data_16560_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16560
_Entry.PDB_ID 2KPM
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 5 5 SER H H 5 8.350 8.372 -0.022 1
1 2 . 1 1 1 A 5 5 SER N N 5 116.816 118.624 -1.808 1
1 3 . 1 1 1 A 9 9 GLN H H 9 8.479 7.907 0.572 1
1 4 . 1 1 1 A 9 9 GLN N N 9 121.973 115.350 6.623 1
1 5 . 1 1 1 A 10 10 PRO HA H 10 4.392 4.518 -0.126 1
1 8 . 1 1 1 A 10 10 PRO C C 10 176.702 177.105 -0.403 1
1 9 . 1 1 1 A 10 10 PRO CA C 10 63.029 62.796 0.233 1
1 10 . 1 1 1 A 10 10 PRO CB C 10 32.056 31.661 0.395 1
1 11 . 1 1 1 A 11 11 ALA H H 11 8.421 8.589 -0.168 1
1 12 . 1 1 1 A 11 11 ALA HA H 11 4.254 4.407 -0.153 1
1 16 . 1 1 1 A 11 11 ALA C C 11 177.592 177.765 -0.173 1
1 17 . 1 1 1 A 11 11 ALA CA C 11 52.405 52.478 -0.073 1
1 18 . 1 1 1 A 11 11 ALA CB C 11 19.242 18.485 0.757 1
1 19 . 1 1 1 A 11 11 ALA N N 11 124.566 127.145 -2.579 1
1 20 . 1 1 1 A 12 12 ALA H H 12 8.297 8.054 0.243 1
1 21 . 1 1 1 A 12 12 ALA HA H 12 4.278 4.298 -0.020 1
1 25 . 1 1 1 A 12 12 ALA C C 12 177.607 177.637 -0.030 1
1 26 . 1 1 1 A 12 12 ALA CA C 12 52.402 52.567 -0.165 1
1 27 . 1 1 1 A 12 12 ALA CB C 12 19.397 19.409 -0.012 1
1 28 . 1 1 1 A 12 12 ALA N N 12 123.470 121.391 2.079 1
1 29 . 1 1 1 A 13 13 GLN H H 13 8.302 7.759 0.543 1
1 30 . 1 1 1 A 13 13 GLN HA H 13 4.304 4.381 -0.077 1
1 33 . 1 1 1 A 13 13 GLN C C 13 175.344 175.492 -0.148 1
1 34 . 1 1 1 A 13 13 GLN CA C 13 55.396 55.589 -0.193 1
1 35 . 1 1 1 A 13 13 GLN CB C 13 29.738 28.877 0.861 1
1 36 . 1 1 1 A 13 13 GLN N N 13 119.718 117.625 2.093 1
1 37 . 1 1 1 A 14 14 ALA H H 14 8.405 8.454 -0.049 1
1 38 . 1 1 1 A 14 14 ALA HA H 14 4.580 4.389 0.191 1
1 42 . 1 1 1 A 14 14 ALA C C 14 175.619 176.213 -0.594 1
1 43 . 1 1 1 A 14 14 ALA CA C 14 50.607 50.709 -0.102 1
1 44 . 1 1 1 A 14 14 ALA CB C 14 18.031 18.642 -0.611 1
1 45 . 1 1 1 A 14 14 ALA N N 14 127.291 125.286 2.005 1
1 46 . 1 1 1 A 15 15 PRO HA H 15 4.399 4.386 0.013 1
1 49 . 1 1 1 A 15 15 PRO C C 15 177.086 176.770 0.316 1
1 50 . 1 1 1 A 15 15 PRO CA C 15 63.294 63.306 -0.012 1
1 51 . 1 1 1 A 15 15 PRO CB C 15 31.988 31.690 0.298 1
1 52 . 1 1 1 A 16 16 GLU H H 16 8.656 8.320 0.336 1
1 53 . 1 1 1 A 16 16 GLU HA H 16 4.306 4.548 -0.242 1
1 56 . 1 1 1 A 16 16 GLU C C 16 176.897 176.037 0.860 1
1 57 . 1 1 1 A 16 16 GLU CA C 16 56.771 54.751 2.020 1
1 58 . 1 1 1 A 16 16 GLU CB C 16 30.209 30.207 0.002 1
1 59 . 1 1 1 A 16 16 GLU N N 16 120.957 118.132 2.825 1
1 60 . 1 1 1 A 17 17 THR H H 17 8.202 8.420 -0.218 1
1 61 . 1 1 1 A 17 17 THR HA H 17 4.336 4.047 0.289 1
1 66 . 1 1 1 A 17 17 THR C C 17 174.612 173.966 0.646 1
1 67 . 1 1 1 A 17 17 THR CA C 17 61.981 64.304 -2.323 1
1 68 . 1 1 1 A 17 17 THR CB C 17 69.928 68.946 0.982 1
1 70 . 1 1 1 A 17 17 THR N N 17 115.763 115.070 0.693 1
1 71 . 1 1 1 A 18 18 LYS H H 18 8.373 8.558 -0.185 1
1 72 . 1 1 1 A 18 18 LYS HA H 18 4.365 4.828 -0.463 1
1 81 . 1 1 1 A 18 18 LYS C C 18 176.509 175.174 1.335 1
1 82 . 1 1 1 A 18 18 LYS CA C 18 56.348 54.859 1.489 1
1 83 . 1 1 1 A 18 18 LYS CB C 18 33.051 33.758 -0.707 1
1 87 . 1 1 1 A 18 18 LYS N N 18 123.975 128.167 -4.192 1
1 88 . 1 1 1 A 19 19 GLN H H 19 8.387 8.662 -0.275 1
1 89 . 1 1 1 A 19 19 GLN HA H 19 4.378 4.746 -0.368 1
1 96 . 1 1 1 A 19 19 GLN C C 19 175.630 175.035 0.595 1
1 97 . 1 1 1 A 19 19 GLN CA C 19 55.614 54.098 1.516 1
1 98 . 1 1 1 A 19 19 GLN CB C 19 29.749 31.413 -1.664 1
1 100 . 1 1 1 A 19 19 GLN N N 19 121.480 125.357 -3.877 1
1 102 . 1 1 1 A 20 20 ALA H H 20 8.505 8.539 -0.034 1
1 103 . 1 1 1 A 20 20 ALA HA H 20 4.449 4.486 -0.037 1
1 107 . 1 1 1 A 20 20 ALA C C 20 177.361 177.299 0.062 1
1 108 . 1 1 1 A 20 20 ALA CA C 20 52.165 52.091 0.074 1
1 109 . 1 1 1 A 20 20 ALA CB C 20 19.253 19.569 -0.316 1
1 110 . 1 1 1 A 20 20 ALA N N 20 125.974 124.385 1.589 1
1 111 . 1 1 1 A 21 21 PHE H H 21 8.851 8.888 -0.037 1
1 112 . 1 1 1 A 21 21 PHE HA H 21 4.422 5.088 -0.666 1
1 120 . 1 1 1 A 21 21 PHE C C 21 176.063 174.682 1.381 1
1 121 . 1 1 1 A 21 21 PHE CA C 21 56.142 55.973 0.169 1
1 122 . 1 1 1 A 21 21 PHE CB C 21 39.867 39.350 0.517 1
1 128 . 1 1 1 A 21 21 PHE N N 21 124.486 119.616 4.870 1
1 129 . 1 1 1 A 22 22 PRO HA H 22 4.856 4.890 -0.034 1
1 136 . 1 1 1 A 22 22 PRO C C 22 174.848 177.218 -2.370 1
1 137 . 1 1 1 A 22 22 PRO CA C 22 62.078 62.570 -0.492 1
1 138 . 1 1 1 A 22 22 PRO CB C 22 28.563 30.883 -2.320 1
1 141 . 1 1 1 A 23 23 ARG H H 23 8.356 8.626 -0.270 1
1 142 . 1 1 1 A 23 23 ARG HA H 23 3.650 4.200 -0.550 1
1 149 . 1 1 1 A 23 23 ARG C C 23 176.762 178.680 -1.918 1
1 150 . 1 1 1 A 23 23 ARG CA C 23 60.448 58.409 2.039 1
1 151 . 1 1 1 A 23 23 ARG CB C 23 31.422 29.848 1.574 1
1 154 . 1 1 1 A 23 23 ARG N N 23 126.815 123.727 3.088 1
1 155 . 1 1 1 A 24 24 LYS H H 24 8.555 8.081 0.474 1
1 156 . 1 1 1 A 24 24 LYS HA H 24 3.926 4.013 -0.087 1
1 165 . 1 1 1 A 24 24 LYS C C 24 179.506 179.382 0.124 1
1 166 . 1 1 1 A 24 24 LYS CA C 24 59.888 59.414 0.474 1
1 167 . 1 1 1 A 24 24 LYS CB C 24 31.782 32.193 -0.411 1
1 171 . 1 1 1 A 24 24 LYS N N 24 116.573 119.546 -2.973 1
1 172 . 1 1 1 A 25 25 PHE H H 25 7.575 8.346 -0.771 1
1 173 . 1 1 1 A 25 25 PHE HA H 25 4.487 4.325 0.162 1
1 181 . 1 1 1 A 25 25 PHE C C 25 177.447 178.149 -0.702 1
1 182 . 1 1 1 A 25 25 PHE CA C 25 59.779 60.630 -0.851 1
1 183 . 1 1 1 A 25 25 PHE CB C 25 38.791 38.270 0.521 1
1 189 . 1 1 1 A 25 25 PHE N N 25 118.123 119.321 -1.198 1
1 190 . 1 1 1 A 26 26 VAL H H 26 8.024 8.128 -0.104 1
1 191 . 1 1 1 A 26 26 VAL HA H 26 3.608 3.645 -0.037 1
1 199 . 1 1 1 A 26 26 VAL C C 26 177.770 178.189 -0.419 1
1 200 . 1 1 1 A 26 26 VAL CA C 26 66.473 66.849 -0.376 1
1 201 . 1 1 1 A 26 26 VAL CB C 26 31.408 31.546 -0.138 1
1 204 . 1 1 1 A 26 26 VAL N N 26 117.081 119.528 -2.447 1
1 205 . 1 1 1 A 27 27 LEU H H 27 8.220 8.680 -0.460 1
1 206 . 1 1 1 A 27 27 LEU HA H 27 4.234 4.081 0.153 1
1 216 . 1 1 1 A 27 27 LEU C C 27 180.010 179.096 0.914 1
1 217 . 1 1 1 A 27 27 LEU CA C 27 57.864 57.830 0.034 1
1 218 . 1 1 1 A 27 27 LEU CB C 27 40.488 41.122 -0.634 1
1 222 . 1 1 1 A 27 27 LEU N N 27 118.748 117.647 1.101 1
1 223 . 1 1 1 A 28 28 ALA H H 28 8.014 8.206 -0.192 1
1 224 . 1 1 1 A 28 28 ALA HA H 28 4.289 4.006 0.283 1
1 228 . 1 1 1 A 28 28 ALA C C 28 179.951 179.597 0.354 1
1 229 . 1 1 1 A 28 28 ALA CA C 28 55.110 55.792 -0.682 1
1 230 . 1 1 1 A 28 28 ALA CB C 28 17.970 17.840 0.130 1
1 231 . 1 1 1 A 28 28 ALA N N 28 124.088 121.949 2.139 1
1 232 . 1 1 1 A 29 29 ALA H H 29 8.259 8.246 0.013 1
1 233 . 1 1 1 A 29 29 ALA HA H 29 3.942 4.629 -0.687 1
1 237 . 1 1 1 A 29 29 ALA C C 29 180.505 180.247 0.258 1
1 238 . 1 1 1 A 29 29 ALA CA C 29 54.976 55.189 -0.213 1
1 239 . 1 1 1 A 29 29 ALA CB C 29 17.923 18.414 -0.491 1
1 240 . 1 1 1 A 29 29 ALA N N 29 120.431 121.528 -1.097 1
1 241 . 1 1 1 A 30 30 LEU H H 30 8.098 8.413 -0.315 1
1 242 . 1 1 1 A 30 30 LEU HA H 30 4.007 4.263 -0.256 1
1 252 . 1 1 1 A 30 30 LEU C C 30 178.315 178.323 -0.008 1
1 253 . 1 1 1 A 30 30 LEU CA C 30 58.096 58.457 -0.361 1
1 254 . 1 1 1 A 30 30 LEU CB C 30 41.486 41.628 -0.142 1
1 258 . 1 1 1 A 30 30 LEU N N 30 120.849 120.396 0.453 1
1 259 . 1 1 1 A 31 31 GLU H H 31 8.115 8.659 -0.544 1
1 260 . 1 1 1 A 31 31 GLU HA H 31 3.967 4.050 -0.083 1
1 265 . 1 1 1 A 31 31 GLU C C 31 179.473 178.316 1.157 1
1 266 . 1 1 1 A 31 31 GLU CA C 31 59.683 59.208 0.475 1
1 267 . 1 1 1 A 31 31 GLU CB C 31 29.402 29.327 0.075 1
1 269 . 1 1 1 A 31 31 GLU N N 31 120.752 117.402 3.350 1
1 270 . 1 1 1 A 32 32 GLN H H 32 7.812 7.661 0.151 1
1 271 . 1 1 1 A 32 32 GLN HA H 32 4.001 4.054 -0.053 1
1 278 . 1 1 1 A 32 32 GLN C C 32 176.519 176.610 -0.091 1
1 279 . 1 1 1 A 32 32 GLN CA C 32 57.576 58.269 -0.693 1
1 280 . 1 1 1 A 32 32 GLN CB C 32 29.108 28.350 0.758 1
1 282 . 1 1 1 A 32 32 GLN N N 32 114.711 119.435 -4.724 1
1 284 . 1 1 1 A 33 33 SER H H 33 7.460 7.611 -0.151 1
1 285 . 1 1 1 A 33 33 SER HA H 33 4.257 4.363 -0.106 1
1 288 . 1 1 1 A 33 33 SER C C 33 174.508 174.137 0.371 1
1 289 . 1 1 1 A 33 33 SER CA C 33 58.504 58.126 0.378 1
1 290 . 1 1 1 A 33 33 SER CB C 33 65.131 63.653 1.478 1
1 291 . 1 1 1 A 33 33 SER N N 33 110.604 114.371 -3.767 1
1 292 . 1 1 1 A 34 34 SER H H 34 7.429 7.394 0.035 1
1 293 . 1 1 1 A 34 34 SER HA H 34 4.468 4.742 -0.274 1
1 296 . 1 1 1 A 34 34 SER C C 34 174.588 174.344 0.244 1
1 297 . 1 1 1 A 34 34 SER CA C 34 58.556 58.312 0.244 1
1 298 . 1 1 1 A 34 34 SER CB C 34 65.278 64.542 0.736 1
1 299 . 1 1 1 A 34 34 SER N N 34 117.544 117.046 0.498 1
1 300 . 1 1 1 A 35 35 ASP H H 35 8.822 9.354 -0.532 1
1 301 . 1 1 1 A 35 35 ASP HA H 35 4.778 4.845 -0.067 1
1 304 . 1 1 1 A 35 35 ASP C C 35 178.268 177.687 0.581 1
1 305 . 1 1 1 A 35 35 ASP CA C 35 52.849 54.108 -1.259 1
1 306 . 1 1 1 A 35 35 ASP CB C 35 41.314 41.872 -0.558 1
1 307 . 1 1 1 A 35 35 ASP N N 35 121.575 123.208 -1.633 1
1 308 . 1 1 1 A 36 36 ASP H H 36 8.483 9.017 -0.534 1
1 309 . 1 1 1 A 36 36 ASP HA H 36 4.414 4.296 0.118 1
1 312 . 1 1 1 A 36 36 ASP C C 36 176.670 177.244 -0.574 1
1 313 . 1 1 1 A 36 36 ASP CA C 36 56.605 57.943 -1.338 1
1 314 . 1 1 1 A 36 36 ASP CB C 36 40.286 40.838 -0.552 1
1 315 . 1 1 1 A 36 36 ASP N N 36 117.398 122.861 -5.463 1
1 316 . 1 1 1 A 37 37 ALA H H 37 8.242 7.546 0.696 1
1 317 . 1 1 1 A 37 37 ALA HA H 37 4.532 4.419 0.113 1
1 321 . 1 1 1 A 37 37 ALA C C 37 177.407 177.732 -0.325 1
1 322 . 1 1 1 A 37 37 ALA CA C 37 51.677 51.975 -0.298 1
1 323 . 1 1 1 A 37 37 ALA CB C 37 19.774 19.548 0.226 1
1 324 . 1 1 1 A 37 37 ALA N N 37 122.052 118.186 3.866 1
1 325 . 1 1 1 A 38 38 GLY H H 38 8.155 8.868 -0.713 1
1 326 . 1 1 1 A 38 38 GLY HA2 H 38 3.624 3.791 -0.167 1
1 327 . 1 1 1 A 38 38 GLY HA3 H 38 4.080 3.856 0.224 1
1 328 . 1 1 1 A 38 38 GLY C C 38 173.417 173.734 -0.317 1
1 329 . 1 1 1 A 38 38 GLY CA C 38 45.093 46.117 -1.024 1
1 330 . 1 1 1 A 38 38 GLY N N 38 107.721 107.088 0.633 1
1 331 . 1 1 1 A 39 39 TRP H H 39 8.449 7.973 0.476 1
1 332 . 1 1 1 A 39 39 TRP HA H 39 5.054 5.210 -0.156 1
1 341 . 1 1 1 A 39 39 TRP C C 39 176.577 175.088 1.489 1
1 342 . 1 1 1 A 39 39 TRP CA C 39 56.596 55.669 0.927 1
1 343 . 1 1 1 A 39 39 TRP CB C 39 32.184 33.320 -1.136 1
1 349 . 1 1 1 A 39 39 TRP N N 39 119.797 119.378 0.419 1
1 351 . 1 1 1 A 40 40 ALA H H 40 9.855 9.172 0.683 1
1 352 . 1 1 1 A 40 40 ALA HA H 40 5.099 5.273 -0.174 1
1 356 . 1 1 1 A 40 40 ALA C C 40 176.165 176.417 -0.252 1
1 357 . 1 1 1 A 40 40 ALA CA C 40 50.202 50.358 -0.156 1
1 358 . 1 1 1 A 40 40 ALA CB C 40 23.153 21.026 2.127 1
1 359 . 1 1 1 A 40 40 ALA N N 40 124.618 126.541 -1.923 1
1 360 . 1 1 1 A 41 41 ASN H H 41 8.794 8.435 0.359 1
1 361 . 1 1 1 A 41 41 ASN HA H 41 3.771 4.163 -0.392 1
1 366 . 1 1 1 A 41 41 ASN C C 41 175.824 176.283 -0.459 1
1 367 . 1 1 1 A 41 41 ASN CA C 41 52.724 53.125 -0.401 1
1 368 . 1 1 1 A 41 41 ASN CB C 41 39.927 39.739 0.188 1
1 369 . 1 1 1 A 41 41 ASN N N 41 121.050 121.376 -0.326 1
1 371 . 1 1 1 A 42 42 LEU H H 42 8.493 8.837 -0.344 1
1 372 . 1 1 1 A 42 42 LEU HA H 42 3.834 4.068 -0.234 1
1 382 . 1 1 1 A 42 42 LEU C C 42 178.256 179.077 -0.821 1
1 383 . 1 1 1 A 42 42 LEU CA C 42 58.859 58.391 0.468 1
1 384 . 1 1 1 A 42 42 LEU CB C 42 42.233 41.953 0.280 1
1 388 . 1 1 1 A 42 42 LEU N N 42 126.418 129.311 -2.893 1
1 389 . 1 1 1 A 43 43 GLY H H 43 8.440 8.071 0.369 1
1 390 . 1 1 1 A 43 43 GLY HA2 H 43 3.912 3.764 0.148 1
1 391 . 1 1 1 A 43 43 GLY HA3 H 43 3.822 3.779 0.043 1
1 392 . 1 1 1 A 43 43 GLY C C 43 176.344 175.984 0.360 1
1 393 . 1 1 1 A 43 43 GLY CA C 43 47.070 47.450 -0.380 1
1 394 . 1 1 1 A 43 43 GLY N N 43 106.800 106.369 0.431 1
1 395 . 1 1 1 A 44 44 ASN H H 44 7.916 7.880 0.036 1
1 396 . 1 1 1 A 44 44 ASN HA H 44 4.472 4.487 -0.015 1
1 401 . 1 1 1 A 44 44 ASN C C 44 177.888 178.015 -0.127 1
1 402 . 1 1 1 A 44 44 ASN CA C 44 56.004 56.007 -0.003 1
1 403 . 1 1 1 A 44 44 ASN CB C 44 38.316 37.526 0.790 1
1 404 . 1 1 1 A 44 44 ASN N N 44 121.472 119.931 1.541 1
1 406 . 1 1 1 A 45 45 PHE H H 45 8.563 8.390 0.173 1
1 407 . 1 1 1 A 45 45 PHE HA H 45 4.498 4.277 0.221 1
1 415 . 1 1 1 A 45 45 PHE C C 45 176.732 178.073 -1.341 1
1 416 . 1 1 1 A 45 45 PHE CA C 45 60.350 60.359 -0.009 1
1 417 . 1 1 1 A 45 45 PHE CB C 45 38.824 38.916 -0.092 1
1 423 . 1 1 1 A 45 45 PHE N N 45 121.835 122.004 -0.169 1
1 424 . 1 1 1 A 46 46 GLY H H 46 8.933 8.943 -0.010 1
1 425 . 1 1 1 A 46 46 GLY HA2 H 46 3.820 3.513 0.307 1
1 426 . 1 1 1 A 46 46 GLY HA3 H 46 3.186 3.732 -0.546 1
1 427 . 1 1 1 A 46 46 GLY C C 46 176.053 175.569 0.484 1
1 428 . 1 1 1 A 46 46 GLY CA C 46 47.171 46.880 0.291 1
1 429 . 1 1 1 A 46 46 GLY N N 46 106.269 106.410 -0.141 1
1 430 . 1 1 1 A 47 47 ASN H H 47 7.812 7.714 0.098 1
1 431 . 1 1 1 A 47 47 ASN HA H 47 4.470 4.465 0.005 1
1 436 . 1 1 1 A 47 47 ASN C C 47 178.087 177.108 0.979 1
1 437 . 1 1 1 A 47 47 ASN CA C 47 55.974 55.841 0.133 1
1 438 . 1 1 1 A 47 47 ASN CB C 47 38.149 38.898 -0.749 1
1 439 . 1 1 1 A 47 47 ASN N N 47 120.030 120.116 -0.086 1
1 441 . 1 1 1 A 48 48 TYR H H 48 8.093 8.479 -0.386 1
1 442 . 1 1 1 A 48 48 TYR HA H 48 4.007 4.175 -0.168 1
1 449 . 1 1 1 A 48 48 TYR C C 48 178.310 177.524 0.786 1
1 450 . 1 1 1 A 48 48 TYR CA C 48 62.527 61.104 1.423 1
1 451 . 1 1 1 A 48 48 TYR CB C 48 38.254 38.879 -0.625 1
1 456 . 1 1 1 A 48 48 TYR N N 48 121.030 119.974 1.056 1
1 457 . 1 1 1 A 49 49 LEU H H 49 8.480 8.399 0.081 1
1 458 . 1 1 1 A 49 49 LEU HA H 49 3.624 3.884 -0.260 1
1 468 . 1 1 1 A 49 49 LEU C C 49 177.653 178.344 -0.691 1
1 469 . 1 1 1 A 49 49 LEU CA C 49 58.321 57.958 0.363 1
1 470 . 1 1 1 A 49 49 LEU CB C 49 41.046 40.827 0.219 1
1 474 . 1 1 1 A 49 49 LEU N N 49 121.024 121.107 -0.083 1
1 475 . 1 1 1 A 50 50 ASN H H 50 7.564 8.123 -0.559 1
1 476 . 1 1 1 A 50 50 ASN HA H 50 4.493 4.581 -0.088 1
1 481 . 1 1 1 A 50 50 ASN C C 50 176.498 177.609 -1.111 1
1 482 . 1 1 1 A 50 50 ASN CA C 50 55.479 55.750 -0.271 1
1 483 . 1 1 1 A 50 50 ASN CB C 50 39.302 38.900 0.402 1
1 484 . 1 1 1 A 50 50 ASN N N 50 114.582 116.644 -2.062 1
1 486 . 1 1 1 A 51 51 LYS H H 51 7.370 7.342 0.028 1
1 487 . 1 1 1 A 51 51 LYS HA H 51 3.990 3.929 0.061 1
1 496 . 1 1 1 A 51 51 LYS C C 51 178.403 178.873 -0.470 1
1 497 . 1 1 1 A 51 51 LYS CA C 51 58.512 59.533 -1.021 1
1 498 . 1 1 1 A 51 51 LYS CB C 51 32.245 32.137 0.108 1
1 502 . 1 1 1 A 51 51 LYS N N 51 118.289 118.807 -0.518 1
1 503 . 1 1 1 A 52 52 LEU H H 52 7.518 7.134 0.384 1
1 504 . 1 1 1 A 52 52 LEU HA H 52 4.085 4.163 -0.078 1
1 514 . 1 1 1 A 52 52 LEU C C 52 177.924 176.656 1.268 1
1 515 . 1 1 1 A 52 52 LEU CA C 52 56.424 56.293 0.131 1
1 516 . 1 1 1 A 52 52 LEU CB C 52 42.952 43.580 -0.628 1
1 520 . 1 1 1 A 52 52 LEU N N 52 117.841 118.583 -0.742 1
1 521 . 1 1 1 A 53 53 GLN H H 53 8.438 8.065 0.373 1
1 522 . 1 1 1 A 53 53 GLN HA H 53 4.583 4.671 -0.088 1
1 529 . 1 1 1 A 53 53 GLN C C 53 172.039 174.176 -2.137 1
1 530 . 1 1 1 A 53 53 GLN CA C 53 52.780 53.625 -0.845 1
1 531 . 1 1 1 A 53 53 GLN CB C 53 29.902 29.062 0.840 1
1 533 . 1 1 1 A 53 53 GLN N N 53 118.578 117.792 0.786 1
1 535 . 1 1 1 A 54 54 PRO HA H 54 4.718 4.426 0.292 1
1 542 . 1 1 1 A 54 54 PRO C C 54 177.295 177.419 -0.124 1
1 543 . 1 1 1 A 54 54 PRO CA C 54 64.754 64.450 0.304 1
1 544 . 1 1 1 A 54 54 PRO CB C 54 31.924 31.933 -0.009 1
1 547 . 1 1 1 A 55 55 ASP H H 55 8.349 8.367 -0.018 1
1 548 . 1 1 1 A 55 55 ASP HA H 55 4.596 4.564 0.032 1
1 551 . 1 1 1 A 55 55 ASP C C 55 176.361 176.087 0.274 1
1 552 . 1 1 1 A 55 55 ASP CA C 55 53.467 55.355 -1.888 1
1 553 . 1 1 1 A 55 55 ASP CB C 55 40.050 40.482 -0.432 1
1 554 . 1 1 1 A 55 55 ASP N N 55 114.766 116.700 -1.934 1
1 555 . 1 1 1 A 56 56 PHE H H 56 8.187 7.509 0.678 1
1 556 . 1 1 1 A 56 56 PHE HA H 56 4.055 4.819 -0.764 1
1 564 . 1 1 1 A 56 56 PHE C C 56 175.257 174.097 1.160 1
1 565 . 1 1 1 A 56 56 PHE CA C 56 61.149 56.611 4.538 1
1 566 . 1 1 1 A 56 56 PHE CB C 56 38.680 39.119 -0.439 1
1 572 . 1 1 1 A 56 56 PHE N N 56 122.323 121.015 1.308 1
1 573 . 1 1 1 A 57 57 ASP H H 57 6.887 8.486 -1.599 1
1 574 . 1 1 1 A 57 57 ASP HA H 57 4.670 5.068 -0.398 1
1 577 . 1 1 1 A 57 57 ASP C C 57 176.308 176.321 -0.013 1
1 578 . 1 1 1 A 57 57 ASP CA C 57 52.895 52.480 0.415 1
1 579 . 1 1 1 A 57 57 ASP CB C 57 42.942 43.010 -0.068 1
1 580 . 1 1 1 A 57 57 ASP N N 57 127.342 128.628 -1.286 1
1 581 . 1 1 1 A 58 58 SER H H 58 9.284 9.098 0.186 1
1 582 . 1 1 1 A 58 58 SER HA H 58 3.991 4.220 -0.229 1
1 585 . 1 1 1 A 58 58 SER C C 58 176.248 176.706 -0.458 1
1 586 . 1 1 1 A 58 58 SER CA C 58 63.050 61.284 1.766 1
1 587 . 1 1 1 A 58 58 SER CB C 58 63.339 63.093 0.246 1
1 588 . 1 1 1 A 58 58 SER N N 58 123.478 121.391 2.087 1
1 589 . 1 1 1 A 59 59 ARG H H 59 8.639 7.460 1.179 1
1 590 . 1 1 1 A 59 59 ARG HA H 59 4.073 4.163 -0.090 1
1 597 . 1 1 1 A 59 59 ARG C C 59 180.693 178.795 1.898 1
1 598 . 1 1 1 A 59 59 ARG CA C 59 58.787 58.491 0.296 1
1 599 . 1 1 1 A 59 59 ARG CB C 59 29.824 30.087 -0.263 1
1 602 . 1 1 1 A 59 59 ARG N N 59 123.207 121.412 1.795 1
1 603 . 1 1 1 A 60 60 LEU H H 60 7.460 7.458 0.002 1
1 604 . 1 1 1 A 60 60 LEU HA H 60 3.841 3.963 -0.122 1
1 614 . 1 1 1 A 60 60 LEU C C 60 177.018 177.725 -0.707 1
1 615 . 1 1 1 A 60 60 LEU CA C 60 56.556 57.086 -0.530 1
1 616 . 1 1 1 A 60 60 LEU CB C 60 41.013 41.163 -0.150 1
1 620 . 1 1 1 A 60 60 LEU N N 60 120.191 119.091 1.100 1
1 621 . 1 1 1 A 61 61 TYR H H 61 7.200 7.621 -0.421 1
1 622 . 1 1 1 A 61 61 TYR HA H 61 4.781 4.626 0.155 1
1 629 . 1 1 1 A 61 61 TYR C C 61 175.303 175.751 -0.448 1
1 630 . 1 1 1 A 61 61 TYR CA C 61 56.371 57.977 -1.606 1
1 631 . 1 1 1 A 61 61 TYR CB C 61 38.825 39.038 -0.213 1
1 636 . 1 1 1 A 61 61 TYR N N 61 114.720 116.320 -1.600 1
1 637 . 1 1 1 A 62 62 GLY H H 62 7.354 7.942 -0.588 1
1 638 . 1 1 1 A 62 62 GLY HA2 H 62 3.968 3.891 0.077 1
1 639 . 1 1 1 A 62 62 GLY HA3 H 62 3.552 3.933 -0.381 1
1 640 . 1 1 1 A 62 62 GLY C C 62 173.542 174.051 -0.509 1
1 641 . 1 1 1 A 62 62 GLY CA C 62 44.889 45.550 -0.661 1
1 642 . 1 1 1 A 62 62 GLY N N 62 104.100 108.549 -4.449 1
1 643 . 1 1 1 A 63 63 TYR H H 63 7.377 7.960 -0.583 1
1 644 . 1 1 1 A 63 63 TYR HA H 63 4.937 4.649 0.288 1
1 651 . 1 1 1 A 63 63 TYR C C 63 175.675 176.345 -0.670 1
1 652 . 1 1 1 A 63 63 TYR CA C 63 56.902 58.215 -1.313 1
1 653 . 1 1 1 A 63 63 TYR CB C 63 42.609 40.293 2.316 1
1 658 . 1 1 1 A 63 63 TYR N N 63 117.874 119.787 -1.913 1
1 659 . 1 1 1 A 64 64 LYS H H 64 9.403 8.804 0.599 1
1 660 . 1 1 1 A 64 64 LYS HA H 64 3.914 4.139 -0.225 1
1 669 . 1 1 1 A 64 64 LYS C C 64 176.334 176.692 -0.358 1
1 670 . 1 1 1 A 64 64 LYS CA C 64 59.534 58.743 0.791 1
1 671 . 1 1 1 A 64 64 LYS CB C 64 32.892 32.955 -0.063 1
1 675 . 1 1 1 A 64 64 LYS N N 64 123.946 123.601 0.345 1
1 676 . 1 1 1 A 65 65 LYS H H 65 7.635 7.583 0.052 1
1 677 . 1 1 1 A 65 65 LYS HA H 65 4.787 4.700 0.087 1
1 686 . 1 1 1 A 65 65 LYS C C 65 177.231 176.545 0.686 1
1 687 . 1 1 1 A 65 65 LYS CA C 65 54.089 55.276 -1.187 1
1 688 . 1 1 1 A 65 65 LYS CB C 65 35.722 34.598 1.124 1
1 692 . 1 1 1 A 65 65 LYS N N 65 112.461 114.631 -2.170 1
1 693 . 1 1 1 A 66 66 LEU H H 66 9.090 8.796 0.294 1
1 694 . 1 1 1 A 66 66 LEU HA H 66 4.240 4.208 0.032 1
1 704 . 1 1 1 A 66 66 LEU C C 66 178.820 177.937 0.883 1
