.317 119.377 -0.060 1
1 128 . 3 1 1 A 13 13 SER H H 10 7.750 7.715 0.035 1
1 129 . 3 1 1 A 13 13 SER HA H 10 3.905 4.051 -0.146 1
1 132 . 3 1 1 A 13 13 SER C C 10 176.947 177.246 -0.299 1
1 133 . 3 1 1 A 13 13 SER CA C 10 61.775 61.549 0.226 1
1 134 . 3 1 1 A 13 13 SER CB C 10 62.483 62.878 -0.395 1
1 135 . 3 1 1 A 13 13 SER N N 10 114.115 117.085 -2.970 1
1 136 . 3 1 1 A 14 14 ALA H H 11 7.776 7.892 -0.116 1
1 137 . 3 1 1 A 14 14 ALA HA H 11 3.860 4.113 -0.253 1
1 141 . 3 1 1 A 14 14 ALA C C 11 179.154 179.349 -0.195 1
1 142 . 3 1 1 A 14 14 ALA CA C 11 54.811 54.932 -0.121 1
1 143 . 3 1 1 A 14 14 ALA CB C 11 17.641 18.115 -0.474 1
1 144 . 3 1 1 A 14 14 ALA N N 11 123.170 123.098 0.072 1
1 145 . 3 1 1 A 15 15 LEU H H 12 7.732 7.938 -0.206 1
1 146 . 3 1 1 A 15 15 LEU HA H 12 3.636 3.887 -0.251 1
1 156 . 3 1 1 A 15 15 LEU C C 12 177.617 179.138 -1.521 1
1 157 . 3 1 1 A 15 15 LEU CA C 12 57.790 57.564 0.226 1
1 158 . 3 1 1 A 15 15 LEU CB C 12 41.352 41.504 -0.152 1
1 162 . 3 1 1 A 15 15 LEU N N 12 121.171 119.561 1.610 1
1 163 . 3 1 1 A 16 16 ILE H H 13 8.037 7.848 0.189 1
1 164 . 3 1 1 A 16 16 ILE HA H 13 3.061 3.523 -0.462 1
1 174 . 3 1 1 A 16 16 ILE C C 13 177.708 178.249 -0.541 1
1 175 . 3 1 1 A 16 16 ILE CA C 13 65.872 65.278 0.594 1
1 176 . 3 1 1 A 16 16 ILE CB C 13 37.704 37.855 -0.151 1
1 180 . 3 1 1 A 16 16 ILE N N 13 117.849 120.101 -2.252 1
1 181 . 3 1 1 A 17 17 ARG H H 14 7.537 7.657 -0.120 1
1 182 . 3 1 1 A 17 17 ARG HA H 14 3.980 4.198 -0.218 1
1 189 . 3 1 1 A 17 17 ARG C C 14 179.876 179.154 0.722 1
1 190 . 3 1 1 A 17 17 ARG CA C 14 59.920 59.036 0.884 1
1 191 . 3 1 1 A 17 17 ARG CB C 14 29.995 29.621 0.374 1
1 194 . 3 1 1 A 17 17 ARG N N 14 117.366 120.313 -2.947 1
1 195 . 3 1 1 A 18 18 ARG H H 15 8.068 7.753 0.315 1
1 196 . 3 1 1 A 18 18 ARG HA H 15 3.868 4.041 -0.173 1
1 203 . 3 1 1 A 18 18 ARG C C 15 176.630 178.815 -2.185 1
1 204 . 3 1 1 A 18 18 ARG CA C 15 59.606 59.298 0.308 1
1 205 . 3 1 1 A 18 18 ARG CB C 15 30.327 30.040 0.287 1
1 208 . 3 1 1 A 18 18 ARG N N 15 119.713 119.671 0.042 1
1 209 . 3 1 1 A 19 19 VAL H H 16 8.259 7.412 0.847 1
1 210 . 3 1 1 A 19 19 VAL HA H 16 3.296 3.745 -0.449 1
1 218 . 3 1 1 A 19 19 VAL C C 16 177.306 178.088 -0.782 1
1 219 . 3 1 1 A 19 19 VAL CA C 16 66.667 65.309 1.358 1
1 220 . 3 1 1 A 19 19 VAL CB C 16 30.421 31.405 -0.984 1
1 223 . 3 1 1 A 19 19 VAL N N 16 121.385 116.588 4.797 1
1 224 . 3 1 1 A 20 20 PHE H H 17 8.014 7.870 0.144 1
1 225 . 3 1 1 A 20 20 PHE HA H 17 4.222 4.208 0.014 1
1 233 . 3 1 1 A 20 20 PHE C C 17 180.973 178.328 2.645 1
1 234 . 3 1 1 A 20 20 PHE CA C 17 61.988 61.463 0.525 1
1 235 . 3 1 1 A 20 20 PHE CB C 17 38.553 37.730 0.823 1
1 241 . 3 1 1 A 20 20 PHE N N 17 118.811 120.479 -1.668 1
1 242 . 3 1 1 A 21 21 ALA H H 18 8.192 8.011 0.181 1
1 243 . 3 1 1 A 21 21 ALA HA H 18 4.096 4.166 -0.070 1
1 247 . 3 1 1 A 21 21 ALA C C 18 178.425 178.459 -0.034 1
1 248 . 3 1 1 A 21 21 ALA CA C 18 54.716 54.316 0.400 1
1 249 . 3 1 1 A 21 21 ALA CB C 18 17.752 18.326 -0.574 1
1 250 . 3 1 1 A 21 21 ALA N N 18 122.995 121.701 1.294 1
1 251 . 3 1 1 A 22 22 ALA H H 19 7.256 7.658 -0.402 1
1 252 . 3 1 1 A 22 22 ALA HA H 19 4.356 4.371 -0.015 1
1 256 . 3 1 1 A 22 22 ALA C C 19 177.665 177.268 0.397 1
1 257 . 3 1 1 A 22 22 ALA CA C 19 51.629 52.197 -0.568 1
1 258 . 3 1 1 A 22 22 ALA CB C 19 18.554 19.953 -1.399 1
1 259 . 3 1 1 A 22 22 ALA N N 19 118.872 118.489 0.383 1
1 260 . 3 1 1 A 23 23 GLY H H 20 7.774 7.920 -0.146 1
1 261 . 3 1 1 A 23 23 GLY HA2 H 20 4.207 3.983 0.224 1
1 262 . 3 1 1 A 23 23 GLY HA3 H 20 3.762 4.002 -0.240 1
1 263 . 3 1 1 A 23 23 GLY C C 20 174.779 174.605 0.174 1
1 264 . 3 1 1 A 23 23 GLY CA C 20 45.347 45.091 0.256 1
1 265 . 3 1 1 A 23 23 GLY N N 20 106.718 106.509 0.209 1
1 266 . 3 1 1 A 24 24 GLY H H 21 7.795 7.948 -0.153 1
1 267 . 3 1 1 A 24 24 GLY HA2 H 21 4.538 3.948 0.590 1
1 268 . 3 1 1 A 24 24 GLY HA3 H 21 3.306 3.982 -0.676 1
1 269 . 3 1 1 A 24 24 GLY C C 21 171.187 172.096 -0.909 1
1 270 . 3 1 1 A 24 24 GLY CA C 21 43.665 44.170 -0.505 1
1 271 . 3 1 1 A 24 24 GLY N N 21 108.369 108.312 0.057 1
1 272 . 3 1 1 A 25 25 PHE H H 22 7.340 8.523 -1.183 1
1 273 . 3 1 1 A 25 25 PHE HA H 22 3.784 4.436 -0.652 1
1 280 . 3 1 1 A 25 25 PHE C C 22 172.423 173.581 -1.158 1
1 281 . 3 1 1 A 25 25 PHE CA C 22 56.434 55.878 0.556 1
1 282 . 3 1 1 A 25 25 PHE CB C 22 42.819 42.712 0.107 1
1 287 . 3 1 1 A 25 25 PHE N N 22 117.754 120.422 -2.668 1
1 288 . 3 1 1 A 26 26 ALA H H 23 5.579 7.593 -2.014 1
1 289 . 3 1 1 A 26 26 ALA HA H 23 4.943 5.208 -0.265 1
1 293 . 3 1 1 A 26 26 ALA C C 23 173.842 175.304 -1.462 1
1 294 . 3 1 1 A 26 26 ALA CA C 23 50.257 51.072 -0.815 1
1 295 . 3 1 1 A 26 26 ALA CB C 23 25.150 23.455 1.695 1
1 296 . 3 1 1 A 26 26 ALA N N 23 126.477 127.374 -0.897 1
1 297 . 3 1 1 A 27 27 ALA H H 24 8.723 7.964 0.759 1
1 298 . 3 1 1 A 27 27 ALA HA H 24 4.330 4.833 -0.503 1
1 302 . 3 1 1 A 27 27 ALA C C 24 175.543 176.106 -0.563 1
1 303 . 3 1 1 A 27 27 ALA CA C 24 51.545 51.810 -0.265 1
1 304 . 3 1 1 A 27 27 ALA CB C 24 22.974 22.923 0.051 1
1 305 . 3 1 1 A 27 27 ALA N N 24 118.178 119.632 -1.454 1
1 306 . 3 1 1 A 28 28 VAL H H 25 8.841 9.013 -0.172 1
1 307 . 3 1 1 A 28 28 VAL HA H 25 3.972 4.110 -0.138 1
1 315 . 3 1 1 A 28 28 VAL C C 25 175.547 175.364 0.183 1
1 316 . 3 1 1 A 28 28 VAL CA C 25 64.153 63.411 0.742 1
1 317 . 3 1 1 A 28 28 VAL CB C 25 31.951 31.012 0.939 1
1 320 . 3 1 1 A 28 28 VAL N N 25 120.857 123.908 -3.051 1
1 321 . 3 1 1 A 29 29 GLU H H 26 8.595 8.932 -0.337 1
1 322 . 3 1 1 A 29 29 GLU HA H 26 4.275 4.355 -0.080 1
1 327 . 3 1 1 A 29 29 GLU C C 26 176.177 176.202 -0.025 1
1 328 . 3 1 1 A 29 29 GLU CA C 26 57.686 58.569 -0.883 1
1 329 . 3 1 1 A 29 29 GLU CB C 26 30.521 30.776 -0.255 1
1 331 . 3 1 1 A 29 29 GLU N N 26 132.091 128.000 4.091 1
1 332 . 3 1 1 A 30 30 LYS H H 27 8.163 7.738 0.425 1
1 333 . 3 1 1 A 30 30 LYS HA H 27 4.352 4.882 -0.530 1
1 342 . 3 1 1 A 30 30 LYS C C 27 174.232 174.671 -0.439 1
1 343 . 3 1 1 A 30 30 LYS CA C 27 55.370 54.684 0.686 1
1 344 . 3 1 1 A 30 30 LYS CB C 27 36.138 35.568 0.570 1
1 348 . 3 1 1 A 30 30 LYS N N 27 119.899 119.089 0.810 1
1 349 . 3 1 1 A 31 31 LYS H H 28 8.603 8.600 0.003 1
1 350 . 3 1 1 A 31 31 LYS HA H 28 3.268 4.102 -0.834 1
1 359 . 3 1 1 A 31 31 LYS C C 28 175.170 174.672 0.498 1
1 360 . 3 1 1 A 31 31 LYS CA C 28 56.089 54.201 1.888 1
1 361 . 3 1 1 A 31 31 LYS CB C 28 32.386 35.609 -3.223 1
1 365 . 3 1 1 A 31 31 LYS N N 28 129.067 125.687 3.380 1
1 366 . 3 1 1 A 32 32 GLY H H 29 3.335 6.872 -3.537 1
1 367 . 3 1 1 A 32 32 GLY HA2 H 29 3.652 3.875 -0.223 1
1 368 . 3 1 1 A 32 32 GLY HA3 H 29 2.313 3.895 -1.582 1
1 369 . 3 1 1 A 32 32 GLY C C 29 172.863 173.196 -0.333 1
1 370 . 3 1 1 A 32 32 GLY CA C 29 43.344 44.085 -0.741 1
1 371 . 3 1 1 A 32 32 GLY N N 29 113.639 112.209 1.430 1
1 372 . 3 1 1 A 33 33 ALA H H 30 8.202 8.034 0.168 1
1 373 . 3 1 1 A 33 33 ALA HA H 30 4.173 4.428 -0.255 1
1 377 . 3 1 1 A 33 33 ALA C C 30 181.026 178.742 2.284 1
1 378 . 3 1 1 A 33 33 ALA CA C 30 52.674 52.491 0.183 1
1 379 . 3 1 1 A 33 33 ALA CB C 30 19.020 19.366 -0.346 1
1 380 . 3 1 1 A 33 33 ALA N N 30 121.182 124.684 -3.502 1
1 381 . 3 1 1 A 34 34 GLU H H 31 9.313 8.902 0.411 1
1 382 . 3 1 1 A 34 34 GLU HA H 31 4.130 4.328 -0.198 1
1 387 . 3 1 1 A 34 34 GLU C C 31 177.137 178.488 -1.351 1
1 388 . 3 1 1 A 34 34 GLU CA C 31 61.214 59.502 1.712 1
1 389 . 3 1 1 A 34 34 GLU CB C 31 29.947 29.653 0.294 1
1 391 . 3 1 1 A 34 34 GLU N N 31 126.206 124.565 1.641 1
1 392 . 3 1 1 A 35 35 ALA H H 32 8.614 8.037 0.577 1
1 393 . 3 1 1 A 35 35 ALA HA H 32 4.377 4.344 0.033 1
1 397 . 3 1 1 A 35 35 ALA C C 32 180.260 178.849 1.411 1
1 398 . 3 1 1 A 35 35 ALA CA C 32 55.118 54.180 0.938 1
1 399 . 3 1 1 A 35 35 ALA CB C 32 18.192 19.571 -1.379 1
1 400 . 3 1 1 A 35 35 ALA N N 32 119.251 121.606 -2.355 1
1 401 . 3 1 1 A 36 36 ALA H H 33 8.467 7.776 0.691 1
1 402 . 3 1 1 A 36 36 ALA HA H 33 4.612 4.360 0.252 1
1 406 . 3 1 1 A 36 36 ALA C C 33 177.468 177.588 -0.120 1
1 407 . 3 1 1 A 36 36 ALA CA C 33 51.190 51.489 -0.299 1
1 408 . 3 1 1 A 36 36 ALA CB C 33 19.451 19.557 -0.106 1
1 409 . 3 1 1 A 36 36 ALA N N 33 120.927 117.845 3.082 1
1 410 . 3 1 1 A 37 37 GLY H H 34 7.445 7.709 -0.264 1
1 411 . 3 1 1 A 37 37 GLY HA2 H 34 4.143 4.118 0.025 1
1 412 . 3 1 1 A 37 37 GLY HA3 H 34 4.010 4.302 -0.292 1
1 413 . 3 1 1 A 37 37 GLY C C 34 174.885 173.353 1.532 1
1 414 . 3 1 1 A 37 37 GLY CA C 34 46.790 45.517 1.273 1
1 415 . 3 1 1 A 37 37 GLY N N 34 105.715 106.775 -1.060 1
1 416 . 3 1 1 A 38 38 ALA H H 35 9.722 8.122 1.600 1
1 417 . 3 1 1 A 38 38 ALA HA H 35 4.053 4.256 -0.203 1
1 421 . 3 1 1 A 38 38 ALA CA C 35 52.676 52.104 0.572 1
1 422 . 3 1 1 A 38 38 ALA CB C 35 20.069 19.638 0.431 1
1 423 . 3 1 1 A 38 38 ALA N N 35 131.782 122.404 9.378 1
1 424 . 3 1 1 A 39 39 ILE H H 36 7.776 8.324 -0.548 1
1 425 . 3 1 1 A 39 39 ILE HA H 36 4.533 5.079 -0.546 1
1 435 . 3 1 1 A 39 39 ILE C C 36 172.754 174.832 -2.078 1
1 436 . 3 1 1 A 39 39 ILE CA C 36 61.429 60.244 1.185 1
1 437 . 3 1 1 A 39 39 ILE CB C 36 40.275 40.667 -0.392 1
1 441 . 3 1 1 A 39 39 ILE N N 36 119.692 120.134 -0.442 1
1 442 . 3 1 1 A 40 40 PHE H H 37 8.513 9.327 -0.814 1
1 443 . 3 1 1 A 40 40 PHE HA H 37 5.242 5.705 -0.463 1
1 448 . 3 1 1 A 40 40 PHE C C 37 175.559 174.644 0.915 1
1 449 . 3 1 1 A 40 40 PHE CA C 37 56.375 56.535 -0.160 1
1 450 . 3 1 1 A 40 40 PHE CB C 37 41.794 41.151 0.643 1
1 453 . 3 1 1 A 40 40 PHE N N 37 123.003 125.799 -2.796 1
1 454 . 3 1 1 A 41 41 VAL H H 38 8.898 9.318 -0.420 1
1 455 . 3 1 1 A 41 41 VAL HA H 38 4.981 5.158 -0.177 1
1 463 . 3 1 1 A 41 41 VAL C C 38 174.233 175.454 -1.221 1
1 464 . 3 1 1 A 41 41 VAL CA C 38 60.287 61.199 -0.912 1
1 465 . 3 1 1 A 41 41 VAL CB C 38 35.122 34.090 1.032 1
1 468 . 3 1 1 A 41 41 VAL N N 38 120.239 123.353 -3.114 1
1 469 . 3 1 1 A 42 42 ARG H H 39 9.399 8.782 0.617 1
1 470 . 3 1 1 A 42 42 ARG HA H 39 5.094 5.321 -0.227 1
1 478 . 3 1 1 A 42 42 ARG C C 39 173.198 174.702 -1.504 1
1 479 . 3 1 1 A 42 42 ARG CA C 39 54.067 55.194 -1.127 1
1 480 . 3 1 1 A 42 42 ARG CB C 39 33.430 32.061 1.369 1
1 483 . 3 1 1 A 42 42 ARG N N 39 129.107 126.026 3.081 1
1 485 . 3 1 1 A 43 43 GLN H H 40 9.402 8.791 0.611 1
1 486 . 3 1 1 A 43 43 GLN HA H 40 5.371 4.839 0.532 1
1 493 . 3 1 1 A 43 43 GLN C C 40 174.278 174.972 -0.694 1
1 494 . 3 1 1 A 43 43 GLN CA C 40 52.778 54.731 -1.953 1
1 495 . 3 1 1 A 43 43 GLN CB C 40 31.703 30.392 1.311 1
1 497 . 3 1 1 A 43 43 GLN N N 40 127.936 123.936 4.000 1
1 499 . 3 1 1 A 44 44 ARG H H 41 8.875 8.935 -0.060 1
1 500 . 3 1 1 A 44 44 ARG HA H 41 4.488 5.006 -0.518 1
1 507 . 3 1 1 A 44 44 ARG C C 41 175.417 175.835 -0.418 1
1 508 . 3 1 1 A 44 44 ARG CA C 41 56.319 55.935 0.384 1
1 509 . 3 1 1 A 44 44 ARG CB C 41 31.231 31.539 -0.308 1
1 512 . 3 1 1 A 44 44 ARG N N 41 127.617 129.179 -1.562 1
1 513 . 3 1 1 A 45 45 LEU H H 42 8.494 8.673 -0.179 1
1 514 . 3 1 1 A 45 45 LEU HA H 42 4.480 4.503 -0.023 1
1 524 . 3 1 1 A 45 45 LEU C C 42 179.893 178.236 1.657 1
1 525 . 3 1 1 A 45 45 LEU CA C 42 53.972 54.661 -0.689 1
1 526 . 3 1 1 A 45 45 LEU CB C 42 42.206 42.255 -0.049 1
1 530 . 3 1 1 A 45 45 LEU N N 42 125.380 128.171 -2.791 1
1 531 . 3 1 1 A 46 46 ARG H H 43 9.223 8.884 0.339 1
1 532 . 3 1 1 A 46 46 ARG HA H 43 3.929 4.060 -0.131 1
1 539 . 3 1 1 A 46 46 ARG C C 43 177.114 177.478 -0.364 1
1 540 . 3 1 1 A 46 46 ARG CA C 43 58.773 58.099 0.674 1
1 541 . 3 1 1 A 46 46 ARG CB C 43 29.688 29.787 -0.099 1
1 544 . 3 1 1 A 46 46 ARG N N 43 121.380 122.012 -0.632 1
1 545 . 3 1 1 A 47 47 ASP H H 44 7.727 7.971 -0.244 1
1 546 . 3 1 1 A 47 47 ASP HA H 44 4.373 4.567 -0.194 1
1 549 . 3 1 1 A 47 47 ASP C C 44 177.125 176.622 0.503 1
1 550 . 3 1 1 A 47 47 ASP CA C 44 53.256 54.128 -0.872 1
1 551 . 3 1 1 A 47 47 ASP CB C 44 39.993 41.097 -1.104 1
1 552 . 3 1 1 A 47 47 ASP N N 44 115.801 118.330 -2.529 1
1 553 . 3 1 1 A 48 48 GLY H H 45 7.878 8.406 -0.528 1
1 554 . 3 1 1 A 48 48 GLY HA2 H 45 4.237 3.914 0.323 1
1 555 . 3 1 1 A 48 48 GLY HA3 H 45 3.531 3.915 -0.384 1
1 556 . 3 1 1 A 48 48 GLY C C 45 175.041 173.647 1.394 1
1 557 . 3 1 1 A 48 48 GLY CA C 45 45.289 46.027 -0.738 1
1 558 . 3 1 1 A 48 48 GLY N N 45 108.005 109.471 -1.466 1
1 559 . 3 1 1 A 49 49 ARG H H 46 7.696 7.865 -0.169 1
1 560 . 3 1 1 A 49 49 ARG HA H 46 4.309 4.959 -0.650 1
1 567 . 3 1 1 A 49 49 ARG C C 46 174.199 174.888 -0.689 1
1 568 . 3 1 1 A 49 49 ARG CA C 46 55.909 54.045 1.864 1
1 569 . 3 1 1 A 49 49 ARG CB C 46 31.226 33.905 -2.679 1
1 572 . 3 1 1 A 49 49 ARG N N 46 120.601 119.325 1.276 1
1 573 . 3 1 1 A 50 50 GLU H H 47 8.885 8.746 0.139 1
1 574 . 3 1 1 A 50 50 GLU HA H 47 5.381 5.543 -0.162 1
1 579 . 3 1 1 A 50 50 GLU C C 47 175.590 175.094 0.496 1
1 580 . 3 1 1 A 50 50 GLU CA C 47 55.057 54.637 0.420 1
1 581 . 3 1 1 A 50 50 GLU CB C 47 35.650 34.140 1.510 1
1 583 . 3 1 1 A 50 50 GLU N N 47 116.439 119.175 -2.736 1
1 584 . 3 1 1 A 51 51 ASN H H 48 8.683 8.671 0.012 1
1 585 . 3 1 1 A 51 51 ASN HA H 48 5.153 5.376 -0.223 1
1 590 . 3 1 1 A 51 51 ASN C C 48 173.562 173.829 -0.267 1
1 591 . 3 1 1 A 51 51 ASN CA C 48 50.361 51.742 -1.381 1
1 592 . 3 1 1 A 51 51 ASN CB C 48 41.823 41.583 0.240 1
1 593 . 3 1 1 A 51 51 ASN N N 48 114.752 119.014 -4.262 1
1 595 . 3 1 1 A 52 52 LEU H H 49 8.847 8.461 0.386 1
1 596 . 3 1 1 A 52 52 LEU HA H 49 5.274 5.009 0.265 1
1 606 . 3 1 1 A 52 52 LEU C C 49 174.213 173.361 0.852 1
1 607 . 3 1 1 A 52 52 LEU CA C 49 52.889 54.166 -1.277 1
1 608 . 3 1 1 A 52 52 LEU CB C 49 46.300 46.090 0.210 1
1 612 . 3 1 1 A 52 52 LEU N N 49 120.365 122.225 -1.860 1
1 613 . 3 1 1 A 53 53 TYR H H 50 9.641 8.985 0.656 1
1 614 . 3 1 1 A 53 53 TYR HA H 50 5.519 5.716 -0.197 1
1 621 . 3 1 1 A 53 53 TYR C C 50 175.473 175.403 0.070 1
1 622 . 3 1 1 A 53 53 TYR CA C 50 55.928 55.894 0.034 1
1 623 . 3 1 1 A 53 53 TYR CB C 50 40.076 41.107 -1.031 1
1 628 . 3 1 1 A 53 53 TYR N N 50 127.507 124.829 2.678 1
1 629 . 3 1 1 A 54 54 GLY H H 51 8.893 8.833 0.060 1
1 630 . 3 1 1 A 54 54 GLY HA2 H 51 4.687 3.419 1.268 1
1 631 . 3 1 1 A 54 54 GLY HA3 H 51 3.127 3.892 -0.765 1
1 632 . 3 1 1 A 54 54 GLY CA C 51 44.040 43.367 0.673 1
1 633 . 3 1 1 A 54 54 GLY N N 51 108.518 112.818 -4.300 1
1 634 . 3 1 1 A 55 55 PRO HA H 52 3.849 4.188 -0.339 1
1 641 . 3 1 1 A 55 55 PRO C C 52 176.695 176.693 0.002 1
1 642 . 3 1 1 A 55 55 PRO CA C 52 63.187 62.161 1.026 1
1 643 . 3 1 1 A 55 55 PRO CB C 52 32.096 31.342 0.754 1
1 646 . 3 1 1 A 56 56 ALA H H 53 7.675 7.809 -0.134 1
1 647 . 3 1 1 A 56 56 ALA HA H 53 4.242 4.432 -0.190 1
1 651 . 3 1 1 A 56 56 ALA CA C 53 49.506 50.942 -1.436 1
1 652 . 3 1 1 A 56 56 ALA CB C 53 18.096 17.711 0.385 1
1 653 . 3 1 1 A 56 56 ALA N N 53 126.695 125.227 1.468 1
1 654 . 3 1 1 A 57 57 PRO HA H 54 4.186 4.789 -0.603 1
1 661 . 3 1 1 A 57 57 PRO C C 54 179.368 175.720 3.648 1
1 662 . 3 1 1 A 57 57 PRO CA C 54 63.116 62.275 0.841 1
1 663 . 3 1 1 A 57 57 PRO CB C 54 31.747 29.083 2.664 1
1 666 . 3 1 1 A 58 58 GLN H H 55 8.278 8.609 -0.331 1
1 667 . 3 1 1 A 58 58 GLN HA H 55 4.083 4.455 -0.372 1
1 674 . 3 1 1 A 58 58 GLN C C 55 175.368 175.237 0.131 1
1 675 . 3 1 1 A 58 58 GLN CA C 55 55.635 55.268 0.367 1
1 676 . 3 1 1 A 58 58 GLN CB C 55 29.927 29.727 0.200 1
1 678 . 3 1 1 A 58 58 GLN N N 55 121.313 123.198 -1.885 1
1 680 . 3 1 1 A 59 59 SER H H 56 8.182 8.603 -0.421 1
1 681 . 3 1 1 A 59 59 SER HA H 56 4.246 4.357 -0.111 1
1 684 . 3 1 1 A 59 59 SER C C 56 174.075 173.533 0.542 1
1 685 . 3 1 1 A 59 59 SER CA C 56 57.667 57.386 0.281 1
1 686 . 3 1 1 A 59 59 SER CB C 56 63.751 61.654 2.097 1
1 687 . 3 1 1 A 59 59 SER N N 56 117.615 119.479 -1.864 1
1 688 . 3 1 1 A 60 60 PHE H H 57 8.100 7.637 0.463 1
1 689 . 3 1 1 A 60 60 PHE HA H 57 4.493 5.040 -0.547 1
1 696 . 3 1 1 A 60 60 PHE C C 57 175.439 174.320 1.119 1
1 697 . 3 1 1 A 60 60 PHE CA C 57 57.622 56.544 1.078 1
1 698 . 3 1 1 A 60 60 PHE CB C 57 39.519 38.940 0.579 1
1 703 . 3 1 1 A 60 60 PHE N N 57 121.890 122.221 -0.331 1
1 704 . 3 1 1 A 61 61 ALA H H 58 8.234 8.519 -0.285 1
1 705 . 3 1 1 A 61 61 ALA HA H 58 4.165 4.246 -0.081 1
1 709 . 3 1 1 A 61 61 ALA C C 58 179.286 177.840 1.446 1
1 710 . 3 1 1 A 61 61 ALA CA C 58 52.471 52.940 -0.469 1
1 711 . 3 1 1 A 61 61 ALA CB C 58 19.444 18.524 0.920 1
1 712 . 3 1 1 A 61 61 ALA N N 58 124.383 128.279 -3.896 1
1 713 . 3 1 1 A 62 62 ASP H H 59 8.017 9.249 -1.232 1
1 714 . 3 1 1 A 62 62 ASP HA H 59 4.412 4.362 0.050 1
1 717 . 3 1 1 A 62 62 ASP C C 59 176.073 174.830 1.243 1
1 718 . 3 1 1 A 62 62 ASP CA C 59 54.360 55.124 -0.764 1
1 719 . 3 1 1 A 62 62 ASP CB C 59 41.213 39.558 1.655 1
1 720 . 3 1 1 A 62 62 ASP N N 59 118.579 124.839 -6.260 1
1 721 . 3 1 1 A 63 63 ASP H H 60 8.096 8.411 -0.315 1
1 722 . 3 1 1 A 63 63 ASP HA H 60 4.346 4.409 -0.063 1
1 725 . 3 1 1 A 63 63 ASP C C 60 176.619 175.784 0.835 1
1 726 . 3 1 1 A 63 63 ASP CA C 60 54.714 55.793 -1.079 1
1 727 . 3 1 1 A 63 63 ASP CB C 60 40.801 38.972 1.829 1
1 728 . 3 1 1 A 63 63 ASP N N 60 119.530 110.699 8.831 1
1 729 . 3 1 1 A 64 64 GLU H H 61 8.109 7.767 0.342 1
1 730 . 3 1 1 A 64 64 GLU HA H 61 4.012 4.146 -0.134 1
1 735 . 3 1 1 A 64 64 GLU C C 61 176.652 178.540 -1.888 1
1 736 . 3 1 1 A 64 64 GLU CA C 61 57.301 59.267 -1.966 1
1 737 . 3 1 1 A 64 64 GLU CB C 61 30.107 29.460 0.647 1
1 739 . 3 1 1 A 64 64 GLU N N 61 120.050 117.760 2.290 1
1 740 . 3 1 1 A 65 65 ASP H H 62 8.062 8.428 -0.366 1
1 741 . 3 1 1 A 65 65 ASP HA H 62 4.369 4.416 -0.047 1
1 744 . 3 1 1 A 65 65 ASP C C 62 177.458 178.333 -0.875 1
1 745 . 3 1 1 A 65 65 ASP CA C 62 54.645 56.290 -1.645 1
1 746 . 3 1 1 A 65 65 ASP CB C 62 40.896 40.616 0.280 1
1 747 . 3 1 1 A 65 65 ASP N N 62 120.211 119.905 0.306 1
1 748 . 3 1 1 A 66 66 ILE H H 63 7.805 7.547 0.258 1
1 749 . 3 1 1 A 66 66 ILE HA H 63 3.708 3.580 0.128 1
1 759 . 3 1 1 A 66 66 ILE C C 63 176.802 177.731 -0.929 1
1 760 . 3 1 1 A 66 66 ILE CA C 63 62.754 64.912 -2.158 1
1 761 . 3 1 1 A 66 66 ILE CB C 63 38.230 37.918 0.312 1
1 765 . 3 1 1 A 66 66 ILE N N 63 121.259 120.427 0.832 1
1 766 . 3 1 1 A 67 67 MET H H 64 7.950 7.753 0.197 1
1 767 . 3 1 1 A 67 67 MET HA H 64 4.229 4.492 -0.263 1
1 775 . 3 1 1 A 67 67 MET C C 64 176.724 177.343 -0.619 1
1 776 . 3 1 1 A 67 67 MET CA C 64 55.944 56.104 -0.160 1
1 777 . 3 1 1 A 67 67 MET CB C 64 31.826 34.230 -2.404 1
1 780 . 3 1 1 A 67 67 MET N N 64 118.533 117.609 0.924 1
1 781 . 3 1 1 A 68 68 ARG H H 65 7.604 7.978 -0.374 1
1 782 . 3 1 1 A 68 68 ARG HA H 65 4.197 4.293 -0.096 1
1 789 . 3 1 1 A 68 68 ARG C C 65 175.530 175.837 -0.307 1
1 790 . 3 1 1 A 68 68 ARG CA C 65 56.028 56.727 -0.699 1
1 791 . 3 1 1 A 68 68 ARG CB C 65 30.760 30.558 0.202 1
1 794 . 3 1 1 A 68 68 ARG N N 65 118.706 116.935 1.771 1
1 795 . 3 1 1 A 69 69 ALA H H 66 7.634 7.591 0.043 1
1 796 . 3 1 1 A 69 69 ALA HA H 66 4.254 4.822 -0.568 1
1 800 . 3 1 1 A 69 69 ALA C C 66 176.846 175.383 1.463 1
1 801 . 3 1 1 A 69 69 ALA CA C 66 51.905 50.727 1.178 1
1 802 . 3 1 1 A 69 69 ALA CB C 66 20.023 23.192 -3.169 1
1 803 . 3 1 1 A 69 69 ALA N N 66 123.528 119.962 3.566 1
1 804 . 3 1 1 A 70 70 GLU H H 67 8.192 8.595 -0.403 1
1 805 . 3 1 1 A 70 70 GLU HA H 67 4.228 4.515 -0.287 1
1 810 . 3 1 1 A 70 70 GLU C C 67 176.333 176.278 0.055 1
1 811 . 3 1 1 A 70 70 GLU CA C 67 55.928 56.441 -0.513 1
1 812 . 3 1 1 A 70 70 GLU CB C 67 30.769 30.430 0.339 1
1 814 . 3 1 1 A 70 70 GLU N N 67 120.599 120.997 -0.398 1
1 815 . 3 1 1 A 71 71 ARG H H 68 8.674 8.305 0.369 1
1 816 . 3 1 1 A 71 71 ARG HA H 68 3.696 4.410 -0.714 1
1 823 . 3 1 1 A 71 71 ARG C C 68 175.422 175.061 0.361 1
1 824 . 3 1 1 A 71 71 ARG CA C 68 56.964 55.696 1.268 1
1 825 . 3 1 1 A 71 71 ARG CB C 68 30.886 30.329 0.557 1
1 828 . 3 1 1 A 71 71 ARG N N 68 123.533 124.454 -0.921 1
1 829 . 3 1 1 A 72 72 ARG H H 69 7.660 8.493 -0.833 1
1 830 . 3 1 1 A 72 72 ARG HA H 69 4.642 4.838 -0.196 1
1 837 . 3 1 1 A 72 72 ARG C C 69 175.051 175.659 -0.608 1
1 838 . 3 1 1 A 72 72 ARG CA C 69 54.297 55.352 -1.055 1
1 839 . 3 1 1 A 72 72 ARG CB C 69 33.555 31.715 1.840 1
1 842 . 3 1 1 A 72 72 ARG N N 69 120.057 124.911 -4.854 1
1 843 . 3 1 1 A 73 73 PHE H H 70 8.714 8.886 -0.172 1
1 844 . 3 1 1 A 73 73 PHE HA H 70 5.020 5.135 -0.115 1
1 852 . 3 1 1 A 73 73 PHE C C 70 173.159 174.596 -1.437 1
1 853 . 3 1 1 A 73 73 PHE CA C 70 57.359 57.260 0.099 1
1 854 . 3 1 1 A 73 73 PHE CB C 70 43.426 42.262 1.164 1
1 860 . 3 1 1 A 73 73 PHE N N 70 119.519 124.287 -4.768 1
1 861 . 3 1 1 A 74 74 GLU H H 71 9.404 9.030 0.374 1
1 862 . 3 1 1 A 74 74 GLU HA H 71 4.996 5.097 -0.101 1
1 867 . 3 1 1 A 74 74 GLU C C 71 175.559 175.015 0.544 1
1 868 . 3 1 1 A 74 74 GLU CA C 71 52.975 54.854 -1.879 1
1 869 . 3 1 1 A 74 74 GLU CB C 71 33.399 33.644 -0.245 1
1 871 . 3 1 1 A 74 74 GLU N N 71 117.679 118.287 -0.608 1
1 872 . 3 1 1 A 75 75 THR H H 72 9.801 9.143 0.658 1
1 873 . 3 1 1 A 75 75 THR HA H 72 4.108 4.618 -0.510 1
1 878 . 3 1 1 A 75 75 THR C C 72 175.065 174.111 0.954 1
1 879 . 3 1 1 A 75 75 THR CA C 72 64.296 63.059 1.237 1
1 880 . 3 1 1 A 75 75 THR CB C 72 67.635 68.177 -0.542 1
1 882 . 3 1 1 A 75 75 THR N N 72 122.320 119.167 3.153 1
1 883 . 3 1 1 A 76 76 ARG H H 73 9.150 9.093 0.057 1
1 884 . 3 1 1 A 76 76 ARG HA H 73 4.283 4.391 -0.108 1
1 892 . 3 1 1 A 76 76 ARG C C 73 176.574 176.594 -0.020 1
1 893 . 3 1 1 A 76 76 ARG CA C 73 55.858 57.892 -2.034 1
1 894 . 3 1 1 A 76 76 ARG CB C 73 30.930 30.956 -0.026 1
1 897 . 3 1 1 A 76 76 ARG N N 73 127.709 128.072 -0.363 1
1 899 . 3 1 1 A 77 77 LEU H H 74 7.520 7.319 0.201 1
1 900 . 3 1 1 A 77 77 LEU HA H 74 4.480 4.947 -0.467 1
1 910 . 3 1 1 A 77 77 LEU C C 74 174.509 175.072 -0.563 1
1 911 . 3 1 1 A 77 77 LEU CA C 74 54.222 53.522 0.700 1
1 912 . 3 1 1 A 77 77 LEU CB C 74 47.315 46.771 0.544 1
1 916 . 3 1 1 A 77 77 LEU N N 74 117.021 117.485 -0.464 1
1 917 . 3 1 1 A 78 78 ALA H H 75 8.600 8.400 0.200 1
1 918 . 3 1 1 A 78 78 ALA HA H 75 4.999 4.875 0.124 1
1 922 . 3 1 1 A 78 78 ALA C C 75 176.343 177.123 -0.780 1
1 923 . 3 1 1 A 78 78 ALA CA C 75 50.324 51.871 -1.547 1
1 924 . 3 1 1 A 78 78 ALA CB C 75 21.074 22.067 -0.993 1
1 925 . 3 1 1 A 78 78 ALA N N 75 124.663 122.840 1.823 1
1 926 . 3 1 1 A 79 79 GLY H H 76 8.730 8.737 -0.007 1
1 927 . 3 1 1 A 79 79 GLY HA2 H 76 3.706 3.833 -0.127 1
1 928 . 3 1 1 A 79 79 GLY HA3 H 76 3.306 3.835 -0.529 1
1 929 . 3 1 1 A 79 79 GLY C C 76 175.173 174.096 1.077 1
1 930 . 3 1 1 A 79 79 GLY CA C 76 47.520 46.539 0.981 1
1 931 . 3 1 1 A 79 79 GLY N N 76 114.411 111.741 2.670 1
1 932 . 3 1 1 A 80 80 VAL H H 77 8.380 7.763 0.617 1
1 933 . 3 1 1 A 80 80 VAL HA H 77 4.643 4.548 0.095 1
1 941 . 3 1 1 A 80 80 VAL C C 77 175.208 174.941 0.267 1
1 942 . 3 1 1 A 80 80 VAL CA C 77 59.289 60.063 -0.774 1
1 943 . 3 1 1 A 80 80 VAL CB C 77 34.226 33.843 0.383 1
1 946 . 3 1 1 A 80 80 VAL N N 77 112.611 117.263 -4.652 1
1 947 . 3 1 1 A 81 81 GLU H H 78 8.415 8.440 -0.025 1
1 948 . 3 1 1 A 81 81 GLU HA H 78 4.451 4.760 -0.309 1
1 953 . 3 1 1 A 81 81 GLU C C 78 178.955 178.105 0.850 1
1 954 . 3 1 1 A 81 81 GLU CA C 78 55.631 54.967 0.664 1
1 955 . 3 1 1 A 81 81 GLU CB C 78 30.535 31.145 -0.610 1
1 957 . 3 1 1 A 81 81 GLU N N 78 117.186 119.593 -2.407 1
1 958 . 3 1 1 A 82 82 GLY H H 79 8.834 8.583 0.251 1
1 959 . 3 1 1 A 82 82 GLY HA2 H 79 3.810 3.861 -0.051 1
1 960 . 3 1 1 A 82 82 GLY HA3 H 79 3.518 3.864 -0.346 1
1 961 . 3 1 1 A 82 82 GLY C C 79 176.446 175.796 0.650 1
1 962 . 3 1 1 A 82 82 GLY CA C 79 47.629 46.910 0.719 1
1 963 . 3 1 1 A 82 82 GLY N N 79 109.312 108.312 1.000 1
1 964 . 3 1 1 A 83 83 GLU H H 80 8.747 8.159 0.588 1
1 965 . 3 1 1 A 83 83 GLU HA H 80 3.972 4.045 -0.073 1
1 970 . 3 1 1 A 83 83 GLU C C 80 179.046 179.329 -0.283 1
1 971 . 3 1 1 A 83 83 GLU CA C 80 59.403 59.166 0.237 1
1 972 . 3 1 1 A 83 83 GLU CB C 80 29.005 29.314 -0.309 1
1 974 . 3 1 1 A 83 83 GLU N N 80 119.416 121.131 -1.715 1
1 975 . 3 1 1 A 84 84 GLU H H 81 7.588 7.735 -0.147 1
1 976 . 3 1 1 A 84 84 GLU HA H 81 4.003 4.083 -0.080 1
1 981 . 3 1 1 A 84 84 GLU C C 81 179.682 179.429 0.253 1
1 982 . 3 1 1 A 84 84 GLU CA C 81 59.213 59.210 0.003 1
1 983 . 3 1 1 A 84 84 GLU CB C 81 29.473 29.525 -0.052 1
1 985 . 3 1 1 A 84 84 GLU N N 81 120.110 119.890 0.220 1
1 986 . 3 1 1 A 85 85 ILE H H 82 6.936 7.926 -0.990 1
1 987 . 3 1 1 A 85 85 ILE HA H 82 3.356 3.586 -0.230 1
1 997 . 3 1 1 A 85 85 ILE C C 82 177.308 177.641 -0.333 1
1 998 . 3 1 1 A 85 85 ILE CA C 82 64.055 65.893 -1.838 1
1 999 . 3 1 1 A 85 85 ILE CB C 82 36.836 38.228 -1.392 1
1 1003 . 3 1 1 A 85 85 ILE N N 82 120.268 121.621 -1.353 1
1 1004 . 3 1 1 A 86 86 ALA H H 83 8.292 8.423 -0.131 1
1 1005 . 3 1 1 A 86 86 ALA HA H 83 3.787 3.944 -0.157 1
1 1009 . 3 1 1 A 86 86 ALA C C 83 180.345 179.627 0.718 1
1 1010 . 3 1 1 A 86 86 ALA CA C 83 55.103 55.502 -0.399 1
1 1011 . 3 1 1 A 86 86 ALA CB C 83 17.928 18.137 -0.209 1
1 1012 . 3 1 1 A 86 86 ALA N N 83 121.052 121.398 -0.346 1
1 1013 . 3 1 1 A 87 87 ALA H H 84 7.516 7.690 -0.174 1
1 1014 . 3 1 1 A 87 87 ALA HA H 84 4.006 4.106 -0.100 1
1 1018 . 3 1 1 A 87 87 ALA C C 84 180.272 179.233 1.039 1
1 1019 . 3 1 1 A 87 87 ALA CA C 84 54.765 55.075 -0.310 1
1 1020 . 3 1 1 A 87 87 ALA CB C 84 17.949 18.025 -0.076 1
1 1021 . 3 1 1 A 87 87 ALA N N 84 119.052 120.716 -1.664 1
1 1022 . 3 1 1 A 88 88 LEU H H 85 7.285 7.407 -0.122 1
1 1023 . 3 1 1 A 88 88 LEU HA H 85 4.042 4.133 -0.091 1
1 1033 . 3 1 1 A 88 88 LEU C C 85 174.921 178.459 -3.538 1
1 1034 . 3 1 1 A 88 88 LEU CA C 85 58.290 57.168 1.122 1
1 1035 . 3 1 1 A 88 88 LEU CB C 85 41.610 42.261 -0.651 1
1 1039 . 3 1 1 A 88 88 LEU N N 85 121.211 118.978 2.233 1
1 1040 . 3 1 1 A 89 89 LEU H H 86 8.472 8.244 0.228 1
1 1041 . 3 1 1 A 89 89 LEU HA H 86 3.486 3.665 -0.179 1
1 1051 . 3 1 1 A 89 89 LEU C C 86 178.855 179.595 -0.740 1
1 1052 . 3 1 1 A 89 89 LEU CA C 86 57.476 57.426 0.050 1
1 1053 . 3 1 1 A 89 89 LEU CB C 86 41.478 41.449 0.029 1
1 1057 . 3 1 1 A 89 89 LEU N N 86 118.740 118.383 0.357 1
1 1058 . 3 1 1 A 90 90 GLU H H 87 7.926 8.623 -0.697 1
1 1059 . 3 1 1 A 90 90 GLU HA H 87 3.726 3.963 -0.237 1
1 1064 . 3 1 1 A 90 90 GLU C C 87 178.738 178.611 0.127 1
1 1065 . 3 1 1 A 90 90 GLU CA C 87 59.511 59.045 0.466 1
1 1066 . 3 1 1 A 90 90 GLU CB C 87 28.855 29.009 -0.154 1
1 1068 . 3 1 1 A 90 90 GLU N N 87 119.669 117.970 1.699 1
1 1069 . 3 1 1 A 91 91 ARG H H 88 7.069 7.789 -0.720 1
1 1070 . 3 1 1 A 91 91 ARG HA H 88 3.762 3.990 -0.228 1
1 1077 . 3 1 1 A 91 91 ARG C C 88 178.920 179.133 -0.213 1
1 1078 . 3 1 1 A 91 91 ARG CA C 88 59.544 59.440 0.104 1
1 1079 . 3 1 1 A 91 91 ARG CB C 88 29.723 30.329 -0.606 1
1 1082 . 3 1 1 A 91 91 ARG N N 88 119.088 119.585 -0.497 1
1 1083 . 3 1 1 A 92 92 GLU H H 89 8.170 8.196 -0.026 1
1 1084 . 3 1 1 A 92 92 GLU HA H 89 4.021 4.224 -0.203 1
1 1089 . 3 1 1 A 92 92 GLU C C 89 180.250 179.287 0.963 1
1 1090 . 3 1 1 A 92 92 GLU CA C 89 58.661 59.122 -0.461 1
1 1091 . 3 1 1 A 92 92 GLU CB C 89 28.073 29.126 -1.053 1
1 1093 . 3 1 1 A 92 92 GLU N N 89 117.768 119.704 -1.936 1
1 1094 . 3 1 1 A 93 93 ARG H H 90 8.355 8.004 0.351 1
1 1095 . 3 1 1 A 93 93 ARG HA H 90 4.003 4.367 -0.364 1
1 1102 . 3 1 1 A 93 93 ARG C C 90 177.592 178.506 -0.914 1
1 1103 . 3 1 1 A 93 93 ARG CA C 90 57.744 58.965 -1.221 1
1 1104 . 3 1 1 A 93 93 ARG CB C 90 30.325 29.701 0.624 1
1 1107 . 3 1 1 A 93 93 ARG N N 90 119.179 118.766 0.413 1
1 1108 . 3 1 1 A 94 94 ARG H H 91 7.232 7.721 -0.489 1
1 1109 . 3 1 1 A 94 94 ARG HA H 91 3.788 3.819 -0.031 1
1 1116 . 3 1 1 A 94 94 ARG C C 91 177.986 178.542 -0.556 1
1 1117 . 3 1 1 A 94 94 ARG CA C 91 58.462 58.775 -0.313 1
1 1118 . 3 1 1 A 94 94 ARG CB C 91 29.565 29.300 0.265 1
1 1121 . 3 1 1 A 94 94 ARG N N 91 118.441 119.803 -1.362 1
1 1122 . 3 1 1 A 95 95 PHE H H 92 7.048 7.337 -0.289 1
1 1123 . 3 1 1 A 95 95 PHE HA H 92 4.474 4.388 0.086 1
1 1128 . 3 1 1 A 95 95 PHE C C 92 175.728 175.614 0.114 1
1 1129 . 3 1 1 A 95 95 PHE CA C 92 58.210 59.755 -1.545 1
1 1130 . 3 1 1 A 95 95 PHE CB C 92 39.724 40.348 -0.624 1
1 1133 . 3 1 1 A 95 95 PHE N N 92 115.951 116.303 -0.352 1
1 1134 . 3 1 1 A 96 96 ASP H H 93 7.793 8.273 -0.480 1
1 1135 . 3 1 1 A 96 96 ASP HA H 93 4.703 4.918 -0.215 1
1 1138 . 3 1 1 A 96 96 ASP C C 93 179.474 176.231 3.243 1
1 1139 . 3 1 1 A 96 96 ASP CA C 93 53.103 52.734 0.369 1
1 1140 . 3 1 1 A 96 96 ASP CB C 93 41.634 42.162 -0.528 1
1 1141 . 3 1 1 A 96 96 ASP N N 93 119.328 116.872 2.456 1
1 1142 . 3 1 1 A 97 97 SER H H 94 8.490 9.032 -0.542 1
1 1143 . 3 1 1 A 97 97 SER HA H 94 4.204 4.214 -0.010 1
1 1146 . 3 1 1 A 97 97 SER C C 94 175.549 175.256 0.293 1
1 1147 . 3 1 1 A 97 97 SER CA C 94 60.047 61.067 -1.020 1
1 1148 . 3 1 1 A 97 97 SER CB C 94 63.408 62.785 0.623 1
1 1149 . 3 1 1 A 97 97 SER N N 94 118.740 119.224 -0.484 1
1 1150 . 3 1 1 A 98 98 ASP H H 95 8.229 8.336 -0.107 1
1 1151 . 3 1 1 A 98 98 ASP HA H 95 4.684 4.558 0.126 1
1 1154 . 3 1 1 A 98 98 ASP C C 95 175.547 176.359 -0.812 1
1 1155 . 3 1 1 A 98 98 ASP CA C 95 54.380 54.322 0.058 1
1 1156 . 3 1 1 A 98 98 ASP CB C 95 42.267 40.161 2.106 1
1 1157 . 3 1 1 A 98 98 ASP N N 95 121.306 116.942 4.364 1
1 1158 . 3 1 1 A 99 99 LEU H H 96 6.613 7.465 -0.852 1
1 1159 . 3 1 1 A 99 99 LEU HA H 96 4.801 5.024 -0.223 1
1 1169 . 3 1 1 A 99 99 LEU C C 96 176.224 176.199 0.025 1
1 1170 . 3 1 1 A 99 99 LEU CA C 96 55.691 53.861 1.830 1
1 1171 . 3 1 1 A 99 99 LEU CB C 96 42.272 43.647 -1.375 1
1 1175 . 3 1 1 A 99 99 LEU N N 96 117.774 116.865 0.909 1
1 1176 . 3 1 1 A 100 100 TRP H H 97 9.750 9.370 0.380 1
1 1177 . 3 1 1 A 100 100 TRP HA H 97 4.757 5.456 -0.699 1
1 1186 . 3 1 1 A 100 100 TRP C C 97 176.737 175.545 1.192 1
1 1187 . 3 1 1 A 100 100 TRP CA C 97 55.634 55.763 -0.129 1
1 1188 . 3 1 1 A 100 100 TRP CB C 97 31.794 32.392 -0.598 1
1 1194 . 3 1 1 A 100 100 TRP N N 97 120.649 120.634 0.015 1
1 1196 . 3 1 1 A 101 101 VAL H H 98 9.096 8.851 0.245 1
1 1197 . 3 1 1 A 101 101 VAL HA H 98 5.018 5.479 -0.461 1
1 1205 . 3 1 1 A 101 101 VAL C C 98 175.816 175.063 0.753 1
1 1206 . 3 1 1 A 101 101 VAL CA C 98 61.998 61.423 0.575 1
1 1207 . 3 1 1 A 101 101 VAL CB C 98 34.180 34.111 0.069 1
1 1210 . 3 1 1 A 101 101 VAL N N 98 117.960 121.441 -3.481 1
1 1211 . 3 1 1 A 102 102 VAL H H 99 9.113 9.124 -0.011 1
1 1212 . 3 1 1 A 102 102 VAL HA H 99 4.546 4.962 -0.416 1
1 1220 . 3 1 1 A 102 102 VAL C C 99 173.388 174.843 -1.455 1
1 1221 . 3 1 1 A 102 102 VAL CA C 99 60.987 61.207 -0.220 1
1 1222 . 3 1 1 A 102 102 VAL CB C 99 34.654 34.887 -0.233 1
1 1225 . 3 1 1 A 102 102 VAL N N 99 129.775 127.268 2.507 1
1 1226 . 3 1 1 A 103 103 GLU H H 100 9.226 8.625 0.601 1
1 1227 . 3 1 1 A 103 103 GLU HA H 100 5.376 4.701 0.675 1
1 1232 . 3 1 1 A 103 103 GLU C C 100 175.058 176.313 -1.255 1
1 1233 . 3 1 1 A 103 103 GLU CA C 100 54.158 55.913 -1.755 1
1 1234 . 3 1 1 A 103 103 GLU CB C 100 31.835 30.077 1.758 1
1 1236 . 3 1 1 A 103 103 GLU N N 100 128.249 127.253 0.996 1
1 1237 . 3 1 1 A 104 104 ILE H H 101 9.141 8.900 0.241 1
1 1238 . 3 1 1 A 104 104 ILE HA H 101 5.021 5.239 -0.218 1
1 1248 . 3 1 1 A 104 104 ILE C C 101 173.727 174.518 -0.791 1
1 1249 . 3 1 1 A 104 104 ILE CA C 101 59.226 59.221 0.005 1
1 1250 . 3 1 1 A 104 104 ILE CB C 101 42.192 40.128 2.064 1
1 1254 . 3 1 1 A 104 104 ILE N N 101 118.638 120.459 -1.821 1
1 1255 . 3 1 1 A 105 105 GLU H H 102 9.018 8.790 0.228 1
1 1256 . 3 1 1 A 105 105 GLU HA H 102 4.800 5.350 -0.550 1
1 1261 . 3 1 1 A 105 105 GLU C C 102 174.832 174.937 -0.105 1
1 1262 . 3 1 1 A 105 105 GLU CA C 102 55.362 55.212 0.150 1
1 1263 . 3 1 1 A 105 105 GLU CB C 102 31.160 32.410 -1.250 1
1 1265 . 3 1 1 A 105 105 GLU N N 102 125.842 122.363 3.479 1
1 1266 . 3 1 1 A 106 106 THR H H 103 7.678 8.265 -0.587 1
1 1267 . 3 1 1 A 106 106 THR HA H 103 4.424 4.858 -0.434 1
1 1272 . 3 1 1 A 106 106 THR C C 103 172.175 172.589 -0.414 1
1 1273 . 3 1 1 A 106 106 THR CA C 103 60.772 60.525 0.247 1
1 1274 . 3 1 1 A 106 106 THR CB C 103 67.599 69.686 -2.087 1
1 1276 . 3 1 1 A 106 106 THR N N 103 118.569 119.071 -0.502 1
1 1277 . 3 1 1 A 107 107 ASP H H 104 8.400 9.001 -0.601 1
1 1278 . 3 1 1 A 107 107 ASP HA H 104 4.635 4.587 0.048 1
1 1281 . 3 1 1 A 107 107 ASP C C 104 176.214 176.117 0.097 1
1 1282 . 3 1 1 A 107 107 ASP CA C 104 55.771 54.958 0.813 1
1 1283 . 3 1 1 A 107 107 ASP CB C 104 41.463 41.532 -0.069 1
1 1284 . 3 1 1 A 107 107 ASP N N 104 125.388 124.649 0.739 1
1 1285 . 3 1 1 A 108 108 GLU H H 105 7.995 7.205 0.790 1
1 1286 . 3 1 1 A 108 108 GLU HA H 105 4.524 4.820 -0.296 1
1 1291 . 3 1 1 A 108 108 GLU C C 105 175.340 176.092 -0.752 1
1 1292 . 3 1 1 A 108 108 GLU CA C 105 54.564 55.030 -0.466 1
1 1293 . 3 1 1 A 108 108 GLU CB C 105 30.953 32.132 -1.179 1
1 1295 . 3 1 1 A 108 108 GLU N N 105 120.222 116.450 3.772 1
1 1296 . 3 1 1 A 109 109 ILE H H 106 8.389 8.789 -0.400 1
1 1297 . 3 1 1 A 109 109 ILE HA H 106 3.853 4.057 -0.204 1
1 1307 . 3 1 1 A 109 109 ILE C C 106 176.324 177.759 -1.435 1
1 1308 . 3 1 1 A 109 109 ILE CA C 106 60.148 63.764 -3.616 1
1 1309 . 3 1 1 A 109 109 ILE CB C 106 38.950 38.752 0.198 1
1 1313 . 3 1 1 A 109 109 ILE N N 106 124.088 123.441 0.647 1
1 1314 . 3 1 1 A 110 110 GLY H H 107 8.534 8.375 0.159 1
1 1315 . 3 1 1 A 110 110 GLY HA2 H 107 3.744 3.793 -0.049 1
1 1316 . 3 1 1 A 110 110 GLY HA3 H 107 3.705 3.821 -0.116 1
1 1317 . 3 1 1 A 110 110 GLY C C 107 175.021 175.368 -0.347 1
1 1318 . 3 1 1 A 110 110 GLY CA C 107 46.530 46.611 -0.081 1
1 1319 . 3 1 1 A 110 110 GLY N N 107 109.224 109.263 -0.039 1
1 1320 . 3 1 1 A 111 111 THR H H 108 7.892 7.823 0.069 1
1 1321 . 3 1 1 A 111 111 THR HA H 108 4.255 4.136 0.119 1
1 1326 . 3 1 1 A 111 111 THR C C 108 175.417 175.737 -0.320 1
1 1327 . 3 1 1 A 111 111 THR CA C 108 61.287 64.866 -3.579 1
1 1328 . 3 1 1 A 111 111 THR CB C 108 68.657 69.054 -0.397 1
1 1330 . 3 1 1 A 111 111 THR N N 108 111.278 116.067 -4.789 1
1 1331 . 3 1 1 A 112 112 LEU H H 109 7.950 7.447 0.503 1
1 1332 . 3 1 1 A 112 112 LEU HA H 109 3.887 4.659 -0.772 1
1 1342 . 3 1 1 A 112 112 LEU C C 109 175.715 176.153 -0.438 1
1 1343 . 3 1 1 A 112 112 LEU CA C 109 56.661 54.208 2.453 1
1 1344 . 3 1 1 A 112 112 LEU CB C 109 43.310 42.684 0.626 1
1 1348 . 3 1 1 A 112 112 LEU N N 109 122.017 114.229 7.788 1
1 1349 . 3 1 1 A 113 113 LEU H H 110 7.003 7.176 -0.173 1
1 1350 . 3 1 1 A 113 113 LEU HA H 110 4.327 4.488 -0.161 1
1 1360 . 3 1 1 A 113 113 LEU C C 110 175.563 173.839 1.724 1
1 1361 . 3 1 1 A 113 113 LEU CA C 110 52.377 54.241 -1.864 1
1 1362 . 3 1 1 A 113 113 LEU CB C 110 44.890 45.213 -0.323 1
1 1366 . 3 1 1 A 113 113 LEU N N 110 113.184 120.094 -6.910 1
1 1367 . 3 1 1 A 114 114 THR H H 111 9.101 8.647 0.454 1
1 1368 . 3 1 1 A 114 114 THR HA H 111 4.079 4.871 -0.792 1
1 1373 . 3 1 1 A 114 114 THR C C 111 173.117 173.775 -0.658 1
1 1374 . 3 1 1 A 114 114 THR CA C 111 62.838 61.711 1.127 1
1 1375 . 3 1 1 A 114 114 THR CB C 111 68.245 70.346 -2.101 1
1 1377 . 3 1 1 A 114 114 THR N N 111 119.602 121.684 -2.082 1
1 1378 . 3 1 1 A 115 115 LEU H H 112 8.461 8.666 -0.205 1
1 1379 . 3 1 1 A 115 115 LEU HA H 112 4.985 5.306 -0.321 1
1 1389 . 3 1 1 A 115 115 LEU C C 112 178.488 177.242 1.246 1
1 1390 . 3 1 1 A 115 115 LEU CA C 112 52.953 53.420 -0.467 1
1 1391 . 3 1 1 A 115 115 LEU CB C 112 43.316 45.296 -1.980 1
1 1395 . 3 1 1 A 115 115 LEU N N 112 129.372 126.601 2.771 1
1 1396 . 3 1 1 A 116 116 VAL H H 113 8.550 8.780 -0.230 1
1 1397 . 3 1 1 A 116 116 VAL HA H 113 4.141 4.149 -0.008 1
1 1405 . 3 1 1 A 116 116 VAL C C 113 175.638 177.151 -1.513 1
1 1406 . 3 1 1 A 116 116 VAL CA C 113 61.559 63.532 -1.973 1
1 1407 . 3 1 1 A 116 116 VAL CB C 113 32.128 32.053 0.075 1
1 1410 . 3 1 1 A 116 116 VAL N N 113 117.300 119.505 -2.205 1
1 1411 . 3 1 1 A 117 117 ASP H H 114 8.095 8.126 -0.031 1
1 1412 . 3 1 1 A 117 117 ASP HA H 114 4.561 4.653 -0.092 1
1 1415 . 3 1 1 A 117 117 ASP C C 114 175.610 176.110 -0.500 1
1 1416 . 3 1 1 A 117 117 ASP CA C 114 53.586 55.925 -2.339 1
1 1417 . 3 1 1 A 117 117 ASP CB C 114 41.131 41.507 -0.376 1
1 1418 . 3 1 1 A 117 117 ASP N N 114 121.410 121.229 0.181 1
1 1419 . 3 1 1 A 118 118 GLN H H 115 8.048 7.830 0.218 1
1 1420 . 3 1 1 A 118 118 GLN HA H 115 4.539 4.497 0.042 1
1 1427 . 3 1 1 A 118 118 GLN CA C 115 53.464 54.288 -0.824 1
1 1428 . 3 1 1 A 118 118 GLN CB C 115 29.143 28.032 1.111 1
1 1430 . 3 1 1 A 118 118 GLN N N 115 120.387 118.268 2.119 1
1 1432 . 3 1 1 A 119 119 PRO HA H 116 4.314 4.542 -0.228 1
1 1439 . 3 1 1 A 119 119 PRO C C 116 176.819 177.286 -0.467 1
1 1440 . 3 1 1 A 119 119 PRO CA C 116 63.073 63.109 -0.036 1
1 1441 . 3 1 1 A 119 119 PRO CB C 116 32.117 32.440 -0.323 1
1 1444 . 3 1 1 A 120 120 GLN H H 117 8.404 9.004 -0.600 1
1 1445 . 3 1 1 A 120 120 GLN HA H 117 4.172 4.169 0.003 1
1 1452 . 3 1 1 A 120 120 GLN C C 117 174.745 176.070 -1.325 1
1 1453 . 3 1 1 A 120 120 GLN CA C 117 55.531 56.846 -1.315 1
1 1454 . 3 1 1 A 120 120 GLN CB C 117 29.529 29.974 -0.445 1
1 1456 . 3 1 1 A 120 120 GLN N N 117 121.403 120.824 0.579 1
1 14 . 4 1 1 A 5 5 ARG H H 2 8.281 7.925 0.356 1
1 15 . 4 1 1 A 5 5 ARG HA H 2 4.126 4.084 0.042 1
1 22 . 4 1 1 A 5 5 ARG C C 2 176.387 175.646 0.741 1
1 23 . 4 1 1 A 5 5 ARG CA C 2 56.556 56.673 -0.117 1
1 24 . 4 1 1 A 5 5 ARG CB C 2 30.698 28.897 1.801 1
1 27 . 4 1 1 A 5 5 ARG N N 2 123.269 116.789 6.480 1
1 28 . 4 1 1 A 6 6 LEU H H 3 8.527 7.911 0.616 1
1 29 . 4 1 1 A 6 6 LEU HA H 3 4.414 4.963 -0.549 1
1 39 . 4 1 1 A 6 6 LEU C C 3 178.040 175.779 2.261 1
1 40 . 4 1 1 A 6 6 LEU CA C 3 54.270 53.306 0.964 1
1 41 . 4 1 1 A 6 6 LEU CB C 3 43.612 45.791 -2.179 1
1 45 . 4 1 1 A 6 6 LEU N N 3 125.588 117.104 8.484 1
1 46 . 4 1 1 A 7 7 LYS H H 4 8.646 8.484 0.162 1
1 47 . 4 1 1 A 7 7 LYS HA H 4 4.524 4.493 0.031 1
1 56 . 4 1 1 A 7 7 LYS C C 4 178.029 177.456 0.573 1
1 57 . 4 1 1 A 7 7 LYS CA C 4 57.051 55.327 1.724 1
1 58 . 4 1 1 A 7 7 LYS CB C 4 32.877 33.090 -0.213 1
1 62 . 4 1 1 A 7 7 LYS N N 4 123.765 117.601 6.164 1
1 63 . 4 1 1 A 8 8 SER H H 5 8.316 8.730 -0.414 1
1 64 . 4 1 1 A 8 8 SER HA H 5 3.720 3.908 -0.188 1
1 67 . 4 1 1 A 8 8 SER C C 5 174.858 176.243 -1.385 1
1 68 . 4 1 1 A 8 8 SER CA C 5 63.553 62.003 1.550 1
1 69 . 4 1 1 A 8 8 SER CB C 5 62.382 62.590 -0.208 1
1 70 . 4 1 1 A 8 8 SER N N 5 122.163 114.757 7.406 1
1 71 . 4 1 1 A 9 9 GLU H H 6 8.913 8.216 0.697 1
1 72 . 4 1 1 A 9 9 GLU HA H 6 3.401 3.059 0.342 1
1 77 . 4 1 1 A 9 9 GLU C C 6 177.494 178.393 -0.899 1
1 78 . 4 1 1 A 9 9 GLU CA C 6 59.824 58.700 1.124 1
1 79 . 4 1 1 A 9 9 GLU CB C 6 29.780 29.113 0.667 1
1 81 . 4 1 1 A 9 9 GLU N N 6 118.372 121.717 -3.345 1
1 82 . 4 1 1 A 10 10 MET H H 7 6.642 7.966 -1.324 1
1 83 . 4 1 1 A 10 10 MET HA H 7 4.200 4.178 0.022 1
1 91 . 4 1 1 A 10 10 MET C C 7 178.173 178.243 -0.070 1
1 92 . 4 1 1 A 10 10 MET CA C 7 57.360 58.166 -0.806 1
1 93 . 4 1 1 A 10 10 MET CB C 7 32.761 32.174 0.587 1
1 96 . 4 1 1 A 10 10 MET N N 7 117.318 119.060 -1.742 1
1 97 . 4 1 1 A 11 11 PHE H H 8 8.432 7.875 0.557 1
1 98 . 4 1 1 A 11 11 PHE HA H 8 3.718 4.074 -0.356 1
1 105 . 4 1 1 A 11 11 PHE C C 8 177.603 176.616 0.987 1
1 106 . 4 1 1 A 11 11 PHE CA C 8 61.845 61.508 0.337 1
1 107 . 4 1 1 A 11 11 PHE CB C 8 38.595 39.114 -0.519 1
1 112 . 4 1 1 A 11 11 PHE N N 8 122.099 121.315 0.784 1
1 113 . 4 1 1 A 12 12 VAL H H 9 8.133 8.006 0.127 1
1 114 . 4 1 1 A 12 12 VAL HA H 9 3.021 3.421 -0.400 1
1 122 . 4 1 1 A 12 12 VAL C C 9 176.668 177.562 -0.894 1
1 123 . 4 1 1 A 12 12 VAL CA C 9 67.353 66.124 1.229 1
1 124 . 4 1 1 A 12 12 VAL CB C 9 31.238 31.102 0.136 1
1 127 . 4 1 1 A 12 12 VAL N N 9 119.317 118.912 0.405 1
1 128 . 4 1 1 A 13 13 SER H H 10 7.750 8.035 -0.285 1
1 129 . 4 1 1 A 13 13 SER HA H 10 3.905 3.985 -0.080 1
1 132 . 4 1 1 A 13 13 SER C C 10 176.947 176.878 0.069 1
1 133 . 4 1 1 A 13 13 SER CA C 10 61.775 61.518 0.257 1
1 134 . 4 1 1 A 13 13 SER CB C 10 62.483 62.920 -0.437 1
1 135 . 4 1 1 A 13 13 SER N N 10 114.115 115.374 -1.259 1
1 136 . 4 1 1 A 14 14 ALA H H 11 7.776 7.558 0.218 1
1 137 . 4 1 1 A 14 14 ALA HA H 11 3.860 4.020 -0.160 1
1 141 . 4 1 1 A 14 14 ALA C C 11 179.154 179.716 -0.562 1
1 142 . 4 1 1 A 14 14 ALA CA C 11 54.811 54.815 -0.004 1
1 143 . 4 1 1 A 14 14 ALA CB C 11 17.641 18.308 -0.667 1
1 144 . 4 1 1 A 14 14 ALA N N 11 123.170 123.681 -0.511 1
1 145 . 4 1 1 A 15 15 LEU H H 12 7.732 7.774 -0.042 1
1 146 . 4 1 1 A 15 15 LEU HA H 12 3.636 3.825 -0.189 1
1 156 . 4 1 1 A 15 15 LEU C C 12 177.617 178.908 -1.291 1
1 157 . 4 1 1 A 15 15 LEU CA C 12 57.790 57.534 0.256 1
1 158 . 4 1 1 A 15 15 LEU CB C 12 41.352 41.265 0.087 1
1 162 . 4 1 1 A 15 15 LEU N N 12 121.171 119.553 1.618 1
1 163 . 4 1 1 A 16 16 ILE H H 13 8.037 8.016 0.021 1
1 164 . 4 1 1 A 16 16 ILE HA H 13 3.061 3.496 -0.435 1
1 174 . 4 1 1 A 16 16 ILE C C 13 177.708 177.641 0.067 1
1 175 . 4 1 1 A 16 16 ILE CA C 13 65.872 65.564 0.308 1
1 176 . 4 1 1 A 16 16 ILE CB C 13 37.704 37.806 -0.102 1
1 180 . 4 1 1 A 16 16 ILE N N 13 117.849 120.109 -2.260 1
1 181 . 4 1 1 A 17 17 ARG H H 14 7.537 8.117 -0.580 1
1 182 . 4 1 1 A 17 17 ARG HA H 14 3.980 4.111 -0.131 1
1 189 . 4 1 1 A 17 17 ARG C C 14 179.876 178.800 1.076 1
1 190 . 4 1 1 A 17 17 ARG CA C 14 59.920 59.294 0.626 1
1 191 . 4 1 1 A 17 17 ARG CB C 14 29.995 29.435 0.560 1
1 194 . 4 1 1 A 17 17 ARG N N 14 117.366 120.379 -3.013 1
1 195 . 4 1 1 A 18 18 ARG H H 15 8.068 7.757 0.311 1
1 196 . 4 1 1 A 18 18 ARG HA H 15 3.868 3.983 -0.115 1
1 203 . 4 1 1 A 18 18 ARG C C 15 176.630 178.789 -2.159 1
1 204 . 4 1 1 A 18 18 ARG CA C 15 59.606 59.251 0.355 1
1 205 . 4 1 1 A 18 18 ARG CB C 15 30.327 29.915 0.412 1
1 208 . 4 1 1 A 18 18 ARG N N 15 119.713 119.465 0.248 1
1 209 . 4 1 1 A 19 19 VAL H H 16 8.259 7.412 0.847 1
1 210 . 4 1 1 A 19 19 VAL HA H 16 3.296 3.724 -0.428 1
1 218 . 4 1 1 A 19 19 VAL C C 16 177.306 178.066 -0.760 1
1 219 . 4 1 1 A 19 19 VAL CA C 16 66.667 65.283 1.384 1
1 220 . 4 1 1 A 19 19 VAL CB C 16 30.421 31.364 -0.943 1
1 223 . 4 1 1 A 19 19 VAL N N 16 121.385 116.389 4.996 1
1 224 . 4 1 1 A 20 20 PHE H H 17 8.014 7.698 0.316 1
1 225 . 4 1 1 A 20 20 PHE HA H 17 4.222 4.271 -0.049 1
1 233 . 4 1 1 A 20 20 PHE C C 17 180.973 177.970 3.003 1
1 234 . 4 1 1 A 20 20 PHE CA C 17 61.988 61.557 0.431 1
1 235 . 4 1 1 A 20 20 PHE CB C 17 38.553 37.661 0.892 1
1 241 . 4 1 1 A 20 20 PHE N N 17 118.811 120.475 -1.664 1
1 242 . 4 1 1 A 21 21 ALA H H 18 8.192 8.139 0.053 1
1 243 . 4 1 1 A 21 21 ALA HA H 18 4.096 4.097 -0.001 1
1 247 . 4 1 1 A 21 21 ALA C C 18 178.425 179.537 -1.112 1
1 248 . 4 1 1 A 21 21 ALA CA C 18 54.716 54.862 -0.146 1
1 249 . 4 1 1 A 21 21 ALA CB C 18 17.752 18.112 -0.360 1
1 250 . 4 1 1 A 21 21 ALA N N 18 122.995 121.919 1.076 1
1 251 . 4 1 1 A 22 22 ALA H H 19 7.256 7.209 0.047 1
1 252 . 4 1 1 A 22 22 ALA HA H 19 4.356 4.357 -0.001 1
1 256 . 4 1 1 A 22 22 ALA C C 19 177.665 177.528 0.137 1
1 257 . 4 1 1 A 22 22 ALA CA C 19 51.629 52.110 -0.481 1
1 258 . 4 1 1 A 22 22 ALA CB C 19 18.554 19.438 -0.884 1
1 259 . 4 1 1 A 22 22 ALA N N 19 118.872 117.458 1.414 1
1 260 . 4 1 1 A 23 23 GLY H H 20 7.774 7.909 -0.135 1
1 261 . 4 1 1 A 23 23 GLY HA2 H 20 4.207 3.953 0.254 1
1 262 . 4 1 1 A 23 23 GLY HA3 H 20 3.762 3.985 -0.223 1
1 263 . 4 1 1 A 23 23 GLY C C 20 174.779 174.767 0.012 1
1 264 . 4 1 1 A 23 23 GLY CA C 20 45.347 45.155 0.192 1
1 265 . 4 1 1 A 23 23 GLY N N 20 106.718 107.064 -0.346 1
1 266 . 4 1 1 A 24 24 GLY H H 21 7.795 7.866 -0.071 1
1 267 . 4 1 1 A 24 24 GLY HA2 H 21 4.538 3.944 0.594 1
1 268 . 4 1 1 A 24 24 GLY HA3 H 21 3.306 3.996 -0.690 1
1 269 . 4 1 1 A 24 24 GLY C C 21 171.187 172.066 -0.879 1
1 270 . 4 1 1 A 24 24 GLY CA C 21 43.665 44.233 -0.568 1
1 271 . 4 1 1 A 24 24 GLY N N 21 108.369 108.043 0.326 1
1 272 . 4 1 1 A 25 25 PHE H H 22 7.340 8.563 -1.223 1
1 273 . 4 1 1 A 25 25 PHE HA H 22 3.784 4.180 -0.396 1
1 280 . 4 1 1 A 25 25 PHE C C 22 172.423 173.448 -1.025 1
1 281 . 4 1 1 A 25 25 PHE CA C 22 56.434 55.829 0.605 1
1 282 . 4 1 1 A 25 25 PHE CB C 22 42.819 42.751 0.068 1
1 287 . 4 1 1 A 25 25 PHE N N 22 117.754 120.124 -2.370 1
1 288 . 4 1 1 A 26 26 ALA H H 23 5.579 7.485 -1.906 1
1 289 . 4 1 1 A 26 26 ALA HA H 23 4.943 5.196 -0.253 1
1 293 . 4 1 1 A 26 26 ALA C C 23 173.842 175.257 -1.415 1
1 294 . 4 1 1 A 26 26 ALA CA C 23 50.257 51.053 -0.796 1
1 295 . 4 1 1 A 26 26 ALA CB C 23 25.150 23.551 1.599 1
1 296 . 4 1 1 A 26 26 ALA N N 23 126.477 126.891 -0.414 1
1 297 . 4 1 1 A 27 27 ALA H H 24 8.723 8.114 0.609 1
1 298 . 4 1 1 A 27 27 ALA HA H 24 4.330 4.835 -0.505 1
1 302 . 4 1 1 A 27 27 ALA C C 24 175.543 176.065 -0.522 1
1 303 . 4 1 1 A 27 27 ALA CA C 24 51.545 51.841 -0.296 1
1 304 . 4 1 1 A 27 27 ALA CB C 24 22.974 22.965 0.009 1
1 305 . 4 1 1 A 27 27 ALA N N 24 118.178 119.664 -1.486 1
1 306 . 4 1 1 A 28 28 VAL H H 25 8.841 9.034 -0.193 1
1 307 . 4 1 1 A 28 28 VAL HA H 25 3.972 4.137 -0.165 1
1 315 . 4 1 1 A 28 28 VAL C C 25 175.547 175.333 0.214 1
1 316 . 4 1 1 A 28 28 VAL CA C 25 64.153 63.265 0.888 1
1 317 . 4 1 1 A 28 28 VAL CB C 25 31.951 30.921 1.030 1
1 320 . 4 1 1 A 28 28 VAL N N 25 120.857 123.615 -2.758 1
1 321 . 4 1 1 A 29 29 GLU H H 26 8.595 8.805 -0.210 1
1 322 . 4 1 1 A 29 29 GLU HA H 26 4.275 4.323 -0.048 1
1 327 . 4 1 1 A 29 29 GLU C C 26 176.177 176.258 -0.081 1
1 328 . 4 1 1 A 29 29 GLU CA C 26 57.686 58.719 -1.033 1
1 329 . 4 1 1 A 29 29 GLU CB C 26 30.521 30.742 -0.221 1
1 331 . 4 1 1 A 29 29 GLU N N 26 132.091 128.056 4.035 1
1 332 . 4 1 1 A 30 30 LYS H H 27 8.163 7.841 0.322 1
1 333 . 4 1 1 A 30 30 LYS HA H 27 4.352 4.876 -0.524 1
1 342 . 4 1 1 A 30 30 LYS C C 27 174.232 174.433 -0.201 1
1 343 . 4 1 1 A 30 30 LYS CA C 27 55.370 54.674 0.696 1
1 344 . 4 1 1 A 30 30 LYS CB C 27 36.138 35.589 0.549 1
1 348 . 4 1 1 A 30 30 LYS N N 27 119.899 119.110 0.789 1
1 349 . 4 1 1 A 31 31 LYS H H 28 8.603 8.552 0.051 1
1 350 . 4 1 1 A 31 31 LYS HA H 28 3.268 4.276 -1.008 1
1 359 . 4 1 1 A 31 31 LYS C C 28 175.170 174.973 0.197 1
1 360 . 4 1 1 A 31 31 LYS CA C 28 56.089 53.807 2.282 1
1 361 . 4 1 1 A 31 31 LYS CB C 28 32.386 35.375 -2.989 1
1 365 . 4 1 1 A 31 31 LYS N N 28 129.067 126.953 2.114 1
1 366 . 4 1 1 A 32 32 GLY H H 29 3.335 6.711 -3.376 1
1 367 . 4 1 1 A 32 32 GLY HA2 H 29 3.652 4.005 -0.353 1
1 368 . 4 1 1 A 32 32 GLY HA3 H 29 2.313 4.060 -1.747 1
1 369 . 4 1 1 A 32 32 GLY C C 29 172.863 173.188 -0.325 1
1 370 . 4 1 1 A 32 32 GLY CA C 29 43.344 44.564 -1.220 1
1 371 . 4 1 1 A 32 32 GLY N N 29 113.639 111.700 1.939 1
1 372 . 4 1 1 A 33 33 ALA H H 30 8.202 8.234 -0.032 1
1 373 . 4 1 1 A 33 33 ALA HA H 30 4.173 4.474 -0.301 1
1 377 . 4 1 1 A 33 33 ALA C C 30 181.026 178.199 2.827 1
1 378 . 4 1 1 A 33 33 ALA CA C 30 52.674 52.442 0.232 1
1 379 . 4 1 1 A 33 33 ALA CB C 30 19.020 19.127 -0.107 1
1 380 . 4 1 1 A 33 33 ALA N N 30 121.182 125.153 -3.971 1
1 381 . 4 1 1 A 34 34 GLU H H 31 9.313 9.278 0.035 1
1 382 . 4 1 1 A 34 34 GLU HA H 31 4.130 4.366 -0.236 1
1 387 . 4 1 1 A 34 34 GLU C C 31 177.137 178.820 -1.683 1
1 388 . 4 1 1 A 34 34 GLU CA C 31 61.214 59.394 1.820 1
1 389 . 4 1 1 A 34 34 GLU CB C 31 29.947 30.116 -0.169 1
1 391 . 4 1 1 A 34 34 GLU N N 31 126.206 125.342 0.864 1
1 392 . 4 1 1 A 35 35 ALA H H 32 8.614 7.991 0.623 1
1 393 . 4 1 1 A 35 35 ALA HA H 32 4.377 4.293 0.084 1
1 397 . 4 1 1 A 35 35 ALA C C 32 180.260 178.166 2.094 1
1 398 . 4 1 1 A 35 35 ALA CA C 32 55.118 54.707 0.411 1
1 399 . 4 1 1 A 35 35 ALA CB C 32 18.192 19.011 -0.819 1
1 400 . 4 1 1 A 35 35 ALA N N 32 119.251 121.975 -2.724 1
1 401 . 4 1 1 A 36 36 ALA H H 33 8.467 8.043 0.424 1
1 402 . 4 1 1 A 36 36 ALA HA H 33 4.612 4.442 0.170 1
1 406 . 4 1 1 A 36 36 ALA C C 33 177.468 177.475 -0.007 1
1 407 . 4 1 1 A 36 36 ALA CA C 33 51.190 51.298 -0.108 1
1 408 . 4 1 1 A 36 36 ALA CB C 33 19.451 19.638 -0.187 1
1 409 . 4 1 1 A 36 36 ALA N N 33 120.927 116.913 4.014 1
1 410 . 4 1 1 A 37 37 GLY H H 34 7.445 7.700 -0.255 1
1 411 . 4 1 1 A 37 37 GLY HA2 H 34 4.143 4.159 -0.016 1
1 412 . 4 1 1 A 37 37 GLY HA3 H 34 4.010 4.275 -0.265 1
1 413 . 4 1 1 A 37 37 GLY C C 34 174.885 173.476 1.409 1
1 414 . 4 1 1 A 37 37 GLY CA C 34 46.790 45.240 1.550 1
1 415 . 4 1 1 A 37 37 GLY N N 34 105.715 106.900 -1.185 1
1 416 . 4 1 1 A 38 38 ALA H H 35 9.722 8.317 1.405 1
1 417 . 4 1 1 A 38 38 ALA HA H 35 4.053 4.354 -0.301 1
1 421 . 4 1 1 A 38 38 ALA CA C 35 52.676 51.978 0.698 1
1 422 . 4 1 1 A 38 38 ALA CB C 35 20.069 19.859 0.210 1
1 423 . 4 1 1 A 38 38 ALA N N 35 131.782 122.199 9.583 1
1 424 . 4 1 1 A 39 39 ILE H H 36 7.776 8.516 -0.740 1
1 425 . 4 1 1 A 39 39 ILE HA H 36 4.533 4.895 -0.362 1
1 435 . 4 1 1 A 39 39 ILE C C 36 172.754 174.814 -2.060 1
1 436 . 4 1 1 A 39 39 ILE CA C 36 61.429 60.759 0.670 1
1 437 . 4 1 1 A 39 39 ILE CB C 36 40.275 40.329 -0.054 1
1 441 . 4 1 1 A 39 39 ILE N N 36 119.692 121.375 -1.683 1
1 442 . 4 1 1 A 40 40 PHE H H 37 8.513 9.257 -0.744 1
1 443 . 4 1 1 A 40 40 PHE HA H 37 5.242 5.782 -0.540 1
1 448 . 4 1 1 A 40 40 PHE C C 37 175.559 174.518 1.041 1
1 449 . 4 1 1 A 40 40 PHE CA C 37 56.375 57.011 -0.636 1
1 450 . 4 1 1 A 40 40 PHE CB C 37 41.794 40.301 1.493 1
1 453 . 4 1 1 A 40 40 PHE N N 37 123.003 126.195 -3.192 1
1 454 . 4 1 1 A 41 41 VAL H H 38 8.898 9.321 -0.423 1
1 455 . 4 1 1 A 41 41 VAL HA H 38 4.981 4.879 0.102 1
1 463 . 4 1 1 A 41 41 VAL C C 38 174.233 175.140 -0.907 1
1 464 . 4 1 1 A 41 41 VAL CA C 38 60.287 61.398 -1.111 1
1 465 . 4 1 1 A 41 41 VAL CB C 38 35.122 33.554 1.568 1
1 468 . 4 1 1 A 41 41 VAL N N 38 120.239 123.651 -3.412 1
1 469 . 4 1 1 A 42 42 ARG H H 39 9.399 9.111 0.288 1
1 470 . 4 1 1 A 42 42 ARG HA H 39 5.094 5.419 -0.325 1
1 478 . 4 1 1 A 42 42 ARG C C 39 173.198 174.455 -1.257 1
1 479 . 4 1 1 A 42 42 ARG CA C 39 54.067 55.246 -1.179 1
1 480 . 4 1 1 A 42 42 ARG CB C 39 33.430 31.793 1.637 1
1 483 . 4 1 1 A 42 42 ARG N N 39 129.107 126.204 2.903 1
1 485 . 4 1 1 A 43 43 GLN H H 40 9.402 8.905 0.497 1
1 486 . 4 1 1 A 43 43 GLN HA H 40 5.371 4.928 0.443 1
1 493 . 4 1 1 A 43 43 GLN C C 40 174.278 175.280 -1.002 1
1 494 . 4 1 1 A 43 43 GLN CA C 40 52.778 55.630 -2.852 1
1 495 . 4 1 1 A 43 43 GLN CB C 40 31.703 29.359 2.344 1
1 497 . 4 1 1 A 43 43 GLN N N 40 127.936 125.856 2.080 1
1 499 . 4 1 1 A 44 44 ARG H H 41 8.875 8.944 -0.069 1
1 500 . 4 1 1 A 44 44 ARG HA H 41 4.488 4.700 -0.212 1
1 507 . 4 1 1 A 44 44 ARG C C 41 175.417 175.634 -0.217 1
1 508 . 4 1 1 A 44 44 ARG CA C 41 56.319 56.277 0.042 1
1 509 . 4 1 1 A 44 44 ARG CB C 41 31.231 30.832 0.399 1
1 512 . 4 1 1 A 44 44 ARG N N 41 127.617 129.019 -1.402 1
1 513 . 4 1 1 A 45 45 LEU H H 42 8.494 8.533 -0.039 1
1 514 . 4 1 1 A 45 45 LEU HA H 42 4.480 4.577 -0.097 1
1 524 . 4 1 1 A 45 45 LEU C C 42 179.893 178.573 1.320 1
1 525 . 4 1 1 A 45 45 LEU CA C 42 53.972 55.377 -1.405 1
1 526 . 4 1 1 A 45 45 LEU CB C 42 42.206 41.807 0.399 1
1 530 . 4 1 1 A 45 45 LEU N N 42 125.380 128.726 -3.346 1
1 531 . 4 1 1 A 46 46 ARG H H 43 9.223 8.779 0.444 1
1 532 . 4 1 1 A 46 46 ARG HA H 43 3.929 4.069 -0.140 1
1 539 . 4 1 1 A 46 46 ARG C C 43 177.114 177.722 -0.608 1
1 540 . 4 1 1 A 46 46 ARG CA C 43 58.773 58.116 0.657 1
1 541 . 4 1 1 A 46 46 ARG CB C 43 29.688 29.857 -0.169 1
1 544 . 4 1 1 A 46 46 ARG N N 43 121.380 122.535 -1.155 1
1 545 . 4 1 1 A 47 47 ASP H H 44 7.727 7.720 0.007 1
1 546 . 4 1 1 A 47 47 ASP HA H 44 4.373 4.716 -0.343 1
1 549 . 4 1 1 A 47 47 ASP C C 44 177.125 176.240 0.885 1
1 550 . 4 1 1 A 47 47 ASP CA C 44 53.256 54.076 -0.820 1
1 551 . 4 1 1 A 47 47 ASP CB C 44 39.993 41.324 -1.331 1
1 552 . 4 1 1 A 47 47 ASP N N 44 115.801 119.796 -3.995 1
1 553 . 4 1 1 A 48 48 GLY H H 45 7.878 7.988 -0.110 1
1 554 . 4 1 1 A 48 48 GLY HA2 H 45 4.237 3.914 0.323 1
1 555 . 4 1 1 A 48 48 GLY HA3 H 45 3.531 3.916 -0.385 1
1 556 . 4 1 1 A 48 48 GLY C C 45 175.041 174.178 0.863 1
1 557 . 4 1 1 A 48 48 GLY CA C 45 45.289 45.613 -0.324 1
1 558 . 4 1 1 A 48 48 GLY N N 45 108.005 107.726 0.279 1
1 559 . 4 1 1 A 49 49 ARG H H 46 7.696 7.893 -0.197 1
1 560 . 4 1 1 A 49 49 ARG HA H 46 4.309 4.685 -0.376 1
1 567 . 4 1 1 A 49 49 ARG C C 46 174.199 175.088 -0.889 1
1 568 . 4 1 1 A 49 49 ARG CA C 46 55.909 54.991 0.918 1
1 569 . 4 1 1 A 49 49 ARG CB C 46 31.226 32.487 -1.261 1
1 572 . 4 1 1 A 49 49 ARG N N 46 120.601 119.482 1.119 1
1 573 . 4 1 1 A 50 50 GLU H H 47 8.885 8.630 0.255 1
1 574 . 4 1 1 A 50 50 GLU HA H 47 5.381 5.601 -0.220 1
1 579 . 4 1 1 A 50 50 GLU C C 47 175.590 174.763 0.827 1
1 580 . 4 1 1 A 50 50 GLU CA C 47 55.057 54.894 0.163 1
1 581 . 4 1 1 A 50 50 GLU CB C 47 35.650 34.262 1.388 1
1 583 . 4 1 1 A 50 50 GLU N N 47 116.439 118.705 -2.266 1
1 584 . 4 1 1 A 51 51 ASN H H 48 8.683 9.019 -0.336 1
1 585 . 4 1 1 A 51 51 ASN HA H 48 5.153 5.422 -0.269 1
1 590 . 4 1 1 A 51 51 ASN C C 48 173.562 173.995 -0.433 1
1 591 . 4 1 1 A 51 51 ASN CA C 48 50.361 51.724 -1.363 1
1 592 . 4 1 1 A 51 51 ASN CB C 48 41.823 41.626 0.197 1
1 593 . 4 1 1 A 51 51 ASN N N 48 114.752 121.238 -6.486 1
1 595 . 4 1 1 A 52 52 LEU H H 49 8.847 8.590 0.257 1
1 596 . 4 1 1 A 52 52 LEU HA H 49 5.274 5.401 -0.127 1
1 606 . 4 1 1 A 52 52 LEU C C 49 174.213 173.939 0.274 1
1 607 . 4 1 1 A 52 52 LEU CA C 49 52.889 52.912 -0.023 1
1 608 . 4 1 1 A 52 52 LEU CB C 49 46.300 46.522 -0.222 1
1 612 . 4 1 1 A 52 52 LEU N N 49 120.365 122.856 -2.491 1
1 613 . 4 1 1 A 53 53 TYR H H 50 9.641 9.075 0.566 1
1 614 . 4 1 1 A 53 53 TYR HA H 50 5.519 5.707 -0.188 1
1 621 . 4 1 1 A 53 53 TYR C C 50 175.473 175.459 0.014 1
1 622 . 4 1 1 A 53 53 TYR CA C 50 55.928 55.646 0.282 1
1 623 . 4 1 1 A 53 53 TYR CB C 50 40.076 42.931 -2.855 1
1 628 . 4 1 1 A 53 53 TYR N N 50 127.507 124.060 3.447 1
1 629 . 4 1 1 A 54 54 GLY H H 51 8.893 8.631 0.262 1
1 630 . 4 1 1 A 54 54 GLY HA2 H 51 4.687 3.646 1.041 1
1 631 . 4 1 1 A 54 54 GLY HA3 H 51 3.127 3.841 -0.714 1
1 632 . 4 1 1 A 54 54 GLY CA C 51 44.040 44.203 -0.163 1
1 633 . 4 1 1 A 54 54 GLY N N 51 108.518 109.912 -1.394 1
1 634 . 4 1 1 A 55 55 PRO HA H 52 3.849 3.579 0.270 1
1 641 . 4 1 1 A 55 55 PRO C C 52 176.695 176.685 0.010 1
1 642 . 4 1 1 A 55 55 PRO CA C 52 63.187 61.908 1.279 1
1 643 . 4 1 1 A 55 55 PRO CB C 52 32.096 31.121 0.975 1
1 646 . 4 1 1 A 56 56 ALA H H 53 7.675 7.898 -0.223 1
1 647 . 4 1 1 A 56 56 ALA HA H 53 4.242 4.572 -0.330 1
1 651 . 4 1 1 A 56 56 ALA CA C 53 49.506 50.641 -1.135 1
1 652 . 4 1 1 A 56 56 ALA CB C 53 18.096 17.574 0.522 1
1 653 . 4 1 1 A 56 56 ALA N N 53 126.695 125.305 1.390 1
1 654 . 4 1 1 A 57 57 PRO HA H 54 4.186 4.530 -0.344 1
1 661 . 4 1 1 A 57 57 PRO C C 54 179.368 176.522 2.846 1
1 662 . 4 1 1 A 57 57 PRO CA C 54 63.116 63.104 0.012 1
1 663 . 4 1 1 A 57 57 PRO CB C 54 31.747 31.571 0.176 1
1 666 . 4 1 1 A 58 58 GLN H H 55 8.278 8.495 -0.217 1
1 667 . 4 1 1 A 58 58 GLN HA H 55 4.083 4.374 -0.291 1
1 674 . 4 1 1 A 58 58 GLN C C 55 175.368 175.822 -0.454 1
1 675 . 4 1 1 A 58 58 GLN CA C 55 55.635 55.959 -0.324 1
1 676 . 4 1 1 A 58 58 GLN CB C 55 29.927 29.271 0.656 1
1 678 . 4 1 1 A 58 58 GLN N N 55 121.313 122.625 -1.312 1
1 680 . 4 1 1 A 59 59 SER H H 56 8.182 8.596 -0.414 1
1 681 . 4 1 1 A 59 59 SER HA H 56 4.246 4.555 -0.309 1
1 684 . 4 1 1 A 59 59 SER C C 56 174.075 174.212 -0.137 1
1 685 . 4 1 1 A 59 59 SER CA C 56 57.667 58.246 -0.579 1
1 686 . 4 1 1 A 59 59 SER CB C 56 63.751 62.538 1.213 1
1 687 . 4 1 1 A 59 59 SER N N 56 117.615 122.542 -4.927 1
1 688 . 4 1 1 A 60 60 PHE H H 57 8.100 8.215 -0.115 1
1 689 . 4 1 1 A 60 60 PHE HA H 57 4.493 5.743 -1.250 1
1 696 . 4 1 1 A 60 60 PHE C C 57 175.439 173.190 2.249 1
1 697 . 4 1 1 A 60 60 PHE CA C 57 57.622 55.031 2.591 1
1 698 . 4 1 1 A 60 60 PHE CB C 57 39.519 42.471 -2.952 1
1 703 . 4 1 1 A 60 60 PHE N N 57 121.890 122.851 -0.961 1
1 704 . 4 1 1 A 61 61 ALA H H 58 8.234 8.581 -0.347 1
1 705 . 4 1 1 A 61 61 ALA HA H 58 4.165 4.837 -0.672 1
1 709 . 4 1 1 A 61 61 ALA C C 58 179.286 177.141 2.145 1
1 710 . 4 1 1 A 61 61 ALA CA C 58 52.471 50.267 2.204 1
1 711 . 4 1 1 A 61 61 ALA CB C 58 19.444 20.509 -1.065 1
1 712 . 4 1 1 A 61 61 ALA N N 58 124.383 124.060 0.323 1
1 713 . 4 1 1 A 62 62 ASP H H 59 8.017 9.446 -1.429 1
1 714 . 4 1 1 A 62 62 ASP HA H 59 4.412 4.396 0.016 1
1 717 . 4 1 1 A 62 62 ASP C C 59 176.073 174.763 1.310 1
1 718 . 4 1 1 A 62 62 ASP CA C 59 54.360 55.215 -0.855 1
1 719 . 4 1 1 A 62 62 ASP CB C 59 41.213 39.510 1.703 1
1 720 . 4 1 1 A 62 62 ASP N N 59 118.579 124.971 -6.392 1
1 721 . 4 1 1 A 63 63 ASP H H 60 8.096 8.666 -0.570 1
1 722 . 4 1 1 A 63 63 ASP HA H 60 4.346 3.995 0.351 1
1 725 . 4 1 1 A 63 63 ASP C C 60 176.619 175.657 0.962 1
1 726 . 4 1 1 A 63 63 ASP CA C 60 54.714 55.616 -0.902 1
1 727 . 4 1 1 A 63 63 ASP CB C 60 40.801 39.048 1.753 1
1 728 . 4 1 1 A 63 63 ASP N N 60 119.530 110.658 8.872 1
1 729 . 4 1 1 A 64 64 GLU H H 61 8.109 7.892 0.217 1
1 730 . 4 1 1 A 64 64 GLU HA H 61 4.012 4.082 -0.070 1
1 735 . 4 1 1 A 64 64 GLU C C 61 176.652 178.734 -2.082 1
1 736 . 4 1 1 A 64 64 GLU CA C 61 57.301 59.035 -1.734 1
1 737 . 4 1 1 A 64 64 GLU CB C 61 30.107 29.344 0.763 1
1 739 . 4 1 1 A 64 64 GLU N N 61 120.050 119.504 0.546 1
1 740 . 4 1 1 A 65 65 ASP H H 62 8.062 8.307 -0.245 1
1 741 . 4 1 1 A 65 65 ASP HA H 62 4.369 4.485 -0.116 1
1 744 . 4 1 1 A 65 65 ASP C C 62 177.458 178.509 -1.051 1
1 745 . 4 1 1 A 65 65 ASP CA C 62 54.645 56.298 -1.653 1
1 746 . 4 1 1 A 65 65 ASP CB C 62 40.896 40.522 0.374 1
1 747 . 4 1 1 A 65 65 ASP N N 62 120.211 119.279 0.932 1
1 748 . 4 1 1 A 66 66 ILE H H 63 7.805 7.632 0.173 1
1 749 . 4 1 1 A 66 66 ILE HA H 63 3.708 3.712 -0.004 1
1 759 . 4 1 1 A 66 66 ILE C C 63 176.802 177.462 -0.660 1
1 760 . 4 1 1 A 66 66 ILE CA C 63 62.754 64.541 -1.787 1
1 761 . 4 1 1 A 66 66 ILE CB C 63 38.230 37.967 0.263 1
1 765 . 4 1 1 A 66 66 ILE N N 63 121.259 120.390 0.869 1
1 766 . 4 1 1 A 67 67 MET H H 64 7.950 7.854 0.096 1
1 767 . 4 1 1 A 67 67 MET HA H 64 4.229 4.443 -0.214 1
1 775 . 4 1 1 A 67 67 MET C C 64 176.724 177.479 -0.755 1
1 776 . 4 1 1 A 67 67 MET CA C 64 55.944 56.575 -0.631 1
1 777 . 4 1 1 A 67 67 MET CB C 64 31.826 33.858 -2.032 1
1 780 . 4 1 1 A 67 67 MET N N 64 118.533 118.232 0.301 1
1 781 . 4 1 1 A 68 68 ARG H H 65 7.604 7.658 -0.054 1
1 782 . 4 1 1 A 68 68 ARG HA H 65 4.197 4.224 -0.027 1
1 789 . 4 1 1 A 68 68 ARG C C 65 175.530 176.434 -0.904 1
1 790 . 4 1 1 A 68 68 ARG CA C 65 56.028 58.416 -2.388 1
1 791 . 4 1 1 A 68 68 ARG CB C 65 30.760 30.893 -0.133 1
1 794 . 4 1 1 A 68 68 ARG N N 65 118.706 117.032 1.674 1
1 795 . 4 1 1 A 69 69 ALA H H 66 7.634 7.472 0.162 1
1 796 . 4 1 1 A 69 69 ALA HA H 66 4.254 4.780 -0.526 1
1 800 . 4 1 1 A 69 69 ALA C C 66 176.846 176.158 0.688 1
1 801 . 4 1 1 A 69 69 ALA CA C 66 51.905 51.194 0.711 1
1 802 . 4 1 1 A 69 69 ALA CB C 66 20.023 23.080 -3.057 1
1 803 . 4 1 1 A 69 69 ALA N N 66 123.528 119.111 4.417 1
1 804 . 4 1 1 A 70 70 GLU H H 67 8.192 8.423 -0.231 1
1 805 . 4 1 1 A 70 70 GLU HA H 67 4.228 4.269 -0.041 1
1 810 . 4 1 1 A 70 70 GLU C C 67 176.333 176.189 0.144 1
1 811 . 4 1 1 A 70 70 GLU CA C 67 55.928 56.549 -0.621 1
1 812 . 4 1 1 A 70 70 GLU CB C 67 30.769 30.034 0.735 1
1 814 . 4 1 1 A 70 70 GLU N N 67 120.599 119.754 0.845 1
1 815 . 4 1 1 A 71 71 ARG H H 68 8.674 8.367 0.307 1
1 816 . 4 1 1 A 71 71 ARG HA H 68 3.696 4.194 -0.498 1
1 823 . 4 1 1 A 71 71 ARG C C 68 175.422 175.459 -0.037 1
1 824 . 4 1 1 A 71 71 ARG CA C 68 56.964 56.299 0.665 1
1 825 . 4 1 1 A 71 71 ARG CB C 68 30.886 30.334 0.552 1
1 828 . 4 1 1 A 71 71 ARG N N 68 123.533 121.303 2.230 1
1 829 . 4 1 1 A 72 72 ARG H H 69 7.660 8.677 -1.017 1
1 830 . 4 1 1 A 72 72 ARG HA H 69 4.642 4.597 0.045 1
1 837 . 4 1 1 A 72 72 ARG C C 69 175.051 175.989 -0.938 1
1 838 . 4 1 1 A 72 72 ARG CA C 69 54.297 55.861 -1.564 1
1 839 . 4 1 1 A 72 72 ARG CB C 69 33.555 31.312 2.243 1
1 842 . 4 1 1 A 72 72 ARG N N 69 120.057 124.734 -4.677 1
1 843 . 4 1 1 A 73 73 PHE H H 70 8.714 8.620 0.094 1
1 844 . 4 1 1 A 73 73 PHE HA H 70 5.020 5.173 -0.153 1
1 852 . 4 1 1 A 73 73 PHE C C 70 173.159 174.671 -1.512 1
1 853 . 4 1 1 A 73 73 PHE CA C 70 57.359 56.799 0.560 1
1 854 . 4 1 1 A 73 73 PHE CB C 70 43.426 43.074 0.352 1
1 860 . 4 1 1 A 73 73 PHE N N 70 119.519 121.625 -2.106 1
1 861 . 4 1 1 A 74 74 GLU H H 71 9.404 9.104 0.300 1
1 862 . 4 1 1 A 74 74 GLU HA H 71 4.996 5.017 -0.021 1
1 867 . 4 1 1 A 74 74 GLU C C 71 175.559 174.733 0.826 1
1 868 . 4 1 1 A 74 74 GLU CA C 71 52.975 54.849 -1.874 1
1 869 . 4 1 1 A 74 74 GLU CB C 71 33.399 33.862 -0.463 1
1 871 . 4 1 1 A 74 74 GLU N N 71 117.679 118.349 -0.670 1
1 872 . 4 1 1 A 75 75 THR H H 72 9.801 9.103 0.698 1
1 873 . 4 1 1 A 75 75 THR HA H 72 4.108 4.594 -0.486 1
1 878 . 4 1 1 A 75 75 THR C C 72 175.065 173.915 1.150 1
1 879 . 4 1 1 A 75 75 THR CA C 72 64.296 62.741 1.555 1
1 880 . 4 1 1 A 75 75 THR CB C 72 67.635 68.591 -0.956 1
1 882 . 4 1 1 A 75 75 THR N N 72 122.320 118.262 4.058 1
1 883 . 4 1 1 A 76 76 ARG H H 73 9.150 8.953 0.197 1
1 884 . 4 1 1 A 76 76 ARG HA H 73 4.283 4.346 -0.063 1
1 892 . 4 1 1 A 76 76 ARG C C 73 176.574 176.390 0.184 1
1 893 . 4 1 1 A 76 76 ARG CA C 73 55.858 58.102 -2.244 1
1 894 . 4 1 1 A 76 76 ARG CB C 73 30.930 31.170 -0.240 1
1 897 . 4 1 1 A 76 76 ARG N N 73 127.709 128.144 -0.435 1
1 899 . 4 1 1 A 77 77 LEU H H 74 7.520 7.339 0.181 1
1 900 . 4 1 1 A 77 77 LEU HA H 74 4.480 4.877 -0.397 1
1 910 . 4 1 1 A 77 77 LEU C C 74 174.509 175.637 -1.128 1
1 911 . 4 1 1 A 77 77 LEU CA C 74 54.222 52.939 1.283 1
1 912 . 4 1 1 A 77 77 LEU CB C 74 47.315 45.730 1.585 1
1 916 . 4 1 1 A 77 77 LEU N N 74 117.021 118.167 -1.146 1
1 917 . 4 1 1 A 78 78 ALA H H 75 8.600 8.401 0.199 1
1 918 . 4 1 1 A 78 78 ALA HA H 75 4.999 4.610 0.389 1
1 922 . 4 1 1 A 78 78 ALA C C 75 176.343 177.230 -0.887 1
1 923 . 4 1 1 A 78 78 ALA CA C 75 50.324 51.642 -1.318 1
1 924 . 4 1 1 A 78 78 ALA CB C 75 21.074 21.744 -0.670 1
1 925 . 4 1 1 A 78 78 ALA N N 75 124.663 121.862 2.801 1
1 926 . 4 1 1 A 79 79 GLY H H 76 8.730 8.703 0.027 1
1 927 . 4 1 1 A 79 79 GLY HA2 H 76 3.706 3.856 -0.150 1
1 928 . 4 1 1 A 79 79 GLY HA3 H 76 3.306 3.858 -0.552 1
1 929 . 4 1 1 A 79 79 GLY C C 76 175.173 174.096 1.077 1
1 930 . 4 1 1 A 79 79 GLY CA C 76 47.520 46.499 1.021 1
1 931 . 4 1 1 A 79 79 GLY N N 76 114.411 111.620 2.791 1
1 932 . 4 1 1 A 80 80 VAL H H 77 8.380 7.820 0.560 1
1 933 . 4 1 1 A 80 80 VAL HA H 77 4.643 4.478 0.165 1
1 941 . 4 1 1 A 80 80 VAL C C 77 175.208 175.020 0.188 1
1 942 . 4 1 1 A 80 80 VAL CA C 77 59.289 60.138 -0.849 1
1 943 . 4 1 1 A 80 80 VAL CB C 77 34.226 33.818 0.408 1
1 946 . 4 1 1 A 80 80 VAL N N 77 112.611 117.499 -4.888 1
1 947 . 4 1 1 A 81 81 GLU H H 78 8.415 8.292 0.123 1
1 948 . 4 1 1 A 81 81 GLU HA H 78 4.451 4.646 -0.195 1
1 953 . 4 1 1 A 81 81 GLU C C 78 178.955 178.196 0.759 1
1 954 . 4 1 1 A 81 81 GLU CA C 78 55.631 54.453 1.178 1
1 955 . 4 1 1 A 81 81 GLU CB C 78 30.535 30.966 -0.431 1
1 957 . 4 1 1 A 81 81 GLU N N 78 117.186 119.588 -2.402 1
1 958 . 4 1 1 A 82 82 GLY H H 79 8.834 8.858 -0.024 1
1 959 . 4 1 1 A 82 82 GLY HA2 H 79 3.810 3.864 -0.054 1
1 960 . 4 1 1 A 82 82 GLY HA3 H 79 3.518 3.865 -0.347 1
1 961 . 4 1 1 A 82 82 GLY C C 79 176.446 175.801 0.645 1
1 962 . 4 1 1 A 82 82 GLY CA C 79 47.629 46.909 0.720 1
1 963 . 4 1 1 A 82 82 GLY N N 79 109.312 108.003 1.309 1
1 964 . 4 1 1 A 83 83 GLU H H 80 8.747 8.092 0.655 1
1 965 . 4 1 1 A 83 83 GLU HA H 80 3.972 4.082 -0.110 1
1 970 . 4 1 1 A 83 83 GLU C C 80 179.046 179.414 -0.368 1
1 971 . 4 1 1 A 83 83 GLU CA C 80 59.403 59.110 0.293 1
1 972 . 4 1 1 A 83 83 GLU CB C 80 29.005 29.507 -0.502 1
1 974 . 4 1 1 A 83 83 GLU N N 80 119.416 121.119 -1.703 1
1 975 . 4 1 1 A 84 84 GLU H H 81 7.588 7.756 -0.168 1
1 976 . 4 1 1 A 84 84 GLU HA H 81 4.003 4.093 -0.090 1
1 981 . 4 1 1 A 84 84 GLU C C 81 179.682 179.415 0.267 1
1 982 . 4 1 1 A 84 84 GLU CA C 81 59.213 59.168 0.045 1
1 983 . 4 1 1 A 84 84 GLU CB C 81 29.473 29.381 0.092 1
1 985 . 4 1 1 A 84 84 GLU N N 81 120.110 119.894 0.216 1
1 986 . 4 1 1 A 85 85 ILE H H 82 6.936 7.967 -1.031 1
1 987 . 4 1 1 A 85 85 ILE HA H 82 3.356 3.589 -0.233 1
1 997 . 4 1 1 A 85 85 ILE C C 82 177.308 177.858 -0.550 1
1 998 . 4 1 1 A 85 85 ILE CA C 82 64.055 65.839 -1.784 1
1 999 . 4 1 1 A 85 85 ILE CB C 82 36.836 38.266 -1.430 1
1 1003 . 4 1 1 A 85 85 ILE N N 82 120.268 121.673 -1.405 1
1 1004 . 4 1 1 A 86 86 ALA H H 83 8.292 8.412 -0.120 1
1 1005 . 4 1 1 A 86 86 ALA HA H 83 3.787 3.974 -0.187 1
1 1009 . 4 1 1 A 86 86 ALA C C 83 180.345 179.684 0.661 1
1 1010 . 4 1 1 A 86 86 ALA CA C 83 55.103 55.342 -0.239 1
1 1011 . 4 1 1 A 86 86 ALA CB C 83 17.928 18.220 -0.292 1
1 1012 . 4 1 1 A 86 86 ALA N N 83 121.052 121.352 -0.300 1
1 1013 . 4 1 1 A 87 87 ALA H H 84 7.516 7.868 -0.352 1
1 1014 . 4 1 1 A 87 87 ALA HA H 84 4.006 4.112 -0.106 1
1 1018 . 4 1 1 A 87 87 ALA C C 84 180.272 179.319 0.953 1
1 1019 . 4 1 1 A 87 87 ALA CA C 84 54.765 55.047 -0.282 1
1 1020 . 4 1 1 A 87 87 ALA CB C 84 17.949 18.128 -0.179 1
1 1021 . 4 1 1 A 87 87 ALA N N 84 119.052 120.315 -1.263 1
1 1022 . 4 1 1 A 88 88 LEU H H 85 7.285 7.452 -0.167 1
1 1023 . 4 1 1 A 88 88 LEU HA H 85 4.042 4.110 -0.068 1
1 1033 . 4 1 1 A 88 88 LEU C C 85 174.921 178.611 -3.690 1
1 1034 . 4 1 1 A 88 88 LEU CA C 85 58.290 57.221 1.069 1
1 1035 . 4 1 1 A 88 88 LEU CB C 85 41.610 41.916 -0.306 1
1 1039 . 4 1 1 A 88 88 LEU N N 85 121.211 118.724 2.487 1
1 1040 . 4 1 1 A 89 89 LEU H H 86 8.472 8.270 0.202 1
1 1041 . 4 1 1 A 89 89 LEU HA H 86 3.486 3.836 -0.350 1
1 1051 . 4 1 1 A 89 89 LEU C C 86 178.855 179.752 -0.897 1
1 1052 . 4 1 1 A 89 89 LEU CA C 86 57.476 57.488 -0.012 1
1 1053 . 4 1 1 A 89 89 LEU CB C 86 41.478 41.443 0.035 1
1 1057 . 4 1 1 A 89 89 LEU N N 86 118.740 118.333 0.407 1
1 1058 . 4 1 1 A 90 90 GLU H H 87 7.926 8.624 -0.698 1
1 1059 . 4 1 1 A 90 90 GLU HA H 87 3.726 4.043 -0.317 1
1 1064 . 4 1 1 A 90 90 GLU C C 87 178.738 178.523 0.215 1
1 1065 . 4 1 1 A 90 90 GLU CA C 87 59.511 58.983 0.528 1
1 1066 . 4 1 1 A 90 90 GLU CB C 87 28.855 28.972 -0.117 1
1 1068 . 4 1 1 A 90 90 GLU N N 87 119.669 118.295 1.374 1
1 1069 . 4 1 1 A 91 91 ARG H H 88 7.069 7.656 -0.587 1
1 1070 . 4 1 1 A 91 91 ARG HA H 88 3.762 4.206 -0.444 1
1 1077 . 4 1 1 A 91 91 ARG C C 88 178.920 178.760 0.160 1
1 1078 . 4 1 1 A 91 91 ARG CA C 88 59.544 59.193 0.351 1
1 1079 . 4 1 1 A 91 91 ARG CB C 88 29.723 30.235 -0.512 1
1 1082 . 4 1 1 A 91 91 ARG N N 88 119.088 119.222 -0.134 1
1 1083 . 4 1 1 A 92 92 GLU H H 89 8.170 8.141 0.029 1
1 1084 . 4 1 1 A 92 92 GLU HA H 89 4.021 4.114 -0.093 1
1 1089 . 4 1 1 A 92 92 GLU C C 89 180.250 179.744 0.506 1
1 1090 . 4 1 1 A 92 92 GLU CA C 89 58.661 58.760 -0.099 1
1 1091 . 4 1 1 A 92 92 GLU CB C 89 28.073 28.896 -0.823 1
1 1093 . 4 1 1 A 92 92 GLU N N 89 117.768 119.438 -1.670 1
1 1094 . 4 1 1 A 93 93 ARG H H 90 8.355 8.026 0.329 1
1 1095 . 4 1 1 A 93 93 ARG HA H 90 4.003 4.295 -0.292 1
1 1102 . 4 1 1 A 93 93 ARG C C 90 177.592 178.601 -1.009 1
1 1103 . 4 1 1 A 93 93 ARG CA C 90 57.744 58.917 -1.173 1
1 1104 . 4 1 1 A 93 93 ARG CB C 90 30.325 29.900 0.425 1
1 1107 . 4 1 1 A 93 93 ARG N N 90 119.179 118.964 0.215 1
1 1108 . 4 1 1 A 94 94 ARG H H 91 7.232 7.546 -0.314 1
1 1109 . 4 1 1 A 94 94 ARG HA H 91 3.788 3.938 -0.150 1
1 1116 . 4 1 1 A 94 94 ARG C C 91 177.986 178.688 -0.702 1
1 1117 . 4 1 1 A 94 94 ARG CA C 91 58.462 58.944 -0.482 1
1 1118 . 4 1 1 A 94 94 ARG CB C 91 29.565 29.659 -0.094 1
1 1121 . 4 1 1 A 94 94 ARG N N 91 118.441 120.035 -1.594 1
1 1122 . 4 1 1 A 95 95 PHE H H 92 7.048 7.985 -0.937 1
1 1123 . 4 1 1 A 95 95 PHE HA H 92 4.474 4.327 0.147 1
1 1128 . 4 1 1 A 95 95 PHE C C 92 175.728 175.382 0.346 1
1 1129 . 4 1 1 A 95 95 PHE CA C 92 58.210 60.014 -1.804 1
1 1130 . 4 1 1 A 95 95 PHE CB C 92 39.724 39.876 -0.152 1
1 1133 . 4 1 1 A 95 95 PHE N N 92 115.951 116.851 -0.900 1
1 1134 . 4 1 1 A 96 96 ASP H H 93 7.793 8.213 -0.420 1
1 1135 . 4 1 1 A 96 96 ASP HA H 93 4.703 4.924 -0.221 1
1 1138 . 4 1 1 A 96 96 ASP C C 93 179.474 175.942 3.532 1
1 1139 . 4 1 1 A 96 96 ASP CA C 93 53.103 53.085 0.018 1
1 1140 . 4 1 1 A 96 96 ASP CB C 93 41.634 42.142 -0.508 1
1 1141 . 4 1 1 A 96 96 ASP N N 93 119.328 118.582 0.746 1
1 1142 . 4 1 1 A 97 97 SER H H 94 8.490 9.073 -0.583 1
1 1143 . 4 1 1 A 97 97 SER HA H 94 4.204 4.454 -0.250 1
1 1146 . 4 1 1 A 97 97 SER C C 94 175.549 174.781 0.768 1
1 1147 . 4 1 1 A 97 97 SER CA C 94 60.047 59.712 0.335 1
1 1148 . 4 1 1 A 97 97 SER CB C 94 63.408 62.939 0.469 1
1 1149 . 4 1 1 A 97 97 SER N N 94 118.740 120.783 -2.043 1
1 1150 . 4 1 1 A 98 98 ASP H H 95 8.229 8.043 0.186 1
1 1151 . 4 1 1 A 98 98 ASP HA H 95 4.684 4.672 0.012 1
1 1154 . 4 1 1 A 98 98 ASP C C 95 175.547 175.951 -0.404 1
1 1155 . 4 1 1 A 98 98 ASP CA C 95 54.380 55.190 -0.810 1
1 1156 . 4 1 1 A 98 98 ASP CB C 95 42.267 40.786 1.481 1
1 1157 . 4 1 1 A 98 98 ASP N N 95 121.306 119.843 1.463 1
1 1158 . 4 1 1 A 99 99 LEU H H 96 6.613 7.474 -0.861 1
1 1159 . 4 1 1 A 99 99 LEU HA H 96 4.801 5.230 -0.429 1
1 1169 . 4 1 1 A 99 99 LEU C C 96 176.224 176.231 -0.007 1
1 1170 . 4 1 1 A 99 99 LEU CA C 96 55.691 53.816 1.875 1
1 1171 . 4 1 1 A 99 99 LEU CB C 96 42.272 43.531 -1.259 1
1 1175 . 4 1 1 A 99 99 LEU N N 96 117.774 116.988 0.786 1
1 1176 . 4 1 1 A 100 100 TRP H H 97 9.750 9.321 0.429 1
1 1177 . 4 1 1 A 100 100 TRP HA H 97 4.757 5.345 -0.588 1
1 1186 . 4 1 1 A 100 100 TRP C C 97 176.737 175.408 1.329 1
1 1187 . 4 1 1 A 100 100 TRP CA C 97 55.634 55.510 0.124 1
1 1188 . 4 1 1 A 100 100 TRP CB C 97 31.794 31.441 0.353 1
1 1194 . 4 1 1 A 100 100 TRP N N 97 120.649 120.856 -0.207 1
1 1196 . 4 1 1 A 101 101 VAL H H 98 9.096 8.876 0.220 1
1 1197 . 4 1 1 A 101 101 VAL HA H 98 5.018 5.161 -0.143 1
1 1205 . 4 1 1 A 101 101 VAL C C 98 175.816 175.241 0.575 1
1 1206 . 4 1 1 A 101 101 VAL CA C 98 61.998 62.116 -0.118 1
1 1207 . 4 1 1 A 101 101 VAL CB C 98 34.180 33.203 0.977 1
1 1210 . 4 1 1 A 101 101 VAL N N 98 117.960 123.773 -5.813 1
1 1211 . 4 1 1 A 102 102 VAL H H 99 9.113 9.053 0.060 1
1 1212 . 4 1 1 A 102 102 VAL HA H 99 4.546 4.725 -0.179 1
1 1220 . 4 1 1 A 102 102 VAL C C 99 173.388 174.904 -1.516 1
1 1221 . 4 1 1 A 102 102 VAL CA C 99 60.987 61.294 -0.307 1
1 1222 . 4 1 1 A 102 102 VAL CB C 99 34.654 34.605 0.049 1
1 1225 . 4 1 1 A 102 102 VAL N N 99 129.775 128.107 1.668 1
1 1226 . 4 1 1 A 103 103 GLU H H 100 9.226 8.552 0.674 1
1 1227 . 4 1 1 A 103 103 GLU HA H 100 5.376 4.974 0.402 1
1 1232 . 4 1 1 A 103 103 GLU C C 100 175.058 176.090 -1.032 1
1 1233 . 4 1 1 A 103 103 GLU CA C 100 54.158 55.936 -1.778 1
1 1234 . 4 1 1 A 103 103 GLU CB C 100 31.835 30.298 1.537 1
1 1236 . 4 1 1 A 103 103 GLU N N 100 128.249 127.239 1.010 1
1 1237 . 4 1 1 A 104 104 ILE H H 101 9.141 9.007 0.134 1
1 1238 . 4 1 1 A 104 104 ILE HA H 101 5.021 5.233 -0.212 1
1 1248 . 4 1 1 A 104 104 ILE C C 101 173.727 174.377 -0.650 1
1 1249 . 4 1 1 A 104 104 ILE CA C 101 59.226 59.574 -0.348 1
1 1250 . 4 1 1 A 104 104 ILE CB C 101 42.192 40.584 1.608 1
1 1254 . 4 1 1 A 104 104 ILE N N 101 118.638 120.674 -2.036 1
1 1255 . 4 1 1 A 105 105 GLU H H 102 9.018 9.242 -0.224 1
1 1256 . 4 1 1 A 105 105 GLU HA H 102 4.800 4.979 -0.179 1
1 1261 . 4 1 1 A 105 105 GLU C C 102 174.832 175.459 -0.627 1
1 1262 . 4 1 1 A 105 105 GLU CA C 102 55.362 55.474 -0.112 1
1 1263 . 4 1 1 A 105 105 GLU CB C 102 31.160 30.615 0.545 1
1 1265 . 4 1 1 A 105 105 GLU N N 102 125.842 125.839 0.003 1
1 1266 . 4 1 1 A 106 106 THR H H 103 7.678 8.445 -0.767 1
1 1267 . 4 1 1 A 106 106 THR HA H 103 4.424 4.955 -0.531 1
1 1272 . 4 1 1 A 106 106 THR C C 103 172.175 173.112 -0.937 1
1 1273 . 4 1 1 A 106 106 THR CA C 103 60.772 60.267 0.505 1
1 1274 . 4 1 1 A 106 106 THR CB C 103 67.599 70.110 -2.511 1
1 1276 . 4 1 1 A 106 106 THR N N 103 118.569 119.904 -1.335 1
1 1277 . 4 1 1 A 107 107 ASP H H 104 8.400 8.995 -0.595 1
1 1278 . 4 1 1 A 107 107 ASP HA H 104 4.635 4.524 0.111 1
1 1281 . 4 1 1 A 107 107 ASP C C 104 176.214 175.905 0.309 1
1 1282 . 4 1 1 A 107 107 ASP CA C 104 55.771 55.487 0.284 1
1 1283 . 4 1 1 A 107 107 ASP CB C 104 41.463 41.118 0.345 1
1 1284 . 4 1 1 A 107 107 ASP N N 104 125.388 124.916 0.472 1
1 1285 . 4 1 1 A 108 108 GLU H H 105 7.995 7.325 0.670 1
1 1286 . 4 1 1 A 108 108 GLU HA H 105 4.524 4.716 -0.192 1
1 1291 . 4 1 1 A 108 108 GLU C C 105 175.340 176.227 -0.887 1
1 1292 . 4 1 1 A 108 108 GLU CA C 105 54.564 54.894 -0.330 1
1 1293 . 4 1 1 A 108 108 GLU CB C 105 30.953 31.996 -1.043 1
1 1295 . 4 1 1 A 108 108 GLU N N 105 120.222 116.258 3.964 1
1 1296 . 4 1 1 A 109 109 ILE H H 106 8.389 8.563 -0.174 1
1 1297 . 4 1 1 A 109 109 ILE HA H 106 3.853 4.266 -0.413 1
1 1307 . 4 1 1 A 109 109 ILE C C 106 176.324 177.406 -1.082 1
1 1308 . 4 1 1 A 109 109 ILE CA C 106 60.148 61.290 -1.142 1
1 1309 . 4 1 1 A 109 109 ILE CB C 106 38.950 41.120 -2.170 1
1 1313 . 4 1 1 A 109 109 ILE N N 106 124.088 120.955 3.133 1
1 1314 . 4 1 1 A 110 110 GLY H H 107 8.534 8.314 0.220 1
1 1315 . 4 1 1 A 110 110 GLY HA2 H 107 3.744 3.651 0.093 1
1 1316 . 4 1 1 A 110 110 GLY HA3 H 107 3.705 3.670 0.035 1
1 1317 . 4 1 1 A 110 110 GLY C C 107 175.021 175.758 -0.737 1
1 1318 . 4 1 1 A 110 110 GLY CA C 107 46.530 47.383 -0.853 1
1 1319 . 4 1 1 A 110 110 GLY N N 107 109.224 109.824 -0.600 1
1 1320 . 4 1 1 A 111 111 THR H H 108 7.892 7.627 0.265 1
1 1321 . 4 1 1 A 111 111 THR HA H 108 4.255 4.163 0.092 1
1 1326 . 4 1 1 A 111 111 THR C C 108 175.417 175.184 0.233 1
1 1327 . 4 1 1 A 111 111 THR CA C 108 61.287 64.098 -2.811 1
1 1328 . 4 1 1 A 111 111 THR CB C 108 68.657 68.871 -0.214 1
1 1330 . 4 1 1 A 111 111 THR N N 108 111.278 116.647 -5.369 1
1 1331 . 4 1 1 A 112 112 LEU H H 109 7.950 7.391 0.559 1
1 1332 . 4 1 1 A 112 112 LEU HA H 109 3.887 4.568 -0.681 1
1 1342 . 4 1 1 A 112 112 LEU C C 109 175.715 176.009 -0.294 1
1 1343 . 4 1 1 A 112 112 LEU CA C 109 56.661 53.943 2.718 1
1 1344 . 4 1 1 A 112 112 LEU CB C 109 43.310 43.396 -0.086 1
1 1348 . 4 1 1 A 112 112 LEU N N 109 122.017 114.574 7.443 1
1 1349 . 4 1 1 A 113 113 LEU H H 110 7.003 7.149 -0.146 1
1 1350 . 4 1 1 A 113 113 LEU HA H 110 4.327 4.540 -0.213 1
1 1360 . 4 1 1 A 113 113 LEU C C 110 175.563 174.032 1.531 1
1 1361 . 4 1 1 A 113 113 LEU CA C 110 52.377 54.358 -1.981 1
1 1362 . 4 1 1 A 113 113 LEU CB C 110 44.890 45.134 -0.244 1
1 1366 . 4 1 1 A 113 113 LEU N N 110 113.184 120.228 -7.044 1
1 1367 . 4 1 1 A 114 114 THR H H 111 9.101 8.797 0.304 1
1 1368 . 4 1 1 A 114 114 THR HA H 111 4.079 4.909 -0.830 1
1 1373 . 4 1 1 A 114 114 THR C C 111 173.117 173.931 -0.814 1
1 1374 . 4 1 1 A 114 114 THR CA C 111 62.838 62.090 0.748 1
1 1375 . 4 1 1 A 114 114 THR CB C 111 68.245 69.973 -1.728 1
1 1377 . 4 1 1 A 114 114 THR N N 111 119.602 122.877 -3.275 1
1 1378 . 4 1 1 A 115 115 LEU H H 112 8.461 8.756 -0.295 1
1 1379 . 4 1 1 A 115 115 LEU HA H 112 4.985 5.329 -0.344 1
1 1389 . 4 1 1 A 115 115 LEU C C 112 178.488 176.975 1.513 1
1 1390 . 4 1 1 A 115 115 LEU CA C 112 52.953 53.395 -0.442 1
1 1391 . 4 1 1 A 115 115 LEU CB C 112 43.316 45.469 -2.153 1
1 1395 . 4 1 1 A 115 115 LEU N N 112 129.372 126.802 2.570 1
1 1396 . 4 1 1 A 116 116 VAL H H 113 8.550 8.863 -0.313 1
1 1397 . 4 1 1 A 116 116 VAL HA H 113 4.141 4.035 0.106 1
1 1405 . 4 1 1 A 116 116 VAL C C 113 175.638 177.368 -1.730 1
1 1406 . 4 1 1 A 116 116 VAL CA C 113 61.559 64.409 -2.850 1
1 1407 . 4 1 1 A 116 116 VAL CB C 113 32.128 31.929 0.199 1
1 1410 . 4 1 1 A 116 116 VAL N N 113 117.300 120.672 -3.372 1
1 1411 . 4 1 1 A 117 117 ASP H H 114 8.095 8.050 0.045 1
1 1412 . 4 1 1 A 117 117 ASP HA H 114 4.561 4.459 0.102 1
1 1415 . 4 1 1 A 117 117 ASP C C 114 175.610 176.698 -1.088 1
1 1416 . 4 1 1 A 117 117 ASP CA C 114 53.586 57.112 -3.526 1
1 1417 . 4 1 1 A 117 117 ASP CB C 114 41.131 41.352 -0.221 1
1 1418 . 4 1 1 A 117 117 ASP N N 114 121.410 121.608 -0.198 1
1 1419 . 4 1 1 A 118 118 GLN H H 115 8.048 7.877 0.171 1
1 1420 . 4 1 1 A 118 118 GLN HA H 115 4.539 4.487 0.052 1
1 1427 . 4 1 1 A 118 118 GLN CA C 115 53.464 54.321 -0.857 1
1 1428 . 4 1 1 A 118 118 GLN CB C 115 29.143 28.117 1.026 1
1 1430 . 4 1 1 A 118 118 GLN N N 115 120.387 118.076 2.311 1
1 1432 . 4 1 1 A 119 119 PRO HA H 116 4.314 4.563 -0.249 1
1 1439 . 4 1 1 A 119 119 PRO C C 116 176.819 176.855 -0.036 1
1 1440 . 4 1 1 A 119 119 PRO CA C 116 63.073 62.730 0.343 1
1 1441 . 4 1 1 A 119 119 PRO CB C 116 32.117 32.549 -0.432 1
1 1444 . 4 1 1 A 120 120 GLN H H 117 8.404 8.682 -0.278 1
1 1445 . 4 1 1 A 120 120 GLN HA H 117 4.172 4.044 0.128 1
1 1452 . 4 1 1 A 120 120 GLN C C 117 174.745 176.955 -2.210 1
1 1453 . 4 1 1 A 120 120 GLN CA C 117 55.531 58.008 -2.477 1
1 1454 . 4 1 1 A 120 120 GLN CB C 117 29.529 28.411 1.118 1
1 1456 . 4 1 1 A 120 120 GLN N N 117 121.403 121.091 0.312 1
1 14 . 5 1 1 A 5 5 ARG H H 2 8.281 8.576 -0.295 1
1 15 . 5 1 1 A 5 5 ARG HA H 2 4.126 3.821 0.305 1
1 22 . 5 1 1 A 5 5 ARG C C 2 176.387 174.842 1.545 1
1 23 . 5 1 1 A 5 5 ARG CA C 2 56.556 57.331 -0.775 1
1 24 . 5 1 1 A 5 5 ARG CB C 2 30.698 26.672 4.026 1
1 27 . 5 1 1 A 5 5 ARG N N 2 123.269 115.336 7.933 1
1 28 . 5 1 1 A 6 6 LEU H H 3 8.527 7.803 0.724 1
1 29 . 5 1 1 A 6 6 LEU HA H 3 4.414 4.534 -0.120 1
1 39 . 5 1 1 A 6 6 LEU C C 3 178.040 176.883 1.157 1
1 40 . 5 1 1 A 6 6 LEU CA C 3 54.270 53.313 0.957 1
1 41 . 5 1 1 A 6 6 LEU CB C 3 43.612 43.847 -0.235 1
1 45 . 5 1 1 A 6 6 LEU N N 3 125.588 116.719 8.869 1
1 46 . 5 1 1 A 7 7 LYS H H 4 8.646 8.443 0.203 1
1 47 . 5 1 1 A 7 7 LYS HA H 4 4.524 4.483 0.041 1
1 56 . 5 1 1 A 7 7 LYS C C 4 178.029 177.537 0.492 1
1 57 . 5 1 1 A 7 7 LYS CA C 4 57.051 55.200 1.851 1
1 58 . 5 1 1 A 7 7 LYS CB C 4 32.877 33.109 -0.232 1
1 62 . 5 1 1 A 7 7 LYS N N 4 123.765 117.332 6.433 1
1 63 . 5 1 1 A 8 8 SER H H 5 8.316 8.503 -0.187 1
1 64 . 5 1 1 A 8 8 SER HA H 5 3.720 3.937 -0.217 1
1 67 . 5 1 1 A 8 8 SER C C 5 174.858 176.326 -1.468 1
1 68 . 5 1 1 A 8 8 SER CA C 5 63.553 61.742 1.811 1
1 69 . 5 1 1 A 8 8 SER CB C 5 62.382 62.515 -0.133 1
1 70 . 5 1 1 A 8 8 SER N N 5 122.163 114.211 7.952 1
1 71 . 5 1 1 A 9 9 GLU H H 6 8.913 8.124 0.789 1
1 72 . 5 1 1 A 9 9 GLU HA H 6 3.401 3.022 0.379 1
1 77 . 5 1 1 A 9 9 GLU C C 6 177.494 178.606 -1.112 1
1 78 . 5 1 1 A 9 9 GLU CA C 6 59.824 58.775 1.049 1
1 79 . 5 1 1 A 9 9 GLU CB C 6 29.780 29.041 0.739 1
1 81 . 5 1 1 A 9 9 GLU N N 6 118.372 121.524 -3.152 1
1 82 . 5 1 1 A 10 10 MET H H 7 6.642 8.035 -1.393 1
1 83 . 5 1 1 A 10 10 MET HA H 7 4.200 4.101 0.099 1
1 91 . 5 1 1 A 10 10 MET C C 7 178.173 178.225 -0.052 1
1 92 . 5 1 1 A 10 10 MET CA C 7 57.360 58.532 -1.172 1
1 93 . 5 1 1 A 10 10 MET CB C 7 32.761 32.166 0.595 1
1 96 . 5 1 1 A 10 10 MET N N 7 117.318 118.823 -1.505 1
1 97 . 5 1 1 A 11 11 PHE H H 8 8.432 7.913 0.519 1
1 98 . 5 1 1 A 11 11 PHE HA H 8 3.718 4.115 -0.397 1
1 105 . 5 1 1 A 11 11 PHE C C 8 177.603 177.177 0.426 1
1 106 . 5 1 1 A 11 11 PHE CA C 8 61.845 61.544 0.301 1
1 107 . 5 1 1 A 11 11 PHE CB C 8 38.595 39.066 -0.471 1
1 112 . 5 1 1 A 11 11 PHE N N 8 122.099 121.140 0.959 1
1 113 . 5 1 1 A 12 12 VAL H H 9 8.133 8.349 -0.216 1
1 114 . 5 1 1 A 12 12 VAL HA H 9 3.021 3.536 -0.515 1
1 122 . 5 1 1 A 12 12 VAL C C 9 176.668 178.109 -1.441 1
1 123 . 5 1 1 A 12 12 VAL CA C 9 67.353 66.514 0.839 1
1 124 . 5 1 1 A 12 12 VAL CB C 9 31.238 31.462 -0.224 1
1 127 . 5 1 1 A 12 12 VAL N N 9 119.317 118.626 0.691 1
1 128 . 5 1 1 A 13 13 SER H H 10 7.750 7.849 -0.099 1
1 129 . 5 1 1 A 13 13 SER HA H 10 3.905 4.059 -0.154 1
1 132 . 5 1 1 A 13 13 SER C C 10 176.947 176.538 0.409 1
1 133 . 5 1 1 A 13 13 SER CA C 10 61.775 61.995 -0.220 1
1 134 . 5 1 1 A 13 13 SER CB C 10 62.483 62.696 -0.213 1
1 135 . 5 1 1 A 13 13 SER N N 10 114.115 114.789 -0.674 1
1 136 . 5 1 1 A 14 14 ALA H H 11 7.776 7.361 0.415 1
1 137 . 5 1 1 A 14 14 ALA HA H 11 3.860 4.003 -0.143 1
1 141 . 5 1 1 A 14 14 ALA C C 11 179.154 179.690 -0.536 1
1 142 . 5 1 1 A 14 14 ALA CA C 11 54.811 54.745 0.066 1
1 143 . 5 1 1 A 14 14 ALA CB C 11 17.641 18.242 -0.601 1
1 144 . 5 1 1 A 14 14 ALA N N 11 123.170 123.348 -0.178 1
1 145 . 5 1 1 A 15 15 LEU H H 12 7.732 7.952 -0.220 1
1 146 . 5 1 1 A 15 15 LEU HA H 12 3.636 3.779 -0.143 1
1 156 . 5 1 1 A 15 15 LEU C C 12 177.617 178.585 -0.968 1
1 157 . 5 1 1 A 15 15 LEU CA C 12 57.790 57.428 0.362 1
1 158 . 5 1 1 A 15 15 LEU CB C 12 41.352 41.330 0.022 1
1 162 . 5 1 1 A 15 15 LEU N N 12 121.171 119.803 1.368 1
1 163 . 5 1 1 A 16 16 ILE H H 13 8.037 8.009 0.028 1
1 164 . 5 1 1 A 16 16 ILE HA H 13 3.061 3.367 -0.306 1
1 174 . 5 1 1 A 16 16 ILE C C 13 177.708 178.247 -0.539 1
1 175 . 5 1 1 A 16 16 ILE CA C 13 65.872 64.788 1.084 1
1 176 . 5 1 1 A 16 16 ILE CB C 13 37.704 37.134 0.570 1
1 180 . 5 1 1 A 16 16 ILE N N 13 117.849 119.946 -2.097 1
1 181 . 5 1 1 A 17 17 ARG H H 14 7.537 7.627 -0.090 1
1 182 . 5 1 1 A 17 17 ARG HA H 14 3.980 4.194 -0.214 1
1 189 . 5 1 1 A 17 17 ARG C C 14 179.876 178.894 0.982 1
1 190 . 5 1 1 A 17 17 ARG CA C 14 59.920 59.300 0.620 1
1 191 . 5 1 1 A 17 17 ARG CB C 14 29.995 29.701 0.294 1
1 194 . 5 1 1 A 17 17 ARG N N 14 117.366 120.897 -3.531 1
1 195 . 5 1 1 A 18 18 ARG H H 15 8.068 7.793 0.275 1
1 196 . 5 1 1 A 18 18 ARG HA H 15 3.868 3.999 -0.131 1
1 203 . 5 1 1 A 18 18 ARG C C 15 176.630 178.745 -2.115 1
1 204 . 5 1 1 A 18 18 ARG CA C 15 59.606 59.123 0.483 1
1 205 . 5 1 1 A 18 18 ARG CB C 15 30.327 29.899 0.428 1
1 208 . 5 1 1 A 18 18 ARG N N 15 119.713 119.607 0.106 1
1 209 . 5 1 1 A 19 19 VAL H H 16 8.259 7.194 1.065 1
1 210 . 5 1 1 A 19 19 VAL HA H 16 3.296 3.709 -0.413 1
1 218 . 5 1 1 A 19 19 VAL C C 16 177.306 178.062 -0.756 1
1 219 . 5 1 1 A 19 19 VAL CA C 16 66.667 65.241 1.426 1
1 220 . 5 1 1 A 19 19 VAL CB C 16 30.421 31.247 -0.826 1
1 223 . 5 1 1 A 19 19 VAL N N 16 121.385 116.283 5.102 1
1 224 . 5 1 1 A 20 20 PHE H H 17 8.014 7.325 0.689 1
1 225 . 5 1 1 A 20 20 PHE HA H 17 4.222 4.207 0.015 1
1 233 . 5 1 1 A 20 20 PHE C C 17 180.973 177.973 3.000 1
1 234 . 5 1 1 A 20 20 PHE CA C 17 61.988 61.575 0.413 1
1 235 . 5 1 1 A 20 20 PHE CB C 17 38.553 37.694 0.859 1
1 241 . 5 1 1 A 20 20 PHE N N 17 118.811 120.749 -1.938 1
1 242 . 5 1 1 A 21 21 ALA H H 18 8.192 8.073 0.119 1
1 243 . 5 1 1 A 21 21 ALA HA H 18 4.096 4.099 -0.003 1
1 247 . 5 1 1 A 21 21 ALA C C 18 178.425 179.536 -1.111 1
1 248 . 5 1 1 A 21 21 ALA CA C 18 54.716 54.883 -0.167 1
1 249 . 5 1 1 A 21 21 ALA CB C 18 17.752 18.115 -0.363 1
1 250 . 5 1 1 A 21 21 ALA N N 18 122.995 121.808 1.187 1
1 251 . 5 1 1 A 22 22 ALA H H 19 7.256 7.278 -0.022 1
1 252 . 5 1 1 A 22 22 ALA HA H 19 4.356 4.352 0.004 1
1 256 . 5 1 1 A 22 22 ALA C C 19 177.665 177.806 -0.141 1
1 257 . 5 1 1 A 22 22 ALA CA C 19 51.629 52.076 -0.447 1
1 258 . 5 1 1 A 22 22 ALA CB C 19 18.554 19.412 -0.858 1
1 259 . 5 1 1 A 22 22 ALA N N 19 118.872 117.493 1.379 1
1 260 . 5 1 1 A 23 23 GLY H H 20 7.774 7.956 -0.182 1
1 261 . 5 1 1 A 23 23 GLY HA2 H 20 4.207 4.027 0.180 1
1 262 . 5 1 1 A 23 23 GLY HA3 H 20 3.762 4.064 -0.302 1
1 263 . 5 1 1 A 23 23 GLY C C 20 174.779 174.864 -0.085 1
1 264 . 5 1 1 A 23 23 GLY CA C 20 45.347 45.215 0.132 1
1 265 . 5 1 1 A 23 23 GLY N N 20 106.718 107.253 -0.535 1
1 266 . 5 1 1 A 24 24 GLY H H 21 7.795 7.970 -0.175 1
1 267 . 5 1 1 A 24 24 GLY HA2 H 21 4.538 4.044 0.494 1
1 268 . 5 1 1 A 24 24 GLY HA3 H 21 3.306 4.107 -0.801 1
1 269 . 5 1 1 A 24 24 GLY C C 21 171.187 172.368 -1.181 1
1 270 . 5 1 1 A 24 24 GLY CA C 21 43.665 44.560 -0.895 1
1 271 . 5 1 1 A 24 24 GLY N N 21 108.369 108.080 0.289 1
1 272 . 5 1 1 A 25 25 PHE H H 22 7.340 8.790 -1.450 1
1 273 . 5 1 1 A 25 25 PHE HA H 22 3.784 5.175 -1.391 1
1 280 . 5 1 1 A 25 25 PHE C C 22 172.423 173.921 -1.498 1
1 281 . 5 1 1 A 25 25 PHE CA C 22 56.434 56.288 0.146 1
1 282 . 5 1 1 A 25 25 PHE CB C 22 42.819 42.786 0.033 1
1 287 . 5 1 1 A 25 25 PHE N N 22 117.754 120.911 -3.157 1
1 288 . 5 1 1 A 26 26 ALA H H 23 5.579 7.521 -1.942 1
1 289 . 5 1 1 A 26 26 ALA HA H 23 4.943 5.027 -0.084 1
1 293 . 5 1 1 A 26 26 ALA C C 23 173.842 175.179 -1.337 1
1 294 . 5 1 1 A 26 26 ALA CA C 23 50.257 50.783 -0.526 1
1 295 . 5 1 1 A 26 26 ALA CB C 23 25.150 23.314 1.836 1
1 296 . 5 1 1 A 26 26 ALA N N 23 126.477 127.430 -0.953 1
1 297 . 5 1 1 A 27 27 ALA H H 24 8.723 7.980 0.743 1
1 298 . 5 1 1 A 27 27 ALA HA H 24 4.330 4.813 -0.483 1
1 302 . 5 1 1 A 27 27 ALA C C 24 175.543 175.608 -0.065 1
1 303 . 5 1 1 A 27 27 ALA CA C 24 51.545 51.777 -0.232 1
1 304 . 5 1 1 A 27 27 ALA CB C 24 22.974 22.933 0.041 1
1 305 . 5 1 1 A 27 27 ALA N N 24 118.178 119.738 -1.560 1
1 306 . 5 1 1 A 28 28 VAL H H 25 8.841 9.001 -0.160 1
1 307 . 5 1 1 A 28 28 VAL HA H 25 3.972 4.361 -0.389 1
1 315 . 5 1 1 A 28 28 VAL C C 25 175.547 175.031 0.516 1
1 316 . 5 1 1 A 28 28 VAL CA C 25 64.153 62.337 1.816 1
1 317 . 5 1 1 A 28 28 VAL CB C 25 31.951 32.008 -0.057 1
1 320 . 5 1 1 A 28 28 VAL N N 25 120.857 123.562 -2.705 1
1 321 . 5 1 1 A 29 29 GLU H H 26 8.595 9.030 -0.435 1
1 322 . 5 1 1 A 29 29 GLU HA H 26 4.275 4.383 -0.108 1
1 327 . 5 1 1 A 29 29 GLU C C 26 176.177 176.253 -0.076 1
1 328 . 5 1 1 A 29 29 GLU CA C 26 57.686 58.368 -0.682 1
1 329 . 5 1 1 A 29 29 GLU CB C 26 30.521 30.520 0.001 1
1 331 . 5 1 1 A 29 29 GLU N N 26 132.091 127.949 4.142 1
1 332 . 5 1 1 A 30 30 LYS H H 27 8.163 7.493 0.670 1
1 333 . 5 1 1 A 30 30 LYS HA H 27 4.352 4.730 -0.378 1
1 342 . 5 1 1 A 30 30 LYS C C 27 174.232 174.982 -0.750 1
1 343 . 5 1 1 A 30 30 LYS CA C 27 55.370 55.274 0.096 1
1 344 . 5 1 1 A 30 30 LYS CB C 27 36.138 34.603 1.535 1
1 348 . 5 1 1 A 30 30 LYS N N 27 119.899 119.223 0.676 1
1 349 . 5 1 1 A 31 31 LYS H H 28 8.603 8.535 0.068 1
1 350 . 5 1 1 A 31 31 LYS HA H 28 3.268 4.154 -0.886 1
1 359 . 5 1 1 A 31 31 LYS C C 28 175.170 174.887 0.283 1
1 360 . 5 1 1 A 31 31 LYS CA C 28 56.089 53.847 2.242 1
1 361 . 5 1 1 A 31 31 LYS CB C 28 32.386 35.292 -2.906 1
1 365 . 5 1 1 A 31 31 LYS N N 28 129.067 126.750 2.317 1
1 366 . 5 1 1 A 32 32 GLY H H 29 3.335 6.508 -3.173 1
1 367 . 5 1 1 A 32 32 GLY HA2 H 29 3.652 3.925 -0.273 1
1 368 . 5 1 1 A 32 32 GLY HA3 H 29 2.313 3.955 -1.642 1
1 369 . 5 1 1 A 32 32 GLY C C 29 172.863 173.151 -0.288 1
1 370 . 5 1 1 A 32 32 GLY CA C 29 43.344 44.390 -1.046 1
1 371 . 5 1 1 A 32 32 GLY N N 29 113.639 111.742 1.897 1
1 372 . 5 1 1 A 33 33 ALA H H 30 8.202 8.035 0.167 1
1 373 . 5 1 1 A 33 33 ALA HA H 30 4.173 4.492 -0.319 1
1 377 . 5 1 1 A 33 33 ALA C C 30 181.026 178.731 2.295 1
1 378 . 5 1 1 A 33 33 ALA CA C 30 52.674 51.874 0.800 1
1 379 . 5 1 1 A 33 33 ALA CB C 30 19.020 19.312 -0.292 1
1 380 . 5 1 1 A 33 33 ALA N N 30 121.182 125.046 -3.864 1
1 381 . 5 1 1 A 34 34 GLU H H 31 9.313 9.201 0.112 1
1 382 . 5 1 1 A 34 34 GLU HA H 31 4.130 4.206 -0.076 1
1 387 . 5 1 1 A 34 34 GLU C C 31 177.137 178.751 -1.614 1
1 388 . 5 1 1 A 34 34 GLU CA C 31 61.214 59.407 1.807 1
1 389 . 5 1 1 A 34 34 GLU CB C 31 29.947 29.707 0.240 1
1 391 . 5 1 1 A 34 34 GLU N N 31 126.206 125.345 0.861 1
1 392 . 5 1 1 A 35 35 ALA H H 32 8.614 7.971 0.643 1
1 393 . 5 1 1 A 35 35 ALA HA H 32 4.377 4.326 0.051 1
1 397 . 5 1 1 A 35 35 ALA C C 32 180.260 178.617 1.643 1
1 398 . 5 1 1 A 35 35 ALA CA C 32 55.118 54.468 0.650 1
1 399 . 5 1 1 A 35 35 ALA CB C 32 18.192 19.609 -1.417 1
1 400 . 5 1 1 A 35 35 ALA N N 32 119.251 121.722 -2.471 1
1 401 . 5 1 1 A 36 36 ALA H H 33 8.467 7.870 0.597 1
1 402 . 5 1 1 A 36 36 ALA HA H 33 4.612 4.379 0.233 1
1 406 . 5 1 1 A 36 36 ALA C C 33 177.468 177.626 -0.158 1
1 407 . 5 1 1 A 36 36 ALA CA C 33 51.190 51.510 -0.320 1
1 408 . 5 1 1 A 36 36 ALA CB C 33 19.451 19.601 -0.150 1
1 409 . 5 1 1 A 36 36 ALA N N 33 120.927 117.036 3.891 1
1 410 . 5 1 1 A 37 37 GLY H H 34 7.445 8.095 -0.650 1
1 411 . 5 1 1 A 37 37 GLY HA2 H 34 4.143 4.138 0.005 1
1 412 . 5 1 1 A 37 37 GLY HA3 H 34 4.010 4.257 -0.247 1
1 413 . 5 1 1 A 37 37 GLY C C 34 174.885 173.431 1.454 1
1 414 . 5 1 1 A 37 37 GLY CA C 34 46.790 45.365 1.425 1
1 415 . 5 1 1 A 37 37 GLY N N 34 105.715 106.793 -1.078 1
1 416 . 5 1 1 A 38 38 ALA H H 35 9.722 8.309 1.413 1
1 417 . 5 1 1 A 38 38 ALA HA H 35 4.053 4.427 -0.374 1
1 421 . 5 1 1 A 38 38 ALA CA C 35 52.676 51.873 0.803 1
1 422 . 5 1 1 A 38 38 ALA CB C 35 20.069 20.107 -0.038 1
1 423 . 5 1 1 A 38 38 ALA N N 35 131.782 122.030 9.752 1
1 424 . 5 1 1 A 39 39 ILE H H 36 7.776 8.467 -0.691 1
1 425 . 5 1 1 A 39 39 ILE HA H 36 4.533 4.900 -0.367 1
1 435 . 5 1 1 A 39 39 ILE C C 36 172.754 174.920 -2.166 1
1 436 . 5 1 1 A 39 39 ILE CA C 36 61.429 60.775 0.654 1
1 437 . 5 1 1 A 39 39 ILE CB C 36 40.275 40.252 0.023 1
1 441 . 5 1 1 A 39 39 ILE N N 36 119.692 120.471 -0.779 1
1 442 . 5 1 1 A 40 40 PHE H H 37 8.513 9.246 -0.733 1
1 443 . 5 1 1 A 40 40 PHE HA H 37 5.242 5.821 -0.579 1
1 448 . 5 1 1 A 40 40 PHE C C 37 175.559 174.512 1.047 1
1 449 . 5 1 1 A 40 40 PHE CA C 37 56.375 56.889 -0.514 1
1 450 . 5 1 1 A 40 40 PHE CB C 37 41.794 40.268 1.526 1
1 453 . 5 1 1 A 40 40 PHE N N 37 123.003 126.240 -3.237 1
1 454 . 5 1 1 A 41 41 VAL H H 38 8.898 9.217 -0.319 1
1 455 . 5 1 1 A 41 41 VAL HA H 38 4.981 4.848 0.133 1
1 463 . 5 1 1 A 41 41 VAL C C 38 174.233 175.409 -1.176 1
1 464 . 5 1 1 A 41 41 VAL CA C 38 60.287 61.275 -0.988 1
1 465 . 5 1 1 A 41 41 VAL CB C 38 35.122 33.632 1.490 1
1 468 . 5 1 1 A 41 41 VAL N N 38 120.239 123.556 -3.317 1
1 469 . 5 1 1 A 42 42 ARG H H 39 9.399 8.854 0.545 1
1 470 . 5 1 1 A 42 42 ARG HA H 39 5.094 5.255 -0.161 1
1 478 . 5 1 1 A 42 42 ARG C C 39 173.198 174.760 -1.562 1
1 479 . 5 1 1 A 42 42 ARG CA C 39 54.067 55.233 -1.166 1
1 480 . 5 1 1 A 42 42 ARG CB C 39 33.430 32.053 1.377 1
1 483 . 5 1 1 A 42 42 ARG N N 39 129.107 125.973 3.134 1
1 485 . 5 1 1 A 43 43 GLN H H 40 9.402 8.885 0.517 1
1 486 . 5 1 1 A 43 43 GLN HA H 40 5.371 5.290 0.081 1
1 493 . 5 1 1 A 43 43 GLN C C 40 174.278 174.974 -0.696 1
1 494 . 5 1 1 A 43 43 GLN CA C 40 52.778 54.161 -1.383 1
1 495 . 5 1 1 A 43 43 GLN CB C 40 31.703 31.496 0.207 1
1 497 . 5 1 1 A 43 43 GLN N N 40 127.936 123.920 4.016 1
1 499 . 5 1 1 A 44 44 ARG H H 41 8.875 8.768 0.107 1
1 500 . 5 1 1 A 44 44 ARG HA H 41 4.488 4.708 -0.220 1
1 507 . 5 1 1 A 44 44 ARG C C 41 175.417 176.078 -0.661 1
1 508 . 5 1 1 A 44 44 ARG CA C 41 56.319 56.516 -0.197 1
1 509 . 5 1 1 A 44 44 ARG CB C 41 31.231 30.938 0.293 1
1 512 . 5 1 1 A 44 44 ARG N N 41 127.617 129.025 -1.408 1
1 513 . 5 1 1 A 45 45 LEU H H 42 8.494 8.818 -0.324 1
1 514 . 5 1 1 A 45 45 LEU HA H 42 4.480 4.641 -0.161 1
1 524 . 5 1 1 A 45 45 LEU C C 42 179.893 178.227 1.666 1
1 525 . 5 1 1 A 45 45 LEU CA C 42 53.972 54.602 -0.630 1
1 526 . 5 1 1 A 45 45 LEU CB C 42 42.206 42.167 0.039 1
1 530 . 5 1 1 A 45 45 LEU N N 42 125.380 128.176 -2.796 1
1 531 . 5 1 1 A 46 46 ARG H H 43 9.223 8.892 0.331 1
1 532 . 5 1 1 A 46 46 ARG HA H 43 3.929 4.077 -0.148 1
1 539 . 5 1 1 A 46 46 ARG C C 43 177.114 177.772 -0.658 1
1 540 . 5 1 1 A 46 46 ARG CA C 43 58.773 58.138 0.635 1
1 541 . 5 1 1 A 46 46 ARG CB C 43 29.688 29.824 -0.136 1
1 544 . 5 1 1 A 46 46 ARG N N 43 121.380 122.032 -0.652 1
1 545 . 5 1 1 A 47 47 ASP H H 44 7.727 7.914 -0.187 1
1 546 . 5 1 1 A 47 47 ASP HA H 44 4.373 4.568 -0.195 1
1 549 . 5 1 1 A 47 47 ASP C C 44 177.125 176.340 0.785 1
1 550 . 5 1 1 A 47 47 ASP CA C 44 53.256 54.235 -0.979 1
1 551 . 5 1 1 A 47 47 ASP CB C 44 39.993 41.016 -1.023 1
1 552 . 5 1 1 A 47 47 ASP N N 44 115.801 118.052 -2.251 1
1 553 . 5 1 1 A 48 48 GLY H H 45 7.878 7.786 0.092 1
1 554 . 5 1 1 A 48 48 GLY HA2 H 45 4.237 3.947 0.290 1
1 555 . 5 1 1 A 48 48 GLY HA3 H 45 3.531 3.949 -0.418 1
1 556 . 5 1 1 A 48 48 GLY C C 45 175.041 174.686 0.355 1
1 557 . 5 1 1 A 48 48 GLY CA C 45 45.289 45.094 0.195 1
1 558 . 5 1 1 A 48 48 GLY N N 45 108.005 106.241 1.764 1
1 559 . 5 1 1 A 49 49 ARG H H 46 7.696 7.845 -0.149 1
1 560 . 5 1 1 A 49 49 ARG HA H 46 4.309 4.540 -0.231 1
1 567 . 5 1 1 A 49 49 ARG C C 46 174.199 175.121 -0.922 1
1 568 . 5 1 1 A 49 49 ARG CA C 46 55.909 55.629 0.280 1
1 569 . 5 1 1 A 49 49 ARG CB C 46 31.226 32.328 -1.102 1
1 572 . 5 1 1 A 49 49 ARG N N 46 120.601 120.303 0.298 1
1 573 . 5 1 1 A 50 50 GLU H H 47 8.885 8.683 0.202 1
1 574 . 5 1 1 A 50 50 GLU HA H 47 5.381 5.558 -0.177 1
1 579 . 5 1 1 A 50 50 GLU C C 47 175.590 174.957 0.633 1
1 580 . 5 1 1 A 50 50 GLU CA C 47 55.057 54.875 0.182 1
1 581 . 5 1 1 A 50 50 GLU CB C 47 35.650 34.317 1.333 1
1 583 . 5 1 1 A 50 50 GLU N N 47 116.439 118.684 -2.245 1
1 584 . 5 1 1 A 51 51 ASN H H 48 8.683 8.807 -0.124 1
1 585 . 5 1 1 A 51 51 ASN HA H 48 5.153 5.473 -0.320 1
1 590 . 5 1 1 A 51 51 ASN C C 48 173.562 174.150 -0.588 1
1 591 . 5 1 1 A 51 51 ASN CA C 48 50.361 51.639 -1.278 1
1 592 . 5 1 1 A 51 51 ASN CB C 48 41.823 40.997 0.826 1
1 593 . 5 1 1 A 51 51 ASN N N 48 114.752 120.381 -5.629 1
1 595 . 5 1 1 A 52 52 LEU H H 49 8.847 8.549 0.298 1
1 596 . 5 1 1 A 52 52 LEU HA H 49 5.274 5.178 0.096 1
1 606 . 5 1 1 A 52 52 LEU C C 49 174.213 173.788 0.425 1
1 607 . 5 1 1 A 52 52 LEU CA C 49 52.889 52.974 -0.085 1
1 608 . 5 1 1 A 52 52 LEU CB C 49 46.300 46.408 -0.108 1
1 612 . 5 1 1 A 52 52 LEU N N 49 120.365 122.036 -1.671 1
1 613 . 5 1 1 A 53 53 TYR H H 50 9.641 9.097 0.544 1
1 614 . 5 1 1 A 53 53 TYR HA H 50 5.519 5.781 -0.262 1
1 621 . 5 1 1 A 53 53 TYR C C 50 175.473 175.566 -0.093 1
1 622 . 5 1 1 A 53 53 TYR CA C 50 55.928 55.636 0.292 1
1 623 . 5 1 1 A 53 53 TYR CB C 50 40.076 43.036 -2.960 1
1 628 . 5 1 1 A 53 53 TYR N N 50 127.507 124.252 3.255 1
1 629 . 5 1 1 A 54 54 GLY H H 51 8.893 8.649 0.244 1
1 630 . 5 1 1 A 54 54 GLY HA2 H 51 4.687 3.540 1.147 1
1 631 . 5 1 1 A 54 54 GLY HA3 H 51 3.127 3.632 -0.505 1
1 632 . 5 1 1 A 54 54 GLY CA C 51 44.040 44.355 -0.315 1
1 633 . 5 1 1 A 54 54 GLY N N 51 108.518 109.260 -0.742 1
1 634 . 5 1 1 A 55 55 PRO HA H 52 3.849 3.817 0.032 1
1 641 . 5 1 1 A 55 55 PRO C C 52 176.695 176.599 0.096 1
1 642 . 5 1 1 A 55 55 PRO CA C 52 63.187 61.979 1.208 1
1 643 . 5 1 1 A 55 55 PRO CB C 52 32.096 31.194 0.902 1
1 646 . 5 1 1 A 56 56 ALA H H 53 7.675 7.871 -0.196 1
1 647 . 5 1 1 A 56 56 ALA HA H 53 4.242 4.671 -0.429 1
1 651 . 5 1 1 A 56 56 ALA CA C 53 49.506 50.602 -1.096 1
1 652 . 5 1 1 A 56 56 ALA CB C 53 18.096 17.505 0.591 1
1 653 . 5 1 1 A 56 56 ALA N N 53 126.695 125.091 1.604 1
1 654 . 5 1 1 A 57 57 PRO HA H 54 4.186 4.499 -0.313 1
1 661 . 5 1 1 A 57 57 PRO C C 54 179.368 176.225 3.143 1
1 662 . 5 1 1 A 57 57 PRO CA C 54 63.116 62.495 0.621 1
1 663 . 5 1 1 A 57 57 PRO CB C 54 31.747 29.990 1.757 1
1 666 . 5 1 1 A 58 58 GLN H H 55 8.278 8.300 -0.022 1
1 667 . 5 1 1 A 58 58 GLN HA H 55 4.083 4.293 -0.210 1
1 674 . 5 1 1 A 58 58 GLN C C 55 175.368 175.626 -0.258 1
1 675 . 5 1 1 A 58 58 GLN CA C 55 55.635 56.404 -0.769 1
1 676 . 5 1 1 A 58 58 GLN CB C 55 29.927 29.549 0.378 1
1 678 . 5 1 1 A 58 58 GLN N N 55 121.313 122.784 -1.471 1
1 680 . 5 1 1 A 59 59 SER H H 56 8.182 8.588 -0.406 1
1 681 . 5 1 1 A 59 59 SER HA H 56 4.246 4.531 -0.285 1
1 684 . 5 1 1 A 59 59 SER C C 56 174.075 173.707 0.368 1
1 685 . 5 1 1 A 59 59 SER CA C 56 57.667 57.643 0.024 1
1 686 . 5 1 1 A 59 59 SER CB C 56 63.751 62.279 1.472 1
1 687 . 5 1 1 A 59 59 SER N N 56 117.615 120.900 -3.285 1
1 688 . 5 1 1 A 60 60 PHE H H 57 8.100 7.882 0.218 1
1 689 . 5 1 1 A 60 60 PHE HA H 57 4.493 5.263 -0.770 1
1 696 . 5 1 1 A 60 60 PHE C C 57 175.439 174.474 0.965 1
1 697 . 5 1 1 A 60 60 PHE CA C 57 57.622 55.302 2.320 1
1 698 . 5 1 1 A 60 60 PHE CB C 57 39.519 40.860 -1.341 1
1 703 . 5 1 1 A 60 60 PHE N N 57 121.890 120.480 1.410 1
1 704 . 5 1 1 A 61 61 ALA H H 58 8.234 8.820 -0.586 1
1 705 . 5 1 1 A 61 61 ALA HA H 58 4.165 4.900 -0.735 1
1 709 . 5 1 1 A 61 61 ALA C C 58 179.286 177.215 2.071 1
1 710 . 5 1 1 A 61 61 ALA CA C 58 52.471 50.190 2.281 1
1 711 . 5 1 1 A 61 61 ALA CB C 58 19.444 20.830 -1.386 1
1 712 . 5 1 1 A 61 61 ALA N N 58 124.383 123.661 0.722 1
1 713 . 5 1 1 A 62 62 ASP H H 59 8.017 9.462 -1.445 1
1 714 . 5 1 1 A 62 62 ASP HA H 59 4.412 4.365 0.047 1
1 717 . 5 1 1 A 62 62 ASP C C 59 176.073 174.715 1.358 1
1 718 . 5 1 1 A 62 62 ASP CA C 59 54.360 55.163 -0.803 1
1 719 . 5 1 1 A 62 62 ASP CB C 59 41.213 39.840 1.373 1
1 720 . 5 1 1 A 62 62 ASP N N 59 118.579 124.946 -6.367 1
1 721 . 5 1 1 A 63 63 ASP H H 60 8.096 8.523 -0.427 1
1 722 . 5 1 1 A 63 63 ASP HA H 60 4.346 4.196 0.150 1
1 725 . 5 1 1 A 63 63 ASP C C 60 176.619 175.617 1.002 1
1 726 . 5 1 1 A 63 63 ASP CA C 60 54.714 55.677 -0.963 1
1 727 . 5 1 1 A 63 63 ASP CB C 60 40.801 39.135 1.666 1
1 728 . 5 1 1 A 63 63 ASP N N 60 119.530 111.193 8.337 1
1 729 . 5 1 1 A 64 64 GLU H H 61 8.109 7.955 0.154 1
1 730 . 5 1 1 A 64 64 GLU HA H 61 4.012 4.169 -0.157 1
1 735 . 5 1 1 A 64 64 GLU C C 61 176.652 178.543 -1.891 1
1 736 . 5 1 1 A 64 64 GLU CA C 61 57.301 59.235 -1.934 1
1 737 . 5 1 1 A 64 64 GLU CB C 61 30.107 30.091 0.016 1
1 739 . 5 1 1 A 64 64 GLU N N 61 120.050 118.360 1.690 1
1 740 . 5 1 1 A 65 65 ASP H H 62 8.062 8.305 -0.243 1
1 741 . 5 1 1 A 65 65 ASP HA H 62 4.369 4.425 -0.056 1
1 744 . 5 1 1 A 65 65 ASP C C 62 177.458 178.488 -1.030 1
1 745 . 5 1 1 A 65 65 ASP CA C 62 54.645 56.603 -1.958 1
1 746 . 5 1 1 A 65 65 ASP CB C 62 40.896 41.540 -0.644 1
1 747 . 5 1 1 A 65 65 ASP N N 62 120.211 120.205 0.006 1
1 748 . 5 1 1 A 66 66 ILE H H 63 7.805 7.544 0.261 1
1 749 . 5 1 1 A 66 66 ILE HA H 63 3.708 3.744 -0.036 1
1 759 . 5 1 1 A 66 66 ILE C C 63 176.802 177.547 -0.745 1
1 760 . 5 1 1 A 66 66 ILE CA C 63 62.754 64.575 -1.821 1
1 761 . 5 1 1 A 66 66 ILE CB C 63 38.230 37.813 0.417 1
1 765 . 5 1 1 A 66 66 ILE N N 63 121.259 119.420 1.839 1
1 766 . 5 1 1 A 67 67 MET H H 64 7.950 7.695 0.255 1
1 767 . 5 1 1 A 67 67 MET HA H 64 4.229 4.639 -0.410 1
1 775 . 5 1 1 A 67 67 MET C C 64 176.724 177.613 -0.889 1
1 776 . 5 1 1 A 67 67 MET CA C 64 55.944 55.428 0.516 1
1 777 . 5 1 1 A 67 67 MET CB C 64 31.826 34.227 -2.401 1
1 780 . 5 1 1 A 67 67 MET N N 64 118.533 116.723 1.810 1
1 781 . 5 1 1 A 68 68 ARG H H 65 7.604 8.032 -0.428 1
1 782 . 5 1 1 A 68 68 ARG HA H 65 4.197 4.233 -0.036 1
1 789 . 5 1 1 A 68 68 ARG C C 65 175.530 176.091 -0.561 1
1 790 . 5 1 1 A 68 68 ARG CA C 65 56.028 57.862 -1.834 1
1 791 . 5 1 1 A 68 68 ARG CB C 65 30.760 30.648 0.112 1
1 794 . 5 1 1 A 68 68 ARG N N 65 118.706 118.118 0.588 1
1 795 . 5 1 1 A 69 69 ALA H H 66 7.634 7.490 0.144 1
1 796 . 5 1 1 A 69 69 ALA HA H 66 4.254 4.863 -0.609 1
1 800 . 5 1 1 A 69 69 ALA C C 66 176.846 174.820 2.026 1
1 801 . 5 1 1 A 69 69 ALA CA C 66 51.905 50.684 1.221 1
1 802 . 5 1 1 A 69 69 ALA CB C 66 20.023 23.153 -3.130 1
1 803 . 5 1 1 A 69 69 ALA N N 66 123.528 119.668 3.860 1
1 804 . 5 1 1 A 70 70 GLU H H 67 8.192 8.695 -0.503 1
1 805 . 5 1 1 A 70 70 GLU HA H 67 4.228 4.535 -0.307 1
1 810 . 5 1 1 A 70 70 GLU C C 67 176.333 176.251 0.082 1
1 811 . 5 1 1 A 70 70 GLU CA C 67 55.928 55.656 0.272 1
1 812 . 5 1 1 A 70 70 GLU CB C 67 30.769 30.993 -0.224 1
1 814 . 5 1 1 A 70 70 GLU N N 67 120.599 121.200 -0.601 1
1 815 . 5 1 1 A 71 71 ARG H H 68 8.674 8.428 0.246 1
1 816 . 5 1 1 A 71 71 ARG HA H 68 3.696 4.138 -0.442 1
1 823 . 5 1 1 A 71 71 ARG C C 68 175.422 175.306 0.116 1
1 824 . 5 1 1 A 71 71 ARG CA C 68 56.964 56.288 0.676 1
1 825 . 5 1 1 A 71 71 ARG CB C 68 30.886 30.235 0.651 1
1 828 . 5 1 1 A 71 71 ARG N N 68 123.533 123.663 -0.130 1
1 829 . 5 1 1 A 72 72 ARG H H 69 7.660 8.585 -0.925 1
1 830 . 5 1 1 A 72 72 ARG HA H 69 4.642 4.860 -0.218 1
1 837 . 5 1 1 A 72 72 ARG C C 69 175.051 175.583 -0.532 1
1 838 . 5 1 1 A 72 72 ARG CA C 69 54.297 55.217 -0.920 1
1 839 . 5 1 1 A 72 72 ARG CB C 69 33.555 31.745 1.810 1
1 842 . 5 1 1 A 72 72 ARG N N 69 120.057 124.612 -4.555 1
1 843 . 5 1 1 A 73 73 PHE H H 70 8.714 8.678 0.036 1
1 844 . 5 1 1 A 73 73 PHE HA H 70 5.020 5.062 -0.042 1
1 852 . 5 1 1 A 73 73 PHE C C 70 173.159 174.749 -1.590 1
1 853 . 5 1 1 A 73 73 PHE CA C 70 57.359 57.061 0.298 1
1 854 . 5 1 1 A 73 73 PHE CB C 70 43.426 42.468 0.958 1
1 860 . 5 1 1 A 73 73 PHE N N 70 119.519 123.263 -3.744 1
1 861 . 5 1 1 A 74 74 GLU H H 71 9.404 9.174 0.230 1
1 862 . 5 1 1 A 74 74 GLU HA H 71 4.996 5.004 -0.008 1
1 867 . 5 1 1 A 74 74 GLU C C 71 175.559 174.797 0.762 1
1 868 . 5 1 1 A 74 74 GLU CA C 71 52.975 54.864 -1.889 1
1 869 . 5 1 1 A 74 74 GLU CB C 71 33.399 33.871 -0.472 1
1 871 . 5 1 1 A 74 74 GLU N N 71 117.679 118.110 -0.431 1
1 872 . 5 1 1 A 75 75 THR H H 72 9.801 9.064 0.737 1
1 873 . 5 1 1 A 75 75 THR HA H 72 4.108 4.691 -0.583 1
1 878 . 5 1 1 A 75 75 THR C C 72 175.065 174.007 1.058 1
1 879 . 5 1 1 A 75 75 THR CA C 72 64.296 62.590 1.706 1
1 880 . 5 1 1 A 75 75 THR CB C 72 67.635 68.368 -0.733 1
1 882 . 5 1 1 A 75 75 THR N N 72 122.320 118.124 4.196 1
1 883 . 5 1 1 A 76 76 ARG H H 73 9.150 8.820 0.330 1
1 884 . 5 1 1 A 76 76 ARG HA H 73 4.283 4.315 -0.032 1
1 892 . 5 1 1 A 76 76 ARG C C 73 176.574 176.552 0.022 1
1 893 . 5 1 1 A 76 76 ARG CA C 73 55.858 58.305 -2.447 1
1 894 . 5 1 1 A 76 76 ARG CB C 73 30.930 30.991 -0.061 1
1 897 . 5 1 1 A 76 76 ARG N N 73 127.709 127.828 -0.119 1
1 899 . 5 1 1 A 77 77 LEU H H 74 7.520 7.330 0.190 1
1 900 . 5 1 1 A 77 77 LEU HA H 74 4.480 4.920 -0.440 1
1 910 . 5 1 1 A 77 77 LEU C C 74 174.509 175.331 -0.822 1
1 911 . 5 1 1 A 77 77 LEU CA C 74 54.222 53.129 1.093 1
1 912 . 5 1 1 A 77 77 LEU CB C 74 47.315 45.701 1.614 1
1 916 . 5 1 1 A 77 77 LEU N N 74 117.021 118.183 -1.162 1
1 917 . 5 1 1 A 78 78 ALA H H 75 8.600 8.428 0.172 1
1 918 . 5 1 1 A 78 78 ALA HA H 75 4.999 4.665 0.334 1
1 922 . 5 1 1 A 78 78 ALA C C 75 176.343 177.371 -1.028 1
1 923 . 5 1 1 A 78 78 ALA CA C 75 50.324 51.442 -1.118 1
1 924 . 5 1 1 A 78 78 ALA CB C 75 21.074 21.685 -0.611 1
1 925 . 5 1 1 A 78 78 ALA N N 75 124.663 123.057 1.606 1
1 926 . 5 1 1 A 79 79 GLY H H 76 8.730 8.700 0.030 1
1 927 . 5 1 1 A 79 79 GLY HA2 H 76 3.706 3.847 -0.141 1
1 928 . 5 1 1 A 79 79 GLY HA3 H 76 3.306 3.848 -0.542 1
1 929 . 5 1 1 A 79 79 GLY C C 76 175.173 173.887 1.286 1
1 930 . 5 1 1 A 79 79 GLY CA C 76 47.520 46.594 0.926 1
1 931 . 5 1 1 A 79 79 GLY N N 76 114.411 111.476 2.935 1
1 932 . 5 1 1 A 80 80 VAL H H 77 8.380 7.790 0.590 1
1 933 . 5 1 1 A 80 80 VAL HA H 77 4.643 4.736 -0.093 1
1 941 . 5 1 1 A 80 80 VAL C C 77 175.208 175.372 -0.164 1
1 942 . 5 1 1 A 80 80 VAL CA C 77 59.289 59.478 -0.189 1
1 943 . 5 1 1 A 80 80 VAL CB C 77 34.226 34.691 -0.465 1
1 946 . 5 1 1 A 80 80 VAL N N 77 112.611 116.568 -3.957 1
1 947 . 5 1 1 A 81 81 GLU H H 78 8.415 8.565 -0.150 1
1 948 . 5 1 1 A 81 81 GLU HA H 78 4.451 4.483 -0.032 1
1 953 . 5 1 1 A 81 81 GLU C C 78 178.955 177.878 1.077 1
1 954 . 5 1 1 A 81 81 GLU CA C 78 55.631 55.022 0.609 1
1 955 . 5 1 1 A 81 81 GLU CB C 78 30.535 30.374 0.161 1
1 957 . 5 1 1 A 81 81 GLU N N 78 117.186 121.738 -4.552 1
1 958 . 5 1 1 A 82 82 GLY H H 79 8.834 8.736 0.098 1
1 959 . 5 1 1 A 82 82 GLY HA2 H 79 3.810 3.854 -0.044 1
1 960 . 5 1 1 A 82 82 GLY HA3 H 79 3.518 3.856 -0.338 1
1 961 . 5 1 1 A 82 82 GLY C C 79 176.446 175.702 0.744 1
1 962 . 5 1 1 A 82 82 GLY CA C 79 47.629 46.980 0.649 1
1 963 . 5 1 1 A 82 82 GLY N N 79 109.312 108.291 1.021 1
1 964 . 5 1 1 A 83 83 GLU H H 80 8.747 8.233 0.514 1
1 965 . 5 1 1 A 83 83 GLU HA H 80 3.972 4.026 -0.054 1
1 970 . 5 1 1 A 83 83 GLU C C 80 179.046 179.296 -0.250 1
1 971 . 5 1 1 A 83 83 GLU CA C 80 59.403 59.423 -0.020 1
1 972 . 5 1 1 A 83 83 GLU CB C 80 29.005 29.282 -0.277 1
1 974 . 5 1 1 A 83 83 GLU N N 80 119.416 121.633 -2.217 1
1 975 . 5 1 1 A 84 84 GLU H H 81 7.588 7.751 -0.163 1
1 976 . 5 1 1 A 84 84 GLU HA H 81 4.003 4.081 -0.078 1
1 981 . 5 1 1 A 84 84 GLU C C 81 179.682 179.436 0.246 1
1 982 . 5 1 1 A 84 84 GLU CA C 81 59.213 59.084 0.129 1
1 983 . 5 1 1 A 84 84 GLU CB C 81 29.473 29.316 0.157 1
1 985 . 5 1 1 A 84 84 GLU N N 81 120.110 118.920 1.190 1
1 986 . 5 1 1 A 85 85 ILE H H 82 6.936 7.692 -0.756 1
1 987 . 5 1 1 A 85 85 ILE HA H 82 3.356 3.642 -0.286 1
1 997 . 5 1 1 A 85 85 ILE C C 82 177.308 177.869 -0.561 1
1 998 . 5 1 1 A 85 85 ILE CA C 82 64.055 65.867 -1.812 1
1 999 . 5 1 1 A 85 85 ILE CB C 82 36.836 39.033 -2.197 1
1 1003 . 5 1 1 A 85 85 ILE N N 82 120.268 121.219 -0.951 1
1 1004 . 5 1 1 A 86 86 ALA H H 83 8.292 8.479 -0.187 1
1 1005 . 5 1 1 A 86 86 ALA HA H 83 3.787 3.997 -0.210 1
1 1009 . 5 1 1 A 86 86 ALA C C 83 180.345 179.760 0.585 1
1 1010 . 5 1 1 A 86 86 ALA CA C 83 55.103 55.288 -0.185 1
1 1011 . 5 1 1 A 86 86 ALA CB C 83 17.928 18.191 -0.263 1
1 1012 . 5 1 1 A 86 86 ALA N N 83 121.052 121.681 -0.629 1
1 1013 . 5 1 1 A 87 87 ALA H H 84 7.516 7.854 -0.338 1
1 1014 . 5 1 1 A 87 87 ALA HA H 84 4.006 4.115 -0.109 1
1 1018 . 5 1 1 A 87 87 ALA C C 84 180.272 179.244 1.028 1
1 1019 . 5 1 1 A 87 87 ALA CA C 84 54.765 55.097 -0.332 1
1 1020 . 5 1 1 A 87 87 ALA CB C 84 17.949 17.951 -0.002 1
1 1021 . 5 1 1 A 87 87 ALA N N 84 119.052 120.341 -1.289 1
1 1022 . 5 1 1 A 88 88 LEU H H 85 7.285 7.497 -0.212 1
1 1023 . 5 1 1 A 88 88 LEU HA H 85 4.042 4.131 -0.089 1
1 1033 . 5 1 1 A 88 88 LEU C C 85 174.921 178.714 -3.793 1
1 1034 . 5 1 1 A 88 88 LEU CA C 85 58.290 57.199 1.091 1
1 1035 . 5 1 1 A 88 88 LEU CB C 85 41.610 42.097 -0.487 1
1 1039 . 5 1 1 A 88 88 LEU N N 85 121.211 119.113 2.098 1
1 1040 . 5 1 1 A 89 89 LEU H H 86 8.472 8.264 0.208 1
1 1041 . 5 1 1 A 89 89 LEU HA H 86 3.486 3.857 -0.371 1
1 1051 . 5 1 1 A 89 89 LEU C C 86 178.855 179.569 -0.714 1
1 1052 . 5 1 1 A 89 89 LEU CA C 86 57.476 57.145 0.331 1
1 1053 . 5 1 1 A 89 89 LEU CB C 86 41.478 40.997 0.481 1
1 1057 . 5 1 1 A 89 89 LEU N N 86 118.740 118.327 0.413 1
1 1058 . 5 1 1 A 90 90 GLU H H 87 7.926 8.774 -0.848 1
1 1059 . 5 1 1 A 90 90 GLU HA H 87 3.726 4.012 -0.286 1
1 1064 . 5 1 1 A 90 90 GLU C C 87 178.738 178.416 0.322 1
1 1065 . 5 1 1 A 90 90 GLU CA C 87 59.511 59.134 0.377 1
1 1066 . 5 1 1 A 90 90 GLU CB C 87 28.855 29.046 -0.191 1
1 1068 . 5 1 1 A 90 90 GLU N N 87 119.669 118.086 1.583 1
1 1069 . 5 1 1 A 91 91 ARG H H 88 7.069 7.640 -0.571 1
1 1070 . 5 1 1 A 91 91 ARG HA H 88 3.762 4.154 -0.392 1
1 1077 . 5 1 1 A 91 91 ARG C C 88 178.920 178.649 0.271 1
1 1078 . 5 1 1 A 91 91 ARG CA C 88 59.544 58.832 0.712 1
1 1079 . 5 1 1 A 91 91 ARG CB C 88 29.723 29.926 -0.203 1
1 1082 . 5 1 1 A 91 91 ARG N N 88 119.088 119.308 -0.220 1
1 1083 . 5 1 1 A 92 92 GLU H H 89 8.170 8.096 0.074 1
1 1084 . 5 1 1 A 92 92 GLU HA H 89 4.021 4.092 -0.071 1
1 1089 . 5 1 1 A 92 92 GLU C C 89 180.250 179.546 0.704 1
1 1090 . 5 1 1 A 92 92 GLU CA C 89 58.661 58.813 -0.152 1
1 1091 . 5 1 1 A 92 92 GLU CB C 89 28.073 29.149 -1.076 1
1 1093 . 5 1 1 A 92 92 GLU N N 89 117.768 119.702 -1.934 1
1 1094 . 5 1 1 A 93 93 ARG H H 90 8.355 7.850 0.505 1
1 1095 . 5 1 1 A 93 93 ARG HA H 90 4.003 4.191 -0.188 1
1 1102 . 5 1 1 A 93 93 ARG C C 90 177.592 178.558 -0.966 1
1 1103 . 5 1 1 A 93 93 ARG CA C 90 57.744 58.964 -1.220 1
1 1104 . 5 1 1 A 93 93 ARG CB C 90 30.325 29.895 0.430 1
1 1107 . 5 1 1 A 93 93 ARG N N 90 119.179 118.959 0.220 1
1 1108 . 5 1 1 A 94 94 ARG H H 91 7.232 7.686 -0.454 1
1 1109 . 5 1 1 A 94 94 ARG HA H 91 3.788 4.025 -0.237 1
1 1116 . 5 1 1 A 94 94 ARG C C 91 177.986 178.521 -0.535 1
1 1117 . 5 1 1 A 94 94 ARG CA C 91 58.462 59.021 -0.559 1
1 1118 . 5 1 1 A 94 94 ARG CB C 91 29.565 29.944 -0.379 1
1 1121 . 5 1 1 A 94 94 ARG N N 91 118.441 120.091 -1.650 1
1 1122 . 5 1 1 A 95 95 PHE H H 92 7.048 7.513 -0.465 1
1 1123 . 5 1 1 A 95 95 PHE HA H 92 4.474 4.311 0.163 1
1 1128 . 5 1 1 A 95 95 PHE C C 92 175.728 175.069 0.659 1
1 1129 . 5 1 1 A 95 95 PHE CA C 92 58.210 59.511 -1.301 1
1 1130 . 5 1 1 A 95 95 PHE CB C 92 39.724 39.975 -0.251 1
1 1133 . 5 1 1 A 95 95 PHE N N 92 115.951 120.570 -4.619 1
1 1134 . 5 1 1 A 96 96 ASP H H 93 7.793 7.919 -0.126 1
1 1135 . 5 1 1 A 96 96 ASP HA H 93 4.703 4.719 -0.016 1
1 1138 . 5 1 1 A 96 96 ASP C C 93 179.474 175.816 3.658 1
1 1139 . 5 1 1 A 96 96 ASP CA C 93 53.103 54.077 -0.974 1
1 1140 . 5 1 1 A 96 96 ASP CB C 93 41.634 42.051 -0.417 1
1 1141 . 5 1 1 A 96 96 ASP N N 93 119.328 118.635 0.693 1
1 1142 . 5 1 1 A 97 97 SER H H 94 8.490 8.841 -0.351 1
1 1143 . 5 1 1 A 97 97 SER HA H 94 4.204 4.441 -0.237 1
1 1146 . 5 1 1 A 97 97 SER C C 94 175.549 174.754 0.795 1
1 1147 . 5 1 1 A 97 97 SER CA C 94 60.047 59.449 0.598 1
1 1148 . 5 1 1 A 97 97 SER CB C 94 63.408 63.057 0.351 1
1 1149 . 5 1 1 A 97 97 SER N N 94 118.740 120.967 -2.227 1
1 1150 . 5 1 1 A 98 98 ASP H H 95 8.229 8.001 0.228 1
1 1151 . 5 1 1 A 98 98 ASP HA H 95 4.684 4.697 -0.013 1
1 1154 . 5 1 1 A 98 98 ASP C C 95 175.547 175.841 -0.294 1
1 1155 . 5 1 1 A 98 98 ASP CA C 95 54.380 54.277 0.103 1
1 1156 . 5 1 1 A 98 98 ASP CB C 95 42.267 41.315 0.952 1
1 1157 . 5 1 1 A 98 98 ASP N N 95 121.306 120.161 1.145 1
1 1158 . 5 1 1 A 99 99 LEU H H 96 6.613 7.355 -0.742 1
1 1159 . 5 1 1 A 99 99 LEU HA H 96 4.801 5.127 -0.326 1
1 1169 . 5 1 1 A 99 99 LEU C C 96 176.224 176.399 -0.175 1
1 1170 . 5 1 1 A 99 99 LEU CA C 96 55.691 53.853 1.838 1
1 1171 . 5 1 1 A 99 99 LEU CB C 96 42.272 43.509 -1.237 1
1 1175 . 5 1 1 A 99 99 LEU N N 96 117.774 118.178 -0.404 1
1 1176 . 5 1 1 A 100 100 TRP H H 97 9.750 9.287 0.463 1
1 1177 . 5 1 1 A 100 100 TRP HA H 97 4.757 5.549 -0.792 1
1 1186 . 5 1 1 A 100 100 TRP C C 97 176.737 175.376 1.361 1
1 1187 . 5 1 1 A 100 100 TRP CA C 97 55.634 55.425 0.209 1
1 1188 . 5 1 1 A 100 100 TRP CB C 97 31.794 31.274 0.520 1
1 1194 . 5 1 1 A 100 100 TRP N N 97 120.649 120.807 -0.158 1
1 1196 . 5 1 1 A 101 101 VAL H H 98 9.096 8.895 0.201 1
1 1197 . 5 1 1 A 101 101 VAL HA H 98 5.018 5.244 -0.226 1
1 1205 . 5 1 1 A 101 101 VAL C C 98 175.816 175.431 0.385 1
1 1206 . 5 1 1 A 101 101 VAL CA C 98 61.998 62.332 -0.334 1
1 1207 . 5 1 1 A 101 101 VAL CB C 98 34.180 32.458 1.722 1
1 1210 . 5 1 1 A 101 101 VAL N N 98 117.960 123.995 -6.035 1
1 1211 . 5 1 1 A 102 102 VAL H H 99 9.113 8.941 0.172 1
1 1212 . 5 1 1 A 102 102 VAL HA H 99 4.546 4.715 -0.169 1
1 1220 . 5 1 1 A 102 102 VAL C C 99 173.388 174.822 -1.434 1
1 1221 . 5 1 1 A 102 102 VAL CA C 99 60.987 61.354 -0.367 1
1 1222 . 5 1 1 A 102 102 VAL CB C 99 34.654 34.052 0.602 1
1 1225 . 5 1 1 A 102 102 VAL N N 99 129.775 128.616 1.159 1
1 1226 . 5 1 1 A 103 103 GLU H H 100 9.226 8.693 0.533 1
1 1227 . 5 1 1 A 103 103 GLU HA H 100 5.376 4.712 0.664 1
1 1232 . 5 1 1 A 103 103 GLU C C 100 175.058 176.323 -1.265 1
1 1233 . 5 1 1 A 103 103 GLU CA C 100 54.158 55.868 -1.710 1
1 1234 . 5 1 1 A 103 103 GLU CB C 100 31.835 30.117 1.718 1
1 1236 . 5 1 1 A 103 103 GLU N N 100 128.249 126.816 1.433 1
1 1237 . 5 1 1 A 104 104 ILE H H 101 9.141 8.972 0.169 1
1 1238 . 5 1 1 A 104 104 ILE HA H 101 5.021 5.092 -0.071 1
1 1248 . 5 1 1 A 104 104 ILE C C 101 173.727 174.587 -0.860 1
1 1249 . 5 1 1 A 104 104 ILE CA C 101 59.226 59.130 0.096 1
1 1250 . 5 1 1 A 104 104 ILE CB C 101 42.192 40.145 2.047 1
1 1254 . 5 1 1 A 104 104 ILE N N 101 118.638 121.182 -2.544 1
1 1255 . 5 1 1 A 105 105 GLU H H 102 9.018 8.878 0.140 1
1 1256 . 5 1 1 A 105 105 GLU HA H 102 4.800 5.147 -0.347 1
1 1261 . 5 1 1 A 105 105 GLU C C 102 174.832 174.915 -0.083 1
1 1262 . 5 1 1 A 105 105 GLU CA C 102 55.362 56.017 -0.655 1
1 1263 . 5 1 1 A 105 105 GLU CB C 102 31.160 32.328 -1.168 1
1 1265 . 5 1 1 A 105 105 GLU N N 102 125.842 122.286 3.556 1
1 1266 . 5 1 1 A 106 106 THR H H 103 7.678 8.307 -0.629 1
1 1267 . 5 1 1 A 106 106 THR HA H 103 4.424 4.868 -0.444 1
1 1272 . 5 1 1 A 106 106 THR C C 103 172.175 172.544 -0.369 1
1 1273 . 5 1 1 A 106 106 THR CA C 103 60.772 60.591 0.181 1
1 1274 . 5 1 1 A 106 106 THR CB C 103 67.599 69.614 -2.015 1
1 1276 . 5 1 1 A 106 106 THR N N 103 118.569 119.415 -0.846 1
1 1277 . 5 1 1 A 107 107 ASP H H 104 8.400 9.001 -0.601 1
1 1278 . 5 1 1 A 107 107 ASP HA H 104 4.635 4.652 -0.017 1
1 1281 . 5 1 1 A 107 107 ASP C C 104 176.214 175.894 0.320 1
1 1282 . 5 1 1 A 107 107 ASP CA C 104 55.771 54.575 1.196 1
1 1283 . 5 1 1 A 107 107 ASP CB C 104 41.463 41.865 -0.402 1
1 1284 . 5 1 1 A 107 107 ASP N N 104 125.388 124.760 0.628 1
1 1285 . 5 1 1 A 108 108 GLU H H 105 7.995 7.388 0.607 1
1 1286 . 5 1 1 A 108 108 GLU HA H 105 4.524 4.843 -0.319 1
1 1291 . 5 1 1 A 108 108 GLU C C 105 175.340 175.927 -0.587 1
1 1292 . 5 1 1 A 108 108 GLU CA C 105 54.564 55.002 -0.438 1
1 1293 . 5 1 1 A 108 108 GLU CB C 105 30.953 32.072 -1.119 1
1 1295 . 5 1 1 A 108 108 GLU N N 105 120.222 116.659 3.563 1
1 1296 . 5 1 1 A 109 109 ILE H H 106 8.389 8.639 -0.250 1
1 1297 . 5 1 1 A 109 109 ILE HA H 106 3.853 4.198 -0.345 1
1 1307 . 5 1 1 A 109 109 ILE C C 106 176.324 177.839 -1.515 1
1 1308 . 5 1 1 A 109 109 ILE CA C 106 60.148 62.362 -2.214 1
1 1309 . 5 1 1 A 109 109 ILE CB C 106 38.950 40.124 -1.174 1
1 1313 . 5 1 1 A 109 109 ILE N N 106 124.088 122.562 1.526 1
1 1314 . 5 1 1 A 110 110 GLY H H 107 8.534 8.501 0.033 1
1 1315 . 5 1 1 A 110 110 GLY HA2 H 107 3.744 3.742 0.002 1
1 1316 . 5 1 1 A 110 110 GLY HA3 H 107 3.705 3.766 -0.061 1
1 1317 . 5 1 1 A 110 110 GLY C C 107 175.021 175.602 -0.581 1
1 1318 . 5 1 1 A 110 110 GLY CA C 107 46.530 47.257 -0.727 1
1 1319 . 5 1 1 A 110 110 GLY N N 107 109.224 109.317 -0.093 1
1 1320 . 5 1 1 A 111 111 THR H H 108 7.892 7.921 -0.029 1
1 1321 . 5 1 1 A 111 111 THR HA H 108 4.255 4.180 0.075 1
1 1326 . 5 1 1 A 111 111 THR C C 108 175.417 175.127 0.290 1
1 1327 . 5 1 1 A 111 111 THR CA C 108 61.287 64.073 -2.786 1
1 1328 . 5 1 1 A 111 111 THR CB C 108 68.657 68.961 -0.304 1
1 1330 . 5 1 1 A 111 111 THR N N 108 111.278 116.791 -5.513 1
1 1331 . 5 1 1 A 112 112 LEU H H 109 7.950 7.507 0.443 1
1 1332 . 5 1 1 A 112 112 LEU HA H 109 3.887 4.539 -0.652 1
1 1342 . 5 1 1 A 112 112 LEU C C 109 175.715 175.996 -0.281 1
1 1343 . 5 1 1 A 112 112 LEU CA C 109 56.661 53.988 2.673 1
1 1344 . 5 1 1 A 112 112 LEU CB C 109 43.310 43.720 -0.410 1
1 1348 . 5 1 1 A 112 112 LEU N N 109 122.017 114.830 7.187 1
1 1349 . 5 1 1 A 113 113 LEU H H 110 7.003 7.210 -0.207 1
1 1350 . 5 1 1 A 113 113 LEU HA H 110 4.327 4.545 -0.218 1
1 1360 . 5 1 1 A 113 113 LEU C C 110 175.563 173.956 1.607 1
1 1361 . 5 1 1 A 113 113 LEU CA C 110 52.377 54.398 -2.021 1
1 1362 . 5 1 1 A 113 113 LEU CB C 110 44.890 45.247 -0.357 1
1 1366 . 5 1 1 A 113 113 LEU N N 110 113.184 120.105 -6.921 1
1 1367 . 5 1 1 A 114 114 THR H H 111 9.101 8.677 0.424 1
1 1368 . 5 1 1 A 114 114 THR HA H 111 4.079 4.931 -0.852 1
1 1373 . 5 1 1 A 114 114 THR C C 111 173.117 173.763 -0.646 1
1 1374 . 5 1 1 A 114 114 THR CA C 111 62.838 61.923 0.915 1
1 1375 . 5 1 1 A 114 114 THR CB C 111 68.245 70.273 -2.028 1
1 1377 . 5 1 1 A 114 114 THR N N 111 119.602 122.087 -2.485 1
1 1378 . 5 1 1 A 115 115 LEU H H 112 8.461 8.777 -0.316 1
1 1379 . 5 1 1 A 115 115 LEU HA H 112 4.985 5.342 -0.357 1
1 1389 . 5 1 1 A 115 115 LEU C C 112 178.488 177.224 1.264 1
1 1390 . 5 1 1 A 115 115 LEU CA C 112 52.953 53.574 -0.621 1
1 1391 . 5 1 1 A 115 115 LEU CB C 112 43.316 45.367 -2.051 1
1 1395 . 5 1 1 A 115 115 LEU N N 112 129.372 126.871 2.501 1
1 1396 . 5 1 1 A 116 116 VAL H H 113 8.550 9.017 -0.467 1
1 1397 . 5 1 1 A 116 116 VAL HA H 113 4.141 3.892 0.249 1
1 1405 . 5 1 1 A 116 116 VAL C C 113 175.638 177.246 -1.608 1
1 1406 . 5 1 1 A 116 116 VAL CA C 113 61.559 64.889 -3.330 1
1 1407 . 5 1 1 A 116 116 VAL CB C 113 32.128 31.649 0.479 1
1 1410 . 5 1 1 A 116 116 VAL N N 113 117.300 122.038 -4.738 1
1 1411 . 5 1 1 A 117 117 ASP H H 114 8.095 7.975 0.120 1
1 1412 . 5 1 1 A 117 117 ASP HA H 114 4.561 4.493 0.068 1
1 1415 . 5 1 1 A 117 117 ASP C C 114 175.610 176.588 -0.978 1
1 1416 . 5 1 1 A 117 117 ASP CA C 114 53.586 56.609 -3.023 1
1 1417 . 5 1 1 A 117 117 ASP CB C 114 41.131 41.366 -0.235 1
1 1418 . 5 1 1 A 117 117 ASP N N 114 121.410 121.077 0.333 1
1 1419 . 5 1 1 A 118 118 GLN H H 115 8.048 7.817 0.231 1
1 1420 . 5 1 1 A 118 118 GLN HA H 115 4.539 4.509 0.030 1
1 1427 . 5 1 1 A 118 118 GLN CA C 115 53.464 54.326 -0.862 1
1 1428 . 5 1 1 A 118 118 GLN CB C 115 29.143 27.974 1.169 1
1 1430 . 5 1 1 A 118 118 GLN N N 115 120.387 118.068 2.319 1
1 1432 . 5 1 1 A 119 119 PRO HA H 116 4.314 4.552 -0.238 1
1 1439 . 5 1 1 A 119 119 PRO C C 116 176.819 176.678 0.141 1
1 1440 . 5 1 1 A 119 119 PRO CA C 116 63.073 62.475 0.598 1
1 1441 . 5 1 1 A 119 119 PRO CB C 116 32.117 32.210 -0.093 1
1 1444 . 5 1 1 A 120 120 GLN H H 117 8.404 8.382 0.022 1
1 1445 . 5 1 1 A 120 120 GLN HA H 117 4.172 4.691 -0.519 1
1 1452 . 5 1 1 A 120 120 GLN C C 117 174.745 175.206 -0.461 1
1 1453 . 5 1 1 A 120 120 GLN CA C 117 55.531 55.517 0.014 1
1 1454 . 5 1 1 A 120 120 GLN CB C 117 29.529 30.052 -0.523 1
1 1456 . 5 1 1 A 120 120 GLN N N 117 121.403 120.072 1.331 1
1 14 . 6 1 1 A 5 5 ARG H H 2 8.281 8.398 -0.117 1
1 15 . 6 1 1 A 5 5 ARG HA H 2 4.126 3.975 0.151 1
1 22 . 6 1 1 A 5 5 ARG C C 2 176.387 175.246 1.141 1
1 23 . 6 1 1 A 5 5 ARG CA C 2 56.556 56.735 -0.179 1
1 24 . 6 1 1 A 5 5 ARG CB C 2 30.698 28.717 1.981 1
1 27 . 6 1 1 A 5 5 ARG N N 2 123.269 110.808 12.461 1
1 28 . 6 1 1 A 6 6 LEU H H 3 8.527 7.830 0.697 1
1 29 . 6 1 1 A 6 6 LEU HA H 3 4.414 5.058 -0.644 1
1 39 . 6 1 1 A 6 6 LEU C C 3 178.040 175.699 2.341 1
1 40 . 6 1 1 A 6 6 LEU CA C 3 54.270 53.009 1.261 1
1 41 . 6 1 1 A 6 6 LEU CB C 3 43.612 46.095 -2.483 1
1 45 . 6 1 1 A 6 6 LEU N N 3 125.588 116.808 8.780 1
1 46 . 6 1 1 A 7 7 LYS H H 4 8.646 8.658 -0.012 1
1 47 . 6 1 1 A 7 7 LYS HA H 4 4.524 4.450 0.074 1
1 56 . 6 1 1 A 7 7 LYS C C 4 178.029 178.411 -0.382 1
1 57 . 6 1 1 A 7 7 LYS CA C 4 57.051 55.776 1.275 1
1 58 . 6 1 1 A 7 7 LYS CB C 4 32.877 33.392 -0.515 1
1 62 . 6 1 1 A 7 7 LYS N N 4 123.765 120.227 3.538 1
1 63 . 6 1 1 A 8 8 SER H H 5 8.316 8.432 -0.116 1
1 64 . 6 1 1 A 8 8 SER HA H 5 3.720 3.911 -0.191 1
1 67 . 6 1 1 A 8 8 SER C C 5 174.858 176.082 -1.224 1
1 68 . 6 1 1 A 8 8 SER CA C 5 63.553 61.910 1.643 1
1 69 . 6 1 1 A 8 8 SER CB C 5 62.382 62.543 -0.161 1
1 70 . 6 1 1 A 8 8 SER N N 5 122.163 116.228 5.935 1
1 71 . 6 1 1 A 9 9 GLU H H 6 8.913 8.087 0.826 1
1 72 . 6 1 1 A 9 9 GLU HA H 6 3.401 3.255 0.146 1
1 77 . 6 1 1 A 9 9 GLU C C 6 177.494 178.154 -0.660 1
1 78 . 6 1 1 A 9 9 GLU CA C 6 59.824 58.580 1.244 1
1 79 . 6 1 1 A 9 9 GLU CB C 6 29.780 29.031 0.749 1
1 81 . 6 1 1 A 9 9 GLU N N 6 118.372 121.792 -3.420 1
1 82 . 6 1 1 A 10 10 MET H H 7 6.642 7.883 -1.241 1
1 83 . 6 1 1 A 10 10 MET HA H 7 4.200 4.141 0.059 1
1 91 . 6 1 1 A 10 10 MET C C 7 178.173 178.112 0.061 1
1 92 . 6 1 1 A 10 10 MET CA C 7 57.360 58.167 -0.807 1
1 93 . 6 1 1 A 10 10 MET CB C 7 32.761 32.150 0.611 1
1 96 . 6 1 1 A 10 10 MET N N 7 117.318 118.976 -1.658 1
1 97 . 6 1 1 A 11 11 PHE H H 8 8.432 7.678 0.754 1
1 98 . 6 1 1 A 11 11 PHE HA H 8 3.718 4.107 -0.389 1
1 105 . 6 1 1 A 11 11 PHE C C 8 177.603 177.345 0.258 1
1 106 . 6 1 1 A 11 11 PHE CA C 8 61.845 61.239 0.606 1
1 107 . 6 1 1 A 11 11 PHE CB C 8 38.595 38.812 -0.217 1
1 112 . 6 1 1 A 11 11 PHE N N 8 122.099 120.776 1.323 1
1 113 . 6 1 1 A 12 12 VAL H H 9 8.133 7.858 0.275 1
1 114 . 6 1 1 A 12 12 VAL HA H 9 3.021 3.757 -0.736 1
1 122 . 6 1 1 A 12 12 VAL C C 9 176.668 177.887 -1.219 1
1 123 . 6 1 1 A 12 12 VAL CA C 9 67.353 65.322 2.031 1
1 124 . 6 1 1 A 12 12 VAL CB C 9 31.238 31.464 -0.226 1
1 127 . 6 1 1 A 12 12 VAL N N 9 119.317 119.119 0.198 1
1 128 . 6 1 1 A 13 13 SER H H 10 7.750 7.699 0.051 1
1 129 . 6 1 1 A 13 13 SER HA H 10 3.905 3.936 -0.031 1
1 132 . 6 1 1 A 13 13 SER C C 10 176.947 176.985 -0.038 1
1 133 . 6 1 1 A 13 13 SER CA C 10 61.775 61.463 0.312 1
1 134 . 6 1 1 A 13 13 SER CB C 10 62.483 62.839 -0.356 1
1 135 . 6 1 1 A 13 13 SER N N 10 114.115 116.949 -2.834 1
1 136 . 6 1 1 A 14 14 ALA H H 11 7.776 7.536 0.240 1
1 137 . 6 1 1 A 14 14 ALA HA H 11 3.860 4.087 -0.227 1
1 141 . 6 1 1 A 14 14 ALA C C 11 179.154 179.525 -0.371 1
1 142 . 6 1 1 A 14 14 ALA CA C 11 54.811 54.856 -0.045 1
1 143 . 6 1 1 A 14 14 ALA CB C 11 17.641 18.075 -0.434 1
1 144 . 6 1 1 A 14 14 ALA N N 11 123.170 123.222 -0.052 1
1 145 . 6 1 1 A 15 15 LEU H H 12 7.732 7.804 -0.072 1
1 146 . 6 1 1 A 15 15 LEU HA H 12 3.636 3.815 -0.179 1
1 156 . 6 1 1 A 15 15 LEU C C 12 177.617 178.727 -1.110 1
1 157 . 6 1 1 A 15 15 LEU CA C 12 57.790 57.402 0.388 1
1 158 . 6 1 1 A 15 15 LEU CB C 12 41.352 41.309 0.043 1
1 162 . 6 1 1 A 15 15 LEU N N 12 121.171 119.495 1.676 1
1 163 . 6 1 1 A 16 16 ILE H H 13 8.037 7.913 0.124 1
1 164 . 6 1 1 A 16 16 ILE HA H 13 3.061 3.598 -0.537 1
1 174 . 6 1 1 A 16 16 ILE C C 13 177.708 178.000 -0.292 1
1 175 . 6 1 1 A 16 16 ILE CA C 13 65.872 65.153 0.719 1
1 176 . 6 1 1 A 16 16 ILE CB C 13 37.704 37.417 0.287 1
1 180 . 6 1 1 A 16 16 ILE N N 13 117.849 120.104 -2.255 1
1 181 . 6 1 1 A 17 17 ARG H H 14 7.537 7.770 -0.233 1
1 182 . 6 1 1 A 17 17 ARG HA H 14 3.980 3.963 0.017 1
1 189 . 6 1 1 A 17 17 ARG C C 14 179.876 178.971 0.905 1
1 190 . 6 1 1 A 17 17 ARG CA C 14 59.920 59.396 0.524 1
1 191 . 6 1 1 A 17 17 ARG CB C 14 29.995 29.545 0.450 1
1 194 . 6 1 1 A 17 17 ARG N N 14 117.366 120.661 -3.295 1
1 195 . 6 1 1 A 18 18 ARG H H 15 8.068 7.576 0.492 1
1 196 . 6 1 1 A 18 18 ARG HA H 15 3.868 4.007 -0.139 1
1 203 . 6 1 1 A 18 18 ARG C C 15 176.630 178.848 -2.218 1
1 204 . 6 1 1 A 18 18 ARG CA C 15 59.606 59.310 0.296 1
1 205 . 6 1 1 A 18 18 ARG CB C 15 30.327 30.224 0.103 1
1 208 . 6 1 1 A 18 18 ARG N N 15 119.713 119.175 0.538 1
1 209 . 6 1 1 A 19 19 VAL H H 16 8.259 7.527 0.732 1
1 210 . 6 1 1 A 19 19 VAL HA H 16 3.296 3.784 -0.488 1
1 218 . 6 1 1 A 19 19 VAL C C 16 177.306 178.195 -0.889 1
1 219 . 6 1 1 A 19 19 VAL CA C 16 66.667 65.359 1.308 1
1 220 . 6 1 1 A 19 19 VAL CB C 16 30.421 31.525 -1.104 1
1 223 . 6 1 1 A 19 19 VAL N N 16 121.385 116.520 4.865 1
1 224 . 6 1 1 A 20 20 PHE H H 17 8.014 7.917 0.097 1
1 225 . 6 1 1 A 20 20 PHE HA H 17 4.222 4.190 0.032 1
1 233 . 6 1 1 A 20 20 PHE C C 17 180.973 178.174 2.799 1
1 234 . 6 1 1 A 20 20 PHE CA C 17 61.988 61.718 0.270 1
1 235 . 6 1 1 A 20 20 PHE CB C 17 38.553 38.016 0.537 1
1 241 . 6 1 1 A 20 20 PHE N N 17 118.811 120.366 -1.555 1
1 242 . 6 1 1 A 21 21 ALA H H 18 8.192 8.368 -0.176 1
1 243 . 6 1 1 A 21 21 ALA HA H 18 4.096 4.072 0.024 1
1 247 . 6 1 1 A 21 21 ALA C C 18 178.425 180.281 -1.856 1
1 248 . 6 1 1 A 21 21 ALA CA C 18 54.716 54.865 -0.149 1
1 249 . 6 1 1 A 21 21 ALA CB C 18 17.752 18.051 -0.299 1
1 250 . 6 1 1 A 21 21 ALA N N 18 122.995 122.120 0.875 1
1 251 . 6 1 1 A 22 22 ALA H H 19 7.256 7.390 -0.134 1
1 252 . 6 1 1 A 22 22 ALA HA H 19 4.356 4.300 0.056 1
1 256 . 6 1 1 A 22 22 ALA C C 19 177.665 177.609 0.056 1
1 257 . 6 1 1 A 22 22 ALA CA C 19 51.629 52.325 -0.696 1
1 258 . 6 1 1 A 22 22 ALA CB C 19 18.554 19.447 -0.893 1
1 259 . 6 1 1 A 22 22 ALA N N 19 118.872 117.488 1.384 1
1 260 . 6 1 1 A 23 23 GLY H H 20 7.774 7.858 -0.084 1
1 261 . 6 1 1 A 23 23 GLY HA2 H 20 4.207 3.980 0.227 1
1 262 . 6 1 1 A 23 23 GLY HA3 H 20 3.762 3.983 -0.221 1
1 263 . 6 1 1 A 23 23 GLY C C 20 174.779 174.938 -0.159 1
1 264 . 6 1 1 A 23 23 GLY CA C 20 45.347 45.097 0.250 1
1 265 . 6 1 1 A 23 23 GLY N N 20 106.718 106.353 0.365 1
1 266 . 6 1 1 A 24 24 GLY H H 21 7.795 7.885 -0.090 1
1 267 . 6 1 1 A 24 24 GLY HA2 H 21 4.538 3.987 0.551 1
1 268 . 6 1 1 A 24 24 GLY HA3 H 21 3.306 3.989 -0.683 1
1 269 . 6 1 1 A 24 24 GLY C C 21 171.187 172.222 -1.035 1
1 270 . 6 1 1 A 24 24 GLY CA C 21 43.665 44.068 -0.403 1
1 271 . 6 1 1 A 24 24 GLY N N 21 108.369 108.109 0.260 1
1 272 . 6 1 1 A 25 25 PHE H H 22 7.340 8.514 -1.174 1
1 273 . 6 1 1 A 25 25 PHE HA H 22 3.784 4.417 -0.633 1
1 280 . 6 1 1 A 25 25 PHE C C 22 172.423 173.310 -0.887 1
1 281 . 6 1 1 A 25 25 PHE CA C 22 56.434 56.164 0.270 1
1 282 . 6 1 1 A 25 25 PHE CB C 22 42.819 42.891 -0.072 1
1 287 . 6 1 1 A 25 25 PHE N N 22 117.754 119.575 -1.821 1
1 288 . 6 1 1 A 26 26 ALA H H 23 5.579 7.889 -2.310 1
1 289 . 6 1 1 A 26 26 ALA HA H 23 4.943 5.266 -0.323 1
1 293 . 6 1 1 A 26 26 ALA C C 23 173.842 175.352 -1.510 1
1 294 . 6 1 1 A 26 26 ALA CA C 23 50.257 51.100 -0.843 1
1 295 . 6 1 1 A 26 26 ALA CB C 23 25.150 23.797 1.353 1
1 296 . 6 1 1 A 26 26 ALA N N 23 126.477 126.251 0.226 1
1 297 . 6 1 1 A 27 27 ALA H H 24 8.723 8.261 0.462 1
1 298 . 6 1 1 A 27 27 ALA HA H 24 4.330 4.789 -0.459 1
1 302 . 6 1 1 A 27 27 ALA C C 24 175.543 176.020 -0.477 1
1 303 . 6 1 1 A 27 27 ALA CA C 24 51.545 51.897 -0.352 1
1 304 . 6 1 1 A 27 27 ALA CB C 24 22.974 22.516 0.458 1
1 305 . 6 1 1 A 27 27 ALA N N 24 118.178 120.023 -1.845 1
1 306 . 6 1 1 A 28 28 VAL H H 25 8.841 8.923 -0.082 1
1 307 . 6 1 1 A 28 28 VAL HA H 25 3.972 4.076 -0.104 1
1 315 . 6 1 1 A 28 28 VAL C C 25 175.547 175.345 0.202 1
1 316 . 6 1 1 A 28 28 VAL CA C 25 64.153 63.461 0.692 1
1 317 . 6 1 1 A 28 28 VAL CB C 25 31.951 31.064 0.887 1
1 320 . 6 1 1 A 28 28 VAL N N 25 120.857 124.064 -3.207 1
1 321 . 6 1 1 A 29 29 GLU H H 26 8.595 8.852 -0.257 1
1 322 . 6 1 1 A 29 29 GLU HA H 26 4.275 4.273 0.002 1
1 327 . 6 1 1 A 29 29 GLU C C 26 176.177 176.345 -0.168 1
1 328 . 6 1 1 A 29 29 GLU CA C 26 57.686 58.812 -1.126 1
1 329 . 6 1 1 A 29 29 GLU CB C 26 30.521 30.499 0.022 1
1 331 . 6 1 1 A 29 29 GLU N N 26 132.091 128.378 3.713 1
1 332 . 6 1 1 A 30 30 LYS H H 27 8.163 7.478 0.685 1
1 333 . 6 1 1 A 30 30 LYS HA H 27 4.352 4.813 -0.461 1
1 342 . 6 1 1 A 30 30 LYS C C 27 174.232 174.885 -0.653 1
1 343 . 6 1 1 A 30 30 LYS CA C 27 55.370 55.142 0.228 1
1 344 . 6 1 1 A 30 30 LYS CB C 27 36.138 34.777 1.361 1
1 348 . 6 1 1 A 30 30 LYS N N 27 119.899 119.199 0.700 1
1 349 . 6 1 1 A 31 31 LYS H H 28 8.603 8.548 0.055 1
1 350 . 6 1 1 A 31 31 LYS HA H 28 3.268 4.382 -1.114 1
1 359 . 6 1 1 A 31 31 LYS C C 28 175.170 174.853 0.317 1
1 360 . 6 1 1 A 31 31 LYS CA C 28 56.089 53.923 2.166 1
1 361 . 6 1 1 A 31 31 LYS CB C 28 32.386 35.562 -3.176 1
1 365 . 6 1 1 A 31 31 LYS N N 28 129.067 126.718 2.349 1
1 366 . 6 1 1 A 32 32 GLY H H 29 3.335 6.858 -3.523 1
1 367 . 6 1 1 A 32 32 GLY HA2 H 29 3.652 3.992 -0.340 1
1 368 . 6 1 1 A 32 32 GLY HA3 H 29 2.313 4.025 -1.712 1
1 369 . 6 1 1 A 32 32 GLY C C 29 172.863 173.166 -0.303 1
1 370 . 6 1 1 A 32 32 GLY CA C 29 43.344 44.766 -1.422 1
1 371 . 6 1 1 A 32 32 GLY N N 29 113.639 111.750 1.889 1
1 372 . 6 1 1 A 33 33 ALA H H 30 8.202 8.262 -0.060 1
1 373 . 6 1 1 A 33 33 ALA HA H 30 4.173 4.419 -0.246 1
1 377 . 6 1 1 A 33 33 ALA C C 30 181.026 178.837 2.189 1
1 378 . 6 1 1 A 33 33 ALA CA C 30 52.674 52.531 0.143 1
1 379 . 6 1 1 A 33 33 ALA CB C 30 19.020 19.264 -0.244 1
1 380 . 6 1 1 A 33 33 ALA N N 30 121.182 125.471 -4.289 1
1 381 . 6 1 1 A 34 34 GLU H H 31 9.313 9.102 0.211 1
1 382 . 6 1 1 A 34 34 GLU HA H 31 4.130 4.352 -0.222 1
1 387 . 6 1 1 A 34 34 GLU C C 31 177.137 178.631 -1.494 1
1 388 . 6 1 1 A 34 34 GLU CA C 31 61.214 59.434 1.780 1
1 389 . 6 1 1 A 34 34 GLU CB C 31 29.947 29.614 0.333 1
1 391 . 6 1 1 A 34 34 GLU N N 31 126.206 125.163 1.043 1
1 392 . 6 1 1 A 35 35 ALA H H 32 8.614 7.979 0.635 1
1 393 . 6 1 1 A 35 35 ALA HA H 32 4.377 4.356 0.021 1
1 397 . 6 1 1 A 35 35 ALA C C 32 180.260 177.970 2.290 1
1 398 . 6 1 1 A 35 35 ALA CA C 32 55.118 54.084 1.034 1
1 399 . 6 1 1 A 35 35 ALA CB C 32 18.192 19.599 -1.407 1
1 400 . 6 1 1 A 35 35 ALA N N 32 119.251 121.306 -2.055 1
1 401 . 6 1 1 A 36 36 ALA H H 33 8.467 7.910 0.557 1
1 402 . 6 1 1 A 36 36 ALA HA H 33 4.612 4.481 0.131 1
1 406 . 6 1 1 A 36 36 ALA C C 33 177.468 177.282 0.186 1
1 407 . 6 1 1 A 36 36 ALA CA C 33 51.190 51.270 -0.080 1
1 408 . 6 1 1 A 36 36 ALA CB C 33 19.451 19.112 0.339 1
1 409 . 6 1 1 A 36 36 ALA N N 33 120.927 116.678 4.249 1
1 410 . 6 1 1 A 37 37 GLY H H 34 7.445 8.003 -0.558 1
1 411 . 6 1 1 A 37 37 GLY HA2 H 34 4.143 4.165 -0.022 1
1 412 . 6 1 1 A 37 37 GLY HA3 H 34 4.010 4.334 -0.324 1
1 413 . 6 1 1 A 37 37 GLY C C 34 174.885 173.511 1.374 1
1 414 . 6 1 1 A 37 37 GLY CA C 34 46.790 45.206 1.584 1
1 415 . 6 1 1 A 37 37 GLY N N 34 105.715 107.104 -1.389 1
1 416 . 6 1 1 A 38 38 ALA H H 35 9.722 8.415 1.307 1
1 417 . 6 1 1 A 38 38 ALA HA H 35 4.053 4.371 -0.318 1
1 421 . 6 1 1 A 38 38 ALA CA C 35 52.676 52.354 0.322 1
1 422 . 6 1 1 A 38 38 ALA CB C 35 20.069 19.784 0.285 1
1 423 . 6 1 1 A 38 38 ALA N N 35 131.782 122.621 9.161 1
1 424 . 6 1 1 A 39 39 ILE H H 36 7.776 8.448 -0.672 1
1 425 . 6 1 1 A 39 39 ILE HA H 36 4.533 4.977 -0.444 1
1 435 . 6 1 1 A 39 39 ILE C C 36 172.754 174.712 -1.958 1
1 436 . 6 1 1 A 39 39 ILE CA C 36 61.429 60.764 0.665 1
1 437 . 6 1 1 A 39 39 ILE CB C 36 40.275 40.634 -0.359 1
1 441 . 6 1 1 A 39 39 ILE N N 36 119.692 121.313 -1.621 1
1 442 . 6 1 1 A 40 40 PHE H H 37 8.513 9.414 -0.901 1
1 443 . 6 1 1 A 40 40 PHE HA H 37 5.242 5.806 -0.564 1
1 448 . 6 1 1 A 40 40 PHE C C 37 175.559 174.438 1.121 1
1 449 . 6 1 1 A 40 40 PHE CA C 37 56.375 56.770 -0.395 1
1 450 . 6 1 1 A 40 40 PHE CB C 37 41.794 40.670 1.124 1
1 453 . 6 1 1 A 40 40 PHE N N 37 123.003 125.858 -2.855 1
1 454 . 6 1 1 A 41 41 VAL H H 38 8.898 9.118 -0.220 1
1 455 . 6 1 1 A 41 41 VAL HA H 38 4.981 5.009 -0.028 1
1 463 . 6 1 1 A 41 41 VAL C C 38 174.233 175.269 -1.036 1
1 464 . 6 1 1 A 41 41 VAL CA C 38 60.287 61.305 -1.018 1
1 465 . 6 1 1 A 41 41 VAL CB C 38 35.122 33.691 1.431 1
1 468 . 6 1 1 A 41 41 VAL N N 38 120.239 123.522 -3.283 1
1 469 . 6 1 1 A 42 42 ARG H H 39 9.399 9.014 0.385 1
1 470 . 6 1 1 A 42 42 ARG HA H 39 5.094 5.330 -0.236 1
1 478 . 6 1 1 A 42 42 ARG C C 39 173.198 174.670 -1.472 1
1 479 . 6 1 1 A 42 42 ARG CA C 39 54.067 55.159 -1.092 1
1 480 . 6 1 1 A 42 42 ARG CB C 39 33.430 32.205 1.225 1
1 483 . 6 1 1 A 42 42 ARG N N 39 129.107 125.657 3.450 1
1 485 . 6 1 1 A 43 43 GLN H H 40 9.402 8.640 0.762 1
1 486 . 6 1 1 A 43 43 GLN HA H 40 5.371 4.850 0.521 1
1 493 . 6 1 1 A 43 43 GLN C C 40 174.278 175.133 -0.855 1
1 494 . 6 1 1 A 43 43 GLN CA C 40 52.778 55.097 -2.319 1
1 495 . 6 1 1 A 43 43 GLN CB C 40 31.703 30.051 1.652 1
1 497 . 6 1 1 A 43 43 GLN N N 40 127.936 124.792 3.144 1
1 499 . 6 1 1 A 44 44 ARG H H 41 8.875 8.956 -0.081 1
1 500 . 6 1 1 A 44 44 ARG HA H 41 4.488 4.678 -0.190 1
1 507 . 6 1 1 A 44 44 ARG C C 41 175.417 175.180 0.237 1
1 508 . 6 1 1 A 44 44 ARG CA C 41 56.319 55.750 0.569 1
1 509 . 6 1 1 A 44 44 ARG CB C 41 31.231 30.965 0.266 1
1 512 . 6 1 1 A 44 44 ARG N N 41 127.617 128.972 -1.355 1
1 513 . 6 1 1 A 45 45 LEU H H 42 8.494 8.355 0.139 1
1 514 . 6 1 1 A 45 45 LEU HA H 42 4.480 4.396 0.084 1
1 524 . 6 1 1 A 45 45 LEU C C 42 179.893 178.531 1.362 1
1 525 . 6 1 1 A 45 45 LEU CA C 42 53.972 55.151 -1.179 1
1 526 . 6 1 1 A 45 45 LEU CB C 42 42.206 41.930 0.276 1
1 530 . 6 1 1 A 45 45 LEU N N 42 125.380 128.386 -3.006 1
1 531 . 6 1 1 A 46 46 ARG H H 43 9.223 8.764 0.459 1
1 532 . 6 1 1 A 46 46 ARG HA H 43 3.929 4.066 -0.137 1
1 539 . 6 1 1 A 46 46 ARG C C 43 177.114 177.804 -0.690 1
1 540 . 6 1 1 A 46 46 ARG CA C 43 58.773 58.256 0.517 1
1 541 . 6 1 1 A 46 46 ARG CB C 43 29.688 29.851 -0.163 1
1 544 . 6 1 1 A 46 46 ARG N N 43 121.380 122.504 -1.124 1
1 545 . 6 1 1 A 47 47 ASP H H 44 7.727 7.941 -0.214 1
1 546 . 6 1 1 A 47 47 ASP HA H 44 4.373 4.554 -0.181 1
1 549 . 6 1 1 A 47 47 ASP C C 44 177.125 176.520 0.605 1
1 550 . 6 1 1 A 47 47 ASP CA C 44 53.256 54.420 -1.164 1
1 551 . 6 1 1 A 47 47 ASP CB C 44 39.993 41.032 -1.039 1
1 552 . 6 1 1 A 47 47 ASP N N 44 115.801 118.051 -2.250 1
1 553 . 6 1 1 A 48 48 GLY H H 45 7.878 8.018 -0.140 1
1 554 . 6 1 1 A 48 48 GLY HA2 H 45 4.237 3.888 0.349 1
1 555 . 6 1 1 A 48 48 GLY HA3 H 45 3.531 3.890 -0.359 1
1 556 . 6 1 1 A 48 48 GLY C C 45 175.041 174.117 0.924 1
1 557 . 6 1 1 A 48 48 GLY CA C 45 45.289 45.293 -0.004 1
1 558 . 6 1 1 A 48 48 GLY N N 45 108.005 106.688 1.317 1
1 559 . 6 1 1 A 49 49 ARG H H 46 7.696 7.783 -0.087 1
1 560 . 6 1 1 A 49 49 ARG HA H 46 4.309 4.584 -0.275 1
1 567 . 6 1 1 A 49 49 ARG C C 46 174.199 175.257 -1.058 1
1 568 . 6 1 1 A 49 49 ARG CA C 46 55.909 55.340 0.569 1
1 569 . 6 1 1 A 49 49 ARG CB C 46 31.226 32.182 -0.956 1
1 572 . 6 1 1 A 49 49 ARG N N 46 120.601 120.126 0.475 1
1 573 . 6 1 1 A 50 50 GLU H H 47 8.885 8.708 0.177 1
1 574 . 6 1 1 A 50 50 GLU HA H 47 5.381 5.671 -0.290 1
1 579 . 6 1 1 A 50 50 GLU C C 47 175.590 174.940 0.650 1
1 580 . 6 1 1 A 50 50 GLU CA C 47 55.057 54.797 0.260 1
1 581 . 6 1 1 A 50 50 GLU CB C 47 35.650 34.335 1.315 1
1 583 . 6 1 1 A 50 50 GLU N N 47 116.439 118.807 -2.368 1
1 584 . 6 1 1 A 51 51 ASN H H 48 8.683 8.762 -0.079 1
1 585 . 6 1 1 A 51 51 ASN HA H 48 5.153 5.558 -0.405 1
1 590 . 6 1 1 A 51 51 ASN C C 48 173.562 173.936 -0.374 1
1 591 . 6 1 1 A 51 51 ASN CA C 48 50.361 51.657 -1.296 1
1 592 . 6 1 1 A 51 51 ASN CB C 48 41.823 41.429 0.394 1
1 593 . 6 1 1 A 51 51 ASN N N 48 114.752 120.687 -5.935 1
1 595 . 6 1 1 A 52 52 LEU H H 49 8.847 8.450 0.397 1
1 596 . 6 1 1 A 52 52 LEU HA H 49 5.274 4.966 0.308 1
1 606 . 6 1 1 A 52 52 LEU C C 49 174.213 173.601 0.612 1
1 607 . 6 1 1 A 52 52 LEU CA C 49 52.889 53.934 -1.045 1
1 608 . 6 1 1 A 52 52 LEU CB C 49 46.300 46.167 0.133 1
1 612 . 6 1 1 A 52 52 LEU N N 49 120.365 121.931 -1.566 1
1 613 . 6 1 1 A 53 53 TYR H H 50 9.641 8.966 0.675 1
1 614 . 6 1 1 A 53 53 TYR HA H 50 5.519 5.807 -0.288 1
1 621 . 6 1 1 A 53 53 TYR C C 50 175.473 175.454 0.019 1
1 622 . 6 1 1 A 53 53 TYR CA C 50 55.928 55.647 0.281 1
1 623 . 6 1 1 A 53 53 TYR CB C 50 40.076 42.928 -2.852 1
1 628 . 6 1 1 A 53 53 TYR N N 50 127.507 124.054 3.453 1
1 629 . 6 1 1 A 54 54 GLY H H 51 8.893 8.714 0.179 1
1 630 . 6 1 1 A 54 54 GLY HA2 H 51 4.687 3.541 1.146 1
1 631 . 6 1 1 A 54 54 GLY HA3 H 51 3.127 3.946 -0.819 1
1 632 . 6 1 1 A 54 54 GLY CA C 51 44.040 44.019 0.021 1
1 633 . 6 1 1 A 54 54 GLY N N 51 108.518 109.739 -1.221 1
1 634 . 6 1 1 A 55 55 PRO HA H 52 3.849 3.560 0.289 1
1 641 . 6 1 1 A 55 55 PRO C C 52 176.695 176.673 0.022 1
1 642 . 6 1 1 A 55 55 PRO CA C 52 63.187 61.878 1.309 1
1 643 . 6 1 1 A 55 55 PRO CB C 52 32.096 31.205 0.891 1
1 646 . 6 1 1 A 56 56 ALA H H 53 7.675 7.834 -0.159 1
1 647 . 6 1 1 A 56 56 ALA HA H 53 4.242 4.651 -0.409 1
1 651 . 6 1 1 A 56 56 ALA CA C 53 49.506 50.288 -0.782 1
1 652 . 6 1 1 A 56 56 ALA CB C 53 18.096 17.334 0.762 1
1 653 . 6 1 1 A 56 56 ALA N N 53 126.695 124.760 1.935 1
1 654 . 6 1 1 A 57 57 PRO HA H 54 4.186 4.747 -0.561 1
1 661 . 6 1 1 A 57 57 PRO C C 54 179.368 176.975 2.393 1
1 662 . 6 1 1 A 57 57 PRO CA C 54 63.116 62.435 0.681 1
1 663 . 6 1 1 A 57 57 PRO CB C 54 31.747 30.748 0.999 1
1 666 . 6 1 1 A 58 58 GLN H H 55 8.278 8.340 -0.062 1
1 667 . 6 1 1 A 58 58 GLN HA H 55 4.083 4.310 -0.227 1
1 674 . 6 1 1 A 58 58 GLN C C 55 175.368 175.482 -0.114 1
1 675 . 6 1 1 A 58 58 GLN CA C 55 55.635 55.880 -0.245 1
1 676 . 6 1 1 A 58 58 GLN CB C 55 29.927 28.981 0.946 1
1 678 . 6 1 1 A 58 58 GLN N N 55 121.313 119.100 2.213 1
1 680 . 6 1 1 A 59 59 SER H H 56 8.182 8.608 -0.426 1
1 681 . 6 1 1 A 59 59 SER HA H 56 4.246 4.537 -0.291 1
1 684 . 6 1 1 A 59 59 SER C C 56 174.075 174.142 -0.067 1
1 685 . 6 1 1 A 59 59 SER CA C 56 57.667 58.302 -0.635 1
1 686 . 6 1 1 A 59 59 SER CB C 56 63.751 62.194 1.557 1
1 687 . 6 1 1 A 59 59 SER N N 56 117.615 119.267 -1.652 1
1 688 . 6 1 1 A 60 60 PHE H H 57 8.100 8.221 -0.121 1
1 689 . 6 1 1 A 60 60 PHE HA H 57 4.493 5.641 -1.148 1
1 696 . 6 1 1 A 60 60 PHE C C 57 175.439 174.312 1.127 1
1 697 . 6 1 1 A 60 60 PHE CA C 57 57.622 55.258 2.364 1
1 698 . 6 1 1 A 60 60 PHE CB C 57 39.519 41.308 -1.789 1
1 703 . 6 1 1 A 60 60 PHE N N 57 121.890 123.171 -1.281 1
1 704 . 6 1 1 A 61 61 ALA H H 58 8.234 8.628 -0.394 1
1 705 . 6 1 1 A 61 61 ALA HA H 58 4.165 4.806 -0.641 1
1 709 . 6 1 1 A 61 61 ALA C C 58 179.286 177.335 1.951 1
1 710 . 6 1 1 A 61 61 ALA CA C 58 52.471 50.658 1.813 1
1 711 . 6 1 1 A 61 61 ALA CB C 58 19.444 20.816 -1.372 1
1 712 . 6 1 1 A 61 61 ALA N N 58 124.383 124.734 -0.351 1
1 713 . 6 1 1 A 62 62 ASP H H 59 8.017 9.434 -1.417 1
1 714 . 6 1 1 A 62 62 ASP HA H 59 4.412 4.376 0.036 1
1 717 . 6 1 1 A 62 62 ASP C C 59 176.073 174.799 1.274 1
1 718 . 6 1 1 A 62 62 ASP CA C 59 54.360 55.275 -0.915 1
1 719 . 6 1 1 A 62 62 ASP CB C 59 41.213 39.995 1.218 1
1 720 . 6 1 1 A 62 62 ASP N N 59 118.579 124.180 -5.601 1
1 721 . 6 1 1 A 63 63 ASP H H 60 8.096 8.690 -0.594 1
1 722 . 6 1 1 A 63 63 ASP HA H 60 4.346 4.332 0.014 1
1 725 . 6 1 1 A 63 63 ASP C C 60 176.619 175.729 0.890 1
1 726 . 6 1 1 A 63 63 ASP CA C 60 54.714 55.719 -1.005 1
1 727 . 6 1 1 A 63 63 ASP CB C 60 40.801 39.008 1.793 1
1 728 . 6 1 1 A 63 63 ASP N N 60 119.530 112.377 7.153 1
1 729 . 6 1 1 A 64 64 GLU H H 61 8.109 7.866 0.243 1
1 730 . 6 1 1 A 64 64 GLU HA H 61 4.012 4.129 -0.117 1
1 735 . 6 1 1 A 64 64 GLU C C 61 176.652 178.384 -1.732 1
1 736 . 6 1 1 A 64 64 GLU CA C 61 57.301 59.107 -1.806 1
1 737 . 6 1 1 A 64 64 GLU CB C 61 30.107 30.035 0.072 1
1 739 . 6 1 1 A 64 64 GLU N N 61 120.050 118.189 1.861 1
1 740 . 6 1 1 A 65 65 ASP H H 62 8.062 8.378 -0.316 1
1 741 . 6 1 1 A 65 65 ASP HA H 62 4.369 4.396 -0.027 1
1 744 . 6 1 1 A 65 65 ASP C C 62 177.458 178.681 -1.223 1
1 745 . 6 1 1 A 65 65 ASP CA C 62 54.645 56.453 -1.808 1
1 746 . 6 1 1 A 65 65 ASP CB C 62 40.896 40.596 0.300 1
1 747 . 6 1 1 A 65 65 ASP N N 62 120.211 119.964 0.247 1
1 748 . 6 1 1 A 66 66 ILE H H 63 7.805 7.489 0.316 1
1 749 . 6 1 1 A 66 66 ILE HA H 63 3.708 3.690 0.018 1
1 759 . 6 1 1 A 66 66 ILE C C 63 176.802 177.512 -0.710 1
1 760 . 6 1 1 A 66 66 ILE CA C 63 62.754 64.691 -1.937 1
1 761 . 6 1 1 A 66 66 ILE CB C 63 38.230 37.851 0.379 1
1 765 . 6 1 1 A 66 66 ILE N N 63 121.259 120.339 0.920 1
1 766 . 6 1 1 A 67 67 MET H H 64 7.950 7.608 0.342 1
1 767 . 6 1 1 A 67 67 MET HA H 64 4.229 4.566 -0.337 1
1 775 . 6 1 1 A 67 67 MET C C 64 176.724 177.227 -0.503 1
1 776 . 6 1 1 A 67 67 MET CA C 64 55.944 54.653 1.291 1
1 777 . 6 1 1 A 67 67 MET CB C 64 31.826 34.287 -2.461 1
1 780 . 6 1 1 A 67 67 MET N N 64 118.533 117.199 1.334 1
1 781 . 6 1 1 A 68 68 ARG H H 65 7.604 7.607 -0.003 1
1 782 . 6 1 1 A 68 68 ARG HA H 65 4.197 4.321 -0.124 1
1 789 . 6 1 1 A 68 68 ARG C C 65 175.530 176.017 -0.487 1
1 790 . 6 1 1 A 68 68 ARG CA C 65 56.028 56.438 -0.410 1
1 791 . 6 1 1 A 68 68 ARG CB C 65 30.760 30.787 -0.027 1
1 794 . 6 1 1 A 68 68 ARG N N 65 118.706 117.840 0.866 1
1 795 . 6 1 1 A 69 69 ALA H H 66 7.634 7.476 0.158 1
1 796 . 6 1 1 A 69 69 ALA HA H 66 4.254 4.800 -0.546 1
1 800 . 6 1 1 A 69 69 ALA C C 66 176.846 175.034 1.812 1
1 801 . 6 1 1 A 69 69 ALA CA C 66 51.905 51.085 0.820 1
1 802 . 6 1 1 A 69 69 ALA CB C 66 20.023 22.711 -2.688 1
1 803 . 6 1 1 A 69 69 ALA N N 66 123.528 119.761 3.767 1
1 804 . 6 1 1 A 70 70 GLU H H 67 8.192 8.602 -0.410 1
1 805 . 6 1 1 A 70 70 GLU HA H 67 4.228 4.633 -0.405 1
1 810 . 6 1 1 A 70 70 GLU C C 67 176.333 176.075 0.258 1
1 811 . 6 1 1 A 70 70 GLU CA C 67 55.928 56.198 -0.270 1
1 812 . 6 1 1 A 70 70 GLU CB C 67 30.769 30.480 0.289 1
1 814 . 6 1 1 A 70 70 GLU N N 67 120.599 122.599 -2.000 1
1 815 . 6 1 1 A 71 71 ARG H H 68 8.674 8.368 0.306 1
1 816 . 6 1 1 A 71 71 ARG HA H 68 3.696 4.247 -0.551 1
1 823 . 6 1 1 A 71 71 ARG C C 68 175.422 175.328 0.094 1
1 824 . 6 1 1 A 71 71 ARG CA C 68 56.964 56.166 0.798 1
1 825 . 6 1 1 A 71 71 ARG CB C 68 30.886 30.425 0.461 1
1 828 . 6 1 1 A 71 71 ARG N N 68 123.533 124.386 -0.853 1
1 829 . 6 1 1 A 72 72 ARG H H 69 7.660 8.670 -1.010 1
1 830 . 6 1 1 A 72 72 ARG HA H 69 4.642 4.652 -0.010 1
1 837 . 6 1 1 A 72 72 ARG C C 69 175.051 175.901 -0.850 1
1 838 . 6 1 1 A 72 72 ARG CA C 69 54.297 55.420 -1.123 1
1 839 . 6 1 1 A 72 72 ARG CB C 69 33.555 31.563 1.992 1
1 842 . 6 1 1 A 72 72 ARG N N 69 120.057 123.851 -3.794 1
1 843 . 6 1 1 A 73 73 PHE H H 70 8.714 8.694 0.020 1
1 844 . 6 1 1 A 73 73 PHE HA H 70 5.020 4.940 0.080 1
1 852 . 6 1 1 A 73 73 PHE C C 70 173.159 174.863 -1.704 1
1 853 . 6 1 1 A 73 73 PHE CA C 70 57.359 57.191 0.168 1
1 854 . 6 1 1 A 73 73 PHE CB C 70 43.426 42.373 1.053 1
1 860 . 6 1 1 A 73 73 PHE N N 70 119.519 122.751 -3.232 1
1 861 . 6 1 1 A 74 74 GLU H H 71 9.404 9.252 0.152 1
1 862 . 6 1 1 A 74 74 GLU HA H 71 4.996 5.097 -0.101 1
1 867 . 6 1 1 A 74 74 GLU C C 71 175.559 174.720 0.839 1
1 868 . 6 1 1 A 74 74 GLU CA C 71 52.975 54.627 -1.652 1
1 869 . 6 1 1 A 74 74 GLU CB C 71 33.399 33.698 -0.299 1
1 871 . 6 1 1 A 74 74 GLU N N 71 117.679 117.955 -0.276 1
1 872 . 6 1 1 A 75 75 THR H H 72 9.801 9.077 0.724 1
1 873 . 6 1 1 A 75 75 THR HA H 72 4.108 4.957 -0.849 1
1 878 . 6 1 1 A 75 75 THR C C 72 175.065 174.068 0.997 1
1 879 . 6 1 1 A 75 75 THR CA C 72 64.296 62.161 2.135 1
1 880 . 6 1 1 A 75 75 THR CB C 72 67.635 68.909 -1.274 1
1 882 . 6 1 1 A 75 75 THR N N 72 122.320 117.715 4.605 1
1 883 . 6 1 1 A 76 76 ARG H H 73 9.150 8.822 0.328 1
1 884 . 6 1 1 A 76 76 ARG HA H 73 4.283 4.197 0.086 1
1 892 . 6 1 1 A 76 76 ARG C C 73 176.574 176.695 -0.121 1
1 893 . 6 1 1 A 76 76 ARG CA C 73 55.858 58.718 -2.860 1
1 894 . 6 1 1 A 76 76 ARG CB C 73 30.930 30.980 -0.050 1
1 897 . 6 1 1 A 76 76 ARG N N 73 127.709 127.792 -0.083 1
1 899 . 6 1 1 A 77 77 LEU H H 74 7.520 7.398 0.122 1
1 900 . 6 1 1 A 77 77 LEU HA H 74 4.480 4.929 -0.449 1
1 910 . 6 1 1 A 77 77 LEU C C 74 174.509 175.392 -0.883 1
1 911 . 6 1 1 A 77 77 LEU CA C 74 54.222 53.170 1.052 1
1 912 . 6 1 1 A 77 77 LEU CB C 74 47.315 45.920 1.395 1
1 916 . 6 1 1 A 77 77 LEU N N 74 117.021 118.290 -1.269 1
1 917 . 6 1 1 A 78 78 ALA H H 75 8.600 8.438 0.162 1
1 918 . 6 1 1 A 78 78 ALA HA H 75 4.999 4.671 0.328 1
1 922 . 6 1 1 A 78 78 ALA C C 75 176.343 177.387 -1.044 1
1 923 . 6 1 1 A 78 78 ALA CA C 75 50.324 51.513 -1.189 1
1 924 . 6 1 1 A 78 78 ALA CB C 75 21.074 21.772 -0.698 1
1 925 . 6 1 1 A 78 78 ALA N N 75 124.663 123.252 1.411 1
1 926 . 6 1 1 A 79 79 GLY H H 76 8.730 8.715 0.015 1
1 927 . 6 1 1 A 79 79 GLY HA2 H 76 3.706 3.842 -0.136 1
1 928 . 6 1 1 A 79 79 GLY HA3 H 76 3.306 3.843 -0.537 1
1 929 . 6 1 1 A 79 79 GLY C C 76 175.173 174.140 1.033 1
1 930 . 6 1 1 A 79 79 GLY CA C 76 47.520 46.675 0.845 1
1 931 . 6 1 1 A 79 79 GLY N N 76 114.411 111.840 2.571 1
1 932 . 6 1 1 A 80 80 VAL H H 77 8.380 7.800 0.580 1
1 933 . 6 1 1 A 80 80 VAL HA H 77 4.643 4.527 0.116 1
1 941 . 6 1 1 A 80 80 VAL C C 77 175.208 175.422 -0.214 1
1 942 . 6 1 1 A 80 80 VAL CA C 77 59.289 60.156 -0.867 1
1 943 . 6 1 1 A 80 80 VAL CB C 77 34.226 33.838 0.388 1
1 946 . 6 1 1 A 80 80 VAL N N 77 112.611 117.177 -4.566 1
1 947 . 6 1 1 A 81 81 GLU H H 78 8.415 8.470 -0.055 1
1 948 . 6 1 1 A 81 81 GLU HA H 78 4.451 4.653 -0.202 1
1 953 . 6 1 1 A 81 81 GLU C C 78 178.955 178.085 0.870 1
1 954 . 6 1 1 A 81 81 GLU CA C 78 55.631 54.598 1.033 1
1 955 . 6 1 1 A 81 81 GLU CB C 78 30.535 30.596 -0.061 1
1 957 . 6 1 1 A 81 81 GLU N N 78 117.186 121.769 -4.583 1
1 958 . 6 1 1 A 82 82 GLY H H 79 8.834 8.733 0.101 1
1 959 . 6 1 1 A 82 82 GLY HA2 H 79 3.810 3.852 -0.042 1
1 960 . 6 1 1 A 82 82 GLY HA3 H 79 3.518 3.852 -0.334 1
1 961 . 6 1 1 A 82 82 GLY C C 79 176.446 175.713 0.733 1
1 962 . 6 1 1 A 82 82 GLY CA C 79 47.629 47.101 0.528 1
1 963 . 6 1 1 A 82 82 GLY N N 79 109.312 108.168 1.144 1
1 964 . 6 1 1 A 83 83 GLU H H 80 8.747 8.135 0.612 1
1 965 . 6 1 1 A 83 83 GLU HA H 80 3.972 4.083 -0.111 1
1 970 . 6 1 1 A 83 83 GLU C C 80 179.046 178.983 0.063 1
1 971 . 6 1 1 A 83 83 GLU CA C 80 59.403 59.137 0.266 1
1 972 . 6 1 1 A 83 83 GLU CB C 80 29.005 29.544 -0.539 1
1 974 . 6 1 1 A 83 83 GLU N N 80 119.416 121.329 -1.913 1
1 975 . 6 1 1 A 84 84 GLU H H 81 7.588 8.251 -0.663 1
1 976 . 6 1 1 A 84 84 GLU HA H 81 4.003 4.042 -0.039 1
1 981 . 6 1 1 A 84 84 GLU C C 81 179.682 179.309 0.373 1
1 982 . 6 1 1 A 84 84 GLU CA C 81 59.213 59.079 0.134 1
1 983 . 6 1 1 A 84 84 GLU CB C 81 29.473 29.274 0.199 1
1 985 . 6 1 1 A 84 84 GLU N N 81 120.110 119.246 0.864 1
1 986 . 6 1 1 A 85 85 ILE H H 82 6.936 7.773 -0.837 1
1 987 . 6 1 1 A 85 85 ILE HA H 82 3.356 3.554 -0.198 1
1 997 . 6 1 1 A 85 85 ILE C C 82 177.308 177.921 -0.613 1
1 998 . 6 1 1 A 85 85 ILE CA C 82 64.055 65.900 -1.845 1
1 999 . 6 1 1 A 85 85 ILE CB C 82 36.836 38.139 -1.303 1
1 1003 . 6 1 1 A 85 85 ILE N N 82 120.268 121.675 -1.407 1
1 1004 . 6 1 1 A 86 86 ALA H H 83 8.292 8.193 0.099 1
1 1005 . 6 1 1 A 86 86 ALA HA H 83 3.787 4.014 -0.227 1
1 1009 . 6 1 1 A 86 86 ALA C C 83 180.345 180.016 0.329 1
1 1010 . 6 1 1 A 86 86 ALA CA C 83 55.103 55.194 -0.091 1
1 1011 . 6 1 1 A 86 86 ALA CB C 83 17.928 18.108 -0.180 1
1 1012 . 6 1 1 A 86 86 ALA N N 83 121.052 121.293 -0.241 1
1 1013 . 6 1 1 A 87 87 ALA H H 84 7.516 7.821 -0.305 1
1 1014 . 6 1 1 A 87 87 ALA HA H 84 4.006 4.070 -0.064 1
1 1018 . 6 1 1 A 87 87 ALA C C 84 180.272 179.342 0.930 1
1 1019 . 6 1 1 A 87 87 ALA CA C 84 54.765 55.001 -0.236 1
1 1020 . 6 1 1 A 87 87 ALA CB C 84 17.949 18.496 -0.547 1
1 1021 . 6 1 1 A 87 87 ALA N N 84 119.052 120.236 -1.184 1
1 1022 . 6 1 1 A 88 88 LEU H H 85 7.285 7.649 -0.364 1
1 1023 . 6 1 1 A 88 88 LEU HA H 85 4.042 4.150 -0.108 1
1 1033 . 6 1 1 A 88 88 LEU C C 85 174.921 178.878 -3.957 1
1 1034 . 6 1 1 A 88 88 LEU CA C 85 58.290 57.134 1.156 1
1 1035 . 6 1 1 A 88 88 LEU CB C 85 41.610 42.342 -0.732 1
1 1039 . 6 1 1 A 88 88 LEU N N 85 121.211 119.989 1.222 1
1 1040 . 6 1 1 A 89 89 LEU H H 86 8.472 8.297 0.175 1
1 1041 . 6 1 1 A 89 89 LEU HA H 86 3.486 3.835 -0.349 1
1 1051 . 6 1 1 A 89 89 LEU C C 86 178.855 179.358 -0.503 1
1 1052 . 6 1 1 A 89 89 LEU CA C 86 57.476 57.219 0.257 1
1 1053 . 6 1 1 A 89 89 LEU CB C 86 41.478 40.765 0.713 1
1 1057 . 6 1 1 A 89 89 LEU N N 86 118.740 118.655 0.085 1
1 1058 . 6 1 1 A 90 90 GLU H H 87 7.926 8.129 -0.203 1
1 1059 . 6 1 1 A 90 90 GLU HA H 87 3.726 3.929 -0.203 1
1 1064 . 6 1 1 A 90 90 GLU C C 87 178.738 178.875 -0.137 1
1 1065 . 6 1 1 A 90 90 GLU CA C 87 59.511 58.993 0.518 1
1 1066 . 6 1 1 A 90 90 GLU CB C 87 28.855 29.371 -0.516 1
1 1068 . 6 1 1 A 90 90 GLU N N 87 119.669 120.429 -0.760 1
1 1069 . 6 1 1 A 91 91 ARG H H 88 7.069 7.891 -0.822 1
1 1070 . 6 1 1 A 91 91 ARG HA H 88 3.762 4.106 -0.344 1
1 1077 . 6 1 1 A 91 91 ARG C C 88 178.920 179.184 -0.264 1
1 1078 . 6 1 1 A 91 91 ARG CA C 88 59.544 59.542 0.002 1
1 1079 . 6 1 1 A 91 91 ARG CB C 88 29.723 30.077 -0.354 1
1 1082 . 6 1 1 A 91 91 ARG N N 88 119.088 119.318 -0.230 1
1 1083 . 6 1 1 A 92 92 GLU H H 89 8.170 8.300 -0.130 1
1 1084 . 6 1 1 A 92 92 GLU HA H 89 4.021 4.258 -0.237 1
1 1089 . 6 1 1 A 92 92 GLU C C 89 180.250 179.933 0.317 1
1 1090 . 6 1 1 A 92 92 GLU CA C 89 58.661 58.667 -0.006 1
1 1091 . 6 1 1 A 92 92 GLU CB C 89 28.073 28.946 -0.873 1
1 1093 . 6 1 1 A 92 92 GLU N N 89 117.768 119.904 -2.136 1
1 1094 . 6 1 1 A 93 93 ARG H H 90 8.355 7.836 0.519 1
1 1095 . 6 1 1 A 93 93 ARG HA H 90 4.003 4.374 -0.371 1
1 1102 . 6 1 1 A 93 93 ARG C C 90 177.592 178.512 -0.920 1
1 1103 . 6 1 1 A 93 93 ARG CA C 90 57.744 58.885 -1.141 1
1 1104 . 6 1 1 A 93 93 ARG CB C 90 30.325 29.870 0.455 1
1 1107 . 6 1 1 A 93 93 ARG N N 90 119.179 118.857 0.322 1
1 1108 . 6 1 1 A 94 94 ARG H H 91 7.232 7.413 -0.181 1
1 1109 . 6 1 1 A 94 94 ARG HA H 91 3.788 3.832 -0.044 1
1 1116 . 6 1 1 A 94 94 ARG C C 91 177.986 178.242 -0.256 1
1 1117 . 6 1 1 A 94 94 ARG CA C 91 58.462 58.747 -0.285 1
1 1118 . 6 1 1 A 94 94 ARG CB C 91 29.565 29.346 0.219 1
1 1121 . 6 1 1 A 94 94 ARG N N 91 118.441 119.941 -1.500 1
1 1122 . 6 1 1 A 95 95 PHE H H 92 7.048 7.698 -0.650 1
1 1123 . 6 1 1 A 95 95 PHE HA H 92 4.474 4.469 0.005 1
1 1128 . 6 1 1 A 95 95 PHE C C 92 175.728 175.435 0.293 1
1 1129 . 6 1 1 A 95 95 PHE CA C 92 58.210 59.441 -1.231 1
1 1130 . 6 1 1 A 95 95 PHE CB C 92 39.724 40.673 -0.949 1
1 1133 . 6 1 1 A 95 95 PHE N N 92 115.951 116.328 -0.377 1
1 1134 . 6 1 1 A 96 96 ASP H H 93 7.793 8.189 -0.396 1
1 1135 . 6 1 1 A 96 96 ASP HA H 93 4.703 4.934 -0.231 1
1 1138 . 6 1 1 A 96 96 ASP C C 93 179.474 176.021 3.453 1
1 1139 . 6 1 1 A 96 96 ASP CA C 93 53.103 52.953 0.150 1
1 1140 . 6 1 1 A 96 96 ASP CB C 93 41.634 41.410 0.224 1
1 1141 . 6 1 1 A 96 96 ASP N N 93 119.328 118.752 0.576 1
1 1142 . 6 1 1 A 97 97 SER H H 94 8.490 8.886 -0.396 1
1 1143 . 6 1 1 A 97 97 SER HA H 94 4.204 4.179 0.025 1
1 1146 . 6 1 1 A 97 97 SER C C 94 175.549 175.715 -0.166 1
1 1147 . 6 1 1 A 97 97 SER CA C 94 60.047 61.039 -0.992 1
1 1148 . 6 1 1 A 97 97 SER CB C 94 63.408 62.709 0.699 1
1 1149 . 6 1 1 A 97 97 SER N N 94 118.740 121.117 -2.377 1
1 1150 . 6 1 1 A 98 98 ASP H H 95 8.229 8.005 0.224 1
1 1151 . 6 1 1 A 98 98 ASP HA H 95 4.684 4.695 -0.011 1
1 1154 . 6 1 1 A 98 98 ASP C C 95 175.547 176.292 -0.745 1
1 1155 . 6 1 1 A 98 98 ASP CA C 95 54.380 55.825 -1.445 1
1 1156 . 6 1 1 A 98 98 ASP CB C 95 42.267 41.006 1.261 1
1 1157 . 6 1 1 A 98 98 ASP N N 95 121.306 119.379 1.927 1
1 1158 . 6 1 1 A 99 99 LEU H H 96 6.613 7.171 -0.558 1
1 1159 . 6 1 1 A 99 99 LEU HA H 96 4.801 5.168 -0.367 1
1 1169 . 6 1 1 A 99 99 LEU C C 96 176.224 176.116 0.108 1
1 1170 . 6 1 1 A 99 99 LEU CA C 96 55.691 54.230 1.461 1
1 1171 . 6 1 1 A 99 99 LEU CB C 96 42.272 43.549 -1.277 1
1 1175 . 6 1 1 A 99 99 LEU N N 96 117.774 117.234 0.540 1
1 1176 . 6 1 1 A 100 100 TRP H H 97 9.750 9.520 0.230 1
1 1177 . 6 1 1 A 100 100 TRP HA H 97 4.757 5.607 -0.850 1
1 1186 . 6 1 1 A 100 100 TRP C C 97 176.737 175.262 1.475 1
1 1187 . 6 1 1 A 100 100 TRP CA C 97 55.634 55.244 0.390 1
1 1188 . 6 1 1 A 100 100 TRP CB C 97 31.794 32.579 -0.785 1
1 1194 . 6 1 1 A 100 100 TRP N N 97 120.649 120.849 -0.200 1
1 1196 . 6 1 1 A 101 101 VAL H H 98 9.096 8.943 0.153 1
1 1197 . 6 1 1 A 101 101 VAL HA H 98 5.018 5.192 -0.174 1
1 1205 . 6 1 1 A 101 101 VAL C C 98 175.816 175.268 0.548 1
1 1206 . 6 1 1 A 101 101 VAL CA C 98 61.998 62.216 -0.218 1
1 1207 . 6 1 1 A 101 101 VAL CB C 98 34.180 33.102 1.078 1
1 1210 . 6 1 1 A 101 101 VAL N N 98 117.960 123.991 -6.031 1
1 1211 . 6 1 1 A 102 102 VAL H H 99 9.113 9.062 0.051 1
1 1212 . 6 1 1 A 102 102 VAL HA H 99 4.546 4.801 -0.255 1
1 1220 . 6 1 1 A 102 102 VAL C C 99 173.388 175.079 -1.691 1
1 1221 . 6 1 1 A 102 102 VAL CA C 99 60.987 61.331 -0.344 1
1 1222 . 6 1 1 A 102 102 VAL CB C 99 34.654 33.795 0.859 1
1 1225 . 6 1 1 A 102 102 VAL N N 99 129.775 128.662 1.113 1
1 1226 . 6 1 1 A 103 103 GLU H H 100 9.226 8.781 0.445 1
1 1227 . 6 1 1 A 103 103 GLU HA H 100 5.376 4.766 0.610 1
1 1232 . 6 1 1 A 103 103 GLU C C 100 175.058 176.429 -1.371 1
1 1233 . 6 1 1 A 103 103 GLU CA C 100 54.158 56.056 -1.898 1
1 1234 . 6 1 1 A 103 103 GLU CB C 100 31.835 30.342 1.493 1
1 1236 . 6 1 1 A 103 103 GLU N N 100 128.249 127.492 0.757 1
1 1237 . 6 1 1 A 104 104 ILE H H 101 9.141 9.061 0.080 1
1 1238 . 6 1 1 A 104 104 ILE HA H 101 5.021 5.277 -0.256 1
1 1248 . 6 1 1 A 104 104 ILE C C 101 173.727 174.126 -0.399 1
1 1249 . 6 1 1 A 104 104 ILE CA C 101 59.226 58.996 0.230 1
1 1250 . 6 1 1 A 104 104 ILE CB C 101 42.192 41.239 0.953 1
1 1254 . 6 1 1 A 104 104 ILE N N 101 118.638 120.543 -1.905 1
1 1255 . 6 1 1 A 105 105 GLU H H 102 9.018 9.141 -0.123 1
1 1256 . 6 1 1 A 105 105 GLU HA H 102 4.800 5.212 -0.412 1
1 1261 . 6 1 1 A 105 105 GLU C C 102 174.832 175.078 -0.246 1
1 1262 . 6 1 1 A 105 105 GLU CA C 102 55.362 55.319 0.043 1
1 1263 . 6 1 1 A 105 105 GLU CB C 102 31.160 31.895 -0.735 1
1 1265 . 6 1 1 A 105 105 GLU N N 102 125.842 123.361 2.481 1
1 1266 . 6 1 1 A 106 106 THR H H 103 7.678 8.109 -0.431 1
1 1267 . 6 1 1 A 106 106 THR HA H 103 4.424 4.843 -0.419 1
1 1272 . 6 1 1 A 106 106 THR C C 103 172.175 172.657 -0.482 1
1 1273 . 6 1 1 A 106 106 THR CA C 103 60.772 60.484 0.288 1
1 1274 . 6 1 1 A 106 106 THR CB C 103 67.599 69.660 -2.061 1
1 1276 . 6 1 1 A 106 106 THR N N 103 118.569 120.174 -1.605 1
1 1277 . 6 1 1 A 107 107 ASP H H 104 8.400 8.998 -0.598 1
1 1278 . 6 1 1 A 107 107 ASP HA H 104 4.635 4.547 0.088 1
1 1281 . 6 1 1 A 107 107 ASP C C 104 176.214 175.912 0.302 1
1 1282 . 6 1 1 A 107 107 ASP CA C 104 55.771 55.094 0.677 1
1 1283 . 6 1 1 A 107 107 ASP CB C 104 41.463 41.505 -0.042 1
1 1284 . 6 1 1 A 107 107 ASP N N 104 125.388 124.701 0.687 1
1 1285 . 6 1 1 A 108 108 GLU H H 105 7.995 7.315 0.680 1
1 1286 . 6 1 1 A 108 108 GLU HA H 105 4.524 4.799 -0.275 1
1 1291 . 6 1 1 A 108 108 GLU C C 105 175.340 176.049 -0.709 1
1 1292 . 6 1 1 A 108 108 GLU CA C 105 54.564 54.824 -0.260 1
1 1293 . 6 1 1 A 108 108 GLU CB C 105 30.953 32.630 -1.677 1
1 1295 . 6 1 1 A 108 108 GLU N N 105 120.222 116.014 4.208 1
1 1296 . 6 1 1 A 109 109 ILE H H 106 8.389 8.540 -0.151 1
1 1297 . 6 1 1 A 109 109 ILE HA H 106 3.853 4.197 -0.344 1
1 1307 . 6 1 1 A 109 109 ILE C C 106 176.324 177.679 -1.355 1
1 1308 . 6 1 1 A 109 109 ILE CA C 106 60.148 63.021 -2.873 1
1 1309 . 6 1 1 A 109 109 ILE CB C 106 38.950 39.234 -0.284 1
1 1313 . 6 1 1 A 109 109 ILE N N 106 124.088 122.513 1.575 1
1 1314 . 6 1 1 A 110 110 GLY H H 107 8.534 8.091 0.443 1
1 1315 . 6 1 1 A 110 110 GLY HA2 H 107 3.744 3.882 -0.138 1
1 1316 . 6 1 1 A 110 110 GLY HA3 H 107 3.705 3.908 -0.203 1
1 1317 . 6 1 1 A 110 110 GLY C C 107 175.021 174.632 0.389 1
1 1318 . 6 1 1 A 110 110 GLY CA C 107 46.530 45.743 0.787 1
1 1319 . 6 1 1 A 110 110 GLY N N 107 109.224 108.891 0.333 1
1 1320 . 6 1 1 A 111 111 THR H H 108 7.892 8.076 -0.184 1
1 1321 . 6 1 1 A 111 111 THR HA H 108 4.255 4.646 -0.391 1
1 1326 . 6 1 1 A 111 111 THR C C 108 175.417 175.294 0.123 1
1 1327 . 6 1 1 A 111 111 THR CA C 108 61.287 61.846 -0.559 1
1 1328 . 6 1 1 A 111 111 THR CB C 108 68.657 71.565 -2.908 1
1 1330 . 6 1 1 A 111 111 THR N N 108 111.278 114.236 -2.958 1
1 1331 . 6 1 1 A 112 112 LEU H H 109 7.950 7.701 0.249 1
1 1332 . 6 1 1 A 112 112 LEU HA H 109 3.887 4.524 -0.637 1
1 1342 . 6 1 1 A 112 112 LEU C C 109 175.715 176.030 -0.315 1
1 1343 . 6 1 1 A 112 112 LEU CA C 109 56.661 54.005 2.656 1
1 1344 . 6 1 1 A 112 112 LEU CB C 109 43.310 43.910 -0.600 1
1 1348 . 6 1 1 A 112 112 LEU N N 109 122.017 115.389 6.628 1
1 1349 . 6 1 1 A 113 113 LEU H H 110 7.003 7.070 -0.067 1
1 1350 . 6 1 1 A 113 113 LEU HA H 110 4.327 4.558 -0.231 1
1 1360 . 6 1 1 A 113 113 LEU C C 110 175.563 173.869 1.694 1
1 1361 . 6 1 1 A 113 113 LEU CA C 110 52.377 54.367 -1.990 1
1 1362 . 6 1 1 A 113 113 LEU CB C 110 44.890 45.363 -0.473 1
1 1366 . 6 1 1 A 113 113 LEU N N 110 113.184 120.256 -7.072 1
1 1367 . 6 1 1 A 114 114 THR H H 111 9.101 8.706 0.395 1
1 1368 . 6 1 1 A 114 114 THR HA H 111 4.079 4.940 -0.861 1
1 1373 . 6 1 1 A 114 114 THR C C 111 173.117 173.706 -0.589 1
1 1374 . 6 1 1 A 114 114 THR CA C 111 62.838 61.649 1.189 1
1 1375 . 6 1 1 A 114 114 THR CB C 111 68.245 70.476 -2.231 1
1 1377 . 6 1 1 A 114 114 THR N N 111 119.602 121.530 -1.928 1
1 1378 . 6 1 1 A 115 115 LEU H H 112 8.461 8.833 -0.372 1
1 1379 . 6 1 1 A 115 115 LEU HA H 112 4.985 5.302 -0.317 1
1 1389 . 6 1 1 A 115 115 LEU C C 112 178.488 176.893 1.595 1
1 1390 . 6 1 1 A 115 115 LEU CA C 112 52.953 53.530 -0.577 1
1 1391 . 6 1 1 A 115 115 LEU CB C 112 43.316 45.652 -2.336 1
1 1395 . 6 1 1 A 115 115 LEU N N 112 129.372 126.634 2.738 1
1 1396 . 6 1 1 A 116 116 VAL H H 113 8.550 8.777 -0.227 1
1 1397 . 6 1 1 A 116 116 VAL HA H 113 4.141 4.123 0.018 1
1 1405 . 6 1 1 A 116 116 VAL C C 113 175.638 177.369 -1.731 1
1 1406 . 6 1 1 A 116 116 VAL CA C 113 61.559 64.095 -2.536 1
1 1407 . 6 1 1 A 116 116 VAL CB C 113 32.128 32.208 -0.080 1
1 1410 . 6 1 1 A 116 116 VAL N N 113 117.300 120.059 -2.759 1
1 1411 . 6 1 1 A 117 117 ASP H H 114 8.095 7.999 0.096 1
1 1412 . 6 1 1 A 117 117 ASP HA H 114 4.561 4.462 0.099 1
1 1415 . 6 1 1 A 117 117 ASP C C 114 175.610 176.775 -1.165 1
1 1416 . 6 1 1 A 117 117 ASP CA C 114 53.586 57.294 -3.708 1
1 1417 . 6 1 1 A 117 117 ASP CB C 114 41.131 41.489 -0.358 1
1 1418 . 6 1 1 A 117 117 ASP N N 114 121.410 121.366 0.044 1
1 1419 . 6 1 1 A 118 118 GLN H H 115 8.048 7.842 0.206 1
1 1420 . 6 1 1 A 118 118 GLN HA H 115 4.539 4.513 0.026 1
1 1427 . 6 1 1 A 118 118 GLN CA C 115 53.464 54.260 -0.796 1
1 1428 . 6 1 1 A 118 118 GLN CB C 115 29.143 28.147 0.996 1
1 1430 . 6 1 1 A 118 118 GLN N N 115 120.387 118.270 2.117 1
1 1432 . 6 1 1 A 119 119 PRO HA H 116 4.314 4.498 -0.184 1
1 1439 . 6 1 1 A 119 119 PRO C C 116 176.819 176.879 -0.060 1
1 1440 . 6 1 1 A 119 119 PRO CA C 116 63.073 63.168 -0.095 1
1 1441 . 6 1 1 A 119 119 PRO CB C 116 32.117 31.551 0.566 1
1 1444 . 6 1 1 A 120 120 GLN H H 117 8.404 8.569 -0.165 1
1 1445 . 6 1 1 A 120 120 GLN HA H 117 4.172 4.182 -0.010 1
1 1452 . 6 1 1 A 120 120 GLN C C 117 174.745 176.232 -1.487 1
1 1453 . 6 1 1 A 120 120 GLN CA C 117 55.531 55.968 -0.437 1
1 1454 . 6 1 1 A 120 120 GLN CB C 117 29.529 28.556 0.973 1
1 1456 . 6 1 1 A 120 120 GLN N N 117 121.403 122.921 -1.518 1
1 14 . 7 1 1 A 5 5 ARG H H 2 8.281 7.853 0.428 1
1 15 . 7 1 1 A 5 5 ARG HA H 2 4.126 4.072 0.054 1
1 22 . 7 1 1 A 5 5 ARG C C 2 176.387 174.890 1.497 1
1 23 . 7 1 1 A 5 5 ARG CA C 2 56.556 56.746 -0.190 1
1 24 . 7 1 1 A 5 5 ARG CB C 2 30.698 28.978 1.720 1
1 27 . 7 1 1 A 5 5 ARG N N 2 123.269 115.120 8.149 1
1 28 . 7 1 1 A 6 6 LEU H H 3 8.527 8.107 0.420 1
1 29 . 7 1 1 A 6 6 LEU HA H 3 4.414 4.922 -0.508 1
1 39 . 7 1 1 A 6 6 LEU C C 3 178.040 176.765 1.275 1
1 40 . 7 1 1 A 6 6 LEU CA C 3 54.270 53.437 0.833 1
1 41 . 7 1 1 A 6 6 LEU CB C 3 43.612 44.753 -1.141 1
1 45 . 7 1 1 A 6 6 LEU N N 3 125.588 121.289 4.299 1
1 46 . 7 1 1 A 7 7 LYS H H 4 8.646 8.364 0.282 1
1 47 . 7 1 1 A 7 7 LYS HA H 4 4.524 4.421 0.103 1
1 56 . 7 1 1 A 7 7 LYS C C 4 178.029 177.536 0.493 1
1 57 . 7 1 1 A 7 7 LYS CA C 4 57.051 55.579 1.472 1
1 58 . 7 1 1 A 7 7 LYS CB C 4 32.877 33.145 -0.268 1
1 62 . 7 1 1 A 7 7 LYS N N 4 123.765 121.964 1.801 1
1 63 . 7 1 1 A 8 8 SER H H 5 8.316 8.517 -0.201 1
1 64 . 7 1 1 A 8 8 SER HA H 5 3.720 3.865 -0.145 1
1 67 . 7 1 1 A 8 8 SER C C 5 174.858 176.254 -1.396 1
1 68 . 7 1 1 A 8 8 SER CA C 5 63.553 61.855 1.698 1
1 69 . 7 1 1 A 8 8 SER CB C 5 62.382 62.607 -0.225 1
1 70 . 7 1 1 A 8 8 SER N N 5 122.163 114.744 7.419 1
1 71 . 7 1 1 A 9 9 GLU H H 6 8.913 8.138 0.775 1
1 72 . 7 1 1 A 9 9 GLU HA H 6 3.401 3.087 0.314 1
1 77 . 7 1 1 A 9 9 GLU C C 6 177.494 178.688 -1.194 1
1 78 . 7 1 1 A 9 9 GLU CA C 6 59.824 58.838 0.986 1
1 79 . 7 1 1 A 9 9 GLU CB C 6 29.780 29.084 0.696 1
1 81 . 7 1 1 A 9 9 GLU N N 6 118.372 121.309 -2.937 1
1 82 . 7 1 1 A 10 10 MET H H 7 6.642 7.996 -1.354 1
1 83 . 7 1 1 A 10 10 MET HA H 7 4.200 4.183 0.017 1
1 91 . 7 1 1 A 10 10 MET C C 7 178.173 178.278 -0.105 1
1 92 . 7 1 1 A 10 10 MET CA C 7 57.360 58.268 -0.908 1
1 93 . 7 1 1 A 10 10 MET CB C 7 32.761 32.200 0.561 1
1 96 . 7 1 1 A 10 10 MET N N 7 117.318 119.083 -1.765 1
1 97 . 7 1 1 A 11 11 PHE H H 8 8.432 7.885 0.547 1
1 98 . 7 1 1 A 11 11 PHE HA H 8 3.718 4.148 -0.430 1
1 105 . 7 1 1 A 11 11 PHE C C 8 177.603 176.950 0.653 1
1 106 . 7 1 1 A 11 11 PHE CA C 8 61.845 61.324 0.521 1
1 107 . 7 1 1 A 11 11 PHE CB C 8 38.595 38.960 -0.365 1
1 112 . 7 1 1 A 11 11 PHE N N 8 122.099 121.150 0.949 1
1 113 . 7 1 1 A 12 12 VAL H H 9 8.133 8.356 -0.223 1
1 114 . 7 1 1 A 12 12 VAL HA H 9 3.021 3.473 -0.452 1
1 122 . 7 1 1 A 12 12 VAL C C 9 176.668 178.135 -1.467 1
1 123 . 7 1 1 A 12 12 VAL CA C 9 67.353 66.458 0.895 1
1 124 . 7 1 1 A 12 12 VAL CB C 9 31.238 31.355 -0.117 1
1 127 . 7 1 1 A 12 12 VAL N N 9 119.317 118.938 0.379 1
1 128 . 7 1 1 A 13 13 SER H H 10 7.750 7.989 -0.239 1
1 129 . 7 1 1 A 13 13 SER HA H 10 3.905 4.009 -0.104 1
1 132 . 7 1 1 A 13 13 SER C C 10 176.947 176.901 0.046 1
1 133 . 7 1 1 A 13 13 SER CA C 10 61.775 61.517 0.258 1
1 134 . 7 1 1 A 13 13 SER CB C 10 62.483 62.972 -0.489 1
1 135 . 7 1 1 A 13 13 SER N N 10 114.115 115.357 -1.242 1
1 136 . 7 1 1 A 14 14 ALA H H 11 7.776 7.544 0.232 1
1 137 . 7 1 1 A 14 14 ALA HA H 11 3.860 4.017 -0.157 1
1 141 . 7 1 1 A 14 14 ALA C C 11 179.154 179.881 -0.727 1
1 142 . 7 1 1 A 14 14 ALA CA C 11 54.811 54.812 -0.001 1
1 143 . 7 1 1 A 14 14 ALA CB C 11 17.641 18.389 -0.748 1
1 144 . 7 1 1 A 14 14 ALA N N 11 123.170 123.641 -0.471 1
1 145 . 7 1 1 A 15 15 LEU H H 12 7.732 7.956 -0.224 1
1 146 . 7 1 1 A 15 15 LEU HA H 12 3.636 3.844 -0.208 1
1 156 . 7 1 1 A 15 15 LEU C C 12 177.617 178.525 -0.908 1
1 157 . 7 1 1 A 15 15 LEU CA C 12 57.790 57.487 0.303 1
1 158 . 7 1 1 A 15 15 LEU CB C 12 41.352 41.377 -0.025 1
1 162 . 7 1 1 A 15 15 LEU N N 12 121.171 119.436 1.735 1
1 163 . 7 1 1 A 16 16 ILE H H 13 8.037 7.985 0.052 1
1 164 . 7 1 1 A 16 16 ILE HA H 13 3.061 3.567 -0.506 1
1 174 . 7 1 1 A 16 16 ILE C C 13 177.708 178.131 -0.423 1
1 175 . 7 1 1 A 16 16 ILE CA C 13 65.872 64.935 0.937 1
1 176 . 7 1 1 A 16 16 ILE CB C 13 37.704 37.230 0.474 1
1 180 . 7 1 1 A 16 16 ILE N N 13 117.849 120.263 -2.414 1
1 181 . 7 1 1 A 17 17 ARG H H 14 7.537 8.177 -0.640 1
1 182 . 7 1 1 A 17 17 ARG HA H 14 3.980 4.063 -0.083 1
1 189 . 7 1 1 A 17 17 ARG C C 14 179.876 178.895 0.981 1
1 190 . 7 1 1 A 17 17 ARG CA C 14 59.920 59.378 0.542 1
1 191 . 7 1 1 A 17 17 ARG CB C 14 29.995 29.388 0.607 1
1 194 . 7 1 1 A 17 17 ARG N N 14 117.366 120.855 -3.489 1
1 195 . 7 1 1 A 18 18 ARG H H 15 8.068 7.695 0.373 1
1 196 . 7 1 1 A 18 18 ARG HA H 15 3.868 4.022 -0.154 1
1 203 . 7 1 1 A 18 18 ARG C C 15 176.630 178.847 -2.217 1
1 204 . 7 1 1 A 18 18 ARG CA C 15 59.606 59.220 0.386 1
1 205 . 7 1 1 A 18 18 ARG CB C 15 30.327 30.067 0.260 1
1 208 . 7 1 1 A 18 18 ARG N N 15 119.713 119.310 0.403 1
1 209 . 7 1 1 A 19 19 VAL H H 16 8.259 7.468 0.791 1
1 210 . 7 1 1 A 19 19 VAL HA H 16 3.296 3.737 -0.441 1
1 218 . 7 1 1 A 19 19 VAL C C 16 177.306 178.048 -0.742 1
1 219 . 7 1 1 A 19 19 VAL CA C 16 66.667 65.308 1.359 1
1 220 . 7 1 1 A 19 19 VAL CB C 16 30.421 31.526 -1.105 1
1 223 . 7 1 1 A 19 19 VAL N N 16 121.385 116.561 4.824 1
1 224 . 7 1 1 A 20 20 PHE H H 17 8.014 7.797 0.217 1
1 225 . 7 1 1 A 20 20 PHE HA H 17 4.222 4.557 -0.335 1
1 233 . 7 1 1 A 20 20 PHE C C 17 180.973 178.744 2.229 1
1 234 . 7 1 1 A 20 20 PHE CA C 17 61.988 60.916 1.072 1
1 235 . 7 1 1 A 20 20 PHE CB C 17 38.553 38.079 0.474 1
1 241 . 7 1 1 A 20 20 PHE N N 17 118.811 120.106 -1.295 1
1 242 . 7 1 1 A 21 21 ALA H H 18 8.192 8.147 0.045 1
1 243 . 7 1 1 A 21 21 ALA HA H 18 4.096 4.177 -0.081 1
1 247 . 7 1 1 A 21 21 ALA C C 18 178.425 178.993 -0.568 1
1 248 . 7 1 1 A 21 21 ALA CA C 18 54.716 54.531 0.185 1
1 249 . 7 1 1 A 21 21 ALA CB C 18 17.752 18.157 -0.405 1
1 250 . 7 1 1 A 21 21 ALA N N 18 122.995 122.175 0.820 1
1 251 . 7 1 1 A 22 22 ALA H H 19 7.256 7.164 0.092 1
1 252 . 7 1 1 A 22 22 ALA HA H 19 4.356 4.356 0.000 1
1 256 . 7 1 1 A 22 22 ALA C C 19 177.665 177.442 0.223 1
1 257 . 7 1 1 A 22 22 ALA CA C 19 51.629 52.156 -0.527 1
1 258 . 7 1 1 A 22 22 ALA CB C 19 18.554 19.574 -1.020 1
1 259 . 7 1 1 A 22 22 ALA N N 19 118.872 118.017 0.855 1
1 260 . 7 1 1 A 23 23 GLY H H 20 7.774 8.278 -0.504 1
1 261 . 7 1 1 A 23 23 GLY HA2 H 20 4.207 3.949 0.258 1
1 262 . 7 1 1 A 23 23 GLY HA3 H 20 3.762 3.971 -0.209 1
1 263 . 7 1 1 A 23 23 GLY C C 20 174.779 174.468 0.311 1
1 264 . 7 1 1 A 23 23 GLY CA C 20 45.347 45.727 -0.380 1
1 265 . 7 1 1 A 23 23 GLY N N 20 106.718 107.306 -0.588 1
1 266 . 7 1 1 A 24 24 GLY H H 21 7.795 8.185 -0.390 1
1 267 . 7 1 1 A 24 24 GLY HA2 H 21 4.538 3.954 0.584 1
1 268 . 7 1 1 A 24 24 GLY HA3 H 21 3.306 4.001 -0.695 1
1 269 . 7 1 1 A 24 24 GLY C C 21 171.187 172.084 -0.897 1
1 270 . 7 1 1 A 24 24 GLY CA C 21 43.665 44.215 -0.550 1
1 271 . 7 1 1 A 24 24 GLY N N 21 108.369 108.002 0.367 1
1 272 . 7 1 1 A 25 25 PHE H H 22 7.340 8.635 -1.295 1
1 273 . 7 1 1 A 25 25 PHE HA H 22 3.784 4.301 -0.517 1
1 280 . 7 1 1 A 25 25 PHE C C 22 172.423 173.643 -1.220 1
1 281 . 7 1 1 A 25 25 PHE CA C 22 56.434 55.886 0.548 1
1 282 . 7 1 1 A 25 25 PHE CB C 22 42.819 42.756 0.063 1
1 287 . 7 1 1 A 25 25 PHE N N 22 117.754 120.903 -3.149 1
1 288 . 7 1 1 A 26 26 ALA H H 23 5.579 7.467 -1.888 1
1 289 . 7 1 1 A 26 26 ALA HA H 23 4.943 5.236 -0.293 1
1 293 . 7 1 1 A 26 26 ALA C C 23 173.842 175.138 -1.296 1
1 294 . 7 1 1 A 26 26 ALA CA C 23 50.257 51.019 -0.762 1
1 295 . 7 1 1 A 26 26 ALA CB C 23 25.150 23.410 1.740 1
1 296 . 7 1 1 A 26 26 ALA N N 23 126.477 127.216 -0.739 1
1 297 . 7 1 1 A 27 27 ALA H H 24 8.723 8.105 0.618 1
1 298 . 7 1 1 A 27 27 ALA HA H 24 4.330 4.822 -0.492 1
1 302 . 7 1 1 A 27 27 ALA C C 24 175.543 175.990 -0.447 1
1 303 . 7 1 1 A 27 27 ALA CA C 24 51.545 51.714 -0.169 1
1 304 . 7 1 1 A 27 27 ALA CB C 24 22.974 22.992 -0.018 1
1 305 . 7 1 1 A 27 27 ALA N N 24 118.178 119.418 -1.240 1
1 306 . 7 1 1 A 28 28 VAL H H 25 8.841 9.056 -0.215 1
1 307 . 7 1 1 A 28 28 VAL HA H 25 3.972 4.265 -0.293 1
1 315 . 7 1 1 A 28 28 VAL C C 25 175.547 175.392 0.155 1
1 316 . 7 1 1 A 28 28 VAL CA C 25 64.153 62.646 1.507 1
1 317 . 7 1 1 A 28 28 VAL CB C 25 31.951 31.329 0.622 1
1 320 . 7 1 1 A 28 28 VAL N N 25 120.857 122.536 -1.679 1
1 321 . 7 1 1 A 29 29 GLU H H 26 8.595 8.899 -0.304 1
1 322 . 7 1 1 A 29 29 GLU HA H 26 4.275 4.332 -0.057 1
1 327 . 7 1 1 A 29 29 GLU C C 26 176.177 176.211 -0.034 1
1 328 . 7 1 1 A 29 29 GLU CA C 26 57.686 58.548 -0.862 1
1 329 . 7 1 1 A 29 29 GLU CB C 26 30.521 30.751 -0.230 1
1 331 . 7 1 1 A 29 29 GLU N N 26 132.091 127.971 4.120 1
1 332 . 7 1 1 A 30 30 LYS H H 27 8.163 7.770 0.393 1
1 333 . 7 1 1 A 30 30 LYS HA H 27 4.352 4.866 -0.514 1
1 342 . 7 1 1 A 30 30 LYS C C 27 174.232 174.552 -0.320 1
1 343 . 7 1 1 A 30 30 LYS CA C 27 55.370 54.641 0.729 1
1 344 . 7 1 1 A 30 30 LYS CB C 27 36.138 35.544 0.594 1
1 348 . 7 1 1 A 30 30 LYS N N 27 119.899 119.108 0.791 1
1 349 . 7 1 1 A 31 31 LYS H H 28 8.603 8.608 -0.005 1
1 350 . 7 1 1 A 31 31 LYS HA H 28 3.268 4.168 -0.900 1
1 359 . 7 1 1 A 31 31 LYS C C 28 175.170 174.702 0.468 1
1 360 . 7 1 1 A 31 31 LYS CA C 28 56.089 53.843 2.246 1
1 361 . 7 1 1 A 31 31 LYS CB C 28 32.386 35.642 -3.256 1
1 365 . 7 1 1 A 31 31 LYS N N 28 129.067 126.035 3.032 1
1 366 . 7 1 1 A 32 32 GLY H H 29 3.335 6.902 -3.567 1
1 367 . 7 1 1 A 32 32 GLY HA2 H 29 3.652 4.037 -0.385 1
1 368 . 7 1 1 A 32 32 GLY HA3 H 29 2.313 4.099 -1.786 1
1 369 . 7 1 1 A 32 32 GLY C C 29 172.863 173.192 -0.329 1
1 370 . 7 1 1 A 32 32 GLY CA C 29 43.344 44.666 -1.322 1
1 371 . 7 1 1 A 32 32 GLY N N 29 113.639 111.741 1.898 1
1 372 . 7 1 1 A 33 33 ALA H H 30 8.202 8.436 -0.234 1
1 373 . 7 1 1 A 33 33 ALA HA H 30 4.173 4.431 -0.258 1
1 377 . 7 1 1 A 33 33 ALA C C 30 181.026 178.498 2.528 1
1 378 . 7 1 1 A 33 33 ALA CA C 30 52.674 52.605 0.069 1
1 379 . 7 1 1 A 33 33 ALA CB C 30 19.020 19.025 -0.005 1
1 380 . 7 1 1 A 33 33 ALA N N 30 121.182 125.186 -4.004 1
1 381 . 7 1 1 A 34 34 GLU H H 31 9.313 9.272 0.041 1
1 382 . 7 1 1 A 34 34 GLU HA H 31 4.130 4.344 -0.214 1
1 387 . 7 1 1 A 34 34 GLU C C 31 177.137 178.399 -1.262 1
1 388 . 7 1 1 A 34 34 GLU CA C 31 61.214 59.464 1.750 1
1 389 . 7 1 1 A 34 34 GLU CB C 31 29.947 29.841 0.106 1
1 391 . 7 1 1 A 34 34 GLU N N 31 126.206 125.123 1.083 1
1 392 . 7 1 1 A 35 35 ALA H H 32 8.614 7.894 0.720 1
1 393 . 7 1 1 A 35 35 ALA HA H 32 4.377 4.293 0.084 1
1 397 . 7 1 1 A 35 35 ALA C C 32 180.260 178.459 1.801 1
1 398 . 7 1 1 A 35 35 ALA CA C 32 55.118 54.611 0.507 1
1 399 . 7 1 1 A 35 35 ALA CB C 32 18.192 19.547 -1.355 1
1 400 . 7 1 1 A 35 35 ALA N N 32 119.251 122.364 -3.113 1
1 401 . 7 1 1 A 36 36 ALA H H 33 8.467 7.967 0.500 1
1 402 . 7 1 1 A 36 36 ALA HA H 33 4.612 4.398 0.214 1
1 406 . 7 1 1 A 36 36 ALA C C 33 177.468 177.580 -0.112 1
1 407 . 7 1 1 A 36 36 ALA CA C 33 51.190 51.350 -0.160 1
1 408 . 7 1 1 A 36 36 ALA CB C 33 19.451 19.587 -0.136 1
1 409 . 7 1 1 A 36 36 ALA N N 33 120.927 116.909 4.018 1
1 410 . 7 1 1 A 37 37 GLY H H 34 7.445 7.812 -0.367 1
1 411 . 7 1 1 A 37 37 GLY HA2 H 34 4.143 4.141 0.002 1
1 412 . 7 1 1 A 37 37 GLY HA3 H 34 4.010 4.283 -0.273 1
1 413 . 7 1 1 A 37 37 GLY C C 34 174.885 173.423 1.462 1
1 414 . 7 1 1 A 37 37 GLY CA C 34 46.790 45.483 1.307 1
1 415 . 7 1 1 A 37 37 GLY N N 34 105.715 106.882 -1.167 1
1 416 . 7 1 1 A 38 38 ALA H H 35 9.722 8.326 1.396 1
1 417 . 7 1 1 A 38 38 ALA HA H 35 4.053 4.417 -0.364 1
1 421 . 7 1 1 A 38 38 ALA CA C 35 52.676 51.976 0.700 1
1 422 . 7 1 1 A 38 38 ALA CB C 35 20.069 20.052 0.017 1
1 423 . 7 1 1 A 38 38 ALA N N 35 131.782 122.333 9.449 1
1 424 . 7 1 1 A 39 39 ILE H H 36 7.776 8.548 -0.772 1
1 425 . 7 1 1 A 39 39 ILE HA H 36 4.533 4.954 -0.421 1
1 435 . 7 1 1 A 39 39 ILE C C 36 172.754 174.899 -2.145 1
1 436 . 7 1 1 A 39 39 ILE CA C 36 61.429 60.810 0.619 1
1 437 . 7 1 1 A 39 39 ILE CB C 36 40.275 40.302 -0.027 1
1 441 . 7 1 1 A 39 39 ILE N N 36 119.692 120.597 -0.905 1
1 442 . 7 1 1 A 40 40 PHE H H 37 8.513 9.324 -0.811 1
1 443 . 7 1 1 A 40 40 PHE HA H 37 5.242 5.739 -0.497 1
1 448 . 7 1 1 A 40 40 PHE C C 37 175.559 174.581 0.978 1
1 449 . 7 1 1 A 40 40 PHE CA C 37 56.375 56.904 -0.529 1
1 450 . 7 1 1 A 40 40 PHE CB C 37 41.794 40.247 1.547 1
1 453 . 7 1 1 A 40 40 PHE N N 37 123.003 125.807 -2.804 1
1 454 . 7 1 1 A 41 41 VAL H H 38 8.898 9.430 -0.532 1
1 455 . 7 1 1 A 41 41 VAL HA H 38 4.981 4.763 0.218 1
1 463 . 7 1 1 A 41 41 VAL C C 38 174.233 175.377 -1.144 1
1 464 . 7 1 1 A 41 41 VAL CA C 38 60.287 61.403 -1.116 1
1 465 . 7 1 1 A 41 41 VAL CB C 38 35.122 33.988 1.134 1
1 468 . 7 1 1 A 41 41 VAL N N 38 120.239 123.607 -3.368 1
1 469 . 7 1 1 A 42 42 ARG H H 39 9.399 9.036 0.363 1
1 470 . 7 1 1 A 42 42 ARG HA H 39 5.094 5.478 -0.384 1
1 478 . 7 1 1 A 42 42 ARG C C 39 173.198 174.630 -1.432 1
1 479 . 7 1 1 A 42 42 ARG CA C 39 54.067 55.117 -1.050 1
1 480 . 7 1 1 A 42 42 ARG CB C 39 33.430 31.933 1.497 1
1 483 . 7 1 1 A 42 42 ARG N N 39 129.107 125.408 3.699 1
1 485 . 7 1 1 A 43 43 GLN H H 40 9.402 8.564 0.838 1
1 486 . 7 1 1 A 43 43 GLN HA H 40 5.371 4.948 0.423 1
1 493 . 7 1 1 A 43 43 GLN C C 40 174.278 174.867 -0.589 1
1 494 . 7 1 1 A 43 43 GLN CA C 40 52.778 55.441 -2.663 1
1 495 . 7 1 1 A 43 43 GLN CB C 40 31.703 30.177 1.526 1
1 497 . 7 1 1 A 43 43 GLN N N 40 127.936 124.886 3.050 1
1 499 . 7 1 1 A 44 44 ARG H H 41 8.875 8.795 0.080 1
1 500 . 7 1 1 A 44 44 ARG HA H 41 4.488 5.117 -0.629 1
1 507 . 7 1 1 A 44 44 ARG C C 41 175.417 174.855 0.562 1
1 508 . 7 1 1 A 44 44 ARG CA C 41 56.319 54.872 1.447 1
1 509 . 7 1 1 A 44 44 ARG CB C 41 31.231 32.494 -1.263 1
1 512 . 7 1 1 A 44 44 ARG N N 41 127.617 128.326 -0.709 1
1 513 . 7 1 1 A 45 45 LEU H H 42 8.494 8.832 -0.338 1
1 514 . 7 1 1 A 45 45 LEU HA H 42 4.480 4.995 -0.515 1
1 524 . 7 1 1 A 45 45 LEU C C 42 179.893 177.789 2.104 1
1 525 . 7 1 1 A 45 45 LEU CA C 42 53.972 53.179 0.793 1
1 526 . 7 1 1 A 45 45 LEU CB C 42 42.206 44.659 -2.453 1
1 530 . 7 1 1 A 45 45 LEU N N 42 125.380 126.793 -1.413 1
1 531 . 7 1 1 A 46 46 ARG H H 43 9.223 8.878 0.345 1
1 532 . 7 1 1 A 46 46 ARG HA H 43 3.929 4.067 -0.138 1
1 539 . 7 1 1 A 46 46 ARG C C 43 177.114 177.559 -0.445 1
1 540 . 7 1 1 A 46 46 ARG CA C 43 58.773 58.569 0.204 1
1 541 . 7 1 1 A 46 46 ARG CB C 43 29.688 29.934 -0.246 1
1 544 . 7 1 1 A 46 46 ARG N N 43 121.380 122.648 -1.268 1
1 545 . 7 1 1 A 47 47 ASP H H 44 7.727 7.946 -0.219 1
1 546 . 7 1 1 A 47 47 ASP HA H 44 4.373 4.580 -0.207 1
1 549 . 7 1 1 A 47 47 ASP C C 44 177.125 176.559 0.566 1
1 550 . 7 1 1 A 47 47 ASP CA C 44 53.256 54.202 -0.946 1
1 551 . 7 1 1 A 47 47 ASP CB C 44 39.993 40.939 -0.946 1
1 552 . 7 1 1 A 47 47 ASP N N 44 115.801 117.909 -2.108 1
1 553 . 7 1 1 A 48 48 GLY H H 45 7.878 7.878 0.000 1
1 554 . 7 1 1 A 48 48 GLY HA2 H 45 4.237 3.932 0.305 1
1 555 . 7 1 1 A 48 48 GLY HA3 H 45 3.531 3.932 -0.401 1
1 556 . 7 1 1 A 48 48 GLY C C 45 175.041 174.314 0.727 1
1 557 . 7 1 1 A 48 48 GLY CA C 45 45.289 45.117 0.172 1
1 558 . 7 1 1 A 48 48 GLY N N 45 108.005 107.005 1.000 1
1 559 . 7 1 1 A 49 49 ARG H H 46 7.696 7.831 -0.135 1
1 560 . 7 1 1 A 49 49 ARG HA H 46 4.309 4.708 -0.399 1
1 567 . 7 1 1 A 49 49 ARG C C 46 174.199 175.295 -1.096 1
1 568 . 7 1 1 A 49 49 ARG CA C 46 55.909 55.212 0.697 1
1 569 . 7 1 1 A 49 49 ARG CB C 46 31.226 32.208 -0.982 1
1 572 . 7 1 1 A 49 49 ARG N N 46 120.601 120.403 0.198 1
1 573 . 7 1 1 A 50 50 GLU H H 47 8.885 8.724 0.161 1
1 574 . 7 1 1 A 50 50 GLU HA H 47 5.381 5.494 -0.113 1
1 579 . 7 1 1 A 50 50 GLU C C 47 175.590 175.134 0.456 1
1 580 . 7 1 1 A 50 50 GLU CA C 47 55.057 54.859 0.198 1
1 581 . 7 1 1 A 50 50 GLU CB C 47 35.650 34.163 1.487 1
1 583 . 7 1 1 A 50 50 GLU N N 47 116.439 118.605 -2.166 1
1 584 . 7 1 1 A 51 51 ASN H H 48 8.683 8.899 -0.216 1
1 585 . 7 1 1 A 51 51 ASN HA H 48 5.153 5.362 -0.209 1
1 590 . 7 1 1 A 51 51 ASN C C 48 173.562 174.105 -0.543 1
1 591 . 7 1 1 A 51 51 ASN CA C 48 50.361 51.768 -1.407 1
1 592 . 7 1 1 A 51 51 ASN CB C 48 41.823 42.102 -0.279 1
1 593 . 7 1 1 A 51 51 ASN N N 48 114.752 118.319 -3.567 1
1 595 . 7 1 1 A 52 52 LEU H H 49 8.847 8.805 0.042 1
1 596 . 7 1 1 A 52 52 LEU HA H 49 5.274 5.168 0.106 1
1 606 . 7 1 1 A 52 52 LEU C C 49 174.213 173.638 0.575 1
1 607 . 7 1 1 A 52 52 LEU CA C 49 52.889 52.588 0.301 1
1 608 . 7 1 1 A 52 52 LEU CB C 49 46.300 46.372 -0.072 1
1 612 . 7 1 1 A 52 52 LEU N N 49 120.365 122.920 -2.555 1
1 613 . 7 1 1 A 53 53 TYR H H 50 9.641 8.998 0.643 1
1 614 . 7 1 1 A 53 53 TYR HA H 50 5.519 5.571 -0.052 1
1 621 . 7 1 1 A 53 53 TYR C C 50 175.473 175.537 -0.064 1
1 622 . 7 1 1 A 53 53 TYR CA C 50 55.928 55.563 0.365 1
1 623 . 7 1 1 A 53 53 TYR CB C 50 40.076 43.164 -3.088 1
1 628 . 7 1 1 A 53 53 TYR N N 50 127.507 124.264 3.243 1
1 629 . 7 1 1 A 54 54 GLY H H 51 8.893 8.299 0.594 1
1 630 . 7 1 1 A 54 54 GLY HA2 H 51 4.687 3.439 1.248 1
1 631 . 7 1 1 A 54 54 GLY HA3 H 51 3.127 3.453 -0.326 1
1 632 . 7 1 1 A 54 54 GLY CA C 51 44.040 44.484 -0.444 1
1 633 . 7 1 1 A 54 54 GLY N N 51 108.518 108.826 -0.308 1
1 634 . 7 1 1 A 55 55 PRO HA H 52 3.849 4.001 -0.152 1
1 641 . 7 1 1 A 55 55 PRO C C 52 176.695 176.724 -0.029 1
1 642 . 7 1 1 A 55 55 PRO CA C 52 63.187 62.147 1.040 1
1 643 . 7 1 1 A 55 55 PRO CB C 52 32.096 31.299 0.797 1
1 646 . 7 1 1 A 56 56 ALA H H 53 7.675 7.889 -0.214 1
1 647 . 7 1 1 A 56 56 ALA HA H 53 4.242 4.481 -0.239 1
1 651 . 7 1 1 A 56 56 ALA CA C 53 49.506 50.786 -1.280 1
1 652 . 7 1 1 A 56 56 ALA CB C 53 18.096 17.787 0.309 1
1 653 . 7 1 1 A 56 56 ALA N N 53 126.695 124.016 2.679 1
1 654 . 7 1 1 A 57 57 PRO HA H 54 4.186 4.630 -0.444 1
1 661 . 7 1 1 A 57 57 PRO C C 54 179.368 175.509 3.859 1
1 662 . 7 1 1 A 57 57 PRO CA C 54 63.116 62.221 0.895 1
1 663 . 7 1 1 A 57 57 PRO CB C 54 31.747 29.212 2.535 1
1 666 . 7 1 1 A 58 58 GLN H H 55 8.278 8.455 -0.177 1
1 667 . 7 1 1 A 58 58 GLN HA H 55 4.083 4.516 -0.433 1
1 674 . 7 1 1 A 58 58 GLN C C 55 175.368 175.351 0.017 1
1 675 . 7 1 1 A 58 58 GLN CA C 55 55.635 55.583 0.052 1
1 676 . 7 1 1 A 58 58 GLN CB C 55 29.927 29.426 0.501 1
1 678 . 7 1 1 A 58 58 GLN N N 55 121.313 123.152 -1.839 1
1 680 . 7 1 1 A 59 59 SER H H 56 8.182 8.599 -0.417 1
1 681 . 7 1 1 A 59 59 SER HA H 56 4.246 4.328 -0.082 1
1 684 . 7 1 1 A 59 59 SER C C 56 174.075 173.827 0.248 1
1 685 . 7 1 1 A 59 59 SER CA C 56 57.667 57.472 0.195 1
1 686 . 7 1 1 A 59 59 SER CB C 56 63.751 62.260 1.491 1
1 687 . 7 1 1 A 59 59 SER N N 56 117.615 119.502 -1.887 1
1 688 . 7 1 1 A 60 60 PHE H H 57 8.100 7.610 0.490 1
1 689 . 7 1 1 A 60 60 PHE HA H 57 4.493 4.770 -0.277 1
1 696 . 7 1 1 A 60 60 PHE C C 57 175.439 175.255 0.184 1
1 697 . 7 1 1 A 60 60 PHE CA C 57 57.622 55.961 1.661 1
1 698 . 7 1 1 A 60 60 PHE CB C 57 39.519 40.002 -0.483 1
1 703 . 7 1 1 A 60 60 PHE N N 57 121.890 121.065 0.825 1
1 704 . 7 1 1 A 61 61 ALA H H 58 8.234 8.460 -0.226 1
1 705 . 7 1 1 A 61 61 ALA HA H 58 4.165 4.559 -0.394 1
1 709 . 7 1 1 A 61 61 ALA C C 58 179.286 176.982 2.304 1
1 710 . 7 1 1 A 61 61 ALA CA C 58 52.471 50.505 1.966 1
1 711 . 7 1 1 A 61 61 ALA CB C 58 19.444 17.837 1.607 1
1 712 . 7 1 1 A 61 61 ALA N N 58 124.383 124.746 -0.363 1
1 713 . 7 1 1 A 62 62 ASP H H 59 8.017 8.906 -0.889 1
1 714 . 7 1 1 A 62 62 ASP HA H 59 4.412 4.380 0.032 1
1 717 . 7 1 1 A 62 62 ASP C C 59 176.073 174.771 1.302 1
1 718 . 7 1 1 A 62 62 ASP CA C 59 54.360 55.137 -0.777 1
1 719 . 7 1 1 A 62 62 ASP CB C 59 41.213 39.604 1.609 1
1 720 . 7 1 1 A 62 62 ASP N N 59 118.579 123.136 -4.557 1
1 721 . 7 1 1 A 63 63 ASP H H 60 8.096 8.699 -0.603 1
1 722 . 7 1 1 A 63 63 ASP HA H 60 4.346 3.942 0.404 1
1 725 . 7 1 1 A 63 63 ASP C C 60 176.619 175.648 0.971 1
1 726 . 7 1 1 A 63 63 ASP CA C 60 54.714 55.562 -0.848 1
1 727 . 7 1 1 A 63 63 ASP CB C 60 40.801 39.010 1.791 1
1 728 . 7 1 1 A 63 63 ASP N N 60 119.530 111.111 8.419 1
1 729 . 7 1 1 A 64 64 GLU H H 61 8.109 8.151 -0.042 1
1 730 . 7 1 1 A 64 64 GLU HA H 61 4.012 4.034 -0.022 1
1 735 . 7 1 1 A 64 64 GLU C C 61 176.652 178.811 -2.159 1
1 736 . 7 1 1 A 64 64 GLU CA C 61 57.301 58.974 -1.673 1
1 737 . 7 1 1 A 64 64 GLU CB C 61 30.107 29.275 0.832 1
1 739 . 7 1 1 A 64 64 GLU N N 61 120.050 118.773 1.277 1
1 740 . 7 1 1 A 65 65 ASP H H 62 8.062 8.394 -0.332 1
1 741 . 7 1 1 A 65 65 ASP HA H 62 4.369 4.407 -0.038 1
1 744 . 7 1 1 A 65 65 ASP C C 62 177.458 178.304 -0.846 1
1 745 . 7 1 1 A 65 65 ASP CA C 62 54.645 56.399 -1.754 1
1 746 . 7 1 1 A 65 65 ASP CB C 62 40.896 40.492 0.404 1
1 747 . 7 1 1 A 65 65 ASP N N 62 120.211 119.908 0.303 1
1 748 . 7 1 1 A 66 66 ILE H H 63 7.805 7.623 0.182 1
1 749 . 7 1 1 A 66 66 ILE HA H 63 3.708 3.694 0.014 1
1 759 . 7 1 1 A 66 66 ILE C C 63 176.802 177.775 -0.973 1
1 760 . 7 1 1 A 66 66 ILE CA C 63 62.754 64.511 -1.757 1
1 761 . 7 1 1 A 66 66 ILE CB C 63 38.230 37.962 0.268 1
1 765 . 7 1 1 A 66 66 ILE N N 63 121.259 120.455 0.804 1
1 766 . 7 1 1 A 67 67 MET H H 64 7.950 7.860 0.090 1
1 767 . 7 1 1 A 67 67 MET HA H 64 4.229 4.563 -0.334 1
1 775 . 7 1 1 A 67 67 MET C C 64 176.724 177.090 -0.366 1
1 776 . 7 1 1 A 67 67 MET CA C 64 55.944 56.218 -0.274 1
1 777 . 7 1 1 A 67 67 MET CB C 64 31.826 34.394 -2.568 1
1 780 . 7 1 1 A 67 67 MET N N 64 118.533 117.488 1.045 1
1 781 . 7 1 1 A 68 68 ARG H H 65 7.604 8.135 -0.531 1
1 782 . 7 1 1 A 68 68 ARG HA H 65 4.197 4.309 -0.112 1
1 789 . 7 1 1 A 68 68 ARG C C 65 175.530 175.943 -0.413 1
1 790 . 7 1 1 A 68 68 ARG CA C 65 56.028 56.851 -0.823 1
1 791 . 7 1 1 A 68 68 ARG CB C 65 30.760 30.901 -0.141 1
1 794 . 7 1 1 A 68 68 ARG N N 65 118.706 117.280 1.426 1
1 795 . 7 1 1 A 69 69 ALA H H 66 7.634 7.641 -0.007 1
1 796 . 7 1 1 A 69 69 ALA HA H 66 4.254 4.838 -0.584 1
1 800 . 7 1 1 A 69 69 ALA C C 66 176.846 174.936 1.910 1
1 801 . 7 1 1 A 69 69 ALA CA C 66 51.905 50.448 1.457 1
1 802 . 7 1 1 A 69 69 ALA CB C 66 20.023 22.724 -2.701 1
1 803 . 7 1 1 A 69 69 ALA N N 66 123.528 119.983 3.545 1
1 804 . 7 1 1 A 70 70 GLU H H 67 8.192 8.602 -0.410 1
1 805 . 7 1 1 A 70 70 GLU HA H 67 4.228 4.546 -0.318 1
1 810 . 7 1 1 A 70 70 GLU C C 67 176.333 175.998 0.335 1
1 811 . 7 1 1 A 70 70 GLU CA C 67 55.928 56.056 -0.128 1
1 812 . 7 1 1 A 70 70 GLU CB C 67 30.769 30.609 0.160 1
1 814 . 7 1 1 A 70 70 GLU N N 67 120.599 121.041 -0.442 1
1 815 . 7 1 1 A 71 71 ARG H H 68 8.674 8.394 0.280 1
1 816 . 7 1 1 A 71 71 ARG HA H 68 3.696 4.068 -0.372 1
1 823 . 7 1 1 A 71 71 ARG C C 68 175.422 175.279 0.143 1
1 824 . 7 1 1 A 71 71 ARG CA C 68 56.964 56.276 0.688 1
1 825 . 7 1 1 A 71 71 ARG CB C 68 30.886 30.213 0.673 1
1 828 . 7 1 1 A 71 71 ARG N N 68 123.533 125.056 -1.523 1
1 829 . 7 1 1 A 72 72 ARG H H 69 7.660 8.645 -0.985 1
1 830 . 7 1 1 A 72 72 ARG HA H 69 4.642 4.991 -0.349 1
1 837 . 7 1 1 A 72 72 ARG C C 69 175.051 175.488 -0.437 1
1 838 . 7 1 1 A 72 72 ARG CA C 69 54.297 55.073 -0.776 1
1 839 . 7 1 1 A 72 72 ARG CB C 69 33.555 32.450 1.105 1
1 842 . 7 1 1 A 72 72 ARG N N 69 120.057 124.107 -4.050 1
1 843 . 7 1 1 A 73 73 PHE H H 70 8.714 8.819 -0.105 1
1 844 . 7 1 1 A 73 73 PHE HA H 70 5.020 5.087 -0.067 1
1 852 . 7 1 1 A 73 73 PHE C C 70 173.159 174.795 -1.636 1
1 853 . 7 1 1 A 73 73 PHE CA C 70 57.359 57.164 0.195 1
1 854 . 7 1 1 A 73 73 PHE CB C 70 43.426 42.028 1.398 1
1 860 . 7 1 1 A 73 73 PHE N N 70 119.519 124.083 -4.564 1
1 861 . 7 1 1 A 74 74 GLU H H 71 9.404 9.252 0.152 1
1 862 . 7 1 1 A 74 74 GLU HA H 71 4.996 5.167 -0.171 1
1 867 . 7 1 1 A 74 74 GLU C C 71 175.559 175.010 0.549 1
1 868 . 7 1 1 A 74 74 GLU CA C 71 52.975 54.377 -1.402 1
1 869 . 7 1 1 A 74 74 GLU CB C 71 33.399 33.648 -0.249 1
1 871 . 7 1 1 A 74 74 GLU N N 71 117.679 118.615 -0.936 1
1 872 . 7 1 1 A 75 75 THR H H 72 9.801 9.070 0.731 1
1 873 . 7 1 1 A 75 75 THR HA H 72 4.108 4.966 -0.858 1
1 878 . 7 1 1 A 75 75 THR C C 72 175.065 174.054 1.011 1
1 879 . 7 1 1 A 75 75 THR CA C 72 64.296 62.062 2.234 1
1 880 . 7 1 1 A 75 75 THR CB C 72 67.635 69.269 -1.634 1
1 882 . 7 1 1 A 75 75 THR N N 72 122.320 117.736 4.584 1
1 883 . 7 1 1 A 76 76 ARG H H 73 9.150 8.806 0.344 1
1 884 . 7 1 1 A 76 76 ARG HA H 73 4.283 4.276 0.007 1
1 892 . 7 1 1 A 76 76 ARG C C 73 176.574 176.704 -0.130 1
1 893 . 7 1 1 A 76 76 ARG CA C 73 55.858 58.436 -2.578 1
1 894 . 7 1 1 A 76 76 ARG CB C 73 30.930 31.017 -0.087 1
1 897 . 7 1 1 A 76 76 ARG N N 73 127.709 127.959 -0.250 1
1 899 . 7 1 1 A 77 77 LEU H H 74 7.520 7.386 0.134 1
1 900 . 7 1 1 A 77 77 LEU HA H 74 4.480 4.944 -0.464 1
1 910 . 7 1 1 A 77 77 LEU C C 74 174.509 175.295 -0.786 1
1 911 . 7 1 1 A 77 77 LEU CA C 74 54.222 53.255 0.967 1
1 912 . 7 1 1 A 77 77 LEU CB C 74 47.315 46.023 1.292 1
1 916 . 7 1 1 A 77 77 LEU N N 74 117.021 118.132 -1.111 1
1 917 . 7 1 1 A 78 78 ALA H H 75 8.600 8.430 0.170 1
1 918 . 7 1 1 A 78 78 ALA HA H 75 4.999 4.915 0.084 1
1 922 . 7 1 1 A 78 78 ALA C C 75 176.343 177.108 -0.765 1
1 923 . 7 1 1 A 78 78 ALA CA C 75 50.324 51.799 -1.475 1
1 924 . 7 1 1 A 78 78 ALA CB C 75 21.074 22.447 -1.373 1
1 925 . 7 1 1 A 78 78 ALA N N 75 124.663 122.221 2.442 1
1 926 . 7 1 1 A 79 79 GLY H H 76 8.730 8.515 0.215 1
1 927 . 7 1 1 A 79 79 GLY HA2 H 76 3.706 3.842 -0.136 1
1 928 . 7 1 1 A 79 79 GLY HA3 H 76 3.306 3.844 -0.538 1
1 929 . 7 1 1 A 79 79 GLY C C 76 175.173 174.085 1.088 1
1 930 . 7 1 1 A 79 79 GLY CA C 76 47.520 46.600 0.920 1
1 931 . 7 1 1 A 79 79 GLY N N 76 114.411 111.181 3.230 1
1 932 . 7 1 1 A 80 80 VAL H H 77 8.380 7.745 0.635 1
1 933 . 7 1 1 A 80 80 VAL HA H 77 4.643 4.533 0.110 1
1 941 . 7 1 1 A 80 80 VAL C C 77 175.208 175.355 -0.147 1
1 942 . 7 1 1 A 80 80 VAL CA C 77 59.289 60.043 -0.754 1
1 943 . 7 1 1 A 80 80 VAL CB C 77 34.226 33.983 0.243 1
1 946 . 7 1 1 A 80 80 VAL N N 77 112.611 117.150 -4.539 1
1 947 . 7 1 1 A 81 81 GLU H H 78 8.415 8.484 -0.069 1
1 948 . 7 1 1 A 81 81 GLU HA H 78 4.451 4.655 -0.204 1
1 953 . 7 1 1 A 81 81 GLU C C 78 178.955 177.922 1.033 1
1 954 . 7 1 1 A 81 81 GLU CA C 78 55.631 54.697 0.934 1
1 955 . 7 1 1 A 81 81 GLU CB C 78 30.535 30.429 0.106 1
1 957 . 7 1 1 A 81 81 GLU N N 78 117.186 121.535 -4.349 1
1 958 . 7 1 1 A 82 82 GLY H H 79 8.834 8.743 0.091 1
1 959 . 7 1 1 A 82 82 GLY HA2 H 79 3.810 3.846 -0.036 1
1 960 . 7 1 1 A 82 82 GLY HA3 H 79 3.518 3.847 -0.329 1
1 961 . 7 1 1 A 82 82 GLY C C 79 176.446 175.702 0.744 1
1 962 . 7 1 1 A 82 82 GLY CA C 79 47.629 47.188 0.441 1
1 963 . 7 1 1 A 82 82 GLY N N 79 109.312 108.220 1.092 1
1 964 . 7 1 1 A 83 83 GLU H H 80 8.747 8.282 0.465 1
1 965 . 7 1 1 A 83 83 GLU HA H 80 3.972 4.002 -0.030 1
1 970 . 7 1 1 A 83 83 GLU C C 80 179.046 178.894 0.152 1
1 971 . 7 1 1 A 83 83 GLU CA C 80 59.403 59.483 -0.080 1
1 972 . 7 1 1 A 83 83 GLU CB C 80 29.005 29.230 -0.225 1
1 974 . 7 1 1 A 83 83 GLU N N 80 119.416 121.811 -2.395 1
1 975 . 7 1 1 A 84 84 GLU H H 81 7.588 7.766 -0.178 1
1 976 . 7 1 1 A 84 84 GLU HA H 81 4.003 4.047 -0.044 1
1 981 . 7 1 1 A 84 84 GLU C C 81 179.682 179.330 0.352 1
1 982 . 7 1 1 A 84 84 GLU CA C 81 59.213 59.072 0.141 1
1 983 . 7 1 1 A 84 84 GLU CB C 81 29.473 29.365 0.108 1
1 985 . 7 1 1 A 84 84 GLU N N 81 120.110 118.942 1.168 1
1 986 . 7 1 1 A 85 85 ILE H H 82 6.936 7.663 -0.727 1
1 987 . 7 1 1 A 85 85 ILE HA H 82 3.356 3.574 -0.218 1
1 997 . 7 1 1 A 85 85 ILE C C 82 177.308 178.026 -0.718 1
1 998 . 7 1 1 A 85 85 ILE CA C 82 64.055 65.847 -1.792 1
1 999 . 7 1 1 A 85 85 ILE CB C 82 36.836 38.358 -1.522 1
1 1003 . 7 1 1 A 85 85 ILE N N 82 120.268 121.758 -1.490 1
1 1004 . 7 1 1 A 86 86 ALA H H 83 8.292 8.219 0.073 1
1 1005 . 7 1 1 A 86 86 ALA HA H 83 3.787 4.053 -0.266 1
1 1009 . 7 1 1 A 86 86 ALA C C 83 180.345 179.629 0.716 1
1 1010 . 7 1 1 A 86 86 ALA CA C 83 55.103 54.847 0.256 1
1 1011 . 7 1 1 A 86 86 ALA CB C 83 17.928 18.355 -0.427 1
1 1012 . 7 1 1 A 86 86 ALA N N 83 121.052 121.594 -0.542 1
1 1013 . 7 1 1 A 87 87 ALA H H 84 7.516 7.794 -0.278 1
1 1014 . 7 1 1 A 87 87 ALA HA H 84 4.006 4.080 -0.074 1
1 1018 . 7 1 1 A 87 87 ALA C C 84 180.272 179.427 0.845 1
1 1019 . 7 1 1 A 87 87 ALA CA C 84 54.765 55.043 -0.278 1
1 1020 . 7 1 1 A 87 87 ALA CB C 84 17.949 18.340 -0.391 1
1 1021 . 7 1 1 A 87 87 ALA N N 84 119.052 119.995 -0.943 1
1 1022 . 7 1 1 A 88 88 LEU H H 85 7.285 7.597 -0.312 1
1 1023 . 7 1 1 A 88 88 LEU HA H 85 4.042 4.189 -0.147 1
1 1033 . 7 1 1 A 88 88 LEU C C 85 174.921 178.762 -3.841 1
1 1034 . 7 1 1 A 88 88 LEU CA C 85 58.290 57.240 1.050 1
1 1035 . 7 1 1 A 88 88 LEU CB C 85 41.610 42.336 -0.726 1
1 1039 . 7 1 1 A 88 88 LEU N N 85 121.211 119.485 1.726 1
1 1040 . 7 1 1 A 89 89 LEU H H 86 8.472 8.222 0.250 1
1 1041 . 7 1 1 A 89 89 LEU HA H 86 3.486 3.835 -0.349 1
1 1051 . 7 1 1 A 89 89 LEU C C 86 178.855 179.309 -0.454 1
1 1052 . 7 1 1 A 89 89 LEU CA C 86 57.476 57.158 0.318 1
1 1053 . 7 1 1 A 89 89 LEU CB C 86 41.478 40.950 0.528 1
1 1057 . 7 1 1 A 89 89 LEU N N 86 118.740 118.337 0.403 1
1 1058 . 7 1 1 A 90 90 GLU H H 87 7.926 8.261 -0.335 1
1 1059 . 7 1 1 A 90 90 GLU HA H 87 3.726 3.870 -0.144 1
1 1064 . 7 1 1 A 90 90 GLU C C 87 178.738 179.220 -0.482 1
1 1065 . 7 1 1 A 90 90 GLU CA C 87 59.511 59.835 -0.324 1
1 1066 . 7 1 1 A 90 90 GLU CB C 87 28.855 29.030 -0.175 1
1 1068 . 7 1 1 A 90 90 GLU N N 87 119.669 120.522 -0.853 1
1 1069 . 7 1 1 A 91 91 ARG H H 88 7.069 7.860 -0.791 1
1 1070 . 7 1 1 A 91 91 ARG HA H 88 3.762 4.084 -0.322 1
1 1077 . 7 1 1 A 91 91 ARG C C 88 178.920 179.310 -0.390 1
1 1078 . 7 1 1 A 91 91 ARG CA C 88 59.544 59.467 0.077 1
1 1079 . 7 1 1 A 91 91 ARG CB C 88 29.723 30.497 -0.774 1
1 1082 . 7 1 1 A 91 91 ARG N N 88 119.088 119.336 -0.248 1
1 1083 . 7 1 1 A 92 92 GLU H H 89 8.170 8.442 -0.272 1
1 1084 . 7 1 1 A 92 92 GLU HA H 89 4.021 4.319 -0.298 1
1 1089 . 7 1 1 A 92 92 GLU C C 89 180.250 179.845 0.405 1
1 1090 . 7 1 1 A 92 92 GLU CA C 89 58.661 58.805 -0.144 1
1 1091 . 7 1 1 A 92 92 GLU CB C 89 28.073 29.085 -1.012 1
1 1093 . 7 1 1 A 92 92 GLU N N 89 117.768 119.765 -1.997 1
1 1094 . 7 1 1 A 93 93 ARG H H 90 8.355 7.776 0.579 1
1 1095 . 7 1 1 A 93 93 ARG HA H 90 4.003 4.131 -0.128 1
1 1102 . 7 1 1 A 93 93 ARG C C 90 177.592 178.501 -0.909 1
1 1103 . 7 1 1 A 93 93 ARG CA C 90 57.744 58.935 -1.191 1
1 1104 . 7 1 1 A 93 93 ARG CB C 90 30.325 29.869 0.456 1
1 1107 . 7 1 1 A 93 93 ARG N N 90 119.179 118.828 0.351 1
1 1108 . 7 1 1 A 94 94 ARG H H 91 7.232 7.626 -0.394 1
1 1109 . 7 1 1 A 94 94 ARG HA H 91 3.788 3.902 -0.114 1
1 1116 . 7 1 1 A 94 94 ARG C C 91 177.986 178.902 -0.916 1
1 1117 . 7 1 1 A 94 94 ARG CA C 91 58.462 58.773 -0.311 1
1 1118 . 7 1 1 A 94 94 ARG CB C 91 29.565 29.537 0.028 1
1 1121 . 7 1 1 A 94 94 ARG N N 91 118.441 119.928 -1.487 1
1 1122 . 7 1 1 A 95 95 PHE H H 92 7.048 7.574 -0.526 1
1 1123 . 7 1 1 A 95 95 PHE HA H 92 4.474 4.321 0.153 1
1 1128 . 7 1 1 A 95 95 PHE C C 92 175.728 176.236 -0.508 1
1 1129 . 7 1 1 A 95 95 PHE CA C 92 58.210 60.047 -1.837 1
1 1130 . 7 1 1 A 95 95 PHE CB C 92 39.724 39.337 0.387 1
1 1133 . 7 1 1 A 95 95 PHE N N 92 115.951 117.300 -1.349 1
1 1134 . 7 1 1 A 96 96 ASP H H 93 7.793 7.962 -0.169 1
1 1135 . 7 1 1 A 96 96 ASP HA H 93 4.703 4.799 -0.096 1
1 1138 . 7 1 1 A 96 96 ASP C C 93 179.474 175.833 3.641 1
1 1139 . 7 1 1 A 96 96 ASP CA C 93 53.103 53.946 -0.843 1
1 1140 . 7 1 1 A 96 96 ASP CB C 93 41.634 41.960 -0.326 1
1 1141 . 7 1 1 A 96 96 ASP N N 93 119.328 118.212 1.116 1
1 1142 . 7 1 1 A 97 97 SER H H 94 8.490 8.865 -0.375 1
1 1143 . 7 1 1 A 97 97 SER HA H 94 4.204 4.418 -0.214 1
1 1146 . 7 1 1 A 97 97 SER C C 94 175.549 174.844 0.705 1
1 1147 . 7 1 1 A 97 97 SER CA C 94 60.047 59.466 0.581 1
1 1148 . 7 1 1 A 97 97 SER CB C 94 63.408 62.996 0.412 1
1 1149 . 7 1 1 A 97 97 SER N N 94 118.740 120.995 -2.255 1
1 1150 . 7 1 1 A 98 98 ASP H H 95 8.229 7.874 0.355 1
1 1151 . 7 1 1 A 98 98 ASP HA H 95 4.684 4.715 -0.031 1
1 1154 . 7 1 1 A 98 98 ASP C C 95 175.547 175.685 -0.138 1
1 1155 . 7 1 1 A 98 98 ASP CA C 95 54.380 54.542 -0.162 1
1 1156 . 7 1 1 A 98 98 ASP CB C 95 42.267 41.049 1.218 1
1 1157 . 7 1 1 A 98 98 ASP N N 95 121.306 119.804 1.502 1
1 1158 . 7 1 1 A 99 99 LEU H H 96 6.613 7.393 -0.780 1
1 1159 . 7 1 1 A 99 99 LEU HA H 96 4.801 5.081 -0.280 1
1 1169 . 7 1 1 A 99 99 LEU C C 96 176.224 176.099 0.125 1
1 1170 . 7 1 1 A 99 99 LEU CA C 96 55.691 53.748 1.943 1
1 1171 . 7 1 1 A 99 99 LEU CB C 96 42.272 43.447 -1.175 1
1 1175 . 7 1 1 A 99 99 LEU N N 96 117.774 117.797 -0.023 1
1 1176 . 7 1 1 A 100 100 TRP H H 97 9.750 9.399 0.351 1
1 1177 . 7 1 1 A 100 100 TRP HA H 97 4.757 5.499 -0.742 1
1 1186 . 7 1 1 A 100 100 TRP C C 97 176.737 175.362 1.375 1
1 1187 . 7 1 1 A 100 100 TRP CA C 97 55.634 55.449 0.185 1
1 1188 . 7 1 1 A 100 100 TRP CB C 97 31.794 31.468 0.326 1
1 1194 . 7 1 1 A 100 100 TRP N N 97 120.649 120.859 -0.210 1
1 1196 . 7 1 1 A 101 101 VAL H H 98 9.096 8.865 0.231 1
1 1197 . 7 1 1 A 101 101 VAL HA H 98 5.018 5.342 -0.324 1
1 1205 . 7 1 1 A 101 101 VAL C C 98 175.816 175.190 0.626 1
1 1206 . 7 1 1 A 101 101 VAL CA C 98 61.998 62.053 -0.055 1
1 1207 . 7 1 1 A 101 101 VAL CB C 98 34.180 33.154 1.026 1
1 1210 . 7 1 1 A 101 101 VAL N N 98 117.960 123.790 -5.830 1
1 1211 . 7 1 1 A 102 102 VAL H H 99 9.113 9.015 0.098 1
1 1212 . 7 1 1 A 102 102 VAL HA H 99 4.546 4.793 -0.247 1
1 1220 . 7 1 1 A 102 102 VAL C C 99 173.388 174.855 -1.467 1
1 1221 . 7 1 1 A 102 102 VAL CA C 99 60.987 61.242 -0.255 1
1 1222 . 7 1 1 A 102 102 VAL CB C 99 34.654 33.447 1.207 1
1 1225 . 7 1 1 A 102 102 VAL N N 99 129.775 128.517 1.258 1
1 1226 . 7 1 1 A 103 103 GLU H H 100 9.226 8.722 0.504 1
1 1227 . 7 1 1 A 103 103 GLU HA H 100 5.376 4.669 0.707 1
1 1232 . 7 1 1 A 103 103 GLU C C 100 175.058 176.287 -1.229 1
1 1233 . 7 1 1 A 103 103 GLU CA C 100 54.158 56.011 -1.853 1
1 1234 . 7 1 1 A 103 103 GLU CB C 100 31.835 30.195 1.640 1
1 1236 . 7 1 1 A 103 103 GLU N N 100 128.249 127.439 0.810 1
1 1237 . 7 1 1 A 104 104 ILE H H 101 9.141 8.908 0.233 1
1 1238 . 7 1 1 A 104 104 ILE HA H 101 5.021 5.263 -0.242 1
1 1248 . 7 1 1 A 104 104 ILE C C 101 173.727 174.031 -0.304 1
1 1249 . 7 1 1 A 104 104 ILE CA C 101 59.226 59.182 0.044 1
1 1250 . 7 1 1 A 104 104 ILE CB C 101 42.192 40.215 1.977 1
1 1254 . 7 1 1 A 104 104 ILE N N 101 118.638 121.507 -2.869 1
1 1255 . 7 1 1 A 105 105 GLU H H 102 9.018 9.007 0.011 1
1 1256 . 7 1 1 A 105 105 GLU HA H 102 4.800 5.360 -0.560 1
1 1261 . 7 1 1 A 105 105 GLU C C 102 174.832 175.131 -0.299 1
1 1262 . 7 1 1 A 105 105 GLU CA C 102 55.362 54.940 0.422 1
1 1263 . 7 1 1 A 105 105 GLU CB C 102 31.160 32.834 -1.674 1
1 1265 . 7 1 1 A 105 105 GLU N N 102 125.842 123.360 2.482 1
1 1266 . 7 1 1 A 106 106 THR H H 103 7.678 8.342 -0.664 1
1 1267 . 7 1 1 A 106 106 THR HA H 103 4.424 4.833 -0.409 1
1 1272 . 7 1 1 A 106 106 THR C C 103 172.175 173.316 -1.141 1
1 1273 . 7 1 1 A 106 106 THR CA C 103 60.772 60.591 0.181 1