1 705 . 1 1 1 A 66 66 LEU CA C 66 58.129 58.560 -0.431 1
1 706 . 1 1 1 A 66 66 LEU CB C 66 41.476 41.568 -0.092 1
1 710 . 1 1 1 A 66 66 LEU N N 66 124.584 121.807 2.777 1
1 711 . 1 1 1 A 67 67 SER H H 67 8.867 8.148 0.719 1
1 712 . 1 1 1 A 67 67 SER HA H 67 3.697 4.097 -0.400 1
1 715 . 1 1 1 A 67 67 SER C C 67 175.588 176.922 -1.334 1
1 716 . 1 1 1 A 67 67 SER CA C 67 61.518 61.699 -0.181 1
1 717 . 1 1 1 A 67 67 SER CB C 67 61.537 63.015 -1.478 1
1 718 . 1 1 1 A 67 67 SER N N 67 112.095 114.477 -2.382 1
1 719 . 1 1 1 A 68 68 ASP H H 68 6.783 8.057 -1.274 1
1 720 . 1 1 1 A 68 68 ASP HA H 68 4.356 4.447 -0.091 1
1 723 . 1 1 1 A 68 68 ASP C C 68 177.827 178.272 -0.445 1
1 724 . 1 1 1 A 68 68 ASP CA C 68 57.170 57.350 -0.180 1
1 725 . 1 1 1 A 68 68 ASP CB C 68 41.380 41.181 0.199 1
1 726 . 1 1 1 A 68 68 ASP N N 68 119.720 121.169 -1.449 1
1 727 . 1 1 1 A 69 69 LEU H H 69 7.153 7.655 -0.502 1
1 728 . 1 1 1 A 69 69 LEU HA H 69 2.561 3.086 -0.525 1
1 738 . 1 1 1 A 69 69 LEU C C 69 177.830 178.415 -0.585 1
1 739 . 1 1 1 A 69 69 LEU CA C 69 58.843 57.973 0.870 1
1 740 . 1 1 1 A 69 69 LEU CB C 69 42.203 41.335 0.868 1
1 744 . 1 1 1 A 69 69 LEU N N 69 122.181 120.585 1.596 1
1 745 . 1 1 1 A 70 70 VAL H H 70 8.167 8.190 -0.023 1
1 746 . 1 1 1 A 70 70 VAL HA H 70 3.509 3.670 -0.161 1
1 754 . 1 1 1 A 70 70 VAL C C 70 177.695 178.148 -0.453 1
1 755 . 1 1 1 A 70 70 VAL CA C 70 65.582 66.881 -1.299 1
1 756 . 1 1 1 A 70 70 VAL CB C 70 31.409 31.500 -0.091 1
1 759 . 1 1 1 A 70 70 VAL N N 70 116.117 119.069 -2.952 1
1 760 . 1 1 1 A 71 71 LYS H H 71 7.665 8.085 -0.420 1
1 761 . 1 1 1 A 71 71 LYS HA H 71 3.854 4.128 -0.274 1
1 770 . 1 1 1 A 71 71 LYS C C 71 177.406 178.770 -1.364 1
1 771 . 1 1 1 A 71 71 LYS CA C 71 59.175 58.806 0.369 1
1 772 . 1 1 1 A 71 71 LYS CB C 71 32.804 31.474 1.330 1
1 776 . 1 1 1 A 71 71 LYS N N 71 116.326 119.831 -3.505 1
1 777 . 1 1 1 A 72 72 ALA H H 72 7.506 7.690 -0.184 1
1 778 . 1 1 1 A 72 72 ALA HA H 72 4.391 4.269 0.122 1
1 782 . 1 1 1 A 72 72 ALA C C 72 180.756 178.885 1.871 1
1 783 . 1 1 1 A 72 72 ALA CA C 72 53.691 54.991 -1.300 1
1 784 . 1 1 1 A 72 72 ALA CB C 72 20.243 19.031 1.212 1
1 785 . 1 1 1 A 72 72 ALA N N 72 118.313 121.559 -3.246 1
1 786 . 1 1 1 A 73 73 ARG H H 73 7.603 7.869 -0.266 1
1 787 . 1 1 1 A 73 73 ARG HA H 73 4.872 4.553 0.319 1
1 795 . 1 1 1 A 73 73 ARG C C 73 177.558 176.968 0.590 1
1 796 . 1 1 1 A 73 73 ARG CA C 73 51.230 54.858 -3.628 1
1 797 . 1 1 1 A 73 73 ARG CB C 73 25.568 28.995 -3.427 1
1 800 . 1 1 1 A 73 73 ARG N N 73 118.690 116.355 2.335 1
1 802 . 1 1 1 A 74 74 THR H H 74 8.261 7.826 0.435 1
1 803 . 1 1 1 A 74 74 THR HA H 74 4.552 4.458 0.094 1
1 808 . 1 1 1 A 74 74 THR C C 74 174.706 175.985 -1.279 1
1 809 . 1 1 1 A 74 74 THR CA C 74 62.876 64.513 -1.637 1
1 810 . 1 1 1 A 74 74 THR CB C 74 68.716 68.712 0.004 1
1 812 . 1 1 1 A 74 74 THR N N 74 115.950 112.748 3.202 1
1 813 . 1 1 1 A 75 75 ASP H H 75 9.542 8.119 1.423 1
1 814 . 1 1 1 A 75 75 ASP HA H 75 4.310 4.237 0.073 1
1 817 . 1 1 1 A 75 75 ASP C C 75 175.958 177.496 -1.538 1
1 818 . 1 1 1 A 75 75 ASP CA C 75 54.476 57.441 -2.965 1
1 819 . 1 1 1 A 75 75 ASP CB C 75 38.969 41.811 -2.842 1
1 820 . 1 1 1 A 75 75 ASP N N 75 116.582 122.105 -5.523 1
1 821 . 1 1 1 A 76 76 LEU H H 76 7.078 7.227 -0.149 1
1 822 . 1 1 1 A 76 76 LEU HA H 76 4.225 3.961 0.264 1
1 832 . 1 1 1 A 76 76 LEU C C 76 177.244 176.231 1.013 1
1 833 . 1 1 1 A 76 76 LEU CA C 76 55.349 55.703 -0.354 1
1 834 . 1 1 1 A 76 76 LEU CB C 76 43.508 42.956 0.552 1
1 838 . 1 1 1 A 76 76 LEU N N 76 117.639 118.041 -0.402 1
1 839 . 1 1 1 A 77 77 PHE H H 77 7.977 7.324 0.653 1
1 840 . 1 1 1 A 77 77 PHE HA H 77 5.648 5.109 0.539 1
1 848 . 1 1 1 A 77 77 PHE C C 77 175.868 174.883 0.985 1
1 849 . 1 1 1 A 77 77 PHE CA C 77 54.878 56.438 -1.560 1
1 850 . 1 1 1 A 77 77 PHE CB C 77 42.833 42.485 0.348 1
1 856 . 1 1 1 A 77 77 PHE N N 77 115.989 115.379 0.610 1
1 857 . 1 1 1 A 78 78 VAL H H 78 8.863 9.071 -0.208 1
1 858 . 1 1 1 A 78 78 VAL HA H 78 4.425 4.510 -0.085 1
1 866 . 1 1 1 A 78 78 VAL C C 78 175.288 175.753 -0.465 1
1 867 . 1 1 1 A 78 78 VAL CA C 78 61.575 62.696 -1.121 1
1 868 . 1 1 1 A 78 78 VAL CB C 78 33.988 31.629 2.359 1
1 871 . 1 1 1 A 78 78 VAL N N 78 123.339 123.720 -0.381 1
1 872 . 1 1 1 A 79 79 THR H H 79 8.305 9.006 -0.701 1
1 873 . 1 1 1 A 79 79 THR HA H 79 5.882 5.565 0.317 1
1 878 . 1 1 1 A 79 79 THR C C 79 174.566 173.889 0.677 1
1 879 . 1 1 1 A 79 79 THR CA C 79 59.476 60.517 -1.041 1
1 880 . 1 1 1 A 79 79 THR CB C 79 73.090 70.834 2.256 1
1 882 . 1 1 1 A 79 79 THR N N 79 113.057 119.514 -6.457 1
1 883 . 1 1 1 A 80 80 GLU H H 80 8.962 8.712 0.250 1
1 884 . 1 1 1 A 80 80 GLU HA H 80 4.589 4.836 -0.247 1
1 889 . 1 1 1 A 80 80 GLU C C 80 174.040 175.842 -1.802 1
1 890 . 1 1 1 A 80 80 GLU CA C 80 55.878 54.916 0.962 1
1 891 . 1 1 1 A 80 80 GLU CB C 80 33.399 33.981 -0.582 1
1 893 . 1 1 1 A 80 80 GLU N N 80 117.934 122.832 -4.898 1
1 894 . 1 1 1 A 81 81 GLU H H 81 8.687 8.773 -0.086 1
1 895 . 1 1 1 A 81 81 GLU HA H 81 5.213 4.792 0.421 1
1 900 . 1 1 1 A 81 81 GLU C C 81 176.406 175.791 0.615 1
1 901 . 1 1 1 A 81 81 GLU CA C 81 55.186 56.238 -1.052 1
1 902 . 1 1 1 A 81 81 GLU CB C 81 31.544 30.496 1.048 1
1 904 . 1 1 1 A 81 81 GLU N N 81 122.400 122.357 0.043 1
1 905 . 1 1 1 A 82 82 ARG H H 82 9.118 9.223 -0.105 1
1 906 . 1 1 1 A 82 82 ARG HA H 82 4.635 4.662 -0.027 1
1 914 . 1 1 1 A 82 82 ARG C C 82 175.222 174.769 0.453 1
1 915 . 1 1 1 A 82 82 ARG CA C 82 54.746 54.328 0.418 1
1 916 . 1 1 1 A 82 82 ARG CB C 82 33.719 33.175 0.544 1
1 919 . 1 1 1 A 82 82 ARG N N 82 121.851 124.175 -2.324 1
1 921 . 1 1 1 A 83 83 GLN H H 83 8.642 8.529 0.113 1
1 922 . 1 1 1 A 83 83 GLN HA H 83 4.340 4.598 -0.258 1
1 927 . 1 1 1 A 83 83 GLN C C 83 175.705 175.523 0.182 1
1 928 . 1 1 1 A 83 83 GLN CA C 83 56.094 55.685 0.409 1
1 929 . 1 1 1 A 83 83 GLN CB C 83 29.424 29.600 -0.176 1
1 931 . 1 1 1 A 83 83 GLN N N 83 121.976 122.741 -0.765 1
1 932 . 1 1 1 A 84 84 VAL H H 84 8.818 8.567 0.251 1
1 933 . 1 1 1 A 84 84 VAL HA H 84 4.399 4.478 -0.079 1
1 941 . 1 1 1 A 84 84 VAL C C 84 174.439 174.687 -0.248 1
1 942 . 1 1 1 A 84 84 VAL CA C 84 59.977 59.394 0.583 1
1 943 . 1 1 1 A 84 84 VAL CB C 84 32.948 32.117 0.831 1
1 946 . 1 1 1 A 84 84 VAL N N 84 128.548 126.329 2.219 1
1 947 . 1 1 1 A 85 85 PRO HA H 85 4.313 4.267 0.046 1
1 954 . 1 1 1 A 85 85 PRO C C 85 178.026 177.456 0.570 1
1 955 . 1 1 1 A 85 85 PRO CA C 85 64.139 64.126 0.013 1
1 956 . 1 1 1 A 85 85 PRO CB C 85 31.744 31.456 0.288 1
1 959 . 1 1 1 A 86 86 GLY H H 86 8.815 8.812 0.003 1
1 960 . 1 1 1 A 86 86 GLY HA2 H 86 3.751 3.892 -0.141 1
1 961 . 1 1 1 A 86 86 GLY HA3 H 86 4.148 3.894 0.254 1
1 962 . 1 1 1 A 86 86 GLY C C 86 173.673 173.977 -0.304 1
1 963 . 1 1 1 A 86 86 GLY CA C 86 45.661 45.189 0.472 1
1 964 . 1 1 1 A 86 86 GLY N N 86 111.839 113.255 -1.416 1
1 965 . 1 1 1 A 87 87 SER H H 87 8.029 7.843 0.186 1
1 966 . 1 1 1 A 87 87 SER HA H 87 4.955 4.697 0.258 1
1 969 . 1 1 1 A 87 87 SER C C 87 174.293 174.463 -0.170 1
1 970 . 1 1 1 A 87 87 SER CA C 87 56.119 58.183 -2.064 1
1 971 . 1 1 1 A 87 87 SER CB C 87 65.288 65.014 0.274 1
1 972 . 1 1 1 A 87 87 SER N N 87 114.255 116.894 -2.639 1
1 973 . 1 1 1 A 88 88 THR H H 88 8.366 8.514 -0.148 1
1 974 . 1 1 1 A 88 88 THR HA H 88 4.438 4.261 0.177 1
1 979 . 1 1 1 A 88 88 THR C C 88 175.360 174.213 1.147 1
1 980 . 1 1 1 A 88 88 THR CA C 88 62.103 64.088 -1.985 1
1 981 . 1 1 1 A 88 88 THR CB C 88 69.017 69.571 -0.554 1
1 983 . 1 1 1 A 88 88 THR N N 88 112.921 119.187 -6.266 1
1 984 . 1 1 1 A 89 89 GLN H H 89 8.342 7.578 0.764 1
1 985 . 1 1 1 A 89 89 GLN HA H 89 4.382 4.646 -0.264 1
1 990 . 1 1 1 A 89 89 GLN C C 89 175.462 175.540 -0.078 1
1 991 . 1 1 1 A 89 89 GLN CA C 89 55.599 55.003 0.596 1
1 992 . 1 1 1 A 89 89 GLN CB C 89 30.016 30.500 -0.484 1
1 994 . 1 1 1 A 89 89 GLN N N 89 122.086 116.336 5.750 1
1 995 . 1 1 1 A 90 90 LYS H H 90 8.584 8.512 0.072 1
1 996 . 1 1 1 A 90 90 LYS HA H 90 4.779 4.825 -0.046 1
1 1005 . 1 1 1 A 90 90 LYS C C 90 175.897 175.423 0.474 1
1 1006 . 1 1 1 A 90 90 LYS CA C 90 55.590 55.645 -0.055 1
1 1007 . 1 1 1 A 90 90 LYS CB C 90 34.742 33.719 1.023 1
1 1011 . 1 1 1 A 90 90 LYS N N 90 121.945 119.504 2.441 1
1 1012 . 1 1 1 A 91 91 ALA H H 91 8.975 9.190 -0.215 1
1 1013 . 1 1 1 A 91 91 ALA HA H 91 4.738 5.258 -0.520 1
1 1017 . 1 1 1 A 91 91 ALA C C 91 175.585 175.931 -0.346 1
1 1018 . 1 1 1 A 91 91 ALA CA C 91 50.741 50.127 0.614 1
1 1019 . 1 1 1 A 91 91 ALA CB C 91 22.890 21.868 1.022 1
1 1020 . 1 1 1 A 91 91 ALA N N 91 124.604 123.953 0.651 1
1 1021 . 1 1 1 A 92 92 LEU H H 92 8.523 8.613 -0.090 1
1 1022 . 1 1 1 A 92 92 LEU HA H 92 4.707 4.693 0.014 1
1 1032 . 1 1 1 A 92 92 LEU C C 92 174.752 174.225 0.527 1
1 1033 . 1 1 1 A 92 92 LEU CA C 92 55.285 54.462 0.823 1
1 1034 . 1 1 1 A 92 92 LEU CB C 92 43.267 42.799 0.468 1
1 1038 . 1 1 1 A 92 92 LEU N N 92 123.888 125.047 -1.159 1
1 1039 . 1 1 1 A 93 93 TYR H H 93 9.289 9.357 -0.068 1
1 1040 . 1 1 1 A 93 93 TYR HA H 93 5.269 5.290 -0.021 1
1 1047 . 1 1 1 A 93 93 TYR C C 93 174.528 175.745 -1.217 1
1 1048 . 1 1 1 A 93 93 TYR CA C 93 56.505 56.929 -0.424 1
1 1049 . 1 1 1 A 93 93 TYR CB C 93 41.881 41.163 0.718 1
1 1054 . 1 1 1 A 93 93 TYR N N 93 126.872 127.634 -0.762 1
1 1055 . 1 1 1 A 94 94 LEU H H 94 9.551 9.187 0.364 1
1 1056 . 1 1 1 A 94 94 LEU HA H 94 5.869 5.510 0.359 1
1 1066 . 1 1 1 A 94 94 LEU C C 94 173.433 174.737 -1.304 1
1 1067 . 1 1 1 A 94 94 LEU CA C 94 54.131 53.482 0.649 1
1 1068 . 1 1 1 A 94 94 LEU CB C 94 46.320 45.627 0.693 1
1 1072 . 1 1 1 A 94 94 LEU N N 94 117.884 122.949 -5.065 1
1 1073 . 1 1 1 A 95 95 ARG H H 95 8.603 8.747 -0.144 1
1 1074 . 1 1 1 A 95 95 ARG HA H 95 4.707 4.818 -0.111 1
1 1082 . 1 1 1 A 95 95 ARG C C 95 174.605 174.475 0.130 1
1 1083 . 1 1 1 A 95 95 ARG CA C 95 53.795 53.729 0.066 1
1 1084 . 1 1 1 A 95 95 ARG CB C 95 33.468 33.388 0.080 1
1 1087 . 1 1 1 A 95 95 ARG N N 95 116.939 120.777 -3.838 1
1 1089 . 1 1 1 A 96 96 ALA H H 96 9.072 8.444 0.628 1
1 1090 . 1 1 1 A 96 96 ALA HA H 96 4.404 4.439 -0.035 1
1 1094 . 1 1 1 A 96 96 ALA C C 96 177.811 176.733 1.078 1
1 1095 . 1 1 1 A 96 96 ALA CA C 96 52.324 52.182 0.142 1
1 1096 . 1 1 1 A 96 96 ALA CB C 96 18.248 19.259 -1.011 1
1 1097 . 1 1 1 A 96 96 ALA N N 96 124.914 123.692 1.222 1
1 1098 . 1 1 1 A 97 97 LYS H H 97 7.989 8.188 -0.199 1
1 1099 . 1 1 1 A 97 97 LYS HA H 97 3.922 4.728 -0.806 1
1 1108 . 1 1 1 A 97 97 LYS C C 97 175.978 175.301 0.677 1
1 1109 . 1 1 1 A 97 97 LYS CA C 97 56.915 55.270 1.645 1
1 1110 . 1 1 1 A 97 97 LYS CB C 97 32.864 33.473 -0.609 1
1 1114 . 1 1 1 A 97 97 LYS N N 97 123.129 123.489 -0.360 1
1 1115 . 1 1 1 A 98 98 LEU H H 98 8.118 8.618 -0.500 1
1 1116 . 1 1 1 A 98 98 LEU HA H 98 4.321 5.055 -0.734 1
1 1126 . 1 1 1 A 98 98 LEU C C 98 176.592 176.620 -0.028 1
1 1127 . 1 1 1 A 98 98 LEU CA C 98 54.627 53.350 1.277 1
1 1128 . 1 1 1 A 98 98 LEU CB C 98 42.566 44.983 -2.417 1
1 1132 . 1 1 1 A 98 98 LEU N N 98 123.816 128.365 -4.549 1
1 1133 . 1 1 1 A 99 99 GLU H H 99 8.376 8.436 -0.060 1
1 1134 . 1 1 1 A 99 99 GLU C C 99 175.790 175.907 -0.117 1
1 1 . 2 1 1 A 5 5 SER H H 5 8.350 8.812 -0.462 1
1 2 . 2 1 1 A 5 5 SER N N 5 116.816 120.028 -3.212 1
1 3 . 2 1 1 A 9 9 GLN H H 9 8.479 8.539 -0.060 1
1 4 . 2 1 1 A 9 9 GLN N N 9 121.973 121.138 0.835 1
1 5 . 2 1 1 A 10 10 PRO HA H 10 4.392 4.657 -0.265 1
1 8 . 2 1 1 A 10 10 PRO C C 10 176.702 177.697 -0.995 1
1 9 . 2 1 1 A 10 10 PRO CA C 10 63.029 62.789 0.240 1
1 10 . 2 1 1 A 10 10 PRO CB C 10 32.056 31.932 0.124 1
1 11 . 2 1 1 A 11 11 ALA H H 11 8.421 8.707 -0.286 1
1 12 . 2 1 1 A 11 11 ALA HA H 11 4.254 4.045 0.209 1
1 16 . 2 1 1 A 11 11 ALA C C 11 177.592 178.832 -1.240 1
1 17 . 2 1 1 A 11 11 ALA CA C 11 52.405 54.553 -2.148 1
1 18 . 2 1 1 A 11 11 ALA CB C 11 19.242 18.218 1.024 1
1 19 . 2 1 1 A 11 11 ALA N N 11 124.566 127.426 -2.860 1
1 20 . 2 1 1 A 12 12 ALA H H 12 8.297 7.612 0.685 1
1 21 . 2 1 1 A 12 12 ALA HA H 12 4.278 4.255 0.023 1
1 25 . 2 1 1 A 12 12 ALA C C 12 177.607 177.739 -0.132 1
1 26 . 2 1 1 A 12 12 ALA CA C 12 52.402 52.799 -0.397 1
1 27 . 2 1 1 A 12 12 ALA CB C 12 19.397 19.148 0.249 1
1 28 . 2 1 1 A 12 12 ALA N N 12 123.470 119.433 4.037 1
1 29 . 2 1 1 A 13 13 GLN H H 13 8.302 7.891 0.411 1
1 30 . 2 1 1 A 13 13 GLN HA H 13 4.304 4.399 -0.095 1
1 33 . 2 1 1 A 13 13 GLN C C 13 175.344 175.241 0.103 1
1 34 . 2 1 1 A 13 13 GLN CA C 13 55.396 55.262 0.134 1
1 35 . 2 1 1 A 13 13 GLN CB C 13 29.738 29.484 0.254 1
1 36 . 2 1 1 A 13 13 GLN N N 13 119.718 117.827 1.891 1
1 37 . 2 1 1 A 14 14 ALA H H 14 8.405 8.529 -0.124 1
1 38 . 2 1 1 A 14 14 ALA HA H 14 4.580 4.559 0.021 1
1 42 . 2 1 1 A 14 14 ALA C C 14 175.619 175.870 -0.251 1
1 43 . 2 1 1 A 14 14 ALA CA C 14 50.607 50.829 -0.222 1
1 44 . 2 1 1 A 14 14 ALA CB C 14 18.031 18.312 -0.281 1
1 45 . 2 1 1 A 14 14 ALA N N 14 127.291 126.442 0.849 1
1 46 . 2 1 1 A 15 15 PRO HA H 15 4.399 4.538 -0.139 1
1 49 . 2 1 1 A 15 15 PRO C C 15 177.086 177.091 -0.005 1
1 50 . 2 1 1 A 15 15 PRO CA C 15 63.294 62.394 0.900 1
1 51 . 2 1 1 A 15 15 PRO CB C 15 31.988 32.013 -0.025 1
1 52 . 2 1 1 A 16 16 GLU H H 16 8.656 8.439 0.217 1
1 53 . 2 1 1 A 16 16 GLU HA H 16 4.306 4.318 -0.012 1
1 56 . 2 1 1 A 16 16 GLU C C 16 176.897 176.136 0.761 1
1 57 . 2 1 1 A 16 16 GLU CA C 16 56.771 56.551 0.220 1
1 58 . 2 1 1 A 16 16 GLU CB C 16 30.209 29.056 1.153 1
1 59 . 2 1 1 A 16 16 GLU N N 16 120.957 119.718 1.239 1
1 60 . 2 1 1 A 17 17 THR H H 17 8.202 8.346 -0.144 1
1 61 . 2 1 1 A 17 17 THR HA H 17 4.336 4.469 -0.133 1
1 66 . 2 1 1 A 17 17 THR C C 17 174.612 173.455 1.157 1
1 67 . 2 1 1 A 17 17 THR CA C 17 61.981 62.969 -0.988 1
1 68 . 2 1 1 A 17 17 THR CB C 17 69.928 68.390 1.538 1
1 70 . 2 1 1 A 17 17 THR N N 17 115.763 120.634 -4.871 1
1 71 . 2 1 1 A 18 18 LYS H H 18 8.373 8.637 -0.264 1
1 72 . 2 1 1 A 18 18 LYS HA H 18 4.365 4.921 -0.556 1
1 81 . 2 1 1 A 18 18 LYS C C 18 176.509 174.267 2.242 1
1 82 . 2 1 1 A 18 18 LYS CA C 18 56.348 54.697 1.651 1
1 83 . 2 1 1 A 18 18 LYS CB C 18 33.051 36.276 -3.225 1
1 87 . 2 1 1 A 18 18 LYS N N 18 123.975 128.145 -4.170 1
1 88 . 2 1 1 A 19 19 GLN H H 19 8.387 8.408 -0.021 1
1 89 . 2 1 1 A 19 19 GLN HA H 19 4.378 4.849 -0.471 1
1 96 . 2 1 1 A 19 19 GLN C C 19 175.630 175.073 0.557 1
1 97 . 2 1 1 A 19 19 GLN CA C 19 55.614 53.974 1.640 1
1 98 . 2 1 1 A 19 19 GLN CB C 19 29.749 30.647 -0.898 1
1 100 . 2 1 1 A 19 19 GLN N N 19 121.480 124.347 -2.867 1
1 102 . 2 1 1 A 20 20 ALA H H 20 8.505 8.676 -0.171 1
1 103 . 2 1 1 A 20 20 ALA HA H 20 4.449 5.030 -0.581 1
1 107 . 2 1 1 A 20 20 ALA C C 20 177.361 177.221 0.140 1
1 108 . 2 1 1 A 20 20 ALA CA C 20 52.165 50.405 1.760 1
1 109 . 2 1 1 A 20 20 ALA CB C 20 19.253 20.700 -1.447 1
1 110 . 2 1 1 A 20 20 ALA N N 20 125.974 123.153 2.821 1
1 111 . 2 1 1 A 21 21 PHE H H 21 8.851 8.893 -0.042 1
1 112 . 2 1 1 A 21 21 PHE HA H 21 4.422 4.655 -0.233 1
1 120 . 2 1 1 A 21 21 PHE C C 21 176.063 174.765 1.298 1
1 121 . 2 1 1 A 21 21 PHE CA C 21 56.142 57.701 -1.559 1
1 122 . 2 1 1 A 21 21 PHE CB C 21 39.867 39.160 0.707 1
1 128 . 2 1 1 A 21 21 PHE N N 21 124.486 122.365 2.121 1
1 129 . 2 1 1 A 22 22 PRO HA H 22 4.856 4.956 -0.100 1
1 136 . 2 1 1 A 22 22 PRO C C 22 174.848 177.235 -2.387 1
1 137 . 2 1 1 A 22 22 PRO CA C 22 62.078 62.253 -0.175 1
1 138 . 2 1 1 A 22 22 PRO CB C 22 28.563 30.391 -1.828 1
1 141 . 2 1 1 A 23 23 ARG H H 23 8.356 8.667 -0.311 1
1 142 . 2 1 1 A 23 23 ARG HA H 23 3.650 4.035 -0.385 1
1 149 . 2 1 1 A 23 23 ARG C C 23 176.762 178.472 -1.710 1
1 150 . 2 1 1 A 23 23 ARG CA C 23 60.448 58.390 2.058 1
1 151 . 2 1 1 A 23 23 ARG CB C 23 31.422 29.647 1.775 1
1 154 . 2 1 1 A 23 23 ARG N N 23 126.815 121.528 5.287 1
1 155 . 2 1 1 A 24 24 LYS H H 24 8.555 8.135 0.420 1
1 156 . 2 1 1 A 24 24 LYS HA H 24 3.926 3.996 -0.070 1
1 165 . 2 1 1 A 24 24 LYS C C 24 179.506 179.319 0.187 1
1 166 . 2 1 1 A 24 24 LYS CA C 24 59.888 59.327 0.561 1
1 167 . 2 1 1 A 24 24 LYS CB C 24 31.782 32.158 -0.376 1
1 171 . 2 1 1 A 24 24 LYS N N 24 116.573 119.440 -2.867 1
1 172 . 2 1 1 A 25 25 PHE H H 25 7.575 8.066 -0.491 1
1 173 . 2 1 1 A 25 25 PHE HA H 25 4.487 4.298 0.189 1
1 181 . 2 1 1 A 25 25 PHE C C 25 177.447 178.142 -0.695 1
1 182 . 2 1 1 A 25 25 PHE CA C 25 59.779 61.188 -1.409 1
1 183 . 2 1 1 A 25 25 PHE CB C 25 38.791 38.934 -0.143 1
1 189 . 2 1 1 A 25 25 PHE N N 25 118.123 119.304 -1.181 1
1 190 . 2 1 1 A 26 26 VAL H H 26 8.024 8.103 -0.079 1
1 191 . 2 1 1 A 26 26 VAL HA H 26 3.608 3.663 -0.055 1
1 199 . 2 1 1 A 26 26 VAL C C 26 177.770 178.237 -0.467 1
1 200 . 2 1 1 A 26 26 VAL CA C 26 66.473 66.891 -0.418 1
1 201 . 2 1 1 A 26 26 VAL CB C 26 31.408 31.596 -0.188 1
1 204 . 2 1 1 A 26 26 VAL N N 26 117.081 119.716 -2.635 1
1 205 . 2 1 1 A 27 27 LEU H H 27 8.220 8.525 -0.305 1
1 206 . 2 1 1 A 27 27 LEU HA H 27 4.234 4.110 0.124 1
1 216 . 2 1 1 A 27 27 LEU C C 27 180.010 179.512 0.498 1
1 217 . 2 1 1 A 27 27 LEU CA C 27 57.864 57.752 0.112 1
1 218 . 2 1 1 A 27 27 LEU CB C 27 40.488 40.704 -0.216 1
1 222 . 2 1 1 A 27 27 LEU N N 27 118.748 117.807 0.941 1
1 223 . 2 1 1 A 28 28 ALA H H 28 8.014 7.948 0.066 1
1 224 . 2 1 1 A 28 28 ALA HA H 28 4.289 4.152 0.137 1
1 228 . 2 1 1 A 28 28 ALA C C 28 179.951 179.464 0.487 1
1 229 . 2 1 1 A 28 28 ALA CA C 28 55.110 55.507 -0.397 1
1 230 . 2 1 1 A 28 28 ALA CB C 28 17.970 17.659 0.311 1
1 231 . 2 1 1 A 28 28 ALA N N 28 124.088 122.395 1.693 1
1 232 . 2 1 1 A 29 29 ALA H H 29 8.259 8.287 -0.028 1
1 233 . 2 1 1 A 29 29 ALA HA H 29 3.942 4.534 -0.592 1
1 237 . 2 1 1 A 29 29 ALA C C 29 180.505 180.242 0.263 1
1 238 . 2 1 1 A 29 29 ALA CA C 29 54.976 55.337 -0.361 1
1 239 . 2 1 1 A 29 29 ALA CB C 29 17.923 18.217 -0.294 1
1 240 . 2 1 1 A 29 29 ALA N N 29 120.431 121.277 -0.846 1
1 241 . 2 1 1 A 30 30 LEU H H 30 8.098 8.302 -0.204 1
1 242 . 2 1 1 A 30 30 LEU HA H 30 4.007 4.202 -0.195 1
1 252 . 2 1 1 A 30 30 LEU C C 30 178.315 178.318 -0.003 1
1 253 . 2 1 1 A 30 30 LEU CA C 30 58.096 58.171 -0.075 1
1 254 . 2 1 1 A 30 30 LEU CB C 30 41.486 41.785 -0.299 1
1 258 . 2 1 1 A 30 30 LEU N N 30 120.849 120.862 -0.013 1
1 259 . 2 1 1 A 31 31 GLU H H 31 8.115 8.532 -0.417 1
1 260 . 2 1 1 A 31 31 GLU HA H 31 3.967 4.002 -0.035 1
1 265 . 2 1 1 A 31 31 GLU C C 31 179.473 177.931 1.542 1
1 266 . 2 1 1 A 31 31 GLU CA C 31 59.683 59.200 0.483 1
1 267 . 2 1 1 A 31 31 GLU CB C 31 29.402 29.165 0.237 1
1 269 . 2 1 1 A 31 31 GLU N N 31 120.752 117.434 3.318 1
1 270 . 2 1 1 A 32 32 GLN H H 32 7.812 7.794 0.018 1
1 271 . 2 1 1 A 32 32 GLN HA H 32 4.001 4.090 -0.089 1
1 278 . 2 1 1 A 32 32 GLN C C 32 176.519 176.024 0.495 1
1 279 . 2 1 1 A 32 32 GLN CA C 32 57.576 57.967 -0.391 1
1 280 . 2 1 1 A 32 32 GLN CB C 32 29.108 28.614 0.494 1
1 282 . 2 1 1 A 32 32 GLN N N 32 114.711 119.028 -4.317 1
1 284 . 2 1 1 A 33 33 SER H H 33 7.460 7.895 -0.435 1
1 285 . 2 1 1 A 33 33 SER HA H 33 4.257 4.538 -0.281 1
1 288 . 2 1 1 A 33 33 SER C C 33 174.508 173.997 0.511 1
1 289 . 2 1 1 A 33 33 SER CA C 33 58.504 57.290 1.214 1