1 1274 . 7 1 1 A 106 106 THR CB C 103 67.599 69.631 -2.032 1
1 1276 . 7 1 1 A 106 106 THR N N 103 118.569 119.684 -1.115 1
1 1277 . 7 1 1 A 107 107 ASP H H 104 8.400 8.958 -0.558 1
1 1278 . 7 1 1 A 107 107 ASP HA H 104 4.635 4.674 -0.039 1
1 1281 . 7 1 1 A 107 107 ASP C C 104 176.214 175.968 0.246 1
1 1282 . 7 1 1 A 107 107 ASP CA C 104 55.771 55.490 0.281 1
1 1283 . 7 1 1 A 107 107 ASP CB C 104 41.463 42.365 -0.902 1
1 1284 . 7 1 1 A 107 107 ASP N N 104 125.388 124.904 0.484 1
1 1285 . 7 1 1 A 108 108 GLU H H 105 7.995 7.510 0.485 1
1 1286 . 7 1 1 A 108 108 GLU HA H 105 4.524 4.569 -0.045 1
1 1291 . 7 1 1 A 108 108 GLU C C 105 175.340 175.786 -0.446 1
1 1292 . 7 1 1 A 108 108 GLU CA C 105 54.564 55.389 -0.825 1
1 1293 . 7 1 1 A 108 108 GLU CB C 105 30.953 30.639 0.314 1
1 1295 . 7 1 1 A 108 108 GLU N N 105 120.222 114.837 5.385 1
1 1296 . 7 1 1 A 109 109 ILE H H 106 8.389 8.849 -0.460 1
1 1297 . 7 1 1 A 109 109 ILE HA H 106 3.853 3.979 -0.126 1
1 1307 . 7 1 1 A 109 109 ILE C C 106 176.324 177.750 -1.426 1
1 1308 . 7 1 1 A 109 109 ILE CA C 106 60.148 63.951 -3.803 1
1 1309 . 7 1 1 A 109 109 ILE CB C 106 38.950 38.606 0.344 1
1 1313 . 7 1 1 A 109 109 ILE N N 106 124.088 124.778 -0.690 1
1 1314 . 7 1 1 A 110 110 GLY H H 107 8.534 8.262 0.272 1
1 1315 . 7 1 1 A 110 110 GLY HA2 H 107 3.744 3.803 -0.059 1
1 1316 . 7 1 1 A 110 110 GLY HA3 H 107 3.705 3.834 -0.129 1
1 1317 . 7 1 1 A 110 110 GLY C C 107 175.021 175.226 -0.205 1
1 1318 . 7 1 1 A 110 110 GLY CA C 107 46.530 46.367 0.163 1
1 1319 . 7 1 1 A 110 110 GLY N N 107 109.224 109.086 0.138 1
1 1320 . 7 1 1 A 111 111 THR H H 108 7.892 7.797 0.095 1
1 1321 . 7 1 1 A 111 111 THR HA H 108 4.255 4.164 0.091 1
1 1326 . 7 1 1 A 111 111 THR C C 108 175.417 175.404 0.013 1
1 1327 . 7 1 1 A 111 111 THR CA C 108 61.287 64.751 -3.464 1
1 1328 . 7 1 1 A 111 111 THR CB C 108 68.657 69.117 -0.460 1
1 1330 . 7 1 1 A 111 111 THR N N 108 111.278 115.639 -4.361 1
1 1331 . 7 1 1 A 112 112 LEU H H 109 7.950 7.421 0.529 1
1 1332 . 7 1 1 A 112 112 LEU HA H 109 3.887 4.614 -0.727 1
1 1342 . 7 1 1 A 112 112 LEU C C 109 175.715 176.123 -0.408 1
1 1343 . 7 1 1 A 112 112 LEU CA C 109 56.661 54.237 2.424 1
1 1344 . 7 1 1 A 112 112 LEU CB C 109 43.310 43.812 -0.502 1
1 1348 . 7 1 1 A 112 112 LEU N N 109 122.017 114.140 7.877 1
1 1349 . 7 1 1 A 113 113 LEU H H 110 7.003 7.518 -0.515 1
1 1350 . 7 1 1 A 113 113 LEU HA H 110 4.327 4.609 -0.282 1
1 1360 . 7 1 1 A 113 113 LEU C C 110 175.563 173.883 1.680 1
1 1361 . 7 1 1 A 113 113 LEU CA C 110 52.377 54.431 -2.054 1
1 1362 . 7 1 1 A 113 113 LEU CB C 110 44.890 45.312 -0.422 1
1 1366 . 7 1 1 A 113 113 LEU N N 110 113.184 120.028 -6.844 1
1 1367 . 7 1 1 A 114 114 THR H H 111 9.101 8.670 0.431 1
1 1368 . 7 1 1 A 114 114 THR HA H 111 4.079 4.804 -0.725 1
1 1373 . 7 1 1 A 114 114 THR C C 111 173.117 174.171 -1.054 1
1 1374 . 7 1 1 A 114 114 THR CA C 111 62.838 61.993 0.845 1
1 1375 . 7 1 1 A 114 114 THR CB C 111 68.245 70.135 -1.890 1
1 1377 . 7 1 1 A 114 114 THR N N 111 119.602 123.094 -3.492 1
1 1378 . 7 1 1 A 115 115 LEU H H 112 8.461 8.702 -0.241 1
1 1379 . 7 1 1 A 115 115 LEU HA H 112 4.985 5.349 -0.364 1
1 1389 . 7 1 1 A 115 115 LEU C C 112 178.488 177.203 1.285 1
1 1390 . 7 1 1 A 115 115 LEU CA C 112 52.953 53.494 -0.541 1
1 1391 . 7 1 1 A 115 115 LEU CB C 112 43.316 45.113 -1.797 1
1 1395 . 7 1 1 A 115 115 LEU N N 112 129.372 126.837 2.535 1
1 1396 . 7 1 1 A 116 116 VAL H H 113 8.550 9.045 -0.495 1
1 1397 . 7 1 1 A 116 116 VAL HA H 113 4.141 3.975 0.166 1
1 1405 . 7 1 1 A 116 116 VAL C C 113 175.638 177.350 -1.712 1
1 1406 . 7 1 1 A 116 116 VAL CA C 113 61.559 64.876 -3.317 1
1 1407 . 7 1 1 A 116 116 VAL CB C 113 32.128 31.688 0.440 1
1 1410 . 7 1 1 A 116 116 VAL N N 113 117.300 122.331 -5.031 1
1 1411 . 7 1 1 A 117 117 ASP H H 114 8.095 7.926 0.169 1
1 1412 . 7 1 1 A 117 117 ASP HA H 114 4.561 4.625 -0.064 1
1 1415 . 7 1 1 A 117 117 ASP C C 114 175.610 176.357 -0.747 1
1 1416 . 7 1 1 A 117 117 ASP CA C 114 53.586 56.297 -2.711 1
1 1417 . 7 1 1 A 117 117 ASP CB C 114 41.131 41.943 -0.812 1
1 1418 . 7 1 1 A 117 117 ASP N N 114 121.410 120.687 0.723 1
1 1419 . 7 1 1 A 118 118 GLN H H 115 8.048 7.814 0.234 1
1 1420 . 7 1 1 A 118 118 GLN HA H 115 4.539 4.529 0.010 1
1 1427 . 7 1 1 A 118 118 GLN CA C 115 53.464 54.512 -1.048 1
1 1428 . 7 1 1 A 118 118 GLN CB C 115 29.143 27.532 1.611 1
1 1430 . 7 1 1 A 118 118 GLN N N 115 120.387 118.106 2.281 1
1 1432 . 7 1 1 A 119 119 PRO HA H 116 4.314 4.504 -0.190 1
1 1439 . 7 1 1 A 119 119 PRO C C 116 176.819 177.371 -0.552 1
1 1440 . 7 1 1 A 119 119 PRO CA C 116 63.073 63.377 -0.304 1
1 1441 . 7 1 1 A 119 119 PRO CB C 116 32.117 32.560 -0.443 1
1 1444 . 7 1 1 A 120 120 GLN H H 117 8.404 8.940 -0.536 1
1 1445 . 7 1 1 A 120 120 GLN HA H 117 4.172 4.019 0.153 1
1 1452 . 7 1 1 A 120 120 GLN C C 117 174.745 175.958 -1.213 1
1 1453 . 7 1 1 A 120 120 GLN CA C 117 55.531 59.523 -3.992 1
1 1454 . 7 1 1 A 120 120 GLN CB C 117 29.529 29.577 -0.048 1
1 1456 . 7 1 1 A 120 120 GLN N N 117 121.403 121.353 0.050 1
1 14 . 8 1 1 A 5 5 ARG H H 2 8.281 8.916 -0.635 1
1 15 . 8 1 1 A 5 5 ARG HA H 2 4.126 4.737 -0.611 1
1 22 . 8 1 1 A 5 5 ARG C C 2 176.387 175.482 0.905 1
1 23 . 8 1 1 A 5 5 ARG CA C 2 56.556 56.059 0.497 1
1 24 . 8 1 1 A 5 5 ARG CB C 2 30.698 30.564 0.134 1
1 27 . 8 1 1 A 5 5 ARG N N 2 123.269 125.450 -2.181 1
1 28 . 8 1 1 A 6 6 LEU H H 3 8.527 8.592 -0.065 1
1 29 . 8 1 1 A 6 6 LEU HA H 3 4.414 4.958 -0.544 1
1 39 . 8 1 1 A 6 6 LEU C C 3 178.040 175.799 2.241 1
1 40 . 8 1 1 A 6 6 LEU CA C 3 54.270 53.615 0.655 1
1 41 . 8 1 1 A 6 6 LEU CB C 3 43.612 44.896 -1.284 1
1 45 . 8 1 1 A 6 6 LEU N N 3 125.588 119.437 6.151 1
1 46 . 8 1 1 A 7 7 LYS H H 4 8.646 8.532 0.114 1
1 47 . 8 1 1 A 7 7 LYS HA H 4 4.524 4.467 0.057 1
1 56 . 8 1 1 A 7 7 LYS C C 4 178.029 177.537 0.492 1
1 57 . 8 1 1 A 7 7 LYS CA C 4 57.051 55.530 1.521 1
1 58 . 8 1 1 A 7 7 LYS CB C 4 32.877 33.059 -0.182 1
1 62 . 8 1 1 A 7 7 LYS N N 4 123.765 117.392 6.373 1
1 63 . 8 1 1 A 8 8 SER H H 5 8.316 8.542 -0.226 1
1 64 . 8 1 1 A 8 8 SER HA H 5 3.720 3.982 -0.262 1
1 67 . 8 1 1 A 8 8 SER C C 5 174.858 176.190 -1.332 1
1 68 . 8 1 1 A 8 8 SER CA C 5 63.553 62.009 1.544 1
1 69 . 8 1 1 A 8 8 SER CB C 5 62.382 62.587 -0.205 1
1 70 . 8 1 1 A 8 8 SER N N 5 122.163 114.591 7.572 1
1 71 . 8 1 1 A 9 9 GLU H H 6 8.913 8.058 0.855 1
1 72 . 8 1 1 A 9 9 GLU HA H 6 3.401 3.056 0.345 1
1 77 . 8 1 1 A 9 9 GLU C C 6 177.494 178.502 -1.008 1
1 78 . 8 1 1 A 9 9 GLU CA C 6 59.824 58.620 1.204 1
1 79 . 8 1 1 A 9 9 GLU CB C 6 29.780 28.956 0.824 1
1 81 . 8 1 1 A 9 9 GLU N N 6 118.372 121.867 -3.495 1
1 82 . 8 1 1 A 10 10 MET H H 7 6.642 7.960 -1.318 1
1 83 . 8 1 1 A 10 10 MET HA H 7 4.200 4.178 0.022 1
1 91 . 8 1 1 A 10 10 MET C C 7 178.173 178.271 -0.098 1
1 92 . 8 1 1 A 10 10 MET CA C 7 57.360 58.338 -0.978 1
1 93 . 8 1 1 A 10 10 MET CB C 7 32.761 32.304 0.457 1
1 96 . 8 1 1 A 10 10 MET N N 7 117.318 119.052 -1.734 1
1 97 . 8 1 1 A 11 11 PHE H H 8 8.432 7.687 0.745 1
1 98 . 8 1 1 A 11 11 PHE HA H 8 3.718 4.124 -0.406 1
1 105 . 8 1 1 A 11 11 PHE C C 8 177.603 177.027 0.576 1
1 106 . 8 1 1 A 11 11 PHE CA C 8 61.845 61.267 0.578 1
1 107 . 8 1 1 A 11 11 PHE CB C 8 38.595 39.023 -0.428 1
1 112 . 8 1 1 A 11 11 PHE N N 8 122.099 121.143 0.956 1
1 113 . 8 1 1 A 12 12 VAL H H 9 8.133 8.342 -0.209 1
1 114 . 8 1 1 A 12 12 VAL HA H 9 3.021 3.520 -0.499 1
1 122 . 8 1 1 A 12 12 VAL C C 9 176.668 177.870 -1.202 1
1 123 . 8 1 1 A 12 12 VAL CA C 9 67.353 66.496 0.857 1
1 124 . 8 1 1 A 12 12 VAL CB C 9 31.238 31.377 -0.139 1
1 127 . 8 1 1 A 12 12 VAL N N 9 119.317 119.306 0.011 1
1 128 . 8 1 1 A 13 13 SER H H 10 7.750 8.107 -0.357 1
1 129 . 8 1 1 A 13 13 SER HA H 10 3.905 3.969 -0.064 1
1 132 . 8 1 1 A 13 13 SER C C 10 176.947 177.036 -0.089 1
1 133 . 8 1 1 A 13 13 SER CA C 10 61.775 61.553 0.222 1
1 134 . 8 1 1 A 13 13 SER CB C 10 62.483 62.905 -0.422 1
1 135 . 8 1 1 A 13 13 SER N N 10 114.115 115.136 -1.021 1
1 136 . 8 1 1 A 14 14 ALA H H 11 7.776 7.776 0.000 1
1 137 . 8 1 1 A 14 14 ALA HA H 11 3.860 4.130 -0.270 1
1 141 . 8 1 1 A 14 14 ALA C C 11 179.154 179.393 -0.239 1
1 142 . 8 1 1 A 14 14 ALA CA C 11 54.811 54.849 -0.038 1
1 143 . 8 1 1 A 14 14 ALA CB C 11 17.641 18.023 -0.382 1
1 144 . 8 1 1 A 14 14 ALA N N 11 123.170 123.631 -0.461 1
1 145 . 8 1 1 A 15 15 LEU H H 12 7.732 7.793 -0.061 1
1 146 . 8 1 1 A 15 15 LEU HA H 12 3.636 3.846 -0.210 1
1 156 . 8 1 1 A 15 15 LEU C C 12 177.617 178.894 -1.277 1
1 157 . 8 1 1 A 15 15 LEU CA C 12 57.790 57.484 0.306 1
1 158 . 8 1 1 A 15 15 LEU CB C 12 41.352 41.307 0.045 1
1 162 . 8 1 1 A 15 15 LEU N N 12 121.171 119.378 1.793 1
1 163 . 8 1 1 A 16 16 ILE H H 13 8.037 8.026 0.011 1
1 164 . 8 1 1 A 16 16 ILE HA H 13 3.061 3.496 -0.435 1
1 174 . 8 1 1 A 16 16 ILE C C 13 177.708 177.748 -0.040 1
1 175 . 8 1 1 A 16 16 ILE CA C 13 65.872 65.611 0.261 1
1 176 . 8 1 1 A 16 16 ILE CB C 13 37.704 37.743 -0.039 1
1 180 . 8 1 1 A 16 16 ILE N N 13 117.849 119.705 -1.856 1
1 181 . 8 1 1 A 17 17 ARG H H 14 7.537 7.775 -0.238 1
1 182 . 8 1 1 A 17 17 ARG HA H 14 3.980 4.028 -0.048 1
1 189 . 8 1 1 A 17 17 ARG C C 14 179.876 178.830 1.046 1
1 190 . 8 1 1 A 17 17 ARG CA C 14 59.920 59.759 0.161 1
1 191 . 8 1 1 A 17 17 ARG CB C 14 29.995 29.712 0.283 1
1 194 . 8 1 1 A 17 17 ARG N N 14 117.366 119.972 -2.606 1
1 195 . 8 1 1 A 18 18 ARG H H 15 8.068 7.819 0.249 1
1 196 . 8 1 1 A 18 18 ARG HA H 15 3.868 4.014 -0.146 1
1 203 . 8 1 1 A 18 18 ARG C C 15 176.630 178.930 -2.300 1
1 204 . 8 1 1 A 18 18 ARG CA C 15 59.606 59.245 0.361 1
1 205 . 8 1 1 A 18 18 ARG CB C 15 30.327 29.942 0.385 1
1 208 . 8 1 1 A 18 18 ARG N N 15 119.713 119.459 0.254 1
1 209 . 8 1 1 A 19 19 VAL H H 16 8.259 7.449 0.810 1
1 210 . 8 1 1 A 19 19 VAL HA H 16 3.296 3.729 -0.433 1
1 218 . 8 1 1 A 19 19 VAL C C 16 177.306 177.994 -0.688 1
1 219 . 8 1 1 A 19 19 VAL CA C 16 66.667 65.288 1.379 1
1 220 . 8 1 1 A 19 19 VAL CB C 16 30.421 31.294 -0.873 1
1 223 . 8 1 1 A 19 19 VAL N N 16 121.385 116.427 4.958 1
1 224 . 8 1 1 A 20 20 PHE H H 17 8.014 7.662 0.352 1
1 225 . 8 1 1 A 20 20 PHE HA H 17 4.222 4.193 0.029 1
1 233 . 8 1 1 A 20 20 PHE C C 17 180.973 177.868 3.105 1
1 234 . 8 1 1 A 20 20 PHE CA C 17 61.988 61.517 0.471 1
1 235 . 8 1 1 A 20 20 PHE CB C 17 38.553 37.756 0.797 1
1 241 . 8 1 1 A 20 20 PHE N N 17 118.811 120.757 -1.946 1
1 242 . 8 1 1 A 21 21 ALA H H 18 8.192 8.072 0.120 1
1 243 . 8 1 1 A 21 21 ALA HA H 18 4.096 4.126 -0.030 1
1 247 . 8 1 1 A 21 21 ALA C C 18 178.425 179.972 -1.547 1
1 248 . 8 1 1 A 21 21 ALA CA C 18 54.716 54.666 0.050 1
1 249 . 8 1 1 A 21 21 ALA CB C 18 17.752 18.005 -0.253 1
1 250 . 8 1 1 A 21 21 ALA N N 18 122.995 122.061 0.934 1
1 251 . 8 1 1 A 22 22 ALA H H 19 7.256 7.189 0.067 1
1 252 . 8 1 1 A 22 22 ALA HA H 19 4.356 4.317 0.039 1
1 256 . 8 1 1 A 22 22 ALA C C 19 177.665 177.531 0.134 1
1 257 . 8 1 1 A 22 22 ALA CA C 19 51.629 52.275 -0.646 1
1 258 . 8 1 1 A 22 22 ALA CB C 19 18.554 19.507 -0.953 1
1 259 . 8 1 1 A 22 22 ALA N N 19 118.872 117.465 1.407 1
1 260 . 8 1 1 A 23 23 GLY H H 20 7.774 7.913 -0.139 1
1 261 . 8 1 1 A 23 23 GLY HA2 H 20 4.207 4.015 0.192 1
1 262 . 8 1 1 A 23 23 GLY HA3 H 20 3.762 4.046 -0.284 1
1 263 . 8 1 1 A 23 23 GLY C C 20 174.779 175.138 -0.359 1
1 264 . 8 1 1 A 23 23 GLY CA C 20 45.347 45.270 0.077 1
1 265 . 8 1 1 A 23 23 GLY N N 20 106.718 106.453 0.265 1
1 266 . 8 1 1 A 24 24 GLY H H 21 7.795 7.752 0.043 1
1 267 . 8 1 1 A 24 24 GLY HA2 H 21 4.538 3.962 0.576 1
1 268 . 8 1 1 A 24 24 GLY HA3 H 21 3.306 4.006 -0.700 1
1 269 . 8 1 1 A 24 24 GLY C C 21 171.187 172.063 -0.876 1
1 270 . 8 1 1 A 24 24 GLY CA C 21 43.665 44.349 -0.684 1
1 271 . 8 1 1 A 24 24 GLY N N 21 108.369 107.885 0.484 1
1 272 . 8 1 1 A 25 25 PHE H H 22 7.340 8.550 -1.210 1
1 273 . 8 1 1 A 25 25 PHE HA H 22 3.784 4.407 -0.623 1
1 280 . 8 1 1 A 25 25 PHE C C 22 172.423 173.549 -1.126 1
1 281 . 8 1 1 A 25 25 PHE CA C 22 56.434 55.868 0.566 1
1 282 . 8 1 1 A 25 25 PHE CB C 22 42.819 42.662 0.157 1
1 287 . 8 1 1 A 25 25 PHE N N 22 117.754 120.660 -2.906 1
1 288 . 8 1 1 A 26 26 ALA H H 23 5.579 7.622 -2.043 1
1 289 . 8 1 1 A 26 26 ALA HA H 23 4.943 5.326 -0.383 1
1 293 . 8 1 1 A 26 26 ALA C C 23 173.842 175.223 -1.381 1
1 294 . 8 1 1 A 26 26 ALA CA C 23 50.257 51.088 -0.831 1
1 295 . 8 1 1 A 26 26 ALA CB C 23 25.150 23.823 1.327 1
1 296 . 8 1 1 A 26 26 ALA N N 23 126.477 127.605 -1.128 1
1 297 . 8 1 1 A 27 27 ALA H H 24 8.723 8.172 0.551 1
1 298 . 8 1 1 A 27 27 ALA HA H 24 4.330 4.806 -0.476 1
1 302 . 8 1 1 A 27 27 ALA C C 24 175.543 176.270 -0.727 1
1 303 . 8 1 1 A 27 27 ALA CA C 24 51.545 51.691 -0.146 1
1 304 . 8 1 1 A 27 27 ALA CB C 24 22.974 22.955 0.019 1
1 305 . 8 1 1 A 27 27 ALA N N 24 118.178 119.631 -1.453 1
1 306 . 8 1 1 A 28 28 VAL H H 25 8.841 8.970 -0.129 1
1 307 . 8 1 1 A 28 28 VAL HA H 25 3.972 4.117 -0.145 1
1 315 . 8 1 1 A 28 28 VAL C C 25 175.547 175.346 0.201 1
1 316 . 8 1 1 A 28 28 VAL CA C 25 64.153 63.288 0.865 1
1 317 . 8 1 1 A 28 28 VAL CB C 25 31.951 31.085 0.866 1
1 320 . 8 1 1 A 28 28 VAL N N 25 120.857 122.656 -1.799 1
1 321 . 8 1 1 A 29 29 GLU H H 26 8.595 8.940 -0.345 1
1 322 . 8 1 1 A 29 29 GLU HA H 26 4.275 4.379 -0.104 1
1 327 . 8 1 1 A 29 29 GLU C C 26 176.177 176.291 -0.114 1
1 328 . 8 1 1 A 29 29 GLU CA C 26 57.686 58.512 -0.826 1
1 329 . 8 1 1 A 29 29 GLU CB C 26 30.521 30.523 -0.002 1
1 331 . 8 1 1 A 29 29 GLU N N 26 132.091 127.980 4.111 1
1 332 . 8 1 1 A 30 30 LYS H H 27 8.163 7.549 0.614 1
1 333 . 8 1 1 A 30 30 LYS HA H 27 4.352 4.805 -0.453 1
1 342 . 8 1 1 A 30 30 LYS C C 27 174.232 174.841 -0.609 1
1 343 . 8 1 1 A 30 30 LYS CA C 27 55.370 55.184 0.186 1
1 344 . 8 1 1 A 30 30 LYS CB C 27 36.138 34.856 1.282 1
1 348 . 8 1 1 A 30 30 LYS N N 27 119.899 119.212 0.687 1
1 349 . 8 1 1 A 31 31 LYS H H 28 8.603 8.564 0.039 1
1 350 . 8 1 1 A 31 31 LYS HA H 28 3.268 4.209 -0.941 1
1 359 . 8 1 1 A 31 31 LYS C C 28 175.170 174.762 0.408 1
1 360 . 8 1 1 A 31 31 LYS CA C 28 56.089 54.136 1.953 1
1 361 . 8 1 1 A 31 31 LYS CB C 28 32.386 35.759 -3.373 1
1 365 . 8 1 1 A 31 31 LYS N N 28 129.067 126.018 3.049 1
1 366 . 8 1 1 A 32 32 GLY H H 29 3.335 6.959 -3.624 1
1 367 . 8 1 1 A 32 32 GLY HA2 H 29 3.652 3.946 -0.294 1
1 368 . 8 1 1 A 32 32 GLY HA3 H 29 2.313 4.003 -1.690 1
1 369 . 8 1 1 A 32 32 GLY C C 29 172.863 173.175 -0.312 1
1 370 . 8 1 1 A 32 32 GLY CA C 29 43.344 44.475 -1.131 1
1 371 . 8 1 1 A 32 32 GLY N N 29 113.639 112.116 1.523 1
1 372 . 8 1 1 A 33 33 ALA H H 30 8.202 8.222 -0.020 1
1 373 . 8 1 1 A 33 33 ALA HA H 30 4.173 4.460 -0.287 1
1 377 . 8 1 1 A 33 33 ALA C C 30 181.026 178.579 2.447 1
1 378 . 8 1 1 A 33 33 ALA CA C 30 52.674 52.121 0.553 1
1 379 . 8 1 1 A 33 33 ALA CB C 30 19.020 19.184 -0.164 1
1 380 . 8 1 1 A 33 33 ALA N N 30 121.182 125.424 -4.242 1
1 381 . 8 1 1 A 34 34 GLU H H 31 9.313 9.181 0.132 1
1 382 . 8 1 1 A 34 34 GLU HA H 31 4.130 4.224 -0.094 1
1 387 . 8 1 1 A 34 34 GLU C C 31 177.137 178.246 -1.109 1
1 388 . 8 1 1 A 34 34 GLU CA C 31 61.214 59.251 1.963 1
1 389 . 8 1 1 A 34 34 GLU CB C 31 29.947 29.530 0.417 1
1 391 . 8 1 1 A 34 34 GLU N N 31 126.206 125.222 0.984 1
1 392 . 8 1 1 A 35 35 ALA H H 32 8.614 8.008 0.606 1
1 393 . 8 1 1 A 35 35 ALA HA H 32 4.377 4.350 0.027 1
1 397 . 8 1 1 A 35 35 ALA C C 32 180.260 179.350 0.910 1
1 398 . 8 1 1 A 35 35 ALA CA C 32 55.118 54.250 0.868 1
1 399 . 8 1 1 A 35 35 ALA CB C 32 18.192 19.675 -1.483 1
1 400 . 8 1 1 A 35 35 ALA N N 32 119.251 121.938 -2.687 1
1 401 . 8 1 1 A 36 36 ALA H H 33 8.467 7.545 0.922 1
1 402 . 8 1 1 A 36 36 ALA HA H 33 4.612 4.323 0.289 1
1 406 . 8 1 1 A 36 36 ALA C C 33 177.468 177.980 -0.512 1
1 407 . 8 1 1 A 36 36 ALA CA C 33 51.190 52.453 -1.263 1
1 408 . 8 1 1 A 36 36 ALA CB C 33 19.451 19.471 -0.020 1
1 409 . 8 1 1 A 36 36 ALA N N 33 120.927 118.985 1.942 1
1 410 . 8 1 1 A 37 37 GLY H H 34 7.445 7.891 -0.446 1
1 411 . 8 1 1 A 37 37 GLY HA2 H 34 4.143 4.171 -0.028 1
1 412 . 8 1 1 A 37 37 GLY HA3 H 34 4.010 4.273 -0.263 1
1 413 . 8 1 1 A 37 37 GLY C C 34 174.885 173.348 1.537 1
1 414 . 8 1 1 A 37 37 GLY CA C 34 46.790 45.203 1.587 1
1 415 . 8 1 1 A 37 37 GLY N N 34 105.715 106.875 -1.160 1
1 416 . 8 1 1 A 38 38 ALA H H 35 9.722 8.375 1.347 1
1 417 . 8 1 1 A 38 38 ALA HA H 35 4.053 4.784 -0.731 1
1 421 . 8 1 1 A 38 38 ALA CA C 35 52.676 51.300 1.376 1
1 422 . 8 1 1 A 38 38 ALA CB C 35 20.069 20.622 -0.553 1
1 423 . 8 1 1 A 38 38 ALA N N 35 131.782 121.242 10.540 1
1 424 . 8 1 1 A 39 39 ILE H H 36 7.776 8.457 -0.681 1
1 425 . 8 1 1 A 39 39 ILE HA H 36 4.533 5.105 -0.572 1
1 435 . 8 1 1 A 39 39 ILE C C 36 172.754 174.550 -1.796 1
1 436 . 8 1 1 A 39 39 ILE CA C 36 61.429 60.594 0.835 1
1 437 . 8 1 1 A 39 39 ILE CB C 36 40.275 40.774 -0.499 1
1 441 . 8 1 1 A 39 39 ILE N N 36 119.692 120.541 -0.849 1
1 442 . 8 1 1 A 40 40 PHE H H 37 8.513 9.532 -1.019 1
1 443 . 8 1 1 A 40 40 PHE HA H 37 5.242 5.648 -0.406 1
1 448 . 8 1 1 A 40 40 PHE C C 37 175.559 174.512 1.047 1
1 449 . 8 1 1 A 40 40 PHE CA C 37 56.375 56.395 -0.020 1
1 450 . 8 1 1 A 40 40 PHE CB C 37 41.794 40.709 1.085 1
1 453 . 8 1 1 A 40 40 PHE N N 37 123.003 125.860 -2.857 1
1 454 . 8 1 1 A 41 41 VAL H H 38 8.898 8.971 -0.073 1
1 455 . 8 1 1 A 41 41 VAL HA H 38 4.981 4.897 0.084 1
1 463 . 8 1 1 A 41 41 VAL C C 38 174.233 175.880 -1.647 1
1 464 . 8 1 1 A 41 41 VAL CA C 38 60.287 61.257 -0.970 1
1 465 . 8 1 1 A 41 41 VAL CB C 38 35.122 33.704 1.418 1
1 468 . 8 1 1 A 41 41 VAL N N 38 120.239 123.374 -3.135 1
1 469 . 8 1 1 A 42 42 ARG H H 39 9.399 9.125 0.274 1
1 470 . 8 1 1 A 42 42 ARG HA H 39 5.094 5.278 -0.184 1
1 478 . 8 1 1 A 42 42 ARG C C 39 173.198 174.511 -1.313 1
1 479 . 8 1 1 A 42 42 ARG CA C 39 54.067 55.085 -1.018 1
1 480 . 8 1 1 A 42 42 ARG CB C 39 33.430 32.982 0.448 1
1 483 . 8 1 1 A 42 42 ARG N N 39 129.107 124.710 4.397 1
1 485 . 8 1 1 A 43 43 GLN H H 40 9.402 8.773 0.629 1
1 486 . 8 1 1 A 43 43 GLN HA H 40 5.371 5.446 -0.075 1
1 493 . 8 1 1 A 43 43 GLN C C 40 174.278 173.408 0.870 1
1 494 . 8 1 1 A 43 43 GLN CA C 40 52.778 54.065 -1.287 1
1 495 . 8 1 1 A 43 43 GLN CB C 40 31.703 32.672 -0.969 1
1 497 . 8 1 1 A 43 43 GLN N N 40 127.936 121.329 6.607 1
1 499 . 8 1 1 A 44 44 ARG H H 41 8.875 8.557 0.318 1
1 500 . 8 1 1 A 44 44 ARG HA H 41 4.488 5.111 -0.623 1
1 507 . 8 1 1 A 44 44 ARG C C 41 175.417 174.491 0.926 1
1 508 . 8 1 1 A 44 44 ARG CA C 41 56.319 54.607 1.712 1
1 509 . 8 1 1 A 44 44 ARG CB C 41 31.231 33.222 -1.991 1
1 512 . 8 1 1 A 44 44 ARG N N 41 127.617 126.238 1.379 1
1 513 . 8 1 1 A 45 45 LEU H H 42 8.494 8.877 -0.383 1
1 514 . 8 1 1 A 45 45 LEU HA H 42 4.480 4.754 -0.274 1
1 524 . 8 1 1 A 45 45 LEU C C 42 179.893 178.121 1.772 1
1 525 . 8 1 1 A 45 45 LEU CA C 42 53.972 53.447 0.525 1
1 526 . 8 1 1 A 45 45 LEU CB C 42 42.206 43.284 -1.078 1
1 530 . 8 1 1 A 45 45 LEU N N 42 125.380 127.443 -2.063 1
1 531 . 8 1 1 A 46 46 ARG H H 43 9.223 8.616 0.607 1
1 532 . 8 1 1 A 46 46 ARG HA H 43 3.929 4.078 -0.149 1
1 539 . 8 1 1 A 46 46 ARG C C 43 177.114 177.499 -0.385 1
1 540 . 8 1 1 A 46 46 ARG CA C 43 58.773 58.783 -0.010 1
1 541 . 8 1 1 A 46 46 ARG CB C 43 29.688 29.702 -0.014 1
1 544 . 8 1 1 A 46 46 ARG N N 43 121.380 122.364 -0.984 1
1 545 . 8 1 1 A 47 47 ASP H H 44 7.727 7.994 -0.267 1
1 546 . 8 1 1 A 47 47 ASP HA H 44 4.373 4.570 -0.197 1
1 549 . 8 1 1 A 47 47 ASP C C 44 177.125 176.733 0.392 1
1 550 . 8 1 1 A 47 47 ASP CA C 44 53.256 54.146 -0.890 1
1 551 . 8 1 1 A 47 47 ASP CB C 44 39.993 40.987 -0.994 1
1 552 . 8 1 1 A 47 47 ASP N N 44 115.801 117.782 -1.981 1
1 553 . 8 1 1 A 48 48 GLY H H 45 7.878 8.263 -0.385 1
1 554 . 8 1 1 A 48 48 GLY HA2 H 45 4.237 3.825 0.412 1
1 555 . 8 1 1 A 48 48 GLY HA3 H 45 3.531 3.826 -0.295 1
1 556 . 8 1 1 A 48 48 GLY C C 45 175.041 173.740 1.301 1
1 557 . 8 1 1 A 48 48 GLY CA C 45 45.289 45.781 -0.492 1
1 558 . 8 1 1 A 48 48 GLY N N 45 108.005 109.449 -1.444 1
1 559 . 8 1 1 A 49 49 ARG H H 46 7.696 7.915 -0.219 1
1 560 . 8 1 1 A 49 49 ARG HA H 46 4.309 4.784 -0.475 1
1 567 . 8 1 1 A 49 49 ARG C C 46 174.199 175.336 -1.137 1
1 568 . 8 1 1 A 49 49 ARG CA C 46 55.909 54.277 1.632 1
1 569 . 8 1 1 A 49 49 ARG CB C 46 31.226 32.540 -1.314 1
1 572 . 8 1 1 A 49 49 ARG N N 46 120.601 119.576 1.025 1
1 573 . 8 1 1 A 50 50 GLU H H 47 8.885 8.484 0.401 1
1 574 . 8 1 1 A 50 50 GLU HA H 47 5.381 5.408 -0.027 1
1 579 . 8 1 1 A 50 50 GLU C C 47 175.590 175.085 0.505 1
1 580 . 8 1 1 A 50 50 GLU CA C 47 55.057 54.589 0.468 1
1 581 . 8 1 1 A 50 50 GLU CB C 47 35.650 34.370 1.280 1
1 583 . 8 1 1 A 50 50 GLU N N 47 116.439 119.165 -2.726 1
1 584 . 8 1 1 A 51 51 ASN H H 48 8.683 8.712 -0.029 1
1 585 . 8 1 1 A 51 51 ASN HA H 48 5.153 5.334 -0.181 1
1 590 . 8 1 1 A 51 51 ASN C C 48 173.562 173.783 -0.221 1
1 591 . 8 1 1 A 51 51 ASN CA C 48 50.361 51.913 -1.552 1
1 592 . 8 1 1 A 51 51 ASN CB C 48 41.823 41.963 -0.140 1
1 593 . 8 1 1 A 51 51 ASN N N 48 114.752 120.361 -5.609 1
1 595 . 8 1 1 A 52 52 LEU H H 49 8.847 8.541 0.306 1
1 596 . 8 1 1 A 52 52 LEU HA H 49 5.274 5.055 0.219 1
1 606 . 8 1 1 A 52 52 LEU C C 49 174.213 173.602 0.611 1
1 607 . 8 1 1 A 52 52 LEU CA C 49 52.889 53.939 -1.050 1
1 608 . 8 1 1 A 52 52 LEU CB C 49 46.300 46.057 0.243 1
1 612 . 8 1 1 A 52 52 LEU N N 49 120.365 121.891 -1.526 1
1 613 . 8 1 1 A 53 53 TYR H H 50 9.641 8.986 0.655 1
1 614 . 8 1 1 A 53 53 TYR HA H 50 5.519 5.698 -0.179 1
1 621 . 8 1 1 A 53 53 TYR C C 50 175.473 175.414 0.059 1
1 622 . 8 1 1 A 53 53 TYR CA C 50 55.928 55.693 0.235 1
1 623 . 8 1 1 A 53 53 TYR CB C 50 40.076 43.138 -3.062 1
1 628 . 8 1 1 A 53 53 TYR N N 50 127.507 124.524 2.983 1
1 629 . 8 1 1 A 54 54 GLY H H 51 8.893 8.693 0.200 1
1 630 . 8 1 1 A 54 54 GLY HA2 H 51 4.687 3.618 1.069 1
1 631 . 8 1 1 A 54 54 GLY HA3 H 51 3.127 3.969 -0.842 1
1 632 . 8 1 1 A 54 54 GLY CA C 51 44.040 44.472 -0.432 1
1 633 . 8 1 1 A 54 54 GLY N N 51 108.518 109.253 -0.735 1
1 634 . 8 1 1 A 55 55 PRO HA H 52 3.849 3.835 0.014 1
1 641 . 8 1 1 A 55 55 PRO C C 52 176.695 176.565 0.130 1
1 642 . 8 1 1 A 55 55 PRO CA C 52 63.187 61.924 1.263 1
1 643 . 8 1 1 A 55 55 PRO CB C 52 32.096 31.186 0.910 1
1 646 . 8 1 1 A 56 56 ALA H H 53 7.675 7.703 -0.028 1
1 647 . 8 1 1 A 56 56 ALA HA H 53 4.242 4.501 -0.259 1
1 651 . 8 1 1 A 56 56 ALA CA C 53 49.506 50.374 -0.868 1
1 652 . 8 1 1 A 56 56 ALA CB C 53 18.096 17.438 0.658 1
1 653 . 8 1 1 A 56 56 ALA N N 53 126.695 125.149 1.546 1
1 654 . 8 1 1 A 57 57 PRO HA H 54 4.186 4.894 -0.708 1
1 661 . 8 1 1 A 57 57 PRO C C 54 179.368 176.494 2.874 1
1 662 . 8 1 1 A 57 57 PRO CA C 54 63.116 62.206 0.910 1
1 663 . 8 1 1 A 57 57 PRO CB C 54 31.747 29.622 2.125 1
1 666 . 8 1 1 A 58 58 GLN H H 55 8.278 8.077 0.201 1
1 667 . 8 1 1 A 58 58 GLN HA H 55 4.083 4.377 -0.294 1
1 674 . 8 1 1 A 58 58 GLN C C 55 175.368 175.483 -0.115 1
1 675 . 8 1 1 A 58 58 GLN CA C 55 55.635 55.574 0.061 1
1 676 . 8 1 1 A 58 58 GLN CB C 55 29.927 29.274 0.653 1
1 678 . 8 1 1 A 58 58 GLN N N 55 121.313 119.579 1.734 1
1 680 . 8 1 1 A 59 59 SER H H 56 8.182 8.688 -0.506 1
1 681 . 8 1 1 A 59 59 SER HA H 56 4.246 4.456 -0.210 1
1 684 . 8 1 1 A 59 59 SER C C 56 174.075 173.700 0.375 1
1 685 . 8 1 1 A 59 59 SER CA C 56 57.667 57.648 0.019 1
1 686 . 8 1 1 A 59 59 SER CB C 56 63.751 61.325 2.426 1
1 687 . 8 1 1 A 59 59 SER N N 56 117.615 119.487 -1.872 1
1 688 . 8 1 1 A 60 60 PHE H H 57 8.100 7.848 0.252 1
1 689 . 8 1 1 A 60 60 PHE HA H 57 4.493 4.580 -0.087 1
1 696 . 8 1 1 A 60 60 PHE C C 57 175.439 174.782 0.657 1
1 697 . 8 1 1 A 60 60 PHE CA C 57 57.622 56.611 1.011 1
1 698 . 8 1 1 A 60 60 PHE CB C 57 39.519 39.898 -0.379 1
1 703 . 8 1 1 A 60 60 PHE N N 57 121.890 119.954 1.936 1
1 704 . 8 1 1 A 61 61 ALA H H 58 8.234 8.693 -0.459 1
1 705 . 8 1 1 A 61 61 ALA HA H 58 4.165 4.841 -0.676 1
1 709 . 8 1 1 A 61 61 ALA C C 58 179.286 177.073 2.213 1
1 710 . 8 1 1 A 61 61 ALA CA C 58 52.471 50.599 1.872 1
1 711 . 8 1 1 A 61 61 ALA CB C 58 19.444 21.534 -2.090 1
1 712 . 8 1 1 A 61 61 ALA N N 58 124.383 122.764 1.619 1
1 713 . 8 1 1 A 62 62 ASP H H 59 8.017 9.478 -1.461 1
1 714 . 8 1 1 A 62 62 ASP HA H 59 4.412 4.366 0.046 1
1 717 . 8 1 1 A 62 62 ASP C C 59 176.073 175.000 1.073 1
1 718 . 8 1 1 A 62 62 ASP CA C 59 54.360 55.148 -0.788 1
1 719 . 8 1 1 A 62 62 ASP CB C 59 41.213 39.936 1.277 1
1 720 . 8 1 1 A 62 62 ASP N N 59 118.579 124.213 -5.634 1
1 721 . 8 1 1 A 63 63 ASP H H 60 8.096 8.640 -0.544 1
1 722 . 8 1 1 A 63 63 ASP HA H 60 4.346 4.390 -0.044 1
1 725 . 8 1 1 A 63 63 ASP C C 60 176.619 176.623 -0.004 1
1 726 . 8 1 1 A 63 63 ASP CA C 60 54.714 55.530 -0.816 1
1 727 . 8 1 1 A 63 63 ASP CB C 60 40.801 40.614 0.187 1
1 728 . 8 1 1 A 63 63 ASP N N 60 119.530 117.367 2.163 1
1 729 . 8 1 1 A 64 64 GLU H H 61 8.109 8.002 0.107 1
1 730 . 8 1 1 A 64 64 GLU HA H 61 4.012 4.072 -0.060 1
1 735 . 8 1 1 A 64 64 GLU C C 61 176.652 178.859 -2.207 1
1 736 . 8 1 1 A 64 64 GLU CA C 61 57.301 59.206 -1.905 1
1 737 . 8 1 1 A 64 64 GLU CB C 61 30.107 29.525 0.582 1
1 739 . 8 1 1 A 64 64 GLU N N 61 120.050 119.116 0.934 1
1 740 . 8 1 1 A 65 65 ASP H H 62 8.062 8.405 -0.343 1
1 741 . 8 1 1 A 65 65 ASP HA H 62 4.369 4.323 0.046 1
1 744 . 8 1 1 A 65 65 ASP C C 62 177.458 178.694 -1.236 1
1 745 . 8 1 1 A 65 65 ASP CA C 62 54.645 56.495 -1.850 1
1 746 . 8 1 1 A 65 65 ASP CB C 62 40.896 40.574 0.322 1
1 747 . 8 1 1 A 65 65 ASP N N 62 120.211 120.085 0.126 1
1 748 . 8 1 1 A 66 66 ILE H H 63 7.805 7.458 0.347 1
1 749 . 8 1 1 A 66 66 ILE HA H 63 3.708 3.632 0.076 1
1 759 . 8 1 1 A 66 66 ILE C C 63 176.802 177.326 -0.524 1
1 760 . 8 1 1 A 66 66 ILE CA C 63 62.754 64.533 -1.779 1
1 761 . 8 1 1 A 66 66 ILE CB C 63 38.230 37.798 0.432 1
1 765 . 8 1 1 A 66 66 ILE N N 63 121.259 120.224 1.035 1
1 766 . 8 1 1 A 67 67 MET H H 64 7.950 7.688 0.262 1
1 767 . 8 1 1 A 67 67 MET HA H 64 4.229 4.710 -0.481 1
1 775 . 8 1 1 A 67 67 MET C C 64 176.724 177.386 -0.662 1
1 776 . 8 1 1 A 67 67 MET CA C 64 55.944 55.027 0.917 1
1 777 . 8 1 1 A 67 67 MET CB C 64 31.826 34.580 -2.754 1
1 780 . 8 1 1 A 67 67 MET N N 64 118.533 116.714 1.819 1
1 781 . 8 1 1 A 68 68 ARG H H 65 7.604 8.134 -0.530 1
1 782 . 8 1 1 A 68 68 ARG HA H 65 4.197 4.281 -0.084 1
1 789 . 8 1 1 A 68 68 ARG C C 65 175.530 175.872 -0.342 1
1 790 . 8 1 1 A 68 68 ARG CA C 65 56.028 56.845 -0.817 1
1 791 . 8 1 1 A 68 68 ARG CB C 65 30.760 30.350 0.410 1
1 794 . 8 1 1 A 68 68 ARG N N 65 118.706 117.948 0.758 1
1 795 . 8 1 1 A 69 69 ALA H H 66 7.634 7.532 0.102 1
1 796 . 8 1 1 A 69 69 ALA HA H 66 4.254 4.750 -0.496 1
1 800 . 8 1 1 A 69 69 ALA C C 66 176.846 175.450 1.396 1
1 801 . 8 1 1 A 69 69 ALA CA C 66 51.905 50.607 1.298 1
1 802 . 8 1 1 A 69 69 ALA CB C 66 20.023 22.672 -2.649 1
1 803 . 8 1 1 A 69 69 ALA N N 66 123.528 119.858 3.670 1
1 804 . 8 1 1 A 70 70 GLU H H 67 8.192 8.480 -0.288 1
1 805 . 8 1 1 A 70 70 GLU HA H 67 4.228 4.307 -0.079 1
1 810 . 8 1 1 A 70 70 GLU C C 67 176.333 175.859 0.474 1
1 811 . 8 1 1 A 70 70 GLU CA C 67 55.928 56.099 -0.171 1
1 812 . 8 1 1 A 70 70 GLU CB C 67 30.769 29.699 1.070 1
1 814 . 8 1 1 A 70 70 GLU N N 67 120.599 121.956 -1.357 1
1 815 . 8 1 1 A 71 71 ARG H H 68 8.674 8.082 0.592 1
1 816 . 8 1 1 A 71 71 ARG HA H 68 3.696 4.115 -0.419 1
1 823 . 8 1 1 A 71 71 ARG C C 68 175.422 175.425 -0.003 1
1 824 . 8 1 1 A 71 71 ARG CA C 68 56.964 56.327 0.637 1
1 825 . 8 1 1 A 71 71 ARG CB C 68 30.886 30.399 0.487 1
1 828 . 8 1 1 A 71 71 ARG N N 68 123.533 125.887 -2.354 1
1 829 . 8 1 1 A 72 72 ARG H H 69 7.660 8.753 -1.093 1
1 830 . 8 1 1 A 72 72 ARG HA H 69 4.642 4.623 0.019 1
1 837 . 8 1 1 A 72 72 ARG C C 69 175.051 175.856 -0.805 1
1 838 . 8 1 1 A 72 72 ARG CA C 69 54.297 55.905 -1.608 1
1 839 . 8 1 1 A 72 72 ARG CB C 69 33.555 31.336 2.219 1
1 842 . 8 1 1 A 72 72 ARG N N 69 120.057 125.301 -5.244 1
1 843 . 8 1 1 A 73 73 PHE H H 70 8.714 8.805 -0.091 1
1 844 . 8 1 1 A 73 73 PHE HA H 70 5.020 4.971 0.049 1
1 852 . 8 1 1 A 73 73 PHE C C 70 173.159 174.745 -1.586 1
1 853 . 8 1 1 A 73 73 PHE CA C 70 57.359 57.269 0.090 1
1 854 . 8 1 1 A 73 73 PHE CB C 70 43.426 42.276 1.150 1
1 860 . 8 1 1 A 73 73 PHE N N 70 119.519 122.895 -3.376 1
1 861 . 8 1 1 A 74 74 GLU H H 71 9.404 9.124 0.280 1
1 862 . 8 1 1 A 74 74 GLU HA H 71 4.996 5.169 -0.173 1
1 867 . 8 1 1 A 74 74 GLU C C 71 175.559 174.995 0.564 1
1 868 . 8 1 1 A 74 74 GLU CA C 71 52.975 54.519 -1.544 1
1 869 . 8 1 1 A 74 74 GLU CB C 71 33.399 33.635 -0.236 1
1 871 . 8 1 1 A 74 74 GLU N N 71 117.679 118.381 -0.702 1
1 872 . 8 1 1 A 75 75 THR H H 72 9.801 8.973 0.828 1
1 873 . 8 1 1 A 75 75 THR HA H 72 4.108 4.921 -0.813 1
1 878 . 8 1 1 A 75 75 THR C C 72 175.065 174.033 1.032 1
1 879 . 8 1 1 A 75 75 THR CA C 72 64.296 62.262 2.034 1
1 880 . 8 1 1 A 75 75 THR CB C 72 67.635 68.868 -1.233 1
1 882 . 8 1 1 A 75 75 THR N N 72 122.320 117.763 4.557 1
1 883 . 8 1 1 A 76 76 ARG H H 73 9.150 8.916 0.234 1
1 884 . 8 1 1 A 76 76 ARG HA H 73 4.283 4.211 0.072 1
1 892 . 8 1 1 A 76 76 ARG C C 73 176.574 176.716 -0.142 1
1 893 . 8 1 1 A 76 76 ARG CA C 73 55.858 58.486 -2.628 1
1 894 . 8 1 1 A 76 76 ARG CB C 73 30.930 30.969 -0.039 1
1 897 . 8 1 1 A 76 76 ARG N N 73 127.709 128.207 -0.498 1
1 899 . 8 1 1 A 77 77 LEU H H 74 7.520 7.364 0.156 1
1 900 . 8 1 1 A 77 77 LEU HA H 74 4.480 4.931 -0.451 1
1 910 . 8 1 1 A 77 77 LEU C C 74 174.509 175.147 -0.638 1
1 911 . 8 1 1 A 77 77 LEU CA C 74 54.222 53.240 0.982 1
1 912 . 8 1 1 A 77 77 LEU CB C 74 47.315 45.870 1.445 1
1 916 . 8 1 1 A 77 77 LEU N N 74 117.021 118.210 -1.189 1
1 917 . 8 1 1 A 78 78 ALA H H 75 8.600 8.450 0.150 1
1 918 . 8 1 1 A 78 78 ALA HA H 75 4.999 4.656 0.343 1
1 922 . 8 1 1 A 78 78 ALA C C 75 176.343 176.944 -0.601 1
1 923 . 8 1 1 A 78 78 ALA CA C 75 50.324 51.588 -1.264 1
1 924 . 8 1 1 A 78 78 ALA CB C 75 21.074 22.416 -1.342 1
1 925 . 8 1 1 A 78 78 ALA N N 75 124.663 123.051 1.612 1
1 926 . 8 1 1 A 79 79 GLY H H 76 8.730 8.780 -0.050 1
1 927 . 8 1 1 A 79 79 GLY HA2 H 76 3.706 3.832 -0.126 1
1 928 . 8 1 1 A 79 79 GLY HA3 H 76 3.306 3.832 -0.526 1
1 929 . 8 1 1 A 79 79 GLY C C 76 175.173 173.825 1.348 1
1 930 . 8 1 1 A 79 79 GLY CA C 76 47.520 46.451 1.069 1
1 931 . 8 1 1 A 79 79 GLY N N 76 114.411 110.707 3.704 1
1 932 . 8 1 1 A 80 80 VAL H H 77 8.380 7.546 0.834 1
1 933 . 8 1 1 A 80 80 VAL HA H 77 4.643 4.699 -0.056 1
1 941 . 8 1 1 A 80 80 VAL C C 77 175.208 174.902 0.306 1
1 942 . 8 1 1 A 80 80 VAL CA C 77 59.289 59.740 -0.451 1
1 943 . 8 1 1 A 80 80 VAL CB C 77 34.226 34.534 -0.308 1
1 946 . 8 1 1 A 80 80 VAL N N 77 112.611 116.527 -3.916 1
1 947 . 8 1 1 A 81 81 GLU H H 78 8.415 8.298 0.117 1
1 948 . 8 1 1 A 81 81 GLU HA H 78 4.451 4.641 -0.190 1
1 953 . 8 1 1 A 81 81 GLU C C 78 178.955 178.015 0.940 1
1 954 . 8 1 1 A 81 81 GLU CA C 78 55.631 54.474 1.157 1
1 955 . 8 1 1 A 81 81 GLU CB C 78 30.535 31.207 -0.672 1
1 957 . 8 1 1 A 81 81 GLU N N 78 117.186 119.559 -2.373 1
1 958 . 8 1 1 A 82 82 GLY H H 79 8.834 8.568 0.266 1
1 959 . 8 1 1 A 82 82 GLY HA2 H 79 3.810 3.847 -0.037 1
1 960 . 8 1 1 A 82 82 GLY HA3 H 79 3.518 3.849 -0.331 1
1 961 . 8 1 1 A 82 82 GLY C C 79 176.446 175.778 0.668 1
1 962 . 8 1 1 A 82 82 GLY CA C 79 47.629 47.063 0.566 1
1 963 . 8 1 1 A 82 82 GLY N N 79 109.312 107.952 1.360 1
1 964 . 8 1 1 A 83 83 GLU H H 80 8.747 8.157 0.590 1
1 965 . 8 1 1 A 83 83 GLU HA H 80 3.972 4.059 -0.087 1
1 970 . 8 1 1 A 83 83 GLU C C 80 179.046 179.386 -0.340 1
1 971 . 8 1 1 A 83 83 GLU CA C 80 59.403 59.149 0.254 1
1 972 . 8 1 1 A 83 83 GLU CB C 80 29.005 29.511 -0.506 1
1 974 . 8 1 1 A 83 83 GLU N N 80 119.416 121.342 -1.926 1
1 975 . 8 1 1 A 84 84 GLU H H 81 7.588 7.659 -0.071 1
1 976 . 8 1 1 A 84 84 GLU HA H 81 4.003 4.084 -0.081 1
1 981 . 8 1 1 A 84 84 GLU C C 81 179.682 179.482 0.200 1
1 982 . 8 1 1 A 84 84 GLU CA C 81 59.213 59.295 -0.082 1
1 983 . 8 1 1 A 84 84 GLU CB C 81 29.473 29.636 -0.163 1
1 985 . 8 1 1 A 84 84 GLU N N 81 120.110 119.729 0.381 1
1 986 . 8 1 1 A 85 85 ILE H H 82 6.936 7.838 -0.902 1
1 987 . 8 1 1 A 85 85 ILE HA H 82 3.356 3.557 -0.201 1
1 997 . 8 1 1 A 85 85 ILE C C 82 177.308 177.883 -0.575 1
1 998 . 8 1 1 A 85 85 ILE CA C 82 64.055 65.886 -1.831 1
1 999 . 8 1 1 A 85 85 ILE CB C 82 36.836 38.067 -1.231 1
1 1003 . 8 1 1 A 85 85 ILE N N 82 120.268 121.642 -1.374 1
1 1004 . 8 1 1 A 86 86 ALA H H 83 8.292 8.408 -0.116 1
1 1005 . 8 1 1 A 86 86 ALA HA H 83 3.787 3.989 -0.202 1
1 1009 . 8 1 1 A 86 86 ALA C C 83 180.345 179.721 0.624 1
1 1010 . 8 1 1 A 86 86 ALA CA C 83 55.103 55.268 -0.165 1
1 1011 . 8 1 1 A 86 86 ALA CB C 83 17.928 18.216 -0.288 1
1 1012 . 8 1 1 A 86 86 ALA N N 83 121.052 121.510 -0.458 1
1 1013 . 8 1 1 A 87 87 ALA H H 84 7.516 7.768 -0.252 1
1 1014 . 8 1 1 A 87 87 ALA HA H 84 4.006 4.088 -0.082 1
1 1018 . 8 1 1 A 87 87 ALA C C 84 180.272 179.360 0.912 1
1 1019 . 8 1 1 A 87 87 ALA CA C 84 54.765 55.015 -0.250 1
1 1020 . 8 1 1 A 87 87 ALA CB C 84 17.949 18.263 -0.314 1
1 1021 . 8 1 1 A 87 87 ALA N N 84 119.052 120.435 -1.383 1
1 1022 . 8 1 1 A 88 88 LEU H H 85 7.285 7.641 -0.356 1
1 1023 . 8 1 1 A 88 88 LEU HA H 85 4.042 4.145 -0.103 1
1 1033 . 8 1 1 A 88 88 LEU C C 85 174.921 178.814 -3.893 1
1 1034 . 8 1 1 A 88 88 LEU CA C 85 58.290 57.135 1.155 1
1 1035 . 8 1 1 A 88 88 LEU CB C 85 41.610 42.274 -0.664 1
1 1039 . 8 1 1 A 88 88 LEU N N 85 121.211 119.157 2.054 1
1 1040 . 8 1 1 A 89 89 LEU H H 86 8.472 8.296 0.176 1
1 1041 . 8 1 1 A 89 89 LEU HA H 86 3.486 3.791 -0.305 1
1 1051 . 8 1 1 A 89 89 LEU C C 86 178.855 179.538 -0.683 1
1 1052 . 8 1 1 A 89 89 LEU CA C 86 57.476 57.219 0.257 1
1 1053 . 8 1 1 A 89 89 LEU CB C 86 41.478 41.047 0.431 1
1 1057 . 8 1 1 A 89 89 LEU N N 86 118.740 118.502 0.238 1
1 1058 . 8 1 1 A 90 90 GLU H H 87 7.926 8.126 -0.200 1
1 1059 . 8 1 1 A 90 90 GLU HA H 87 3.726 3.951 -0.225 1
1 1064 . 8 1 1 A 90 90 GLU C C 87 178.738 179.165 -0.427 1
1 1065 . 8 1 1 A 90 90 GLU CA C 87 59.511 58.917 0.594 1
1 1066 . 8 1 1 A 90 90 GLU CB C 87 28.855 29.470 -0.615 1
1 1068 . 8 1 1 A 90 90 GLU N N 87 119.669 120.639 -0.970 1
1 1069 . 8 1 1 A 91 91 ARG H H 88 7.069 7.522 -0.453 1
1 1070 . 8 1 1 A 91 91 ARG HA H 88 3.762 4.201 -0.439 1
1 1077 . 8 1 1 A 91 91 ARG C C 88 178.920 179.023 -0.103 1
1 1078 . 8 1 1 A 91 91 ARG CA C 88 59.544 59.597 -0.053 1
1 1079 . 8 1 1 A 91 91 ARG CB C 88 29.723 29.926 -0.203 1
1 1082 . 8 1 1 A 91 91 ARG N N 88 119.088 119.660 -0.572 1
1 1083 . 8 1 1 A 92 92 GLU H H 89 8.170 8.167 0.003 1
1 1084 . 8 1 1 A 92 92 GLU HA H 89 4.021 4.188 -0.167 1
1 1089 . 8 1 1 A 92 92 GLU C C 89 180.250 179.676 0.574 1
1 1090 . 8 1 1 A 92 92 GLU CA C 89 58.661 58.824 -0.163 1
1 1091 . 8 1 1 A 92 92 GLU CB C 89 28.073 28.880 -0.807 1
1 1093 . 8 1 1 A 92 92 GLU N N 89 117.768 119.175 -1.407 1
1 1094 . 8 1 1 A 93 93 ARG H H 90 8.355 7.853 0.502 1
1 1095 . 8 1 1 A 93 93 ARG HA H 90 4.003 4.360 -0.357 1
1 1102 . 8 1 1 A 93 93 ARG C C 90 177.592 178.557 -0.965 1
1 1103 . 8 1 1 A 93 93 ARG CA C 90 57.744 58.847 -1.103 1
1 1104 . 8 1 1 A 93 93 ARG CB C 90 30.325 29.853 0.472 1
1 1107 . 8 1 1 A 93 93 ARG N N 90 119.179 118.855 0.324 1
1 1108 . 8 1 1 A 94 94 ARG H H 91 7.232 7.447 -0.215 1
1 1109 . 8 1 1 A 94 94 ARG HA H 91 3.788 3.936 -0.148 1
1 1116 . 8 1 1 A 94 94 ARG C C 91 177.986 178.280 -0.294 1
1 1117 . 8 1 1 A 94 94 ARG CA C 91 58.462 58.770 -0.308 1
1 1118 . 8 1 1 A 94 94 ARG CB C 91 29.565 29.474 0.091 1
1 1121 . 8 1 1 A 94 94 ARG N N 91 118.441 120.066 -1.625 1
1 1122 . 8 1 1 A 95 95 PHE H H 92 7.048 7.843 -0.795 1
1 1123 . 8 1 1 A 95 95 PHE HA H 92 4.474 4.495 -0.021 1
1 1128 . 8 1 1 A 95 95 PHE C C 92 175.728 175.633 0.095 1
1 1129 . 8 1 1 A 95 95 PHE CA C 92 58.210 59.079 -0.869 1
1 1130 . 8 1 1 A 95 95 PHE CB C 92 39.724 40.691 -0.967 1
1 1133 . 8 1 1 A 95 95 PHE N N 92 115.951 116.391 -0.440 1
1 1134 . 8 1 1 A 96 96 ASP H H 93 7.793 8.203 -0.410 1
1 1135 . 8 1 1 A 96 96 ASP HA H 93 4.703 5.011 -0.308 1
1 1138 . 8 1 1 A 96 96 ASP C C 93 179.474 176.164 3.310 1
1 1139 . 8 1 1 A 96 96 ASP CA C 93 53.103 53.004 0.099 1
1 1140 . 8 1 1 A 96 96 ASP CB C 93 41.634 41.646 -0.012 1
1 1141 . 8 1 1 A 96 96 ASP N N 93 119.328 118.917 0.411 1
1 1142 . 8 1 1 A 97 97 SER H H 94 8.490 8.785 -0.295 1
1 1143 . 8 1 1 A 97 97 SER HA H 94 4.204 4.233 -0.029 1
1 1146 . 8 1 1 A 97 97 SER C C 94 175.549 174.791 0.758 1
1 1147 . 8 1 1 A 97 97 SER CA C 94 60.047 60.772 -0.725 1
1 1148 . 8 1 1 A 97 97 SER CB C 94 63.408 62.768 0.640 1
1 1149 . 8 1 1 A 97 97 SER N N 94 118.740 119.928 -1.188 1
1 1150 . 8 1 1 A 98 98 ASP H H 95 8.229 7.864 0.365 1
1 1151 . 8 1 1 A 98 98 ASP HA H 95 4.684 4.724 -0.040 1
1 1154 . 8 1 1 A 98 98 ASP C C 95 175.547 175.808 -0.261 1
1 1155 . 8 1 1 A 98 98 ASP CA C 95 54.380 54.332 0.048 1
1 1156 . 8 1 1 A 98 98 ASP CB C 95 42.267 41.039 1.228 1
1 1157 . 8 1 1 A 98 98 ASP N N 95 121.306 119.406 1.900 1
1 1158 . 8 1 1 A 99 99 LEU H H 96 6.613 7.132 -0.519 1
1 1159 . 8 1 1 A 99 99 LEU HA H 96 4.801 5.142 -0.341 1
1 1169 . 8 1 1 A 99 99 LEU C C 96 176.224 176.232 -0.008 1
1 1170 . 8 1 1 A 99 99 LEU CA C 96 55.691 53.886 1.805 1
1 1171 . 8 1 1 A 99 99 LEU CB C 96 42.272 43.689 -1.417 1
1 1175 . 8 1 1 A 99 99 LEU N N 96 117.774 118.194 -0.420 1
1 1176 . 8 1 1 A 100 100 TRP H H 97 9.750 9.267 0.483 1
1 1177 . 8 1 1 A 100 100 TRP HA H 97 4.757 5.427 -0.670 1
1 1186 . 8 1 1 A 100 100 TRP C C 97 176.737 175.169 1.568 1
1 1187 . 8 1 1 A 100 100 TRP CA C 97 55.634 55.292 0.342 1
1 1188 . 8 1 1 A 100 100 TRP CB C 97 31.794 32.626 -0.832 1
1 1194 . 8 1 1 A 100 100 TRP N N 97 120.649 120.313 0.336 1
1 1196 . 8 1 1 A 101 101 VAL H H 98 9.096 8.779 0.317 1
1 1197 . 8 1 1 A 101 101 VAL HA H 98 5.018 5.222 -0.204 1
1 1205 . 8 1 1 A 101 101 VAL C C 98 175.816 175.450 0.366 1
1 1206 . 8 1 1 A 101 101 VAL CA C 98 61.998 61.806 0.192 1
1 1207 . 8 1 1 A 101 101 VAL CB C 98 34.180 33.046 1.134 1
1 1210 . 8 1 1 A 101 101 VAL N N 98 117.960 123.783 -5.823 1
1 1211 . 8 1 1 A 102 102 VAL H H 99 9.113 9.212 -0.099 1
1 1212 . 8 1 1 A 102 102 VAL HA H 99 4.546 4.829 -0.283 1
1 1220 . 8 1 1 A 102 102 VAL C C 99 173.388 175.062 -1.674 1
1 1221 . 8 1 1 A 102 102 VAL CA C 99 60.987 61.227 -0.240 1
1 1222 . 8 1 1 A 102 102 VAL CB C 99 34.654 34.804 -0.150 1
1 1225 . 8 1 1 A 102 102 VAL N N 99 129.775 128.511 1.264 1
1 1226 . 8 1 1 A 103 103 GLU H H 100 9.226 8.757 0.469 1
1 1227 . 8 1 1 A 103 103 GLU HA H 100 5.376 4.777 0.599 1
1 1232 . 8 1 1 A 103 103 GLU C C 100 175.058 176.085 -1.027 1
1 1233 . 8 1 1 A 103 103 GLU CA C 100 54.158 56.096 -1.938 1
1 1234 . 8 1 1 A 103 103 GLU CB C 100 31.835 30.372 1.463 1
1 1236 . 8 1 1 A 103 103 GLU N N 100 128.249 127.412 0.837 1
1 1237 . 8 1 1 A 104 104 ILE H H 101 9.141 9.036 0.105 1
1 1238 . 8 1 1 A 104 104 ILE HA H 101 5.021 5.123 -0.102 1
1 1248 . 8 1 1 A 104 104 ILE C C 101 173.727 174.103 -0.376 1
1 1249 . 8 1 1 A 104 104 ILE CA C 101 59.226 59.242 -0.016 1
1 1250 . 8 1 1 A 104 104 ILE CB C 101 42.192 41.056 1.136 1
1 1254 . 8 1 1 A 104 104 ILE N N 101 118.638 120.825 -2.187 1
1 1255 . 8 1 1 A 105 105 GLU H H 102 9.018 8.897 0.121 1
1 1256 . 8 1 1 A 105 105 GLU HA H 102 4.800 4.936 -0.136 1
1 1261 . 8 1 1 A 105 105 GLU C C 102 174.832 175.487 -0.655 1
1 1262 . 8 1 1 A 105 105 GLU CA C 102 55.362 55.446 -0.084 1
1 1263 . 8 1 1 A 105 105 GLU CB C 102 31.160 30.464 0.696 1
1 1265 . 8 1 1 A 105 105 GLU N N 102 125.842 125.161 0.681 1
1 1266 . 8 1 1 A 106 106 THR H H 103 7.678 8.568 -0.890 1
1 1267 . 8 1 1 A 106 106 THR HA H 103 4.424 4.851 -0.427 1
1 1272 . 8 1 1 A 106 106 THR C C 103 172.175 172.689 -0.514 1
1 1273 . 8 1 1 A 106 106 THR CA C 103 60.772 60.353 0.419 1
1 1274 . 8 1 1 A 106 106 THR CB C 103 67.599 69.497 -1.898 1
1 1276 . 8 1 1 A 106 106 THR N N 103 118.569 117.405 1.164 1
1 1277 . 8 1 1 A 107 107 ASP H H 104 8.400 8.712 -0.312 1
1 1278 . 8 1 1 A 107 107 ASP HA H 104 4.635 4.887 -0.252 1
1 1281 . 8 1 1 A 107 107 ASP C C 104 176.214 175.540 0.674 1
1 1282 . 8 1 1 A 107 107 ASP CA C 104 55.771 54.448 1.323 1
1 1283 . 8 1 1 A 107 107 ASP CB C 104 41.463 41.416 0.047 1
1 1284 . 8 1 1 A 107 107 ASP N N 104 125.388 123.578 1.810 1
1 1285 . 8 1 1 A 108 108 GLU H H 105 7.995 7.305 0.690 1
1 1286 . 8 1 1 A 108 108 GLU HA H 105 4.524 4.663 -0.139 1
1 1291 . 8 1 1 A 108 108 GLU C C 105 175.340 175.798 -0.458 1
1 1292 . 8 1 1 A 108 108 GLU CA C 105 54.564 55.075 -0.511 1
1 1293 . 8 1 1 A 108 108 GLU CB C 105 30.953 32.694 -1.741 1
1 1295 . 8 1 1 A 108 108 GLU N N 105 120.222 114.519 5.703 1
1 1296 . 8 1 1 A 109 109 ILE H H 106 8.389 8.438 -0.049 1
1 1297 . 8 1 1 A 109 109 ILE HA H 106 3.853 4.143 -0.290 1
1 1307 . 8 1 1 A 109 109 ILE C C 106 176.324 177.888 -1.564 1
1 1308 . 8 1 1 A 109 109 ILE CA C 106 60.148 63.370 -3.222 1
1 1309 . 8 1 1 A 109 109 ILE CB C 106 38.950 39.132 -0.182 1
1 1313 . 8 1 1 A 109 109 ILE N N 106 124.088 123.067 1.021 1
1 1314 . 8 1 1 A 110 110 GLY H H 107 8.534 8.537 -0.003 1
1 1315 . 8 1 1 A 110 110 GLY HA2 H 107 3.744 3.746 -0.002 1
1 1316 . 8 1 1 A 110 110 GLY HA3 H 107 3.705 3.774 -0.069 1
1 1317 . 8 1 1 A 110 110 GLY C C 107 175.021 175.672 -0.651 1
1 1318 . 8 1 1 A 110 110 GLY CA C 107 46.530 47.226 -0.696 1
1 1319 . 8 1 1 A 110 110 GLY N N 107 109.224 109.253 -0.029 1
1 1320 . 8 1 1 A 111 111 THR H H 108 7.892 7.891 0.001 1
1 1321 . 8 1 1 A 111 111 THR HA H 108 4.255 4.100 0.155 1
1 1326 . 8 1 1 A 111 111 THR C C 108 175.417 175.138 0.279 1
1 1327 . 8 1 1 A 111 111 THR CA C 108 61.287 64.464 -3.177 1
1 1328 . 8 1 1 A 111 111 THR CB C 108 68.657 68.769 -0.112 1
1 1330 . 8 1 1 A 111 111 THR N N 108 111.278 116.793 -5.515 1
1 1331 . 8 1 1 A 112 112 LEU H H 109 7.950 7.505 0.445 1
1 1332 . 8 1 1 A 112 112 LEU HA H 109 3.887 4.569 -0.682 1
1 1342 . 8 1 1 A 112 112 LEU C C 109 175.715 176.100 -0.385 1
1 1343 . 8 1 1 A 112 112 LEU CA C 109 56.661 53.895 2.766 1
1 1344 . 8 1 1 A 112 112 LEU CB C 109 43.310 43.492 -0.182 1
1 1348 . 8 1 1 A 112 112 LEU N N 109 122.017 114.294 7.723 1
1 1349 . 8 1 1 A 113 113 LEU H H 110 7.003 7.243 -0.240 1
1 1350 . 8 1 1 A 113 113 LEU HA H 110 4.327 4.546 -0.219 1
1 1360 . 8 1 1 A 113 113 LEU C C 110 175.563 174.073 1.490 1
1 1361 . 8 1 1 A 113 113 LEU CA C 110 52.377 54.398 -2.021 1
1 1362 . 8 1 1 A 113 113 LEU CB C 110 44.890 45.132 -0.242 1
1 1366 . 8 1 1 A 113 113 LEU N N 110 113.184 119.919 -6.735 1
1 1367 . 8 1 1 A 114 114 THR H H 111 9.101 8.761 0.340 1
1 1368 . 8 1 1 A 114 114 THR HA H 111 4.079 4.849 -0.770 1
1 1373 . 8 1 1 A 114 114 THR C C 111 173.117 174.054 -0.937 1
1 1374 . 8 1 1 A 114 114 THR CA C 111 62.838 61.949 0.889 1
1 1375 . 8 1 1 A 114 114 THR CB C 111 68.245 70.132 -1.887 1
1 1377 . 8 1 1 A 114 114 THR N N 111 119.602 123.334 -3.732 1
1 1378 . 8 1 1 A 115 115 LEU H H 112 8.461 8.697 -0.236 1
1 1379 . 8 1 1 A 115 115 LEU HA H 112 4.985 5.405 -0.420 1
1 1389 . 8 1 1 A 115 115 LEU C C 112 178.488 177.301 1.187 1
1 1390 . 8 1 1 A 115 115 LEU CA C 112 52.953 53.510 -0.557 1
1 1391 . 8 1 1 A 115 115 LEU CB C 112 43.316 45.198 -1.882 1
1 1395 . 8 1 1 A 115 115 LEU N N 112 129.372 126.023 3.349 1
1 1396 . 8 1 1 A 116 116 VAL H H 113 8.550 8.941 -0.391 1
1 1397 . 8 1 1 A 116 116 VAL HA H 113 4.141 3.942 0.199 1
1 1405 . 8 1 1 A 116 116 VAL C C 113 175.638 177.298 -1.660 1
1 1406 . 8 1 1 A 116 116 VAL CA C 113 61.559 64.890 -3.331 1
1 1407 . 8 1 1 A 116 116 VAL CB C 113 32.128 31.739 0.389 1
1 1410 . 8 1 1 A 116 116 VAL N N 113 117.300 121.812 -4.512 1
1 1411 . 8 1 1 A 117 117 ASP H H 114 8.095 8.327 -0.232 1
1 1412 . 8 1 1 A 117 117 ASP HA H 114 4.561 4.763 -0.202 1
1 1415 . 8 1 1 A 117 117 ASP C C 114 175.610 176.344 -0.734 1
1 1416 . 8 1 1 A 117 117 ASP CA C 114 53.586 56.344 -2.758 1
1 1417 . 8 1 1 A 117 117 ASP CB C 114 41.131 41.444 -0.313 1
1 1418 . 8 1 1 A 117 117 ASP N N 114 121.410 119.904 1.506 1
1 1419 . 8 1 1 A 118 118 GLN H H 115 8.048 7.764 0.284 1
1 1420 . 8 1 1 A 118 118 GLN HA H 115 4.539 4.560 -0.021 1
1 1427 . 8 1 1 A 118 118 GLN CA C 115 53.464 54.220 -0.756 1
1 1428 . 8 1 1 A 118 118 GLN CB C 115 29.143 27.871 1.272 1
1 1430 . 8 1 1 A 118 118 GLN N N 115 120.387 119.576 0.811 1
1 1432 . 8 1 1 A 119 119 PRO HA H 116 4.314 4.568 -0.254 1
1 1439 . 8 1 1 A 119 119 PRO C C 116 176.819 176.931 -0.112 1
1 1440 . 8 1 1 A 119 119 PRO CA C 116 63.073 62.796 0.277 1
1 1441 . 8 1 1 A 119 119 PRO CB C 116 32.117 32.647 -0.530 1
1 1444 . 8 1 1 A 120 120 GLN H H 117 8.404 8.800 -0.396 1
1 1445 . 8 1 1 A 120 120 GLN HA H 117 4.172 4.193 -0.021 1
1 1452 . 8 1 1 A 120 120 GLN C C 117 174.745 176.355 -1.610 1
1 1453 . 8 1 1 A 120 120 GLN CA C 117 55.531 57.380 -1.849 1
1 1454 . 8 1 1 A 120 120 GLN CB C 117 29.529 28.671 0.858 1
1 1456 . 8 1 1 A 120 120 GLN N N 117 121.403 121.074 0.329 1
1 14 . 9 1 1 A 5 5 ARG H H 2 8.281 8.608 -0.327 1
1 15 . 9 1 1 A 5 5 ARG HA H 2 4.126 4.522 -0.396 1
1 22 . 9 1 1 A 5 5 ARG C C 2 176.387 175.499 0.888 1
1 23 . 9 1 1 A 5 5 ARG CA C 2 56.556 55.817 0.739 1
1 24 . 9 1 1 A 5 5 ARG CB C 2 30.698 29.639 1.059 1
1 27 . 9 1 1 A 5 5 ARG N N 2 123.269 123.608 -0.339 1
1 28 . 9 1 1 A 6 6 LEU H H 3 8.527 8.335 0.192 1
1 29 . 9 1 1 A 6 6 LEU HA H 3 4.414 5.160 -0.746 1
1 39 . 9 1 1 A 6 6 LEU C C 3 178.040 175.880 2.160 1
1 40 . 9 1 1 A 6 6 LEU CA C 3 54.270 52.710 1.560 1
1 41 . 9 1 1 A 6 6 LEU CB C 3 43.612 45.354 -1.742 1
1 45 . 9 1 1 A 6 6 LEU N N 3 125.588 119.316 6.272 1
1 46 . 9 1 1 A 7 7 LYS H H 4 8.646 8.637 0.009 1
1 47 . 9 1 1 A 7 7 LYS HA H 4 4.524 4.383 0.141 1
1 56 . 9 1 1 A 7 7 LYS C C 4 178.029 178.370 -0.341 1
1 57 . 9 1 1 A 7 7 LYS CA C 4 57.051 55.857 1.194 1
1 58 . 9 1 1 A 7 7 LYS CB C 4 32.877 33.414 -0.537 1
1 62 . 9 1 1 A 7 7 LYS N N 4 123.765 119.950 3.815 1
1 63 . 9 1 1 A 8 8 SER H H 5 8.316 8.510 -0.194 1
1 64 . 9 1 1 A 8 8 SER HA H 5 3.720 3.939 -0.219 1
1 67 . 9 1 1 A 8 8 SER C C 5 174.858 176.089 -1.231 1
1 68 . 9 1 1 A 8 8 SER CA C 5 63.553 61.698 1.855 1
1 69 . 9 1 1 A 8 8 SER CB C 5 62.382 62.839 -0.457 1
1 70 . 9 1 1 A 8 8 SER N N 5 122.163 116.653 5.510 1
1 71 . 9 1 1 A 9 9 GLU H H 6 8.913 8.159 0.754 1
1 72 . 9 1 1 A 9 9 GLU HA H 6 3.401 3.222 0.179 1
1 77 . 9 1 1 A 9 9 GLU C C 6 177.494 178.469 -0.975 1
1 78 . 9 1 1 A 9 9 GLU CA C 6 59.824 58.873 0.951 1
1 79 . 9 1 1 A 9 9 GLU CB C 6 29.780 29.351 0.429 1
1 81 . 9 1 1 A 9 9 GLU N N 6 118.372 121.436 -3.064 1
1 82 . 9 1 1 A 10 10 MET H H 7 6.642 8.089 -1.447 1
1 83 . 9 1 1 A 10 10 MET HA H 7 4.200 4.112 0.088 1
1 91 . 9 1 1 A 10 10 MET C C 7 178.173 178.176 -0.003 1
1 92 . 9 1 1 A 10 10 MET CA C 7 57.360 58.535 -1.175 1
1 93 . 9 1 1 A 10 10 MET CB C 7 32.761 32.181 0.580 1
1 96 . 9 1 1 A 10 10 MET N N 7 117.318 118.822 -1.504 1
1 97 . 9 1 1 A 11 11 PHE H H 8 8.432 7.892 0.540 1
1 98 . 9 1 1 A 11 11 PHE HA H 8 3.718 4.085 -0.367 1
1 105 . 9 1 1 A 11 11 PHE C C 8 177.603 176.581 1.022 1
1 106 . 9 1 1 A 11 11 PHE CA C 8 61.845 61.469 0.376 1
1 107 . 9 1 1 A 11 11 PHE CB C 8 38.595 39.105 -0.510 1
1 112 . 9 1 1 A 11 11 PHE N N 8 122.099 121.170 0.929 1
1 113 . 9 1 1 A 12 12 VAL H H 9 8.133 7.884 0.249 1
1 114 . 9 1 1 A 12 12 VAL HA H 9 3.021 3.466 -0.445 1
1 122 . 9 1 1 A 12 12 VAL C C 9 176.668 177.700 -1.032 1
1 123 . 9 1 1 A 12 12 VAL CA C 9 67.353 66.322 1.031 1
1 124 . 9 1 1 A 12 12 VAL CB C 9 31.238 31.192 0.046 1
1 127 . 9 1 1 A 12 12 VAL N N 9 119.317 118.907 0.410 1
1 128 . 9 1 1 A 13 13 SER H H 10 7.750 8.072 -0.322 1
1 129 . 9 1 1 A 13 13 SER HA H 10 3.905 3.992 -0.087 1
1 132 . 9 1 1 A 13 13 SER C C 10 176.947 176.826 0.121 1
1 133 . 9 1 1 A 13 13 SER CA C 10 61.775 61.515 0.260 1
1 134 . 9 1 1 A 13 13 SER CB C 10 62.483 62.964 -0.481 1
1 135 . 9 1 1 A 13 13 SER N N 10 114.115 115.424 -1.309 1
1 136 . 9 1 1 A 14 14 ALA H H 11 7.776 7.454 0.322 1
1 137 . 9 1 1 A 14 14 ALA HA H 11 3.860 3.993 -0.133 1
1 141 . 9 1 1 A 14 14 ALA C C 11 179.154 179.715 -0.561 1
1 142 . 9 1 1 A 14 14 ALA CA C 11 54.811 54.662 0.149 1
1 143 . 9 1 1 A 14 14 ALA CB C 11 17.641 18.425 -0.784 1
1 144 . 9 1 1 A 14 14 ALA N N 11 123.170 123.720 -0.550 1
1 145 . 9 1 1 A 15 15 LEU H H 12 7.732 7.881 -0.149 1
1 146 . 9 1 1 A 15 15 LEU HA H 12 3.636 3.811 -0.175 1
1 156 . 9 1 1 A 15 15 LEU C C 12 177.617 178.992 -1.375 1
1 157 . 9 1 1 A 15 15 LEU CA C 12 57.790 57.579 0.211 1
1 158 . 9 1 1 A 15 15 LEU CB C 12 41.352 41.310 0.042 1
1 162 . 9 1 1 A 15 15 LEU N N 12 121.171 119.962 1.209 1
1 163 . 9 1 1 A 16 16 ILE H H 13 8.037 8.068 -0.031 1
1 164 . 9 1 1 A 16 16 ILE HA H 13 3.061 3.586 -0.525 1
1 174 . 9 1 1 A 16 16 ILE C C 13 177.708 177.901 -0.193 1
1 175 . 9 1 1 A 16 16 ILE CA C 13 65.872 65.182 0.690 1
1 176 . 9 1 1 A 16 16 ILE CB C 13 37.704 37.730 -0.026 1
1 180 . 9 1 1 A 16 16 ILE N N 13 117.849 120.126 -2.277 1
1 181 . 9 1 1 A 17 17 ARG H H 14 7.537 8.136 -0.599 1
1 182 . 9 1 1 A 17 17 ARG HA H 14 3.980 3.932 0.048 1
1 189 . 9 1 1 A 17 17 ARG C C 14 179.876 178.856 1.020 1
1 190 . 9 1 1 A 17 17 ARG CA C 14 59.920 59.719 0.201 1
1 191 . 9 1 1 A 17 17 ARG CB C 14 29.995 29.675 0.320 1
1 194 . 9 1 1 A 17 17 ARG N N 14 117.366 120.232 -2.866 1
1 195 . 9 1 1 A 18 18 ARG H H 15 8.068 7.693 0.375 1
1 196 . 9 1 1 A 18 18 ARG HA H 15 3.868 4.006 -0.138 1
1 203 . 9 1 1 A 18 18 ARG C C 15 176.630 178.825 -2.195 1
1 204 . 9 1 1 A 18 18 ARG CA C 15 59.606 59.353 0.253 1
1 205 . 9 1 1 A 18 18 ARG CB C 15 30.327 30.108 0.219 1
1 208 . 9 1 1 A 18 18 ARG N N 15 119.713 119.411 0.302 1
1 209 . 9 1 1 A 19 19 VAL H H 16 8.259 7.525 0.734 1
1 210 . 9 1 1 A 19 19 VAL HA H 16 3.296 3.766 -0.470 1
1 218 . 9 1 1 A 19 19 VAL C C 16 177.306 178.154 -0.848 1
1 219 . 9 1 1 A 19 19 VAL CA C 16 66.667 65.375 1.292 1
1 220 . 9 1 1 A 19 19 VAL CB C 16 30.421 31.469 -1.048 1
1 223 . 9 1 1 A 19 19 VAL N N 16 121.385 117.038 4.347 1
1 224 . 9 1 1 A 20 20 PHE H H 17 8.014 7.875 0.139 1
1 225 . 9 1 1 A 20 20 PHE HA H 17 4.222 4.267 -0.045 1
1 233 . 9 1 1 A 20 20 PHE C C 17 180.973 178.272 2.701 1
1 234 . 9 1 1 A 20 20 PHE CA C 17 61.988 61.478 0.510 1
1 235 . 9 1 1 A 20 20 PHE CB C 17 38.553 37.940 0.613 1
1 241 . 9 1 1 A 20 20 PHE N N 17 118.811 120.239 -1.428 1
1 242 . 9 1 1 A 21 21 ALA H H 18 8.192 8.139 0.053 1
1 243 . 9 1 1 A 21 21 ALA HA H 18 4.096 4.178 -0.082 1
1 247 . 9 1 1 A 21 21 ALA C C 18 178.425 178.945 -0.520 1
1 248 . 9 1 1 A 21 21 ALA CA C 18 54.716 54.531 0.185 1
1 249 . 9 1 1 A 21 21 ALA CB C 18 17.752 18.130 -0.378 1
1 250 . 9 1 1 A 21 21 ALA N N 18 122.995 121.740 1.255 1
1 251 . 9 1 1 A 22 22 ALA H H 19 7.256 7.266 -0.010 1
1 252 . 9 1 1 A 22 22 ALA HA H 19 4.356 4.392 -0.036 1
1 256 . 9 1 1 A 22 22 ALA C C 19 177.665 177.692 -0.027 1
1 257 . 9 1 1 A 22 22 ALA CA C 19 51.629 51.929 -0.300 1
1 258 . 9 1 1 A 22 22 ALA CB C 19 18.554 19.540 -0.986 1
1 259 . 9 1 1 A 22 22 ALA N N 19 118.872 118.430 0.442 1
1 260 . 9 1 1 A 23 23 GLY H H 20 7.774 8.513 -0.739 1
1 261 . 9 1 1 A 23 23 GLY HA2 H 20 4.207 3.887 0.320 1
1 262 . 9 1 1 A 23 23 GLY HA3 H 20 3.762 3.892 -0.130 1
1 263 . 9 1 1 A 23 23 GLY C C 20 174.779 174.464 0.315 1
1 264 . 9 1 1 A 23 23 GLY CA C 20 45.347 45.833 -0.486 1
1 265 . 9 1 1 A 23 23 GLY N N 20 106.718 107.899 -1.181 1
1 266 . 9 1 1 A 24 24 GLY H H 21 7.795 8.158 -0.363 1
1 267 . 9 1 1 A 24 24 GLY HA2 H 21 4.538 3.986 0.552 1
1 268 . 9 1 1 A 24 24 GLY HA3 H 21 3.306 3.996 -0.690 1
1 269 . 9 1 1 A 24 24 GLY C C 21 171.187 172.092 -0.905 1
1 270 . 9 1 1 A 24 24 GLY CA C 21 43.665 43.997 -0.332 1
1 271 . 9 1 1 A 24 24 GLY N N 21 108.369 108.036 0.333 1
1 272 . 9 1 1 A 25 25 PHE H H 22 7.340 8.505 -1.165 1
1 273 . 9 1 1 A 25 25 PHE HA H 22 3.784 4.396 -0.612 1
1 280 . 9 1 1 A 25 25 PHE C C 22 172.423 173.178 -0.755 1
1 281 . 9 1 1 A 25 25 PHE CA C 22 56.434 56.110 0.324 1
1 282 . 9 1 1 A 25 25 PHE CB C 22 42.819 42.875 -0.056 1
1 287 . 9 1 1 A 25 25 PHE N N 22 117.754 119.779 -2.025 1
1 288 . 9 1 1 A 26 26 ALA H H 23 5.579 7.835 -2.256 1
1 289 . 9 1 1 A 26 26 ALA HA H 23 4.943 5.159 -0.216 1
1 293 . 9 1 1 A 26 26 ALA C C 23 173.842 175.263 -1.421 1
1 294 . 9 1 1 A 26 26 ALA CA C 23 50.257 51.095 -0.838 1
1 295 . 9 1 1 A 26 26 ALA CB C 23 25.150 23.574 1.576 1
1 296 . 9 1 1 A 26 26 ALA N N 23 126.477 126.825 -0.348 1
1 297 . 9 1 1 A 27 27 ALA H H 24 8.723 8.185 0.538 1
1 298 . 9 1 1 A 27 27 ALA HA H 24 4.330 4.829 -0.499 1
1 302 . 9 1 1 A 27 27 ALA C C 24 175.543 176.070 -0.527 1
1 303 . 9 1 1 A 27 27 ALA CA C 24 51.545 51.804 -0.259 1
1 304 . 9 1 1 A 27 27 ALA CB C 24 22.974 22.849 0.125 1
1 305 . 9 1 1 A 27 27 ALA N N 24 118.178 119.996 -1.818 1
1 306 . 9 1 1 A 28 28 VAL H H 25 8.841 9.016 -0.175 1
1 307 . 9 1 1 A 28 28 VAL HA H 25 3.972 4.130 -0.158 1
1 315 . 9 1 1 A 28 28 VAL C C 25 175.547 175.618 -0.071 1
1 316 . 9 1 1 A 28 28 VAL CA C 25 64.153 63.283 0.870 1
1 317 . 9 1 1 A 28 28 VAL CB C 25 31.951 30.953 0.998 1
1 320 . 9 1 1 A 28 28 VAL N N 25 120.857 123.464 -2.607 1
1 321 . 9 1 1 A 29 29 GLU H H 26 8.595 9.009 -0.414 1
1 322 . 9 1 1 A 29 29 GLU HA H 26 4.275 4.357 -0.082 1
1 327 . 9 1 1 A 29 29 GLU C C 26 176.177 176.497 -0.320 1
1 328 . 9 1 1 A 29 29 GLU CA C 26 57.686 58.725 -1.039 1
1 329 . 9 1 1 A 29 29 GLU CB C 26 30.521 30.917 -0.396 1
1 331 . 9 1 1 A 29 29 GLU N N 26 132.091 127.707 4.384 1
1 332 . 9 1 1 A 30 30 LYS H H 27 8.163 7.662 0.501 1
1 333 . 9 1 1 A 30 30 LYS HA H 27 4.352 4.893 -0.541 1
1 342 . 9 1 1 A 30 30 LYS C C 27 174.232 173.890 0.342 1
1 343 . 9 1 1 A 30 30 LYS CA C 27 55.370 55.216 0.154 1
1 344 . 9 1 1 A 30 30 LYS CB C 27 36.138 36.042 0.096 1
1 348 . 9 1 1 A 30 30 LYS N N 27 119.899 119.480 0.419 1
1 349 . 9 1 1 A 31 31 LYS H H 28 8.603 8.647 -0.044 1
1 350 . 9 1 1 A 31 31 LYS HA H 28 3.268 4.122 -0.854 1
1 359 . 9 1 1 A 31 31 LYS C C 28 175.170 174.714 0.456 1
1 360 . 9 1 1 A 31 31 LYS CA C 28 56.089 54.018 2.071 1
1 361 . 9 1 1 A 31 31 LYS CB C 28 32.386 35.268 -2.882 1
1 365 . 9 1 1 A 31 31 LYS N N 28 129.067 126.687 2.380 1
1 366 . 9 1 1 A 32 32 GLY H H 29 3.335 7.017 -3.682 1
1 367 . 9 1 1 A 32 32 GLY HA2 H 29 3.652 3.957 -0.305 1
1 368 . 9 1 1 A 32 32 GLY HA3 H 29 2.313 4.009 -1.696 1
1 369 . 9 1 1 A 32 32 GLY C C 29 172.863 173.213 -0.350 1
1 370 . 9 1 1 A 32 32 GLY CA C 29 43.344 44.185 -0.841 1
1 371 . 9 1 1 A 32 32 GLY N N 29 113.639 112.287 1.352 1
1 372 . 9 1 1 A 33 33 ALA H H 30 8.202 8.014 0.188 1
1 373 . 9 1 1 A 33 33 ALA HA H 30 4.173 4.475 -0.302 1
1 377 . 9 1 1 A 33 33 ALA C C 30 181.026 178.917 2.109 1
1 378 . 9 1 1 A 33 33 ALA CA C 30 52.674 52.744 -0.070 1
1 379 . 9 1 1 A 33 33 ALA CB C 30 19.020 19.437 -0.417 1
1 380 . 9 1 1 A 33 33 ALA N N 30 121.182 124.286 -3.104 1
1 381 . 9 1 1 A 34 34 GLU H H 31 9.313 9.066 0.247 1
1 382 . 9 1 1 A 34 34 GLU HA H 31 4.130 4.326 -0.196 1
1 387 . 9 1 1 A 34 34 GLU C C 31 177.137 178.604 -1.467 1
1 388 . 9 1 1 A 34 34 GLU CA C 31 61.214 59.260 1.954 1
1 389 . 9 1 1 A 34 34 GLU CB C 31 29.947 29.666 0.281 1
1 391 . 9 1 1 A 34 34 GLU N N 31 126.206 125.043 1.163 1
1 392 . 9 1 1 A 35 35 ALA H H 32 8.614 8.052 0.562 1
1 393 . 9 1 1 A 35 35 ALA HA H 32 4.377 4.373 0.004 1
1 397 . 9 1 1 A 35 35 ALA C C 32 180.260 178.038 2.222 1
1 398 . 9 1 1 A 35 35 ALA CA C 32 55.118 54.129 0.989 1
1 399 . 9 1 1 A 35 35 ALA CB C 32 18.192 19.403 -1.211 1
1 400 . 9 1 1 A 35 35 ALA N N 32 119.251 121.346 -2.095 1
1 401 . 9 1 1 A 36 36 ALA H H 33 8.467 8.008 0.459 1
1 402 . 9 1 1 A 36 36 ALA HA H 33 4.612 4.422 0.190 1
1 406 . 9 1 1 A 36 36 ALA C C 33 177.468 177.366 0.102 1
1 407 . 9 1 1 A 36 36 ALA CA C 33 51.190 51.335 -0.145 1
1 408 . 9 1 1 A 36 36 ALA CB C 33 19.451 18.702 0.749 1
1 409 . 9 1 1 A 36 36 ALA N N 33 120.927 117.226 3.701 1
1 410 . 9 1 1 A 37 37 GLY H H 34 7.445 7.861 -0.416 1
1 411 . 9 1 1 A 37 37 GLY HA2 H 34 4.143 4.171 -0.028 1
1 412 . 9 1 1 A 37 37 GLY HA3 H 34 4.010 4.300 -0.290 1
1 413 . 9 1 1 A 37 37 GLY C C 34 174.885 173.531 1.354 1
1 414 . 9 1 1 A 37 37 GLY CA C 34 46.790 44.899 1.891 1
1 415 . 9 1 1 A 37 37 GLY N N 34 105.715 107.031 -1.316 1
1 416 . 9 1 1 A 38 38 ALA H H 35 9.722 8.349 1.373 1
1 417 . 9 1 1 A 38 38 ALA HA H 35 4.053 4.475 -0.422 1
1 421 . 9 1 1 A 38 38 ALA CA C 35 52.676 51.840 0.836 1
1 422 . 9 1 1 A 38 38 ALA CB C 35 20.069 20.099 -0.030 1
1 423 . 9 1 1 A 38 38 ALA N N 35 131.782 122.222 9.560 1
1 424 . 9 1 1 A 39 39 ILE H H 36 7.776 8.491 -0.715 1
1 425 . 9 1 1 A 39 39 ILE HA H 36 4.533 5.081 -0.548 1
1 435 . 9 1 1 A 39 39 ILE C C 36 172.754 174.709 -1.955 1
1 436 . 9 1 1 A 39 39 ILE CA C 36 61.429 60.634 0.795 1
1 437 . 9 1 1 A 39 39 ILE CB C 36 40.275 41.016 -0.741 1
1 441 . 9 1 1 A 39 39 ILE N N 36 119.692 120.750 -1.058 1
1 442 . 9 1 1 A 40 40 PHE H H 37 8.513 9.549 -1.036 1
1 443 . 9 1 1 A 40 40 PHE HA H 37 5.242 5.556 -0.314 1
1 448 . 9 1 1 A 40 40 PHE C C 37 175.559 174.606 0.953 1
1 449 . 9 1 1 A 40 40 PHE CA C 37 56.375 56.492 -0.117 1
1 450 . 9 1 1 A 40 40 PHE CB C 37 41.794 40.892 0.902 1
1 453 . 9 1 1 A 40 40 PHE N N 37 123.003 125.530 -2.527 1
1 454 . 9 1 1 A 41 41 VAL H H 38 8.898 9.286 -0.388 1
1 455 . 9 1 1 A 41 41 VAL HA H 38 4.981 5.317 -0.336 1
1 463 . 9 1 1 A 41 41 VAL C C 38 174.233 175.563 -1.330 1
1 464 . 9 1 1 A 41 41 VAL CA C 38 60.287 60.757 -0.470 1
1 465 . 9 1 1 A 41 41 VAL CB C 38 35.122 34.783 0.339 1
1 468 . 9 1 1 A 41 41 VAL N N 38 120.239 123.093 -2.854 1
1 469 . 9 1 1 A 42 42 ARG H H 39 9.399 9.066 0.333 1
1 470 . 9 1 1 A 42 42 ARG HA H 39 5.094 5.236 -0.142 1
1 478 . 9 1 1 A 42 42 ARG C C 39 173.198 174.624 -1.426 1
1 479 . 9 1 1 A 42 42 ARG CA C 39 54.067 54.717 -0.650 1
1 480 . 9 1 1 A 42 42 ARG CB C 39 33.430 32.809 0.621 1
1 483 . 9 1 1 A 42 42 ARG N N 39 129.107 123.159 5.948 1
1 485 . 9 1 1 A 43 43 GLN H H 40 9.402 8.750 0.652 1
1 486 . 9 1 1 A 43 43 GLN HA H 40 5.371 4.885 0.486 1
1 493 . 9 1 1 A 43 43 GLN C C 40 174.278 175.080 -0.802 1
1 494 . 9 1 1 A 43 43 GLN CA C 40 52.778 55.508 -2.730 1
1 495 . 9 1 1 A 43 43 GLN CB C 40 31.703 30.120 1.583 1
1 497 . 9 1 1 A 43 43 GLN N N 40 127.936 124.699 3.237 1
1 499 . 9 1 1 A 44 44 ARG H H 41 8.875 8.912 -0.037 1
1 500 . 9 1 1 A 44 44 ARG HA H 41 4.488 4.918 -0.430 1
1 507 . 9 1 1 A 44 44 ARG C C 41 175.417 175.631 -0.214 1
1 508 . 9 1 1 A 44 44 ARG CA C 41 56.319 55.394 0.925 1
1 509 . 9 1 1 A 44 44 ARG CB C 41 31.231 31.681 -0.450 1
1 512 . 9 1 1 A 44 44 ARG N N 41 127.617 128.889 -1.272 1
1 513 . 9 1 1 A 45 45 LEU H H 42 8.494 9.031 -0.537 1
1 514 . 9 1 1 A 45 45 LEU HA H 42 4.480 4.726 -0.246 1
1 524 . 9 1 1 A 45 45 LEU C C 42 179.893 178.089 1.804 1
1 525 . 9 1 1 A 45 45 LEU CA C 42 53.972 53.678 0.294 1
1 526 . 9 1 1 A 45 45 LEU CB C 42 42.206 42.994 -0.788 1
1 530 . 9 1 1 A 45 45 LEU N N 42 125.380 127.076 -1.696 1
1 531 . 9 1 1 A 46 46 ARG H H 43 9.223 8.957 0.266 1
1 532 . 9 1 1 A 46 46 ARG HA H 43 3.929 4.085 -0.156 1
1 539 . 9 1 1 A 46 46 ARG C C 43 177.114 177.662 -0.548 1
1 540 . 9 1 1 A 46 46 ARG CA C 43 58.773 58.413 0.360 1
1 541 . 9 1 1 A 46 46 ARG CB C 43 29.688 29.901 -0.213 1
1 544 . 9 1 1 A 46 46 ARG N N 43 121.380 121.575 -0.195 1
1 545 . 9 1 1 A 47 47 ASP H H 44 7.727 7.976 -0.249 1
1 546 . 9 1 1 A 47 47 ASP HA H 44 4.373 4.601 -0.228 1
1 549 . 9 1 1 A 47 47 ASP C C 44 177.125 176.542 0.583 1
1 550 . 9 1 1 A 47 47 ASP CA C 44 53.256 54.401 -1.145 1
1 551 . 9 1 1 A 47 47 ASP CB C 44 39.993 40.987 -0.994 1
1 552 . 9 1 1 A 47 47 ASP N N 44 115.801 117.917 -2.116 1
1 553 . 9 1 1 A 48 48 GLY H H 45 7.878 7.810 0.068 1
1 554 . 9 1 1 A 48 48 GLY HA2 H 45 4.237 3.909 0.328 1
1 555 . 9 1 1 A 48 48 GLY HA3 H 45 3.531 3.911 -0.380 1
1 556 . 9 1 1 A 48 48 GLY C C 45 175.041 174.153 0.888 1
1 557 . 9 1 1 A 48 48 GLY CA C 45 45.289 45.119 0.170 1
1 558 . 9 1 1 A 48 48 GLY N N 45 108.005 106.821 1.184 1
1 559 . 9 1 1 A 49 49 ARG H H 46 7.696 7.834 -0.138 1
1 560 . 9 1 1 A 49 49 ARG HA H 46 4.309 4.639 -0.330 1
1 567 . 9 1 1 A 49 49 ARG C C 46 174.199 175.229 -1.030 1
1 568 . 9 1 1 A 49 49 ARG CA C 46 55.909 55.354 0.555 1
1 569 . 9 1 1 A 49 49 ARG CB C 46 31.226 32.092 -0.866 1
1 572 . 9 1 1 A 49 49 ARG N N 46 120.601 120.393 0.208 1
1 573 . 9 1 1 A 50 50 GLU H H 47 8.885 8.682 0.203 1
1 574 . 9 1 1 A 50 50 GLU HA H 47 5.381 5.519 -0.138 1
1 579 . 9 1 1 A 50 50 GLU C C 47 175.590 174.859 0.731 1
1 580 . 9 1 1 A 50 50 GLU CA C 47 55.057 54.742 0.315 1
1 581 . 9 1 1 A 50 50 GLU CB C 47 35.650 34.180 1.470 1
1 583 . 9 1 1 A 50 50 GLU N N 47 116.439 118.743 -2.304 1
1 584 . 9 1 1 A 51 51 ASN H H 48 8.683 8.835 -0.152 1
1 585 . 9 1 1 A 51 51 ASN HA H 48 5.153 5.466 -0.313 1
1 590 . 9 1 1 A 51 51 ASN C C 48 173.562 173.730 -0.168 1
1 591 . 9 1 1 A 51 51 ASN CA C 48 50.361 51.790 -1.429 1
1 592 . 9 1 1 A 51 51 ASN CB C 48 41.823 41.397 0.426 1
1 593 . 9 1 1 A 51 51 ASN N N 48 114.752 119.041 -4.289 1
1 595 . 9 1 1 A 52 52 LEU H H 49 8.847 8.438 0.409 1
1 596 . 9 1 1 A 52 52 LEU HA H 49 5.274 5.023 0.251 1
1 606 . 9 1 1 A 52 52 LEU C C 49 174.213 173.481 0.732 1
1 607 . 9 1 1 A 52 52 LEU CA C 49 52.889 53.427 -0.538 1
1 608 . 9 1 1 A 52 52 LEU CB C 49 46.300 46.379 -0.079 1
1 612 . 9 1 1 A 52 52 LEU N N 49 120.365 122.674 -2.309 1
1 613 . 9 1 1 A 53 53 TYR H H 50 9.641 9.027 0.614 1
1 614 . 9 1 1 A 53 53 TYR HA H 50 5.519 5.639 -0.120 1
1 621 . 9 1 1 A 53 53 TYR C C 50 175.473 175.424 0.049 1
1 622 . 9 1 1 A 53 53 TYR CA C 50 55.928 55.625 0.303 1
1 623 . 9 1 1 A 53 53 TYR CB C 50 40.076 43.271 -3.195 1
1 628 . 9 1 1 A 53 53 TYR N N 50 127.507 124.341 3.166 1
1 629 . 9 1 1 A 54 54 GLY H H 51 8.893 8.572 0.321 1
1 630 . 9 1 1 A 54 54 GLY HA2 H 51 4.687 3.400 1.287 1
1 631 . 9 1 1 A 54 54 GLY HA3 H 51 3.127 3.485 -0.358 1
1 632 . 9 1 1 A 54 54 GLY CA C 51 44.040 44.285 -0.245 1
1 633 . 9 1 1 A 54 54 GLY N N 51 108.518 109.093 -0.575 1
1 634 . 9 1 1 A 55 55 PRO HA H 52 3.849 3.860 -0.011 1
1 641 . 9 1 1 A 55 55 PRO C C 52 176.695 176.747 -0.052 1
1 642 . 9 1 1 A 55 55 PRO CA C 52 63.187 61.951 1.236 1
1 643 . 9 1 1 A 55 55 PRO CB C 52 32.096 31.455 0.641 1
1 646 . 9 1 1 A 56 56 ALA H H 53 7.675 7.963 -0.288 1
1 647 . 9 1 1 A 56 56 ALA HA H 53 4.242 4.587 -0.345 1
1 651 . 9 1 1 A 56 56 ALA CA C 53 49.506 50.490 -0.984 1
1 652 . 9 1 1 A 56 56 ALA CB C 53 18.096 17.430 0.666 1
1 653 . 9 1 1 A 56 56 ALA N N 53 126.695 124.424 2.271 1
1 654 . 9 1 1 A 57 57 PRO HA H 54 4.186 4.651 -0.465 1
1 661 . 9 1 1 A 57 57 PRO C C 54 179.368 176.082 3.286 1
1 662 . 9 1 1 A 57 57 PRO CA C 54 63.116 62.295 0.821 1
1 663 . 9 1 1 A 57 57 PRO CB C 54 31.747 29.519 2.228 1
1 666 . 9 1 1 A 58 58 GLN H H 55 8.278 8.311 -0.033 1
1 667 . 9 1 1 A 58 58 GLN HA H 55 4.083 4.353 -0.270 1
1 674 . 9 1 1 A 58 58 GLN C C 55 175.368 175.420 -0.052 1
1 675 . 9 1 1 A 58 58 GLN CA C 55 55.635 56.037 -0.402 1
1 676 . 9 1 1 A 58 58 GLN CB C 55 29.927 29.214 0.713 1
1 678 . 9 1 1 A 58 58 GLN N N 55 121.313 123.311 -1.998 1
1 680 . 9 1 1 A 59 59 SER H H 56 8.182 8.528 -0.346 1
1 681 . 9 1 1 A 59 59 SER HA H 56 4.246 4.358 -0.112 1
1 684 . 9 1 1 A 59 59 SER C C 56 174.075 173.636 0.439 1
1 685 . 9 1 1 A 59 59 SER CA C 56 57.667 57.537 0.130 1
1 686 . 9 1 1 A 59 59 SER CB C 56 63.751 62.251 1.500 1
1 687 . 9 1 1 A 59 59 SER N N 56 117.615 121.722 -4.107 1
1 688 . 9 1 1 A 60 60 PHE H H 57 8.100 7.777 0.323 1
1 689 . 9 1 1 A 60 60 PHE HA H 57 4.493 4.538 -0.045 1
1 696 . 9 1 1 A 60 60 PHE C C 57 175.439 175.143 0.296 1
1 697 . 9 1 1 A 60 60 PHE CA C 57 57.622 57.000 0.622 1
1 698 . 9 1 1 A 60 60 PHE CB C 57 39.519 39.697 -0.178 1
1 703 . 9 1 1 A 60 60 PHE N N 57 121.890 121.411 0.479 1
1 704 . 9 1 1 A 61 61 ALA H H 58 8.234 8.586 -0.352 1
1 705 . 9 1 1 A 61 61 ALA HA H 58 4.165 4.843 -0.678 1
1 709 . 9 1 1 A 61 61 ALA C C 58 179.286 177.220 2.066 1
1 710 . 9 1 1 A 61 61 ALA CA C 58 52.471 50.891 1.580 1
1 711 . 9 1 1 A 61 61 ALA CB C 58 19.444 20.374 -0.930 1
1 712 . 9 1 1 A 61 61 ALA N N 58 124.383 123.949 0.434 1
1 713 . 9 1 1 A 62 62 ASP H H 59 8.017 9.440 -1.423 1
1 714 . 9 1 1 A 62 62 ASP HA H 59 4.412 4.392 0.020 1
1 717 . 9 1 1 A 62 62 ASP C C 59 176.073 174.795 1.278 1
1 718 . 9 1 1 A 62 62 ASP CA C 59 54.360 55.187 -0.827 1
1 719 . 9 1 1 A 62 62 ASP CB C 59 41.213 39.847 1.366 1
1 720 . 9 1 1 A 62 62 ASP N N 59 118.579 124.965 -6.386 1
1 721 . 9 1 1 A 63 63 ASP H H 60 8.096 8.701 -0.605 1
1 722 . 9 1 1 A 63 63 ASP HA H 60 4.346 3.977 0.369 1
1 725 . 9 1 1 A 63 63 ASP C C 60 176.619 175.677 0.942 1
1 726 . 9 1 1 A 63 63 ASP CA C 60 54.714 55.566 -0.852 1
1 727 . 9 1 1 A 63 63 ASP CB C 60 40.801 38.867 1.934 1
1 728 . 9 1 1 A 63 63 ASP N N 60 119.530 111.270 8.260 1
1 729 . 9 1 1 A 64 64 GLU H H 61 8.109 7.950 0.159 1
1 730 . 9 1 1 A 64 64 GLU HA H 61 4.012 4.053 -0.041 1
1 735 . 9 1 1 A 64 64 GLU C C 61 176.652 178.898 -2.246 1
1 736 . 9 1 1 A 64 64 GLU CA C 61 57.301 58.983 -1.682 1
1 737 . 9 1 1 A 64 64 GLU CB C 61 30.107 29.176 0.931 1
1 739 . 9 1 1 A 64 64 GLU N N 61 120.050 118.811 1.239 1
1 740 . 9 1 1 A 65 65 ASP H H 62 8.062 8.330 -0.268 1
1 741 . 9 1 1 A 65 65 ASP HA H 62 4.369 4.331 0.038 1
1 744 . 9 1 1 A 65 65 ASP C C 62 177.458 178.635 -1.177 1
1 745 . 9 1 1 A 65 65 ASP CA C 62 54.645 56.646 -2.001 1
1 746 . 9 1 1 A 65 65 ASP CB C 62 40.896 40.530 0.366 1
1 747 . 9 1 1 A 65 65 ASP N N 62 120.211 120.204 0.007 1
1 748 . 9 1 1 A 66 66 ILE H H 63 7.805 7.557 0.248 1
1 749 . 9 1 1 A 66 66 ILE HA H 63 3.708 3.836 -0.128 1
1 759 . 9 1 1 A 66 66 ILE C C 63 176.802 177.393 -0.591 1
1 760 . 9 1 1 A 66 66 ILE CA C 63 62.754 64.346 -1.592 1
1 761 . 9 1 1 A 66 66 ILE CB C 63 38.230 38.054 0.176 1
1 765 . 9 1 1 A 66 66 ILE N N 63 121.259 120.649 0.610 1
1 766 . 9 1 1 A 67 67 MET H H 64 7.950 7.794 0.156 1
1 767 . 9 1 1 A 67 67 MET HA H 64 4.229 4.669 -0.440 1
1 775 . 9 1 1 A 67 67 MET C C 64 176.724 176.880 -0.156 1
1 776 . 9 1 1 A 67 67 MET CA C 64 55.944 54.589 1.355 1
1 777 . 9 1 1 A 67 67 MET CB C 64 31.826 34.586 -2.760 1
1 780 . 9 1 1 A 67 67 MET N N 64 118.533 115.480 3.053 1
1 781 . 9 1 1 A 68 68 ARG H H 65 7.604 8.202 -0.598 1
1 782 . 9 1 1 A 68 68 ARG HA H 65 4.197 4.469 -0.272 1
1 789 . 9 1 1 A 68 68 ARG C C 65 175.530 175.632 -0.102 1
1 790 . 9 1 1 A 68 68 ARG CA C 65 56.028 56.084 -0.056 1
1 791 . 9 1 1 A 68 68 ARG CB C 65 30.760 31.512 -0.752 1
1 794 . 9 1 1 A 68 68 ARG N N 65 118.706 117.990 0.716 1
1 795 . 9 1 1 A 69 69 ALA H H 66 7.634 7.650 -0.016 1
1 796 . 9 1 1 A 69 69 ALA HA H 66 4.254 4.837 -0.583 1
1 800 . 9 1 1 A 69 69 ALA C C 66 176.846 175.376 1.470 1
1 801 . 9 1 1 A 69 69 ALA CA C 66 51.905 50.991 0.914 1
1 802 . 9 1 1 A 69 69 ALA CB C 66 20.023 23.045 -3.022 1
1 803 . 9 1 1 A 69 69 ALA N N 66 123.528 119.909 3.619 1
1 804 . 9 1 1 A 70 70 GLU H H 67 8.192 8.584 -0.392 1
1 805 . 9 1 1 A 70 70 GLU HA H 67 4.228 4.483 -0.255 1
1 810 . 9 1 1 A 70 70 GLU C C 67 176.333 176.168 0.165 1
1 811 . 9 1 1 A 70 70 GLU CA C 67 55.928 56.396 -0.468 1
1 812 . 9 1 1 A 70 70 GLU CB C 67 30.769 30.245 0.524 1
1 814 . 9 1 1 A 70 70 GLU N N 67 120.599 121.775 -1.176 1
1 815 . 9 1 1 A 71 71 ARG H H 68 8.674 8.360 0.314 1
1 816 . 9 1 1 A 71 71 ARG HA H 68 3.696 4.252 -0.556 1
1 823 . 9 1 1 A 71 71 ARG C C 68 175.422 175.253 0.169 1
1 824 . 9 1 1 A 71 71 ARG CA C 68 56.964 56.211 0.753 1
1 825 . 9 1 1 A 71 71 ARG CB C 68 30.886 30.288 0.598 1
1 828 . 9 1 1 A 71 71 ARG N N 68 123.533 124.141 -0.608 1
1 829 . 9 1 1 A 72 72 ARG H H 69 7.660 8.638 -0.978 1
1 830 . 9 1 1 A 72 72 ARG HA H 69 4.642 4.863 -0.221 1
1 837 . 9 1 1 A 72 72 ARG C C 69 175.051 175.548 -0.497 1
1 838 . 9 1 1 A 72 72 ARG CA C 69 54.297 55.124 -0.827 1
1 839 . 9 1 1 A 72 72 ARG CB C 69 33.555 31.837 1.718 1
1 842 . 9 1 1 A 72 72 ARG N N 69 120.057 123.734 -3.677 1
1 843 . 9 1 1 A 73 73 PHE H H 70 8.714 8.790 -0.076 1
1 844 . 9 1 1 A 73 73 PHE HA H 70 5.020 5.007 0.013 1
1 852 . 9 1 1 A 73 73 PHE C C 70 173.159 174.659 -1.500 1
1 853 . 9 1 1 A 73 73 PHE CA C 70 57.359 57.214 0.145 1
1 854 . 9 1 1 A 73 73 PHE CB C 70 43.426 41.747 1.679 1
1 860 . 9 1 1 A 73 73 PHE N N 70 119.519 122.865 -3.346 1
1 861 . 9 1 1 A 74 74 GLU H H 71 9.404 9.228 0.176 1
1 862 . 9 1 1 A 74 74 GLU HA H 71 4.996 5.125 -0.129 1
1 867 . 9 1 1 A 74 74 GLU C C 71 175.559 174.963 0.596 1
1 868 . 9 1 1 A 74 74 GLU CA C 71 52.975 54.704 -1.729 1
1 869 . 9 1 1 A 74 74 GLU CB C 71 33.399 33.311 0.088 1
1 871 . 9 1 1 A 74 74 GLU N N 71 117.679 118.926 -1.247 1
1 872 . 9 1 1 A 75 75 THR H H 72 9.801 9.132 0.669 1
1 873 . 9 1 1 A 75 75 THR HA H 72 4.108 4.608 -0.500 1
1 878 . 9 1 1 A 75 75 THR C C 72 175.065 173.907 1.158 1
1 879 . 9 1 1 A 75 75 THR CA C 72 64.296 63.083 1.213 1
1 880 . 9 1 1 A 75 75 THR CB C 72 67.635 68.643 -1.008 1
1 882 . 9 1 1 A 75 75 THR N N 72 122.320 119.584 2.736 1
1 883 . 9 1 1 A 76 76 ARG H H 73 9.150 9.145 0.005 1
1 884 . 9 1 1 A 76 76 ARG HA H 73 4.283 4.363 -0.080 1
1 892 . 9 1 1 A 76 76 ARG C C 73 176.574 176.396 0.178 1
1 893 . 9 1 1 A 76 76 ARG CA C 73 55.858 58.179 -2.321 1
1 894 . 9 1 1 A 76 76 ARG CB C 73 30.930 31.122 -0.192 1
1 897 . 9 1 1 A 76 76 ARG N N 73 127.709 128.257 -0.548 1
1 899 . 9 1 1 A 77 77 LEU H H 74 7.520 7.343 0.177 1
1 900 . 9 1 1 A 77 77 LEU HA H 74 4.480 4.864 -0.384 1
1 910 . 9 1 1 A 77 77 LEU C C 74 174.509 175.496 -0.987 1
1 911 . 9 1 1 A 77 77 LEU CA C 74 54.222 52.965 1.257 1
1 912 . 9 1 1 A 77 77 LEU CB C 74 47.315 45.764 1.551 1
1 916 . 9 1 1 A 77 77 LEU N N 74 117.021 118.221 -1.200 1
1 917 . 9 1 1 A 78 78 ALA H H 75 8.600 8.421 0.179 1
1 918 . 9 1 1 A 78 78 ALA HA H 75 4.999 4.848 0.151 1
1 922 . 9 1 1 A 78 78 ALA C C 75 176.343 177.152 -0.809 1
1 923 . 9 1 1 A 78 78 ALA CA C 75 50.324 51.749 -1.425 1
1 924 . 9 1 1 A 78 78 ALA CB C 75 21.074 22.259 -1.185 1
1 925 . 9 1 1 A 78 78 ALA N N 75 124.663 122.150 2.513 1
1 926 . 9 1 1 A 79 79 GLY H H 76 8.730 8.768 -0.038 1
1 927 . 9 1 1 A 79 79 GLY HA2 H 76 3.706 3.835 -0.129 1
1 928 . 9 1 1 A 79 79 GLY HA3 H 76 3.306 3.835 -0.529 1
1 929 . 9 1 1 A 79 79 GLY C C 76 175.173 174.102 1.071 1
1 930 . 9 1 1 A 79 79 GLY CA C 76 47.520 46.569 0.951 1
1 931 . 9 1 1 A 79 79 GLY N N 76 114.411 111.241 3.170 1
1 932 . 9 1 1 A 80 80 VAL H H 77 8.380 7.752 0.628 1
1 933 . 9 1 1 A 80 80 VAL HA H 77 4.643 4.555 0.088 1
1 941 . 9 1 1 A 80 80 VAL C C 77 175.208 175.019 0.189 1
1 942 . 9 1 1 A 80 80 VAL CA C 77 59.289 60.032 -0.743 1
1 943 . 9 1 1 A 80 80 VAL CB C 77 34.226 33.857 0.369 1
1 946 . 9 1 1 A 80 80 VAL N N 77 112.611 117.137 -4.526 1
1 947 . 9 1 1 A 81 81 GLU H H 78 8.415 8.453 -0.038 1
1 948 . 9 1 1 A 81 81 GLU HA H 78 4.451 4.646 -0.195 1
1 953 . 9 1 1 A 81 81 GLU C C 78 178.955 178.109 0.846 1
1 954 . 9 1 1 A 81 81 GLU CA C 78 55.631 54.638 0.993 1
1 955 . 9 1 1 A 81 81 GLU CB C 78 30.535 30.960 -0.425 1
1 957 . 9 1 1 A 81 81 GLU N N 78 117.186 121.139 -3.953 1
1 958 . 9 1 1 A 82 82 GLY H H 79 8.834 8.795 0.039 1
1 959 . 9 1 1 A 82 82 GLY HA2 H 79 3.810 3.854 -0.044 1
1 960 . 9 1 1 A 82 82 GLY HA3 H 79 3.518 3.856 -0.338 1
1 961 . 9 1 1 A 82 82 GLY C C 79 176.446 175.710 0.736 1
1 962 . 9 1 1 A 82 82 GLY CA C 79 47.629 47.149 0.480 1
1 963 . 9 1 1 A 82 82 GLY N N 79 109.312 108.076 1.236 1
1 964 . 9 1 1 A 83 83 GLU H H 80 8.747 8.104 0.643 1
1 965 . 9 1 1 A 83 83 GLU HA H 80 3.972 4.092 -0.120 1
1 970 . 9 1 1 A 83 83 GLU C C 80 179.046 179.005 0.041 1
1 971 . 9 1 1 A 83 83 GLU CA C 80 59.403 59.044 0.359 1
1 972 . 9 1 1 A 83 83 GLU CB C 80 29.005 29.509 -0.504 1
1 974 . 9 1 1 A 83 83 GLU N N 80 119.416 121.316 -1.900 1
1 975 . 9 1 1 A 84 84 GLU H H 81 7.588 8.158 -0.570 1
1 976 . 9 1 1 A 84 84 GLU HA H 81 4.003 4.057 -0.054 1
1 981 . 9 1 1 A 84 84 GLU C C 81 179.682 179.431 0.251 1
1 982 . 9 1 1 A 84 84 GLU CA C 81 59.213 59.209 0.004 1
1 983 . 9 1 1 A 84 84 GLU CB C 81 29.473 29.294 0.179 1
1 985 . 9 1 1 A 84 84 GLU N N 81 120.110 119.448 0.662 1
1 986 . 9 1 1 A 85 85 ILE H H 82 6.936 7.796 -0.860 1
1 987 . 9 1 1 A 85 85 ILE HA H 82 3.356 3.598 -0.242 1
1 997 . 9 1 1 A 85 85 ILE C C 82 177.308 177.878 -0.570 1
1 998 . 9 1 1 A 85 85 ILE CA C 82 64.055 65.867 -1.812 1
1 999 . 9 1 1 A 85 85 ILE CB C 82 36.836 38.392 -1.556 1
1 1003 . 9 1 1 A 85 85 ILE N N 82 120.268 121.385 -1.117 1
1 1004 . 9 1 1 A 86 86 ALA H H 83 8.292 8.373 -0.081 1
1 1005 . 9 1 1 A 86 86 ALA HA H 83 3.787 3.969 -0.182 1
1 1009 . 9 1 1 A 86 86 ALA C C 83 180.345 179.668 0.677 1
1 1010 . 9 1 1 A 86 86 ALA CA C 83 55.103 55.321 -0.218 1
1 1011 . 9 1 1 A 86 86 ALA CB C 83 17.928 18.209 -0.281 1
1 1012 . 9 1 1 A 86 86 ALA N N 83 121.052 121.169 -0.117 1
1 1013 . 9 1 1 A 87 87 ALA H H 84 7.516 7.818 -0.302 1
1 1014 . 9 1 1 A 87 87 ALA HA H 84 4.006 4.126 -0.120 1
1 1018 . 9 1 1 A 87 87 ALA C C 84 180.272 179.341 0.931 1
1 1019 . 9 1 1 A 87 87 ALA CA C 84 54.765 55.104 -0.339 1
1 1020 . 9 1 1 A 87 87 ALA CB C 84 17.949 18.003 -0.054 1
1 1021 . 9 1 1 A 87 87 ALA N N 84 119.052 120.263 -1.211 1
1 1022 . 9 1 1 A 88 88 LEU H H 85 7.285 7.297 -0.012 1
1 1023 . 9 1 1 A 88 88 LEU HA H 85 4.042 4.146 -0.104 1
1 1033 . 9 1 1 A 88 88 LEU C C 85 174.921 178.745 -3.824 1
1 1034 . 9 1 1 A 88 88 LEU CA C 85 58.290 57.184 1.106 1
1 1035 . 9 1 1 A 88 88 LEU CB C 85 41.610 42.473 -0.863 1
1 1039 . 9 1 1 A 88 88 LEU N N 85 121.211 118.862 2.349 1
1 1040 . 9 1 1 A 89 89 LEU H H 86 8.472 8.006 0.466 1
1 1041 . 9 1 1 A 89 89 LEU HA H 86 3.486 3.772 -0.286 1
1 1051 . 9 1 1 A 89 89 LEU C C 86 178.855 179.551 -0.696 1
1 1052 . 9 1 1 A 89 89 LEU CA C 86 57.476 57.157 0.319 1
1 1053 . 9 1 1 A 89 89 LEU CB C 86 41.478 40.781 0.697 1
1 1057 . 9 1 1 A 89 89 LEU N N 86 118.740 118.197 0.543 1
1 1058 . 9 1 1 A 90 90 GLU H H 87 7.926 8.932 -1.006 1
1 1059 . 9 1 1 A 90 90 GLU HA H 87 3.726 3.965 -0.239 1
1 1064 . 9 1 1 A 90 90 GLU C C 87 178.738 178.228 0.510 1
1 1065 . 9 1 1 A 90 90 GLU CA C 87 59.511 58.980 0.531 1
1 1066 . 9 1 1 A 90 90 GLU CB C 87 28.855 28.922 -0.067 1
1 1068 . 9 1 1 A 90 90 GLU N N 87 119.669 117.959 1.710 1
1 1069 . 9 1 1 A 91 91 ARG H H 88 7.069 7.758 -0.689 1
1 1070 . 9 1 1 A 91 91 ARG HA H 88 3.762 4.178 -0.416 1
1 1077 . 9 1 1 A 91 91 ARG C C 88 178.920 178.775 0.145 1
1 1078 . 9 1 1 A 91 91 ARG CA C 88 59.544 58.724 0.820 1
1 1079 . 9 1 1 A 91 91 ARG CB C 88 29.723 30.016 -0.293 1
1 1082 . 9 1 1 A 91 91 ARG N N 88 119.088 119.179 -0.091 1
1 1083 . 9 1 1 A 92 92 GLU H H 89 8.170 8.065 0.105 1
1 1084 . 9 1 1 A 92 92 GLU HA H 89 4.021 4.099 -0.078 1
1 1089 . 9 1 1 A 92 92 GLU C C 89 180.250 179.498 0.752 1
1 1090 . 9 1 1 A 92 92 GLU CA C 89 58.661 58.686 -0.025 1
1 1091 . 9 1 1 A 92 92 GLU CB C 89 28.073 29.305 -1.232 1
1 1093 . 9 1 1 A 92 92 GLU N N 89 117.768 119.632 -1.864 1
1 1094 . 9 1 1 A 93 93 ARG H H 90 8.355 7.977 0.378 1
1 1095 . 9 1 1 A 93 93 ARG HA H 90 4.003 4.303 -0.300 1
1 1102 . 9 1 1 A 93 93 ARG C C 90 177.592 178.588 -0.996 1
1 1103 . 9 1 1 A 93 93 ARG CA C 90 57.744 58.844 -1.100 1
1 1104 . 9 1 1 A 93 93 ARG CB C 90 30.325 29.667 0.658 1
1 1107 . 9 1 1 A 93 93 ARG N N 90 119.179 119.057 0.122 1
1 1108 . 9 1 1 A 94 94 ARG H H 91 7.232 7.646 -0.414 1
1 1109 . 9 1 1 A 94 94 ARG HA H 91 3.788 4.013 -0.225 1
1 1116 . 9 1 1 A 94 94 ARG C C 91 177.986 178.569 -0.583 1
1 1117 . 9 1 1 A 94 94 ARG CA C 91 58.462 59.076 -0.614 1
1 1118 . 9 1 1 A 94 94 ARG CB C 91 29.565 29.766 -0.201 1
1 1121 . 9 1 1 A 94 94 ARG N N 91 118.441 119.951 -1.510 1
1 1122 . 9 1 1 A 95 95 PHE H H 92 7.048 7.456 -0.408 1
1 1123 . 9 1 1 A 95 95 PHE HA H 92 4.474 4.194 0.280 1
1 1128 . 9 1 1 A 95 95 PHE C C 92 175.728 174.912 0.816 1
1 1129 . 9 1 1 A 95 95 PHE CA C 92 58.210 60.624 -2.414 1
1 1130 . 9 1 1 A 95 95 PHE CB C 92 39.724 40.144 -0.420 1
1 1133 . 9 1 1 A 95 95 PHE N N 92 115.951 120.565 -4.614 1
1 1134 . 9 1 1 A 96 96 ASP H H 93 7.793 8.173 -0.380 1
1 1135 . 9 1 1 A 96 96 ASP HA H 93 4.703 4.883 -0.180 1
1 1138 . 9 1 1 A 96 96 ASP C C 93 179.474 175.971 3.503 1
1 1139 . 9 1 1 A 96 96 ASP CA C 93 53.103 53.170 -0.067 1
1 1140 . 9 1 1 A 96 96 ASP CB C 93 41.634 41.875 -0.241 1
1 1141 . 9 1 1 A 96 96 ASP N N 93 119.328 118.472 0.856 1
1 1142 . 9 1 1 A 97 97 SER H H 94 8.490 8.918 -0.428 1
1 1143 . 9 1 1 A 97 97 SER HA H 94 4.204 4.425 -0.221 1
1 1146 . 9 1 1 A 97 97 SER C C 94 175.549 175.115 0.434 1
1 1147 . 9 1 1 A 97 97 SER CA C 94 60.047 59.500 0.547 1
1 1148 . 9 1 1 A 97 97 SER CB C 94 63.408 62.969 0.439 1
1 1149 . 9 1 1 A 97 97 SER N N 94 118.740 121.082 -2.342 1
1 1150 . 9 1 1 A 98 98 ASP H H 95 8.229 8.066 0.163 1
1 1151 . 9 1 1 A 98 98 ASP HA H 95 4.684 4.684 0.000 1
1 1154 . 9 1 1 A 98 98 ASP C C 95 175.547 175.975 -0.428 1
1 1155 . 9 1 1 A 98 98 ASP CA C 95 54.380 54.617 -0.237 1
1 1156 . 9 1 1 A 98 98 ASP CB C 95 42.267 41.221 1.046 1
1 1157 . 9 1 1 A 98 98 ASP N N 95 121.306 119.745 1.561 1
1 1158 . 9 1 1 A 99 99 LEU H H 96 6.613 7.454 -0.841 1
1 1159 . 9 1 1 A 99 99 LEU HA H 96 4.801 5.050 -0.249 1
1 1169 . 9 1 1 A 99 99 LEU C C 96 176.224 176.270 -0.046 1
1 1170 . 9 1 1 A 99 99 LEU CA C 96 55.691 53.831 1.860 1
1 1171 . 9 1 1 A 99 99 LEU CB C 96 42.272 43.607 -1.335 1
1 1175 . 9 1 1 A 99 99 LEU N N 96 117.774 117.458 0.316 1
1 1176 . 9 1 1 A 100 100 TRP H H 97 9.750 9.401 0.349 1
1 1177 . 9 1 1 A 100 100 TRP HA H 97 4.757 5.349 -0.592 1
1 1186 . 9 1 1 A 100 100 TRP C C 97 176.737 175.186 1.551 1
1 1187 . 9 1 1 A 100 100 TRP CA C 97 55.634 55.724 -0.090 1
1 1188 . 9 1 1 A 100 100 TRP CB C 97 31.794 32.378 -0.584 1
1 1194 . 9 1 1 A 100 100 TRP N N 97 120.649 120.180 0.469 1
1 1196 . 9 1 1 A 101 101 VAL H H 98 9.096 8.893 0.203 1
1 1197 . 9 1 1 A 101 101 VAL HA H 98 5.018 5.238 -0.220 1
1 1205 . 9 1 1 A 101 101 VAL C C 98 175.816 175.192 0.624 1
1 1206 . 9 1 1 A 101 101 VAL CA C 98 61.998 61.431 0.567 1
1 1207 . 9 1 1 A 101 101 VAL CB C 98 34.180 33.492 0.688 1
1 1210 . 9 1 1 A 101 101 VAL N N 98 117.960 123.177 -5.217 1
1 1211 . 9 1 1 A 102 102 VAL H H 99 9.113 9.215 -0.102 1
1 1212 . 9 1 1 A 102 102 VAL HA H 99 4.546 4.891 -0.345 1
1 1220 . 9 1 1 A 102 102 VAL C C 99 173.388 174.842 -1.454 1
1 1221 . 9 1 1 A 102 102 VAL CA C 99 60.987 61.109 -0.122 1
1 1222 . 9 1 1 A 102 102 VAL CB C 99 34.654 35.020 -0.366 1
1 1225 . 9 1 1 A 102 102 VAL N N 99 129.775 127.518 2.257 1
1 1226 . 9 1 1 A 103 103 GLU H H 100 9.226 8.759 0.467 1
1 1227 . 9 1 1 A 103 103 GLU HA H 100 5.376 5.013 0.363 1
1 1232 . 9 1 1 A 103 103 GLU C C 100 175.058 175.969 -0.911 1
1 1233 . 9 1 1 A 103 103 GLU CA C 100 54.158 55.464 -1.306 1
1 1234 . 9 1 1 A 103 103 GLU CB C 100 31.835 30.636 1.199 1
1 1236 . 9 1 1 A 103 103 GLU N N 100 128.249 126.130 2.119 1
1 1237 . 9 1 1 A 104 104 ILE H H 101 9.141 9.172 -0.031 1
1 1238 . 9 1 1 A 104 104 ILE HA H 101 5.021 5.182 -0.161 1
1 1248 . 9 1 1 A 104 104 ILE C C 101 173.727 174.123 -0.396 1
1 1249 . 9 1 1 A 104 104 ILE CA C 101 59.226 59.124 0.102 1
1 1250 . 9 1 1 A 104 104 ILE CB C 101 42.192 41.249 0.943 1
1 1254 . 9 1 1 A 104 104 ILE N N 101 118.638 120.928 -2.290 1
1 1255 . 9 1 1 A 105 105 GLU H H 102 9.018 9.204 -0.186 1
1 1256 . 9 1 1 A 105 105 GLU HA H 102 4.800 5.116 -0.316 1
1 1261 . 9 1 1 A 105 105 GLU C C 102 174.832 175.337 -0.505 1
1 1262 . 9 1 1 A 105 105 GLU CA C 102 55.362 54.923 0.439 1
1 1263 . 9 1 1 A 105 105 GLU CB C 102 31.160 31.854 -0.694 1
1 1265 . 9 1 1 A 105 105 GLU N N 102 125.842 123.926 1.916 1
1 1266 . 9 1 1 A 106 106 THR H H 103 7.678 8.296 -0.618 1
1 1267 . 9 1 1 A 106 106 THR HA H 103 4.424 4.902 -0.478 1
1 1272 . 9 1 1 A 106 106 THR C C 103 172.175 173.583 -1.408 1
1 1273 . 9 1 1 A 106 106 THR CA C 103 60.772 60.290 0.482 1
1 1274 . 9 1 1 A 106 106 THR CB C 103 67.599 70.146 -2.547 1
1 1276 . 9 1 1 A 106 106 THR N N 103 118.569 120.339 -1.770 1
1 1277 . 9 1 1 A 107 107 ASP H H 104 8.400 9.023 -0.623 1
1 1278 . 9 1 1 A 107 107 ASP HA H 104 4.635 4.518 0.117 1
1 1281 . 9 1 1 A 107 107 ASP C C 104 176.214 176.160 0.054 1
1 1282 . 9 1 1 A 107 107 ASP CA C 104 55.771 56.489 -0.718 1
1 1283 . 9 1 1 A 107 107 ASP CB C 104 41.463 41.451 0.012 1
1 1284 . 9 1 1 A 107 107 ASP N N 104 125.388 124.876 0.512 1
1 1285 . 9 1 1 A 108 108 GLU H H 105 7.995 7.668 0.327 1
1 1286 . 9 1 1 A 108 108 GLU HA H 105 4.524 4.848 -0.324 1
1 1291 . 9 1 1 A 108 108 GLU C C 105 175.340 176.229 -0.889 1
1 1292 . 9 1 1 A 108 108 GLU CA C 105 54.564 54.761 -0.197 1
1 1293 . 9 1 1 A 108 108 GLU CB C 105 30.953 32.745 -1.792 1
1 1295 . 9 1 1 A 108 108 GLU N N 105 120.222 113.706 6.516 1
1 1296 . 9 1 1 A 109 109 ILE H H 106 8.389 8.404 -0.015 1
1 1297 . 9 1 1 A 109 109 ILE HA H 106 3.853 4.170 -0.317 1
1 1307 . 9 1 1 A 109 109 ILE C C 106 176.324 177.866 -1.542 1
1 1308 . 9 1 1 A 109 109 ILE CA C 106 60.148 62.337 -2.189 1
1 1309 . 9 1 1 A 109 109 ILE CB C 106 38.950 39.559 -0.609 1
1 1313 . 9 1 1 A 109 109 ILE N N 106 124.088 122.539 1.549 1
1 1314 . 9 1 1 A 110 110 GLY H H 107 8.534 8.469 0.065 1
1 1315 . 9 1 1 A 110 110 GLY HA2 H 107 3.744 3.734 0.010 1
1 1316 . 9 1 1 A 110 110 GLY HA3 H 107 3.705 3.757 -0.052 1
1 1317 . 9 1 1 A 110 110 GLY C C 107 175.021 175.729 -0.708 1
1 1318 . 9 1 1 A 110 110 GLY CA C 107 46.530 47.232 -0.702 1
1 1319 . 9 1 1 A 110 110 GLY N N 107 109.224 109.391 -0.167 1
1 1320 . 9 1 1 A 111 111 THR H H 108 7.892 7.625 0.267 1
1 1321 . 9 1 1 A 111 111 THR HA H 108 4.255 4.179 0.076 1
1 1326 . 9 1 1 A 111 111 THR C C 108 175.417 175.296 0.121 1
1 1327 . 9 1 1 A 111 111 THR CA C 108 61.287 64.770 -3.483 1
1 1328 . 9 1 1 A 111 111 THR CB C 108 68.657 68.937 -0.280 1
1 1330 . 9 1 1 A 111 111 THR N N 108 111.278 116.673 -5.395 1
1 1331 . 9 1 1 A 112 112 LEU H H 109 7.950 7.319 0.631 1
1 1332 . 9 1 1 A 112 112 LEU HA H 109 3.887 4.614 -0.727 1
1 1342 . 9 1 1 A 112 112 LEU C C 109 175.715 175.928 -0.213 1
1 1343 . 9 1 1 A 112 112 LEU CA C 109 56.661 54.104 2.557 1
1 1344 . 9 1 1 A 112 112 LEU CB C 109 43.310 43.362 -0.052 1
1 1348 . 9 1 1 A 112 112 LEU N N 109 122.017 114.272 7.745 1
1 1349 . 9 1 1 A 113 113 LEU H H 110 7.003 7.100 -0.097 1
1 1350 . 9 1 1 A 113 113 LEU HA H 110 4.327 4.517 -0.190 1
1 1360 . 9 1 1 A 113 113 LEU C C 110 175.563 173.899 1.664 1
1 1361 . 9 1 1 A 113 113 LEU CA C 110 52.377 54.356 -1.979 1
1 1362 . 9 1 1 A 113 113 LEU CB C 110 44.890 45.348 -0.458 1
1 1366 . 9 1 1 A 113 113 LEU N N 110 113.184 119.966 -6.782 1
1 1367 . 9 1 1 A 114 114 THR H H 111 9.101 8.524 0.577 1
1 1368 . 9 1 1 A 114 114 THR HA H 111 4.079 4.991 -0.912 1
1 1373 . 9 1 1 A 114 114 THR C C 111 173.117 173.446 -0.329 1
1 1374 . 9 1 1 A 114 114 THR CA C 111 62.838 61.792 1.046 1
1 1375 . 9 1 1 A 114 114 THR CB C 111 68.245 70.415 -2.170 1
1 1377 . 9 1 1 A 114 114 THR N N 111 119.602 121.067 -1.465 1
1 1378 . 9 1 1 A 115 115 LEU H H 112 8.461 8.808 -0.347 1
1 1379 . 9 1 1 A 115 115 LEU HA H 112 4.985 5.238 -0.253 1
1 1389 . 9 1 1 A 115 115 LEU C C 112 178.488 176.918 1.570 1
1 1390 . 9 1 1 A 115 115 LEU CA C 112 52.953 53.281 -0.328 1
1 1391 . 9 1 1 A 115 115 LEU CB C 112 43.316 45.797 -2.481 1
1 1395 . 9 1 1 A 115 115 LEU N N 112 129.372 126.635 2.737 1
1 1396 . 9 1 1 A 116 116 VAL H H 113 8.550 8.503 0.047 1
1 1397 . 9 1 1 A 116 116 VAL HA H 113 4.141 4.248 -0.107 1
1 1405 . 9 1 1 A 116 116 VAL C C 113 175.638 176.495 -0.857 1
1 1406 . 9 1 1 A 116 116 VAL CA C 113 61.559 62.676 -1.117 1
1 1407 . 9 1 1 A 116 116 VAL CB C 113 32.128 32.419 -0.291 1
1 1410 . 9 1 1 A 116 116 VAL N N 113 117.300 119.668 -2.368 1
1 1411 . 9 1 1 A 117 117 ASP H H 114 8.095 8.168 -0.073 1
1 1412 . 9 1 1 A 117 117 ASP HA H 114 4.561 4.897 -0.336 1
1 1415 . 9 1 1 A 117 117 ASP C C 114 175.610 176.345 -0.735 1
1 1416 . 9 1 1 A 117 117 ASP CA C 114 53.586 55.681 -2.095 1
1 1417 . 9 1 1 A 117 117 ASP CB C 114 41.131 42.639 -1.508 1
1 1418 . 9 1 1 A 117 117 ASP N N 114 121.410 120.891 0.519 1
1 1419 . 9 1 1 A 118 118 GLN H H 115 8.048 7.839 0.209 1
1 1420 . 9 1 1 A 118 118 GLN HA H 115 4.539 4.503 0.036 1
1 1427 . 9 1 1 A 118 118 GLN CA C 115 53.464 54.511 -1.047 1
1 1428 . 9 1 1 A 118 118 GLN CB C 115 29.143 27.825 1.318 1
1 1430 . 9 1 1 A 118 118 GLN N N 115 120.387 118.967 1.420 1
1 1432 . 9 1 1 A 119 119 PRO HA H 116 4.314 4.418 -0.104 1
1 1439 . 9 1 1 A 119 119 PRO C C 116 176.819 176.022 0.797 1
1 1440 . 9 1 1 A 119 119 PRO CA C 116 63.073 63.477 -0.404 1
1 1441 . 9 1 1 A 119 119 PRO CB C 116 32.117 32.066 0.051 1
1 1444 . 9 1 1 A 120 120 GLN H H 117 8.404 8.462 -0.058 1
1 1445 . 9 1 1 A 120 120 GLN HA H 117 4.172 4.862 -0.690 1
1 1452 . 9 1 1 A 120 120 GLN C C 117 174.745 175.360 -0.615 1
1 1453 . 9 1 1 A 120 120 GLN CA C 117 55.531 54.127 1.404 1
1 1454 . 9 1 1 A 120 120 GLN CB C 117 29.529 31.891 -2.362 1
1 1456 . 9 1 1 A 120 120 GLN N N 117 121.403 122.758 -1.355 1
1 14 . 10 1 1 A 5 5 ARG H H 2 8.281 7.910 0.371 1
1 15 . 10 1 1 A 5 5 ARG HA H 2 4.126 4.066 0.060 1
1 22 . 10 1 1 A 5 5 ARG C C 2 176.387 175.498 0.889 1
1 23 . 10 1 1 A 5 5 ARG CA C 2 56.556 56.717 -0.161 1
1 24 . 10 1 1 A 5 5 ARG CB C 2 30.698 28.890 1.808 1
1 27 . 10 1 1 A 5 5 ARG N N 2 123.269 116.629 6.640 1
1 28 . 10 1 1 A 6 6 LEU H H 3 8.527 7.997 0.530 1
1 29 . 10 1 1 A 6 6 LEU HA H 3 4.414 5.019 -0.605 1
1 39 . 10 1 1 A 6 6 LEU C C 3 178.040 175.748 2.292 1
1 40 . 10 1 1 A 6 6 LEU CA C 3 54.270 52.890 1.380 1
1 41 . 10 1 1 A 6 6 LEU CB C 3 43.612 45.854 -2.242 1
1 45 . 10 1 1 A 6 6 LEU N N 3 125.588 117.757 7.831 1
1 46 . 10 1 1 A 7 7 LYS H H 4 8.646 8.435 0.211 1
1 47 . 10 1 1 A 7 7 LYS HA H 4 4.524 4.423 0.101 1
1 56 . 10 1 1 A 7 7 LYS C C 4 178.029 177.511 0.518 1
1 57 . 10 1 1 A 7 7 LYS CA C 4 57.051 55.975 1.076 1
1 58 . 10 1 1 A 7 7 LYS CB C 4 32.877 33.091 -0.214 1
1 62 . 10 1 1 A 7 7 LYS N N 4 123.765 117.494 6.271 1
1 63 . 10 1 1 A 8 8 SER H H 5 8.316 8.459 -0.143 1
1 64 . 10 1 1 A 8 8 SER HA H 5 3.720 4.009 -0.289 1
1 67 . 10 1 1 A 8 8 SER C C 5 174.858 176.270 -1.412 1
1 68 . 10 1 1 A 8 8 SER CA C 5 63.553 61.651 1.902 1
1 69 . 10 1 1 A 8 8 SER CB C 5 62.382 62.880 -0.498 1
1 70 . 10 1 1 A 8 8 SER N N 5 122.163 115.158 7.005 1
1 71 . 10 1 1 A 9 9 GLU H H 6 8.913 8.134 0.779 1
1 72 . 10 1 1 A 9 9 GLU HA H 6 3.401 3.131 0.270 1
1 77 . 10 1 1 A 9 9 GLU C C 6 177.494 178.172 -0.678 1
1 78 . 10 1 1 A 9 9 GLU CA C 6 59.824 58.560 1.264 1
1 79 . 10 1 1 A 9 9 GLU CB C 6 29.780 29.040 0.740 1
1 81 . 10 1 1 A 9 9 GLU N N 6 118.372 121.742 -3.370 1
1 82 . 10 1 1 A 10 10 MET H H 7 6.642 7.949 -1.307 1
1 83 . 10 1 1 A 10 10 MET HA H 7 4.200 4.166 0.034 1
1 91 . 10 1 1 A 10 10 MET C C 7 178.173 178.204 -0.031 1
1 92 . 10 1 1 A 10 10 MET CA C 7 57.360 58.001 -0.641 1
1 93 . 10 1 1 A 10 10 MET CB C 7 32.761 32.206 0.555 1
1 96 . 10 1 1 A 10 10 MET N N 7 117.318 119.061 -1.743 1
1 97 . 10 1 1 A 11 11 PHE H H 8 8.432 7.696 0.736 1
1 98 . 10 1 1 A 11 11 PHE HA H 8 3.718 4.117 -0.399 1
1 105 . 10 1 1 A 11 11 PHE C C 8 177.603 177.506 0.097 1
1 106 . 10 1 1 A 11 11 PHE CA C 8 61.845 61.281 0.564 1
1 107 . 10 1 1 A 11 11 PHE CB C 8 38.595 38.995 -0.400 1
1 112 . 10 1 1 A 11 11 PHE N N 8 122.099 121.059 1.040 1
1 113 . 10 1 1 A 12 12 VAL H H 9 8.133 7.857 0.276 1
1 114 . 10 1 1 A 12 12 VAL HA H 9 3.021 3.839 -0.818 1
1 122 . 10 1 1 A 12 12 VAL C C 9 176.668 177.995 -1.327 1
1 123 . 10 1 1 A 12 12 VAL CA C 9 67.353 65.388 1.965 1
1 124 . 10 1 1 A 12 12 VAL CB C 9 31.238 31.635 -0.397 1
1 127 . 10 1 1 A 12 12 VAL N N 9 119.317 119.291 0.026 1
1 128 . 10 1 1 A 13 13 SER H H 10 7.750 7.702 0.048 1
1 129 . 10 1 1 A 13 13 SER HA H 10 3.905 4.025 -0.120 1
1 132 . 10 1 1 A 13 13 SER C C 10 176.947 176.647 0.300 1
1 133 . 10 1 1 A 13 13 SER CA C 10 61.775 62.040 -0.265 1
1 134 . 10 1 1 A 13 13 SER CB C 10 62.483 62.775 -0.292 1
1 135 . 10 1 1 A 13 13 SER N N 10 114.115 117.139 -3.024 1
1 136 . 10 1 1 A 14 14 ALA H H 11 7.776 7.630 0.146 1
1 137 . 10 1 1 A 14 14 ALA HA H 11 3.860 4.064 -0.204 1
1 141 . 10 1 1 A 14 14 ALA C C 11 179.154 179.799 -0.645 1
1 142 . 10 1 1 A 14 14 ALA CA C 11 54.811 54.800 0.011 1
1 143 . 10 1 1 A 14 14 ALA CB C 11 17.641 18.046 -0.405 1
1 144 . 10 1 1 A 14 14 ALA N N 11 123.170 123.581 -0.411 1
1 145 . 10 1 1 A 15 15 LEU H H 12 7.732 8.001 -0.269 1
1 146 . 10 1 1 A 15 15 LEU HA H 12 3.636 3.875 -0.239 1
1 156 . 10 1 1 A 15 15 LEU C C 12 177.617 178.628 -1.011 1
1 157 . 10 1 1 A 15 15 LEU CA C 12 57.790 57.709 0.081 1
1 158 . 10 1 1 A 15 15 LEU CB C 12 41.352 41.264 0.088 1
1 162 . 10 1 1 A 15 15 LEU N N 12 121.171 118.948 2.223 1
1 163 . 10 1 1 A 16 16 ILE H H 13 8.037 7.975 0.062 1
1 164 . 10 1 1 A 16 16 ILE HA H 13 3.061 3.532 -0.471 1
1 174 . 10 1 1 A 16 16 ILE C C 13 177.708 177.977 -0.269 1
1 175 . 10 1 1 A 16 16 ILE CA C 13 65.872 65.245 0.627 1
1 176 . 10 1 1 A 16 16 ILE CB C 13 37.704 37.893 -0.189 1
1 180 . 10 1 1 A 16 16 ILE N N 13 117.849 120.102 -2.253 1
1 181 . 10 1 1 A 17 17 ARG H H 14 7.537 7.636 -0.099 1
1 182 . 10 1 1 A 17 17 ARG HA H 14 3.980 4.129 -0.149 1
1 189 . 10 1 1 A 17 17 ARG C C 14 179.876 178.902 0.974 1
1 190 . 10 1 1 A 17 17 ARG CA C 14 59.920 59.111 0.809 1
1 191 . 10 1 1 A 17 17 ARG CB C 14 29.995 29.762 0.233 1
1 194 . 10 1 1 A 17 17 ARG N N 14 117.366 120.197 -2.831 1
1 195 . 10 1 1 A 18 18 ARG H H 15 8.068 7.895 0.173 1
1 196 . 10 1 1 A 18 18 ARG HA H 15 3.868 3.982 -0.114 1
1 203 . 10 1 1 A 18 18 ARG C C 15 176.630 178.809 -2.179 1
1 204 . 10 1 1 A 18 18 ARG CA C 15 59.606 59.469 0.137 1
1 205 . 10 1 1 A 18 18 ARG CB C 15 30.327 30.571 -0.244 1
1 208 . 10 1 1 A 18 18 ARG N N 15 119.713 119.695 0.018 1
1 209 . 10 1 1 A 19 19 VAL H H 16 8.259 7.554 0.705 1
1 210 . 10 1 1 A 19 19 VAL HA H 16 3.296 3.741 -0.445 1
1 218 . 10 1 1 A 19 19 VAL C C 16 177.306 178.013 -0.707 1
1 219 . 10 1 1 A 19 19 VAL CA C 16 66.667 65.313 1.354 1
1 220 . 10 1 1 A 19 19 VAL CB C 16 30.421 31.341 -0.920 1
1 223 . 10 1 1 A 19 19 VAL N N 16 121.385 116.489 4.896 1
1 224 . 10 1 1 A 20 20 PHE H H 17 8.014 7.820 0.194 1
1 225 . 10 1 1 A 20 20 PHE HA H 17 4.222 4.117 0.105 1
1 233 . 10 1 1 A 20 20 PHE C C 17 180.973 177.919 3.054 1
1 234 . 10 1 1 A 20 20 PHE CA C 17 61.988 61.615 0.373 1
1 235 . 10 1 1 A 20 20 PHE CB C 17 38.553 37.728 0.825 1
1 241 . 10 1 1 A 20 20 PHE N N 17 118.811 120.875 -2.064 1
1 242 . 10 1 1 A 21 21 ALA H H 18 8.192 8.088 0.104 1
1 243 . 10 1 1 A 21 21 ALA HA H 18 4.096 4.089 0.007 1
1 247 . 10 1 1 A 21 21 ALA C C 18 178.425 179.972 -1.547 1
1 248 . 10 1 1 A 21 21 ALA CA C 18 54.716 54.836 -0.120 1
1 249 . 10 1 1 A 21 21 ALA CB C 18 17.752 18.007 -0.255 1
1 250 . 10 1 1 A 21 21 ALA N N 18 122.995 121.883 1.112 1
1 251 . 10 1 1 A 22 22 ALA H H 19 7.256 7.215 0.041 1
1 252 . 10 1 1 A 22 22 ALA HA H 19 4.356 4.342 0.014 1
1 256 . 10 1 1 A 22 22 ALA C C 19 177.665 177.638 0.027 1
1 257 . 10 1 1 A 22 22 ALA CA C 19 51.629 52.238 -0.609 1
1 258 . 10 1 1 A 22 22 ALA CB C 19 18.554 19.349 -0.795 1
1 259 . 10 1 1 A 22 22 ALA N N 19 118.872 117.568 1.304 1
1 260 . 10 1 1 A 23 23 GLY H H 20 7.774 7.873 -0.099 1
1 261 . 10 1 1 A 23 23 GLY HA2 H 20 4.207 3.937 0.270 1
1 262 . 10 1 1 A 23 23 GLY HA3 H 20 3.762 3.962 -0.200 1
1 263 . 10 1 1 A 23 23 GLY C C 20 174.779 174.717 0.062 1
1 264 . 10 1 1 A 23 23 GLY CA C 20 45.347 45.026 0.321 1
1 265 . 10 1 1 A 23 23 GLY N N 20 106.718 106.558 0.160 1
1 266 . 10 1 1 A 24 24 GLY H H 21 7.795 7.896 -0.101 1
1 267 . 10 1 1 A 24 24 GLY HA2 H 21 4.538 3.941 0.597 1
1 268 . 10 1 1 A 24 24 GLY HA3 H 21 3.306 3.984 -0.678 1
1 269 . 10 1 1 A 24 24 GLY C C 21 171.187 172.169 -0.982 1
1 270 . 10 1 1 A 24 24 GLY CA C 21 43.665 43.913 -0.248 1
1 271 . 10 1 1 A 24 24 GLY N N 21 108.369 108.137 0.232 1
1 272 . 10 1 1 A 25 25 PHE H H 22 7.340 8.576 -1.236 1
1 273 . 10 1 1 A 25 25 PHE HA H 22 3.784 4.379 -0.595 1
1 280 . 10 1 1 A 25 25 PHE C C 22 172.423 173.194 -0.771 1
1 281 . 10 1 1 A 25 25 PHE CA C 22 56.434 56.118 0.316 1
1 282 . 10 1 1 A 25 25 PHE CB C 22 42.819 42.896 -0.077 1
1 287 . 10 1 1 A 25 25 PHE N N 22 117.754 119.614 -1.860 1
1 288 . 10 1 1 A 26 26 ALA H H 23 5.579 7.628 -2.049 1
1 289 . 10 1 1 A 26 26 ALA HA H 23 4.943 5.186 -0.243 1
1 293 . 10 1 1 A 26 26 ALA C C 23 173.842 175.257 -1.415 1
1 294 . 10 1 1 A 26 26 ALA CA C 23 50.257 51.061 -0.804 1
1 295 . 10 1 1 A 26 26 ALA CB C 23 25.150 23.516 1.634 1
1 296 . 10 1 1 A 26 26 ALA N N 23 126.477 126.666 -0.189 1
1 297 . 10 1 1 A 27 27 ALA H H 24 8.723 7.992 0.731 1
1 298 . 10 1 1 A 27 27 ALA HA H 24 4.330 4.827 -0.497 1
1 302 . 10 1 1 A 27 27 ALA C C 24 175.543 176.074 -0.531 1
1 303 . 10 1 1 A 27 27 ALA CA C 24 51.545 51.792 -0.247 1
1 304 . 10 1 1 A 27 27 ALA CB C 24 22.974 22.844 0.130 1
1 305 . 10 1 1 A 27 27 ALA N N 24 118.178 119.666 -1.488 1
1 306 . 10 1 1 A 28 28 VAL H H 25 8.841 8.971 -0.130 1
1 307 . 10 1 1 A 28 28 VAL HA H 25 3.972 4.074 -0.102 1
1 315 . 10 1 1 A 28 28 VAL C C 25 175.547 175.316 0.231 1
1 316 . 10 1 1 A 28 28 VAL CA C 25 64.153 63.480 0.673 1
1 317 . 10 1 1 A 28 28 VAL CB C 25 31.951 31.177 0.774 1
1 320 . 10 1 1 A 28 28 VAL N N 25 120.857 123.879 -3.022 1
1 321 . 10 1 1 A 29 29 GLU H H 26 8.595 9.064 -0.469 1
1 322 . 10 1 1 A 29 29 GLU HA H 26 4.275 4.338 -0.063 1
1 327 . 10 1 1 A 29 29 GLU C C 26 176.177 176.321 -0.144 1
1 328 . 10 1 1 A 29 29 GLU CA C 26 57.686 58.531 -0.845 1
1 329 . 10 1 1 A 29 29 GLU CB C 26 30.521 30.305 0.216 1
1 331 . 10 1 1 A 29 29 GLU N N 26 132.091 128.133 3.958 1
1 332 . 10 1 1 A 30 30 LYS H H 27 8.163 7.473 0.690 1
1 333 . 10 1 1 A 30 30 LYS HA H 27 4.352 4.645 -0.293 1
1 342 . 10 1 1 A 30 30 LYS C C 27 174.232 175.113 -0.881 1
1 343 . 10 1 1 A 30 30 LYS CA C 27 55.370 55.568 -0.198 1
1 344 . 10 1 1 A 30 30 LYS CB C 27 36.138 33.896 2.242 1
1 348 . 10 1 1 A 30 30 LYS N N 27 119.899 119.040 0.859 1
1 349 . 10 1 1 A 31 31 LYS H H 28 8.603 8.547 0.056 1
1 350 . 10 1 1 A 31 31 LYS HA H 28 3.268 4.226 -0.958 1
1 359 . 10 1 1 A 31 31 LYS C C 28 175.170 174.763 0.407 1
1 360 . 10 1 1 A 31 31 LYS CA C 28 56.089 53.807 2.282 1
1 361 . 10 1 1 A 31 31 LYS CB C 28 32.386 35.605 -3.219 1
1 365 . 10 1 1 A 31 31 LYS N N 28 129.067 126.395 2.672 1
1 366 . 10 1 1 A 32 32 GLY H H 29 3.335 6.684 -3.349 1
1 367 . 10 1 1 A 32 32 GLY HA2 H 29 3.652 4.030 -0.378 1
1 368 . 10 1 1 A 32 32 GLY HA3 H 29 2.313 4.105 -1.792 1
1 369 . 10 1 1 A 32 32 GLY C C 29 172.863 172.835 0.028 1
1 370 . 10 1 1 A 32 32 GLY CA C 29 43.344 45.135 -1.791 1
1 371 . 10 1 1 A 32 32 GLY N N 29 113.639 111.004 2.635 1
1 372 . 10 1 1 A 33 33 ALA H H 30 8.202 8.052 0.150 1
1 373 . 10 1 1 A 33 33 ALA HA H 30 4.173 4.545 -0.372 1
1 377 . 10 1 1 A 33 33 ALA C C 30 181.026 178.466 2.560 1
1 378 . 10 1 1 A 33 33 ALA CA C 30 52.674 51.778 0.896 1
1 379 . 10 1 1 A 33 33 ALA CB C 30 19.020 19.768 -0.748 1
1 380 . 10 1 1 A 33 33 ALA N N 30 121.182 125.830 -4.648 1
1 381 . 10 1 1 A 34 34 GLU H H 31 9.313 9.220 0.093 1
1 382 . 10 1 1 A 34 34 GLU HA H 31 4.130 4.108 0.022 1
1 387 . 10 1 1 A 34 34 GLU C C 31 177.137 178.634 -1.497 1
1 388 . 10 1 1 A 34 34 GLU CA C 31 61.214 59.200 2.014 1
1 389 . 10 1 1 A 34 34 GLU CB C 31 29.947 29.649 0.298 1
1 391 . 10 1 1 A 34 34 GLU N N 31 126.206 122.313 3.893 1
1 392 . 10 1 1 A 35 35 ALA H H 32 8.614 8.115 0.499 1
1 393 . 10 1 1 A 35 35 ALA HA H 32 4.377 4.343 0.034 1
1 397 . 10 1 1 A 35 35 ALA C C 32 180.260 179.249 1.011 1
1 398 . 10 1 1 A 35 35 ALA CA C 32 55.118 54.301 0.817 1
1 399 . 10 1 1 A 35 35 ALA CB C 32 18.192 19.374 -1.182 1
1 400 . 10 1 1 A 35 35 ALA N N 32 119.251 121.479 -2.228 1
1 401 . 10 1 1 A 36 36 ALA H H 33 8.467 7.663 0.804 1
1 402 . 10 1 1 A 36 36 ALA HA H 33 4.612 4.360 0.252 1
1 406 . 10 1 1 A 36 36 ALA C C 33 177.468 178.105 -0.637 1
1 407 . 10 1 1 A 36 36 ALA CA C 33 51.190 52.302 -1.112 1
1 408 . 10 1 1 A 36 36 ALA CB C 33 19.451 19.386 0.065 1
1 409 . 10 1 1 A 36 36 ALA N N 33 120.927 118.080 2.847 1
1 410 . 10 1 1 A 37 37 GLY H H 34 7.445 8.048 -0.603 1
1 411 . 10 1 1 A 37 37 GLY HA2 H 34 4.143 4.151 -0.008 1
1 412 . 10 1 1 A 37 37 GLY HA3 H 34 4.010 4.215 -0.205 1
1 413 . 10 1 1 A 37 37 GLY C C 34 174.885 173.494 1.391 1
1 414 . 10 1 1 A 37 37 GLY CA C 34 46.790 45.530 1.260 1
1 415 . 10 1 1 A 37 37 GLY N N 34 105.715 106.797 -1.082 1
1 416 . 10 1 1 A 38 38 ALA H H 35 9.722 8.108 1.614 1
1 417 . 10 1 1 A 38 38 ALA HA H 35 4.053 4.382 -0.329 1
1 421 . 10 1 1 A 38 38 ALA CA C 35 52.676 52.054 0.622 1
1 422 . 10 1 1 A 38 38 ALA CB C 35 20.069 19.989 0.080 1
1 423 . 10 1 1 A 38 38 ALA N N 35 131.782 123.066 8.716 1
1 424 . 10 1 1 A 39 39 ILE H H 36 7.776 8.497 -0.721 1
1 425 . 10 1 1 A 39 39 ILE HA H 36 4.533 5.013 -0.480 1
1 435 . 10 1 1 A 39 39 ILE C C 36 172.754 174.701 -1.947 1
1 436 . 10 1 1 A 39 39 ILE CA C 36 61.429 60.596 0.833 1
1 437 . 10 1 1 A 39 39 ILE CB C 36 40.275 41.017 -0.742 1
1 441 . 10 1 1 A 39 39 ILE N N 36 119.692 120.840 -1.148 1
1 442 . 10 1 1 A 40 40 PHE H H 37 8.513 9.452 -0.939 1
1 443 . 10 1 1 A 40 40 PHE HA H 37 5.242 5.673 -0.431 1
1 448 . 10 1 1 A 40 40 PHE C C 37 175.559 174.366 1.193 1
1 449 . 10 1 1 A 40 40 PHE CA C 37 56.375 56.417 -0.042 1
1 450 . 10 1 1 A 40 40 PHE CB C 37 41.794 40.690 1.104 1
1 453 . 10 1 1 A 40 40 PHE N N 37 123.003 125.609 -2.606 1
1 454 . 10 1 1 A 41 41 VAL H H 38 8.898 9.083 -0.185 1
1 455 . 10 1 1 A 41 41 VAL HA H 38 4.981 5.000 -0.019 1
1 463 . 10 1 1 A 41 41 VAL C C 38 174.233 175.675 -1.442 1
1 464 . 10 1 1 A 41 41 VAL CA C 38 60.287 61.286 -0.999 1
1 465 . 10 1 1 A 41 41 VAL CB C 38 35.122 34.030 1.092 1
1 468 . 10 1 1 A 41 41 VAL N N 38 120.239 123.258 -3.019 1
1 469 . 10 1 1 A 42 42 ARG H H 39 9.399 8.941 0.458 1
1 470 . 10 1 1 A 42 42 ARG HA H 39 5.094 5.276 -0.182 1
1 478 . 10 1 1 A 42 42 ARG C C 39 173.198 174.834 -1.636 1
1 479 . 10 1 1 A 42 42 ARG CA C 39 54.067 55.058 -0.991 1
1 480 . 10 1 1 A 42 42 ARG CB C 39 33.430 32.535 0.895 1
1 483 . 10 1 1 A 42 42 ARG N N 39 129.107 124.600 4.507 1
1 485 . 10 1 1 A 43 43 GLN H H 40 9.402 8.463 0.939 1
1 486 . 10 1 1 A 43 43 GLN HA H 40 5.371 5.306 0.065 1
1 493 . 10 1 1 A 43 43 GLN C C 40 174.278 174.543 -0.265 1
1 494 . 10 1 1 A 43 43 GLN CA C 40 52.778 54.738 -1.960 1
1 495 . 10 1 1 A 43 43 GLN CB C 40 31.703 31.462 0.241 1
1 497 . 10 1 1 A 43 43 GLN N N 40 127.936 123.525 4.411 1
1 499 . 10 1 1 A 44 44 ARG H H 41 8.875 9.088 -0.213 1
1 500 . 10 1 1 A 44 44 ARG HA H 41 4.488 4.709 -0.221 1
1 507 . 10 1 1 A 44 44 ARG C C 41 175.417 174.892 0.525 1
1 508 . 10 1 1 A 44 44 ARG CA C 41 56.319 55.312 1.007 1
1 509 . 10 1 1 A 44 44 ARG CB C 41 31.231 31.414 -0.183 1
1 512 . 10 1 1 A 44 44 ARG N N 41 127.617 128.693 -1.076 1
1 513 . 10 1 1 A 45 45 LEU H H 42 8.494 8.775 -0.281 1
1 514 . 10 1 1 A 45 45 LEU HA H 42 4.480 4.495 -0.015 1
1 524 . 10 1 1 A 45 45 LEU C C 42 179.893 178.473 1.420 1
1 525 . 10 1 1 A 45 45 LEU CA C 42 53.972 54.795 -0.823 1
1 526 . 10 1 1 A 45 45 LEU CB C 42 42.206 42.173 0.033 1
1 530 . 10 1 1 A 45 45 LEU N N 42 125.380 128.419 -3.039 1
1 531 . 10 1 1 A 46 46 ARG H H 43 9.223 8.770 0.453 1
1 532 . 10 1 1 A 46 46 ARG HA H 43 3.929 4.071 -0.142 1
1 539 . 10 1 1 A 46 46 ARG C C 43 177.114 177.361 -0.247 1
1 540 . 10 1 1 A 46 46 ARG CA C 43 58.773 58.156 0.617 1
1 541 . 10 1 1 A 46 46 ARG CB C 43 29.688 29.851 -0.163 1
1 544 . 10 1 1 A 46 46 ARG N N 43 121.380 122.647 -1.267 1
1 545 . 10 1 1 A 47 47 ASP H H 44 7.727 7.966 -0.239 1
1 546 . 10 1 1 A 47 47 ASP HA H 44 4.373 4.577 -0.204 1
1 549 . 10 1 1 A 47 47 ASP C C 44 177.125 176.677 0.448 1
1 550 . 10 1 1 A 47 47 ASP CA C 44 53.256 54.211 -0.955 1
1 551 . 10 1 1 A 47 47 ASP CB C 44 39.993 40.989 -0.996 1
1 552 . 10 1 1 A 47 47 ASP N N 44 115.801 118.366 -2.565 1
1 553 . 10 1 1 A 48 48 GLY H H 45 7.878 8.263 -0.385 1
1 554 . 10 1 1 A 48 48 GLY HA2 H 45 4.237 3.858 0.379 1
1 555 . 10 1 1 A 48 48 GLY HA3 H 45 3.531 3.859 -0.328 1
1 556 . 10 1 1 A 48 48 GLY C C 45 175.041 173.672 1.369 1
1 557 . 10 1 1 A 48 48 GLY CA C 45 45.289 45.770 -0.481 1
1 558 . 10 1 1 A 48 48 GLY N N 45 108.005 109.218 -1.213 1
1 559 . 10 1 1 A 49 49 ARG H H 46 7.696 7.881 -0.185 1
1 560 . 10 1 1 A 49 49 ARG HA H 46 4.309 4.831 -0.522 1
1 567 . 10 1 1 A 49 49 ARG C C 46 174.199 175.002 -0.803 1
1 568 . 10 1 1 A 49 49 ARG CA C 46 55.909 54.102 1.807 1
1 569 . 10 1 1 A 49 49 ARG CB C 46 31.226 33.382 -2.156 1
1 572 . 10 1 1 A 49 49 ARG N N 46 120.601 119.628 0.973 1
1 573 . 10 1 1 A 50 50 GLU H H 47 8.885 8.802 0.083 1
1 574 . 10 1 1 A 50 50 GLU HA H 47 5.381 5.596 -0.215 1
1 579 . 10 1 1 A 50 50 GLU C C 47 175.590 175.031 0.559 1
1 580 . 10 1 1 A 50 50 GLU CA C 47 55.057 54.721 0.336 1
1 581 . 10 1 1 A 50 50 GLU CB C 47 35.650 34.048 1.602 1
1 583 . 10 1 1 A 50 50 GLU N N 47 116.439 119.151 -2.712 1
1 584 . 10 1 1 A 51 51 ASN H H 48 8.683 8.659 0.024 1
1 585 . 10 1 1 A 51 51 ASN HA H 48 5.153 5.451 -0.298 1
1 590 . 10 1 1 A 51 51 ASN C C 48 173.562 174.023 -0.461 1
1 591 . 10 1 1 A 51 51 ASN CA C 48 50.361 51.989 -1.628 1
1 592 . 10 1 1 A 51 51 ASN CB C 48 41.823 41.105 0.718 1
1 593 . 10 1 1 A 51 51 ASN N N 48 114.752 121.402 -6.650 1
1 595 . 10 1 1 A 52 52 LEU H H 49 8.847 8.473 0.374 1
1 596 . 10 1 1 A 52 52 LEU HA H 49 5.274 4.958 0.316 1
1 606 . 10 1 1 A 52 52 LEU C C 49 174.213 173.609 0.604 1
1 607 . 10 1 1 A 52 52 LEU CA C 49 52.889 54.029 -1.140 1
1 608 . 10 1 1 A 52 52 LEU CB C 49 46.300 46.044 0.256 1
1 612 . 10 1 1 A 52 52 LEU N N 49 120.365 121.894 -1.529 1
1 613 . 10 1 1 A 53 53 TYR H H 50 9.641 8.962 0.679 1
1 614 . 10 1 1 A 53 53 TYR HA H 50 5.519 5.778 -0.259 1
1 621 . 10 1 1 A 53 53 TYR C C 50 175.473 175.426 0.047 1
1 622 . 10 1 1 A 53 53 TYR CA C 50 55.928 55.646 0.282 1
1 623 . 10 1 1 A 53 53 TYR CB C 50 40.076 42.912 -2.836 1
1 628 . 10 1 1 A 53 53 TYR N N 50 127.507 124.477 3.030 1
1 629 . 10 1 1 A 54 54 GLY H H 51 8.893 8.615 0.278 1
1 630 . 10 1 1 A 54 54 GLY HA2 H 51 4.687 3.508 1.179 1
1 631 . 10 1 1 A 54 54 GLY HA3 H 51 3.127 3.797 -0.670 1
1 632 . 10 1 1 A 54 54 GLY CA C 51 44.040 44.266 -0.226 1
1 633 . 10 1 1 A 54 54 GLY N N 51 108.518 109.957 -1.439 1
1 634 . 10 1 1 A 55 55 PRO HA H 52 3.849 3.731 0.118 1
1 641 . 10 1 1 A 55 55 PRO C C 52 176.695 176.395 0.300 1
1 642 . 10 1 1 A 55 55 PRO CA C 52 63.187 62.239 0.948 1
1 643 . 10 1 1 A 55 55 PRO CB C 52 32.096 31.548 0.548 1
1 646 . 10 1 1 A 56 56 ALA H H 53 7.675 8.093 -0.418 1
1 647 . 10 1 1 A 56 56 ALA HA H 53 4.242 4.891 -0.649 1
1 651 . 10 1 1 A 56 56 ALA CA C 53 49.506 49.965 -0.459 1
1 652 . 10 1 1 A 56 56 ALA CB C 53 18.096 19.259 -1.163 1
1 653 . 10 1 1 A 56 56 ALA N N 53 126.695 123.471 3.224 1
1 654 . 10 1 1 A 57 57 PRO HA H 54 4.186 4.424 -0.238 1
1 661 . 10 1 1 A 57 57 PRO C C 54 179.368 176.505 2.863 1
1 662 . 10 1 1 A 57 57 PRO CA C 54 63.116 63.147 -0.031 1
1 663 . 10 1 1 A 57 57 PRO CB C 54 31.747 31.556 0.191 1
1 666 . 10 1 1 A 58 58 GLN H H 55 8.278 8.496 -0.218 1
1 667 . 10 1 1 A 58 58 GLN HA H 55 4.083 4.407 -0.324 1
1 674 . 10 1 1 A 58 58 GLN C C 55 175.368 175.508 -0.140 1
1 675 . 10 1 1 A 58 58 GLN CA C 55 55.635 55.856 -0.221 1
1 676 . 10 1 1 A 58 58 GLN CB C 55 29.927 29.325 0.602 1
1 678 . 10 1 1 A 58 58 GLN N N 55 121.313 122.815 -1.502 1
1 680 . 10 1 1 A 59 59 SER H H 56 8.182 8.784 -0.602 1
1 681 . 10 1 1 A 59 59 SER HA H 56 4.246 4.454 -0.208 1
1 684 . 10 1 1 A 59 59 SER C C 56 174.075 174.214 -0.139 1
1 685 . 10 1 1 A 59 59 SER CA C 56 57.667 57.998 -0.331 1
1 686 . 10 1 1 A 59 59 SER CB C 56 63.751 61.839 1.912 1
1 687 . 10 1 1 A 59 59 SER N N 56 117.615 123.536 -5.921 1
1 688 . 10 1 1 A 60 60 PHE H H 57 8.100 7.760 0.340 1
1 689 . 10 1 1 A 60 60 PHE HA H 57 4.493 5.026 -0.533 1
1 696 . 10 1 1 A 60 60 PHE C C 57 175.439 174.435 1.004 1
1 697 . 10 1 1 A 60 60 PHE CA C 57 57.622 55.515 2.107 1
1 698 . 10 1 1 A 60 60 PHE CB C 57 39.519 40.640 -1.121 1
1 703 . 10 1 1 A 60 60 PHE N N 57 121.890 123.598 -1.708 1
1 704 . 10 1 1 A 61 61 ALA H H 58 8.234 8.669 -0.435 1
1 705 . 10 1 1 A 61 61 ALA HA H 58 4.165 4.847 -0.682 1
1 709 . 10 1 1 A 61 61 ALA C C 58 179.286 177.234 2.052 1
1 710 . 10 1 1 A 61 61 ALA CA C 58 52.471 50.718 1.753 1
1 711 . 10 1 1 A 61 61 ALA CB C 58 19.444 20.450 -1.006 1
1 712 . 10 1 1 A 61 61 ALA N N 58 124.383 124.209 0.174 1
1 713 . 10 1 1 A 62 62 ASP H H 59 8.017 9.448 -1.431 1
1 714 . 10 1 1 A 62 62 ASP HA H 59 4.412 4.401 0.011 1
1 717 . 10 1 1 A 62 62 ASP C C 59 176.073 174.747 1.326 1
1 718 . 10 1 1 A 62 62 ASP CA C 59 54.360 55.195 -0.835 1
1 719 . 10 1 1 A 62 62 ASP CB C 59 41.213 39.852 1.361 1
1 720 . 10 1 1 A 62 62 ASP N N 59 118.579 124.897 -6.318 1
1 721 . 10 1 1 A 63 63 ASP H H 60 8.096 8.692 -0.596 1
1 722 . 10 1 1 A 63 63 ASP HA H 60 4.346 4.033 0.313 1
1 725 . 10 1 1 A 63 63 ASP C C 60 176.619 175.662 0.957 1
1 726 . 10 1 1 A 63 63 ASP CA C 60 54.714 55.540 -0.826 1
1 727 . 10 1 1 A 63 63 ASP CB C 60 40.801 38.891 1.910 1
1 728 . 10 1 1 A 63 63 ASP N N 60 119.530 111.220 8.310 1
1 729 . 10 1 1 A 64 64 GLU H H 61 8.109 7.956 0.153 1
1 730 . 10 1 1 A 64 64 GLU HA H 61 4.012 4.128 -0.116 1
1 735 . 10 1 1 A 64 64 GLU C C 61 176.652 178.890 -2.238 1
1 736 . 10 1 1 A 64 64 GLU CA C 61 57.301 59.218 -1.917 1
1 737 . 10 1 1 A 64 64 GLU CB C 61 30.107 30.102 0.005 1
1 739 . 10 1 1 A 64 64 GLU N N 61 120.050 118.446 1.604 1
1 740 . 10 1 1 A 65 65 ASP H H 62 8.062 8.381 -0.319 1
1 741 . 10 1 1 A 65 65 ASP HA H 62 4.369 4.412 -0.043 1
1 744 . 10 1 1 A 65 65 ASP C C 62 177.458 178.364 -0.906 1
1 745 . 10 1 1 A 65 65 ASP CA C 62 54.645 56.349 -1.704 1
1 746 . 10 1 1 A 65 65 ASP CB C 62 40.896 40.555 0.341 1
1 747 . 10 1 1 A 65 65 ASP N N 62 120.211 119.766 0.445 1
1 748 . 10 1 1 A 66 66 ILE H H 63 7.805 7.570 0.235 1
1 749 . 10 1 1 A 66 66 ILE HA H 63 3.708 4.078 -0.370 1
1 759 . 10 1 1 A 66 66 ILE C C 63 176.802 177.296 -0.494 1
1 760 . 10 1 1 A 66 66 ILE CA C 63 62.754 64.567 -1.813 1
1 761 . 10 1 1 A 66 66 ILE CB C 63 38.230 38.042 0.188 1
1 765 . 10 1 1 A 66 66 ILE N N 63 121.259 120.127 1.132 1
1 766 . 10 1 1 A 67 67 MET H H 64 7.950 7.689 0.261 1
1 767 . 10 1 1 A 67 67 MET HA H 64 4.229 4.701 -0.472 1
1 775 . 10 1 1 A 67 67 MET C C 64 176.724 177.403 -0.679 1
1 776 . 10 1 1 A 67 67 MET CA C 64 55.944 54.989 0.955 1
1 777 . 10 1 1 A 67 67 MET CB C 64 31.826 34.637 -2.811 1
1 780 . 10 1 1 A 67 67 MET N N 64 118.533 116.128 2.405 1
1 781 . 10 1 1 A 68 68 ARG H H 65 7.604 8.093 -0.489 1
1 782 . 10 1 1 A 68 68 ARG HA H 65 4.197 4.441 -0.244 1
1 789 . 10 1 1 A 68 68 ARG C C 65 175.530 175.536 -0.006 1
1 790 . 10 1 1 A 68 68 ARG CA C 65 56.028 56.175 -0.147 1
1 791 . 10 1 1 A 68 68 ARG CB C 65 30.760 31.085 -0.325 1
1 794 . 10 1 1 A 68 68 ARG N N 65 118.706 117.529 1.177 1
1 795 . 10 1 1 A 69 69 ALA H H 66 7.634 7.347 0.287 1
1 796 . 10 1 1 A 69 69 ALA HA H 66 4.254 4.799 -0.545 1
1 800 . 10 1 1 A 69 69 ALA C C 66 176.846 175.916 0.930 1
1 801 . 10 1 1 A 69 69 ALA CA C 66 51.905 51.133 0.772 1
1 802 . 10 1 1 A 69 69 ALA CB C 66 20.023 23.371 -3.348 1
1 803 . 10 1 1 A 69 69 ALA N N 66 123.528 120.115 3.413 1
1 804 . 10 1 1 A 70 70 GLU H H 67 8.192 8.458 -0.266 1
1 805 . 10 1 1 A 70 70 GLU HA H 67 4.228 4.477 -0.249 1
1 810 . 10 1 1 A 70 70 GLU C C 67 176.333 176.300 0.033 1
1 811 . 10 1 1 A 70 70 GLU CA C 67 55.928 55.996 -0.068 1
1 812 . 10 1 1 A 70 70 GLU CB C 67 30.769 30.731 0.038 1
1 814 . 10 1 1 A 70 70 GLU N N 67 120.599 119.234 1.365 1
1 815 . 10 1 1 A 71 71 ARG H H 68 8.674 8.391 0.283 1
1 816 . 10 1 1 A 71 71 ARG HA H 68 3.696 4.229 -0.533 1
1 823 . 10 1 1 A 71 71 ARG C C 68 175.422 175.314 0.108 1
1 824 . 10 1 1 A 71 71 ARG CA C 68 56.964 56.274 0.690 1
1 825 . 10 1 1 A 71 71 ARG CB C 68 30.886 30.274 0.612 1
1 828 . 10 1 1 A 71 71 ARG N N 68 123.533 120.655 2.878 1
1 829 . 10 1 1 A 72 72 ARG H H 69 7.660 8.676 -1.016 1
1 830 . 10 1 1 A 72 72 ARG HA H 69 4.642 4.683 -0.041 1
1 837 . 10 1 1 A 72 72 ARG C C 69 175.051 175.828 -0.777 1
1 838 . 10 1 1 A 72 72 ARG CA C 69 54.297 55.998 -1.701 1
1 839 . 10 1 1 A 72 72 ARG CB C 69 33.555 31.474 2.081 1
1 842 . 10 1 1 A 72 72 ARG N N 69 120.057 125.615 -5.558 1
1 843 . 10 1 1 A 73 73 PHE H H 70 8.714 8.721 -0.007 1
1 844 . 10 1 1 A 73 73 PHE HA H 70 5.020 5.016 0.004 1
1 852 . 10 1 1 A 73 73 PHE C C 70 173.159 174.850 -1.691 1
1 853 . 10 1 1 A 73 73 PHE CA C 70 57.359 57.171 0.188 1
1 854 . 10 1 1 A 73 73 PHE CB C 70 43.426 42.376 1.050 1
1 860 . 10 1 1 A 73 73 PHE N N 70 119.519 123.784 -4.265 1
1 861 . 10 1 1 A 74 74 GLU H H 71 9.404 9.162 0.242 1
1 862 . 10 1 1 A 74 74 GLU HA H 71 4.996 5.058 -0.062 1
1 867 . 10 1 1 A 74 74 GLU C C 71 175.559 174.928 0.631 1
1 868 . 10 1 1 A 74 74 GLU CA C 71 52.975 54.616 -1.641 1
1 869 . 10 1 1 A 74 74 GLU CB C 71 33.399 33.518 -0.119 1
1 871 . 10 1 1 A 74 74 GLU N N 71 117.679 117.970 -0.291 1
1 872 . 10 1 1 A 75 75 THR H H 72 9.801 9.014 0.787 1
1 873 . 10 1 1 A 75 75 THR HA H 72 4.108 4.819 -0.711 1
1 878 . 10 1 1 A 75 75 THR C C 72 175.065 173.932 1.133 1
1 879 . 10 1 1 A 75 75 THR CA C 72 64.296 62.607 1.689 1
1 880 . 10 1 1 A 75 75 THR CB C 72 67.635 68.712 -1.077 1
1 882 . 10 1 1 A 75 75 THR N N 72 122.320 117.872 4.448 1
1 883 . 10 1 1 A 76 76 ARG H H 73 9.150 8.966 0.184 1
1 884 . 10 1 1 A 76 76 ARG HA H 73 4.283 4.270 0.013 1
1 892 . 10 1 1 A 76 76 ARG C C 73 176.574 176.769 -0.195 1
1 893 . 10 1 1 A 76 76 ARG CA C 73 55.858 58.340 -2.482 1
1 894 . 10 1 1 A 76 76 ARG CB C 73 30.930 31.025 -0.095 1
1 897 . 10 1 1 A 76 76 ARG N N 73 127.709 128.217 -0.508 1
1 899 . 10 1 1 A 77 77 LEU H H 74 7.520 7.361 0.159 1
1 900 . 10 1 1 A 77 77 LEU HA H 74 4.480 4.933 -0.453 1
1 910 . 10 1 1 A 77 77 LEU C C 74 174.509 175.390 -0.881 1
1 911 . 10 1 1 A 77 77 LEU CA C 74 54.222 53.157 1.065 1
1 912 . 10 1 1 A 77 77 LEU CB C 74 47.315 45.911 1.404 1
1 916 . 10 1 1 A 77 77 LEU N N 74 117.021 118.295 -1.274 1
1 917 . 10 1 1 A 78 78 ALA H H 75 8.600 8.444 0.156 1
1 918 . 10 1 1 A 78 78 ALA HA H 75 4.999 4.611 0.388 1
1 922 . 10 1 1 A 78 78 ALA C C 75 176.343 177.395 -1.052 1
1 923 . 10 1 1 A 78 78 ALA CA C 75 50.324 51.521 -1.197 1
1 924 . 10 1 1 A 78 78 ALA CB C 75 21.074 21.511 -0.437 1
1 925 . 10 1 1 A 78 78 ALA N N 75 124.663 123.132 1.531 1
1 926 . 10 1 1 A 79 79 GLY H H 76 8.730 8.709 0.021 1
1 927 . 10 1 1 A 79 79 GLY HA2 H 76 3.706 3.840 -0.134 1
1 928 . 10 1 1 A 79 79 GLY HA3 H 76 3.306 3.841 -0.535 1
1 929 . 10 1 1 A 79 79 GLY C C 76 175.173 174.153 1.020 1
1 930 . 10 1 1 A 79 79 GLY CA C 76 47.520 46.636 0.884 1
1 931 . 10 1 1 A 79 79 GLY N N 76 114.411 111.675 2.736 1
1 932 . 10 1 1 A 80 80 VAL H H 77 8.380 7.710 0.670 1
1 933 . 10 1 1 A 80 80 VAL HA H 77 4.643 4.530 0.113 1
1 941 . 10 1 1 A 80 80 VAL C C 77 175.208 175.020 0.188 1
1 942 . 10 1 1 A 80 80 VAL CA C 77 59.289 60.066 -0.777 1
1 943 . 10 1 1 A 80 80 VAL CB C 77 34.226 33.851 0.375 1
1 946 . 10 1 1 A 80 80 VAL N N 77 112.611 116.932 -4.321 1
1 947 . 10 1 1 A 81 81 GLU H H 78 8.415 8.362 0.053 1
1 948 . 10 1 1 A 81 81 GLU HA H 78 4.451 4.642 -0.191 1
1 953 . 10 1 1 A 81 81 GLU C C 78 178.955 178.232 0.723 1
1 954 . 10 1 1 A 81 81 GLU CA C 78 55.631 54.532 1.099 1
1 955 . 10 1 1 A 81 81 GLU CB C 78 30.535 30.906 -0.371 1
1 957 . 10 1 1 A 81 81 GLU N N 78 117.186 119.638 -2.452 1
1 958 . 10 1 1 A 82 82 GLY H H 79 8.834 8.833 0.001 1
1 959 . 10 1 1 A 82 82 GLY HA2 H 79 3.810 3.845 -0.035 1
1 960 . 10 1 1 A 82 82 GLY HA3 H 79 3.518 3.847 -0.329 1
1 961 . 10 1 1 A 82 82 GLY C C 79 176.446 175.655 0.791 1
1 962 . 10 1 1 A 82 82 GLY CA C 79 47.629 47.150 0.479 1
1 963 . 10 1 1 A 82 82 GLY N N 79 109.312 108.016 1.296 1
1 964 . 10 1 1 A 83 83 GLU H H 80 8.747 8.237 0.510 1
1 965 . 10 1 1 A 83 83 GLU HA H 80 3.972 4.023 -0.051 1
1 970 . 10 1 1 A 83 83 GLU C C 80 179.046 179.382 -0.336 1
1 971 . 10 1 1 A 83 83 GLU CA C 80 59.403 59.420 -0.017 1
1 972 . 10 1 1 A 83 83 GLU CB C 80 29.005 29.364 -0.359 1
1 974 . 10 1 1 A 83 83 GLU N N 80 119.416 121.727 -2.311 1
1 975 . 10 1 1 A 84 84 GLU H H 81 7.588 7.650 -0.062 1
1 976 . 10 1 1 A 84 84 GLU HA H 81 4.003 4.095 -0.092 1
1 981 . 10 1 1 A 84 84 GLU C C 81 179.682 179.466 0.216 1
1 982 . 10 1 1 A 84 84 GLU CA C 81 59.213 59.370 -0.157 1
1 983 . 10 1 1 A 84 84 GLU CB C 81 29.473 29.770 -0.297 1
1 985 . 10 1 1 A 84 84 GLU N N 81 120.110 119.302 0.808 1
1 986 . 10 1 1 A 85 85 ILE H H 82 6.936 7.851 -0.915 1
1 987 . 10 1 1 A 85 85 ILE HA H 82 3.356 3.611 -0.255 1
1 997 . 10 1 1 A 85 85 ILE C C 82 177.308 177.823 -0.515 1
1 998 . 10 1 1 A 85 85 ILE CA C 82 64.055 65.785 -1.730 1
1 999 . 10 1 1 A 85 85 ILE CB C 82 36.836 37.782 -0.946 1
1 1003 . 10 1 1 A 85 85 ILE N N 82 120.268 121.413 -1.145 1
1 1004 . 10 1 1 A 86 86 ALA H H 83 8.292 8.412 -0.120 1
1 1005 . 10 1 1 A 86 86 ALA HA H 83 3.787 4.010 -0.223 1
1 1009 . 10 1 1 A 86 86 ALA C C 83 180.345 179.824 0.521 1
1 1010 . 10 1 1 A 86 86 ALA CA C 83 55.103 55.212 -0.109 1
1 1011 . 10 1 1 A 86 86 ALA CB C 83 17.928 18.145 -0.217 1
1 1012 . 10 1 1 A 86 86 ALA N N 83 121.052 121.683 -0.631 1
1 1013 . 10 1 1 A 87 87 ALA H H 84 7.516 7.719 -0.203 1
1 1014 . 10 1 1 A 87 87 ALA HA H 84 4.006 4.089 -0.083 1
1 1018 . 10 1 1 A 87 87 ALA C C 84 180.272 179.297 0.975 1
1 1019 . 10 1 1 A 87 87 ALA CA C 84 54.765 55.050 -0.285 1
1 1020 . 10 1 1 A 87 87 ALA CB C 84 17.949 18.264 -0.315 1
1 1021 . 10 1 1 A 87 87 ALA N N 84 119.052 120.347 -1.295 1
1 1022 . 10 1 1 A 88 88 LEU H H 85 7.285 7.646 -0.361 1
1 1023 . 10 1 1 A 88 88 LEU HA H 85 4.042 4.145 -0.103 1
1 1033 . 10 1 1 A 88 88 LEU C C 85 174.921 178.700 -3.779 1
1 1034 . 10 1 1 A 88 88 LEU CA C 85 58.290 57.203 1.087 1
1 1035 . 10 1 1 A 88 88 LEU CB C 85 41.610 42.305 -0.695 1
1 1039 . 10 1 1 A 88 88 LEU N N 85 121.211 119.434 1.777 1
1 1040 . 10 1 1 A 89 89 LEU H H 86 8.472 8.255 0.217 1
1 1041 . 10 1 1 A 89 89 LEU HA H 86 3.486 3.800 -0.314 1
1 1051 . 10 1 1 A 89 89 LEU C C 86 178.855 179.422 -0.567 1
1 1052 . 10 1 1 A 89 89 LEU CA C 86 57.476 57.118 0.358 1
1 1053 . 10 1 1 A 89 89 LEU CB C 86 41.478 40.979 0.499 1
1 1057 . 10 1 1 A 89 89 LEU N N 86 118.740 118.278 0.462 1
1 1058 . 10 1 1 A 90 90 GLU H H 87 7.926 8.174 -0.248 1
1 1059 . 10 1 1 A 90 90 GLU HA H 87 3.726 3.952 -0.226 1
1 1064 . 10 1 1 A 90 90 GLU C C 87 178.738 178.966 -0.228 1
1 1065 . 10 1 1 A 90 90 GLU CA C 87 59.511 59.471 0.040 1
1 1066 . 10 1 1 A 90 90 GLU CB C 87 28.855 29.096 -0.241 1
1 1068 . 10 1 1 A 90 90 GLU N N 87 119.669 120.485 -0.816 1
1 1069 . 10 1 1 A 91 91 ARG H H 88 7.069 7.778 -0.709 1
1 1070 . 10 1 1 A 91 91 ARG HA H 88 3.762 4.178 -0.416 1
1 1077 . 10 1 1 A 91 91 ARG C C 88 178.920 179.225 -0.305 1
1 1078 . 10 1 1 A 91 91 ARG CA C 88 59.544 59.486 0.058 1
1 1079 . 10 1 1 A 91 91 ARG CB C 88 29.723 30.263 -0.540 1
1 1082 . 10 1 1 A 91 91 ARG N N 88 119.088 119.263 -0.175 1
1 1083 . 10 1 1 A 92 92 GLU H H 89 8.170 8.189 -0.019 1
1 1084 . 10 1 1 A 92 92 GLU HA H 89 4.021 4.107 -0.086 1
1 1089 . 10 1 1 A 92 92 GLU C C 89 180.250 179.717 0.533 1
1 1090 . 10 1 1 A 92 92 GLU CA C 89 58.661 58.578 0.083 1
1 1091 . 10 1 1 A 92 92 GLU CB C 89 28.073 28.818 -0.745 1
1 1093 . 10 1 1 A 92 92 GLU N N 89 117.768 119.790 -2.022 1
1 1094 . 10 1 1 A 93 93 ARG H H 90 8.355 7.942 0.413 1
1 1095 . 10 1 1 A 93 93 ARG HA H 90 4.003 4.305 -0.302 1
1 1102 . 10 1 1 A 93 93 ARG C C 90 177.592 178.657 -1.065 1
1 1103 . 10 1 1 A 93 93 ARG CA C 90 57.744 58.955 -1.211 1
1 1104 . 10 1 1 A 93 93 ARG CB C 90 30.325 29.705 0.620 1
1 1107 . 10 1 1 A 93 93 ARG N N 90 119.179 119.026 0.153 1
1 1108 . 10 1 1 A 94 94 ARG H H 91 7.232 7.714 -0.482 1
1 1109 . 10 1 1 A 94 94 ARG HA H 91 3.788 3.952 -0.164 1
1 1116 . 10 1 1 A 94 94 ARG C C 91 177.986 178.947 -0.961 1
1 1117 . 10 1 1 A 94 94 ARG CA C 91 58.462 59.001 -0.539 1
1 1118 . 10 1 1 A 94 94 ARG CB C 91 29.565 29.711 -0.146 1
1 1121 . 10 1 1 A 94 94 ARG N N 91 118.441 119.861 -1.420 1
1 1122 . 10 1 1 A 95 95 PHE H H 92 7.048 7.683 -0.635 1
1 1123 . 10 1 1 A 95 95 PHE HA H 92 4.474 4.282 0.192 1
1 1128 . 10 1 1 A 95 95 PHE C C 92 175.728 175.420 0.308 1
1 1129 . 10 1 1 A 95 95 PHE CA C 92 58.210 59.840 -1.630 1
1 1130 . 10 1 1 A 95 95 PHE CB C 92 39.724 39.399 0.325 1
1 1133 . 10 1 1 A 95 95 PHE N N 92 115.951 117.163 -1.212 1
1 1134 . 10 1 1 A 96 96 ASP H H 93 7.793 8.202 -0.409 1
1 1135 . 10 1 1 A 96 96 ASP HA H 93 4.703 4.979 -0.276 1
1 1138 . 10 1 1 A 96 96 ASP C C 93 179.474 175.810 3.664 1
1 1139 . 10 1 1 A 96 96 ASP CA C 93 53.103 53.335 -0.232 1
1 1140 . 10 1 1 A 96 96 ASP CB C 93 41.634 42.253 -0.619 1
1 1141 . 10 1 1 A 96 96 ASP N N 93 119.328 118.328 1.000 1
1 1142 . 10 1 1 A 97 97 SER H H 94 8.490 8.967 -0.477 1
1 1143 . 10 1 1 A 97 97 SER HA H 94 4.204 4.452 -0.248 1
1 1146 . 10 1 1 A 97 97 SER C C 94 175.549 174.628 0.921 1
1 1147 . 10 1 1 A 97 97 SER CA C 94 60.047 59.544 0.503 1
1 1148 . 10 1 1 A 97 97 SER CB C 94 63.408 62.987 0.421 1
1 1149 . 10 1 1 A 97 97 SER N N 94 118.740 120.750 -2.010 1
1 1150 . 10 1 1 A 98 98 ASP H H 95 8.229 8.119 0.110 1
1 1151 . 10 1 1 A 98 98 ASP HA H 95 4.684 4.577 0.107 1
1 1154 . 10 1 1 A 98 98 ASP C C 95 175.547 176.404 -0.857 1
1 1155 . 10 1 1 A 98 98 ASP CA C 95 54.380 53.816 0.564 1
1 1156 . 10 1 1 A 98 98 ASP CB C 95 42.267 39.639 2.628 1
1 1157 . 10 1 1 A 98 98 ASP N N 95 121.306 117.394 3.912 1
1 1158 . 10 1 1 A 99 99 LEU H H 96 6.613 7.425 -0.812 1
1 1159 . 10 1 1 A 99 99 LEU HA H 96 4.801 5.238 -0.437 1
1 1169 . 10 1 1 A 99 99 LEU C C 96 176.224 176.381 -0.157 1
1 1170 . 10 1 1 A 99 99 LEU CA C 96 55.691 54.247 1.444 1
1 1171 . 10 1 1 A 99 99 LEU CB C 96 42.272 43.436 -1.164 1
1 1175 . 10 1 1 A 99 99 LEU N N 96 117.774 116.882 0.892 1
1 1176 . 10 1 1 A 100 100 TRP H H 97 9.750 9.371 0.379 1
1 1177 . 10 1 1 A 100 100 TRP HA H 97 4.757 5.529 -0.772 1
1 1186 . 10 1 1 A 100 100 TRP C C 97 176.737 175.480 1.257 1
1 1187 . 10 1 1 A 100 100 TRP CA C 97 55.634 55.387 0.247 1
1 1188 . 10 1 1 A 100 100 TRP CB C 97 31.794 31.501 0.293 1
1 1194 . 10 1 1 A 100 100 TRP N N 97 120.649 120.945 -0.296 1
1 1196 . 10 1 1 A 101 101 VAL H H 98 9.096 8.840 0.256 1
1 1197 . 10 1 1 A 101 101 VAL HA H 98 5.018 5.220 -0.202 1
1 1205 . 10 1 1 A 101 101 VAL C C 98 175.816 175.194 0.622 1
1 1206 . 10 1 1 A 101 101 VAL CA C 98 61.998 62.212 -0.214 1
1 1207 . 10 1 1 A 101 101 VAL CB C 98 34.180 33.083 1.097 1
1 1210 . 10 1 1 A 101 101 VAL N N 98 117.960 123.797 -5.837 1
1 1211 . 10 1 1 A 102 102 VAL H H 99 9.113 8.955 0.158 1
1 1212 . 10 1 1 A 102 102 VAL HA H 99 4.546 4.898 -0.352 1
1 1220 . 10 1 1 A 102 102 VAL C C 99 173.388 174.722 -1.334 1
1 1221 . 10 1 1 A 102 102 VAL CA C 99 60.987 61.281 -0.294 1
1 1222 . 10 1 1 A 102 102 VAL CB C 99 34.654 34.301 0.353 1
1 1225 . 10 1 1 A 102 102 VAL N N 99 129.775 128.653 1.122 1
1 1226 . 10 1 1 A 103 103 GLU H H 100 9.226 8.648 0.578 1
1 1227 . 10 1 1 A 103 103 GLU HA H 100 5.376 4.757 0.619 1
1 1232 . 10 1 1 A 103 103 GLU C C 100 175.058 176.107 -1.049 1
1 1233 . 10 1 1 A 103 103 GLU CA C 100 54.158 55.761 -1.603 1
1 1234 . 10 1 1 A 103 103 GLU CB C 100 31.835 30.180 1.655 1
1 1236 . 10 1 1 A 103 103 GLU N N 100 128.249 126.521 1.728 1
1 1237 . 10 1 1 A 104 104 ILE H H 101 9.141 8.938 0.203 1
1 1238 . 10 1 1 A 104 104 ILE HA H 101 5.021 5.125 -0.104 1
1 1248 . 10 1 1 A 104 104 ILE C C 101 173.727 174.401 -0.674 1
1 1249 . 10 1 1 A 104 104 ILE CA C 101 59.226 59.536 -0.310 1
1 1250 . 10 1 1 A 104 104 ILE CB C 101 42.192 39.703 2.489 1
1 1254 . 10 1 1 A 104 104 ILE N N 101 118.638 121.334 -2.696 1
1 1255 . 10 1 1 A 105 105 GLU H H 102 9.018 9.079 -0.061 1
1 1256 . 10 1 1 A 105 105 GLU HA H 102 4.800 5.074 -0.274 1
1 1261 . 10 1 1 A 105 105 GLU C C 102 174.832 175.436 -0.604 1
1 1262 . 10 1 1 A 105 105 GLU CA C 102 55.362 54.935 0.427 1
1 1263 . 10 1 1 A 105 105 GLU CB C 102 31.160 31.702 -0.542 1
1 1265 . 10 1 1 A 105 105 GLU N N 102 125.842 124.034 1.808 1
1 1266 . 10 1 1 A 106 106 THR H H 103 7.678 8.037 -0.359 1
1 1267 . 10 1 1 A 106 106 THR HA H 103 4.424 4.903 -0.479 1
1 1272 . 10 1 1 A 106 106 THR C C 103 172.175 173.549 -1.374 1
1 1273 . 10 1 1 A 106 106 THR CA C 103 60.772 60.387 0.385 1
1 1274 . 10 1 1 A 106 106 THR CB C 103 67.599 69.950 -2.351 1
1 1276 . 10 1 1 A 106 106 THR N N 103 118.569 120.386 -1.817 1
1 1277 . 10 1 1 A 107 107 ASP H H 104 8.400 9.055 -0.655 1
1 1278 . 10 1 1 A 107 107 ASP HA H 104 4.635 4.543 0.092 1
1 1281 . 10 1 1 A 107 107 ASP C C 104 176.214 176.204 0.010 1
1 1282 . 10 1 1 A 107 107 ASP CA C 104 55.771 56.361 -0.590 1
1 1283 . 10 1 1 A 107 107 ASP CB C 104 41.463 41.517 -0.054 1
1 1284 . 10 1 1 A 107 107 ASP N N 104 125.388 124.561 0.827 1
1 1285 . 10 1 1 A 108 108 GLU H H 105 7.995 7.224 0.771 1
1 1286 . 10 1 1 A 108 108 GLU HA H 105 4.524 4.765 -0.241 1
1 1291 . 10 1 1 A 108 108 GLU C C 105 175.340 176.046 -0.706 1
1 1292 . 10 1 1 A 108 108 GLU CA C 105 54.564 54.732 -0.168 1
1 1293 . 10 1 1 A 108 108 GLU CB C 105 30.953 32.584 -1.631 1
1 1295 . 10 1 1 A 108 108 GLU N N 105 120.222 113.160 7.062 1
1 1296 . 10 1 1 A 109 109 ILE H H 106 8.389 8.483 -0.094 1
1 1297 . 10 1 1 A 109 109 ILE HA H 106 3.853 4.196 -0.343 1
1 1307 . 10 1 1 A 109 109 ILE C C 106 176.324 177.854 -1.530 1
1 1308 . 10 1 1 A 109 109 ILE CA C 106 60.148 62.537 -2.389 1
1 1309 . 10 1 1 A 109 109 ILE CB C 106 38.950 40.322 -1.372 1
1 1313 . 10 1 1 A 109 109 ILE N N 106 124.088 122.220 1.868 1
1 1314 . 10 1 1 A 110 110 GLY H H 107 8.534 8.580 -0.046 1
1 1315 . 10 1 1 A 110 110 GLY HA2 H 107 3.744 3.721 0.023 1
1 1316 . 10 1 1 A 110 110 GLY HA3 H 107 3.705 3.748 -0.043 1
1 1317 . 10 1 1 A 110 110 GLY C C 107 175.021 176.017 -0.996 1
1 1318 . 10 1 1 A 110 110 GLY CA C 107 46.530 47.325 -0.795 1
1 1319 . 10 1 1 A 110 110 GLY N N 107 109.224 109.246 -0.022 1
1 1320 . 10 1 1 A 111 111 THR H H 108 7.892 7.932 -0.040 1
1 1321 . 10 1 1 A 111 111 THR HA H 108 4.255 4.101 0.154 1
1 1326 . 10 1 1 A 111 111 THR C C 108 175.417 175.176 0.241 1
1 1327 . 10 1 1 A 111 111 THR CA C 108 61.287 64.798 -3.511 1
1 1328 . 10 1 1 A 111 111 THR CB C 108 68.657 68.781 -0.124 1
1 1330 . 10 1 1 A 111 111 THR N N 108 111.278 116.826 -5.548 1
1 1331 . 10 1 1 A 112 112 LEU H H 109 7.950 7.482 0.468 1
1 1332 . 10 1 1 A 112 112 LEU HA H 109 3.887 4.571 -0.684 1
1 1342 . 10 1 1 A 112 112 LEU C C 109 175.715 176.030 -0.315 1
1 1343 . 10 1 1 A 112 112 LEU CA C 109 56.661 53.998 2.663 1
1 1344 . 10 1 1 A 112 112 LEU CB C 109 43.310 43.351 -0.041 1
1 1348 . 10 1 1 A 112 112 LEU N N 109 122.017 114.129 7.888 1
1 1349 . 10 1 1 A 113 113 LEU H H 110 7.003 7.189 -0.186 1
1 1350 . 10 1 1 A 113 113 LEU HA H 110 4.327 4.510 -0.183 1
1 1360 . 10 1 1 A 113 113 LEU C C 110 175.563 174.101 1.462 1
1 1361 . 10 1 1 A 113 113 LEU CA C 110 52.377 54.321 -1.944 1
1 1362 . 10 1 1 A 113 113 LEU CB C 110 44.890 45.251 -0.361 1
1 1366 . 10 1 1 A 113 113 LEU N N 110 113.184 119.894 -6.710 1
1 1367 . 10 1 1 A 114 114 THR H H 111 9.101 8.723 0.378 1
1 1368 . 10 1 1 A 114 114 THR HA H 111 4.079 4.746 -0.667 1
1 1373 . 10 1 1 A 114 114 THR C C 111 173.117 174.204 -1.087 1
1 1374 . 10 1 1 A 114 114 THR CA C 111 62.838 62.398 0.440 1
1 1375 . 10 1 1 A 114 114 THR CB C 111 68.245 70.060 -1.815 1
1 1377 . 10 1 1 A 114 114 THR N N 111 119.602 122.886 -3.284 1
1 1378 . 10 1 1 A 115 115 LEU H H 112 8.461 8.647 -0.186 1
1 1379 . 10 1 1 A 115 115 LEU HA H 112 4.985 5.357 -0.372 1
1 1389 . 10 1 1 A 115 115 LEU C C 112 178.488 177.219 1.269 1
1 1390 . 10 1 1 A 115 115 LEU CA C 112 52.953 53.379 -0.426 1
1 1391 . 10 1 1 A 115 115 LEU CB C 112 43.316 45.526 -2.210 1
1 1395 . 10 1 1 A 115 115 LEU N N 112 129.372 126.258 3.114 1
1 1396 . 10 1 1 A 116 116 VAL H H 113 8.550 9.073 -0.523 1
1 1397 . 10 1 1 A 116 116 VAL HA H 113 4.141 3.868 0.273 1
1 1405 . 10 1 1 A 116 116 VAL C C 113 175.638 177.345 -1.707 1
1 1406 . 10 1 1 A 116 116 VAL CA C 113 61.559 65.010 -3.451 1
1 1407 . 10 1 1 A 116 116 VAL CB C 113 32.128 31.533 0.595 1
1 1410 . 10 1 1 A 116 116 VAL N N 113 117.300 123.069 -5.769 1
1 1411 . 10 1 1 A 117 117 ASP H H 114 8.095 7.901 0.194 1
1 1412 . 10 1 1 A 117 117 ASP HA H 114 4.561 4.560 0.001 1
1 1415 . 10 1 1 A 117 117 ASP C C 114 175.610 176.358 -0.748 1
1 1416 . 10 1 1 A 117 117 ASP CA C 114 53.586 56.460 -2.874 1
1 1417 . 10 1 1 A 117 117 ASP CB C 114 41.131 41.695 -0.564 1
1 1418 . 10 1 1 A 117 117 ASP N N 114 121.410 120.515 0.895 1
1 1419 . 10 1 1 A 118 118 GLN H H 115 8.048 7.772 0.276 1
1 1420 . 10 1 1 A 118 118 GLN HA H 115 4.539 4.546 -0.007 1
1 1427 . 10 1 1 A 118 118 GLN CA C 115 53.464 54.130 -0.666 1
1 1428 . 10 1 1 A 118 118 GLN CB C 115 29.143 27.814 1.329 1
1 1430 . 10 1 1 A 118 118 GLN N N 115 120.387 117.953 2.434 1
1 1432 . 10 1 1 A 119 119 PRO HA H 116 4.314 4.426 -0.112 1
1 1439 . 10 1 1 A 119 119 PRO C C 116 176.819 177.314 -0.495 1
1 1440 . 10 1 1 A 119 119 PRO CA C 116 63.073 63.427 -0.354 1
1 1441 . 10 1 1 A 119 119 PRO CB C 116 32.117 31.885 0.232 1
1 1444 . 10 1 1 A 120 120 GLN H H 117 8.404 9.138 -0.734 1
1 1445 . 10 1 1 A 120 120 GLN HA H 117 4.172 4.308 -0.136 1
1 1452 . 10 1 1 A 120 120 GLN C C 117 174.745 176.134 -1.389 1
1 1453 . 10 1 1 A 120 120 GLN CA C 117 55.531 58.232 -2.701 1
1 1454 . 10 1 1 A 120 120 GLN CB C 117 29.529 30.291 -0.762 1
1 1456 . 10 1 1 A 120 120 GLN N N 117 121.403 121.224 0.179 1
1 14 . 11 1 1 A 5 5 ARG H H 2 8.281 8.732 -0.451 1
1 15 . 11 1 1 A 5 5 ARG HA H 2 4.126 4.534 -0.408 1
1 22 . 11 1 1 A 5 5 ARG C C 2 176.387 175.563 0.824 1
1 23 . 11 1 1 A 5 5 ARG CA C 2 56.556 55.907 0.649 1
1 24 . 11 1 1 A 5 5 ARG CB C 2 30.698 30.004 0.694 1
1 27 . 11 1 1 A 5 5 ARG N N 2 123.269 127.319 -4.050 1
1 28 . 11 1 1 A 6 6 LEU H H 3 8.527 8.620 -0.093 1
1 29 . 11 1 1 A 6 6 LEU HA H 3 4.414 5.043 -0.629 1
1 39 . 11 1 1 A 6 6 LEU C C 3 178.040 175.794 2.246 1
1 40 . 11 1 1 A 6 6 LEU CA C 3 54.270 52.940 1.330 1
1 41 . 11 1 1 A 6 6 LEU CB C 3 43.612 45.417 -1.805 1
1 45 . 11 1 1 A 6 6 LEU N N 3 125.588 122.753 2.835 1
1 46 . 11 1 1 A 7 7 LYS H H 4 8.646 8.664 -0.018 1
1 47 . 11 1 1 A 7 7 LYS HA H 4 4.524 4.323 0.201 1
1 56 . 11 1 1 A 7 7 LYS C C 4 178.029 178.304 -0.275 1
1 57 . 11 1 1 A 7 7 LYS CA C 4 57.051 56.420 0.631 1
1 58 . 11 1 1 A 7 7 LYS CB C 4 32.877 33.185 -0.308 1
1 62 . 11 1 1 A 7 7 LYS N N 4 123.765 120.206 3.559 1
1 63 . 11 1 1 A 8 8 SER H H 5 8.316 8.615 -0.299 1
1 64 . 11 1 1 A 8 8 SER HA H 5 3.720 3.967 -0.247 1
1 67 . 11 1 1 A 8 8 SER C C 5 174.858 176.166 -1.308 1
1 68 . 11 1 1 A 8 8 SER CA C 5 63.553 61.690 1.863 1
1 69 . 11 1 1 A 8 8 SER CB C 5 62.382 62.881 -0.499 1
1 70 . 11 1 1 A 8 8 SER N N 5 122.163 117.194 4.969 1
1 71 . 11 1 1 A 9 9 GLU H H 6 8.913 8.075 0.838 1
1 72 . 11 1 1 A 9 9 GLU HA H 6 3.401 3.159 0.242 1
1 77 . 11 1 1 A 9 9 GLU C C 6 177.494 178.206 -0.712 1
1 78 . 11 1 1 A 9 9 GLU CA C 6 59.824 58.710 1.114 1
1 79 . 11 1 1 A 9 9 GLU CB C 6 29.780 29.073 0.707 1
1 81 . 11 1 1 A 9 9 GLU N N 6 118.372 121.457 -3.085 1
1 82 . 11 1 1 A 10 10 MET H H 7 6.642 8.055 -1.413 1
1 83 . 11 1 1 A 10 10 MET HA H 7 4.200 4.142 0.058 1
1 91 . 11 1 1 A 10 10 MET C C 7 178.173 178.296 -0.123 1
1 92 . 11 1 1 A 10 10 MET CA C 7 57.360 58.344 -0.984 1
1 93 . 11 1 1 A 10 10 MET CB C 7 32.761 32.168 0.593 1
1 96 . 11 1 1 A 10 10 MET N N 7 117.318 119.038 -1.720 1
1 97 . 11 1 1 A 11 11 PHE H H 8 8.432 7.637 0.795 1
1 98 . 11 1 1 A 11 11 PHE HA H 8 3.718 4.153 -0.435 1
1 105 . 11 1 1 A 11 11 PHE C C 8 177.603 177.545 0.058 1
1 106 . 11 1 1 A 11 11 PHE CA C 8 61.845 61.261 0.584 1
1 107 . 11 1 1 A 11 11 PHE CB C 8 38.595 38.951 -0.356 1
1 112 . 11 1 1 A 11 11 PHE N N 8 122.099 120.892 1.207 1
1 113 . 11 1 1 A 12 12 VAL H H 9 8.133 7.812 0.321 1
1 114 . 11 1 1 A 12 12 VAL HA H 9 3.021 3.769 -0.748 1
1 122 . 11 1 1 A 12 12 VAL C C 9 176.668 177.965 -1.297 1
1 123 . 11 1 1 A 12 12 VAL CA C 9 67.353 65.440 1.913 1
1 124 . 11 1 1 A 12 12 VAL CB C 9 31.238 31.635 -0.397 1
1 127 . 11 1 1 A 12 12 VAL N N 9 119.317 119.140 0.177 1
1 128 . 11 1 1 A 13 13 SER H H 10 7.750 7.901 -0.151 1
1 129 . 11 1 1 A 13 13 SER HA H 10 3.905 3.972 -0.067 1
1 132 . 11 1 1 A 13 13 SER C C 10 176.947 176.904 0.043 1
1 133 . 11 1 1 A 13 13 SER CA C 10 61.775 61.517 0.258 1
1 134 . 11 1 1 A 13 13 SER CB C 10 62.483 62.953 -0.470 1
1 135 . 11 1 1 A 13 13 SER N N 10 114.115 117.135 -3.020 1
1 136 . 11 1 1 A 14 14 ALA H H 11 7.776 7.233 0.543 1
1 137 . 11 1 1 A 14 14 ALA HA H 11 3.860 4.053 -0.193 1
1 141 . 11 1 1 A 14 14 ALA C C 11 179.154 179.733 -0.579 1
1 142 . 11 1 1 A 14 14 ALA CA C 11 54.811 54.794 0.017 1
1 143 . 11 1 1 A 14 14 ALA CB C 11 17.641 18.239 -0.598 1
1 144 . 11 1 1 A 14 14 ALA N N 11 123.170 123.616 -0.446 1
1 145 . 11 1 1 A 15 15 LEU H H 12 7.732 7.849 -0.117 1
1 146 . 11 1 1 A 15 15 LEU HA H 12 3.636 3.803 -0.167 1
1 156 . 11 1 1 A 15 15 LEU C C 12 177.617 179.072 -1.455 1
1 157 . 11 1 1 A 15 15 LEU CA C 12 57.790 57.496 0.294 1
1 158 . 11 1 1 A 15 15 LEU CB C 12 41.352 41.303 0.049 1
1 162 . 11 1 1 A 15 15 LEU N N 12 121.171 119.420 1.751 1
1 163 . 11 1 1 A 16 16 ILE H H 13 8.037 7.984 0.053 1
1 164 . 11 1 1 A 16 16 ILE HA H 13 3.061 3.523 -0.462 1
1 174 . 11 1 1 A 16 16 ILE C C 13 177.708 178.056 -0.348 1
1 175 . 11 1 1 A 16 16 ILE CA C 13 65.872 65.422 0.450 1
1 176 . 11 1 1 A 16 16 ILE CB C 13 37.704 37.786 -0.082 1
1 180 . 11 1 1 A 16 16 ILE N N 13 117.849 120.287 -2.438 1
1 181 . 11 1 1 A 17 17 ARG H H 14 7.537 8.060 -0.523 1
1 182 . 11 1 1 A 17 17 ARG HA H 14 3.980 4.225 -0.245 1
1 189 . 11 1 1 A 17 17 ARG C C 14 179.876 179.126 0.750 1
1 190 . 11 1 1 A 17 17 ARG CA C 14 59.920 59.057 0.863 1
1 191 . 11 1 1 A 17 17 ARG CB C 14 29.995 29.600 0.395 1
1 194 . 11 1 1 A 17 17 ARG N N 14 117.366 120.297 -2.931 1
1 195 . 11 1 1 A 18 18 ARG H H 15 8.068 7.710 0.358 1
1 196 . 11 1 1 A 18 18 ARG HA H 15 3.868 4.029 -0.161 1
1 203 . 11 1 1 A 18 18 ARG C C 15 176.630 178.818 -2.188 1
1 204 . 11 1 1 A 18 18 ARG CA C 15 59.606 59.201 0.405 1
1 205 . 11 1 1 A 18 18 ARG CB C 15 30.327 29.852 0.475 1
1 208 . 11 1 1 A 18 18 ARG N N 15 119.713 119.786 -0.073 1
1 209 . 11 1 1 A 19 19 VAL H H 16 8.259 7.276 0.983 1
1 210 . 11 1 1 A 19 19 VAL HA H 16 3.296 3.740 -0.444 1
1 218 . 11 1 1 A 19 19 VAL C C 16 177.306 178.039 -0.733 1
1 219 . 11 1 1 A 19 19 VAL CA C 16 66.667 65.300 1.367 1
1 220 . 11 1 1 A 19 19 VAL CB C 16 30.421 31.358 -0.937 1
1 223 . 11 1 1 A 19 19 VAL N N 16 121.385 116.508 4.877 1
1 224 . 11 1 1 A 20 20 PHE H H 17 8.014 7.698 0.316 1
1 225 . 11 1 1 A 20 20 PHE HA H 17 4.222 4.343 -0.121 1
1 233 . 11 1 1 A 20 20 PHE C C 17 180.973 178.043 2.930 1
1 234 . 11 1 1 A 20 20 PHE CA C 17 61.988 61.376 0.612 1
1 235 . 11 1 1 A 20 20 PHE CB C 17 38.553 37.747 0.806 1
1 241 . 11 1 1 A 20 20 PHE N N 17 118.811 120.749 -1.938 1
1 242 . 11 1 1 A 21 21 ALA H H 18 8.192 8.087 0.105 1
1 243 . 11 1 1 A 21 21 ALA HA H 18 4.096 4.147 -0.051 1
1 247 . 11 1 1 A 21 21 ALA C C 18 178.425 179.025 -0.600 1
1 248 . 11 1 1 A 21 21 ALA CA C 18 54.716 54.676 0.040 1
1 249 . 11 1 1 A 21 21 ALA CB C 18 17.752 18.052 -0.300 1
1 250 . 11 1 1 A 21 21 ALA N N 18 122.995 121.709 1.286 1
1 251 . 11 1 1 A 22 22 ALA H H 19 7.256 7.235 0.021 1
1 252 . 11 1 1 A 22 22 ALA HA H 19 4.356 4.354 0.002 1
1 256 . 11 1 1 A 22 22 ALA C C 19 177.665 178.233 -0.568 1
1 257 . 11 1 1 A 22 22 ALA CA C 19 51.629 51.849 -0.220 1
1 258 . 11 1 1 A 22 22 ALA CB C 19 18.554 19.003 -0.449 1
1 259 . 11 1 1 A 22 22 ALA N N 19 118.872 117.594 1.278 1
1 260 . 11 1 1 A 23 23 GLY H H 20 7.774 8.255 -0.481 1
1 261 . 11 1 1 A 23 23 GLY HA2 H 20 4.207 3.981 0.226 1
1 262 . 11 1 1 A 23 23 GLY HA3 H 20 3.762 4.012 -0.250 1
1 263 . 11 1 1 A 23 23 GLY C C 20 174.779 174.548 0.231 1
1 264 . 11 1 1 A 23 23 GLY CA C 20 45.347 45.274 0.073 1
1 265 . 11 1 1 A 23 23 GLY N N 20 106.718 107.643 -0.925 1
1 266 . 11 1 1 A 24 24 GLY H H 21 7.795 7.938 -0.143 1
1 267 . 11 1 1 A 24 24 GLY HA2 H 21 4.538 3.945 0.593 1
1 268 . 11 1 1 A 24 24 GLY HA3 H 21 3.306 3.995 -0.689 1
1 269 . 11 1 1 A 24 24 GLY C C 21 171.187 172.090 -0.903 1
1 270 . 11 1 1 A 24 24 GLY CA C 21 43.665 44.623 -0.958 1
1 271 . 11 1 1 A 24 24 GLY N N 21 108.369 107.941 0.428 1
1 272 . 11 1 1 A 25 25 PHE H H 22 7.340 8.681 -1.341 1
1 273 . 11 1 1 A 25 25 PHE HA H 22 3.784 4.410 -0.626 1
1 280 . 11 1 1 A 25 25 PHE C C 22 172.423 173.742 -1.319 1
1 281 . 11 1 1 A 25 25 PHE CA C 22 56.434 55.879 0.555 1
1 282 . 11 1 1 A 25 25 PHE CB C 22 42.819 42.633 0.186 1
1 287 . 11 1 1 A 25 25 PHE N N 22 117.754 120.664 -2.910 1
1 288 . 11 1 1 A 26 26 ALA H H 23 5.579 7.612 -2.033 1
1 289 . 11 1 1 A 26 26 ALA HA H 23 4.943 5.221 -0.278 1
1 293 . 11 1 1 A 26 26 ALA C C 23 173.842 175.292 -1.450 1
1 294 . 11 1 1 A 26 26 ALA CA C 23 50.257 51.020 -0.763 1
1 295 . 11 1 1 A 26 26 ALA CB C 23 25.150 23.430 1.720 1
1 296 . 11 1 1 A 26 26 ALA N N 23 126.477 127.423 -0.946 1
1 297 . 11 1 1 A 27 27 ALA H H 24 8.723 8.156 0.567 1
1 298 . 11 1 1 A 27 27 ALA HA H 24 4.330 4.785 -0.455 1
1 302 . 11 1 1 A 27 27 ALA C C 24 175.543 175.666 -0.123 1
1 303 . 11 1 1 A 27 27 ALA CA C 24 51.545 51.833 -0.288 1
1 304 . 11 1 1 A 27 27 ALA CB C 24 22.974 22.044 0.930 1
1 305 . 11 1 1 A 27 27 ALA N N 24 118.178 120.105 -1.927 1
1 306 . 11 1 1 A 28 28 VAL H H 25 8.841 9.001 -0.160 1
1 307 . 11 1 1 A 28 28 VAL HA H 25 3.972 4.349 -0.377 1
1 315 . 11 1 1 A 28 28 VAL C C 25 175.547 175.406 0.141 1
1 316 . 11 1 1 A 28 28 VAL CA C 25 64.153 62.239 1.914 1
1 317 . 11 1 1 A 28 28 VAL CB C 25 31.951 31.605 0.346 1
1 320 . 11 1 1 A 28 28 VAL N N 25 120.857 124.813 -3.956 1
1 321 . 11 1 1 A 29 29 GLU H H 26 8.595 8.748 -0.153 1
1 322 . 11 1 1 A 29 29 GLU HA H 26 4.275 4.222 0.053 1
1 327 . 11 1 1 A 29 29 GLU C C 26 176.177 176.367 -0.190 1
1 328 . 11 1 1 A 29 29 GLU CA C 26 57.686 58.899 -1.213 1
1 329 . 11 1 1 A 29 29 GLU CB C 26 30.521 30.399 0.122 1
1 331 . 11 1 1 A 29 29 GLU N N 26 132.091 129.709 2.382 1
1 332 . 11 1 1 A 30 30 LYS H H 27 8.163 7.476 0.687 1
1 333 . 11 1 1 A 30 30 LYS HA H 27 4.352 4.723 -0.371 1
1 342 . 11 1 1 A 30 30 LYS C C 27 174.232 174.938 -0.706 1
1 343 . 11 1 1 A 30 30 LYS CA C 27 55.370 55.369 0.001 1
1 344 . 11 1 1 A 30 30 LYS CB C 27 36.138 34.473 1.665 1
1 348 . 11 1 1 A 30 30 LYS N N 27 119.899 119.277 0.622 1
1 349 . 11 1 1 A 31 31 LYS H H 28 8.603 8.515 0.088 1
1 350 . 11 1 1 A 31 31 LYS HA H 28 3.268 4.273 -1.005 1
1 359 . 11 1 1 A 31 31 LYS C C 28 175.170 174.939 0.231 1
1 360 . 11 1 1 A 31 31 LYS CA C 28 56.089 53.842 2.247 1
1 361 . 11 1 1 A 31 31 LYS CB C 28 32.386 35.413 -3.027 1
1 365 . 11 1 1 A 31 31 LYS N N 28 129.067 126.644 2.423 1
1 366 . 11 1 1 A 32 32 GLY H H 29 3.335 6.617 -3.282 1
1 367 . 11 1 1 A 32 32 GLY HA2 H 29 3.652 3.963 -0.311 1
1 368 . 11 1 1 A 32 32 GLY HA3 H 29 2.313 4.011 -1.698 1
1 369 . 11 1 1 A 32 32 GLY C C 29 172.863 173.118 -0.255 1
1 370 . 11 1 1 A 32 32 GLY CA C 29 43.344 44.419 -1.075 1
1 371 . 11 1 1 A 32 32 GLY N N 29 113.639 111.714 1.925 1
1 372 . 11 1 1 A 33 33 ALA H H 30 8.202 8.121 0.081 1
1 373 . 11 1 1 A 33 33 ALA HA H 30 4.173 4.482 -0.309 1
1 377 . 11 1 1 A 33 33 ALA C C 30 181.026 178.662 2.364 1
1 378 . 11 1 1 A 33 33 ALA CA C 30 52.674 51.785 0.889 1
1 379 . 11 1 1 A 33 33 ALA CB C 30 19.020 19.532 -0.512 1
1 380 . 11 1 1 A 33 33 ALA N N 30 121.182 125.360 -4.178 1
1 381 . 11 1 1 A 34 34 GLU H H 31 9.313 9.258 0.055 1
1 382 . 11 1 1 A 34 34 GLU HA H 31 4.130 4.198 -0.068 1
1 387 . 11 1 1 A 34 34 GLU C C 31 177.137 178.797 -1.660 1
1 388 . 11 1 1 A 34 34 GLU CA C 31 61.214 59.426 1.788 1
1 389 . 11 1 1 A 34 34 GLU CB C 31 29.947 29.548 0.399 1
1 391 . 11 1 1 A 34 34 GLU N N 31 126.206 124.711 1.495 1
1 392 . 11 1 1 A 35 35 ALA H H 32 8.614 8.159 0.455 1
1 393 . 11 1 1 A 35 35 ALA HA H 32 4.377 4.293 0.084 1
1 397 . 11 1 1 A 35 35 ALA C C 32 180.260 179.215 1.045 1
1 398 . 11 1 1 A 35 35 ALA CA C 32 55.118 54.627 0.491 1
1 399 . 11 1 1 A 35 35 ALA CB C 32 18.192 19.490 -1.298 1
1 400 . 11 1 1 A 35 35 ALA N N 32 119.251 121.591 -2.340 1
1 401 . 11 1 1 A 36 36 ALA H H 33 8.467 7.566 0.901 1
1 402 . 11 1 1 A 36 36 ALA HA H 33 4.612 4.339 0.273 1
1 406 . 11 1 1 A 36 36 ALA C C 33 177.468 178.077 -0.609 1
1 407 . 11 1 1 A 36 36 ALA CA C 33 51.190 52.244 -1.054 1
1 408 . 11 1 1 A 36 36 ALA CB C 33 19.451 19.368 0.083 1
1 409 . 11 1 1 A 36 36 ALA N N 33 120.927 118.210 2.717 1
1 410 . 11 1 1 A 37 37 GLY H H 34 7.445 7.985 -0.540 1
1 411 . 11 1 1 A 37 37 GLY HA2 H 34 4.143 4.164 -0.021 1
1 412 . 11 1 1 A 37 37 GLY HA3 H 34 4.010 4.285 -0.275 1
1 413 . 11 1 1 A 37 37 GLY C C 34 174.885 173.454 1.431 1
1 414 . 11 1 1 A 37 37 GLY CA C 34 46.790 45.280 1.510 1
1 415 . 11 1 1 A 37 37 GLY N N 34 105.715 106.845 -1.130 1
1 416 . 11 1 1 A 38 38 ALA H H 35 9.722 8.048 1.674 1
1 417 . 11 1 1 A 38 38 ALA HA H 35 4.053 4.652 -0.599 1
1 421 . 11 1 1 A 38 38 ALA CA C 35 52.676 51.487 1.189 1
1 422 . 11 1 1 A 38 38 ALA CB C 35 20.069 20.467 -0.398 1
1 423 . 11 1 1 A 38 38 ALA N N 35 131.782 121.639 10.143 1
1 424 . 11 1 1 A 39 39 ILE H H 36 7.776 8.540 -0.764 1
1 425 . 11 1 1 A 39 39 ILE HA H 36 4.533 5.055 -0.522 1
1 435 . 11 1 1 A 39 39 ILE C C 36 172.754 174.794 -2.040 1
1 436 . 11 1 1 A 39 39 ILE CA C 36 61.429 60.591 0.838 1
1 437 . 11 1 1 A 39 39 ILE CB C 36 40.275 40.900 -0.625 1
1 441 . 11 1 1 A 39 39 ILE N N 36 119.692 120.141 -0.449 1
1 442 . 11 1 1 A 40 40 PHE H H 37 8.513 9.541 -1.028 1
1 443 . 11 1 1 A 40 40 PHE HA H 37 5.242 5.654 -0.412 1
1 448 . 11 1 1 A 40 40 PHE C C 37 175.559 174.449 1.110 1
1 449 . 11 1 1 A 40 40 PHE CA C 37 56.375 56.329 0.046 1
1 450 . 11 1 1 A 40 40 PHE CB C 37 41.794 40.533 1.261 1
1 453 . 11 1 1 A 40 40 PHE N N 37 123.003 125.728 -2.725 1
1 454 . 11 1 1 A 41 41 VAL H H 38 8.898 9.164 -0.266 1
1 455 . 11 1 1 A 41 41 VAL HA H 38 4.981 4.880 0.101 1
1 463 . 11 1 1 A 41 41 VAL C C 38 174.233 175.253 -1.020 1
1 464 . 11 1 1 A 41 41 VAL CA C 38 60.287 61.234 -0.947 1
1 465 . 11 1 1 A 41 41 VAL CB C 38 35.122 33.721 1.401 1
1 468 . 11 1 1 A 41 41 VAL N N 38 120.239 123.544 -3.305 1
1 469 . 11 1 1 A 42 42 ARG H H 39 9.399 9.054 0.345 1
1 470 . 11 1 1 A 42 42 ARG HA H 39 5.094 5.435 -0.341 1
1 478 . 11 1 1 A 42 42 ARG C C 39 173.198 174.778 -1.580 1
1 479 . 11 1 1 A 42 42 ARG CA C 39 54.067 55.167 -1.100 1
1 480 . 11 1 1 A 42 42 ARG CB C 39 33.430 31.914 1.516 1
1 483 . 11 1 1 A 42 42 ARG N N 39 129.107 126.087 3.020 1
1 485 . 11 1 1 A 43 43 GLN H H 40 9.402 8.620 0.782 1
1 486 . 11 1 1 A 43 43 GLN HA H 40 5.371 4.922 0.449 1
1 493 . 11 1 1 A 43 43 GLN C C 40 174.278 174.952 -0.674 1
1 494 . 11 1 1 A 43 43 GLN CA C 40 52.778 56.027 -3.249 1
1 495 . 11 1 1 A 43 43 GLN CB C 40 31.703 30.000 1.703 1
1 497 . 11 1 1 A 43 43 GLN N N 40 127.936 124.949 2.987 1
1 499 . 11 1 1 A 44 44 ARG H H 41 8.875 8.759 0.116 1
1 500 . 11 1 1 A 44 44 ARG HA H 41 4.488 5.067 -0.579 1
1 507 . 11 1 1 A 44 44 ARG C C 41 175.417 174.827 0.590 1
1 508 . 11 1 1 A 44 44 ARG CA C 41 56.319 54.527 1.792 1
1 509 . 11 1 1 A 44 44 ARG CB C 41 31.231 33.340 -2.109 1
1 512 . 11 1 1 A 44 44 ARG N N 41 127.617 126.743 0.874 1
1 513 . 11 1 1 A 45 45 LEU H H 42 8.494 8.877 -0.383 1
1 514 . 11 1 1 A 45 45 LEU HA H 42 4.480 4.514 -0.034 1
1 524 . 11 1 1 A 45 45 LEU C C 42 179.893 178.570 1.323 1
1 525 . 11 1 1 A 45 45 LEU CA C 42 53.972 54.446 -0.474 1
1 526 . 11 1 1 A 45 45 LEU CB C 42 42.206 42.276 -0.070 1
1 530 . 11 1 1 A 45 45 LEU N N 42 125.380 128.221 -2.841 1
1 531 . 11 1 1 A 46 46 ARG H H 43 9.223 8.773 0.450 1
1 532 . 11 1 1 A 46 46 ARG HA H 43 3.929 4.059 -0.130 1
1 539 . 11 1 1 A 46 46 ARG C C 43 177.114 177.837 -0.723 1
1 540 . 11 1 1 A 46 46 ARG CA C 43 58.773 58.164 0.609 1
1 541 . 11 1 1 A 46 46 ARG CB C 43 29.688 29.856 -0.168 1
1 544 . 11 1 1 A 46 46 ARG N N 43 121.380 123.008 -1.628 1
1 545 . 11 1 1 A 47 47 ASP H H 44 7.727 7.826 -0.099 1
1 546 . 11 1 1 A 47 47 ASP HA H 44 4.373 4.481 -0.108 1
1 549 . 11 1 1 A 47 47 ASP C C 44 177.125 176.138 0.987 1
1 550 . 11 1 1 A 47 47 ASP CA C 44 53.256 55.341 -2.085 1
1 551 . 11 1 1 A 47 47 ASP CB C 44 39.993 41.129 -1.136 1
1 552 . 11 1 1 A 47 47 ASP N N 44 115.801 118.133 -2.332 1
1 553 . 11 1 1 A 48 48 GLY H H 45 7.878 7.591 0.287 1
1 554 . 11 1 1 A 48 48 GLY HA2 H 45 4.237 4.044 0.193 1
1 555 . 11 1 1 A 48 48 GLY HA3 H 45 3.531 4.045 -0.514 1
1 556 . 11 1 1 A 48 48 GLY C C 45 175.041 174.450 0.591 1
1 557 . 11 1 1 A 48 48 GLY CA C 45 45.289 45.230 0.059 1
1 558 . 11 1 1 A 48 48 GLY N N 45 108.005 105.928 2.077 1
1 559 . 11 1 1 A 49 49 ARG H H 46 7.696 7.665 0.031 1
1 560 . 11 1 1 A 49 49 ARG HA H 46 4.309 4.554 -0.245 1
1 567 . 11 1 1 A 49 49 ARG C C 46 174.199 175.487 -1.288 1
1 568 . 11 1 1 A 49 49 ARG CA C 46 55.909 55.446 0.463 1
1 569 . 11 1 1 A 49 49 ARG CB C 46 31.226 31.799 -0.573 1
1 572 . 11 1 1 A 49 49 ARG N N 46 120.601 120.486 0.115 1
1 573 . 11 1 1 A 50 50 GLU H H 47 8.885 8.436 0.449 1
1 574 . 11 1 1 A 50 50 GLU HA H 47 5.381 5.256 0.125 1
1 579 . 11 1 1 A 50 50 GLU C C 47 175.590 175.182 0.408 1
1 580 . 11 1 1 A 50 50 GLU CA C 47 55.057 54.758 0.299 1
1 581 . 11 1 1 A 50 50 GLU CB C 47 35.650 33.792 1.858 1
1 583 . 11 1 1 A 50 50 GLU N N 47 116.439 119.000 -2.561 1
1 584 . 11 1 1 A 51 51 ASN H H 48 8.683 8.839 -0.156 1
1 585 . 11 1 1 A 51 51 ASN HA H 48 5.153 5.279 -0.126 1
1 590 . 11 1 1 A 51 51 ASN C C 48 173.562 174.409 -0.847 1
1 591 . 11 1 1 A 51 51 ASN CA C 48 50.361 51.917 -1.556 1
1 592 . 11 1 1 A 51 51 ASN CB C 48 41.823 43.106 -1.283 1
1 593 . 11 1 1 A 51 51 ASN N N 48 114.752 117.558 -2.806 1
1 595 . 11 1 1 A 52 52 LEU H H 49 8.847 8.552 0.295 1
1 596 . 11 1 1 A 52 52 LEU HA H 49 5.274 5.078 0.196 1
1 606 . 11 1 1 A 52 52 LEU C C 49 174.213 173.780 0.433 1
1 607 . 11 1 1 A 52 52 LEU CA C 49 52.889 53.242 -0.353 1
1 608 . 11 1 1 A 52 52 LEU CB C 49 46.300 46.413 -0.113 1
1 612 . 11 1 1 A 52 52 LEU N N 49 120.365 122.240 -1.875 1
1 613 . 11 1 1 A 53 53 TYR H H 50 9.641 9.082 0.559 1
1 614 . 11 1 1 A 53 53 TYR HA H 50 5.519 5.752 -0.233 1
1 621 . 11 1 1 A 53 53 TYR C C 50 175.473 175.385 0.088 1
1 622 . 11 1 1 A 53 53 TYR CA C 50 55.928 55.740 0.188 1
1 623 . 11 1 1 A 53 53 TYR CB C 50 40.076 43.112 -3.036 1
1 628 . 11 1 1 A 53 53 TYR N N 50 127.507 123.858 3.649 1
1 629 . 11 1 1 A 54 54 GLY H H 51 8.893 8.623 0.270 1
1 630 . 11 1 1 A 54 54 GLY HA2 H 51 4.687 3.580 1.107 1
1 631 . 11 1 1 A 54 54 GLY HA3 H 51 3.127 3.601 -0.474 1
1 632 . 11 1 1 A 54 54 GLY CA C 51 44.040 44.258 -0.218 1
1 633 . 11 1 1 A 54 54 GLY N N 51 108.518 109.606 -1.088 1
1 634 . 11 1 1 A 55 55 PRO HA H 52 3.849 3.828 0.021 1
1 641 . 11 1 1 A 55 55 PRO C C 52 176.695 176.646 0.049 1
1 642 . 11 1 1 A 55 55 PRO CA C 52 63.187 62.061 1.126 1
1 643 . 11 1 1 A 55 55 PRO CB C 52 32.096 31.345 0.751 1
1 646 . 11 1 1 A 56 56 ALA H H 53 7.675 7.875 -0.200 1
1 647 . 11 1 1 A 56 56 ALA HA H 53 4.242 4.395 -0.153 1
1 651 . 11 1 1 A 56 56 ALA CA C 53 49.506 50.784 -1.278 1
1 652 . 11 1 1 A 56 56 ALA CB C 53 18.096 17.659 0.437 1
1 653 . 11 1 1 A 56 56 ALA N N 53 126.695 124.351 2.344 1
1 654 . 11 1 1 A 57 57 PRO HA H 54 4.186 4.660 -0.474 1
1 661 . 11 1 1 A 57 57 PRO C C 54 179.368 176.132 3.236 1
1 662 . 11 1 1 A 57 57 PRO CA C 54 63.116 62.348 0.768 1
1 663 . 11 1 1 A 57 57 PRO CB C 54 31.747 29.469 2.278 1
1 666 . 11 1 1 A 58 58 GLN H H 55 8.278 8.307 -0.029 1
1 667 . 11 1 1 A 58 58 GLN HA H 55 4.083 4.226 -0.143 1
1 674 . 11 1 1 A 58 58 GLN C C 55 175.368 175.709 -0.341 1
1 675 . 11 1 1 A 58 58 GLN CA C 55 55.635 56.011 -0.376 1
1 676 . 11 1 1 A 58 58 GLN CB C 55 29.927 29.237 0.690 1
1 678 . 11 1 1 A 58 58 GLN N N 55 121.313 122.884 -1.571 1
1 680 . 11 1 1 A 59 59 SER H H 56 8.182 8.541 -0.359 1
1 681 . 11 1 1 A 59 59 SER HA H 56 4.246 4.429 -0.183 1
1 684 . 11 1 1 A 59 59 SER C C 56 174.075 173.733 0.342 1
1 685 . 11 1 1 A 59 59 SER CA C 56 57.667 57.809 -0.142 1
1 686 . 11 1 1 A 59 59 SER CB C 56 63.751 61.330 2.421 1
1 687 . 11 1 1 A 59 59 SER N N 56 117.615 121.196 -3.581 1
1 688 . 11 1 1 A 60 60 PHE H H 57 8.100 7.806 0.294 1
1 689 . 11 1 1 A 60 60 PHE HA H 57 4.493 5.124 -0.631 1
1 696 . 11 1 1 A 60 60 PHE C C 57 175.439 174.265 1.174 1
1 697 . 11 1 1 A 60 60 PHE CA C 57 57.622 55.322 2.300 1
1 698 . 11 1 1 A 60 60 PHE CB C 57 39.519 40.888 -1.369 1
1 703 . 11 1 1 A 60 60 PHE N N 57 121.890 120.843 1.047 1
1 704 . 11 1 1 A 61 61 ALA H H 58 8.234 8.700 -0.466 1
1 705 . 11 1 1 A 61 61 ALA HA H 58 4.165 4.732 -0.567 1
1 709 . 11 1 1 A 61 61 ALA C C 58 179.286 177.310 1.976 1
1 710 . 11 1 1 A 61 61 ALA CA C 58 52.471 51.053 1.418 1
1 711 . 11 1 1 A 61 61 ALA CB C 58 19.444 20.265 -0.821 1
1 712 . 11 1 1 A 61 61 ALA N N 58 124.383 124.250 0.133 1
1 713 . 11 1 1 A 62 62 ASP H H 59 8.017 9.459 -1.442 1
1 714 . 11 1 1 A 62 62 ASP HA H 59 4.412 4.410 0.002 1
1 717 . 11 1 1 A 62 62 ASP C C 59 176.073 174.691 1.382 1
1 718 . 11 1 1 A 62 62 ASP CA C 59 54.360 55.256 -0.896 1
1 719 . 11 1 1 A 62 62 ASP CB C 59 41.213 39.931 1.282 1
1 720 . 11 1 1 A 62 62 ASP N N 59 118.579 124.878 -6.299 1
1 721 . 11 1 1 A 63 63 ASP H H 60 8.096 8.655 -0.559 1
1 722 . 11 1 1 A 63 63 ASP HA H 60 4.346 3.985 0.361 1
1 725 . 11 1 1 A 63 63 ASP C C 60 176.619 175.672 0.947 1
1 726 . 11 1 1 A 63 63 ASP CA C 60 54.714 55.724 -1.010 1
1 727 . 11 1 1 A 63 63 ASP CB C 60 40.801 38.876 1.925 1
1 728 . 11 1 1 A 63 63 ASP N N 60 119.530 111.926 7.604 1
1 729 . 11 1 1 A 64 64 GLU H H 61 8.109 7.988 0.121 1
1 730 . 11 1 1 A 64 64 GLU HA H 61 4.012 4.064 -0.052 1
1 735 . 11 1 1 A 64 64 GLU C C 61 176.652 179.172 -2.520 1
1 736 . 11 1 1 A 64 64 GLU CA C 61 57.301 59.219 -1.918 1
1 737 . 11 1 1 A 64 64 GLU CB C 61 30.107 29.618 0.489 1
1 739 . 11 1 1 A 64 64 GLU N N 61 120.050 119.414 0.636 1
1 740 . 11 1 1 A 65 65 ASP H H 62 8.062 8.317 -0.255 1
1 741 . 11 1 1 A 65 65 ASP HA H 62 4.369 4.427 -0.058 1
1 744 . 11 1 1 A 65 65 ASP C C 62 177.458 178.494 -1.036 1
1 745 . 11 1 1 A 65 65 ASP CA C 62 54.645 56.474 -1.829 1
1 746 . 11 1 1 A 65 65 ASP CB C 62 40.896 41.613 -0.717 1
1 747 . 11 1 1 A 65 65 ASP N N 62 120.211 119.857 0.354 1
1 748 . 11 1 1 A 66 66 ILE H H 63 7.805 7.708 0.097 1
1 749 . 11 1 1 A 66 66 ILE HA H 63 3.708 3.678 0.030 1
1 759 . 11 1 1 A 66 66 ILE C C 63 176.802 177.223 -0.421 1
1 760 . 11 1 1 A 66 66 ILE CA C 63 62.754 64.698 -1.944 1
1 761 . 11 1 1 A 66 66 ILE CB C 63 38.230 38.046 0.184 1
1 765 . 11 1 1 A 66 66 ILE N N 63 121.259 119.516 1.743 1
1 766 . 11 1 1 A 67 67 MET H H 64 7.950 7.776 0.174 1
1 767 . 11 1 1 A 67 67 MET HA H 64 4.229 4.585 -0.356 1
1 775 . 11 1 1 A 67 67 MET C C 64 176.724 176.744 -0.020 1
1 776 . 11 1 1 A 67 67 MET CA C 64 55.944 54.688 1.256 1
1 777 . 11 1 1 A 67 67 MET CB C 64 31.826 32.938 -1.112 1
1 780 . 11 1 1 A 67 67 MET N N 64 118.533 117.645 0.888 1
1 781 . 11 1 1 A 68 68 ARG H H 65 7.604 7.536 0.068 1
1 782 . 11 1 1 A 68 68 ARG HA H 65 4.197 4.431 -0.234 1
1 789 . 11 1 1 A 68 68 ARG C C 65 175.530 175.749 -0.219 1
1 790 . 11 1 1 A 68 68 ARG CA C 65 56.028 56.034 -0.006 1
1 791 . 11 1 1 A 68 68 ARG CB C 65 30.760 32.700 -1.940 1
1 794 . 11 1 1 A 68 68 ARG N N 65 118.706 116.984 1.722 1
1 795 . 11 1 1 A 69 69 ALA H H 66 7.634 7.672 -0.038 1
1 796 . 11 1 1 A 69 69 ALA HA H 66 4.254 4.746 -0.492 1
1 800 . 11 1 1 A 69 69 ALA C C 66 176.846 176.012 0.834 1
1 801 . 11 1 1 A 69 69 ALA CA C 66 51.905 50.531 1.374 1
1 802 . 11 1 1 A 69 69 ALA CB C 66 20.023 22.411 -2.388 1
1 803 . 11 1 1 A 69 69 ALA N N 66 123.528 120.050 3.478 1
1 804 . 11 1 1 A 70 70 GLU H H 67 8.192 8.526 -0.334 1
1 805 . 11 1 1 A 70 70 GLU HA H 67 4.228 4.285 -0.057 1
1 810 . 11 1 1 A 70 70 GLU C C 67 176.333 176.108 0.225 1
1 811 . 11 1 1 A 70 70 GLU CA C 67 55.928 56.868 -0.940 1
1 812 . 11 1 1 A 70 70 GLU CB C 67 30.769 29.884 0.885 1
1 814 . 11 1 1 A 70 70 GLU N N 67 120.599 122.451 -1.852 1
1 815 . 11 1 1 A 71 71 ARG H H 68 8.674 8.344 0.330 1
1 816 . 11 1 1 A 71 71 ARG HA H 68 3.696 4.225 -0.529 1
1 823 . 11 1 1 A 71 71 ARG C C 68 175.422 175.373 0.049 1
1 824 . 11 1 1 A 71 71 ARG CA C 68 56.964 56.241 0.723 1
1 825 . 11 1 1 A 71 71 ARG CB C 68 30.886 30.281 0.605 1
1 828 . 11 1 1 A 71 71 ARG N N 68 123.533 124.575 -1.042 1
1 829 . 11 1 1 A 72 72 ARG H H 69 7.660 8.666 -1.006 1
1 830 . 11 1 1 A 72 72 ARG HA H 69 4.642 4.683 -0.041 1
1 837 . 11 1 1 A 72 72 ARG C C 69 175.051 175.927 -0.876 1
1 838 . 11 1 1 A 72 72 ARG CA C 69 54.297 55.623 -1.326 1
1 839 . 11 1 1 A 72 72 ARG CB C 69 33.555 31.400 2.155 1
1 842 . 11 1 1 A 72 72 ARG N N 69 120.057 124.767 -4.710 1
1 843 . 11 1 1 A 73 73 PHE H H 70 8.714 8.730 -0.016 1
1 844 . 11 1 1 A 73 73 PHE HA H 70 5.020 5.073 -0.053 1
1 852 . 11 1 1 A 73 73 PHE C C 70 173.159 174.552 -1.393 1
1 853 . 11 1 1 A 73 73 PHE CA C 70 57.359 57.027 0.332 1
1 854 . 11 1 1 A 73 73 PHE CB C 70 43.426 41.918 1.508 1
1 860 . 11 1 1 A 73 73 PHE N N 70 119.519 122.315 -2.796 1
1 861 . 11 1 1 A 74 74 GLU H H 71 9.404 9.151 0.253 1
1 862 . 11 1 1 A 74 74 GLU HA H 71 4.996 5.067 -0.071 1
1 867 . 11 1 1 A 74 74 GLU C C 71 175.559 175.058 0.501 1
1 868 . 11 1 1 A 74 74 GLU CA C 71 52.975 54.859 -1.884 1
1 869 . 11 1 1 A 74 74 GLU CB C 71 33.399 33.628 -0.229 1
1 871 . 11 1 1 A 74 74 GLU N N 71 117.679 118.911 -1.232 1
1 872 . 11 1 1 A 75 75 THR H H 72 9.801 9.107 0.694 1
1 873 . 11 1 1 A 75 75 THR HA H 72 4.108 4.607 -0.499 1
1 878 . 11 1 1 A 75 75 THR C C 72 175.065 173.965 1.100 1
1 879 . 11 1 1 A 75 75 THR CA C 72 64.296 63.054 1.242 1
1 880 . 11 1 1 A 75 75 THR CB C 72 67.635 68.258 -0.623 1
1 882 . 11 1 1 A 75 75 THR N N 72 122.320 118.775 3.545 1
1 883 . 11 1 1 A 76 76 ARG H H 73 9.150 8.917 0.233 1
1 884 . 11 1 1 A 76 76 ARG HA H 73 4.283 4.346 -0.063 1
1 892 . 11 1 1 A 76 76 ARG C C 73 176.574 176.610 -0.036 1
1 893 . 11 1 1 A 76 76 ARG CA C 73 55.858 58.157 -2.299 1
1 894 . 11 1 1 A 76 76 ARG CB C 73 30.930 31.025 -0.095 1
1 897 . 11 1 1 A 76 76 ARG N N 73 127.709 128.318 -0.609 1
1 899 . 11 1 1 A 77 77 LEU H H 74 7.520 7.413 0.107 1
1 900 . 11 1 1 A 77 77 LEU HA H 74 4.480 4.920 -0.440 1
1 910 . 11 1 1 A 77 77 LEU C C 74 174.509 175.168 -0.659 1
1 911 . 11 1 1 A 77 77 LEU CA C 74 54.222 53.099 1.123 1
1 912 . 11 1 1 A 77 77 LEU CB C 74 47.315 45.999 1.316 1
1 916 . 11 1 1 A 77 77 LEU N N 74 117.021 118.093 -1.072 1
1 917 . 11 1 1 A 78 78 ALA H H 75 8.600 8.431 0.169 1
1 918 . 11 1 1 A 78 78 ALA HA H 75 4.999 5.012 -0.013 1
1 922 . 11 1 1 A 78 78 ALA C C 75 176.343 177.031 -0.688 1
1 923 . 11 1 1 A 78 78 ALA CA C 75 50.324 51.578 -1.254 1
1 924 . 11 1 1 A 78 78 ALA CB C 75 21.074 22.432 -1.358 1
1 925 . 11 1 1 A 78 78 ALA N N 75 124.663 122.602 2.061 1
1 926 . 11 1 1 A 79 79 GLY H H 76 8.730 8.822 -0.092 1
1 927 . 11 1 1 A 79 79 GLY HA2 H 76 3.706 3.840 -0.134 1
1 928 . 11 1 1 A 79 79 GLY HA3 H 76 3.306 3.841 -0.535 1
1 929 . 11 1 1 A 79 79 GLY C C 76 175.173 174.103 1.070 1
1 930 . 11 1 1 A 79 79 GLY CA C 76 47.520 46.703 0.817 1
1 931 . 11 1 1 A 79 79 GLY N N 76 114.411 110.682 3.729 1
1 932 . 11 1 1 A 80 80 VAL H H 77 8.380 7.733 0.647 1
1 933 . 11 1 1 A 80 80 VAL HA H 77 4.643 4.556 0.087 1
1 941 . 11 1 1 A 80 80 VAL C C 77 175.208 174.797 0.411 1
1 942 . 11 1 1 A 80 80 VAL CA C 77 59.289 60.086 -0.797 1
1 943 . 11 1 1 A 80 80 VAL CB C 77 34.226 33.931 0.295 1
1 946 . 11 1 1 A 80 80 VAL N N 77 112.611 116.984 -4.373 1
1 947 . 11 1 1 A 81 81 GLU H H 78 8.415 8.448 -0.033 1
1 948 . 11 1 1 A 81 81 GLU HA H 78 4.451 4.743 -0.292 1
1 953 . 11 1 1 A 81 81 GLU C C 78 178.955 177.652 1.303 1
1 954 . 11 1 1 A 81 81 GLU CA C 78 55.631 54.234 1.397 1
1 955 . 11 1 1 A 81 81 GLU CB C 78 30.535 31.622 -1.087 1
1 957 . 11 1 1 A 81 81 GLU N N 78 117.186 118.910 -1.724 1
1 958 . 11 1 1 A 82 82 GLY H H 79 8.834 8.636 0.198 1
1 959 . 11 1 1 A 82 82 GLY HA2 H 79 3.810 3.856 -0.046 1
1 960 . 11 1 1 A 82 82 GLY HA3 H 79 3.518 3.856 -0.338 1
1 961 . 11 1 1 A 82 82 GLY C C 79 176.446 175.734 0.712 1
1 962 . 11 1 1 A 82 82 GLY CA C 79 47.629 47.094 0.535 1
1 963 . 11 1 1 A 82 82 GLY N N 79 109.312 107.907 1.405 1
1 964 . 11 1 1 A 83 83 GLU H H 80 8.747 8.165 0.582 1
1 965 . 11 1 1 A 83 83 GLU HA H 80 3.972 4.060 -0.088 1
1 970 . 11 1 1 A 83 83 GLU C C 80 179.046 179.082 -0.036 1
1 971 . 11 1 1 A 83 83 GLU CA C 80 59.403 59.155 0.248 1
1 972 . 11 1 1 A 83 83 GLU CB C 80 29.005 29.334 -0.329 1
1 974 . 11 1 1 A 83 83 GLU N N 80 119.416 121.350 -1.934 1
1 975 . 11 1 1 A 84 84 GLU H H 81 7.588 8.185 -0.597 1
1 976 . 11 1 1 A 84 84 GLU HA H 81 4.003 4.075 -0.072 1
1 981 . 11 1 1 A 84 84 GLU C C 81 179.682 179.438 0.244 1
1 982 . 11 1 1 A 84 84 GLU CA C 81 59.213 59.228 -0.015 1
1 983 . 11 1 1 A 84 84 GLU CB C 81 29.473 29.506 -0.033 1
1 985 . 11 1 1 A 84 84 GLU N N 81 120.110 119.698 0.412 1
1 986 . 11 1 1 A 85 85 ILE H H 82 6.936 7.905 -0.969 1
1 987 . 11 1 1 A 85 85 ILE HA H 82 3.356 3.569 -0.213 1
1 997 . 11 1 1 A 85 85 ILE C C 82 177.308 177.898 -0.590 1
1 998 . 11 1 1 A 85 85 ILE CA C 82 64.055 65.853 -1.798 1
1 999 . 11 1 1 A 85 85 ILE CB C 82 36.836 38.353 -1.517 1
1 1003 . 11 1 1 A 85 85 ILE N N 82 120.268 121.576 -1.308 1
1 1004 . 11 1 1 A 86 86 ALA H H 83 8.292 8.390 -0.098 1
1 1005 . 11 1 1 A 86 86 ALA HA H 83 3.787 3.997 -0.210 1
1 1009 . 11 1 1 A 86 86 ALA C C 83 180.345 179.748 0.597 1
1 1010 . 11 1 1 A 86 86 ALA CA C 83 55.103 55.080 0.023 1
1 1011 . 11 1 1 A 86 86 ALA CB C 83 17.928 18.226 -0.298 1
1 1012 . 11 1 1 A 86 86 ALA N N 83 121.052 121.197 -0.145 1
1 1013 . 11 1 1 A 87 87 ALA H H 84 7.516 7.884 -0.368 1
1 1014 . 11 1 1 A 87 87 ALA HA H 84 4.006 4.093 -0.087 1
1 1018 . 11 1 1 A 87 87 ALA C C 84 180.272 179.424 0.848 1
1 1019 . 11 1 1 A 87 87 ALA CA C 84 54.765 55.021 -0.256 1
1 1020 . 11 1 1 A 87 87 ALA CB C 84 17.949 18.165 -0.216 1
1 1021 . 11 1 1 A 87 87 ALA N N 84 119.052 120.229 -1.177 1
1 1022 . 11 1 1 A 88 88 LEU H H 85 7.285 7.482 -0.197 1
1 1023 . 11 1 1 A 88 88 LEU HA H 85 4.042 4.145 -0.103 1
1 1033 . 11 1 1 A 88 88 LEU C C 85 174.921 178.586 -3.665 1
1 1034 . 11 1 1 A 88 88 LEU CA C 85 58.290 57.374 0.916 1
1 1035 . 11 1 1 A 88 88 LEU CB C 85 41.610 41.782 -0.172 1
1 1039 . 11 1 1 A 88 88 LEU N N 85 121.211 118.753 2.458 1
1 1040 . 11 1 1 A 89 89 LEU H H 86 8.472 8.306 0.166 1
1 1041 . 11 1 1 A 89 89 LEU HA H 86 3.486 3.814 -0.328 1
1 1051 . 11 1 1 A 89 89 LEU C C 86 178.855 179.733 -0.878 1
1 1052 . 11 1 1 A 89 89 LEU CA C 86 57.476 57.598 -0.122 1
1 1053 . 11 1 1 A 89 89 LEU CB C 86 41.478 41.364 0.114 1
1 1057 . 11 1 1 A 89 89 LEU N N 86 118.740 118.347 0.393 1
1 1058 . 11 1 1 A 90 90 GLU H H 87 7.926 8.644 -0.718 1
1 1059 . 11 1 1 A 90 90 GLU HA H 87 3.726 4.004 -0.278 1
1 1064 . 11 1 1 A 90 90 GLU C C 87 178.738 178.746 -0.008 1
1 1065 . 11 1 1 A 90 90 GLU CA C 87 59.511 58.891 0.620 1
1 1066 . 11 1 1 A 90 90 GLU CB C 87 28.855 28.651 0.204 1
1 1068 . 11 1 1 A 90 90 GLU N N 87 119.669 117.928 1.741 1
1 1069 . 11 1 1 A 91 91 ARG H H 88 7.069 7.722 -0.653 1
1 1070 . 11 1 1 A 91 91 ARG HA H 88 3.762 4.159 -0.397 1
1 1077 . 11 1 1 A 91 91 ARG C C 88 178.920 179.257 -0.337 1
1 1078 . 11 1 1 A 91 91 ARG CA C 88 59.544 59.536 0.008 1
1 1079 . 11 1 1 A 91 91 ARG CB C 88 29.723 30.441 -0.718 1
1 1082 . 11 1 1 A 91 91 ARG N N 88 119.088 119.650 -0.562 1
1 1083 . 11 1 1 A 92 92 GLU H H 89 8.170 8.182 -0.012 1
1 1084 . 11 1 1 A 92 92 GLU HA H 89 4.021 4.243 -0.222 1
1 1089 . 11 1 1 A 92 92 GLU C C 89 180.250 179.924 0.326 1
1 1090 . 11 1 1 A 92 92 GLU CA C 89 58.661 58.714 -0.053 1
1 1091 . 11 1 1 A 92 92 GLU CB C 89 28.073 29.113 -1.040 1
1 1093 . 11 1 1 A 92 92 GLU N N 89 117.768 119.366 -1.598 1
1 1094 . 11 1 1 A 93 93 ARG H H 90 8.355 7.988 0.367 1
1 1095 . 11 1 1 A 93 93 ARG HA H 90 4.003 4.114 -0.111 1
1 1102 . 11 1 1 A 93 93 ARG C C 90 177.592 178.539 -0.947 1
1 1103 . 11 1 1 A 93 93 ARG CA C 90 57.744 58.976 -1.232 1
1 1104 . 11 1 1 A 93 93 ARG CB C 90 30.325 29.904 0.421 1
1 1107 . 11 1 1 A 93 93 ARG N N 90 119.179 118.919 0.260 1
1 1108 . 11 1 1 A 94 94 ARG H H 91 7.232 7.948 -0.716 1
1 1109 . 11 1 1 A 94 94 ARG HA H 91 3.788 3.897 -0.109 1
1 1116 . 11 1 1 A 94 94 ARG C C 91 177.986 178.896 -0.910 1
1 1117 . 11 1 1 A 94 94 ARG CA C 91 58.462 58.912 -0.450 1
1 1118 . 11 1 1 A 94 94 ARG CB C 91 29.565 29.745 -0.180 1
1 1121 . 11 1 1 A 94 94 ARG N N 91 118.441 119.973 -1.532 1
1 1122 . 11 1 1 A 95 95 PHE H H 92 7.048 7.439 -0.391 1
1 1123 . 11 1 1 A 95 95 PHE HA H 92 4.474 4.280 0.194 1
1 1128 . 11 1 1 A 95 95 PHE C C 92 175.728 175.559 0.169 1
1 1129 . 11 1 1 A 95 95 PHE CA C 92 58.210 59.810 -1.600 1
1 1130 . 11 1 1 A 95 95 PHE CB C 92 39.724 39.470 0.254 1
1 1133 . 11 1 1 A 95 95 PHE N N 92 115.951 117.415 -1.464 1
1 1134 . 11 1 1 A 96 96 ASP H H 93 7.793 8.215 -0.422 1
1 1135 . 11 1 1 A 96 96 ASP HA H 93 4.703 4.872 -0.169 1
1 1138 . 11 1 1 A 96 96 ASP C C 93 179.474 175.913 3.561 1
1 1139 . 11 1 1 A 96 96 ASP CA C 93 53.103 52.991 0.112 1
1 1140 . 11 1 1 A 96 96 ASP CB C 93 41.634 41.886 -0.252 1
1 1141 . 11 1 1 A 96 96 ASP N N 93 119.328 119.183 0.145 1
1 1142 . 11 1 1 A 97 97 SER H H 94 8.490 9.020 -0.530 1
1 1143 . 11 1 1 A 97 97 SER HA H 94 4.204 4.405 -0.201 1
1 1146 . 11 1 1 A 97 97 SER C C 94 175.549 175.178 0.371 1
1 1147 . 11 1 1 A 97 97 SER CA C 94 60.047 59.736 0.311 1
1 1148 . 11 1 1 A 97 97 SER CB C 94 63.408 62.905 0.503 1
1 1149 . 11 1 1 A 97 97 SER N N 94 118.740 120.556 -1.816 1
1 1150 . 11 1 1 A 98 98 ASP H H 95 8.229 8.223 0.006 1
1 1151 . 11 1 1 A 98 98 ASP HA H 95 4.684 4.540 0.144 1
1 1154 . 11 1 1 A 98 98 ASP C C 95 175.547 176.474 -0.927 1
1 1155 . 11 1 1 A 98 98 ASP CA C 95 54.380 54.753 -0.373 1
1 1156 . 11 1 1 A 98 98 ASP CB C 95 42.267 40.010 2.257 1
1 1157 . 11 1 1 A 98 98 ASP N N 95 121.306 117.457 3.849 1
1 1158 . 11 1 1 A 99 99 LEU H H 96 6.613 7.485 -0.872 1
1 1159 . 11 1 1 A 99 99 LEU HA H 96 4.801 5.154 -0.353 1
1 1169 . 11 1 1 A 99 99 LEU C C 96 176.224 176.406 -0.182 1
1 1170 . 11 1 1 A 99 99 LEU CA C 96 55.691 54.165 1.526 1
1 1171 . 11 1 1 A 99 99 LEU CB C 96 42.272 43.419 -1.147 1
1 1175 . 11 1 1 A 99 99 LEU N N 96 117.774 116.981 0.793 1
1 1176 . 11 1 1 A 100 100 TRP H H 97 9.750 9.494 0.256 1
1 1177 . 11 1 1 A 100 100 TRP HA H 97 4.757 5.527 -0.770 1
1 1186 . 11 1 1 A 100 100 TRP C C 97 176.737 175.607 1.130 1
1 1187 . 11 1 1 A 100 100 TRP CA C 97 55.634 56.088 -0.454 1
1 1188 . 11 1 1 A 100 100 TRP CB C 97 31.794 32.068 -0.274 1
1 1194 . 11 1 1 A 100 100 TRP N N 97 120.649 120.647 0.002 1
1 1196 . 11 1 1 A 101 101 VAL H H 98 9.096 8.702 0.394 1
1 1197 . 11 1 1 A 101 101 VAL HA H 98 5.018 5.458 -0.440 1
1 1205 . 11 1 1 A 101 101 VAL C C 98 175.816 174.867 0.949 1
1 1206 . 11 1 1 A 101 101 VAL CA C 98 61.998 61.432 0.566 1
1 1207 . 11 1 1 A 101 101 VAL CB C 98 34.180 34.222 -0.042 1
1 1210 . 11 1 1 A 101 101 VAL N N 98 117.960 120.718 -2.758 1
1 1211 . 11 1 1 A 102 102 VAL H H 99 9.113 8.922 0.191 1
1 1212 . 11 1 1 A 102 102 VAL HA H 99 4.546 4.833 -0.287 1
1 1220 . 11 1 1 A 102 102 VAL C C 99 173.388 174.968 -1.580 1
1 1221 . 11 1 1 A 102 102 VAL CA C 99 60.987 61.204 -0.217 1
1 1222 . 11 1 1 A 102 102 VAL CB C 99 34.654 34.809 -0.155 1
1 1225 . 11 1 1 A 102 102 VAL N N 99 129.775 127.829 1.946 1
1 1226 . 11 1 1 A 103 103 GLU H H 100 9.226 8.744 0.482 1
1 1227 . 11 1 1 A 103 103 GLU HA H 100 5.376 4.797 0.579 1
1 1232 . 11 1 1 A 103 103 GLU C C 100 175.058 176.207 -1.149 1
1 1233 . 11 1 1 A 103 103 GLU CA C 100 54.158 56.101 -1.943 1
1 1234 . 11 1 1 A 103 103 GLU CB C 100 31.835 30.350 1.485 1
1 1236 . 11 1 1 A 103 103 GLU N N 100 128.249 127.500 0.749 1
1 1237 . 11 1 1 A 104 104 ILE H H 101 9.141 9.121 0.020 1
1 1238 . 11 1 1 A 104 104 ILE HA H 101 5.021 5.185 -0.164 1
1 1248 . 11 1 1 A 104 104 ILE C C 101 173.727 174.062 -0.335 1
1 1249 . 11 1 1 A 104 104 ILE CA C 101 59.226 58.989 0.237 1
1 1250 . 11 1 1 A 104 104 ILE CB C 101 42.192 41.044 1.148 1
1 1254 . 11 1 1 A 104 104 ILE N N 101 118.638 120.880 -2.242 1
1 1255 . 11 1 1 A 105 105 GLU H H 102 9.018 9.094 -0.076 1
1 1256 . 11 1 1 A 105 105 GLU HA H 102 4.800 5.271 -0.471 1
1 1261 . 11 1 1 A 105 105 GLU C C 102 174.832 175.280 -0.448 1
1 1262 . 11 1 1 A 105 105 GLU CA C 102 55.362 54.938 0.424 1
1 1263 . 11 1 1 A 105 105 GLU CB C 102 31.160 31.724 -0.564 1
1 1265 . 11 1 1 A 105 105 GLU N N 102 125.842 124.528 1.314 1
1 1266 . 11 1 1 A 106 106 THR H H 103 7.678 8.550 -0.872 1
1 1267 . 11 1 1 A 106 106 THR HA H 103 4.424 4.893 -0.469 1
1 1272 . 11 1 1 A 106 106 THR C C 103 172.175 173.490 -1.315 1
1 1273 . 11 1 1 A 106 106 THR CA C 103 60.772 60.441 0.331 1
1 1274 . 11 1 1 A 106 106 THR CB C 103 67.599 69.961 -2.362 1
1 1276 . 11 1 1 A 106 106 THR N N 103 118.569 119.800 -1.231 1
1 1277 . 11 1 1 A 107 107 ASP H H 104 8.400 8.654 -0.254 1
1 1278 . 11 1 1 A 107 107 ASP HA H 104 4.635 4.520 0.115 1
1 1281 . 11 1 1 A 107 107 ASP C C 104 176.214 176.429 -0.215 1
1 1282 . 11 1 1 A 107 107 ASP CA C 104 55.771 57.203 -1.432 1
1 1283 . 11 1 1 A 107 107 ASP CB C 104 41.463 42.008 -0.545 1
1 1284 . 11 1 1 A 107 107 ASP N N 104 125.388 123.919 1.469 1
1 1285 . 11 1 1 A 108 108 GLU H H 105 7.995 7.220 0.775 1
1 1286 . 11 1 1 A 108 108 GLU HA H 105 4.524 4.700 -0.176 1
1 1291 . 11 1 1 A 108 108 GLU C C 105 175.340 175.899 -0.559 1
1 1292 . 11 1 1 A 108 108 GLU CA C 105 54.564 54.746 -0.182 1
1 1293 . 11 1 1 A 108 108 GLU CB C 105 30.953 31.094 -0.141 1
1 1295 . 11 1 1 A 108 108 GLU N N 105 120.222 115.913 4.309 1
1 1296 . 11 1 1 A 109 109 ILE H H 106 8.389 8.646 -0.257 1
1 1297 . 11 1 1 A 109 109 ILE HA H 106 3.853 4.197 -0.344 1
1 1307 . 11 1 1 A 109 109 ILE C C 106 176.324 177.552 -1.228 1
1 1308 . 11 1 1 A 109 109 ILE CA C 106 60.148 62.045 -1.897 1
1 1309 . 11 1 1 A 109 109 ILE CB C 106 38.950 41.127 -2.177 1
1 1313 . 11 1 1 A 109 109 ILE N N 106 124.088 122.714 1.374 1
1 1314 . 11 1 1 A 110 110 GLY H H 107 8.534 8.540 -0.006 1
1 1315 . 11 1 1 A 110 110 GLY HA2 H 107 3.744 3.678 0.066 1
1 1316 . 11 1 1 A 110 110 GLY HA3 H 107 3.705 3.706 -0.001 1
1 1317 . 11 1 1 A 110 110 GLY C C 107 175.021 175.990 -0.969 1
1 1318 . 11 1 1 A 110 110 GLY CA C 107 46.530 47.525 -0.995 1
1 1319 . 11 1 1 A 110 110 GLY N N 107 109.224 109.305 -0.081 1
1 1320 . 11 1 1 A 111 111 THR H H 108 7.892 7.966 -0.074 1
1 1321 . 11 1 1 A 111 111 THR HA H 108 4.255 4.072 0.183 1
1 1326 . 11 1 1 A 111 111 THR C C 108 175.417 175.549 -0.132 1
1 1327 . 11 1 1 A 111 111 THR CA C 108 61.287 64.878 -3.591 1
1 1328 . 11 1 1 A 111 111 THR CB C 108 68.657 68.719 -0.062 1
1 1330 . 11 1 1 A 111 111 THR N N 108 111.278 116.591 -5.313 1
1 1331 . 11 1 1 A 112 112 LEU H H 109 7.950 7.384 0.566 1
1 1332 . 11 1 1 A 112 112 LEU HA H 109 3.887 4.602 -0.715 1
1 1342 . 11 1 1 A 112 112 LEU C C 109 175.715 176.036 -0.321 1
1 1343 . 11 1 1 A 112 112 LEU CA C 109 56.661 54.175 2.486 1
1 1344 . 11 1 1 A 112 112 LEU CB C 109 43.310 42.870 0.440 1
1 1348 . 11 1 1 A 112 112 LEU N N 109 122.017 113.755 8.262 1
1 1349 . 11 1 1 A 113 113 LEU H H 110 7.003 7.166 -0.163 1
1 1350 . 11 1 1 A 113 113 LEU HA H 110 4.327 4.498 -0.171 1
1 1360 . 11 1 1 A 113 113 LEU C C 110 175.563 174.194 1.369 1
1 1361 . 11 1 1 A 113 113 LEU CA C 110 52.377 54.300 -1.923 1
1 1362 . 11 1 1 A 113 113 LEU CB C 110 44.890 44.529 0.361 1
1 1366 . 11 1 1 A 113 113 LEU N N 110 113.184 119.871 -6.687 1
1 1367 . 11 1 1 A 114 114 THR H H 111 9.101 8.754 0.347 1
1 1368 . 11 1 1 A 114 114 THR HA H 111 4.079 4.659 -0.580 1
1 1373 . 11 1 1 A 114 114 THR C C 111 173.117 174.043 -0.926 1
1 1374 . 11 1 1 A 114 114 THR CA C 111 62.838 62.526 0.312 1
1 1375 . 11 1 1 A 114 114 THR CB C 111 68.245 70.032 -1.787 1
1 1377 . 11 1 1 A 114 114 THR N N 111 119.602 122.755 -3.153 1
1 1378 . 11 1 1 A 115 115 LEU H H 112 8.461 8.552 -0.091 1
1 1379 . 11 1 1 A 115 115 LEU HA H 112 4.985 5.358 -0.373 1
1 1389 . 11 1 1 A 115 115 LEU C C 112 178.488 177.253 1.235 1
1 1390 . 11 1 1 A 115 115 LEU CA C 112 52.953 53.529 -0.576 1
1 1391 . 11 1 1 A 115 115 LEU CB C 112 43.316 45.351 -2.035 1
1 1395 . 11 1 1 A 115 115 LEU N N 112 129.372 125.772 3.600 1
1 1396 . 11 1 1 A 116 116 VAL H H 113 8.550 8.946 -0.396 1
1 1397 . 11 1 1 A 116 116 VAL HA H 113 4.141 4.019 0.122 1
1 1405 . 11 1 1 A 116 116 VAL C C 113 175.638 177.385 -1.747 1
1 1406 . 11 1 1 A 116 116 VAL CA C 113 61.559 64.545 -2.986 1
1 1407 . 11 1 1 A 116 116 VAL CB C 113 32.128 31.796 0.332 1
1 1410 . 11 1 1 A 116 116 VAL N N 113 117.300 120.834 -3.534 1
1 1411 . 11 1 1 A 117 117 ASP H H 114 8.095 8.108 -0.013 1
1 1412 . 11 1 1 A 117 117 ASP HA H 114 4.561 4.505 0.056 1
1 1415 . 11 1 1 A 117 117 ASP C C 114 175.610 176.385 -0.775 1
1 1416 . 11 1 1 A 117 117 ASP CA C 114 53.586 56.733 -3.147 1
1 1417 . 11 1 1 A 117 117 ASP CB C 114 41.131 41.521 -0.390 1
1 1418 . 11 1 1 A 117 117 ASP N N 114 121.410 121.109 0.301 1
1 1419 . 11 1 1 A 118 118 GLN H H 115 8.048 7.896 0.152 1
1 1420 . 11 1 1 A 118 118 GLN HA H 115 4.539 4.553 -0.014 1
1 1427 . 11 1 1 A 118 118 GLN CA C 115 53.464 53.349 0.115 1
1 1428 . 11 1 1 A 118 118 GLN CB C 115 29.143 28.896 0.247 1
1 1430 . 11 1 1 A 118 118 GLN N N 115 120.387 117.662 2.725 1
1 1432 . 11 1 1 A 119 119 PRO HA H 116 4.314 4.685 -0.371 1
1 1439 . 11 1 1 A 119 119 PRO C C 116 176.819 177.047 -0.228 1
1 1440 . 11 1 1 A 119 119 PRO CA C 116 63.073 62.694 0.379 1
1 1441 . 11 1 1 A 119 119 PRO CB C 116 32.117 32.704 -0.587 1
1 1444 . 11 1 1 A 120 120 GLN H H 117 8.404 8.948 -0.544 1
1 1445 . 11 1 1 A 120 120 GLN HA H 117 4.172 4.091 0.081 1
1 1452 . 11 1 1 A 120 120 GLN C C 117 174.745 175.992 -1.247 1
1 1453 . 11 1 1 A 120 120 GLN CA C 117 55.531 57.809 -2.278 1
1 1454 . 11 1 1 A 120 120 GLN CB C 117 29.529 30.106 -0.577 1
1 1456 . 11 1 1 A 120 120 GLN N N 117 121.403 120.943 0.460 1
1 14 . 12 1 1 A 5 5 ARG H H 2 8.281 7.926 0.355 1
1 15 . 12 1 1 A 5 5 ARG HA H 2 4.126 3.916 0.210 1
1 22 . 12 1 1 A 5 5 ARG C C 2 176.387 174.904 1.483 1
1 23 . 12 1 1 A 5 5 ARG CA C 2 56.556 56.739 -0.183 1
1 24 . 12 1 1 A 5 5 ARG CB C 2 30.698 28.033 2.665 1
1 27 . 12 1 1 A 5 5 ARG N N 2 123.269 116.610 6.659 1
1 28 . 12 1 1 A 6 6 LEU H H 3 8.527 7.857 0.670 1
1 29 . 12 1 1 A 6 6 LEU HA H 3 4.414 5.073 -0.659 1
1 39 . 12 1 1 A 6 6 LEU C C 3 178.040 175.945 2.095 1
1 40 . 12 1 1 A 6 6 LEU CA C 3 54.270 52.569 1.701 1
1 41 . 12 1 1 A 6 6 LEU CB C 3 43.612 45.727 -2.115 1
1 45 . 12 1 1 A 6 6 LEU N N 3 125.588 116.153 9.435 1
1 46 . 12 1 1 A 7 7 LYS H H 4 8.646 8.510 0.136 1
1 47 . 12 1 1 A 7 7 LYS HA H 4 4.524 4.462 0.062 1
1 56 . 12 1 1 A 7 7 LYS C C 4 178.029 177.464 0.565 1
1 57 . 12 1 1 A 7 7 LYS CA C 4 57.051 55.398 1.653 1
1 58 . 12 1 1 A 7 7 LYS CB C 4 32.877 33.096 -0.219 1
1 62 . 12 1 1 A 7 7 LYS N N 4 123.765 117.293 6.472 1
1 63 . 12 1 1 A 8 8 SER H H 5 8.316 8.318 -0.002 1
1 64 . 12 1 1 A 8 8 SER HA H 5 3.720 3.922 -0.202 1
1 67 . 12 1 1 A 8 8 SER C C 5 174.858 176.258 -1.400 1
1 68 . 12 1 1 A 8 8 SER CA C 5 63.553 61.992 1.561 1
1 69 . 12 1 1 A 8 8 SER CB C 5 62.382 62.507 -0.125 1
1 70 . 12 1 1 A 8 8 SER N N 5 122.163 114.894 7.269 1
1 71 . 12 1 1 A 9 9 GLU H H 6 8.913 8.018 0.895 1
1 72 . 12 1 1 A 9 9 GLU HA H 6 3.401 3.199 0.202 1
1 77 . 12 1 1 A 9 9 GLU C C 6 177.494 178.434 -0.940 1
1 78 . 12 1 1 A 9 9 GLU CA C 6 59.824 58.820 1.004 1
1 79 . 12 1 1 A 9 9 GLU CB C 6 29.780 28.616 1.164 1
1 81 . 12 1 1 A 9 9 GLU N N 6 118.372 121.566 -3.194 1
1 82 . 12 1 1 A 10 10 MET H H 7 6.642 8.061 -1.419 1
1 83 . 12 1 1 A 10 10 MET HA H 7 4.200 4.129 0.071 1
1 91 . 12 1 1 A 10 10 MET C C 7 178.173 178.306 -0.133 1
1 92 . 12 1 1 A 10 10 MET CA C 7 57.360 58.340 -0.980 1
1 93 . 12 1 1 A 10 10 MET CB C 7 32.761 32.184 0.577 1
1 96 . 12 1 1 A 10 10 MET N N 7 117.318 119.001 -1.683 1
1 97 . 12 1 1 A 11 11 PHE H H 8 8.432 7.552 0.880 1
1 98 . 12 1 1 A 11 11 PHE HA H 8 3.718 4.123 -0.405 1
1 105 . 12 1 1 A 11 11 PHE C C 8 177.603 177.390 0.213 1
1 106 . 12 1 1 A 11 11 PHE CA C 8 61.845 61.263 0.582 1
1 107 . 12 1 1 A 11 11 PHE CB C 8 38.595 38.935 -0.340 1
1 112 . 12 1 1 A 11 11 PHE N N 8 122.099 120.912 1.187 1
1 113 . 12 1 1 A 12 12 VAL H H 9 8.133 7.829 0.304 1
1 114 . 12 1 1 A 12 12 VAL HA H 9 3.021 3.814 -0.793 1
1 122 . 12 1 1 A 12 12 VAL C C 9 176.668 177.969 -1.301 1
1 123 . 12 1 1 A 12 12 VAL CA C 9 67.353 65.351 2.002 1
1 124 . 12 1 1 A 12 12 VAL CB C 9 31.238 31.666 -0.428 1
1 127 . 12 1 1 A 12 12 VAL N N 9 119.317 118.996 0.321 1
1 128 . 12 1 1 A 13 13 SER H H 10 7.750 7.853 -0.103 1
1 129 . 12 1 1 A 13 13 SER HA H 10 3.905 4.031 -0.126 1
1 132 . 12 1 1 A 13 13 SER C C 10 176.947 176.611 0.336 1
1 133 . 12 1 1 A 13 13 SER CA C 10 61.775 62.030 -0.255 1
1 134 . 12 1 1 A 13 13 SER CB C 10 62.483 62.776 -0.293 1
1 135 . 12 1 1 A 13 13 SER N N 10 114.115 117.142 -3.027 1
1 136 . 12 1 1 A 14 14 ALA H H 11 7.776 7.239 0.537 1
1 137 . 12 1 1 A 14 14 ALA HA H 11 3.860 4.046 -0.186 1
1 141 . 12 1 1 A 14 14 ALA C C 11 179.154 179.601 -0.447 1
1 142 . 12 1 1 A 14 14 ALA CA C 11 54.811 54.787 0.024 1
1 143 . 12 1 1 A 14 14 ALA CB C 11 17.641 18.202 -0.561 1
1 144 . 12 1 1 A 14 14 ALA N N 11 123.170 123.558 -0.388 1
1 145 . 12 1 1 A 15 15 LEU H H 12 7.732 7.897 -0.165 1
1 146 . 12 1 1 A 15 15 LEU HA H 12 3.636 3.778 -0.142 1
1 156 . 12 1 1 A 15 15 LEU C C 12 177.617 178.653 -1.036 1
1 157 . 12 1 1 A 15 15 LEU CA C 12 57.790 57.451 0.339 1
1 158 . 12 1 1 A 15 15 LEU CB C 12 41.352 41.260 0.092 1
1 162 . 12 1 1 A 15 15 LEU N N 12 121.171 119.581 1.590 1
1 163 . 12 1 1 A 16 16 ILE H H 13 8.037 7.873 0.164 1
1 164 . 12 1 1 A 16 16 ILE HA H 13 3.061 3.579 -0.518 1
1 174 . 12 1 1 A 16 16 ILE C C 13 177.708 178.635 -0.927 1
1 175 . 12 1 1 A 16 16 ILE CA C 13 65.872 64.902 0.970 1
1 176 . 12 1 1 A 16 16 ILE CB C 13 37.704 37.319 0.385 1
1 180 . 12 1 1 A 16 16 ILE N N 13 117.849 119.969 -2.120 1
1 181 . 12 1 1 A 17 17 ARG H H 14 7.537 7.656 -0.119 1
1 182 . 12 1 1 A 17 17 ARG HA H 14 3.980 4.143 -0.163 1
1 189 . 12 1 1 A 17 17 ARG C C 14 179.876 178.983 0.893 1
1 190 . 12 1 1 A 17 17 ARG CA C 14 59.920 59.124 0.796 1
1 191 . 12 1 1 A 17 17 ARG CB C 14 29.995 29.659 0.336 1
1 194 . 12 1 1 A 17 17 ARG N N 14 117.366 120.837 -3.471 1
1 195 . 12 1 1 A 18 18 ARG H H 15 8.068 7.807 0.261 1
1 196 . 12 1 1 A 18 18 ARG HA H 15 3.868 3.993 -0.125 1
1 203 . 12 1 1 A 18 18 ARG C C 15 176.630 178.988 -2.358 1
1 204 . 12 1 1 A 18 18 ARG CA C 15 59.606 59.412 0.194 1
1 205 . 12 1 1 A 18 18 ARG CB C 15 30.327 30.398 -0.071 1
1 208 . 12 1 1 A 18 18 ARG N N 15 119.713 119.639 0.074 1
1 209 . 12 1 1 A 19 19 VAL H H 16 8.259 7.532 0.727 1
1 210 . 12 1 1 A 19 19 VAL HA H 16 3.296 3.712 -0.416 1
1 218 . 12 1 1 A 19 19 VAL C C 16 177.306 178.053 -0.747 1
1 219 . 12 1 1 A 19 19 VAL CA C 16 66.667 65.492 1.175 1
1 220 . 12 1 1 A 19 19 VAL CB C 16 30.421 31.460 -1.039 1
1 223 . 12 1 1 A 19 19 VAL N N 16 121.385 116.802 4.583 1
1 224 . 12 1 1 A 20 20 PHE H H 17 8.014 7.718 0.296 1
1 225 . 12 1 1 A 20 20 PHE HA H 17 4.222 4.220 0.002 1
1 233 . 12 1 1 A 20 20 PHE C C 17 180.973 177.946 3.027 1
1 234 . 12 1 1 A 20 20 PHE CA C 17 61.988 61.825 0.163 1
1 235 . 12 1 1 A 20 20 PHE CB C 17 38.553 37.764 0.789 1
1 241 . 12 1 1 A 20 20 PHE N N 17 118.811 119.882 -1.071 1
1 242 . 12 1 1 A 21 21 ALA H H 18 8.192 8.101 0.091 1
1 243 . 12 1 1 A 21 21 ALA HA H 18 4.096 3.963 0.133 1
1 247 . 12 1 1 A 21 21 ALA C C 18 178.425 179.892 -1.467 1
1 248 . 12 1 1 A 21 21 ALA CA C 18 54.716 55.249 -0.533 1
1 249 . 12 1 1 A 21 21 ALA CB C 18 17.752 18.058 -0.306 1
1 250 . 12 1 1 A 21 21 ALA N N 18 122.995 122.054 0.941 1
1 251 . 12 1 1 A 22 22 ALA H H 19 7.256 7.449 -0.193 1
1 252 . 12 1 1 A 22 22 ALA HA H 19 4.356 4.245 0.111 1
1 256 . 12 1 1 A 22 22 ALA C C 19 177.665 177.446 0.219 1
1 257 . 12 1 1 A 22 22 ALA CA C 19 51.629 52.822 -1.193 1
1 258 . 12 1 1 A 22 22 ALA CB C 19 18.554 19.547 -0.993 1
1 259 . 12 1 1 A 22 22 ALA N N 19 118.872 117.739 1.133 1
1 260 . 12 1 1 A 23 23 GLY H H 20 7.774 7.918 -0.144 1
1 261 . 12 1 1 A 23 23 GLY HA2 H 20 4.207 4.048 0.159 1
1 262 . 12 1 1 A 23 23 GLY HA3 H 20 3.762 4.077 -0.315 1
1 263 . 12 1 1 A 23 23 GLY C C 20 174.779 175.178 -0.399 1
1 264 . 12 1 1 A 23 23 GLY CA C 20 45.347 45.417 -0.070 1
1 265 . 12 1 1 A 23 23 GLY N N 20 106.718 106.283 0.435 1
1 266 . 12 1 1 A 24 24 GLY H H 21 7.795 7.750 0.045 1
1 267 . 12 1 1 A 24 24 GLY HA2 H 21 4.538 3.948 0.590 1
1 268 . 12 1 1 A 24 24 GLY HA3 H 21 3.306 3.987 -0.681 1
1 269 . 12 1 1 A 24 24 GLY C C 21 171.187 172.008 -0.821 1
1 270 . 12 1 1 A 24 24 GLY CA C 21 43.665 44.533 -0.868 1
1 271 . 12 1 1 A 24 24 GLY N N 21 108.369 107.927 0.442 1
1 272 . 12 1 1 A 25 25 PHE H H 22 7.340 8.703 -1.363 1
1 273 . 12 1 1 A 25 25 PHE HA H 22 3.784 4.279 -0.495 1
1 280 . 12 1 1 A 25 25 PHE C C 22 172.423 173.948 -1.525 1
1 281 . 12 1 1 A 25 25 PHE CA C 22 56.434 55.970 0.464 1
1 282 . 12 1 1 A 25 25 PHE CB C 22 42.819 42.701 0.118 1
1 287 . 12 1 1 A 25 25 PHE N N 22 117.754 120.534 -2.780 1
1 288 . 12 1 1 A 26 26 ALA H H 23 5.579 7.705 -2.126 1
1 289 . 12 1 1 A 26 26 ALA HA H 23 4.943 5.131 -0.188 1
1 293 . 12 1 1 A 26 26 ALA C C 23 173.842 175.246 -1.404 1
1 294 . 12 1 1 A 26 26 ALA CA C 23 50.257 50.951 -0.694 1
1 295 . 12 1 1 A 26 26 ALA CB C 23 25.150 23.755 1.395 1
1 296 . 12 1 1 A 26 26 ALA N N 23 126.477 127.419 -0.942 1
1 297 . 12 1 1 A 27 27 ALA H H 24 8.723 8.305 0.418 1
1 298 . 12 1 1 A 27 27 ALA HA H 24 4.330 4.798 -0.468 1
1 302 . 12 1 1 A 27 27 ALA C C 24 175.543 175.956 -0.413 1
1 303 . 12 1 1 A 27 27 ALA CA C 24 51.545 51.878 -0.333 1
1 304 . 12 1 1 A 27 27 ALA CB C 24 22.974 22.512 0.462 1
1 305 . 12 1 1 A 27 27 ALA N N 24 118.178 119.943 -1.765 1
1 306 . 12 1 1 A 28 28 VAL H H 25 8.841 8.926 -0.085 1
1 307 . 12 1 1 A 28 28 VAL HA H 25 3.972 4.180 -0.208 1
1 315 . 12 1 1 A 28 28 VAL C C 25 175.547 175.653 -0.106 1
1 316 . 12 1 1 A 28 28 VAL CA C 25 64.153 63.573 0.580 1
1 317 . 12 1 1 A 28 28 VAL CB C 25 31.951 31.132 0.819 1
1 320 . 12 1 1 A 28 28 VAL N N 25 120.857 124.029 -3.172 1
1 321 . 12 1 1 A 29 29 GLU H H 26 8.595 9.151 -0.556 1
1 322 . 12 1 1 A 29 29 GLU HA H 26 4.275 4.451 -0.176 1
1 327 . 12 1 1 A 29 29 GLU C C 26 176.177 176.284 -0.107 1
1 328 . 12 1 1 A 29 29 GLU CA C 26 57.686 58.454 -0.768 1
1 329 . 12 1 1 A 29 29 GLU CB C 26 30.521 30.680 -0.159 1
1 331 . 12 1 1 A 29 29 GLU N N 26 132.091 127.896 4.195 1
1 332 . 12 1 1 A 30 30 LYS H H 27 8.163 7.371 0.792 1
1 333 . 12 1 1 A 30 30 LYS HA H 27 4.352 4.798 -0.446 1
1 342 . 12 1 1 A 30 30 LYS C C 27 174.232 174.908 -0.676 1
1 343 . 12 1 1 A 30 30 LYS CA C 27 55.370 55.208 0.162 1
1 344 . 12 1 1 A 30 30 LYS CB C 27 36.138 34.805 1.333 1
1 348 . 12 1 1 A 30 30 LYS N N 27 119.899 119.422 0.477 1
1 349 . 12 1 1 A 31 31 LYS H H 28 8.603 8.625 -0.022 1
1 350 . 12 1 1 A 31 31 LYS HA H 28 3.268 4.157 -0.889 1
1 359 . 12 1 1 A 31 31 LYS C C 28 175.170 174.746 0.424 1
1 360 . 12 1 1 A 31 31 LYS CA C 28 56.089 54.083 2.006 1
1 361 . 12 1 1 A 31 31 LYS CB C 28 32.386 35.708 -3.322 1
1 365 . 12 1 1 A 31 31 LYS N N 28 129.067 126.913 2.154 1
1 366 . 12 1 1 A 32 32 GLY H H 29 3.335 6.855 -3.520 1
1 367 . 12 1 1 A 32 32 GLY HA2 H 29 3.652 3.960 -0.308 1
1 368 . 12 1 1 A 32 32 GLY HA3 H 29 2.313 4.013 -1.700 1
1 369 . 12 1 1 A 32 32 GLY C C 29 172.863 173.271 -0.408 1
1 370 . 12 1 1 A 32 32 GLY CA C 29 43.344 44.289 -0.945 1
1 371 . 12 1 1 A 32 32 GLY N N 29 113.639 112.306 1.333 1
1 372 . 12 1 1 A 33 33 ALA H H 30 8.202 8.155 0.047 1
1 373 . 12 1 1 A 33 33 ALA HA H 30 4.173 4.450 -0.277 1
1 377 . 12 1 1 A 33 33 ALA C C 30 181.026 178.585 2.441 1
1 378 . 12 1 1 A 33 33 ALA CA C 30 52.674 52.592 0.082 1
1 379 . 12 1 1 A 33 33 ALA CB C 30 19.020 18.934 0.086 1
1 380 . 12 1 1 A 33 33 ALA N N 30 121.182 125.380 -4.198 1
1 381 . 12 1 1 A 34 34 GLU H H 31 9.313 9.122 0.191 1
1 382 . 12 1 1 A 34 34 GLU HA H 31 4.130 4.326 -0.196 1
1 387 . 12 1 1 A 34 34 GLU C C 31 177.137 178.701 -1.564 1
1 388 . 12 1 1 A 34 34 GLU CA C 31 61.214 59.303 1.911 1
1 389 . 12 1 1 A 34 34 GLU CB C 31 29.947 29.742 0.205 1
1 391 . 12 1 1 A 34 34 GLU N N 31 126.206 125.672 0.534 1
1 392 . 12 1 1 A 35 35 ALA H H 32 8.614 7.975 0.639 1
1 393 . 12 1 1 A 35 35 ALA HA H 32 4.377 4.233 0.144 1
1 397 . 12 1 1 A 35 35 ALA C C 32 180.260 178.052 2.208 1
1 398 . 12 1 1 A 35 35 ALA CA C 32 55.118 54.833 0.285 1
1 399 . 12 1 1 A 35 35 ALA CB C 32 18.192 19.160 -0.968 1
1 400 . 12 1 1 A 35 35 ALA N N 32 119.251 121.797 -2.546 1
1 401 . 12 1 1 A 36 36 ALA H H 33 8.467 7.915 0.552 1
1 402 . 12 1 1 A 36 36 ALA HA H 33 4.612 4.476 0.136 1
1 406 . 12 1 1 A 36 36 ALA C C 33 177.468 177.383 0.085 1
1 407 . 12 1 1 A 36 36 ALA CA C 33 51.190 51.211 -0.021 1
1 408 . 12 1 1 A 36 36 ALA CB C 33 19.451 19.157 0.294 1
1 409 . 12 1 1 A 36 36 ALA N N 33 120.927 116.665 4.262 1
1 410 . 12 1 1 A 37 37 GLY H H 34 7.445 7.912 -0.467 1
1 411 . 12 1 1 A 37 37 GLY HA2 H 34 4.143 4.164 -0.021 1
1 412 . 12 1 1 A 37 37 GLY HA3 H 34 4.010 4.289 -0.279 1
1 413 . 12 1 1 A 37 37 GLY C C 34 174.885 173.438 1.447 1
1 414 . 12 1 1 A 37 37 GLY CA C 34 46.790 45.094 1.696 1
1 415 . 12 1 1 A 37 37 GLY N N 34 105.715 106.996 -1.281 1
1 416 . 12 1 1 A 38 38 ALA H H 35 9.722 8.334 1.388 1
1 417 . 12 1 1 A 38 38 ALA HA H 35 4.053 4.461 -0.408 1
1 421 . 12 1 1 A 38 38 ALA CA C 35 52.676 51.796 0.880 1
1 422 . 12 1 1 A 38 38 ALA CB C 35 20.069 19.962 0.107 1
1 423 . 12 1 1 A 38 38 ALA N N 35 131.782 121.866 9.916 1
1 424 . 12 1 1 A 39 39 ILE H H 36 7.776 8.516 -0.740 1
1 425 . 12 1 1 A 39 39 ILE HA H 36 4.533 4.941 -0.408 1
1 435 . 12 1 1 A 39 39 ILE C C 36 172.754 174.658 -1.904 1
1 436 . 12 1 1 A 39 39 ILE CA C 36 61.429 60.820 0.609 1
1 437 . 12 1 1 A 39 39 ILE CB C 36 40.275 40.620 -0.345 1
1 441 . 12 1 1 A 39 39 ILE N N 36 119.692 121.180 -1.488 1
1 442 . 12 1 1 A 40 40 PHE H H 37 8.513 9.333 -0.820 1
1 443 . 12 1 1 A 40 40 PHE HA H 37 5.242 5.661 -0.419 1
1 448 . 12 1 1 A 40 40 PHE C C 37 175.559 174.468 1.091 1
1 449 . 12 1 1 A 40 40 PHE CA C 37 56.375 56.853 -0.478 1
1 450 . 12 1 1 A 40 40 PHE CB C 37 41.794 40.480 1.314 1
1 453 . 12 1 1 A 40 40 PHE N N 37 123.003 125.806 -2.803 1
1 454 . 12 1 1 A 41 41 VAL H H 38 8.898 9.035 -0.137 1
1 455 . 12 1 1 A 41 41 VAL HA H 38 4.981 5.038 -0.057 1
1 463 . 12 1 1 A 41 41 VAL C C 38 174.233 175.224 -0.991 1
1 464 . 12 1 1 A 41 41 VAL CA C 38 60.287 61.352 -1.065 1
1 465 . 12 1 1 A 41 41 VAL CB C 38 35.122 33.601 1.521 1
1 468 . 12 1 1 A 41 41 VAL N N 38 120.239 123.530 -3.291 1
1 469 . 12 1 1 A 42 42 ARG H H 39 9.399 9.049 0.350 1
1 470 . 12 1 1 A 42 42 ARG HA H 39 5.094 5.269 -0.175 1
1 478 . 12 1 1 A 42 42 ARG C C 39 173.198 174.676 -1.478 1
1 479 . 12 1 1 A 42 42 ARG CA C 39 54.067 55.006 -0.939 1
1 480 . 12 1 1 A 42 42 ARG CB C 39 33.430 32.198 1.232 1
1 483 . 12 1 1 A 42 42 ARG N N 39 129.107 125.965 3.142 1
1 485 . 12 1 1 A 43 43 GLN H H 40 9.402 8.778 0.624 1
1 486 . 12 1 1 A 43 43 GLN HA H 40 5.371 4.772 0.599 1
1 493 . 12 1 1 A 43 43 GLN C C 40 174.278 174.954 -0.676 1
1 494 . 12 1 1 A 43 43 GLN CA C 40 52.778 55.811 -3.033 1
1 495 . 12 1 1 A 43 43 GLN CB C 40 31.703 29.953 1.750 1
1 497 . 12 1 1 A 43 43 GLN N N 40 127.936 124.355 3.581 1
1 499 . 12 1 1 A 44 44 ARG H H 41 8.875 8.718 0.157 1
1 500 . 12 1 1 A 44 44 ARG HA H 41 4.488 5.215 -0.727 1
1 507 . 12 1 1 A 44 44 ARG C C 41 175.417 175.232 0.185 1
1 508 . 12 1 1 A 44 44 ARG CA C 41 56.319 54.511 1.808 1
1 509 . 12 1 1 A 44 44 ARG CB C 41 31.231 33.641 -2.410 1
1 512 . 12 1 1 A 44 44 ARG N N 41 127.617 126.387 1.230 1
1 513 . 12 1 1 A 45 45 LEU H H 42 8.494 8.778 -0.284 1
1 514 . 12 1 1 A 45 45 LEU HA H 42 4.480 4.708 -0.228 1
1 524 . 12 1 1 A 45 45 LEU C C 42 179.893 178.146 1.747 1
1 525 . 12 1 1 A 45 45 LEU CA C 42 53.972 53.771 0.201 1
1 526 . 12 1 1 A 45 45 LEU CB C 42 42.206 42.661 -0.455 1
1 530 . 12 1 1 A 45 45 LEU N N 42 125.380 127.493 -2.113 1
1 531 . 12 1 1 A 46 46 ARG H H 43 9.223 8.932 0.291 1
1 532 . 12 1 1 A 46 46 ARG HA H 43 3.929 4.099 -0.170 1
1 539 . 12 1 1 A 46 46 ARG C C 43 177.114 178.059 -0.945 1
1 540 . 12 1 1 A 46 46 ARG CA C 43 58.773 58.850 -0.077 1
1 541 . 12 1 1 A 46 46 ARG CB C 43 29.688 29.939 -0.251 1
1 544 . 12 1 1 A 46 46 ARG N N 43 121.380 121.485 -0.105 1
1 545 . 12 1 1 A 47 47 ASP H H 44 7.727 7.973 -0.246 1
1 546 . 12 1 1 A 47 47 ASP HA H 44 4.373 4.533 -0.160 1
1 549 . 12 1 1 A 47 47 ASP C C 44 177.125 176.592 0.533 1
1 550 . 12 1 1 A 47 47 ASP CA C 44 53.256 54.334 -1.078 1
1 551 . 12 1 1 A 47 47 ASP CB C 44 39.993 40.984 -0.991 1
1 552 . 12 1 1 A 47 47 ASP N N 44 115.801 118.391 -2.590 1
1 553 . 12 1 1 A 48 48 GLY H H 45 7.878 7.996 -0.118 1
1 554 . 12 1 1 A 48 48 GLY HA2 H 45 4.237 3.853 0.384 1
1 555 . 12 1 1 A 48 48 GLY HA3 H 45 3.531 3.854 -0.323 1
1 556 . 12 1 1 A 48 48 GLY C C 45 175.041 174.031 1.010 1
1 557 . 12 1 1 A 48 48 GLY CA C 45 45.289 45.905 -0.616 1
1 558 . 12 1 1 A 48 48 GLY N N 45 108.005 108.474 -0.469 1
1 559 . 12 1 1 A 49 49 ARG H H 46 7.696 7.907 -0.211 1
1 560 . 12 1 1 A 49 49 ARG HA H 46 4.309 4.693 -0.384 1
1 567 . 12 1 1 A 49 49 ARG C C 46 174.199 175.026 -0.827 1
1 568 . 12 1 1 A 49 49 ARG CA C 46 55.909 54.594 1.315 1
1 569 . 12 1 1 A 49 49 ARG CB C 46 31.226 32.522 -1.296 1
1 572 . 12 1 1 A 49 49 ARG N N 46 120.601 119.311 1.290 1
1 573 . 12 1 1 A 50 50 GLU H H 47 8.885 8.548 0.337 1
1 574 . 12 1 1 A 50 50 GLU HA H 47 5.381 5.445 -0.064 1
1 579 . 12 1 1 A 50 50 GLU C C 47 175.590 175.270 0.320 1
1 580 . 12 1 1 A 50 50 GLU CA C 47 55.057 54.519 0.538 1
1 581 . 12 1 1 A 50 50 GLU CB C 47 35.650 34.311 1.339 1
1 583 . 12 1 1 A 50 50 GLU N N 47 116.439 118.640 -2.201 1
1 584 . 12 1 1 A 51 51 ASN H H 48 8.683 8.642 0.041 1
1 585 . 12 1 1 A 51 51 ASN HA H 48 5.153 5.433 -0.280 1
1 590 . 12 1 1 A 51 51 ASN C C 48 173.562 173.879 -0.317 1
1 591 . 12 1 1 A 51 51 ASN CA C 48 50.361 51.747 -1.386 1
1 592 . 12 1 1 A 51 51 ASN CB C 48 41.823 42.537 -0.714 1
1 593 . 12 1 1 A 51 51 ASN N N 48 114.752 118.037 -3.285 1
1 595 . 12 1 1 A 52 52 LEU H H 49 8.847 8.701 0.146 1
1 596 . 12 1 1 A 52 52 LEU HA H 49 5.274 4.969 0.305 1
1 606 . 12 1 1 A 52 52 LEU C C 49 174.213 173.510 0.703 1
1 607 . 12 1 1 A 52 52 LEU CA C 49 52.889 53.325 -0.436 1
1 608 . 12 1 1 A 52 52 LEU CB C 49 46.300 46.532 -0.232 1
1 612 . 12 1 1 A 52 52 LEU N N 49 120.365 122.906 -2.541 1
1 613 . 12 1 1 A 53 53 TYR H H 50 9.641 8.970 0.671 1
1 614 . 12 1 1 A 53 53 TYR HA H 50 5.519 5.565 -0.046 1
1 621 . 12 1 1 A 53 53 TYR C C 50 175.473 175.510 -0.037 1
1 622 . 12 1 1 A 53 53 TYR CA C 50 55.928 55.539 0.389 1
1 623 . 12 1 1 A 53 53 TYR CB C 50 40.076 43.121 -3.045 1
1 628 . 12 1 1 A 53 53 TYR N N 50 127.507 124.501 3.006 1
1 629 . 12 1 1 A 54 54 GLY H H 51 8.893 8.520 0.373 1
1 630 . 12 1 1 A 54 54 GLY HA2 H 51 4.687 3.652 1.035 1
1 631 . 12 1 1 A 54 54 GLY HA3 H 51 3.127 3.835 -0.708 1
1 632 . 12 1 1 A 54 54 GLY CA C 51 44.040 44.516 -0.476 1
1 633 . 12 1 1 A 54 54 GLY N N 51 108.518 108.947 -0.429 1
1 634 . 12 1 1 A 55 55 PRO HA H 52 3.849 3.742 0.107 1
1 641 . 12 1 1 A 55 55 PRO C C 52 176.695 176.596 0.099 1
1 642 . 12 1 1 A 55 55 PRO CA C 52 63.187 61.886 1.301 1
1 643 . 12 1 1 A 55 55 PRO CB C 52 32.096 31.251 0.845 1
1 646 . 12 1 1 A 56 56 ALA H H 53 7.675 7.782 -0.107 1
1 647 . 12 1 1 A 56 56 ALA HA H 53 4.242 4.532 -0.290 1
1 651 . 12 1 1 A 56 56 ALA CA C 53 49.506 50.272 -0.766 1
1 652 . 12 1 1 A 56 56 ALA CB C 53 18.096 17.299 0.797 1
1 653 . 12 1 1 A 56 56 ALA N N 53 126.695 124.435 2.260 1
1 654 . 12 1 1 A 57 57 PRO HA H 54 4.186 4.575 -0.389 1
1 661 . 12 1 1 A 57 57 PRO C C 54 179.368 176.558 2.810 1
1 662 . 12 1 1 A 57 57 PRO CA C 54 63.116 62.846 0.270 1
1 663 . 12 1 1 A 57 57 PRO CB C 54 31.747 31.514 0.233 1
1 666 . 12 1 1 A 58 58 GLN H H 55 8.278 8.526 -0.248 1
1 667 . 12 1 1 A 58 58 GLN HA H 55 4.083 4.260 -0.177 1
1 674 . 12 1 1 A 58 58 GLN C C 55 175.368 175.472 -0.104 1
1 675 . 12 1 1 A 58 58 GLN CA C 55 55.635 56.480 -0.845 1
1 676 . 12 1 1 A 58 58 GLN CB C 55 29.927 29.251 0.676 1
1 678 . 12 1 1 A 58 58 GLN N N 55 121.313 122.657 -1.344 1
1 680 . 12 1 1 A 59 59 SER H H 56 8.182 8.739 -0.557 1
1 681 . 12 1 1 A 59 59 SER HA H 56 4.246 4.560 -0.314 1
1 684 . 12 1 1 A 59 59 SER C C 56 174.075 173.678 0.397 1
1 685 . 12 1 1 A 59 59 SER CA C 56 57.667 57.542 0.125 1
1 686 . 12 1 1 A 59 59 SER CB C 56 63.751 62.535 1.216 1
1 687 . 12 1 1 A 59 59 SER N N 56 117.615 122.545 -4.930 1
1 688 . 12 1 1 A 60 60 PHE H H 57 8.100 8.318 -0.218 1
1 689 . 12 1 1 A 60 60 PHE HA H 57 4.493 5.643 -1.150 1
1 696 . 12 1 1 A 60 60 PHE C C 57 175.439 173.074 2.365 1
1 697 . 12 1 1 A 60 60 PHE CA C 57 57.622 55.135 2.487 1
1 698 . 12 1 1 A 60 60 PHE CB C 57 39.519 42.159 -2.640 1
1 703 . 12 1 1 A 60 60 PHE N N 57 121.890 123.242 -1.352 1
1 704 . 12 1 1 A 61 61 ALA H H 58 8.234 8.682 -0.448 1
1 705 . 12 1 1 A 61 61 ALA HA H 58 4.165 4.799 -0.634 1
1 709 . 12 1 1 A 61 61 ALA C C 58 179.286 176.867 2.419 1
1 710 . 12 1 1 A 61 61 ALA CA C 58 52.471 51.099 1.372 1
1 711 . 12 1 1 A 61 61 ALA CB C 58 19.444 22.061 -2.617 1
1 712 . 12 1 1 A 61 61 ALA N N 58 124.383 121.422 2.961 1
1 713 . 12 1 1 A 62 62 ASP H H 59 8.017 9.502 -1.485 1
1 714 . 12 1 1 A 62 62 ASP HA H 59 4.412 4.373 0.039 1
1 717 . 12 1 1 A 62 62 ASP C C 59 176.073 174.807 1.266 1
1 718 . 12 1 1 A 62 62 ASP CA C 59 54.360 55.274 -0.914 1
1 719 . 12 1 1 A 62 62 ASP CB C 59 41.213 40.026 1.187 1
1 720 . 12 1 1 A 62 62 ASP N N 59 118.579 123.535 -4.956 1
1 721 . 12 1 1 A 63 63 ASP H H 60 8.096 8.696 -0.600 1
1 722 . 12 1 1 A 63 63 ASP HA H 60 4.346 4.274 0.072 1
1 725 . 12 1 1 A 63 63 ASP C C 60 176.619 175.713 0.906 1
1 726 . 12 1 1 A 63 63 ASP CA C 60 54.714 55.718 -1.004 1
1 727 . 12 1 1 A 63 63 ASP CB C 60 40.801 39.349 1.452 1
1 728 . 12 1 1 A 63 63 ASP N N 60 119.530 112.264 7.266 1
1 729 . 12 1 1 A 64 64 GLU H H 61 8.109 7.903 0.206 1
1 730 . 12 1 1 A 64 64 GLU HA H 61 4.012 4.162 -0.150 1
1 735 . 12 1 1 A 64 64 GLU C C 61 176.652 178.286 -1.634 1
1 736 . 12 1 1 A 64 64 GLU CA C 61 57.301 59.065 -1.764 1
1 737 . 12 1 1 A 64 64 GLU CB C 61 30.107 30.124 -0.017 1
1 739 . 12 1 1 A 64 64 GLU N N 61 120.050 118.243 1.807 1
1 740 . 12 1 1 A 65 65 ASP H H 62 8.062 8.366 -0.304 1
1 741 . 12 1 1 A 65 65 ASP HA H 62 4.369 4.510 -0.141 1
1 744 . 12 1 1 A 65 65 ASP C C 62 177.458 178.400 -0.942 1
1 745 . 12 1 1 A 65 65 ASP CA C 62 54.645 56.233 -1.588 1
1 746 . 12 1 1 A 65 65 ASP CB C 62 40.896 40.614 0.282 1
1 747 . 12 1 1 A 65 65 ASP N N 62 120.211 119.231 0.980 1
1 748 . 12 1 1 A 66 66 ILE H H 63 7.805 7.521 0.284 1
1 749 . 12 1 1 A 66 66 ILE HA H 63 3.708 3.416 0.292 1
1 759 . 12 1 1 A 66 66 ILE C C 63 176.802 177.826 -1.024 1
1 760 . 12 1 1 A 66 66 ILE CA C 63 62.754 64.868 -2.114 1
1 761 . 12 1 1 A 66 66 ILE CB C 63 38.230 38.044 0.186 1
1 765 . 12 1 1 A 66 66 ILE N N 63 121.259 120.536 0.723 1
1 766 . 12 1 1 A 67 67 MET H H 64 7.950 7.861 0.089 1
1 767 . 12 1 1 A 67 67 MET HA H 64 4.229 4.324 -0.095 1
1 775 . 12 1 1 A 67 67 MET C C 64 176.724 177.066 -0.342 1
1 776 . 12 1 1 A 67 67 MET CA C 64 55.944 58.006 -2.062 1
1 777 . 12 1 1 A 67 67 MET CB C 64 31.826 33.206 -1.380 1
1 780 . 12 1 1 A 67 67 MET N N 64 118.533 118.232 0.301 1
1 781 . 12 1 1 A 68 68 ARG H H 65 7.604 7.623 -0.019 1
1 782 . 12 1 1 A 68 68 ARG HA H 65 4.197 4.340 -0.143 1
1 789 . 12 1 1 A 68 68 ARG C C 65 175.530 175.692 -0.162 1
1 790 . 12 1 1 A 68 68 ARG CA C 65 56.028 56.472 -0.444 1
1 791 . 12 1 1 A 68 68 ARG CB C 65 30.760 30.936 -0.176 1
1 794 . 12 1 1 A 68 68 ARG N N 65 118.706 117.178 1.528 1
1 795 . 12 1 1 A 69 69 ALA H H 66 7.634 7.604 0.030 1
1 796 . 12 1 1 A 69 69 ALA HA H 66 4.254 4.809 -0.555 1
1 800 . 12 1 1 A 69 69 ALA C C 66 176.846 176.104 0.742 1
1 801 . 12 1 1 A 69 69 ALA CA C 66 51.905 51.581 0.324 1
1 802 . 12 1 1 A 69 69 ALA CB C 66 20.023 23.027 -3.004 1
1 803 . 12 1 1 A 69 69 ALA N N 66 123.528 119.436 4.092 1
1 804 . 12 1 1 A 70 70 GLU H H 67 8.192 8.546 -0.354 1
1 805 . 12 1 1 A 70 70 GLU HA H 67 4.228 4.389 -0.161 1
1 810 . 12 1 1 A 70 70 GLU C C 67 176.333 176.292 0.041 1
1 811 . 12 1 1 A 70 70 GLU CA C 67 55.928 55.926 0.002 1
1 812 . 12 1 1 A 70 70 GLU CB C 67 30.769 30.679 0.090 1
1 814 . 12 1 1 A 70 70 GLU N N 67 120.599 120.798 -0.199 1
1 815 . 12 1 1 A 71 71 ARG H H 68 8.674 8.249 0.425 1
1 816 . 12 1 1 A 71 71 ARG HA H 68 3.696 4.561 -0.865 1
1 823 . 12 1 1 A 71 71 ARG C C 68 175.422 175.392 0.030 1
1 824 . 12 1 1 A 71 71 ARG CA C 68 56.964 56.133 0.831 1
1 825 . 12 1 1 A 71 71 ARG CB C 68 30.886 30.381 0.505 1
1 828 . 12 1 1 A 71 71 ARG N N 68 123.533 120.111 3.422 1
1 829 . 12 1 1 A 72 72 ARG H H 69 7.660 8.659 -0.999 1
1 830 . 12 1 1 A 72 72 ARG HA H 69 4.642 4.652 -0.010 1
1 837 . 12 1 1 A 72 72 ARG C C 69 175.051 176.177 -1.126 1
1 838 . 12 1 1 A 72 72 ARG CA C 69 54.297 55.716 -1.419 1
1 839 . 12 1 1 A 72 72 ARG CB C 69 33.555 31.338 2.217 1
1 842 . 12 1 1 A 72 72 ARG N N 69 120.057 124.291 -4.234 1
1 843 . 12 1 1 A 73 73 PHE H H 70 8.714 8.712 0.002 1
1 844 . 12 1 1 A 73 73 PHE HA H 70 5.020 4.901 0.119 1
1 852 . 12 1 1 A 73 73 PHE C C 70 173.159 174.716 -1.557 1
1 853 . 12 1 1 A 73 73 PHE CA C 70 57.359 57.223 0.136 1
1 854 . 12 1 1 A 73 73 PHE CB C 70 43.426 42.319 1.107 1
1 860 . 12 1 1 A 73 73 PHE N N 70 119.519 122.871 -3.352 1
1 861 . 12 1 1 A 74 74 GLU H H 71 9.404 9.212 0.192 1
1 862 . 12 1 1 A 74 74 GLU HA H 71 4.996 5.046 -0.050 1
1 867 . 12 1 1 A 74 74 GLU C C 71 175.559 174.846 0.713 1
1 868 . 12 1 1 A 74 74 GLU CA C 71 52.975 54.543 -1.568 1
1 869 . 12 1 1 A 74 74 GLU CB C 71 33.399 33.667 -0.268 1
1 871 . 12 1 1 A 74 74 GLU N N 71 117.679 118.081 -0.402 1
1 872 . 12 1 1 A 75 75 THR H H 72 9.801 9.036 0.765 1
1 873 . 12 1 1 A 75 75 THR HA H 72 4.108 4.848 -0.740 1
1 878 . 12 1 1 A 75 75 THR C C 72 175.065 174.151 0.914 1
1 879 . 12 1 1 A 75 75 THR CA C 72 64.296 62.465 1.831 1
1 880 . 12 1 1 A 75 75 THR CB C 72 67.635 69.063 -1.428 1
1 882 . 12 1 1 A 75 75 THR N N 72 122.320 117.748 4.572 1
1 883 . 12 1 1 A 76 76 ARG H H 73 9.150 9.079 0.071 1
1 884 . 12 1 1 A 76 76 ARG HA H 73 4.283 4.346 -0.063 1
1 892 . 12 1 1 A 76 76 ARG C C 73 176.574 176.488 0.086 1
1 893 . 12 1 1 A 76 76 ARG CA C 73 55.858 58.048 -2.190 1
1 894 . 12 1 1 A 76 76 ARG CB C 73 30.930 30.913 0.017 1
1 897 . 12 1 1 A 76 76 ARG N N 73 127.709 127.718 -0.009 1
1 899 . 12 1 1 A 77 77 LEU H H 74 7.520 7.472 0.048 1
1 900 . 12 1 1 A 77 77 LEU HA H 74 4.480 4.918 -0.438 1
1 910 . 12 1 1 A 77 77 LEU C C 74 174.509 175.112 -0.603 1
1 911 . 12 1 1 A 77 77 LEU CA C 74 54.222 53.533 0.689 1
1 912 . 12 1 1 A 77 77 LEU CB C 74 47.315 47.317 -0.002 1
1 916 . 12 1 1 A 77 77 LEU N N 74 117.021 118.353 -1.332 1
1 917 . 12 1 1 A 78 78 ALA H H 75 8.600 8.417 0.183 1
1 918 . 12 1 1 A 78 78 ALA HA H 75 4.999 4.972 0.027 1
1 922 . 12 1 1 A 78 78 ALA C C 75 176.343 177.080 -0.737 1
1 923 . 12 1 1 A 78 78 ALA CA C 75 50.324 51.647 -1.323 1
1 924 . 12 1 1 A 78 78 ALA CB C 75 21.074 22.486 -1.412 1
1 925 . 12 1 1 A 78 78 ALA N N 75 124.663 122.770 1.893 1
1 926 . 12 1 1 A 79 79 GLY H H 76 8.730 8.440 0.290 1
1 927 . 12 1 1 A 79 79 GLY HA2 H 76 3.706 3.843 -0.137 1
1 928 . 12 1 1 A 79 79 GLY HA3 H 76 3.306 3.843 -0.537 1