1 290 . 2 1 1 A 33 33 SER CB C 33 65.131 63.622 1.509 1
1 291 . 2 1 1 A 33 33 SER N N 33 110.604 114.775 -4.171 1
1 292 . 2 1 1 A 34 34 SER H H 34 7.429 7.514 -0.085 1
1 293 . 2 1 1 A 34 34 SER HA H 34 4.468 4.984 -0.516 1
1 296 . 2 1 1 A 34 34 SER C C 34 174.588 174.320 0.268 1
1 297 . 2 1 1 A 34 34 SER CA C 34 58.556 57.899 0.657 1
1 298 . 2 1 1 A 34 34 SER CB C 34 65.278 64.716 0.562 1
1 299 . 2 1 1 A 34 34 SER N N 34 117.544 117.216 0.328 1
1 300 . 2 1 1 A 35 35 ASP H H 35 8.822 9.137 -0.315 1
1 301 . 2 1 1 A 35 35 ASP HA H 35 4.778 4.735 0.043 1
1 304 . 2 1 1 A 35 35 ASP C C 35 178.268 177.387 0.881 1
1 305 . 2 1 1 A 35 35 ASP CA C 35 52.849 54.397 -1.548 1
1 306 . 2 1 1 A 35 35 ASP CB C 35 41.314 41.930 -0.616 1
1 307 . 2 1 1 A 35 35 ASP N N 35 121.575 123.066 -1.491 1
1 308 . 2 1 1 A 36 36 ASP H H 36 8.483 9.051 -0.568 1
1 309 . 2 1 1 A 36 36 ASP HA H 36 4.414 4.300 0.114 1
1 312 . 2 1 1 A 36 36 ASP C C 36 176.670 177.226 -0.556 1
1 313 . 2 1 1 A 36 36 ASP CA C 36 56.605 57.828 -1.223 1
1 314 . 2 1 1 A 36 36 ASP CB C 36 40.286 40.608 -0.322 1
1 315 . 2 1 1 A 36 36 ASP N N 36 117.398 122.898 -5.500 1
1 316 . 2 1 1 A 37 37 ALA H H 37 8.242 7.549 0.693 1
1 317 . 2 1 1 A 37 37 ALA HA H 37 4.532 4.414 0.118 1
1 321 . 2 1 1 A 37 37 ALA C C 37 177.407 177.695 -0.288 1
1 322 . 2 1 1 A 37 37 ALA CA C 37 51.677 52.072 -0.395 1
1 323 . 2 1 1 A 37 37 ALA CB C 37 19.774 19.558 0.216 1
1 324 . 2 1 1 A 37 37 ALA N N 37 122.052 118.283 3.769 1
1 325 . 2 1 1 A 38 38 GLY H H 38 8.155 8.692 -0.537 1
1 326 . 2 1 1 A 38 38 GLY HA2 H 38 3.624 3.803 -0.179 1
1 327 . 2 1 1 A 38 38 GLY HA3 H 38 4.080 3.887 0.193 1
1 328 . 2 1 1 A 38 38 GLY C C 38 173.417 174.017 -0.600 1
1 329 . 2 1 1 A 38 38 GLY CA C 38 45.093 46.396 -1.303 1
1 330 . 2 1 1 A 38 38 GLY N N 38 107.721 106.378 1.343 1
1 331 . 2 1 1 A 39 39 TRP H H 39 8.449 7.913 0.536 1
1 332 . 2 1 1 A 39 39 TRP HA H 39 5.054 5.171 -0.117 1
1 341 . 2 1 1 A 39 39 TRP C C 39 176.577 175.299 1.278 1
1 342 . 2 1 1 A 39 39 TRP CA C 39 56.596 55.536 1.060 1
1 343 . 2 1 1 A 39 39 TRP CB C 39 32.184 32.807 -0.623 1
1 349 . 2 1 1 A 39 39 TRP N N 39 119.797 119.697 0.100 1
1 351 . 2 1 1 A 40 40 ALA H H 40 9.855 9.110 0.745 1
1 352 . 2 1 1 A 40 40 ALA HA H 40 5.099 5.336 -0.237 1
1 356 . 2 1 1 A 40 40 ALA C C 40 176.165 176.259 -0.094 1
1 357 . 2 1 1 A 40 40 ALA CA C 40 50.202 50.212 -0.010 1
1 358 . 2 1 1 A 40 40 ALA CB C 40 23.153 21.662 1.491 1
1 359 . 2 1 1 A 40 40 ALA N N 40 124.618 126.885 -2.267 1
1 360 . 2 1 1 A 41 41 ASN H H 41 8.794 8.621 0.173 1
1 361 . 2 1 1 A 41 41 ASN HA H 41 3.771 4.218 -0.447 1
1 366 . 2 1 1 A 41 41 ASN C C 41 175.824 176.550 -0.726 1
1 367 . 2 1 1 A 41 41 ASN CA C 41 52.724 53.134 -0.410 1
1 368 . 2 1 1 A 41 41 ASN CB C 41 39.927 39.672 0.255 1
1 369 . 2 1 1 A 41 41 ASN N N 41 121.050 121.194 -0.144 1
1 371 . 2 1 1 A 42 42 LEU H H 42 8.493 8.722 -0.229 1
1 372 . 2 1 1 A 42 42 LEU HA H 42 3.834 4.106 -0.272 1
1 382 . 2 1 1 A 42 42 LEU C C 42 178.256 178.776 -0.520 1
1 383 . 2 1 1 A 42 42 LEU CA C 42 58.859 58.310 0.549 1
1 384 . 2 1 1 A 42 42 LEU CB C 42 42.233 41.806 0.427 1
1 388 . 2 1 1 A 42 42 LEU N N 42 126.418 129.398 -2.980 1
1 389 . 2 1 1 A 43 43 GLY H H 43 8.440 8.330 0.110 1
1 390 . 2 1 1 A 43 43 GLY HA2 H 43 3.912 3.788 0.124 1
1 391 . 2 1 1 A 43 43 GLY HA3 H 43 3.822 3.797 0.025 1
1 392 . 2 1 1 A 43 43 GLY C C 43 176.344 175.957 0.387 1
1 393 . 2 1 1 A 43 43 GLY CA C 43 47.070 47.213 -0.143 1
1 394 . 2 1 1 A 43 43 GLY N N 43 106.800 106.816 -0.016 1
1 395 . 2 1 1 A 44 44 ASN H H 44 7.916 7.925 -0.009 1
1 396 . 2 1 1 A 44 44 ASN HA H 44 4.472 4.488 -0.016 1
1 401 . 2 1 1 A 44 44 ASN C C 44 177.888 178.063 -0.175 1
1 402 . 2 1 1 A 44 44 ASN CA C 44 56.004 55.977 0.027 1
1 403 . 2 1 1 A 44 44 ASN CB C 44 38.316 37.716 0.600 1
1 404 . 2 1 1 A 44 44 ASN N N 44 121.472 119.953 1.519 1
1 406 . 2 1 1 A 45 45 PHE H H 45 8.563 8.463 0.100 1
1 407 . 2 1 1 A 45 45 PHE HA H 45 4.498 4.389 0.109 1
1 415 . 2 1 1 A 45 45 PHE C C 45 176.732 178.013 -1.281 1
1 416 . 2 1 1 A 45 45 PHE CA C 45 60.350 59.944 0.406 1
1 417 . 2 1 1 A 45 45 PHE CB C 45 38.824 38.832 -0.008 1
1 423 . 2 1 1 A 45 45 PHE N N 45 121.835 122.177 -0.342 1
1 424 . 2 1 1 A 46 46 GLY H H 46 8.933 8.960 -0.027 1
1 425 . 2 1 1 A 46 46 GLY HA2 H 46 3.820 3.323 0.497 1
1 426 . 2 1 1 A 46 46 GLY HA3 H 46 3.186 3.565 -0.379 1
1 427 . 2 1 1 A 46 46 GLY C C 46 176.053 175.506 0.547 1
1 428 . 2 1 1 A 46 46 GLY CA C 46 47.171 46.919 0.252 1
1 429 . 2 1 1 A 46 46 GLY N N 46 106.269 106.426 -0.157 1
1 430 . 2 1 1 A 47 47 ASN H H 47 7.812 8.254 -0.442 1
1 431 . 2 1 1 A 47 47 ASN HA H 47 4.470 4.400 0.070 1
1 436 . 2 1 1 A 47 47 ASN C C 47 178.087 177.329 0.758 1
1 437 . 2 1 1 A 47 47 ASN CA C 47 55.974 56.215 -0.241 1
1 438 . 2 1 1 A 47 47 ASN CB C 47 38.149 39.171 -1.022 1
1 439 . 2 1 1 A 47 47 ASN N N 47 120.030 119.692 0.338 1
1 441 . 2 1 1 A 48 48 TYR H H 48 8.093 8.229 -0.136 1
1 442 . 2 1 1 A 48 48 TYR HA H 48 4.007 4.176 -0.169 1
1 449 . 2 1 1 A 48 48 TYR C C 48 178.310 177.540 0.770 1
1 450 . 2 1 1 A 48 48 TYR CA C 48 62.527 61.065 1.462 1
1 451 . 2 1 1 A 48 48 TYR CB C 48 38.254 38.892 -0.638 1
1 456 . 2 1 1 A 48 48 TYR N N 48 121.030 120.117 0.913 1
1 457 . 2 1 1 A 49 49 LEU H H 49 8.480 8.375 0.105 1
1 458 . 2 1 1 A 49 49 LEU HA H 49 3.624 3.934 -0.310 1
1 468 . 2 1 1 A 49 49 LEU C C 49 177.653 178.427 -0.774 1
1 469 . 2 1 1 A 49 49 LEU CA C 49 58.321 58.107 0.214 1
1 470 . 2 1 1 A 49 49 LEU CB C 49 41.046 41.187 -0.141 1
1 474 . 2 1 1 A 49 49 LEU N N 49 121.024 121.120 -0.096 1
1 475 . 2 1 1 A 50 50 ASN H H 50 7.564 7.703 -0.139 1
1 476 . 2 1 1 A 50 50 ASN HA H 50 4.493 4.530 -0.037 1
1 481 . 2 1 1 A 50 50 ASN C C 50 176.498 177.549 -1.051 1
1 482 . 2 1 1 A 50 50 ASN CA C 50 55.479 55.583 -0.104 1
1 483 . 2 1 1 A 50 50 ASN CB C 50 39.302 39.181 0.121 1
1 484 . 2 1 1 A 50 50 ASN N N 50 114.582 116.646 -2.064 1
1 486 . 2 1 1 A 51 51 LYS H H 51 7.370 7.812 -0.442 1
1 487 . 2 1 1 A 51 51 LYS HA H 51 3.990 3.913 0.077 1
1 496 . 2 1 1 A 51 51 LYS C C 51 178.403 178.824 -0.421 1
1 497 . 2 1 1 A 51 51 LYS CA C 51 58.512 59.567 -1.055 1
1 498 . 2 1 1 A 51 51 LYS CB C 51 32.245 32.206 0.039 1
1 502 . 2 1 1 A 51 51 LYS N N 51 118.289 118.547 -0.258 1
1 503 . 2 1 1 A 52 52 LEU H H 52 7.518 7.354 0.164 1
1 504 . 2 1 1 A 52 52 LEU HA H 52 4.085 4.153 -0.068 1
1 514 . 2 1 1 A 52 52 LEU C C 52 177.924 176.722 1.202 1
1 515 . 2 1 1 A 52 52 LEU CA C 52 56.424 56.323 0.101 1
1 516 . 2 1 1 A 52 52 LEU CB C 52 42.952 43.624 -0.672 1
1 520 . 2 1 1 A 52 52 LEU N N 52 117.841 118.575 -0.734 1
1 521 . 2 1 1 A 53 53 GLN H H 53 8.438 7.918 0.520 1
1 522 . 2 1 1 A 53 53 GLN HA H 53 4.583 4.707 -0.124 1
1 529 . 2 1 1 A 53 53 GLN C C 53 172.039 174.180 -2.141 1
1 530 . 2 1 1 A 53 53 GLN CA C 53 52.780 53.649 -0.869 1
1 531 . 2 1 1 A 53 53 GLN CB C 53 29.902 29.015 0.887 1
1 533 . 2 1 1 A 53 53 GLN N N 53 118.578 118.141 0.437 1
1 535 . 2 1 1 A 54 54 PRO HA H 54 4.718 4.436 0.282 1
1 542 . 2 1 1 A 54 54 PRO C C 54 177.295 177.459 -0.164 1
1 543 . 2 1 1 A 54 54 PRO CA C 54 64.754 64.478 0.276 1
1 544 . 2 1 1 A 54 54 PRO CB C 54 31.924 31.987 -0.063 1
1 547 . 2 1 1 A 55 55 ASP H H 55 8.349 8.404 -0.055 1
1 548 . 2 1 1 A 55 55 ASP HA H 55 4.596 4.501 0.095 1
1 551 . 2 1 1 A 55 55 ASP C C 55 176.361 176.392 -0.031 1
1 552 . 2 1 1 A 55 55 ASP CA C 55 53.467 55.721 -2.254 1
1 553 . 2 1 1 A 55 55 ASP CB C 55 40.050 40.373 -0.323 1
1 554 . 2 1 1 A 55 55 ASP N N 55 114.766 116.727 -1.961 1
1 555 . 2 1 1 A 56 56 PHE H H 56 8.187 7.654 0.533 1
1 556 . 2 1 1 A 56 56 PHE HA H 56 4.055 4.929 -0.874 1
1 564 . 2 1 1 A 56 56 PHE C C 56 175.257 174.086 1.171 1
1 565 . 2 1 1 A 56 56 PHE CA C 56 61.149 56.506 4.643 1
1 566 . 2 1 1 A 56 56 PHE CB C 56 38.680 39.243 -0.563 1
1 572 . 2 1 1 A 56 56 PHE N N 56 122.323 120.952 1.371 1
1 573 . 2 1 1 A 57 57 ASP H H 57 6.887 8.635 -1.748 1
1 574 . 2 1 1 A 57 57 ASP HA H 57 4.670 5.028 -0.358 1
1 577 . 2 1 1 A 57 57 ASP C C 57 176.308 176.264 0.044 1
1 578 . 2 1 1 A 57 57 ASP CA C 57 52.895 52.599 0.296 1
1 579 . 2 1 1 A 57 57 ASP CB C 57 42.942 43.446 -0.504 1
1 580 . 2 1 1 A 57 57 ASP N N 57 127.342 128.528 -1.186 1
1 581 . 2 1 1 A 58 58 SER H H 58 9.284 9.042 0.242 1
1 582 . 2 1 1 A 58 58 SER HA H 58 3.991 4.063 -0.072 1
1 585 . 2 1 1 A 58 58 SER C C 58 176.248 176.882 -0.634 1
1 586 . 2 1 1 A 58 58 SER CA C 58 63.050 61.701 1.349 1
1 587 . 2 1 1 A 58 58 SER CB C 58 63.339 63.172 0.167 1
1 588 . 2 1 1 A 58 58 SER N N 58 123.478 121.629 1.849 1
1 589 . 2 1 1 A 59 59 ARG H H 59 8.639 7.898 0.741 1
1 590 . 2 1 1 A 59 59 ARG HA H 59 4.073 4.519 -0.446 1
1 597 . 2 1 1 A 59 59 ARG C C 59 180.693 178.755 1.938 1
1 598 . 2 1 1 A 59 59 ARG CA C 59 58.787 59.001 -0.214 1
1 599 . 2 1 1 A 59 59 ARG CB C 59 29.824 29.929 -0.105 1
1 602 . 2 1 1 A 59 59 ARG N N 59 123.207 122.208 0.999 1
1 603 . 2 1 1 A 60 60 LEU H H 60 7.460 8.014 -0.554 1
1 604 . 2 1 1 A 60 60 LEU HA H 60 3.841 3.908 -0.067 1
1 614 . 2 1 1 A 60 60 LEU C C 60 177.018 177.686 -0.668 1
1 615 . 2 1 1 A 60 60 LEU CA C 60 56.556 57.726 -1.170 1
1 616 . 2 1 1 A 60 60 LEU CB C 60 41.013 41.357 -0.344 1
1 620 . 2 1 1 A 60 60 LEU N N 60 120.191 119.258 0.933 1
1 621 . 2 1 1 A 61 61 TYR H H 61 7.200 7.646 -0.446 1
1 622 . 2 1 1 A 61 61 TYR HA H 61 4.781 4.605 0.176 1
1 629 . 2 1 1 A 61 61 TYR C C 61 175.303 176.104 -0.801 1
1 630 . 2 1 1 A 61 61 TYR CA C 61 56.371 57.862 -1.491 1
1 631 . 2 1 1 A 61 61 TYR CB C 61 38.825 38.648 0.177 1
1 636 . 2 1 1 A 61 61 TYR N N 61 114.720 115.878 -1.158 1
1 637 . 2 1 1 A 62 62 GLY H H 62 7.354 7.924 -0.570 1
1 638 . 2 1 1 A 62 62 GLY HA2 H 62 3.968 3.892 0.076 1
1 639 . 2 1 1 A 62 62 GLY HA3 H 62 3.552 3.918 -0.366 1
1 640 . 2 1 1 A 62 62 GLY C C 62 173.542 174.093 -0.551 1
1 641 . 2 1 1 A 62 62 GLY CA C 62 44.889 45.966 -1.077 1
1 642 . 2 1 1 A 62 62 GLY N N 62 104.100 109.072 -4.972 1
1 643 . 2 1 1 A 63 63 TYR H H 63 7.377 7.861 -0.484 1
1 644 . 2 1 1 A 63 63 TYR HA H 63 4.937 4.704 0.233 1
1 651 . 2 1 1 A 63 63 TYR C C 63 175.675 176.017 -0.342 1
1 652 . 2 1 1 A 63 63 TYR CA C 63 56.902 57.831 -0.929 1
1 653 . 2 1 1 A 63 63 TYR CB C 63 42.609 40.581 2.028 1
1 658 . 2 1 1 A 63 63 TYR N N 63 117.874 119.577 -1.703 1
1 659 . 2 1 1 A 64 64 LYS H H 64 9.403 9.009 0.394 1
1 660 . 2 1 1 A 64 64 LYS HA H 64 3.914 4.343 -0.429 1
1 669 . 2 1 1 A 64 64 LYS C C 64 176.334 176.844 -0.510 1
1 670 . 2 1 1 A 64 64 LYS CA C 64 59.534 57.571 1.963 1
1 671 . 2 1 1 A 64 64 LYS CB C 64 32.892 33.246 -0.354 1
1 675 . 2 1 1 A 64 64 LYS N N 64 123.946 122.323 1.623 1
1 676 . 2 1 1 A 65 65 LYS H H 65 7.635 7.615 0.020 1
1 677 . 2 1 1 A 65 65 LYS HA H 65 4.787 4.682 0.105 1
1 686 . 2 1 1 A 65 65 LYS C C 65 177.231 176.641 0.590 1
1 687 . 2 1 1 A 65 65 LYS CA C 65 54.089 54.977 -0.888 1
1 688 . 2 1 1 A 65 65 LYS CB C 65 35.722 34.219 1.503 1
1 692 . 2 1 1 A 65 65 LYS N N 65 112.461 115.036 -2.575 1
1 693 . 2 1 1 A 66 66 LEU H H 66 9.090 8.584 0.506 1
1 694 . 2 1 1 A 66 66 LEU HA H 66 4.240 4.109 0.131 1
1 704 . 2 1 1 A 66 66 LEU C C 66 178.820 178.440 0.380 1
1 705 . 2 1 1 A 66 66 LEU CA C 66 58.129 58.226 -0.097 1
1 706 . 2 1 1 A 66 66 LEU CB C 66 41.476 41.334 0.142 1
1 710 . 2 1 1 A 66 66 LEU N N 66 124.584 121.019 3.565 1
1 711 . 2 1 1 A 67 67 SER H H 67 8.867 8.355 0.512 1
1 712 . 2 1 1 A 67 67 SER HA H 67 3.697 4.195 -0.498 1
1 715 . 2 1 1 A 67 67 SER C C 67 175.588 175.687 -0.099 1
1 716 . 2 1 1 A 67 67 SER CA C 67 61.518 61.272 0.246 1
1 717 . 2 1 1 A 67 67 SER CB C 67 61.537 62.771 -1.234 1
1 718 . 2 1 1 A 67 67 SER N N 67 112.095 114.721 -2.626 1
1 719 . 2 1 1 A 68 68 ASP H H 68 6.783 8.371 -1.588 1
1 720 . 2 1 1 A 68 68 ASP HA H 68 4.356 4.428 -0.072 1
1 723 . 2 1 1 A 68 68 ASP C C 68 177.827 178.483 -0.656 1
1 724 . 2 1 1 A 68 68 ASP CA C 68 57.170 57.875 -0.705 1
1 725 . 2 1 1 A 68 68 ASP CB C 68 41.380 41.645 -0.265 1
1 726 . 2 1 1 A 68 68 ASP N N 68 119.720 121.563 -1.843 1
1 727 . 2 1 1 A 69 69 LEU H H 69 7.153 7.493 -0.340 1
1 728 . 2 1 1 A 69 69 LEU HA H 69 2.561 3.319 -0.758 1
1 738 . 2 1 1 A 69 69 LEU C C 69 177.830 178.608 -0.778 1
1 739 . 2 1 1 A 69 69 LEU CA C 69 58.843 57.645 1.198 1
1 740 . 2 1 1 A 69 69 LEU CB C 69 42.203 41.412 0.791 1
1 744 . 2 1 1 A 69 69 LEU N N 69 122.181 119.891 2.290 1
1 745 . 2 1 1 A 70 70 VAL H H 70 8.167 8.360 -0.193 1
1 746 . 2 1 1 A 70 70 VAL HA H 70 3.509 3.697 -0.188 1
1 754 . 2 1 1 A 70 70 VAL C C 70 177.695 178.031 -0.336 1
1 755 . 2 1 1 A 70 70 VAL CA C 70 65.582 67.093 -1.511 1
1 756 . 2 1 1 A 70 70 VAL CB C 70 31.409 31.618 -0.209 1
1 759 . 2 1 1 A 70 70 VAL N N 70 116.117 119.228 -3.111 1
1 760 . 2 1 1 A 71 71 LYS H H 71 7.665 8.469 -0.804 1
1 761 . 2 1 1 A 71 71 LYS HA H 71 3.854 4.148 -0.294 1
1 770 . 2 1 1 A 71 71 LYS C C 71 177.406 178.748 -1.342 1
1 771 . 2 1 1 A 71 71 LYS CA C 71 59.175 58.830 0.345 1
1 772 . 2 1 1 A 71 71 LYS CB C 71 32.804 31.439 1.365 1
1 776 . 2 1 1 A 71 71 LYS N N 71 116.326 120.215 -3.889 1
1 777 . 2 1 1 A 72 72 ALA H H 72 7.506 7.345 0.161 1
1 778 . 2 1 1 A 72 72 ALA HA H 72 4.391 4.309 0.082 1
1 782 . 2 1 1 A 72 72 ALA C C 72 180.756 178.722 2.034 1
1 783 . 2 1 1 A 72 72 ALA CA C 72 53.691 54.852 -1.161 1
1 784 . 2 1 1 A 72 72 ALA CB C 72 20.243 18.784 1.459 1
1 785 . 2 1 1 A 72 72 ALA N N 72 118.313 121.790 -3.477 1
1 786 . 2 1 1 A 73 73 ARG H H 73 7.603 7.809 -0.206 1
1 787 . 2 1 1 A 73 73 ARG HA H 73 4.872 4.604 0.268 1
1 795 . 2 1 1 A 73 73 ARG C C 73 177.558 176.825 0.733 1
1 796 . 2 1 1 A 73 73 ARG CA C 73 51.230 54.866 -3.636 1
1 797 . 2 1 1 A 73 73 ARG CB C 73 25.568 28.125 -2.557 1
1 800 . 2 1 1 A 73 73 ARG N N 73 118.690 116.393 2.297 1
1 802 . 2 1 1 A 74 74 THR H H 74 8.261 7.682 0.579 1
1 803 . 2 1 1 A 74 74 THR HA H 74 4.552 4.450 0.102 1
1 808 . 2 1 1 A 74 74 THR C C 74 174.706 175.917 -1.211 1
1 809 . 2 1 1 A 74 74 THR CA C 74 62.876 64.740 -1.864 1
1 810 . 2 1 1 A 74 74 THR CB C 74 68.716 68.334 0.382 1
1 812 . 2 1 1 A 74 74 THR N N 74 115.950 113.322 2.628 1
1 813 . 2 1 1 A 75 75 ASP H H 75 9.542 8.283 1.259 1
1 814 . 2 1 1 A 75 75 ASP HA H 75 4.310 4.230 0.080 1
1 817 . 2 1 1 A 75 75 ASP C C 75 175.958 177.441 -1.483 1
1 818 . 2 1 1 A 75 75 ASP CA C 75 54.476 57.417 -2.941 1
1 819 . 2 1 1 A 75 75 ASP CB C 75 38.969 41.408 -2.439 1
1 820 . 2 1 1 A 75 75 ASP N N 75 116.582 121.530 -4.948 1
1 821 . 2 1 1 A 76 76 LEU H H 76 7.078 7.373 -0.295 1
1 822 . 2 1 1 A 76 76 LEU HA H 76 4.225 4.067 0.158 1
1 832 . 2 1 1 A 76 76 LEU C C 76 177.244 176.193 1.051 1
1 833 . 2 1 1 A 76 76 LEU CA C 76 55.349 55.664 -0.315 1
1 834 . 2 1 1 A 76 76 LEU CB C 76 43.508 43.172 0.336 1
1 838 . 2 1 1 A 76 76 LEU N N 76 117.639 117.135 0.504 1
1 839 . 2 1 1 A 77 77 PHE H H 77 7.977 7.613 0.364 1
1 840 . 2 1 1 A 77 77 PHE HA H 77 5.648 5.099 0.549 1
1 848 . 2 1 1 A 77 77 PHE C C 77 175.868 174.370 1.498 1
1 849 . 2 1 1 A 77 77 PHE CA C 77 54.878 56.277 -1.399 1
1 850 . 2 1 1 A 77 77 PHE CB C 77 42.833 42.133 0.700 1
1 856 . 2 1 1 A 77 77 PHE N N 77 115.989 115.434 0.555 1
1 857 . 2 1 1 A 78 78 VAL H H 78 8.863 9.150 -0.287 1
1 858 . 2 1 1 A 78 78 VAL HA H 78 4.425 4.547 -0.122 1
1 866 . 2 1 1 A 78 78 VAL C C 78 175.288 175.621 -0.333 1
1 867 . 2 1 1 A 78 78 VAL CA C 78 61.575 61.797 -0.222 1
1 868 . 2 1 1 A 78 78 VAL CB C 78 33.988 32.380 1.608 1
1 871 . 2 1 1 A 78 78 VAL N N 78 123.339 123.315 0.024 1
1 872 . 2 1 1 A 79 79 THR H H 79 8.305 9.090 -0.785 1
1 873 . 2 1 1 A 79 79 THR HA H 79 5.882 5.548 0.334 1
1 878 . 2 1 1 A 79 79 THR C C 79 174.566 173.835 0.731 1
1 879 . 2 1 1 A 79 79 THR CA C 79 59.476 60.529 -1.053 1
1 880 . 2 1 1 A 79 79 THR CB C 79 73.090 70.924 2.166 1
1 882 . 2 1 1 A 79 79 THR N N 79 113.057 119.611 -6.554 1
1 883 . 2 1 1 A 80 80 GLU H H 80 8.962 8.856 0.106 1
1 884 . 2 1 1 A 80 80 GLU HA H 80 4.589 5.042 -0.453 1
1 889 . 2 1 1 A 80 80 GLU C C 80 174.040 175.725 -1.685 1
1 890 . 2 1 1 A 80 80 GLU CA C 80 55.878 54.945 0.933 1
1 891 . 2 1 1 A 80 80 GLU CB C 80 33.399 33.343 0.056 1
1 893 . 2 1 1 A 80 80 GLU N N 80 117.934 122.516 -4.582 1
1 894 . 2 1 1 A 81 81 GLU H H 81 8.687 8.913 -0.226 1
1 895 . 2 1 1 A 81 81 GLU HA H 81 5.213 4.813 0.400 1
1 900 . 2 1 1 A 81 81 GLU C C 81 176.406 175.823 0.583 1
1 901 . 2 1 1 A 81 81 GLU CA C 81 55.186 56.372 -1.186 1
1 902 . 2 1 1 A 81 81 GLU CB C 81 31.544 30.634 0.910 1
1 904 . 2 1 1 A 81 81 GLU N N 81 122.400 124.072 -1.672 1
1 905 . 2 1 1 A 82 82 ARG H H 82 9.118 9.216 -0.098 1
1 906 . 2 1 1 A 82 82 ARG HA H 82 4.635 4.753 -0.118 1
1 914 . 2 1 1 A 82 82 ARG C C 82 175.222 174.942 0.280 1
1 915 . 2 1 1 A 82 82 ARG CA C 82 54.746 54.500 0.246 1
1 916 . 2 1 1 A 82 82 ARG CB C 82 33.719 33.498 0.221 1
1 919 . 2 1 1 A 82 82 ARG N N 82 121.851 124.135 -2.284 1
1 921 . 2 1 1 A 83 83 GLN H H 83 8.642 8.607 0.035 1
1 922 . 2 1 1 A 83 83 GLN HA H 83 4.340 4.583 -0.243 1
1 927 . 2 1 1 A 83 83 GLN C C 83 175.705 175.580 0.125 1
1 928 . 2 1 1 A 83 83 GLN CA C 83 56.094 55.996 0.098 1
1 929 . 2 1 1 A 83 83 GLN CB C 83 29.424 29.817 -0.393 1
1 931 . 2 1 1 A 83 83 GLN N N 83 121.976 123.108 -1.132 1
1 932 . 2 1 1 A 84 84 VAL H H 84 8.818 8.446 0.372 1
1 933 . 2 1 1 A 84 84 VAL HA H 84 4.399 4.501 -0.102 1
1 941 . 2 1 1 A 84 84 VAL C C 84 174.439 174.535 -0.096 1
1 942 . 2 1 1 A 84 84 VAL CA C 84 59.977 59.390 0.587 1
1 943 . 2 1 1 A 84 84 VAL CB C 84 32.948 32.104 0.844 1
1 946 . 2 1 1 A 84 84 VAL N N 84 128.548 126.216 2.332 1
1 947 . 2 1 1 A 85 85 PRO HA H 85 4.313 4.268 0.045 1
1 954 . 2 1 1 A 85 85 PRO C C 85 178.026 177.221 0.805 1
1 955 . 2 1 1 A 85 85 PRO CA C 85 64.139 64.278 -0.139 1
1 956 . 2 1 1 A 85 85 PRO CB C 85 31.744 31.430 0.314 1
1 959 . 2 1 1 A 86 86 GLY H H 86 8.815 8.758 0.057 1
1 960 . 2 1 1 A 86 86 GLY HA2 H 86 3.751 3.895 -0.144 1
1 961 . 2 1 1 A 86 86 GLY HA3 H 86 4.148 3.897 0.251 1
1 962 . 2 1 1 A 86 86 GLY C C 86 173.673 173.464 0.209 1
1 963 . 2 1 1 A 86 86 GLY CA C 86 45.661 45.217 0.444 1
1 964 . 2 1 1 A 86 86 GLY N N 86 111.839 113.373 -1.534 1
1 965 . 2 1 1 A 87 87 SER H H 87 8.029 7.842 0.187 1
1 966 . 2 1 1 A 87 87 SER HA H 87 4.955 4.744 0.211 1
1 969 . 2 1 1 A 87 87 SER C C 87 174.293 174.047 0.246 1
1 970 . 2 1 1 A 87 87 SER CA C 87 56.119 57.608 -1.489 1
1 971 . 2 1 1 A 87 87 SER CB C 87 65.288 65.469 -0.181 1
1 972 . 2 1 1 A 87 87 SER N N 87 114.255 116.869 -2.614 1
1 973 . 2 1 1 A 88 88 THR H H 88 8.366 8.424 -0.058 1
1 974 . 2 1 1 A 88 88 THR HA H 88 4.438 4.400 0.038 1
1 979 . 2 1 1 A 88 88 THR C C 88 175.360 174.157 1.203 1
1 980 . 2 1 1 A 88 88 THR CA C 88 62.103 63.146 -1.043 1
1 981 . 2 1 1 A 88 88 THR CB C 88 69.017 69.520 -0.503 1
1 983 . 2 1 1 A 88 88 THR N N 88 112.921 119.071 -6.150 1
1 984 . 2 1 1 A 89 89 GLN H H 89 8.342 7.529 0.813 1
1 985 . 2 1 1 A 89 89 GLN HA H 89 4.382 4.595 -0.213 1
1 990 . 2 1 1 A 89 89 GLN C C 89 175.462 175.533 -0.071 1
1 991 . 2 1 1 A 89 89 GLN CA C 89 55.599 55.165 0.434 1
1 992 . 2 1 1 A 89 89 GLN CB C 89 30.016 30.178 -0.162 1
1 994 . 2 1 1 A 89 89 GLN N N 89 122.086 118.362 3.724 1
1 995 . 2 1 1 A 90 90 LYS H H 90 8.584 8.829 -0.245 1
1 996 . 2 1 1 A 90 90 LYS HA H 90 4.779 5.011 -0.232 1