1 929 . 12 1 1 A 79 79 GLY C C 76 175.173 174.090 1.083 1
1 930 . 12 1 1 A 79 79 GLY CA C 76 47.520 46.541 0.979 1
1 931 . 12 1 1 A 79 79 GLY N N 76 114.411 111.037 3.374 1
1 932 . 12 1 1 A 80 80 VAL H H 77 8.380 7.761 0.619 1
1 933 . 12 1 1 A 80 80 VAL HA H 77 4.643 4.560 0.083 1
1 941 . 12 1 1 A 80 80 VAL C C 77 175.208 174.820 0.388 1
1 942 . 12 1 1 A 80 80 VAL CA C 77 59.289 59.851 -0.562 1
1 943 . 12 1 1 A 80 80 VAL CB C 77 34.226 33.985 0.241 1
1 946 . 12 1 1 A 80 80 VAL N N 77 112.611 117.386 -4.775 1
1 947 . 12 1 1 A 81 81 GLU H H 78 8.415 8.494 -0.079 1
1 948 . 12 1 1 A 81 81 GLU HA H 78 4.451 4.758 -0.307 1
1 953 . 12 1 1 A 81 81 GLU C C 78 178.955 177.587 1.368 1
1 954 . 12 1 1 A 81 81 GLU CA C 78 55.631 54.279 1.352 1
1 955 . 12 1 1 A 81 81 GLU CB C 78 30.535 31.718 -1.183 1
1 957 . 12 1 1 A 81 81 GLU N N 78 117.186 118.780 -1.594 1
1 958 . 12 1 1 A 82 82 GLY H H 79 8.834 8.968 -0.134 1
1 959 . 12 1 1 A 82 82 GLY HA2 H 79 3.810 3.843 -0.033 1
1 960 . 12 1 1 A 82 82 GLY HA3 H 79 3.518 3.844 -0.326 1
1 961 . 12 1 1 A 82 82 GLY C C 79 176.446 175.658 0.788 1
1 962 . 12 1 1 A 82 82 GLY CA C 79 47.629 47.247 0.382 1
1 963 . 12 1 1 A 82 82 GLY N N 79 109.312 107.821 1.491 1
1 964 . 12 1 1 A 83 83 GLU H H 80 8.747 8.193 0.554 1
1 965 . 12 1 1 A 83 83 GLU HA H 80 3.972 4.051 -0.079 1
1 970 . 12 1 1 A 83 83 GLU C C 80 179.046 179.065 -0.019 1
1 971 . 12 1 1 A 83 83 GLU CA C 80 59.403 59.196 0.207 1
1 972 . 12 1 1 A 83 83 GLU CB C 80 29.005 29.314 -0.309 1
1 974 . 12 1 1 A 83 83 GLU N N 80 119.416 121.553 -2.137 1
1 975 . 12 1 1 A 84 84 GLU H H 81 7.588 7.867 -0.279 1
1 976 . 12 1 1 A 84 84 GLU HA H 81 4.003 4.074 -0.071 1
1 981 . 12 1 1 A 84 84 GLU C C 81 179.682 179.439 0.243 1
1 982 . 12 1 1 A 84 84 GLU CA C 81 59.213 59.231 -0.018 1
1 983 . 12 1 1 A 84 84 GLU CB C 81 29.473 29.492 -0.019 1
1 985 . 12 1 1 A 84 84 GLU N N 81 120.110 119.650 0.460 1
1 986 . 12 1 1 A 85 85 ILE H H 82 6.936 8.017 -1.081 1
1 987 . 12 1 1 A 85 85 ILE HA H 82 3.356 3.554 -0.198 1
1 997 . 12 1 1 A 85 85 ILE C C 82 177.308 177.804 -0.496 1
1 998 . 12 1 1 A 85 85 ILE CA C 82 64.055 65.826 -1.771 1
1 999 . 12 1 1 A 85 85 ILE CB C 82 36.836 38.231 -1.395 1
1 1003 . 12 1 1 A 85 85 ILE N N 82 120.268 121.734 -1.466 1
1 1004 . 12 1 1 A 86 86 ALA H H 83 8.292 8.305 -0.013 1
1 1005 . 12 1 1 A 86 86 ALA HA H 83 3.787 4.034 -0.247 1
1 1009 . 12 1 1 A 86 86 ALA C C 83 180.345 179.626 0.719 1
1 1010 . 12 1 1 A 86 86 ALA CA C 83 55.103 54.790 0.313 1
1 1011 . 12 1 1 A 86 86 ALA CB C 83 17.928 18.267 -0.339 1
1 1012 . 12 1 1 A 86 86 ALA N N 83 121.052 121.476 -0.424 1
1 1013 . 12 1 1 A 87 87 ALA H H 84 7.516 7.717 -0.201 1
1 1014 . 12 1 1 A 87 87 ALA HA H 84 4.006 4.084 -0.078 1
1 1018 . 12 1 1 A 87 87 ALA C C 84 180.272 179.300 0.972 1
1 1019 . 12 1 1 A 87 87 ALA CA C 84 54.765 55.047 -0.282 1
1 1020 . 12 1 1 A 87 87 ALA CB C 84 17.949 18.210 -0.261 1
1 1021 . 12 1 1 A 87 87 ALA N N 84 119.052 119.856 -0.804 1
1 1022 . 12 1 1 A 88 88 LEU H H 85 7.285 7.460 -0.175 1
1 1023 . 12 1 1 A 88 88 LEU HA H 85 4.042 4.156 -0.114 1
1 1033 . 12 1 1 A 88 88 LEU C C 85 174.921 178.595 -3.674 1
1 1034 . 12 1 1 A 88 88 LEU CA C 85 58.290 57.204 1.086 1
1 1035 . 12 1 1 A 88 88 LEU CB C 85 41.610 42.328 -0.718 1
1 1039 . 12 1 1 A 88 88 LEU N N 85 121.211 119.208 2.003 1
1 1040 . 12 1 1 A 89 89 LEU H H 86 8.472 8.264 0.208 1
1 1041 . 12 1 1 A 89 89 LEU HA H 86 3.486 3.792 -0.306 1
1 1051 . 12 1 1 A 89 89 LEU C C 86 178.855 179.725 -0.870 1
1 1052 . 12 1 1 A 89 89 LEU CA C 86 57.476 57.395 0.081 1
1 1053 . 12 1 1 A 89 89 LEU CB C 86 41.478 41.395 0.083 1
1 1057 . 12 1 1 A 89 89 LEU N N 86 118.740 118.399 0.341 1
1 1058 . 12 1 1 A 90 90 GLU H H 87 7.926 8.598 -0.672 1
1 1059 . 12 1 1 A 90 90 GLU HA H 87 3.726 4.017 -0.291 1
1 1064 . 12 1 1 A 90 90 GLU C C 87 178.738 178.718 0.020 1
1 1065 . 12 1 1 A 90 90 GLU CA C 87 59.511 59.061 0.450 1
1 1066 . 12 1 1 A 90 90 GLU CB C 87 28.855 28.869 -0.014 1
1 1068 . 12 1 1 A 90 90 GLU N N 87 119.669 118.038 1.631 1
1 1069 . 12 1 1 A 91 91 ARG H H 88 7.069 7.824 -0.755 1
1 1070 . 12 1 1 A 91 91 ARG HA H 88 3.762 4.203 -0.441 1
1 1077 . 12 1 1 A 91 91 ARG C C 88 178.920 179.271 -0.351 1
1 1078 . 12 1 1 A 91 91 ARG CA C 88 59.544 59.661 -0.117 1
1 1079 . 12 1 1 A 91 91 ARG CB C 88 29.723 30.319 -0.596 1
1 1082 . 12 1 1 A 91 91 ARG N N 88 119.088 119.652 -0.564 1
1 1083 . 12 1 1 A 92 92 GLU H H 89 8.170 8.213 -0.043 1
1 1084 . 12 1 1 A 92 92 GLU HA H 89 4.021 4.136 -0.115 1
1 1089 . 12 1 1 A 92 92 GLU C C 89 180.250 179.889 0.361 1
1 1090 . 12 1 1 A 92 92 GLU CA C 89 58.661 58.815 -0.154 1
1 1091 . 12 1 1 A 92 92 GLU CB C 89 28.073 29.094 -1.021 1
1 1093 . 12 1 1 A 92 92 GLU N N 89 117.768 119.638 -1.870 1
1 1094 . 12 1 1 A 93 93 ARG H H 90 8.355 7.932 0.423 1
1 1095 . 12 1 1 A 93 93 ARG HA H 90 4.003 4.432 -0.429 1
1 1102 . 12 1 1 A 93 93 ARG C C 90 177.592 178.528 -0.936 1
1 1103 . 12 1 1 A 93 93 ARG CA C 90 57.744 58.895 -1.151 1
1 1104 . 12 1 1 A 93 93 ARG CB C 90 30.325 29.891 0.434 1
1 1107 . 12 1 1 A 93 93 ARG N N 90 119.179 118.868 0.311 1
1 1108 . 12 1 1 A 94 94 ARG H H 91 7.232 7.507 -0.275 1
1 1109 . 12 1 1 A 94 94 ARG HA H 91 3.788 3.922 -0.134 1
1 1116 . 12 1 1 A 94 94 ARG C C 91 177.986 178.112 -0.126 1
1 1117 . 12 1 1 A 94 94 ARG CA C 91 58.462 58.850 -0.388 1
1 1118 . 12 1 1 A 94 94 ARG CB C 91 29.565 29.648 -0.083 1
1 1121 . 12 1 1 A 94 94 ARG N N 91 118.441 120.042 -1.601 1
1 1122 . 12 1 1 A 95 95 PHE H H 92 7.048 7.574 -0.526 1
1 1123 . 12 1 1 A 95 95 PHE HA H 92 4.474 4.541 -0.067 1
1 1128 . 12 1 1 A 95 95 PHE C C 92 175.728 175.997 -0.269 1
1 1129 . 12 1 1 A 95 95 PHE CA C 92 58.210 58.677 -0.467 1
1 1130 . 12 1 1 A 95 95 PHE CB C 92 39.724 40.018 -0.294 1
1 1133 . 12 1 1 A 95 95 PHE N N 92 115.951 116.174 -0.223 1
1 1134 . 12 1 1 A 96 96 ASP H H 93 7.793 7.839 -0.046 1
1 1135 . 12 1 1 A 96 96 ASP HA H 93 4.703 4.810 -0.107 1
1 1138 . 12 1 1 A 96 96 ASP C C 93 179.474 175.831 3.643 1
1 1139 . 12 1 1 A 96 96 ASP CA C 93 53.103 53.903 -0.800 1
1 1140 . 12 1 1 A 96 96 ASP CB C 93 41.634 41.411 0.223 1
1 1141 . 12 1 1 A 96 96 ASP N N 93 119.328 119.909 -0.581 1
1 1142 . 12 1 1 A 97 97 SER H H 94 8.490 8.881 -0.391 1
1 1143 . 12 1 1 A 97 97 SER HA H 94 4.204 4.419 -0.215 1
1 1146 . 12 1 1 A 97 97 SER C C 94 175.549 174.968 0.581 1
1 1147 . 12 1 1 A 97 97 SER CA C 94 60.047 59.562 0.485 1
1 1148 . 12 1 1 A 97 97 SER CB C 94 63.408 62.965 0.443 1
1 1149 . 12 1 1 A 97 97 SER N N 94 118.740 121.199 -2.459 1
1 1150 . 12 1 1 A 98 98 ASP H H 95 8.229 8.082 0.147 1
1 1151 . 12 1 1 A 98 98 ASP HA H 95 4.684 4.718 -0.034 1
1 1154 . 12 1 1 A 98 98 ASP C C 95 175.547 175.899 -0.352 1
1 1155 . 12 1 1 A 98 98 ASP CA C 95 54.380 54.831 -0.451 1
1 1156 . 12 1 1 A 98 98 ASP CB C 95 42.267 41.087 1.180 1
1 1157 . 12 1 1 A 98 98 ASP N N 95 121.306 119.948 1.358 1
1 1158 . 12 1 1 A 99 99 LEU H H 96 6.613 7.480 -0.867 1
1 1159 . 12 1 1 A 99 99 LEU HA H 96 4.801 5.179 -0.378 1
1 1169 . 12 1 1 A 99 99 LEU C C 96 176.224 176.012 0.212 1
1 1170 . 12 1 1 A 99 99 LEU CA C 96 55.691 53.809 1.882 1
1 1171 . 12 1 1 A 99 99 LEU CB C 96 42.272 43.646 -1.374 1
1 1175 . 12 1 1 A 99 99 LEU N N 96 117.774 116.830 0.944 1
1 1176 . 12 1 1 A 100 100 TRP H H 97 9.750 9.442 0.308 1
1 1177 . 12 1 1 A 100 100 TRP HA H 97 4.757 5.610 -0.853 1
1 1186 . 12 1 1 A 100 100 TRP C C 97 176.737 175.405 1.332 1
1 1187 . 12 1 1 A 100 100 TRP CA C 97 55.634 55.245 0.389 1
1 1188 . 12 1 1 A 100 100 TRP CB C 97 31.794 32.677 -0.883 1
1 1194 . 12 1 1 A 100 100 TRP N N 97 120.649 120.677 -0.028 1
1 1196 . 12 1 1 A 101 101 VAL H H 98 9.096 8.840 0.256 1
1 1197 . 12 1 1 A 101 101 VAL HA H 98 5.018 5.142 -0.124 1
1 1205 . 12 1 1 A 101 101 VAL C C 98 175.816 175.419 0.397 1
1 1206 . 12 1 1 A 101 101 VAL CA C 98 61.998 62.287 -0.289 1
1 1207 . 12 1 1 A 101 101 VAL CB C 98 34.180 32.936 1.244 1
1 1210 . 12 1 1 A 101 101 VAL N N 98 117.960 124.031 -6.071 1
1 1211 . 12 1 1 A 102 102 VAL H H 99 9.113 9.042 0.071 1
1 1212 . 12 1 1 A 102 102 VAL HA H 99 4.546 4.880 -0.334 1
1 1220 . 12 1 1 A 102 102 VAL C C 99 173.388 174.833 -1.445 1
1 1221 . 12 1 1 A 102 102 VAL CA C 99 60.987 61.315 -0.328 1
1 1222 . 12 1 1 A 102 102 VAL CB C 99 34.654 33.046 1.608 1
1 1225 . 12 1 1 A 102 102 VAL N N 99 129.775 128.551 1.224 1
1 1226 . 12 1 1 A 103 103 GLU H H 100 9.226 8.727 0.499 1
1 1227 . 12 1 1 A 103 103 GLU HA H 100 5.376 4.711 0.665 1
1 1232 . 12 1 1 A 103 103 GLU C C 100 175.058 176.301 -1.243 1
1 1233 . 12 1 1 A 103 103 GLU CA C 100 54.158 55.844 -1.686 1
1 1234 . 12 1 1 A 103 103 GLU CB C 100 31.835 30.148 1.687 1
1 1236 . 12 1 1 A 103 103 GLU N N 100 128.249 127.524 0.725 1
1 1237 . 12 1 1 A 104 104 ILE H H 101 9.141 8.853 0.288 1
1 1238 . 12 1 1 A 104 104 ILE HA H 101 5.021 5.180 -0.159 1
1 1248 . 12 1 1 A 104 104 ILE C C 101 173.727 174.648 -0.921 1
1 1249 . 12 1 1 A 104 104 ILE CA C 101 59.226 59.359 -0.133 1
1 1250 . 12 1 1 A 104 104 ILE CB C 101 42.192 39.912 2.280 1
1 1254 . 12 1 1 A 104 104 ILE N N 101 118.638 121.259 -2.621 1
1 1255 . 12 1 1 A 105 105 GLU H H 102 9.018 8.745 0.273 1
1 1256 . 12 1 1 A 105 105 GLU HA H 102 4.800 5.180 -0.380 1
1 1261 . 12 1 1 A 105 105 GLU C C 102 174.832 174.908 -0.076 1
1 1262 . 12 1 1 A 105 105 GLU CA C 102 55.362 55.739 -0.377 1
1 1263 . 12 1 1 A 105 105 GLU CB C 102 31.160 32.155 -0.995 1
1 1265 . 12 1 1 A 105 105 GLU N N 102 125.842 122.959 2.883 1
1 1266 . 12 1 1 A 106 106 THR H H 103 7.678 8.364 -0.686 1
1 1267 . 12 1 1 A 106 106 THR HA H 103 4.424 4.922 -0.498 1
1 1272 . 12 1 1 A 106 106 THR C C 103 172.175 173.608 -1.433 1
1 1273 . 12 1 1 A 106 106 THR CA C 103 60.772 60.306 0.466 1
1 1274 . 12 1 1 A 106 106 THR CB C 103 67.599 70.110 -2.511 1
1 1276 . 12 1 1 A 106 106 THR N N 103 118.569 119.943 -1.374 1
1 1277 . 12 1 1 A 107 107 ASP H H 104 8.400 9.035 -0.635 1
1 1278 . 12 1 1 A 107 107 ASP HA H 104 4.635 4.516 0.119 1
1 1281 . 12 1 1 A 107 107 ASP C C 104 176.214 176.153 0.061 1
1 1282 . 12 1 1 A 107 107 ASP CA C 104 55.771 56.635 -0.864 1
1 1283 . 12 1 1 A 107 107 ASP CB C 104 41.463 41.368 0.095 1
1 1284 . 12 1 1 A 107 107 ASP N N 104 125.388 125.327 0.061 1
1 1285 . 12 1 1 A 108 108 GLU H H 105 7.995 7.153 0.842 1
1 1286 . 12 1 1 A 108 108 GLU HA H 105 4.524 4.804 -0.280 1
1 1291 . 12 1 1 A 108 108 GLU C C 105 175.340 175.937 -0.597 1
1 1292 . 12 1 1 A 108 108 GLU CA C 105 54.564 55.006 -0.442 1
1 1293 . 12 1 1 A 108 108 GLU CB C 105 30.953 32.029 -1.076 1
1 1295 . 12 1 1 A 108 108 GLU N N 105 120.222 113.855 6.367 1
1 1296 . 12 1 1 A 109 109 ILE H H 106 8.389 8.610 -0.221 1
1 1297 . 12 1 1 A 109 109 ILE HA H 106 3.853 4.155 -0.302 1
1 1307 . 12 1 1 A 109 109 ILE C C 106 176.324 176.803 -0.479 1
1 1308 . 12 1 1 A 109 109 ILE CA C 106 60.148 63.751 -3.603 1
1 1309 . 12 1 1 A 109 109 ILE CB C 106 38.950 38.788 0.162 1
1 1313 . 12 1 1 A 109 109 ILE N N 106 124.088 122.786 1.302 1
1 1314 . 12 1 1 A 110 110 GLY H H 107 8.534 8.061 0.473 1
1 1315 . 12 1 1 A 110 110 GLY HA2 H 107 3.744 3.890 -0.146 1
1 1316 . 12 1 1 A 110 110 GLY HA3 H 107 3.705 3.911 -0.206 1
1 1317 . 12 1 1 A 110 110 GLY C C 107 175.021 174.284 0.737 1
1 1318 . 12 1 1 A 110 110 GLY CA C 107 46.530 46.971 -0.441 1
1 1319 . 12 1 1 A 110 110 GLY N N 107 109.224 108.001 1.223 1
1 1320 . 12 1 1 A 111 111 THR H H 108 7.892 8.171 -0.279 1
1 1321 . 12 1 1 A 111 111 THR HA H 108 4.255 4.504 -0.249 1
1 1326 . 12 1 1 A 111 111 THR C C 108 175.417 175.105 0.312 1
1 1327 . 12 1 1 A 111 111 THR CA C 108 61.287 62.620 -1.333 1
1 1328 . 12 1 1 A 111 111 THR CB C 108 68.657 71.664 -3.007 1
1 1330 . 12 1 1 A 111 111 THR N N 108 111.278 117.999 -6.721 1
1 1331 . 12 1 1 A 112 112 LEU H H 109 7.950 7.526 0.424 1
1 1332 . 12 1 1 A 112 112 LEU HA H 109 3.887 4.606 -0.719 1
1 1342 . 12 1 1 A 112 112 LEU C C 109 175.715 176.024 -0.309 1
1 1343 . 12 1 1 A 112 112 LEU CA C 109 56.661 54.192 2.469 1
1 1344 . 12 1 1 A 112 112 LEU CB C 109 43.310 43.662 -0.352 1
1 1348 . 12 1 1 A 112 112 LEU N N 109 122.017 115.322 6.695 1
1 1349 . 12 1 1 A 113 113 LEU H H 110 7.003 7.111 -0.108 1
1 1350 . 12 1 1 A 113 113 LEU HA H 110 4.327 4.617 -0.290 1
1 1360 . 12 1 1 A 113 113 LEU C C 110 175.563 173.769 1.794 1
1 1361 . 12 1 1 A 113 113 LEU CA C 110 52.377 54.389 -2.012 1
1 1362 . 12 1 1 A 113 113 LEU CB C 110 44.890 45.400 -0.510 1
1 1366 . 12 1 1 A 113 113 LEU N N 110 113.184 120.150 -6.966 1
1 1367 . 12 1 1 A 114 114 THR H H 111 9.101 8.607 0.494 1
1 1368 . 12 1 1 A 114 114 THR HA H 111 4.079 4.850 -0.771 1
1 1373 . 12 1 1 A 114 114 THR C C 111 173.117 173.848 -0.731 1
1 1374 . 12 1 1 A 114 114 THR CA C 111 62.838 62.019 0.819 1
1 1375 . 12 1 1 A 114 114 THR CB C 111 68.245 69.902 -1.657 1
1 1377 . 12 1 1 A 114 114 THR N N 111 119.602 121.814 -2.212 1
1 1378 . 12 1 1 A 115 115 LEU H H 112 8.461 8.791 -0.330 1
1 1379 . 12 1 1 A 115 115 LEU HA H 112 4.985 5.025 -0.040 1
1 1389 . 12 1 1 A 115 115 LEU C C 112 178.488 177.224 1.264 1
1 1390 . 12 1 1 A 115 115 LEU CA C 112 52.953 53.459 -0.506 1
1 1391 . 12 1 1 A 115 115 LEU CB C 112 43.316 45.136 -1.820 1
1 1395 . 12 1 1 A 115 115 LEU N N 112 129.372 127.286 2.086 1
1 1396 . 12 1 1 A 116 116 VAL H H 113 8.550 8.853 -0.303 1
1 1397 . 12 1 1 A 116 116 VAL HA H 113 4.141 3.938 0.203 1
1 1405 . 12 1 1 A 116 116 VAL C C 113 175.638 177.357 -1.719 1
1 1406 . 12 1 1 A 116 116 VAL CA C 113 61.559 64.979 -3.420 1
1 1407 . 12 1 1 A 116 116 VAL CB C 113 32.128 31.757 0.371 1
1 1410 . 12 1 1 A 116 116 VAL N N 113 117.300 121.146 -3.846 1
1 1411 . 12 1 1 A 117 117 ASP H H 114 8.095 7.878 0.217 1
1 1412 . 12 1 1 A 117 117 ASP HA H 114 4.561 4.414 0.147 1
1 1415 . 12 1 1 A 117 117 ASP C C 114 175.610 176.146 -0.536 1
1 1416 . 12 1 1 A 117 117 ASP CA C 114 53.586 57.249 -3.663 1
1 1417 . 12 1 1 A 117 117 ASP CB C 114 41.131 41.728 -0.597 1
1 1418 . 12 1 1 A 117 117 ASP N N 114 121.410 120.730 0.680 1
1 1419 . 12 1 1 A 118 118 GLN H H 115 8.048 7.829 0.219 1
1 1420 . 12 1 1 A 118 118 GLN HA H 115 4.539 4.611 -0.072 1
1 1427 . 12 1 1 A 118 118 GLN CA C 115 53.464 53.789 -0.325 1
1 1428 . 12 1 1 A 118 118 GLN CB C 115 29.143 27.817 1.326 1
1 1430 . 12 1 1 A 118 118 GLN N N 115 120.387 117.254 3.133 1
1 1432 . 12 1 1 A 119 119 PRO HA H 116 4.314 4.551 -0.237 1
1 1439 . 12 1 1 A 119 119 PRO C C 116 176.819 177.021 -0.202 1
1 1440 . 12 1 1 A 119 119 PRO CA C 116 63.073 62.576 0.497 1
1 1441 . 12 1 1 A 119 119 PRO CB C 116 32.117 33.297 -1.180 1
1 1444 . 12 1 1 A 120 120 GLN H H 117 8.404 9.027 -0.623 1
1 1445 . 12 1 1 A 120 120 GLN HA H 117 4.172 4.151 0.021 1
1 1452 . 12 1 1 A 120 120 GLN C C 117 174.745 176.009 -1.264 1
1 1453 . 12 1 1 A 120 120 GLN CA C 117 55.531 59.101 -3.570 1
1 1454 . 12 1 1 A 120 120 GLN CB C 117 29.529 29.874 -0.345 1
1 1456 . 12 1 1 A 120 120 GLN N N 117 121.403 119.875 1.528 1
1 14 . 13 1 1 A 5 5 ARG H H 2 8.281 8.728 -0.447 1
1 15 . 13 1 1 A 5 5 ARG HA H 2 4.126 4.666 -0.540 1
1 22 . 13 1 1 A 5 5 ARG C C 2 176.387 175.878 0.509 1
1 23 . 13 1 1 A 5 5 ARG CA C 2 56.556 55.957 0.599 1
1 24 . 13 1 1 A 5 5 ARG CB C 2 30.698 30.823 -0.125 1
1 27 . 13 1 1 A 5 5 ARG N N 2 123.269 126.129 -2.860 1
1 28 . 13 1 1 A 6 6 LEU H H 3 8.527 8.789 -0.262 1
1 29 . 13 1 1 A 6 6 LEU HA H 3 4.414 5.114 -0.700 1
1 39 . 13 1 1 A 6 6 LEU C C 3 178.040 175.787 2.253 1
1 40 . 13 1 1 A 6 6 LEU CA C 3 54.270 52.936 1.334 1
1 41 . 13 1 1 A 6 6 LEU CB C 3 43.612 45.653 -2.041 1
1 45 . 13 1 1 A 6 6 LEU N N 3 125.588 121.757 3.831 1
1 46 . 13 1 1 A 7 7 LYS H H 4 8.646 8.482 0.164 1
1 47 . 13 1 1 A 7 7 LYS HA H 4 4.524 4.414 0.110 1
1 56 . 13 1 1 A 7 7 LYS C C 4 178.029 177.509 0.520 1
1 57 . 13 1 1 A 7 7 LYS CA C 4 57.051 55.729 1.322 1
1 58 . 13 1 1 A 7 7 LYS CB C 4 32.877 33.091 -0.214 1
1 62 . 13 1 1 A 7 7 LYS N N 4 123.765 117.324 6.441 1
1 63 . 13 1 1 A 8 8 SER H H 5 8.316 8.473 -0.157 1
1 64 . 13 1 1 A 8 8 SER HA H 5 3.720 3.938 -0.218 1
1 67 . 13 1 1 A 8 8 SER C C 5 174.858 176.169 -1.311 1
1 68 . 13 1 1 A 8 8 SER CA C 5 63.553 62.035 1.518 1
1 69 . 13 1 1 A 8 8 SER CB C 5 62.382 62.526 -0.144 1
1 70 . 13 1 1 A 8 8 SER N N 5 122.163 114.952 7.211 1
1 71 . 13 1 1 A 9 9 GLU H H 6 8.913 7.999 0.914 1
1 72 . 13 1 1 A 9 9 GLU HA H 6 3.401 3.094 0.307 1
1 77 . 13 1 1 A 9 9 GLU C C 6 177.494 178.091 -0.597 1
1 78 . 13 1 1 A 9 9 GLU CA C 6 59.824 58.745 1.079 1
1 79 . 13 1 1 A 9 9 GLU CB C 6 29.780 28.675 1.105 1
1 81 . 13 1 1 A 9 9 GLU N N 6 118.372 121.702 -3.330 1
1 82 . 13 1 1 A 10 10 MET H H 7 6.642 7.911 -1.269 1
1 83 . 13 1 1 A 10 10 MET HA H 7 4.200 4.160 0.040 1
1 91 . 13 1 1 A 10 10 MET C C 7 178.173 178.173 0.000 1
1 92 . 13 1 1 A 10 10 MET CA C 7 57.360 58.038 -0.678 1
1 93 . 13 1 1 A 10 10 MET CB C 7 32.761 32.298 0.463 1
1 96 . 13 1 1 A 10 10 MET N N 7 117.318 119.117 -1.799 1
1 97 . 13 1 1 A 11 11 PHE H H 8 8.432 7.727 0.705 1
1 98 . 13 1 1 A 11 11 PHE HA H 8 3.718 4.141 -0.423 1
1 105 . 13 1 1 A 11 11 PHE C C 8 177.603 177.544 0.059 1
1 106 . 13 1 1 A 11 11 PHE CA C 8 61.845 61.194 0.651 1
1 107 . 13 1 1 A 11 11 PHE CB C 8 38.595 38.936 -0.341 1
1 112 . 13 1 1 A 11 11 PHE N N 8 122.099 120.648 1.451 1
1 113 . 13 1 1 A 12 12 VAL H H 9 8.133 7.997 0.136 1
1 114 . 13 1 1 A 12 12 VAL HA H 9 3.021 3.859 -0.838 1
1 122 . 13 1 1 A 12 12 VAL C C 9 176.668 178.005 -1.337 1
1 123 . 13 1 1 A 12 12 VAL CA C 9 67.353 65.348 2.005 1
1 124 . 13 1 1 A 12 12 VAL CB C 9 31.238 31.654 -0.416 1
1 127 . 13 1 1 A 12 12 VAL N N 9 119.317 119.152 0.165 1
1 128 . 13 1 1 A 13 13 SER H H 10 7.750 7.791 -0.041 1
1 129 . 13 1 1 A 13 13 SER HA H 10 3.905 3.996 -0.091 1
1 132 . 13 1 1 A 13 13 SER C C 10 176.947 177.234 -0.287 1
1 133 . 13 1 1 A 13 13 SER CA C 10 61.775 61.486 0.289 1
1 134 . 13 1 1 A 13 13 SER CB C 10 62.483 62.902 -0.419 1
1 135 . 13 1 1 A 13 13 SER N N 10 114.115 117.051 -2.936 1
1 136 . 13 1 1 A 14 14 ALA H H 11 7.776 7.827 -0.051 1
1 137 . 13 1 1 A 14 14 ALA HA H 11 3.860 4.123 -0.263 1
1 141 . 13 1 1 A 14 14 ALA C C 11 179.154 179.439 -0.285 1
1 142 . 13 1 1 A 14 14 ALA CA C 11 54.811 54.941 -0.130 1
1 143 . 13 1 1 A 14 14 ALA CB C 11 17.641 17.988 -0.347 1
1 144 . 13 1 1 A 14 14 ALA N N 11 123.170 123.781 -0.611 1
1 145 . 13 1 1 A 15 15 LEU H H 12 7.732 7.875 -0.143 1
1 146 . 13 1 1 A 15 15 LEU HA H 12 3.636 3.870 -0.234 1
1 156 . 13 1 1 A 15 15 LEU C C 12 177.617 178.672 -1.055 1
1 157 . 13 1 1 A 15 15 LEU CA C 12 57.790 57.490 0.300 1
1 158 . 13 1 1 A 15 15 LEU CB C 12 41.352 41.257 0.095 1
1 162 . 13 1 1 A 15 15 LEU N N 12 121.171 119.132 2.039 1
1 163 . 13 1 1 A 16 16 ILE H H 13 8.037 7.952 0.085 1
1 164 . 13 1 1 A 16 16 ILE HA H 13 3.061 3.569 -0.508 1
1 174 . 13 1 1 A 16 16 ILE C C 13 177.708 178.491 -0.783 1
1 175 . 13 1 1 A 16 16 ILE CA C 13 65.872 64.960 0.912 1
1 176 . 13 1 1 A 16 16 ILE CB C 13 37.704 37.668 0.036 1
1 180 . 13 1 1 A 16 16 ILE N N 13 117.849 119.920 -2.071 1
1 181 . 13 1 1 A 17 17 ARG H H 14 7.537 7.633 -0.096 1
1 182 . 13 1 1 A 17 17 ARG HA H 14 3.980 4.163 -0.183 1
1 189 . 13 1 1 A 17 17 ARG C C 14 179.876 178.992 0.884 1
1 190 . 13 1 1 A 17 17 ARG CA C 14 59.920 59.040 0.880 1
1 191 . 13 1 1 A 17 17 ARG CB C 14 29.995 29.691 0.304 1
1 194 . 13 1 1 A 17 17 ARG N N 14 117.366 120.522 -3.156 1
1 195 . 13 1 1 A 18 18 ARG H H 15 8.068 7.888 0.180 1
1 196 . 13 1 1 A 18 18 ARG HA H 15 3.868 3.997 -0.129 1
1 203 . 13 1 1 A 18 18 ARG C C 15 176.630 178.757 -2.127 1
1 204 . 13 1 1 A 18 18 ARG CA C 15 59.606 59.412 0.194 1
1 205 . 13 1 1 A 18 18 ARG CB C 15 30.327 30.250 0.077 1
1 208 . 13 1 1 A 18 18 ARG N N 15 119.713 119.482 0.231 1
1 209 . 13 1 1 A 19 19 VAL H H 16 8.259 7.596 0.663 1
1 210 . 13 1 1 A 19 19 VAL HA H 16 3.296 3.708 -0.412 1
1 218 . 13 1 1 A 19 19 VAL C C 16 177.306 178.079 -0.773 1
1 219 . 13 1 1 A 19 19 VAL CA C 16 66.667 65.430 1.237 1
1 220 . 13 1 1 A 19 19 VAL CB C 16 30.421 31.482 -1.061 1
1 223 . 13 1 1 A 19 19 VAL N N 16 121.385 116.330 5.055 1
1 224 . 13 1 1 A 20 20 PHE H H 17 8.014 7.820 0.194 1
1 225 . 13 1 1 A 20 20 PHE HA H 17 4.222 4.141 0.081 1
1 233 . 13 1 1 A 20 20 PHE C C 17 180.973 178.019 2.954 1
1 234 . 13 1 1 A 20 20 PHE CA C 17 61.988 61.484 0.504 1
1 235 . 13 1 1 A 20 20 PHE CB C 17 38.553 37.760 0.793 1
1 241 . 13 1 1 A 20 20 PHE N N 17 118.811 120.219 -1.408 1
1 242 . 13 1 1 A 21 21 ALA H H 18 8.192 7.916 0.276 1
1 243 . 13 1 1 A 21 21 ALA HA H 18 4.096 4.146 -0.050 1
1 247 . 13 1 1 A 21 21 ALA C C 18 178.425 178.848 -0.423 1
1 248 . 13 1 1 A 21 21 ALA CA C 18 54.716 54.616 0.100 1
1 249 . 13 1 1 A 21 21 ALA CB C 18 17.752 18.003 -0.251 1
1 250 . 13 1 1 A 21 21 ALA N N 18 122.995 121.708 1.287 1
1 251 . 13 1 1 A 22 22 ALA H H 19 7.256 7.301 -0.045 1
1 252 . 13 1 1 A 22 22 ALA HA H 19 4.356 4.371 -0.015 1
1 256 . 13 1 1 A 22 22 ALA C C 19 177.665 177.469 0.196 1
1 257 . 13 1 1 A 22 22 ALA CA C 19 51.629 52.026 -0.397 1
1 258 . 13 1 1 A 22 22 ALA CB C 19 18.554 19.604 -1.050 1
1 259 . 13 1 1 A 22 22 ALA N N 19 118.872 118.086 0.786 1
1 260 . 13 1 1 A 23 23 GLY H H 20 7.774 7.905 -0.131 1
1 261 . 13 1 1 A 23 23 GLY HA2 H 20 4.207 3.909 0.298 1
1 262 . 13 1 1 A 23 23 GLY HA3 H 20 3.762 3.927 -0.165 1
1 263 . 13 1 1 A 23 23 GLY C C 20 174.779 174.442 0.337 1
1 264 . 13 1 1 A 23 23 GLY CA C 20 45.347 45.097 0.250 1
1 265 . 13 1 1 A 23 23 GLY N N 20 106.718 107.170 -0.452 1
1 266 . 13 1 1 A 24 24 GLY H H 21 7.795 7.943 -0.148 1
1 267 . 13 1 1 A 24 24 GLY HA2 H 21 4.538 3.937 0.601 1
1 268 . 13 1 1 A 24 24 GLY HA3 H 21 3.306 3.973 -0.667 1
1 269 . 13 1 1 A 24 24 GLY C C 21 171.187 172.084 -0.897 1
1 270 . 13 1 1 A 24 24 GLY CA C 21 43.665 44.064 -0.399 1
1 271 . 13 1 1 A 24 24 GLY N N 21 108.369 108.370 -0.001 1
1 272 . 13 1 1 A 25 25 PHE H H 22 7.340 8.530 -1.190 1
1 273 . 13 1 1 A 25 25 PHE HA H 22 3.784 4.437 -0.653 1
1 280 . 13 1 1 A 25 25 PHE C C 22 172.423 173.849 -1.426 1
1 281 . 13 1 1 A 25 25 PHE CA C 22 56.434 55.956 0.478 1
1 282 . 13 1 1 A 25 25 PHE CB C 22 42.819 42.785 0.034 1
1 287 . 13 1 1 A 25 25 PHE N N 22 117.754 120.641 -2.887 1
1 288 . 13 1 1 A 26 26 ALA H H 23 5.579 7.634 -2.055 1
1 289 . 13 1 1 A 26 26 ALA HA H 23 4.943 5.241 -0.298 1
1 293 . 13 1 1 A 26 26 ALA C C 23 173.842 175.350 -1.508 1
1 294 . 13 1 1 A 26 26 ALA CA C 23 50.257 51.180 -0.923 1
1 295 . 13 1 1 A 26 26 ALA CB C 23 25.150 23.485 1.665 1
1 296 . 13 1 1 A 26 26 ALA N N 23 126.477 127.484 -1.007 1
1 297 . 13 1 1 A 27 27 ALA H H 24 8.723 8.111 0.612 1
1 298 . 13 1 1 A 27 27 ALA HA H 24 4.330 4.834 -0.504 1
1 302 . 13 1 1 A 27 27 ALA C C 24 175.543 176.055 -0.512 1
1 303 . 13 1 1 A 27 27 ALA CA C 24 51.545 51.913 -0.368 1
1 304 . 13 1 1 A 27 27 ALA CB C 24 22.974 22.305 0.669 1
1 305 . 13 1 1 A 27 27 ALA N N 24 118.178 120.011 -1.833 1
1 306 . 13 1 1 A 28 28 VAL H H 25 8.841 8.896 -0.055 1
1 307 . 13 1 1 A 28 28 VAL HA H 25 3.972 4.071 -0.099 1
1 315 . 13 1 1 A 28 28 VAL C C 25 175.547 175.506 0.041 1
1 316 . 13 1 1 A 28 28 VAL CA C 25 64.153 63.519 0.634 1
1 317 . 13 1 1 A 28 28 VAL CB C 25 31.951 31.004 0.947 1
1 320 . 13 1 1 A 28 28 VAL N N 25 120.857 124.385 -3.528 1
1 321 . 13 1 1 A 29 29 GLU H H 26 8.595 8.914 -0.319 1
1 322 . 13 1 1 A 29 29 GLU HA H 26 4.275 4.212 0.063 1
1 327 . 13 1 1 A 29 29 GLU C C 26 176.177 176.284 -0.107 1
1 328 . 13 1 1 A 29 29 GLU CA C 26 57.686 58.819 -1.133 1
1 329 . 13 1 1 A 29 29 GLU CB C 26 30.521 30.398 0.123 1
1 331 . 13 1 1 A 29 29 GLU N N 26 132.091 128.426 3.665 1
1 332 . 13 1 1 A 30 30 LYS H H 27 8.163 7.792 0.371 1
1 333 . 13 1 1 A 30 30 LYS HA H 27 4.352 4.858 -0.506 1
1 342 . 13 1 1 A 30 30 LYS C C 27 174.232 174.453 -0.221 1
1 343 . 13 1 1 A 30 30 LYS CA C 27 55.370 54.769 0.601 1
1 344 . 13 1 1 A 30 30 LYS CB C 27 36.138 35.371 0.767 1
1 348 . 13 1 1 A 30 30 LYS N N 27 119.899 118.866 1.033 1
1 349 . 13 1 1 A 31 31 LYS H H 28 8.603 8.537 0.066 1
1 350 . 13 1 1 A 31 31 LYS HA H 28 3.268 4.136 -0.868 1
1 359 . 13 1 1 A 31 31 LYS C C 28 175.170 174.871 0.299 1
1 360 . 13 1 1 A 31 31 LYS CA C 28 56.089 53.832 2.257 1
1 361 . 13 1 1 A 31 31 LYS CB C 28 32.386 35.291 -2.905 1
1 365 . 13 1 1 A 31 31 LYS N N 28 129.067 126.984 2.083 1
1 366 . 13 1 1 A 32 32 GLY H H 29 3.335 6.758 -3.423 1
1 367 . 13 1 1 A 32 32 GLY HA2 H 29 3.652 3.959 -0.307 1
1 368 . 13 1 1 A 32 32 GLY HA3 H 29 2.313 4.002 -1.689 1
1 369 . 13 1 1 A 32 32 GLY C C 29 172.863 173.230 -0.367 1
1 370 . 13 1 1 A 32 32 GLY CA C 29 43.344 44.320 -0.976 1
1 371 . 13 1 1 A 32 32 GLY N N 29 113.639 111.957 1.682 1
1 372 . 13 1 1 A 33 33 ALA H H 30 8.202 8.263 -0.061 1
1 373 . 13 1 1 A 33 33 ALA HA H 30 4.173 4.507 -0.334 1
1 377 . 13 1 1 A 33 33 ALA C C 30 181.026 178.690 2.336 1
1 378 . 13 1 1 A 33 33 ALA CA C 30 52.674 52.215 0.459 1
1 379 . 13 1 1 A 33 33 ALA CB C 30 19.020 19.117 -0.097 1
1 380 . 13 1 1 A 33 33 ALA N N 30 121.182 124.384 -3.202 1
1 381 . 13 1 1 A 34 34 GLU H H 31 9.313 9.049 0.264 1
1 382 . 13 1 1 A 34 34 GLU HA H 31 4.130 4.211 -0.081 1
1 387 . 13 1 1 A 34 34 GLU C C 31 177.137 178.720 -1.583 1
1 388 . 13 1 1 A 34 34 GLU CA C 31 61.214 59.379 1.835 1
1 389 . 13 1 1 A 34 34 GLU CB C 31 29.947 29.695 0.252 1
1 391 . 13 1 1 A 34 34 GLU N N 31 126.206 125.163 1.043 1
1 392 . 13 1 1 A 35 35 ALA H H 32 8.614 8.107 0.507 1
1 393 . 13 1 1 A 35 35 ALA HA H 32 4.377 4.202 0.175 1
1 397 . 13 1 1 A 35 35 ALA C C 32 180.260 179.418 0.842 1
1 398 . 13 1 1 A 35 35 ALA CA C 32 55.118 54.852 0.266 1
1 399 . 13 1 1 A 35 35 ALA CB C 32 18.192 19.433 -1.241 1
1 400 . 13 1 1 A 35 35 ALA N N 32 119.251 122.185 -2.934 1
1 401 . 13 1 1 A 36 36 ALA H H 33 8.467 7.699 0.768 1
1 402 . 13 1 1 A 36 36 ALA HA H 33 4.612 4.389 0.223 1
1 406 . 13 1 1 A 36 36 ALA C C 33 177.468 177.983 -0.515 1
1 407 . 13 1 1 A 36 36 ALA CA C 33 51.190 52.103 -0.913 1
1 408 . 13 1 1 A 36 36 ALA CB C 33 19.451 19.531 -0.080 1
1 409 . 13 1 1 A 36 36 ALA N N 33 120.927 117.810 3.117 1
1 410 . 13 1 1 A 37 37 GLY H H 34 7.445 7.757 -0.312 1
1 411 . 13 1 1 A 37 37 GLY HA2 H 34 4.143 4.165 -0.022 1
1 412 . 13 1 1 A 37 37 GLY HA3 H 34 4.010 4.281 -0.271 1
1 413 . 13 1 1 A 37 37 GLY C C 34 174.885 173.425 1.460 1
1 414 . 13 1 1 A 37 37 GLY CA C 34 46.790 45.389 1.401 1
1 415 . 13 1 1 A 37 37 GLY N N 34 105.715 106.865 -1.150 1
1 416 . 13 1 1 A 38 38 ALA H H 35 9.722 7.965 1.757 1
1 417 . 13 1 1 A 38 38 ALA HA H 35 4.053 4.509 -0.456 1
1 421 . 13 1 1 A 38 38 ALA CA C 35 52.676 51.605 1.071 1
1 422 . 13 1 1 A 38 38 ALA CB C 35 20.069 20.153 -0.084 1
1 423 . 13 1 1 A 38 38 ALA N N 35 131.782 122.065 9.717 1
1 424 . 13 1 1 A 39 39 ILE H H 36 7.776 8.575 -0.799 1
1 425 . 13 1 1 A 39 39 ILE HA H 36 4.533 5.145 -0.612 1
1 435 . 13 1 1 A 39 39 ILE C C 36 172.754 174.772 -2.018 1
1 436 . 13 1 1 A 39 39 ILE CA C 36 61.429 60.694 0.735 1
1 437 . 13 1 1 A 39 39 ILE CB C 36 40.275 40.904 -0.629 1
1 441 . 13 1 1 A 39 39 ILE N N 36 119.692 120.288 -0.596 1
1 442 . 13 1 1 A 40 40 PHE H H 37 8.513 9.384 -0.871 1
1 443 . 13 1 1 A 40 40 PHE HA H 37 5.242 5.715 -0.473 1
1 448 . 13 1 1 A 40 40 PHE C C 37 175.559 174.438 1.121 1
1 449 . 13 1 1 A 40 40 PHE CA C 37 56.375 56.822 -0.447 1
1 450 . 13 1 1 A 40 40 PHE CB C 37 41.794 40.463 1.331 1
1 453 . 13 1 1 A 40 40 PHE N N 37 123.003 125.767 -2.764 1
1 454 . 13 1 1 A 41 41 VAL H H 38 8.898 9.359 -0.461 1
1 455 . 13 1 1 A 41 41 VAL HA H 38 4.981 4.890 0.091 1
1 463 . 13 1 1 A 41 41 VAL C C 38 174.233 175.752 -1.519 1
1 464 . 13 1 1 A 41 41 VAL CA C 38 60.287 61.222 -0.935 1
1 465 . 13 1 1 A 41 41 VAL CB C 38 35.122 34.022 1.100 1
1 468 . 13 1 1 A 41 41 VAL N N 38 120.239 123.497 -3.258 1
1 469 . 13 1 1 A 42 42 ARG H H 39 9.399 9.053 0.346 1
1 470 . 13 1 1 A 42 42 ARG HA H 39 5.094 5.195 -0.101 1
1 478 . 13 1 1 A 42 42 ARG C C 39 173.198 174.850 -1.652 1
1 479 . 13 1 1 A 42 42 ARG CA C 39 54.067 55.077 -1.010 1
1 480 . 13 1 1 A 42 42 ARG CB C 39 33.430 32.513 0.917 1
1 483 . 13 1 1 A 42 42 ARG N N 39 129.107 124.356 4.751 1
1 485 . 13 1 1 A 43 43 GLN H H 40 9.402 8.648 0.754 1
1 486 . 13 1 1 A 43 43 GLN HA H 40 5.371 4.779 0.592 1
1 493 . 13 1 1 A 43 43 GLN C C 40 174.278 174.645 -0.367 1
1 494 . 13 1 1 A 43 43 GLN CA C 40 52.778 55.778 -3.000 1
1 495 . 13 1 1 A 43 43 GLN CB C 40 31.703 29.991 1.712 1
1 497 . 13 1 1 A 43 43 GLN N N 40 127.936 123.944 3.992 1
1 499 . 13 1 1 A 44 44 ARG H H 41 8.875 8.584 0.291 1
1 500 . 13 1 1 A 44 44 ARG HA H 41 4.488 5.121 -0.633 1
1 507 . 13 1 1 A 44 44 ARG C C 41 175.417 174.594 0.823 1
1 508 . 13 1 1 A 44 44 ARG CA C 41 56.319 54.349 1.970 1
1 509 . 13 1 1 A 44 44 ARG CB C 41 31.231 33.800 -2.569 1
1 512 . 13 1 1 A 44 44 ARG N N 41 127.617 126.517 1.100 1
1 513 . 13 1 1 A 45 45 LEU H H 42 8.494 9.022 -0.528 1
1 514 . 13 1 1 A 45 45 LEU HA H 42 4.480 4.717 -0.237 1
1 524 . 13 1 1 A 45 45 LEU C C 42 179.893 178.225 1.668 1
1 525 . 13 1 1 A 45 45 LEU CA C 42 53.972 53.786 0.186 1
1 526 . 13 1 1 A 45 45 LEU CB C 42 42.206 42.923 -0.717 1
1 530 . 13 1 1 A 45 45 LEU N N 42 125.380 127.260 -1.880 1
1 531 . 13 1 1 A 46 46 ARG H H 43 9.223 8.833 0.390 1
1 532 . 13 1 1 A 46 46 ARG HA H 43 3.929 4.064 -0.135 1
1 539 . 13 1 1 A 46 46 ARG C C 43 177.114 177.433 -0.319 1
1 540 . 13 1 1 A 46 46 ARG CA C 43 58.773 58.198 0.575 1
1 541 . 13 1 1 A 46 46 ARG CB C 43 29.688 29.866 -0.178 1
1 544 . 13 1 1 A 46 46 ARG N N 43 121.380 122.597 -1.217 1
1 545 . 13 1 1 A 47 47 ASP H H 44 7.727 7.935 -0.208 1
1 546 . 13 1 1 A 47 47 ASP HA H 44 4.373 4.574 -0.201 1
1 549 . 13 1 1 A 47 47 ASP C C 44 177.125 176.529 0.596 1
1 550 . 13 1 1 A 47 47 ASP CA C 44 53.256 54.208 -0.952 1
1 551 . 13 1 1 A 47 47 ASP CB C 44 39.993 40.931 -0.938 1
1 552 . 13 1 1 A 47 47 ASP N N 44 115.801 118.177 -2.376 1
1 553 . 13 1 1 A 48 48 GLY H H 45 7.878 8.081 -0.203 1
1 554 . 13 1 1 A 48 48 GLY HA2 H 45 4.237 3.932 0.305 1
1 555 . 13 1 1 A 48 48 GLY HA3 H 45 3.531 3.933 -0.402 1
1 556 . 13 1 1 A 48 48 GLY C C 45 175.041 174.056 0.985 1
1 557 . 13 1 1 A 48 48 GLY CA C 45 45.289 45.057 0.232 1
1 558 . 13 1 1 A 48 48 GLY N N 45 108.005 107.186 0.819 1
1 559 . 13 1 1 A 49 49 ARG H H 46 7.696 7.820 -0.124 1
1 560 . 13 1 1 A 49 49 ARG HA H 46 4.309 4.704 -0.395 1
1 567 . 13 1 1 A 49 49 ARG C C 46 174.199 175.124 -0.925 1
1 568 . 13 1 1 A 49 49 ARG CA C 46 55.909 55.906 0.003 1
1 569 . 13 1 1 A 49 49 ARG CB C 46 31.226 31.547 -0.321 1
1 572 . 13 1 1 A 49 49 ARG N N 46 120.601 120.551 0.050 1
1 573 . 13 1 1 A 50 50 GLU H H 47 8.885 8.618 0.267 1
1 574 . 13 1 1 A 50 50 GLU HA H 47 5.381 5.243 0.138 1
1 579 . 13 1 1 A 50 50 GLU C C 47 175.590 175.114 0.476 1
1 580 . 13 1 1 A 50 50 GLU CA C 47 55.057 54.958 0.099 1
1 581 . 13 1 1 A 50 50 GLU CB C 47 35.650 34.610 1.040 1
1 583 . 13 1 1 A 50 50 GLU N N 47 116.439 119.078 -2.639 1
1 584 . 13 1 1 A 51 51 ASN H H 48 8.683 8.749 -0.066 1
1 585 . 13 1 1 A 51 51 ASN HA H 48 5.153 5.398 -0.245 1
1 590 . 13 1 1 A 51 51 ASN C C 48 173.562 173.794 -0.232 1
1 591 . 13 1 1 A 51 51 ASN CA C 48 50.361 51.778 -1.417 1
1 592 . 13 1 1 A 51 51 ASN CB C 48 41.823 41.922 -0.099 1
1 593 . 13 1 1 A 51 51 ASN N N 48 114.752 119.102 -4.350 1
1 595 . 13 1 1 A 52 52 LEU H H 49 8.847 8.491 0.356 1
1 596 . 13 1 1 A 52 52 LEU HA H 49 5.274 4.936 0.338 1
1 606 . 13 1 1 A 52 52 LEU C C 49 174.213 173.492 0.721 1
1 607 . 13 1 1 A 52 52 LEU CA C 49 52.889 53.766 -0.877 1
1 608 . 13 1 1 A 52 52 LEU CB C 49 46.300 46.231 0.069 1
1 612 . 13 1 1 A 52 52 LEU N N 49 120.365 121.836 -1.471 1
1 613 . 13 1 1 A 53 53 TYR H H 50 9.641 8.998 0.643 1
1 614 . 13 1 1 A 53 53 TYR HA H 50 5.519 5.610 -0.091 1
1 621 . 13 1 1 A 53 53 TYR C C 50 175.473 175.448 0.025 1
1 622 . 13 1 1 A 53 53 TYR CA C 50 55.928 55.561 0.367 1
1 623 . 13 1 1 A 53 53 TYR CB C 50 40.076 43.107 -3.031 1
1 628 . 13 1 1 A 53 53 TYR N N 50 127.507 124.290 3.217 1
1 629 . 13 1 1 A 54 54 GLY H H 51 8.893 8.671 0.222 1
1 630 . 13 1 1 A 54 54 GLY HA2 H 51 4.687 3.464 1.223 1
1 631 . 13 1 1 A 54 54 GLY HA3 H 51 3.127 3.539 -0.412 1
1 632 . 13 1 1 A 54 54 GLY CA C 51 44.040 44.324 -0.284 1
1 633 . 13 1 1 A 54 54 GLY N N 51 108.518 109.025 -0.507 1
1 634 . 13 1 1 A 55 55 PRO HA H 52 3.849 3.590 0.259 1
1 641 . 13 1 1 A 55 55 PRO C C 52 176.695 176.115 0.580 1
1 642 . 13 1 1 A 55 55 PRO CA C 52 63.187 61.762 1.425 1
1 643 . 13 1 1 A 55 55 PRO CB C 52 32.096 31.424 0.672 1
1 646 . 13 1 1 A 56 56 ALA H H 53 7.675 8.012 -0.337 1
1 647 . 13 1 1 A 56 56 ALA HA H 53 4.242 4.819 -0.577 1
1 651 . 13 1 1 A 56 56 ALA CA C 53 49.506 49.639 -0.133 1
1 652 . 13 1 1 A 56 56 ALA CB C 53 18.096 19.691 -1.595 1
1 653 . 13 1 1 A 56 56 ALA N N 53 126.695 124.150 2.545 1
1 654 . 13 1 1 A 57 57 PRO HA H 54 4.186 4.549 -0.363 1
1 661 . 13 1 1 A 57 57 PRO C C 54 179.368 177.021 2.347 1
1 662 . 13 1 1 A 57 57 PRO CA C 54 63.116 63.020 0.096 1
1 663 . 13 1 1 A 57 57 PRO CB C 54 31.747 32.060 -0.313 1
1 666 . 13 1 1 A 58 58 GLN H H 55 8.278 8.356 -0.078 1
1 667 . 13 1 1 A 58 58 GLN HA H 55 4.083 4.388 -0.305 1
1 674 . 13 1 1 A 58 58 GLN C C 55 175.368 175.728 -0.360 1
1 675 . 13 1 1 A 58 58 GLN CA C 55 55.635 54.901 0.734 1
1 676 . 13 1 1 A 58 58 GLN CB C 55 29.927 29.807 0.120 1
1 678 . 13 1 1 A 58 58 GLN N N 55 121.313 119.156 2.157 1
1 680 . 13 1 1 A 59 59 SER H H 56 8.182 8.736 -0.554 1
1 681 . 13 1 1 A 59 59 SER HA H 56 4.246 4.710 -0.464 1
1 684 . 13 1 1 A 59 59 SER C C 56 174.075 173.886 0.189 1
1 685 . 13 1 1 A 59 59 SER CA C 56 57.667 57.364 0.303 1
1 686 . 13 1 1 A 59 59 SER CB C 56 63.751 62.354 1.397 1
1 687 . 13 1 1 A 59 59 SER N N 56 117.615 114.710 2.905 1
1 688 . 13 1 1 A 60 60 PHE H H 57 8.100 7.989 0.111 1
1 689 . 13 1 1 A 60 60 PHE HA H 57 4.493 5.015 -0.522 1
1 696 . 13 1 1 A 60 60 PHE C C 57 175.439 174.632 0.807 1
1 697 . 13 1 1 A 60 60 PHE CA C 57 57.622 55.529 2.093 1
1 698 . 13 1 1 A 60 60 PHE CB C 57 39.519 40.229 -0.710 1
1 703 . 13 1 1 A 60 60 PHE N N 57 121.890 120.088 1.802 1
1 704 . 13 1 1 A 61 61 ALA H H 58 8.234 8.581 -0.347 1
1 705 . 13 1 1 A 61 61 ALA HA H 58 4.165 4.754 -0.589 1
1 709 . 13 1 1 A 61 61 ALA C C 58 179.286 177.278 2.008 1
1 710 . 13 1 1 A 61 61 ALA CA C 58 52.471 50.657 1.814 1
1 711 . 13 1 1 A 61 61 ALA CB C 58 19.444 20.428 -0.984 1
1 712 . 13 1 1 A 61 61 ALA N N 58 124.383 124.511 -0.128 1
1 713 . 13 1 1 A 62 62 ASP H H 59 8.017 9.400 -1.383 1
1 714 . 13 1 1 A 62 62 ASP HA H 59 4.412 4.356 0.056 1
1 717 . 13 1 1 A 62 62 ASP C C 59 176.073 174.829 1.244 1
1 718 . 13 1 1 A 62 62 ASP CA C 59 54.360 55.194 -0.834 1
1 719 . 13 1 1 A 62 62 ASP CB C 59 41.213 39.499 1.714 1
1 720 . 13 1 1 A 62 62 ASP N N 59 118.579 125.103 -6.524 1
1 721 . 13 1 1 A 63 63 ASP H H 60 8.096 8.678 -0.582 1
1 722 . 13 1 1 A 63 63 ASP HA H 60 4.346 4.233 0.113 1
1 725 . 13 1 1 A 63 63 ASP C C 60 176.619 175.731 0.888 1
1 726 . 13 1 1 A 63 63 ASP CA C 60 54.714 55.774 -1.060 1
1 727 . 13 1 1 A 63 63 ASP CB C 60 40.801 39.015 1.786 1
1 728 . 13 1 1 A 63 63 ASP N N 60 119.530 110.642 8.888 1
1 729 . 13 1 1 A 64 64 GLU H H 61 8.109 7.927 0.182 1
1 730 . 13 1 1 A 64 64 GLU HA H 61 4.012 4.106 -0.094 1
1 735 . 13 1 1 A 64 64 GLU C C 61 176.652 178.644 -1.992 1
1 736 . 13 1 1 A 64 64 GLU CA C 61 57.301 59.303 -2.002 1
1 737 . 13 1 1 A 64 64 GLU CB C 61 30.107 29.412 0.695 1
1 739 . 13 1 1 A 64 64 GLU N N 61 120.050 118.264 1.786 1
1 740 . 13 1 1 A 65 65 ASP H H 62 8.062 8.418 -0.356 1
1 741 . 13 1 1 A 65 65 ASP HA H 62 4.369 4.423 -0.054 1
1 744 . 13 1 1 A 65 65 ASP C C 62 177.458 178.319 -0.861 1
1 745 . 13 1 1 A 65 65 ASP CA C 62 54.645 56.306 -1.661 1
1 746 . 13 1 1 A 65 65 ASP CB C 62 40.896 40.622 0.274 1
1 747 . 13 1 1 A 65 65 ASP N N 62 120.211 119.916 0.295 1
1 748 . 13 1 1 A 66 66 ILE H H 63 7.805 7.524 0.281 1
1 749 . 13 1 1 A 66 66 ILE HA H 63 3.708 4.112 -0.404 1
1 759 . 13 1 1 A 66 66 ILE C C 63 176.802 177.304 -0.502 1
1 760 . 13 1 1 A 66 66 ILE CA C 63 62.754 64.682 -1.928 1
1 761 . 13 1 1 A 66 66 ILE CB C 63 38.230 37.986 0.244 1
1 765 . 13 1 1 A 66 66 ILE N N 63 121.259 120.250 1.009 1
1 766 . 13 1 1 A 67 67 MET H H 64 7.950 7.700 0.250 1
1 767 . 13 1 1 A 67 67 MET HA H 64 4.229 4.570 -0.341 1
1 775 . 13 1 1 A 67 67 MET C C 64 176.724 177.238 -0.514 1
1 776 . 13 1 1 A 67 67 MET CA C 64 55.944 54.830 1.114 1
1 777 . 13 1 1 A 67 67 MET CB C 64 31.826 33.971 -2.145 1
1 780 . 13 1 1 A 67 67 MET N N 64 118.533 116.840 1.693 1
1 781 . 13 1 1 A 68 68 ARG H H 65 7.604 7.407 0.197 1
1 782 . 13 1 1 A 68 68 ARG HA H 65 4.197 4.430 -0.233 1
1 789 . 13 1 1 A 68 68 ARG C C 65 175.530 175.733 -0.203 1
1 790 . 13 1 1 A 68 68 ARG CA C 65 56.028 55.723 0.305 1
1 791 . 13 1 1 A 68 68 ARG CB C 65 30.760 31.904 -1.144 1
1 794 . 13 1 1 A 68 68 ARG N N 65 118.706 117.779 0.927 1
1 795 . 13 1 1 A 69 69 ALA H H 66 7.634 7.564 0.070 1
1 796 . 13 1 1 A 69 69 ALA HA H 66 4.254 4.735 -0.481 1
1 800 . 13 1 1 A 69 69 ALA C C 66 176.846 176.211 0.635 1
1 801 . 13 1 1 A 69 69 ALA CA C 66 51.905 51.020 0.885 1
1 802 . 13 1 1 A 69 69 ALA CB C 66 20.023 23.396 -3.373 1
1 803 . 13 1 1 A 69 69 ALA N N 66 123.528 119.326 4.202 1
1 804 . 13 1 1 A 70 70 GLU H H 67 8.192 8.446 -0.254 1
1 805 . 13 1 1 A 70 70 GLU HA H 67 4.228 4.420 -0.192 1
1 810 . 13 1 1 A 70 70 GLU C C 67 176.333 176.317 0.016 1
1 811 . 13 1 1 A 70 70 GLU CA C 67 55.928 55.850 0.078 1
1 812 . 13 1 1 A 70 70 GLU CB C 67 30.769 30.842 -0.073 1
1 814 . 13 1 1 A 70 70 GLU N N 67 120.599 118.818 1.781 1
1 815 . 13 1 1 A 71 71 ARG H H 68 8.674 8.383 0.291 1
1 816 . 13 1 1 A 71 71 ARG HA H 68 3.696 4.178 -0.482 1
1 823 . 13 1 1 A 71 71 ARG C C 68 175.422 175.426 -0.004 1
1 824 . 13 1 1 A 71 71 ARG CA C 68 56.964 56.320 0.644 1
1 825 . 13 1 1 A 71 71 ARG CB C 68 30.886 30.206 0.680 1
1 828 . 13 1 1 A 71 71 ARG N N 68 123.533 120.276 3.257 1
1 829 . 13 1 1 A 72 72 ARG H H 69 7.660 8.739 -1.079 1
1 830 . 13 1 1 A 72 72 ARG HA H 69 4.642 4.714 -0.072 1
1 837 . 13 1 1 A 72 72 ARG C C 69 175.051 175.832 -0.781 1
1 838 . 13 1 1 A 72 72 ARG CA C 69 54.297 55.760 -1.463 1
1 839 . 13 1 1 A 72 72 ARG CB C 69 33.555 31.543 2.012 1
1 842 . 13 1 1 A 72 72 ARG N N 69 120.057 124.613 -4.556 1
1 843 . 13 1 1 A 73 73 PHE H H 70 8.714 8.833 -0.119 1
1 844 . 13 1 1 A 73 73 PHE HA H 70 5.020 4.928 0.092 1
1 852 . 13 1 1 A 73 73 PHE C C 70 173.159 174.679 -1.520 1
1 853 . 13 1 1 A 73 73 PHE CA C 70 57.359 57.039 0.320 1
1 854 . 13 1 1 A 73 73 PHE CB C 70 43.426 42.541 0.885 1
1 860 . 13 1 1 A 73 73 PHE N N 70 119.519 123.862 -4.343 1
1 861 . 13 1 1 A 74 74 GLU H H 71 9.404 9.171 0.233 1
1 862 . 13 1 1 A 74 74 GLU HA H 71 4.996 5.062 -0.066 1
1 867 . 13 1 1 A 74 74 GLU C C 71 175.559 174.857 0.702 1
1 868 . 13 1 1 A 74 74 GLU CA C 71 52.975 54.819 -1.844 1
1 869 . 13 1 1 A 74 74 GLU CB C 71 33.399 33.992 -0.593 1
1 871 . 13 1 1 A 74 74 GLU N N 71 117.679 118.107 -0.428 1
1 872 . 13 1 1 A 75 75 THR H H 72 9.801 9.117 0.684 1
1 873 . 13 1 1 A 75 75 THR HA H 72 4.108 4.654 -0.546 1
1 878 . 13 1 1 A 75 75 THR C C 72 175.065 173.957 1.108 1
1 879 . 13 1 1 A 75 75 THR CA C 72 64.296 62.863 1.433 1
1 880 . 13 1 1 A 75 75 THR CB C 72 67.635 68.773 -1.138 1
1 882 . 13 1 1 A 75 75 THR N N 72 122.320 118.898 3.422 1
1 883 . 13 1 1 A 76 76 ARG H H 73 9.150 8.969 0.181 1
1 884 . 13 1 1 A 76 76 ARG HA H 73 4.283 4.350 -0.067 1
1 892 . 13 1 1 A 76 76 ARG C C 73 176.574 176.595 -0.021 1
1 893 . 13 1 1 A 76 76 ARG CA C 73 55.858 58.096 -2.238 1
1 894 . 13 1 1 A 76 76 ARG CB C 73 30.930 31.119 -0.189 1
1 897 . 13 1 1 A 76 76 ARG N N 73 127.709 128.013 -0.304 1
1 899 . 13 1 1 A 77 77 LEU H H 74 7.520 7.258 0.262 1
1 900 . 13 1 1 A 77 77 LEU HA H 74 4.480 4.871 -0.391 1
1 910 . 13 1 1 A 77 77 LEU C C 74 174.509 175.352 -0.843 1
1 911 . 13 1 1 A 77 77 LEU CA C 74 54.222 52.965 1.257 1
1 912 . 13 1 1 A 77 77 LEU CB C 74 47.315 46.030 1.285 1
1 916 . 13 1 1 A 77 77 LEU N N 74 117.021 118.127 -1.106 1
1 917 . 13 1 1 A 78 78 ALA H H 75 8.600 8.422 0.178 1
1 918 . 13 1 1 A 78 78 ALA HA H 75 4.999 4.645 0.354 1
1 922 . 13 1 1 A 78 78 ALA C C 75 176.343 177.203 -0.860 1
1 923 . 13 1 1 A 78 78 ALA CA C 75 50.324 51.755 -1.431 1
1 924 . 13 1 1 A 78 78 ALA CB C 75 21.074 21.986 -0.912 1
1 925 . 13 1 1 A 78 78 ALA N N 75 124.663 122.077 2.586 1
1 926 . 13 1 1 A 79 79 GLY H H 76 8.730 8.705 0.025 1
1 927 . 13 1 1 A 79 79 GLY HA2 H 76 3.706 3.846 -0.140 1
1 928 . 13 1 1 A 79 79 GLY HA3 H 76 3.306 3.846 -0.540 1
1 929 . 13 1 1 A 79 79 GLY C C 76 175.173 174.095 1.078 1
1 930 . 13 1 1 A 79 79 GLY CA C 76 47.520 46.771 0.749 1
1 931 . 13 1 1 A 79 79 GLY N N 76 114.411 111.474 2.937 1
1 932 . 13 1 1 A 80 80 VAL H H 77 8.380 7.876 0.504 1
1 933 . 13 1 1 A 80 80 VAL HA H 77 4.643 4.654 -0.011 1
1 941 . 13 1 1 A 80 80 VAL C C 77 175.208 174.744 0.464 1
1 942 . 13 1 1 A 80 80 VAL CA C 77 59.289 59.809 -0.520 1
1 943 . 13 1 1 A 80 80 VAL CB C 77 34.226 34.430 -0.204 1
1 946 . 13 1 1 A 80 80 VAL N N 77 112.611 116.570 -3.959 1
1 947 . 13 1 1 A 81 81 GLU H H 78 8.415 8.395 0.020 1
1 948 . 13 1 1 A 81 81 GLU HA H 78 4.451 4.743 -0.292 1
1 953 . 13 1 1 A 81 81 GLU C C 78 178.955 177.859 1.096 1
1 954 . 13 1 1 A 81 81 GLU CA C 78 55.631 54.234 1.397 1
1 955 . 13 1 1 A 81 81 GLU CB C 78 30.535 31.348 -0.813 1
1 957 . 13 1 1 A 81 81 GLU N N 78 117.186 118.921 -1.735 1
1 958 . 13 1 1 A 82 82 GLY H H 79 8.834 8.951 -0.117 1
1 959 . 13 1 1 A 82 82 GLY HA2 H 79 3.810 3.860 -0.050 1
1 960 . 13 1 1 A 82 82 GLY HA3 H 79 3.518 3.860 -0.342 1
1 961 . 13 1 1 A 82 82 GLY C C 79 176.446 175.785 0.661 1
1 962 . 13 1 1 A 82 82 GLY CA C 79 47.629 46.926 0.703 1
1 963 . 13 1 1 A 82 82 GLY N N 79 109.312 107.847 1.465 1
1 964 . 13 1 1 A 83 83 GLU H H 80 8.747 8.182 0.565 1
1 965 . 13 1 1 A 83 83 GLU HA H 80 3.972 4.051 -0.079 1
1 970 . 13 1 1 A 83 83 GLU C C 80 179.046 179.036 0.010 1
1 971 . 13 1 1 A 83 83 GLU CA C 80 59.403 59.351 0.052 1
1 972 . 13 1 1 A 83 83 GLU CB C 80 29.005 29.169 -0.164 1
1 974 . 13 1 1 A 83 83 GLU N N 80 119.416 121.327 -1.911 1
1 975 . 13 1 1 A 84 84 GLU H H 81 7.588 7.837 -0.249 1
1 976 . 13 1 1 A 84 84 GLU HA H 81 4.003 4.070 -0.067 1
1 981 . 13 1 1 A 84 84 GLU C C 81 179.682 179.396 0.286 1
1 982 . 13 1 1 A 84 84 GLU CA C 81 59.213 59.202 0.011 1
1 983 . 13 1 1 A 84 84 GLU CB C 81 29.473 29.611 -0.138 1
1 985 . 13 1 1 A 84 84 GLU N N 81 120.110 119.146 0.964 1
1 986 . 13 1 1 A 85 85 ILE H H 82 6.936 8.023 -1.087 1
1 987 . 13 1 1 A 85 85 ILE HA H 82 3.356 3.591 -0.235 1
1 997 . 13 1 1 A 85 85 ILE C C 82 177.308 177.884 -0.576 1
1 998 . 13 1 1 A 85 85 ILE CA C 82 64.055 65.925 -1.870 1
1 999 . 13 1 1 A 85 85 ILE CB C 82 36.836 38.205 -1.369 1
1 1003 . 13 1 1 A 85 85 ILE N N 82 120.268 121.440 -1.172 1
1 1004 . 13 1 1 A 86 86 ALA H H 83 8.292 8.384 -0.092 1
1 1005 . 13 1 1 A 86 86 ALA HA H 83 3.787 4.005 -0.218 1
1 1009 . 13 1 1 A 86 86 ALA C C 83 180.345 179.984 0.361 1
1 1010 . 13 1 1 A 86 86 ALA CA C 83 55.103 55.228 -0.125 1
1 1011 . 13 1 1 A 86 86 ALA CB C 83 17.928 18.172 -0.244 1
1 1012 . 13 1 1 A 86 86 ALA N N 83 121.052 121.417 -0.365 1
1 1013 . 13 1 1 A 87 87 ALA H H 84 7.516 7.748 -0.232 1
1 1014 . 13 1 1 A 87 87 ALA HA H 84 4.006 4.112 -0.106 1
1 1018 . 13 1 1 A 87 87 ALA C C 84 180.272 179.231 1.041 1
1 1019 . 13 1 1 A 87 87 ALA CA C 84 54.765 55.059 -0.294 1
1 1020 . 13 1 1 A 87 87 ALA CB C 84 17.949 18.398 -0.449 1
1 1021 . 13 1 1 A 87 87 ALA N N 84 119.052 120.336 -1.284 1
1 1022 . 13 1 1 A 88 88 LEU H H 85 7.285 7.621 -0.336 1
1 1023 . 13 1 1 A 88 88 LEU HA H 85 4.042 4.178 -0.136 1
1 1033 . 13 1 1 A 88 88 LEU C C 85 174.921 178.668 -3.747 1
1 1034 . 13 1 1 A 88 88 LEU CA C 85 58.290 57.318 0.972 1
1 1035 . 13 1 1 A 88 88 LEU CB C 85 41.610 42.225 -0.615 1
1 1039 . 13 1 1 A 88 88 LEU N N 85 121.211 119.789 1.422 1
1 1040 . 13 1 1 A 89 89 LEU H H 86 8.472 8.224 0.248 1
1 1041 . 13 1 1 A 89 89 LEU HA H 86 3.486 3.855 -0.369 1
1 1051 . 13 1 1 A 89 89 LEU C C 86 178.855 179.580 -0.725 1
1 1052 . 13 1 1 A 89 89 LEU CA C 86 57.476 57.190 0.286 1
1 1053 . 13 1 1 A 89 89 LEU CB C 86 41.478 40.782 0.696 1
1 1057 . 13 1 1 A 89 89 LEU N N 86 118.740 118.397 0.343 1
1 1058 . 13 1 1 A 90 90 GLU H H 87 7.926 8.862 -0.936 1
1 1059 . 13 1 1 A 90 90 GLU HA H 87 3.726 3.981 -0.255 1
1 1064 . 13 1 1 A 90 90 GLU C C 87 178.738 178.666 0.072 1
1 1065 . 13 1 1 A 90 90 GLU CA C 87 59.511 58.995 0.516 1
1 1066 . 13 1 1 A 90 90 GLU CB C 87 28.855 29.141 -0.286 1
1 1068 . 13 1 1 A 90 90 GLU N N 87 119.669 118.003 1.666 1
1 1069 . 13 1 1 A 91 91 ARG H H 88 7.069 7.858 -0.789 1
1 1070 . 13 1 1 A 91 91 ARG HA H 88 3.762 4.136 -0.374 1
1 1077 . 13 1 1 A 91 91 ARG C C 88 178.920 179.203 -0.283 1
1 1078 . 13 1 1 A 91 91 ARG CA C 88 59.544 59.449 0.095 1
1 1079 . 13 1 1 A 91 91 ARG CB C 88 29.723 30.544 -0.821 1
1 1082 . 13 1 1 A 91 91 ARG N N 88 119.088 119.438 -0.350 1
1 1083 . 13 1 1 A 92 92 GLU H H 89 8.170 8.228 -0.058 1
1 1084 . 13 1 1 A 92 92 GLU HA H 89 4.021 4.154 -0.133 1
1 1089 . 13 1 1 A 92 92 GLU C C 89 180.250 179.565 0.685 1
1 1090 . 13 1 1 A 92 92 GLU CA C 89 58.661 58.893 -0.232 1
1 1091 . 13 1 1 A 92 92 GLU CB C 89 28.073 28.953 -0.880 1
1 1093 . 13 1 1 A 92 92 GLU N N 89 117.768 119.787 -2.019 1
1 1094 . 13 1 1 A 93 93 ARG H H 90 8.355 7.926 0.429 1
1 1095 . 13 1 1 A 93 93 ARG HA H 90 4.003 4.037 -0.034 1
1 1102 . 13 1 1 A 93 93 ARG C C 90 177.592 178.526 -0.934 1
1 1103 . 13 1 1 A 93 93 ARG CA C 90 57.744 59.021 -1.277 1
1 1104 . 13 1 1 A 93 93 ARG CB C 90 30.325 29.692 0.633 1
1 1107 . 13 1 1 A 93 93 ARG N N 90 119.179 118.959 0.220 1
1 1108 . 13 1 1 A 94 94 ARG H H 91 7.232 7.423 -0.191 1
1 1109 . 13 1 1 A 94 94 ARG HA H 91 3.788 3.917 -0.129 1
1 1116 . 13 1 1 A 94 94 ARG C C 91 177.986 178.953 -0.967 1
1 1117 . 13 1 1 A 94 94 ARG CA C 91 58.462 58.905 -0.443 1
1 1118 . 13 1 1 A 94 94 ARG CB C 91 29.565 29.635 -0.070 1
1 1121 . 13 1 1 A 94 94 ARG N N 91 118.441 119.960 -1.519 1
1 1122 . 13 1 1 A 95 95 PHE H H 92 7.048 7.854 -0.806 1
1 1123 . 13 1 1 A 95 95 PHE HA H 92 4.474 4.314 0.160 1
1 1128 . 13 1 1 A 95 95 PHE C C 92 175.728 175.867 -0.139 1
1 1129 . 13 1 1 A 95 95 PHE CA C 92 58.210 59.688 -1.478 1
1 1130 . 13 1 1 A 95 95 PHE CB C 92 39.724 38.855 0.869 1
1 1133 . 13 1 1 A 95 95 PHE N N 92 115.951 117.584 -1.633 1
1 1134 . 13 1 1 A 96 96 ASP H H 93 7.793 8.146 -0.353 1
1 1135 . 13 1 1 A 96 96 ASP HA H 93 4.703 4.951 -0.248 1
1 1138 . 13 1 1 A 96 96 ASP C C 93 179.474 175.756 3.718 1
1 1139 . 13 1 1 A 96 96 ASP CA C 93 53.103 53.503 -0.400 1
1 1140 . 13 1 1 A 96 96 ASP CB C 93 41.634 42.616 -0.982 1
1 1141 . 13 1 1 A 96 96 ASP N N 93 119.328 117.620 1.708 1
1 1142 . 13 1 1 A 97 97 SER H H 94 8.490 8.917 -0.427 1
1 1143 . 13 1 1 A 97 97 SER HA H 94 4.204 4.448 -0.244 1
1 1146 . 13 1 1 A 97 97 SER C C 94 175.549 174.845 0.704 1
1 1147 . 13 1 1 A 97 97 SER CA C 94 60.047 59.509 0.538 1
1 1148 . 13 1 1 A 97 97 SER CB C 94 63.408 62.971 0.437 1
1 1149 . 13 1 1 A 97 97 SER N N 94 118.740 120.318 -1.578 1
1 1150 . 13 1 1 A 98 98 ASP H H 95 8.229 8.162 0.067 1
1 1151 . 13 1 1 A 98 98 ASP HA H 95 4.684 4.540 0.144 1
1 1154 . 13 1 1 A 98 98 ASP C C 95 175.547 176.384 -0.837 1
1 1155 . 13 1 1 A 98 98 ASP CA C 95 54.380 54.486 -0.106 1
1 1156 . 13 1 1 A 98 98 ASP CB C 95 42.267 39.783 2.484 1
1 1157 . 13 1 1 A 98 98 ASP N N 95 121.306 117.650 3.656 1
1 1158 . 13 1 1 A 99 99 LEU H H 96 6.613 7.503 -0.890 1
1 1159 . 13 1 1 A 99 99 LEU HA H 96 4.801 5.069 -0.268 1
1 1169 . 13 1 1 A 99 99 LEU C C 96 176.224 176.084 0.140 1
1 1170 . 13 1 1 A 99 99 LEU CA C 96 55.691 53.907 1.784 1
1 1171 . 13 1 1 A 99 99 LEU CB C 96 42.272 43.403 -1.131 1
1 1175 . 13 1 1 A 99 99 LEU N N 96 117.774 116.308 1.466 1
1 1176 . 13 1 1 A 100 100 TRP H H 97 9.750 9.533 0.217 1
1 1177 . 13 1 1 A 100 100 TRP HA H 97 4.757 5.533 -0.776 1
1 1186 . 13 1 1 A 100 100 TRP C C 97 176.737 175.204 1.533 1
1 1187 . 13 1 1 A 100 100 TRP CA C 97 55.634 55.277 0.357 1
1 1188 . 13 1 1 A 100 100 TRP CB C 97 31.794 31.957 -0.163 1
1 1194 . 13 1 1 A 100 100 TRP N N 97 120.649 120.605 0.044 1
1 1196 . 13 1 1 A 101 101 VAL H H 98 9.096 8.945 0.151 1
1 1197 . 13 1 1 A 101 101 VAL HA H 98 5.018 5.520 -0.502 1
1 1205 . 13 1 1 A 101 101 VAL C C 98 175.816 175.140 0.676 1
1 1206 . 13 1 1 A 101 101 VAL CA C 98 61.998 61.404 0.594 1
1 1207 . 13 1 1 A 101 101 VAL CB C 98 34.180 33.343 0.837 1
1 1210 . 13 1 1 A 101 101 VAL N N 98 117.960 123.220 -5.260 1
1 1211 . 13 1 1 A 102 102 VAL H H 99 9.113 8.984 0.129 1
1 1212 . 13 1 1 A 102 102 VAL HA H 99 4.546 4.743 -0.197 1
1 1220 . 13 1 1 A 102 102 VAL C C 99 173.388 174.787 -1.399 1
1 1221 . 13 1 1 A 102 102 VAL CA C 99 60.987 61.162 -0.175 1
1 1222 . 13 1 1 A 102 102 VAL CB C 99 34.654 35.151 -0.497 1
1 1225 . 13 1 1 A 102 102 VAL N N 99 129.775 127.793 1.982 1
1 1226 . 13 1 1 A 103 103 GLU H H 100 9.226 8.878 0.348 1
1 1227 . 13 1 1 A 103 103 GLU HA H 100 5.376 4.704 0.672 1
1 1232 . 13 1 1 A 103 103 GLU C C 100 175.058 176.300 -1.242 1
1 1233 . 13 1 1 A 103 103 GLU CA C 100 54.158 55.917 -1.759 1
1 1234 . 13 1 1 A 103 103 GLU CB C 100 31.835 30.207 1.628 1
1 1236 . 13 1 1 A 103 103 GLU N N 100 128.249 127.149 1.100 1
1 1237 . 13 1 1 A 104 104 ILE H H 101 9.141 8.903 0.238 1
1 1238 . 13 1 1 A 104 104 ILE HA H 101 5.021 5.303 -0.282 1
1 1248 . 13 1 1 A 104 104 ILE C C 101 173.727 174.100 -0.373 1
1 1249 . 13 1 1 A 104 104 ILE CA C 101 59.226 59.215 0.011 1
1 1250 . 13 1 1 A 104 104 ILE CB C 101 42.192 40.192 2.000 1
1 1254 . 13 1 1 A 104 104 ILE N N 101 118.638 121.557 -2.919 1
1 1255 . 13 1 1 A 105 105 GLU H H 102 9.018 8.988 0.030 1
1 1256 . 13 1 1 A 105 105 GLU HA H 102 4.800 5.376 -0.576 1
1 1261 . 13 1 1 A 105 105 GLU C C 102 174.832 175.113 -0.281 1
1 1262 . 13 1 1 A 105 105 GLU CA C 102 55.362 54.793 0.569 1
1 1263 . 13 1 1 A 105 105 GLU CB C 102 31.160 33.056 -1.896 1
1 1265 . 13 1 1 A 105 105 GLU N N 102 125.842 123.448 2.394 1
1 1266 . 13 1 1 A 106 106 THR H H 103 7.678 8.527 -0.849 1
1 1267 . 13 1 1 A 106 106 THR HA H 103 4.424 4.830 -0.406 1
1 1272 . 13 1 1 A 106 106 THR C C 103 172.175 172.399 -0.224 1
1 1273 . 13 1 1 A 106 106 THR CA C 103 60.772 60.522 0.250 1
1 1274 . 13 1 1 A 106 106 THR CB C 103 67.599 69.575 -1.976 1
1 1276 . 13 1 1 A 106 106 THR N N 103 118.569 119.702 -1.133 1
1 1277 . 13 1 1 A 107 107 ASP H H 104 8.400 8.904 -0.504 1
1 1278 . 13 1 1 A 107 107 ASP HA H 104 4.635 4.669 -0.034 1
1 1281 . 13 1 1 A 107 107 ASP C C 104 176.214 176.223 -0.009 1
1 1282 . 13 1 1 A 107 107 ASP CA C 104 55.771 54.310 1.461 1
1 1283 . 13 1 1 A 107 107 ASP CB C 104 41.463 42.315 -0.852 1
1 1284 . 13 1 1 A 107 107 ASP N N 104 125.388 124.870 0.518 1
1 1285 . 13 1 1 A 108 108 GLU H H 105 7.995 7.766 0.229 1
1 1286 . 13 1 1 A 108 108 GLU HA H 105 4.524 4.520 0.004 1
1 1291 . 13 1 1 A 108 108 GLU C C 105 175.340 175.973 -0.633 1
1 1292 . 13 1 1 A 108 108 GLU CA C 105 54.564 55.662 -1.098 1
1 1293 . 13 1 1 A 108 108 GLU CB C 105 30.953 29.514 1.439 1
1 1295 . 13 1 1 A 108 108 GLU N N 105 120.222 116.146 4.076 1
1 1296 . 13 1 1 A 109 109 ILE H H 106 8.389 8.589 -0.200 1
1 1297 . 13 1 1 A 109 109 ILE HA H 106 3.853 3.937 -0.084 1
1 1307 . 13 1 1 A 109 109 ILE C C 106 176.324 177.748 -1.424 1
1 1308 . 13 1 1 A 109 109 ILE CA C 106 60.148 64.045 -3.897 1
1 1309 . 13 1 1 A 109 109 ILE CB C 106 38.950 38.301 0.649 1
1 1313 . 13 1 1 A 109 109 ILE N N 106 124.088 125.330 -1.242 1
1 1314 . 13 1 1 A 110 110 GLY H H 107 8.534 8.232 0.302 1
1 1315 . 13 1 1 A 110 110 GLY HA2 H 107 3.744 3.818 -0.074 1
1 1316 . 13 1 1 A 110 110 GLY HA3 H 107 3.705 3.841 -0.136 1
1 1317 . 13 1 1 A 110 110 GLY C C 107 175.021 175.282 -0.261 1
1 1318 . 13 1 1 A 110 110 GLY CA C 107 46.530 46.420 0.110 1
1 1319 . 13 1 1 A 110 110 GLY N N 107 109.224 109.229 -0.005 1
1 1320 . 13 1 1 A 111 111 THR H H 108 7.892 7.827 0.065 1
1 1321 . 13 1 1 A 111 111 THR HA H 108 4.255 4.171 0.084 1
1 1326 . 13 1 1 A 111 111 THR C C 108 175.417 175.176 0.241 1
1 1327 . 13 1 1 A 111 111 THR CA C 108 61.287 64.585 -3.298 1
1 1328 . 13 1 1 A 111 111 THR CB C 108 68.657 69.170 -0.513 1
1 1330 . 13 1 1 A 111 111 THR N N 108 111.278 116.073 -4.795 1
1 1331 . 13 1 1 A 112 112 LEU H H 109 7.950 7.436 0.514 1
1 1332 . 13 1 1 A 112 112 LEU HA H 109 3.887 4.574 -0.687 1
1 1342 . 13 1 1 A 112 112 LEU C C 109 175.715 175.994 -0.279 1
1 1343 . 13 1 1 A 112 112 LEU CA C 109 56.661 53.942 2.719 1
1 1344 . 13 1 1 A 112 112 LEU CB C 109 43.310 43.279 0.031 1
1 1348 . 13 1 1 A 112 112 LEU N N 109 122.017 114.301 7.716 1
1 1349 . 13 1 1 A 113 113 LEU H H 110 7.003 7.154 -0.151 1
1 1350 . 13 1 1 A 113 113 LEU HA H 110 4.327 4.526 -0.199 1
1 1360 . 13 1 1 A 113 113 LEU C C 110 175.563 173.920 1.643 1
1 1361 . 13 1 1 A 113 113 LEU CA C 110 52.377 54.346 -1.969 1
1 1362 . 13 1 1 A 113 113 LEU CB C 110 44.890 45.176 -0.286 1
1 1366 . 13 1 1 A 113 113 LEU N N 110 113.184 120.222 -7.038 1
1 1367 . 13 1 1 A 114 114 THR H H 111 9.101 8.747 0.354 1
1 1368 . 13 1 1 A 114 114 THR HA H 111 4.079 4.920 -0.841 1
1 1373 . 13 1 1 A 114 114 THR C C 111 173.117 173.947 -0.830 1
1 1374 . 13 1 1 A 114 114 THR CA C 111 62.838 62.072 0.766 1
1 1375 . 13 1 1 A 114 114 THR CB C 111 68.245 70.102 -1.857 1
1 1377 . 13 1 1 A 114 114 THR N N 111 119.602 123.107 -3.505 1
1 1378 . 13 1 1 A 115 115 LEU H H 112 8.461 8.798 -0.337 1
1 1379 . 13 1 1 A 115 115 LEU HA H 112 4.985 5.411 -0.426 1
1 1389 . 13 1 1 A 115 115 LEU C C 112 178.488 176.915 1.573 1
1 1390 . 13 1 1 A 115 115 LEU CA C 112 52.953 53.652 -0.699 1
1 1391 . 13 1 1 A 115 115 LEU CB C 112 43.316 45.940 -2.624 1
1 1395 . 13 1 1 A 115 115 LEU N N 112 129.372 126.876 2.496 1
1 1396 . 13 1 1 A 116 116 VAL H H 113 8.550 9.052 -0.502 1
1 1397 . 13 1 1 A 116 116 VAL HA H 113 4.141 3.893 0.248 1
1 1405 . 13 1 1 A 116 116 VAL C C 113 175.638 177.287 -1.649 1
1 1406 . 13 1 1 A 116 116 VAL CA C 113 61.559 65.037 -3.478 1
1 1407 . 13 1 1 A 116 116 VAL CB C 113 32.128 31.632 0.496 1
1 1410 . 13 1 1 A 116 116 VAL N N 113 117.300 123.013 -5.713 1
1 1411 . 13 1 1 A 117 117 ASP H H 114 8.095 8.192 -0.097 1
1 1412 . 13 1 1 A 117 117 ASP HA H 114 4.561 4.422 0.139 1
1 1415 . 13 1 1 A 117 117 ASP C C 114 175.610 176.779 -1.169 1
1 1416 . 13 1 1 A 117 117 ASP CA C 114 53.586 57.460 -3.874 1
1 1417 . 13 1 1 A 117 117 ASP CB C 114 41.131 41.431 -0.300 1
1 1418 . 13 1 1 A 117 117 ASP N N 114 121.410 121.611 -0.201 1
1 1419 . 13 1 1 A 118 118 GLN H H 115 8.048 7.823 0.225 1
1 1420 . 13 1 1 A 118 118 GLN HA H 115 4.539 4.518 0.021 1
1 1427 . 13 1 1 A 118 118 GLN CA C 115 53.464 54.273 -0.809 1
1 1428 . 13 1 1 A 118 118 GLN CB C 115 29.143 28.093 1.050 1
1 1430 . 13 1 1 A 118 118 GLN N N 115 120.387 117.832 2.555 1
1 1432 . 13 1 1 A 119 119 PRO HA H 116 4.314 4.565 -0.251 1
1 1439 . 13 1 1 A 119 119 PRO C C 116 176.819 177.443 -0.624 1
1 1440 . 13 1 1 A 119 119 PRO CA C 116 63.073 62.925 0.148 1
1 1441 . 13 1 1 A 119 119 PRO CB C 116 32.117 32.688 -0.571 1
1 1444 . 13 1 1 A 120 120 GLN H H 117 8.404 8.852 -0.448 1
1 1445 . 13 1 1 A 120 120 GLN HA H 117 4.172 3.986 0.186 1
1 1452 . 13 1 1 A 120 120 GLN C C 117 174.745 176.151 -1.406 1
1 1453 . 13 1 1 A 120 120 GLN CA C 117 55.531 59.175 -3.644 1
1 1454 . 13 1 1 A 120 120 GLN CB C 117 29.529 29.509 0.020 1
1 1456 . 13 1 1 A 120 120 GLN N N 117 121.403 121.843 -0.440 1
1 14 . 14 1 1 A 5 5 ARG H H 2 8.281 8.582 -0.301 1
1 15 . 14 1 1 A 5 5 ARG HA H 2 4.126 4.591 -0.465 1
1 22 . 14 1 1 A 5 5 ARG C C 2 176.387 175.601 0.786 1
1 23 . 14 1 1 A 5 5 ARG CA C 2 56.556 56.217 0.339 1
1 24 . 14 1 1 A 5 5 ARG CB C 2 30.698 29.871 0.827 1
1 27 . 14 1 1 A 5 5 ARG N N 2 123.269 123.561 -0.292 1
1 28 . 14 1 1 A 6 6 LEU H H 3 8.527 8.170 0.357 1
1 29 . 14 1 1 A 6 6 LEU HA H 3 4.414 5.016 -0.602 1
1 39 . 14 1 1 A 6 6 LEU C C 3 178.040 175.858 2.182 1
1 40 . 14 1 1 A 6 6 LEU CA C 3 54.270 53.165 1.105 1
1 41 . 14 1 1 A 6 6 LEU CB C 3 43.612 45.459 -1.847 1
1 45 . 14 1 1 A 6 6 LEU N N 3 125.588 119.203 6.385 1
1 46 . 14 1 1 A 7 7 LYS H H 4 8.646 8.710 -0.064 1
1 47 . 14 1 1 A 7 7 LYS HA H 4 4.524 4.347 0.177 1
1 56 . 14 1 1 A 7 7 LYS C C 4 178.029 178.326 -0.297 1
1 57 . 14 1 1 A 7 7 LYS CA C 4 57.051 56.534 0.517 1
1 58 . 14 1 1 A 7 7 LYS CB C 4 32.877 33.126 -0.249 1
1 62 . 14 1 1 A 7 7 LYS N N 4 123.765 120.329 3.436 1
1 63 . 14 1 1 A 8 8 SER H H 5 8.316 8.759 -0.443 1
1 64 . 14 1 1 A 8 8 SER HA H 5 3.720 3.983 -0.263 1
1 67 . 14 1 1 A 8 8 SER C C 5 174.858 176.241 -1.383 1
1 68 . 14 1 1 A 8 8 SER CA C 5 63.553 61.821 1.732 1
1 69 . 14 1 1 A 8 8 SER CB C 5 62.382 62.866 -0.484 1
1 70 . 14 1 1 A 8 8 SER N N 5 122.163 117.303 4.860 1
1 71 . 14 1 1 A 9 9 GLU H H 6 8.913 8.113 0.800 1
1 72 . 14 1 1 A 9 9 GLU HA H 6 3.401 2.988 0.413 1
1 77 . 14 1 1 A 9 9 GLU C C 6 177.494 178.428 -0.934 1
1 78 . 14 1 1 A 9 9 GLU CA C 6 59.824 58.672 1.152 1
1 79 . 14 1 1 A 9 9 GLU CB C 6 29.780 29.160 0.620 1
1 81 . 14 1 1 A 9 9 GLU N N 6 118.372 121.584 -3.212 1
1 82 . 14 1 1 A 10 10 MET H H 7 6.642 8.092 -1.450 1
1 83 . 14 1 1 A 10 10 MET HA H 7 4.200 4.113 0.087 1
1 91 . 14 1 1 A 10 10 MET C C 7 178.173 178.203 -0.030 1
1 92 . 14 1 1 A 10 10 MET CA C 7 57.360 58.384 -1.024 1
1 93 . 14 1 1 A 10 10 MET CB C 7 32.761 32.187 0.574 1
1 96 . 14 1 1 A 10 10 MET N N 7 117.318 119.009 -1.691 1
1 97 . 14 1 1 A 11 11 PHE H H 8 8.432 7.851 0.581 1
1 98 . 14 1 1 A 11 11 PHE HA H 8 3.718 4.126 -0.408 1
1 105 . 14 1 1 A 11 11 PHE C C 8 177.603 176.968 0.635 1
1 106 . 14 1 1 A 11 11 PHE CA C 8 61.845 61.346 0.499 1
1 107 . 14 1 1 A 11 11 PHE CB C 8 38.595 39.055 -0.460 1
1 112 . 14 1 1 A 11 11 PHE N N 8 122.099 121.141 0.958 1
1 113 . 14 1 1 A 12 12 VAL H H 9 8.133 8.394 -0.261 1
1 114 . 14 1 1 A 12 12 VAL HA H 9 3.021 3.526 -0.505 1
1 122 . 14 1 1 A 12 12 VAL C C 9 176.668 177.978 -1.310 1
1 123 . 14 1 1 A 12 12 VAL CA C 9 67.353 66.494 0.859 1
1 124 . 14 1 1 A 12 12 VAL CB C 9 31.238 31.317 -0.079 1
1 127 . 14 1 1 A 12 12 VAL N N 9 119.317 118.806 0.511 1
1 128 . 14 1 1 A 13 13 SER H H 10 7.750 7.898 -0.148 1
1 129 . 14 1 1 A 13 13 SER HA H 10 3.905 4.063 -0.158 1
1 132 . 14 1 1 A 13 13 SER C C 10 176.947 176.641 0.306 1
1 133 . 14 1 1 A 13 13 SER CA C 10 61.775 61.923 -0.148 1
1 134 . 14 1 1 A 13 13 SER CB C 10 62.483 62.713 -0.230 1
1 135 . 14 1 1 A 13 13 SER N N 10 114.115 115.619 -1.504 1
1 136 . 14 1 1 A 14 14 ALA H H 11 7.776 7.759 0.017 1
1 137 . 14 1 1 A 14 14 ALA HA H 11 3.860 4.119 -0.259 1
1 141 . 14 1 1 A 14 14 ALA C C 11 179.154 179.714 -0.560 1
1 142 . 14 1 1 A 14 14 ALA CA C 11 54.811 54.859 -0.048 1
1 143 . 14 1 1 A 14 14 ALA CB C 11 17.641 17.866 -0.225 1
1 144 . 14 1 1 A 14 14 ALA N N 11 123.170 123.525 -0.355 1
1 145 . 14 1 1 A 15 15 LEU H H 12 7.732 8.202 -0.470 1
1 146 . 14 1 1 A 15 15 LEU HA H 12 3.636 3.881 -0.245 1
1 156 . 14 1 1 A 15 15 LEU C C 12 177.617 178.457 -0.840 1
1 157 . 14 1 1 A 15 15 LEU CA C 12 57.790 57.782 0.008 1
1 158 . 14 1 1 A 15 15 LEU CB C 12 41.352 41.345 0.007 1
1 162 . 14 1 1 A 15 15 LEU N N 12 121.171 118.600 2.571 1
1 163 . 14 1 1 A 16 16 ILE H H 13 8.037 7.959 0.078 1
1 164 . 14 1 1 A 16 16 ILE HA H 13 3.061 3.562 -0.501 1
1 174 . 14 1 1 A 16 16 ILE C C 13 177.708 178.599 -0.891 1
1 175 . 14 1 1 A 16 16 ILE CA C 13 65.872 64.800 1.072 1
1 176 . 14 1 1 A 16 16 ILE CB C 13 37.704 37.443 0.261 1
1 180 . 14 1 1 A 16 16 ILE N N 13 117.849 119.828 -1.979 1
1 181 . 14 1 1 A 17 17 ARG H H 14 7.537 7.647 -0.110 1
1 182 . 14 1 1 A 17 17 ARG HA H 14 3.980 4.143 -0.163 1
1 189 . 14 1 1 A 17 17 ARG C C 14 179.876 178.856 1.020 1
1 190 . 14 1 1 A 17 17 ARG CA C 14 59.920 59.166 0.754 1
1 191 . 14 1 1 A 17 17 ARG CB C 14 29.995 29.654 0.341 1
1 194 . 14 1 1 A 17 17 ARG N N 14 117.366 120.747 -3.381 1
1 195 . 14 1 1 A 18 18 ARG H H 15 8.068 7.814 0.254 1
1 196 . 14 1 1 A 18 18 ARG HA H 15 3.868 3.992 -0.124 1
1 203 . 14 1 1 A 18 18 ARG C C 15 176.630 178.991 -2.361 1
1 204 . 14 1 1 A 18 18 ARG CA C 15 59.606 59.422 0.184 1
1 205 . 14 1 1 A 18 18 ARG CB C 15 30.327 30.394 -0.067 1
1 208 . 14 1 1 A 18 18 ARG N N 15 119.713 119.639 0.074 1
1 209 . 14 1 1 A 19 19 VAL H H 16 8.259 7.481 0.778 1
1 210 . 14 1 1 A 19 19 VAL HA H 16 3.296 3.702 -0.406 1
1 218 . 14 1 1 A 19 19 VAL C C 16 177.306 178.053 -0.747 1
1 219 . 14 1 1 A 19 19 VAL CA C 16 66.667 65.401 1.266 1
1 220 . 14 1 1 A 19 19 VAL CB C 16 30.421 31.465 -1.044 1
1 223 . 14 1 1 A 19 19 VAL N N 16 121.385 117.028 4.357 1
1 224 . 14 1 1 A 20 20 PHE H H 17 8.014 7.712 0.302 1
1 225 . 14 1 1 A 20 20 PHE HA H 17 4.222 4.314 -0.092 1
1 233 . 14 1 1 A 20 20 PHE C C 17 180.973 178.060 2.913 1
1 234 . 14 1 1 A 20 20 PHE CA C 17 61.988 61.360 0.628 1
1 235 . 14 1 1 A 20 20 PHE CB C 17 38.553 37.740 0.813 1
1 241 . 14 1 1 A 20 20 PHE N N 17 118.811 120.082 -1.271 1
1 242 . 14 1 1 A 21 21 ALA H H 18 8.192 8.028 0.164 1
1 243 . 14 1 1 A 21 21 ALA HA H 18 4.096 4.176 -0.080 1
1 247 . 14 1 1 A 21 21 ALA C C 18 178.425 178.972 -0.547 1
1 248 . 14 1 1 A 21 21 ALA CA C 18 54.716 54.679 0.037 1
1 249 . 14 1 1 A 21 21 ALA CB C 18 17.752 18.110 -0.358 1
1 250 . 14 1 1 A 21 21 ALA N N 18 122.995 121.606 1.389 1
1 251 . 14 1 1 A 22 22 ALA H H 19 7.256 7.281 -0.025 1
1 252 . 14 1 1 A 22 22 ALA HA H 19 4.356 4.364 -0.008 1
1 256 . 14 1 1 A 22 22 ALA C C 19 177.665 177.527 0.138 1
1 257 . 14 1 1 A 22 22 ALA CA C 19 51.629 51.846 -0.217 1
1 258 . 14 1 1 A 22 22 ALA CB C 19 18.554 19.067 -0.513 1
1 259 . 14 1 1 A 22 22 ALA N N 19 118.872 117.808 1.064 1
1 260 . 14 1 1 A 23 23 GLY H H 20 7.774 8.532 -0.758 1
1 261 . 14 1 1 A 23 23 GLY HA2 H 20 4.207 3.973 0.234 1
1 262 . 14 1 1 A 23 23 GLY HA3 H 20 3.762 3.997 -0.235 1
1 263 . 14 1 1 A 23 23 GLY C C 20 174.779 174.573 0.206 1
1 264 . 14 1 1 A 23 23 GLY CA C 20 45.347 46.547 -1.200 1
1 265 . 14 1 1 A 23 23 GLY N N 20 106.718 108.311 -1.593 1
1 266 . 14 1 1 A 24 24 GLY H H 21 7.795 8.098 -0.303 1
1 267 . 14 1 1 A 24 24 GLY HA2 H 21 4.538 4.087 0.451 1
1 268 . 14 1 1 A 24 24 GLY HA3 H 21 3.306 4.136 -0.830 1
1 269 . 14 1 1 A 24 24 GLY C C 21 171.187 171.907 -0.720 1
1 270 . 14 1 1 A 24 24 GLY CA C 21 43.665 44.239 -0.574 1
1 271 . 14 1 1 A 24 24 GLY N N 21 108.369 107.086 1.283 1
1 272 . 14 1 1 A 25 25 PHE H H 22 7.340 8.483 -1.143 1
1 273 . 14 1 1 A 25 25 PHE HA H 22 3.784 4.395 -0.611 1
1 280 . 14 1 1 A 25 25 PHE C C 22 172.423 174.071 -1.648 1
1 281 . 14 1 1 A 25 25 PHE CA C 22 56.434 55.994 0.440 1
1 282 . 14 1 1 A 25 25 PHE CB C 22 42.819 42.841 -0.022 1
1 287 . 14 1 1 A 25 25 PHE N N 22 117.754 121.215 -3.461 1
1 288 . 14 1 1 A 26 26 ALA H H 23 5.579 7.635 -2.056 1
1 289 . 14 1 1 A 26 26 ALA HA H 23 4.943 5.232 -0.289 1
1 293 . 14 1 1 A 26 26 ALA C C 23 173.842 175.219 -1.377 1
1 294 . 14 1 1 A 26 26 ALA CA C 23 50.257 51.057 -0.800 1
1 295 . 14 1 1 A 26 26 ALA CB C 23 25.150 23.484 1.666 1
1 296 . 14 1 1 A 26 26 ALA N N 23 126.477 127.542 -1.065 1
1 297 . 14 1 1 A 27 27 ALA H H 24 8.723 8.163 0.560 1
1 298 . 14 1 1 A 27 27 ALA HA H 24 4.330 4.828 -0.498 1
1 302 . 14 1 1 A 27 27 ALA C C 24 175.543 176.139 -0.596 1
1 303 . 14 1 1 A 27 27 ALA CA C 24 51.545 51.830 -0.285 1
1 304 . 14 1 1 A 27 27 ALA CB C 24 22.974 22.966 0.008 1
1 305 . 14 1 1 A 27 27 ALA N N 24 118.178 119.650 -1.472 1
1 306 . 14 1 1 A 28 28 VAL H H 25 8.841 9.015 -0.174 1
1 307 . 14 1 1 A 28 28 VAL HA H 25 3.972 4.133 -0.161 1
1 315 . 14 1 1 A 28 28 VAL C C 25 175.547 175.398 0.149 1
1 316 . 14 1 1 A 28 28 VAL CA C 25 64.153 63.181 0.972 1
1 317 . 14 1 1 A 28 28 VAL CB C 25 31.951 31.154 0.797 1
1 320 . 14 1 1 A 28 28 VAL N N 25 120.857 123.222 -2.365 1
1 321 . 14 1 1 A 29 29 GLU H H 26 8.595 8.994 -0.399 1
1 322 . 14 1 1 A 29 29 GLU HA H 26 4.275 4.363 -0.088 1
1 327 . 14 1 1 A 29 29 GLU C C 26 176.177 176.125 0.052 1
1 328 . 14 1 1 A 29 29 GLU CA C 26 57.686 58.698 -1.012 1
1 329 . 14 1 1 A 29 29 GLU CB C 26 30.521 30.740 -0.219 1
1 331 . 14 1 1 A 29 29 GLU N N 26 132.091 127.923 4.168 1
1 332 . 14 1 1 A 30 30 LYS H H 27 8.163 7.803 0.360 1
1 333 . 14 1 1 A 30 30 LYS HA H 27 4.352 4.893 -0.541 1
1 342 . 14 1 1 A 30 30 LYS C C 27 174.232 173.942 0.290 1
1 343 . 14 1 1 A 30 30 LYS CA C 27 55.370 54.688 0.682 1
1 344 . 14 1 1 A 30 30 LYS CB C 27 36.138 35.854 0.284 1
1 348 . 14 1 1 A 30 30 LYS N N 27 119.899 119.168 0.731 1
1 349 . 14 1 1 A 31 31 LYS H H 28 8.603 8.643 -0.040 1
1 350 . 14 1 1 A 31 31 LYS HA H 28 3.268 4.191 -0.923 1
1 359 . 14 1 1 A 31 31 LYS C C 28 175.170 174.815 0.355 1
1 360 . 14 1 1 A 31 31 LYS CA C 28 56.089 53.660 2.429 1
1 361 . 14 1 1 A 31 31 LYS CB C 28 32.386 35.412 -3.026 1
1 365 . 14 1 1 A 31 31 LYS N N 28 129.067 126.569 2.498 1
1 366 . 14 1 1 A 32 32 GLY H H 29 3.335 6.764 -3.429 1
1 367 . 14 1 1 A 32 32 GLY HA2 H 29 3.652 4.065 -0.413 1
1 368 . 14 1 1 A 32 32 GLY HA3 H 29 2.313 4.147 -1.834 1
1 369 . 14 1 1 A 32 32 GLY C C 29 172.863 173.162 -0.299 1
1 370 . 14 1 1 A 32 32 GLY CA C 29 43.344 44.879 -1.535 1
1 371 . 14 1 1 A 32 32 GLY N N 29 113.639 111.236 2.403 1
1 372 . 14 1 1 A 33 33 ALA H H 30 8.202 8.113 0.089 1
1 373 . 14 1 1 A 33 33 ALA HA H 30 4.173 4.475 -0.302 1
1 377 . 14 1 1 A 33 33 ALA C C 30 181.026 178.525 2.501 1
1 378 . 14 1 1 A 33 33 ALA CA C 30 52.674 51.863 0.811 1
1 379 . 14 1 1 A 33 33 ALA CB C 30 19.020 19.681 -0.661 1
1 380 . 14 1 1 A 33 33 ALA N N 30 121.182 125.085 -3.903 1
1 381 . 14 1 1 A 34 34 GLU H H 31 9.313 9.254 0.059 1
1 382 . 14 1 1 A 34 34 GLU HA H 31 4.130 4.205 -0.075 1
1 387 . 14 1 1 A 34 34 GLU C C 31 177.137 178.760 -1.623 1
1 388 . 14 1 1 A 34 34 GLU CA C 31 61.214 59.255 1.959 1
1 389 . 14 1 1 A 34 34 GLU CB C 31 29.947 29.902 0.045 1
1 391 . 14 1 1 A 34 34 GLU N N 31 126.206 123.299 2.907 1
1 392 . 14 1 1 A 35 35 ALA H H 32 8.614 8.108 0.506 1
1 393 . 14 1 1 A 35 35 ALA HA H 32 4.377 4.352 0.025 1
1 397 . 14 1 1 A 35 35 ALA C C 32 180.260 178.493 1.767 1
1 398 . 14 1 1 A 35 35 ALA CA C 32 55.118 54.318 0.800 1
1 399 . 14 1 1 A 35 35 ALA CB C 32 18.192 19.279 -1.087 1
1 400 . 14 1 1 A 35 35 ALA N N 32 119.251 121.390 -2.139 1
1 401 . 14 1 1 A 36 36 ALA H H 33 8.467 7.895 0.572 1
1 402 . 14 1 1 A 36 36 ALA HA H 33 4.612 4.360 0.252 1
1 406 . 14 1 1 A 36 36 ALA C C 33 177.468 177.817 -0.349 1
1 407 . 14 1 1 A 36 36 ALA CA C 33 51.190 51.797 -0.607 1
1 408 . 14 1 1 A 36 36 ALA CB C 33 19.451 19.098 0.353 1
1 409 . 14 1 1 A 36 36 ALA N N 33 120.927 117.970 2.957 1
1 410 . 14 1 1 A 37 37 GLY H H 34 7.445 8.039 -0.594 1
1 411 . 14 1 1 A 37 37 GLY HA2 H 34 4.143 4.128 0.015 1
1 412 . 14 1 1 A 37 37 GLY HA3 H 34 4.010 4.216 -0.206 1
1 413 . 14 1 1 A 37 37 GLY C C 34 174.885 173.514 1.371 1
1 414 . 14 1 1 A 37 37 GLY CA C 34 46.790 44.992 1.798 1
1 415 . 14 1 1 A 37 37 GLY N N 34 105.715 107.005 -1.290 1
1 416 . 14 1 1 A 38 38 ALA H H 35 9.722 8.342 1.380 1
1 417 . 14 1 1 A 38 38 ALA HA H 35 4.053 4.466 -0.413 1
1 421 . 14 1 1 A 38 38 ALA CA C 35 52.676 51.741 0.935 1
1 422 . 14 1 1 A 38 38 ALA CB C 35 20.069 20.146 -0.077 1
1 423 . 14 1 1 A 38 38 ALA N N 35 131.782 122.083 9.699 1
1 424 . 14 1 1 A 39 39 ILE H H 36 7.776 8.313 -0.537 1
1 425 . 14 1 1 A 39 39 ILE HA H 36 4.533 4.988 -0.455 1
1 435 . 14 1 1 A 39 39 ILE C C 36 172.754 174.430 -1.676 1
1 436 . 14 1 1 A 39 39 ILE CA C 36 61.429 60.439 0.990 1
1 437 . 14 1 1 A 39 39 ILE CB C 36 40.275 40.770 -0.495 1
1 441 . 14 1 1 A 39 39 ILE N N 36 119.692 120.179 -0.487 1
1 442 . 14 1 1 A 40 40 PHE H H 37 8.513 9.441 -0.928 1
1 443 . 14 1 1 A 40 40 PHE HA H 37 5.242 5.772 -0.530 1
1 448 . 14 1 1 A 40 40 PHE C C 37 175.559 174.441 1.118 1
1 449 . 14 1 1 A 40 40 PHE CA C 37 56.375 56.654 -0.279 1
1 450 . 14 1 1 A 40 40 PHE CB C 37 41.794 40.653 1.141 1
1 453 . 14 1 1 A 40 40 PHE N N 37 123.003 125.701 -2.698 1
1 454 . 14 1 1 A 41 41 VAL H H 38 8.898 9.205 -0.307 1
1 455 . 14 1 1 A 41 41 VAL HA H 38 4.981 4.916 0.065 1
1 463 . 14 1 1 A 41 41 VAL C C 38 174.233 175.329 -1.096 1
1 464 . 14 1 1 A 41 41 VAL CA C 38 60.287 61.387 -1.100 1
1 465 . 14 1 1 A 41 41 VAL CB C 38 35.122 33.523 1.599 1
1 468 . 14 1 1 A 41 41 VAL N N 38 120.239 123.715 -3.476 1
1 469 . 14 1 1 A 42 42 ARG H H 39 9.399 9.161 0.238 1
1 470 . 14 1 1 A 42 42 ARG HA H 39 5.094 5.467 -0.373 1
1 478 . 14 1 1 A 42 42 ARG C C 39 173.198 174.664 -1.466 1
1 479 . 14 1 1 A 42 42 ARG CA C 39 54.067 55.067 -1.000 1
1 480 . 14 1 1 A 42 42 ARG CB C 39 33.430 32.406 1.024 1
1 483 . 14 1 1 A 42 42 ARG N N 39 129.107 125.847 3.260 1
1 485 . 14 1 1 A 43 43 GLN H H 40 9.402 8.704 0.698 1
1 486 . 14 1 1 A 43 43 GLN HA H 40 5.371 5.259 0.112 1
1 493 . 14 1 1 A 43 43 GLN C C 40 174.278 175.279 -1.001 1
1 494 . 14 1 1 A 43 43 GLN CA C 40 52.778 54.553 -1.775 1
1 495 . 14 1 1 A 43 43 GLN CB C 40 31.703 31.447 0.256 1
1 497 . 14 1 1 A 43 43 GLN N N 40 127.936 124.182 3.754 1
1 499 . 14 1 1 A 44 44 ARG H H 41 8.875 8.898 -0.023 1
1 500 . 14 1 1 A 44 44 ARG HA H 41 4.488 4.734 -0.246 1
1 507 . 14 1 1 A 44 44 ARG C C 41 175.417 176.157 -0.740 1
1 508 . 14 1 1 A 44 44 ARG CA C 41 56.319 56.472 -0.153 1
1 509 . 14 1 1 A 44 44 ARG CB C 41 31.231 30.966 0.265 1
1 512 . 14 1 1 A 44 44 ARG N N 41 127.617 128.790 -1.173 1
1 513 . 14 1 1 A 45 45 LEU H H 42 8.494 8.742 -0.248 1
1 514 . 14 1 1 A 45 45 LEU HA H 42 4.480 4.554 -0.074 1
1 524 . 14 1 1 A 45 45 LEU C C 42 179.893 178.167 1.726 1
1 525 . 14 1 1 A 45 45 LEU CA C 42 53.972 54.482 -0.510 1
1 526 . 14 1 1 A 45 45 LEU CB C 42 42.206 42.519 -0.313 1
1 530 . 14 1 1 A 45 45 LEU N N 42 125.380 128.249 -2.869 1
1 531 . 14 1 1 A 46 46 ARG H H 43 9.223 8.916 0.307 1
1 532 . 14 1 1 A 46 46 ARG HA H 43 3.929 4.105 -0.176 1
1 539 . 14 1 1 A 46 46 ARG C C 43 177.114 177.093 0.021 1
1 540 . 14 1 1 A 46 46 ARG CA C 43 58.773 58.801 -0.028 1
1 541 . 14 1 1 A 46 46 ARG CB C 43 29.688 29.813 -0.125 1
1 544 . 14 1 1 A 46 46 ARG N N 43 121.380 121.613 -0.233 1
1 545 . 14 1 1 A 47 47 ASP H H 44 7.727 8.027 -0.300 1
1 546 . 14 1 1 A 47 47 ASP HA H 44 4.373 4.621 -0.248 1
1 549 . 14 1 1 A 47 47 ASP C C 44 177.125 176.483 0.642 1
1 550 . 14 1 1 A 47 47 ASP CA C 44 53.256 54.124 -0.868 1
1 551 . 14 1 1 A 47 47 ASP CB C 44 39.993 41.783 -1.790 1
1 552 . 14 1 1 A 47 47 ASP N N 44 115.801 116.272 -0.471 1
1 553 . 14 1 1 A 48 48 GLY H H 45 7.878 7.760 0.118 1
1 554 . 14 1 1 A 48 48 GLY HA2 H 45 4.237 4.032 0.205 1
1 555 . 14 1 1 A 48 48 GLY HA3 H 45 3.531 4.033 -0.502 1
1 556 . 14 1 1 A 48 48 GLY C C 45 175.041 174.871 0.170 1
1 557 . 14 1 1 A 48 48 GLY CA C 45 45.289 45.414 -0.125 1
1 558 . 14 1 1 A 48 48 GLY N N 45 108.005 107.783 0.222 1
1 559 . 14 1 1 A 49 49 ARG H H 46 7.696 7.582 0.114 1
1 560 . 14 1 1 A 49 49 ARG HA H 46 4.309 4.335 -0.026 1
1 567 . 14 1 1 A 49 49 ARG C C 46 174.199 174.964 -0.765 1
1 568 . 14 1 1 A 49 49 ARG CA C 46 55.909 56.295 -0.386 1
1 569 . 14 1 1 A 49 49 ARG CB C 46 31.226 31.924 -0.698 1
1 572 . 14 1 1 A 49 49 ARG N N 46 120.601 120.730 -0.129 1
1 573 . 14 1 1 A 50 50 GLU H H 47 8.885 8.682 0.203 1
1 574 . 14 1 1 A 50 50 GLU HA H 47 5.381 5.690 -0.309 1
1 579 . 14 1 1 A 50 50 GLU C C 47 175.590 174.906 0.684 1
1 580 . 14 1 1 A 50 50 GLU CA C 47 55.057 54.788 0.269 1
1 581 . 14 1 1 A 50 50 GLU CB C 47 35.650 34.101 1.549 1
1 583 . 14 1 1 A 50 50 GLU N N 47 116.439 118.973 -2.534 1
1 584 . 14 1 1 A 51 51 ASN H H 48 8.683 8.827 -0.144 1
1 585 . 14 1 1 A 51 51 ASN HA H 48 5.153 5.450 -0.297 1
1 590 . 14 1 1 A 51 51 ASN C C 48 173.562 174.144 -0.582 1
1 591 . 14 1 1 A 51 51 ASN CA C 48 50.361 51.734 -1.373 1
1 592 . 14 1 1 A 51 51 ASN CB C 48 41.823 41.091 0.732 1
1 593 . 14 1 1 A 51 51 ASN N N 48 114.752 119.406 -4.654 1
1 595 . 14 1 1 A 52 52 LEU H H 49 8.847 8.511 0.336 1
1 596 . 14 1 1 A 52 52 LEU HA H 49 5.274 5.054 0.220 1
1 606 . 14 1 1 A 52 52 LEU C C 49 174.213 173.634 0.579 1
1 607 . 14 1 1 A 52 52 LEU CA C 49 52.889 53.367 -0.478 1
1 608 . 14 1 1 A 52 52 LEU CB C 49 46.300 46.333 -0.033 1
1 612 . 14 1 1 A 52 52 LEU N N 49 120.365 121.972 -1.607 1
1 613 . 14 1 1 A 53 53 TYR H H 50 9.641 8.966 0.675 1
1 614 . 14 1 1 A 53 53 TYR HA H 50 5.519 5.788 -0.269 1
1 621 . 14 1 1 A 53 53 TYR C C 50 175.473 175.606 -0.133 1
1 622 . 14 1 1 A 53 53 TYR CA C 50 55.928 55.667 0.261 1
1 623 . 14 1 1 A 53 53 TYR CB C 50 40.076 42.861 -2.785 1
1 628 . 14 1 1 A 53 53 TYR N N 50 127.507 124.514 2.993 1
1 629 . 14 1 1 A 54 54 GLY H H 51 8.893 8.734 0.159 1
1 630 . 14 1 1 A 54 54 GLY HA2 H 51 4.687 3.510 1.177 1
1 631 . 14 1 1 A 54 54 GLY HA3 H 51 3.127 3.803 -0.676 1
1 632 . 14 1 1 A 54 54 GLY CA C 51 44.040 44.289 -0.249 1
1 633 . 14 1 1 A 54 54 GLY N N 51 108.518 109.957 -1.439 1
1 634 . 14 1 1 A 55 55 PRO HA H 52 3.849 3.900 -0.051 1
1 641 . 14 1 1 A 55 55 PRO C C 52 176.695 176.768 -0.073 1
1 642 . 14 1 1 A 55 55 PRO CA C 52 63.187 62.305 0.882 1
1 643 . 14 1 1 A 55 55 PRO CB C 52 32.096 31.559 0.537 1
1 646 . 14 1 1 A 56 56 ALA H H 53 7.675 7.952 -0.277 1
1 647 . 14 1 1 A 56 56 ALA HA H 53 4.242 4.746 -0.504 1
1 651 . 14 1 1 A 56 56 ALA CA C 53 49.506 50.315 -0.809 1
1 652 . 14 1 1 A 56 56 ALA CB C 53 18.096 18.462 -0.366 1
1 653 . 14 1 1 A 56 56 ALA N N 53 126.695 124.386 2.309 1
1 654 . 14 1 1 A 57 57 PRO HA H 54 4.186 4.702 -0.516 1
1 661 . 14 1 1 A 57 57 PRO C C 54 179.368 176.307 3.061 1
1 662 . 14 1 1 A 57 57 PRO CA C 54 63.116 62.441 0.675 1
1 663 . 14 1 1 A 57 57 PRO CB C 54 31.747 30.803 0.944 1
1 666 . 14 1 1 A 58 58 GLN H H 55 8.278 8.154 0.124 1
1 667 . 14 1 1 A 58 58 GLN HA H 55 4.083 4.374 -0.291 1
1 674 . 14 1 1 A 58 58 GLN C C 55 175.368 175.437 -0.069 1
1 675 . 14 1 1 A 58 58 GLN CA C 55 55.635 55.951 -0.316 1
1 676 . 14 1 1 A 58 58 GLN CB C 55 29.927 29.471 0.456 1
1 678 . 14 1 1 A 58 58 GLN N N 55 121.313 122.809 -1.496 1
1 680 . 14 1 1 A 59 59 SER H H 56 8.182 8.583 -0.401 1
1 681 . 14 1 1 A 59 59 SER HA H 56 4.246 4.319 -0.073 1
1 684 . 14 1 1 A 59 59 SER C C 56 174.075 173.346 0.729 1
1 685 . 14 1 1 A 59 59 SER CA C 56 57.667 57.986 -0.319 1
1 686 . 14 1 1 A 59 59 SER CB C 56 63.751 63.005 0.746 1
1 687 . 14 1 1 A 59 59 SER N N 56 117.615 122.788 -5.173 1
1 688 . 14 1 1 A 60 60 PHE H H 57 8.100 7.660 0.440 1
1 689 . 14 1 1 A 60 60 PHE HA H 57 4.493 4.895 -0.402 1
1 696 . 14 1 1 A 60 60 PHE C C 57 175.439 175.048 0.391 1
1 697 . 14 1 1 A 60 60 PHE CA C 57 57.622 56.099 1.523 1
1 698 . 14 1 1 A 60 60 PHE CB C 57 39.519 40.151 -0.632 1
1 703 . 14 1 1 A 60 60 PHE N N 57 121.890 124.780 -2.890 1
1 704 . 14 1 1 A 61 61 ALA H H 58 8.234 8.658 -0.424 1
1 705 . 14 1 1 A 61 61 ALA HA H 58 4.165 4.656 -0.491 1
1 709 . 14 1 1 A 61 61 ALA C C 58 179.286 177.183 2.103 1
1 710 . 14 1 1 A 61 61 ALA CA C 58 52.471 51.170 1.301 1
1 711 . 14 1 1 A 61 61 ALA CB C 58 19.444 20.049 -0.605 1
1 712 . 14 1 1 A 61 61 ALA N N 58 124.383 124.891 -0.508 1
1 713 . 14 1 1 A 62 62 ASP H H 59 8.017 9.373 -1.356 1
1 714 . 14 1 1 A 62 62 ASP HA H 59 4.412 4.384 0.028 1
1 717 . 14 1 1 A 62 62 ASP C C 59 176.073 174.742 1.331 1
1 718 . 14 1 1 A 62 62 ASP CA C 59 54.360 55.197 -0.837 1
1 719 . 14 1 1 A 62 62 ASP CB C 59 41.213 39.696 1.517 1
1 720 . 14 1 1 A 62 62 ASP N N 59 118.579 124.858 -6.279 1
1 721 . 14 1 1 A 63 63 ASP H H 60 8.096 8.653 -0.557 1
1 722 . 14 1 1 A 63 63 ASP HA H 60 4.346 4.111 0.235 1
1 725 . 14 1 1 A 63 63 ASP C C 60 176.619 175.690 0.929 1
1 726 . 14 1 1 A 63 63 ASP CA C 60 54.714 55.712 -0.998 1
1 727 . 14 1 1 A 63 63 ASP CB C 60 40.801 39.247 1.554 1
1 728 . 14 1 1 A 63 63 ASP N N 60 119.530 110.779 8.751 1
1 729 . 14 1 1 A 64 64 GLU H H 61 8.109 7.747 0.362 1
1 730 . 14 1 1 A 64 64 GLU HA H 61 4.012 4.151 -0.139 1
1 735 . 14 1 1 A 64 64 GLU C C 61 176.652 178.806 -2.154 1
1 736 . 14 1 1 A 64 64 GLU CA C 61 57.301 59.136 -1.835 1
1 737 . 14 1 1 A 64 64 GLU CB C 61 30.107 30.038 0.069 1
1 739 . 14 1 1 A 64 64 GLU N N 61 120.050 118.802 1.248 1
1 740 . 14 1 1 A 65 65 ASP H H 62 8.062 8.329 -0.267 1
1 741 . 14 1 1 A 65 65 ASP HA H 62 4.369 4.414 -0.045 1
1 744 . 14 1 1 A 65 65 ASP C C 62 177.458 178.705 -1.247 1
1 745 . 14 1 1 A 65 65 ASP CA C 62 54.645 56.389 -1.744 1
1 746 . 14 1 1 A 65 65 ASP CB C 62 40.896 40.521 0.375 1
1 747 . 14 1 1 A 65 65 ASP N N 62 120.211 119.537 0.674 1
1 748 . 14 1 1 A 66 66 ILE H H 63 7.805 7.613 0.192 1
1 749 . 14 1 1 A 66 66 ILE HA H 63 3.708 3.655 0.053 1
1 759 . 14 1 1 A 66 66 ILE C C 63 176.802 177.362 -0.560 1
1 760 . 14 1 1 A 66 66 ILE CA C 63 62.754 64.659 -1.905 1
1 761 . 14 1 1 A 66 66 ILE CB C 63 38.230 37.914 0.316 1
1 765 . 14 1 1 A 66 66 ILE N N 63 121.259 120.357 0.902 1
1 766 . 14 1 1 A 67 67 MET H H 64 7.950 7.882 0.068 1
1 767 . 14 1 1 A 67 67 MET HA H 64 4.229 4.601 -0.372 1
1 775 . 14 1 1 A 67 67 MET C C 64 176.724 177.124 -0.400 1
1 776 . 14 1 1 A 67 67 MET CA C 64 55.944 54.852 1.092 1
1 777 . 14 1 1 A 67 67 MET CB C 64 31.826 33.950 -2.124 1
1 780 . 14 1 1 A 67 67 MET N N 64 118.533 117.361 1.172 1
1 781 . 14 1 1 A 68 68 ARG H H 65 7.604 7.837 -0.233 1
1 782 . 14 1 1 A 68 68 ARG HA H 65 4.197 4.522 -0.325 1
1 789 . 14 1 1 A 68 68 ARG C C 65 175.530 175.153 0.377 1
1 790 . 14 1 1 A 68 68 ARG CA C 65 56.028 55.407 0.621 1
1 791 . 14 1 1 A 68 68 ARG CB C 65 30.760 31.216 -0.456 1
1 794 . 14 1 1 A 68 68 ARG N N 65 118.706 117.847 0.859 1
1 795 . 14 1 1 A 69 69 ALA H H 66 7.634 7.637 -0.003 1
1 796 . 14 1 1 A 69 69 ALA HA H 66 4.254 4.789 -0.535 1
1 800 . 14 1 1 A 69 69 ALA C C 66 176.846 176.329 0.517 1
1 801 . 14 1 1 A 69 69 ALA CA C 66 51.905 51.136 0.769 1
1 802 . 14 1 1 A 69 69 ALA CB C 66 20.023 23.174 -3.151 1
1 803 . 14 1 1 A 69 69 ALA N N 66 123.528 120.110 3.418 1
1 804 . 14 1 1 A 70 70 GLU H H 67 8.192 8.493 -0.301 1
1 805 . 14 1 1 A 70 70 GLU HA H 67 4.228 4.420 -0.192 1
1 810 . 14 1 1 A 70 70 GLU C C 67 176.333 176.178 0.155 1
1 811 . 14 1 1 A 70 70 GLU CA C 67 55.928 55.105 0.823 1
1 812 . 14 1 1 A 70 70 GLU CB C 67 30.769 30.362 0.407 1
1 814 . 14 1 1 A 70 70 GLU N N 67 120.599 119.433 1.166 1
1 815 . 14 1 1 A 71 71 ARG H H 68 8.674 8.307 0.367 1
1 816 . 14 1 1 A 71 71 ARG HA H 68 3.696 4.298 -0.602 1
1 823 . 14 1 1 A 71 71 ARG C C 68 175.422 175.010 0.412 1
1 824 . 14 1 1 A 71 71 ARG CA C 68 56.964 55.770 1.194 1
1 825 . 14 1 1 A 71 71 ARG CB C 68 30.886 30.038 0.848 1
1 828 . 14 1 1 A 71 71 ARG N N 68 123.533 119.413 4.120 1
1 829 . 14 1 1 A 72 72 ARG H H 69 7.660 8.806 -1.146 1
1 830 . 14 1 1 A 72 72 ARG HA H 69 4.642 4.816 -0.174 1
1 837 . 14 1 1 A 72 72 ARG C C 69 175.051 175.698 -0.647 1
1 838 . 14 1 1 A 72 72 ARG CA C 69 54.297 55.557 -1.260 1
1 839 . 14 1 1 A 72 72 ARG CB C 69 33.555 31.692 1.863 1
1 842 . 14 1 1 A 72 72 ARG N N 69 120.057 126.539 -6.482 1
1 843 . 14 1 1 A 73 73 PHE H H 70 8.714 8.710 0.004 1
1 844 . 14 1 1 A 73 73 PHE HA H 70 5.020 5.018 0.002 1
1 852 . 14 1 1 A 73 73 PHE C C 70 173.159 174.848 -1.689 1
1 853 . 14 1 1 A 73 73 PHE CA C 70 57.359 57.301 0.058 1
1 854 . 14 1 1 A 73 73 PHE CB C 70 43.426 42.349 1.077 1
1 860 . 14 1 1 A 73 73 PHE N N 70 119.519 124.312 -4.793 1
1 861 . 14 1 1 A 74 74 GLU H H 71 9.404 9.259 0.145 1
1 862 . 14 1 1 A 74 74 GLU HA H 71 4.996 5.050 -0.054 1
1 867 . 14 1 1 A 74 74 GLU C C 71 175.559 174.893 0.666 1
1 868 . 14 1 1 A 74 74 GLU CA C 71 52.975 54.619 -1.644 1
1 869 . 14 1 1 A 74 74 GLU CB C 71 33.399 33.604 -0.205 1
1 871 . 14 1 1 A 74 74 GLU N N 71 117.679 118.137 -0.458 1
1 872 . 14 1 1 A 75 75 THR H H 72 9.801 9.016 0.785 1
1 873 . 14 1 1 A 75 75 THR HA H 72 4.108 4.783 -0.675 1
1 878 . 14 1 1 A 75 75 THR C C 72 175.065 173.940 1.125 1
1 879 . 14 1 1 A 75 75 THR CA C 72 64.296 62.528 1.768 1
1 880 . 14 1 1 A 75 75 THR CB C 72 67.635 68.830 -1.195 1
1 882 . 14 1 1 A 75 75 THR N N 72 122.320 117.853 4.467 1
1 883 . 14 1 1 A 76 76 ARG H H 73 9.150 8.954 0.196 1
1 884 . 14 1 1 A 76 76 ARG HA H 73 4.283 4.333 -0.050 1
1 892 . 14 1 1 A 76 76 ARG C C 73 176.574 176.765 -0.191 1
1 893 . 14 1 1 A 76 76 ARG CA C 73 55.858 58.330 -2.472 1
1 894 . 14 1 1 A 76 76 ARG CB C 73 30.930 31.038 -0.108 1
1 897 . 14 1 1 A 76 76 ARG N N 73 127.709 128.226 -0.517 1
1 899 . 14 1 1 A 77 77 LEU H H 74 7.520 7.443 0.077 1
1 900 . 14 1 1 A 77 77 LEU HA H 74 4.480 4.943 -0.463 1
1 910 . 14 1 1 A 77 77 LEU C C 74 174.509 175.372 -0.863 1
1 911 . 14 1 1 A 77 77 LEU CA C 74 54.222 53.211 1.011 1
1 912 . 14 1 1 A 77 77 LEU CB C 74 47.315 46.090 1.225 1
1 916 . 14 1 1 A 77 77 LEU N N 74 117.021 118.187 -1.166 1
1 917 . 14 1 1 A 78 78 ALA H H 75 8.600 8.390 0.210 1
1 918 . 14 1 1 A 78 78 ALA HA H 75 4.999 4.614 0.385 1
1 922 . 14 1 1 A 78 78 ALA C C 75 176.343 177.275 -0.932 1
1 923 . 14 1 1 A 78 78 ALA CA C 75 50.324 51.544 -1.220 1
1 924 . 14 1 1 A 78 78 ALA CB C 75 21.074 21.721 -0.647 1
1 925 . 14 1 1 A 78 78 ALA N N 75 124.663 122.222 2.441 1
1 926 . 14 1 1 A 79 79 GLY H H 76 8.730 8.664 0.066 1
1 927 . 14 1 1 A 79 79 GLY HA2 H 76 3.706 3.869 -0.163 1
1 928 . 14 1 1 A 79 79 GLY HA3 H 76 3.306 3.870 -0.564 1
1 929 . 14 1 1 A 79 79 GLY C C 76 175.173 173.722 1.451 1
1 930 . 14 1 1 A 79 79 GLY CA C 76 47.520 46.507 1.013 1
1 931 . 14 1 1 A 79 79 GLY N N 76 114.411 111.452 2.959 1
1 932 . 14 1 1 A 80 80 VAL H H 77 8.380 7.954 0.426 1
1 933 . 14 1 1 A 80 80 VAL HA H 77 4.643 4.744 -0.101 1
1 941 . 14 1 1 A 80 80 VAL C C 77 175.208 175.419 -0.211 1
1 942 . 14 1 1 A 80 80 VAL CA C 77 59.289 59.198 0.091 1
1 943 . 14 1 1 A 80 80 VAL CB C 77 34.226 34.822 -0.596 1
1 946 . 14 1 1 A 80 80 VAL N N 77 112.611 116.225 -3.614 1
1 947 . 14 1 1 A 81 81 GLU H H 78 8.415 8.561 -0.146 1
1 948 . 14 1 1 A 81 81 GLU HA H 78 4.451 4.533 -0.082 1
1 953 . 14 1 1 A 81 81 GLU C C 78 178.955 178.074 0.881 1
1 954 . 14 1 1 A 81 81 GLU CA C 78 55.631 55.149 0.482 1
1 955 . 14 1 1 A 81 81 GLU CB C 78 30.535 30.166 0.369 1
1 957 . 14 1 1 A 81 81 GLU N N 78 117.186 121.881 -4.695 1
1 958 . 14 1 1 A 82 82 GLY H H 79 8.834 8.700 0.134 1
1 959 . 14 1 1 A 82 82 GLY HA2 H 79 3.810 3.862 -0.052 1
1 960 . 14 1 1 A 82 82 GLY HA3 H 79 3.518 3.863 -0.345 1
1 961 . 14 1 1 A 82 82 GLY C C 79 176.446 175.823 0.623 1
1 962 . 14 1 1 A 82 82 GLY CA C 79 47.629 46.960 0.669 1
1 963 . 14 1 1 A 82 82 GLY N N 79 109.312 108.213 1.099 1
1 964 . 14 1 1 A 83 83 GLU H H 80 8.747 8.183 0.564 1
1 965 . 14 1 1 A 83 83 GLU HA H 80 3.972 4.057 -0.085 1
1 970 . 14 1 1 A 83 83 GLU C C 80 179.046 179.409 -0.363 1
1 971 . 14 1 1 A 83 83 GLU CA C 80 59.403 59.327 0.076 1
1 972 . 14 1 1 A 83 83 GLU CB C 80 29.005 28.997 0.008 1
1 974 . 14 1 1 A 83 83 GLU N N 80 119.416 121.269 -1.853 1
1 975 . 14 1 1 A 84 84 GLU H H 81 7.588 7.906 -0.318 1
1 976 . 14 1 1 A 84 84 GLU HA H 81 4.003 4.041 -0.038 1
1 981 . 14 1 1 A 84 84 GLU C C 81 179.682 179.421 0.261 1
1 982 . 14 1 1 A 84 84 GLU CA C 81 59.213 59.228 -0.015 1
1 983 . 14 1 1 A 84 84 GLU CB C 81 29.473 29.399 0.074 1
1 985 . 14 1 1 A 84 84 GLU N N 81 120.110 118.601 1.509 1
1 986 . 14 1 1 A 85 85 ILE H H 82 6.936 7.908 -0.972 1
1 987 . 14 1 1 A 85 85 ILE HA H 82 3.356 3.556 -0.200 1
1 997 . 14 1 1 A 85 85 ILE C C 82 177.308 177.916 -0.608 1
1 998 . 14 1 1 A 85 85 ILE CA C 82 64.055 65.891 -1.836 1
1 999 . 14 1 1 A 85 85 ILE CB C 82 36.836 38.061 -1.225 1
1 1003 . 14 1 1 A 85 85 ILE N N 82 120.268 121.540 -1.272 1
1 1004 . 14 1 1 A 86 86 ALA H H 83 8.292 8.339 -0.047 1
1 1005 . 14 1 1 A 86 86 ALA HA H 83 3.787 4.001 -0.214 1
1 1009 . 14 1 1 A 86 86 ALA C C 83 180.345 179.927 0.418 1
1 1010 . 14 1 1 A 86 86 ALA CA C 83 55.103 55.144 -0.041 1
1 1011 . 14 1 1 A 86 86 ALA CB C 83 17.928 18.081 -0.153 1
1 1012 . 14 1 1 A 86 86 ALA N N 83 121.052 121.310 -0.258 1
1 1013 . 14 1 1 A 87 87 ALA H H 84 7.516 7.805 -0.289 1
1 1014 . 14 1 1 A 87 87 ALA HA H 84 4.006 4.075 -0.069 1
1 1018 . 14 1 1 A 87 87 ALA C C 84 180.272 179.372 0.900 1
1 1019 . 14 1 1 A 87 87 ALA CA C 84 54.765 55.009 -0.244 1
1 1020 . 14 1 1 A 87 87 ALA CB C 84 17.949 18.512 -0.563 1
1 1021 . 14 1 1 A 87 87 ALA N N 84 119.052 120.253 -1.201 1
1 1022 . 14 1 1 A 88 88 LEU H H 85 7.285 7.602 -0.317 1
1 1023 . 14 1 1 A 88 88 LEU HA H 85 4.042 4.156 -0.114 1
1 1033 . 14 1 1 A 88 88 LEU C C 85 174.921 178.597 -3.676 1
1 1034 . 14 1 1 A 88 88 LEU CA C 85 58.290 57.196 1.094 1
1 1035 . 14 1 1 A 88 88 LEU CB C 85 41.610 42.361 -0.751 1
1 1039 . 14 1 1 A 88 88 LEU N N 85 121.211 119.750 1.461 1
1 1040 . 14 1 1 A 89 89 LEU H H 86 8.472 8.238 0.234 1
1 1041 . 14 1 1 A 89 89 LEU HA H 86 3.486 3.803 -0.317 1
1 1051 . 14 1 1 A 89 89 LEU C C 86 178.855 179.701 -0.846 1
1 1052 . 14 1 1 A 89 89 LEU CA C 86 57.476 57.446 0.030 1
1 1053 . 14 1 1 A 89 89 LEU CB C 86 41.478 41.377 0.101 1
1 1057 . 14 1 1 A 89 89 LEU N N 86 118.740 118.359 0.381 1
1 1058 . 14 1 1 A 90 90 GLU H H 87 7.926 8.678 -0.752 1
1 1059 . 14 1 1 A 90 90 GLU HA H 87 3.726 3.954 -0.228 1
1 1064 . 14 1 1 A 90 90 GLU C C 87 178.738 178.638 0.100 1
1 1065 . 14 1 1 A 90 90 GLU CA C 87 59.511 59.011 0.500 1
1 1066 . 14 1 1 A 90 90 GLU CB C 87 28.855 29.014 -0.159 1
1 1068 . 14 1 1 A 90 90 GLU N N 87 119.669 117.916 1.753 1
1 1069 . 14 1 1 A 91 91 ARG H H 88 7.069 7.728 -0.659 1
1 1070 . 14 1 1 A 91 91 ARG HA H 88 3.762 4.131 -0.369 1
1 1077 . 14 1 1 A 91 91 ARG C C 88 178.920 179.047 -0.127 1
1 1078 . 14 1 1 A 91 91 ARG CA C 88 59.544 59.459 0.085 1
1 1079 . 14 1 1 A 91 91 ARG CB C 88 29.723 30.414 -0.691 1
1 1082 . 14 1 1 A 91 91 ARG N N 88 119.088 119.387 -0.299 1
1 1083 . 14 1 1 A 92 92 GLU H H 89 8.170 8.094 0.076 1
1 1084 . 14 1 1 A 92 92 GLU HA H 89 4.021 4.228 -0.207 1
1 1089 . 14 1 1 A 92 92 GLU C C 89 180.250 179.365 0.885 1
1 1090 . 14 1 1 A 92 92 GLU CA C 89 58.661 58.686 -0.025 1
1 1091 . 14 1 1 A 92 92 GLU CB C 89 28.073 28.730 -0.657 1
1 1093 . 14 1 1 A 92 92 GLU N N 89 117.768 119.328 -1.560 1
1 1094 . 14 1 1 A 93 93 ARG H H 90 8.355 7.850 0.505 1
1 1095 . 14 1 1 A 93 93 ARG HA H 90 4.003 4.179 -0.176 1
1 1102 . 14 1 1 A 93 93 ARG C C 90 177.592 178.496 -0.904 1
1 1103 . 14 1 1 A 93 93 ARG CA C 90 57.744 59.009 -1.265 1
1 1104 . 14 1 1 A 93 93 ARG CB C 90 30.325 29.665 0.660 1
1 1107 . 14 1 1 A 93 93 ARG N N 90 119.179 118.899 0.280 1
1 1108 . 14 1 1 A 94 94 ARG H H 91 7.232 7.378 -0.146 1
1 1109 . 14 1 1 A 94 94 ARG HA H 91 3.788 3.872 -0.084 1
1 1116 . 14 1 1 A 94 94 ARG C C 91 177.986 178.915 -0.929 1
1 1117 . 14 1 1 A 94 94 ARG CA C 91 58.462 58.935 -0.473 1
1 1118 . 14 1 1 A 94 94 ARG CB C 91 29.565 29.842 -0.277 1
1 1121 . 14 1 1 A 94 94 ARG N N 91 118.441 119.941 -1.500 1
1 1122 . 14 1 1 A 95 95 PHE H H 92 7.048 7.590 -0.542 1
1 1123 . 14 1 1 A 95 95 PHE HA H 92 4.474 4.299 0.175 1
1 1128 . 14 1 1 A 95 95 PHE C C 92 175.728 175.610 0.118 1
1 1129 . 14 1 1 A 95 95 PHE CA C 92 58.210 59.844 -1.634 1
1 1130 . 14 1 1 A 95 95 PHE CB C 92 39.724 39.202 0.522 1
1 1133 . 14 1 1 A 95 95 PHE N N 92 115.951 117.445 -1.494 1
1 1134 . 14 1 1 A 96 96 ASP H H 93 7.793 8.130 -0.337 1
1 1135 . 14 1 1 A 96 96 ASP HA H 93 4.703 4.978 -0.275 1
1 1138 . 14 1 1 A 96 96 ASP C C 93 179.474 176.039 3.435 1
1 1139 . 14 1 1 A 96 96 ASP CA C 93 53.103 53.081 0.022 1
1 1140 . 14 1 1 A 96 96 ASP CB C 93 41.634 42.262 -0.628 1
1 1141 . 14 1 1 A 96 96 ASP N N 93 119.328 119.049 0.279 1
1 1142 . 14 1 1 A 97 97 SER H H 94 8.490 8.981 -0.491 1
1 1143 . 14 1 1 A 97 97 SER HA H 94 4.204 4.404 -0.200 1
1 1146 . 14 1 1 A 97 97 SER C C 94 175.549 174.794 0.755 1
1 1147 . 14 1 1 A 97 97 SER CA C 94 60.047 59.726 0.321 1
1 1148 . 14 1 1 A 97 97 SER CB C 94 63.408 62.948 0.460 1
1 1149 . 14 1 1 A 97 97 SER N N 94 118.740 120.759 -2.019 1
1 1150 . 14 1 1 A 98 98 ASP H H 95 8.229 8.074 0.155 1
1 1151 . 14 1 1 A 98 98 ASP HA H 95 4.684 4.715 -0.031 1
1 1154 . 14 1 1 A 98 98 ASP C C 95 175.547 176.172 -0.625 1
1 1155 . 14 1 1 A 98 98 ASP CA C 95 54.380 55.565 -1.185 1
1 1156 . 14 1 1 A 98 98 ASP CB C 95 42.267 40.758 1.509 1
1 1157 . 14 1 1 A 98 98 ASP N N 95 121.306 120.208 1.098 1
1 1158 . 14 1 1 A 99 99 LEU H H 96 6.613 7.082 -0.469 1
1 1159 . 14 1 1 A 99 99 LEU HA H 96 4.801 5.270 -0.469 1
1 1169 . 14 1 1 A 99 99 LEU C C 96 176.224 176.364 -0.140 1
1 1170 . 14 1 1 A 99 99 LEU CA C 96 55.691 54.004 1.687 1
1 1171 . 14 1 1 A 99 99 LEU CB C 96 42.272 43.325 -1.053 1
1 1175 . 14 1 1 A 99 99 LEU N N 96 117.774 117.345 0.429 1
1 1176 . 14 1 1 A 100 100 TRP H H 97 9.750 9.207 0.543 1
1 1177 . 14 1 1 A 100 100 TRP HA H 97 4.757 5.507 -0.750 1
1 1186 . 14 1 1 A 100 100 TRP C C 97 176.737 175.381 1.356 1
1 1187 . 14 1 1 A 100 100 TRP CA C 97 55.634 55.472 0.162 1
1 1188 . 14 1 1 A 100 100 TRP CB C 97 31.794 31.359 0.435 1
1 1194 . 14 1 1 A 100 100 TRP N N 97 120.649 121.333 -0.684 1
1 1196 . 14 1 1 A 101 101 VAL H H 98 9.096 8.923 0.173 1
1 1197 . 14 1 1 A 101 101 VAL HA H 98 5.018 5.218 -0.200 1
1 1205 . 14 1 1 A 101 101 VAL C C 98 175.816 175.249 0.567 1
1 1206 . 14 1 1 A 101 101 VAL CA C 98 61.998 62.331 -0.333 1
1 1207 . 14 1 1 A 101 101 VAL CB C 98 34.180 32.684 1.496 1
1 1210 . 14 1 1 A 101 101 VAL N N 98 117.960 123.899 -5.939 1
1 1211 . 14 1 1 A 102 102 VAL H H 99 9.113 9.037 0.076 1
1 1212 . 14 1 1 A 102 102 VAL HA H 99 4.546 4.797 -0.251 1
1 1220 . 14 1 1 A 102 102 VAL C C 99 173.388 174.971 -1.583 1
1 1221 . 14 1 1 A 102 102 VAL CA C 99 60.987 61.394 -0.407 1
1 1222 . 14 1 1 A 102 102 VAL CB C 99 34.654 33.855 0.799 1
1 1225 . 14 1 1 A 102 102 VAL N N 99 129.775 128.510 1.265 1
1 1226 . 14 1 1 A 103 103 GLU H H 100 9.226 8.677 0.549 1
1 1227 . 14 1 1 A 103 103 GLU HA H 100 5.376 4.720 0.656 1
1 1232 . 14 1 1 A 103 103 GLU C C 100 175.058 176.446 -1.388 1
1 1233 . 14 1 1 A 103 103 GLU CA C 100 54.158 55.955 -1.797 1
1 1234 . 14 1 1 A 103 103 GLU CB C 100 31.835 30.060 1.775 1
1 1236 . 14 1 1 A 103 103 GLU N N 100 128.249 127.594 0.655 1
1 1237 . 14 1 1 A 104 104 ILE H H 101 9.141 8.924 0.217 1
1 1238 . 14 1 1 A 104 104 ILE HA H 101 5.021 5.238 -0.217 1
1 1248 . 14 1 1 A 104 104 ILE C C 101 173.727 174.620 -0.893 1
1 1249 . 14 1 1 A 104 104 ILE CA C 101 59.226 59.163 0.063 1
1 1250 . 14 1 1 A 104 104 ILE CB C 101 42.192 40.146 2.046 1
1 1254 . 14 1 1 A 104 104 ILE N N 101 118.638 121.207 -2.569 1
1 1255 . 14 1 1 A 105 105 GLU H H 102 9.018 8.728 0.290 1
1 1256 . 14 1 1 A 105 105 GLU HA H 102 4.800 5.075 -0.275 1
1 1261 . 14 1 1 A 105 105 GLU C C 102 174.832 174.861 -0.029 1
1 1262 . 14 1 1 A 105 105 GLU CA C 102 55.362 56.058 -0.696 1
1 1263 . 14 1 1 A 105 105 GLU CB C 102 31.160 32.210 -1.050 1
1 1265 . 14 1 1 A 105 105 GLU N N 102 125.842 122.116 3.726 1
1 1266 . 14 1 1 A 106 106 THR H H 103 7.678 8.337 -0.659 1
1 1267 . 14 1 1 A 106 106 THR HA H 103 4.424 4.837 -0.413 1
1 1272 . 14 1 1 A 106 106 THR C C 103 172.175 173.164 -0.989 1
1 1273 . 14 1 1 A 106 106 THR CA C 103 60.772 60.573 0.199 1
1 1274 . 14 1 1 A 106 106 THR CB C 103 67.599 69.734 -2.135 1
1 1276 . 14 1 1 A 106 106 THR N N 103 118.569 119.607 -1.038 1
1 1277 . 14 1 1 A 107 107 ASP H H 104 8.400 8.865 -0.465 1
1 1278 . 14 1 1 A 107 107 ASP HA H 104 4.635 4.634 0.001 1
1 1281 . 14 1 1 A 107 107 ASP C C 104 176.214 176.262 -0.048 1
1 1282 . 14 1 1 A 107 107 ASP CA C 104 55.771 56.659 -0.888 1
1 1283 . 14 1 1 A 107 107 ASP CB C 104 41.463 42.545 -1.082 1
1 1284 . 14 1 1 A 107 107 ASP N N 104 125.388 123.652 1.736 1
1 1285 . 14 1 1 A 108 108 GLU H H 105 7.995 7.321 0.674 1
1 1286 . 14 1 1 A 108 108 GLU HA H 105 4.524 4.826 -0.302 1
1 1291 . 14 1 1 A 108 108 GLU C C 105 175.340 175.842 -0.502 1
1 1292 . 14 1 1 A 108 108 GLU CA C 105 54.564 55.342 -0.778 1
1 1293 . 14 1 1 A 108 108 GLU CB C 105 30.953 31.633 -0.680 1
1 1295 . 14 1 1 A 108 108 GLU N N 105 120.222 116.148 4.074 1
1 1296 . 14 1 1 A 109 109 ILE H H 106 8.389 8.752 -0.363 1
1 1297 . 14 1 1 A 109 109 ILE HA H 106 3.853 4.198 -0.345 1
1 1307 . 14 1 1 A 109 109 ILE C C 106 176.324 176.434 -0.110 1
1 1308 . 14 1 1 A 109 109 ILE CA C 106 60.148 62.378 -2.230 1
1 1309 . 14 1 1 A 109 109 ILE CB C 106 38.950 40.092 -1.142 1
1 1313 . 14 1 1 A 109 109 ILE N N 106 124.088 123.010 1.078 1
1 1314 . 14 1 1 A 110 110 GLY H H 107 8.534 8.023 0.511 1
1 1315 . 14 1 1 A 110 110 GLY HA2 H 107 3.744 3.864 -0.120 1
1 1316 . 14 1 1 A 110 110 GLY HA3 H 107 3.705 3.892 -0.187 1
1 1317 . 14 1 1 A 110 110 GLY C C 107 175.021 174.148 0.873 1
1 1318 . 14 1 1 A 110 110 GLY CA C 107 46.530 47.202 -0.672 1
1 1319 . 14 1 1 A 110 110 GLY N N 107 109.224 108.344 0.880 1
1 1320 . 14 1 1 A 111 111 THR H H 108 7.892 8.136 -0.244 1
1 1321 . 14 1 1 A 111 111 THR HA H 108 4.255 4.561 -0.306 1
1 1326 . 14 1 1 A 111 111 THR C C 108 175.417 175.075 0.342 1
1 1327 . 14 1 1 A 111 111 THR CA C 108 61.287 62.708 -1.421 1
1 1328 . 14 1 1 A 111 111 THR CB C 108 68.657 71.619 -2.962 1
1 1330 . 14 1 1 A 111 111 THR N N 108 111.278 116.071 -4.793 1
1 1331 . 14 1 1 A 112 112 LEU H H 109 7.950 7.463 0.487 1
1 1332 . 14 1 1 A 112 112 LEU HA H 109 3.887 4.652 -0.765 1
1 1342 . 14 1 1 A 112 112 LEU C C 109 175.715 175.922 -0.207 1
1 1343 . 14 1 1 A 112 112 LEU CA C 109 56.661 54.242 2.419 1
1 1344 . 14 1 1 A 112 112 LEU CB C 109 43.310 43.447 -0.137 1
1 1348 . 14 1 1 A 112 112 LEU N N 109 122.017 115.071 6.946 1
1 1349 . 14 1 1 A 113 113 LEU H H 110 7.003 7.160 -0.157 1
1 1350 . 14 1 1 A 113 113 LEU HA H 110 4.327 4.565 -0.238 1
1 1360 . 14 1 1 A 113 113 LEU C C 110 175.563 173.751 1.812 1
1 1361 . 14 1 1 A 113 113 LEU CA C 110 52.377 54.154 -1.777 1
1 1362 . 14 1 1 A 113 113 LEU CB C 110 44.890 45.600 -0.710 1
1 1366 . 14 1 1 A 113 113 LEU N N 110 113.184 119.993 -6.809 1
1 1367 . 14 1 1 A 114 114 THR H H 111 9.101 8.602 0.499 1
1 1368 . 14 1 1 A 114 114 THR HA H 111 4.079 4.845 -0.766 1
1 1373 . 14 1 1 A 114 114 THR C C 111 173.117 173.646 -0.529 1
1 1374 . 14 1 1 A 114 114 THR CA C 111 62.838 61.875 0.963 1
1 1375 . 14 1 1 A 114 114 THR CB C 111 68.245 70.423 -2.178 1
1 1377 . 14 1 1 A 114 114 THR N N 111 119.602 120.733 -1.131 1
1 1378 . 14 1 1 A 115 115 LEU H H 112 8.461 8.945 -0.484 1
1 1379 . 14 1 1 A 115 115 LEU HA H 112 4.985 5.383 -0.398 1
1 1389 . 14 1 1 A 115 115 LEU C C 112 178.488 176.836 1.652 1
1 1390 . 14 1 1 A 115 115 LEU CA C 112 52.953 53.300 -0.347 1
1 1391 . 14 1 1 A 115 115 LEU CB C 112 43.316 45.761 -2.445 1
1 1395 . 14 1 1 A 115 115 LEU N N 112 129.372 126.292 3.080 1
1 1396 . 14 1 1 A 116 116 VAL H H 113 8.550 8.404 0.146 1
1 1397 . 14 1 1 A 116 116 VAL HA H 113 4.141 4.459 -0.318 1
1 1405 . 14 1 1 A 116 116 VAL C C 113 175.638 176.670 -1.032 1
1 1406 . 14 1 1 A 116 116 VAL CA C 113 61.559 61.519 0.040 1
1 1407 . 14 1 1 A 116 116 VAL CB C 113 32.128 31.997 0.131 1
1 1410 . 14 1 1 A 116 116 VAL N N 113 117.300 118.090 -0.790 1
1 1411 . 14 1 1 A 117 117 ASP H H 114 8.095 8.136 -0.041 1
1 1412 . 14 1 1 A 117 117 ASP HA H 114 4.561 4.791 -0.230 1
1 1415 . 14 1 1 A 117 117 ASP C C 114 175.610 176.510 -0.900 1
1 1416 . 14 1 1 A 117 117 ASP CA C 114 53.586 55.661 -2.075 1
1 1417 . 14 1 1 A 117 117 ASP CB C 114 41.131 42.143 -1.012 1
1 1418 . 14 1 1 A 117 117 ASP N N 114 121.410 121.140 0.270 1
1 1419 . 14 1 1 A 118 118 GLN H H 115 8.048 7.758 0.290 1
1 1420 . 14 1 1 A 118 118 GLN HA H 115 4.539 4.511 0.028 1
1 1427 . 14 1 1 A 118 118 GLN CA C 115 53.464 54.221 -0.757 1
1 1428 . 14 1 1 A 118 118 GLN CB C 115 29.143 28.084 1.059 1
1 1430 . 14 1 1 A 118 118 GLN N N 115 120.387 118.610 1.777 1
1 1432 . 14 1 1 A 119 119 PRO HA H 116 4.314 4.430 -0.116 1
1 1439 . 14 1 1 A 119 119 PRO C C 116 176.819 176.585 0.234 1
1 1440 . 14 1 1 A 119 119 PRO CA C 116 63.073 63.156 -0.083 1
1 1441 . 14 1 1 A 119 119 PRO CB C 116 32.117 31.641 0.476 1
1 1444 . 14 1 1 A 120 120 GLN H H 117 8.404 8.578 -0.174 1
1 1445 . 14 1 1 A 120 120 GLN HA H 117 4.172 4.248 -0.076 1
1 1452 . 14 1 1 A 120 120 GLN C C 117 174.745 176.338 -1.593 1
1 1453 . 14 1 1 A 120 120 GLN CA C 117 55.531 56.474 -0.943 1
1 1454 . 14 1 1 A 120 120 GLN CB C 117 29.529 28.727 0.802 1
1 1456 . 14 1 1 A 120 120 GLN N N 117 121.403 123.496 -2.093 1
1 14 . 15 1 1 A 5 5 ARG H H 2 8.281 8.642 -0.361 1
1 15 . 15 1 1 A 5 5 ARG HA H 2 4.126 4.652 -0.526 1
1 22 . 15 1 1 A 5 5 ARG C C 2 176.387 175.374 1.013 1
1 23 . 15 1 1 A 5 5 ARG CA C 2 56.556 55.854 0.702 1
1 24 . 15 1 1 A 5 5 ARG CB C 2 30.698 30.165 0.533 1
1 27 . 15 1 1 A 5 5 ARG N N 2 123.269 124.405 -1.136 1
1 28 . 15 1 1 A 6 6 LEU H H 3 8.527 8.719 -0.192 1
1 29 . 15 1 1 A 6 6 LEU HA H 3 4.414 5.236 -0.822 1
1 39 . 15 1 1 A 6 6 LEU C C 3 178.040 175.973 2.067 1
1 40 . 15 1 1 A 6 6 LEU CA C 3 54.270 52.783 1.487 1
1 41 . 15 1 1 A 6 6 LEU CB C 3 43.612 45.857 -2.245 1
1 45 . 15 1 1 A 6 6 LEU N N 3 125.588 119.227 6.361 1
1 46 . 15 1 1 A 7 7 LYS H H 4 8.646 8.456 0.190 1
1 47 . 15 1 1 A 7 7 LYS HA H 4 4.524 4.587 -0.063 1
1 56 . 15 1 1 A 7 7 LYS C C 4 178.029 177.595 0.434 1
1 57 . 15 1 1 A 7 7 LYS CA C 4 57.051 54.909 2.142 1
1 58 . 15 1 1 A 7 7 LYS CB C 4 32.877 33.406 -0.529 1
1 62 . 15 1 1 A 7 7 LYS N N 4 123.765 117.649 6.116 1
1 63 . 15 1 1 A 8 8 SER H H 5 8.316 8.298 0.018 1
1 64 . 15 1 1 A 8 8 SER HA H 5 3.720 3.922 -0.202 1
1 67 . 15 1 1 A 8 8 SER C C 5 174.858 176.017 -1.159 1
1 68 . 15 1 1 A 8 8 SER CA C 5 63.553 61.917 1.636 1
1 69 . 15 1 1 A 8 8 SER CB C 5 62.382 62.444 -0.062 1
1 70 . 15 1 1 A 8 8 SER N N 5 122.163 114.771 7.392 1
1 71 . 15 1 1 A 9 9 GLU H H 6 8.913 8.069 0.844 1
1 72 . 15 1 1 A 9 9 GLU HA H 6 3.401 3.249 0.152 1
1 77 . 15 1 1 A 9 9 GLU C C 6 177.494 178.182 -0.688 1
1 78 . 15 1 1 A 9 9 GLU CA C 6 59.824 58.690 1.134 1
1 79 . 15 1 1 A 9 9 GLU CB C 6 29.780 28.898 0.882 1
1 81 . 15 1 1 A 9 9 GLU N N 6 118.372 121.660 -3.288 1
1 82 . 15 1 1 A 10 10 MET H H 7 6.642 7.934 -1.292 1
1 83 . 15 1 1 A 10 10 MET HA H 7 4.200 4.221 -0.021 1
1 91 . 15 1 1 A 10 10 MET C C 7 178.173 178.354 -0.181 1
1 92 . 15 1 1 A 10 10 MET CA C 7 57.360 58.245 -0.885 1
1 93 . 15 1 1 A 10 10 MET CB C 7 32.761 32.166 0.595 1
1 96 . 15 1 1 A 10 10 MET N N 7 117.318 119.042 -1.724 1
1 97 . 15 1 1 A 11 11 PHE H H 8 8.432 7.543 0.889 1
1 98 . 15 1 1 A 11 11 PHE HA H 8 3.718 4.124 -0.406 1
1 105 . 15 1 1 A 11 11 PHE C C 8 177.603 177.298 0.305 1
1 106 . 15 1 1 A 11 11 PHE CA C 8 61.845 61.275 0.570 1
1 107 . 15 1 1 A 11 11 PHE CB C 8 38.595 39.060 -0.465 1
1 112 . 15 1 1 A 11 11 PHE N N 8 122.099 120.911 1.188 1
1 113 . 15 1 1 A 12 12 VAL H H 9 8.133 7.844 0.289 1
1 114 . 15 1 1 A 12 12 VAL HA H 9 3.021 3.856 -0.835 1
1 122 . 15 1 1 A 12 12 VAL C C 9 176.668 177.950 -1.282 1
1 123 . 15 1 1 A 12 12 VAL CA C 9 67.353 65.373 1.980 1
1 124 . 15 1 1 A 12 12 VAL CB C 9 31.238 31.619 -0.381 1
1 127 . 15 1 1 A 12 12 VAL N N 9 119.317 118.847 0.470 1
1 128 . 15 1 1 A 13 13 SER H H 10 7.750 7.883 -0.133 1
1 129 . 15 1 1 A 13 13 SER HA H 10 3.905 4.137 -0.232 1
1 132 . 15 1 1 A 13 13 SER C C 10 176.947 177.148 -0.201 1
1 133 . 15 1 1 A 13 13 SER CA C 10 61.775 61.288 0.487 1
1 134 . 15 1 1 A 13 13 SER CB C 10 62.483 62.420 0.063 1
1 135 . 15 1 1 A 13 13 SER N N 10 114.115 116.326 -2.211 1
1 136 . 15 1 1 A 14 14 ALA H H 11 7.776 7.522 0.254 1
1 137 . 15 1 1 A 14 14 ALA HA H 11 3.860 4.090 -0.230 1
1 141 . 15 1 1 A 14 14 ALA C C 11 179.154 179.480 -0.326 1
1 142 . 15 1 1 A 14 14 ALA CA C 11 54.811 54.726 0.085 1
1 143 . 15 1 1 A 14 14 ALA CB C 11 17.641 18.282 -0.641 1
1 144 . 15 1 1 A 14 14 ALA N N 11 123.170 123.539 -0.369 1
1 145 . 15 1 1 A 15 15 LEU H H 12 7.732 7.908 -0.176 1
1 146 . 15 1 1 A 15 15 LEU HA H 12 3.636 3.793 -0.157 1
1 156 . 15 1 1 A 15 15 LEU C C 12 177.617 178.610 -0.993 1
1 157 . 15 1 1 A 15 15 LEU CA C 12 57.790 57.460 0.330 1
1 158 . 15 1 1 A 15 15 LEU CB C 12 41.352 41.298 0.054 1
1 162 . 15 1 1 A 15 15 LEU N N 12 121.171 119.857 1.314 1
1 163 . 15 1 1 A 16 16 ILE H H 13 8.037 7.762 0.275 1
1 164 . 15 1 1 A 16 16 ILE HA H 13 3.061 3.623 -0.562 1
1 174 . 15 1 1 A 16 16 ILE C C 13 177.708 178.576 -0.868 1
1 175 . 15 1 1 A 16 16 ILE CA C 13 65.872 64.897 0.975 1
1 176 . 15 1 1 A 16 16 ILE CB C 13 37.704 37.039 0.665 1
1 180 . 15 1 1 A 16 16 ILE N N 13 117.849 120.006 -2.157 1
1 181 . 15 1 1 A 17 17 ARG H H 14 7.537 7.889 -0.352 1
1 182 . 15 1 1 A 17 17 ARG HA H 14 3.980 4.091 -0.111 1
1 189 . 15 1 1 A 17 17 ARG C C 14 179.876 178.808 1.068 1
1 190 . 15 1 1 A 17 17 ARG CA C 14 59.920 59.069 0.851 1
1 191 . 15 1 1 A 17 17 ARG CB C 14 29.995 29.576 0.419 1
1 194 . 15 1 1 A 17 17 ARG N N 14 117.366 120.917 -3.551 1
1 195 . 15 1 1 A 18 18 ARG H H 15 8.068 7.797 0.271 1
1 196 . 15 1 1 A 18 18 ARG HA H 15 3.868 3.978 -0.110 1
1 203 . 15 1 1 A 18 18 ARG C C 15 176.630 178.863 -2.233 1
1 204 . 15 1 1 A 18 18 ARG CA C 15 59.606 59.473 0.133 1
1 205 . 15 1 1 A 18 18 ARG CB C 15 30.327 30.602 -0.275 1
1 208 . 15 1 1 A 18 18 ARG N N 15 119.713 119.661 0.052 1
1 209 . 15 1 1 A 19 19 VAL H H 16 8.259 7.488 0.771 1
1 210 . 15 1 1 A 19 19 VAL HA H 16 3.296 3.723 -0.427 1
1 218 . 15 1 1 A 19 19 VAL C C 16 177.306 178.080 -0.774 1
1 219 . 15 1 1 A 19 19 VAL CA C 16 66.667 65.328 1.339 1
1 220 . 15 1 1 A 19 19 VAL CB C 16 30.421 31.540 -1.119 1
1 223 . 15 1 1 A 19 19 VAL N N 16 121.385 117.155 4.230 1
1 224 . 15 1 1 A 20 20 PHE H H 17 8.014 7.859 0.155 1
1 225 . 15 1 1 A 20 20 PHE HA H 17 4.222 4.286 -0.064 1
1 233 . 15 1 1 A 20 20 PHE C C 17 180.973 177.930 3.043 1
1 234 . 15 1 1 A 20 20 PHE CA C 17 61.988 61.374 0.614 1
1 235 . 15 1 1 A 20 20 PHE CB C 17 38.553 37.728 0.825 1
1 241 . 15 1 1 A 20 20 PHE N N 17 118.811 120.109 -1.298 1
1 242 . 15 1 1 A 21 21 ALA H H 18 8.192 7.973 0.219 1
1 243 . 15 1 1 A 21 21 ALA HA H 18 4.096 4.139 -0.043 1
1 247 . 15 1 1 A 21 21 ALA C C 18 178.425 179.141 -0.716 1
1 248 . 15 1 1 A 21 21 ALA CA C 18 54.716 54.706 0.010 1
1 249 . 15 1 1 A 21 21 ALA CB C 18 17.752 17.994 -0.242 1
1 250 . 15 1 1 A 21 21 ALA N N 18 122.995 121.819 1.176 1
1 251 . 15 1 1 A 22 22 ALA H H 19 7.256 7.322 -0.066 1
1 252 . 15 1 1 A 22 22 ALA HA H 19 4.356 4.382 -0.026 1
1 256 . 15 1 1 A 22 22 ALA C C 19 177.665 177.714 -0.049 1
1 257 . 15 1 1 A 22 22 ALA CA C 19 51.629 51.982 -0.353 1
1 258 . 15 1 1 A 22 22 ALA CB C 19 18.554 19.610 -1.056 1
1 259 . 15 1 1 A 22 22 ALA N N 19 118.872 117.625 1.247 1
1 260 . 15 1 1 A 23 23 GLY H H 20 7.774 8.761 -0.987 1
1 261 . 15 1 1 A 23 23 GLY HA2 H 20 4.207 3.950 0.257 1
1 262 . 15 1 1 A 23 23 GLY HA3 H 20 3.762 3.963 -0.201 1
1 263 . 15 1 1 A 23 23 GLY C C 20 174.779 174.670 0.109 1
1 264 . 15 1 1 A 23 23 GLY CA C 20 45.347 46.627 -1.280 1
1 265 . 15 1 1 A 23 23 GLY N N 20 106.718 108.218 -1.500 1
1 266 . 15 1 1 A 24 24 GLY H H 21 7.795 7.959 -0.164 1
1 267 . 15 1 1 A 24 24 GLY HA2 H 21 4.538 4.027 0.511 1
1 268 . 15 1 1 A 24 24 GLY HA3 H 21 3.306 4.063 -0.757 1
1 269 . 15 1 1 A 24 24 GLY C C 21 171.187 171.766 -0.579 1
1 270 . 15 1 1 A 24 24 GLY CA C 21 43.665 44.244 -0.579 1
1 271 . 15 1 1 A 24 24 GLY N N 21 108.369 106.483 1.886 1
1 272 . 15 1 1 A 25 25 PHE H H 22 7.340 8.539 -1.199 1
1 273 . 15 1 1 A 25 25 PHE HA H 22 3.784 4.338 -0.554 1
1 280 . 15 1 1 A 25 25 PHE C C 22 172.423 173.771 -1.348 1
1 281 . 15 1 1 A 25 25 PHE CA C 22 56.434 55.844 0.590 1
1 282 . 15 1 1 A 25 25 PHE CB C 22 42.819 42.644 0.175 1
1 287 . 15 1 1 A 25 25 PHE N N 22 117.754 120.874 -3.120 1
1 288 . 15 1 1 A 26 26 ALA H H 23 5.579 7.768 -2.189 1
1 289 . 15 1 1 A 26 26 ALA HA H 23 4.943 5.361 -0.418 1
1 293 . 15 1 1 A 26 26 ALA C C 23 173.842 175.416 -1.574 1
1 294 . 15 1 1 A 26 26 ALA CA C 23 50.257 51.183 -0.926 1
1 295 . 15 1 1 A 26 26 ALA CB C 23 25.150 23.796 1.354 1
1 296 . 15 1 1 A 26 26 ALA N N 23 126.477 127.689 -1.212 1
1 297 . 15 1 1 A 27 27 ALA H H 24 8.723 8.133 0.590 1
1 298 . 15 1 1 A 27 27 ALA HA H 24 4.330 4.825 -0.495 1
1 302 . 15 1 1 A 27 27 ALA C C 24 175.543 176.194 -0.651 1
1 303 . 15 1 1 A 27 27 ALA CA C 24 51.545 51.767 -0.222 1
1 304 . 15 1 1 A 27 27 ALA CB C 24 22.974 22.873 0.101 1
1 305 . 15 1 1 A 27 27 ALA N N 24 118.178 119.966 -1.788 1
1 306 . 15 1 1 A 28 28 VAL H H 25 8.841 8.967 -0.126 1
1 307 . 15 1 1 A 28 28 VAL HA H 25 3.972 4.100 -0.128 1
1 315 . 15 1 1 A 28 28 VAL C C 25 175.547 175.509 0.038 1
1 316 . 15 1 1 A 28 28 VAL CA C 25 64.153 63.398 0.755 1
1 317 . 15 1 1 A 28 28 VAL CB C 25 31.951 31.413 0.538 1
1 320 . 15 1 1 A 28 28 VAL N N 25 120.857 123.283 -2.426 1
1 321 . 15 1 1 A 29 29 GLU H H 26 8.595 8.990 -0.395 1
1 322 . 15 1 1 A 29 29 GLU HA H 26 4.275 4.396 -0.121 1
1 327 . 15 1 1 A 29 29 GLU C C 26 176.177 176.283 -0.106 1
1 328 . 15 1 1 A 29 29 GLU CA C 26 57.686 58.550 -0.864 1
1 329 . 15 1 1 A 29 29 GLU CB C 26 30.521 30.880 -0.359 1
1 331 . 15 1 1 A 29 29 GLU N N 26 132.091 127.315 4.776 1
1 332 . 15 1 1 A 30 30 LYS H H 27 8.163 7.795 0.368 1
1 333 . 15 1 1 A 30 30 LYS HA H 27 4.352 4.869 -0.517 1
1 342 . 15 1 1 A 30 30 LYS C C 27 174.232 174.578 -0.346 1
1 343 . 15 1 1 A 30 30 LYS CA C 27 55.370 54.885 0.485 1
1 344 . 15 1 1 A 30 30 LYS CB C 27 36.138 34.984 1.154 1
1 348 . 15 1 1 A 30 30 LYS N N 27 119.899 119.173 0.726 1
1 349 . 15 1 1 A 31 31 LYS H H 28 8.603 8.549 0.054 1
1 350 . 15 1 1 A 31 31 LYS HA H 28 3.268 4.305 -1.037 1
1 359 . 15 1 1 A 31 31 LYS C C 28 175.170 174.897 0.273 1
1 360 . 15 1 1 A 31 31 LYS CA C 28 56.089 53.758 2.331 1
1 361 . 15 1 1 A 31 31 LYS CB C 28 32.386 35.435 -3.049 1
1 365 . 15 1 1 A 31 31 LYS N N 28 129.067 127.062 2.005 1
1 366 . 15 1 1 A 32 32 GLY H H 29 3.335 6.506 -3.171 1
1 367 . 15 1 1 A 32 32 GLY HA2 H 29 3.652 3.962 -0.310 1
1 368 . 15 1 1 A 32 32 GLY HA3 H 29 2.313 3.986 -1.673 1
1 369 . 15 1 1 A 32 32 GLY C C 29 172.863 173.090 -0.227 1
1 370 . 15 1 1 A 32 32 GLY CA C 29 43.344 44.691 -1.347 1
1 371 . 15 1 1 A 32 32 GLY N N 29 113.639 111.579 2.060 1
1 372 . 15 1 1 A 33 33 ALA H H 30 8.202 8.292 -0.090 1
1 373 . 15 1 1 A 33 33 ALA HA H 30 4.173 4.432 -0.259 1
1 377 . 15 1 1 A 33 33 ALA C C 30 181.026 178.742 2.284 1
1 378 . 15 1 1 A 33 33 ALA CA C 30 52.674 52.444 0.230 1
1 379 . 15 1 1 A 33 33 ALA CB C 30 19.020 18.942 0.078 1
1 380 . 15 1 1 A 33 33 ALA N N 30 121.182 124.988 -3.806 1
1 381 . 15 1 1 A 34 34 GLU H H 31 9.313 9.175 0.138 1
1 382 . 15 1 1 A 34 34 GLU HA H 31 4.130 4.424 -0.294 1
1 387 . 15 1 1 A 34 34 GLU C C 31 177.137 178.817 -1.680 1
1 388 . 15 1 1 A 34 34 GLU CA C 31 61.214 59.582 1.632 1
1 389 . 15 1 1 A 34 34 GLU CB C 31 29.947 29.390 0.557 1
1 391 . 15 1 1 A 34 34 GLU N N 31 126.206 125.605 0.601 1
1 392 . 15 1 1 A 35 35 ALA H H 32 8.614 7.919 0.695 1
1 393 . 15 1 1 A 35 35 ALA HA H 32 4.377 4.279 0.098 1
1 397 . 15 1 1 A 35 35 ALA C C 32 180.260 178.718 1.542 1
1 398 . 15 1 1 A 35 35 ALA CA C 32 55.118 54.794 0.324 1
1 399 . 15 1 1 A 35 35 ALA CB C 32 18.192 19.322 -1.130 1
1 400 . 15 1 1 A 35 35 ALA N N 32 119.251 122.183 -2.932 1
1 401 . 15 1 1 A 36 36 ALA H H 33 8.467 7.986 0.481 1
1 402 . 15 1 1 A 36 36 ALA HA H 33 4.612 4.396 0.216 1
1 406 . 15 1 1 A 36 36 ALA C C 33 177.468 177.563 -0.095 1
1 407 . 15 1 1 A 36 36 ALA CA C 33 51.190 51.367 -0.177 1
1 408 . 15 1 1 A 36 36 ALA CB C 33 19.451 19.020 0.431 1
1 409 . 15 1 1 A 36 36 ALA N N 33 120.927 117.263 3.664 1
1 410 . 15 1 1 A 37 37 GLY H H 34 7.445 7.924 -0.479 1
1 411 . 15 1 1 A 37 37 GLY HA2 H 34 4.143 4.175 -0.032 1
1 412 . 15 1 1 A 37 37 GLY HA3 H 34 4.010 4.326 -0.316 1
1 413 . 15 1 1 A 37 37 GLY C C 34 174.885 173.413 1.472 1
1 414 . 15 1 1 A 37 37 GLY CA C 34 46.790 45.311 1.479 1
1 415 . 15 1 1 A 37 37 GLY N N 34 105.715 107.010 -1.295 1
1 416 . 15 1 1 A 38 38 ALA H H 35 9.722 8.316 1.406 1
1 417 . 15 1 1 A 38 38 ALA HA H 35 4.053 4.440 -0.387 1
1 421 . 15 1 1 A 38 38 ALA CA C 35 52.676 52.036 0.640 1
1 422 . 15 1 1 A 38 38 ALA CB C 35 20.069 19.885 0.184 1
1 423 . 15 1 1 A 38 38 ALA N N 35 131.782 121.983 9.799 1
1 424 . 15 1 1 A 39 39 ILE H H 36 7.776 8.528 -0.752 1
1 425 . 15 1 1 A 39 39 ILE HA H 36 4.533 5.142 -0.609 1
1 435 . 15 1 1 A 39 39 ILE C C 36 172.754 174.915 -2.161 1
1 436 . 15 1 1 A 39 39 ILE CA C 36 61.429 60.607 0.822 1
1 437 . 15 1 1 A 39 39 ILE CB C 36 40.275 40.699 -0.424 1
1 441 . 15 1 1 A 39 39 ILE N N 36 119.692 121.043 -1.351 1
1 442 . 15 1 1 A 40 40 PHE H H 37 8.513 9.429 -0.916 1
1 443 . 15 1 1 A 40 40 PHE HA H 37 5.242 5.813 -0.571 1
1 448 . 15 1 1 A 40 40 PHE C C 37 175.559 175.300 0.259 1
1 449 . 15 1 1 A 40 40 PHE CA C 37 56.375 56.276 0.099 1
1 450 . 15 1 1 A 40 40 PHE CB C 37 41.794 42.300 -0.506 1
1 453 . 15 1 1 A 40 40 PHE N N 37 123.003 126.043 -3.040 1
1 454 . 15 1 1 A 41 41 VAL H H 38 8.898 8.857 0.041 1
1 455 . 15 1 1 A 41 41 VAL HA H 38 4.981 5.178 -0.197 1
1 463 . 15 1 1 A 41 41 VAL C C 38 174.233 174.983 -0.750 1
1 464 . 15 1 1 A 41 41 VAL CA C 38 60.287 60.290 -0.003 1
1 465 . 15 1 1 A 41 41 VAL CB C 38 35.122 35.623 -0.501 1
1 468 . 15 1 1 A 41 41 VAL N N 38 120.239 121.696 -1.457 1
1 469 . 15 1 1 A 42 42 ARG H H 39 9.399 8.993 0.406 1
1 470 . 15 1 1 A 42 42 ARG HA H 39 5.094 5.431 -0.337 1
1 478 . 15 1 1 A 42 42 ARG C C 39 173.198 174.551 -1.353 1
1 479 . 15 1 1 A 42 42 ARG CA C 39 54.067 55.153 -1.086 1
1 480 . 15 1 1 A 42 42 ARG CB C 39 33.430 31.918 1.512 1
1 483 . 15 1 1 A 42 42 ARG N N 39 129.107 125.450 3.657 1
1 485 . 15 1 1 A 43 43 GLN H H 40 9.402 9.147 0.255 1
1 486 . 15 1 1 A 43 43 GLN HA H 40 5.371 4.719 0.652 1
1 493 . 15 1 1 A 43 43 GLN C C 40 174.278 174.911 -0.633 1
1 494 . 15 1 1 A 43 43 GLN CA C 40 52.778 55.766 -2.988 1
1 495 . 15 1 1 A 43 43 GLN CB C 40 31.703 29.425 2.278 1
1 497 . 15 1 1 A 43 43 GLN N N 40 127.936 125.643 2.293 1
1 499 . 15 1 1 A 44 44 ARG H H 41 8.875 8.872 0.003 1
1 500 . 15 1 1 A 44 44 ARG HA H 41 4.488 4.812 -0.324 1
1 507 . 15 1 1 A 44 44 ARG C C 41 175.417 175.108 0.309 1
1 508 . 15 1 1 A 44 44 ARG CA C 41 56.319 55.330 0.989 1
1 509 . 15 1 1 A 44 44 ARG CB C 41 31.231 31.574 -0.343 1
1 512 . 15 1 1 A 44 44 ARG N N 41 127.617 128.695 -1.078 1
1 513 . 15 1 1 A 45 45 LEU H H 42 8.494 8.808 -0.314 1
1 514 . 15 1 1 A 45 45 LEU HA H 42 4.480 4.542 -0.062 1
1 524 . 15 1 1 A 45 45 LEU C C 42 179.893 178.548 1.345 1
1 525 . 15 1 1 A 45 45 LEU CA C 42 53.972 54.598 -0.626 1
1 526 . 15 1 1 A 45 45 LEU CB C 42 42.206 42.112 0.094 1
1 530 . 15 1 1 A 45 45 LEU N N 42 125.380 128.015 -2.635 1
1 531 . 15 1 1 A 46 46 ARG H H 43 9.223 8.794 0.429 1
1 532 . 15 1 1 A 46 46 ARG HA H 43 3.929 4.074 -0.145 1
1 539 . 15 1 1 A 46 46 ARG C C 43 177.114 177.171 -0.057 1
1 540 . 15 1 1 A 46 46 ARG CA C 43 58.773 58.903 -0.130 1
1 541 . 15 1 1 A 46 46 ARG CB C 43 29.688 29.708 -0.020 1
1 544 . 15 1 1 A 46 46 ARG N N 43 121.380 122.822 -1.442 1
1 545 . 15 1 1 A 47 47 ASP H H 44 7.727 7.992 -0.265 1
1 546 . 15 1 1 A 47 47 ASP HA H 44 4.373 4.594 -0.221 1
1 549 . 15 1 1 A 47 47 ASP C C 44 177.125 176.585 0.540 1
1 550 . 15 1 1 A 47 47 ASP CA C 44 53.256 54.120 -0.864 1
1 551 . 15 1 1 A 47 47 ASP CB C 44 39.993 40.956 -0.963 1
1 552 . 15 1 1 A 47 47 ASP N N 44 115.801 117.806 -2.005 1
1 553 . 15 1 1 A 48 48 GLY H H 45 7.878 8.066 -0.188 1
1 554 . 15 1 1 A 48 48 GLY HA2 H 45 4.237 3.914 0.323 1
1 555 . 15 1 1 A 48 48 GLY HA3 H 45 3.531 3.916 -0.385 1
1 556 . 15 1 1 A 48 48 GLY C C 45 175.041 174.165 0.876 1
1 557 . 15 1 1 A 48 48 GLY CA C 45 45.289 45.486 -0.197 1
1 558 . 15 1 1 A 48 48 GLY N N 45 108.005 107.896 0.109 1
1 559 . 15 1 1 A 49 49 ARG H H 46 7.696 7.808 -0.112 1
1 560 . 15 1 1 A 49 49 ARG HA H 46 4.309 4.720 -0.411 1
1 567 . 15 1 1 A 49 49 ARG C C 46 174.199 175.344 -1.145 1
1 568 . 15 1 1 A 49 49 ARG CA C 46 55.909 55.446 0.463 1
1 569 . 15 1 1 A 49 49 ARG CB C 46 31.226 31.595 -0.369 1
1 572 . 15 1 1 A 49 49 ARG N N 46 120.601 120.158 0.443 1
1 573 . 15 1 1 A 50 50 GLU H H 47 8.885 8.717 0.168 1
1 574 . 15 1 1 A 50 50 GLU HA H 47 5.381 5.736 -0.355 1
1 579 . 15 1 1 A 50 50 GLU C C 47 175.590 174.712 0.878 1
1 580 . 15 1 1 A 50 50 GLU CA C 47 55.057 54.801 0.256 1
1 581 . 15 1 1 A 50 50 GLU CB C 47 35.650 34.102 1.548 1
1 583 . 15 1 1 A 50 50 GLU N N 47 116.439 119.872 -3.433 1
1 584 . 15 1 1 A 51 51 ASN H H 48 8.683 9.070 -0.387 1
1 585 . 15 1 1 A 51 51 ASN HA H 48 5.153 5.386 -0.233 1
1 590 . 15 1 1 A 51 51 ASN C C 48 173.562 173.029 0.533 1
1 591 . 15 1 1 A 51 51 ASN CA C 48 50.361 51.703 -1.342 1
1 592 . 15 1 1 A 51 51 ASN CB C 48 41.823 41.533 0.290 1
1 593 . 15 1 1 A 51 51 ASN N N 48 114.752 121.629 -6.877 1
1 595 . 15 1 1 A 52 52 LEU H H 49 8.847 8.395 0.452 1
1 596 . 15 1 1 A 52 52 LEU HA H 49 5.274 4.979 0.295 1
1 606 . 15 1 1 A 52 52 LEU C C 49 174.213 174.075 0.138 1
1 607 . 15 1 1 A 52 52 LEU CA C 49 52.889 53.361 -0.472 1
1 608 . 15 1 1 A 52 52 LEU CB C 49 46.300 44.706 1.594 1
1 612 . 15 1 1 A 52 52 LEU N N 49 120.365 125.897 -5.532 1
1 613 . 15 1 1 A 53 53 TYR H H 50 9.641 9.060 0.581 1
1 614 . 15 1 1 A 53 53 TYR HA H 50 5.519 5.552 -0.033 1
1 621 . 15 1 1 A 53 53 TYR C C 50 175.473 175.369 0.104 1
1 622 . 15 1 1 A 53 53 TYR CA C 50 55.928 55.618 0.310 1
1 623 . 15 1 1 A 53 53 TYR CB C 50 40.076 42.995 -2.919 1
1 628 . 15 1 1 A 53 53 TYR N N 50 127.507 125.026 2.481 1
1 629 . 15 1 1 A 54 54 GLY H H 51 8.893 8.779 0.114 1
1 630 . 15 1 1 A 54 54 GLY HA2 H 51 4.687 3.462 1.225 1
1 631 . 15 1 1 A 54 54 GLY HA3 H 51 3.127 3.904 -0.777 1
1 632 . 15 1 1 A 54 54 GLY CA C 51 44.040 44.002 0.038 1
1 633 . 15 1 1 A 54 54 GLY N N 51 108.518 109.117 -0.599 1
1 634 . 15 1 1 A 55 55 PRO HA H 52 3.849 3.610 0.239 1
1 641 . 15 1 1 A 55 55 PRO C C 52 176.695 176.332 0.363 1
1 642 . 15 1 1 A 55 55 PRO CA C 52 63.187 61.546 1.641 1
1 643 . 15 1 1 A 55 55 PRO CB C 52 32.096 30.816 1.280 1
1 646 . 15 1 1 A 56 56 ALA H H 53 7.675 7.797 -0.122 1
1 647 . 15 1 1 A 56 56 ALA HA H 53 4.242 4.605 -0.363 1
1 651 . 15 1 1 A 56 56 ALA CA C 53 49.506 50.509 -1.003 1
1 652 . 15 1 1 A 56 56 ALA CB C 53 18.096 17.708 0.388 1
1 653 . 15 1 1 A 56 56 ALA N N 53 126.695 124.708 1.987 1
1 654 . 15 1 1 A 57 57 PRO HA H 54 4.186 4.492 -0.306 1
1 661 . 15 1 1 A 57 57 PRO C C 54 179.368 176.688 2.680 1
1 662 . 15 1 1 A 57 57 PRO CA C 54 63.116 63.180 -0.064 1
1 663 . 15 1 1 A 57 57 PRO CB C 54 31.747 31.730 0.017 1
1 666 . 15 1 1 A 58 58 GLN H H 55 8.278 8.580 -0.302 1
1 667 . 15 1 1 A 58 58 GLN HA H 55 4.083 4.194 -0.111 1
1 674 . 15 1 1 A 58 58 GLN C C 55 175.368 176.354 -0.986 1
1 675 . 15 1 1 A 58 58 GLN CA C 55 55.635 56.111 -0.476 1
1 676 . 15 1 1 A 58 58 GLN CB C 55 29.927 29.911 0.016 1
1 678 . 15 1 1 A 58 58 GLN N N 55 121.313 122.228 -0.915 1
1 680 . 15 1 1 A 59 59 SER H H 56 8.182 8.777 -0.595 1
1 681 . 15 1 1 A 59 59 SER HA H 56 4.246 4.445 -0.199 1
1 684 . 15 1 1 A 59 59 SER C C 56 174.075 173.420 0.655 1
1 685 . 15 1 1 A 59 59 SER CA C 56 57.667 57.929 -0.262 1
1 686 . 15 1 1 A 59 59 SER CB C 56 63.751 61.355 2.396 1
1 687 . 15 1 1 A 59 59 SER N N 56 117.615 120.783 -3.168 1
1 688 . 15 1 1 A 60 60 PHE H H 57 8.100 7.612 0.488 1
1 689 . 15 1 1 A 60 60 PHE HA H 57 4.493 4.874 -0.381 1
1 696 . 15 1 1 A 60 60 PHE C C 57 175.439 174.769 0.670 1
1 697 . 15 1 1 A 60 60 PHE CA C 57 57.622 55.647 1.975 1
1 698 . 15 1 1 A 60 60 PHE CB C 57 39.519 40.206 -0.687 1
1 703 . 15 1 1 A 60 60 PHE N N 57 121.890 119.006 2.884 1
1 704 . 15 1 1 A 61 61 ALA H H 58 8.234 8.675 -0.441 1
1 705 . 15 1 1 A 61 61 ALA HA H 58 4.165 4.776 -0.611 1
1 709 . 15 1 1 A 61 61 ALA C C 58 179.286 177.418 1.868 1
1 710 . 15 1 1 A 61 61 ALA CA C 58 52.471 51.017 1.454 1
1 711 . 15 1 1 A 61 61 ALA CB C 58 19.444 20.390 -0.946 1
1 712 . 15 1 1 A 61 61 ALA N N 58 124.383 124.524 -0.141 1
1 713 . 15 1 1 A 62 62 ASP H H 59 8.017 9.419 -1.402 1
1 714 . 15 1 1 A 62 62 ASP HA H 59 4.412 4.384 0.028 1
1 717 . 15 1 1 A 62 62 ASP C C 59 176.073 174.821 1.252 1
1 718 . 15 1 1 A 62 62 ASP CA C 59 54.360 55.287 -0.927 1
1 719 . 15 1 1 A 62 62 ASP CB C 59 41.213 39.974 1.239 1
1 720 . 15 1 1 A 62 62 ASP N N 59 118.579 124.464 -5.885 1
1 721 . 15 1 1 A 63 63 ASP H H 60 8.096 8.710 -0.614 1
1 722 . 15 1 1 A 63 63 ASP HA H 60 4.346 4.247 0.099 1
1 725 . 15 1 1 A 63 63 ASP C C 60 176.619 175.711 0.908 1
1 726 . 15 1 1 A 63 63 ASP CA C 60 54.714 55.696 -0.982 1
1 727 . 15 1 1 A 63 63 ASP CB C 60 40.801 38.935 1.866 1
1 728 . 15 1 1 A 63 63 ASP N N 60 119.530 112.303 7.227 1
1 729 . 15 1 1 A 64 64 GLU H H 61 8.109 8.044 0.065 1
1 730 . 15 1 1 A 64 64 GLU HA H 61 4.012 4.157 -0.145 1
1 735 . 15 1 1 A 64 64 GLU C C 61 176.652 178.875 -2.223 1
1 736 . 15 1 1 A 64 64 GLU CA C 61 57.301 58.985 -1.684 1
1 737 . 15 1 1 A 64 64 GLU CB C 61 30.107 30.105 0.002 1
1 739 . 15 1 1 A 64 64 GLU N N 61 120.050 118.123 1.927 1
1 740 . 15 1 1 A 65 65 ASP H H 62 8.062 8.376 -0.314 1
1 741 . 15 1 1 A 65 65 ASP HA H 62 4.369 4.467 -0.098 1
1 744 . 15 1 1 A 65 65 ASP C C 62 177.458 178.073 -0.615 1
1 745 . 15 1 1 A 65 65 ASP CA C 62 54.645 56.172 -1.527 1
1 746 . 15 1 1 A 65 65 ASP CB C 62 40.896 40.902 -0.006 1
1 747 . 15 1 1 A 65 65 ASP N N 62 120.211 120.252 -0.041 1
1 748 . 15 1 1 A 66 66 ILE H H 63 7.805 7.484 0.321 1
1 749 . 15 1 1 A 66 66 ILE HA H 63 3.708 3.742 -0.034 1
1 759 . 15 1 1 A 66 66 ILE C C 63 176.802 177.421 -0.619 1
1 760 . 15 1 1 A 66 66 ILE CA C 63 62.754 64.720 -1.966 1
1 761 . 15 1 1 A 66 66 ILE CB C 63 38.230 37.880 0.350 1
1 765 . 15 1 1 A 66 66 ILE N N 63 121.259 118.963 2.296 1
1 766 . 15 1 1 A 67 67 MET H H 64 7.950 7.830 0.120 1
1 767 . 15 1 1 A 67 67 MET HA H 64 4.229 4.686 -0.457 1
1 775 . 15 1 1 A 67 67 MET C C 64 176.724 176.326 0.398 1
1 776 . 15 1 1 A 67 67 MET CA C 64 55.944 54.229 1.715 1
1 777 . 15 1 1 A 67 67 MET CB C 64 31.826 32.880 -1.054 1
1 780 . 15 1 1 A 67 67 MET N N 64 118.533 115.775 2.758 1
1 781 . 15 1 1 A 68 68 ARG H H 65 7.604 7.602 0.002 1
1 782 . 15 1 1 A 68 68 ARG HA H 65 4.197 4.427 -0.230 1
1 789 . 15 1 1 A 68 68 ARG C C 65 175.530 175.969 -0.439 1
1 790 . 15 1 1 A 68 68 ARG CA C 65 56.028 56.220 -0.192 1
1 791 . 15 1 1 A 68 68 ARG CB C 65 30.760 33.109 -2.349 1
1 794 . 15 1 1 A 68 68 ARG N N 65 118.706 118.052 0.654 1
1 795 . 15 1 1 A 69 69 ALA H H 66 7.634 7.522 0.112 1
1 796 . 15 1 1 A 69 69 ALA HA H 66 4.254 4.751 -0.497 1
1 800 . 15 1 1 A 69 69 ALA C C 66 176.846 176.049 0.797 1
1 801 . 15 1 1 A 69 69 ALA CA C 66 51.905 50.467 1.438 1
1 802 . 15 1 1 A 69 69 ALA CB C 66 20.023 22.341 -2.318 1
1 803 . 15 1 1 A 69 69 ALA N N 66 123.528 120.196 3.332 1
1 804 . 15 1 1 A 70 70 GLU H H 67 8.192 8.610 -0.418 1
1 805 . 15 1 1 A 70 70 GLU HA H 67 4.228 4.343 -0.115 1
1 810 . 15 1 1 A 70 70 GLU C C 67 176.333 176.162 0.171 1
1 811 . 15 1 1 A 70 70 GLU CA C 67 55.928 56.806 -0.878 1
1 812 . 15 1 1 A 70 70 GLU CB C 67 30.769 29.982 0.787 1
1 814 . 15 1 1 A 70 70 GLU N N 67 120.599 121.217 -0.618 1
1 815 . 15 1 1 A 71 71 ARG H H 68 8.674 8.384 0.290 1
1 816 . 15 1 1 A 71 71 ARG HA H 68 3.696 4.613 -0.917 1
1 823 . 15 1 1 A 71 71 ARG C C 68 175.422 175.435 -0.013 1
1 824 . 15 1 1 A 71 71 ARG CA C 68 56.964 56.260 0.704 1
1 825 . 15 1 1 A 71 71 ARG CB C 68 30.886 30.356 0.530 1
1 828 . 15 1 1 A 71 71 ARG N N 68 123.533 124.458 -0.925 1
1 829 . 15 1 1 A 72 72 ARG H H 69 7.660 8.708 -1.048 1
1 830 . 15 1 1 A 72 72 ARG HA H 69 4.642 4.602 0.040 1
1 837 . 15 1 1 A 72 72 ARG C C 69 175.051 176.064 -1.013 1
1 838 . 15 1 1 A 72 72 ARG CA C 69 54.297 55.607 -1.310 1
1 839 . 15 1 1 A 72 72 ARG CB C 69 33.555 31.378 2.177 1
1 842 . 15 1 1 A 72 72 ARG N N 69 120.057 124.830 -4.773 1
1 843 . 15 1 1 A 73 73 PHE H H 70 8.714 8.820 -0.106 1
1 844 . 15 1 1 A 73 73 PHE HA H 70 5.020 4.951 0.069 1
1 852 . 15 1 1 A 73 73 PHE C C 70 173.159 174.691 -1.532 1
1 853 . 15 1 1 A 73 73 PHE CA C 70 57.359 56.865 0.494 1
1 854 . 15 1 1 A 73 73 PHE CB C 70 43.426 42.569 0.857 1
1 860 . 15 1 1 A 73 73 PHE N N 70 119.519 121.463 -1.944 1
1 861 . 15 1 1 A 74 74 GLU H H 71 9.404 9.233 0.171 1
1 862 . 15 1 1 A 74 74 GLU HA H 71 4.996 5.038 -0.042 1
1 867 . 15 1 1 A 74 74 GLU C C 71 175.559 174.549 1.010 1
1 868 . 15 1 1 A 74 74 GLU CA C 71 52.975 54.723 -1.748 1
1 869 . 15 1 1 A 74 74 GLU CB C 71 33.399 33.672 -0.273 1
1 871 . 15 1 1 A 74 74 GLU N N 71 117.679 118.247 -0.568 1
1 872 . 15 1 1 A 75 75 THR H H 72 9.801 9.055 0.746 1
1 873 . 15 1 1 A 75 75 THR HA H 72 4.108 4.945 -0.837 1
1 878 . 15 1 1 A 75 75 THR C C 72 175.065 174.059 1.006 1
1 879 . 15 1 1 A 75 75 THR CA C 72 64.296 62.381 1.915 1
1 880 . 15 1 1 A 75 75 THR CB C 72 67.635 69.152 -1.517 1
1 882 . 15 1 1 A 75 75 THR N N 72 122.320 117.726 4.594 1
1 883 . 15 1 1 A 76 76 ARG H H 73 9.150 8.981 0.169 1
1 884 . 15 1 1 A 76 76 ARG HA H 73 4.283 4.313 -0.030 1
1 892 . 15 1 1 A 76 76 ARG C C 73 176.574 176.678 -0.104 1
1 893 . 15 1 1 A 76 76 ARG CA C 73 55.858 58.126 -2.268 1
1 894 . 15 1 1 A 76 76 ARG CB C 73 30.930 30.955 -0.025 1
1 897 . 15 1 1 A 76 76 ARG N N 73 127.709 128.008 -0.299 1
1 899 . 15 1 1 A 77 77 LEU H H 74 7.520 7.465 0.055 1
1 900 . 15 1 1 A 77 77 LEU HA H 74 4.480 4.915 -0.435 1
1 910 . 15 1 1 A 77 77 LEU C C 74 174.509 175.124 -0.615 1
1 911 . 15 1 1 A 77 77 LEU CA C 74 54.222 53.300 0.922 1
1 912 . 15 1 1 A 77 77 LEU CB C 74 47.315 46.381 0.934 1
1 916 . 15 1 1 A 77 77 LEU N N 74 117.021 117.625 -0.604 1
1 917 . 15 1 1 A 78 78 ALA H H 75 8.600 8.401 0.199 1
1 918 . 15 1 1 A 78 78 ALA HA H 75 4.999 4.581 0.418 1
1 922 . 15 1 1 A 78 78 ALA C C 75 176.343 177.330 -0.987 1
1 923 . 15 1 1 A 78 78 ALA CA C 75 50.324 51.532 -1.208 1
1 924 . 15 1 1 A 78 78 ALA CB C 75 21.074 21.515 -0.441 1
1 925 . 15 1 1 A 78 78 ALA N N 75 124.663 121.972 2.691 1
1 926 . 15 1 1 A 79 79 GLY H H 76 8.730 8.697 0.033 1
1 927 . 15 1 1 A 79 79 GLY HA2 H 76 3.706 3.838 -0.132 1
1 928 . 15 1 1 A 79 79 GLY HA3 H 76 3.306 3.838 -0.532 1
1 929 . 15 1 1 A 79 79 GLY C C 76 175.173 174.109 1.064 1
1 930 . 15 1 1 A 79 79 GLY CA C 76 47.520 46.651 0.869 1
1 931 . 15 1 1 A 79 79 GLY N N 76 114.411 111.837 2.574 1
1 932 . 15 1 1 A 80 80 VAL H H 77 8.380 7.725 0.655 1
1 933 . 15 1 1 A 80 80 VAL HA H 77 4.643 4.578 0.065 1
1 941 . 15 1 1 A 80 80 VAL C C 77 175.208 175.094 0.114 1
1 942 . 15 1 1 A 80 80 VAL CA C 77 59.289 59.938 -0.649 1
1 943 . 15 1 1 A 80 80 VAL CB C 77 34.226 33.993 0.233 1
1 946 . 15 1 1 A 80 80 VAL N N 77 112.611 116.795 -4.184 1
1 947 . 15 1 1 A 81 81 GLU H H 78 8.415 8.466 -0.051 1
1 948 . 15 1 1 A 81 81 GLU HA H 78 4.451 4.623 -0.172 1
1 953 . 15 1 1 A 81 81 GLU C C 78 178.955 178.145 0.810 1
1 954 . 15 1 1 A 81 81 GLU CA C 78 55.631 54.729 0.902 1
1 955 . 15 1 1 A 81 81 GLU CB C 78 30.535 30.773 -0.238 1
1 957 . 15 1 1 A 81 81 GLU N N 78 117.186 121.033 -3.847 1
1 958 . 15 1 1 A 82 82 GLY H H 79 8.834 8.762 0.072 1
1 959 . 15 1 1 A 82 82 GLY HA2 H 79 3.810 3.846 -0.036 1
1 960 . 15 1 1 A 82 82 GLY HA3 H 79 3.518 3.847 -0.329 1
1 961 . 15 1 1 A 82 82 GLY C C 79 176.446 175.710 0.736 1
1 962 . 15 1 1 A 82 82 GLY CA C 79 47.629 47.204 0.425 1
1 963 . 15 1 1 A 82 82 GLY N N 79 109.312 108.210 1.102 1
1 964 . 15 1 1 A 83 83 GLU H H 80 8.747 8.297 0.450 1
1 965 . 15 1 1 A 83 83 GLU HA H 80 3.972 4.012 -0.040 1
1 970 . 15 1 1 A 83 83 GLU C C 80 179.046 179.166 -0.120 1
1 971 . 15 1 1 A 83 83 GLU CA C 80 59.403 59.492 -0.089 1
1 972 . 15 1 1 A 83 83 GLU CB C 80 29.005 29.195 -0.190 1
1 974 . 15 1 1 A 83 83 GLU N N 80 119.416 121.795 -2.379 1
1 975 . 15 1 1 A 84 84 GLU H H 81 7.588 7.669 -0.081 1
1 976 . 15 1 1 A 84 84 GLU HA H 81 4.003 4.097 -0.094 1
1 981 . 15 1 1 A 84 84 GLU C C 81 179.682 179.384 0.298 1
1 982 . 15 1 1 A 84 84 GLU CA C 81 59.213 59.321 -0.108 1
1 983 . 15 1 1 A 84 84 GLU CB C 81 29.473 29.874 -0.401 1
1 985 . 15 1 1 A 84 84 GLU N N 81 120.110 118.988 1.122 1
1 986 . 15 1 1 A 85 85 ILE H H 82 6.936 7.912 -0.976 1
1 987 . 15 1 1 A 85 85 ILE HA H 82 3.356 3.610 -0.254 1
1 997 . 15 1 1 A 85 85 ILE C C 82 177.308 177.833 -0.525 1
1 998 . 15 1 1 A 85 85 ILE CA C 82 64.055 65.831 -1.776 1
1 999 . 15 1 1 A 85 85 ILE CB C 82 36.836 37.953 -1.117 1
1 1003 . 15 1 1 A 85 85 ILE N N 82 120.268 121.404 -1.136 1
1 1004 . 15 1 1 A 86 86 ALA H H 83 8.292 8.551 -0.259 1
1 1005 . 15 1 1 A 86 86 ALA HA H 83 3.787 3.979 -0.192 1
1 1009 . 15 1 1 A 86 86 ALA C C 83 180.345 179.776 0.569 1
1 1010 . 15 1 1 A 86 86 ALA CA C 83 55.103 55.312 -0.209 1
1 1011 . 15 1 1 A 86 86 ALA CB C 83 17.928 18.143 -0.215 1
1 1012 . 15 1 1 A 86 86 ALA N N 83 121.052 121.366 -0.314 1
1 1013 . 15 1 1 A 87 87 ALA H H 84 7.516 7.703 -0.187 1
1 1014 . 15 1 1 A 87 87 ALA HA H 84 4.006 4.096 -0.090 1
1 1018 . 15 1 1 A 87 87 ALA C C 84 180.272 179.324 0.948 1
1 1019 . 15 1 1 A 87 87 ALA CA C 84 54.765 55.075 -0.310 1
1 1020 . 15 1 1 A 87 87 ALA CB C 84 17.949 18.136 -0.187 1
1 1021 . 15 1 1 A 87 87 ALA N N 84 119.052 120.497 -1.445 1
1 1022 . 15 1 1 A 88 88 LEU H H 85 7.285 7.569 -0.284 1
1 1023 . 15 1 1 A 88 88 LEU HA H 85 4.042 4.147 -0.105 1
1 1033 . 15 1 1 A 88 88 LEU C C 85 174.921 178.800 -3.879 1
1 1034 . 15 1 1 A 88 88 LEU CA C 85 58.290 57.136 1.154 1
1 1035 . 15 1 1 A 88 88 LEU CB C 85 41.610 42.363 -0.753 1
1 1039 . 15 1 1 A 88 88 LEU N N 85 121.211 119.335 1.876 1
1 1040 . 15 1 1 A 89 89 LEU H H 86 8.472 8.184 0.288 1
1 1041 . 15 1 1 A 89 89 LEU HA H 86 3.486 3.749 -0.263 1
1 1051 . 15 1 1 A 89 89 LEU C C 86 178.855 179.464 -0.609 1
1 1052 . 15 1 1 A 89 89 LEU CA C 86 57.476 57.048 0.428 1
1 1053 . 15 1 1 A 89 89 LEU CB C 86 41.478 41.012 0.466 1
1 1057 . 15 1 1 A 89 89 LEU N N 86 118.740 118.344 0.396 1
1 1058 . 15 1 1 A 90 90 GLU H H 87 7.926 8.094 -0.168 1
1 1059 . 15 1 1 A 90 90 GLU HA H 87 3.726 3.942 -0.216 1
1 1064 . 15 1 1 A 90 90 GLU C C 87 178.738 179.233 -0.495 1
1 1065 . 15 1 1 A 90 90 GLU CA C 87 59.511 58.858 0.653 1
1 1066 . 15 1 1 A 90 90 GLU CB C 87 28.855 29.521 -0.666 1
1 1068 . 15 1 1 A 90 90 GLU N N 87 119.669 120.466 -0.797 1
1 1069 . 15 1 1 A 91 91 ARG H H 88 7.069 7.902 -0.833 1
1 1070 . 15 1 1 A 91 91 ARG HA H 88 3.762 4.201 -0.439 1
1 1077 . 15 1 1 A 91 91 ARG C C 88 178.920 178.733 0.187 1
1 1078 . 15 1 1 A 91 91 ARG CA C 88 59.544 59.574 -0.030 1
1 1079 . 15 1 1 A 91 91 ARG CB C 88 29.723 29.912 -0.189 1
1 1082 . 15 1 1 A 91 91 ARG N N 88 119.088 119.674 -0.586 1
1 1083 . 15 1 1 A 92 92 GLU H H 89 8.170 8.176 -0.006 1
1 1084 . 15 1 1 A 92 92 GLU HA H 89 4.021 4.133 -0.112 1
1 1089 . 15 1 1 A 92 92 GLU C C 89 180.250 179.675 0.575 1
1 1090 . 15 1 1 A 92 92 GLU CA C 89 58.661 58.828 -0.167 1
1 1091 . 15 1 1 A 92 92 GLU CB C 89 28.073 29.190 -1.117 1
1 1093 . 15 1 1 A 92 92 GLU N N 89 117.768 119.153 -1.385 1
1 1094 . 15 1 1 A 93 93 ARG H H 90 8.355 8.019 0.336 1
1 1095 . 15 1 1 A 93 93 ARG HA H 90 4.003 4.432 -0.429 1
1 1102 . 15 1 1 A 93 93 ARG C C 90 177.592 178.592 -1.000 1
1 1103 . 15 1 1 A 93 93 ARG CA C 90 57.744 58.899 -1.155 1
1 1104 . 15 1 1 A 93 93 ARG CB C 90 30.325 29.895 0.430 1
1 1107 . 15 1 1 A 93 93 ARG N N 90 119.179 118.911 0.268 1
1 1108 . 15 1 1 A 94 94 ARG H H 91 7.232 7.689 -0.457 1
1 1109 . 15 1 1 A 94 94 ARG HA H 91 3.788 4.032 -0.244 1
1 1116 . 15 1 1 A 94 94 ARG C C 91 177.986 178.016 -0.030 1
1 1117 . 15 1 1 A 94 94 ARG CA C 91 58.462 58.809 -0.347 1
1 1118 . 15 1 1 A 94 94 ARG CB C 91 29.565 29.809 -0.244 1
1 1121 . 15 1 1 A 94 94 ARG N N 91 118.441 120.092 -1.651 1
1 1122 . 15 1 1 A 95 95 PHE H H 92 7.048 7.621 -0.573 1
1 1123 . 15 1 1 A 95 95 PHE HA H 92 4.474 4.532 -0.058 1
1 1128 . 15 1 1 A 95 95 PHE C C 92 175.728 176.142 -0.414 1
1 1129 . 15 1 1 A 95 95 PHE CA C 92 58.210 58.929 -0.719 1
1 1130 . 15 1 1 A 95 95 PHE CB C 92 39.724 40.956 -1.232 1
1 1133 . 15 1 1 A 95 95 PHE N N 92 115.951 116.266 -0.315 1
1 1134 . 15 1 1 A 96 96 ASP H H 93 7.793 7.993 -0.200 1
1 1135 . 15 1 1 A 96 96 ASP HA H 93 4.703 4.847 -0.144 1
1 1138 . 15 1 1 A 96 96 ASP C C 93 179.474 175.906 3.568 1
1 1139 . 15 1 1 A 96 96 ASP CA C 93 53.103 53.691 -0.588 1
1 1140 . 15 1 1 A 96 96 ASP CB C 93 41.634 41.319 0.315 1
1 1141 . 15 1 1 A 96 96 ASP N N 93 119.328 118.999 0.329 1
1 1142 . 15 1 1 A 97 97 SER H H 94 8.490 8.944 -0.454 1
1 1143 . 15 1 1 A 97 97 SER HA H 94 4.204 4.355 -0.151 1
1 1146 . 15 1 1 A 97 97 SER C C 94 175.549 175.055 0.494 1
1 1147 . 15 1 1 A 97 97 SER CA C 94 60.047 60.264 -0.217 1
1 1148 . 15 1 1 A 97 97 SER CB C 94 63.408 62.936 0.472 1
1 1149 . 15 1 1 A 97 97 SER N N 94 118.740 121.250 -2.510 1
1 1150 . 15 1 1 A 98 98 ASP H H 95 8.229 7.984 0.245 1
1 1151 . 15 1 1 A 98 98 ASP HA H 95 4.684 4.691 -0.007 1
1 1154 . 15 1 1 A 98 98 ASP C C 95 175.547 175.884 -0.337 1
1 1155 . 15 1 1 A 98 98 ASP CA C 95 54.380 54.531 -0.151 1
1 1156 . 15 1 1 A 98 98 ASP CB C 95 42.267 41.229 1.038 1
1 1157 . 15 1 1 A 98 98 ASP N N 95 121.306 119.523 1.783 1
1 1158 . 15 1 1 A 99 99 LEU H H 96 6.613 7.014 -0.401 1
1 1159 . 15 1 1 A 99 99 LEU HA H 96 4.801 5.100 -0.299 1
1 1169 . 15 1 1 A 99 99 LEU C C 96 176.224 176.533 -0.309 1
1 1170 . 15 1 1 A 99 99 LEU CA C 96 55.691 53.771 1.920 1
1 1171 . 15 1 1 A 99 99 LEU CB C 96 42.272 43.683 -1.411 1
1 1175 . 15 1 1 A 99 99 LEU N N 96 117.774 117.640 0.134 1
1 1176 . 15 1 1 A 100 100 TRP H H 97 9.750 9.487 0.263 1
1 1177 . 15 1 1 A 100 100 TRP HA H 97 4.757 5.559 -0.802 1
1 1186 . 15 1 1 A 100 100 TRP C C 97 176.737 175.781 0.956 1
1 1187 . 15 1 1 A 100 100 TRP CA C 97 55.634 55.795 -0.161 1
1 1188 . 15 1 1 A 100 100 TRP CB C 97 31.794 32.259 -0.465 1
1 1194 . 15 1 1 A 100 100 TRP N N 97 120.649 120.193 0.456 1
1 1196 . 15 1 1 A 101 101 VAL H H 98 9.096 8.821 0.275 1
1 1197 . 15 1 1 A 101 101 VAL HA H 98 5.018 5.570 -0.552 1
1 1205 . 15 1 1 A 101 101 VAL C C 98 175.816 174.877 0.939 1
1 1206 . 15 1 1 A 101 101 VAL CA C 98 61.998 61.344 0.654 1
1 1207 . 15 1 1 A 101 101 VAL CB C 98 34.180 34.427 -0.247 1
1 1210 . 15 1 1 A 101 101 VAL N N 98 117.960 121.072 -3.112 1
1 1211 . 15 1 1 A 102 102 VAL H H 99 9.113 9.091 0.022 1
1 1212 . 15 1 1 A 102 102 VAL HA H 99 4.546 4.705 -0.159 1
1 1220 . 15 1 1 A 102 102 VAL C C 99 173.388 174.840 -1.452 1
1 1221 . 15 1 1 A 102 102 VAL CA C 99 60.987 61.152 -0.165 1
1 1222 . 15 1 1 A 102 102 VAL CB C 99 34.654 34.567 0.087 1
1 1225 . 15 1 1 A 102 102 VAL N N 99 129.775 127.814 1.961 1
1 1226 . 15 1 1 A 103 103 GLU H H 100 9.226 8.817 0.409 1
1 1227 . 15 1 1 A 103 103 GLU HA H 100 5.376 4.648 0.728 1
1 1232 . 15 1 1 A 103 103 GLU C C 100 175.058 176.288 -1.230 1
1 1233 . 15 1 1 A 103 103 GLU CA C 100 54.158 56.024 -1.866 1
1 1234 . 15 1 1 A 103 103 GLU CB C 100 31.835 30.003 1.832 1
1 1236 . 15 1 1 A 103 103 GLU N N 100 128.249 126.903 1.346 1
1 1237 . 15 1 1 A 104 104 ILE H H 101 9.141 8.862 0.279 1
1 1238 . 15 1 1 A 104 104 ILE HA H 101 5.021 5.201 -0.180 1
1 1248 . 15 1 1 A 104 104 ILE C C 101 173.727 174.295 -0.568 1
1 1249 . 15 1 1 A 104 104 ILE CA C 101 59.226 59.260 -0.034 1
1 1250 . 15 1 1 A 104 104 ILE CB C 101 42.192 40.461 1.731 1
1 1254 . 15 1 1 A 104 104 ILE N N 101 118.638 121.143 -2.505 1
1 1255 . 15 1 1 A 105 105 GLU H H 102 9.018 9.137 -0.119 1
1 1256 . 15 1 1 A 105 105 GLU HA H 102 4.800 5.264 -0.464 1
1 1261 . 15 1 1 A 105 105 GLU C C 102 174.832 175.188 -0.356 1
1 1262 . 15 1 1 A 105 105 GLU CA C 102 55.362 55.133 0.229 1
1 1263 . 15 1 1 A 105 105 GLU CB C 102 31.160 32.011 -0.851 1
1 1265 . 15 1 1 A 105 105 GLU N N 102 125.842 123.939 1.903 1
1 1266 . 15 1 1 A 106 106 THR H H 103 7.678 8.228 -0.550 1
1 1267 . 15 1 1 A 106 106 THR HA H 103 4.424 4.849 -0.425 1
1 1272 . 15 1 1 A 106 106 THR C C 103 172.175 173.611 -1.436 1
1 1273 . 15 1 1 A 106 106 THR CA C 103 60.772 60.483 0.289 1
1 1274 . 15 1 1 A 106 106 THR CB C 103 67.599 69.930 -2.331 1
1 1276 . 15 1 1 A 106 106 THR N N 103 118.569 120.082 -1.513 1
1 1277 . 15 1 1 A 107 107 ASP H H 104 8.400 9.044 -0.644 1
1 1278 . 15 1 1 A 107 107 ASP HA H 104 4.635 4.541 0.094 1
1 1281 . 15 1 1 A 107 107 ASP C C 104 176.214 176.193 0.021 1
1 1282 . 15 1 1 A 107 107 ASP CA C 104 55.771 56.470 -0.699 1
1 1283 . 15 1 1 A 107 107 ASP CB C 104 41.463 41.253 0.210 1
1 1284 . 15 1 1 A 107 107 ASP N N 104 125.388 124.410 0.978 1
1 1285 . 15 1 1 A 108 108 GLU H H 105 7.995 7.759 0.236 1
1 1286 . 15 1 1 A 108 108 GLU HA H 105 4.524 4.825 -0.301 1
1 1291 . 15 1 1 A 108 108 GLU C C 105 175.340 176.005 -0.665 1
1 1292 . 15 1 1 A 108 108 GLU CA C 105 54.564 55.282 -0.718 1
1 1293 . 15 1 1 A 108 108 GLU CB C 105 30.953 31.956 -1.003 1
1 1295 . 15 1 1 A 108 108 GLU N N 105 120.222 113.986 6.236 1
1 1296 . 15 1 1 A 109 109 ILE H H 106 8.389 8.722 -0.333 1
1 1297 . 15 1 1 A 109 109 ILE HA H 106 3.853 4.180 -0.327 1
1 1307 . 15 1 1 A 109 109 ILE C C 106 176.324 177.991 -1.667 1
1 1308 . 15 1 1 A 109 109 ILE CA C 106 60.148 63.021 -2.873 1
1 1309 . 15 1 1 A 109 109 ILE CB C 106 38.950 39.361 -0.411 1
1 1313 . 15 1 1 A 109 109 ILE N N 106 124.088 123.001 1.087 1
1 1314 . 15 1 1 A 110 110 GLY H H 107 8.534 8.579 -0.045 1
1 1315 . 15 1 1 A 110 110 GLY HA2 H 107 3.744 3.649 0.095 1
1 1316 . 15 1 1 A 110 110 GLY HA3 H 107 3.705 3.675 0.030 1
1 1317 . 15 1 1 A 110 110 GLY C C 107 175.021 176.064 -1.043 1
1 1318 . 15 1 1 A 110 110 GLY CA C 107 46.530 47.580 -1.050 1
1 1319 . 15 1 1 A 110 110 GLY N N 107 109.224 109.329 -0.105 1
1 1320 . 15 1 1 A 111 111 THR H H 108 7.892 7.990 -0.098 1
1 1321 . 15 1 1 A 111 111 THR HA H 108 4.255 4.079 0.176 1
1 1326 . 15 1 1 A 111 111 THR C C 108 175.417 175.198 0.219 1
1 1327 . 15 1 1 A 111 111 THR CA C 108 61.287 64.863 -3.576 1
1 1328 . 15 1 1 A 111 111 THR CB C 108 68.657 68.797 -0.140 1
1 1330 . 15 1 1 A 111 111 THR N N 108 111.278 116.649 -5.371 1
1 1331 . 15 1 1 A 112 112 LEU H H 109 7.950 7.350 0.600 1
1 1332 . 15 1 1 A 112 112 LEU HA H 109 3.887 4.616 -0.729 1
1 1342 . 15 1 1 A 112 112 LEU C C 109 175.715 175.939 -0.224 1
1 1343 . 15 1 1 A 112 112 LEU CA C 109 56.661 54.099 2.562 1
1 1344 . 15 1 1 A 112 112 LEU CB C 109 43.310 43.273 0.037 1
1 1348 . 15 1 1 A 112 112 LEU N N 109 122.017 114.347 7.670 1
1 1349 . 15 1 1 A 113 113 LEU H H 110 7.003 7.230 -0.227 1
1 1350 . 15 1 1 A 113 113 LEU HA H 110 4.327 4.612 -0.285 1
1 1360 . 15 1 1 A 113 113 LEU C C 110 175.563 173.729 1.834 1
1 1361 . 15 1 1 A 113 113 LEU CA C 110 52.377 54.388 -2.011 1
1 1362 . 15 1 1 A 113 113 LEU CB C 110 44.890 45.374 -0.484 1
1 1366 . 15 1 1 A 113 113 LEU N N 110 113.184 120.112 -6.928 1
1 1367 . 15 1 1 A 114 114 THR H H 111 9.101 8.584 0.517 1
1 1368 . 15 1 1 A 114 114 THR HA H 111 4.079 4.953 -0.874 1
1 1373 . 15 1 1 A 114 114 THR C C 111 173.117 173.956 -0.839 1
1 1374 . 15 1 1 A 114 114 THR CA C 111 62.838 62.083 0.755 1
1 1375 . 15 1 1 A 114 114 THR CB C 111 68.245 69.838 -1.593 1
1 1377 . 15 1 1 A 114 114 THR N N 111 119.602 122.119 -2.517 1
1 1378 . 15 1 1 A 115 115 LEU H H 112 8.461 8.818 -0.357 1
1 1379 . 15 1 1 A 115 115 LEU HA H 112 4.985 5.289 -0.304 1
1 1389 . 15 1 1 A 115 115 LEU C C 112 178.488 176.926 1.562 1
1 1390 . 15 1 1 A 115 115 LEU CA C 112 52.953 53.520 -0.567 1
1 1391 . 15 1 1 A 115 115 LEU CB C 112 43.316 45.268 -1.952 1
1 1395 . 15 1 1 A 115 115 LEU N N 112 129.372 127.489 1.883 1
1 1396 . 15 1 1 A 116 116 VAL H H 113 8.550 8.864 -0.314 1
1 1397 . 15 1 1 A 116 116 VAL HA H 113 4.141 3.966 0.175 1
1 1405 . 15 1 1 A 116 116 VAL C C 113 175.638 177.241 -1.603 1
1 1406 . 15 1 1 A 116 116 VAL CA C 113 61.559 64.564 -3.005 1
1 1407 . 15 1 1 A 116 116 VAL CB C 113 32.128 31.922 0.206 1
1 1410 . 15 1 1 A 116 116 VAL N N 113 117.300 120.959 -3.659 1
1 1411 . 15 1 1 A 117 117 ASP H H 114 8.095 7.875 0.220 1
1 1412 . 15 1 1 A 117 117 ASP HA H 114 4.561 4.447 0.114 1
1 1415 . 15 1 1 A 117 117 ASP C C 114 175.610 176.538 -0.928 1
1 1416 . 15 1 1 A 117 117 ASP CA C 114 53.586 57.187 -3.601 1
1 1417 . 15 1 1 A 117 117 ASP CB C 114 41.131 41.502 -0.371 1
1 1418 . 15 1 1 A 117 117 ASP N N 114 121.410 121.099 0.311 1
1 1419 . 15 1 1 A 118 118 GLN H H 115 8.048 7.705 0.343 1
1 1420 . 15 1 1 A 118 118 GLN HA H 115 4.539 4.529 0.010 1
1 1427 . 15 1 1 A 118 118 GLN CA C 115 53.464 54.117 -0.653 1
1 1428 . 15 1 1 A 118 118 GLN CB C 115 29.143 28.428 0.715 1
1 1430 . 15 1 1 A 118 118 GLN N N 115 120.387 118.714 1.673 1
1 1432 . 15 1 1 A 119 119 PRO HA H 116 4.314 4.457 -0.143 1
1 1439 . 15 1 1 A 119 119 PRO C C 116 176.819 176.892 -0.073 1
1 1440 . 15 1 1 A 119 119 PRO CA C 116 63.073 63.192 -0.119 1
1 1441 . 15 1 1 A 119 119 PRO CB C 116 32.117 32.003 0.114 1
1 1444 . 15 1 1 A 120 120 GLN H H 117 8.404 8.585 -0.181 1
1 1445 . 15 1 1 A 120 120 GLN HA H 117 4.172 4.195 -0.023 1
1 1452 . 15 1 1 A 120 120 GLN C C 117 174.745 176.298 -1.553 1
1 1453 . 15 1 1 A 120 120 GLN CA C 117 55.531 56.607 -1.076 1
1 1454 . 15 1 1 A 120 120 GLN CB C 117 29.529 28.622 0.907 1
1 1456 . 15 1 1 A 120 120 GLN N N 117 121.403 122.202 -0.799 1
1 14 . 16 1 1 A 5 5 ARG H H 2 8.281 7.969 0.312 1
1 15 . 16 1 1 A 5 5 ARG HA H 2 4.126 3.898 0.228 1
1 22 . 16 1 1 A 5 5 ARG C C 2 176.387 174.938 1.449 1
1 23 . 16 1 1 A 5 5 ARG CA C 2 56.556 56.826 -0.270 1
1 24 . 16 1 1 A 5 5 ARG CB C 2 30.698 28.249 2.449 1
1 27 . 16 1 1 A 5 5 ARG N N 2 123.269 116.297 6.972 1
1 28 . 16 1 1 A 6 6 LEU H H 3 8.527 7.541 0.986 1
1 29 . 16 1 1 A 6 6 LEU HA H 3 4.414 4.845 -0.431 1
1 39 . 16 1 1 A 6 6 LEU C C 3 178.040 177.076 0.964 1
1 40 . 16 1 1 A 6 6 LEU CA C 3 54.270 53.414 0.856 1
1 41 . 16 1 1 A 6 6 LEU CB C 3 43.612 43.449 0.163 1
1 45 . 16 1 1 A 6 6 LEU N N 3 125.588 120.084 5.504 1
1 46 . 16 1 1 A 7 7 LYS H H 4 8.646 8.451 0.195 1
1 47 . 16 1 1 A 7 7 LYS HA H 4 4.524 4.610 -0.086 1
1 56 . 16 1 1 A 7 7 LYS C C 4 178.029 177.528 0.501 1
1 57 . 16 1 1 A 7 7 LYS CA C 4 57.051 54.857 2.194 1
1 58 . 16 1 1 A 7 7 LYS CB C 4 32.877 32.950 -0.073 1
1 62 . 16 1 1 A 7 7 LYS N N 4 123.765 121.903 1.862 1
1 63 . 16 1 1 A 8 8 SER H H 5 8.316 8.636 -0.320 1
1 64 . 16 1 1 A 8 8 SER HA H 5 3.720 3.827 -0.107 1
1 67 . 16 1 1 A 8 8 SER C C 5 174.858 176.069 -1.211 1
1 68 . 16 1 1 A 8 8 SER CA C 5 63.553 61.814 1.739 1
1 69 . 16 1 1 A 8 8 SER CB C 5 62.382 62.503 -0.121 1
1 70 . 16 1 1 A 8 8 SER N N 5 122.163 114.411 7.752 1
1 71 . 16 1 1 A 9 9 GLU H H 6 8.913 8.207 0.706 1
1 72 . 16 1 1 A 9 9 GLU HA H 6 3.401 3.337 0.064 1
1 77 . 16 1 1 A 9 9 GLU C C 6 177.494 178.723 -1.229 1
1 78 . 16 1 1 A 9 9 GLU CA C 6 59.824 58.811 1.013 1
1 79 . 16 1 1 A 9 9 GLU CB C 6 29.780 29.173 0.607 1
1 81 . 16 1 1 A 9 9 GLU N N 6 118.372 121.609 -3.237 1
1 82 . 16 1 1 A 10 10 MET H H 7 6.642 8.020 -1.378 1
1 83 . 16 1 1 A 10 10 MET HA H 7 4.200 4.191 0.009 1
1 91 . 16 1 1 A 10 10 MET C C 7 178.173 178.101 0.072 1
1 92 . 16 1 1 A 10 10 MET CA C 7 57.360 58.314 -0.954 1
1 93 . 16 1 1 A 10 10 MET CB C 7 32.761 32.240 0.521 1
1 96 . 16 1 1 A 10 10 MET N N 7 117.318 119.084 -1.766 1
1 97 . 16 1 1 A 11 11 PHE H H 8 8.432 7.805 0.627 1
1 98 . 16 1 1 A 11 11 PHE HA H 8 3.718 4.141 -0.423 1
1 105 . 16 1 1 A 11 11 PHE C C 8 177.603 176.924 0.679 1
1 106 . 16 1 1 A 11 11 PHE CA C 8 61.845 61.129 0.716 1
1 107 . 16 1 1 A 11 11 PHE CB C 8 38.595 38.973 -0.378 1
1 112 . 16 1 1 A 11 11 PHE N N 8 122.099 120.802 1.297 1
1 113 . 16 1 1 A 12 12 VAL H H 9 8.133 7.837 0.296 1
1 114 . 16 1 1 A 12 12 VAL HA H 9 3.021 3.538 -0.517 1
1 122 . 16 1 1 A 12 12 VAL C C 9 176.668 177.635 -0.967 1
1 123 . 16 1 1 A 12 12 VAL CA C 9 67.353 66.272 1.081 1
1 124 . 16 1 1 A 12 12 VAL CB C 9 31.238 31.470 -0.232 1
1 127 . 16 1 1 A 12 12 VAL N N 9 119.317 119.747 -0.430 1
1 128 . 16 1 1 A 13 13 SER H H 10 7.750 8.085 -0.335 1
1 129 . 16 1 1 A 13 13 SER HA H 10 3.905 4.104 -0.199 1
1 132 . 16 1 1 A 13 13 SER C C 10 176.947 176.460 0.487 1
1 133 . 16 1 1 A 13 13 SER CA C 10 61.775 62.029 -0.254 1
1 134 . 16 1 1 A 13 13 SER CB C 10 62.483 62.912 -0.429 1
1 135 . 16 1 1 A 13 13 SER N N 10 114.115 116.014 -1.899 1
1 136 . 16 1 1 A 14 14 ALA H H 11 7.776 7.338 0.438 1
1 137 . 16 1 1 A 14 14 ALA HA H 11 3.860 4.036 -0.176 1
1 141 . 16 1 1 A 14 14 ALA C C 11 179.154 179.994 -0.840 1
1 142 . 16 1 1 A 14 14 ALA CA C 11 54.811 54.761 0.050 1
1 143 . 16 1 1 A 14 14 ALA CB C 11 17.641 18.103 -0.462 1
1 144 . 16 1 1 A 14 14 ALA N N 11 123.170 123.239 -0.069 1
1 145 . 16 1 1 A 15 15 LEU H H 12 7.732 7.906 -0.174 1
1 146 . 16 1 1 A 15 15 LEU HA H 12 3.636 3.834 -0.198 1
1 156 . 16 1 1 A 15 15 LEU C C 12 177.617 178.692 -1.075 1
1 157 . 16 1 1 A 15 15 LEU CA C 12 57.790 57.872 -0.082 1
1 158 . 16 1 1 A 15 15 LEU CB C 12 41.352 41.305 0.047 1
1 162 . 16 1 1 A 15 15 LEU N N 12 121.171 119.440 1.731 1
1 163 . 16 1 1 A 16 16 ILE H H 13 8.037 7.979 0.058 1
1 164 . 16 1 1 A 16 16 ILE HA H 13 3.061 3.504 -0.443 1
1 174 . 16 1 1 A 16 16 ILE C C 13 177.708 178.070 -0.362 1
1 175 . 16 1 1 A 16 16 ILE CA C 13 65.872 65.632 0.240 1
1 176 . 16 1 1 A 16 16 ILE CB C 13 37.704 37.932 -0.228 1
1 180 . 16 1 1 A 16 16 ILE N N 13 117.849 120.299 -2.450 1
1 181 . 16 1 1 A 17 17 ARG H H 14 7.537 8.135 -0.598 1
1 182 . 16 1 1 A 17 17 ARG HA H 14 3.980 4.192 -0.212 1
1 189 . 16 1 1 A 17 17 ARG C C 14 179.876 179.114 0.762 1
1 190 . 16 1 1 A 17 17 ARG CA C 14 59.920 59.138 0.782 1
1 191 . 16 1 1 A 17 17 ARG CB C 14 29.995 29.638 0.357 1
1 194 . 16 1 1 A 17 17 ARG N N 14 117.366 119.739 -2.373 1
1 195 . 16 1 1 A 18 18 ARG H H 15 8.068 7.822 0.246 1
1 196 . 16 1 1 A 18 18 ARG HA H 15 3.868 4.029 -0.161 1
1 203 . 16 1 1 A 18 18 ARG C C 15 176.630 178.828 -2.198 1
1 204 . 16 1 1 A 18 18 ARG CA C 15 59.606 59.252 0.354 1
1 205 . 16 1 1 A 18 18 ARG CB C 15 30.327 29.810 0.517 1
1 208 . 16 1 1 A 18 18 ARG N N 15 119.713 119.418 0.295 1
1 209 . 16 1 1 A 19 19 VAL H H 16 8.259 7.336 0.923 1
1 210 . 16 1 1 A 19 19 VAL HA H 16 3.296 3.748 -0.452 1
1 218 . 16 1 1 A 19 19 VAL C C 16 177.306 177.956 -0.650 1
1 219 . 16 1 1 A 19 19 VAL CA C 16 66.667 65.290 1.377 1
1 220 . 16 1 1 A 19 19 VAL CB C 16 30.421 31.333 -0.912 1
1 223 . 16 1 1 A 19 19 VAL N N 16 121.385 116.242 5.143 1
1 224 . 16 1 1 A 20 20 PHE H H 17 8.014 7.702 0.312 1
1 225 . 16 1 1 A 20 20 PHE HA H 17 4.222 4.159 0.063 1
1 233 . 16 1 1 A 20 20 PHE C C 17 180.973 177.900 3.073 1
1 234 . 16 1 1 A 20 20 PHE CA C 17 61.988 61.425 0.563 1
1 235 . 16 1 1 A 20 20 PHE CB C 17 38.553 37.701 0.852 1
1 241 . 16 1 1 A 20 20 PHE N N 17 118.811 120.891 -2.080 1
1 242 . 16 1 1 A 21 21 ALA H H 18 8.192 8.184 0.008 1
1 243 . 16 1 1 A 21 21 ALA HA H 18 4.096 4.130 -0.034 1
1 247 . 16 1 1 A 21 21 ALA C C 18 178.425 179.509 -1.084 1
1 248 . 16 1 1 A 21 21 ALA CA C 18 54.716 54.701 0.015 1
1 249 . 16 1 1 A 21 21 ALA CB C 18 17.752 17.929 -0.177 1
1 250 . 16 1 1 A 21 21 ALA N N 18 122.995 121.831 1.164 1
1 251 . 16 1 1 A 22 22 ALA H H 19 7.256 7.142 0.114 1
1 252 . 16 1 1 A 22 22 ALA HA H 19 4.356 4.360 -0.004 1
1 256 . 16 1 1 A 22 22 ALA C C 19 177.665 177.513 0.152 1
1 257 . 16 1 1 A 22 22 ALA CA C 19 51.629 52.221 -0.592 1
1 258 . 16 1 1 A 22 22 ALA CB C 19 18.554 19.621 -1.067 1
1 259 . 16 1 1 A 22 22 ALA N N 19 118.872 117.745 1.127 1
1 260 . 16 1 1 A 23 23 GLY H H 20 7.774 7.876 -0.102 1
1 261 . 16 1 1 A 23 23 GLY HA2 H 20 4.207 3.957 0.250 1
1 262 . 16 1 1 A 23 23 GLY HA3 H 20 3.762 3.990 -0.228 1
1 263 . 16 1 1 A 23 23 GLY C C 20 174.779 174.736 0.043 1
1 264 . 16 1 1 A 23 23 GLY CA C 20 45.347 45.106 0.241 1
1 265 . 16 1 1 A 23 23 GLY N N 20 106.718 106.878 -0.160 1
1 266 . 16 1 1 A 24 24 GLY H H 21 7.795 7.843 -0.048 1
1 267 . 16 1 1 A 24 24 GLY HA2 H 21 4.538 3.931 0.607 1
1 268 . 16 1 1 A 24 24 GLY HA3 H 21 3.306 3.992 -0.686 1
1 269 . 16 1 1 A 24 24 GLY C C 21 171.187 172.266 -1.079 1
1 270 . 16 1 1 A 24 24 GLY CA C 21 43.665 43.951 -0.286 1
1 271 . 16 1 1 A 24 24 GLY N N 21 108.369 108.309 0.060 1
1 272 . 16 1 1 A 25 25 PHE H H 22 7.340 8.366 -1.026 1
1 273 . 16 1 1 A 25 25 PHE HA H 22 3.784 4.522 -0.738 1
1 280 . 16 1 1 A 25 25 PHE C C 22 172.423 173.057 -0.634 1
1 281 . 16 1 1 A 25 25 PHE CA C 22 56.434 56.098 0.336 1
1 282 . 16 1 1 A 25 25 PHE CB C 22 42.819 42.909 -0.090 1
1 287 . 16 1 1 A 25 25 PHE N N 22 117.754 119.886 -2.132 1
1 288 . 16 1 1 A 26 26 ALA H H 23 5.579 7.581 -2.002 1
1 289 . 16 1 1 A 26 26 ALA HA H 23 4.943 5.142 -0.199 1
1 293 . 16 1 1 A 26 26 ALA C C 23 173.842 175.244 -1.402 1
1 294 . 16 1 1 A 26 26 ALA CA C 23 50.257 51.028 -0.771 1
1 295 . 16 1 1 A 26 26 ALA CB C 23 25.150 23.468 1.682 1
1 296 . 16 1 1 A 26 26 ALA N N 23 126.477 126.551 -0.074 1
1 297 . 16 1 1 A 27 27 ALA H H 24 8.723 8.189 0.534 1
1 298 . 16 1 1 A 27 27 ALA HA H 24 4.330 4.825 -0.495 1
1 302 . 16 1 1 A 27 27 ALA C C 24 175.543 176.053 -0.510 1
1 303 . 16 1 1 A 27 27 ALA CA C 24 51.545 51.912 -0.367 1
1 304 . 16 1 1 A 27 27 ALA CB C 24 22.974 22.917 0.057 1
1 305 . 16 1 1 A 27 27 ALA N N 24 118.178 119.974 -1.796 1
1 306 . 16 1 1 A 28 28 VAL H H 25 8.841 8.940 -0.099 1
1 307 . 16 1 1 A 28 28 VAL HA H 25 3.972 4.098 -0.126 1
1 315 . 16 1 1 A 28 28 VAL C C 25 175.547 175.410 0.137 1
1 316 . 16 1 1 A 28 28 VAL CA C 25 64.153 63.402 0.751 1
1 317 . 16 1 1 A 28 28 VAL CB C 25 31.951 30.907 1.044 1
1 320 . 16 1 1 A 28 28 VAL N N 25 120.857 123.875 -3.018 1
1 321 . 16 1 1 A 29 29 GLU H H 26 8.595 8.794 -0.199 1
1 322 . 16 1 1 A 29 29 GLU HA H 26 4.275 4.295 -0.020 1
1 327 . 16 1 1 A 29 29 GLU C C 26 176.177 176.149 0.028 1
1 328 . 16 1 1 A 29 29 GLU CA C 26 57.686 58.827 -1.141 1
1 329 . 16 1 1 A 29 29 GLU CB C 26 30.521 30.683 -0.162 1
1 331 . 16 1 1 A 29 29 GLU N N 26 132.091 128.154 3.937 1
1 332 . 16 1 1 A 30 30 LYS H H 27 8.163 7.794 0.369 1
1 333 . 16 1 1 A 30 30 LYS HA H 27 4.352 4.877 -0.525 1
1 342 . 16 1 1 A 30 30 LYS C C 27 174.232 174.330 -0.098 1
1 343 . 16 1 1 A 30 30 LYS CA C 27 55.370 54.683 0.687 1
1 344 . 16 1 1 A 30 30 LYS CB C 27 36.138 35.867 0.271 1
1 348 . 16 1 1 A 30 30 LYS N N 27 119.899 119.171 0.728 1
1 349 . 16 1 1 A 31 31 LYS H H 28 8.603 8.626 -0.023 1
1 350 . 16 1 1 A 31 31 LYS HA H 28 3.268 4.200 -0.932 1
1 359 . 16 1 1 A 31 31 LYS C C 28 175.170 174.946 0.224 1
1 360 . 16 1 1 A 31 31 LYS CA C 28 56.089 54.161 1.928 1
1 361 . 16 1 1 A 31 31 LYS CB C 28 32.386 35.397 -3.011 1
1 365 . 16 1 1 A 31 31 LYS N N 28 129.067 126.114 2.953 1
1 366 . 16 1 1 A 32 32 GLY H H 29 3.335 7.129 -3.794 1
1 367 . 16 1 1 A 32 32 GLY HA2 H 29 3.652 3.927 -0.275 1
1 368 . 16 1 1 A 32 32 GLY HA3 H 29 2.313 3.994 -1.681 1
1 369 . 16 1 1 A 32 32 GLY C C 29 172.863 173.243 -0.380 1
1 370 . 16 1 1 A 32 32 GLY CA C 29 43.344 44.281 -0.937 1
1 371 . 16 1 1 A 32 32 GLY N N 29 113.639 112.524 1.115 1
1 372 . 16 1 1 A 33 33 ALA H H 30 8.202 8.307 -0.105 1
1 373 . 16 1 1 A 33 33 ALA HA H 30 4.173 4.618 -0.445 1
1 377 . 16 1 1 A 33 33 ALA C C 30 181.026 178.508 2.518 1
1 378 . 16 1 1 A 33 33 ALA CA C 30 52.674 51.496 1.178 1
1 379 . 16 1 1 A 33 33 ALA CB C 30 19.020 19.936 -0.916 1
1 380 . 16 1 1 A 33 33 ALA N N 30 121.182 125.577 -4.395 1
1 381 . 16 1 1 A 34 34 GLU H H 31 9.313 9.181 0.132 1
1 382 . 16 1 1 A 34 34 GLU HA H 31 4.130 4.278 -0.148 1
1 387 . 16 1 1 A 34 34 GLU C C 31 177.137 178.730 -1.593 1
1 388 . 16 1 1 A 34 34 GLU CA C 31 61.214 59.479 1.735 1
1 389 . 16 1 1 A 34 34 GLU CB C 31 29.947 29.673 0.274 1
1 391 . 16 1 1 A 34 34 GLU N N 31 126.206 125.369 0.837 1
1 392 . 16 1 1 A 35 35 ALA H H 32 8.614 8.146 0.468 1
1 393 . 16 1 1 A 35 35 ALA HA H 32 4.377 4.250 0.127 1
1 397 . 16 1 1 A 35 35 ALA C C 32 180.260 179.311 0.949 1
1 398 . 16 1 1 A 35 35 ALA CA C 32 55.118 54.678 0.440 1
1 399 . 16 1 1 A 35 35 ALA CB C 32 18.192 19.478 -1.286 1
1 400 . 16 1 1 A 35 35 ALA N N 32 119.251 121.768 -2.517 1
1 401 . 16 1 1 A 36 36 ALA H H 33 8.467 7.682 0.785 1
1 402 . 16 1 1 A 36 36 ALA HA H 33 4.612 4.365 0.247 1
1 406 . 16 1 1 A 36 36 ALA C C 33 177.468 178.003 -0.535 1
1 407 . 16 1 1 A 36 36 ALA CA C 33 51.190 52.047 -0.857 1
1 408 . 16 1 1 A 36 36 ALA CB C 33 19.451 19.504 -0.053 1
1 409 . 16 1 1 A 36 36 ALA N N 33 120.927 119.898 1.029 1
1 410 . 16 1 1 A 37 37 GLY H H 34 7.445 7.966 -0.521 1
1 411 . 16 1 1 A 37 37 GLY HA2 H 34 4.143 4.174 -0.031 1
1 412 . 16 1 1 A 37 37 GLY HA3 H 34 4.010 4.257 -0.247 1
1 413 . 16 1 1 A 37 37 GLY C C 34 174.885 172.920 1.965 1
1 414 . 16 1 1 A 37 37 GLY CA C 34 46.790 44.744 2.046 1
1 415 . 16 1 1 A 37 37 GLY N N 34 105.715 106.799 -1.084 1
1 416 . 16 1 1 A 38 38 ALA H H 35 9.722 8.642 1.080 1
1 417 . 16 1 1 A 38 38 ALA HA H 35 4.053 5.105 -1.052 1
1 421 . 16 1 1 A 38 38 ALA CA C 35 52.676 50.362 2.314 1
1 422 . 16 1 1 A 38 38 ALA CB C 35 20.069 22.749 -2.680 1
1 423 . 16 1 1 A 38 38 ALA N N 35 131.782 121.294 10.488 1
1 424 . 16 1 1 A 39 39 ILE H H 36 7.776 8.608 -0.832 1
1 425 . 16 1 1 A 39 39 ILE HA H 36 4.533 4.936 -0.403 1
1 435 . 16 1 1 A 39 39 ILE C C 36 172.754 174.547 -1.793 1
1 436 . 16 1 1 A 39 39 ILE CA C 36 61.429 60.666 0.763 1
1 437 . 16 1 1 A 39 39 ILE CB C 36 40.275 40.610 -0.335 1
1 441 . 16 1 1 A 39 39 ILE N N 36 119.692 120.131 -0.439 1
1 442 . 16 1 1 A 40 40 PHE H H 37 8.513 9.343 -0.830 1
1 443 . 16 1 1 A 40 40 PHE HA H 37 5.242 5.843 -0.601 1
1 448 . 16 1 1 A 40 40 PHE C C 37 175.559 174.407 1.152 1
1 449 . 16 1 1 A 40 40 PHE CA C 37 56.375 56.767 -0.392 1
1 450 . 16 1 1 A 40 40 PHE CB C 37 41.794 40.650 1.144 1
1 453 . 16 1 1 A 40 40 PHE N N 37 123.003 125.801 -2.798 1
1 454 . 16 1 1 A 41 41 VAL H H 38 8.898 9.102 -0.204 1
1 455 . 16 1 1 A 41 41 VAL HA H 38 4.981 4.895 0.086 1
1 463 . 16 1 1 A 41 41 VAL C C 38 174.233 175.263 -1.030 1
1 464 . 16 1 1 A 41 41 VAL CA C 38 60.287 61.405 -1.118 1
1 465 . 16 1 1 A 41 41 VAL CB C 38 35.122 34.038 1.084 1
1 468 . 16 1 1 A 41 41 VAL N N 38 120.239 123.427 -3.188 1
1 469 . 16 1 1 A 42 42 ARG H H 39 9.399 9.359 0.040 1
1 470 . 16 1 1 A 42 42 ARG HA H 39 5.094 5.396 -0.302 1
1 478 . 16 1 1 A 42 42 ARG C C 39 173.198 174.608 -1.410 1
1 479 . 16 1 1 A 42 42 ARG CA C 39 54.067 54.764 -0.697 1
1 480 . 16 1 1 A 42 42 ARG CB C 39 33.430 32.379 1.051 1
1 483 . 16 1 1 A 42 42 ARG N N 39 129.107 124.255 4.852 1
1 485 . 16 1 1 A 43 43 GLN H H 40 9.402 9.053 0.349 1
1 486 . 16 1 1 A 43 43 GLN HA H 40 5.371 5.094 0.277 1
1 493 . 16 1 1 A 43 43 GLN C C 40 174.278 174.796 -0.518 1
1 494 . 16 1 1 A 43 43 GLN CA C 40 52.778 55.992 -3.214 1
1 495 . 16 1 1 A 43 43 GLN CB C 40 31.703 29.986 1.717 1
1 497 . 16 1 1 A 43 43 GLN N N 40 127.936 125.064 2.872 1
1 499 . 16 1 1 A 44 44 ARG H H 41 8.875 8.716 0.159 1
1 500 . 16 1 1 A 44 44 ARG HA H 41 4.488 5.118 -0.630 1
1 507 . 16 1 1 A 44 44 ARG C C 41 175.417 174.620 0.797 1
1 508 . 16 1 1 A 44 44 ARG CA C 41 56.319 54.378 1.941 1
1 509 . 16 1 1 A 44 44 ARG CB C 41 31.231 33.641 -2.410 1
1 512 . 16 1 1 A 44 44 ARG N N 41 127.617 126.488 1.129 1
1 513 . 16 1 1 A 45 45 LEU H H 42 8.494 9.003 -0.509 1
1 514 . 16 1 1 A 45 45 LEU HA H 42 4.480 4.766 -0.286 1
1 524 . 16 1 1 A 45 45 LEU C C 42 179.893 178.342 1.551 1
1 525 . 16 1 1 A 45 45 LEU CA C 42 53.972 53.788 0.184 1
1 526 . 16 1 1 A 45 45 LEU CB C 42 42.206 43.031 -0.825 1
1 530 . 16 1 1 A 45 45 LEU N N 42 125.380 127.267 -1.887 1
1 531 . 16 1 1 A 46 46 ARG H H 43 9.223 8.875 0.348 1
1 532 . 16 1 1 A 46 46 ARG HA H 43 3.929 4.074 -0.145 1
1 539 . 16 1 1 A 46 46 ARG C C 43 177.114 178.128 -1.014 1
1 540 . 16 1 1 A 46 46 ARG CA C 43 58.773 58.141 0.632 1
1 541 . 16 1 1 A 46 46 ARG CB C 43 29.688 29.792 -0.104 1
1 544 . 16 1 1 A 46 46 ARG N N 43 121.380 122.180 -0.800 1
1 545 . 16 1 1 A 47 47 ASP H H 44 7.727 7.791 -0.064 1
1 546 . 16 1 1 A 47 47 ASP HA H 44 4.373 4.694 -0.321 1
1 549 . 16 1 1 A 47 47 ASP C C 44 177.125 176.277 0.848 1
1 550 . 16 1 1 A 47 47 ASP CA C 44 53.256 54.202 -0.946 1
1 551 . 16 1 1 A 47 47 ASP CB C 44 39.993 41.356 -1.363 1
1 552 . 16 1 1 A 47 47 ASP N N 44 115.801 119.614 -3.813 1
1 553 . 16 1 1 A 48 48 GLY H H 45 7.878 7.878 0.000 1
1 554 . 16 1 1 A 48 48 GLY HA2 H 45 4.237 3.954 0.283 1
1 555 . 16 1 1 A 48 48 GLY HA3 H 45 3.531 3.956 -0.425 1
1 556 . 16 1 1 A 48 48 GLY C C 45 175.041 173.969 1.072 1
1 557 . 16 1 1 A 48 48 GLY CA C 45 45.289 45.574 -0.285 1
1 558 . 16 1 1 A 48 48 GLY N N 45 108.005 107.348 0.657 1
1 559 . 16 1 1 A 49 49 ARG H H 46 7.696 7.897 -0.201 1
1 560 . 16 1 1 A 49 49 ARG HA H 46 4.309 4.754 -0.445 1
1 567 . 16 1 1 A 49 49 ARG C C 46 174.199 174.837 -0.638 1
1 568 . 16 1 1 A 49 49 ARG CA C 46 55.909 54.571 1.338 1
1 569 . 16 1 1 A 49 49 ARG CB C 46 31.226 33.261 -2.035 1
1 572 . 16 1 1 A 49 49 ARG N N 46 120.601 119.347 1.254 1
1 573 . 16 1 1 A 50 50 GLU H H 47 8.885 8.650 0.235 1
1 574 . 16 1 1 A 50 50 GLU HA H 47 5.381 5.359 0.022 1
1 579 . 16 1 1 A 50 50 GLU C C 47 175.590 175.194 0.396 1
1 580 . 16 1 1 A 50 50 GLU CA C 47 55.057 54.882 0.175 1
1 581 . 16 1 1 A 50 50 GLU CB C 47 35.650 34.259 1.391 1
1 583 . 16 1 1 A 50 50 GLU N N 47 116.439 118.788 -2.349 1
1 584 . 16 1 1 A 51 51 ASN H H 48 8.683 8.760 -0.077 1
1 585 . 16 1 1 A 51 51 ASN HA H 48 5.153 5.451 -0.298 1
1 590 . 16 1 1 A 51 51 ASN C C 48 173.562 173.905 -0.343 1
1 591 . 16 1 1 A 51 51 ASN CA C 48 50.361 51.734 -1.373 1
1 592 . 16 1 1 A 51 51 ASN CB C 48 41.823 42.233 -0.410 1
1 593 . 16 1 1 A 51 51 ASN N N 48 114.752 119.054 -4.302 1
1 595 . 16 1 1 A 52 52 LEU H H 49 8.847 8.518 0.329 1
1 596 . 16 1 1 A 52 52 LEU HA H 49 5.274 5.023 0.251 1
1 606 . 16 1 1 A 52 52 LEU C C 49 174.213 173.386 0.827 1
1 607 . 16 1 1 A 52 52 LEU CA C 49 52.889 53.656 -0.767 1
1 608 . 16 1 1 A 52 52 LEU CB C 49 46.300 46.199 0.101 1
1 612 . 16 1 1 A 52 52 LEU N N 49 120.365 121.792 -1.427 1
1 613 . 16 1 1 A 53 53 TYR H H 50 9.641 8.931 0.710 1
1 614 . 16 1 1 A 53 53 TYR HA H 50 5.519 5.834 -0.315 1
1 621 . 16 1 1 A 53 53 TYR C C 50 175.473 175.336 0.137 1
1 622 . 16 1 1 A 53 53 TYR CA C 50 55.928 55.727 0.201 1
1 623 . 16 1 1 A 53 53 TYR CB C 50 40.076 42.609 -2.533 1
1 628 . 16 1 1 A 53 53 TYR N N 50 127.507 124.436 3.071 1
1 629 . 16 1 1 A 54 54 GLY H H 51 8.893 8.880 0.013 1
1 630 . 16 1 1 A 54 54 GLY HA2 H 51 4.687 3.670 1.017 1
1 631 . 16 1 1 A 54 54 GLY HA3 H 51 3.127 4.030 -0.903 1
1 632 . 16 1 1 A 54 54 GLY CA C 51 44.040 43.750 0.290 1
1 633 . 16 1 1 A 54 54 GLY N N 51 108.518 110.202 -1.684 1
1 634 . 16 1 1 A 55 55 PRO HA H 52 3.849 3.701 0.148 1
1 641 . 16 1 1 A 55 55 PRO C C 52 176.695 176.641 0.054 1
1 642 . 16 1 1 A 55 55 PRO CA C 52 63.187 61.877 1.310 1
1 643 . 16 1 1 A 55 55 PRO CB C 52 32.096 31.095 1.001 1
1 646 . 16 1 1 A 56 56 ALA H H 53 7.675 7.872 -0.197 1
1 647 . 16 1 1 A 56 56 ALA HA H 53 4.242 4.545 -0.303 1
1 651 . 16 1 1 A 56 56 ALA CA C 53 49.506 50.619 -1.113 1
1 652 . 16 1 1 A 56 56 ALA CB C 53 18.096 17.387 0.709 1
1 653 . 16 1 1 A 56 56 ALA N N 53 126.695 125.356 1.339 1
1 654 . 16 1 1 A 57 57 PRO HA H 54 4.186 4.595 -0.409 1
1 661 . 16 1 1 A 57 57 PRO C C 54 179.368 176.940 2.428 1
1 662 . 16 1 1 A 57 57 PRO CA C 54 63.116 62.591 0.525 1
1 663 . 16 1 1 A 57 57 PRO CB C 54 31.747 31.333 0.414 1
1 666 . 16 1 1 A 58 58 GLN H H 55 8.278 8.266 0.012 1
1 667 . 16 1 1 A 58 58 GLN HA H 55 4.083 4.308 -0.225 1
1 674 . 16 1 1 A 58 58 GLN C C 55 175.368 175.275 0.093 1
1 675 . 16 1 1 A 58 58 GLN CA C 55 55.635 55.893 -0.258 1
1 676 . 16 1 1 A 58 58 GLN CB C 55 29.927 28.954 0.973 1
1 678 . 16 1 1 A 58 58 GLN N N 55 121.313 119.060 2.253 1
1 680 . 16 1 1 A 59 59 SER H H 56 8.182 8.695 -0.513 1
1 681 . 16 1 1 A 59 59 SER HA H 56 4.246 4.545 -0.299 1
1 684 . 16 1 1 A 59 59 SER C C 56 174.075 174.060 0.015 1
1 685 . 16 1 1 A 59 59 SER CA C 56 57.667 57.646 0.021 1
1 686 . 16 1 1 A 59 59 SER CB C 56 63.751 62.428 1.323 1
1 687 . 16 1 1 A 59 59 SER N N 56 117.615 116.946 0.669 1
1 688 . 16 1 1 A 60 60 PHE H H 57 8.100 8.143 -0.043 1
1 689 . 16 1 1 A 60 60 PHE HA H 57 4.493 5.415 -0.922 1
1 696 . 16 1 1 A 60 60 PHE C C 57 175.439 174.369 1.070 1
1 697 . 16 1 1 A 60 60 PHE CA C 57 57.622 55.296 2.326 1
1 698 . 16 1 1 A 60 60 PHE CB C 57 39.519 41.217 -1.698 1
1 703 . 16 1 1 A 60 60 PHE N N 57 121.890 121.043 0.847 1
1 704 . 16 1 1 A 61 61 ALA H H 58 8.234 8.595 -0.361 1
1 705 . 16 1 1 A 61 61 ALA HA H 58 4.165 4.842 -0.677 1
1 709 . 16 1 1 A 61 61 ALA C C 58 179.286 177.448 1.838 1
1 710 . 16 1 1 A 61 61 ALA CA C 58 52.471 50.431 2.040 1
1 711 . 16 1 1 A 61 61 ALA CB C 58 19.444 20.660 -1.216 1
1 712 . 16 1 1 A 61 61 ALA N N 58 124.383 124.183 0.200 1
1 713 . 16 1 1 A 62 62 ASP H H 59 8.017 9.472 -1.455 1
1 714 . 16 1 1 A 62 62 ASP HA H 59 4.412 4.353 0.059 1
1 717 . 16 1 1 A 62 62 ASP C C 59 176.073 174.800 1.273 1
1 718 . 16 1 1 A 62 62 ASP CA C 59 54.360 55.178 -0.818 1
1 719 . 16 1 1 A 62 62 ASP CB C 59 41.213 39.507 1.706 1
1 720 . 16 1 1 A 62 62 ASP N N 59 118.579 124.926 -6.347 1
1 721 . 16 1 1 A 63 63 ASP H H 60 8.096 8.627 -0.531 1
1 722 . 16 1 1 A 63 63 ASP HA H 60 4.346 4.128 0.218 1
1 725 . 16 1 1 A 63 63 ASP C C 60 176.619 175.719 0.900 1
1 726 . 16 1 1 A 63 63 ASP CA C 60 54.714 55.638 -0.924 1
1 727 . 16 1 1 A 63 63 ASP CB C 60 40.801 38.860 1.941 1
1 728 . 16 1 1 A 63 63 ASP N N 60 119.530 110.677 8.853 1
1 729 . 16 1 1 A 64 64 GLU H H 61 8.109 8.010 0.099 1
1 730 . 16 1 1 A 64 64 GLU HA H 61 4.012 4.079 -0.067 1
1 735 . 16 1 1 A 64 64 GLU C C 61 176.652 178.917 -2.265 1
1 736 . 16 1 1 A 64 64 GLU CA C 61 57.301 59.033 -1.732 1
1 737 . 16 1 1 A 64 64 GLU CB C 61 30.107 29.369 0.738 1
1 739 . 16 1 1 A 64 64 GLU N N 61 120.050 118.768 1.282 1
1 740 . 16 1 1 A 65 65 ASP H H 62 8.062 8.409 -0.347 1
1 741 . 16 1 1 A 65 65 ASP HA H 62 4.369 4.381 -0.012 1
1 744 . 16 1 1 A 65 65 ASP C C 62 177.458 178.765 -1.307 1
1 745 . 16 1 1 A 65 65 ASP CA C 62 54.645 56.300 -1.655 1
1 746 . 16 1 1 A 65 65 ASP CB C 62 40.896 40.530 0.366 1
1 747 . 16 1 1 A 65 65 ASP N N 62 120.211 120.077 0.134 1
1 748 . 16 1 1 A 66 66 ILE H H 63 7.805 7.585 0.220 1
1 749 . 16 1 1 A 66 66 ILE HA H 63 3.708 4.117 -0.409 1
1 759 . 16 1 1 A 66 66 ILE C C 63 176.802 177.194 -0.392 1
1 760 . 16 1 1 A 66 66 ILE CA C 63 62.754 64.580 -1.826 1
1 761 . 16 1 1 A 66 66 ILE CB C 63 38.230 37.967 0.263 1
1 765 . 16 1 1 A 66 66 ILE N N 63 121.259 120.353 0.906 1
1 766 . 16 1 1 A 67 67 MET H H 64 7.950 7.599 0.351 1
1 767 . 16 1 1 A 67 67 MET HA H 64 4.229 4.657 -0.428 1
1 775 . 16 1 1 A 67 67 MET C C 64 176.724 177.077 -0.353 1
1 776 . 16 1 1 A 67 67 MET CA C 64 55.944 54.764 1.180 1
1 777 . 16 1 1 A 67 67 MET CB C 64 31.826 34.149 -2.323 1
1 780 . 16 1 1 A 67 67 MET N N 64 118.533 115.958 2.575 1
1 781 . 16 1 1 A 68 68 ARG H H 65 7.604 7.729 -0.125 1
1 782 . 16 1 1 A 68 68 ARG HA H 65 4.197 4.504 -0.307 1
1 789 . 16 1 1 A 68 68 ARG C C 65 175.530 175.240 0.290 1
1 790 . 16 1 1 A 68 68 ARG CA C 65 56.028 55.482 0.546 1
1 791 . 16 1 1 A 68 68 ARG CB C 65 30.760 32.245 -1.485 1
1 794 . 16 1 1 A 68 68 ARG N N 65 118.706 117.613 1.093 1
1 795 . 16 1 1 A 69 69 ALA H H 66 7.634 7.351 0.283 1
1 796 . 16 1 1 A 69 69 ALA HA H 66 4.254 4.822 -0.568 1
1 800 . 16 1 1 A 69 69 ALA C C 66 176.846 174.745 2.101 1
1 801 . 16 1 1 A 69 69 ALA CA C 66 51.905 50.865 1.040 1
1 802 . 16 1 1 A 69 69 ALA CB C 66 20.023 23.667 -3.644 1
1 803 . 16 1 1 A 69 69 ALA N N 66 123.528 120.228 3.300 1
1 804 . 16 1 1 A 70 70 GLU H H 67 8.192 8.694 -0.502 1
1 805 . 16 1 1 A 70 70 GLU HA H 67 4.228 4.767 -0.539 1
1 810 . 16 1 1 A 70 70 GLU C C 67 176.333 176.464 -0.131 1
1 811 . 16 1 1 A 70 70 GLU CA C 67 55.928 55.359 0.569 1
1 812 . 16 1 1 A 70 70 GLU CB C 67 30.769 31.142 -0.373 1
1 814 . 16 1 1 A 70 70 GLU N N 67 120.599 120.100 0.499 1
1 815 . 16 1 1 A 71 71 ARG H H 68 8.674 8.437 0.237 1
1 816 . 16 1 1 A 71 71 ARG HA H 68 3.696 4.394 -0.698 1
1 823 . 16 1 1 A 71 71 ARG C C 68 175.422 175.245 0.177 1
1 824 . 16 1 1 A 71 71 ARG CA C 68 56.964 55.755 1.209 1
1 825 . 16 1 1 A 71 71 ARG CB C 68 30.886 30.641 0.245 1
1 828 . 16 1 1 A 71 71 ARG N N 68 123.533 124.321 -0.788 1
1 829 . 16 1 1 A 72 72 ARG H H 69 7.660 8.710 -1.050 1
1 830 . 16 1 1 A 72 72 ARG HA H 69 4.642 4.650 -0.008 1
1 837 . 16 1 1 A 72 72 ARG C C 69 175.051 175.768 -0.717 1
1 838 . 16 1 1 A 72 72 ARG CA C 69 54.297 55.724 -1.427 1
1 839 . 16 1 1 A 72 72 ARG CB C 69 33.555 31.442 2.113 1
1 842 . 16 1 1 A 72 72 ARG N N 69 120.057 124.311 -4.254 1
1 843 . 16 1 1 A 73 73 PHE H H 70 8.714 8.817 -0.103 1
1 844 . 16 1 1 A 73 73 PHE HA H 70 5.020 4.928 0.092 1
1 852 . 16 1 1 A 73 73 PHE C C 70 173.159 174.656 -1.497 1
1 853 . 16 1 1 A 73 73 PHE CA C 70 57.359 57.240 0.119 1
1 854 . 16 1 1 A 73 73 PHE CB C 70 43.426 42.348 1.078 1
1 860 . 16 1 1 A 73 73 PHE N N 70 119.519 123.025 -3.506 1
1 861 . 16 1 1 A 74 74 GLU H H 71 9.404 9.206 0.198 1
1 862 . 16 1 1 A 74 74 GLU HA H 71 4.996 5.122 -0.126 1
1 867 . 16 1 1 A 74 74 GLU C C 71 175.559 174.956 0.603 1
1 868 . 16 1 1 A 74 74 GLU CA C 71 52.975 54.788 -1.813 1
1 869 . 16 1 1 A 74 74 GLU CB C 71 33.399 33.651 -0.252 1
1 871 . 16 1 1 A 74 74 GLU N N 71 117.679 118.187 -0.508 1
1 872 . 16 1 1 A 75 75 THR H H 72 9.801 9.116 0.685 1
1 873 . 16 1 1 A 75 75 THR HA H 72 4.108 4.613 -0.505 1
1 878 . 16 1 1 A 75 75 THR C C 72 175.065 173.952 1.113 1
1 879 . 16 1 1 A 75 75 THR CA C 72 64.296 63.094 1.202 1
1 880 . 16 1 1 A 75 75 THR CB C 72 67.635 68.438 -0.803 1
1 882 . 16 1 1 A 75 75 THR N N 72 122.320 118.938 3.382 1
1 883 . 16 1 1 A 76 76 ARG H H 73 9.150 8.934 0.216 1
1 884 . 16 1 1 A 76 76 ARG HA H 73 4.283 4.216 0.067 1
1 892 . 16 1 1 A 76 76 ARG C C 73 176.574 176.816 -0.242 1
1 893 . 16 1 1 A 76 76 ARG CA C 73 55.858 58.663 -2.805 1
1 894 . 16 1 1 A 76 76 ARG CB C 73 30.930 30.966 -0.036 1
1 897 . 16 1 1 A 76 76 ARG N N 73 127.709 128.344 -0.635 1
1 899 . 16 1 1 A 77 77 LEU H H 74 7.520 7.694 -0.174 1
1 900 . 16 1 1 A 77 77 LEU HA H 74 4.480 4.891 -0.411 1
1 910 . 16 1 1 A 77 77 LEU C C 74 174.509 175.288 -0.779 1
1 911 . 16 1 1 A 77 77 LEU CA C 74 54.222 53.059 1.163 1
1 912 . 16 1 1 A 77 77 LEU CB C 74 47.315 45.805 1.510 1
1 916 . 16 1 1 A 77 77 LEU N N 74 117.021 118.236 -1.215 1
1 917 . 16 1 1 A 78 78 ALA H H 75 8.600 8.443 0.157 1
1 918 . 16 1 1 A 78 78 ALA HA H 75 4.999 4.890 0.109 1
1 922 . 16 1 1 A 78 78 ALA C C 75 176.343 177.079 -0.736 1
1 923 . 16 1 1 A 78 78 ALA CA C 75 50.324 51.743 -1.419 1
1 924 . 16 1 1 A 78 78 ALA CB C 75 21.074 22.407 -1.333 1
1 925 . 16 1 1 A 78 78 ALA N N 75 124.663 123.001 1.662 1
1 926 . 16 1 1 A 79 79 GLY H H 76 8.730 8.799 -0.069 1
1 927 . 16 1 1 A 79 79 GLY HA2 H 76 3.706 3.846 -0.140 1
1 928 . 16 1 1 A 79 79 GLY HA3 H 76 3.306 3.847 -0.541 1
1 929 . 16 1 1 A 79 79 GLY C C 76 175.173 173.670 1.503 1
1 930 . 16 1 1 A 79 79 GLY CA C 76 47.520 46.416 1.104 1
1 931 . 16 1 1 A 79 79 GLY N N 76 114.411 111.088 3.323 1
1 932 . 16 1 1 A 80 80 VAL H H 77 8.380 7.816 0.564 1
1 933 . 16 1 1 A 80 80 VAL HA H 77 4.643 4.763 -0.120 1
1 941 . 16 1 1 A 80 80 VAL C C 77 175.208 175.135 0.073 1
1 942 . 16 1 1 A 80 80 VAL CA C 77 59.289 59.257 0.032 1
1 943 . 16 1 1 A 80 80 VAL CB C 77 34.226 34.887 -0.661 1
1 946 . 16 1 1 A 80 80 VAL N N 77 112.611 115.950 -3.339 1
1 947 . 16 1 1 A 81 81 GLU H H 78 8.415 8.549 -0.134 1
1 948 . 16 1 1 A 81 81 GLU HA H 78 4.451 4.626 -0.175 1
1 953 . 16 1 1 A 81 81 GLU C C 78 178.955 177.868 1.087 1
1 954 . 16 1 1 A 81 81 GLU CA C 78 55.631 54.797 0.834 1
1 955 . 16 1 1 A 81 81 GLU CB C 78 30.535 30.382 0.153 1
1 957 . 16 1 1 A 81 81 GLU N N 78 117.186 121.911 -4.725 1
1 958 . 16 1 1 A 82 82 GLY H H 79 8.834 8.714 0.120 1
1 959 . 16 1 1 A 82 82 GLY HA2 H 79 3.810 3.856 -0.046 1
1 960 . 16 1 1 A 82 82 GLY HA3 H 79 3.518 3.858 -0.340 1
1 961 . 16 1 1 A 82 82 GLY C C 79 176.446 175.782 0.664 1
1 962 . 16 1 1 A 82 82 GLY CA C 79 47.629 47.002 0.627 1
1 963 . 16 1 1 A 82 82 GLY N N 79 109.312 108.246 1.066 1
1 964 . 16 1 1 A 83 83 GLU H H 80 8.747 8.109 0.638 1
1 965 . 16 1 1 A 83 83 GLU HA H 80 3.972 4.086 -0.114 1
1 970 . 16 1 1 A 83 83 GLU C C 80 179.046 178.994 0.052 1
1 971 . 16 1 1 A 83 83 GLU CA C 80 59.403 59.117 0.286 1
1 972 . 16 1 1 A 83 83 GLU CB C 80 29.005 29.440 -0.435 1
1 974 . 16 1 1 A 83 83 GLU N N 80 119.416 121.272 -1.856 1
1 975 . 16 1 1 A 84 84 GLU H H 81 7.588 8.178 -0.590 1
1 976 . 16 1 1 A 84 84 GLU HA H 81 4.003 4.064 -0.061 1
1 981 . 16 1 1 A 84 84 GLU C C 81 179.682 179.433 0.249 1
1 982 . 16 1 1 A 84 84 GLU CA C 81 59.213 59.152 0.061 1
1 983 . 16 1 1 A 84 84 GLU CB C 81 29.473 29.718 -0.245 1
1 985 . 16 1 1 A 84 84 GLU N N 81 120.110 119.399 0.711 1
1 986 . 16 1 1 A 85 85 ILE H H 82 6.936 7.909 -0.973 1
1 987 . 16 1 1 A 85 85 ILE HA H 82 3.356 3.546 -0.190 1
1 997 . 16 1 1 A 85 85 ILE C C 82 177.308 177.803 -0.495 1
1 998 . 16 1 1 A 85 85 ILE CA C 82 64.055 65.887 -1.832 1
1 999 . 16 1 1 A 85 85 ILE CB C 82 36.836 38.024 -1.188 1
1 1003 . 16 1 1 A 85 85 ILE N N 82 120.268 121.459 -1.191 1
1 1004 . 16 1 1 A 86 86 ALA H H 83 8.292 8.381 -0.089 1
1 1005 . 16 1 1 A 86 86 ALA HA H 83 3.787 4.068 -0.281 1
1 1009 . 16 1 1 A 86 86 ALA C C 83 180.345 179.920 0.425 1
1 1010 . 16 1 1 A 86 86 ALA CA C 83 55.103 54.453 0.650 1
1 1011 . 16 1 1 A 86 86 ALA CB C 83 17.928 18.428 -0.500 1
1 1012 . 16 1 1 A 86 86 ALA N N 83 121.052 121.408 -0.356 1
1 1013 . 16 1 1 A 87 87 ALA H H 84 7.516 7.668 -0.152 1
1 1014 . 16 1 1 A 87 87 ALA HA H 84 4.006 4.186 -0.180 1
1 1018 . 16 1 1 A 87 87 ALA C C 84 180.272 179.272 1.000 1
1 1019 . 16 1 1 A 87 87 ALA CA C 84 54.765 55.013 -0.248 1
1 1020 . 16 1 1 A 87 87 ALA CB C 84 17.949 18.288 -0.339 1
1 1021 . 16 1 1 A 87 87 ALA N N 84 119.052 119.662 -0.610 1
1 1022 . 16 1 1 A 88 88 LEU H H 85 7.285 7.654 -0.369 1
1 1023 . 16 1 1 A 88 88 LEU HA H 85 4.042 4.141 -0.099 1
1 1033 . 16 1 1 A 88 88 LEU C C 85 174.921 178.591 -3.670 1
1 1034 . 16 1 1 A 88 88 LEU CA C 85 58.290 57.171 1.119 1
1 1035 . 16 1 1 A 88 88 LEU CB C 85 41.610 42.253 -0.643 1
1 1039 . 16 1 1 A 88 88 LEU N N 85 121.211 119.762 1.449 1
1 1040 . 16 1 1 A 89 89 LEU H H 86 8.472 7.932 0.540 1
1 1041 . 16 1 1 A 89 89 LEU HA H 86 3.486 3.824 -0.338 1
1 1051 . 16 1 1 A 89 89 LEU C C 86 178.855 179.586 -0.731 1
1 1052 . 16 1 1 A 89 89 LEU CA C 86 57.476 57.150 0.326 1
1 1053 . 16 1 1 A 89 89 LEU CB C 86 41.478 41.085 0.393 1
1 1057 . 16 1 1 A 89 89 LEU N N 86 118.740 118.481 0.259 1
1 1058 . 16 1 1 A 90 90 GLU H H 87 7.926 8.729 -0.803 1
1 1059 . 16 1 1 A 90 90 GLU HA H 87 3.726 3.975 -0.249 1
1 1064 . 16 1 1 A 90 90 GLU C C 87 178.738 178.677 0.061 1
1 1065 . 16 1 1 A 90 90 GLU CA C 87 59.511 59.053 0.458 1
1 1066 . 16 1 1 A 90 90 GLU CB C 87 28.855 28.932 -0.077 1
1 1068 . 16 1 1 A 90 90 GLU N N 87 119.669 117.990 1.679 1
1 1069 . 16 1 1 A 91 91 ARG H H 88 7.069 7.825 -0.756 1
1 1070 . 16 1 1 A 91 91 ARG HA H 88 3.762 4.218 -0.456 1
1 1077 . 16 1 1 A 91 91 ARG C C 88 178.920 179.076 -0.156 1
1 1078 . 16 1 1 A 91 91 ARG CA C 88 59.544 59.531 0.013 1
1 1079 . 16 1 1 A 91 91 ARG CB C 88 29.723 30.335 -0.612 1
1 1082 . 16 1 1 A 91 91 ARG N N 88 119.088 119.429 -0.341 1
1 1083 . 16 1 1 A 92 92 GLU H H 89 8.170 8.185 -0.015 1
1 1084 . 16 1 1 A 92 92 GLU HA H 89 4.021 4.086 -0.065 1
1 1089 . 16 1 1 A 92 92 GLU C C 89 180.250 179.768 0.482 1
1 1090 . 16 1 1 A 92 92 GLU CA C 89 58.661 58.819 -0.158 1
1 1091 . 16 1 1 A 92 92 GLU CB C 89 28.073 29.117 -1.044 1
1 1093 . 16 1 1 A 92 92 GLU N N 89 117.768 119.668 -1.900 1
1 1094 . 16 1 1 A 93 93 ARG H H 90 8.355 7.899 0.456 1
1 1095 . 16 1 1 A 93 93 ARG HA H 90 4.003 4.212 -0.209 1
1 1102 . 16 1 1 A 93 93 ARG C C 90 177.592 178.581 -0.989 1
1 1103 . 16 1 1 A 93 93 ARG CA C 90 57.744 58.944 -1.200 1
1 1104 . 16 1 1 A 93 93 ARG CB C 90 30.325 29.802 0.523 1
1 1107 . 16 1 1 A 93 93 ARG N N 90 119.179 118.868 0.311 1
1 1108 . 16 1 1 A 94 94 ARG H H 91 7.232 7.604 -0.372 1
1 1109 . 16 1 1 A 94 94 ARG HA H 91 3.788 3.966 -0.178 1
1 1116 . 16 1 1 A 94 94 ARG C C 91 177.986 178.839 -0.853 1
1 1117 . 16 1 1 A 94 94 ARG CA C 91 58.462 58.880 -0.418 1
1 1118 . 16 1 1 A 94 94 ARG CB C 91 29.565 29.651 -0.086 1
1 1121 . 16 1 1 A 94 94 ARG N N 91 118.441 120.060 -1.619 1
1 1122 . 16 1 1 A 95 95 PHE H H 92 7.048 7.785 -0.737 1
1 1123 . 16 1 1 A 95 95 PHE HA H 92 4.474 4.338 0.136 1
1 1128 . 16 1 1 A 95 95 PHE C C 92 175.728 175.854 -0.126 1
1 1129 . 16 1 1 A 95 95 PHE CA C 92 58.210 59.848 -1.638 1
1 1130 . 16 1 1 A 95 95 PHE CB C 92 39.724 39.627 0.097 1
1 1133 . 16 1 1 A 95 95 PHE N N 92 115.951 117.097 -1.146 1
1 1134 . 16 1 1 A 96 96 ASP H H 93 7.793 8.042 -0.249 1
1 1135 . 16 1 1 A 96 96 ASP HA H 93 4.703 4.949 -0.246 1
1 1138 . 16 1 1 A 96 96 ASP C C 93 179.474 175.947 3.527 1
1 1139 . 16 1 1 A 96 96 ASP CA C 93 53.103 53.325 -0.222 1
1 1140 . 16 1 1 A 96 96 ASP CB C 93 41.634 42.794 -1.160 1
1 1141 . 16 1 1 A 96 96 ASP N N 93 119.328 115.499 3.829 1
1 1142 . 16 1 1 A 97 97 SER H H 94 8.490 9.023 -0.533 1
1 1143 . 16 1 1 A 97 97 SER HA H 94 4.204 4.169 0.035 1
1 1146 . 16 1 1 A 97 97 SER C C 94 175.549 175.273 0.276 1
1 1147 . 16 1 1 A 97 97 SER CA C 94 60.047 61.075 -1.028 1
1 1148 . 16 1 1 A 97 97 SER CB C 94 63.408 62.810 0.598 1
1 1149 . 16 1 1 A 97 97 SER N N 94 118.740 118.819 -0.079 1
1 1150 . 16 1 1 A 98 98 ASP H H 95 8.229 8.252 -0.023 1
1 1151 . 16 1 1 A 98 98 ASP HA H 95 4.684 4.514 0.170 1
1 1154 . 16 1 1 A 98 98 ASP C C 95 175.547 176.275 -0.728 1
1 1155 . 16 1 1 A 98 98 ASP CA C 95 54.380 54.382 -0.002 1
1 1156 . 16 1 1 A 98 98 ASP CB C 95 42.267 39.245 3.022 1
1 1157 . 16 1 1 A 98 98 ASP N N 95 121.306 116.848 4.458 1
1 1158 . 16 1 1 A 99 99 LEU H H 96 6.613 7.500 -0.887 1
1 1159 . 16 1 1 A 99 99 LEU HA H 96 4.801 5.053 -0.252 1
1 1169 . 16 1 1 A 99 99 LEU C C 96 176.224 176.147 0.077 1
1 1170 . 16 1 1 A 99 99 LEU CA C 96 55.691 53.945 1.746 1
1 1171 . 16 1 1 A 99 99 LEU CB C 96 42.272 43.727 -1.455 1
1 1175 . 16 1 1 A 99 99 LEU N N 96 117.774 116.850 0.924 1
1 1176 . 16 1 1 A 100 100 TRP H H 97 9.750 9.268 0.482 1
1 1177 . 16 1 1 A 100 100 TRP HA H 97 4.757 5.378 -0.621 1
1 1186 . 16 1 1 A 100 100 TRP C C 97 176.737 175.153 1.584 1
1 1187 . 16 1 1 A 100 100 TRP CA C 97 55.634 55.363 0.271 1
1 1188 . 16 1 1 A 100 100 TRP CB C 97 31.794 32.722 -0.928 1
1 1194 . 16 1 1 A 100 100 TRP N N 97 120.649 119.665 0.984 1
1 1196 . 16 1 1 A 101 101 VAL H H 98 9.096 8.697 0.399 1
1 1197 . 16 1 1 A 101 101 VAL HA H 98 5.018 5.200 -0.182 1
1 1205 . 16 1 1 A 101 101 VAL C C 98 175.816 175.627 0.189 1
1 1206 . 16 1 1 A 101 101 VAL CA C 98 61.998 61.725 0.273 1
1 1207 . 16 1 1 A 101 101 VAL CB C 98 34.180 33.150 1.030 1
1 1210 . 16 1 1 A 101 101 VAL N N 98 117.960 123.805 -5.845 1
1 1211 . 16 1 1 A 102 102 VAL H H 99 9.113 9.045 0.068 1
1 1212 . 16 1 1 A 102 102 VAL HA H 99 4.546 4.695 -0.149 1
1 1220 . 16 1 1 A 102 102 VAL C C 99 173.388 174.905 -1.517 1
1 1221 . 16 1 1 A 102 102 VAL CA C 99 60.987 61.068 -0.081 1
1 1222 . 16 1 1 A 102 102 VAL CB C 99 34.654 35.370 -0.716 1
1 1225 . 16 1 1 A 102 102 VAL N N 99 129.775 127.782 1.993 1
1 1226 . 16 1 1 A 103 103 GLU H H 100 9.226 8.663 0.563 1
1 1227 . 16 1 1 A 103 103 GLU HA H 100 5.376 4.853 0.523 1
1 1232 . 16 1 1 A 103 103 GLU C C 100 175.058 176.053 -0.995 1
1 1233 . 16 1 1 A 103 103 GLU CA C 100 54.158 56.062 -1.904 1
1 1234 . 16 1 1 A 103 103 GLU CB C 100 31.835 30.345 1.490 1
1 1236 . 16 1 1 A 103 103 GLU N N 100 128.249 127.550 0.699 1
1 1237 . 16 1 1 A 104 104 ILE H H 101 9.141 9.044 0.097 1
1 1238 . 16 1 1 A 104 104 ILE HA H 101 5.021 5.162 -0.141 1
1 1248 . 16 1 1 A 104 104 ILE C C 101 173.727 174.145 -0.418 1
1 1249 . 16 1 1 A 104 104 ILE CA C 101 59.226 59.303 -0.077 1
1 1250 . 16 1 1 A 104 104 ILE CB C 101 42.192 40.947 1.245 1
1 1254 . 16 1 1 A 104 104 ILE N N 101 118.638 120.848 -2.210 1
1 1255 . 16 1 1 A 105 105 GLU H H 102 9.018 9.240 -0.222 1
1 1256 . 16 1 1 A 105 105 GLU HA H 102 4.800 4.917 -0.117 1
1 1261 . 16 1 1 A 105 105 GLU C C 102 174.832 175.437 -0.605 1
1 1262 . 16 1 1 A 105 105 GLU CA C 102 55.362 55.367 -0.005 1
1 1263 . 16 1 1 A 105 105 GLU CB C 102 31.160 30.815 0.345 1
1 1265 . 16 1 1 A 105 105 GLU N N 102 125.842 125.639 0.203 1
1 1266 . 16 1 1 A 106 106 THR H H 103 7.678 8.330 -0.652 1
1 1267 . 16 1 1 A 106 106 THR HA H 103 4.424 4.856 -0.432 1
1 1272 . 16 1 1 A 106 106 THR C C 103 172.175 172.494 -0.319 1
1 1273 . 16 1 1 A 106 106 THR CA C 103 60.772 60.402 0.370 1
1 1274 . 16 1 1 A 106 106 THR CB C 103 67.599 69.265 -1.666 1
1 1276 . 16 1 1 A 106 106 THR N N 103 118.569 119.885 -1.316 1
1 1277 . 16 1 1 A 107 107 ASP H H 104 8.400 8.970 -0.570 1
1 1278 . 16 1 1 A 107 107 ASP HA H 104 4.635 4.664 -0.029 1
1 1281 . 16 1 1 A 107 107 ASP C C 104 176.214 176.114 0.100 1
1 1282 . 16 1 1 A 107 107 ASP CA C 104 55.771 54.680 1.091 1
1 1283 . 16 1 1 A 107 107 ASP CB C 104 41.463 41.880 -0.417 1
1 1284 . 16 1 1 A 107 107 ASP N N 104 125.388 124.977 0.411 1
1 1285 . 16 1 1 A 108 108 GLU H H 105 7.995 7.375 0.620 1
1 1286 . 16 1 1 A 108 108 GLU HA H 105 4.524 4.738 -0.214 1
1 1291 . 16 1 1 A 108 108 GLU C C 105 175.340 175.781 -0.441 1
1 1292 . 16 1 1 A 108 108 GLU CA C 105 54.564 55.373 -0.809 1
1 1293 . 16 1 1 A 108 108 GLU CB C 105 30.953 31.713 -0.760 1
1 1295 . 16 1 1 A 108 108 GLU N N 105 120.222 116.838 3.384 1
1 1296 . 16 1 1 A 109 109 ILE H H 106 8.389 8.725 -0.336 1
1 1297 . 16 1 1 A 109 109 ILE HA H 106 3.853 4.232 -0.379 1
1 1307 . 16 1 1 A 109 109 ILE C C 106 176.324 177.548 -1.224 1
1 1308 . 16 1 1 A 109 109 ILE CA C 106 60.148 62.104 -1.956 1
1 1309 . 16 1 1 A 109 109 ILE CB C 106 38.950 40.934 -1.984 1
1 1313 . 16 1 1 A 109 109 ILE N N 106 124.088 123.850 0.238 1
1 1314 . 16 1 1 A 110 110 GLY H H 107 8.534 8.561 -0.027 1
1 1315 . 16 1 1 A 110 110 GLY HA2 H 107 3.744 3.695 0.049 1
1 1316 . 16 1 1 A 110 110 GLY HA3 H 107 3.705 3.722 -0.017 1
1 1317 . 16 1 1 A 110 110 GLY C C 107 175.021 176.272 -1.251 1
1 1318 . 16 1 1 A 110 110 GLY CA C 107 46.530 47.504 -0.974 1
1 1319 . 16 1 1 A 110 110 GLY N N 107 109.224 109.312 -0.088 1
1 1320 . 16 1 1 A 111 111 THR H H 108 7.892 7.947 -0.055 1
1 1321 . 16 1 1 A 111 111 THR HA H 108 4.255 4.069 0.186 1
1 1326 . 16 1 1 A 111 111 THR C C 108 175.417 175.106 0.311 1
1 1327 . 16 1 1 A 111 111 THR CA C 108 61.287 64.489 -3.202 1
1 1328 . 16 1 1 A 111 111 THR CB C 108 68.657 68.704 -0.047 1
1 1330 . 16 1 1 A 111 111 THR N N 108 111.278 116.836 -5.558 1
1 1331 . 16 1 1 A 112 112 LEU H H 109 7.950 7.321 0.629 1
1 1332 . 16 1 1 A 112 112 LEU HA H 109 3.887 4.577 -0.690 1
1 1342 . 16 1 1 A 112 112 LEU C C 109 175.715 176.105 -0.390 1
1 1343 . 16 1 1 A 112 112 LEU CA C 109 56.661 54.142 2.519 1
1 1344 . 16 1 1 A 112 112 LEU CB C 109 43.310 43.390 -0.080 1
1 1348 . 16 1 1 A 112 112 LEU N N 109 122.017 114.091 7.926 1
1 1349 . 16 1 1 A 113 113 LEU H H 110 7.003 7.194 -0.191 1
1 1350 . 16 1 1 A 113 113 LEU HA H 110 4.327 4.516 -0.189 1
1 1360 . 16 1 1 A 113 113 LEU C C 110 175.563 174.075 1.488 1
1 1361 . 16 1 1 A 113 113 LEU CA C 110 52.377 54.355 -1.978 1
1 1362 . 16 1 1 A 113 113 LEU CB C 110 44.890 45.029 -0.139 1
1 1366 . 16 1 1 A 113 113 LEU N N 110 113.184 119.868 -6.684 1
1 1367 . 16 1 1 A 114 114 THR H H 111 9.101 8.780 0.321 1
1 1368 . 16 1 1 A 114 114 THR HA H 111 4.079 4.766 -0.687 1
1 1373 . 16 1 1 A 114 114 THR C C 111 173.117 174.097 -0.980 1
1 1374 . 16 1 1 A 114 114 THR CA C 111 62.838 62.244 0.594 1
1 1375 . 16 1 1 A 114 114 THR CB C 111 68.245 70.102 -1.857 1
1 1377 . 16 1 1 A 114 114 THR N N 111 119.602 123.171 -3.569 1
1 1378 . 16 1 1 A 115 115 LEU H H 112 8.461 8.752 -0.291 1
1 1379 . 16 1 1 A 115 115 LEU HA H 112 4.985 5.375 -0.390 1
1 1389 . 16 1 1 A 115 115 LEU C C 112 178.488 176.878 1.610 1
1 1390 . 16 1 1 A 115 115 LEU CA C 112 52.953 53.500 -0.547 1
1 1391 . 16 1 1 A 115 115 LEU CB C 112 43.316 45.558 -2.242 1
1 1395 . 16 1 1 A 115 115 LEU N N 112 129.372 126.180 3.192 1
1 1396 . 16 1 1 A 116 116 VAL H H 113 8.550 8.936 -0.386 1
1 1397 . 16 1 1 A 116 116 VAL HA H 113 4.141 4.031 0.110 1
1 1405 . 16 1 1 A 116 116 VAL C C 113 175.638 177.221 -1.583 1
1 1406 . 16 1 1 A 116 116 VAL CA C 113 61.559 64.344 -2.785 1
1 1407 . 16 1 1 A 116 116 VAL CB C 113 32.128 31.846 0.282 1
1 1410 . 16 1 1 A 116 116 VAL N N 113 117.300 120.201 -2.901 1
1 1411 . 16 1 1 A 117 117 ASP H H 114 8.095 8.004 0.091 1
1 1412 . 16 1 1 A 117 117 ASP HA H 114 4.561 4.568 -0.007 1
1 1415 . 16 1 1 A 117 117 ASP C C 114 175.610 176.402 -0.792 1
1 1416 . 16 1 1 A 117 117 ASP CA C 114 53.586 56.480 -2.894 1
1 1417 . 16 1 1 A 117 117 ASP CB C 114 41.131 41.483 -0.352 1
1 1418 . 16 1 1 A 117 117 ASP N N 114 121.410 121.662 -0.252 1
1 1419 . 16 1 1 A 118 118 GLN H H 115 8.048 7.873 0.175 1
1 1420 . 16 1 1 A 118 118 GLN HA H 115 4.539 4.527 0.012 1
1 1427 . 16 1 1 A 118 118 GLN CA C 115 53.464 54.255 -0.791 1
1 1428 . 16 1 1 A 118 118 GLN CB C 115 29.143 28.170 0.973 1
1 1430 . 16 1 1 A 118 118 GLN N N 115 120.387 117.996 2.391 1
1 1432 . 16 1 1 A 119 119 PRO HA H 116 4.314 4.566 -0.252 1
1 1439 . 16 1 1 A 119 119 PRO C C 116 176.819 176.198 0.621 1
1 1440 . 16 1 1 A 119 119 PRO CA C 116 63.073 62.345 0.728 1
1 1441 . 16 1 1 A 119 119 PRO CB C 116 32.117 32.409 -0.292 1
1 1444 . 16 1 1 A 120 120 GLN H H 117 8.404 8.457 -0.053 1
1 1445 . 16 1 1 A 120 120 GLN HA H 117 4.172 4.409 -0.237 1
1 1452 . 16 1 1 A 120 120 GLN C C 117 174.745 175.844 -1.099 1
1 1453 . 16 1 1 A 120 120 GLN CA C 117 55.531 56.280 -0.749 1
1 1454 . 16 1 1 A 120 120 GLN CB C 117 29.529 28.931 0.598 1
1 1456 . 16 1 1 A 120 120 GLN N N 117 121.403 120.663 0.740 1
1 14 . 17 1 1 A 5 5 ARG H H 2 8.281 8.755 -0.474 1
1 15 . 17 1 1 A 5 5 ARG HA H 2 4.126 4.736 -0.610 1
1 22 . 17 1 1 A 5 5 ARG C C 2 176.387 175.987 0.400 1
1 23 . 17 1 1 A 5 5 ARG CA C 2 56.556 56.389 0.167 1
1 24 . 17 1 1 A 5 5 ARG CB C 2 30.698 30.713 -0.015 1
1 27 . 17 1 1 A 5 5 ARG N N 2 123.269 126.435 -3.166 1
1 28 . 17 1 1 A 6 6 LEU H H 3 8.527 8.689 -0.162 1
1 29 . 17 1 1 A 6 6 LEU HA H 3 4.414 4.879 -0.465 1
1 39 . 17 1 1 A 6 6 LEU C C 3 178.040 175.840 2.200 1
1 40 . 17 1 1 A 6 6 LEU CA C 3 54.270 53.628 0.642 1
1 41 . 17 1 1 A 6 6 LEU CB C 3 43.612 44.874 -1.262 1
1 45 . 17 1 1 A 6 6 LEU N N 3 125.588 121.651 3.937 1
1 46 . 17 1 1 A 7 7 LYS H H 4 8.646 8.707 -0.061 1
1 47 . 17 1 1 A 7 7 LYS HA H 4 4.524 4.361 0.163 1
1 56 . 17 1 1 A 7 7 LYS C C 4 178.029 178.351 -0.322 1
1 57 . 17 1 1 A 7 7 LYS CA C 4 57.051 56.153 0.898 1
1 58 . 17 1 1 A 7 7 LYS CB C 4 32.877 33.371 -0.494 1
1 62 . 17 1 1 A 7 7 LYS N N 4 123.765 120.698 3.067 1
1 63 . 17 1 1 A 8 8 SER H H 5 8.316 8.347 -0.031 1
1 64 . 17 1 1 A 8 8 SER HA H 5 3.720 4.006 -0.286 1
1 67 . 17 1 1 A 8 8 SER C C 5 174.858 176.206 -1.348 1
1 68 . 17 1 1 A 8 8 SER CA C 5 63.553 61.721 1.832 1
1 69 . 17 1 1 A 8 8 SER CB C 5 62.382 62.830 -0.448 1
1 70 . 17 1 1 A 8 8 SER N N 5 122.163 116.616 5.547 1
1 71 . 17 1 1 A 9 9 GLU H H 6 8.913 8.113 0.800 1
1 72 . 17 1 1 A 9 9 GLU HA H 6 3.401 3.200 0.201 1
1 77 . 17 1 1 A 9 9 GLU C C 6 177.494 178.337 -0.843 1
1 78 . 17 1 1 A 9 9 GLU CA C 6 59.824 58.698 1.126 1
1 79 . 17 1 1 A 9 9 GLU CB C 6 29.780 29.201 0.579 1
1 81 . 17 1 1 A 9 9 GLU N N 6 118.372 121.543 -3.171 1
1 82 . 17 1 1 A 10 10 MET H H 7 6.642 8.070 -1.428 1
1 83 . 17 1 1 A 10 10 MET HA H 7 4.200 4.173 0.027 1
1 91 . 17 1 1 A 10 10 MET C C 7 178.173 178.281 -0.108 1
1 92 . 17 1 1 A 10 10 MET CA C 7 57.360 58.336 -0.976 1
1 93 . 17 1 1 A 10 10 MET CB C 7 32.761 32.240 0.521 1
1 96 . 17 1 1 A 10 10 MET N N 7 117.318 119.038 -1.720 1
1 97 . 17 1 1 A 11 11 PHE H H 8 8.432 7.753 0.679 1
1 98 . 17 1 1 A 11 11 PHE HA H 8 3.718 4.136 -0.418 1
1 105 . 17 1 1 A 11 11 PHE C C 8 177.603 177.525 0.078 1
1 106 . 17 1 1 A 11 11 PHE CA C 8 61.845 61.288 0.557 1
1 107 . 17 1 1 A 11 11 PHE CB C 8 38.595 38.892 -0.297 1
1 112 . 17 1 1 A 11 11 PHE N N 8 122.099 120.905 1.194 1
1 113 . 17 1 1 A 12 12 VAL H H 9 8.133 7.845 0.288 1
1 114 . 17 1 1 A 12 12 VAL HA H 9 3.021 3.887 -0.866 1
1 122 . 17 1 1 A 12 12 VAL C C 9 176.668 178.026 -1.358 1
1 123 . 17 1 1 A 12 12 VAL CA C 9 67.353 65.521 1.832 1
1 124 . 17 1 1 A 12 12 VAL CB C 9 31.238 31.690 -0.452 1
1 127 . 17 1 1 A 12 12 VAL N N 9 119.317 119.232 0.085 1
1 128 . 17 1 1 A 13 13 SER H H 10 7.750 8.013 -0.263 1
1 129 . 17 1 1 A 13 13 SER HA H 10 3.905 4.032 -0.127 1
1 132 . 17 1 1 A 13 13 SER C C 10 176.947 176.494 0.453 1
1 133 . 17 1 1 A 13 13 SER CA C 10 61.775 62.063 -0.288 1
1 134 . 17 1 1 A 13 13 SER CB C 10 62.483 62.765 -0.282 1
1 135 . 17 1 1 A 13 13 SER N N 10 114.115 117.329 -3.214 1
1 136 . 17 1 1 A 14 14 ALA H H 11 7.776 7.639 0.137 1
1 137 . 17 1 1 A 14 14 ALA HA H 11 3.860 4.054 -0.194 1
1 141 . 17 1 1 A 14 14 ALA C C 11 179.154 179.591 -0.437 1
1 142 . 17 1 1 A 14 14 ALA CA C 11 54.811 54.809 0.002 1
1 143 . 17 1 1 A 14 14 ALA CB C 11 17.641 18.145 -0.504 1
1 144 . 17 1 1 A 14 14 ALA N N 11 123.170 123.499 -0.329 1
1 145 . 17 1 1 A 15 15 LEU H H 12 7.732 8.007 -0.275 1
1 146 . 17 1 1 A 15 15 LEU HA H 12 3.636 3.845 -0.209 1
1 156 . 17 1 1 A 15 15 LEU C C 12 177.617 178.943 -1.326 1
1 157 . 17 1 1 A 15 15 LEU CA C 12 57.790 57.570 0.220 1
1 158 . 17 1 1 A 15 15 LEU CB C 12 41.352 41.344 0.008 1
1 162 . 17 1 1 A 15 15 LEU N N 12 121.171 119.570 1.601 1
1 163 . 17 1 1 A 16 16 ILE H H 13 8.037 8.028 0.009 1
1 164 . 17 1 1 A 16 16 ILE HA H 13 3.061 3.557 -0.496 1
1 174 . 17 1 1 A 16 16 ILE C C 13 177.708 178.187 -0.479 1
1 175 . 17 1 1 A 16 16 ILE CA C 13 65.872 65.030 0.842 1
1 176 . 17 1 1 A 16 16 ILE CB C 13 37.704 37.716 -0.012 1
1 180 . 17 1 1 A 16 16 ILE N N 13 117.849 120.152 -2.303 1
1 181 . 17 1 1 A 17 17 ARG H H 14 7.537 7.663 -0.126 1
1 182 . 17 1 1 A 17 17 ARG HA H 14 3.980 4.118 -0.138 1
1 189 . 17 1 1 A 17 17 ARG C C 14 179.876 179.021 0.855 1
1 190 . 17 1 1 A 17 17 ARG CA C 14 59.920 59.072 0.848 1
1 191 . 17 1 1 A 17 17 ARG CB C 14 29.995 29.600 0.395 1
1 194 . 17 1 1 A 17 17 ARG N N 14 117.366 120.684 -3.318 1
1 195 . 17 1 1 A 18 18 ARG H H 15 8.068 7.871 0.197 1
1 196 . 17 1 1 A 18 18 ARG HA H 15 3.868 3.994 -0.126 1
1 203 . 17 1 1 A 18 18 ARG C C 15 176.630 178.814 -2.184 1
1 204 . 17 1 1 A 18 18 ARG CA C 15 59.606 59.472 0.134 1
1 205 . 17 1 1 A 18 18 ARG CB C 15 30.327 30.538 -0.211 1
1 208 . 17 1 1 A 18 18 ARG N N 15 119.713 119.652 0.061 1
1 209 . 17 1 1 A 19 19 VAL H H 16 8.259 7.618 0.641 1
1 210 . 17 1 1 A 19 19 VAL HA H 16 3.296 3.713 -0.417 1
1 218 . 17 1 1 A 19 19 VAL C C 16 177.306 178.051 -0.745 1
1 219 . 17 1 1 A 19 19 VAL CA C 16 66.667 65.283 1.384 1
1 220 . 17 1 1 A 19 19 VAL CB C 16 30.421 31.358 -0.937 1
1 223 . 17 1 1 A 19 19 VAL N N 16 121.385 116.775 4.610 1
1 224 . 17 1 1 A 20 20 PHE H H 17 8.014 7.782 0.232 1
1 225 . 17 1 1 A 20 20 PHE HA H 17 4.222 4.250 -0.028 1
1 233 . 17 1 1 A 20 20 PHE C C 17 180.973 178.031 2.942 1
1 234 . 17 1 1 A 20 20 PHE CA C 17 61.988 61.448 0.540 1
1 235 . 17 1 1 A 20 20 PHE CB C 17 38.553 37.742 0.811 1
1 241 . 17 1 1 A 20 20 PHE N N 17 118.811 120.224 -1.413 1
1 242 . 17 1 1 A 21 21 ALA H H 18 8.192 7.872 0.320 1
1 243 . 17 1 1 A 21 21 ALA HA H 18 4.096 4.154 -0.058 1
1 247 . 17 1 1 A 21 21 ALA C C 18 178.425 178.703 -0.278 1
1 248 . 17 1 1 A 21 21 ALA CA C 18 54.716 54.612 0.104 1
1 249 . 17 1 1 A 21 21 ALA CB C 18 17.752 18.096 -0.344 1
1 250 . 17 1 1 A 21 21 ALA N N 18 122.995 121.701 1.294 1
1 251 . 17 1 1 A 22 22 ALA H H 19 7.256 7.615 -0.359 1
1 252 . 17 1 1 A 22 22 ALA HA H 19 4.356 4.400 -0.044 1
1 256 . 17 1 1 A 22 22 ALA C C 19 177.665 178.361 -0.696 1
1 257 . 17 1 1 A 22 22 ALA CA C 19 51.629 51.633 -0.004 1
1 258 . 17 1 1 A 22 22 ALA CB C 19 18.554 18.797 -0.243 1
1 259 . 17 1 1 A 22 22 ALA N N 19 118.872 118.262 0.610 1
1 260 . 17 1 1 A 23 23 GLY H H 20 7.774 8.227 -0.453 1
1 261 . 17 1 1 A 23 23 GLY HA2 H 20 4.207 3.970 0.237 1
1 262 . 17 1 1 A 23 23 GLY HA3 H 20 3.762 3.996 -0.234 1
1 263 . 17 1 1 A 23 23 GLY C C 20 174.779 174.506 0.273 1
1 264 . 17 1 1 A 23 23 GLY CA C 20 45.347 45.175 0.172 1
1 265 . 17 1 1 A 23 23 GLY N N 20 106.718 107.733 -1.015 1
1 266 . 17 1 1 A 24 24 GLY H H 21 7.795 7.963 -0.168 1
1 267 . 17 1 1 A 24 24 GLY HA2 H 21 4.538 3.925 0.613 1
1 268 . 17 1 1 A 24 24 GLY HA3 H 21 3.306 3.967 -0.661 1
1 269 . 17 1 1 A 24 24 GLY C C 21 171.187 171.923 -0.736 1
1 270 . 17 1 1 A 24 24 GLY CA C 21 43.665 44.812 -1.147 1
1 271 . 17 1 1 A 24 24 GLY N N 21 108.369 107.501 0.868 1
1 272 . 17 1 1 A 25 25 PHE H H 22 7.340 8.639 -1.299 1
1 273 . 17 1 1 A 25 25 PHE HA H 22 3.784 4.323 -0.539 1
1 280 . 17 1 1 A 25 25 PHE C C 22 172.423 174.002 -1.579 1
1 281 . 17 1 1 A 25 25 PHE CA C 22 56.434 55.963 0.471 1
1 282 . 17 1 1 A 25 25 PHE CB C 22 42.819 42.676 0.143 1
1 287 . 17 1 1 A 25 25 PHE N N 22 117.754 121.433 -3.679 1
1 288 . 17 1 1 A 26 26 ALA H H 23 5.579 7.662 -2.083 1
1 289 . 17 1 1 A 26 26 ALA HA H 23 4.943 5.252 -0.309 1
1 293 . 17 1 1 A 26 26 ALA C C 23 173.842 175.323 -1.481 1
1 294 . 17 1 1 A 26 26 ALA CA C 23 50.257 51.165 -0.908 1
1 295 . 17 1 1 A 26 26 ALA CB C 23 25.150 23.509 1.641 1
1 296 . 17 1 1 A 26 26 ALA N N 23 126.477 127.177 -0.700 1
1 297 . 17 1 1 A 27 27 ALA H H 24 8.723 8.027 0.696 1
1 298 . 17 1 1 A 27 27 ALA HA H 24 4.330 4.837 -0.507 1
1 302 . 17 1 1 A 27 27 ALA C C 24 175.543 176.028 -0.485 1
1 303 . 17 1 1 A 27 27 ALA CA C 24 51.545 51.822 -0.277 1
1 304 . 17 1 1 A 27 27 ALA CB C 24 22.974 22.951 0.023 1
1 305 . 17 1 1 A 27 27 ALA N N 24 118.178 119.664 -1.486 1
1 306 . 17 1 1 A 28 28 VAL H H 25 8.841 9.015 -0.174 1
1 307 . 17 1 1 A 28 28 VAL HA H 25 3.972 4.115 -0.143 1
1 315 . 17 1 1 A 28 28 VAL C C 25 175.547 175.357 0.190 1
1 316 . 17 1 1 A 28 28 VAL CA C 25 64.153 63.473 0.680 1
1 317 . 17 1 1 A 28 28 VAL CB C 25 31.951 31.183 0.768 1
1 320 . 17 1 1 A 28 28 VAL N N 25 120.857 123.793 -2.936 1
1 321 . 17 1 1 A 29 29 GLU H H 26 8.595 9.050 -0.455 1
1 322 . 17 1 1 A 29 29 GLU HA H 26 4.275 4.367 -0.092 1
1 327 . 17 1 1 A 29 29 GLU C C 26 176.177 176.314 -0.137 1
1 328 . 17 1 1 A 29 29 GLU CA C 26 57.686 58.438 -0.752 1
1 329 . 17 1 1 A 29 29 GLU CB C 26 30.521 30.748 -0.227 1
1 331 . 17 1 1 A 29 29 GLU N N 26 132.091 127.937 4.154 1
1 332 . 17 1 1 A 30 30 LYS H H 27 8.163 7.651 0.512 1
1 333 . 17 1 1 A 30 30 LYS HA H 27 4.352 4.831 -0.479 1
1 342 . 17 1 1 A 30 30 LYS C C 27 174.232 174.811 -0.579 1
1 343 . 17 1 1 A 30 30 LYS CA C 27 55.370 55.261 0.109 1
1 344 . 17 1 1 A 30 30 LYS CB C 27 36.138 34.854 1.284 1
1 348 . 17 1 1 A 30 30 LYS N N 27 119.899 119.252 0.647 1
1 349 . 17 1 1 A 31 31 LYS H H 28 8.603 8.425 0.178 1
1 350 . 17 1 1 A 31 31 LYS HA H 28 3.268 3.866 -0.598 1
1 359 . 17 1 1 A 31 31 LYS C C 28 175.170 174.849 0.321 1
1 360 . 17 1 1 A 31 31 LYS CA C 28 56.089 54.493 1.596 1
1 361 . 17 1 1 A 31 31 LYS CB C 28 32.386 35.470 -3.084 1
1 365 . 17 1 1 A 31 31 LYS N N 28 129.067 125.167 3.900 1
1 366 . 17 1 1 A 32 32 GLY H H 29 3.335 7.206 -3.871 1
1 367 . 17 1 1 A 32 32 GLY HA2 H 29 3.652 3.917 -0.265 1
1 368 . 17 1 1 A 32 32 GLY HA3 H 29 2.313 3.994 -1.681 1
1 369 . 17 1 1 A 32 32 GLY C C 29 172.863 173.240 -0.377 1
1 370 . 17 1 1 A 32 32 GLY CA C 29 43.344 44.620 -1.276 1
1 371 . 17 1 1 A 32 32 GLY N N 29 113.639 112.180 1.459 1
1 372 . 17 1 1 A 33 33 ALA H H 30 8.202 8.304 -0.102 1
1 373 . 17 1 1 A 33 33 ALA HA H 30 4.173 4.480 -0.307 1
1 377 . 17 1 1 A 33 33 ALA C C 30 181.026 178.262 2.764 1
1 378 . 17 1 1 A 33 33 ALA CA C 30 52.674 52.408 0.266 1
1 379 . 17 1 1 A 33 33 ALA CB C 30 19.020 19.139 -0.119 1
1 380 . 17 1 1 A 33 33 ALA N N 30 121.182 125.927 -4.745 1
1 381 . 17 1 1 A 34 34 GLU H H 31 9.313 9.153 0.160 1
1 382 . 17 1 1 A 34 34 GLU HA H 31 4.130 4.223 -0.093 1
1 387 . 17 1 1 A 34 34 GLU C C 31 177.137 178.749 -1.612 1
1 388 . 17 1 1 A 34 34 GLU CA C 31 61.214 59.202 2.012 1
1 389 . 17 1 1 A 34 34 GLU CB C 31 29.947 29.943 0.004 1
1 391 . 17 1 1 A 34 34 GLU N N 31 126.206 125.078 1.128 1
1 392 . 17 1 1 A 35 35 ALA H H 32 8.614 8.022 0.592 1
1 393 . 17 1 1 A 35 35 ALA HA H 32 4.377 4.221 0.156 1
1 397 . 17 1 1 A 35 35 ALA C C 32 180.260 178.932 1.328 1
1 398 . 17 1 1 A 35 35 ALA CA C 32 55.118 54.757 0.361 1
1 399 . 17 1 1 A 35 35 ALA CB C 32 18.192 19.038 -0.846 1
1 400 . 17 1 1 A 35 35 ALA N N 32 119.251 122.075 -2.824 1
1 401 . 17 1 1 A 36 36 ALA H H 33 8.467 7.923 0.544 1
1 402 . 17 1 1 A 36 36 ALA HA H 33 4.612 4.355 0.257 1
1 406 . 17 1 1 A 36 36 ALA C C 33 177.468 177.508 -0.040 1
1 407 . 17 1 1 A 36 36 ALA CA C 33 51.190 51.718 -0.528 1
1 408 . 17 1 1 A 36 36 ALA CB C 33 19.451 18.894 0.557 1
1 409 . 17 1 1 A 36 36 ALA N N 33 120.927 117.342 3.585 1
1 410 . 17 1 1 A 37 37 GLY H H 34 7.445 8.056 -0.611 1
1 411 . 17 1 1 A 37 37 GLY HA2 H 34 4.143 4.150 -0.007 1
1 412 . 17 1 1 A 37 37 GLY HA3 H 34 4.010 4.219 -0.209 1
1 413 . 17 1 1 A 37 37 GLY C C 34 174.885 173.368 1.517 1
1 414 . 17 1 1 A 37 37 GLY CA C 34 46.790 45.020 1.770 1
1 415 . 17 1 1 A 37 37 GLY N N 34 105.715 106.912 -1.197 1
1 416 . 17 1 1 A 38 38 ALA H H 35 9.722 8.318 1.404 1
1 417 . 17 1 1 A 38 38 ALA HA H 35 4.053 4.570 -0.517 1
1 421 . 17 1 1 A 38 38 ALA CA C 35 52.676 51.534 1.142 1
1 422 . 17 1 1 A 38 38 ALA CB C 35 20.069 20.138 -0.069 1
1 423 . 17 1 1 A 38 38 ALA N N 35 131.782 121.439 10.343 1
1 424 . 17 1 1 A 39 39 ILE H H 36 7.776 8.395 -0.619 1
1 425 . 17 1 1 A 39 39 ILE HA H 36 4.533 5.007 -0.474 1
1 435 . 17 1 1 A 39 39 ILE C C 36 172.754 174.684 -1.930 1
1 436 . 17 1 1 A 39 39 ILE CA C 36 61.429 60.593 0.836 1
1 437 . 17 1 1 A 39 39 ILE CB C 36 40.275 40.957 -0.682 1
1 441 . 17 1 1 A 39 39 ILE N N 36 119.692 120.805 -1.113 1
1 442 . 17 1 1 A 40 40 PHE H H 37 8.513 9.467 -0.954 1
1 443 . 17 1 1 A 40 40 PHE HA H 37 5.242 5.696 -0.454 1
1 448 . 17 1 1 A 40 40 PHE C C 37 175.559 174.418 1.141 1
1 449 . 17 1 1 A 40 40 PHE CA C 37 56.375 56.633 -0.258 1
1 450 . 17 1 1 A 40 40 PHE CB C 37 41.794 40.907 0.887 1
1 453 . 17 1 1 A 40 40 PHE N N 37 123.003 126.021 -3.018 1
1 454 . 17 1 1 A 41 41 VAL H H 38 8.898 9.112 -0.214 1
1 455 . 17 1 1 A 41 41 VAL HA H 38 4.981 4.816 0.165 1
1 463 . 17 1 1 A 41 41 VAL C C 38 174.233 175.159 -0.926 1
1 464 . 17 1 1 A 41 41 VAL CA C 38 60.287 61.299 -1.012 1
1 465 . 17 1 1 A 41 41 VAL CB C 38 35.122 33.711 1.411 1
1 468 . 17 1 1 A 41 41 VAL N N 38 120.239 123.516 -3.277 1
1 469 . 17 1 1 A 42 42 ARG H H 39 9.399 9.102 0.297 1
1 470 . 17 1 1 A 42 42 ARG HA H 39 5.094 5.509 -0.415 1
1 478 . 17 1 1 A 42 42 ARG C C 39 173.198 174.669 -1.471 1
1 479 . 17 1 1 A 42 42 ARG CA C 39 54.067 55.184 -1.117 1
1 480 . 17 1 1 A 42 42 ARG CB C 39 33.430 31.916 1.514 1
1 483 . 17 1 1 A 42 42 ARG N N 39 129.107 125.904 3.203 1
1 485 . 17 1 1 A 43 43 GLN H H 40 9.402 9.012 0.390 1
1 486 . 17 1 1 A 43 43 GLN HA H 40 5.371 5.142 0.229 1
1 493 . 17 1 1 A 43 43 GLN C C 40 174.278 174.795 -0.517 1
1 494 . 17 1 1 A 43 43 GLN CA C 40 52.778 55.853 -3.075 1
1 495 . 17 1 1 A 43 43 GLN CB C 40 31.703 30.279 1.424 1
1 497 . 17 1 1 A 43 43 GLN N N 40 127.936 125.438 2.498 1
1 499 . 17 1 1 A 44 44 ARG H H 41 8.875 8.796 0.079 1
1 500 . 17 1 1 A 44 44 ARG HA H 41 4.488 4.864 -0.376 1
1 507 . 17 1 1 A 44 44 ARG C C 41 175.417 175.720 -0.303 1
1 508 . 17 1 1 A 44 44 ARG CA C 41 56.319 54.437 1.882 1
1 509 . 17 1 1 A 44 44 ARG CB C 41 31.231 32.389 -1.158 1
1 512 . 17 1 1 A 44 44 ARG N N 41 127.617 127.488 0.129 1
1 513 . 17 1 1 A 45 45 LEU H H 42 8.494 8.749 -0.255 1
1 514 . 17 1 1 A 45 45 LEU HA H 42 4.480 4.443 0.037 1
1 524 . 17 1 1 A 45 45 LEU C C 42 179.893 178.577 1.316 1
1 525 . 17 1 1 A 45 45 LEU CA C 42 53.972 55.253 -1.281 1
1 526 . 17 1 1 A 45 45 LEU CB C 42 42.206 41.849 0.357 1
1 530 . 17 1 1 A 45 45 LEU N N 42 125.380 128.433 -3.053 1
1 531 . 17 1 1 A 46 46 ARG H H 43 9.223 8.775 0.448 1
1 532 . 17 1 1 A 46 46 ARG HA H 43 3.929 4.079 -0.150 1
1 539 . 17 1 1 A 46 46 ARG C C 43 177.114 176.922 0.192 1