1 1005 . 2 1 1 A 90 90 LYS C C 90 175.897 174.986 0.911 1
1 1006 . 2 1 1 A 90 90 LYS CA C 90 55.590 55.063 0.527 1
1 1007 . 2 1 1 A 90 90 LYS CB C 90 34.742 35.178 -0.436 1
1 1011 . 2 1 1 A 90 90 LYS N N 90 121.945 118.969 2.976 1
1 1012 . 2 1 1 A 91 91 ALA H H 91 8.975 9.422 -0.447 1
1 1013 . 2 1 1 A 91 91 ALA HA H 91 4.738 5.342 -0.604 1
1 1017 . 2 1 1 A 91 91 ALA C C 91 175.585 175.685 -0.100 1
1 1018 . 2 1 1 A 91 91 ALA CA C 91 50.741 50.070 0.671 1
1 1019 . 2 1 1 A 91 91 ALA CB C 91 22.890 21.447 1.443 1
1 1020 . 2 1 1 A 91 91 ALA N N 91 124.604 124.431 0.173 1
1 1021 . 2 1 1 A 92 92 LEU H H 92 8.523 8.602 -0.079 1
1 1022 . 2 1 1 A 92 92 LEU HA H 92 4.707 4.684 0.023 1
1 1032 . 2 1 1 A 92 92 LEU C C 92 174.752 174.144 0.608 1
1 1033 . 2 1 1 A 92 92 LEU CA C 92 55.285 54.212 1.073 1
1 1034 . 2 1 1 A 92 92 LEU CB C 92 43.267 43.017 0.250 1
1 1038 . 2 1 1 A 92 92 LEU N N 92 123.888 125.085 -1.197 1
1 1039 . 2 1 1 A 93 93 TYR H H 93 9.289 9.127 0.162 1
1 1040 . 2 1 1 A 93 93 TYR HA H 93 5.269 5.313 -0.044 1
1 1047 . 2 1 1 A 93 93 TYR C C 93 174.528 175.546 -1.018 1
1 1048 . 2 1 1 A 93 93 TYR CA C 93 56.505 56.774 -0.269 1
1 1049 . 2 1 1 A 93 93 TYR CB C 93 41.881 41.532 0.349 1
1 1054 . 2 1 1 A 93 93 TYR N N 93 126.872 127.462 -0.590 1
1 1055 . 2 1 1 A 94 94 LEU H H 94 9.551 9.261 0.290 1
1 1056 . 2 1 1 A 94 94 LEU HA H 94 5.869 5.404 0.465 1
1 1066 . 2 1 1 A 94 94 LEU C C 94 173.433 175.038 -1.605 1
1 1067 . 2 1 1 A 94 94 LEU CA C 94 54.131 53.468 0.663 1
1 1068 . 2 1 1 A 94 94 LEU CB C 94 46.320 45.727 0.593 1
1 1072 . 2 1 1 A 94 94 LEU N N 94 117.884 123.120 -5.236 1
1 1073 . 2 1 1 A 95 95 ARG H H 95 8.603 8.685 -0.082 1
1 1074 . 2 1 1 A 95 95 ARG HA H 95 4.707 4.786 -0.079 1
1 1082 . 2 1 1 A 95 95 ARG C C 95 174.605 174.571 0.034 1
1 1083 . 2 1 1 A 95 95 ARG CA C 95 53.795 53.838 -0.043 1
1 1084 . 2 1 1 A 95 95 ARG CB C 95 33.468 33.259 0.209 1
1 1087 . 2 1 1 A 95 95 ARG N N 95 116.939 120.328 -3.389 1
1 1089 . 2 1 1 A 96 96 ALA H H 96 9.072 8.523 0.549 1
1 1090 . 2 1 1 A 96 96 ALA HA H 96 4.404 4.382 0.022 1
1 1094 . 2 1 1 A 96 96 ALA C C 96 177.811 176.876 0.935 1
1 1095 . 2 1 1 A 96 96 ALA CA C 96 52.324 52.263 0.061 1
1 1096 . 2 1 1 A 96 96 ALA CB C 96 18.248 19.239 -0.991 1
1 1097 . 2 1 1 A 96 96 ALA N N 96 124.914 124.204 0.710 1
1 1098 . 2 1 1 A 97 97 LYS H H 97 7.989 8.455 -0.466 1
1 1099 . 2 1 1 A 97 97 LYS HA H 97 3.922 4.486 -0.564 1
1 1108 . 2 1 1 A 97 97 LYS C C 97 175.978 174.721 1.257 1
1 1109 . 2 1 1 A 97 97 LYS CA C 97 56.915 56.154 0.761 1
1 1110 . 2 1 1 A 97 97 LYS CB C 97 32.864 33.039 -0.175 1
1 1114 . 2 1 1 A 97 97 LYS N N 97 123.129 122.966 0.163 1
1 1115 . 2 1 1 A 98 98 LEU H H 98 8.118 9.068 -0.950 1
1 1116 . 2 1 1 A 98 98 LEU HA H 98 4.321 4.656 -0.335 1
1 1126 . 2 1 1 A 98 98 LEU C C 98 176.592 177.677 -1.085 1
1 1127 . 2 1 1 A 98 98 LEU CA C 98 54.627 54.283 0.344 1
1 1128 . 2 1 1 A 98 98 LEU CB C 98 42.566 41.688 0.878 1
1 1132 . 2 1 1 A 98 98 LEU N N 98 123.816 128.736 -4.920 1
1 1133 . 2 1 1 A 99 99 GLU H H 99 8.376 8.514 -0.138 1
1 1134 . 2 1 1 A 99 99 GLU C C 99 175.790 177.042 -1.252 1
1 1 . 3 1 1 A 5 5 SER H H 5 8.350 8.696 -0.346 1
1 2 . 3 1 1 A 5 5 SER N N 5 116.816 115.853 0.963 1
1 3 . 3 1 1 A 9 9 GLN H H 9 8.479 8.322 0.157 1
1 4 . 3 1 1 A 9 9 GLN N N 9 121.973 119.667 2.306 1
1 5 . 3 1 1 A 10 10 PRO HA H 10 4.392 4.698 -0.306 1
1 8 . 3 1 1 A 10 10 PRO C C 10 176.702 176.844 -0.142 1
1 9 . 3 1 1 A 10 10 PRO CA C 10 63.029 62.706 0.323 1
1 10 . 3 1 1 A 10 10 PRO CB C 10 32.056 33.145 -1.089 1
1 11 . 3 1 1 A 11 11 ALA H H 11 8.421 8.616 -0.195 1
1 12 . 3 1 1 A 11 11 ALA HA H 11 4.254 3.990 0.264 1
1 16 . 3 1 1 A 11 11 ALA C C 11 177.592 178.622 -1.030 1
1 17 . 3 1 1 A 11 11 ALA CA C 11 52.405 54.002 -1.597 1
1 18 . 3 1 1 A 11 11 ALA CB C 11 19.242 18.461 0.781 1
1 19 . 3 1 1 A 11 11 ALA N N 11 124.566 125.208 -0.642 1
1 20 . 3 1 1 A 12 12 ALA H H 12 8.297 7.703 0.594 1
1 21 . 3 1 1 A 12 12 ALA HA H 12 4.278 4.119 0.159 1
1 25 . 3 1 1 A 12 12 ALA C C 12 177.607 177.927 -0.320 1
1 26 . 3 1 1 A 12 12 ALA CA C 12 52.402 54.094 -1.692 1
1 27 . 3 1 1 A 12 12 ALA CB C 12 19.397 18.369 1.028 1
1 28 . 3 1 1 A 12 12 ALA N N 12 123.470 119.834 3.636 1
1 29 . 3 1 1 A 13 13 GLN H H 13 8.302 7.457 0.845 1
1 30 . 3 1 1 A 13 13 GLN HA H 13 4.304 4.402 -0.098 1
1 33 . 3 1 1 A 13 13 GLN C C 13 175.344 175.685 -0.341 1
1 34 . 3 1 1 A 13 13 GLN CA C 13 55.396 55.671 -0.275 1
1 35 . 3 1 1 A 13 13 GLN CB C 13 29.738 28.999 0.739 1
1 36 . 3 1 1 A 13 13 GLN N N 13 119.718 117.127 2.591 1
1 37 . 3 1 1 A 14 14 ALA H H 14 8.405 8.448 -0.043 1
1 38 . 3 1 1 A 14 14 ALA HA H 14 4.580 4.494 0.086 1
1 42 . 3 1 1 A 14 14 ALA C C 14 175.619 175.924 -0.305 1
1 43 . 3 1 1 A 14 14 ALA CA C 14 50.607 51.026 -0.419 1
1 44 . 3 1 1 A 14 14 ALA CB C 14 18.031 17.576 0.455 1
1 45 . 3 1 1 A 14 14 ALA N N 14 127.291 125.540 1.751 1
1 46 . 3 1 1 A 15 15 PRO HA H 15 4.399 4.442 -0.043 1
1 49 . 3 1 1 A 15 15 PRO C C 15 177.086 176.754 0.332 1
1 50 . 3 1 1 A 15 15 PRO CA C 15 63.294 63.240 0.054 1
1 51 . 3 1 1 A 15 15 PRO CB C 15 31.988 31.697 0.291 1
1 52 . 3 1 1 A 16 16 GLU H H 16 8.656 8.353 0.303 1
1 53 . 3 1 1 A 16 16 GLU HA H 16 4.306 4.409 -0.103 1
1 56 . 3 1 1 A 16 16 GLU C C 16 176.897 176.097 0.800 1
1 57 . 3 1 1 A 16 16 GLU CA C 16 56.771 56.091 0.680 1
1 58 . 3 1 1 A 16 16 GLU CB C 16 30.209 30.309 -0.100 1
1 59 . 3 1 1 A 16 16 GLU N N 16 120.957 119.058 1.899 1
1 60 . 3 1 1 A 17 17 THR H H 17 8.202 8.586 -0.384 1
1 61 . 3 1 1 A 17 17 THR HA H 17 4.336 4.386 -0.050 1
1 66 . 3 1 1 A 17 17 THR C C 17 174.612 173.279 1.333 1
1 67 . 3 1 1 A 17 17 THR CA C 17 61.981 63.146 -1.165 1
1 68 . 3 1 1 A 17 17 THR CB C 17 69.928 68.759 1.169 1
1 70 . 3 1 1 A 17 17 THR N N 17 115.763 118.771 -3.008 1
1 71 . 3 1 1 A 18 18 LYS H H 18 8.373 8.631 -0.258 1
1 72 . 3 1 1 A 18 18 LYS HA H 18 4.365 4.777 -0.412 1
1 81 . 3 1 1 A 18 18 LYS C C 18 176.509 175.360 1.149 1
1 82 . 3 1 1 A 18 18 LYS CA C 18 56.348 55.467 0.881 1
1 83 . 3 1 1 A 18 18 LYS CB C 18 33.051 33.530 -0.479 1
1 87 . 3 1 1 A 18 18 LYS N N 18 123.975 127.461 -3.486 1
1 88 . 3 1 1 A 19 19 GLN H H 19 8.387 8.753 -0.366 1
1 89 . 3 1 1 A 19 19 GLN HA H 19 4.378 4.997 -0.619 1
1 96 . 3 1 1 A 19 19 GLN C C 19 175.630 175.028 0.602 1
1 97 . 3 1 1 A 19 19 GLN CA C 19 55.614 54.278 1.336 1
1 98 . 3 1 1 A 19 19 GLN CB C 19 29.749 31.935 -2.186 1
1 100 . 3 1 1 A 19 19 GLN N N 19 121.480 125.339 -3.859 1
1 102 . 3 1 1 A 20 20 ALA H H 20 8.505 8.653 -0.148 1
1 103 . 3 1 1 A 20 20 ALA HA H 20 4.449 4.837 -0.388 1
1 107 . 3 1 1 A 20 20 ALA C C 20 177.361 177.674 -0.313 1
1 108 . 3 1 1 A 20 20 ALA CA C 20 52.165 51.020 1.145 1
1 109 . 3 1 1 A 20 20 ALA CB C 20 19.253 20.079 -0.826 1
1 110 . 3 1 1 A 20 20 ALA N N 20 125.974 125.730 0.244 1
1 111 . 3 1 1 A 21 21 PHE H H 21 8.851 8.766 0.085 1
1 112 . 3 1 1 A 21 21 PHE HA H 21 4.422 4.692 -0.270 1
1 120 . 3 1 1 A 21 21 PHE C C 21 176.063 174.581 1.482 1
1 121 . 3 1 1 A 21 21 PHE CA C 21 56.142 57.706 -1.564 1
1 122 . 3 1 1 A 21 21 PHE CB C 21 39.867 39.167 0.700 1
1 128 . 3 1 1 A 21 21 PHE N N 21 124.486 121.780 2.706 1
1 129 . 3 1 1 A 22 22 PRO HA H 22 4.856 4.836 0.020 1
1 136 . 3 1 1 A 22 22 PRO C C 22 174.848 177.128 -2.280 1
1 137 . 3 1 1 A 22 22 PRO CA C 22 62.078 62.454 -0.376 1
1 138 . 3 1 1 A 22 22 PRO CB C 22 28.563 30.429 -1.866 1
1 141 . 3 1 1 A 23 23 ARG H H 23 8.356 8.581 -0.225 1
1 142 . 3 1 1 A 23 23 ARG HA H 23 3.650 4.147 -0.497 1
1 149 . 3 1 1 A 23 23 ARG C C 23 176.762 178.593 -1.831 1
1 150 . 3 1 1 A 23 23 ARG CA C 23 60.448 58.341 2.107 1
1 151 . 3 1 1 A 23 23 ARG CB C 23 31.422 29.825 1.597 1
1 154 . 3 1 1 A 23 23 ARG N N 23 126.815 123.669 3.146 1
1 155 . 3 1 1 A 24 24 LYS H H 24 8.555 8.123 0.432 1
1 156 . 3 1 1 A 24 24 LYS HA H 24 3.926 3.986 -0.060 1
1 165 . 3 1 1 A 24 24 LYS C C 24 179.506 179.233 0.273 1
1 166 . 3 1 1 A 24 24 LYS CA C 24 59.888 59.326 0.562 1
1 167 . 3 1 1 A 24 24 LYS CB C 24 31.782 32.173 -0.391 1
1 171 . 3 1 1 A 24 24 LYS N N 24 116.573 119.456 -2.883 1
1 172 . 3 1 1 A 25 25 PHE H H 25 7.575 8.017 -0.442 1
1 173 . 3 1 1 A 25 25 PHE HA H 25 4.487 4.309 0.178 1
1 181 . 3 1 1 A 25 25 PHE C C 25 177.447 178.236 -0.789 1
1 182 . 3 1 1 A 25 25 PHE CA C 25 59.779 61.192 -1.413 1
1 183 . 3 1 1 A 25 25 PHE CB C 25 38.791 38.836 -0.045 1
1 189 . 3 1 1 A 25 25 PHE N N 25 118.123 118.999 -0.876 1
1 190 . 3 1 1 A 26 26 VAL H H 26 8.024 8.258 -0.234 1
1 191 . 3 1 1 A 26 26 VAL HA H 26 3.608 3.689 -0.081 1
1 199 . 3 1 1 A 26 26 VAL C C 26 177.770 178.191 -0.421 1
1 200 . 3 1 1 A 26 26 VAL CA C 26 66.473 66.886 -0.413 1
1 201 . 3 1 1 A 26 26 VAL CB C 26 31.408 31.686 -0.278 1
1 204 . 3 1 1 A 26 26 VAL N N 26 117.081 119.591 -2.510 1
1 205 . 3 1 1 A 27 27 LEU H H 27 8.220 8.453 -0.233 1
1 206 . 3 1 1 A 27 27 LEU HA H 27 4.234 4.085 0.149 1
1 216 . 3 1 1 A 27 27 LEU C C 27 180.010 179.483 0.527 1
1 217 . 3 1 1 A 27 27 LEU CA C 27 57.864 57.749 0.115 1
1 218 . 3 1 1 A 27 27 LEU CB C 27 40.488 41.052 -0.564 1
1 222 . 3 1 1 A 27 27 LEU N N 27 118.748 117.837 0.911 1
1 223 . 3 1 1 A 28 28 ALA H H 28 8.014 8.374 -0.360 1
1 224 . 3 1 1 A 28 28 ALA HA H 28 4.289 4.044 0.245 1
1 228 . 3 1 1 A 28 28 ALA C C 28 179.951 180.102 -0.151 1
1 229 . 3 1 1 A 28 28 ALA CA C 28 55.110 55.445 -0.335 1
1 230 . 3 1 1 A 28 28 ALA CB C 28 17.970 17.875 0.095 1
1 231 . 3 1 1 A 28 28 ALA N N 28 124.088 122.028 2.060 1
1 232 . 3 1 1 A 29 29 ALA H H 29 8.259 8.120 0.139 1
1 233 . 3 1 1 A 29 29 ALA HA H 29 3.942 4.502 -0.560 1
1 237 . 3 1 1 A 29 29 ALA C C 29 180.505 180.061 0.444 1
1 238 . 3 1 1 A 29 29 ALA CA C 29 54.976 55.323 -0.347 1
1 239 . 3 1 1 A 29 29 ALA CB C 29 17.923 18.572 -0.649 1
1 240 . 3 1 1 A 29 29 ALA N N 29 120.431 121.262 -0.831 1
1 241 . 3 1 1 A 30 30 LEU H H 30 8.098 8.257 -0.159 1
1 242 . 3 1 1 A 30 30 LEU HA H 30 4.007 4.231 -0.224 1
1 252 . 3 1 1 A 30 30 LEU C C 30 178.315 178.329 -0.014 1
1 253 . 3 1 1 A 30 30 LEU CA C 30 58.096 57.739 0.357 1
1 254 . 3 1 1 A 30 30 LEU CB C 30 41.486 41.555 -0.069 1
1 258 . 3 1 1 A 30 30 LEU N N 30 120.849 120.808 0.041 1
1 259 . 3 1 1 A 31 31 GLU H H 31 8.115 8.704 -0.589 1
1 260 . 3 1 1 A 31 31 GLU HA H 31 3.967 4.062 -0.095 1
1 265 . 3 1 1 A 31 31 GLU C C 31 179.473 177.843 1.630 1
1 266 . 3 1 1 A 31 31 GLU CA C 31 59.683 59.179 0.504 1
1 267 . 3 1 1 A 31 31 GLU CB C 31 29.402 29.253 0.149 1
1 269 . 3 1 1 A 31 31 GLU N N 31 120.752 117.290 3.462 1
1 270 . 3 1 1 A 32 32 GLN H H 32 7.812 7.908 -0.096 1
1 271 . 3 1 1 A 32 32 GLN HA H 32 4.001 4.100 -0.099 1
1 278 . 3 1 1 A 32 32 GLN C C 32 176.519 176.929 -0.410 1
1 279 . 3 1 1 A 32 32 GLN CA C 32 57.576 57.448 0.128 1
1 280 . 3 1 1 A 32 32 GLN CB C 32 29.108 28.040 1.068 1
1 282 . 3 1 1 A 32 32 GLN N N 32 114.711 118.997 -4.286 1
1 284 . 3 1 1 A 33 33 SER H H 33 7.460 7.557 -0.097 1
1 285 . 3 1 1 A 33 33 SER HA H 33 4.257 4.523 -0.266 1
1 288 . 3 1 1 A 33 33 SER C C 33 174.508 174.586 -0.078 1
1 289 . 3 1 1 A 33 33 SER CA C 33 58.504 57.402 1.102 1
1 290 . 3 1 1 A 33 33 SER CB C 33 65.131 64.756 0.375 1
1 291 . 3 1 1 A 33 33 SER N N 33 110.604 111.329 -0.725 1
1 292 . 3 1 1 A 34 34 SER H H 34 7.429 7.535 -0.106 1
1 293 . 3 1 1 A 34 34 SER HA H 34 4.468 4.357 0.111 1
1 296 . 3 1 1 A 34 34 SER C C 34 174.588 174.206 0.382 1
1 297 . 3 1 1 A 34 34 SER CA C 34 58.556 59.763 -1.207 1
1 298 . 3 1 1 A 34 34 SER CB C 34 65.278 63.645 1.633 1
1 299 . 3 1 1 A 34 34 SER N N 34 117.544 119.595 -2.051 1
1 300 . 3 1 1 A 35 35 ASP H H 35 8.822 9.328 -0.506 1
1 301 . 3 1 1 A 35 35 ASP HA H 35 4.778 4.909 -0.131 1
1 304 . 3 1 1 A 35 35 ASP C C 35 178.268 177.584 0.684 1
1 305 . 3 1 1 A 35 35 ASP CA C 35 52.849 53.808 -0.959 1
1 306 . 3 1 1 A 35 35 ASP CB C 35 41.314 42.105 -0.791 1
1 307 . 3 1 1 A 35 35 ASP N N 35 121.575 124.098 -2.523 1
1 308 . 3 1 1 A 36 36 ASP H H 36 8.483 8.929 -0.446 1
1 309 . 3 1 1 A 36 36 ASP HA H 36 4.414 4.286 0.128 1
1 312 . 3 1 1 A 36 36 ASP C C 36 176.670 177.456 -0.786 1
1 313 . 3 1 1 A 36 36 ASP CA C 36 56.605 58.006 -1.401 1
1 314 . 3 1 1 A 36 36 ASP CB C 36 40.286 40.711 -0.425 1
1 315 . 3 1 1 A 36 36 ASP N N 36 117.398 122.499 -5.101 1
1 316 . 3 1 1 A 37 37 ALA H H 37 8.242 7.575 0.667 1
1 317 . 3 1 1 A 37 37 ALA HA H 37 4.532 4.397 0.135 1
1 321 . 3 1 1 A 37 37 ALA C C 37 177.407 177.927 -0.520 1
1 322 . 3 1 1 A 37 37 ALA CA C 37 51.677 52.013 -0.336 1
1 323 . 3 1 1 A 37 37 ALA CB C 37 19.774 19.489 0.285 1
1 324 . 3 1 1 A 37 37 ALA N N 37 122.052 118.322 3.730 1
1 325 . 3 1 1 A 38 38 GLY H H 38 8.155 8.286 -0.131 1
1 326 . 3 1 1 A 38 38 GLY HA2 H 38 3.624 3.826 -0.202 1
1 327 . 3 1 1 A 38 38 GLY HA3 H 38 4.080 3.898 0.182 1
1 328 . 3 1 1 A 38 38 GLY C C 38 173.417 174.142 -0.725 1
1 329 . 3 1 1 A 38 38 GLY CA C 38 45.093 45.507 -0.414 1
1 330 . 3 1 1 A 38 38 GLY N N 38 107.721 107.218 0.503 1
1 331 . 3 1 1 A 39 39 TRP H H 39 8.449 8.023 0.426 1
1 332 . 3 1 1 A 39 39 TRP HA H 39 5.054 4.705 0.349 1
1 341 . 3 1 1 A 39 39 TRP C C 39 176.577 175.919 0.658 1
1 342 . 3 1 1 A 39 39 TRP CA C 39 56.596 57.621 -1.025 1
1 343 . 3 1 1 A 39 39 TRP CB C 39 32.184 30.841 1.343 1
1 349 . 3 1 1 A 39 39 TRP N N 39 119.797 120.982 -1.185 1
1 351 . 3 1 1 A 40 40 ALA H H 40 9.855 9.286 0.569 1
1 352 . 3 1 1 A 40 40 ALA HA H 40 5.099 5.240 -0.141 1
1 356 . 3 1 1 A 40 40 ALA C C 40 176.165 176.289 -0.124 1
1 357 . 3 1 1 A 40 40 ALA CA C 40 50.202 50.309 -0.107 1
1 358 . 3 1 1 A 40 40 ALA CB C 40 23.153 21.517 1.636 1
1 359 . 3 1 1 A 40 40 ALA N N 40 124.618 125.521 -0.903 1
1 360 . 3 1 1 A 41 41 ASN H H 41 8.794 8.515 0.279 1
1 361 . 3 1 1 A 41 41 ASN HA H 41 3.771 4.205 -0.434 1
1 366 . 3 1 1 A 41 41 ASN C C 41 175.824 176.429 -0.605 1
1 367 . 3 1 1 A 41 41 ASN CA C 41 52.724 53.121 -0.397 1
1 368 . 3 1 1 A 41 41 ASN CB C 41 39.927 39.631 0.296 1
1 369 . 3 1 1 A 41 41 ASN N N 41 121.050 121.343 -0.293 1
1 371 . 3 1 1 A 42 42 LEU H H 42 8.493 8.744 -0.251 1
1 372 . 3 1 1 A 42 42 LEU HA H 42 3.834 4.088 -0.254 1
1 382 . 3 1 1 A 42 42 LEU C C 42 178.256 179.160 -0.904 1
1 383 . 3 1 1 A 42 42 LEU CA C 42 58.859 58.377 0.482 1
1 384 . 3 1 1 A 42 42 LEU CB C 42 42.233 41.961 0.272 1
1 388 . 3 1 1 A 42 42 LEU N N 42 126.418 129.386 -2.968 1
1 389 . 3 1 1 A 43 43 GLY H H 43 8.440 8.153 0.287 1
1 390 . 3 1 1 A 43 43 GLY HA2 H 43 3.912 3.748 0.164 1
1 391 . 3 1 1 A 43 43 GLY HA3 H 43 3.822 3.760 0.062 1
1 392 . 3 1 1 A 43 43 GLY C C 43 176.344 176.256 0.088 1
1 393 . 3 1 1 A 43 43 GLY CA C 43 47.070 47.457 -0.387 1
1 394 . 3 1 1 A 43 43 GLY N N 43 106.800 106.472 0.328 1
1 395 . 3 1 1 A 44 44 ASN H H 44 7.916 7.705 0.211 1
1 396 . 3 1 1 A 44 44 ASN HA H 44 4.472 4.491 -0.019 1
1 401 . 3 1 1 A 44 44 ASN C C 44 177.888 177.827 0.061 1
1 402 . 3 1 1 A 44 44 ASN CA C 44 56.004 56.000 0.004 1
1 403 . 3 1 1 A 44 44 ASN CB C 44 38.316 38.253 0.063 1
1 404 . 3 1 1 A 44 44 ASN N N 44 121.472 120.526 0.946 1
1 406 . 3 1 1 A 45 45 PHE H H 45 8.563 8.303 0.260 1
1 407 . 3 1 1 A 45 45 PHE HA H 45 4.498 4.271 0.227 1
1 415 . 3 1 1 A 45 45 PHE C C 45 176.732 178.006 -1.274 1
1 416 . 3 1 1 A 45 45 PHE CA C 45 60.350 60.486 -0.136 1
1 417 . 3 1 1 A 45 45 PHE CB C 45 38.824 39.240 -0.416 1
1 423 . 3 1 1 A 45 45 PHE N N 45 121.835 122.054 -0.219 1
1 424 . 3 1 1 A 46 46 GLY H H 46 8.933 8.815 0.118 1
1 425 . 3 1 1 A 46 46 GLY HA2 H 46 3.820 3.454 0.366 1
1 426 . 3 1 1 A 46 46 GLY HA3 H 46 3.186 3.664 -0.478 1
1 427 . 3 1 1 A 46 46 GLY C C 46 176.053 175.635 0.418 1
1 428 . 3 1 1 A 46 46 GLY CA C 46 47.171 46.857 0.314 1
1 429 . 3 1 1 A 46 46 GLY N N 46 106.269 106.401 -0.132 1
1 430 . 3 1 1 A 47 47 ASN H H 47 7.812 7.926 -0.114 1
1 431 . 3 1 1 A 47 47 ASN HA H 47 4.470 4.440 0.030 1
1 436 . 3 1 1 A 47 47 ASN C C 47 178.087 177.077 1.010 1
1 437 . 3 1 1 A 47 47 ASN CA C 47 55.974 56.060 -0.086 1
1 438 . 3 1 1 A 47 47 ASN CB C 47 38.149 38.935 -0.786 1
1 439 . 3 1 1 A 47 47 ASN N N 47 120.030 120.090 -0.060 1
1 441 . 3 1 1 A 48 48 TYR H H 48 8.093 8.020 0.073 1
1 442 . 3 1 1 A 48 48 TYR HA H 48 4.007 4.235 -0.228 1
1 449 . 3 1 1 A 48 48 TYR C C 48 178.310 177.540 0.770 1
1 450 . 3 1 1 A 48 48 TYR CA C 48 62.527 60.897 1.630 1
1 451 . 3 1 1 A 48 48 TYR CB C 48 38.254 38.742 -0.488 1
1 456 . 3 1 1 A 48 48 TYR N N 48 121.030 120.031 0.999 1
1 457 . 3 1 1 A 49 49 LEU H H 49 8.480 8.314 0.166 1
1 458 . 3 1 1 A 49 49 LEU HA H 49 3.624 3.923 -0.299 1
1 468 . 3 1 1 A 49 49 LEU C C 49 177.653 178.294 -0.641 1
1 469 . 3 1 1 A 49 49 LEU CA C 49 58.321 58.160 0.161 1
1 470 . 3 1 1 A 49 49 LEU CB C 49 41.046 41.183 -0.137 1
1 474 . 3 1 1 A 49 49 LEU N N 49 121.024 121.114 -0.090 1
1 475 . 3 1 1 A 50 50 ASN H H 50 7.564 7.593 -0.029 1
1 476 . 3 1 1 A 50 50 ASN HA H 50 4.493 4.562 -0.069 1
1 481 . 3 1 1 A 50 50 ASN C C 50 176.498 177.659 -1.161 1
1 482 . 3 1 1 A 50 50 ASN CA C 50 55.479 55.546 -0.067 1
1 483 . 3 1 1 A 50 50 ASN CB C 50 39.302 39.083 0.219 1
1 484 . 3 1 1 A 50 50 ASN N N 50 114.582 116.641 -2.059 1
1 486 . 3 1 1 A 51 51 LYS H H 51 7.370 7.731 -0.361 1
1 487 . 3 1 1 A 51 51 LYS HA H 51 3.990 3.933 0.057 1
1 496 . 3 1 1 A 51 51 LYS C C 51 178.403 179.164 -0.761 1
1 497 . 3 1 1 A 51 51 LYS CA C 51 58.512 59.453 -0.941 1
1 498 . 3 1 1 A 51 51 LYS CB C 51 32.245 32.021 0.224 1
1 502 . 3 1 1 A 51 51 LYS N N 51 118.289 118.998 -0.709 1
1 503 . 3 1 1 A 52 52 LEU H H 52 7.518 7.052 0.466 1
1 504 . 3 1 1 A 52 52 LEU HA H 52 4.085 4.105 -0.020 1
1 514 . 3 1 1 A 52 52 LEU C C 52 177.924 176.553 1.371 1
1 515 . 3 1 1 A 52 52 LEU CA C 52 56.424 56.919 -0.495 1
1 516 . 3 1 1 A 52 52 LEU CB C 52 42.952 42.933 0.019 1
1 520 . 3 1 1 A 52 52 LEU N N 52 117.841 118.666 -0.825 1
1 521 . 3 1 1 A 53 53 GLN H H 53 8.438 7.957 0.481 1
1 522 . 3 1 1 A 53 53 GLN HA H 53 4.583 4.624 -0.041 1
1 529 . 3 1 1 A 53 53 GLN C C 53 172.039 174.094 -2.055 1
1 530 . 3 1 1 A 53 53 GLN CA C 53 52.780 53.557 -0.777 1
1 531 . 3 1 1 A 53 53 GLN CB C 53 29.902 29.124 0.778 1
1 533 . 3 1 1 A 53 53 GLN N N 53 118.578 117.867 0.711 1
1 535 . 3 1 1 A 54 54 PRO HA H 54 4.718 4.441 0.277 1
1 542 . 3 1 1 A 54 54 PRO C C 54 177.295 177.488 -0.193 1
1 543 . 3 1 1 A 54 54 PRO CA C 54 64.754 64.377 0.377 1
1 544 . 3 1 1 A 54 54 PRO CB C 54 31.924 31.845 0.079 1
1 547 . 3 1 1 A 55 55 ASP H H 55 8.349 8.345 0.004 1
1 548 . 3 1 1 A 55 55 ASP HA H 55 4.596 4.549 0.047 1
1 551 . 3 1 1 A 55 55 ASP C C 55 176.361 176.281 0.080 1
1 552 . 3 1 1 A 55 55 ASP CA C 55 53.467 55.711 -2.244 1
1 553 . 3 1 1 A 55 55 ASP CB C 55 40.050 40.654 -0.604 1
1 554 . 3 1 1 A 55 55 ASP N N 55 114.766 116.667 -1.901 1
1 555 . 3 1 1 A 56 56 PHE H H 56 8.187 7.834 0.353 1
1 556 . 3 1 1 A 56 56 PHE HA H 56 4.055 4.748 -0.693 1
1 564 . 3 1 1 A 56 56 PHE C C 56 175.257 173.985 1.272 1
1 565 . 3 1 1 A 56 56 PHE CA C 56 61.149 56.871 4.278 1
1 566 . 3 1 1 A 56 56 PHE CB C 56 38.680 39.008 -0.328 1
1 572 . 3 1 1 A 56 56 PHE N N 56 122.323 120.928 1.395 1
1 573 . 3 1 1 A 57 57 ASP H H 57 6.887 8.352 -1.465 1
1 574 . 3 1 1 A 57 57 ASP HA H 57 4.670 5.029 -0.359 1
1 577 . 3 1 1 A 57 57 ASP C C 57 176.308 176.200 0.108 1
1 578 . 3 1 1 A 57 57 ASP CA C 57 52.895 52.349 0.546 1
1 579 . 3 1 1 A 57 57 ASP CB C 57 42.942 43.378 -0.436 1
1 580 . 3 1 1 A 57 57 ASP N N 57 127.342 128.660 -1.318 1
1 581 . 3 1 1 A 58 58 SER H H 58 9.284 9.036 0.248 1
1 582 . 3 1 1 A 58 58 SER HA H 58 3.991 4.255 -0.264 1
1 585 . 3 1 1 A 58 58 SER C C 58 176.248 176.849 -0.601 1
1 586 . 3 1 1 A 58 58 SER CA C 58 63.050 60.983 2.067 1
1 587 . 3 1 1 A 58 58 SER CB C 58 63.339 63.131 0.208 1
1 588 . 3 1 1 A 58 58 SER N N 58 123.478 121.422 2.056 1
1 589 . 3 1 1 A 59 59 ARG H H 59 8.639 7.799 0.840 1
1 590 . 3 1 1 A 59 59 ARG HA H 59 4.073 4.282 -0.209 1
1 597 . 3 1 1 A 59 59 ARG C C 59 180.693 178.835 1.858 1
1 598 . 3 1 1 A 59 59 ARG CA C 59 58.787 58.844 -0.057 1
1 599 . 3 1 1 A 59 59 ARG CB C 59 29.824 29.827 -0.003 1
1 602 . 3 1 1 A 59 59 ARG N N 59 123.207 122.301 0.906 1
1 603 . 3 1 1 A 60 60 LEU H H 60 7.460 7.971 -0.511 1
1 604 . 3 1 1 A 60 60 LEU HA H 60 3.841 3.931 -0.090 1
1 614 . 3 1 1 A 60 60 LEU C C 60 177.018 177.805 -0.787 1
1 615 . 3 1 1 A 60 60 LEU CA C 60 56.556 57.765 -1.209 1
1 616 . 3 1 1 A 60 60 LEU CB C 60 41.013 41.535 -0.522 1
1 620 . 3 1 1 A 60 60 LEU N N 60 120.191 119.441 0.750 1
1 621 . 3 1 1 A 61 61 TYR H H 61 7.200 7.748 -0.548 1
1 622 . 3 1 1 A 61 61 TYR HA H 61 4.781 4.654 0.127 1
1 629 . 3 1 1 A 61 61 TYR C C 61 175.303 175.725 -0.422 1
1 630 . 3 1 1 A 61 61 TYR CA C 61 56.371 57.787 -1.416 1
1 631 . 3 1 1 A 61 61 TYR CB C 61 38.825 38.870 -0.045 1
1 636 . 3 1 1 A 61 61 TYR N N 61 114.720 115.745 -1.025 1
1 637 . 3 1 1 A 62 62 GLY H H 62 7.354 8.085 -0.731 1
1 638 . 3 1 1 A 62 62 GLY HA2 H 62 3.968 3.831 0.137 1
1 639 . 3 1 1 A 62 62 GLY HA3 H 62 3.552 3.902 -0.350 1
1 640 . 3 1 1 A 62 62 GLY C C 62 173.542 173.746 -0.204 1
1 641 . 3 1 1 A 62 62 GLY CA C 62 44.889 45.154 -0.265 1
1 642 . 3 1 1 A 62 62 GLY N N 62 104.100 108.420 -4.320 1
1 643 . 3 1 1 A 63 63 TYR H H 63 7.377 7.615 -0.238 1
1 644 . 3 1 1 A 63 63 TYR HA H 63 4.937 4.498 0.439 1
1 651 . 3 1 1 A 63 63 TYR C C 63 175.675 176.344 -0.669 1
1 652 . 3 1 1 A 63 63 TYR CA C 63 56.902 58.759 -1.857 1
1 653 . 3 1 1 A 63 63 TYR CB C 63 42.609 39.029 3.580 1
1 658 . 3 1 1 A 63 63 TYR N N 63 117.874 119.734 -1.860 1
1 659 . 3 1 1 A 64 64 LYS H H 64 9.403 8.874 0.529 1
1 660 . 3 1 1 A 64 64 LYS HA H 64 3.914 4.156 -0.242 1
1 669 . 3 1 1 A 64 64 LYS C C 64 176.334 176.504 -0.170 1
1 670 . 3 1 1 A 64 64 LYS CA C 64 59.534 58.154 1.380 1
1 671 . 3 1 1 A 64 64 LYS CB C 64 32.892 33.160 -0.268 1
1 675 . 3 1 1 A 64 64 LYS N N 64 123.946 123.433 0.513 1
1 676 . 3 1 1 A 65 65 LYS H H 65 7.635 7.585 0.050 1
1 677 . 3 1 1 A 65 65 LYS HA H 65 4.787 4.628 0.159 1
1 686 . 3 1 1 A 65 65 LYS C C 65 177.231 176.582 0.649 1
1 687 . 3 1 1 A 65 65 LYS CA C 65 54.089 55.016 -0.927 1
1 688 . 3 1 1 A 65 65 LYS CB C 65 35.722 33.914 1.808 1
1 692 . 3 1 1 A 65 65 LYS N N 65 112.461 114.735 -2.274 1
1 693 . 3 1 1 A 66 66 LEU H H 66 9.090 8.622 0.468 1
1 694 . 3 1 1 A 66 66 LEU HA H 66 4.240 4.034 0.206 1
1 704 . 3 1 1 A 66 66 LEU C C 66 178.820 178.175 0.645 1
1 705 . 3 1 1 A 66 66 LEU CA C 66 58.129 58.178 -0.049 1
1 706 . 3 1 1 A 66 66 LEU CB C 66 41.476 41.307 0.169 1
1 710 . 3 1 1 A 66 66 LEU N N 66 124.584 121.455 3.129 1
1 711 . 3 1 1 A 67 67 SER H H 67 8.867 8.378 0.489 1
1 712 . 3 1 1 A 67 67 SER HA H 67 3.697 4.183 -0.486 1
1 715 . 3 1 1 A 67 67 SER C C 67 175.588 176.231 -0.643 1
1 716 . 3 1 1 A 67 67 SER CA C 67 61.518 61.274 0.244 1
1 717 . 3 1 1 A 67 67 SER CB C 67 61.537 62.310 -0.773 1
1 718 . 3 1 1 A 67 67 SER N N 67 112.095 114.734 -2.639 1
1 719 . 3 1 1 A 68 68 ASP H H 68 6.783 8.385 -1.602 1
1 720 . 3 1 1 A 68 68 ASP HA H 68 4.356 4.455 -0.099 1
1 723 . 3 1 1 A 68 68 ASP C C 68 177.827 178.314 -0.487 1
1 724 . 3 1 1 A 68 68 ASP CA C 68 57.170 57.352 -0.182 1
1 725 . 3 1 1 A 68 68 ASP CB C 68 41.380 41.688 -0.308 1
1 726 . 3 1 1 A 68 68 ASP N N 68 119.720 121.507 -1.787 1
1 727 . 3 1 1 A 69 69 LEU H H 69 7.153 7.321 -0.168 1
1 728 . 3 1 1 A 69 69 LEU HA H 69 2.561 3.246 -0.685 1
1 738 . 3 1 1 A 69 69 LEU C C 69 177.830 178.504 -0.674 1
1 739 . 3 1 1 A 69 69 LEU CA C 69 58.843 57.957 0.886 1
1 740 . 3 1 1 A 69 69 LEU CB C 69 42.203 41.626 0.577 1
1 744 . 3 1 1 A 69 69 LEU N N 69 122.181 120.416 1.765 1
1 745 . 3 1 1 A 70 70 VAL H H 70 8.167 8.219 -0.052 1
1 746 . 3 1 1 A 70 70 VAL HA H 70 3.509 3.594 -0.085 1
1 754 . 3 1 1 A 70 70 VAL C C 70 177.695 178.199 -0.504 1
1 755 . 3 1 1 A 70 70 VAL CA C 70 65.582 67.097 -1.515 1
1 756 . 3 1 1 A 70 70 VAL CB C 70 31.409 31.176 0.233 1
1 759 . 3 1 1 A 70 70 VAL N N 70 116.117 119.276 -3.159 1
1 760 . 3 1 1 A 71 71 LYS H H 71 7.665 8.024 -0.359 1
1 761 . 3 1 1 A 71 71 LYS HA H 71 3.854 4.106 -0.252 1
1 770 . 3 1 1 A 71 71 LYS C C 71 177.406 177.752 -0.346 1
1 771 . 3 1 1 A 71 71 LYS CA C 71 59.175 58.642 0.533 1
1 772 . 3 1 1 A 71 71 LYS CB C 71 32.804 31.869 0.935 1
1 776 . 3 1 1 A 71 71 LYS N N 71 116.326 119.851 -3.525 1
1 777 . 3 1 1 A 72 72 ALA H H 72 7.506 7.223 0.283 1
1 778 . 3 1 1 A 72 72 ALA HA H 72 4.391 4.260 0.131 1
1 782 . 3 1 1 A 72 72 ALA C C 72 180.756 177.506 3.250 1
1 783 . 3 1 1 A 72 72 ALA CA C 72 53.691 52.941 0.750 1
1 784 . 3 1 1 A 72 72 ALA CB C 72 20.243 19.389 0.854 1
1 785 . 3 1 1 A 72 72 ALA N N 72 118.313 120.169 -1.856 1
1 786 . 3 1 1 A 73 73 ARG H H 73 7.603 7.804 -0.201 1
1 787 . 3 1 1 A 73 73 ARG HA H 73 4.872 4.563 0.309 1
1 795 . 3 1 1 A 73 73 ARG C C 73 177.558 176.024 1.534 1
1 796 . 3 1 1 A 73 73 ARG CA C 73 51.230 54.918 -3.688 1
1 797 . 3 1 1 A 73 73 ARG CB C 73 25.568 30.340 -4.772 1
1 800 . 3 1 1 A 73 73 ARG N N 73 118.690 118.077 0.613 1
1 802 . 3 1 1 A 74 74 THR H H 74 8.261 8.042 0.219 1
1 803 . 3 1 1 A 74 74 THR HA H 74 4.552 4.422 0.130 1
1 808 . 3 1 1 A 74 74 THR C C 74 174.706 176.081 -1.375 1
1 809 . 3 1 1 A 74 74 THR CA C 74 62.876 65.325 -2.449 1
1 810 . 3 1 1 A 74 74 THR CB C 74 68.716 68.195 0.521 1
1 812 . 3 1 1 A 74 74 THR N N 74 115.950 112.774 3.176 1
1 813 . 3 1 1 A 75 75 ASP H H 75 9.542 8.180 1.362 1
1 814 . 3 1 1 A 75 75 ASP HA H 75 4.310 4.242 0.068 1
1 817 . 3 1 1 A 75 75 ASP C C 75 175.958 177.482 -1.524 1
1 818 . 3 1 1 A 75 75 ASP CA C 75 54.476 57.557 -3.081 1
1 819 . 3 1 1 A 75 75 ASP CB C 75 38.969 41.886 -2.917 1
1 820 . 3 1 1 A 75 75 ASP N N 75 116.582 121.508 -4.926 1
1 821 . 3 1 1 A 76 76 LEU H H 76 7.078 7.399 -0.321 1
1 822 . 3 1 1 A 76 76 LEU HA H 76 4.225 3.939 0.286 1
1 832 . 3 1 1 A 76 76 LEU C C 76 177.244 176.025 1.219 1
1 833 . 3 1 1 A 76 76 LEU CA C 76 55.349 55.897 -0.548 1
1 834 . 3 1 1 A 76 76 LEU CB C 76 43.508 43.118 0.390 1
1 838 . 3 1 1 A 76 76 LEU N N 76 117.639 118.039 -0.400 1
1 839 . 3 1 1 A 77 77 PHE H H 77 7.977 7.791 0.186 1
1 840 . 3 1 1 A 77 77 PHE HA H 77 5.648 5.096 0.552 1
1 848 . 3 1 1 A 77 77 PHE C C 77 175.868 174.765 1.103 1
1 849 . 3 1 1 A 77 77 PHE CA C 77 54.878 56.387 -1.509 1
1 850 . 3 1 1 A 77 77 PHE CB C 77 42.833 42.331 0.502 1
1 856 . 3 1 1 A 77 77 PHE N N 77 115.989 115.217 0.772 1
1 857 . 3 1 1 A 78 78 VAL H H 78 8.863 9.016 -0.153 1
1 858 . 3 1 1 A 78 78 VAL HA H 78 4.425 4.500 -0.075 1
1 866 . 3 1 1 A 78 78 VAL C C 78 175.288 175.654 -0.366 1
1 867 . 3 1 1 A 78 78 VAL CA C 78 61.575 62.618 -1.043 1
1 868 . 3 1 1 A 78 78 VAL CB C 78 33.988 31.555 2.433 1
1 871 . 3 1 1 A 78 78 VAL N N 78 123.339 123.697 -0.358 1
1 872 . 3 1 1 A 79 79 THR H H 79 8.305 9.020 -0.715 1
1 873 . 3 1 1 A 79 79 THR HA H 79 5.882 5.596 0.286 1
1 878 . 3 1 1 A 79 79 THR C C 79 174.566 173.895 0.671 1
1 879 . 3 1 1 A 79 79 THR CA C 79 59.476 60.509 -1.033 1
1 880 . 3 1 1 A 79 79 THR CB C 79 73.090 70.885 2.205 1
1 882 . 3 1 1 A 79 79 THR N N 79 113.057 119.583 -6.526 1
1 883 . 3 1 1 A 80 80 GLU H H 80 8.962 8.587 0.375 1
1 884 . 3 1 1 A 80 80 GLU HA H 80 4.589 4.879 -0.290 1
1 889 . 3 1 1 A 80 80 GLU C C 80 174.040 175.710 -1.670 1
1 890 . 3 1 1 A 80 80 GLU CA C 80 55.878 55.269 0.609 1
1 891 . 3 1 1 A 80 80 GLU CB C 80 33.399 33.407 -0.008 1
1 893 . 3 1 1 A 80 80 GLU N N 80 117.934 122.543 -4.609 1
1 894 . 3 1 1 A 81 81 GLU H H 81 8.687 8.836 -0.149 1
1 895 . 3 1 1 A 81 81 GLU HA H 81 5.213 4.818 0.395 1
1 900 . 3 1 1 A 81 81 GLU C C 81 176.406 175.787 0.619 1
1 901 . 3 1 1 A 81 81 GLU CA C 81 55.186 56.299 -1.113 1
1 902 . 3 1 1 A 81 81 GLU CB C 81 31.544 30.599 0.945 1
1 904 . 3 1 1 A 81 81 GLU N N 81 122.400 123.407 -1.007 1
1 905 . 3 1 1 A 82 82 ARG H H 82 9.118 9.227 -0.109 1
1 906 . 3 1 1 A 82 82 ARG HA H 82 4.635 4.760 -0.125 1
1 914 . 3 1 1 A 82 82 ARG C C 82 175.222 174.803 0.419 1
1 915 . 3 1 1 A 82 82 ARG CA C 82 54.746 54.336 0.410 1
1 916 . 3 1 1 A 82 82 ARG CB C 82 33.719 32.930 0.789 1
1 919 . 3 1 1 A 82 82 ARG N N 82 121.851 124.207 -2.356 1
1 921 . 3 1 1 A 83 83 GLN H H 83 8.642 8.518 0.124 1
1 922 . 3 1 1 A 83 83 GLN HA H 83 4.340 4.568 -0.228 1
1 927 . 3 1 1 A 83 83 GLN C C 83 175.705 175.616 0.089 1
1 928 . 3 1 1 A 83 83 GLN CA C 83 56.094 55.910 0.184 1
1 929 . 3 1 1 A 83 83 GLN CB C 83 29.424 29.821 -0.397 1
1 931 . 3 1 1 A 83 83 GLN N N 83 121.976 122.696 -0.720 1
1 932 . 3 1 1 A 84 84 VAL H H 84 8.818 8.316 0.502 1
1 933 . 3 1 1 A 84 84 VAL HA H 84 4.399 4.497 -0.098 1
1 941 . 3 1 1 A 84 84 VAL C C 84 174.439 174.733 -0.294 1
1 942 . 3 1 1 A 84 84 VAL CA C 84 59.977 59.519 0.458 1
1 943 . 3 1 1 A 84 84 VAL CB C 84 32.948 32.102 0.846 1
1 946 . 3 1 1 A 84 84 VAL N N 84 128.548 126.356 2.192 1
1 947 . 3 1 1 A 85 85 PRO HA H 85 4.313 4.282 0.031 1
1 954 . 3 1 1 A 85 85 PRO C C 85 178.026 177.641 0.385 1
1 955 . 3 1 1 A 85 85 PRO CA C 85 64.139 63.598 0.541 1
1 956 . 3 1 1 A 85 85 PRO CB C 85 31.744 31.500 0.244 1
1 959 . 3 1 1 A 86 86 GLY H H 86 8.815 8.818 -0.003 1
1 960 . 3 1 1 A 86 86 GLY HA2 H 86 3.751 4.003 -0.252 1
1 961 . 3 1 1 A 86 86 GLY HA3 H 86 4.148 4.005 0.143 1
1 962 . 3 1 1 A 86 86 GLY C C 86 173.673 173.320 0.353 1
1 963 . 3 1 1 A 86 86 GLY CA C 86 45.661 45.610 0.051 1
1 964 . 3 1 1 A 86 86 GLY N N 86 111.839 112.472 -0.633 1
1 965 . 3 1 1 A 87 87 SER H H 87 8.029 7.435 0.594 1
1 966 . 3 1 1 A 87 87 SER HA H 87 4.955 4.976 -0.021 1
1 969 . 3 1 1 A 87 87 SER C C 87 174.293 173.980 0.313 1
1 970 . 3 1 1 A 87 87 SER CA C 87 56.119 57.443 -1.324 1
1 971 . 3 1 1 A 87 87 SER CB C 87 65.288 66.484 -1.196 1
1 972 . 3 1 1 A 87 87 SER N N 87 114.255 114.565 -0.310 1
1 973 . 3 1 1 A 88 88 THR H H 88 8.366 8.478 -0.112 1
1 974 . 3 1 1 A 88 88 THR HA H 88 4.438 4.325 0.113 1
1 979 . 3 1 1 A 88 88 THR C C 88 175.360 174.415 0.945 1
1 980 . 3 1 1 A 88 88 THR CA C 88 62.103 63.836 -1.733 1
1 981 . 3 1 1 A 88 88 THR CB C 88 69.017 69.714 -0.697 1
1 983 . 3 1 1 A 88 88 THR N N 88 112.921 118.881 -5.960 1
1 984 . 3 1 1 A 89 89 GLN H H 89 8.342 7.536 0.806 1
1 985 . 3 1 1 A 89 89 GLN HA H 89 4.382 4.372 0.010 1
1 990 . 3 1 1 A 89 89 GLN C C 89 175.462 175.646 -0.184 1
1 991 . 3 1 1 A 89 89 GLN CA C 89 55.599 55.697 -0.098 1
1 992 . 3 1 1 A 89 89 GLN CB C 89 30.016 29.213 0.803 1
1 994 . 3 1 1 A 89 89 GLN N N 89 122.086 117.394 4.692 1
1 995 . 3 1 1 A 90 90 LYS H H 90 8.584 9.048 -0.464 1
1 996 . 3 1 1 A 90 90 LYS HA H 90 4.779 5.097 -0.318 1
1 1005 . 3 1 1 A 90 90 LYS C C 90 175.897 174.929 0.968 1
1 1006 . 3 1 1 A 90 90 LYS CA C 90 55.590 54.514 1.076 1
1 1007 . 3 1 1 A 90 90 LYS CB C 90 34.742 35.831 -1.089 1
1 1011 . 3 1 1 A 90 90 LYS N N 90 121.945 119.284 2.661 1
1 1012 . 3 1 1 A 91 91 ALA H H 91 8.975 9.278 -0.303 1
1 1013 . 3 1 1 A 91 91 ALA HA H 91 4.738 5.364 -0.626 1
1 1017 . 3 1 1 A 91 91 ALA C C 91 175.585 175.746 -0.161 1
1 1018 . 3 1 1 A 91 91 ALA CA C 91 50.741 50.090 0.651 1
1 1019 . 3 1 1 A 91 91 ALA CB C 91 22.890 21.852 1.038 1
1 1020 . 3 1 1 A 91 91 ALA N N 91 124.604 124.605 -0.001 1
1 1021 . 3 1 1 A 92 92 LEU H H 92 8.523 8.570 -0.047 1
1 1022 . 3 1 1 A 92 92 LEU HA H 92 4.707 4.757 -0.050 1
1 1032 . 3 1 1 A 92 92 LEU C C 92 174.752 174.127 0.625 1
1 1033 . 3 1 1 A 92 92 LEU CA C 92 55.285 54.205 1.080 1
1 1034 . 3 1 1 A 92 92 LEU CB C 92 43.267 42.946 0.321 1
1 1038 . 3 1 1 A 92 92 LEU N N 92 123.888 124.822 -0.934 1
1 1039 . 3 1 1 A 93 93 TYR H H 93 9.289 9.257 0.032 1
1 1040 . 3 1 1 A 93 93 TYR HA H 93 5.269 5.070 0.199 1
1 1047 . 3 1 1 A 93 93 TYR C C 93 174.528 175.592 -1.064 1
1 1048 . 3 1 1 A 93 93 TYR CA C 93 56.505 57.037 -0.532 1
1 1049 . 3 1 1 A 93 93 TYR CB C 93 41.881 40.339 1.542 1
1 1054 . 3 1 1 A 93 93 TYR N N 93 126.872 127.832 -0.960 1
1 1055 . 3 1 1 A 94 94 LEU H H 94 9.551 9.518 0.033 1
1 1056 . 3 1 1 A 94 94 LEU HA H 94 5.869 5.485 0.384 1
1 1066 . 3 1 1 A 94 94 LEU C C 94 173.433 175.498 -2.065 1
1 1067 . 3 1 1 A 94 94 LEU CA C 94 54.131 53.428 0.703 1
1 1068 . 3 1 1 A 94 94 LEU CB C 94 46.320 45.405 0.915 1
1 1072 . 3 1 1 A 94 94 LEU N N 94 117.884 124.011 -6.127 1
1 1073 . 3 1 1 A 95 95 ARG H H 95 8.603 8.782 -0.179 1
1 1074 . 3 1 1 A 95 95 ARG HA H 95 4.707 4.793 -0.086 1
1 1082 . 3 1 1 A 95 95 ARG C C 95 174.605 174.558 0.047 1
1 1083 . 3 1 1 A 95 95 ARG CA C 95 53.795 53.978 -0.183 1
1 1084 . 3 1 1 A 95 95 ARG CB C 95 33.468 33.430 0.038 1
1 1087 . 3 1 1 A 95 95 ARG N N 95 116.939 121.229 -4.290 1
1 1089 . 3 1 1 A 96 96 ALA H H 96 9.072 8.525 0.547 1
1 1090 . 3 1 1 A 96 96 ALA HA H 96 4.404 4.331 0.073 1
1 1094 . 3 1 1 A 96 96 ALA C C 96 177.811 176.928 0.883 1
1 1095 . 3 1 1 A 96 96 ALA CA C 96 52.324 52.486 -0.162 1
1 1096 . 3 1 1 A 96 96 ALA CB C 96 18.248 19.219 -0.971 1
1 1097 . 3 1 1 A 96 96 ALA N N 96 124.914 124.628 0.286 1
1 1098 . 3 1 1 A 97 97 LYS H H 97 7.989 8.028 -0.039 1
1 1099 . 3 1 1 A 97 97 LYS HA H 97 3.922 4.355 -0.433 1
1 1108 . 3 1 1 A 97 97 LYS C C 97 175.978 174.598 1.380 1
1 1109 . 3 1 1 A 97 97 LYS CA C 97 56.915 56.033 0.882 1
1 1110 . 3 1 1 A 97 97 LYS CB C 97 32.864 32.695 0.169 1
1 1114 . 3 1 1 A 97 97 LYS N N 97 123.129 122.856 0.273 1
1 1115 . 3 1 1 A 98 98 LEU H H 98 8.118 8.545 -0.427 1
1 1116 . 3 1 1 A 98 98 LEU HA H 98 4.321 4.782 -0.461 1
1 1126 . 3 1 1 A 98 98 LEU C C 98 176.592 174.933 1.659 1
1 1127 . 3 1 1 A 98 98 LEU CA C 98 54.627 54.237 0.390 1
1 1128 . 3 1 1 A 98 98 LEU CB C 98 42.566 41.203 1.363 1
1 1132 . 3 1 1 A 98 98 LEU N N 98 123.816 128.839 -5.023 1
1 1133 . 3 1 1 A 99 99 GLU H H 99 8.376 8.972 -0.596 1
1 1134 . 3 1 1 A 99 99 GLU C C 99 175.790 175.378 0.412 1
1 1 . 4 1 1 A 5 5 SER H H 5 8.350 8.822 -0.472 1
1 2 . 4 1 1 A 5 5 SER N N 5 116.816 121.457 -4.641 1
1 3 . 4 1 1 A 9 9 GLN H H 9 8.479 8.105 0.374 1
1 4 . 4 1 1 A 9 9 GLN N N 9 121.973 117.346 4.627 1
1 5 . 4 1 1 A 10 10 PRO HA H 10 4.392 4.485 -0.093 1
1 8 . 4 1 1 A 10 10 PRO C C 10 176.702 176.960 -0.258 1
1 9 . 4 1 1 A 10 10 PRO CA C 10 63.029 62.596 0.433 1
1 10 . 4 1 1 A 10 10 PRO CB C 10 32.056 32.097 -0.041 1
1 11 . 4 1 1 A 11 11 ALA H H 11 8.421 8.319 0.102 1
1 12 . 4 1 1 A 11 11 ALA HA H 11 4.254 4.143 0.111 1
1 16 . 4 1 1 A 11 11 ALA C C 11 177.592 177.347 0.245 1
1 17 . 4 1 1 A 11 11 ALA CA C 11 52.405 52.846 -0.441 1
1 18 . 4 1 1 A 11 11 ALA CB C 11 19.242 19.340 -0.098 1
1 19 . 4 1 1 A 11 11 ALA N N 11 124.566 124.976 -0.410 1
1 20 . 4 1 1 A 12 12 ALA H H 12 8.297 8.363 -0.066 1
1 21 . 4 1 1 A 12 12 ALA HA H 12 4.278 4.343 -0.065 1
1 25 . 4 1 1 A 12 12 ALA C C 12 177.607 177.012 0.595 1
1 26 . 4 1 1 A 12 12 ALA CA C 12 52.402 52.893 -0.491 1
1 27 . 4 1 1 A 12 12 ALA CB C 12 19.397 19.091 0.306 1
1 28 . 4 1 1 A 12 12 ALA N N 12 123.470 126.186 -2.716 1
1 29 . 4 1 1 A 13 13 GLN H H 13 8.302 8.490 -0.188 1
1 30 . 4 1 1 A 13 13 GLN HA H 13 4.304 4.671 -0.367 1
1 33 . 4 1 1 A 13 13 GLN C C 13 175.344 174.842 0.502 1
1 34 . 4 1 1 A 13 13 GLN CA C 13 55.396 55.068 0.328 1
1 35 . 4 1 1 A 13 13 GLN CB C 13 29.738 29.216 0.522 1
1 36 . 4 1 1 A 13 13 GLN N N 13 119.718 123.278 -3.560 1
1 37 . 4 1 1 A 14 14 ALA H H 14 8.405 8.494 -0.089 1
1 38 . 4 1 1 A 14 14 ALA HA H 14 4.580 4.533 0.047 1
1 42 . 4 1 1 A 14 14 ALA C C 14 175.619 176.066 -0.447 1
1 43 . 4 1 1 A 14 14 ALA CA C 14 50.607 50.816 -0.209 1
1 44 . 4 1 1 A 14 14 ALA CB C 14 18.031 17.706 0.325 1
1 45 . 4 1 1 A 14 14 ALA N N 14 127.291 128.809 -1.518 1
1 46 . 4 1 1 A 15 15 PRO HA H 15 4.399 4.557 -0.158 1
1 49 . 4 1 1 A 15 15 PRO C C 15 177.086 175.453 1.633 1
1 50 . 4 1 1 A 15 15 PRO CA C 15 63.294 62.920 0.374 1
1 51 . 4 1 1 A 15 15 PRO CB C 15 31.988 31.373 0.615 1
1 52 . 4 1 1 A 16 16 GLU H H 16 8.656 8.731 -0.075 1
1 53 . 4 1 1 A 16 16 GLU HA H 16 4.306 4.826 -0.520 1
1 56 . 4 1 1 A 16 16 GLU C C 16 176.897 175.814 1.083 1
1 57 . 4 1 1 A 16 16 GLU CA C 16 56.771 55.535 1.236 1
1 58 . 4 1 1 A 16 16 GLU CB C 16 30.209 32.266 -2.057 1
1 59 . 4 1 1 A 16 16 GLU N N 16 120.957 123.677 -2.720 1
1 60 . 4 1 1 A 17 17 THR H H 17 8.202 8.353 -0.151 1
1 61 . 4 1 1 A 17 17 THR HA H 17 4.336 4.150 0.186 1
1 66 . 4 1 1 A 17 17 THR C C 17 174.612 173.019 1.593 1
1 67 . 4 1 1 A 17 17 THR CA C 17 61.981 62.081 -0.100 1
1 68 . 4 1 1 A 17 17 THR CB C 17 69.928 68.426 1.502 1
1 70 . 4 1 1 A 17 17 THR N N 17 115.763 115.120 0.643 1
1 71 . 4 1 1 A 18 18 LYS H H 18 8.373 8.460 -0.087 1
1 72 . 4 1 1 A 18 18 LYS HA H 18 4.365 4.724 -0.359 1
1 81 . 4 1 1 A 18 18 LYS C C 18 176.509 175.645 0.864 1
1 82 . 4 1 1 A 18 18 LYS CA C 18 56.348 55.237 1.111 1
1 83 . 4 1 1 A 18 18 LYS CB C 18 33.051 33.902 -0.851 1
1 87 . 4 1 1 A 18 18 LYS N N 18 123.975 127.626 -3.651 1
1 88 . 4 1 1 A 19 19 GLN H H 19 8.387 8.366 0.021 1
1 89 . 4 1 1 A 19 19 GLN HA H 19 4.378 4.701 -0.323 1
1 96 . 4 1 1 A 19 19 GLN C C 19 175.630 175.048 0.582 1
1 97 . 4 1 1 A 19 19 GLN CA C 19 55.614 54.373 1.241 1
1 98 . 4 1 1 A 19 19 GLN CB C 19 29.749 30.484 -0.735 1
1 100 . 4 1 1 A 19 19 GLN N N 19 121.480 124.906 -3.426 1
1 102 . 4 1 1 A 20 20 ALA H H 20 8.505 8.746 -0.241 1
1 103 . 4 1 1 A 20 20 ALA HA H 20 4.449 5.445 -0.996 1
1 107 . 4 1 1 A 20 20 ALA C C 20 177.361 176.351 1.010 1
1 108 . 4 1 1 A 20 20 ALA CA C 20 52.165 50.135 2.030 1
1 109 . 4 1 1 A 20 20 ALA CB C 20 19.253 21.757 -2.504 1
1 110 . 4 1 1 A 20 20 ALA N N 20 125.974 121.991 3.983 1
1 111 . 4 1 1 A 21 21 PHE H H 21 8.851 9.195 -0.344 1
1 112 . 4 1 1 A 21 21 PHE HA H 21 4.422 5.045 -0.623 1
1 120 . 4 1 1 A 21 21 PHE C C 21 176.063 174.719 1.344 1
1 121 . 4 1 1 A 21 21 PHE CA C 21 56.142 56.640 -0.498 1
1 122 . 4 1 1 A 21 21 PHE CB C 21 39.867 39.337 0.530 1
1 128 . 4 1 1 A 21 21 PHE N N 21 124.486 120.984 3.502 1
1 129 . 4 1 1 A 22 22 PRO HA H 22 4.856 4.950 -0.094 1
1 136 . 4 1 1 A 22 22 PRO C C 22 174.848 177.200 -2.352 1
1 137 . 4 1 1 A 22 22 PRO CA C 22 62.078 62.257 -0.179 1
1 138 . 4 1 1 A 22 22 PRO CB C 22 28.563 30.420 -1.857 1
1 141 . 4 1 1 A 23 23 ARG H H 23 8.356 8.583 -0.227 1
1 142 . 4 1 1 A 23 23 ARG HA H 23 3.650 4.091 -0.441 1
1 149 . 4 1 1 A 23 23 ARG C C 23 176.762 178.605 -1.843 1
1 150 . 4 1 1 A 23 23 ARG CA C 23 60.448 58.522 1.926 1
1 151 . 4 1 1 A 23 23 ARG CB C 23 31.422 30.122 1.300 1
1 154 . 4 1 1 A 23 23 ARG N N 23 126.815 121.515 5.300 1
1 155 . 4 1 1 A 24 24 LYS H H 24 8.555 7.956 0.599 1
1 156 . 4 1 1 A 24 24 LYS HA H 24 3.926 3.973 -0.047 1
1 165 . 4 1 1 A 24 24 LYS C C 24 179.506 179.613 -0.107 1
1 166 . 4 1 1 A 24 24 LYS CA C 24 59.888 59.361 0.527 1
1 167 . 4 1 1 A 24 24 LYS CB C 24 31.782 32.075 -0.293 1
1 171 . 4 1 1 A 24 24 LYS N N 24 116.573 119.593 -3.020 1