1 540 . 17 1 1 A 46 46 ARG CA C 43 58.773 58.283 0.490 1
1 541 . 17 1 1 A 46 46 ARG CB C 43 29.688 29.885 -0.197 1
1 544 . 17 1 1 A 46 46 ARG N N 43 121.380 122.771 -1.391 1
1 545 . 17 1 1 A 47 47 ASP H H 44 7.727 7.986 -0.259 1
1 546 . 17 1 1 A 47 47 ASP HA H 44 4.373 4.566 -0.193 1
1 549 . 17 1 1 A 47 47 ASP C C 44 177.125 176.473 0.652 1
1 550 . 17 1 1 A 47 47 ASP CA C 44 53.256 54.454 -1.198 1
1 551 . 17 1 1 A 47 47 ASP CB C 44 39.993 41.693 -1.700 1
1 552 . 17 1 1 A 47 47 ASP N N 44 115.801 117.397 -1.596 1
1 553 . 17 1 1 A 48 48 GLY H H 45 7.878 7.479 0.399 1
1 554 . 17 1 1 A 48 48 GLY HA2 H 45 4.237 4.037 0.200 1
1 555 . 17 1 1 A 48 48 GLY HA3 H 45 3.531 4.038 -0.507 1
1 556 . 17 1 1 A 48 48 GLY C C 45 175.041 175.005 0.036 1
1 557 . 17 1 1 A 48 48 GLY CA C 45 45.289 45.449 -0.160 1
1 558 . 17 1 1 A 48 48 GLY N N 45 108.005 107.576 0.429 1
1 559 . 17 1 1 A 49 49 ARG H H 46 7.696 7.833 -0.137 1
1 560 . 17 1 1 A 49 49 ARG HA H 46 4.309 4.522 -0.213 1
1 567 . 17 1 1 A 49 49 ARG C C 46 174.199 175.136 -0.937 1
1 568 . 17 1 1 A 49 49 ARG CA C 46 55.909 56.063 -0.154 1
1 569 . 17 1 1 A 49 49 ARG CB C 46 31.226 32.323 -1.097 1
1 572 . 17 1 1 A 49 49 ARG N N 46 120.601 120.756 -0.155 1
1 573 . 17 1 1 A 50 50 GLU H H 47 8.885 8.650 0.235 1
1 574 . 17 1 1 A 50 50 GLU HA H 47 5.381 5.501 -0.120 1
1 579 . 17 1 1 A 50 50 GLU C C 47 175.590 175.517 0.073 1
1 580 . 17 1 1 A 50 50 GLU CA C 47 55.057 54.716 0.341 1
1 581 . 17 1 1 A 50 50 GLU CB C 47 35.650 34.455 1.195 1
1 583 . 17 1 1 A 50 50 GLU N N 47 116.439 118.651 -2.212 1
1 584 . 17 1 1 A 51 51 ASN H H 48 8.683 9.076 -0.393 1
1 585 . 17 1 1 A 51 51 ASN HA H 48 5.153 5.338 -0.185 1
1 590 . 17 1 1 A 51 51 ASN C C 48 173.562 172.643 0.919 1
1 591 . 17 1 1 A 51 51 ASN CA C 48 50.361 52.026 -1.665 1
1 592 . 17 1 1 A 51 51 ASN CB C 48 41.823 42.856 -1.033 1
1 593 . 17 1 1 A 51 51 ASN N N 48 114.752 118.036 -3.284 1
1 595 . 17 1 1 A 52 52 LEU H H 49 8.847 8.473 0.374 1
1 596 . 17 1 1 A 52 52 LEU HA H 49 5.274 4.980 0.294 1
1 606 . 17 1 1 A 52 52 LEU C C 49 174.213 173.874 0.339 1
1 607 . 17 1 1 A 52 52 LEU CA C 49 52.889 53.029 -0.140 1
1 608 . 17 1 1 A 52 52 LEU CB C 49 46.300 45.156 1.144 1
1 612 . 17 1 1 A 52 52 LEU N N 49 120.365 125.417 -5.052 1
1 613 . 17 1 1 A 53 53 TYR H H 50 9.641 9.077 0.564 1
1 614 . 17 1 1 A 53 53 TYR HA H 50 5.519 5.753 -0.234 1
1 621 . 17 1 1 A 53 53 TYR C C 50 175.473 175.450 0.023 1
1 622 . 17 1 1 A 53 53 TYR CA C 50 55.928 55.758 0.170 1
1 623 . 17 1 1 A 53 53 TYR CB C 50 40.076 43.094 -3.018 1
1 628 . 17 1 1 A 53 53 TYR N N 50 127.507 125.062 2.445 1
1 629 . 17 1 1 A 54 54 GLY H H 51 8.893 8.623 0.270 1
1 630 . 17 1 1 A 54 54 GLY HA2 H 51 4.687 3.704 0.983 1
1 631 . 17 1 1 A 54 54 GLY HA3 H 51 3.127 3.983 -0.856 1
1 632 . 17 1 1 A 54 54 GLY CA C 51 44.040 44.331 -0.291 1
1 633 . 17 1 1 A 54 54 GLY N N 51 108.518 109.825 -1.307 1
1 634 . 17 1 1 A 55 55 PRO HA H 52 3.849 3.758 0.091 1
1 641 . 17 1 1 A 55 55 PRO C C 52 176.695 176.380 0.315 1
1 642 . 17 1 1 A 55 55 PRO CA C 52 63.187 61.926 1.261 1
1 643 . 17 1 1 A 55 55 PRO CB C 52 32.096 31.221 0.875 1
1 646 . 17 1 1 A 56 56 ALA H H 53 7.675 7.829 -0.154 1
1 647 . 17 1 1 A 56 56 ALA HA H 53 4.242 4.629 -0.387 1
1 651 . 17 1 1 A 56 56 ALA CA C 53 49.506 50.493 -0.987 1
1 652 . 17 1 1 A 56 56 ALA CB C 53 18.096 17.818 0.278 1
1 653 . 17 1 1 A 56 56 ALA N N 53 126.695 125.284 1.411 1
1 654 . 17 1 1 A 57 57 PRO HA H 54 4.186 4.653 -0.467 1
1 661 . 17 1 1 A 57 57 PRO C C 54 179.368 176.980 2.388 1
1 662 . 17 1 1 A 57 57 PRO CA C 54 63.116 62.579 0.537 1
1 663 . 17 1 1 A 57 57 PRO CB C 54 31.747 31.228 0.519 1
1 666 . 17 1 1 A 58 58 GLN H H 55 8.278 8.336 -0.058 1
1 667 . 17 1 1 A 58 58 GLN HA H 55 4.083 4.263 -0.180 1
1 674 . 17 1 1 A 58 58 GLN C C 55 175.368 175.685 -0.317 1
1 675 . 17 1 1 A 58 58 GLN CA C 55 55.635 56.025 -0.390 1
1 676 . 17 1 1 A 58 58 GLN CB C 55 29.927 28.946 0.981 1
1 678 . 17 1 1 A 58 58 GLN N N 55 121.313 118.829 2.484 1
1 680 . 17 1 1 A 59 59 SER H H 56 8.182 8.592 -0.410 1
1 681 . 17 1 1 A 59 59 SER HA H 56 4.246 4.434 -0.188 1
1 684 . 17 1 1 A 59 59 SER C C 56 174.075 174.186 -0.111 1
1 685 . 17 1 1 A 59 59 SER CA C 56 57.667 58.396 -0.729 1
1 686 . 17 1 1 A 59 59 SER CB C 56 63.751 62.277 1.474 1
1 687 . 17 1 1 A 59 59 SER N N 56 117.615 119.329 -1.714 1
1 688 . 17 1 1 A 60 60 PHE H H 57 8.100 7.968 0.132 1
1 689 . 17 1 1 A 60 60 PHE HA H 57 4.493 5.348 -0.855 1
1 696 . 17 1 1 A 60 60 PHE C C 57 175.439 174.547 0.892 1
1 697 . 17 1 1 A 60 60 PHE CA C 57 57.622 55.417 2.205 1
1 698 . 17 1 1 A 60 60 PHE CB C 57 39.519 40.797 -1.278 1
1 703 . 17 1 1 A 60 60 PHE N N 57 121.890 123.633 -1.743 1
1 704 . 17 1 1 A 61 61 ALA H H 58 8.234 8.602 -0.368 1
1 705 . 17 1 1 A 61 61 ALA HA H 58 4.165 4.911 -0.746 1
1 709 . 17 1 1 A 61 61 ALA C C 58 179.286 177.101 2.185 1
1 710 . 17 1 1 A 61 61 ALA CA C 58 52.471 50.583 1.888 1
1 711 . 17 1 1 A 61 61 ALA CB C 58 19.444 21.222 -1.778 1
1 712 . 17 1 1 A 61 61 ALA N N 58 124.383 124.147 0.236 1
1 713 . 17 1 1 A 62 62 ASP H H 59 8.017 9.458 -1.441 1
1 714 . 17 1 1 A 62 62 ASP HA H 59 4.412 4.370 0.042 1
1 717 . 17 1 1 A 62 62 ASP C C 59 176.073 174.776 1.297 1
1 718 . 17 1 1 A 62 62 ASP CA C 59 54.360 55.314 -0.954 1
1 719 . 17 1 1 A 62 62 ASP CB C 59 41.213 39.962 1.251 1
1 720 . 17 1 1 A 62 62 ASP N N 59 118.579 124.163 -5.584 1
1 721 . 17 1 1 A 63 63 ASP H H 60 8.096 8.628 -0.532 1
1 722 . 17 1 1 A 63 63 ASP HA H 60 4.346 4.289 0.057 1
1 725 . 17 1 1 A 63 63 ASP C C 60 176.619 175.751 0.868 1
1 726 . 17 1 1 A 63 63 ASP CA C 60 54.714 55.707 -0.993 1
1 727 . 17 1 1 A 63 63 ASP CB C 60 40.801 39.096 1.705 1
1 728 . 17 1 1 A 63 63 ASP N N 60 119.530 112.704 6.826 1
1 729 . 17 1 1 A 64 64 GLU H H 61 8.109 7.952 0.157 1
1 730 . 17 1 1 A 64 64 GLU HA H 61 4.012 4.067 -0.055 1
1 735 . 17 1 1 A 64 64 GLU C C 61 176.652 178.968 -2.316 1
1 736 . 17 1 1 A 64 64 GLU CA C 61 57.301 59.039 -1.738 1
1 737 . 17 1 1 A 64 64 GLU CB C 61 30.107 29.170 0.937 1
1 739 . 17 1 1 A 64 64 GLU N N 61 120.050 118.486 1.564 1
1 740 . 17 1 1 A 65 65 ASP H H 62 8.062 8.273 -0.211 1
1 741 . 17 1 1 A 65 65 ASP HA H 62 4.369 4.346 0.023 1
1 744 . 17 1 1 A 65 65 ASP C C 62 177.458 178.709 -1.251 1
1 745 . 17 1 1 A 65 65 ASP CA C 62 54.645 56.621 -1.976 1
1 746 . 17 1 1 A 65 65 ASP CB C 62 40.896 40.530 0.366 1
1 747 . 17 1 1 A 65 65 ASP N N 62 120.211 120.283 -0.072 1
1 748 . 17 1 1 A 66 66 ILE H H 63 7.805 7.664 0.141 1
1 749 . 17 1 1 A 66 66 ILE HA H 63 3.708 3.734 -0.026 1
1 759 . 17 1 1 A 66 66 ILE C C 63 176.802 177.562 -0.760 1
1 760 . 17 1 1 A 66 66 ILE CA C 63 62.754 64.640 -1.886 1
1 761 . 17 1 1 A 66 66 ILE CB C 63 38.230 37.774 0.456 1
1 765 . 17 1 1 A 66 66 ILE N N 63 121.259 120.790 0.469 1
1 766 . 17 1 1 A 67 67 MET H H 64 7.950 7.821 0.129 1
1 767 . 17 1 1 A 67 67 MET HA H 64 4.229 4.683 -0.454 1
1 775 . 17 1 1 A 67 67 MET C C 64 176.724 176.764 -0.040 1
1 776 . 17 1 1 A 67 67 MET CA C 64 55.944 54.196 1.748 1
1 777 . 17 1 1 A 67 67 MET CB C 64 31.826 33.749 -1.923 1
1 780 . 17 1 1 A 67 67 MET N N 64 118.533 116.749 1.784 1
1 781 . 17 1 1 A 68 68 ARG H H 65 7.604 7.773 -0.169 1
1 782 . 17 1 1 A 68 68 ARG HA H 65 4.197 4.370 -0.173 1
1 789 . 17 1 1 A 68 68 ARG C C 65 175.530 176.203 -0.673 1
1 790 . 17 1 1 A 68 68 ARG CA C 65 56.028 57.184 -1.156 1
1 791 . 17 1 1 A 68 68 ARG CB C 65 30.760 31.607 -0.847 1
1 794 . 17 1 1 A 68 68 ARG N N 65 118.706 117.693 1.013 1
1 795 . 17 1 1 A 69 69 ALA H H 66 7.634 7.881 -0.247 1
1 796 . 17 1 1 A 69 69 ALA HA H 66 4.254 4.668 -0.414 1
1 800 . 17 1 1 A 69 69 ALA C C 66 176.846 177.301 -0.455 1
1 801 . 17 1 1 A 69 69 ALA CA C 66 51.905 50.899 1.006 1
1 802 . 17 1 1 A 69 69 ALA CB C 66 20.023 21.927 -1.904 1
1 803 . 17 1 1 A 69 69 ALA N N 66 123.528 120.508 3.020 1
1 804 . 17 1 1 A 70 70 GLU H H 67 8.192 8.318 -0.126 1
1 805 . 17 1 1 A 70 70 GLU HA H 67 4.228 4.425 -0.197 1
1 810 . 17 1 1 A 70 70 GLU C C 67 176.333 176.612 -0.279 1
1 811 . 17 1 1 A 70 70 GLU CA C 67 55.928 55.636 0.292 1
1 812 . 17 1 1 A 70 70 GLU CB C 67 30.769 30.736 0.033 1
1 814 . 17 1 1 A 70 70 GLU N N 67 120.599 118.135 2.464 1
1 815 . 17 1 1 A 71 71 ARG H H 68 8.674 8.460 0.214 1
1 816 . 17 1 1 A 71 71 ARG HA H 68 3.696 4.742 -1.046 1
1 823 . 17 1 1 A 71 71 ARG C C 68 175.422 174.627 0.795 1
1 824 . 17 1 1 A 71 71 ARG CA C 68 56.964 55.668 1.296 1
1 825 . 17 1 1 A 71 71 ARG CB C 68 30.886 31.234 -0.348 1
1 828 . 17 1 1 A 71 71 ARG N N 68 123.533 119.272 4.261 1
1 829 . 17 1 1 A 72 72 ARG H H 69 7.660 8.595 -0.935 1
1 830 . 17 1 1 A 72 72 ARG HA H 69 4.642 5.240 -0.598 1
1 837 . 17 1 1 A 72 72 ARG C C 69 175.051 175.176 -0.125 1
1 838 . 17 1 1 A 72 72 ARG CA C 69 54.297 54.295 0.002 1
1 839 . 17 1 1 A 72 72 ARG CB C 69 33.555 33.949 -0.394 1
1 842 . 17 1 1 A 72 72 ARG N N 69 120.057 121.253 -1.196 1
1 843 . 17 1 1 A 73 73 PHE H H 70 8.714 8.778 -0.064 1
1 844 . 17 1 1 A 73 73 PHE HA H 70 5.020 5.076 -0.056 1
1 852 . 17 1 1 A 73 73 PHE C C 70 173.159 174.761 -1.602 1
1 853 . 17 1 1 A 73 73 PHE CA C 70 57.359 57.089 0.270 1
1 854 . 17 1 1 A 73 73 PHE CB C 70 43.426 42.510 0.916 1
1 860 . 17 1 1 A 73 73 PHE N N 70 119.519 123.215 -3.696 1
1 861 . 17 1 1 A 74 74 GLU H H 71 9.404 9.141 0.263 1
1 862 . 17 1 1 A 74 74 GLU HA H 71 4.996 5.115 -0.119 1
1 867 . 17 1 1 A 74 74 GLU C C 71 175.559 174.846 0.713 1
1 868 . 17 1 1 A 74 74 GLU CA C 71 52.975 54.767 -1.792 1
1 869 . 17 1 1 A 74 74 GLU CB C 71 33.399 33.747 -0.348 1
1 871 . 17 1 1 A 74 74 GLU N N 71 117.679 118.129 -0.450 1
1 872 . 17 1 1 A 75 75 THR H H 72 9.801 9.078 0.723 1
1 873 . 17 1 1 A 75 75 THR HA H 72 4.108 4.734 -0.626 1
1 878 . 17 1 1 A 75 75 THR C C 72 175.065 174.072 0.993 1
1 879 . 17 1 1 A 75 75 THR CA C 72 64.296 62.359 1.937 1
1 880 . 17 1 1 A 75 75 THR CB C 72 67.635 68.832 -1.197 1
1 882 . 17 1 1 A 75 75 THR N N 72 122.320 117.975 4.345 1
1 883 . 17 1 1 A 76 76 ARG H H 73 9.150 8.913 0.237 1
1 884 . 17 1 1 A 76 76 ARG HA H 73 4.283 4.363 -0.080 1
1 892 . 17 1 1 A 76 76 ARG C C 73 176.574 176.576 -0.002 1
1 893 . 17 1 1 A 76 76 ARG CA C 73 55.858 57.919 -2.061 1
1 894 . 17 1 1 A 76 76 ARG CB C 73 30.930 30.966 -0.036 1
1 897 . 17 1 1 A 76 76 ARG N N 73 127.709 127.746 -0.037 1
1 899 . 17 1 1 A 77 77 LEU H H 74 7.520 7.291 0.229 1
1 900 . 17 1 1 A 77 77 LEU HA H 74 4.480 4.883 -0.403 1
1 910 . 17 1 1 A 77 77 LEU C C 74 174.509 175.286 -0.777 1
1 911 . 17 1 1 A 77 77 LEU CA C 74 54.222 53.173 1.049 1
1 912 . 17 1 1 A 77 77 LEU CB C 74 47.315 46.052 1.263 1
1 916 . 17 1 1 A 77 77 LEU N N 74 117.021 117.617 -0.596 1
1 917 . 17 1 1 A 78 78 ALA H H 75 8.600 8.421 0.179 1
1 918 . 17 1 1 A 78 78 ALA HA H 75 4.999 4.901 0.098 1
1 922 . 17 1 1 A 78 78 ALA C C 75 176.343 177.035 -0.692 1
1 923 . 17 1 1 A 78 78 ALA CA C 75 50.324 51.773 -1.449 1
1 924 . 17 1 1 A 78 78 ALA CB C 75 21.074 22.362 -1.288 1
1 925 . 17 1 1 A 78 78 ALA N N 75 124.663 122.066 2.597 1
1 926 . 17 1 1 A 79 79 GLY H H 76 8.730 8.683 0.047 1
1 927 . 17 1 1 A 79 79 GLY HA2 H 76 3.706 3.836 -0.130 1
1 928 . 17 1 1 A 79 79 GLY HA3 H 76 3.306 3.838 -0.532 1
1 929 . 17 1 1 A 79 79 GLY C C 76 175.173 173.971 1.202 1
1 930 . 17 1 1 A 79 79 GLY CA C 76 47.520 46.259 1.261 1
1 931 . 17 1 1 A 79 79 GLY N N 76 114.411 111.021 3.390 1
1 932 . 17 1 1 A 80 80 VAL H H 77 8.380 7.730 0.650 1
1 933 . 17 1 1 A 80 80 VAL HA H 77 4.643 4.436 0.207 1
1 941 . 17 1 1 A 80 80 VAL C C 77 175.208 175.140 0.068 1
1 942 . 17 1 1 A 80 80 VAL CA C 77 59.289 60.342 -1.053 1
1 943 . 17 1 1 A 80 80 VAL CB C 77 34.226 33.724 0.502 1
1 946 . 17 1 1 A 80 80 VAL N N 77 112.611 117.961 -5.350 1
1 947 . 17 1 1 A 81 81 GLU H H 78 8.415 8.477 -0.062 1
1 948 . 17 1 1 A 81 81 GLU HA H 78 4.451 4.648 -0.197 1
1 953 . 17 1 1 A 81 81 GLU C C 78 178.955 178.143 0.812 1
1 954 . 17 1 1 A 81 81 GLU CA C 78 55.631 54.647 0.984 1
1 955 . 17 1 1 A 81 81 GLU CB C 78 30.535 30.970 -0.435 1
1 957 . 17 1 1 A 81 81 GLU N N 78 117.186 119.660 -2.474 1
1 958 . 17 1 1 A 82 82 GLY H H 79 8.834 8.832 0.002 1
1 959 . 17 1 1 A 82 82 GLY HA2 H 79 3.810 3.871 -0.061 1
1 960 . 17 1 1 A 82 82 GLY HA3 H 79 3.518 3.872 -0.354 1
1 961 . 17 1 1 A 82 82 GLY C C 79 176.446 175.509 0.937 1
1 962 . 17 1 1 A 82 82 GLY CA C 79 47.629 46.928 0.701 1
1 963 . 17 1 1 A 82 82 GLY N N 79 109.312 108.053 1.259 1
1 964 . 17 1 1 A 83 83 GLU H H 80 8.747 7.958 0.789 1
1 965 . 17 1 1 A 83 83 GLU HA H 80 3.972 4.122 -0.150 1
1 970 . 17 1 1 A 83 83 GLU C C 80 179.046 179.464 -0.418 1
1 971 . 17 1 1 A 83 83 GLU CA C 80 59.403 58.963 0.440 1
1 972 . 17 1 1 A 83 83 GLU CB C 80 29.005 29.026 -0.021 1
1 974 . 17 1 1 A 83 83 GLU N N 80 119.416 120.827 -1.411 1
1 975 . 17 1 1 A 84 84 GLU H H 81 7.588 7.788 -0.200 1
1 976 . 17 1 1 A 84 84 GLU HA H 81 4.003 4.088 -0.085 1
1 981 . 17 1 1 A 84 84 GLU C C 81 179.682 179.393 0.289 1
1 982 . 17 1 1 A 84 84 GLU CA C 81 59.213 59.300 -0.087 1
1 983 . 17 1 1 A 84 84 GLU CB C 81 29.473 29.695 -0.222 1
1 985 . 17 1 1 A 84 84 GLU N N 81 120.110 119.513 0.597 1
1 986 . 17 1 1 A 85 85 ILE H H 82 6.936 7.850 -0.914 1
1 987 . 17 1 1 A 85 85 ILE HA H 82 3.356 3.563 -0.207 1
1 997 . 17 1 1 A 85 85 ILE C C 82 177.308 177.964 -0.656 1
1 998 . 17 1 1 A 85 85 ILE CA C 82 64.055 65.863 -1.808 1
1 999 . 17 1 1 A 85 85 ILE CB C 82 36.836 38.039 -1.203 1
1 1003 . 17 1 1 A 85 85 ILE N N 82 120.268 121.561 -1.293 1
1 1004 . 17 1 1 A 86 86 ALA H H 83 8.292 8.315 -0.023 1
1 1005 . 17 1 1 A 86 86 ALA HA H 83 3.787 4.018 -0.231 1
1 1009 . 17 1 1 A 86 86 ALA C C 83 180.345 179.810 0.535 1
1 1010 . 17 1 1 A 86 86 ALA CA C 83 55.103 54.869 0.234 1
1 1011 . 17 1 1 A 86 86 ALA CB C 83 17.928 18.185 -0.257 1
1 1012 . 17 1 1 A 86 86 ALA N N 83 121.052 121.376 -0.324 1
1 1013 . 17 1 1 A 87 87 ALA H H 84 7.516 7.714 -0.198 1
1 1014 . 17 1 1 A 87 87 ALA HA H 84 4.006 4.096 -0.090 1
1 1018 . 17 1 1 A 87 87 ALA C C 84 180.272 179.357 0.915 1
1 1019 . 17 1 1 A 87 87 ALA CA C 84 54.765 55.053 -0.288 1
1 1020 . 17 1 1 A 87 87 ALA CB C 84 17.949 18.299 -0.350 1
1 1021 . 17 1 1 A 87 87 ALA N N 84 119.052 120.003 -0.951 1
1 1022 . 17 1 1 A 88 88 LEU H H 85 7.285 7.443 -0.158 1
1 1023 . 17 1 1 A 88 88 LEU HA H 85 4.042 4.145 -0.103 1
1 1033 . 17 1 1 A 88 88 LEU C C 85 174.921 178.520 -3.599 1
1 1034 . 17 1 1 A 88 88 LEU CA C 85 58.290 57.178 1.112 1
1 1035 . 17 1 1 A 88 88 LEU CB C 85 41.610 42.434 -0.824 1
1 1039 . 17 1 1 A 88 88 LEU N N 85 121.211 119.305 1.906 1
1 1040 . 17 1 1 A 89 89 LEU H H 86 8.472 8.139 0.333 1
1 1041 . 17 1 1 A 89 89 LEU HA H 86 3.486 3.674 -0.188 1
1 1051 . 17 1 1 A 89 89 LEU C C 86 178.855 179.563 -0.708 1
1 1052 . 17 1 1 A 89 89 LEU CA C 86 57.476 57.737 -0.261 1
1 1053 . 17 1 1 A 89 89 LEU CB C 86 41.478 41.421 0.057 1
1 1057 . 17 1 1 A 89 89 LEU N N 86 118.740 118.451 0.289 1
1 1058 . 17 1 1 A 90 90 GLU H H 87 7.926 8.770 -0.844 1
1 1059 . 17 1 1 A 90 90 GLU HA H 87 3.726 3.965 -0.239 1
1 1064 . 17 1 1 A 90 90 GLU C C 87 178.738 178.725 0.013 1
1 1065 . 17 1 1 A 90 90 GLU CA C 87 59.511 58.921 0.590 1
1 1066 . 17 1 1 A 90 90 GLU CB C 87 28.855 29.011 -0.156 1
1 1068 . 17 1 1 A 90 90 GLU N N 87 119.669 117.650 2.019 1
1 1069 . 17 1 1 A 91 91 ARG H H 88 7.069 7.784 -0.715 1
1 1070 . 17 1 1 A 91 91 ARG HA H 88 3.762 4.117 -0.355 1
1 1077 . 17 1 1 A 91 91 ARG C C 88 178.920 179.374 -0.454 1
1 1078 . 17 1 1 A 91 91 ARG CA C 88 59.544 59.570 -0.026 1
1 1079 . 17 1 1 A 91 91 ARG CB C 88 29.723 30.578 -0.855 1
1 1082 . 17 1 1 A 91 91 ARG N N 88 119.088 119.441 -0.353 1
1 1083 . 17 1 1 A 92 92 GLU H H 89 8.170 8.176 -0.006 1
1 1084 . 17 1 1 A 92 92 GLU HA H 89 4.021 4.160 -0.139 1
1 1089 . 17 1 1 A 92 92 GLU C C 89 180.250 179.369 0.881 1
1 1090 . 17 1 1 A 92 92 GLU CA C 89 58.661 59.135 -0.474 1
1 1091 . 17 1 1 A 92 92 GLU CB C 89 28.073 29.316 -1.243 1
1 1093 . 17 1 1 A 92 92 GLU N N 89 117.768 119.601 -1.833 1
1 1094 . 17 1 1 A 93 93 ARG H H 90 8.355 8.002 0.353 1
1 1095 . 17 1 1 A 93 93 ARG HA H 90 4.003 4.230 -0.227 1
1 1102 . 17 1 1 A 93 93 ARG C C 90 177.592 178.637 -1.045 1
1 1103 . 17 1 1 A 93 93 ARG CA C 90 57.744 59.027 -1.283 1
1 1104 . 17 1 1 A 93 93 ARG CB C 90 30.325 29.708 0.617 1
1 1107 . 17 1 1 A 93 93 ARG N N 90 119.179 119.006 0.173 1
1 1108 . 17 1 1 A 94 94 ARG H H 91 7.232 7.559 -0.327 1
1 1109 . 17 1 1 A 94 94 ARG HA H 91 3.788 3.907 -0.119 1
1 1116 . 17 1 1 A 94 94 ARG C C 91 177.986 178.787 -0.801 1
1 1117 . 17 1 1 A 94 94 ARG CA C 91 58.462 58.827 -0.365 1
1 1118 . 17 1 1 A 94 94 ARG CB C 91 29.565 29.472 0.093 1
1 1121 . 17 1 1 A 94 94 ARG N N 91 118.441 119.892 -1.451 1
1 1122 . 17 1 1 A 95 95 PHE H H 92 7.048 7.662 -0.614 1
1 1123 . 17 1 1 A 95 95 PHE HA H 92 4.474 4.308 0.166 1
1 1128 . 17 1 1 A 95 95 PHE C C 92 175.728 175.504 0.224 1
1 1129 . 17 1 1 A 95 95 PHE CA C 92 58.210 59.859 -1.649 1
1 1130 . 17 1 1 A 95 95 PHE CB C 92 39.724 39.390 0.334 1
1 1133 . 17 1 1 A 95 95 PHE N N 92 115.951 117.099 -1.148 1
1 1134 . 17 1 1 A 96 96 ASP H H 93 7.793 8.176 -0.383 1
1 1135 . 17 1 1 A 96 96 ASP HA H 93 4.703 4.969 -0.266 1
1 1138 . 17 1 1 A 96 96 ASP C C 93 179.474 175.886 3.588 1
1 1139 . 17 1 1 A 96 96 ASP CA C 93 53.103 53.466 -0.363 1
1 1140 . 17 1 1 A 96 96 ASP CB C 93 41.634 42.348 -0.714 1
1 1141 . 17 1 1 A 96 96 ASP N N 93 119.328 117.697 1.631 1
1 1142 . 17 1 1 A 97 97 SER H H 94 8.490 8.970 -0.480 1
1 1143 . 17 1 1 A 97 97 SER HA H 94 4.204 4.483 -0.279 1
1 1146 . 17 1 1 A 97 97 SER C C 94 175.549 174.781 0.768 1
1 1147 . 17 1 1 A 97 97 SER CA C 94 60.047 59.509 0.538 1
1 1148 . 17 1 1 A 97 97 SER CB C 94 63.408 62.997 0.411 1
1 1149 . 17 1 1 A 97 97 SER N N 94 118.740 120.724 -1.984 1
1 1150 . 17 1 1 A 98 98 ASP H H 95 8.229 8.104 0.125 1
1 1151 . 17 1 1 A 98 98 ASP HA H 95 4.684 4.564 0.120 1
1 1154 . 17 1 1 A 98 98 ASP C C 95 175.547 176.427 -0.880 1
1 1155 . 17 1 1 A 98 98 ASP CA C 95 54.380 54.108 0.272 1
1 1156 . 17 1 1 A 98 98 ASP CB C 95 42.267 39.819 2.448 1
1 1157 . 17 1 1 A 98 98 ASP N N 95 121.306 117.430 3.876 1
1 1158 . 17 1 1 A 99 99 LEU H H 96 6.613 7.502 -0.889 1
1 1159 . 17 1 1 A 99 99 LEU HA H 96 4.801 5.143 -0.342 1
1 1169 . 17 1 1 A 99 99 LEU C C 96 176.224 176.304 -0.080 1
1 1170 . 17 1 1 A 99 99 LEU CA C 96 55.691 53.883 1.808 1
1 1171 . 17 1 1 A 99 99 LEU CB C 96 42.272 43.687 -1.415 1
1 1175 . 17 1 1 A 99 99 LEU N N 96 117.774 116.695 1.079 1
1 1176 . 17 1 1 A 100 100 TRP H H 97 9.750 9.354 0.396 1
1 1177 . 17 1 1 A 100 100 TRP HA H 97 4.757 5.526 -0.769 1
1 1186 . 17 1 1 A 100 100 TRP C C 97 176.737 175.645 1.092 1
1 1187 . 17 1 1 A 100 100 TRP CA C 97 55.634 55.843 -0.209 1
1 1188 . 17 1 1 A 100 100 TRP CB C 97 31.794 32.870 -1.076 1
1 1194 . 17 1 1 A 100 100 TRP N N 97 120.649 120.024 0.625 1
1 1196 . 17 1 1 A 101 101 VAL H H 98 9.096 8.894 0.202 1
1 1197 . 17 1 1 A 101 101 VAL HA H 98 5.018 5.436 -0.418 1
1 1205 . 17 1 1 A 101 101 VAL C C 98 175.816 174.640 1.176 1
1 1206 . 17 1 1 A 101 101 VAL CA C 98 61.998 61.414 0.584 1
1 1207 . 17 1 1 A 101 101 VAL CB C 98 34.180 33.713 0.467 1
1 1210 . 17 1 1 A 101 101 VAL N N 98 117.960 122.548 -4.588 1
1 1211 . 17 1 1 A 102 102 VAL H H 99 9.113 8.922 0.191 1
1 1212 . 17 1 1 A 102 102 VAL HA H 99 4.546 4.805 -0.259 1
1 1220 . 17 1 1 A 102 102 VAL C C 99 173.388 174.921 -1.533 1
1 1221 . 17 1 1 A 102 102 VAL CA C 99 60.987 61.246 -0.259 1
1 1222 . 17 1 1 A 102 102 VAL CB C 99 34.654 33.888 0.766 1
1 1225 . 17 1 1 A 102 102 VAL N N 99 129.775 128.481 1.294 1
1 1226 . 17 1 1 A 103 103 GLU H H 100 9.226 8.623 0.603 1
1 1227 . 17 1 1 A 103 103 GLU HA H 100 5.376 4.682 0.694 1
1 1232 . 17 1 1 A 103 103 GLU C C 100 175.058 176.135 -1.077 1
1 1233 . 17 1 1 A 103 103 GLU CA C 100 54.158 55.916 -1.758 1
1 1234 . 17 1 1 A 103 103 GLU CB C 100 31.835 30.039 1.796 1
1 1236 . 17 1 1 A 103 103 GLU N N 100 128.249 127.096 1.153 1
1 1237 . 17 1 1 A 104 104 ILE H H 101 9.141 8.914 0.227 1
1 1238 . 17 1 1 A 104 104 ILE HA H 101 5.021 5.181 -0.160 1
1 1248 . 17 1 1 A 104 104 ILE C C 101 173.727 174.417 -0.690 1
1 1249 . 17 1 1 A 104 104 ILE CA C 101 59.226 59.637 -0.411 1
1 1250 . 17 1 1 A 104 104 ILE CB C 101 42.192 39.825 2.367 1
1 1254 . 17 1 1 A 104 104 ILE N N 101 118.638 121.594 -2.956 1
1 1255 . 17 1 1 A 105 105 GLU H H 102 9.018 9.000 0.018 1
1 1256 . 17 1 1 A 105 105 GLU HA H 102 4.800 5.014 -0.214 1
1 1261 . 17 1 1 A 105 105 GLU C C 102 174.832 175.517 -0.685 1
1 1262 . 17 1 1 A 105 105 GLU CA C 102 55.362 55.010 0.352 1
1 1263 . 17 1 1 A 105 105 GLU CB C 102 31.160 31.593 -0.433 1
1 1265 . 17 1 1 A 105 105 GLU N N 102 125.842 124.660 1.182 1
1 1266 . 17 1 1 A 106 106 THR H H 103 7.678 8.340 -0.662 1
1 1267 . 17 1 1 A 106 106 THR HA H 103 4.424 4.918 -0.494 1
1 1272 . 17 1 1 A 106 106 THR C C 103 172.175 173.602 -1.427 1
1 1273 . 17 1 1 A 106 106 THR CA C 103 60.772 60.361 0.411 1
1 1274 . 17 1 1 A 106 106 THR CB C 103 67.599 70.077 -2.478 1
1 1276 . 17 1 1 A 106 106 THR N N 103 118.569 120.410 -1.841 1
1 1277 . 17 1 1 A 107 107 ASP H H 104 8.400 9.026 -0.626 1
1 1278 . 17 1 1 A 107 107 ASP HA H 104 4.635 4.549 0.086 1
1 1281 . 17 1 1 A 107 107 ASP C C 104 176.214 176.061 0.153 1
1 1282 . 17 1 1 A 107 107 ASP CA C 104 55.771 56.693 -0.922 1
1 1283 . 17 1 1 A 107 107 ASP CB C 104 41.463 41.446 0.017 1
1 1284 . 17 1 1 A 107 107 ASP N N 104 125.388 124.631 0.757 1
1 1285 . 17 1 1 A 108 108 GLU H H 105 7.995 7.301 0.694 1
1 1286 . 17 1 1 A 108 108 GLU HA H 105 4.524 4.745 -0.221 1
1 1291 . 17 1 1 A 108 108 GLU C C 105 175.340 175.969 -0.629 1
1 1292 . 17 1 1 A 108 108 GLU CA C 105 54.564 54.389 0.175 1
1 1293 . 17 1 1 A 108 108 GLU CB C 105 30.953 31.909 -0.956 1
1 1295 . 17 1 1 A 108 108 GLU N N 105 120.222 113.396 6.826 1
1 1296 . 17 1 1 A 109 109 ILE H H 106 8.389 8.547 -0.158 1
1 1297 . 17 1 1 A 109 109 ILE HA H 106 3.853 4.203 -0.350 1
1 1307 . 17 1 1 A 109 109 ILE C C 106 176.324 177.601 -1.277 1
1 1308 . 17 1 1 A 109 109 ILE CA C 106 60.148 61.710 -1.562 1
1 1309 . 17 1 1 A 109 109 ILE CB C 106 38.950 41.051 -2.101 1
1 1313 . 17 1 1 A 109 109 ILE N N 106 124.088 121.339 2.749 1
1 1314 . 17 1 1 A 110 110 GLY H H 107 8.534 8.499 0.035 1
1 1315 . 17 1 1 A 110 110 GLY HA2 H 107 3.744 3.660 0.084 1
1 1316 . 17 1 1 A 110 110 GLY HA3 H 107 3.705 3.682 0.023 1
1 1317 . 17 1 1 A 110 110 GLY C C 107 175.021 176.026 -1.005 1
1 1318 . 17 1 1 A 110 110 GLY CA C 107 46.530 47.503 -0.973 1
1 1319 . 17 1 1 A 110 110 GLY N N 107 109.224 109.341 -0.117 1
1 1320 . 17 1 1 A 111 111 THR H H 108 7.892 7.544 0.348 1
1 1321 . 17 1 1 A 111 111 THR HA H 108 4.255 4.108 0.147 1
1 1326 . 17 1 1 A 111 111 THR C C 108 175.417 175.255 0.162 1
1 1327 . 17 1 1 A 111 111 THR CA C 108 61.287 64.797 -3.510 1
1 1328 . 17 1 1 A 111 111 THR CB C 108 68.657 68.839 -0.182 1
1 1330 . 17 1 1 A 111 111 THR N N 108 111.278 116.786 -5.508 1
1 1331 . 17 1 1 A 112 112 LEU H H 109 7.950 7.262 0.688 1
1 1332 . 17 1 1 A 112 112 LEU HA H 109 3.887 4.646 -0.759 1
1 1342 . 17 1 1 A 112 112 LEU C C 109 175.715 176.013 -0.298 1
1 1343 . 17 1 1 A 112 112 LEU CA C 109 56.661 54.229 2.432 1
1 1344 . 17 1 1 A 112 112 LEU CB C 109 43.310 43.463 -0.153 1
1 1348 . 17 1 1 A 112 112 LEU N N 109 122.017 114.400 7.617 1
1 1349 . 17 1 1 A 113 113 LEU H H 110 7.003 7.262 -0.259 1
1 1350 . 17 1 1 A 113 113 LEU HA H 110 4.327 4.596 -0.269 1
1 1360 . 17 1 1 A 113 113 LEU C C 110 175.563 173.753 1.810 1
1 1361 . 17 1 1 A 113 113 LEU CA C 110 52.377 54.420 -2.043 1
1 1362 . 17 1 1 A 113 113 LEU CB C 110 44.890 45.364 -0.474 1
1 1366 . 17 1 1 A 113 113 LEU N N 110 113.184 120.148 -6.964 1
1 1367 . 17 1 1 A 114 114 THR H H 111 9.101 8.763 0.338 1
1 1368 . 17 1 1 A 114 114 THR HA H 111 4.079 4.953 -0.874 1
1 1373 . 17 1 1 A 114 114 THR C C 111 173.117 174.046 -0.929 1
1 1374 . 17 1 1 A 114 114 THR CA C 111 62.838 61.992 0.846 1
1 1375 . 17 1 1 A 114 114 THR CB C 111 68.245 69.971 -1.726 1
1 1377 . 17 1 1 A 114 114 THR N N 111 119.602 122.366 -2.764 1
1 1378 . 17 1 1 A 115 115 LEU H H 112 8.461 8.772 -0.311 1
1 1379 . 17 1 1 A 115 115 LEU HA H 112 4.985 5.392 -0.407 1
1 1389 . 17 1 1 A 115 115 LEU C C 112 178.488 176.859 1.629 1
1 1390 . 17 1 1 A 115 115 LEU CA C 112 52.953 53.650 -0.697 1
1 1391 . 17 1 1 A 115 115 LEU CB C 112 43.316 45.365 -2.049 1
1 1395 . 17 1 1 A 115 115 LEU N N 112 129.372 127.177 2.195 1
1 1396 . 17 1 1 A 116 116 VAL H H 113 8.550 8.916 -0.366 1
1 1397 . 17 1 1 A 116 116 VAL HA H 113 4.141 4.000 0.141 1
1 1405 . 17 1 1 A 116 116 VAL C C 113 175.638 177.386 -1.748 1
1 1406 . 17 1 1 A 116 116 VAL CA C 113 61.559 64.613 -3.054 1
1 1407 . 17 1 1 A 116 116 VAL CB C 113 32.128 31.936 0.192 1
1 1410 . 17 1 1 A 116 116 VAL N N 113 117.300 120.177 -2.877 1
1 1411 . 17 1 1 A 117 117 ASP H H 114 8.095 8.044 0.051 1
1 1412 . 17 1 1 A 117 117 ASP HA H 114 4.561 4.464 0.097 1
1 1415 . 17 1 1 A 117 117 ASP C C 114 175.610 176.688 -1.078 1
1 1416 . 17 1 1 A 117 117 ASP CA C 114 53.586 57.271 -3.685 1
1 1417 . 17 1 1 A 117 117 ASP CB C 114 41.131 41.341 -0.210 1
1 1418 . 17 1 1 A 117 117 ASP N N 114 121.410 121.602 -0.192 1
1 1419 . 17 1 1 A 118 118 GLN H H 115 8.048 7.867 0.181 1
1 1420 . 17 1 1 A 118 118 GLN HA H 115 4.539 4.479 0.060 1
1 1427 . 17 1 1 A 118 118 GLN CA C 115 53.464 54.402 -0.938 1
1 1428 . 17 1 1 A 118 118 GLN CB C 115 29.143 28.206 0.937 1
1 1430 . 17 1 1 A 118 118 GLN N N 115 120.387 118.343 2.044 1
1 1432 . 17 1 1 A 119 119 PRO HA H 116 4.314 4.536 -0.222 1
1 1439 . 17 1 1 A 119 119 PRO C C 116 176.819 177.380 -0.561 1
1 1440 . 17 1 1 A 119 119 PRO CA C 116 63.073 62.651 0.422 1
1 1441 . 17 1 1 A 119 119 PRO CB C 116 32.117 32.625 -0.508 1
1 1444 . 17 1 1 A 120 120 GLN H H 117 8.404 8.666 -0.262 1
1 1445 . 17 1 1 A 120 120 GLN HA H 117 4.172 3.976 0.196 1
1 1452 . 17 1 1 A 120 120 GLN C C 117 174.745 176.829 -2.084 1
1 1453 . 17 1 1 A 120 120 GLN CA C 117 55.531 59.260 -3.729 1
1 1454 . 17 1 1 A 120 120 GLN CB C 117 29.529 28.484 1.045 1
1 1456 . 17 1 1 A 120 120 GLN N N 117 121.403 121.490 -0.087 1
1 14 . 18 1 1 A 5 5 ARG H H 2 8.281 7.806 0.475 1
1 15 . 18 1 1 A 5 5 ARG HA H 2 4.126 3.871 0.255 1
1 22 . 18 1 1 A 5 5 ARG C C 2 176.387 175.005 1.382 1
1 23 . 18 1 1 A 5 5 ARG CA C 2 56.556 56.888 -0.332 1
1 24 . 18 1 1 A 5 5 ARG CB C 2 30.698 27.909 2.789 1
1 27 . 18 1 1 A 5 5 ARG N N 2 123.269 117.246 6.023 1
1 28 . 18 1 1 A 6 6 LEU H H 3 8.527 7.728 0.799 1
1 29 . 18 1 1 A 6 6 LEU HA H 3 4.414 5.033 -0.619 1
1 39 . 18 1 1 A 6 6 LEU C C 3 178.040 175.927 2.113 1
1 40 . 18 1 1 A 6 6 LEU CA C 3 54.270 52.572 1.698 1
1 41 . 18 1 1 A 6 6 LEU CB C 3 43.612 45.585 -1.973 1
1 45 . 18 1 1 A 6 6 LEU N N 3 125.588 114.940 10.648 1
1 46 . 18 1 1 A 7 7 LYS H H 4 8.646 8.690 -0.044 1
1 47 . 18 1 1 A 7 7 LYS HA H 4 4.524 4.346 0.178 1
1 56 . 18 1 1 A 7 7 LYS C C 4 178.029 178.367 -0.338 1
1 57 . 18 1 1 A 7 7 LYS CA C 4 57.051 56.217 0.834 1
1 58 . 18 1 1 A 7 7 LYS CB C 4 32.877 33.262 -0.385 1
1 62 . 18 1 1 A 7 7 LYS N N 4 123.765 120.327 3.438 1
1 63 . 18 1 1 A 8 8 SER H H 5 8.316 8.566 -0.250 1
1 64 . 18 1 1 A 8 8 SER HA H 5 3.720 3.994 -0.274 1
1 67 . 18 1 1 A 8 8 SER C C 5 174.858 176.213 -1.355 1
1 68 . 18 1 1 A 8 8 SER CA C 5 63.553 61.772 1.781 1
1 69 . 18 1 1 A 8 8 SER CB C 5 62.382 62.861 -0.479 1
1 70 . 18 1 1 A 8 8 SER N N 5 122.163 117.231 4.932 1
1 71 . 18 1 1 A 9 9 GLU H H 6 8.913 8.131 0.782 1
1 72 . 18 1 1 A 9 9 GLU HA H 6 3.401 2.945 0.456 1
1 77 . 18 1 1 A 9 9 GLU C C 6 177.494 178.498 -1.004 1
1 78 . 18 1 1 A 9 9 GLU CA C 6 59.824 58.675 1.149 1
1 79 . 18 1 1 A 9 9 GLU CB C 6 29.780 29.114 0.666 1
1 81 . 18 1 1 A 9 9 GLU N N 6 118.372 121.461 -3.089 1
1 82 . 18 1 1 A 10 10 MET H H 7 6.642 8.006 -1.364 1
1 83 . 18 1 1 A 10 10 MET HA H 7 4.200 4.157 0.043 1
1 91 . 18 1 1 A 10 10 MET C C 7 178.173 178.221 -0.048 1
1 92 . 18 1 1 A 10 10 MET CA C 7 57.360 58.254 -0.894 1
1 93 . 18 1 1 A 10 10 MET CB C 7 32.761 32.183 0.578 1
1 96 . 18 1 1 A 10 10 MET N N 7 117.318 119.061 -1.743 1
1 97 . 18 1 1 A 11 11 PHE H H 8 8.432 7.859 0.573 1
1 98 . 18 1 1 A 11 11 PHE HA H 8 3.718 4.025 -0.307 1
1 105 . 18 1 1 A 11 11 PHE C C 8 177.603 177.146 0.457 1
1 106 . 18 1 1 A 11 11 PHE CA C 8 61.845 61.559 0.286 1
1 107 . 18 1 1 A 11 11 PHE CB C 8 38.595 39.133 -0.538 1
1 112 . 18 1 1 A 11 11 PHE N N 8 122.099 121.189 0.910 1
1 113 . 18 1 1 A 12 12 VAL H H 9 8.133 8.129 0.004 1
1 114 . 18 1 1 A 12 12 VAL HA H 9 3.021 3.532 -0.511 1
1 122 . 18 1 1 A 12 12 VAL C C 9 176.668 177.973 -1.305 1
1 123 . 18 1 1 A 12 12 VAL CA C 9 67.353 66.517 0.836 1
1 124 . 18 1 1 A 12 12 VAL CB C 9 31.238 31.376 -0.138 1
1 127 . 18 1 1 A 12 12 VAL N N 9 119.317 119.334 -0.017 1
1 128 . 18 1 1 A 13 13 SER H H 10 7.750 7.702 0.048 1
1 129 . 18 1 1 A 13 13 SER HA H 10 3.905 4.039 -0.134 1
1 132 . 18 1 1 A 13 13 SER C C 10 176.947 176.610 0.337 1
1 133 . 18 1 1 A 13 13 SER CA C 10 61.775 61.950 -0.175 1
1 134 . 18 1 1 A 13 13 SER CB C 10 62.483 62.757 -0.274 1
1 135 . 18 1 1 A 13 13 SER N N 10 114.115 115.054 -0.939 1
1 136 . 18 1 1 A 14 14 ALA H H 11 7.776 8.013 -0.237 1
1 137 . 18 1 1 A 14 14 ALA HA H 11 3.860 4.119 -0.259 1
1 141 . 18 1 1 A 14 14 ALA C C 11 179.154 179.709 -0.555 1
1 142 . 18 1 1 A 14 14 ALA CA C 11 54.811 54.834 -0.023 1
1 143 . 18 1 1 A 14 14 ALA CB C 11 17.641 17.783 -0.142 1
1 144 . 18 1 1 A 14 14 ALA N N 11 123.170 123.490 -0.320 1
1 145 . 18 1 1 A 15 15 LEU H H 12 7.732 8.047 -0.315 1
1 146 . 18 1 1 A 15 15 LEU HA H 12 3.636 3.855 -0.219 1
1 156 . 18 1 1 A 15 15 LEU C C 12 177.617 178.521 -0.904 1
1 157 . 18 1 1 A 15 15 LEU CA C 12 57.790 57.633 0.157 1
1 158 . 18 1 1 A 15 15 LEU CB C 12 41.352 41.217 0.135 1
1 162 . 18 1 1 A 15 15 LEU N N 12 121.171 118.252 2.919 1
1 163 . 18 1 1 A 16 16 ILE H H 13 8.037 8.059 -0.022 1
1 164 . 18 1 1 A 16 16 ILE HA H 13 3.061 3.550 -0.489 1
1 174 . 18 1 1 A 16 16 ILE C C 13 177.708 177.832 -0.124 1
1 175 . 18 1 1 A 16 16 ILE CA C 13 65.872 64.857 1.015 1
1 176 . 18 1 1 A 16 16 ILE CB C 13 37.704 37.633 0.071 1
1 180 . 18 1 1 A 16 16 ILE N N 13 117.849 119.958 -2.109 1
1 181 . 18 1 1 A 17 17 ARG H H 14 7.537 7.839 -0.302 1
1 182 . 18 1 1 A 17 17 ARG HA H 14 3.980 4.074 -0.094 1
1 189 . 18 1 1 A 17 17 ARG C C 14 179.876 178.763 1.113 1
1 190 . 18 1 1 A 17 17 ARG CA C 14 59.920 59.373 0.547 1
1 191 . 18 1 1 A 17 17 ARG CB C 14 29.995 29.424 0.571 1
1 194 . 18 1 1 A 17 17 ARG N N 14 117.366 120.523 -3.157 1
1 195 . 18 1 1 A 18 18 ARG H H 15 8.068 7.750 0.318 1
1 196 . 18 1 1 A 18 18 ARG HA H 15 3.868 3.965 -0.097 1
1 203 . 18 1 1 A 18 18 ARG C C 15 176.630 178.968 -2.338 1
1 204 . 18 1 1 A 18 18 ARG CA C 15 59.606 59.477 0.129 1
1 205 . 18 1 1 A 18 18 ARG CB C 15 30.327 30.521 -0.194 1
1 208 . 18 1 1 A 18 18 ARG N N 15 119.713 119.604 0.109 1
1 209 . 18 1 1 A 19 19 VAL H H 16 8.259 7.550 0.709 1
1 210 . 18 1 1 A 19 19 VAL HA H 16 3.296 3.714 -0.418 1
1 218 . 18 1 1 A 19 19 VAL C C 16 177.306 178.084 -0.778 1
1 219 . 18 1 1 A 19 19 VAL CA C 16 66.667 65.290 1.377 1
1 220 . 18 1 1 A 19 19 VAL CB C 16 30.421 31.496 -1.075 1
1 223 . 18 1 1 A 19 19 VAL N N 16 121.385 117.055 4.330 1
1 224 . 18 1 1 A 20 20 PHE H H 17 8.014 7.779 0.235 1
1 225 . 18 1 1 A 20 20 PHE HA H 17 4.222 4.220 0.002 1
1 233 . 18 1 1 A 20 20 PHE C C 17 180.973 177.934 3.039 1
1 234 . 18 1 1 A 20 20 PHE CA C 17 61.988 61.440 0.548 1
1 235 . 18 1 1 A 20 20 PHE CB C 17 38.553 37.702 0.851 1
1 241 . 18 1 1 A 20 20 PHE N N 17 118.811 120.252 -1.441 1
1 242 . 18 1 1 A 21 21 ALA H H 18 8.192 8.054 0.138 1
1 243 . 18 1 1 A 21 21 ALA HA H 18 4.096 4.140 -0.044 1
1 247 . 18 1 1 A 21 21 ALA C C 18 178.425 179.399 -0.974 1
1 248 . 18 1 1 A 21 21 ALA CA C 18 54.716 54.944 -0.228 1
1 249 . 18 1 1 A 21 21 ALA CB C 18 17.752 18.203 -0.451 1
1 250 . 18 1 1 A 21 21 ALA N N 18 122.995 121.813 1.182 1
1 251 . 18 1 1 A 22 22 ALA H H 19 7.256 7.322 -0.066 1
1 252 . 18 1 1 A 22 22 ALA HA H 19 4.356 4.345 0.011 1
1 256 . 18 1 1 A 22 22 ALA C C 19 177.665 177.729 -0.064 1
1 257 . 18 1 1 A 22 22 ALA CA C 19 51.629 51.989 -0.360 1
1 258 . 18 1 1 A 22 22 ALA CB C 19 18.554 19.429 -0.875 1
1 259 . 18 1 1 A 22 22 ALA N N 19 118.872 117.443 1.429 1
1 260 . 18 1 1 A 23 23 GLY H H 20 7.774 7.806 -0.032 1
1 261 . 18 1 1 A 23 23 GLY HA2 H 20 4.207 3.957 0.250 1
1 262 . 18 1 1 A 23 23 GLY HA3 H 20 3.762 3.980 -0.218 1
1 263 . 18 1 1 A 23 23 GLY C C 20 174.779 174.732 0.047 1
1 264 . 18 1 1 A 23 23 GLY CA C 20 45.347 45.158 0.189 1
1 265 . 18 1 1 A 23 23 GLY N N 20 106.718 107.044 -0.326 1
1 266 . 18 1 1 A 24 24 GLY H H 21 7.795 7.926 -0.131 1
1 267 . 18 1 1 A 24 24 GLY HA2 H 21 4.538 3.944 0.594 1
1 268 . 18 1 1 A 24 24 GLY HA3 H 21 3.306 3.988 -0.682 1
1 269 . 18 1 1 A 24 24 GLY C C 21 171.187 172.197 -1.010 1
1 270 . 18 1 1 A 24 24 GLY CA C 21 43.665 44.158 -0.493 1
1 271 . 18 1 1 A 24 24 GLY N N 21 108.369 108.148 0.221 1
1 272 . 18 1 1 A 25 25 PHE H H 22 7.340 8.614 -1.274 1
1 273 . 18 1 1 A 25 25 PHE HA H 22 3.784 4.279 -0.495 1
1 280 . 18 1 1 A 25 25 PHE C C 22 172.423 173.244 -0.821 1
1 281 . 18 1 1 A 25 25 PHE CA C 22 56.434 55.928 0.506 1
1 282 . 18 1 1 A 25 25 PHE CB C 22 42.819 42.950 -0.131 1
1 287 . 18 1 1 A 25 25 PHE N N 22 117.754 119.755 -2.001 1
1 288 . 18 1 1 A 26 26 ALA H H 23 5.579 7.528 -1.949 1
1 289 . 18 1 1 A 26 26 ALA HA H 23 4.943 5.060 -0.117 1
1 293 . 18 1 1 A 26 26 ALA C C 23 173.842 175.338 -1.496 1
1 294 . 18 1 1 A 26 26 ALA CA C 23 50.257 51.031 -0.774 1
1 295 . 18 1 1 A 26 26 ALA CB C 23 25.150 23.618 1.532 1
1 296 . 18 1 1 A 26 26 ALA N N 23 126.477 126.416 0.061 1
1 297 . 18 1 1 A 27 27 ALA H H 24 8.723 8.084 0.639 1
1 298 . 18 1 1 A 27 27 ALA HA H 24 4.330 4.860 -0.530 1
1 302 . 18 1 1 A 27 27 ALA C C 24 175.543 175.560 -0.017 1
1 303 . 18 1 1 A 27 27 ALA CA C 24 51.545 51.933 -0.388 1
1 304 . 18 1 1 A 27 27 ALA CB C 24 22.974 21.976 0.998 1
1 305 . 18 1 1 A 27 27 ALA N N 24 118.178 120.069 -1.891 1
1 306 . 18 1 1 A 28 28 VAL H H 25 8.841 9.053 -0.212 1
1 307 . 18 1 1 A 28 28 VAL HA H 25 3.972 4.471 -0.499 1
1 315 . 18 1 1 A 28 28 VAL C C 25 175.547 174.881 0.666 1
1 316 . 18 1 1 A 28 28 VAL CA C 25 64.153 61.987 2.166 1
1 317 . 18 1 1 A 28 28 VAL CB C 25 31.951 32.233 -0.282 1
1 320 . 18 1 1 A 28 28 VAL N N 25 120.857 124.424 -3.567 1
1 321 . 18 1 1 A 29 29 GLU H H 26 8.595 8.977 -0.382 1
1 322 . 18 1 1 A 29 29 GLU HA H 26 4.275 4.384 -0.109 1
1 327 . 18 1 1 A 29 29 GLU C C 26 176.177 176.286 -0.109 1
1 328 . 18 1 1 A 29 29 GLU CA C 26 57.686 58.457 -0.771 1
1 329 . 18 1 1 A 29 29 GLU CB C 26 30.521 30.766 -0.245 1
1 331 . 18 1 1 A 29 29 GLU N N 26 132.091 129.132 2.959 1
1 332 . 18 1 1 A 30 30 LYS H H 27 8.163 7.455 0.708 1
1 333 . 18 1 1 A 30 30 LYS HA H 27 4.352 4.767 -0.415 1
1 342 . 18 1 1 A 30 30 LYS C C 27 174.232 174.810 -0.578 1
1 343 . 18 1 1 A 30 30 LYS CA C 27 55.370 55.261 0.109 1
1 344 . 18 1 1 A 30 30 LYS CB C 27 36.138 34.624 1.514 1
1 348 . 18 1 1 A 30 30 LYS N N 27 119.899 119.255 0.644 1
1 349 . 18 1 1 A 31 31 LYS H H 28 8.603 8.564 0.039 1
1 350 . 18 1 1 A 31 31 LYS HA H 28 3.268 3.912 -0.644 1
1 359 . 18 1 1 A 31 31 LYS C C 28 175.170 174.723 0.447 1
1 360 . 18 1 1 A 31 31 LYS CA C 28 56.089 53.936 2.153 1
1 361 . 18 1 1 A 31 31 LYS CB C 28 32.386 34.972 -2.586 1
1 365 . 18 1 1 A 31 31 LYS N N 28 129.067 126.251 2.816 1
1 366 . 18 1 1 A 32 32 GLY H H 29 3.335 6.912 -3.577 1
1 367 . 18 1 1 A 32 32 GLY HA2 H 29 3.652 3.943 -0.291 1
1 368 . 18 1 1 A 32 32 GLY HA3 H 29 2.313 3.995 -1.682 1
1 369 . 18 1 1 A 32 32 GLY C C 29 172.863 173.304 -0.441 1
1 370 . 18 1 1 A 32 32 GLY CA C 29 43.344 44.189 -0.845 1
1 371 . 18 1 1 A 32 32 GLY N N 29 113.639 112.258 1.381 1
1 372 . 18 1 1 A 33 33 ALA H H 30 8.202 8.135 0.067 1
1 373 . 18 1 1 A 33 33 ALA HA H 30 4.173 4.491 -0.318 1
1 377 . 18 1 1 A 33 33 ALA C C 30 181.026 178.507 2.519 1
1 378 . 18 1 1 A 33 33 ALA CA C 30 52.674 51.971 0.703 1
1 379 . 18 1 1 A 33 33 ALA CB C 30 19.020 19.553 -0.533 1
1 380 . 18 1 1 A 33 33 ALA N N 30 121.182 124.475 -3.293 1
1 381 . 18 1 1 A 34 34 GLU H H 31 9.313 9.132 0.181 1
1 382 . 18 1 1 A 34 34 GLU HA H 31 4.130 4.192 -0.062 1
1 387 . 18 1 1 A 34 34 GLU C C 31 177.137 178.628 -1.491 1
1 388 . 18 1 1 A 34 34 GLU CA C 31 61.214 59.261 1.953 1
1 389 . 18 1 1 A 34 34 GLU CB C 31 29.947 29.809 0.138 1
1 391 . 18 1 1 A 34 34 GLU N N 31 126.206 123.284 2.922 1
1 392 . 18 1 1 A 35 35 ALA H H 32 8.614 8.080 0.534 1
1 393 . 18 1 1 A 35 35 ALA HA H 32 4.377 4.351 0.026 1
1 397 . 18 1 1 A 35 35 ALA C C 32 180.260 177.700 2.560 1
1 398 . 18 1 1 A 35 35 ALA CA C 32 55.118 53.761 1.357 1
1 399 . 18 1 1 A 35 35 ALA CB C 32 18.192 19.194 -1.002 1
1 400 . 18 1 1 A 35 35 ALA N N 32 119.251 120.962 -1.711 1
1 401 . 18 1 1 A 36 36 ALA H H 33 8.467 8.030 0.437 1
1 402 . 18 1 1 A 36 36 ALA HA H 33 4.612 4.445 0.167 1
1 406 . 18 1 1 A 36 36 ALA C C 33 177.468 177.247 0.221 1
1 407 . 18 1 1 A 36 36 ALA CA C 33 51.190 51.322 -0.132 1
1 408 . 18 1 1 A 36 36 ALA CB C 33 19.451 18.840 0.611 1
1 409 . 18 1 1 A 36 36 ALA N N 33 120.927 117.736 3.191 1
1 410 . 18 1 1 A 37 37 GLY H H 34 7.445 8.129 -0.684 1
1 411 . 18 1 1 A 37 37 GLY HA2 H 34 4.143 4.175 -0.032 1
1 412 . 18 1 1 A 37 37 GLY HA3 H 34 4.010 4.261 -0.251 1
1 413 . 18 1 1 A 37 37 GLY C C 34 174.885 173.586 1.299 1
1 414 . 18 1 1 A 37 37 GLY CA C 34 46.790 45.017 1.773 1
1 415 . 18 1 1 A 37 37 GLY N N 34 105.715 106.898 -1.183 1
1 416 . 18 1 1 A 38 38 ALA H H 35 9.722 8.250 1.472 1
1 417 . 18 1 1 A 38 38 ALA HA H 35 4.053 4.500 -0.447 1
1 421 . 18 1 1 A 38 38 ALA CA C 35 52.676 51.834 0.842 1
1 422 . 18 1 1 A 38 38 ALA CB C 35 20.069 20.215 -0.146 1
1 423 . 18 1 1 A 38 38 ALA N N 35 131.782 122.674 9.108 1
1 424 . 18 1 1 A 39 39 ILE H H 36 7.776 8.575 -0.799 1
1 425 . 18 1 1 A 39 39 ILE HA H 36 4.533 4.916 -0.383 1
1 435 . 18 1 1 A 39 39 ILE C C 36 172.754 174.895 -2.141 1
1 436 . 18 1 1 A 39 39 ILE CA C 36 61.429 60.823 0.606 1
1 437 . 18 1 1 A 39 39 ILE CB C 36 40.275 40.321 -0.046 1
1 441 . 18 1 1 A 39 39 ILE N N 36 119.692 121.460 -1.768 1
1 442 . 18 1 1 A 40 40 PHE H H 37 8.513 9.413 -0.900 1
1 443 . 18 1 1 A 40 40 PHE HA H 37 5.242 5.708 -0.466 1
1 448 . 18 1 1 A 40 40 PHE C C 37 175.559 174.744 0.815 1
1 449 . 18 1 1 A 40 40 PHE CA C 37 56.375 56.988 -0.613 1
1 450 . 18 1 1 A 40 40 PHE CB C 37 41.794 40.302 1.492 1
1 453 . 18 1 1 A 40 40 PHE N N 37 123.003 126.064 -3.061 1
1 454 . 18 1 1 A 41 41 VAL H H 38 8.898 9.339 -0.441 1
1 455 . 18 1 1 A 41 41 VAL HA H 38 4.981 5.189 -0.208 1
1 463 . 18 1 1 A 41 41 VAL C C 38 174.233 175.518 -1.285 1
1 464 . 18 1 1 A 41 41 VAL CA C 38 60.287 60.875 -0.588 1
1 465 . 18 1 1 A 41 41 VAL CB C 38 35.122 34.620 0.502 1
1 468 . 18 1 1 A 41 41 VAL N N 38 120.239 123.153 -2.914 1
1 469 . 18 1 1 A 42 42 ARG H H 39 9.399 9.056 0.343 1
1 470 . 18 1 1 A 42 42 ARG HA H 39 5.094 5.472 -0.378 1
1 478 . 18 1 1 A 42 42 ARG C C 39 173.198 174.759 -1.561 1
1 479 . 18 1 1 A 42 42 ARG CA C 39 54.067 54.870 -0.803 1
1 480 . 18 1 1 A 42 42 ARG CB C 39 33.430 32.766 0.664 1
1 483 . 18 1 1 A 42 42 ARG N N 39 129.107 123.813 5.294 1
1 485 . 18 1 1 A 43 43 GLN H H 40 9.402 8.788 0.614 1
1 486 . 18 1 1 A 43 43 GLN HA H 40 5.371 4.898 0.473 1
1 493 . 18 1 1 A 43 43 GLN C C 40 174.278 174.771 -0.493 1
1 494 . 18 1 1 A 43 43 GLN CA C 40 52.778 55.979 -3.201 1
1 495 . 18 1 1 A 43 43 GLN CB C 40 31.703 30.153 1.550 1
1 497 . 18 1 1 A 43 43 GLN N N 40 127.936 124.087 3.849 1
1 499 . 18 1 1 A 44 44 ARG H H 41 8.875 8.661 0.214 1
1 500 . 18 1 1 A 44 44 ARG HA H 41 4.488 4.921 -0.433 1
1 507 . 18 1 1 A 44 44 ARG C C 41 175.417 175.637 -0.220 1
1 508 . 18 1 1 A 44 44 ARG CA C 41 56.319 54.549 1.770 1
1 509 . 18 1 1 A 44 44 ARG CB C 41 31.231 32.980 -1.749 1
1 512 . 18 1 1 A 44 44 ARG N N 41 127.617 127.272 0.345 1
1 513 . 18 1 1 A 45 45 LEU H H 42 8.494 8.740 -0.246 1
1 514 . 18 1 1 A 45 45 LEU HA H 42 4.480 4.491 -0.011 1
1 524 . 18 1 1 A 45 45 LEU C C 42 179.893 178.553 1.340 1
1 525 . 18 1 1 A 45 45 LEU CA C 42 53.972 55.129 -1.157 1
1 526 . 18 1 1 A 45 45 LEU CB C 42 42.206 42.064 0.142 1
1 530 . 18 1 1 A 45 45 LEU N N 42 125.380 128.480 -3.100 1
1 531 . 18 1 1 A 46 46 ARG H H 43 9.223 8.775 0.448 1
1 532 . 18 1 1 A 46 46 ARG HA H 43 3.929 4.061 -0.132 1
1 539 . 18 1 1 A 46 46 ARG C C 43 177.114 178.245 -1.131 1
1 540 . 18 1 1 A 46 46 ARG CA C 43 58.773 58.405 0.368 1
1 541 . 18 1 1 A 46 46 ARG CB C 43 29.688 29.905 -0.217 1
1 544 . 18 1 1 A 46 46 ARG N N 43 121.380 122.651 -1.271 1
1 545 . 18 1 1 A 47 47 ASP H H 44 7.727 7.872 -0.145 1
1 546 . 18 1 1 A 47 47 ASP HA H 44 4.373 4.491 -0.118 1
1 549 . 18 1 1 A 47 47 ASP C C 44 177.125 176.151 0.974 1
1 550 . 18 1 1 A 47 47 ASP CA C 44 53.256 55.995 -2.739 1
1 551 . 18 1 1 A 47 47 ASP CB C 44 39.993 41.440 -1.447 1
1 552 . 18 1 1 A 47 47 ASP N N 44 115.801 119.914 -4.113 1
1 553 . 18 1 1 A 48 48 GLY H H 45 7.878 7.818 0.060 1
1 554 . 18 1 1 A 48 48 GLY HA2 H 45 4.237 4.023 0.214 1
1 555 . 18 1 1 A 48 48 GLY HA3 H 45 3.531 4.024 -0.493 1
1 556 . 18 1 1 A 48 48 GLY C C 45 175.041 174.828 0.213 1
1 557 . 18 1 1 A 48 48 GLY CA C 45 45.289 45.220 0.069 1
1 558 . 18 1 1 A 48 48 GLY N N 45 108.005 107.537 0.468 1
1 559 . 18 1 1 A 49 49 ARG H H 46 7.696 7.778 -0.082 1
1 560 . 18 1 1 A 49 49 ARG HA H 46 4.309 4.327 -0.018 1
1 567 . 18 1 1 A 49 49 ARG C C 46 174.199 175.084 -0.885 1
1 568 . 18 1 1 A 49 49 ARG CA C 46 55.909 56.288 -0.379 1
1 569 . 18 1 1 A 49 49 ARG CB C 46 31.226 31.723 -0.497 1
1 572 . 18 1 1 A 49 49 ARG N N 46 120.601 120.591 0.010 1
1 573 . 18 1 1 A 50 50 GLU H H 47 8.885 8.373 0.512 1
1 574 . 18 1 1 A 50 50 GLU HA H 47 5.381 5.567 -0.186 1
1 579 . 18 1 1 A 50 50 GLU C C 47 175.590 175.511 0.079 1
1 580 . 18 1 1 A 50 50 GLU CA C 47 55.057 54.744 0.313 1
1 581 . 18 1 1 A 50 50 GLU CB C 47 35.650 34.271 1.379 1
1 583 . 18 1 1 A 50 50 GLU N N 47 116.439 118.997 -2.558 1
1 584 . 18 1 1 A 51 51 ASN H H 48 8.683 8.772 -0.089 1
1 585 . 18 1 1 A 51 51 ASN HA H 48 5.153 5.417 -0.264 1
1 590 . 18 1 1 A 51 51 ASN C C 48 173.562 172.708 0.854 1
1 591 . 18 1 1 A 51 51 ASN CA C 48 50.361 51.908 -1.547 1
1 592 . 18 1 1 A 51 51 ASN CB C 48 41.823 42.524 -0.701 1
1 593 . 18 1 1 A 51 51 ASN N N 48 114.752 118.662 -3.910 1
1 595 . 18 1 1 A 52 52 LEU H H 49 8.847 8.667 0.180 1
1 596 . 18 1 1 A 52 52 LEU HA H 49 5.274 4.817 0.457 1
1 606 . 18 1 1 A 52 52 LEU C C 49 174.213 174.250 -0.037 1
1 607 . 18 1 1 A 52 52 LEU CA C 49 52.889 53.174 -0.285 1
1 608 . 18 1 1 A 52 52 LEU CB C 49 46.300 44.885 1.415 1
1 612 . 18 1 1 A 52 52 LEU N N 49 120.365 125.521 -5.156 1
1 613 . 18 1 1 A 53 53 TYR H H 50 9.641 9.044 0.597 1
1 614 . 18 1 1 A 53 53 TYR HA H 50 5.519 5.574 -0.055 1
1 621 . 18 1 1 A 53 53 TYR C C 50 175.473 175.571 -0.098 1
1 622 . 18 1 1 A 53 53 TYR CA C 50 55.928 55.601 0.327 1
1 623 . 18 1 1 A 53 53 TYR CB C 50 40.076 43.151 -3.075 1
1 628 . 18 1 1 A 53 53 TYR N N 50 127.507 124.995 2.512 1
1 629 . 18 1 1 A 54 54 GLY H H 51 8.893 8.472 0.421 1
1 630 . 18 1 1 A 54 54 GLY HA2 H 51 4.687 3.641 1.046 1
1 631 . 18 1 1 A 54 54 GLY HA3 H 51 3.127 3.792 -0.665 1
1 632 . 18 1 1 A 54 54 GLY CA C 51 44.040 44.675 -0.635 1
1 633 . 18 1 1 A 54 54 GLY N N 51 108.518 108.805 -0.287 1
1 634 . 18 1 1 A 55 55 PRO HA H 52 3.849 3.317 0.532 1
1 641 . 18 1 1 A 55 55 PRO C C 52 176.695 176.568 0.127 1
1 642 . 18 1 1 A 55 55 PRO CA C 52 63.187 61.773 1.414 1
1 643 . 18 1 1 A 55 55 PRO CB C 52 32.096 31.262 0.834 1
1 646 . 18 1 1 A 56 56 ALA H H 53 7.675 7.557 0.118 1
1 647 . 18 1 1 A 56 56 ALA HA H 53 4.242 4.581 -0.339 1
1 651 . 18 1 1 A 56 56 ALA CA C 53 49.506 50.421 -0.915 1
1 652 . 18 1 1 A 56 56 ALA CB C 53 18.096 18.442 -0.346 1
1 653 . 18 1 1 A 56 56 ALA N N 53 126.695 124.618 2.077 1
1 654 . 18 1 1 A 57 57 PRO HA H 54 4.186 4.628 -0.442 1
1 661 . 18 1 1 A 57 57 PRO C C 54 179.368 176.278 3.090 1
1 662 . 18 1 1 A 57 57 PRO CA C 54 63.116 62.688 0.428 1
1 663 . 18 1 1 A 57 57 PRO CB C 54 31.747 32.580 -0.833 1
1 666 . 18 1 1 A 58 58 GLN H H 55 8.278 8.581 -0.303 1
1 667 . 18 1 1 A 58 58 GLN HA H 55 4.083 5.046 -0.963 1
1 674 . 18 1 1 A 58 58 GLN C C 55 175.368 174.267 1.101 1
1 675 . 18 1 1 A 58 58 GLN CA C 55 55.635 54.002 1.633 1
1 676 . 18 1 1 A 58 58 GLN CB C 55 29.927 31.805 -1.878 1
1 678 . 18 1 1 A 58 58 GLN N N 55 121.313 117.885 3.428 1
1 680 . 18 1 1 A 59 59 SER H H 56 8.182 8.703 -0.521 1
1 681 . 18 1 1 A 59 59 SER HA H 56 4.246 4.676 -0.430 1
1 684 . 18 1 1 A 59 59 SER C C 56 174.075 173.937 0.138 1
1 685 . 18 1 1 A 59 59 SER CA C 56 57.667 56.995 0.672 1
1 686 . 18 1 1 A 59 59 SER CB C 56 63.751 63.350 0.401 1
1 687 . 18 1 1 A 59 59 SER N N 56 117.615 117.118 0.497 1
1 688 . 18 1 1 A 60 60 PHE H H 57 8.100 8.730 -0.630 1
1 689 . 18 1 1 A 60 60 PHE HA H 57 4.493 5.826 -1.333 1
1 696 . 18 1 1 A 60 60 PHE C C 57 175.439 172.992 2.447 1
1 697 . 18 1 1 A 60 60 PHE CA C 57 57.622 55.068 2.554 1
1 698 . 18 1 1 A 60 60 PHE CB C 57 39.519 42.678 -3.159 1
1 703 . 18 1 1 A 60 60 PHE N N 57 121.890 123.700 -1.810 1
1 704 . 18 1 1 A 61 61 ALA H H 58 8.234 8.610 -0.376 1
1 705 . 18 1 1 A 61 61 ALA HA H 58 4.165 4.832 -0.667 1
1 709 . 18 1 1 A 61 61 ALA C C 58 179.286 177.145 2.141 1
1 710 . 18 1 1 A 61 61 ALA CA C 58 52.471 50.523 1.948 1
1 711 . 18 1 1 A 61 61 ALA CB C 58 19.444 21.175 -1.731 1
1 712 . 18 1 1 A 61 61 ALA N N 58 124.383 124.162 0.221 1
1 713 . 18 1 1 A 62 62 ASP H H 59 8.017 9.436 -1.419 1
1 714 . 18 1 1 A 62 62 ASP HA H 59 4.412 4.373 0.039 1
1 717 . 18 1 1 A 62 62 ASP C C 59 176.073 174.767 1.306 1
1 718 . 18 1 1 A 62 62 ASP CA C 59 54.360 55.278 -0.918 1
1 719 . 18 1 1 A 62 62 ASP CB C 59 41.213 39.978 1.235 1
1 720 . 18 1 1 A 62 62 ASP N N 59 118.579 124.212 -5.633 1
1 721 . 18 1 1 A 63 63 ASP H H 60 8.096 8.721 -0.625 1
1 722 . 18 1 1 A 63 63 ASP HA H 60 4.346 4.386 -0.040 1
1 725 . 18 1 1 A 63 63 ASP C C 60 176.619 175.807 0.812 1
1 726 . 18 1 1 A 63 63 ASP CA C 60 54.714 55.776 -1.062 1
1 727 . 18 1 1 A 63 63 ASP CB C 60 40.801 39.136 1.665 1
1 728 . 18 1 1 A 63 63 ASP N N 60 119.530 112.226 7.304 1
1 729 . 18 1 1 A 64 64 GLU H H 61 8.109 7.984 0.125 1
1 730 . 18 1 1 A 64 64 GLU HA H 61 4.012 4.106 -0.094 1
1 735 . 18 1 1 A 64 64 GLU C C 61 176.652 177.598 -0.946 1
1 736 . 18 1 1 A 64 64 GLU CA C 61 57.301 59.396 -2.095 1
1 737 . 18 1 1 A 64 64 GLU CB C 61 30.107 29.427 0.680 1
1 739 . 18 1 1 A 64 64 GLU N N 61 120.050 118.008 2.042 1
1 740 . 18 1 1 A 65 65 ASP H H 62 8.062 8.020 0.042 1
1 741 . 18 1 1 A 65 65 ASP HA H 62 4.369 4.677 -0.308 1
1 744 . 18 1 1 A 65 65 ASP C C 62 177.458 177.442 0.016 1
1 745 . 18 1 1 A 65 65 ASP CA C 62 54.645 54.963 -0.318 1
1 746 . 18 1 1 A 65 65 ASP CB C 62 40.896 41.548 -0.652 1
1 747 . 18 1 1 A 65 65 ASP N N 62 120.211 119.713 0.498 1
1 748 . 18 1 1 A 66 66 ILE H H 63 7.805 7.551 0.254 1
1 749 . 18 1 1 A 66 66 ILE HA H 63 3.708 3.911 -0.203 1
1 759 . 18 1 1 A 66 66 ILE C C 63 176.802 177.650 -0.848 1
1 760 . 18 1 1 A 66 66 ILE CA C 63 62.754 64.600 -1.846 1
1 761 . 18 1 1 A 66 66 ILE CB C 63 38.230 37.487 0.743 1
1 765 . 18 1 1 A 66 66 ILE N N 63 121.259 121.038 0.221 1
1 766 . 18 1 1 A 67 67 MET H H 64 7.950 7.985 -0.035 1
1 767 . 18 1 1 A 67 67 MET HA H 64 4.229 4.351 -0.122 1
1 775 . 18 1 1 A 67 67 MET C C 64 176.724 177.073 -0.349 1
1 776 . 18 1 1 A 67 67 MET CA C 64 55.944 57.402 -1.458 1
1 777 . 18 1 1 A 67 67 MET CB C 64 31.826 33.414 -1.588 1
1 780 . 18 1 1 A 67 67 MET N N 64 118.533 118.305 0.228 1
1 781 . 18 1 1 A 68 68 ARG H H 65 7.604 7.644 -0.040 1
1 782 . 18 1 1 A 68 68 ARG HA H 65 4.197 4.444 -0.247 1
1 789 . 18 1 1 A 68 68 ARG C C 65 175.530 175.533 -0.003 1
1 790 . 18 1 1 A 68 68 ARG CA C 65 56.028 56.064 -0.036 1
1 791 . 18 1 1 A 68 68 ARG CB C 65 30.760 31.171 -0.411 1
1 794 . 18 1 1 A 68 68 ARG N N 65 118.706 116.457 2.249 1
1 795 . 18 1 1 A 69 69 ALA H H 66 7.634 7.417 0.217 1
1 796 . 18 1 1 A 69 69 ALA HA H 66 4.254 4.816 -0.562 1
1 800 . 18 1 1 A 69 69 ALA C C 66 176.846 175.244 1.602 1
1 801 . 18 1 1 A 69 69 ALA CA C 66 51.905 50.742 1.163 1
1 802 . 18 1 1 A 69 69 ALA CB C 66 20.023 22.991 -2.968 1
1 803 . 18 1 1 A 69 69 ALA N N 66 123.528 120.013 3.515 1
1 804 . 18 1 1 A 70 70 GLU H H 67 8.192 8.557 -0.365 1
1 805 . 18 1 1 A 70 70 GLU HA H 67 4.228 4.601 -0.373 1
1 810 . 18 1 1 A 70 70 GLU C C 67 176.333 176.521 -0.188 1
1 811 . 18 1 1 A 70 70 GLU CA C 67 55.928 56.404 -0.476 1
1 812 . 18 1 1 A 70 70 GLU CB C 67 30.769 30.616 0.153 1
1 814 . 18 1 1 A 70 70 GLU N N 67 120.599 122.057 -1.458 1
1 815 . 18 1 1 A 71 71 ARG H H 68 8.674 8.448 0.226 1
1 816 . 18 1 1 A 71 71 ARG HA H 68 3.696 4.736 -1.040 1
1 823 . 18 1 1 A 71 71 ARG C C 68 175.422 174.871 0.551 1
1 824 . 18 1 1 A 71 71 ARG CA C 68 56.964 55.600 1.364 1
1 825 . 18 1 1 A 71 71 ARG CB C 68 30.886 31.576 -0.690 1
1 828 . 18 1 1 A 71 71 ARG N N 68 123.533 123.867 -0.334 1
1 829 . 18 1 1 A 72 72 ARG H H 69 7.660 8.579 -0.919 1
1 830 . 18 1 1 A 72 72 ARG HA H 69 4.642 4.999 -0.357 1
1 837 . 18 1 1 A 72 72 ARG C C 69 175.051 175.308 -0.257 1
1 838 . 18 1 1 A 72 72 ARG CA C 69 54.297 54.722 -0.425 1
1 839 . 18 1 1 A 72 72 ARG CB C 69 33.555 32.311 1.244 1
1 842 . 18 1 1 A 72 72 ARG N N 69 120.057 122.469 -2.412 1
1 843 . 18 1 1 A 73 73 PHE H H 70 8.714 8.733 -0.019 1
1 844 . 18 1 1 A 73 73 PHE HA H 70 5.020 4.957 0.063 1
1 852 . 18 1 1 A 73 73 PHE C C 70 173.159 174.687 -1.528 1
1 853 . 18 1 1 A 73 73 PHE CA C 70 57.359 56.827 0.532 1
1 854 . 18 1 1 A 73 73 PHE CB C 70 43.426 42.537 0.889 1
1 860 . 18 1 1 A 73 73 PHE N N 70 119.519 122.340 -2.821 1
1 861 . 18 1 1 A 74 74 GLU H H 71 9.404 9.116 0.288 1
1 862 . 18 1 1 A 74 74 GLU HA H 71 4.996 5.100 -0.104 1
1 867 . 18 1 1 A 74 74 GLU C C 71 175.559 174.745 0.814 1
1 868 . 18 1 1 A 74 74 GLU CA C 71 52.975 54.790 -1.815 1
1 869 . 18 1 1 A 74 74 GLU CB C 71 33.399 33.644 -0.245 1
1 871 . 18 1 1 A 74 74 GLU N N 71 117.679 117.866 -0.187 1
1 872 . 18 1 1 A 75 75 THR H H 72 9.801 9.090 0.711 1
1 873 . 18 1 1 A 75 75 THR HA H 72 4.108 4.853 -0.745 1
1 878 . 18 1 1 A 75 75 THR C C 72 175.065 174.044 1.021 1
1 879 . 18 1 1 A 75 75 THR CA C 72 64.296 62.506 1.790 1
1 880 . 18 1 1 A 75 75 THR CB C 72 67.635 69.008 -1.373 1
1 882 . 18 1 1 A 75 75 THR N N 72 122.320 118.377 3.943 1
1 883 . 18 1 1 A 76 76 ARG H H 73 9.150 9.018 0.132 1
1 884 . 18 1 1 A 76 76 ARG HA H 73 4.283 4.312 -0.029 1
1 892 . 18 1 1 A 76 76 ARG C C 73 176.574 176.579 -0.005 1
1 893 . 18 1 1 A 76 76 ARG CA C 73 55.858 58.080 -2.222 1
1 894 . 18 1 1 A 76 76 ARG CB C 73 30.930 30.964 -0.034 1
1 897 . 18 1 1 A 76 76 ARG N N 73 127.709 127.858 -0.149 1
1 899 . 18 1 1 A 77 77 LEU H H 74 7.520 7.282 0.238 1
1 900 . 18 1 1 A 77 77 LEU HA H 74 4.480 4.943 -0.463 1
1 910 . 18 1 1 A 77 77 LEU C C 74 174.509 175.178 -0.669 1
1 911 . 18 1 1 A 77 77 LEU CA C 74 54.222 53.484 0.738 1
1 912 . 18 1 1 A 77 77 LEU CB C 74 47.315 45.861 1.454 1
1 916 . 18 1 1 A 77 77 LEU N N 74 117.021 118.161 -1.140 1
1 917 . 18 1 1 A 78 78 ALA H H 75 8.600 8.480 0.120 1
1 918 . 18 1 1 A 78 78 ALA HA H 75 4.999 5.117 -0.118 1
1 922 . 18 1 1 A 78 78 ALA C C 75 176.343 177.322 -0.979 1
1 923 . 18 1 1 A 78 78 ALA CA C 75 50.324 51.493 -1.169 1
1 924 . 18 1 1 A 78 78 ALA CB C 75 21.074 22.475 -1.401 1
1 925 . 18 1 1 A 78 78 ALA N N 75 124.663 123.292 1.371 1
1 926 . 18 1 1 A 79 79 GLY H H 76 8.730 8.553 0.177 1
1 927 . 18 1 1 A 79 79 GLY HA2 H 76 3.706 3.873 -0.167 1
1 928 . 18 1 1 A 79 79 GLY HA3 H 76 3.306 3.874 -0.568 1
1 929 . 18 1 1 A 79 79 GLY C C 76 175.173 173.683 1.490 1
1 930 . 18 1 1 A 79 79 GLY CA C 76 47.520 46.936 0.584 1
1 931 . 18 1 1 A 79 79 GLY N N 76 114.411 111.438 2.973 1
1 932 . 18 1 1 A 80 80 VAL H H 77 8.380 7.737 0.643 1
1 933 . 18 1 1 A 80 80 VAL HA H 77 4.643 4.839 -0.196 1
1 941 . 18 1 1 A 80 80 VAL C C 77 175.208 174.884 0.324 1
1 942 . 18 1 1 A 80 80 VAL CA C 77 59.289 59.213 0.076 1
1 943 . 18 1 1 A 80 80 VAL CB C 77 34.226 35.467 -1.241 1
1 946 . 18 1 1 A 80 80 VAL N N 77 112.611 114.528 -1.917 1
1 947 . 18 1 1 A 81 81 GLU H H 78 8.415 8.497 -0.082 1
1 948 . 18 1 1 A 81 81 GLU HA H 78 4.451 4.659 -0.208 1
1 953 . 18 1 1 A 81 81 GLU C C 78 178.955 178.148 0.807 1
1 954 . 18 1 1 A 81 81 GLU CA C 78 55.631 54.608 1.023 1
1 955 . 18 1 1 A 81 81 GLU CB C 78 30.535 30.763 -0.228 1
1 957 . 18 1 1 A 81 81 GLU N N 78 117.186 121.315 -4.129 1
1 958 . 18 1 1 A 82 82 GLY H H 79 8.834 8.752 0.082 1
1 959 . 18 1 1 A 82 82 GLY HA2 H 79 3.810 3.843 -0.033 1
1 960 . 18 1 1 A 82 82 GLY HA3 H 79 3.518 3.845 -0.327 1
1 961 . 18 1 1 A 82 82 GLY C C 79 176.446 175.663 0.783 1
1 962 . 18 1 1 A 82 82 GLY CA C 79 47.629 47.191 0.438 1
1 963 . 18 1 1 A 82 82 GLY N N 79 109.312 108.144 1.168 1
1 964 . 18 1 1 A 83 83 GLU H H 80 8.747 8.266 0.481 1
1 965 . 18 1 1 A 83 83 GLU HA H 80 3.972 4.023 -0.051 1
1 970 . 18 1 1 A 83 83 GLU C C 80 179.046 178.866 0.180 1
1 971 . 18 1 1 A 83 83 GLU CA C 80 59.403 59.336 0.067 1
1 972 . 18 1 1 A 83 83 GLU CB C 80 29.005 29.252 -0.247 1
1 974 . 18 1 1 A 83 83 GLU N N 80 119.416 121.812 -2.396 1
1 975 . 18 1 1 A 84 84 GLU H H 81 7.588 8.164 -0.576 1
1 976 . 18 1 1 A 84 84 GLU HA H 81 4.003 4.052 -0.049 1
1 981 . 18 1 1 A 84 84 GLU C C 81 179.682 179.353 0.329 1
1 982 . 18 1 1 A 84 84 GLU CA C 81 59.213 59.130 0.083 1
1 983 . 18 1 1 A 84 84 GLU CB C 81 29.473 29.643 -0.170 1
1 985 . 18 1 1 A 84 84 GLU N N 81 120.110 118.934 1.176 1
1 986 . 18 1 1 A 85 85 ILE H H 82 6.936 7.644 -0.708 1
1 987 . 18 1 1 A 85 85 ILE HA H 82 3.356 3.584 -0.228 1
1 997 . 18 1 1 A 85 85 ILE C C 82 177.308 177.799 -0.491 1
1 998 . 18 1 1 A 85 85 ILE CA C 82 64.055 65.892 -1.837 1
1 999 . 18 1 1 A 85 85 ILE CB C 82 36.836 38.081 -1.245 1
1 1003 . 18 1 1 A 85 85 ILE N N 82 120.268 121.385 -1.117 1
1 1004 . 18 1 1 A 86 86 ALA H H 83 8.292 8.274 0.018 1
1 1005 . 18 1 1 A 86 86 ALA HA H 83 3.787 4.007 -0.220 1
1 1009 . 18 1 1 A 86 86 ALA C C 83 180.345 179.665 0.680 1
1 1010 . 18 1 1 A 86 86 ALA CA C 83 55.103 55.212 -0.109 1
1 1011 . 18 1 1 A 86 86 ALA CB C 83 17.928 18.145 -0.217 1
1 1012 . 18 1 1 A 86 86 ALA N N 83 121.052 121.540 -0.488 1
1 1013 . 18 1 1 A 87 87 ALA H H 84 7.516 7.936 -0.420 1
1 1014 . 18 1 1 A 87 87 ALA HA H 84 4.006 4.123 -0.117 1
1 1018 . 18 1 1 A 87 87 ALA C C 84 180.272 179.299 0.973 1
1 1019 . 18 1 1 A 87 87 ALA CA C 84 54.765 55.101 -0.336 1
1 1020 . 18 1 1 A 87 87 ALA CB C 84 17.949 18.163 -0.214 1
1 1021 . 18 1 1 A 87 87 ALA N N 84 119.052 120.428 -1.376 1
1 1022 . 18 1 1 A 88 88 LEU H H 85 7.285 7.431 -0.146 1
1 1023 . 18 1 1 A 88 88 LEU HA H 85 4.042 4.163 -0.121 1
1 1033 . 18 1 1 A 88 88 LEU C C 85 174.921 178.607 -3.686 1
1 1034 . 18 1 1 A 88 88 LEU CA C 85 58.290 57.204 1.086 1
1 1035 . 18 1 1 A 88 88 LEU CB C 85 41.610 42.352 -0.742 1
1 1039 . 18 1 1 A 88 88 LEU N N 85 121.211 119.069 2.142 1
1 1040 . 18 1 1 A 89 89 LEU H H 86 8.472 7.971 0.501 1
1 1041 . 18 1 1 A 89 89 LEU HA H 86 3.486 3.760 -0.274 1
1 1051 . 18 1 1 A 89 89 LEU C C 86 178.855 179.722 -0.867 1
1 1052 . 18 1 1 A 89 89 LEU CA C 86 57.476 57.405 0.071 1
1 1053 . 18 1 1 A 89 89 LEU CB C 86 41.478 41.310 0.168 1
1 1057 . 18 1 1 A 89 89 LEU N N 86 118.740 118.345 0.395 1
1 1058 . 18 1 1 A 90 90 GLU H H 87 7.926 8.615 -0.689 1
1 1059 . 18 1 1 A 90 90 GLU HA H 87 3.726 3.976 -0.250 1
1 1064 . 18 1 1 A 90 90 GLU C C 87 178.738 178.671 0.067 1
1 1065 . 18 1 1 A 90 90 GLU CA C 87 59.511 59.124 0.387 1
1 1066 . 18 1 1 A 90 90 GLU CB C 87 28.855 29.014 -0.159 1
1 1068 . 18 1 1 A 90 90 GLU N N 87 119.669 117.996 1.673 1
1 1069 . 18 1 1 A 91 91 ARG H H 88 7.069 7.773 -0.704 1
1 1070 . 18 1 1 A 91 91 ARG HA H 88 3.762 4.177 -0.415 1
1 1077 . 18 1 1 A 91 91 ARG C C 88 178.920 178.972 -0.052 1
1 1078 . 18 1 1 A 91 91 ARG CA C 88 59.544 59.537 0.007 1
1 1079 . 18 1 1 A 91 91 ARG CB C 88 29.723 30.365 -0.642 1
1 1082 . 18 1 1 A 91 91 ARG N N 88 119.088 119.389 -0.301 1
1 1083 . 18 1 1 A 92 92 GLU H H 89 8.170 8.125 0.045 1
1 1084 . 18 1 1 A 92 92 GLU HA H 89 4.021 4.229 -0.208 1
1 1089 . 18 1 1 A 92 92 GLU C C 89 180.250 179.731 0.519 1
1 1090 . 18 1 1 A 92 92 GLU CA C 89 58.661 58.771 -0.110 1
1 1091 . 18 1 1 A 92 92 GLU CB C 89 28.073 29.019 -0.946 1
1 1093 . 18 1 1 A 92 92 GLU N N 89 117.768 119.259 -1.491 1
1 1094 . 18 1 1 A 93 93 ARG H H 90 8.355 7.927 0.428 1
1 1095 . 18 1 1 A 93 93 ARG HA H 90 4.003 4.242 -0.239 1
1 1102 . 18 1 1 A 93 93 ARG C C 90 177.592 178.579 -0.987 1
1 1103 . 18 1 1 A 93 93 ARG CA C 90 57.744 58.899 -1.155 1
1 1104 . 18 1 1 A 93 93 ARG CB C 90 30.325 29.896 0.429 1
1 1107 . 18 1 1 A 93 93 ARG N N 90 119.179 118.938 0.241 1
1 1108 . 18 1 1 A 94 94 ARG H H 91 7.232 7.519 -0.287 1
1 1109 . 18 1 1 A 94 94 ARG HA H 91 3.788 3.863 -0.075 1
1 1116 . 18 1 1 A 94 94 ARG C C 91 177.986 178.812 -0.826 1
1 1117 . 18 1 1 A 94 94 ARG CA C 91 58.462 58.958 -0.496 1
1 1118 . 18 1 1 A 94 94 ARG CB C 91 29.565 29.668 -0.103 1
1 1121 . 18 1 1 A 94 94 ARG N N 91 118.441 120.001 -1.560 1
1 1122 . 18 1 1 A 95 95 PHE H H 92 7.048 7.497 -0.449 1
1 1123 . 18 1 1 A 95 95 PHE HA H 92 4.474 4.316 0.158 1
1 1128 . 18 1 1 A 95 95 PHE C C 92 175.728 175.557 0.171 1
1 1129 . 18 1 1 A 95 95 PHE CA C 92 58.210 59.838 -1.628 1
1 1130 . 18 1 1 A 95 95 PHE CB C 92 39.724 39.632 0.092 1
1 1133 . 18 1 1 A 95 95 PHE N N 92 115.951 117.009 -1.058 1
1 1134 . 18 1 1 A 96 96 ASP H H 93 7.793 8.219 -0.426 1
1 1135 . 18 1 1 A 96 96 ASP HA H 93 4.703 4.923 -0.220 1
1 1138 . 18 1 1 A 96 96 ASP C C 93 179.474 175.869 3.605 1
1 1139 . 18 1 1 A 96 96 ASP CA C 93 53.103 53.449 -0.346 1
1 1140 . 18 1 1 A 96 96 ASP CB C 93 41.634 42.416 -0.782 1
1 1141 . 18 1 1 A 96 96 ASP N N 93 119.328 118.026 1.302 1
1 1142 . 18 1 1 A 97 97 SER H H 94 8.490 8.924 -0.434 1
1 1143 . 18 1 1 A 97 97 SER HA H 94 4.204 4.442 -0.238 1
1 1146 . 18 1 1 A 97 97 SER C C 94 175.549 174.949 0.600 1
1 1147 . 18 1 1 A 97 97 SER CA C 94 60.047 59.512 0.535 1
1 1148 . 18 1 1 A 97 97 SER CB C 94 63.408 62.978 0.430 1
1 1149 . 18 1 1 A 97 97 SER N N 94 118.740 120.644 -1.904 1
1 1150 . 18 1 1 A 98 98 ASP H H 95 8.229 8.173 0.056 1
1 1151 . 18 1 1 A 98 98 ASP HA H 95 4.684 4.534 0.150 1
1 1154 . 18 1 1 A 98 98 ASP C C 95 175.547 176.462 -0.915 1
1 1155 . 18 1 1 A 98 98 ASP CA C 95 54.380 54.545 -0.165 1
1 1156 . 18 1 1 A 98 98 ASP CB C 95 42.267 39.856 2.411 1
1 1157 . 18 1 1 A 98 98 ASP N N 95 121.306 117.489 3.817 1
1 1158 . 18 1 1 A 99 99 LEU H H 96 6.613 7.503 -0.890 1
1 1159 . 18 1 1 A 99 99 LEU HA H 96 4.801 5.254 -0.453 1
1 1169 . 18 1 1 A 99 99 LEU C C 96 176.224 176.355 -0.131 1
1 1170 . 18 1 1 A 99 99 LEU CA C 96 55.691 53.856 1.835 1
1 1171 . 18 1 1 A 99 99 LEU CB C 96 42.272 43.527 -1.255 1
1 1175 . 18 1 1 A 99 99 LEU N N 96 117.774 116.394 1.380 1
1 1176 . 18 1 1 A 100 100 TRP H H 97 9.750 9.477 0.273 1
1 1177 . 18 1 1 A 100 100 TRP HA H 97 4.757 5.417 -0.660 1
1 1186 . 18 1 1 A 100 100 TRP C C 97 176.737 175.520 1.217 1
1 1187 . 18 1 1 A 100 100 TRP CA C 97 55.634 55.992 -0.358 1
1 1188 . 18 1 1 A 100 100 TRP CB C 97 31.794 32.135 -0.341 1
1 1194 . 18 1 1 A 100 100 TRP N N 97 120.649 120.841 -0.192 1
1 1196 . 18 1 1 A 101 101 VAL H H 98 9.096 8.658 0.438 1
1 1197 . 18 1 1 A 101 101 VAL HA H 98 5.018 5.303 -0.285 1
1 1205 . 18 1 1 A 101 101 VAL C C 98 175.816 174.720 1.096 1
1 1206 . 18 1 1 A 101 101 VAL CA C 98 61.998 61.449 0.549 1
1 1207 . 18 1 1 A 101 101 VAL CB C 98 34.180 33.261 0.919 1
1 1210 . 18 1 1 A 101 101 VAL N N 98 117.960 122.904 -4.944 1
1 1211 . 18 1 1 A 102 102 VAL H H 99 9.113 9.060 0.053 1
1 1212 . 18 1 1 A 102 102 VAL HA H 99 4.546 4.899 -0.353 1
1 1220 . 18 1 1 A 102 102 VAL C C 99 173.388 174.668 -1.280 1
1 1221 . 18 1 1 A 102 102 VAL CA C 99 60.987 61.434 -0.447 1
1 1222 . 18 1 1 A 102 102 VAL CB C 99 34.654 34.065 0.589 1
1 1225 . 18 1 1 A 102 102 VAL N N 99 129.775 127.833 1.942 1
1 1226 . 18 1 1 A 103 103 GLU H H 100 9.226 8.804 0.422 1
1 1227 . 18 1 1 A 103 103 GLU HA H 100 5.376 4.751 0.625 1
1 1232 . 18 1 1 A 103 103 GLU C C 100 175.058 176.193 -1.135 1
1 1233 . 18 1 1 A 103 103 GLU CA C 100 54.158 55.822 -1.664 1
1 1234 . 18 1 1 A 103 103 GLU CB C 100 31.835 30.207 1.628 1
1 1236 . 18 1 1 A 103 103 GLU N N 100 128.249 127.005 1.244 1
1 1237 . 18 1 1 A 104 104 ILE H H 101 9.141 8.953 0.188 1
1 1238 . 18 1 1 A 104 104 ILE HA H 101 5.021 5.118 -0.097 1
1 1248 . 18 1 1 A 104 104 ILE C C 101 173.727 174.112 -0.385 1
1 1249 . 18 1 1 A 104 104 ILE CA C 101 59.226 59.414 -0.188 1
1 1250 . 18 1 1 A 104 104 ILE CB C 101 42.192 39.813 2.379 1
1 1254 . 18 1 1 A 104 104 ILE N N 101 118.638 121.302 -2.664 1
1 1255 . 18 1 1 A 105 105 GLU H H 102 9.018 8.981 0.037 1
1 1256 . 18 1 1 A 105 105 GLU HA H 102 4.800 5.218 -0.418 1
1 1261 . 18 1 1 A 105 105 GLU C C 102 174.832 175.388 -0.556 1
1 1262 . 18 1 1 A 105 105 GLU CA C 102 55.362 54.795 0.567 1
1 1263 . 18 1 1 A 105 105 GLU CB C 102 31.160 32.458 -1.298 1
1 1265 . 18 1 1 A 105 105 GLU N N 102 125.842 123.580 2.262 1
1 1266 . 18 1 1 A 106 106 THR H H 103 7.678 8.494 -0.816 1
1 1267 . 18 1 1 A 106 106 THR HA H 103 4.424 4.943 -0.519 1
1 1272 . 18 1 1 A 106 106 THR C C 103 172.175 173.063 -0.888 1
1 1273 . 18 1 1 A 106 106 THR CA C 103 60.772 60.259 0.513 1
1 1274 . 18 1 1 A 106 106 THR CB C 103 67.599 70.154 -2.555 1
1 1276 . 18 1 1 A 106 106 THR N N 103 118.569 120.046 -1.477 1
1 1277 . 18 1 1 A 107 107 ASP H H 104 8.400 9.025 -0.625 1
1 1278 . 18 1 1 A 107 107 ASP HA H 104 4.635 4.567 0.068 1
1 1281 . 18 1 1 A 107 107 ASP C C 104 176.214 176.257 -0.043 1
1 1282 . 18 1 1 A 107 107 ASP CA C 104 55.771 55.506 0.265 1
1 1283 . 18 1 1 A 107 107 ASP CB C 104 41.463 41.325 0.138 1
1 1284 . 18 1 1 A 107 107 ASP N N 104 125.388 124.979 0.409 1
1 1285 . 18 1 1 A 108 108 GLU H H 105 7.995 7.112 0.883 1
1 1286 . 18 1 1 A 108 108 GLU HA H 105 4.524 4.792 -0.268 1
1 1291 . 18 1 1 A 108 108 GLU C C 105 175.340 176.108 -0.768 1
1 1292 . 18 1 1 A 108 108 GLU CA C 105 54.564 54.962 -0.398 1
1 1293 . 18 1 1 A 108 108 GLU CB C 105 30.953 32.117 -1.164 1
1 1295 . 18 1 1 A 108 108 GLU N N 105 120.222 116.343 3.879 1
1 1296 . 18 1 1 A 109 109 ILE H H 106 8.389 8.843 -0.454 1
1 1297 . 18 1 1 A 109 109 ILE HA H 106 3.853 4.049 -0.196 1
1 1307 . 18 1 1 A 109 109 ILE C C 106 176.324 177.812 -1.488 1
1 1308 . 18 1 1 A 109 109 ILE CA C 106 60.148 63.826 -3.678 1
1 1309 . 18 1 1 A 109 109 ILE CB C 106 38.950 38.844 0.106 1
1 1313 . 18 1 1 A 109 109 ILE N N 106 124.088 123.975 0.113 1
1 1314 . 18 1 1 A 110 110 GLY H H 107 8.534 8.518 0.016 1
1 1315 . 18 1 1 A 110 110 GLY HA2 H 107 3.744 3.717 0.027 1
1 1316 . 18 1 1 A 110 110 GLY HA3 H 107 3.705 3.740 -0.035 1
1 1317 . 18 1 1 A 110 110 GLY C C 107 175.021 176.167 -1.146 1
1 1318 . 18 1 1 A 110 110 GLY CA C 107 46.530 47.543 -1.013 1
1 1319 . 18 1 1 A 110 110 GLY N N 107 109.224 109.384 -0.160 1
1 1320 . 18 1 1 A 111 111 THR H H 108 7.892 8.026 -0.134 1
1 1321 . 18 1 1 A 111 111 THR HA H 108 4.255 4.060 0.195 1
1 1326 . 18 1 1 A 111 111 THR C C 108 175.417 175.346 0.071 1
1 1327 . 18 1 1 A 111 111 THR CA C 108 61.287 65.053 -3.766 1
1 1328 . 18 1 1 A 111 111 THR CB C 108 68.657 68.793 -0.136 1
1 1330 . 18 1 1 A 111 111 THR N N 108 111.278 116.610 -5.332 1
1 1331 . 18 1 1 A 112 112 LEU H H 109 7.950 7.267 0.683 1
1 1332 . 18 1 1 A 112 112 LEU HA H 109 3.887 4.592 -0.705 1
1 1342 . 18 1 1 A 112 112 LEU C C 109 175.715 176.075 -0.360 1
1 1343 . 18 1 1 A 112 112 LEU CA C 109 56.661 54.286 2.375 1
1 1344 . 18 1 1 A 112 112 LEU CB C 109 43.310 43.453 -0.143 1
1 1348 . 18 1 1 A 112 112 LEU N N 109 122.017 114.043 7.974 1
1 1349 . 18 1 1 A 113 113 LEU H H 110 7.003 7.257 -0.254 1
1 1350 . 18 1 1 A 113 113 LEU HA H 110 4.327 4.525 -0.198 1
1 1360 . 18 1 1 A 113 113 LEU C C 110 175.563 174.202 1.361 1
1 1361 . 18 1 1 A 113 113 LEU CA C 110 52.377 54.784 -2.407 1
1 1362 . 18 1 1 A 113 113 LEU CB C 110 44.890 43.991 0.899 1
1 1366 . 18 1 1 A 113 113 LEU N N 110 113.184 120.161 -6.977 1
1 1367 . 18 1 1 A 114 114 THR H H 111 9.101 8.808 0.293 1
1 1368 . 18 1 1 A 114 114 THR HA H 111 4.079 4.689 -0.610 1
1 1373 . 18 1 1 A 114 114 THR C C 111 173.117 174.072 -0.955 1
1 1374 . 18 1 1 A 114 114 THR CA C 111 62.838 62.367 0.471 1
1 1375 . 18 1 1 A 114 114 THR CB C 111 68.245 69.975 -1.730 1
1 1377 . 18 1 1 A 114 114 THR N N 111 119.602 123.168 -3.566 1
1 1378 . 18 1 1 A 115 115 LEU H H 112 8.461 8.644 -0.183 1
1 1379 . 18 1 1 A 115 115 LEU HA H 112 4.985 5.377 -0.392 1
1 1389 . 18 1 1 A 115 115 LEU C C 112 178.488 177.526 0.962 1
1 1390 . 18 1 1 A 115 115 LEU CA C 112 52.953 53.514 -0.561 1
1 1391 . 18 1 1 A 115 115 LEU CB C 112 43.316 45.230 -1.914 1
1 1395 . 18 1 1 A 115 115 LEU N N 112 129.372 126.434 2.938 1
1 1396 . 18 1 1 A 116 116 VAL H H 113 8.550 9.089 -0.539 1
1 1397 . 18 1 1 A 116 116 VAL HA H 113 4.141 3.858 0.283 1
1 1405 . 18 1 1 A 116 116 VAL C C 113 175.638 177.355 -1.717 1
1 1406 . 18 1 1 A 116 116 VAL CA C 113 61.559 65.111 -3.552 1
1 1407 . 18 1 1 A 116 116 VAL CB C 113 32.128 31.608 0.520 1
1 1410 . 18 1 1 A 116 116 VAL N N 113 117.300 122.351 -5.051 1
1 1411 . 18 1 1 A 117 117 ASP H H 114 8.095 8.038 0.057 1
1 1412 . 18 1 1 A 117 117 ASP HA H 114 4.561 4.375 0.186 1
1 1415 . 18 1 1 A 117 117 ASP C C 114 175.610 176.661 -1.051 1
1 1416 . 18 1 1 A 117 117 ASP CA C 114 53.586 57.418 -3.832 1
1 1417 . 18 1 1 A 117 117 ASP CB C 114 41.131 41.653 -0.522 1
1 1418 . 18 1 1 A 117 117 ASP N N 114 121.410 121.762 -0.352 1
1 1419 . 18 1 1 A 118 118 GLN H H 115 8.048 7.727 0.321 1
1 1420 . 18 1 1 A 118 118 GLN HA H 115 4.539 4.531 0.008 1
1 1427 . 18 1 1 A 118 118 GLN CA C 115 53.464 54.151 -0.687 1
1 1428 . 18 1 1 A 118 118 GLN CB C 115 29.143 28.062 1.081 1
1 1430 . 18 1 1 A 118 118 GLN N N 115 120.387 118.053 2.334 1
1 1432 . 18 1 1 A 119 119 PRO HA H 116 4.314 4.401 -0.087 1
1 1439 . 18 1 1 A 119 119 PRO C C 116 176.819 176.543 0.276 1
1 1440 . 18 1 1 A 119 119 PRO CA C 116 63.073 65.338 -2.265 1
1 1441 . 18 1 1 A 119 119 PRO CB C 116 32.117 31.630 0.487 1
1 1444 . 18 1 1 A 120 120 GLN H H 117 8.404 7.691 0.713 1
1 1445 . 18 1 1 A 120 120 GLN HA H 117 4.172 4.772 -0.600 1
1 1452 . 18 1 1 A 120 120 GLN C C 117 174.745 175.140 -0.395 1
1 1453 . 18 1 1 A 120 120 GLN CA C 117 55.531 54.172 1.359 1
1 1454 . 18 1 1 A 120 120 GLN CB C 117 29.529 33.126 -3.597 1
1 1456 . 18 1 1 A 120 120 GLN N N 117 121.403 116.050 5.353 1
1 14 . 19 1 1 A 5 5 ARG H H 2 8.281 8.762 -0.481 1
1 15 . 19 1 1 A 5 5 ARG HA H 2 4.126 4.743 -0.617 1
1 22 . 19 1 1 A 5 5 ARG C C 2 176.387 175.767 0.620 1
1 23 . 19 1 1 A 5 5 ARG CA C 2 56.556 56.118 0.438 1
1 24 . 19 1 1 A 5 5 ARG CB C 2 30.698 30.888 -0.190 1
1 27 . 19 1 1 A 5 5 ARG N N 2 123.269 124.073 -0.804 1
1 28 . 19 1 1 A 6 6 LEU H H 3 8.527 8.621 -0.094 1
1 29 . 19 1 1 A 6 6 LEU HA H 3 4.414 4.880 -0.466 1
1 39 . 19 1 1 A 6 6 LEU C C 3 178.040 175.807 2.233 1
1 40 . 19 1 1 A 6 6 LEU CA C 3 54.270 53.658 0.612 1
1 41 . 19 1 1 A 6 6 LEU CB C 3 43.612 44.648 -1.036 1
1 45 . 19 1 1 A 6 6 LEU N N 3 125.588 120.448 5.140 1
1 46 . 19 1 1 A 7 7 LYS H H 4 8.646 8.744 -0.098 1
1 47 . 19 1 1 A 7 7 LYS HA H 4 4.524 4.331 0.193 1
1 56 . 19 1 1 A 7 7 LYS C C 4 178.029 178.351 -0.322 1
1 57 . 19 1 1 A 7 7 LYS CA C 4 57.051 56.194 0.857 1
1 58 . 19 1 1 A 7 7 LYS CB C 4 32.877 33.270 -0.393 1
1 62 . 19 1 1 A 7 7 LYS N N 4 123.765 120.865 2.900 1
1 63 . 19 1 1 A 8 8 SER H H 5 8.316 8.422 -0.106 1
1 64 . 19 1 1 A 8 8 SER HA H 5 3.720 4.039 -0.319 1
1 67 . 19 1 1 A 8 8 SER C C 5 174.858 176.134 -1.276 1
1 68 . 19 1 1 A 8 8 SER CA C 5 63.553 61.623 1.930 1
1 69 . 19 1 1 A 8 8 SER CB C 5 62.382 62.781 -0.399 1
1 70 . 19 1 1 A 8 8 SER N N 5 122.163 117.107 5.056 1
1 71 . 19 1 1 A 9 9 GLU H H 6 8.913 8.001 0.912 1
1 72 . 19 1 1 A 9 9 GLU HA H 6 3.401 2.994 0.407 1
1 77 . 19 1 1 A 9 9 GLU C C 6 177.494 178.527 -1.033 1
1 78 . 19 1 1 A 9 9 GLU CA C 6 59.824 58.730 1.094 1
1 79 . 19 1 1 A 9 9 GLU CB C 6 29.780 29.134 0.646 1
1 81 . 19 1 1 A 9 9 GLU N N 6 118.372 121.601 -3.229 1
1 82 . 19 1 1 A 10 10 MET H H 7 6.642 7.962 -1.320 1
1 83 . 19 1 1 A 10 10 MET HA H 7 4.200 4.170 0.030 1
1 91 . 19 1 1 A 10 10 MET C C 7 178.173 178.156 0.017 1
1 92 . 19 1 1 A 10 10 MET CA C 7 57.360 58.088 -0.728 1
1 93 . 19 1 1 A 10 10 MET CB C 7 32.761 32.217 0.544 1
1 96 . 19 1 1 A 10 10 MET N N 7 117.318 119.131 -1.813 1
1 97 . 19 1 1 A 11 11 PHE H H 8 8.432 7.952 0.480 1
1 98 . 19 1 1 A 11 11 PHE HA H 8 3.718 4.071 -0.353 1
1 105 . 19 1 1 A 11 11 PHE C C 8 177.603 177.209 0.394 1
1 106 . 19 1 1 A 11 11 PHE CA C 8 61.845 61.599 0.246 1
1 107 . 19 1 1 A 11 11 PHE CB C 8 38.595 39.162 -0.567 1
1 112 . 19 1 1 A 11 11 PHE N N 8 122.099 121.260 0.839 1
1 113 . 19 1 1 A 12 12 VAL H H 9 8.133 8.243 -0.110 1
1 114 . 19 1 1 A 12 12 VAL HA H 9 3.021 3.580 -0.559 1
1 122 . 19 1 1 A 12 12 VAL C C 9 176.668 178.044 -1.376 1
1 123 . 19 1 1 A 12 12 VAL CA C 9 67.353 66.552 0.801 1
1 124 . 19 1 1 A 12 12 VAL CB C 9 31.238 31.502 -0.264 1
1 127 . 19 1 1 A 12 12 VAL N N 9 119.317 119.433 -0.116 1
1 128 . 19 1 1 A 13 13 SER H H 10 7.750 7.792 -0.042 1
1 129 . 19 1 1 A 13 13 SER HA H 10 3.905 4.082 -0.177 1
1 132 . 19 1 1 A 13 13 SER C C 10 176.947 176.251 0.696 1
1 133 . 19 1 1 A 13 13 SER CA C 10 61.775 62.056 -0.281 1
1 134 . 19 1 1 A 13 13 SER CB C 10 62.483 62.798 -0.315 1
1 135 . 19 1 1 A 13 13 SER N N 10 114.115 114.753 -0.638 1
1 136 . 19 1 1 A 14 14 ALA H H 11 7.776 7.718 0.058 1
1 137 . 19 1 1 A 14 14 ALA HA H 11 3.860 4.028 -0.168 1
1 141 . 19 1 1 A 14 14 ALA C C 11 179.154 179.780 -0.626 1
1 142 . 19 1 1 A 14 14 ALA CA C 11 54.811 54.777 0.034 1
1 143 . 19 1 1 A 14 14 ALA CB C 11 17.641 18.159 -0.518 1
1 144 . 19 1 1 A 14 14 ALA N N 11 123.170 123.171 -0.001 1
1 145 . 19 1 1 A 15 15 LEU H H 12 7.732 7.939 -0.207 1
1 146 . 19 1 1 A 15 15 LEU HA H 12 3.636 3.859 -0.223 1
1 156 . 19 1 1 A 15 15 LEU C C 12 177.617 179.039 -1.422 1
1 157 . 19 1 1 A 15 15 LEU CA C 12 57.790 57.577 0.213 1
1 158 . 19 1 1 A 15 15 LEU CB C 12 41.352 41.384 -0.032 1
1 162 . 19 1 1 A 15 15 LEU N N 12 121.171 119.255 1.916 1
1 163 . 19 1 1 A 16 16 ILE H H 13 8.037 8.162 -0.125 1
1 164 . 19 1 1 A 16 16 ILE HA H 13 3.061 3.536 -0.475 1
1 174 . 19 1 1 A 16 16 ILE C C 13 177.708 177.859 -0.151 1
1 175 . 19 1 1 A 16 16 ILE CA C 13 65.872 65.041 0.831 1
1 176 . 19 1 1 A 16 16 ILE CB C 13 37.704 37.770 -0.066 1
1 180 . 19 1 1 A 16 16 ILE N N 13 117.849 120.129 -2.280 1
1 181 . 19 1 1 A 17 17 ARG H H 14 7.537 7.739 -0.202 1
1 182 . 19 1 1 A 17 17 ARG HA H 14 3.980 4.097 -0.117 1
1 189 . 19 1 1 A 17 17 ARG C C 14 179.876 178.946 0.930 1
1 190 . 19 1 1 A 17 17 ARG CA C 14 59.920 59.267 0.653 1
1 191 . 19 1 1 A 17 17 ARG CB C 14 29.995 29.388 0.607 1
1 194 . 19 1 1 A 17 17 ARG N N 14 117.366 120.466 -3.100 1
1 195 . 19 1 1 A 18 18 ARG H H 15 8.068 7.799 0.269 1
1 196 . 19 1 1 A 18 18 ARG HA H 15 3.868 3.997 -0.129 1
1 203 . 19 1 1 A 18 18 ARG C C 15 176.630 178.806 -2.176 1
1 204 . 19 1 1 A 18 18 ARG CA C 15 59.606 59.343 0.263 1
1 205 . 19 1 1 A 18 18 ARG CB C 15 30.327 30.427 -0.100 1
1 208 . 19 1 1 A 18 18 ARG N N 15 119.713 119.649 0.064 1
1 209 . 19 1 1 A 19 19 VAL H H 16 8.259 7.494 0.765 1
1 210 . 19 1 1 A 19 19 VAL HA H 16 3.296 3.737 -0.441 1
1 218 . 19 1 1 A 19 19 VAL C C 16 177.306 178.083 -0.777 1
1 219 . 19 1 1 A 19 19 VAL CA C 16 66.667 65.305 1.362 1
1 220 . 19 1 1 A 19 19 VAL CB C 16 30.421 31.413 -0.992 1
1 223 . 19 1 1 A 19 19 VAL N N 16 121.385 116.356 5.029 1
1 224 . 19 1 1 A 20 20 PHE H H 17 8.014 7.723 0.291 1
1 225 . 19 1 1 A 20 20 PHE HA H 17 4.222 4.190 0.032 1
1 233 . 19 1 1 A 20 20 PHE C C 17 180.973 178.007 2.966 1
1 234 . 19 1 1 A 20 20 PHE CA C 17 61.988 61.496 0.492 1
1 235 . 19 1 1 A 20 20 PHE CB C 17 38.553 37.767 0.786 1
1 241 . 19 1 1 A 20 20 PHE N N 17 118.811 120.459 -1.648 1
1 242 . 19 1 1 A 21 21 ALA H H 18 8.192 8.044 0.148 1
1 243 . 19 1 1 A 21 21 ALA HA H 18 4.096 4.100 -0.004 1
1 247 . 19 1 1 A 21 21 ALA C C 18 178.425 179.511 -1.086 1
1 248 . 19 1 1 A 21 21 ALA CA C 18 54.716 54.833 -0.117 1
1 249 . 19 1 1 A 21 21 ALA CB C 18 17.752 18.103 -0.351 1
1 250 . 19 1 1 A 21 21 ALA N N 18 122.995 121.867 1.128 1
1 251 . 19 1 1 A 22 22 ALA H H 19 7.256 7.249 0.007 1
1 252 . 19 1 1 A 22 22 ALA HA H 19 4.356 4.360 -0.004 1
1 256 . 19 1 1 A 22 22 ALA C C 19 177.665 177.525 0.140 1
1 257 . 19 1 1 A 22 22 ALA CA C 19 51.629 52.126 -0.497 1
1 258 . 19 1 1 A 22 22 ALA CB C 19 18.554 19.383 -0.829 1
1 259 . 19 1 1 A 22 22 ALA N N 19 118.872 117.384 1.488 1
1 260 . 19 1 1 A 23 23 GLY H H 20 7.774 7.849 -0.075 1
1 261 . 19 1 1 A 23 23 GLY HA2 H 20 4.207 3.979 0.228 1
1 262 . 19 1 1 A 23 23 GLY HA3 H 20 3.762 4.004 -0.242 1
1 263 . 19 1 1 A 23 23 GLY C C 20 174.779 174.977 -0.198 1
1 264 . 19 1 1 A 23 23 GLY CA C 20 45.347 45.121 0.226 1
1 265 . 19 1 1 A 23 23 GLY N N 20 106.718 106.694 0.024 1
1 266 . 19 1 1 A 24 24 GLY H H 21 7.795 7.819 -0.024 1
1 267 . 19 1 1 A 24 24 GLY HA2 H 21 4.538 3.933 0.605 1
1 268 . 19 1 1 A 24 24 GLY HA3 H 21 3.306 3.970 -0.664 1
1 269 . 19 1 1 A 24 24 GLY C C 21 171.187 172.014 -0.827 1
1 270 . 19 1 1 A 24 24 GLY CA C 21 43.665 44.338 -0.673 1
1 271 . 19 1 1 A 24 24 GLY N N 21 108.369 107.721 0.648 1
1 272 . 19 1 1 A 25 25 PHE H H 22 7.340 8.550 -1.210 1
1 273 . 19 1 1 A 25 25 PHE HA H 22 3.784 4.387 -0.603 1
1 280 . 19 1 1 A 25 25 PHE C C 22 172.423 173.926 -1.503 1
1 281 . 19 1 1 A 25 25 PHE CA C 22 56.434 55.966 0.468 1
1 282 . 19 1 1 A 25 25 PHE CB C 22 42.819 42.757 0.062 1
1 287 . 19 1 1 A 25 25 PHE N N 22 117.754 120.432 -2.678 1
1 288 . 19 1 1 A 26 26 ALA H H 23 5.579 7.835 -2.256 1
1 289 . 19 1 1 A 26 26 ALA HA H 23 4.943 5.108 -0.165 1
1 293 . 19 1 1 A 26 26 ALA C C 23 173.842 175.315 -1.473 1
1 294 . 19 1 1 A 26 26 ALA CA C 23 50.257 51.068 -0.811 1
1 295 . 19 1 1 A 26 26 ALA CB C 23 25.150 23.555 1.595 1
1 296 . 19 1 1 A 26 26 ALA N N 23 126.477 127.457 -0.980 1
1 297 . 19 1 1 A 27 27 ALA H H 24 8.723 8.235 0.488 1
1 298 . 19 1 1 A 27 27 ALA HA H 24 4.330 4.819 -0.489 1
1 302 . 19 1 1 A 27 27 ALA C C 24 175.543 175.498 0.045 1
1 303 . 19 1 1 A 27 27 ALA CA C 24 51.545 51.841 -0.296 1
1 304 . 19 1 1 A 27 27 ALA CB C 24 22.974 22.065 0.909 1
1 305 . 19 1 1 A 27 27 ALA N N 24 118.178 120.057 -1.879 1
1 306 . 19 1 1 A 28 28 VAL H H 25 8.841 9.012 -0.171 1
1 307 . 19 1 1 A 28 28 VAL HA H 25 3.972 4.487 -0.515 1
1 315 . 19 1 1 A 28 28 VAL C C 25 175.547 174.983 0.564 1
1 316 . 19 1 1 A 28 28 VAL CA C 25 64.153 62.029 2.124 1
1 317 . 19 1 1 A 28 28 VAL CB C 25 31.951 32.078 -0.127 1
1 320 . 19 1 1 A 28 28 VAL N N 25 120.857 124.312 -3.455 1
1 321 . 19 1 1 A 29 29 GLU H H 26 8.595 8.870 -0.275 1
1 322 . 19 1 1 A 29 29 GLU HA H 26 4.275 4.351 -0.076 1
1 327 . 19 1 1 A 29 29 GLU C C 26 176.177 176.395 -0.218 1
1 328 . 19 1 1 A 29 29 GLU CA C 26 57.686 58.632 -0.946 1
1 329 . 19 1 1 A 29 29 GLU CB C 26 30.521 30.588 -0.067 1
1 331 . 19 1 1 A 29 29 GLU N N 26 132.091 130.123 1.968 1
1 332 . 19 1 1 A 30 30 LYS H H 27 8.163 7.394 0.769 1
1 333 . 19 1 1 A 30 30 LYS HA H 27 4.352 4.705 -0.353 1
1 342 . 19 1 1 A 30 30 LYS C C 27 174.232 175.108 -0.876 1
1 343 . 19 1 1 A 30 30 LYS CA C 27 55.370 55.519 -0.149 1
1 344 . 19 1 1 A 30 30 LYS CB C 27 36.138 34.096 2.042 1
1 348 . 19 1 1 A 30 30 LYS N N 27 119.899 119.259 0.640 1
1 349 . 19 1 1 A 31 31 LYS H H 28 8.603 8.556 0.047 1
1 350 . 19 1 1 A 31 31 LYS HA H 28 3.268 4.166 -0.898 1
1 359 . 19 1 1 A 31 31 LYS C C 28 175.170 174.671 0.499 1
1 360 . 19 1 1 A 31 31 LYS CA C 28 56.089 53.765 2.324 1
1 361 . 19 1 1 A 31 31 LYS CB C 28 32.386 35.697 -3.311 1
1 365 . 19 1 1 A 31 31 LYS N N 28 129.067 126.137 2.930 1
1 366 . 19 1 1 A 32 32 GLY H H 29 3.335 6.571 -3.236 1
1 367 . 19 1 1 A 32 32 GLY HA2 H 29 3.652 4.012 -0.360 1
1 368 . 19 1 1 A 32 32 GLY HA3 H 29 2.313 4.080 -1.767 1
1 369 . 19 1 1 A 32 32 GLY C C 29 172.863 172.787 0.076 1
1 370 . 19 1 1 A 32 32 GLY CA C 29 43.344 45.107 -1.763 1
1 371 . 19 1 1 A 32 32 GLY N N 29 113.639 110.919 2.720 1
1 372 . 19 1 1 A 33 33 ALA H H 30 8.202 8.068 0.134 1
1 373 . 19 1 1 A 33 33 ALA HA H 30 4.173 4.566 -0.393 1
1 377 . 19 1 1 A 33 33 ALA C C 30 181.026 178.576 2.450 1
1 378 . 19 1 1 A 33 33 ALA CA C 30 52.674 51.705 0.969 1
1 379 . 19 1 1 A 33 33 ALA CB C 30 19.020 19.756 -0.736 1
1 380 . 19 1 1 A 33 33 ALA N N 30 121.182 125.823 -4.641 1
1 381 . 19 1 1 A 34 34 GLU H H 31 9.313 9.233 0.080 1
1 382 . 19 1 1 A 34 34 GLU HA H 31 4.130 4.111 0.019 1
1 387 . 19 1 1 A 34 34 GLU C C 31 177.137 178.575 -1.438 1
1 388 . 19 1 1 A 34 34 GLU CA C 31 61.214 59.338 1.876 1
1 389 . 19 1 1 A 34 34 GLU CB C 31 29.947 29.625 0.322 1
1 391 . 19 1 1 A 34 34 GLU N N 31 126.206 122.734 3.472 1
1 392 . 19 1 1 A 35 35 ALA H H 32 8.614 8.108 0.506 1
1 393 . 19 1 1 A 35 35 ALA HA H 32 4.377 4.306 0.071 1
1 397 . 19 1 1 A 35 35 ALA C C 32 180.260 179.398 0.862 1
1 398 . 19 1 1 A 35 35 ALA CA C 32 55.118 54.359 0.759 1
1 399 . 19 1 1 A 35 35 ALA CB C 32 18.192 19.352 -1.160 1
1 400 . 19 1 1 A 35 35 ALA N N 32 119.251 121.476 -2.225 1
1 401 . 19 1 1 A 36 36 ALA H H 33 8.467 7.585 0.882 1
1 402 . 19 1 1 A 36 36 ALA HA H 33 4.612 4.315 0.297 1
1 406 . 19 1 1 A 36 36 ALA C C 33 177.468 177.955 -0.487 1
1 407 . 19 1 1 A 36 36 ALA CA C 33 51.190 52.603 -1.413 1
1 408 . 19 1 1 A 36 36 ALA CB C 33 19.451 19.335 0.116 1
1 409 . 19 1 1 A 36 36 ALA N N 33 120.927 118.551 2.376 1
1 410 . 19 1 1 A 37 37 GLY H H 34 7.445 7.879 -0.434 1
1 411 . 19 1 1 A 37 37 GLY HA2 H 34 4.143 4.143 0.000 1
1 412 . 19 1 1 A 37 37 GLY HA3 H 34 4.010 4.256 -0.246 1
1 413 . 19 1 1 A 37 37 GLY C C 34 174.885 173.596 1.289 1
1 414 . 19 1 1 A 37 37 GLY CA C 34 46.790 45.074 1.716 1
1 415 . 19 1 1 A 37 37 GLY N N 34 105.715 106.784 -1.069 1
1 416 . 19 1 1 A 38 38 ALA H H 35 9.722 7.856 1.866 1
1 417 . 19 1 1 A 38 38 ALA HA H 35 4.053 4.384 -0.331 1
1 421 . 19 1 1 A 38 38 ALA CA C 35 52.676 51.667 1.009 1
1 422 . 19 1 1 A 38 38 ALA CB C 35 20.069 20.076 -0.007 1
1 423 . 19 1 1 A 38 38 ALA N N 35 131.782 122.236 9.546 1
1 424 . 19 1 1 A 39 39 ILE H H 36 7.776 8.306 -0.530 1
1 425 . 19 1 1 A 39 39 ILE HA H 36 4.533 4.933 -0.400 1
1 435 . 19 1 1 A 39 39 ILE C C 36 172.754 174.661 -1.907 1
1 436 . 19 1 1 A 39 39 ILE CA C 36 61.429 60.534 0.895 1
1 437 . 19 1 1 A 39 39 ILE CB C 36 40.275 40.902 -0.627 1
1 441 . 19 1 1 A 39 39 ILE N N 36 119.692 120.539 -0.847 1
1 442 . 19 1 1 A 40 40 PHE H H 37 8.513 9.286 -0.773 1
1 443 . 19 1 1 A 40 40 PHE HA H 37 5.242 5.752 -0.510 1
1 448 . 19 1 1 A 40 40 PHE C C 37 175.559 174.528 1.031 1
1 449 . 19 1 1 A 40 40 PHE CA C 37 56.375 56.754 -0.379 1
1 450 . 19 1 1 A 40 40 PHE CB C 37 41.794 40.817 0.977 1
1 453 . 19 1 1 A 40 40 PHE N N 37 123.003 125.714 -2.711 1
1 454 . 19 1 1 A 41 41 VAL H H 38 8.898 9.290 -0.392 1
1 455 . 19 1 1 A 41 41 VAL HA H 38 4.981 5.417 -0.436 1
1 463 . 19 1 1 A 41 41 VAL C C 38 174.233 175.552 -1.319 1
1 464 . 19 1 1 A 41 41 VAL CA C 38 60.287 60.871 -0.584 1
1 465 . 19 1 1 A 41 41 VAL CB C 38 35.122 34.782 0.340 1
1 468 . 19 1 1 A 41 41 VAL N N 38 120.239 123.009 -2.770 1
1 469 . 19 1 1 A 42 42 ARG H H 39 9.399 9.001 0.398 1
1 470 . 19 1 1 A 42 42 ARG HA H 39 5.094 5.507 -0.413 1
1 478 . 19 1 1 A 42 42 ARG C C 39 173.198 174.819 -1.621 1
1 479 . 19 1 1 A 42 42 ARG CA C 39 54.067 55.159 -1.092 1
1 480 . 19 1 1 A 42 42 ARG CB C 39 33.430 32.657 0.773 1
1 483 . 19 1 1 A 42 42 ARG N N 39 129.107 124.897 4.210 1
1 485 . 19 1 1 A 43 43 GLN H H 40 9.402 8.905 0.497 1
1 486 . 19 1 1 A 43 43 GLN HA H 40 5.371 4.979 0.392 1
1 493 . 19 1 1 A 43 43 GLN C C 40 174.278 174.607 -0.329 1
1 494 . 19 1 1 A 43 43 GLN CA C 40 52.778 55.742 -2.964 1
1 495 . 19 1 1 A 43 43 GLN CB C 40 31.703 30.171 1.532 1
1 497 . 19 1 1 A 43 43 GLN N N 40 127.936 124.069 3.867 1
1 499 . 19 1 1 A 44 44 ARG H H 41 8.875 8.873 0.002 1
1 500 . 19 1 1 A 44 44 ARG HA H 41 4.488 4.939 -0.451 1
1 507 . 19 1 1 A 44 44 ARG C C 41 175.417 175.190 0.227 1
1 508 . 19 1 1 A 44 44 ARG CA C 41 56.319 54.458 1.861 1
1 509 . 19 1 1 A 44 44 ARG CB C 41 31.231 32.872 -1.641 1
1 512 . 19 1 1 A 44 44 ARG N N 41 127.617 127.375 0.242 1
1 513 . 19 1 1 A 45 45 LEU H H 42 8.494 9.048 -0.554 1
1 514 . 19 1 1 A 45 45 LEU HA H 42 4.480 4.694 -0.214 1
1 524 . 19 1 1 A 45 45 LEU C C 42 179.893 178.120 1.773 1
1 525 . 19 1 1 A 45 45 LEU CA C 42 53.972 53.914 0.058 1
1 526 . 19 1 1 A 45 45 LEU CB C 42 42.206 42.380 -0.174 1
1 530 . 19 1 1 A 45 45 LEU N N 42 125.380 127.552 -2.172 1
1 531 . 19 1 1 A 46 46 ARG H H 43 9.223 8.845 0.378 1
1 532 . 19 1 1 A 46 46 ARG HA H 43 3.929 4.089 -0.160 1
1 539 . 19 1 1 A 46 46 ARG C C 43 177.114 177.803 -0.689 1
1 540 . 19 1 1 A 46 46 ARG CA C 43 58.773 58.897 -0.124 1
1 541 . 19 1 1 A 46 46 ARG CB C 43 29.688 29.753 -0.065 1
1 544 . 19 1 1 A 46 46 ARG N N 43 121.380 122.427 -1.047 1
1 545 . 19 1 1 A 47 47 ASP H H 44 7.727 7.945 -0.218 1
1 546 . 19 1 1 A 47 47 ASP HA H 44 4.373 4.543 -0.170 1
1 549 . 19 1 1 A 47 47 ASP C C 44 177.125 176.387 0.738 1
1 550 . 19 1 1 A 47 47 ASP CA C 44 53.256 54.453 -1.197 1
1 551 . 19 1 1 A 47 47 ASP CB C 44 39.993 41.063 -1.070 1
1 552 . 19 1 1 A 47 47 ASP N N 44 115.801 117.827 -2.026 1
1 553 . 19 1 1 A 48 48 GLY H H 45 7.878 7.750 0.128 1
1 554 . 19 1 1 A 48 48 GLY HA2 H 45 4.237 3.931 0.306 1
1 555 . 19 1 1 A 48 48 GLY HA3 H 45 3.531 3.933 -0.402 1
1 556 . 19 1 1 A 48 48 GLY C C 45 175.041 174.084 0.957 1
1 557 . 19 1 1 A 48 48 GLY CA C 45 45.289 45.079 0.210 1
1 558 . 19 1 1 A 48 48 GLY N N 45 108.005 106.051 1.954 1
1 559 . 19 1 1 A 49 49 ARG H H 46 7.696 7.761 -0.065 1
1 560 . 19 1 1 A 49 49 ARG HA H 46 4.309 4.630 -0.321 1
1 567 . 19 1 1 A 49 49 ARG C C 46 174.199 175.327 -1.128 1
1 568 . 19 1 1 A 49 49 ARG CA C 46 55.909 55.615 0.294 1
1 569 . 19 1 1 A 49 49 ARG CB C 46 31.226 31.810 -0.584 1
1 572 . 19 1 1 A 49 49 ARG N N 46 120.601 120.451 0.150 1
1 573 . 19 1 1 A 50 50 GLU H H 47 8.885 8.548 0.337 1
1 574 . 19 1 1 A 50 50 GLU HA H 47 5.381 5.644 -0.263 1
1 579 . 19 1 1 A 50 50 GLU C C 47 175.590 175.601 -0.011 1
1 580 . 19 1 1 A 50 50 GLU CA C 47 55.057 54.684 0.373 1
1 581 . 19 1 1 A 50 50 GLU CB C 47 35.650 34.313 1.337 1
1 583 . 19 1 1 A 50 50 GLU N N 47 116.439 118.720 -2.281 1
1 584 . 19 1 1 A 51 51 ASN H H 48 8.683 8.821 -0.138 1
1 585 . 19 1 1 A 51 51 ASN HA H 48 5.153 5.440 -0.287 1
1 590 . 19 1 1 A 51 51 ASN C C 48 173.562 173.224 0.338 1
1 591 . 19 1 1 A 51 51 ASN CA C 48 50.361 52.001 -1.640 1
1 592 . 19 1 1 A 51 51 ASN CB C 48 41.823 42.540 -0.717 1
1 593 . 19 1 1 A 51 51 ASN N N 48 114.752 118.572 -3.820 1
1 595 . 19 1 1 A 52 52 LEU H H 49 8.847 8.430 0.417 1
1 596 . 19 1 1 A 52 52 LEU HA H 49 5.274 5.076 0.198 1
1 606 . 19 1 1 A 52 52 LEU C C 49 174.213 174.227 -0.014 1
1 607 . 19 1 1 A 52 52 LEU CA C 49 52.889 53.278 -0.389 1
1 608 . 19 1 1 A 52 52 LEU CB C 49 46.300 44.472 1.828 1
1 612 . 19 1 1 A 52 52 LEU N N 49 120.365 125.736 -5.371 1
1 613 . 19 1 1 A 53 53 TYR H H 50 9.641 9.317 0.324 1
1 614 . 19 1 1 A 53 53 TYR HA H 50 5.519 5.793 -0.274 1
1 621 . 19 1 1 A 53 53 TYR C C 50 175.473 175.543 -0.070 1
1 622 . 19 1 1 A 53 53 TYR CA C 50 55.928 55.728 0.200 1
1 623 . 19 1 1 A 53 53 TYR CB C 50 40.076 42.224 -2.148 1
1 628 . 19 1 1 A 53 53 TYR N N 50 127.507 124.757 2.750 1
1 629 . 19 1 1 A 54 54 GLY H H 51 8.893 8.902 -0.009 1
1 630 . 19 1 1 A 54 54 GLY HA2 H 51 4.687 3.595 1.092 1
1 631 . 19 1 1 A 54 54 GLY HA3 H 51 3.127 4.026 -0.899 1
1 632 . 19 1 1 A 54 54 GLY CA C 51 44.040 43.491 0.549 1
1 633 . 19 1 1 A 54 54 GLY N N 51 108.518 111.469 -2.951 1
1 634 . 19 1 1 A 55 55 PRO HA H 52 3.849 3.761 0.088 1
1 641 . 19 1 1 A 55 55 PRO C C 52 176.695 176.398 0.297 1
1 642 . 19 1 1 A 55 55 PRO CA C 52 63.187 61.701 1.486 1
1 643 . 19 1 1 A 55 55 PRO CB C 52 32.096 30.904 1.192 1
1 646 . 19 1 1 A 56 56 ALA H H 53 7.675 7.896 -0.221 1
1 647 . 19 1 1 A 56 56 ALA HA H 53 4.242 4.536 -0.294 1
1 651 . 19 1 1 A 56 56 ALA CA C 53 49.506 50.595 -1.089 1
1 652 . 19 1 1 A 56 56 ALA CB C 53 18.096 17.640 0.456 1
1 653 . 19 1 1 A 56 56 ALA N N 53 126.695 124.908 1.787 1
1 654 . 19 1 1 A 57 57 PRO HA H 54 4.186 4.519 -0.333 1
1 661 . 19 1 1 A 57 57 PRO C C 54 179.368 176.525 2.843 1
1 662 . 19 1 1 A 57 57 PRO CA C 54 63.116 63.040 0.076 1
1 663 . 19 1 1 A 57 57 PRO CB C 54 31.747 31.588 0.159 1
1 666 . 19 1 1 A 58 58 GLN H H 55 8.278 8.546 -0.268 1
1 667 . 19 1 1 A 58 58 GLN HA H 55 4.083 4.222 -0.139 1
1 674 . 19 1 1 A 58 58 GLN C C 55 175.368 175.969 -0.601 1
1 675 . 19 1 1 A 58 58 GLN CA C 55 55.635 56.134 -0.499 1
1 676 . 19 1 1 A 58 58 GLN CB C 55 29.927 29.617 0.310 1
1 678 . 19 1 1 A 58 58 GLN N N 55 121.313 122.551 -1.238 1
1 680 . 19 1 1 A 59 59 SER H H 56 8.182 8.554 -0.372 1
1 681 . 19 1 1 A 59 59 SER HA H 56 4.246 4.467 -0.221 1
1 684 . 19 1 1 A 59 59 SER C C 56 174.075 173.655 0.420 1
1 685 . 19 1 1 A 59 59 SER CA C 56 57.667 57.892 -0.225 1
1 686 . 19 1 1 A 59 59 SER CB C 56 63.751 61.389 2.362 1
1 687 . 19 1 1 A 59 59 SER N N 56 117.615 121.207 -3.592 1
1 688 . 19 1 1 A 60 60 PHE H H 57 8.100 8.043 0.057 1
1 689 . 19 1 1 A 60 60 PHE HA H 57 4.493 5.567 -1.074 1
1 696 . 19 1 1 A 60 60 PHE C C 57 175.439 173.809 1.630 1
1 697 . 19 1 1 A 60 60 PHE CA C 57 57.622 55.218 2.404 1
1 698 . 19 1 1 A 60 60 PHE CB C 57 39.519 42.033 -2.514 1
1 703 . 19 1 1 A 60 60 PHE N N 57 121.890 120.433 1.457 1
1 704 . 19 1 1 A 61 61 ALA H H 58 8.234 8.686 -0.452 1
1 705 . 19 1 1 A 61 61 ALA HA H 58 4.165 4.916 -0.751 1
1 709 . 19 1 1 A 61 61 ALA C C 58 179.286 177.292 1.994 1
1 710 . 19 1 1 A 61 61 ALA CA C 58 52.471 50.033 2.438 1
1 711 . 19 1 1 A 61 61 ALA CB C 58 19.444 20.744 -1.300 1
1 712 . 19 1 1 A 61 61 ALA N N 58 124.383 123.593 0.790 1
1 713 . 19 1 1 A 62 62 ASP H H 59 8.017 9.469 -1.452 1
1 714 . 19 1 1 A 62 62 ASP HA H 59 4.412 4.376 0.036 1
1 717 . 19 1 1 A 62 62 ASP C C 59 176.073 175.006 1.067 1
1 718 . 19 1 1 A 62 62 ASP CA C 59 54.360 55.203 -0.843 1
1 719 . 19 1 1 A 62 62 ASP CB C 59 41.213 39.682 1.531 1
1 720 . 19 1 1 A 62 62 ASP N N 59 118.579 124.984 -6.405 1
1 721 . 19 1 1 A 63 63 ASP H H 60 8.096 8.970 -0.874 1
1 722 . 19 1 1 A 63 63 ASP HA H 60 4.346 4.006 0.340 1
1 725 . 19 1 1 A 63 63 ASP C C 60 176.619 176.089 0.530 1
1 726 . 19 1 1 A 63 63 ASP CA C 60 54.714 54.847 -0.133 1
1 727 . 19 1 1 A 63 63 ASP CB C 60 40.801 38.349 2.452 1
1 728 . 19 1 1 A 63 63 ASP N N 60 119.530 116.568 2.962 1
1 729 . 19 1 1 A 64 64 GLU H H 61 8.109 7.781 0.328 1
1 730 . 19 1 1 A 64 64 GLU HA H 61 4.012 4.101 -0.089 1
1 735 . 19 1 1 A 64 64 GLU C C 61 176.652 178.644 -1.992 1
1 736 . 19 1 1 A 64 64 GLU CA C 61 57.301 59.045 -1.744 1
1 737 . 19 1 1 A 64 64 GLU CB C 61 30.107 29.696 0.411 1
1 739 . 19 1 1 A 64 64 GLU N N 61 120.050 119.600 0.450 1
1 740 . 19 1 1 A 65 65 ASP H H 62 8.062 8.417 -0.355 1
1 741 . 19 1 1 A 65 65 ASP HA H 62 4.369 4.411 -0.042 1
1 744 . 19 1 1 A 65 65 ASP C C 62 177.458 178.442 -0.984 1
1 745 . 19 1 1 A 65 65 ASP CA C 62 54.645 56.387 -1.742 1
1 746 . 19 1 1 A 65 65 ASP CB C 62 40.896 40.509 0.387 1
1 747 . 19 1 1 A 65 65 ASP N N 62 120.211 119.723 0.488 1
1 748 . 19 1 1 A 66 66 ILE H H 63 7.805 7.621 0.184 1
1 749 . 19 1 1 A 66 66 ILE HA H 63 3.708 3.625 0.083 1
1 759 . 19 1 1 A 66 66 ILE C C 63 176.802 177.614 -0.812 1
1 760 . 19 1 1 A 66 66 ILE CA C 63 62.754 64.713 -1.959 1
1 761 . 19 1 1 A 66 66 ILE CB C 63 38.230 38.087 0.143 1
1 765 . 19 1 1 A 66 66 ILE N N 63 121.259 120.986 0.273 1
1 766 . 19 1 1 A 67 67 MET H H 64 7.950 7.878 0.072 1
1 767 . 19 1 1 A 67 67 MET HA H 64 4.229 4.464 -0.235 1
1 775 . 19 1 1 A 67 67 MET C C 64 176.724 177.585 -0.861 1
1 776 . 19 1 1 A 67 67 MET CA C 64 55.944 57.296 -1.352 1
1 777 . 19 1 1 A 67 67 MET CB C 64 31.826 33.688 -1.862 1
1 780 . 19 1 1 A 67 67 MET N N 64 118.533 118.137 0.396 1
1 781 . 19 1 1 A 68 68 ARG H H 65 7.604 7.924 -0.320 1
1 782 . 19 1 1 A 68 68 ARG HA H 65 4.197 4.256 -0.059 1
1 789 . 19 1 1 A 68 68 ARG C C 65 175.530 175.893 -0.363 1
1 790 . 19 1 1 A 68 68 ARG CA C 65 56.028 57.105 -1.077 1
1 791 . 19 1 1 A 68 68 ARG CB C 65 30.760 30.363 0.397 1
1 794 . 19 1 1 A 68 68 ARG N N 65 118.706 117.214 1.492 1
1 795 . 19 1 1 A 69 69 ALA H H 66 7.634 7.591 0.043 1
1 796 . 19 1 1 A 69 69 ALA HA H 66 4.254 4.838 -0.584 1
1 800 . 19 1 1 A 69 69 ALA C C 66 176.846 175.408 1.438 1
1 801 . 19 1 1 A 69 69 ALA CA C 66 51.905 51.020 0.885 1
1 802 . 19 1 1 A 69 69 ALA CB C 66 20.023 22.948 -2.925 1
1 803 . 19 1 1 A 69 69 ALA N N 66 123.528 119.740 3.788 1
1 804 . 19 1 1 A 70 70 GLU H H 67 8.192 8.609 -0.417 1
1 805 . 19 1 1 A 70 70 GLU HA H 67 4.228 4.574 -0.346 1
1 810 . 19 1 1 A 70 70 GLU C C 67 176.333 176.208 0.125 1
1 811 . 19 1 1 A 70 70 GLU CA C 67 55.928 56.473 -0.545 1
1 812 . 19 1 1 A 70 70 GLU CB C 67 30.769 30.430 0.339 1
1 814 . 19 1 1 A 70 70 GLU N N 67 120.599 121.737 -1.138 1
1 815 . 19 1 1 A 71 71 ARG H H 68 8.674 8.385 0.289 1
1 816 . 19 1 1 A 71 71 ARG HA H 68 3.696 4.386 -0.690 1
1 823 . 19 1 1 A 71 71 ARG C C 68 175.422 175.175 0.247 1
1 824 . 19 1 1 A 71 71 ARG CA C 68 56.964 56.019 0.945 1
1 825 . 19 1 1 A 71 71 ARG CB C 68 30.886 30.434 0.452 1
1 828 . 19 1 1 A 71 71 ARG N N 68 123.533 124.351 -0.818 1
1 829 . 19 1 1 A 72 72 ARG H H 69 7.660 8.623 -0.963 1
1 830 . 19 1 1 A 72 72 ARG HA H 69 4.642 4.568 0.074 1
1 837 . 19 1 1 A 72 72 ARG C C 69 175.051 175.682 -0.631 1
1 838 . 19 1 1 A 72 72 ARG CA C 69 54.297 55.200 -0.903 1
1 839 . 19 1 1 A 72 72 ARG CB C 69 33.555 31.562 1.993 1
1 842 . 19 1 1 A 72 72 ARG N N 69 120.057 123.762 -3.705 1
1 843 . 19 1 1 A 73 73 PHE H H 70 8.714 8.645 0.069 1
1 844 . 19 1 1 A 73 73 PHE HA H 70 5.020 5.097 -0.077 1
1 852 . 19 1 1 A 73 73 PHE C C 70 173.159 174.535 -1.376 1
1 853 . 19 1 1 A 73 73 PHE CA C 70 57.359 56.881 0.478 1
1 854 . 19 1 1 A 73 73 PHE CB C 70 43.426 42.525 0.901 1
1 860 . 19 1 1 A 73 73 PHE N N 70 119.519 121.779 -2.260 1
1 861 . 19 1 1 A 74 74 GLU H H 71 9.404 9.149 0.255 1
1 862 . 19 1 1 A 74 74 GLU HA H 71 4.996 5.070 -0.074 1
1 867 . 19 1 1 A 74 74 GLU C C 71 175.559 175.015 0.544 1
1 868 . 19 1 1 A 74 74 GLU CA C 71 52.975 54.822 -1.847 1
1 869 . 19 1 1 A 74 74 GLU CB C 71 33.399 33.546 -0.147 1
1 871 . 19 1 1 A 74 74 GLU N N 71 117.679 118.469 -0.790 1
1 872 . 19 1 1 A 75 75 THR H H 72 9.801 9.120 0.681 1
1 873 . 19 1 1 A 75 75 THR HA H 72 4.108 4.565 -0.457 1
1 878 . 19 1 1 A 75 75 THR C C 72 175.065 173.950 1.115 1
1 879 . 19 1 1 A 75 75 THR CA C 72 64.296 63.011 1.285 1
1 880 . 19 1 1 A 75 75 THR CB C 72 67.635 68.096 -0.461 1
1 882 . 19 1 1 A 75 75 THR N N 72 122.320 119.482 2.838 1
1 883 . 19 1 1 A 76 76 ARG H H 73 9.150 8.915 0.235 1
1 884 . 19 1 1 A 76 76 ARG HA H 73 4.283 4.283 0.000 1
1 892 . 19 1 1 A 76 76 ARG C C 73 176.574 176.776 -0.202 1
1 893 . 19 1 1 A 76 76 ARG CA C 73 55.858 58.385 -2.527 1
1 894 . 19 1 1 A 76 76 ARG CB C 73 30.930 31.020 -0.090 1
1 897 . 19 1 1 A 76 76 ARG N N 73 127.709 128.160 -0.451 1
1 899 . 19 1 1 A 77 77 LEU H H 74 7.520 7.390 0.130 1
1 900 . 19 1 1 A 77 77 LEU HA H 74 4.480 4.946 -0.466 1
1 910 . 19 1 1 A 77 77 LEU C C 74 174.509 175.185 -0.676 1
1 911 . 19 1 1 A 77 77 LEU CA C 74 54.222 53.195 1.027 1
1 912 . 19 1 1 A 77 77 LEU CB C 74 47.315 45.973 1.342 1
1 916 . 19 1 1 A 77 77 LEU N N 74 117.021 118.179 -1.158 1
1 917 . 19 1 1 A 78 78 ALA H H 75 8.600 8.449 0.151 1
1 918 . 19 1 1 A 78 78 ALA HA H 75 4.999 4.670 0.329 1
1 922 . 19 1 1 A 78 78 ALA C C 75 176.343 177.085 -0.742 1
1 923 . 19 1 1 A 78 78 ALA CA C 75 50.324 51.616 -1.292 1
1 924 . 19 1 1 A 78 78 ALA CB C 75 21.074 22.428 -1.354 1
1 925 . 19 1 1 A 78 78 ALA N N 75 124.663 122.881 1.782 1
1 926 . 19 1 1 A 79 79 GLY H H 76 8.730 8.714 0.016 1
1 927 . 19 1 1 A 79 79 GLY HA2 H 76 3.706 3.835 -0.129 1
1 928 . 19 1 1 A 79 79 GLY HA3 H 76 3.306 3.835 -0.529 1
1 929 . 19 1 1 A 79 79 GLY C C 76 175.173 173.989 1.184 1
1 930 . 19 1 1 A 79 79 GLY CA C 76 47.520 46.240 1.280 1
1 931 . 19 1 1 A 79 79 GLY N N 76 114.411 110.967 3.444 1
1 932 . 19 1 1 A 80 80 VAL H H 77 8.380 7.752 0.628 1
1 933 . 19 1 1 A 80 80 VAL HA H 77 4.643 4.418 0.225 1
1 941 . 19 1 1 A 80 80 VAL C C 77 175.208 174.929 0.279 1
1 942 . 19 1 1 A 80 80 VAL CA C 77 59.289 60.288 -0.999 1
1 943 . 19 1 1 A 80 80 VAL CB C 77 34.226 33.660 0.566 1
1 946 . 19 1 1 A 80 80 VAL N N 77 112.611 117.796 -5.185 1
1 947 . 19 1 1 A 81 81 GLU H H 78 8.415 8.464 -0.049 1
1 948 . 19 1 1 A 81 81 GLU HA H 78 4.451 4.768 -0.317 1
1 953 . 19 1 1 A 81 81 GLU C C 78 178.955 177.524 1.431 1
1 954 . 19 1 1 A 81 81 GLU CA C 78 55.631 54.249 1.382 1
1 955 . 19 1 1 A 81 81 GLU CB C 78 30.535 31.539 -1.004 1
1 957 . 19 1 1 A 81 81 GLU N N 78 117.186 118.724 -1.538 1
1 958 . 19 1 1 A 82 82 GLY H H 79 8.834 8.993 -0.159 1
1 959 . 19 1 1 A 82 82 GLY HA2 H 79 3.810 3.848 -0.038 1
1 960 . 19 1 1 A 82 82 GLY HA3 H 79 3.518 3.850 -0.332 1
1 961 . 19 1 1 A 82 82 GLY C C 79 176.446 175.613 0.833 1
1 962 . 19 1 1 A 82 82 GLY CA C 79 47.629 47.188 0.441 1
1 963 . 19 1 1 A 82 82 GLY N N 79 109.312 107.754 1.558 1
1 964 . 19 1 1 A 83 83 GLU H H 80 8.747 8.228 0.519 1
1 965 . 19 1 1 A 83 83 GLU HA H 80 3.972 4.041 -0.069 1
1 970 . 19 1 1 A 83 83 GLU C C 80 179.046 178.986 0.060 1
1 971 . 19 1 1 A 83 83 GLU CA C 80 59.403 59.267 0.136 1
1 972 . 19 1 1 A 83 83 GLU CB C 80 29.005 29.190 -0.185 1
1 974 . 19 1 1 A 83 83 GLU N N 80 119.416 121.461 -2.045 1
1 975 . 19 1 1 A 84 84 GLU H H 81 7.588 7.911 -0.323 1
1 976 . 19 1 1 A 84 84 GLU HA H 81 4.003 4.036 -0.033 1
1 981 . 19 1 1 A 84 84 GLU C C 81 179.682 179.310 0.372 1
1 982 . 19 1 1 A 84 84 GLU CA C 81 59.213 59.175 0.038 1
1 983 . 19 1 1 A 84 84 GLU CB C 81 29.473 29.503 -0.030 1
1 985 . 19 1 1 A 84 84 GLU N N 81 120.110 118.731 1.379 1
1 986 . 19 1 1 A 85 85 ILE H H 82 6.936 7.866 -0.930 1
1 987 . 19 1 1 A 85 85 ILE HA H 82 3.356 3.628 -0.272 1
1 997 . 19 1 1 A 85 85 ILE C C 82 177.308 177.938 -0.630 1
1 998 . 19 1 1 A 85 85 ILE CA C 82 64.055 65.791 -1.736 1
1 999 . 19 1 1 A 85 85 ILE CB C 82 36.836 38.135 -1.299 1
1 1003 . 19 1 1 A 85 85 ILE N N 82 120.268 121.427 -1.159 1
1 1004 . 19 1 1 A 86 86 ALA H H 83 8.292 8.269 0.023 1
1 1005 . 19 1 1 A 86 86 ALA HA H 83 3.787 4.047 -0.260 1
1 1009 . 19 1 1 A 86 86 ALA C C 83 180.345 179.816 0.529 1
1 1010 . 19 1 1 A 86 86 ALA CA C 83 55.103 55.135 -0.032 1
1 1011 . 19 1 1 A 86 86 ALA CB C 83 17.928 18.228 -0.300 1
1 1012 . 19 1 1 A 86 86 ALA N N 83 121.052 122.158 -1.106 1
1 1013 . 19 1 1 A 87 87 ALA H H 84 7.516 7.862 -0.346 1
1 1014 . 19 1 1 A 87 87 ALA HA H 84 4.006 4.073 -0.067 1
1 1018 . 19 1 1 A 87 87 ALA C C 84 180.272 179.375 0.897 1
1 1019 . 19 1 1 A 87 87 ALA CA C 84 54.765 55.029 -0.264 1
1 1020 . 19 1 1 A 87 87 ALA CB C 84 17.949 18.471 -0.522 1
1 1021 . 19 1 1 A 87 87 ALA N N 84 119.052 120.379 -1.327 1
1 1022 . 19 1 1 A 88 88 LEU H H 85 7.285 7.455 -0.170 1
1 1023 . 19 1 1 A 88 88 LEU HA H 85 4.042 4.131 -0.089 1
1 1033 . 19 1 1 A 88 88 LEU C C 85 174.921 178.565 -3.644 1
1 1034 . 19 1 1 A 88 88 LEU CA C 85 58.290 57.143 1.147 1
1 1035 . 19 1 1 A 88 88 LEU CB C 85 41.610 42.249 -0.639 1
1 1039 . 19 1 1 A 88 88 LEU N N 85 121.211 120.068 1.143 1
1 1040 . 19 1 1 A 89 89 LEU H H 86 8.472 7.973 0.499 1
1 1041 . 19 1 1 A 89 89 LEU HA H 86 3.486 3.683 -0.197 1
1 1051 . 19 1 1 A 89 89 LEU C C 86 178.855 179.618 -0.763 1
1 1052 . 19 1 1 A 89 89 LEU CA C 86 57.476 57.703 -0.227 1
1 1053 . 19 1 1 A 89 89 LEU CB C 86 41.478 41.482 -0.004 1
1 1057 . 19 1 1 A 89 89 LEU N N 86 118.740 118.277 0.463 1
1 1058 . 19 1 1 A 90 90 GLU H H 87 7.926 8.553 -0.627 1
1 1059 . 19 1 1 A 90 90 GLU HA H 87 3.726 3.967 -0.241 1
1 1064 . 19 1 1 A 90 90 GLU C C 87 178.738 178.505 0.233 1
1 1065 . 19 1 1 A 90 90 GLU CA C 87 59.511 59.005 0.506 1
1 1066 . 19 1 1 A 90 90 GLU CB C 87 28.855 28.891 -0.036 1
1 1068 . 19 1 1 A 90 90 GLU N N 87 119.669 117.735 1.934 1
1 1069 . 19 1 1 A 91 91 ARG H H 88 7.069 7.660 -0.591 1
1 1070 . 19 1 1 A 91 91 ARG HA H 88 3.762 4.167 -0.405 1
1 1077 . 19 1 1 A 91 91 ARG C C 88 178.920 178.949 -0.029 1
1 1078 . 19 1 1 A 91 91 ARG CA C 88 59.544 59.428 0.116 1
1 1079 . 19 1 1 A 91 91 ARG CB C 88 29.723 30.153 -0.430 1
1 1082 . 19 1 1 A 91 91 ARG N N 88 119.088 119.254 -0.166 1
1 1083 . 19 1 1 A 92 92 GLU H H 89 8.170 8.018 0.152 1
1 1084 . 19 1 1 A 92 92 GLU HA H 89 4.021 4.224 -0.203 1
1 1089 . 19 1 1 A 92 92 GLU C C 89 180.250 179.579 0.671 1
1 1090 . 19 1 1 A 92 92 GLU CA C 89 58.661 58.928 -0.267 1
1 1091 . 19 1 1 A 92 92 GLU CB C 89 28.073 29.356 -1.283 1
1 1093 . 19 1 1 A 92 92 GLU N N 89 117.768 119.099 -1.331 1
1 1094 . 19 1 1 A 93 93 ARG H H 90 8.355 8.064 0.291 1
1 1095 . 19 1 1 A 93 93 ARG HA H 90 4.003 4.383 -0.380 1
1 1102 . 19 1 1 A 93 93 ARG C C 90 177.592 178.538 -0.946 1
1 1103 . 19 1 1 A 93 93 ARG CA C 90 57.744 58.749 -1.005 1
1 1104 . 19 1 1 A 93 93 ARG CB C 90 30.325 29.603 0.722 1
1 1107 . 19 1 1 A 93 93 ARG N N 90 119.179 118.957 0.222 1
1 1108 . 19 1 1 A 94 94 ARG H H 91 7.232 7.460 -0.228 1
1 1109 . 19 1 1 A 94 94 ARG HA H 91 3.788 3.846 -0.058 1
1 1116 . 19 1 1 A 94 94 ARG C C 91 177.986 178.596 -0.610 1
1 1117 . 19 1 1 A 94 94 ARG CA C 91 58.462 58.908 -0.446 1
1 1118 . 19 1 1 A 94 94 ARG CB C 91 29.565 29.545 0.020 1
1 1121 . 19 1 1 A 94 94 ARG N N 91 118.441 120.008 -1.567 1
1 1122 . 19 1 1 A 95 95 PHE H H 92 7.048 7.787 -0.739 1
1 1123 . 19 1 1 A 95 95 PHE HA H 92 4.474 4.419 0.055 1
1 1128 . 19 1 1 A 95 95 PHE C C 92 175.728 176.015 -0.287 1
1 1129 . 19 1 1 A 95 95 PHE CA C 92 58.210 59.275 -1.065 1
1 1130 . 19 1 1 A 95 95 PHE CB C 92 39.724 40.433 -0.709 1
1 1133 . 19 1 1 A 95 95 PHE N N 92 115.951 116.225 -0.274 1
1 1134 . 19 1 1 A 96 96 ASP H H 93 7.793 8.315 -0.522 1
1 1135 . 19 1 1 A 96 96 ASP HA H 93 4.703 4.976 -0.273 1
1 1138 . 19 1 1 A 96 96 ASP C C 93 179.474 175.988 3.486 1
1 1139 . 19 1 1 A 96 96 ASP CA C 93 53.103 52.973 0.130 1
1 1140 . 19 1 1 A 96 96 ASP CB C 93 41.634 41.761 -0.127 1
1 1141 . 19 1 1 A 96 96 ASP N N 93 119.328 118.277 1.051 1
1 1142 . 19 1 1 A 97 97 SER H H 94 8.490 9.013 -0.523 1
1 1143 . 19 1 1 A 97 97 SER HA H 94 4.204 4.475 -0.271 1
1 1146 . 19 1 1 A 97 97 SER C C 94 175.549 174.987 0.562 1
1 1147 . 19 1 1 A 97 97 SER CA C 94 60.047 59.495 0.552 1
1 1148 . 19 1 1 A 97 97 SER CB C 94 63.408 62.969 0.439 1
1 1149 . 19 1 1 A 97 97 SER N N 94 118.740 121.353 -2.613 1
1 1150 . 19 1 1 A 98 98 ASP H H 95 8.229 8.129 0.100 1
1 1151 . 19 1 1 A 98 98 ASP HA H 95 4.684 4.747 -0.063 1
1 1154 . 19 1 1 A 98 98 ASP C C 95 175.547 175.882 -0.335 1
1 1155 . 19 1 1 A 98 98 ASP CA C 95 54.380 54.618 -0.238 1
1 1156 . 19 1 1 A 98 98 ASP CB C 95 42.267 41.263 1.004 1
1 1157 . 19 1 1 A 98 98 ASP N N 95 121.306 119.978 1.328 1
1 1158 . 19 1 1 A 99 99 LEU H H 96 6.613 7.454 -0.841 1
1 1159 . 19 1 1 A 99 99 LEU HA H 96 4.801 5.173 -0.372 1
1 1169 . 19 1 1 A 99 99 LEU C C 96 176.224 176.199 0.025 1
1 1170 . 19 1 1 A 99 99 LEU CA C 96 55.691 54.022 1.669 1
1 1171 . 19 1 1 A 99 99 LEU CB C 96 42.272 43.566 -1.294 1
1 1175 . 19 1 1 A 99 99 LEU N N 96 117.774 118.124 -0.350 1
1 1176 . 19 1 1 A 100 100 TRP H H 97 9.750 9.320 0.430 1
1 1177 . 19 1 1 A 100 100 TRP HA H 97 4.757 5.410 -0.653 1
1 1186 . 19 1 1 A 100 100 TRP C C 97 176.737 175.453 1.284 1
1 1187 . 19 1 1 A 100 100 TRP CA C 97 55.634 55.240 0.394 1
1 1188 . 19 1 1 A 100 100 TRP CB C 97 31.794 32.396 -0.602 1
1 1194 . 19 1 1 A 100 100 TRP N N 97 120.649 120.666 -0.017 1
1 1196 . 19 1 1 A 101 101 VAL H H 98 9.096 8.819 0.277 1
1 1197 . 19 1 1 A 101 101 VAL HA H 98 5.018 4.995 0.023 1
1 1205 . 19 1 1 A 101 101 VAL C C 98 175.816 175.390 0.426 1
1 1206 . 19 1 1 A 101 101 VAL CA C 98 61.998 62.379 -0.381 1
1 1207 . 19 1 1 A 101 101 VAL CB C 98 34.180 32.519 1.661 1
1 1210 . 19 1 1 A 101 101 VAL N N 98 117.960 123.994 -6.034 1
1 1211 . 19 1 1 A 102 102 VAL H H 99 9.113 9.196 -0.083 1
1 1212 . 19 1 1 A 102 102 VAL HA H 99 4.546 4.870 -0.324 1
1 1220 . 19 1 1 A 102 102 VAL C C 99 173.388 175.191 -1.803 1
1 1221 . 19 1 1 A 102 102 VAL CA C 99 60.987 61.230 -0.243 1
1 1222 . 19 1 1 A 102 102 VAL CB C 99 34.654 34.811 -0.157 1
1 1225 . 19 1 1 A 102 102 VAL N N 99 129.775 128.773 1.002 1
1 1226 . 19 1 1 A 103 103 GLU H H 100 9.226 8.761 0.465 1
1 1227 . 19 1 1 A 103 103 GLU HA H 100 5.376 4.872 0.504 1
1 1232 . 19 1 1 A 103 103 GLU C C 100 175.058 175.900 -0.842 1
1 1233 . 19 1 1 A 103 103 GLU CA C 100 54.158 55.757 -1.599 1
1 1234 . 19 1 1 A 103 103 GLU CB C 100 31.835 31.080 0.755 1
1 1236 . 19 1 1 A 103 103 GLU N N 100 128.249 126.540 1.709 1
1 1237 . 19 1 1 A 104 104 ILE H H 101 9.141 8.999 0.142 1
1 1238 . 19 1 1 A 104 104 ILE HA H 101 5.021 5.172 -0.151 1
1 1248 . 19 1 1 A 104 104 ILE C C 101 173.727 174.028 -0.301 1
1 1249 . 19 1 1 A 104 104 ILE CA C 101 59.226 58.880 0.346 1
1 1250 . 19 1 1 A 104 104 ILE CB C 101 42.192 41.264 0.928 1
1 1254 . 19 1 1 A 104 104 ILE N N 101 118.638 119.649 -1.011 1
1 1255 . 19 1 1 A 105 105 GLU H H 102 9.018 9.146 -0.128 1
1 1256 . 19 1 1 A 105 105 GLU HA H 102 4.800 5.021 -0.221 1
1 1261 . 19 1 1 A 105 105 GLU C C 102 174.832 175.288 -0.456 1
1 1262 . 19 1 1 A 105 105 GLU CA C 102 55.362 55.175 0.187 1
1 1263 . 19 1 1 A 105 105 GLU CB C 102 31.160 31.238 -0.078 1
1 1265 . 19 1 1 A 105 105 GLU N N 102 125.842 124.981 0.861 1
1 1266 . 19 1 1 A 106 106 THR H H 103 7.678 8.348 -0.670 1
1 1267 . 19 1 1 A 106 106 THR HA H 103 4.424 4.867 -0.443 1
1 1272 . 19 1 1 A 106 106 THR C C 103 172.175 172.565 -0.390 1
1 1273 . 19 1 1 A 106 106 THR CA C 103 60.772 60.421 0.351 1
1 1274 . 19 1 1 A 106 106 THR CB C 103 67.599 69.654 -2.055 1
1 1276 . 19 1 1 A 106 106 THR N N 103 118.569 120.167 -1.598 1
1 1277 . 19 1 1 A 107 107 ASP H H 104 8.400 8.978 -0.578 1
1 1278 . 19 1 1 A 107 107 ASP HA H 104 4.635 4.581 0.054 1
1 1281 . 19 1 1 A 107 107 ASP C C 104 176.214 176.372 -0.158 1
1 1282 . 19 1 1 A 107 107 ASP CA C 104 55.771 55.342 0.429 1
1 1283 . 19 1 1 A 107 107 ASP CB C 104 41.463 41.731 -0.268 1
1 1284 . 19 1 1 A 107 107 ASP N N 104 125.388 125.125 0.263 1
1 1285 . 19 1 1 A 108 108 GLU H H 105 7.995 7.576 0.419 1
1 1286 . 19 1 1 A 108 108 GLU HA H 105 4.524 4.597 -0.073 1
1 1291 . 19 1 1 A 108 108 GLU C C 105 175.340 175.786 -0.446 1
1 1292 . 19 1 1 A 108 108 GLU CA C 105 54.564 55.374 -0.810 1
1 1293 . 19 1 1 A 108 108 GLU CB C 105 30.953 30.649 0.304 1
1 1295 . 19 1 1 A 108 108 GLU N N 105 120.222 116.366 3.856 1
1 1296 . 19 1 1 A 109 109 ILE H H 106 8.389 8.781 -0.392 1
1 1297 . 19 1 1 A 109 109 ILE HA H 106 3.853 3.980 -0.127 1
1 1307 . 19 1 1 A 109 109 ILE C C 106 176.324 178.231 -1.907 1
1 1308 . 19 1 1 A 109 109 ILE CA C 106 60.148 63.925 -3.777 1
1 1309 . 19 1 1 A 109 109 ILE CB C 106 38.950 38.517 0.433 1
1 1313 . 19 1 1 A 109 109 ILE N N 106 124.088 125.042 -0.954 1
1 1314 . 19 1 1 A 110 110 GLY H H 107 8.534 8.181 0.353 1
1 1315 . 19 1 1 A 110 110 GLY HA2 H 107 3.744 3.902 -0.158 1
1 1316 . 19 1 1 A 110 110 GLY HA3 H 107 3.705 3.929 -0.224 1
1 1317 . 19 1 1 A 110 110 GLY C C 107 175.021 174.628 0.393 1
1 1318 . 19 1 1 A 110 110 GLY CA C 107 46.530 45.887 0.643 1
1 1319 . 19 1 1 A 110 110 GLY N N 107 109.224 108.929 0.295 1
1 1320 . 19 1 1 A 111 111 THR H H 108 7.892 8.035 -0.143 1
1 1321 . 19 1 1 A 111 111 THR HA H 108 4.255 4.494 -0.239 1
1 1326 . 19 1 1 A 111 111 THR C C 108 175.417 175.236 0.181 1
1 1327 . 19 1 1 A 111 111 THR CA C 108 61.287 62.603 -1.316 1
1 1328 . 19 1 1 A 111 111 THR CB C 108 68.657 70.679 -2.022 1
1 1330 . 19 1 1 A 111 111 THR N N 108 111.278 114.554 -3.276 1
1 1331 . 19 1 1 A 112 112 LEU H H 109 7.950 7.596 0.354 1
1 1332 . 19 1 1 A 112 112 LEU HA H 109 3.887 4.567 -0.680 1
1 1342 . 19 1 1 A 112 112 LEU C C 109 175.715 176.101 -0.386 1
1 1343 . 19 1 1 A 112 112 LEU CA C 109 56.661 54.000 2.661 1
1 1344 . 19 1 1 A 112 112 LEU CB C 109 43.310 43.692 -0.382 1
1 1348 . 19 1 1 A 112 112 LEU N N 109 122.017 115.186 6.831 1
1 1349 . 19 1 1 A 113 113 LEU H H 110 7.003 7.177 -0.174 1
1 1350 . 19 1 1 A 113 113 LEU HA H 110 4.327 4.606 -0.279 1
1 1360 . 19 1 1 A 113 113 LEU C C 110 175.563 174.023 1.540 1
1 1361 . 19 1 1 A 113 113 LEU CA C 110 52.377 54.356 -1.979 1
1 1362 . 19 1 1 A 113 113 LEU CB C 110 44.890 45.099 -0.209 1
1 1366 . 19 1 1 A 113 113 LEU N N 110 113.184 120.046 -6.862 1
1 1367 . 19 1 1 A 114 114 THR H H 111 9.101 8.786 0.315 1
1 1368 . 19 1 1 A 114 114 THR HA H 111 4.079 4.931 -0.852 1
1 1373 . 19 1 1 A 114 114 THR C C 111 173.117 173.933 -0.816 1
1 1374 . 19 1 1 A 114 114 THR CA C 111 62.838 61.888 0.950 1
1 1375 . 19 1 1 A 114 114 THR CB C 111 68.245 70.034 -1.789 1
1 1377 . 19 1 1 A 114 114 THR N N 111 119.602 123.113 -3.511 1
1 1378 . 19 1 1 A 115 115 LEU H H 112 8.461 8.730 -0.269 1
1 1379 . 19 1 1 A 115 115 LEU HA H 112 4.985 5.293 -0.308 1
1 1389 . 19 1 1 A 115 115 LEU C C 112 178.488 177.475 1.013 1
1 1390 . 19 1 1 A 115 115 LEU CA C 112 52.953 53.555 -0.602 1
1 1391 . 19 1 1 A 115 115 LEU CB C 112 43.316 45.262 -1.946 1
1 1395 . 19 1 1 A 115 115 LEU N N 112 129.372 126.006 3.366 1
1 1396 . 19 1 1 A 116 116 VAL H H 113 8.550 9.025 -0.475 1
1 1397 . 19 1 1 A 116 116 VAL HA H 113 4.141 3.877 0.264 1
1 1405 . 19 1 1 A 116 116 VAL C C 113 175.638 177.408 -1.770 1
1 1406 . 19 1 1 A 116 116 VAL CA C 113 61.559 64.891 -3.332 1
1 1407 . 19 1 1 A 116 116 VAL CB C 113 32.128 31.615 0.513 1
1 1410 . 19 1 1 A 116 116 VAL N N 113 117.300 121.891 -4.591 1
1 1411 . 19 1 1 A 117 117 ASP H H 114 8.095 7.867 0.228 1
1 1412 . 19 1 1 A 117 117 ASP HA H 114 4.561 4.452 0.109 1
1 1415 . 19 1 1 A 117 117 ASP C C 114 175.610 176.552 -0.942 1
1 1416 . 19 1 1 A 117 117 ASP CA C 114 53.586 57.031 -3.445 1
1 1417 . 19 1 1 A 117 117 ASP CB C 114 41.131 41.299 -0.168 1
1 1418 . 19 1 1 A 117 117 ASP N N 114 121.410 120.876 0.534 1
1 1419 . 19 1 1 A 118 118 GLN H H 115 8.048 7.822 0.226 1
1 1420 . 19 1 1 A 118 118 GLN HA H 115 4.539 4.490 0.049 1
1 1427 . 19 1 1 A 118 118 GLN CA C 115 53.464 54.427 -0.963 1
1 1428 . 19 1 1 A 118 118 GLN CB C 115 29.143 27.955 1.188 1
1 1430 . 19 1 1 A 118 118 GLN N N 115 120.387 118.222 2.165 1
1 1432 . 19 1 1 A 119 119 PRO HA H 116 4.314 4.501 -0.187 1
1 1439 . 19 1 1 A 119 119 PRO C C 116 176.819 177.159 -0.340 1
1 1440 . 19 1 1 A 119 119 PRO CA C 116 63.073 62.887 0.186 1
1 1441 . 19 1 1 A 119 119 PRO CB C 116 32.117 31.708 0.409 1
1 1444 . 19 1 1 A 120 120 GLN H H 117 8.404 8.496 -0.092 1
1 1445 . 19 1 1 A 120 120 GLN HA H 117 4.172 4.609 -0.437 1
1 1452 . 19 1 1 A 120 120 GLN C C 117 174.745 177.045 -2.300 1
1 1453 . 19 1 1 A 120 120 GLN CA C 117 55.531 55.582 -0.051 1
1 1454 . 19 1 1 A 120 120 GLN CB C 117 29.529 29.950 -0.421 1
1 1456 . 19 1 1 A 120 120 GLN N N 117 121.403 120.192 1.211 1
1 14 . 20 1 1 A 5 5 ARG H H 2 8.281 8.683 -0.402 1
1 15 . 20 1 1 A 5 5 ARG HA H 2 4.126 3.810 0.316 1
1 22 . 20 1 1 A 5 5 ARG C C 2 176.387 174.806 1.581 1
1 23 . 20 1 1 A 5 5 ARG CA C 2 56.556 57.168 -0.612 1
1 24 . 20 1 1 A 5 5 ARG CB C 2 30.698 27.240 3.458 1
1 27 . 20 1 1 A 5 5 ARG N N 2 123.269 113.844 9.425 1
1 28 . 20 1 1 A 6 6 LEU H H 3 8.527 7.585 0.942 1
1 29 . 20 1 1 A 6 6 LEU HA H 3 4.414 4.601 -0.187 1
1 39 . 20 1 1 A 6 6 LEU C C 3 178.040 176.876 1.164 1
1 40 . 20 1 1 A 6 6 LEU CA C 3 54.270 53.220 1.050 1
1 41 . 20 1 1 A 6 6 LEU CB C 3 43.612 43.998 -0.386 1
1 45 . 20 1 1 A 6 6 LEU N N 3 125.588 116.354 9.234 1
1 46 . 20 1 1 A 7 7 LYS H H 4 8.646 8.627 0.019 1
1 47 . 20 1 1 A 7 7 LYS HA H 4 4.524 4.314 0.210 1
1 56 . 20 1 1 A 7 7 LYS C C 4 178.029 178.293 -0.264 1
1 57 . 20 1 1 A 7 7 LYS CA C 4 57.051 56.184 0.867 1
1 58 . 20 1 1 A 7 7 LYS CB C 4 32.877 33.388 -0.511 1
1 62 . 20 1 1 A 7 7 LYS N N 4 123.765 120.512 3.253 1
1 63 . 20 1 1 A 8 8 SER H H 5 8.316 8.830 -0.514 1
1 64 . 20 1 1 A 8 8 SER HA H 5 3.720 3.844 -0.124 1
1 67 . 20 1 1 A 8 8 SER C C 5 174.858 176.123 -1.265 1
1 68 . 20 1 1 A 8 8 SER CA C 5 63.553 61.963 1.590 1
1 69 . 20 1 1 A 8 8 SER CB C 5 62.382 62.581 -0.199 1
1 70 . 20 1 1 A 8 8 SER N N 5 122.163 116.559 5.604 1
1 71 . 20 1 1 A 9 9 GLU H H 6 8.913 8.149 0.764 1
1 72 . 20 1 1 A 9 9 GLU HA H 6 3.401 3.318 0.083 1
1 77 . 20 1 1 A 9 9 GLU C C 6 177.494 178.237 -0.743 1
1 78 . 20 1 1 A 9 9 GLU CA C 6 59.824 58.778 1.046 1
1 79 . 20 1 1 A 9 9 GLU CB C 6 29.780 28.954 0.826 1
1 81 . 20 1 1 A 9 9 GLU N N 6 118.372 121.665 -3.293 1
1 82 . 20 1 1 A 10 10 MET H H 7 6.642 8.104 -1.462 1
1 83 . 20 1 1 A 10 10 MET HA H 7 4.200 4.134 0.066 1
1 91 . 20 1 1 A 10 10 MET C C 7 178.173 178.278 -0.105 1
1 92 . 20 1 1 A 10 10 MET CA C 7 57.360 58.404 -1.044 1
1 93 . 20 1 1 A 10 10 MET CB C 7 32.761 32.192 0.569 1
1 96 . 20 1 1 A 10 10 MET N N 7 117.318 118.981 -1.663 1
1 97 . 20 1 1 A 11 11 PHE H H 8 8.432 7.760 0.672 1
1 98 . 20 1 1 A 11 11 PHE HA H 8 3.718 4.147 -0.429 1
1 105 . 20 1 1 A 11 11 PHE C C 8 177.603 177.518 0.085 1
1 106 . 20 1 1 A 11 11 PHE CA C 8 61.845 61.287 0.558 1
1 107 . 20 1 1 A 11 11 PHE CB C 8 38.595 38.927 -0.332 1
1 112 . 20 1 1 A 11 11 PHE N N 8 122.099 120.822 1.277 1
1 113 . 20 1 1 A 12 12 VAL H H 9 8.133 7.992 0.141 1
1 114 . 20 1 1 A 12 12 VAL HA H 9 3.021 3.929 -0.908 1
1 122 . 20 1 1 A 12 12 VAL C C 9 176.668 178.063 -1.395 1
1 123 . 20 1 1 A 12 12 VAL CA C 9 67.353 65.475 1.878 1
1 124 . 20 1 1 A 12 12 VAL CB C 9 31.238 31.729 -0.491 1
1 127 . 20 1 1 A 12 12 VAL N N 9 119.317 119.227 0.090 1
1 128 . 20 1 1 A 13 13 SER H H 10 7.750 8.030 -0.280 1
1 129 . 20 1 1 A 13 13 SER HA H 10 3.905 4.057 -0.152 1
1 132 . 20 1 1 A 13 13 SER C C 10 176.947 176.559 0.388 1
1 133 . 20 1 1 A 13 13 SER CA C 10 61.775 62.081 -0.306 1
1 134 . 20 1 1 A 13 13 SER CB C 10 62.483 62.800 -0.317 1
1 135 . 20 1 1 A 13 13 SER N N 10 114.115 117.308 -3.193 1
1 136 . 20 1 1 A 14 14 ALA H H 11 7.776 7.486 0.290 1
1 137 . 20 1 1 A 14 14 ALA HA H 11 3.860 4.104 -0.244 1
1 141 . 20 1 1 A 14 14 ALA C C 11 179.154 179.656 -0.502 1
1 142 . 20 1 1 A 14 14 ALA CA C 11 54.811 54.818 -0.007 1
1 143 . 20 1 1 A 14 14 ALA CB C 11 17.641 18.166 -0.525 1
1 144 . 20 1 1 A 14 14 ALA N N 11 123.170 123.590 -0.420 1
1 145 . 20 1 1 A 15 15 LEU H H 12 7.732 8.052 -0.320 1
1 146 . 20 1 1 A 15 15 LEU HA H 12 3.636 3.888 -0.252 1
1 156 . 20 1 1 A 15 15 LEU C C 12 177.617 178.497 -0.880 1
1 157 . 20 1 1 A 15 15 LEU CA C 12 57.790 57.571 0.219 1
1 158 . 20 1 1 A 15 15 LEU CB C 12 41.352 41.499 -0.147 1
1 162 . 20 1 1 A 15 15 LEU N N 12 121.171 119.639 1.532 1
1 163 . 20 1 1 A 16 16 ILE H H 13 8.037 7.905 0.132 1
1 164 . 20 1 1 A 16 16 ILE HA H 13 3.061 3.515 -0.454 1
1 174 . 20 1 1 A 16 16 ILE C C 13 177.708 178.624 -0.916 1
1 175 . 20 1 1 A 16 16 ILE CA C 13 65.872 64.844 1.028 1
1 176 . 20 1 1 A 16 16 ILE CB C 13 37.704 37.359 0.345 1
1 180 . 20 1 1 A 16 16 ILE N N 13 117.849 120.027 -2.178 1
1 181 . 20 1 1 A 17 17 ARG H H 14 7.537 7.618 -0.081 1
1 182 . 20 1 1 A 17 17 ARG HA H 14 3.980 4.219 -0.239 1
1 189 . 20 1 1 A 17 17 ARG C C 14 179.876 179.038 0.838 1
1 190 . 20 1 1 A 17 17 ARG CA C 14 59.920 59.154 0.766 1
1 191 . 20 1 1 A 17 17 ARG CB C 14 29.995 29.563 0.432 1
1 194 . 20 1 1 A 17 17 ARG N N 14 117.366 120.974 -3.608 1
1 195 . 20 1 1 A 18 18 ARG H H 15 8.068 7.837 0.231 1
1 196 . 20 1 1 A 18 18 ARG HA H 15 3.868 4.002 -0.134 1
1 203 . 20 1 1 A 18 18 ARG C C 15 176.630 178.853 -2.223 1
1 204 . 20 1 1 A 18 18 ARG CA C 15 59.606 59.404 0.202 1
1 205 . 20 1 1 A 18 18 ARG CB C 15 30.327 30.417 -0.090 1
1 208 . 20 1 1 A 18 18 ARG N N 15 119.713 119.480 0.233 1
1 209 . 20 1 1 A 19 19 VAL H H 16 8.259 7.438 0.821 1
1 210 . 20 1 1 A 19 19 VAL HA H 16 3.296 3.686 -0.390 1
1 218 . 20 1 1 A 19 19 VAL C C 16 177.306 178.044 -0.738 1
1 219 . 20 1 1 A 19 19 VAL CA C 16 66.667 65.255 1.412 1
1 220 . 20 1 1 A 19 19 VAL CB C 16 30.421 31.280 -0.859 1
1 223 . 20 1 1 A 19 19 VAL N N 16 121.385 116.516 4.869 1
1 224 . 20 1 1 A 20 20 PHE H H 17 8.014 7.633 0.381 1
1 225 . 20 1 1 A 20 20 PHE HA H 17 4.222 4.119 0.103 1
1 233 . 20 1 1 A 20 20 PHE C C 17 180.973 177.883 3.090 1
1 234 . 20 1 1 A 20 20 PHE CA C 17 61.988 61.698 0.290 1
1 235 . 20 1 1 A 20 20 PHE CB C 17 38.553 37.760 0.793 1
1 241 . 20 1 1 A 20 20 PHE N N 17 118.811 120.466 -1.655 1
1 242 . 20 1 1 A 21 21 ALA H H 18 8.192 8.025 0.167 1
1 243 . 20 1 1 A 21 21 ALA HA H 18 4.096 4.137 -0.041 1
1 247 . 20 1 1 A 21 21 ALA C C 18 178.425 179.579 -1.154 1
1 248 . 20 1 1 A 21 21 ALA CA C 18 54.716 54.649 0.067 1
1 249 . 20 1 1 A 21 21 ALA CB C 18 17.752 17.965 -0.213 1
1 250 . 20 1 1 A 21 21 ALA N N 18 122.995 121.827 1.168 1
1 251 . 20 1 1 A 22 22 ALA H H 19 7.256 7.270 -0.014 1
1 252 . 20 1 1 A 22 22 ALA HA H 19 4.356 4.361 -0.005 1
1 256 . 20 1 1 A 22 22 ALA C C 19 177.665 177.457 0.208 1
1 257 . 20 1 1 A 22 22 ALA CA C 19 51.629 52.199 -0.570 1
1 258 . 20 1 1 A 22 22 ALA CB C 19 18.554 19.545 -0.991 1
1 259 . 20 1 1 A 22 22 ALA N N 19 118.872 117.724 1.148 1
1 260 . 20 1 1 A 23 23 GLY H H 20 7.774 7.988 -0.214 1
1 261 . 20 1 1 A 23 23 GLY HA2 H 20 4.207 3.971 0.236 1
1 262 . 20 1 1 A 23 23 GLY HA3 H 20 3.762 4.008 -0.246 1
1 263 . 20 1 1 A 23 23 GLY C C 20 174.779 174.806 -0.027 1
1 264 . 20 1 1 A 23 23 GLY CA C 20 45.347 45.128 0.219 1
1 265 . 20 1 1 A 23 23 GLY N N 20 106.718 106.821 -0.103 1
1 266 . 20 1 1 A 24 24 GLY H H 21 7.795 7.923 -0.128 1
1 267 . 20 1 1 A 24 24 GLY HA2 H 21 4.538 3.957 0.581 1
1 268 . 20 1 1 A 24 24 GLY HA3 H 21 3.306 4.018 -0.712 1
1 269 . 20 1 1 A 24 24 GLY C C 21 171.187 172.178 -0.991 1
1 270 . 20 1 1 A 24 24 GLY CA C 21 43.665 44.304 -0.639 1
1 271 . 20 1 1 A 24 24 GLY N N 21 108.369 108.232 0.137 1
1 272 . 20 1 1 A 25 25 PHE H H 22 7.340 8.581 -1.241 1
1 273 . 20 1 1 A 25 25 PHE HA H 22 3.784 4.556 -0.772 1
1 280 . 20 1 1 A 25 25 PHE C C 22 172.423 173.827 -1.404 1
1 281 . 20 1 1 A 25 25 PHE CA C 22 56.434 56.008 0.426 1
1 282 . 20 1 1 A 25 25 PHE CB C 22 42.819 42.834 -0.015 1
1 287 . 20 1 1 A 25 25 PHE N N 22 117.754 120.783 -3.029 1
1 288 . 20 1 1 A 26 26 ALA H H 23 5.579 7.507 -1.928 1
1 289 . 20 1 1 A 26 26 ALA HA H 23 4.943 5.243 -0.300 1
1 293 . 20 1 1 A 26 26 ALA C C 23 173.842 175.275 -1.433 1
1 294 . 20 1 1 A 26 26 ALA CA C 23 50.257 51.010 -0.753 1
1 295 . 20 1 1 A 26 26 ALA CB C 23 25.150 23.474 1.676 1
1 296 . 20 1 1 A 26 26 ALA N N 23 126.477 127.409 -0.932 1
1 297 . 20 1 1 A 27 27 ALA H H 24 8.723 8.198 0.525 1
1 298 . 20 1 1 A 27 27 ALA HA H 24 4.330 4.815 -0.485 1
1 302 . 20 1 1 A 27 27 ALA C C 24 175.543 176.237 -0.694 1
1 303 . 20 1 1 A 27 27 ALA CA C 24 51.545 51.819 -0.274 1
1 304 . 20 1 1 A 27 27 ALA CB C 24 22.974 22.976 -0.002 1
1 305 . 20 1 1 A 27 27 ALA N N 24 118.178 119.843 -1.665 1
1 306 . 20 1 1 A 28 28 VAL H H 25 8.841 8.993 -0.152 1
1 307 . 20 1 1 A 28 28 VAL HA H 25 3.972 4.164 -0.192 1
1 315 . 20 1 1 A 28 28 VAL C C 25 175.547 175.581 -0.034 1
1 316 . 20 1 1 A 28 28 VAL CA C 25 64.153 63.193 0.960 1
1 317 . 20 1 1 A 28 28 VAL CB C 25 31.951 31.415 0.536 1
1 320 . 20 1 1 A 28 28 VAL N N 25 120.857 123.180 -2.323 1
1 321 . 20 1 1 A 29 29 GLU H H 26 8.595 9.084 -0.489 1
1 322 . 20 1 1 A 29 29 GLU HA H 26 4.275 4.430 -0.155 1
1 327 . 20 1 1 A 29 29 GLU C C 26 176.177 176.459 -0.282 1
1 328 . 20 1 1 A 29 29 GLU CA C 26 57.686 58.614 -0.928 1
1 329 . 20 1 1 A 29 29 GLU CB C 26 30.521 30.807 -0.286 1
1 331 . 20 1 1 A 29 29 GLU N N 26 132.091 127.434 4.657 1
1 332 . 20 1 1 A 30 30 LYS H H 27 8.163 7.674 0.489 1
1 333 . 20 1 1 A 30 30 LYS HA H 27 4.352 4.861 -0.509 1
1 342 . 20 1 1 A 30 30 LYS C C 27 174.232 174.494 -0.262 1
1 343 . 20 1 1 A 30 30 LYS CA C 27 55.370 54.648 0.722 1
1 344 . 20 1 1 A 30 30 LYS CB C 27 36.138 35.587 0.551 1
1 348 . 20 1 1 A 30 30 LYS N N 27 119.899 119.267 0.632 1
1 349 . 20 1 1 A 31 31 LYS H H 28 8.603 8.704 -0.101 1
1 350 . 20 1 1 A 31 31 LYS HA H 28 3.268 4.169 -0.901 1
1 359 . 20 1 1 A 31 31 LYS C C 28 175.170 174.798 0.372 1
1 360 . 20 1 1 A 31 31 LYS CA C 28 56.089 54.086 2.003 1
1 361 . 20 1 1 A 31 31 LYS CB C 28 32.386 35.276 -2.890 1
1 365 . 20 1 1 A 31 31 LYS N N 28 129.067 126.733 2.334 1
1 366 . 20 1 1 A 32 32 GLY H H 29 3.335 6.707 -3.372 1
1 367 . 20 1 1 A 32 32 GLY HA2 H 29 3.652 3.957 -0.305 1
1 368 . 20 1 1 A 32 32 GLY HA3 H 29 2.313 3.986 -1.673 1
1 369 . 20 1 1 A 32 32 GLY C C 29 172.863 173.274 -0.411 1
1 370 . 20 1 1 A 32 32 GLY CA C 29 43.344 44.280 -0.936 1
1 371 . 20 1 1 A 32 32 GLY N N 29 113.639 112.196 1.443 1
1 372 . 20 1 1 A 33 33 ALA H H 30 8.202 8.244 -0.042 1
1 373 . 20 1 1 A 33 33 ALA HA H 30 4.173 4.456 -0.283 1
1 377 . 20 1 1 A 33 33 ALA C C 30 181.026 178.853 2.173 1
1 378 . 20 1 1 A 33 33 ALA CA C 30 52.674 52.576 0.098 1
1 379 . 20 1 1 A 33 33 ALA CB C 30 19.020 18.925 0.095 1
1 380 . 20 1 1 A 33 33 ALA N N 30 121.182 125.647 -4.465 1
1 381 . 20 1 1 A 34 34 GLU H H 31 9.313 9.081 0.232 1
1 382 . 20 1 1 A 34 34 GLU HA H 31 4.130 4.340 -0.210 1
1 387 . 20 1 1 A 34 34 GLU C C 31 177.137 178.520 -1.383 1
1 388 . 20 1 1 A 34 34 GLU CA C 31 61.214 59.543 1.671 1
1 389 . 20 1 1 A 34 34 GLU CB C 31 29.947 29.490 0.457 1
1 391 . 20 1 1 A 34 34 GLU N N 31 126.206 125.638 0.568 1
1 392 . 20 1 1 A 35 35 ALA H H 32 8.614 7.896 0.718 1
1 393 . 20 1 1 A 35 35 ALA HA H 32 4.377 4.354 0.023 1
1 397 . 20 1 1 A 35 35 ALA C C 32 180.260 178.106 2.154 1
1 398 . 20 1 1 A 35 35 ALA CA C 32 55.118 54.144 0.974 1
1 399 . 20 1 1 A 35 35 ALA CB C 32 18.192 19.548 -1.356 1
1 400 . 20 1 1 A 35 35 ALA N N 32 119.251 121.741 -2.490 1
1 401 . 20 1 1 A 36 36 ALA H H 33 8.467 7.940 0.527 1
1 402 . 20 1 1 A 36 36 ALA HA H 33 4.612 4.410 0.202 1
1 406 . 20 1 1 A 36 36 ALA C C 33 177.468 177.652 -0.184 1
1 407 . 20 1 1 A 36 36 ALA CA C 33 51.190 51.374 -0.184 1
1 408 . 20 1 1 A 36 36 ALA CB C 33 19.451 19.758 -0.307 1
1 409 . 20 1 1 A 36 36 ALA N N 33 120.927 117.067 3.860 1
1 410 . 20 1 1 A 37 37 GLY H H 34 7.445 7.901 -0.456 1
1 411 . 20 1 1 A 37 37 GLY HA2 H 34 4.143 4.178 -0.035 1
1 412 . 20 1 1 A 37 37 GLY HA3 H 34 4.010 4.318 -0.308 1
1 413 . 20 1 1 A 37 37 GLY C C 34 174.885 173.099 1.786 1
1 414 . 20 1 1 A 37 37 GLY CA C 34 46.790 45.704 1.086 1
1 415 . 20 1 1 A 37 37 GLY N N 34 105.715 106.922 -1.207 1
1 416 . 20 1 1 A 38 38 ALA H H 35 9.722 8.422 1.300 1
1 417 . 20 1 1 A 38 38 ALA HA H 35 4.053 4.445 -0.392 1
1 421 . 20 1 1 A 38 38 ALA CA C 35 52.676 51.819 0.857 1
1 422 . 20 1 1 A 38 38 ALA CB C 35 20.069 19.320 0.749 1
1 423 . 20 1 1 A 38 38 ALA N N 35 131.782 123.673 8.109 1
1 424 . 20 1 1 A 39 39 ILE H H 36 7.776 8.699 -0.923 1
1 425 . 20 1 1 A 39 39 ILE HA H 36 4.533 4.762 -0.229 1
1 435 . 20 1 1 A 39 39 ILE C C 36 172.754 175.173 -2.419 1
1 436 . 20 1 1 A 39 39 ILE CA C 36 61.429 60.624 0.805 1
1 437 . 20 1 1 A 39 39 ILE CB C 36 40.275 37.289 2.986 1
1 441 . 20 1 1 A 39 39 ILE N N 36 119.692 124.164 -4.472 1
1 442 . 20 1 1 A 40 40 PHE H H 37 8.513 9.365 -0.852 1
1 443 . 20 1 1 A 40 40 PHE HA H 37 5.242 5.794 -0.552 1
1 448 . 20 1 1 A 40 40 PHE C C 37 175.559 174.809 0.750 1
1 449 . 20 1 1 A 40 40 PHE CA C 37 56.375 57.117 -0.742 1
1 450 . 20 1 1 A 40 40 PHE CB C 37 41.794 40.271 1.523 1
1 453 . 20 1 1 A 40 40 PHE N N 37 123.003 126.966 -3.963 1
1 454 . 20 1 1 A 41 41 VAL H H 38 8.898 9.291 -0.393 1
1 455 . 20 1 1 A 41 41 VAL HA H 38 4.981 5.219 -0.238 1
1 463 . 20 1 1 A 41 41 VAL C C 38 174.233 175.465 -1.232 1
1 464 . 20 1 1 A 41 41 VAL CA C 38 60.287 60.981 -0.694 1
1 465 . 20 1 1 A 41 41 VAL CB C 38 35.122 34.601 0.521 1
1 468 . 20 1 1 A 41 41 VAL N N 38 120.239 122.969 -2.730 1
1 469 . 20 1 1 A 42 42 ARG H H 39 9.399 9.018 0.381 1
1 470 . 20 1 1 A 42 42 ARG HA H 39 5.094 5.403 -0.309 1
1 478 . 20 1 1 A 42 42 ARG C C 39 173.198 174.857 -1.659 1
1 479 . 20 1 1 A 42 42 ARG CA C 39 54.067 54.990 -0.923 1
1 480 . 20 1 1 A 42 42 ARG CB C 39 33.430 32.589 0.841 1
1 483 . 20 1 1 A 42 42 ARG N N 39 129.107 124.596 4.511 1
1 485 . 20 1 1 A 43 43 GLN H H 40 9.402 9.041 0.361 1
1 486 . 20 1 1 A 43 43 GLN HA H 40 5.371 4.838 0.533 1
1 493 . 20 1 1 A 43 43 GLN C C 40 174.278 174.829 -0.551 1
1 494 . 20 1 1 A 43 43 GLN CA C 40 52.778 56.111 -3.333 1
1 495 . 20 1 1 A 43 43 GLN CB C 40 31.703 29.925 1.778 1
1 497 . 20 1 1 A 43 43 GLN N N 40 127.936 124.629 3.307 1
1 499 . 20 1 1 A 44 44 ARG H H 41 8.875 8.624 0.251 1
1 500 . 20 1 1 A 44 44 ARG HA H 41 4.488 4.919 -0.431 1
1 507 . 20 1 1 A 44 44 ARG C C 41 175.417 175.263 0.154 1
1 508 . 20 1 1 A 44 44 ARG CA C 41 56.319 54.698 1.621 1
1 509 . 20 1 1 A 44 44 ARG CB C 41 31.231 32.878 -1.647 1
1 512 . 20 1 1 A 44 44 ARG N N 41 127.617 127.427 0.190 1
1 513 . 20 1 1 A 45 45 LEU H H 42 8.494 8.802 -0.308 1
1 514 . 20 1 1 A 45 45 LEU HA H 42 4.480 4.574 -0.094 1
1 524 . 20 1 1 A 45 45 LEU C C 42 179.893 178.234 1.659 1
1 525 . 20 1 1 A 45 45 LEU CA C 42 53.972 54.177 -0.205 1
1 526 . 20 1 1 A 45 45 LEU CB C 42 42.206 42.070 0.136 1
1 530 . 20 1 1 A 45 45 LEU N N 42 125.380 128.109 -2.729 1
1 531 . 20 1 1 A 46 46 ARG H H 43 9.223 8.855 0.368 1
1 532 . 20 1 1 A 46 46 ARG HA H 43 3.929 4.075 -0.146 1
1 539 . 20 1 1 A 46 46 ARG C C 43 177.114 177.344 -0.230 1
1 540 . 20 1 1 A 46 46 ARG CA C 43 58.773 58.420 0.353 1
1 541 . 20 1 1 A 46 46 ARG CB C 43 29.688 29.927 -0.239 1
1 544 . 20 1 1 A 46 46 ARG N N 43 121.380 122.272 -0.892 1
1 545 . 20 1 1 A 47 47 ASP H H 44 7.727 7.981 -0.254 1
1 546 . 20 1 1 A 47 47 ASP HA H 44 4.373 4.624 -0.251 1
1 549 . 20 1 1 A 47 47 ASP C C 44 177.125 176.498 0.627 1
1 550 . 20 1 1 A 47 47 ASP CA C 44 53.256 54.168 -0.912 1
1 551 . 20 1 1 A 47 47 ASP CB C 44 39.993 40.960 -0.967 1
1 552 . 20 1 1 A 47 47 ASP N N 44 115.801 117.821 -2.020 1
1 553 . 20 1 1 A 48 48 GLY H H 45 7.878 7.988 -0.110 1
1 554 . 20 1 1 A 48 48 GLY HA2 H 45 4.237 3.938 0.299 1
1 555 . 20 1 1 A 48 48 GLY HA3 H 45 3.531 3.939 -0.408 1
1 556 . 20 1 1 A 48 48 GLY C C 45 175.041 174.057 0.984 1
1 557 . 20 1 1 A 48 48 GLY CA C 45 45.289 45.088 0.201 1
1 558 . 20 1 1 A 48 48 GLY N N 45 108.005 107.215 0.790 1
1 559 . 20 1 1 A 49 49 ARG H H 46 7.696 7.845 -0.149 1
1 560 . 20 1 1 A 49 49 ARG HA H 46 4.309 4.701 -0.392 1
1 567 . 20 1 1 A 49 49 ARG C C 46 174.199 175.221 -1.022 1
1 568 . 20 1 1 A 49 49 ARG CA C 46 55.909 55.481 0.428 1
1 569 . 20 1 1 A 49 49 ARG CB C 46 31.226 31.947 -0.721 1
1 572 . 20 1 1 A 49 49 ARG N N 46 120.601 120.444 0.157 1
1 573 . 20 1 1 A 50 50 GLU H H 47 8.885 8.692 0.193 1
1 574 . 20 1 1 A 50 50 GLU HA H 47 5.381 5.373 0.008 1
1 579 . 20 1 1 A 50 50 GLU C C 47 175.590 175.637 -0.047 1
1 580 . 20 1 1 A 50 50 GLU CA C 47 55.057 54.947 0.110 1
1 581 . 20 1 1 A 50 50 GLU CB C 47 35.650 34.439 1.211 1
1 583 . 20 1 1 A 50 50 GLU N N 47 116.439 118.579 -2.140 1
1 584 . 20 1 1 A 51 51 ASN H H 48 8.683 8.704 -0.021 1
1 585 . 20 1 1 A 51 51 ASN HA H 48 5.153 5.438 -0.285 1
1 590 . 20 1 1 A 51 51 ASN C C 48 173.562 172.885 0.677 1
1 591 . 20 1 1 A 51 51 ASN CA C 48 50.361 51.966 -1.605 1
1 592 . 20 1 1 A 51 51 ASN CB C 48 41.823 42.552 -0.729 1
1 593 . 20 1 1 A 51 51 ASN N N 48 114.752 118.494 -3.742 1
1 595 . 20 1 1 A 52 52 LEU H H 49 8.847 8.495 0.352 1
1 596 . 20 1 1 A 52 52 LEU HA H 49 5.274 4.970 0.304 1
1 606 . 20 1 1 A 52 52 LEU C C 49 174.213 174.351 -0.138 1
1 607 . 20 1 1 A 52 52 LEU CA C 49 52.889 53.182 -0.293 1
1 608 . 20 1 1 A 52 52 LEU CB C 49 46.300 44.505 1.795 1
1 612 . 20 1 1 A 52 52 LEU N N 49 120.365 125.792 -5.427 1
1 613 . 20 1 1 A 53 53 TYR H H 50 9.641 9.213 0.428 1
1 614 . 20 1 1 A 53 53 TYR HA H 50 5.519 5.877 -0.358 1
1 621 . 20 1 1 A 53 53 TYR C C 50 175.473 175.475 -0.002 1
1 622 . 20 1 1 A 53 53 TYR CA C 50 55.928 55.684 0.244 1
1 623 . 20 1 1 A 53 53 TYR CB C 50 40.076 42.579 -2.503 1
1 628 . 20 1 1 A 53 53 TYR N N 50 127.507 124.524 2.983 1
1 629 . 20 1 1 A 54 54 GLY H H 51 8.893 8.799 0.094 1
1 630 . 20 1 1 A 54 54 GLY HA2 H 51 4.687 3.730 0.957 1
1 631 . 20 1 1 A 54 54 GLY HA3 H 51 3.127 3.888 -0.761 1
1 632 . 20 1 1 A 54 54 GLY CA C 51 44.040 43.889 0.151 1
1 633 . 20 1 1 A 54 54 GLY N N 51 108.518 110.075 -1.557 1
1 634 . 20 1 1 A 55 55 PRO HA H 52 3.849 3.927 -0.078 1
1 641 . 20 1 1 A 55 55 PRO C C 52 176.695 176.672 0.023 1
1 642 . 20 1 1 A 55 55 PRO CA C 52 63.187 62.163 1.024 1
1 643 . 20 1 1 A 55 55 PRO CB C 52 32.096 31.211 0.885 1
1 646 . 20 1 1 A 56 56 ALA H H 53 7.675 8.013 -0.338 1
1 647 . 20 1 1 A 56 56 ALA HA H 53 4.242 4.636 -0.394 1
1 651 . 20 1 1 A 56 56 ALA CA C 53 49.506 50.690 -1.184 1
1 652 . 20 1 1 A 56 56 ALA CB C 53 18.096 17.499 0.597 1
1 653 . 20 1 1 A 56 56 ALA N N 53 126.695 125.193 1.502 1
1 654 . 20 1 1 A 57 57 PRO HA H 54 4.186 4.642 -0.456 1
1 661 . 20 1 1 A 57 57 PRO C C 54 179.368 176.300 3.068 1
1 662 . 20 1 1 A 57 57 PRO CA C 54 63.116 62.443 0.673 1
1 663 . 20 1 1 A 57 57 PRO CB C 54 31.747 30.548 1.199 1
1 666 . 20 1 1 A 58 58 GLN H H 55 8.278 8.186 0.092 1
1 667 . 20 1 1 A 58 58 GLN HA H 55 4.083 4.299 -0.216 1
1 674 . 20 1 1 A 58 58 GLN C C 55 175.368 175.656 -0.288 1
1 675 . 20 1 1 A 58 58 GLN CA C 55 55.635 56.437 -0.802 1
1 676 . 20 1 1 A 58 58 GLN CB C 55 29.927 29.362 0.565 1
1 678 . 20 1 1 A 58 58 GLN N N 55 121.313 122.505 -1.192 1
1 680 . 20 1 1 A 59 59 SER H H 56 8.182 8.690 -0.508 1
1 681 . 20 1 1 A 59 59 SER HA H 56 4.246 4.607 -0.361 1
1 684 . 20 1 1 A 59 59 SER C C 56 174.075 173.815 0.260 1
1 685 . 20 1 1 A 59 59 SER CA C 56 57.667 57.613 0.054 1
1 686 . 20 1 1 A 59 59 SER CB C 56 63.751 62.308 1.443 1
1 687 . 20 1 1 A 59 59 SER N N 56 117.615 119.806 -2.191 1
1 688 . 20 1 1 A 60 60 PHE H H 57 8.100 7.907 0.193 1
1 689 . 20 1 1 A 60 60 PHE HA H 57 4.493 5.152 -0.659 1
1 696 . 20 1 1 A 60 60 PHE C C 57 175.439 174.424 1.015 1
1 697 . 20 1 1 A 60 60 PHE CA C 57 57.622 55.334 2.288 1
1 698 . 20 1 1 A 60 60 PHE CB C 57 39.519 41.493 -1.974 1
1 703 . 20 1 1 A 60 60 PHE N N 57 121.890 120.683 1.207 1
1 704 . 20 1 1 A 61 61 ALA H H 58 8.234 8.508 -0.274 1
1 705 . 20 1 1 A 61 61 ALA HA H 58 4.165 4.816 -0.651 1
1 709 . 20 1 1 A 61 61 ALA C C 58 179.286 177.164 2.122 1
1 710 . 20 1 1 A 61 61 ALA CA C 58 52.471 50.543 1.928 1
1 711 . 20 1 1 A 61 61 ALA CB C 58 19.444 20.381 -0.937 1
1 712 . 20 1 1 A 61 61 ALA N N 58 124.383 123.329 1.054 1
1 713 . 20 1 1 A 62 62 ASP H H 59 8.017 9.214 -1.197 1
1 714 . 20 1 1 A 62 62 ASP HA H 59 4.412 4.609 -0.197 1
1 717 . 20 1 1 A 62 62 ASP C C 59 176.073 174.962 1.111 1
1 718 . 20 1 1 A 62 62 ASP CA C 59 54.360 56.223 -1.863 1
1 719 . 20 1 1 A 62 62 ASP CB C 59 41.213 40.770 0.443 1
1 720 . 20 1 1 A 62 62 ASP N N 59 118.579 124.504 -5.925 1
1 721 . 20 1 1 A 63 63 ASP H H 60 8.096 8.386 -0.290 1
1 722 . 20 1 1 A 63 63 ASP HA H 60 4.346 4.595 -0.249 1
1 725 . 20 1 1 A 63 63 ASP C C 60 176.619 176.291 0.328 1
1 726 . 20 1 1 A 63 63 ASP CA C 60 54.714 53.219 1.495 1
1 727 . 20 1 1 A 63 63 ASP CB C 60 40.801 42.542 -1.741 1
1 728 . 20 1 1 A 63 63 ASP N N 60 119.530 119.236 0.294 1
1 729 . 20 1 1 A 64 64 GLU H H 61 8.109 7.894 0.215 1
1 730 . 20 1 1 A 64 64 GLU HA H 61 4.012 4.121 -0.109 1
1 735 . 20 1 1 A 64 64 GLU C C 61 176.652 178.585 -1.933 1
1 736 . 20 1 1 A 64 64 GLU CA C 61 57.301 59.180 -1.879 1
1 737 . 20 1 1 A 64 64 GLU CB C 61 30.107 30.074 0.033 1
1 739 . 20 1 1 A 64 64 GLU N N 61 120.050 120.689 -0.639 1
1 740 . 20 1 1 A 65 65 ASP H H 62 8.062 8.433 -0.371 1
1 741 . 20 1 1 A 65 65 ASP HA H 62 4.369 4.432 -0.063 1
1 744 . 20 1 1 A 65 65 ASP C C 62 177.458 178.235 -0.777 1
1 745 . 20 1 1 A 65 65 ASP CA C 62 54.645 56.270 -1.625 1
1 746 . 20 1 1 A 65 65 ASP CB C 62 40.896 40.589 0.307 1
1 747 . 20 1 1 A 65 65 ASP N N 62 120.211 119.881 0.330 1
1 748 . 20 1 1 A 66 66 ILE H H 63 7.805 7.413 0.392 1
1 749 . 20 1 1 A 66 66 ILE HA H 63 3.708 3.738 -0.030 1
1 759 . 20 1 1 A 66 66 ILE C C 63 176.802 177.463 -0.661 1
1 760 . 20 1 1 A 66 66 ILE CA C 63 62.754 64.563 -1.809 1
1 761 . 20 1 1 A 66 66 ILE CB C 63 38.230 37.885 0.345 1
1 765 . 20 1 1 A 66 66 ILE N N 63 121.259 120.080 1.179 1
1 766 . 20 1 1 A 67 67 MET H H 64 7.950 7.303 0.647 1
1 767 . 20 1 1 A 67 67 MET HA H 64 4.229 4.602 -0.373 1
1 775 . 20 1 1 A 67 67 MET C C 64 176.724 176.828 -0.104 1
1 776 . 20 1 1 A 67 67 MET CA C 64 55.944 54.280 1.664 1
1 777 . 20 1 1 A 67 67 MET CB C 64 31.826 33.551 -1.725 1
1 780 . 20 1 1 A 67 67 MET N N 64 118.533 116.490 2.043 1
1 781 . 20 1 1 A 68 68 ARG H H 65 7.604 7.886 -0.282 1
1 782 . 20 1 1 A 68 68 ARG HA H 65 4.197 4.434 -0.237 1
1 789 . 20 1 1 A 68 68 ARG C C 65 175.530 175.676 -0.146 1
1 790 . 20 1 1 A 68 68 ARG CA C 65 56.028 55.825 0.203 1
1 791 . 20 1 1 A 68 68 ARG CB C 65 30.760 32.037 -1.277 1
1 794 . 20 1 1 A 68 68 ARG N N 65 118.706 117.687 1.019 1
1 795 . 20 1 1 A 69 69 ALA H H 66 7.634 7.604 0.030 1
1 796 . 20 1 1 A 69 69 ALA HA H 66 4.254 4.769 -0.515 1
1 800 . 20 1 1 A 69 69 ALA C C 66 176.846 175.771 1.075 1
1 801 . 20 1 1 A 69 69 ALA CA C 66 51.905 50.538 1.367 1
1 802 . 20 1 1 A 69 69 ALA CB C 66 20.023 22.611 -2.588 1
1 803 . 20 1 1 A 69 69 ALA N N 66 123.528 119.887 3.641 1
1 804 . 20 1 1 A 70 70 GLU H H 67 8.192 8.577 -0.385 1
1 805 . 20 1 1 A 70 70 GLU HA H 67 4.228 4.411 -0.183 1
1 810 . 20 1 1 A 70 70 GLU C C 67 176.333 176.226 0.107 1
1 811 . 20 1 1 A 70 70 GLU CA C 67 55.928 55.919 0.009 1
1 812 . 20 1 1 A 70 70 GLU CB C 67 30.769 30.669 0.100 1
1 814 . 20 1 1 A 70 70 GLU N N 67 120.599 122.824 -2.225 1
1 815 . 20 1 1 A 71 71 ARG H H 68 8.674 8.360 0.314 1
1 816 . 20 1 1 A 71 71 ARG HA H 68 3.696 4.087 -0.391 1
1 823 . 20 1 1 A 71 71 ARG C C 68 175.422 175.257 0.165 1
1 824 . 20 1 1 A 71 71 ARG CA C 68 56.964 56.250 0.714 1
1 825 . 20 1 1 A 71 71 ARG CB C 68 30.886 30.181 0.705 1
1 828 . 20 1 1 A 71 71 ARG N N 68 123.533 123.162 0.371 1
1 829 . 20 1 1 A 72 72 ARG H H 69 7.660 8.591 -0.931 1
1 830 . 20 1 1 A 72 72 ARG HA H 69 4.642 5.172 -0.530 1
1 837 . 20 1 1 A 72 72 ARG C C 69 175.051 175.123 -0.072 1
1 838 . 20 1 1 A 72 72 ARG CA C 69 54.297 54.299 -0.002 1
1 839 . 20 1 1 A 72 72 ARG CB C 69 33.555 33.946 -0.391 1
1 842 . 20 1 1 A 72 72 ARG N N 69 120.057 123.791 -3.734 1
1 843 . 20 1 1 A 73 73 PHE H H 70 8.714 8.845 -0.131 1
1 844 . 20 1 1 A 73 73 PHE HA H 70 5.020 5.129 -0.109 1
1 852 . 20 1 1 A 73 73 PHE C C 70 173.159 174.543 -1.384 1
1 853 . 20 1 1 A 73 73 PHE CA C 70 57.359 57.137 0.222 1
1 854 . 20 1 1 A 73 73 PHE CB C 70 43.426 42.368 1.058 1
1 860 . 20 1 1 A 73 73 PHE N N 70 119.519 123.439 -3.920 1
1 861 . 20 1 1 A 74 74 GLU H H 71 9.404 9.166 0.238 1
1 862 . 20 1 1 A 74 74 GLU HA H 71 4.996 5.101 -0.105 1
1 867 . 20 1 1 A 74 74 GLU C C 71 175.559 174.942 0.617 1
1 868 . 20 1 1 A 74 74 GLU CA C 71 52.975 54.797 -1.822 1
1 869 . 20 1 1 A 74 74 GLU CB C 71 33.399 33.514 -0.115 1
1 871 . 20 1 1 A 74 74 GLU N N 71 117.679 118.677 -0.998 1
1 872 . 20 1 1 A 75 75 THR H H 72 9.801 9.121 0.680 1
1 873 . 20 1 1 A 75 75 THR HA H 72 4.108 4.524 -0.416 1
1 878 . 20 1 1 A 75 75 THR C C 72 175.065 173.875 1.190 1
1 879 . 20 1 1 A 75 75 THR CA C 72 64.296 63.109 1.187 1
1 880 . 20 1 1 A 75 75 THR CB C 72 67.635 68.213 -0.578 1
1 882 . 20 1 1 A 75 75 THR N N 72 122.320 119.388 2.932 1
1 883 . 20 1 1 A 76 76 ARG H H 73 9.150 8.959 0.191 1
1 884 . 20 1 1 A 76 76 ARG HA H 73 4.283 4.281 0.002 1
1 892 . 20 1 1 A 76 76 ARG C C 73 176.574 176.453 0.121 1
1 893 . 20 1 1 A 76 76 ARG CA C 73 55.858 58.620 -2.762 1
1 894 . 20 1 1 A 76 76 ARG CB C 73 30.930 30.612 0.318 1
1 897 . 20 1 1 A 76 76 ARG N N 73 127.709 128.450 -0.741 1
1 899 . 20 1 1 A 77 77 LEU H H 74 7.520 7.784 -0.264 1
1 900 . 20 1 1 A 77 77 LEU HA H 74 4.480 4.792 -0.312 1
1 910 . 20 1 1 A 77 77 LEU C C 74 174.509 175.504 -0.995 1
1 911 . 20 1 1 A 77 77 LEU CA C 74 54.222 53.043 1.179 1
1 912 . 20 1 1 A 77 77 LEU CB C 74 47.315 45.187 2.128 1
1 916 . 20 1 1 A 77 77 LEU N N 74 117.021 118.773 -1.752 1
1 917 . 20 1 1 A 78 78 ALA H H 75 8.600 8.459 0.141 1
1 918 . 20 1 1 A 78 78 ALA HA H 75 4.999 5.033 -0.034 1
1 922 . 20 1 1 A 78 78 ALA C C 75 176.343 177.111 -0.768 1
1 923 . 20 1 1 A 78 78 ALA CA C 75 50.324 51.587 -1.263 1
1 924 . 20 1 1 A 78 78 ALA CB C 75 21.074 22.461 -1.387 1
1 925 . 20 1 1 A 78 78 ALA N N 75 124.663 122.499 2.164 1
1 926 . 20 1 1 A 79 79 GLY H H 76 8.730 8.547 0.183 1
1 927 . 20 1 1 A 79 79 GLY HA2 H 76 3.706 3.838 -0.132 1
1 928 . 20 1 1 A 79 79 GLY HA3 H 76 3.306 3.838 -0.532 1
1 929 . 20 1 1 A 79 79 GLY C C 76 175.173 174.101 1.072 1
1 930 . 20 1 1 A 79 79 GLY CA C 76 47.520 46.697 0.823 1
1 931 . 20 1 1 A 79 79 GLY N N 76 114.411 110.970 3.441 1
1 932 . 20 1 1 A 80 80 VAL H H 77 8.380 7.707 0.673 1
1 933 . 20 1 1 A 80 80 VAL HA H 77 4.643 4.554 0.089 1
1 941 . 20 1 1 A 80 80 VAL C C 77 175.208 174.572 0.636 1
1 942 . 20 1 1 A 80 80 VAL CA C 77 59.289 60.087 -0.798 1
1 943 . 20 1 1 A 80 80 VAL CB C 77 34.226 33.701 0.525 1
1 946 . 20 1 1 A 80 80 VAL N N 77 112.611 117.114 -4.503 1
1 947 . 20 1 1 A 81 81 GLU H H 78 8.415 8.562 -0.147 1
1 948 . 20 1 1 A 81 81 GLU HA H 78 4.451 4.808 -0.357 1
1 953 . 20 1 1 A 81 81 GLU C C 78 178.955 177.083 1.872 1
1 954 . 20 1 1 A 81 81 GLU CA C 78 55.631 54.407 1.224 1
1 955 . 20 1 1 A 81 81 GLU CB C 78 30.535 32.114 -1.579 1
1 957 . 20 1 1 A 81 81 GLU N N 78 117.186 118.672 -1.486 1
1 958 . 20 1 1 A 82 82 GLY H H 79 8.834 9.074 -0.240 1
1 959 . 20 1 1 A 82 82 GLY HA2 H 79 3.810 3.847 -0.037 1
1 960 . 20 1 1 A 82 82 GLY HA3 H 79 3.518 3.848 -0.330 1
1 961 . 20 1 1 A 82 82 GLY C C 79 176.446 175.669 0.777 1
1 962 . 20 1 1 A 82 82 GLY CA C 79 47.629 47.216 0.413 1
1 963 . 20 1 1 A 82 82 GLY N N 79 109.312 107.667 1.645 1
1 964 . 20 1 1 A 83 83 GLU H H 80 8.747 8.231 0.516 1
1 965 . 20 1 1 A 83 83 GLU HA H 80 3.972 4.037 -0.065 1
1 970 . 20 1 1 A 83 83 GLU C C 80 179.046 179.217 -0.171 1
1 971 . 20 1 1 A 83 83 GLU CA C 80 59.403 59.282 0.121 1
1 972 . 20 1 1 A 83 83 GLU CB C 80 29.005 29.216 -0.211 1
1 974 . 20 1 1 A 83 83 GLU N N 80 119.416 121.617 -2.201 1
1 975 . 20 1 1 A 84 84 GLU H H 81 7.588 7.793 -0.205 1
1 976 . 20 1 1 A 84 84 GLU HA H 81 4.003 4.084 -0.081 1
1 981 . 20 1 1 A 84 84 GLU C C 81 179.682 179.561 0.121 1
1 982 . 20 1 1 A 84 84 GLU CA C 81 59.213 59.230 -0.017 1
1 983 . 20 1 1 A 84 84 GLU CB C 81 29.473 29.532 -0.059 1
1 985 . 20 1 1 A 84 84 GLU N N 81 120.110 119.012 1.098 1
1 986 . 20 1 1 A 85 85 ILE H H 82 6.936 7.928 -0.992 1
1 987 . 20 1 1 A 85 85 ILE HA H 82 3.356 3.602 -0.246 1
1 997 . 20 1 1 A 85 85 ILE C C 82 177.308 178.068 -0.760 1
1 998 . 20 1 1 A 85 85 ILE CA C 82 64.055 65.821 -1.766 1
1 999 . 20 1 1 A 85 85 ILE CB C 82 36.836 38.618 -1.782 1
1 1003 . 20 1 1 A 85 85 ILE N N 82 120.268 121.454 -1.186 1
1 1004 . 20 1 1 A 86 86 ALA H H 83 8.292 8.241 0.051 1
1 1005 . 20 1 1 A 86 86 ALA HA H 83 3.787 4.020 -0.233 1
1 1009 . 20 1 1 A 86 86 ALA C C 83 180.345 179.721 0.624 1
1 1010 . 20 1 1 A 86 86 ALA CA C 83 55.103 55.015 0.088 1
1 1011 . 20 1 1 A 86 86 ALA CB C 83 17.928 18.204 -0.276 1
1 1012 . 20 1 1 A 86 86 ALA N N 83 121.052 121.221 -0.169 1
1 1013 . 20 1 1 A 87 87 ALA H H 84 7.516 7.823 -0.307 1
1 1014 . 20 1 1 A 87 87 ALA HA H 84 4.006 4.083 -0.077 1
1 1018 . 20 1 1 A 87 87 ALA C C 84 180.272 179.484 0.788 1
1 1019 . 20 1 1 A 87 87 ALA CA C 84 54.765 54.991 -0.226 1
1 1020 . 20 1 1 A 87 87 ALA CB C 84 17.949 18.189 -0.240 1
1 1021 . 20 1 1 A 87 87 ALA N N 84 119.052 120.245 -1.193 1
1 1022 . 20 1 1 A 88 88 LEU H H 85 7.285 7.396 -0.111 1
1 1023 . 20 1 1 A 88 88 LEU HA H 85 4.042 4.133 -0.091 1
1 1033 . 20 1 1 A 88 88 LEU C C 85 174.921 178.780 -3.859 1
1 1034 . 20 1 1 A 88 88 LEU CA C 85 58.290 57.381 0.909 1
1 1035 . 20 1 1 A 88 88 LEU CB C 85 41.610 41.716 -0.106 1
1 1039 . 20 1 1 A 88 88 LEU N N 85 121.211 118.952 2.259 1
1 1040 . 20 1 1 A 89 89 LEU H H 86 8.472 8.212 0.260 1
1 1041 . 20 1 1 A 89 89 LEU HA H 86 3.486 3.792 -0.306 1
1 1051 . 20 1 1 A 89 89 LEU C C 86 178.855 179.444 -0.589 1
1 1052 . 20 1 1 A 89 89 LEU CA C 86 57.476 57.145 0.331 1
1 1053 . 20 1 1 A 89 89 LEU CB C 86 41.478 40.960 0.518 1
1 1057 . 20 1 1 A 89 89 LEU N N 86 118.740 118.181 0.559 1
1 1058 . 20 1 1 A 90 90 GLU H H 87 7.926 8.115 -0.189 1
1 1059 . 20 1 1 A 90 90 GLU HA H 87 3.726 3.956 -0.230 1
1 1064 . 20 1 1 A 90 90 GLU C C 87 178.738 179.038 -0.300 1
1 1065 . 20 1 1 A 90 90 GLU CA C 87 59.511 59.227 0.284 1
1 1066 . 20 1 1 A 90 90 GLU CB C 87 28.855 29.227 -0.372 1
1 1068 . 20 1 1 A 90 90 GLU N N 87 119.669 120.513 -0.844 1
1 1069 . 20 1 1 A 91 91 ARG H H 88 7.069 7.750 -0.681 1
1 1070 . 20 1 1 A 91 91 ARG HA H 88 3.762 4.156 -0.394 1
1 1077 . 20 1 1 A 91 91 ARG C C 88 178.920 179.333 -0.413 1
1 1078 . 20 1 1 A 91 91 ARG CA C 88 59.544 59.543 0.001 1
1 1079 . 20 1 1 A 91 91 ARG CB C 88 29.723 30.447 -0.724 1
1 1082 . 20 1 1 A 91 91 ARG N N 88 119.088 119.284 -0.196 1
1 1083 . 20 1 1 A 92 92 GLU H H 89 8.170 8.436 -0.266 1
1 1084 . 20 1 1 A 92 92 GLU HA H 89 4.021 4.228 -0.207 1
1 1089 . 20 1 1 A 92 92 GLU C C 89 180.250 179.804 0.446 1
1 1090 . 20 1 1 A 92 92 GLU CA C 89 58.661 59.009 -0.348 1
1 1091 . 20 1 1 A 92 92 GLU CB C 89 28.073 28.916 -0.843 1
1 1093 . 20 1 1 A 92 92 GLU N N 89 117.768 119.547 -1.779 1
1 1094 . 20 1 1 A 93 93 ARG H H 90 8.355 7.775 0.580 1
1 1095 . 20 1 1 A 93 93 ARG HA H 90 4.003 4.315 -0.312 1
1 1102 . 20 1 1 A 93 93 ARG C C 90 177.592 178.556 -0.964 1
1 1103 . 20 1 1 A 93 93 ARG CA C 90 57.744 58.926 -1.182 1
1 1104 . 20 1 1 A 93 93 ARG CB C 90 30.325 29.905 0.420 1
1 1107 . 20 1 1 A 93 93 ARG N N 90 119.179 118.820 0.359 1
1 1108 . 20 1 1 A 94 94 ARG H H 91 7.232 7.695 -0.463 1
1 1109 . 20 1 1 A 94 94 ARG HA H 91 3.788 3.931 -0.143 1
1 1116 . 20 1 1 A 94 94 ARG C C 91 177.986 178.674 -0.688 1
1 1117 . 20 1 1 A 94 94 ARG CA C 91 58.462 58.722 -0.260 1
1 1118 . 20 1 1 A 94 94 ARG CB C 91 29.565 29.550 0.015 1
1 1121 . 20 1 1 A 94 94 ARG N N 91 118.441 119.853 -1.412 1
1 1122 . 20 1 1 A 95 95 PHE H H 92 7.048 7.496 -0.448 1
1 1123 . 20 1 1 A 95 95 PHE HA H 92 4.474 4.333 0.141 1
1 1128 . 20 1 1 A 95 95 PHE C C 92 175.728 176.191 -0.463 1
1 1129 . 20 1 1 A 95 95 PHE CA C 92 58.210 59.843 -1.633 1
1 1130 . 20 1 1 A 95 95 PHE CB C 92 39.724 40.032 -0.308 1
1 1133 . 20 1 1 A 95 95 PHE N N 92 115.951 116.912 -0.961 1
1 1134 . 20 1 1 A 96 96 ASP H H 93 7.793 8.239 -0.446 1
1 1135 . 20 1 1 A 96 96 ASP HA H 93 4.703 4.940 -0.237 1
1 1138 . 20 1 1 A 96 96 ASP C C 93 179.474 175.984 3.490 1
1 1139 . 20 1 1 A 96 96 ASP CA C 93 53.103 53.162 -0.059 1
1 1140 . 20 1 1 A 96 96 ASP CB C 93 41.634 41.757 -0.123 1
1 1141 . 20 1 1 A 96 96 ASP N N 93 119.328 118.161 1.167 1
1 1142 . 20 1 1 A 97 97 SER H H 94 8.490 8.968 -0.478 1
1 1143 . 20 1 1 A 97 97 SER HA H 94 4.204 4.414 -0.210 1
1 1146 . 20 1 1 A 97 97 SER C C 94 175.549 174.952 0.597 1
1 1147 . 20 1 1 A 97 97 SER CA C 94 60.047 60.062 -0.015 1
1 1148 . 20 1 1 A 97 97 SER CB C 94 63.408 62.966 0.442 1
1 1149 . 20 1 1 A 97 97 SER N N 94 118.740 121.222 -2.482 1
1 1150 . 20 1 1 A 98 98 ASP H H 95 8.229 7.971 0.258 1
1 1151 . 20 1 1 A 98 98 ASP HA H 95 4.684 4.734 -0.050 1
1 1154 . 20 1 1 A 98 98 ASP C C 95 175.547 175.854 -0.307 1
1 1155 . 20 1 1 A 98 98 ASP CA C 95 54.380 54.424 -0.044 1
1 1156 . 20 1 1 A 98 98 ASP CB C 95 42.267 41.311 0.956 1
1 1157 . 20 1 1 A 98 98 ASP N N 95 121.306 119.530 1.776 1
1 1158 . 20 1 1 A 99 99 LEU H H 96 6.613 7.462 -0.849 1
1 1159 . 20 1 1 A 99 99 LEU HA H 96 4.801 4.719 0.082 1
1 1169 . 20 1 1 A 99 99 LEU C C 96 176.224 176.195 0.029 1
1 1170 . 20 1 1 A 99 99 LEU CA C 96 55.691 53.914 1.777 1
1 1171 . 20 1 1 A 99 99 LEU CB C 96 42.272 43.522 -1.250 1
1 1175 . 20 1 1 A 99 99 LEU N N 96 117.774 117.599 0.175 1
1 1176 . 20 1 1 A 100 100 TRP H H 97 9.750 9.434 0.316 1
1 1177 . 20 1 1 A 100 100 TRP HA H 97 4.757 5.524 -0.767 1
1 1186 . 20 1 1 A 100 100 TRP C C 97 176.737 175.181 1.556 1
1 1187 . 20 1 1 A 100 100 TRP CA C 97 55.634 55.803 -0.169 1
1 1188 . 20 1 1 A 100 100 TRP CB C 97 31.794 32.367 -0.573 1
1 1194 . 20 1 1 A 100 100 TRP N N 97 120.649 120.804 -0.155 1
1 1196 . 20 1 1 A 101 101 VAL H H 98 9.096 8.825 0.271 1
1 1197 . 20 1 1 A 101 101 VAL HA H 98 5.018 5.388 -0.370 1
1 1205 . 20 1 1 A 101 101 VAL C C 98 175.816 175.058 0.758 1
1 1206 . 20 1 1 A 101 101 VAL CA C 98 61.998 61.531 0.467 1
1 1207 . 20 1 1 A 101 101 VAL CB C 98 34.180 33.526 0.654 1
1 1210 . 20 1 1 A 101 101 VAL N N 98 117.960 123.053 -5.093 1
1 1211 . 20 1 1 A 102 102 VAL H H 99 9.113 9.036 0.077 1
1 1212 . 20 1 1 A 102 102 VAL HA H 99 4.546 4.853 -0.307 1
1 1220 . 20 1 1 A 102 102 VAL C C 99 173.388 174.959 -1.571 1
1 1221 . 20 1 1 A 102 102 VAL CA C 99 60.987 61.325 -0.338 1
1 1222 . 20 1 1 A 102 102 VAL CB C 99 34.654 34.709 -0.055 1
1 1225 . 20 1 1 A 102 102 VAL N N 99 129.775 127.978 1.797 1
1 1226 . 20 1 1 A 103 103 GLU H H 100 9.226 8.730 0.496 1
1 1227 . 20 1 1 A 103 103 GLU HA H 100 5.376 4.760 0.616 1
1 1232 . 20 1 1 A 103 103 GLU C C 100 175.058 176.131 -1.073 1
1 1233 . 20 1 1 A 103 103 GLU CA C 100 54.158 55.969 -1.811 1
1 1234 . 20 1 1 A 103 103 GLU CB C 100 31.835 30.423 1.412 1
1 1236 . 20 1 1 A 103 103 GLU N N 100 128.249 127.329 0.920 1
1 1237 . 20 1 1 A 104 104 ILE H H 101 9.141 9.157 -0.016 1
1 1238 . 20 1 1 A 104 104 ILE HA H 101 5.021 5.126 -0.105 1
1 1248 . 20 1 1 A 104 104 ILE C C 101 173.727 174.105 -0.378 1
1 1249 . 20 1 1 A 104 104 ILE CA C 101 59.226 59.210 0.016 1
1 1250 . 20 1 1 A 104 104 ILE CB C 101 42.192 41.096 1.096 1
1 1254 . 20 1 1 A 104 104 ILE N N 101 118.638 120.950 -2.312 1
1 1255 . 20 1 1 A 105 105 GLU H H 102 9.018 9.194 -0.176 1
1 1256 . 20 1 1 A 105 105 GLU HA H 102 4.800 5.004 -0.204 1
1 1261 . 20 1 1 A 105 105 GLU C C 102 174.832 175.380 -0.548 1
1 1262 . 20 1 1 A 105 105 GLU CA C 102 55.362 55.240 0.122 1
1 1263 . 20 1 1 A 105 105 GLU CB C 102 31.160 31.093 0.067 1
1 1265 . 20 1 1 A 105 105 GLU N N 102 125.842 125.037 0.805 1
1 1266 . 20 1 1 A 106 106 THR H H 103 7.678 8.362 -0.684 1
1 1267 . 20 1 1 A 106 106 THR HA H 103 4.424 4.839 -0.415 1
1 1272 . 20 1 1 A 106 106 THR C C 103 172.175 172.322 -0.147 1
1 1273 . 20 1 1 A 106 106 THR CA C 103 60.772 60.491 0.281 1
1 1274 . 20 1 1 A 106 106 THR CB C 103 67.599 69.382 -1.783 1
1 1276 . 20 1 1 A 106 106 THR N N 103 118.569 119.979 -1.410 1
1 1277 . 20 1 1 A 107 107 ASP H H 104 8.400 8.898 -0.498 1
1 1278 . 20 1 1 A 107 107 ASP HA H 104 4.635 4.702 -0.067 1
1 1281 . 20 1 1 A 107 107 ASP C C 104 176.214 176.165 0.049 1
1 1282 . 20 1 1 A 107 107 ASP CA C 104 55.771 54.142 1.629 1
1 1283 . 20 1 1 A 107 107 ASP CB C 104 41.463 42.179 -0.716 1
1 1284 . 20 1 1 A 107 107 ASP N N 104 125.388 125.005 0.383 1
1 1285 . 20 1 1 A 108 108 GLU H H 105 7.995 7.798 0.197 1
1 1286 . 20 1 1 A 108 108 GLU HA H 105 4.524 4.561 -0.037 1
1 1291 . 20 1 1 A 108 108 GLU C C 105 175.340 175.900 -0.560 1
1 1292 . 20 1 1 A 108 108 GLU CA C 105 54.564 55.373 -0.809 1
1 1293 . 20 1 1 A 108 108 GLU CB C 105 30.953 30.229 0.724 1
1 1295 . 20 1 1 A 108 108 GLU N N 105 120.222 116.482 3.740 1
1 1296 . 20 1 1 A 109 109 ILE H H 106 8.389 8.598 -0.209 1
1 1297 . 20 1 1 A 109 109 ILE HA H 106 3.853 3.948 -0.095 1
1 1307 . 20 1 1 A 109 109 ILE C C 106 176.324 177.729 -1.405 1
1 1308 . 20 1 1 A 109 109 ILE CA C 106 60.148 64.087 -3.939 1
1 1309 . 20 1 1 A 109 109 ILE CB C 106 38.950 38.264 0.686 1
1 1313 . 20 1 1 A 109 109 ILE N N 106 124.088 125.276 -1.188 1
1 1314 . 20 1 1 A 110 110 GLY H H 107 8.534 8.229 0.305 1
1 1315 . 20 1 1 A 110 110 GLY HA2 H 107 3.744 3.785 -0.041 1
1 1316 . 20 1 1 A 110 110 GLY HA3 H 107 3.705 3.817 -0.112 1
1 1317 . 20 1 1 A 110 110 GLY C C 107 175.021 175.326 -0.305 1
1 1318 . 20 1 1 A 110 110 GLY CA C 107 46.530 46.394 0.136 1
1 1319 . 20 1 1 A 110 110 GLY N N 107 109.224 109.143 0.081 1
1 1320 . 20 1 1 A 111 111 THR H H 108 7.892 7.774 0.118 1
1 1321 . 20 1 1 A 111 111 THR HA H 108 4.255 4.158 0.097 1
1 1326 . 20 1 1 A 111 111 THR C C 108 175.417 175.447 -0.030 1
1 1327 . 20 1 1 A 111 111 THR CA C 108 61.287 64.749 -3.462 1
1 1328 . 20 1 1 A 111 111 THR CB C 108 68.657 68.922 -0.265 1
1 1330 . 20 1 1 A 111 111 THR N N 108 111.278 115.929 -4.651 1
1 1331 . 20 1 1 A 112 112 LEU H H 109 7.950 7.384 0.566 1
1 1332 . 20 1 1 A 112 112 LEU HA H 109 3.887 4.612 -0.725 1
1 1342 . 20 1 1 A 112 112 LEU C C 109 175.715 176.012 -0.297 1
1 1343 . 20 1 1 A 112 112 LEU CA C 109 56.661 54.198 2.463 1
1 1344 . 20 1 1 A 112 112 LEU CB C 109 43.310 43.501 -0.191 1
1 1348 . 20 1 1 A 112 112 LEU N N 109 122.017 114.127 7.890 1
1 1349 . 20 1 1 A 113 113 LEU H H 110 7.003 7.286 -0.283 1
1 1350 . 20 1 1 A 113 113 LEU HA H 110 4.327 4.567 -0.240 1
1 1360 . 20 1 1 A 113 113 LEU C C 110 175.563 173.837 1.726 1
1 1361 . 20 1 1 A 113 113 LEU CA C 110 52.377 54.342 -1.965 1
1 1362 . 20 1 1 A 113 113 LEU CB C 110 44.890 45.281 -0.391 1
1 1366 . 20 1 1 A 113 113 LEU N N 110 113.184 120.004 -6.820 1
1 1367 . 20 1 1 A 114 114 THR H H 111 9.101 8.713 0.388 1
1 1368 . 20 1 1 A 114 114 THR HA H 111 4.079 4.914 -0.835 1
1 1373 . 20 1 1 A 114 114 THR C C 111 173.117 173.905 -0.788 1
1 1374 . 20 1 1 A 114 114 THR CA C 111 62.838 61.990 0.848 1
1 1375 . 20 1 1 A 114 114 THR CB C 111 68.245 70.180 -1.935 1
1 1377 . 20 1 1 A 114 114 THR N N 111 119.602 122.095 -2.493 1
1 1378 . 20 1 1 A 115 115 LEU H H 112 8.461 8.751 -0.290 1
1 1379 . 20 1 1 A 115 115 LEU HA H 112 4.985 5.314 -0.329 1
1 1389 . 20 1 1 A 115 115 LEU C C 112 178.488 177.276 1.212 1
1 1390 . 20 1 1 A 115 115 LEU CA C 112 52.953 53.493 -0.540 1
1 1391 . 20 1 1 A 115 115 LEU CB C 112 43.316 45.279 -1.963 1
1 1395 . 20 1 1 A 115 115 LEU N N 112 129.372 126.849 2.523 1
1 1396 . 20 1 1 A 116 116 VAL H H 113 8.550 9.019 -0.469 1
1 1397 . 20 1 1 A 116 116 VAL HA H 113 4.141 3.968 0.173 1
1 1405 . 20 1 1 A 116 116 VAL C C 113 175.638 177.262 -1.624 1
1 1406 . 20 1 1 A 116 116 VAL CA C 113 61.559 64.701 -3.142 1
1 1407 . 20 1 1 A 116 116 VAL CB C 113 32.128 31.791 0.337 1
1 1410 . 20 1 1 A 116 116 VAL N N 113 117.300 121.479 -4.179 1
1 1411 . 20 1 1 A 117 117 ASP H H 114 8.095 7.947 0.148 1
1 1412 . 20 1 1 A 117 117 ASP HA H 114 4.561 4.536 0.025 1
1 1415 . 20 1 1 A 117 117 ASP C C 114 175.610 176.605 -0.995 1
1 1416 . 20 1 1 A 117 117 ASP CA C 114 53.586 56.659 -3.073 1
1 1417 . 20 1 1 A 117 117 ASP CB C 114 41.131 41.553 -0.422 1
1 1418 . 20 1 1 A 117 117 ASP N N 114 121.410 120.922 0.488 1
1 1419 . 20 1 1 A 118 118 GLN H H 115 8.048 7.850 0.198 1
1 1420 . 20 1 1 A 118 118 GLN HA H 115 4.539 4.477 0.062 1
1 1427 . 20 1 1 A 118 118 GLN CA C 115 53.464 54.398 -0.934 1
1 1428 . 20 1 1 A 118 118 GLN CB C 115 29.143 28.120 1.023 1
1 1430 . 20 1 1 A 118 118 GLN N N 115 120.387 118.432 1.955 1
1 1432 . 20 1 1 A 119 119 PRO HA H 116 4.314 4.400 -0.086 1
1 1439 . 20 1 1 A 119 119 PRO C C 116 176.819 177.150 -0.331 1
1 1440 . 20 1 1 A 119 119 PRO CA C 116 63.073 63.233 -0.160 1
1 1441 . 20 1 1 A 119 119 PRO CB C 116 32.117 31.835 0.282 1
1 1444 . 20 1 1 A 120 120 GLN H H 117 8.404 8.518 -0.114 1
1 1445 . 20 1 1 A 120 120 GLN HA H 117 4.172 4.554 -0.382 1
1 1452 . 20 1 1 A 120 120 GLN C C 117 174.745 175.499 -0.754 1
1 1453 . 20 1 1 A 120 120 GLN CA C 117 55.531 54.954 0.577 1
1 1454 . 20 1 1 A 120 120 GLN CB C 117 29.529 29.997 -0.468 1
1 1456 . 20 1 1 A 120 120 GLN N N 117 121.403 121.648 -0.245 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 112 1.160 1
2 1 1 1 "RMS(OBS, PRED)" CA 116 1.201 1
3 1 1 1 "RMS(OBS, PRED)" CB 107 1.117 1
4 1 1 1 "RMS(OBS, PRED)" H 113 0.600 1
5 1 1 1 "RMS(OBS, PRED)" HA 125 0.379 1
6 1 1 1 "RMS(OBS, PRED)" N 113 3.084 1
7 1 2 1 "RMS(OBS, PRED)" C 112 1.200 1
8 1 2 1 "RMS(OBS, PRED)" CA 116 1.187 1
9 1 2 1 "RMS(OBS, PRED)" CB 107 1.125 1
10 1 2 1 "RMS(OBS, PRED)" H 113 0.611 1
11 1 2 1 "RMS(OBS, PRED)" HA 125 0.394 1
12 1 2 1 "RMS(OBS, PRED)" N 113 2.935 1
13 1 3 1 "RMS(OBS, PRED)" C 112 1.124 1
14 1 3 1 "RMS(OBS, PRED)" CA 116 1.137 1
15 1 3 1 "RMS(OBS, PRED)" CB 107 1.069 1
16 1 3 1 "RMS(OBS, PRED)" H 113 0.612 1
17 1 3 1 "RMS(OBS, PRED)" HA 125 0.374 1
18 1 3 1 "RMS(OBS, PRED)" N 113 2.887 1
19 1 4 1 "RMS(OBS, PRED)" C 112 1.195 1
20 1 4 1 "RMS(OBS, PRED)" CA 116 1.211 1
21 1 4 1 "RMS(OBS, PRED)" CB 107 1.124 1
22 1 4 1 "RMS(OBS, PRED)" H 113 0.597 1
23 1 4 1 "RMS(OBS, PRED)" HA 125 0.375 1
24 1 4 1 "RMS(OBS, PRED)" N 113 3.160 1
25 1 5 1 "RMS(OBS, PRED)" C 112 1.172 1
26 1 5 1 "RMS(OBS, PRED)" CA 116 1.174 1
27 1 5 1 "RMS(OBS, PRED)" CB 107 1.134 1
28 1 5 1 "RMS(OBS, PRED)" H 113 0.599 1
29 1 5 1 "RMS(OBS, PRED)" HA 125 0.386 1
30 1 5 1 "RMS(OBS, PRED)" N 113 3.224 1
31 1 6 1 "RMS(OBS, PRED)" C 112 1.159 1
32 1 6 1 "RMS(OBS, PRED)" CA 116 1.171 1
33 1 6 1 "RMS(OBS, PRED)" CB 107 1.128 1
34 1 6 1 "RMS(OBS, PRED)" H 113 0.609 1
35 1 6 1 "RMS(OBS, PRED)" HA 125 0.397 1
36 1 6 1 "RMS(OBS, PRED)" N 113 3.116 1
37 1 7 1 "RMS(OBS, PRED)" C 112 1.178 1
38 1 7 1 "RMS(OBS, PRED)" CA 116 1.262 1
39 1 7 1 "RMS(OBS, PRED)" CB 107 1.130 1
40 1 7 1 "RMS(OBS, PRED)" H 113 0.608 1
41 1 7 1 "RMS(OBS, PRED)" HA 125 0.382 1
42 1 7 1 "RMS(OBS, PRED)" N 113 2.998 1
43 1 8 1 "RMS(OBS, PRED)" C 112 1.161 1
44 1 8 1 "RMS(OBS, PRED)" CA 116 1.195 1
45 1 8 1 "RMS(OBS, PRED)" CB 107 1.092 1
46 1 8 1 "RMS(OBS, PRED)" H 113 0.627 1
47 1 8 1 "RMS(OBS, PRED)" HA 125 0.374 1
48 1 8 1 "RMS(OBS, PRED)" N 113 2.992 1
49 1 9 1 "RMS(OBS, PRED)" C 112 1.152 1
50 1 9 1 "RMS(OBS, PRED)" CA 116 1.106 1
51 1 9 1 "RMS(OBS, PRED)" CB 107 1.115 1
52 1 9 1 "RMS(OBS, PRED)" H 113 0.632 1
53 1 9 1 "RMS(OBS, PRED)" HA 125 0.379 1
54 1 9 1 "RMS(OBS, PRED)" N 113 2.935 1
55 1 10 1 "RMS(OBS, PRED)" C 112 1.170 1
56 1 10 1 "RMS(OBS, PRED)" CA 116 1.209 1
57 1 10 1 "RMS(OBS, PRED)" CB 107 1.151 1
58 1 10 1 "RMS(OBS, PRED)" H 113 0.621 1
59 1 10 1 "RMS(OBS, PRED)" HA 125 0.381 1
60 1 10 1 "RMS(OBS, PRED)" N 113 3.314 1
61 1 11 1 "RMS(OBS, PRED)" C 112 1.156 1
62 1 11 1 "RMS(OBS, PRED)" CA 116 1.250 1
63 1 11 1 "RMS(OBS, PRED)" CB 107 1.130 1
64 1 11 1 "RMS(OBS, PRED)" H 113 0.628 1
65 1 11 1 "RMS(OBS, PRED)" HA 125 0.380 1
66 1 11 1 "RMS(OBS, PRED)" N 113 2.845 1
67 1 12 1 "RMS(OBS, PRED)" C 112 1.188 1
68 1 12 1 "RMS(OBS, PRED)" CA 116 1.257 1
69 1 12 1 "RMS(OBS, PRED)" CB 107 1.210 1
70 1 12 1 "RMS(OBS, PRED)" H 113 0.631 1
71 1 12 1 "RMS(OBS, PRED)" HA 125 0.395 1
72 1 12 1 "RMS(OBS, PRED)" N 113 3.174 1
73 1 13 1 "RMS(OBS, PRED)" C 112 1.135 1
74 1 13 1 "RMS(OBS, PRED)" CA 116 1.310 1
75 1 13 1 "RMS(OBS, PRED)" CB 107 1.131 1
76 1 13 1 "RMS(OBS, PRED)" H 113 0.618 1
77 1 13 1 "RMS(OBS, PRED)" HA 125 0.397 1
78 1 13 1 "RMS(OBS, PRED)" N 113 3.052 1
79 1 14 1 "RMS(OBS, PRED)" C 112 1.155 1
80 1 14 1 "RMS(OBS, PRED)" CA 116 1.051 1
81 1 14 1 "RMS(OBS, PRED)" CB 107 1.082 1
82 1 14 1 "RMS(OBS, PRED)" H 113 0.607 1
83 1 14 1 "RMS(OBS, PRED)" HA 125 0.383 1
84 1 14 1 "RMS(OBS, PRED)" N 113 2.986 1
85 1 15 1 "RMS(OBS, PRED)" C 112 1.146 1
86 1 15 1 "RMS(OBS, PRED)" CA 116 1.225 1
87 1 15 1 "RMS(OBS, PRED)" CB 107 1.047 1
88 1 15 1 "RMS(OBS, PRED)" H 113 0.596 1
89 1 15 1 "RMS(OBS, PRED)" HA 125 0.401 1
90 1 15 1 "RMS(OBS, PRED)" N 113 3.027 1
91 1 16 1 "RMS(OBS, PRED)" C 112 1.141 1
92 1 16 1 "RMS(OBS, PRED)" CA 116 1.226 1
93 1 16 1 "RMS(OBS, PRED)" CB 107 1.191 1
94 1 16 1 "RMS(OBS, PRED)" H 113 0.631 1
95 1 16 1 "RMS(OBS, PRED)" HA 125 0.386 1
96 1 16 1 "RMS(OBS, PRED)" N 113 3.034 1
97 1 17 1 "RMS(OBS, PRED)" C 112 1.167 1
98 1 17 1 "RMS(OBS, PRED)" CA 116 1.275 1
99 1 17 1 "RMS(OBS, PRED)" CB 107 1.073 1
100 1 17 1 "RMS(OBS, PRED)" H 113 0.636 1
101 1 17 1 "RMS(OBS, PRED)" HA 125 0.389 1
102 1 17 1 "RMS(OBS, PRED)" N 113 2.940 1
103 1 18 1 "RMS(OBS, PRED)" C 112 1.186 1
104 1 18 1 "RMS(OBS, PRED)" CA 116 1.328 1
105 1 18 1 "RMS(OBS, PRED)" CB 107 1.208 1
106 1 18 1 "RMS(OBS, PRED)" H 113 0.629 1
107 1 18 1 "RMS(OBS, PRED)" HA 125 0.411 1
108 1 18 1 "RMS(OBS, PRED)" N 113 3.091 1
109 1 19 1 "RMS(OBS, PRED)" C 112 1.165 1
110 1 19 1 "RMS(OBS, PRED)" CA 116 1.234 1
111 1 19 1 "RMS(OBS, PRED)" CB 107 1.074 1
112 1 19 1 "RMS(OBS, PRED)" H 113 0.611 1
113 1 19 1 "RMS(OBS, PRED)" HA 125 0.386 1
114 1 19 1 "RMS(OBS, PRED)" N 113 2.747 1
115 1 20 1 "RMS(OBS, PRED)" C 112 1.156 1
116 1 20 1 "RMS(OBS, PRED)" CA 116 1.245 1
117 1 20 1 "RMS(OBS, PRED)" CB 107 1.084 1
118 1 20 1 "RMS(OBS, PRED)" H 113 0.599 1
119 1 20 1 "RMS(OBS, PRED)" HA 125 0.377 1
120 1 20 1 "RMS(OBS, PRED)" N 113 2.989 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 14 . 1 1 A 5 5 ARG H H 2 8.281 8.425 -0.144 2
1 15 . 1 1 A 5 5 ARG HA H 2 4.126 4.333 -0.207 2
1 22 . 1 1 A 5 5 ARG C C 2 176.387 175.428 0.959 2
1 23 . 1 1 A 5 5 ARG CA C 2 56.556 56.431 0.125 2
1 24 . 1 1 A 5 5 ARG CB C 2 30.698 29.418 1.280 2
1 27 . 1 1 A 5 5 ARG N N 2 123.269 120.728 2.541 2
1 28 . 1 1 A 6 6 LEU H H 3 8.527 8.246 0.281 2
1 29 . 1 1 A 6 6 LEU HA H 3 4.414 4.961 -0.547 2
1 39 . 1 1 A 6 6 LEU C C 3 178.040 176.045 1.995 2
1 40 . 1 1 A 6 6 LEU CA C 3 54.270 53.162 1.108 2
1 41 . 1 1 A 6 6 LEU CB C 3 43.612 45.099 -1.486 2
1 45 . 1 1 A 6 6 LEU N N 3 125.588 119.087 6.501 2
1 46 . 1 1 A 7 7 LYS H H 4 8.646 8.571 0.075 2
1 47 . 1 1 A 7 7 LYS HA H 4 4.524 4.418 0.105 2
1 56 . 1 1 A 7 7 LYS C C 4 178.029 177.925 0.104 2
1 57 . 1 1 A 7 7 LYS CA C 4 57.051 55.785 1.266 2
1 58 . 1 1 A 7 7 LYS CB C 4 32.877 33.214 -0.337 2
1 62 . 1 1 A 7 7 LYS N N 4 123.765 119.371 4.394 2
1 63 . 1 1 A 8 8 SER H H 5 8.316 8.539 -0.223 2
1 64 . 1 1 A 8 8 SER HA H 5 3.720 3.933 -0.213 2
1 67 . 1 1 A 8 8 SER C C 5 174.858 176.179 -1.321 2
1 68 . 1 1 A 8 8 SER CA C 5 63.553 61.851 1.702 2
1 69 . 1 1 A 8 8 SER CB C 5 62.382 62.652 -0.270 2
1 70 . 1 1 A 8 8 SER N N 5 122.163 115.804 6.359 2
1 71 . 1 1 A 9 9 GLU H H 6 8.913 8.103 0.810 2
1 72 . 1 1 A 9 9 GLU HA H 6 3.401 3.148 0.253 2
1 77 . 1 1 A 9 9 GLU C C 6 177.494 178.386 -0.892 2
1 78 . 1 1 A 9 9 GLU CA C 6 59.824 58.719 1.105 2
1 79 . 1 1 A 9 9 GLU CB C 6 29.780 29.037 0.743 2
1 81 . 1 1 A 9 9 GLU N N 6 118.372 121.618 -3.246 2
1 82 . 1 1 A 10 10 MET H H 7 6.642 7.998 -1.356 2
1 83 . 1 1 A 10 10 MET HA H 7 4.200 4.156 0.044 2
1 91 . 1 1 A 10 10 MET C C 7 178.173 178.225 -0.052 2
1 92 . 1 1 A 10 10 MET CA C 7 57.360 58.263 -0.903 2
1 93 . 1 1 A 10 10 MET CB C 7 32.761 32.191 0.570 2
1 96 . 1 1 A 10 10 MET N N 7 117.318 119.024 -1.706 2
1 97 . 1 1 A 11 11 PHE H H 8 8.432 7.760 0.672 2
1 98 . 1 1 A 11 11 PHE HA H 8 3.718 4.113 -0.395 2
1 105 . 1 1 A 11 11 PHE C C 8 177.603 177.218 0.385 2
1 106 . 1 1 A 11 11 PHE CA C 8 61.845 61.344 0.501 2
1 107 . 1 1 A 11 11 PHE CB C 8 38.595 39.003 -0.408 2
1 112 . 1 1 A 11 11 PHE N N 8 122.099 121.015 1.084 2
1 113 . 1 1 A 12 12 VAL H H 9 8.133 8.040 0.093 2
1 114 . 1 1 A 12 12 VAL HA H 9 3.021 3.680 -0.659 2
1 122 . 1 1 A 12 12 VAL C C 9 176.668 177.951 -1.283 2
1 123 . 1 1 A 12 12 VAL CA C 9 67.353 65.915 1.438 2
1 124 . 1 1 A 12 12 VAL CB C 9 31.238 31.494 -0.256 2
1 127 . 1 1 A 12 12 VAL N N 9 119.317 119.112 0.205 2
1 128 . 1 1 A 13 13 SER H H 10 7.750 7.894 -0.144 2
1 129 . 1 1 A 13 13 SER HA H 10 3.905 4.039 -0.134 2
1 132 . 1 1 A 13 13 SER C C 10 176.947 176.784 0.163 2
1 133 . 1 1 A 13 13 SER CA C 10 61.775 61.755 0.020 2
1 134 . 1 1 A 13 13 SER CB C 10 62.483 62.782 -0.299 2
1 135 . 1 1 A 13 13 SER N N 10 114.115 116.108 -1.993 2
1 136 . 1 1 A 14 14 ALA H H 11 7.776 7.586 0.190 2
1 137 . 1 1 A 14 14 ALA HA H 11 3.860 4.067 -0.207 2
1 141 . 1 1 A 14 14 ALA C C 11 179.154 179.662 -0.508 2
1 142 . 1 1 A 14 14 ALA CA C 11 54.811 54.808 0.003 2
1 143 . 1 1 A 14 14 ALA CB C 11 17.641 18.136 -0.495 2
1 144 . 1 1 A 14 14 ALA N N 11 123.170 123.521 -0.351 2
1 145 . 1 1 A 15 15 LEU H H 12 7.732 7.932 -0.200 2
1 146 . 1 1 A 15 15 LEU HA H 12 3.636 3.840 -0.204 2
1 156 . 1 1 A 15 15 LEU C C 12 177.617 178.776 -1.159 2
1 157 . 1 1 A 15 15 LEU CA C 12 57.790 57.563 0.227 2
1 158 . 1 1 A 15 15 LEU CB C 12 41.352 41.323 0.029 2
1 162 . 1 1 A 15 15 LEU N N 12 121.171 119.361 1.810 2
1 163 . 1 1 A 16 16 ILE H H 13 8.037 7.969 0.068 2
1 164 . 1 1 A 16 16 ILE HA H 13 3.061 3.534 -0.473 2
1 174 . 1 1 A 16 16 ILE C C 13 177.708 178.142 -0.434 2
1 175 . 1 1 A 16 16 ILE CA C 13 65.872 65.126 0.746 2
1 176 . 1 1 A 16 16 ILE CB C 13 37.704 37.598 0.106 2
1 180 . 1 1 A 16 16 ILE N N 13 117.849 120.061 -2.212 2
1 181 . 1 1 A 17 17 ARG H H 14 7.537 7.801 -0.264 2
1 182 . 1 1 A 17 17 ARG HA H 14 3.980 4.124 -0.144 2
1 189 . 1 1 A 17 17 ARG C C 14 179.876 178.951 0.925 2
1 190 . 1 1 A 17 17 ARG CA C 14 59.920 59.234 0.686 2
1 191 . 1 1 A 17 17 ARG CB C 14 29.995 29.593 0.402 2
1 194 . 1 1 A 17 17 ARG N N 14 117.366 120.508 -3.142 2
1 195 . 1 1 A 18 18 ARG H H 15 8.068 7.776 0.292 2
1 196 . 1 1 A 18 18 ARG HA H 15 3.868 4.002 -0.134 2
1 203 . 1 1 A 18 18 ARG C C 15 176.630 178.848 -2.218 2
1 204 . 1 1 A 18 18 ARG CA C 15 59.606 59.349 0.257 2
1 205 . 1 1 A 18 18 ARG CB C 15 30.327 30.244 0.083 2
1 208 . 1 1 A 18 18 ARG N N 15 119.713 119.557 0.156 2
1 209 . 1 1 A 19 19 VAL H H 16 8.259 7.465 0.794 2
1 210 . 1 1 A 19 19 VAL HA H 16 3.296 3.728 -0.432 2
1 218 . 1 1 A 19 19 VAL C C 16 177.306 178.060 -0.754 2
1 219 . 1 1 A 19 19 VAL CA C 16 66.667 65.321 1.346 2
1 220 . 1 1 A 19 19 VAL CB C 16 30.421 31.398 -0.977 2
1 223 . 1 1 A 19 19 VAL N N 16 121.385 116.609 4.776 2
1 224 . 1 1 A 20 20 PHE H H 17 8.014 7.736 0.278 2
1 225 . 1 1 A 20 20 PHE HA H 17 4.222 4.230 -0.008 2
1 233 . 1 1 A 20 20 PHE C C 17 180.973 178.060 2.913 2
1 234 . 1 1 A 20 20 PHE CA C 17 61.988 61.495 0.493 2
1 235 . 1 1 A 20 20 PHE CB C 17 38.553 37.778 0.775 2
1 241 . 1 1 A 20 20 PHE N N 17 118.811 120.440 -1.629 2
1 242 . 1 1 A 21 21 ALA H H 18 8.192 8.073 0.119 2
1 243 . 1 1 A 21 21 ALA HA H 18 4.096 4.123 -0.027 2
1 247 . 1 1 A 21 21 ALA C C 18 178.425 179.364 -0.939 2
1 248 . 1 1 A 21 21 ALA CA C 18 54.716 54.734 -0.018 2
1 249 . 1 1 A 21 21 ALA CB C 18 17.752 18.082 -0.330 2
1 250 . 1 1 A 21 21 ALA N N 18 122.995 121.849 1.146 2
1 251 . 1 1 A 22 22 ALA H H 19 7.256 7.310 -0.054 2
1 252 . 1 1 A 22 22 ALA HA H 19 4.356 4.349 0.007 2
1 256 . 1 1 A 22 22 ALA C C 19 177.665 177.665 0.000 2
1 257 . 1 1 A 22 22 ALA CA C 19 51.629 52.120 -0.491 2
1 258 . 1 1 A 22 22 ALA CB C 19 18.554 19.427 -0.873 2
1 259 . 1 1 A 22 22 ALA N N 19 118.872 117.799 1.073 2
1 260 . 1 1 A 23 23 GLY H H 20 7.774 8.070 -0.296 2
1 261 . 1 1 A 23 23 GLY HA2 H 20 4.207 3.971 0.235 2
1 262 . 1 1 A 23 23 GLY HA3 H 20 3.762 3.997 -0.235 2
1 263 . 1 1 A 23 23 GLY C C 20 174.779 174.744 0.035 2
1 264 . 1 1 A 23 23 GLY CA C 20 45.347 45.368 -0.021 2
1 265 . 1 1 A 23 23 GLY N N 20 106.718 107.116 -0.398 2
1 266 . 1 1 A 24 24 GLY H H 21 7.795 7.928 -0.133 2
1 267 . 1 1 A 24 24 GLY HA2 H 21 4.538 3.965 0.573 2
1 268 . 1 1 A 24 24 GLY HA3 H 21 3.306 4.008 -0.702 2
1 269 . 1 1 A 24 24 GLY C C 21 171.187 172.117 -0.930 2
1 270 . 1 1 A 24 24 GLY CA C 21 43.665 44.239 -0.574 2
1 271 . 1 1 A 24 24 GLY N N 21 108.369 107.922 0.447 2
1 272 . 1 1 A 25 25 PHE H H 22 7.340 8.557 -1.217 2
1 273 . 1 1 A 25 25 PHE HA H 22 3.784 4.425 -0.641 2
1 280 . 1 1 A 25 25 PHE C C 22 172.423 173.560 -1.137 2
1 281 . 1 1 A 25 25 PHE CA C 22 56.434 56.017 0.417 2
1 282 . 1 1 A 25 25 PHE CB C 22 42.819 42.800 0.019 2
1 287 . 1 1 A 25 25 PHE N N 22 117.754 120.402 -2.648 2
1 288 . 1 1 A 26 26 ALA H H 23 5.579 7.632 -2.053 2
1 289 . 1 1 A 26 26 ALA HA H 23 4.943 5.191 -0.248 2
1 293 . 1 1 A 26 26 ALA C C 23 173.842 175.275 -1.433 2
1 294 . 1 1 A 26 26 ALA CA C 23 50.257 51.043 -0.786 2
1 295 . 1 1 A 26 26 ALA CB C 23 25.150 23.542 1.608 2
1 296 . 1 1 A 26 26 ALA N N 23 126.477 127.077 -0.600 2
1 297 . 1 1 A 27 27 ALA H H 24 8.723 8.119 0.604 2
1 298 . 1 1 A 27 27 ALA HA H 24 4.330 4.823 -0.493 2
1 302 . 1 1 A 27 27 ALA C C 24 175.543 175.969 -0.426 2
1 303 . 1 1 A 27 27 ALA CA C 24 51.545 51.831 -0.286 2
1 304 . 1 1 A 27 27 ALA CB C 24 22.974 22.675 0.299 2
1 305 . 1 1 A 27 27 ALA N N 24 118.178 119.838 -1.660 2
1 306 . 1 1 A 28 28 VAL H H 25 8.841 8.994 -0.153 2
1 307 . 1 1 A 28 28 VAL HA H 25 3.972 4.193 -0.221 2
1 315 . 1 1 A 28 28 VAL C C 25 175.547 175.339 0.208 2
1 316 . 1 1 A 28 28 VAL CA C 25 64.153 63.038 1.115 2
1 317 . 1 1 A 28 28 VAL CB C 25 31.951 31.348 0.603 2
1 320 . 1 1 A 28 28 VAL N N 25 120.857 123.738 -2.881 2
1 321 . 1 1 A 29 29 GLU H H 26 8.595 8.963 -0.368 2
1 322 . 1 1 A 29 29 GLU HA H 26 4.275 4.349 -0.074 2
1 327 . 1 1 A 29 29 GLU C C 26 176.177 176.296 -0.119 2
1 328 . 1 1 A 29 29 GLU CA C 26 57.686 58.592 -0.906 2
1 329 . 1 1 A 29 29 GLU CB C 26 30.521 30.639 -0.118 2
1 331 . 1 1 A 29 29 GLU N N 26 132.091 128.265 3.826 2
1 332 . 1 1 A 30 30 LYS H H 27 8.163 7.607 0.556 2
1 333 . 1 1 A 30 30 LYS HA H 27 4.352 4.805 -0.453 2
1 342 . 1 1 A 30 30 LYS C C 27 174.232 174.697 -0.465 2
1 343 . 1 1 A 30 30 LYS CA C 27 55.370 55.076 0.294 2
1 344 . 1 1 A 30 30 LYS CB C 27 36.138 34.997 1.141 2
1 348 . 1 1 A 30 30 LYS N N 27 119.899 119.205 0.694 2
1 349 . 1 1 A 31 31 LYS H H 28 8.603 8.570 0.033 2
1 350 . 1 1 A 31 31 LYS HA H 28 3.268 4.173 -0.905 2
1 359 . 1 1 A 31 31 LYS C C 28 175.170 174.810 0.360 2
1 360 . 1 1 A 31 31 LYS CA C 28 56.089 53.962 2.127 2
1 361 . 1 1 A 31 31 LYS CB C 28 32.386 35.468 -3.082 2
1 365 . 1 1 A 31 31 LYS N N 28 129.067 126.400 2.667 2
1 366 . 1 1 A 32 32 GLY H H 29 3.335 6.796 -3.461 2
1 367 . 1 1 A 32 32 GLY HA2 H 29 3.652 3.967 -0.315 2
1 368 . 1 1 A 32 32 GLY HA3 H 29 2.313 4.019 -1.706 2
1 369 . 1 1 A 32 32 GLY C C 29 172.863 173.146 -0.283 2
1 370 . 1 1 A 32 32 GLY CA C 29 43.344 44.534 -1.190 2
1 371 . 1 1 A 32 32 GLY N N 29 113.639 111.850 1.789 2
1 372 . 1 1 A 33 33 ALA H H 30 8.202 8.182 0.020 2
1 373 . 1 1 A 33 33 ALA HA H 30 4.173 4.486 -0.313 2
1 377 . 1 1 A 33 33 ALA C C 30 181.026 178.575 2.452 2
1 378 . 1 1 A 33 33 ALA CA C 30 52.674 52.158 0.516 2
1 379 . 1 1 A 33 33 ALA CB C 30 19.020 19.358 -0.338 2
1 380 . 1 1 A 33 33 ALA N N 30 121.182 125.249 -4.067 2
1 381 . 1 1 A 34 34 GLU H H 31 9.313 9.173 0.140 2
1 382 . 1 1 A 34 34 GLU HA H 31 4.130 4.257 -0.127 2
1 387 . 1 1 A 34 34 GLU C C 31 177.137 178.645 -1.508 2
1 388 . 1 1 A 34 34 GLU CA C 31 61.214 59.352 1.861 2
1 389 . 1 1 A 34 34 GLU CB C 31 29.947 29.733 0.214 2
1 391 . 1 1 A 34 34 GLU N N 31 126.206 124.739 1.467 2
1 392 . 1 1 A 35 35 ALA H H 32 8.614 8.036 0.578 2
1 393 . 1 1 A 35 35 ALA HA H 32 4.377 4.306 0.071 2
1 397 . 1 1 A 35 35 ALA C C 32 180.260 178.665 1.595 2
1 398 . 1 1 A 35 35 ALA CA C 32 55.118 54.424 0.694 2
1 399 . 1 1 A 35 35 ALA CB C 32 18.192 19.382 -1.190 2
1 400 . 1 1 A 35 35 ALA N N 32 119.251 121.714 -2.463 2
1 401 . 1 1 A 36 36 ALA H H 33 8.467 7.828 0.639 2
1 402 . 1 1 A 36 36 ALA HA H 33 4.612 4.389 0.223 2
1 406 . 1 1 A 36 36 ALA C C 33 177.468 177.675 -0.207 2
1 407 . 1 1 A 36 36 ALA CA C 33 51.190 51.693 -0.503 2
1 408 . 1 1 A 36 36 ALA CB C 33 19.451 19.333 0.118 2
1 409 . 1 1 A 36 36 ALA N N 33 120.927 117.651 3.276 2
1 410 . 1 1 A 37 37 GLY H H 34 7.445 7.936 -0.491 2
1 411 . 1 1 A 37 37 GLY HA2 H 34 4.143 4.156 -0.013 2
1 412 . 1 1 A 37 37 GLY HA3 H 34 4.010 4.270 -0.260 2
1 413 . 1 1 A 37 37 GLY C C 34 174.885 173.406 1.479 2
1 414 . 1 1 A 37 37 GLY CA C 34 46.790 45.236 1.554 2
1 415 . 1 1 A 37 37 GLY N N 34 105.715 106.886 -1.171 2
1 416 . 1 1 A 38 38 ALA H H 35 9.722 8.253 1.469 2
1 417 . 1 1 A 38 38 ALA HA H 35 4.053 4.501 -0.448 2
1 421 . 1 1 A 38 38 ALA CA C 35 52.676 51.740 0.936 2
1 422 . 1 1 A 38 38 ALA CB C 35 20.069 20.186 -0.117 2
1 423 . 1 1 A 38 38 ALA N N 35 131.782 122.134 9.648 2
1 424 . 1 1 A 39 39 ILE H H 36 7.776 8.485 -0.709 2
1 425 . 1 1 A 39 39 ILE HA H 36 4.533 5.001 -0.468 2
1 435 . 1 1 A 39 39 ILE C C 36 172.754 174.757 -2.003 2
1 436 . 1 1 A 39 39 ILE CA C 36 61.429 60.643 0.786 2
1 437 . 1 1 A 39 39 ILE CB C 36 40.275 40.544 -0.270 2
1 441 . 1 1 A 39 39 ILE N N 36 119.692 120.875 -1.183 2
1 442 . 1 1 A 40 40 PHE H H 37 8.513 9.403 -0.890 2
1 443 . 1 1 A 40 40 PHE HA H 37 5.242 5.727 -0.485 2
1 448 . 1 1 A 40 40 PHE C C 37 175.559 174.546 1.013 2
1 449 . 1 1 A 40 40 PHE CA C 37 56.375 56.688 -0.313 2
1 450 . 1 1 A 40 40 PHE CB C 37 41.794 40.688 1.106 2
1 453 . 1 1 A 40 40 PHE N N 37 123.003 125.898 -2.895 2
1 454 . 1 1 A 41 41 VAL H H 38 8.898 9.175 -0.277 2
1 455 . 1 1 A 41 41 VAL HA H 38 4.981 5.006 -0.025 2
1 463 . 1 1 A 41 41 VAL C C 38 174.233 175.391 -1.158 2
1 464 . 1 1 A 41 41 VAL CA C 38 60.287 61.168 -0.881 2
1 465 . 1 1 A 41 41 VAL CB C 38 35.122 34.070 1.052 2
1 468 . 1 1 A 41 41 VAL N N 38 120.239 123.327 -3.088 2
1 469 . 1 1 A 42 42 ARG H H 39 9.399 9.043 0.356 2
1 470 . 1 1 A 42 42 ARG HA H 39 5.094 5.379 -0.285 2
1 478 . 1 1 A 42 42 ARG C C 39 173.198 174.683 -1.485 2
1 479 . 1 1 A 42 42 ARG CA C 39 54.067 55.073 -1.006 2
1 480 . 1 1 A 42 42 ARG CB C 39 33.430 32.274 1.156 2
1 483 . 1 1 A 42 42 ARG N N 39 129.107 125.213 3.894 2
1 485 . 1 1 A 43 43 GLN H H 40 9.402 8.798 0.604 2
1 486 . 1 1 A 43 43 GLN HA H 40 5.371 5.017 0.354 2
1 493 . 1 1 A 43 43 GLN C C 40 174.278 174.838 -0.560 2
1 494 . 1 1 A 43 43 GLN CA C 40 52.778 55.368 -2.590 2
1 495 . 1 1 A 43 43 GLN CB C 40 31.703 30.401 1.302 2
1 497 . 1 1 A 43 43 GLN N N 40 127.936 124.466 3.470 2
1 499 . 1 1 A 44 44 ARG H H 41 8.875 8.827 0.048 2
1 500 . 1 1 A 44 44 ARG HA H 41 4.488 4.924 -0.436 2
1 507 . 1 1 A 44 44 ARG C C 41 175.417 175.278 0.139 2
1 508 . 1 1 A 44 44 ARG CA C 41 56.319 55.181 1.138 2
1 509 . 1 1 A 44 44 ARG CB C 41 31.231 32.223 -0.992 2
1 512 . 1 1 A 44 44 ARG N N 41 127.617 127.946 -0.329 2
1 513 . 1 1 A 45 45 LEU H H 42 8.494 8.797 -0.303 2
1 514 . 1 1 A 45 45 LEU HA H 42 4.480 4.603 -0.123 2
1 524 . 1 1 A 45 45 LEU C C 42 179.893 178.322 1.571 2
1 525 . 1 1 A 45 45 LEU CA C 42 53.972 54.391 -0.419 2
1 526 . 1 1 A 45 45 LEU CB C 42 42.206 42.451 -0.245 2
1 530 . 1 1 A 45 45 LEU N N 42 125.380 127.935 -2.555 2
1 531 . 1 1 A 46 46 ARG H H 43 9.223 8.820 0.403 2
1 532 . 1 1 A 46 46 ARG HA H 43 3.929 4.075 -0.146 2
1 539 . 1 1 A 46 46 ARG C C 43 177.114 177.586 -0.472 2
1 540 . 1 1 A 46 46 ARG CA C 43 58.773 58.386 0.387 2
1 541 . 1 1 A 46 46 ARG CB C 43 29.688 29.827 -0.139 2
1 544 . 1 1 A 46 46 ARG N N 43 121.380 122.429 -1.049 2
1 545 . 1 1 A 47 47 ASP H H 44 7.727 7.924 -0.197 2
1 546 . 1 1 A 47 47 ASP HA H 44 4.373 4.581 -0.208 2
1 549 . 1 1 A 47 47 ASP C C 44 177.125 176.463 0.662 2
1 550 . 1 1 A 47 47 ASP CA C 44 53.256 54.392 -1.136 2
1 551 . 1 1 A 47 47 ASP CB C 44 39.993 41.142 -1.149 2
1 552 . 1 1 A 47 47 ASP N N 44 115.801 118.212 -2.411 2
1 553 . 1 1 A 48 48 GLY H H 45 7.878 7.941 -0.063 2
1 554 . 1 1 A 48 48 GLY HA2 H 45 4.237 3.943 0.294 2
1 555 . 1 1 A 48 48 GLY HA3 H 45 3.531 3.944 -0.413 2
1 556 . 1 1 A 48 48 GLY C C 45 175.041 174.181 0.860 2
1 557 . 1 1 A 48 48 GLY CA C 45 45.289 45.397 -0.108 2
1 558 . 1 1 A 48 48 GLY N N 45 108.005 107.438 0.567 2
1 559 . 1 1 A 49 49 ARG H H 46 7.696 7.821 -0.125 2
1 560 . 1 1 A 49 49 ARG HA H 46 4.309 4.669 -0.360 2
1 567 . 1 1 A 49 49 ARG C C 46 174.199 175.138 -0.939 2
1 568 . 1 1 A 49 49 ARG CA C 46 55.909 55.142 0.767 2
1 569 . 1 1 A 49 49 ARG CB C 46 31.226 32.416 -1.190 2
1 572 . 1 1 A 49 49 ARG N N 46 120.601 120.060 0.541 2
1 573 . 1 1 A 50 50 GLU H H 47 8.885 8.630 0.255 2
1 574 . 1 1 A 50 50 GLU HA H 47 5.381 5.512 -0.131 2
1 579 . 1 1 A 50 50 GLU C C 47 175.590 175.146 0.444 2
1 580 . 1 1 A 50 50 GLU CA C 47 55.057 54.776 0.281 2
1 581 . 1 1 A 50 50 GLU CB C 47 35.650 34.246 1.404 2
1 583 . 1 1 A 50 50 GLU N N 47 116.439 118.896 -2.457 2
1 584 . 1 1 A 51 51 ASN H H 48 8.683 8.813 -0.130 2
1 585 . 1 1 A 51 51 ASN HA H 48 5.153 5.410 -0.257 2
1 590 . 1 1 A 51 51 ASN C C 48 173.562 173.704 -0.142 2
1 591 . 1 1 A 51 51 ASN CA C 48 50.361 51.810 -1.449 2
1 592 . 1 1 A 51 51 ASN CB C 48 41.823 41.978 -0.155 2
1 593 . 1 1 A 51 51 ASN N N 48 114.752 119.286 -4.534 2
1 595 . 1 1 A 52 52 LEU H H 49 8.847 8.536 0.311 2
1 596 . 1 1 A 52 52 LEU HA H 49 5.274 5.043 0.231 2
1 606 . 1 1 A 52 52 LEU C C 49 174.213 173.743 0.470 2
1 607 . 1 1 A 52 52 LEU CA C 49 52.889 53.448 -0.559 2
1 608 . 1 1 A 52 52 LEU CB C 49 46.300 45.898 0.402 2
1 612 . 1 1 A 52 52 LEU N N 49 120.365 123.064 -2.700 2
1 613 . 1 1 A 53 53 TYR H H 50 9.641 9.029 0.612 2
1 614 . 1 1 A 53 53 TYR HA H 50 5.519 5.699 -0.180 2
1 621 . 1 1 A 53 53 TYR C C 50 175.473 175.460 0.013 2
1 622 . 1 1 A 53 53 TYR CA C 50 55.928 55.666 0.262 2
1 623 . 1 1 A 53 53 TYR CB C 50 40.076 42.873 -2.797 2
1 628 . 1 1 A 53 53 TYR N N 50 127.507 124.435 3.072 2
1 629 . 1 1 A 54 54 GLY H H 51 8.893 8.662 0.231 2
1 630 . 1 1 A 54 54 GLY HA2 H 51 4.687 3.555 1.132 2
1 631 . 1 1 A 54 54 GLY HA3 H 51 3.127 3.791 -0.664 2
1 632 . 1 1 A 54 54 GLY CA C 51 44.040 44.183 -0.143 2
1 633 . 1 1 A 54 54 GLY N N 51 108.518 109.731 -1.213 2
1 634 . 1 1 A 55 55 PRO HA H 52 3.849 3.729 0.120 2
1 641 . 1 1 A 55 55 PRO C C 52 176.695 176.560 0.135 2
1 642 . 1 1 A 55 55 PRO CA C 52 63.187 61.963 1.224 2
1 643 . 1 1 A 55 55 PRO CB C 52 32.096 31.272 0.824 2
1 646 . 1 1 A 56 56 ALA H H 53 7.675 7.874 -0.199 2
1 647 . 1 1 A 56 56 ALA HA H 53 4.242 4.610 -0.368 2
1 651 . 1 1 A 56 56 ALA CA C 53 49.506 50.461 -0.955 2
1 652 . 1 1 A 56 56 ALA CB C 53 18.096 17.930 0.166 2
1 653 . 1 1 A 56 56 ALA N N 53 126.695 124.642 2.053 2
1 654 . 1 1 A 57 57 PRO HA H 54 4.186 4.623 -0.437 2
1 661 . 1 1 A 57 57 PRO C C 54 179.368 176.437 2.931 2
1 662 . 1 1 A 57 57 PRO CA C 54 63.116 62.626 0.490 2
1 663 . 1 1 A 57 57 PRO CB C 54 31.747 30.777 0.970 2
1 666 . 1 1 A 58 58 GLN H H 55 8.278 8.383 -0.105 2
1 667 . 1 1 A 58 58 GLN HA H 55 4.083 4.373 -0.290 2
1 674 . 1 1 A 58 58 GLN C C 55 175.368 175.584 -0.216 2
1 675 . 1 1 A 58 58 GLN CA C 55 55.635 55.784 -0.149 2
1 676 . 1 1 A 58 58 GLN CB C 55 29.927 29.512 0.415 2
1 678 . 1 1 A 58 58 GLN N N 55 121.313 121.455 -0.142 2
1 680 . 1 1 A 59 59 SER H H 56 8.182 8.661 -0.479 2
1 681 . 1 1 A 59 59 SER HA H 56 4.246 4.491 -0.245 2
1 684 . 1 1 A 59 59 SER C C 56 174.075 173.868 0.207 2
1 685 . 1 1 A 59 59 SER CA C 56 57.667 57.783 -0.116 2
1 686 . 1 1 A 59 59 SER CB C 56 63.751 62.227 1.524 2
1 687 . 1 1 A 59 59 SER N N 56 117.615 120.088 -2.473 2
1 688 . 1 1 A 60 60 PHE H H 57 8.100 7.948 0.152 2
1 689 . 1 1 A 60 60 PHE HA H 57 4.493 5.194 -0.701 2
1 696 . 1 1 A 60 60 PHE C C 57 175.439 174.242 1.197 2
1 697 . 1 1 A 60 60 PHE CA C 57 57.622 55.722 1.900 2
1 698 . 1 1 A 60 60 PHE CB C 57 39.519 40.856 -1.337 2
1 703 . 1 1 A 60 60 PHE N N 57 121.890 121.639 0.251 2
1 704 . 1 1 A 61 61 ALA H H 58 8.234 8.616 -0.382 2
1 705 . 1 1 A 61 61 ALA HA H 58 4.165 4.751 -0.586 2
1 709 . 1 1 A 61 61 ALA C C 58 179.286 177.246 2.040 2
1 710 . 1 1 A 61 61 ALA CA C 58 52.471 50.753 1.718 2
1 711 . 1 1 A 61 61 ALA CB C 58 19.444 20.351 -0.907 2
1 712 . 1 1 A 61 61 ALA N N 58 124.383 124.310 0.073 2
1 713 . 1 1 A 62 62 ASP H H 59 8.017 9.368 -1.351 2
1 714 . 1 1 A 62 62 ASP HA H 59 4.412 4.386 0.026 2
1 717 . 1 1 A 62 62 ASP C C 59 176.073 174.815 1.258 2
1 718 . 1 1 A 62 62 ASP CA C 59 54.360 55.260 -0.900 2
1 719 . 1 1 A 62 62 ASP CB C 59 41.213 39.810 1.403 2
1 720 . 1 1 A 62 62 ASP N N 59 118.579 124.554 -5.975 2
1 721 . 1 1 A 63 63 ASP H H 60 8.096 8.659 -0.563 2
1 722 . 1 1 A 63 63 ASP HA H 60 4.346 4.203 0.143 2
1 725 . 1 1 A 63 63 ASP C C 60 176.619 175.799 0.820 2
1 726 . 1 1 A 63 63 ASP CA C 60 54.714 55.507 -0.793 2
1 727 . 1 1 A 63 63 ASP CB C 60 40.801 39.263 1.538 2
1 728 . 1 1 A 63 63 ASP N N 60 119.530 112.349 7.181 2
1 729 . 1 1 A 64 64 GLU H H 61 8.109 7.951 0.158 2
1 730 . 1 1 A 64 64 GLU HA H 61 4.012 4.106 -0.093 2
1 735 . 1 1 A 64 64 GLU C C 61 176.652 178.666 -2.014 2
1 736 . 1 1 A 64 64 GLU CA C 61 57.301 59.138 -1.837 2
1 737 . 1 1 A 64 64 GLU CB C 61 30.107 29.626 0.481 2
1 739 . 1 1 A 64 64 GLU N N 61 120.050 118.709 1.341 2
1 740 . 1 1 A 65 65 ASP H H 62 8.062 8.354 -0.292 2
1 741 . 1 1 A 65 65 ASP HA H 62 4.369 4.431 -0.062 2
1 744 . 1 1 A 65 65 ASP C C 62 177.458 178.413 -0.955 2
1 745 . 1 1 A 65 65 ASP CA C 62 54.645 56.309 -1.664 2
1 746 . 1 1 A 65 65 ASP CB C 62 40.896 40.726 0.170 2
1 747 . 1 1 A 65 65 ASP N N 62 120.211 119.863 0.348 2
1 748 . 1 1 A 66 66 ILE H H 63 7.805 7.561 0.244 2
1 749 . 1 1 A 66 66 ILE HA H 63 3.708 3.756 -0.048 2
1 759 . 1 1 A 66 66 ILE C C 63 176.802 177.480 -0.678 2
1 760 . 1 1 A 66 66 ILE CA C 63 62.754 64.630 -1.876 2
1 761 . 1 1 A 66 66 ILE CB C 63 38.230 37.915 0.315 2
1 765 . 1 1 A 66 66 ILE N N 63 121.259 120.257 1.002 2
1 766 . 1 1 A 67 67 MET H H 64 7.950 7.751 0.199 2
1 767 . 1 1 A 67 67 MET HA H 64 4.229 4.574 -0.345 2
1 775 . 1 1 A 67 67 MET C C 64 176.724 177.086 -0.362 2
1 776 . 1 1 A 67 67 MET CA C 64 55.944 55.393 0.551 2
1 777 . 1 1 A 67 67 MET CB C 64 31.826 33.880 -2.054 2
1 780 . 1 1 A 67 67 MET N N 64 118.533 117.002 1.531 2
1 781 . 1 1 A 68 68 ARG H H 65 7.604 7.803 -0.199 2
1 782 . 1 1 A 68 68 ARG HA H 65 4.197 4.381 -0.185 2
1 789 . 1 1 A 68 68 ARG C C 65 175.530 175.773 -0.243 2
1 790 . 1 1 A 68 68 ARG CA C 65 56.028 56.450 -0.422 2
1 791 . 1 1 A 68 68 ARG CB C 65 30.760 31.372 -0.612 2
1 794 . 1 1 A 68 68 ARG N N 65 118.706 117.485 1.221 2
1 795 . 1 1 A 69 69 ALA H H 66 7.634 7.562 0.072 2
1 796 . 1 1 A 69 69 ALA HA H 66 4.254 4.793 -0.539 2
1 800 . 1 1 A 69 69 ALA C C 66 176.846 175.676 1.170 2
1 801 . 1 1 A 69 69 ALA CA C 66 51.905 50.863 1.042 2
1 802 . 1 1 A 69 69 ALA CB C 66 20.023 22.924 -2.901 2
1 803 . 1 1 A 69 69 ALA N N 66 123.528 119.903 3.625 2
1 804 . 1 1 A 70 70 GLU H H 67 8.192 8.540 -0.348 2
1 805 . 1 1 A 70 70 GLU HA H 67 4.228 4.455 -0.227 2
1 810 . 1 1 A 70 70 GLU C C 67 176.333 176.206 0.127 2
1 811 . 1 1 A 70 70 GLU CA C 67 55.928 56.119 -0.191 2
1 812 . 1 1 A 70 70 GLU CB C 67 30.769 30.421 0.348 2
1 814 . 1 1 A 70 70 GLU N N 67 120.599 120.845 -0.246 2
1 815 . 1 1 A 71 71 ARG H H 68 8.674 8.350 0.324 2
1 816 . 1 1 A 71 71 ARG HA H 68 3.696 4.331 -0.635 2
1 823 . 1 1 A 71 71 ARG C C 68 175.422 175.248 0.174 2
1 824 . 1 1 A 71 71 ARG CA C 68 56.964 56.102 0.862 2
1 825 . 1 1 A 71 71 ARG CB C 68 30.886 30.393 0.493 2
1 828 . 1 1 A 71 71 ARG N N 68 123.533 123.029 0.504 2
1 829 . 1 1 A 72 72 ARG H H 69 7.660 8.671 -1.011 2
1 830 . 1 1 A 72 72 ARG HA H 69 4.642 4.784 -0.142 2
1 837 . 1 1 A 72 72 ARG C C 69 175.051 175.730 -0.679 2
1 838 . 1 1 A 72 72 ARG CA C 69 54.297 55.434 -1.137 2
1 839 . 1 1 A 72 72 ARG CB C 69 33.555 31.830 1.725 2
1 842 . 1 1 A 72 72 ARG N N 69 120.057 124.488 -4.431 2
1 843 . 1 1 A 73 73 PHE H H 70 8.714 8.776 -0.062 2
1 844 . 1 1 A 73 73 PHE HA H 70 5.020 5.017 0.003 2
1 852 . 1 1 A 73 73 PHE C C 70 173.159 174.711 -1.552 2
1 853 . 1 1 A 73 73 PHE CA C 70 57.359 57.088 0.271 2
1 854 . 1 1 A 73 73 PHE CB C 70 43.426 42.386 1.040 2
1 860 . 1 1 A 73 73 PHE N N 70 119.519 123.044 -3.525 2
1 861 . 1 1 A 74 74 GLU H H 71 9.404 9.174 0.230 2
1 862 . 1 1 A 74 74 GLU HA H 71 4.996 5.078 -0.082 2
1 867 . 1 1 A 74 74 GLU C C 71 175.559 174.869 0.691 2
1 868 . 1 1 A 74 74 GLU CA C 71 52.975 54.708 -1.733 2
1 869 . 1 1 A 74 74 GLU CB C 71 33.399 33.642 -0.243 2
1 871 . 1 1 A 74 74 GLU N N 71 117.679 118.291 -0.612 2
1 872 . 1 1 A 75 75 THR H H 72 9.801 9.075 0.726 2
1 873 . 1 1 A 75 75 THR HA H 72 4.108 4.743 -0.635 2
1 878 . 1 1 A 75 75 THR C C 72 175.065 173.994 1.071 2
1 879 . 1 1 A 75 75 THR CA C 72 64.296 62.645 1.651 2
1 880 . 1 1 A 75 75 THR CB C 72 67.635 68.707 -1.072 2
1 882 . 1 1 A 75 75 THR N N 72 122.320 118.344 3.975 2
1 883 . 1 1 A 76 76 ARG H H 73 9.150 8.942 0.208 2
1 884 . 1 1 A 76 76 ARG HA H 73 4.283 4.309 -0.026 2
1 892 . 1 1 A 76 76 ARG C C 73 176.574 176.632 -0.058 2
1 893 . 1 1 A 76 76 ARG CA C 73 55.858 58.261 -2.403 2
1 894 . 1 1 A 76 76 ARG CB C 73 30.930 30.996 -0.066 2
1 897 . 1 1 A 76 76 ARG N N 73 127.709 128.068 -0.359 2
1 899 . 1 1 A 77 77 LEU H H 74 7.520 7.408 0.112 2
1 900 . 1 1 A 77 77 LEU HA H 74 4.480 4.910 -0.430 2
1 910 . 1 1 A 77 77 LEU C C 74 174.509 175.292 -0.783 2
1 911 . 1 1 A 77 77 LEU CA C 74 54.222 53.194 1.028 2
1 912 . 1 1 A 77 77 LEU CB C 74 47.315 46.024 1.291 2
1 916 . 1 1 A 77 77 LEU N N 74 117.021 118.129 -1.108 2
1 917 . 1 1 A 78 78 ALA H H 75 8.600 8.429 0.171 2
1 918 . 1 1 A 78 78 ALA HA H 75 4.999 4.791 0.208 2
1 922 . 1 1 A 78 78 ALA C C 75 176.343 177.176 -0.833 2
1 923 . 1 1 A 78 78 ALA CA C 75 50.324 51.647 -1.323 2
1 924 . 1 1 A 78 78 ALA CB C 75 21.074 22.130 -1.056 2
1 925 . 1 1 A 78 78 ALA N N 75 124.663 122.591 2.072 2
1 926 . 1 1 A 79 79 GLY H H 76 8.730 8.690 0.040 2
1 927 . 1 1 A 79 79 GLY HA2 H 76 3.706 3.844 -0.138 2
1 928 . 1 1 A 79 79 GLY HA3 H 76 3.306 3.845 -0.539 2
1 929 . 1 1 A 79 79 GLY C C 76 175.173 174.001 1.172 2
1 930 . 1 1 A 79 79 GLY CA C 76 47.520 46.580 0.940 2
1 931 . 1 1 A 79 79 GLY N N 76 114.411 111.273 3.138 2
1 932 . 1 1 A 80 80 VAL H H 77 8.380 7.767 0.613 2
1 933 . 1 1 A 80 80 VAL HA H 77 4.643 4.596 0.047 2
1 941 . 1 1 A 80 80 VAL C C 77 175.208 175.014 0.194 2
1 942 . 1 1 A 80 80 VAL CA C 77 59.289 59.888 -0.599 2
1 943 . 1 1 A 80 80 VAL CB C 77 34.226 34.170 0.056 2
1 946 . 1 1 A 80 80 VAL N N 77 112.611 116.875 -4.264 2
1 947 . 1 1 A 81 81 GLU H H 78 8.415 8.446 -0.031 2
1 948 . 1 1 A 81 81 GLU HA H 78 4.451 4.668 -0.217 2
1 953 . 1 1 A 81 81 GLU C C 78 178.955 177.929 1.026 2
1 954 . 1 1 A 81 81 GLU CA C 78 55.631 54.591 1.040 2
1 955 . 1 1 A 81 81 GLU CB C 78 30.535 31.004 -0.469 2
1 957 . 1 1 A 81 81 GLU N N 78 117.186 120.209 -3.023 2
1 958 . 1 1 A 82 82 GLY H H 79 8.834 8.798 0.036 2
1 959 . 1 1 A 82 82 GLY HA2 H 79 3.810 3.853 -0.043 2
1 960 . 1 1 A 82 82 GLY HA3 H 79 3.518 3.854 -0.336 2
1 961 . 1 1 A 82 82 GLY C C 79 176.446 175.709 0.737 2
1 962 . 1 1 A 82 82 GLY CA C 79 47.629 47.088 0.541 2
1 963 . 1 1 A 82 82 GLY N N 79 109.312 108.052 1.260 2
1 964 . 1 1 A 83 83 GLU H H 80 8.747 8.178 0.569 2
1 965 . 1 1 A 83 83 GLU HA H 80 3.972 4.054 -0.082 2
1 970 . 1 1 A 83 83 GLU C C 80 179.046 179.147 -0.101 2
1 971 . 1 1 A 83 83 GLU CA C 80 59.403 59.242 0.161 2
1 972 . 1 1 A 83 83 GLU CB C 80 29.005 29.307 -0.302 2
1 974 . 1 1 A 83 83 GLU N N 80 119.416 121.433 -2.017 2
1 975 . 1 1 A 84 84 GLU H H 81 7.588 7.902 -0.314 2
1 976 . 1 1 A 84 84 GLU HA H 81 4.003 4.069 -0.066 2
1 981 . 1 1 A 84 84 GLU C C 81 179.682 179.404 0.278 2
1 982 . 1 1 A 84 84 GLU CA C 81 59.213 59.197 0.016 2
1 983 . 1 1 A 84 84 GLU CB C 81 29.473 29.525 -0.052 2
1 985 . 1 1 A 84 84 GLU N N 81 120.110 119.277 0.833 2
1 986 . 1 1 A 85 85 ILE H H 82 6.936 7.860 -0.924 2
1 987 . 1 1 A 85 85 ILE HA H 82 3.356 3.583 -0.228 2
1 997 . 1 1 A 85 85 ILE C C 82 177.308 177.879 -0.571 2
1 998 . 1 1 A 85 85 ILE CA C 82 64.055 65.863 -1.808 2
1 999 . 1 1 A 85 85 ILE CB C 82 36.836 38.220 -1.384 2
1 1003 . 1 1 A 85 85 ILE N N 82 120.268 121.506 -1.238 2
1 1004 . 1 1 A 86 86 ALA H H 83 8.292 8.350 -0.058 2
1 1005 . 1 1 A 86 86 ALA HA H 83 3.787 4.006 -0.219 2
1 1009 . 1 1 A 86 86 ALA C C 83 180.345 179.782 0.563 2
1 1010 . 1 1 A 86 86 ALA CA C 83 55.103 55.141 -0.038 2
1 1011 . 1 1 A 86 86 ALA CB C 83 17.928 18.202 -0.274 2
1 1012 . 1 1 A 86 86 ALA N N 83 121.052 121.446 -0.394 2
1 1013 . 1 1 A 87 87 ALA H H 84 7.516 7.790 -0.274 2
1 1014 . 1 1 A 87 87 ALA HA H 84 4.006 4.105 -0.099 2
1 1018 . 1 1 A 87 87 ALA C C 84 180.272 179.333 0.939 2
1 1019 . 1 1 A 87 87 ALA CA C 84 54.765 55.047 -0.282 2
1 1020 . 1 1 A 87 87 ALA CB C 84 17.949 18.251 -0.302 2
1 1021 . 1 1 A 87 87 ALA N N 84 119.052 120.264 -1.212 2
1 1022 . 1 1 A 88 88 LEU H H 85 7.285 7.518 -0.233 2
1 1023 . 1 1 A 88 88 LEU HA H 85 4.042 4.149 -0.107 2
1 1033 . 1 1 A 88 88 LEU C C 85 174.921 178.664 -3.743 2
1 1034 . 1 1 A 88 88 LEU CA C 85 58.290 57.208 1.082 2
1 1035 . 1 1 A 88 88 LEU CB C 85 41.610 42.242 -0.632 2
1 1039 . 1 1 A 88 88 LEU N N 85 121.211 119.309 1.902 2
1 1040 . 1 1 A 89 89 LEU H H 86 8.472 8.192 0.280 2
1 1041 . 1 1 A 89 89 LEU HA H 86 3.486 3.787 -0.301 2
1 1051 . 1 1 A 89 89 LEU C C 86 178.855 179.569 -0.714 2
1 1052 . 1 1 A 89 89 LEU CA C 86 57.476 57.326 0.150 2
1 1053 . 1 1 A 89 89 LEU CB C 86 41.478 41.149 0.329 2
1 1057 . 1 1 A 89 89 LEU N N 86 118.740 118.363 0.377 2
1 1058 . 1 1 A 90 90 GLU H H 87 7.926 8.515 -0.589 2
1 1059 . 1 1 A 90 90 GLU HA H 87 3.726 3.966 -0.239 2
1 1064 . 1 1 A 90 90 GLU C C 87 178.738 178.772 -0.034 2
1 1065 . 1 1 A 90 90 GLU CA C 87 59.511 59.094 0.417 2
1 1066 . 1 1 A 90 90 GLU CB C 87 28.855 29.059 -0.204 2
1 1068 . 1 1 A 90 90 GLU N N 87 119.669 118.845 0.824 2
1 1069 . 1 1 A 91 91 ARG H H 88 7.069 7.762 -0.693 2
1 1070 . 1 1 A 91 91 ARG HA H 88 3.762 4.151 -0.389 2
1 1077 . 1 1 A 91 91 ARG C C 88 178.920 179.081 -0.161 2
1 1078 . 1 1 A 91 91 ARG CA C 88 59.544 59.428 0.116 2
1 1079 . 1 1 A 91 91 ARG CB C 88 29.723 30.287 -0.564 2
1 1082 . 1 1 A 91 91 ARG N N 88 119.088 119.418 -0.330 2
1 1083 . 1 1 A 92 92 GLU H H 89 8.170 8.198 -0.028 2
1 1084 . 1 1 A 92 92 GLU HA H 89 4.021 4.180 -0.159 2
1 1089 . 1 1 A 92 92 GLU C C 89 180.250 179.658 0.592 2
1 1090 . 1 1 A 92 92 GLU CA C 89 58.661 58.823 -0.162 2
1 1091 . 1 1 A 92 92 GLU CB C 89 28.073 29.038 -0.965 2
1 1093 . 1 1 A 92 92 GLU N N 89 117.768 119.536 -1.768 2
1 1094 . 1 1 A 93 93 ARG H H 90 8.355 7.926 0.429 2
1 1095 . 1 1 A 93 93 ARG HA H 90 4.003 4.256 -0.253 2
1 1102 . 1 1 A 93 93 ARG C C 90 177.592 178.556 -0.964 2
1 1103 . 1 1 A 93 93 ARG CA C 90 57.744 58.929 -1.185 2
1 1104 . 1 1 A 93 93 ARG CB C 90 30.325 29.804 0.521 2
1 1107 . 1 1 A 93 93 ARG N N 90 119.179 118.911 0.268 2
1 1108 . 1 1 A 94 94 ARG H H 91 7.232 7.575 -0.343 2
1 1109 . 1 1 A 94 94 ARG HA H 91 3.788 3.916 -0.128 2
1 1116 . 1 1 A 94 94 ARG C C 91 177.986 178.625 -0.639 2
1 1117 . 1 1 A 94 94 ARG CA C 91 58.462 58.873 -0.411 2
1 1118 . 1 1 A 94 94 ARG CB C 91 29.565 29.624 -0.059 2
1 1121 . 1 1 A 94 94 ARG N N 91 118.441 119.958 -1.517 2
1 1122 . 1 1 A 95 95 PHE H H 92 7.048 7.610 -0.562 2
1 1123 . 1 1 A 95 95 PHE HA H 92 4.474 4.356 0.118 2
1 1128 . 1 1 A 95 95 PHE C C 92 175.728 175.663 0.065 2
1 1129 . 1 1 A 95 95 PHE CA C 92 58.210 59.689 -1.479 2
1 1130 . 1 1 A 95 95 PHE CB C 92 39.724 39.890 -0.166 2
1 1133 . 1 1 A 95 95 PHE N N 92 115.951 117.244 -1.293 2
1 1134 . 1 1 A 96 96 ASP H H 93 7.793 8.136 -0.343 2
1 1135 . 1 1 A 96 96 ASP HA H 93 4.703 4.908 -0.205 2
1 1138 . 1 1 A 96 96 ASP C C 93 179.474 175.935 3.539 2
1 1139 . 1 1 A 96 96 ASP CA C 93 53.103 53.313 -0.210 2
1 1140 . 1 1 A 96 96 ASP CB C 93 41.634 41.977 -0.343 2
1 1141 . 1 1 A 96 96 ASP N N 93 119.328 118.308 1.019 2
1 1142 . 1 1 A 97 97 SER H H 94 8.490 8.943 -0.453 2
1 1143 . 1 1 A 97 97 SER HA H 94 4.204 4.378 -0.174 2
1 1146 . 1 1 A 97 97 SER C C 94 175.549 174.980 0.569 2
1 1147 . 1 1 A 97 97 SER CA C 94 60.047 59.965 0.082 2
1 1148 . 1 1 A 97 97 SER CB C 94 63.408 62.924 0.484 2
1 1149 . 1 1 A 97 97 SER N N 94 118.740 120.588 -1.848 2
1 1150 . 1 1 A 98 98 ASP H H 95 8.229 8.093 0.136 2
1 1151 . 1 1 A 98 98 ASP HA H 95 4.684 4.635 0.049 2
1 1154 . 1 1 A 98 98 ASP C C 95 175.547 176.136 -0.589 2
1 1155 . 1 1 A 98 98 ASP CA C 95 54.380 54.580 -0.200 2
1 1156 . 1 1 A 98 98 ASP CB C 95 42.267 40.510 1.757 2
1 1157 . 1 1 A 98 98 ASP N N 95 121.306 118.679 2.627 2
1 1158 . 1 1 A 99 99 LEU H H 96 6.613 7.362 -0.749 2
1 1159 . 1 1 A 99 99 LEU HA H 96 4.801 5.130 -0.329 2
1 1169 . 1 1 A 99 99 LEU C C 96 176.224 176.274 -0.050 2
1 1170 . 1 1 A 99 99 LEU CA C 96 55.691 53.983 1.708 2
1 1171 . 1 1 A 99 99 LEU CB C 96 42.272 43.509 -1.237 2
1 1175 . 1 1 A 99 99 LEU N N 96 117.774 117.258 0.516 2
1 1176 . 1 1 A 100 100 TRP H H 97 9.750 9.384 0.366 2
1 1177 . 1 1 A 100 100 TRP HA H 97 4.757 5.482 -0.725 2
1 1186 . 1 1 A 100 100 TRP C C 97 176.737 175.421 1.316 2
1 1187 . 1 1 A 100 100 TRP CA C 97 55.634 55.590 0.044 2
1 1188 . 1 1 A 100 100 TRP CB C 97 31.794 32.077 -0.283 2
1 1194 . 1 1 A 100 100 TRP N N 97 120.649 120.680 -0.031 2
1 1196 . 1 1 A 101 101 VAL H H 98 9.096 8.825 0.271 2
1 1197 . 1 1 A 101 101 VAL HA H 98 5.018 5.312 -0.294 2
1 1205 . 1 1 A 101 101 VAL C C 98 175.816 175.163 0.653 2
1 1206 . 1 1 A 101 101 VAL CA C 98 61.998 61.826 0.172 2
1 1207 . 1 1 A 101 101 VAL CB C 98 34.180 33.346 0.834 2
1 1210 . 1 1 A 101 101 VAL N N 98 117.960 123.060 -5.100 2
1 1211 . 1 1 A 102 102 VAL H H 99 9.113 9.038 0.075 2
1 1212 . 1 1 A 102 102 VAL HA H 99 4.546 4.810 -0.264 2
1 1220 . 1 1 A 102 102 VAL C C 99 173.388 174.883 -1.495 2
1 1221 . 1 1 A 102 102 VAL CA C 99 60.987 61.259 -0.272 2
1 1222 . 1 1 A 102 102 VAL CB C 99 34.654 34.392 0.262 2
1 1225 . 1 1 A 102 102 VAL N N 99 129.775 128.151 1.624 2
1 1226 . 1 1 A 103 103 GLU H H 100 9.226 8.717 0.509 2
1 1227 . 1 1 A 103 103 GLU HA H 100 5.376 4.771 0.605 2
1 1232 . 1 1 A 103 103 GLU C C 100 175.058 176.187 -1.129 2
1 1233 . 1 1 A 103 103 GLU CA C 100 54.158 55.906 -1.748 2
1 1234 . 1 1 A 103 103 GLU CB C 100 31.835 30.265 1.570 2
1 1236 . 1 1 A 103 103 GLU N N 100 128.249 127.117 1.132 2
1 1237 . 1 1 A 104 104 ILE H H 101 9.141 8.969 0.172 2
1 1238 . 1 1 A 104 104 ILE HA H 101 5.021 5.177 -0.156 2
1 1248 . 1 1 A 104 104 ILE C C 101 173.727 174.271 -0.544 2
1 1249 . 1 1 A 104 104 ILE CA C 101 59.226 59.283 -0.057 2
1 1250 . 1 1 A 104 104 ILE CB C 101 42.192 40.438 1.754 2
1 1254 . 1 1 A 104 104 ILE N N 101 118.638 120.995 -2.357 2
1 1255 . 1 1 A 105 105 GLU H H 102 9.018 9.025 -0.007 2
1 1256 . 1 1 A 105 105 GLU HA H 102 4.800 5.131 -0.331 2
1 1261 . 1 1 A 105 105 GLU C C 102 174.832 175.242 -0.410 2
1 1262 . 1 1 A 105 105 GLU CA C 102 55.362 55.237 0.125 2
1 1263 . 1 1 A 105 105 GLU CB C 102 31.160 31.785 -0.625 2
1 1265 . 1 1 A 105 105 GLU N N 102 125.842 124.047 1.795 2
1 1266 . 1 1 A 106 106 THR H H 103 7.678 8.345 -0.667 2
1 1267 . 1 1 A 106 106 THR HA H 103 4.424 4.876 -0.452 2
1 1272 . 1 1 A 106 106 THR C C 103 172.175 173.017 -0.842 2
1 1273 . 1 1 A 106 106 THR CA C 103 60.772 60.429 0.343 2
1 1274 . 1 1 A 106 106 THR CB C 103 67.599 69.781 -2.182 2
1 1276 . 1 1 A 106 106 THR N N 103 118.569 119.806 -1.237 2
1 1277 . 1 1 A 107 107 ASP H H 104 8.400 8.952 -0.552 2
1 1278 . 1 1 A 107 107 ASP HA H 104 4.635 4.608 0.027 2
1 1281 . 1 1 A 107 107 ASP C C 104 176.214 176.114 0.100 2
1 1282 . 1 1 A 107 107 ASP CA C 104 55.771 55.571 0.200 2
1 1283 . 1 1 A 107 107 ASP CB C 104 41.463 41.730 -0.267 2
1 1284 . 1 1 A 107 107 ASP N N 104 125.388 124.668 0.720 2
1 1285 . 1 1 A 108 108 GLU H H 105 7.995 7.413 0.582 2
1 1286 . 1 1 A 108 108 GLU HA H 105 4.524 4.726 -0.202 2
1 1291 . 1 1 A 108 108 GLU C C 105 175.340 175.944 -0.604 2
1 1292 . 1 1 A 108 108 GLU CA C 105 54.564 55.096 -0.532 2
1 1293 . 1 1 A 108 108 GLU CB C 105 30.953 31.659 -0.706 2
1 1295 . 1 1 A 108 108 GLU N N 105 120.222 115.401 4.821 2
1 1296 . 1 1 A 109 109 ILE H H 106 8.389 8.649 -0.260 2
1 1297 . 1 1 A 109 109 ILE HA H 106 3.853 4.136 -0.282 2
1 1307 . 1 1 A 109 109 ILE C C 106 176.324 177.650 -1.326 2
1 1308 . 1 1 A 109 109 ILE CA C 106 60.148 62.935 -2.787 2
1 1309 . 1 1 A 109 109 ILE CB C 106 38.950 39.614 -0.664 2
1 1313 . 1 1 A 109 109 ILE N N 106 124.088 123.266 0.822 2
1 1314 . 1 1 A 110 110 GLY H H 107 8.534 8.384 0.150 2
1 1315 . 1 1 A 110 110 GLY HA2 H 107 3.744 3.753 -0.009 2
1 1316 . 1 1 A 110 110 GLY HA3 H 107 3.705 3.778 -0.073 2
1 1317 . 1 1 A 110 110 GLY C C 107 175.021 175.498 -0.477 2
1 1318 . 1 1 A 110 110 GLY CA C 107 46.530 47.023 -0.493 2
1 1319 . 1 1 A 110 110 GLY N N 107 109.224 109.160 0.064 2
1 1320 . 1 1 A 111 111 THR H H 108 7.892 7.898 -0.006 2
1 1321 . 1 1 A 111 111 THR HA H 108 4.255 4.207 0.048 2
1 1326 . 1 1 A 111 111 THR C C 108 175.417 175.292 0.125 2
1 1327 . 1 1 A 111 111 THR CA C 108 61.287 64.225 -2.938 2
1 1328 . 1 1 A 111 111 THR CB C 108 68.657 69.376 -0.719 2
1 1330 . 1 1 A 111 111 THR N N 108 111.278 116.366 -5.088 2
1 1331 . 1 1 A 112 112 LEU H H 109 7.950 7.431 0.520 2
1 1332 . 1 1 A 112 112 LEU HA H 109 3.887 4.595 -0.708 2
1 1342 . 1 1 A 112 112 LEU C C 109 175.715 176.037 -0.322 2
1 1343 . 1 1 A 112 112 LEU CA C 109 56.661 54.105 2.556 2
1 1344 . 1 1 A 112 112 LEU CB C 109 43.310 43.405 -0.095 2
1 1348 . 1 1 A 112 112 LEU N N 109 122.017 114.427 7.590 2
1 1349 . 1 1 A 113 113 LEU H H 110 7.003 7.200 -0.197 2
1 1350 . 1 1 A 113 113 LEU HA H 110 4.327 4.549 -0.222 2
1 1360 . 1 1 A 113 113 LEU C C 110 175.563 173.955 1.608 2
1 1361 . 1 1 A 113 113 LEU CA C 110 52.377 54.369 -1.992 2
1 1362 . 1 1 A 113 113 LEU CB C 110 44.890 45.127 -0.237 2
1 1366 . 1 1 A 113 113 LEU N N 110 113.184 120.064 -6.880 2
1 1367 . 1 1 A 114 114 THR H H 111 9.101 8.711 0.390 2
1 1368 . 1 1 A 114 114 THR HA H 111 4.079 4.857 -0.778 2
1 1373 . 1 1 A 114 114 THR C C 111 173.117 173.923 -0.806 2
1 1374 . 1 1 A 114 114 THR CA C 111 62.838 62.036 0.802 2
1 1375 . 1 1 A 114 114 THR CB C 111 68.245 70.139 -1.894 2
1 1377 . 1 1 A 114 114 THR N N 111 119.602 122.441 -2.839 2
1 1378 . 1 1 A 115 115 LEU H H 112 8.461 8.746 -0.285 2
1 1379 . 1 1 A 115 115 LEU HA H 112 4.985 5.330 -0.345 2
1 1389 . 1 1 A 115 115 LEU C C 112 178.488 177.100 1.388 2
1 1390 . 1 1 A 115 115 LEU CA C 112 52.953 53.493 -0.540 2
1 1391 . 1 1 A 115 115 LEU CB C 112 43.316 45.436 -2.120 2
1 1395 . 1 1 A 115 115 LEU N N 112 129.372 126.560 2.812 2
1 1396 . 1 1 A 116 116 VAL H H 113 8.550 8.892 -0.342 2
1 1397 . 1 1 A 116 116 VAL HA H 113 4.141 4.016 0.125 2
1 1405 . 1 1 A 116 116 VAL C C 113 175.638 177.239 -1.601 2
1 1406 . 1 1 A 116 116 VAL CA C 113 61.559 64.355 -2.796 2
1 1407 . 1 1 A 116 116 VAL CB C 113 32.128 31.856 0.272 2
1 1410 . 1 1 A 116 116 VAL N N 113 117.300 121.029 -3.729 2
1 1411 . 1 1 A 117 117 ASP H H 114 8.095 8.038 0.057 2
1 1412 . 1 1 A 117 117 ASP HA H 114 4.561 4.544 0.017 2
1 1415 . 1 1 A 117 117 ASP C C 114 175.610 176.498 -0.888 2
1 1416 . 1 1 A 117 117 ASP CA C 114 53.586 56.739 -3.153 2
1 1417 . 1 1 A 117 117 ASP CB C 114 41.131 41.596 -0.465 2
1 1418 . 1 1 A 117 117 ASP N N 114 121.410 121.169 0.241 2
1 1419 . 1 1 A 118 118 GLN H H 115 8.048 7.819 0.229 2
1 1420 . 1 1 A 118 118 GLN HA H 115 4.539 4.523 0.016 2
1 1427 . 1 1 A 118 118 GLN CA C 115 53.464 54.218 -0.754 2
1 1428 . 1 1 A 118 118 GLN CB C 115 29.143 28.086 1.057 2
1 1430 . 1 1 A 118 118 GLN N N 115 120.387 118.235 2.152 2
1 1432 . 1 1 A 119 119 PRO HA H 116 4.314 4.516 -0.202 2
1 1439 . 1 1 A 119 119 PRO C C 116 176.819 176.957 -0.138 2
1 1440 . 1 1 A 119 119 PRO CA C 116 63.073 63.061 0.012 2
1 1441 . 1 1 A 119 119 PRO CB C 116 32.117 32.220 -0.103 2
1 1444 . 1 1 A 120 120 GLN H H 117 8.404 8.666 -0.262 2
1 1445 . 1 1 A 120 120 GLN HA H 117 4.172 4.308 -0.136 2
1 1452 . 1 1 A 120 120 GLN C C 117 174.745 176.101 -1.356 2
1 1453 . 1 1 A 120 120 GLN CA C 117 55.531 56.911 -1.380 2
1 1454 . 1 1 A 120 120 GLN CB C 117 29.529 29.713 -0.184 2
1 1456 . 1 1 A 120 120 GLN N N 117 121.403 121.104 0.299 2
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