1 172 . 4 1 1 A 25 25 PHE H H 25 7.575 8.252 -0.677 1
1 173 . 4 1 1 A 25 25 PHE HA H 25 4.487 4.333 0.154 1
1 181 . 4 1 1 A 25 25 PHE C C 25 177.447 178.209 -0.762 1
1 182 . 4 1 1 A 25 25 PHE CA C 25 59.779 60.746 -0.967 1
1 183 . 4 1 1 A 25 25 PHE CB C 25 38.791 38.099 0.692 1
1 189 . 4 1 1 A 25 25 PHE N N 25 118.123 118.774 -0.651 1
1 190 . 4 1 1 A 26 26 VAL H H 26 8.024 8.208 -0.184 1
1 191 . 4 1 1 A 26 26 VAL HA H 26 3.608 3.627 -0.019 1
1 199 . 4 1 1 A 26 26 VAL C C 26 177.770 178.171 -0.401 1
1 200 . 4 1 1 A 26 26 VAL CA C 26 66.473 66.880 -0.407 1
1 201 . 4 1 1 A 26 26 VAL CB C 26 31.408 31.621 -0.213 1
1 204 . 4 1 1 A 26 26 VAL N N 26 117.081 119.692 -2.611 1
1 205 . 4 1 1 A 27 27 LEU H H 27 8.220 8.722 -0.502 1
1 206 . 4 1 1 A 27 27 LEU HA H 27 4.234 4.207 0.027 1
1 216 . 4 1 1 A 27 27 LEU C C 27 180.010 179.562 0.448 1
1 217 . 4 1 1 A 27 27 LEU CA C 27 57.864 57.574 0.290 1
1 218 . 4 1 1 A 27 27 LEU CB C 27 40.488 40.444 0.044 1
1 222 . 4 1 1 A 27 27 LEU N N 27 118.748 117.876 0.872 1
1 223 . 4 1 1 A 28 28 ALA H H 28 8.014 8.482 -0.468 1
1 224 . 4 1 1 A 28 28 ALA HA H 28 4.289 4.065 0.224 1
1 228 . 4 1 1 A 28 28 ALA C C 28 179.951 179.434 0.517 1
1 229 . 4 1 1 A 28 28 ALA CA C 28 55.110 55.468 -0.358 1
1 230 . 4 1 1 A 28 28 ALA CB C 28 17.970 17.903 0.067 1
1 231 . 4 1 1 A 28 28 ALA N N 28 124.088 122.424 1.664 1
1 232 . 4 1 1 A 29 29 ALA H H 29 8.259 8.237 0.022 1
1 233 . 4 1 1 A 29 29 ALA HA H 29 3.942 4.591 -0.649 1
1 237 . 4 1 1 A 29 29 ALA C C 29 180.505 180.182 0.323 1
1 238 . 4 1 1 A 29 29 ALA CA C 29 54.976 55.282 -0.306 1
1 239 . 4 1 1 A 29 29 ALA CB C 29 17.923 18.204 -0.281 1
1 240 . 4 1 1 A 29 29 ALA N N 29 120.431 121.062 -0.631 1
1 241 . 4 1 1 A 30 30 LEU H H 30 8.098 8.408 -0.310 1
1 242 . 4 1 1 A 30 30 LEU HA H 30 4.007 4.293 -0.286 1
1 252 . 4 1 1 A 30 30 LEU C C 30 178.315 178.352 -0.037 1
1 253 . 4 1 1 A 30 30 LEU CA C 30 58.096 58.410 -0.314 1
1 254 . 4 1 1 A 30 30 LEU CB C 30 41.486 41.882 -0.396 1
1 258 . 4 1 1 A 30 30 LEU N N 30 120.849 120.740 0.109 1
1 259 . 4 1 1 A 31 31 GLU H H 31 8.115 8.540 -0.425 1
1 260 . 4 1 1 A 31 31 GLU HA H 31 3.967 4.187 -0.220 1
1 265 . 4 1 1 A 31 31 GLU C C 31 179.473 178.025 1.448 1
1 266 . 4 1 1 A 31 31 GLU CA C 31 59.683 59.216 0.467 1
1 267 . 4 1 1 A 31 31 GLU CB C 31 29.402 29.191 0.211 1
1 269 . 4 1 1 A 31 31 GLU N N 31 120.752 117.441 3.311 1
1 270 . 4 1 1 A 32 32 GLN H H 32 7.812 7.671 0.141 1
1 271 . 4 1 1 A 32 32 GLN HA H 32 4.001 4.060 -0.059 1
1 278 . 4 1 1 A 32 32 GLN C C 32 176.519 176.438 0.081 1
1 279 . 4 1 1 A 32 32 GLN CA C 32 57.576 57.914 -0.338 1
1 280 . 4 1 1 A 32 32 GLN CB C 32 29.108 28.181 0.927 1
1 282 . 4 1 1 A 32 32 GLN N N 32 114.711 119.055 -4.344 1
1 284 . 4 1 1 A 33 33 SER H H 33 7.460 7.580 -0.120 1
1 285 . 4 1 1 A 33 33 SER HA H 33 4.257 4.462 -0.205 1
1 288 . 4 1 1 A 33 33 SER C C 33 174.508 174.135 0.373 1
1 289 . 4 1 1 A 33 33 SER CA C 33 58.504 57.996 0.508 1
1 290 . 4 1 1 A 33 33 SER CB C 33 65.131 63.767 1.364 1
1 291 . 4 1 1 A 33 33 SER N N 33 110.604 114.743 -4.139 1
1 292 . 4 1 1 A 34 34 SER H H 34 7.429 7.362 0.067 1
1 293 . 4 1 1 A 34 34 SER HA H 34 4.468 4.451 0.017 1
1 296 . 4 1 1 A 34 34 SER C C 34 174.588 174.378 0.210 1
1 297 . 4 1 1 A 34 34 SER CA C 34 58.556 58.964 -0.408 1
1 298 . 4 1 1 A 34 34 SER CB C 34 65.278 63.876 1.402 1
1 299 . 4 1 1 A 34 34 SER N N 34 117.544 116.956 0.588 1
1 300 . 4 1 1 A 35 35 ASP H H 35 8.822 9.267 -0.445 1
1 301 . 4 1 1 A 35 35 ASP HA H 35 4.778 4.895 -0.117 1
1 304 . 4 1 1 A 35 35 ASP C C 35 178.268 177.612 0.656 1
1 305 . 4 1 1 A 35 35 ASP CA C 35 52.849 53.820 -0.971 1
1 306 . 4 1 1 A 35 35 ASP CB C 35 41.314 42.067 -0.753 1
1 307 . 4 1 1 A 35 35 ASP N N 35 121.575 123.680 -2.105 1
1 308 . 4 1 1 A 36 36 ASP H H 36 8.483 8.927 -0.444 1
1 309 . 4 1 1 A 36 36 ASP HA H 36 4.414 4.295 0.119 1
1 312 . 4 1 1 A 36 36 ASP C C 36 176.670 177.609 -0.939 1
1 313 . 4 1 1 A 36 36 ASP CA C 36 56.605 58.111 -1.506 1
1 314 . 4 1 1 A 36 36 ASP CB C 36 40.286 40.794 -0.508 1
1 315 . 4 1 1 A 36 36 ASP N N 36 117.398 122.688 -5.290 1
1 316 . 4 1 1 A 37 37 ALA H H 37 8.242 7.565 0.677 1
1 317 . 4 1 1 A 37 37 ALA HA H 37 4.532 4.388 0.144 1
1 321 . 4 1 1 A 37 37 ALA C C 37 177.407 177.961 -0.554 1
1 322 . 4 1 1 A 37 37 ALA CA C 37 51.677 52.018 -0.341 1
1 323 . 4 1 1 A 37 37 ALA CB C 37 19.774 19.419 0.355 1
1 324 . 4 1 1 A 37 37 ALA N N 37 122.052 118.318 3.734 1
1 325 . 4 1 1 A 38 38 GLY H H 38 8.155 8.281 -0.126 1
1 326 . 4 1 1 A 38 38 GLY HA2 H 38 3.624 3.849 -0.225 1
1 327 . 4 1 1 A 38 38 GLY HA3 H 38 4.080 3.901 0.179 1
1 328 . 4 1 1 A 38 38 GLY C C 38 173.417 173.961 -0.544 1
1 329 . 4 1 1 A 38 38 GLY CA C 38 45.093 45.539 -0.446 1
1 330 . 4 1 1 A 38 38 GLY N N 38 107.721 106.724 0.997 1
1 331 . 4 1 1 A 39 39 TRP H H 39 8.449 8.030 0.419 1
1 332 . 4 1 1 A 39 39 TRP HA H 39 5.054 4.655 0.399 1
1 341 . 4 1 1 A 39 39 TRP C C 39 176.577 176.211 0.366 1
1 342 . 4 1 1 A 39 39 TRP CA C 39 56.596 57.761 -1.165 1
1 343 . 4 1 1 A 39 39 TRP CB C 39 32.184 30.669 1.515 1
1 349 . 4 1 1 A 39 39 TRP N N 39 119.797 121.213 -1.416 1
1 351 . 4 1 1 A 40 40 ALA H H 40 9.855 9.384 0.471 1
1 352 . 4 1 1 A 40 40 ALA HA H 40 5.099 5.285 -0.186 1
1 356 . 4 1 1 A 40 40 ALA C C 40 176.165 176.571 -0.406 1
1 357 . 4 1 1 A 40 40 ALA CA C 40 50.202 50.424 -0.222 1
1 358 . 4 1 1 A 40 40 ALA CB C 40 23.153 20.972 2.181 1
1 359 . 4 1 1 A 40 40 ALA N N 40 124.618 125.776 -1.158 1
1 360 . 4 1 1 A 41 41 ASN H H 41 8.794 8.571 0.223 1
1 361 . 4 1 1 A 41 41 ASN HA H 41 3.771 4.096 -0.325 1
1 366 . 4 1 1 A 41 41 ASN C C 41 175.824 176.329 -0.505 1
1 367 . 4 1 1 A 41 41 ASN CA C 41 52.724 53.231 -0.507 1
1 368 . 4 1 1 A 41 41 ASN CB C 41 39.927 39.755 0.172 1
1 369 . 4 1 1 A 41 41 ASN N N 41 121.050 121.209 -0.159 1
1 371 . 4 1 1 A 42 42 LEU H H 42 8.493 8.778 -0.285 1
1 372 . 4 1 1 A 42 42 LEU HA H 42 3.834 4.078 -0.244 1
1 382 . 4 1 1 A 42 42 LEU C C 42 178.256 179.371 -1.115 1
1 383 . 4 1 1 A 42 42 LEU CA C 42 58.859 58.377 0.482 1
1 384 . 4 1 1 A 42 42 LEU CB C 42 42.233 41.947 0.286 1
1 388 . 4 1 1 A 42 42 LEU N N 42 126.418 129.074 -2.656 1
1 389 . 4 1 1 A 43 43 GLY H H 43 8.440 7.933 0.507 1
1 390 . 4 1 1 A 43 43 GLY HA2 H 43 3.912 3.731 0.181 1
1 391 . 4 1 1 A 43 43 GLY HA3 H 43 3.822 3.745 0.077 1
1 392 . 4 1 1 A 43 43 GLY C C 43 176.344 176.471 -0.127 1
1 393 . 4 1 1 A 43 43 GLY CA C 43 47.070 47.196 -0.126 1
1 394 . 4 1 1 A 43 43 GLY N N 43 106.800 106.373 0.427 1
1 395 . 4 1 1 A 44 44 ASN H H 44 7.916 7.872 0.044 1
1 396 . 4 1 1 A 44 44 ASN HA H 44 4.472 4.505 -0.033 1
1 401 . 4 1 1 A 44 44 ASN C C 44 177.888 177.812 0.076 1
1 402 . 4 1 1 A 44 44 ASN CA C 44 56.004 55.792 0.212 1
1 403 . 4 1 1 A 44 44 ASN CB C 44 38.316 38.405 -0.089 1
1 404 . 4 1 1 A 44 44 ASN N N 44 121.472 120.467 1.005 1
1 406 . 4 1 1 A 45 45 PHE H H 45 8.563 8.468 0.095 1
1 407 . 4 1 1 A 45 45 PHE HA H 45 4.498 4.322 0.176 1
1 415 . 4 1 1 A 45 45 PHE C C 45 176.732 177.953 -1.221 1
1 416 . 4 1 1 A 45 45 PHE CA C 45 60.350 60.433 -0.083 1
1 417 . 4 1 1 A 45 45 PHE CB C 45 38.824 39.130 -0.306 1
1 423 . 4 1 1 A 45 45 PHE N N 45 121.835 121.686 0.149 1
1 424 . 4 1 1 A 46 46 GLY H H 46 8.933 8.860 0.073 1
1 425 . 4 1 1 A 46 46 GLY HA2 H 46 3.820 3.398 0.422 1
1 426 . 4 1 1 A 46 46 GLY HA3 H 46 3.186 3.612 -0.426 1
1 427 . 4 1 1 A 46 46 GLY C C 46 176.053 175.675 0.378 1
1 428 . 4 1 1 A 46 46 GLY CA C 46 47.171 46.877 0.294 1
1 429 . 4 1 1 A 46 46 GLY N N 46 106.269 106.485 -0.216 1
1 430 . 4 1 1 A 47 47 ASN H H 47 7.812 8.353 -0.541 1
1 431 . 4 1 1 A 47 47 ASN HA H 47 4.470 4.399 0.071 1
1 436 . 4 1 1 A 47 47 ASN C C 47 178.087 177.349 0.738 1
1 437 . 4 1 1 A 47 47 ASN CA C 47 55.974 56.197 -0.223 1
1 438 . 4 1 1 A 47 47 ASN CB C 47 38.149 39.277 -1.128 1
1 439 . 4 1 1 A 47 47 ASN N N 47 120.030 120.002 0.028 1
1 441 . 4 1 1 A 48 48 TYR H H 48 8.093 7.924 0.169 1
1 442 . 4 1 1 A 48 48 TYR HA H 48 4.007 4.163 -0.156 1
1 449 . 4 1 1 A 48 48 TYR C C 48 178.310 177.476 0.834 1
1 450 . 4 1 1 A 48 48 TYR CA C 48 62.527 60.991 1.536 1
1 451 . 4 1 1 A 48 48 TYR CB C 48 38.254 38.852 -0.598 1
1 456 . 4 1 1 A 48 48 TYR N N 48 121.030 120.051 0.979 1
1 457 . 4 1 1 A 49 49 LEU H H 49 8.480 8.286 0.194 1
1 458 . 4 1 1 A 49 49 LEU HA H 49 3.624 3.895 -0.271 1
1 468 . 4 1 1 A 49 49 LEU C C 49 177.653 178.299 -0.646 1
1 469 . 4 1 1 A 49 49 LEU CA C 49 58.321 58.034 0.287 1
1 470 . 4 1 1 A 49 49 LEU CB C 49 41.046 40.949 0.097 1
1 474 . 4 1 1 A 49 49 LEU N N 49 121.024 121.093 -0.069 1
1 475 . 4 1 1 A 50 50 ASN H H 50 7.564 7.838 -0.274 1
1 476 . 4 1 1 A 50 50 ASN HA H 50 4.493 4.533 -0.040 1
1 481 . 4 1 1 A 50 50 ASN C C 50 176.498 177.357 -0.859 1
1 482 . 4 1 1 A 50 50 ASN CA C 50 55.479 55.462 0.017 1
1 483 . 4 1 1 A 50 50 ASN CB C 50 39.302 38.962 0.340 1
1 484 . 4 1 1 A 50 50 ASN N N 50 114.582 116.233 -1.651 1
1 486 . 4 1 1 A 51 51 LYS H H 51 7.370 7.839 -0.469 1
1 487 . 4 1 1 A 51 51 LYS HA H 51 3.990 4.008 -0.018 1
1 496 . 4 1 1 A 51 51 LYS C C 51 178.403 178.637 -0.234 1
1 497 . 4 1 1 A 51 51 LYS CA C 51 58.512 58.638 -0.126 1
1 498 . 4 1 1 A 51 51 LYS CB C 51 32.245 31.819 0.426 1
1 502 . 4 1 1 A 51 51 LYS N N 51 118.289 118.717 -0.428 1
1 503 . 4 1 1 A 52 52 LEU H H 52 7.518 7.323 0.195 1
1 504 . 4 1 1 A 52 52 LEU HA H 52 4.085 4.159 -0.074 1
1 514 . 4 1 1 A 52 52 LEU C C 52 177.924 176.795 1.129 1
1 515 . 4 1 1 A 52 52 LEU CA C 52 56.424 56.218 0.206 1
1 516 . 4 1 1 A 52 52 LEU CB C 52 42.952 43.633 -0.681 1
1 520 . 4 1 1 A 52 52 LEU N N 52 117.841 118.435 -0.594 1
1 521 . 4 1 1 A 53 53 GLN H H 53 8.438 7.911 0.527 1
1 522 . 4 1 1 A 53 53 GLN HA H 53 4.583 4.695 -0.112 1
1 529 . 4 1 1 A 53 53 GLN C C 53 172.039 174.187 -2.148 1
1 530 . 4 1 1 A 53 53 GLN CA C 53 52.780 53.580 -0.800 1
1 531 . 4 1 1 A 53 53 GLN CB C 53 29.902 29.021 0.881 1
1 533 . 4 1 1 A 53 53 GLN N N 53 118.578 118.141 0.437 1
1 535 . 4 1 1 A 54 54 PRO HA H 54 4.718 4.446 0.272 1
1 542 . 4 1 1 A 54 54 PRO C C 54 177.295 177.399 -0.104 1
1 543 . 4 1 1 A 54 54 PRO CA C 54 64.754 64.342 0.412 1
1 544 . 4 1 1 A 54 54 PRO CB C 54 31.924 31.895 0.029 1
1 547 . 4 1 1 A 55 55 ASP H H 55 8.349 8.414 -0.065 1
1 548 . 4 1 1 A 55 55 ASP HA H 55 4.596 4.600 -0.004 1
1 551 . 4 1 1 A 55 55 ASP C C 55 176.361 176.050 0.311 1
1 552 . 4 1 1 A 55 55 ASP CA C 55 53.467 55.183 -1.716 1
1 553 . 4 1 1 A 55 55 ASP CB C 55 40.050 40.722 -0.672 1
1 554 . 4 1 1 A 55 55 ASP N N 55 114.766 116.671 -1.905 1
1 555 . 4 1 1 A 56 56 PHE H H 56 8.187 7.954 0.233 1
1 556 . 4 1 1 A 56 56 PHE HA H 56 4.055 5.017 -0.962 1
1 564 . 4 1 1 A 56 56 PHE C C 56 175.257 173.687 1.570 1
1 565 . 4 1 1 A 56 56 PHE CA C 56 61.149 56.150 4.999 1
1 566 . 4 1 1 A 56 56 PHE CB C 56 38.680 39.884 -1.204 1
1 572 . 4 1 1 A 56 56 PHE N N 56 122.323 121.116 1.207 1
1 573 . 4 1 1 A 57 57 ASP H H 57 6.887 8.647 -1.760 1
1 574 . 4 1 1 A 57 57 ASP HA H 57 4.670 4.969 -0.299 1
1 577 . 4 1 1 A 57 57 ASP C C 57 176.308 176.896 -0.588 1
1 578 . 4 1 1 A 57 57 ASP CA C 57 52.895 52.785 0.110 1
1 579 . 4 1 1 A 57 57 ASP CB C 57 42.942 43.245 -0.303 1
1 580 . 4 1 1 A 57 57 ASP N N 57 127.342 128.254 -0.912 1
1 581 . 4 1 1 A 58 58 SER H H 58 9.284 8.921 0.363 1
1 582 . 4 1 1 A 58 58 SER HA H 58 3.991 4.123 -0.132 1
1 585 . 4 1 1 A 58 58 SER C C 58 176.248 176.515 -0.267 1
1 586 . 4 1 1 A 58 58 SER CA C 58 63.050 61.728 1.322 1
1 587 . 4 1 1 A 58 58 SER CB C 58 63.339 62.582 0.757 1
1 588 . 4 1 1 A 58 58 SER N N 58 123.478 121.722 1.756 1
1 589 . 4 1 1 A 59 59 ARG H H 59 8.639 7.668 0.971 1
1 590 . 4 1 1 A 59 59 ARG HA H 59 4.073 4.181 -0.108 1
1 597 . 4 1 1 A 59 59 ARG C C 59 180.693 178.841 1.852 1
1 598 . 4 1 1 A 59 59 ARG CA C 59 58.787 58.929 -0.142 1
1 599 . 4 1 1 A 59 59 ARG CB C 59 29.824 29.944 -0.120 1
1 602 . 4 1 1 A 59 59 ARG N N 59 123.207 123.014 0.193 1
1 603 . 4 1 1 A 60 60 LEU H H 60 7.460 7.977 -0.517 1
1 604 . 4 1 1 A 60 60 LEU HA H 60 3.841 3.917 -0.076 1
1 614 . 4 1 1 A 60 60 LEU C C 60 177.018 177.558 -0.540 1
1 615 . 4 1 1 A 60 60 LEU CA C 60 56.556 57.475 -0.919 1
1 616 . 4 1 1 A 60 60 LEU CB C 60 41.013 41.336 -0.323 1
1 620 . 4 1 1 A 60 60 LEU N N 60 120.191 119.032 1.159 1
1 621 . 4 1 1 A 61 61 TYR H H 61 7.200 7.641 -0.441 1
1 622 . 4 1 1 A 61 61 TYR HA H 61 4.781 4.643 0.138 1
1 629 . 4 1 1 A 61 61 TYR C C 61 175.303 175.953 -0.650 1
1 630 . 4 1 1 A 61 61 TYR CA C 61 56.371 57.713 -1.342 1
1 631 . 4 1 1 A 61 61 TYR CB C 61 38.825 38.683 0.142 1
1 636 . 4 1 1 A 61 61 TYR N N 61 114.720 116.371 -1.651 1
1 637 . 4 1 1 A 62 62 GLY H H 62 7.354 8.066 -0.712 1
1 638 . 4 1 1 A 62 62 GLY HA2 H 62 3.968 3.844 0.124 1
1 639 . 4 1 1 A 62 62 GLY HA3 H 62 3.552 3.895 -0.343 1
1 640 . 4 1 1 A 62 62 GLY C C 62 173.542 173.957 -0.415 1
1 641 . 4 1 1 A 62 62 GLY CA C 62 44.889 45.977 -1.088 1
1 642 . 4 1 1 A 62 62 GLY N N 62 104.100 109.224 -5.124 1
1 643 . 4 1 1 A 63 63 TYR H H 63 7.377 7.628 -0.251 1
1 644 . 4 1 1 A 63 63 TYR HA H 63 4.937 4.746 0.191 1
1 651 . 4 1 1 A 63 63 TYR C C 63 175.675 176.120 -0.445 1
1 652 . 4 1 1 A 63 63 TYR CA C 63 56.902 57.816 -0.914 1
1 653 . 4 1 1 A 63 63 TYR CB C 63 42.609 40.701 1.908 1
1 658 . 4 1 1 A 63 63 TYR N N 63 117.874 119.049 -1.175 1
1 659 . 4 1 1 A 64 64 LYS H H 64 9.403 9.114 0.289 1
1 660 . 4 1 1 A 64 64 LYS HA H 64 3.914 4.282 -0.368 1
1 669 . 4 1 1 A 64 64 LYS C C 64 176.334 176.614 -0.280 1
1 670 . 4 1 1 A 64 64 LYS CA C 64 59.534 57.783 1.751 1
1 671 . 4 1 1 A 64 64 LYS CB C 64 32.892 32.988 -0.096 1
1 675 . 4 1 1 A 64 64 LYS N N 64 123.946 122.452 1.494 1
1 676 . 4 1 1 A 65 65 LYS H H 65 7.635 7.607 0.028 1
1 677 . 4 1 1 A 65 65 LYS HA H 65 4.787 4.718 0.069 1
1 686 . 4 1 1 A 65 65 LYS C C 65 177.231 176.585 0.646 1
1 687 . 4 1 1 A 65 65 LYS CA C 65 54.089 55.060 -0.971 1
1 688 . 4 1 1 A 65 65 LYS CB C 65 35.722 33.906 1.816 1
1 692 . 4 1 1 A 65 65 LYS N N 65 112.461 114.790 -2.329 1
1 693 . 4 1 1 A 66 66 LEU H H 66 9.090 8.662 0.428 1
1 694 . 4 1 1 A 66 66 LEU HA H 66 4.240 4.030 0.210 1
1 704 . 4 1 1 A 66 66 LEU C C 66 178.820 178.264 0.556 1
1 705 . 4 1 1 A 66 66 LEU CA C 66 58.129 58.250 -0.121 1
1 706 . 4 1 1 A 66 66 LEU CB C 66 41.476 41.359 0.117 1
1 710 . 4 1 1 A 66 66 LEU N N 66 124.584 121.404 3.180 1
1 711 . 4 1 1 A 67 67 SER H H 67 8.867 8.356 0.511 1
1 712 . 4 1 1 A 67 67 SER HA H 67 3.697 4.190 -0.493 1
1 715 . 4 1 1 A 67 67 SER C C 67 175.588 176.088 -0.500 1
1 716 . 4 1 1 A 67 67 SER CA C 67 61.518 61.363 0.155 1
1 717 . 4 1 1 A 67 67 SER CB C 67 61.537 62.562 -1.025 1
1 718 . 4 1 1 A 67 67 SER N N 67 112.095 114.597 -2.502 1
1 719 . 4 1 1 A 68 68 ASP H H 68 6.783 8.341 -1.558 1
1 720 . 4 1 1 A 68 68 ASP HA H 68 4.356 4.474 -0.118 1
1 723 . 4 1 1 A 68 68 ASP C C 68 177.827 178.232 -0.405 1
1 724 . 4 1 1 A 68 68 ASP CA C 68 57.170 57.527 -0.357 1
1 725 . 4 1 1 A 68 68 ASP CB C 68 41.380 42.705 -1.325 1
1 726 . 4 1 1 A 68 68 ASP N N 68 119.720 121.548 -1.828 1
1 727 . 4 1 1 A 69 69 LEU H H 69 7.153 7.313 -0.160 1
1 728 . 4 1 1 A 69 69 LEU HA H 69 2.561 2.985 -0.424 1
1 738 . 4 1 1 A 69 69 LEU C C 69 177.830 178.490 -0.660 1
1 739 . 4 1 1 A 69 69 LEU CA C 69 58.843 57.806 1.037 1
1 740 . 4 1 1 A 69 69 LEU CB C 69 42.203 41.609 0.594 1
1 744 . 4 1 1 A 69 69 LEU N N 69 122.181 120.218 1.963 1
1 745 . 4 1 1 A 70 70 VAL H H 70 8.167 8.243 -0.076 1
1 746 . 4 1 1 A 70 70 VAL HA H 70 3.509 3.623 -0.114 1
1 754 . 4 1 1 A 70 70 VAL C C 70 177.695 178.171 -0.476 1
1 755 . 4 1 1 A 70 70 VAL CA C 70 65.582 67.115 -1.533 1
1 756 . 4 1 1 A 70 70 VAL CB C 70 31.409 31.251 0.158 1
1 759 . 4 1 1 A 70 70 VAL N N 70 116.117 119.274 -3.157 1
1 760 . 4 1 1 A 71 71 LYS H H 71 7.665 8.340 -0.675 1
1 761 . 4 1 1 A 71 71 LYS HA H 71 3.854 4.128 -0.274 1
1 770 . 4 1 1 A 71 71 LYS C C 71 177.406 177.931 -0.525 1
1 771 . 4 1 1 A 71 71 LYS CA C 71 59.175 58.796 0.379 1
1 772 . 4 1 1 A 71 71 LYS CB C 71 32.804 31.998 0.806 1
1 776 . 4 1 1 A 71 71 LYS N N 71 116.326 119.904 -3.578 1
1 777 . 4 1 1 A 72 72 ALA H H 72 7.506 7.310 0.196 1
1 778 . 4 1 1 A 72 72 ALA HA H 72 4.391 4.312 0.079 1
1 782 . 4 1 1 A 72 72 ALA C C 72 180.756 177.679 3.077 1
1 783 . 4 1 1 A 72 72 ALA CA C 72 53.691 53.364 0.327 1
1 784 . 4 1 1 A 72 72 ALA CB C 72 20.243 19.145 1.098 1
1 785 . 4 1 1 A 72 72 ALA N N 72 118.313 120.749 -2.436 1
1 786 . 4 1 1 A 73 73 ARG H H 73 7.603 7.741 -0.138 1
1 787 . 4 1 1 A 73 73 ARG HA H 73 4.872 4.582 0.290 1
1 795 . 4 1 1 A 73 73 ARG C C 73 177.558 176.122 1.436 1
1 796 . 4 1 1 A 73 73 ARG CA C 73 51.230 54.865 -3.635 1
1 797 . 4 1 1 A 73 73 ARG CB C 73 25.568 30.160 -4.592 1
1 800 . 4 1 1 A 73 73 ARG N N 73 118.690 117.785 0.905 1
1 802 . 4 1 1 A 74 74 THR H H 74 8.261 7.984 0.277 1
1 803 . 4 1 1 A 74 74 THR HA H 74 4.552 4.525 0.027 1
1 808 . 4 1 1 A 74 74 THR C C 74 174.706 175.903 -1.197 1
1 809 . 4 1 1 A 74 74 THR CA C 74 62.876 64.602 -1.726 1
1 810 . 4 1 1 A 74 74 THR CB C 74 68.716 68.413 0.303 1
1 812 . 4 1 1 A 74 74 THR N N 74 115.950 112.875 3.075 1
1 813 . 4 1 1 A 75 75 ASP H H 75 9.542 8.178 1.364 1
1 814 . 4 1 1 A 75 75 ASP HA H 75 4.310 4.241 0.069 1
1 817 . 4 1 1 A 75 75 ASP C C 75 175.958 177.765 -1.807 1
1 818 . 4 1 1 A 75 75 ASP CA C 75 54.476 57.552 -3.076 1
1 819 . 4 1 1 A 75 75 ASP CB C 75 38.969 41.714 -2.745 1
1 820 . 4 1 1 A 75 75 ASP N N 75 116.582 121.944 -5.362 1
1 821 . 4 1 1 A 76 76 LEU H H 76 7.078 7.351 -0.273 1
1 822 . 4 1 1 A 76 76 LEU HA H 76 4.225 3.973 0.252 1
1 832 . 4 1 1 A 76 76 LEU C C 76 177.244 176.318 0.926 1
1 833 . 4 1 1 A 76 76 LEU CA C 76 55.349 55.889 -0.540 1
1 834 . 4 1 1 A 76 76 LEU CB C 76 43.508 43.108 0.400 1
1 838 . 4 1 1 A 76 76 LEU N N 76 117.639 117.797 -0.158 1
1 839 . 4 1 1 A 77 77 PHE H H 77 7.977 7.562 0.415 1
1 840 . 4 1 1 A 77 77 PHE HA H 77 5.648 5.154 0.494 1
1 848 . 4 1 1 A 77 77 PHE C C 77 175.868 174.404 1.464 1
1 849 . 4 1 1 A 77 77 PHE CA C 77 54.878 56.379 -1.501 1
1 850 . 4 1 1 A 77 77 PHE CB C 77 42.833 42.581 0.252 1
1 856 . 4 1 1 A 77 77 PHE N N 77 115.989 115.012 0.977 1
1 857 . 4 1 1 A 78 78 VAL H H 78 8.863 9.049 -0.186 1
1 858 . 4 1 1 A 78 78 VAL HA H 78 4.425 4.550 -0.125 1
1 866 . 4 1 1 A 78 78 VAL C C 78 175.288 175.670 -0.382 1
1 867 . 4 1 1 A 78 78 VAL CA C 78 61.575 61.747 -0.172 1
1 868 . 4 1 1 A 78 78 VAL CB C 78 33.988 32.429 1.559 1
1 871 . 4 1 1 A 78 78 VAL N N 78 123.339 122.783 0.556 1
1 872 . 4 1 1 A 79 79 THR H H 79 8.305 9.119 -0.814 1
1 873 . 4 1 1 A 79 79 THR HA H 79 5.882 5.663 0.219 1
1 878 . 4 1 1 A 79 79 THR C C 79 174.566 173.807 0.759 1
1 879 . 4 1 1 A 79 79 THR CA C 79 59.476 60.487 -1.011 1
1 880 . 4 1 1 A 79 79 THR CB C 79 73.090 70.937 2.153 1
1 882 . 4 1 1 A 79 79 THR N N 79 113.057 119.811 -6.754 1
1 883 . 4 1 1 A 80 80 GLU H H 80 8.962 9.081 -0.119 1
1 884 . 4 1 1 A 80 80 GLU HA H 80 4.589 4.976 -0.387 1
1 889 . 4 1 1 A 80 80 GLU C C 80 174.040 175.550 -1.510 1
1 890 . 4 1 1 A 80 80 GLU CA C 80 55.878 54.587 1.291 1
1 891 . 4 1 1 A 80 80 GLU CB C 80 33.399 33.275 0.124 1
1 893 . 4 1 1 A 80 80 GLU N N 80 117.934 122.480 -4.546 1
1 894 . 4 1 1 A 81 81 GLU H H 81 8.687 8.847 -0.160 1
1 895 . 4 1 1 A 81 81 GLU HA H 81 5.213 4.854 0.359 1
1 900 . 4 1 1 A 81 81 GLU C C 81 176.406 175.523 0.883 1
1 901 . 4 1 1 A 81 81 GLU CA C 81 55.186 56.130 -0.944 1
1 902 . 4 1 1 A 81 81 GLU CB C 81 31.544 30.513 1.031 1
1 904 . 4 1 1 A 81 81 GLU N N 81 122.400 123.800 -1.400 1
1 905 . 4 1 1 A 82 82 ARG H H 82 9.118 9.365 -0.247 1
1 906 . 4 1 1 A 82 82 ARG HA H 82 4.635 4.781 -0.146 1
1 914 . 4 1 1 A 82 82 ARG C C 82 175.222 174.737 0.485 1
1 915 . 4 1 1 A 82 82 ARG CA C 82 54.746 54.434 0.312 1
1 916 . 4 1 1 A 82 82 ARG CB C 82 33.719 32.752 0.967 1
1 919 . 4 1 1 A 82 82 ARG N N 82 121.851 124.598 -2.747 1
1 921 . 4 1 1 A 83 83 GLN H H 83 8.642 8.571 0.071 1
1 922 . 4 1 1 A 83 83 GLN HA H 83 4.340 4.622 -0.282 1
1 927 . 4 1 1 A 83 83 GLN C C 83 175.705 175.146 0.559 1
1 928 . 4 1 1 A 83 83 GLN CA C 83 56.094 55.604 0.490 1
1 929 . 4 1 1 A 83 83 GLN CB C 83 29.424 29.215 0.209 1
1 931 . 4 1 1 A 83 83 GLN N N 83 121.976 122.600 -0.624 1
1 932 . 4 1 1 A 84 84 VAL H H 84 8.818 8.420 0.398 1
1 933 . 4 1 1 A 84 84 VAL HA H 84 4.399 4.519 -0.120 1
1 941 . 4 1 1 A 84 84 VAL C C 84 174.439 174.592 -0.153 1
1 942 . 4 1 1 A 84 84 VAL CA C 84 59.977 59.206 0.771 1
1 943 . 4 1 1 A 84 84 VAL CB C 84 32.948 32.254 0.694 1
1 946 . 4 1 1 A 84 84 VAL N N 84 128.548 127.071 1.477 1
1 947 . 4 1 1 A 85 85 PRO HA H 85 4.313 4.275 0.038 1
1 954 . 4 1 1 A 85 85 PRO C C 85 178.026 177.361 0.665 1
1 955 . 4 1 1 A 85 85 PRO CA C 85 64.139 63.814 0.325 1
1 956 . 4 1 1 A 85 85 PRO CB C 85 31.744 31.399 0.345 1
1 959 . 4 1 1 A 86 86 GLY H H 86 8.815 8.803 0.012 1
1 960 . 4 1 1 A 86 86 GLY HA2 H 86 3.751 3.903 -0.152 1
1 961 . 4 1 1 A 86 86 GLY HA3 H 86 4.148 3.906 0.242 1
1 962 . 4 1 1 A 86 86 GLY C C 86 173.673 173.811 -0.138 1
1 963 . 4 1 1 A 86 86 GLY CA C 86 45.661 45.229 0.432 1
1 964 . 4 1 1 A 86 86 GLY N N 86 111.839 113.334 -1.495 1
1 965 . 4 1 1 A 87 87 SER H H 87 8.029 7.615 0.414 1
1 966 . 4 1 1 A 87 87 SER HA H 87 4.955 4.586 0.369 1
1 969 . 4 1 1 A 87 87 SER C C 87 174.293 174.074 0.219 1
1 970 . 4 1 1 A 87 87 SER CA C 87 56.119 58.345 -2.226 1
1 971 . 4 1 1 A 87 87 SER CB C 87 65.288 65.007 0.281 1
1 972 . 4 1 1 A 87 87 SER N N 87 114.255 116.603 -2.348 1
1 973 . 4 1 1 A 88 88 THR H H 88 8.366 8.519 -0.153 1
1 974 . 4 1 1 A 88 88 THR HA H 88 4.438 4.291 0.147 1
1 979 . 4 1 1 A 88 88 THR C C 88 175.360 174.334 1.026 1
1 980 . 4 1 1 A 88 88 THR CA C 88 62.103 63.928 -1.825 1
1 981 . 4 1 1 A 88 88 THR CB C 88 69.017 69.679 -0.662 1
1 983 . 4 1 1 A 88 88 THR N N 88 112.921 119.238 -6.317 1
1 984 . 4 1 1 A 89 89 GLN H H 89 8.342 7.553 0.789 1
1 985 . 4 1 1 A 89 89 GLN HA H 89 4.382 4.588 -0.206 1
1 990 . 4 1 1 A 89 89 GLN C C 89 175.462 175.613 -0.151 1
1 991 . 4 1 1 A 89 89 GLN CA C 89 55.599 55.282 0.317 1
1 992 . 4 1 1 A 89 89 GLN CB C 89 30.016 30.259 -0.243 1
1 994 . 4 1 1 A 89 89 GLN N N 89 122.086 116.848 5.238 1
1 995 . 4 1 1 A 90 90 LYS H H 90 8.584 8.390 0.194 1
1 996 . 4 1 1 A 90 90 LYS HA H 90 4.779 4.755 0.024 1
1 1005 . 4 1 1 A 90 90 LYS C C 90 175.897 176.049 -0.152 1
1 1006 . 4 1 1 A 90 90 LYS CA C 90 55.590 55.933 -0.343 1
1 1007 . 4 1 1 A 90 90 LYS CB C 90 34.742 33.452 1.290 1
1 1011 . 4 1 1 A 90 90 LYS N N 90 121.945 119.813 2.132 1
1 1012 . 4 1 1 A 91 91 ALA H H 91 8.975 8.852 0.123 1
1 1013 . 4 1 1 A 91 91 ALA HA H 91 4.738 5.219 -0.481 1
1 1017 . 4 1 1 A 91 91 ALA C C 91 175.585 174.916 0.669 1
1 1018 . 4 1 1 A 91 91 ALA CA C 91 50.741 50.129 0.612 1
1 1019 . 4 1 1 A 91 91 ALA CB C 91 22.890 23.128 -0.238 1
1 1020 . 4 1 1 A 91 91 ALA N N 91 124.604 123.067 1.537 1
1 1021 . 4 1 1 A 92 92 LEU H H 92 8.523 8.540 -0.017 1
1 1022 . 4 1 1 A 92 92 LEU HA H 92 4.707 4.999 -0.292 1
1 1032 . 4 1 1 A 92 92 LEU C C 92 174.752 174.392 0.360 1
1 1033 . 4 1 1 A 92 92 LEU CA C 92 55.285 53.325 1.960 1
1 1034 . 4 1 1 A 92 92 LEU CB C 92 43.267 43.857 -0.590 1
1 1038 . 4 1 1 A 92 92 LEU N N 92 123.888 122.078 1.810 1
1 1039 . 4 1 1 A 93 93 TYR H H 93 9.289 9.347 -0.058 1
1 1040 . 4 1 1 A 93 93 TYR HA H 93 5.269 5.353 -0.084 1
1 1047 . 4 1 1 A 93 93 TYR C C 93 174.528 175.769 -1.241 1
1 1048 . 4 1 1 A 93 93 TYR CA C 93 56.505 56.952 -0.447 1
1 1049 . 4 1 1 A 93 93 TYR CB C 93 41.881 40.925 0.956 1
1 1054 . 4 1 1 A 93 93 TYR N N 93 126.872 127.770 -0.898 1
1 1055 . 4 1 1 A 94 94 LEU H H 94 9.551 9.263 0.288 1
1 1056 . 4 1 1 A 94 94 LEU HA H 94 5.869 5.529 0.340 1
1 1066 . 4 1 1 A 94 94 LEU C C 94 173.433 175.225 -1.792 1
1 1067 . 4 1 1 A 94 94 LEU CA C 94 54.131 53.396 0.735 1
1 1068 . 4 1 1 A 94 94 LEU CB C 94 46.320 45.559 0.761 1
1 1072 . 4 1 1 A 94 94 LEU N N 94 117.884 123.354 -5.470 1
1 1073 . 4 1 1 A 95 95 ARG H H 95 8.603 8.792 -0.189 1
1 1074 . 4 1 1 A 95 95 ARG HA H 95 4.707 4.753 -0.046 1
1 1082 . 4 1 1 A 95 95 ARG C C 95 174.605 174.494 0.111 1
1 1083 . 4 1 1 A 95 95 ARG CA C 95 53.795 53.516 0.279 1
1 1084 . 4 1 1 A 95 95 ARG CB C 95 33.468 33.128 0.340 1
1 1087 . 4 1 1 A 95 95 ARG N N 95 116.939 120.976 -4.037 1
1 1089 . 4 1 1 A 96 96 ALA H H 96 9.072 8.472 0.600 1
1 1090 . 4 1 1 A 96 96 ALA HA H 96 4.404 4.427 -0.023 1
1 1094 . 4 1 1 A 96 96 ALA C C 96 177.811 176.778 1.033 1
1 1095 . 4 1 1 A 96 96 ALA CA C 96 52.324 52.023 0.301 1
1 1096 . 4 1 1 A 96 96 ALA CB C 96 18.248 19.302 -1.054 1
1 1097 . 4 1 1 A 96 96 ALA N N 96 124.914 123.570 1.344 1
1 1098 . 4 1 1 A 97 97 LYS H H 97 7.989 8.088 -0.099 1
1 1099 . 4 1 1 A 97 97 LYS HA H 97 3.922 4.469 -0.547 1
1 1108 . 4 1 1 A 97 97 LYS C C 97 175.978 174.989 0.989 1
1 1109 . 4 1 1 A 97 97 LYS CA C 97 56.915 56.502 0.413 1
1 1110 . 4 1 1 A 97 97 LYS CB C 97 32.864 32.867 -0.003 1
1 1114 . 4 1 1 A 97 97 LYS N N 97 123.129 122.993 0.136 1
1 1115 . 4 1 1 A 98 98 LEU H H 98 8.118 9.113 -0.995 1
1 1116 . 4 1 1 A 98 98 LEU HA H 98 4.321 4.697 -0.376 1
1 1126 . 4 1 1 A 98 98 LEU C C 98 176.592 175.261 1.331 1
1 1127 . 4 1 1 A 98 98 LEU CA C 98 54.627 53.881 0.746 1
1 1128 . 4 1 1 A 98 98 LEU CB C 98 42.566 41.905 0.661 1
1 1132 . 4 1 1 A 98 98 LEU N N 98 123.816 128.472 -4.656 1
1 1133 . 4 1 1 A 99 99 GLU H H 99 8.376 8.757 -0.381 1
1 1134 . 4 1 1 A 99 99 GLU C C 99 175.790 176.175 -0.385 1
1 1 . 5 1 1 A 5 5 SER H H 5 8.350 8.672 -0.322 1
1 2 . 5 1 1 A 5 5 SER N N 5 116.816 122.023 -5.207 1
1 3 . 5 1 1 A 9 9 GLN H H 9 8.479 7.936 0.543 1
1 4 . 5 1 1 A 9 9 GLN N N 9 121.973 114.923 7.050 1
1 5 . 5 1 1 A 10 10 PRO HA H 10 4.392 4.488 -0.096 1
1 8 . 5 1 1 A 10 10 PRO C C 10 176.702 176.331 0.371 1
1 9 . 5 1 1 A 10 10 PRO CA C 10 63.029 62.693 0.336 1
1 10 . 5 1 1 A 10 10 PRO CB C 10 32.056 32.220 -0.164 1
1 11 . 5 1 1 A 11 11 ALA H H 11 8.421 8.284 0.137 1
1 12 . 5 1 1 A 11 11 ALA HA H 11 4.254 4.223 0.031 1
1 16 . 5 1 1 A 11 11 ALA C C 11 177.592 176.915 0.677 1
1 17 . 5 1 1 A 11 11 ALA CA C 11 52.405 52.520 -0.115 1
1 18 . 5 1 1 A 11 11 ALA CB C 11 19.242 18.721 0.521 1
1 19 . 5 1 1 A 11 11 ALA N N 11 124.566 124.832 -0.266 1
1 20 . 5 1 1 A 12 12 ALA H H 12 8.297 8.521 -0.224 1
1 21 . 5 1 1 A 12 12 ALA HA H 12 4.278 4.632 -0.354 1
1 25 . 5 1 1 A 12 12 ALA C C 12 177.607 177.479 0.128 1
1 26 . 5 1 1 A 12 12 ALA CA C 12 52.402 51.361 1.041 1
1 27 . 5 1 1 A 12 12 ALA CB C 12 19.397 19.743 -0.346 1
1 28 . 5 1 1 A 12 12 ALA N N 12 123.470 126.595 -3.125 1
1 29 . 5 1 1 A 13 13 GLN H H 13 8.302 8.496 -0.194 1
1 30 . 5 1 1 A 13 13 GLN HA H 13 4.304 4.563 -0.259 1
1 33 . 5 1 1 A 13 13 GLN C C 13 175.344 175.809 -0.465 1
1 34 . 5 1 1 A 13 13 GLN CA C 13 55.396 55.543 -0.147 1
1 35 . 5 1 1 A 13 13 GLN CB C 13 29.738 29.871 -0.133 1
1 36 . 5 1 1 A 13 13 GLN N N 13 119.718 120.820 -1.102 1
1 37 . 5 1 1 A 14 14 ALA H H 14 8.405 8.553 -0.148 1
1 38 . 5 1 1 A 14 14 ALA HA H 14 4.580 4.548 0.032 1
1 42 . 5 1 1 A 14 14 ALA C C 14 175.619 176.326 -0.707 1
1 43 . 5 1 1 A 14 14 ALA CA C 14 50.607 50.336 0.271 1
1 44 . 5 1 1 A 14 14 ALA CB C 14 18.031 19.516 -1.485 1
1 45 . 5 1 1 A 14 14 ALA N N 14 127.291 124.979 2.312 1
1 46 . 5 1 1 A 15 15 PRO HA H 15 4.399 4.571 -0.172 1
1 49 . 5 1 1 A 15 15 PRO C C 15 177.086 176.363 0.723 1
1 50 . 5 1 1 A 15 15 PRO CA C 15 63.294 62.226 1.068 1
1 51 . 5 1 1 A 15 15 PRO CB C 15 31.988 32.905 -0.917 1
1 52 . 5 1 1 A 16 16 GLU H H 16 8.656 8.591 0.065 1
1 53 . 5 1 1 A 16 16 GLU HA H 16 4.306 4.448 -0.142 1
1 56 . 5 1 1 A 16 16 GLU C C 16 176.897 176.993 -0.096 1
1 57 . 5 1 1 A 16 16 GLU CA C 16 56.771 56.659 0.112 1
1 58 . 5 1 1 A 16 16 GLU CB C 16 30.209 30.827 -0.618 1
1 59 . 5 1 1 A 16 16 GLU N N 16 120.957 120.536 0.421 1
1 60 . 5 1 1 A 17 17 THR H H 17 8.202 8.301 -0.099 1
1 61 . 5 1 1 A 17 17 THR HA H 17 4.336 4.139 0.197 1
1 66 . 5 1 1 A 17 17 THR C C 17 174.612 173.716 0.896 1
1 67 . 5 1 1 A 17 17 THR CA C 17 61.981 63.640 -1.659 1
1 68 . 5 1 1 A 17 17 THR CB C 17 69.928 67.963 1.965 1
1 70 . 5 1 1 A 17 17 THR N N 17 115.763 117.003 -1.240 1
1 71 . 5 1 1 A 18 18 LYS H H 18 8.373 8.322 0.051 1
1 72 . 5 1 1 A 18 18 LYS HA H 18 4.365 4.752 -0.387 1
1 81 . 5 1 1 A 18 18 LYS C C 18 176.509 175.219 1.290 1
1 82 . 5 1 1 A 18 18 LYS CA C 18 56.348 55.309 1.039 1
1 83 . 5 1 1 A 18 18 LYS CB C 18 33.051 33.903 -0.852 1
1 87 . 5 1 1 A 18 18 LYS N N 18 123.975 127.876 -3.901 1
1 88 . 5 1 1 A 19 19 GLN H H 19 8.387 8.731 -0.344 1
1 89 . 5 1 1 A 19 19 GLN HA H 19 4.378 4.756 -0.378 1
1 96 . 5 1 1 A 19 19 GLN C C 19 175.630 175.069 0.561 1
1 97 . 5 1 1 A 19 19 GLN CA C 19 55.614 54.273 1.341 1
1 98 . 5 1 1 A 19 19 GLN CB C 19 29.749 31.458 -1.709 1
1 100 . 5 1 1 A 19 19 GLN N N 19 121.480 124.586 -3.106 1
1 102 . 5 1 1 A 20 20 ALA H H 20 8.505 8.725 -0.220 1
1 103 . 5 1 1 A 20 20 ALA HA H 20 4.449 4.682 -0.233 1
1 107 . 5 1 1 A 20 20 ALA C C 20 177.361 177.257 0.104 1
1 108 . 5 1 1 A 20 20 ALA CA C 20 52.165 51.297 0.868 1
1 109 . 5 1 1 A 20 20 ALA CB C 20 19.253 19.885 -0.632 1
1 110 . 5 1 1 A 20 20 ALA N N 20 125.974 127.441 -1.467 1
1 111 . 5 1 1 A 21 21 PHE H H 21 8.851 8.761 0.090 1
1 112 . 5 1 1 A 21 21 PHE HA H 21 4.422 4.688 -0.266 1
1 120 . 5 1 1 A 21 21 PHE C C 21 176.063 174.670 1.393 1
1 121 . 5 1 1 A 21 21 PHE CA C 21 56.142 57.722 -1.580 1
1 122 . 5 1 1 A 21 21 PHE CB C 21 39.867 39.161 0.706 1
1 128 . 5 1 1 A 21 21 PHE N N 21 124.486 122.222 2.264 1
1 129 . 5 1 1 A 22 22 PRO HA H 22 4.856 4.886 -0.030 1
1 136 . 5 1 1 A 22 22 PRO C C 22 174.848 177.127 -2.279 1
1 137 . 5 1 1 A 22 22 PRO CA C 22 62.078 62.420 -0.342 1
1 138 . 5 1 1 A 22 22 PRO CB C 22 28.563 31.005 -2.442 1
1 141 . 5 1 1 A 23 23 ARG H H 23 8.356 8.629 -0.273 1
1 142 . 5 1 1 A 23 23 ARG HA H 23 3.650 4.065 -0.415 1
1 149 . 5 1 1 A 23 23 ARG C C 23 176.762 178.443 -1.681 1
1 150 . 5 1 1 A 23 23 ARG CA C 23 60.448 58.439 2.009 1
1 151 . 5 1 1 A 23 23 ARG CB C 23 31.422 29.485 1.937 1
1 154 . 5 1 1 A 23 23 ARG N N 23 126.815 124.149 2.666 1
1 155 . 5 1 1 A 24 24 LYS H H 24 8.555 8.160 0.395 1
1 156 . 5 1 1 A 24 24 LYS HA H 24 3.926 3.975 -0.049 1
1 165 . 5 1 1 A 24 24 LYS C C 24 179.506 178.660 0.846 1
1 166 . 5 1 1 A 24 24 LYS CA C 24 59.888 58.759 1.129 1
1 167 . 5 1 1 A 24 24 LYS CB C 24 31.782 32.028 -0.246 1
1 171 . 5 1 1 A 24 24 LYS N N 24 116.573 119.063 -2.490 1
1 172 . 5 1 1 A 25 25 PHE H H 25 7.575 7.545 0.030 1
1 173 . 5 1 1 A 25 25 PHE HA H 25 4.487 4.441 0.046 1
1 181 . 5 1 1 A 25 25 PHE C C 25 177.447 178.043 -0.596 1
1 182 . 5 1 1 A 25 25 PHE CA C 25 59.779 60.517 -0.738 1
1 183 . 5 1 1 A 25 25 PHE CB C 25 38.791 39.663 -0.872 1
1 189 . 5 1 1 A 25 25 PHE N N 25 118.123 118.248 -0.125 1
1 190 . 5 1 1 A 26 26 VAL H H 26 8.024 8.438 -0.414 1
1 191 . 5 1 1 A 26 26 VAL HA H 26 3.608 3.647 -0.039 1
1 199 . 5 1 1 A 26 26 VAL C C 26 177.770 177.994 -0.224 1
1 200 . 5 1 1 A 26 26 VAL CA C 26 66.473 66.870 -0.397 1
1 201 . 5 1 1 A 26 26 VAL CB C 26 31.408 31.608 -0.200 1
1 204 . 5 1 1 A 26 26 VAL N N 26 117.081 119.540 -2.459 1
1 205 . 5 1 1 A 27 27 LEU H H 27 8.220 8.449 -0.229 1
1 206 . 5 1 1 A 27 27 LEU HA H 27 4.234 4.284 -0.050 1
1 216 . 5 1 1 A 27 27 LEU C C 27 180.010 179.621 0.389 1
1 217 . 5 1 1 A 27 27 LEU CA C 27 57.864 57.369 0.495 1
1 218 . 5 1 1 A 27 27 LEU CB C 27 40.488 40.525 -0.037 1
1 222 . 5 1 1 A 27 27 LEU N N 27 118.748 117.880 0.868 1
1 223 . 5 1 1 A 28 28 ALA H H 28 8.014 8.327 -0.313 1
1 224 . 5 1 1 A 28 28 ALA HA H 28 4.289 4.411 -0.122 1
1 228 . 5 1 1 A 28 28 ALA C C 28 179.951 179.424 0.527 1
1 229 . 5 1 1 A 28 28 ALA CA C 28 55.110 55.469 -0.359 1
1 230 . 5 1 1 A 28 28 ALA CB C 28 17.970 18.090 -0.120 1
1 231 . 5 1 1 A 28 28 ALA N N 28 124.088 122.599 1.489 1
1 232 . 5 1 1 A 29 29 ALA H H 29 8.259 8.434 -0.175 1
1 233 . 5 1 1 A 29 29 ALA HA H 29 3.942 4.594 -0.652 1
1 237 . 5 1 1 A 29 29 ALA C C 29 180.505 180.226 0.279 1
1 238 . 5 1 1 A 29 29 ALA CA C 29 54.976 55.302 -0.326 1
1 239 . 5 1 1 A 29 29 ALA CB C 29 17.923 18.006 -0.083 1
1 240 . 5 1 1 A 29 29 ALA N N 29 120.431 121.089 -0.658 1
1 241 . 5 1 1 A 30 30 LEU H H 30 8.098 8.380 -0.282 1
1 242 . 5 1 1 A 30 30 LEU HA H 30 4.007 4.280 -0.273 1
1 252 . 5 1 1 A 30 30 LEU C C 30 178.315 178.366 -0.051 1
1 253 . 5 1 1 A 30 30 LEU CA C 30 58.096 58.277 -0.181 1
1 254 . 5 1 1 A 30 30 LEU CB C 30 41.486 41.645 -0.159 1
1 258 . 5 1 1 A 30 30 LEU N N 30 120.849 120.657 0.192 1
1 259 . 5 1 1 A 31 31 GLU H H 31 8.115 8.982 -0.867 1
1 260 . 5 1 1 A 31 31 GLU HA H 31 3.967 4.008 -0.041 1
1 265 . 5 1 1 A 31 31 GLU C C 31 179.473 177.561 1.912 1
1 266 . 5 1 1 A 31 31 GLU CA C 31 59.683 58.822 0.861 1
1 267 . 5 1 1 A 31 31 GLU CB C 31 29.402 28.961 0.441 1
1 269 . 5 1 1 A 31 31 GLU N N 31 120.752 117.319 3.433 1
1 270 . 5 1 1 A 32 32 GLN H H 32 7.812 7.989 -0.177 1
1 271 . 5 1 1 A 32 32 GLN HA H 32 4.001 4.139 -0.138 1
1 278 . 5 1 1 A 32 32 GLN C C 32 176.519 176.868 -0.349 1
1 279 . 5 1 1 A 32 32 GLN CA C 32 57.576 57.120 0.456 1
1 280 . 5 1 1 A 32 32 GLN CB C 32 29.108 28.547 0.561 1
1 282 . 5 1 1 A 32 32 GLN N N 32 114.711 117.985 -3.274 1
1 284 . 5 1 1 A 33 33 SER H H 33 7.460 7.819 -0.359 1
1 285 . 5 1 1 A 33 33 SER HA H 33 4.257 4.565 -0.308 1
1 288 . 5 1 1 A 33 33 SER C C 33 174.508 173.891 0.617 1
1 289 . 5 1 1 A 33 33 SER CA C 33 58.504 57.169 1.335 1
1 290 . 5 1 1 A 33 33 SER CB C 33 65.131 64.529 0.602 1
1 291 . 5 1 1 A 33 33 SER N N 33 110.604 110.983 -0.379 1
1 292 . 5 1 1 A 34 34 SER H H 34 7.429 7.696 -0.267 1
1 293 . 5 1 1 A 34 34 SER HA H 34 4.468 4.791 -0.323 1
1 296 . 5 1 1 A 34 34 SER C C 34 174.588 174.260 0.328 1
1 297 . 5 1 1 A 34 34 SER CA C 34 58.556 58.003 0.553 1
1 298 . 5 1 1 A 34 34 SER CB C 34 65.278 64.704 0.574 1
1 299 . 5 1 1 A 34 34 SER N N 34 117.544 118.000 -0.456 1
1 300 . 5 1 1 A 35 35 ASP H H 35 8.822 9.124 -0.302 1
1 301 . 5 1 1 A 35 35 ASP HA H 35 4.778 4.732 0.046 1
1 304 . 5 1 1 A 35 35 ASP C C 35 178.268 177.393 0.875 1
1 305 . 5 1 1 A 35 35 ASP CA C 35 52.849 54.328 -1.479 1
1 306 . 5 1 1 A 35 35 ASP CB C 35 41.314 41.989 -0.675 1
1 307 . 5 1 1 A 35 35 ASP N N 35 121.575 123.104 -1.529 1
1 308 . 5 1 1 A 36 36 ASP H H 36 8.483 9.046 -0.563 1
1 309 . 5 1 1 A 36 36 ASP HA H 36 4.414 4.289 0.125 1
1 312 . 5 1 1 A 36 36 ASP C C 36 176.670 177.166 -0.496 1
1 313 . 5 1 1 A 36 36 ASP CA C 36 56.605 57.665 -1.060 1
1 314 . 5 1 1 A 36 36 ASP CB C 36 40.286 40.373 -0.087 1
1 315 . 5 1 1 A 36 36 ASP N N 36 117.398 123.190 -5.792 1
1 316 . 5 1 1 A 37 37 ALA H H 37 8.242 7.573 0.669 1
1 317 . 5 1 1 A 37 37 ALA HA H 37 4.532 4.380 0.152 1
1 321 . 5 1 1 A 37 37 ALA C C 37 177.407 177.784 -0.377 1
1 322 . 5 1 1 A 37 37 ALA CA C 37 51.677 51.996 -0.319 1
1 323 . 5 1 1 A 37 37 ALA CB C 37 19.774 19.466 0.308 1
1 324 . 5 1 1 A 37 37 ALA N N 37 122.052 118.334 3.718 1
1 325 . 5 1 1 A 38 38 GLY H H 38 8.155 8.703 -0.548 1
1 326 . 5 1 1 A 38 38 GLY HA2 H 38 3.624 3.754 -0.130 1
1 327 . 5 1 1 A 38 38 GLY HA3 H 38 4.080 3.858 0.222 1
1 328 . 5 1 1 A 38 38 GLY C C 38 173.417 173.719 -0.302 1
1 329 . 5 1 1 A 38 38 GLY CA C 38 45.093 46.368 -1.275 1
1 330 . 5 1 1 A 38 38 GLY N N 38 107.721 107.162 0.559 1
1 331 . 5 1 1 A 39 39 TRP H H 39 8.449 7.918 0.531 1
1 332 . 5 1 1 A 39 39 TRP HA H 39 5.054 5.203 -0.149 1
1 341 . 5 1 1 A 39 39 TRP C C 39 176.577 175.143 1.434 1
1 342 . 5 1 1 A 39 39 TRP CA C 39 56.596 55.589 1.007 1
1 343 . 5 1 1 A 39 39 TRP CB C 39 32.184 32.681 -0.497 1
1 349 . 5 1 1 A 39 39 TRP N N 39 119.797 119.536 0.261 1
1 351 . 5 1 1 A 40 40 ALA H H 40 9.855 9.233 0.622 1
1 352 . 5 1 1 A 40 40 ALA HA H 40 5.099 5.306 -0.207 1
1 356 . 5 1 1 A 40 40 ALA C C 40 176.165 176.518 -0.353 1
1 357 . 5 1 1 A 40 40 ALA CA C 40 50.202 50.423 -0.221 1
1 358 . 5 1 1 A 40 40 ALA CB C 40 23.153 21.025 2.128 1
1 359 . 5 1 1 A 40 40 ALA N N 40 124.618 127.045 -2.427 1
1 360 . 5 1 1 A 41 41 ASN H H 41 8.794 8.567 0.227 1
1 361 . 5 1 1 A 41 41 ASN HA H 41 3.771 4.031 -0.260 1
1 366 . 5 1 1 A 41 41 ASN C C 41 175.824 176.225 -0.401 1
1 367 . 5 1 1 A 41 41 ASN CA C 41 52.724 53.208 -0.484 1
1 368 . 5 1 1 A 41 41 ASN CB C 41 39.927 39.659 0.268 1
1 369 . 5 1 1 A 41 41 ASN N N 41 121.050 121.621 -0.571 1
1 371 . 5 1 1 A 42 42 LEU H H 42 8.493 8.741 -0.248 1
1 372 . 5 1 1 A 42 42 LEU HA H 42 3.834 4.049 -0.215 1
1 382 . 5 1 1 A 42 42 LEU C C 42 178.256 179.462 -1.206 1
1 383 . 5 1 1 A 42 42 LEU CA C 42 58.859 58.348 0.511 1
1 384 . 5 1 1 A 42 42 LEU CB C 42 42.233 41.922 0.311 1
1 388 . 5 1 1 A 42 42 LEU N N 42 126.418 129.090 -2.672 1
1 389 . 5 1 1 A 43 43 GLY H H 43 8.440 8.262 0.178 1
1 390 . 5 1 1 A 43 43 GLY HA2 H 43 3.912 3.743 0.169 1
1 391 . 5 1 1 A 43 43 GLY HA3 H 43 3.822 3.758 0.064 1
1 392 . 5 1 1 A 43 43 GLY C C 43 176.344 176.307 0.037 1
1 393 . 5 1 1 A 43 43 GLY CA C 43 47.070 46.966 0.104 1
1 394 . 5 1 1 A 43 43 GLY N N 43 106.800 106.380 0.420 1
1 395 . 5 1 1 A 44 44 ASN H H 44 7.916 7.924 -0.008 1
1 396 . 5 1 1 A 44 44 ASN HA H 44 4.472 4.586 -0.114 1
1 401 . 5 1 1 A 44 44 ASN C C 44 177.888 177.766 0.122 1
1 402 . 5 1 1 A 44 44 ASN CA C 44 56.004 55.720 0.284 1
1 403 . 5 1 1 A 44 44 ASN CB C 44 38.316 38.893 -0.577 1
1 404 . 5 1 1 A 44 44 ASN N N 44 121.472 119.583 1.889 1
1 406 . 5 1 1 A 45 45 PHE H H 45 8.563 8.399 0.164 1
1 407 . 5 1 1 A 45 45 PHE HA H 45 4.498 4.249 0.249 1
1 415 . 5 1 1 A 45 45 PHE C C 45 176.732 177.970 -1.238 1
1 416 . 5 1 1 A 45 45 PHE CA C 45 60.350 60.613 -0.263 1
1 417 . 5 1 1 A 45 45 PHE CB C 45 38.824 39.307 -0.483 1
1 423 . 5 1 1 A 45 45 PHE N N 45 121.835 122.453 -0.618 1
1 424 . 5 1 1 A 46 46 GLY H H 46 8.933 8.789 0.144 1
1 425 . 5 1 1 A 46 46 GLY HA2 H 46 3.820 3.351 0.469 1
1 426 . 5 1 1 A 46 46 GLY HA3 H 46 3.186 3.599 -0.413 1
1 427 . 5 1 1 A 46 46 GLY C C 46 176.053 175.568 0.485 1
1 428 . 5 1 1 A 46 46 GLY CA C 46 47.171 46.856 0.315 1
1 429 . 5 1 1 A 46 46 GLY N N 46 106.269 106.551 -0.282 1
1 430 . 5 1 1 A 47 47 ASN H H 47 7.812 8.271 -0.459 1
1 431 . 5 1 1 A 47 47 ASN HA H 47 4.470 4.398 0.072 1
1 436 . 5 1 1 A 47 47 ASN C C 47 178.087 177.184 0.903 1
1 437 . 5 1 1 A 47 47 ASN CA C 47 55.974 56.134 -0.160 1
1 438 . 5 1 1 A 47 47 ASN CB C 47 38.149 39.031 -0.882 1
1 439 . 5 1 1 A 47 47 ASN N N 47 120.030 119.883 0.147 1
1 441 . 5 1 1 A 48 48 TYR H H 48 8.093 7.997 0.096 1
1 442 . 5 1 1 A 48 48 TYR HA H 48 4.007 4.186 -0.179 1
1 449 . 5 1 1 A 48 48 TYR C C 48 178.310 177.501 0.809 1
1 450 . 5 1 1 A 48 48 TYR CA C 48 62.527 61.222 1.305 1
1 451 . 5 1 1 A 48 48 TYR CB C 48 38.254 38.841 -0.587 1
1 456 . 5 1 1 A 48 48 TYR N N 48 121.030 120.027 1.003 1
1 457 . 5 1 1 A 49 49 LEU H H 49 8.480 8.333 0.147 1
1 458 . 5 1 1 A 49 49 LEU HA H 49 3.624 3.809 -0.185 1
1 468 . 5 1 1 A 49 49 LEU C C 49 177.653 178.397 -0.744 1
1 469 . 5 1 1 A 49 49 LEU CA C 49 58.321 57.926 0.395 1
1 470 . 5 1 1 A 49 49 LEU CB C 49 41.046 40.817 0.229 1
1 474 . 5 1 1 A 49 49 LEU N N 49 121.024 120.922 0.102 1
1 475 . 5 1 1 A 50 50 ASN H H 50 7.564 7.706 -0.142 1
1 476 . 5 1 1 A 50 50 ASN HA H 50 4.493 4.505 -0.012 1
1 481 . 5 1 1 A 50 50 ASN C C 50 176.498 177.482 -0.984 1
1 482 . 5 1 1 A 50 50 ASN CA C 50 55.479 55.632 -0.153 1
1 483 . 5 1 1 A 50 50 ASN CB C 50 39.302 39.142 0.160 1
1 484 . 5 1 1 A 50 50 ASN N N 50 114.582 116.184 -1.602 1
1 486 . 5 1 1 A 51 51 LYS H H 51 7.370 7.500 -0.130 1
1 487 . 5 1 1 A 51 51 LYS HA H 51 3.990 3.939 0.051 1
1 496 . 5 1 1 A 51 51 LYS C C 51 178.403 178.779 -0.376 1
1 497 . 5 1 1 A 51 51 LYS CA C 51 58.512 58.773 -0.261 1
1 498 . 5 1 1 A 51 51 LYS CB C 51 32.245 31.679 0.566 1
1 502 . 5 1 1 A 51 51 LYS N N 51 118.289 118.573 -0.284 1
1 503 . 5 1 1 A 52 52 LEU H H 52 7.518 7.372 0.146 1
1 504 . 5 1 1 A 52 52 LEU HA H 52 4.085 4.113 -0.028 1
1 514 . 5 1 1 A 52 52 LEU C C 52 177.924 176.674 1.250 1
1 515 . 5 1 1 A 52 52 LEU CA C 52 56.424 56.339 0.085 1
1 516 . 5 1 1 A 52 52 LEU CB C 52 42.952 43.476 -0.524 1
1 520 . 5 1 1 A 52 52 LEU N N 52 117.841 118.469 -0.628 1
1 521 . 5 1 1 A 53 53 GLN H H 53 8.438 7.781 0.657 1
1 522 . 5 1 1 A 53 53 GLN HA H 53 4.583 4.626 -0.043 1
1 529 . 5 1 1 A 53 53 GLN C C 53 172.039 173.977 -1.938 1
1 530 . 5 1 1 A 53 53 GLN CA C 53 52.780 53.552 -0.772 1
1 531 . 5 1 1 A 53 53 GLN CB C 53 29.902 29.015 0.887 1
1 533 . 5 1 1 A 53 53 GLN N N 53 118.578 117.962 0.616 1
1 535 . 5 1 1 A 54 54 PRO HA H 54 4.718 4.481 0.237 1
1 542 . 5 1 1 A 54 54 PRO C C 54 177.295 177.200 0.095 1
1 543 . 5 1 1 A 54 54 PRO CA C 54 64.754 64.311 0.443 1
1 544 . 5 1 1 A 54 54 PRO CB C 54 31.924 31.780 0.144 1
1 547 . 5 1 1 A 55 55 ASP H H 55 8.349 8.380 -0.031 1
1 548 . 5 1 1 A 55 55 ASP HA H 55 4.596 4.793 -0.197 1
1 551 . 5 1 1 A 55 55 ASP C C 55 176.361 176.048 0.313 1
1 552 . 5 1 1 A 55 55 ASP CA C 55 53.467 54.364 -0.897 1
1 553 . 5 1 1 A 55 55 ASP CB C 55 40.050 40.858 -0.808 1
1 554 . 5 1 1 A 55 55 ASP N N 55 114.766 116.519 -1.753 1
1 555 . 5 1 1 A 56 56 PHE H H 56 8.187 7.641 0.546 1
1 556 . 5 1 1 A 56 56 PHE HA H 56 4.055 4.982 -0.927 1
1 564 . 5 1 1 A 56 56 PHE C C 56 175.257 173.686 1.571 1
1 565 . 5 1 1 A 56 56 PHE CA C 56 61.149 56.350 4.799 1
1 566 . 5 1 1 A 56 56 PHE CB C 56 38.680 39.518 -0.838 1
1 572 . 5 1 1 A 56 56 PHE N N 56 122.323 121.294 1.029 1
1 573 . 5 1 1 A 57 57 ASP H H 57 6.887 8.511 -1.624 1
1 574 . 5 1 1 A 57 57 ASP HA H 57 4.670 5.072 -0.402 1
1 577 . 5 1 1 A 57 57 ASP C C 57 176.308 176.300 0.008 1
1 578 . 5 1 1 A 57 57 ASP CA C 57 52.895 52.512 0.383 1
1 579 . 5 1 1 A 57 57 ASP CB C 57 42.942 43.404 -0.462 1
1 580 . 5 1 1 A 57 57 ASP N N 57 127.342 128.894 -1.552 1
1 581 . 5 1 1 A 58 58 SER H H 58 9.284 9.102 0.182 1
1 582 . 5 1 1 A 58 58 SER HA H 58 3.991 4.196 -0.205 1
1 585 . 5 1 1 A 58 58 SER C C 58 176.248 176.869 -0.621 1
1 586 . 5 1 1 A 58 58 SER CA C 58 63.050 61.184 1.866 1
1 587 . 5 1 1 A 58 58 SER CB C 58 63.339 63.197 0.142 1
1 588 . 5 1 1 A 58 58 SER N N 58 123.478 121.319 2.159 1
1 589 . 5 1 1 A 59 59 ARG H H 59 8.639 7.843 0.796 1
1 590 . 5 1 1 A 59 59 ARG HA H 59 4.073 4.471 -0.398 1
1 597 . 5 1 1 A 59 59 ARG C C 59 180.693 178.612 2.081 1
1 598 . 5 1 1 A 59 59 ARG CA C 59 58.787 58.994 -0.207 1
1 599 . 5 1 1 A 59 59 ARG CB C 59 29.824 29.926 -0.102 1
1 602 . 5 1 1 A 59 59 ARG N N 59 123.207 122.149 1.058 1
1 603 . 5 1 1 A 60 60 LEU H H 60 7.460 7.928 -0.468 1
1 604 . 5 1 1 A 60 60 LEU HA H 60 3.841 3.962 -0.121 1
1 614 . 5 1 1 A 60 60 LEU C C 60 177.018 177.774 -0.756 1
1 615 . 5 1 1 A 60 60 LEU CA C 60 56.556 57.820 -1.264 1
1 616 . 5 1 1 A 60 60 LEU CB C 60 41.013 41.484 -0.471 1
1 620 . 5 1 1 A 60 60 LEU N N 60 120.191 119.245 0.946 1
1 621 . 5 1 1 A 61 61 TYR H H 61 7.200 7.534 -0.334 1
1 622 . 5 1 1 A 61 61 TYR HA H 61 4.781 4.627 0.154 1
1 629 . 5 1 1 A 61 61 TYR C C 61 175.303 175.901 -0.598 1
1 630 . 5 1 1 A 61 61 TYR CA C 61 56.371 58.056 -1.685 1
1 631 . 5 1 1 A 61 61 TYR CB C 61 38.825 38.956 -0.131 1
1 636 . 5 1 1 A 61 61 TYR N N 61 114.720 115.864 -1.144 1
1 637 . 5 1 1 A 62 62 GLY H H 62 7.354 8.240 -0.886 1
1 638 . 5 1 1 A 62 62 GLY HA2 H 62 3.968 3.858 0.110 1
1 639 . 5 1 1 A 62 62 GLY HA3 H 62 3.552 3.914 -0.362 1
1 640 . 5 1 1 A 62 62 GLY C C 62 173.542 173.959 -0.417 1
1 641 . 5 1 1 A 62 62 GLY CA C 62 44.889 45.281 -0.392 1
1 642 . 5 1 1 A 62 62 GLY N N 62 104.100 108.879 -4.779 1
1 643 . 5 1 1 A 63 63 TYR H H 63 7.377 7.844 -0.467 1
1 644 . 5 1 1 A 63 63 TYR HA H 63 4.937 4.606 0.331 1
1 651 . 5 1 1 A 63 63 TYR C C 63 175.675 175.817 -0.142 1
1 652 . 5 1 1 A 63 63 TYR CA C 63 56.902 58.457 -1.555 1
1 653 . 5 1 1 A 63 63 TYR CB C 63 42.609 39.296 3.313 1
1 658 . 5 1 1 A 63 63 TYR N N 63 117.874 120.084 -2.210 1
1 659 . 5 1 1 A 64 64 LYS H H 64 9.403 9.084 0.319 1
1 660 . 5 1 1 A 64 64 LYS HA H 64 3.914 4.508 -0.594 1
1 669 . 5 1 1 A 64 64 LYS C C 64 176.334 176.703 -0.369 1
1 670 . 5 1 1 A 64 64 LYS CA C 64 59.534 57.458 2.076 1
1 671 . 5 1 1 A 64 64 LYS CB C 64 32.892 33.563 -0.671 1
1 675 . 5 1 1 A 64 64 LYS N N 64 123.946 121.346 2.600 1
1 676 . 5 1 1 A 65 65 LYS H H 65 7.635 7.499 0.136 1
1 677 . 5 1 1 A 65 65 LYS HA H 65 4.787 4.735 0.052 1
1 686 . 5 1 1 A 65 65 LYS C C 65 177.231 176.639 0.592 1
1 687 . 5 1 1 A 65 65 LYS CA C 65 54.089 54.740 -0.651 1
1 688 . 5 1 1 A 65 65 LYS CB C 65 35.722 35.273 0.449 1
1 692 . 5 1 1 A 65 65 LYS N N 65 112.461 114.871 -2.410 1
1 693 . 5 1 1 A 66 66 LEU H H 66 9.090 8.824 0.266 1
1 694 . 5 1 1 A 66 66 LEU HA H 66 4.240 3.996 0.244 1
1 704 . 5 1 1 A 66 66 LEU C C 66 178.820 178.122 0.698 1
1 705 . 5 1 1 A 66 66 LEU CA C 66 58.129 58.244 -0.115 1
1 706 . 5 1 1 A 66 66 LEU CB C 66 41.476 41.326 0.150 1
1 710 . 5 1 1 A 66 66 LEU N N 66 124.584 121.950 2.634 1
1 711 . 5 1 1 A 67 67 SER H H 67 8.867 8.321 0.546 1
1 712 . 5 1 1 A 67 67 SER HA H 67 3.697 4.186 -0.489 1
1 715 . 5 1 1 A 67 67 SER C C 67 175.588 176.442 -0.854 1
1 716 . 5 1 1 A 67 67 SER CA C 67 61.518 61.192 0.326 1
1 717 . 5 1 1 A 67 67 SER CB C 67 61.537 62.382 -0.845 1
1 718 . 5 1 1 A 67 67 SER N N 67 112.095 114.636 -2.541 1
1 719 . 5 1 1 A 68 68 ASP H H 68 6.783 8.318 -1.535 1
1 720 . 5 1 1 A 68 68 ASP HA H 68 4.356 4.427 -0.071 1
1 723 . 5 1 1 A 68 68 ASP C C 68 177.827 178.294 -0.467 1
1 724 . 5 1 1 A 68 68 ASP CA C 68 57.170 57.653 -0.483 1
1 725 . 5 1 1 A 68 68 ASP CB C 68 41.380 41.782 -0.402 1
1 726 . 5 1 1 A 68 68 ASP N N 68 119.720 121.351 -1.631 1
1 727 . 5 1 1 A 69 69 LEU H H 69 7.153 7.580 -0.427 1
1 728 . 5 1 1 A 69 69 LEU HA H 69 2.561 3.330 -0.769 1
1 738 . 5 1 1 A 69 69 LEU C C 69 177.830 178.456 -0.626 1
1 739 . 5 1 1 A 69 69 LEU CA C 69 58.843 58.038 0.805 1
1 740 . 5 1 1 A 69 69 LEU CB C 69 42.203 41.392 0.811 1
1 744 . 5 1 1 A 69 69 LEU N N 69 122.181 120.502 1.679 1
1 745 . 5 1 1 A 70 70 VAL H H 70 8.167 8.240 -0.073 1
1 746 . 5 1 1 A 70 70 VAL HA H 70 3.509 3.596 -0.087 1
1 754 . 5 1 1 A 70 70 VAL C C 70 177.695 178.149 -0.454 1
1 755 . 5 1 1 A 70 70 VAL CA C 70 65.582 67.120 -1.538 1
1 756 . 5 1 1 A 70 70 VAL CB C 70 31.409 31.412 -0.003 1
1 759 . 5 1 1 A 70 70 VAL N N 70 116.117 119.142 -3.025 1
1 760 . 5 1 1 A 71 71 LYS H H 71 7.665 7.999 -0.334 1
1 761 . 5 1 1 A 71 71 LYS HA H 71 3.854 4.136 -0.282 1
1 770 . 5 1 1 A 71 71 LYS C C 71 177.406 178.653 -1.247 1
1 771 . 5 1 1 A 71 71 LYS CA C 71 59.175 58.733 0.442 1
1 772 . 5 1 1 A 71 71 LYS CB C 71 32.804 31.434 1.370 1
1 776 . 5 1 1 A 71 71 LYS N N 71 116.326 119.842 -3.516 1
1 777 . 5 1 1 A 72 72 ALA H H 72 7.506 7.625 -0.119 1
1 778 . 5 1 1 A 72 72 ALA HA H 72 4.391 4.234 0.157 1
1 782 . 5 1 1 A 72 72 ALA C C 72 180.756 178.741 2.015 1
1 783 . 5 1 1 A 72 72 ALA CA C 72 53.691 54.632 -0.941 1
1 784 . 5 1 1 A 72 72 ALA CB C 72 20.243 18.543 1.700 1
1 785 . 5 1 1 A 72 72 ALA N N 72 118.313 121.691 -3.378 1
1 786 . 5 1 1 A 73 73 ARG H H 73 7.603 7.543 0.060 1
1 787 . 5 1 1 A 73 73 ARG HA H 73 4.872 4.726 0.146 1
1 795 . 5 1 1 A 73 73 ARG C C 73 177.558 176.876 0.682 1
1 796 . 5 1 1 A 73 73 ARG CA C 73 51.230 54.841 -3.611 1
1 797 . 5 1 1 A 73 73 ARG CB C 73 25.568 29.110 -3.542 1
1 800 . 5 1 1 A 73 73 ARG N N 73 118.690 116.034 2.656 1
1 802 . 5 1 1 A 74 74 THR H H 74 8.261 7.934 0.327 1
1 803 . 5 1 1 A 74 74 THR HA H 74 4.552 4.426 0.126 1
1 808 . 5 1 1 A 74 74 THR C C 74 174.706 175.917 -1.211 1
1 809 . 5 1 1 A 74 74 THR CA C 74 62.876 64.476 -1.600 1
1 810 . 5 1 1 A 74 74 THR CB C 74 68.716 68.581 0.135 1
1 812 . 5 1 1 A 74 74 THR N N 74 115.950 112.702 3.248 1
1 813 . 5 1 1 A 75 75 ASP H H 75 9.542 8.203 1.339 1
1 814 . 5 1 1 A 75 75 ASP HA H 75 4.310 4.347 -0.037 1
1 817 . 5 1 1 A 75 75 ASP C C 75 175.958 177.341 -1.383 1
1 818 . 5 1 1 A 75 75 ASP CA C 75 54.476 57.254 -2.778 1
1 819 . 5 1 1 A 75 75 ASP CB C 75 38.969 42.021 -3.052 1
1 820 . 5 1 1 A 75 75 ASP N N 75 116.582 121.789 -5.207 1
1 821 . 5 1 1 A 76 76 LEU H H 76 7.078 7.624 -0.546 1
1 822 . 5 1 1 A 76 76 LEU HA H 76 4.225 4.066 0.159 1
1 832 . 5 1 1 A 76 76 LEU C C 76 177.244 176.051 1.193 1
1 833 . 5 1 1 A 76 76 LEU CA C 76 55.349 55.767 -0.418 1
1 834 . 5 1 1 A 76 76 LEU CB C 76 43.508 43.170 0.338 1
1 838 . 5 1 1 A 76 76 LEU N N 76 117.639 117.109 0.530 1
1 839 . 5 1 1 A 77 77 PHE H H 77 7.977 7.533 0.444 1
1 840 . 5 1 1 A 77 77 PHE HA H 77 5.648 5.102 0.546 1
1 848 . 5 1 1 A 77 77 PHE C C 77 175.868 174.545 1.323 1
1 849 . 5 1 1 A 77 77 PHE CA C 77 54.878 56.428 -1.550 1
1 850 . 5 1 1 A 77 77 PHE CB C 77 42.833 42.191 0.642 1
1 856 . 5 1 1 A 77 77 PHE N N 77 115.989 115.265 0.724 1
1 857 . 5 1 1 A 78 78 VAL H H 78 8.863 9.146 -0.283 1
1 858 . 5 1 1 A 78 78 VAL HA H 78 4.425 4.513 -0.088 1
1 866 . 5 1 1 A 78 78 VAL C C 78 175.288 175.646 -0.358 1
1 867 . 5 1 1 A 78 78 VAL CA C 78 61.575 62.108 -0.533 1
1 868 . 5 1 1 A 78 78 VAL CB C 78 33.988 31.934 2.054 1
1 871 . 5 1 1 A 78 78 VAL N N 78 123.339 123.102 0.237 1
1 872 . 5 1 1 A 79 79 THR H H 79 8.305 9.040 -0.735 1
1 873 . 5 1 1 A 79 79 THR HA H 79 5.882 5.566 0.316 1
1 878 . 5 1 1 A 79 79 THR C C 79 174.566 173.883 0.683 1
1 879 . 5 1 1 A 79 79 THR CA C 79 59.476 60.508 -1.032 1
1 880 . 5 1 1 A 79 79 THR CB C 79 73.090 70.891 2.199 1
1 882 . 5 1 1 A 79 79 THR N N 79 113.057 119.778 -6.721 1
1 883 . 5 1 1 A 80 80 GLU H H 80 8.962 8.921 0.041 1
1 884 . 5 1 1 A 80 80 GLU HA H 80 4.589 5.052 -0.463 1
1 889 . 5 1 1 A 80 80 GLU C C 80 174.040 175.813 -1.773 1
1 890 . 5 1 1 A 80 80 GLU CA C 80 55.878 54.858 1.020 1
1 891 . 5 1 1 A 80 80 GLU CB C 80 33.399 33.449 -0.050 1
1 893 . 5 1 1 A 80 80 GLU N N 80 117.934 122.762 -4.828 1
1 894 . 5 1 1 A 81 81 GLU H H 81 8.687 8.831 -0.144 1
1 895 . 5 1 1 A 81 81 GLU HA H 81 5.213 4.918 0.295 1
1 900 . 5 1 1 A 81 81 GLU C C 81 176.406 175.642 0.764 1
1 901 . 5 1 1 A 81 81 GLU CA C 81 55.186 56.197 -1.011 1
1 902 . 5 1 1 A 81 81 GLU CB C 81 31.544 30.568 0.976 1
1 904 . 5 1 1 A 81 81 GLU N N 81 122.400 123.198 -0.798 1
1 905 . 5 1 1 A 82 82 ARG H H 82 9.118 9.268 -0.150 1
1 906 . 5 1 1 A 82 82 ARG HA H 82 4.635 4.762 -0.127 1
1 914 . 5 1 1 A 82 82 ARG C C 82 175.222 174.848 0.374 1
1 915 . 5 1 1 A 82 82 ARG CA C 82 54.746 54.416 0.330 1
1 916 . 5 1 1 A 82 82 ARG CB C 82 33.719 32.623 1.096 1
1 919 . 5 1 1 A 82 82 ARG N N 82 121.851 124.349 -2.498 1
1 921 . 5 1 1 A 83 83 GLN H H 83 8.642 8.537 0.105 1
1 922 . 5 1 1 A 83 83 GLN HA H 83 4.340 4.582 -0.242 1
1 927 . 5 1 1 A 83 83 GLN C C 83 175.705 175.589 0.116 1
1 928 . 5 1 1 A 83 83 GLN CA C 83 56.094 55.766 0.328 1
1 929 . 5 1 1 A 83 83 GLN CB C 83 29.424 29.711 -0.287 1
1 931 . 5 1 1 A 83 83 GLN N N 83 121.976 122.284 -0.308 1
1 932 . 5 1 1 A 84 84 VAL H H 84 8.818 8.423 0.395 1
1 933 . 5 1 1 A 84 84 VAL HA H 84 4.399 4.519 -0.120 1
1 941 . 5 1 1 A 84 84 VAL C C 84 174.439 174.593 -0.154 1
1 942 . 5 1 1 A 84 84 VAL CA C 84 59.977 59.280 0.697 1
1 943 . 5 1 1 A 84 84 VAL CB C 84 32.948 32.019 0.929 1
1 946 . 5 1 1 A 84 84 VAL N N 84 128.548 126.199 2.349 1
1 947 . 5 1 1 A 85 85 PRO HA H 85 4.313 4.265 0.048 1
1 954 . 5 1 1 A 85 85 PRO C C 85 178.026 177.393 0.633 1
1 955 . 5 1 1 A 85 85 PRO CA C 85 64.139 63.737 0.402 1
1 956 . 5 1 1 A 85 85 PRO CB C 85 31.744 31.400 0.344 1
1 959 . 5 1 1 A 86 86 GLY H H 86 8.815 8.757 0.058 1
1 960 . 5 1 1 A 86 86 GLY HA2 H 86 3.751 3.936 -0.185 1
1 961 . 5 1 1 A 86 86 GLY HA3 H 86 4.148 3.939 0.209 1
1 962 . 5 1 1 A 86 86 GLY C C 86 173.673 173.392 0.281 1
1 963 . 5 1 1 A 86 86 GLY CA C 86 45.661 45.375 0.286 1
1 964 . 5 1 1 A 86 86 GLY N N 86 111.839 113.018 -1.179 1
1 965 . 5 1 1 A 87 87 SER H H 87 8.029 7.662 0.367 1
1 966 . 5 1 1 A 87 87 SER HA H 87 4.955 4.937 0.018 1
1 969 . 5 1 1 A 87 87 SER C C 87 174.293 174.231 0.062 1
1 970 . 5 1 1 A 87 87 SER CA C 87 56.119 57.425 -1.306 1
1 971 . 5 1 1 A 87 87 SER CB C 87 65.288 65.986 -0.698 1
1 972 . 5 1 1 A 87 87 SER N N 87 114.255 114.931 -0.676 1
1 973 . 5 1 1 A 88 88 THR H H 88 8.366 8.388 -0.022 1
1 974 . 5 1 1 A 88 88 THR HA H 88 4.438 4.354 0.084 1
1 979 . 5 1 1 A 88 88 THR C C 88 175.360 174.263 1.097 1
1 980 . 5 1 1 A 88 88 THR CA C 88 62.103 63.627 -1.524 1
1 981 . 5 1 1 A 88 88 THR CB C 88 69.017 69.616 -0.599 1
1 983 . 5 1 1 A 88 88 THR N N 88 112.921 119.399 -6.478 1
1 984 . 5 1 1 A 89 89 GLN H H 89 8.342 7.566 0.776 1
1 985 . 5 1 1 A 89 89 GLN HA H 89 4.382 4.402 -0.020 1
1 990 . 5 1 1 A 89 89 GLN C C 89 175.462 175.526 -0.064 1
1 991 . 5 1 1 A 89 89 GLN CA C 89 55.599 55.383 0.216 1
1 992 . 5 1 1 A 89 89 GLN CB C 89 30.016 30.191 -0.175 1
1 994 . 5 1 1 A 89 89 GLN N N 89 122.086 118.187 3.899 1
1 995 . 5 1 1 A 90 90 LYS H H 90 8.584 9.046 -0.462 1
1 996 . 5 1 1 A 90 90 LYS HA H 90 4.779 5.073 -0.294 1
1 1005 . 5 1 1 A 90 90 LYS C C 90 175.897 175.185 0.712 1
1 1006 . 5 1 1 A 90 90 LYS CA C 90 55.590 54.742 0.848 1
1 1007 . 5 1 1 A 90 90 LYS CB C 90 34.742 35.863 -1.121 1
1 1011 . 5 1 1 A 90 90 LYS N N 90 121.945 119.172 2.773 1
1 1012 . 5 1 1 A 91 91 ALA H H 91 8.975 9.293 -0.318 1
1 1013 . 5 1 1 A 91 91 ALA HA H 91 4.738 5.169 -0.431 1
1 1017 . 5 1 1 A 91 91 ALA C C 91 175.585 175.919 -0.334 1
1 1018 . 5 1 1 A 91 91 ALA CA C 91 50.741 50.122 0.619 1
1 1019 . 5 1 1 A 91 91 ALA CB C 91 22.890 22.440 0.450 1
1 1020 . 5 1 1 A 91 91 ALA N N 91 124.604 124.237 0.367 1
1 1021 . 5 1 1 A 92 92 LEU H H 92 8.523 8.337 0.186 1
1 1022 . 5 1 1 A 92 92 LEU HA H 92 4.707 4.731 -0.024 1
1 1032 . 5 1 1 A 92 92 LEU C C 92 174.752 174.135 0.617 1
1 1033 . 5 1 1 A 92 92 LEU CA C 92 55.285 54.114 1.171 1
1 1034 . 5 1 1 A 92 92 LEU CB C 92 43.267 42.939 0.328 1
1 1038 . 5 1 1 A 92 92 LEU N N 92 123.888 123.610 0.278 1
1 1039 . 5 1 1 A 93 93 TYR H H 93 9.289 9.370 -0.081 1
1 1040 . 5 1 1 A 93 93 TYR HA H 93 5.269 5.445 -0.176 1
1 1047 . 5 1 1 A 93 93 TYR C C 93 174.528 175.669 -1.141 1
1 1048 . 5 1 1 A 93 93 TYR CA C 93 56.505 56.885 -0.380 1
1 1049 . 5 1 1 A 93 93 TYR CB C 93 41.881 41.135 0.746 1
1 1054 . 5 1 1 A 93 93 TYR N N 93 126.872 127.703 -0.831 1
1 1055 . 5 1 1 A 94 94 LEU H H 94 9.551 9.205 0.346 1
1 1056 . 5 1 1 A 94 94 LEU HA H 94 5.869 5.455 0.414 1
1 1066 . 5 1 1 A 94 94 LEU C C 94 173.433 175.043 -1.610 1
1 1067 . 5 1 1 A 94 94 LEU CA C 94 54.131 53.523 0.608 1
1 1068 . 5 1 1 A 94 94 LEU CB C 94 46.320 45.917 0.403 1
1 1072 . 5 1 1 A 94 94 LEU N N 94 117.884 123.432 -5.548 1
1 1073 . 5 1 1 A 95 95 ARG H H 95 8.603 8.752 -0.149 1
1 1074 . 5 1 1 A 95 95 ARG HA H 95 4.707 4.815 -0.108 1
1 1082 . 5 1 1 A 95 95 ARG C C 95 174.605 174.619 -0.014 1
1 1083 . 5 1 1 A 95 95 ARG CA C 95 53.795 53.952 -0.157 1
1 1084 . 5 1 1 A 95 95 ARG CB C 95 33.468 33.294 0.174 1
1 1087 . 5 1 1 A 95 95 ARG N N 95 116.939 119.873 -2.934 1
1 1089 . 5 1 1 A 96 96 ALA H H 96 9.072 8.362 0.710 1
1 1090 . 5 1 1 A 96 96 ALA HA H 96 4.404 4.361 0.043 1
1 1094 . 5 1 1 A 96 96 ALA C C 96 177.811 176.953 0.858 1
1 1095 . 5 1 1 A 96 96 ALA CA C 96 52.324 52.130 0.194 1
1 1096 . 5 1 1 A 96 96 ALA CB C 96 18.248 19.274 -1.026 1
1 1097 . 5 1 1 A 96 96 ALA N N 96 124.914 124.003 0.911 1
1 1098 . 5 1 1 A 97 97 LYS H H 97 7.989 8.048 -0.059 1
1 1099 . 5 1 1 A 97 97 LYS HA H 97 3.922 4.640 -0.718 1
1 1108 . 5 1 1 A 97 97 LYS C C 97 175.978 175.151 0.827 1
1 1109 . 5 1 1 A 97 97 LYS CA C 97 56.915 55.701 1.214 1
1 1110 . 5 1 1 A 97 97 LYS CB C 97 32.864 33.589 -0.725 1
1 1114 . 5 1 1 A 97 97 LYS N N 97 123.129 122.826 0.303 1
1 1115 . 5 1 1 A 98 98 LEU H H 98 8.118 8.884 -0.766 1
1 1116 . 5 1 1 A 98 98 LEU HA H 98 4.321 4.726 -0.405 1
1 1126 . 5 1 1 A 98 98 LEU C C 98 176.592 176.867 -0.275 1
1 1127 . 5 1 1 A 98 98 LEU CA C 98 54.627 53.445 1.182 1
1 1128 . 5 1 1 A 98 98 LEU CB C 98 42.566 42.949 -0.383 1
1 1132 . 5 1 1 A 98 98 LEU N N 98 123.816 126.842 -3.026 1
1 1133 . 5 1 1 A 99 99 GLU H H 99 8.376 8.795 -0.419 1
1 1134 . 5 1 1 A 99 99 GLU C C 99 175.790 176.009 -0.219 1
1 1 . 6 1 1 A 5 5 SER H H 5 8.350 7.476 0.874 1
1 2 . 6 1 1 A 5 5 SER N N 5 116.816 118.552 -1.736 1
1 3 . 6 1 1 A 9 9 GLN H H 9 8.479 8.474 0.005 1
1 4 . 6 1 1 A 9 9 GLN N N 9 121.973 121.913 0.060 1
1 5 . 6 1 1 A 10 10 PRO HA H 10 4.392 4.467 -0.075 1
1 8 . 6 1 1 A 10 10 PRO C C 10 176.702 176.656 0.046 1
1 9 . 6 1 1 A 10 10 PRO CA C 10 63.029 62.856 0.173 1
1 10 . 6 1 1 A 10 10 PRO CB C 10 32.056 32.103 -0.047 1
1 11 . 6 1 1 A 11 11 ALA H H 11 8.421 8.226 0.195 1
1 12 . 6 1 1 A 11 11 ALA HA H 11 4.254 4.232 0.022 1
1 16 . 6 1 1 A 11 11 ALA C C 11 177.592 177.064 0.528 1
1 17 . 6 1 1 A 11 11 ALA CA C 11 52.405 52.307 0.098 1
1 18 . 6 1 1 A 11 11 ALA CB C 11 19.242 18.135 1.107 1
1 19 . 6 1 1 A 11 11 ALA N N 11 124.566 125.734 -1.168 1
1 20 . 6 1 1 A 12 12 ALA H H 12 8.297 8.663 -0.366 1
1 21 . 6 1 1 A 12 12 ALA HA H 12 4.278 5.006 -0.728 1
1 25 . 6 1 1 A 12 12 ALA C C 12 177.607 176.372 1.235 1
1 26 . 6 1 1 A 12 12 ALA CA C 12 52.402 50.356 2.046 1
1 27 . 6 1 1 A 12 12 ALA CB C 12 19.397 23.509 -4.112 1
1 28 . 6 1 1 A 12 12 ALA N N 12 123.470 126.092 -2.622 1
1 29 . 6 1 1 A 13 13 GLN H H 13 8.302 8.319 -0.017 1
1 30 . 6 1 1 A 13 13 GLN HA H 13 4.304 4.659 -0.355 1
1 33 . 6 1 1 A 13 13 GLN C C 13 175.344 175.948 -0.604 1
1 34 . 6 1 1 A 13 13 GLN CA C 13 55.396 54.667 0.729 1
1 35 . 6 1 1 A 13 13 GLN CB C 13 29.738 30.298 -0.560 1
1 36 . 6 1 1 A 13 13 GLN N N 13 119.718 117.559 2.159 1
1 37 . 6 1 1 A 14 14 ALA H H 14 8.405 8.572 -0.167 1
1 38 . 6 1 1 A 14 14 ALA HA H 14 4.580 4.519 0.061 1
1 42 . 6 1 1 A 14 14 ALA C C 14 175.619 175.880 -0.261 1
1 43 . 6 1 1 A 14 14 ALA CA C 14 50.607 50.854 -0.247 1
1 44 . 6 1 1 A 14 14 ALA CB C 14 18.031 17.911 0.120 1
1 45 . 6 1 1 A 14 14 ALA N N 14 127.291 124.767 2.524 1
1 46 . 6 1 1 A 15 15 PRO HA H 15 4.399 4.544 -0.145 1
1 49 . 6 1 1 A 15 15 PRO C C 15 177.086 176.567 0.519 1
1 50 . 6 1 1 A 15 15 PRO CA C 15 63.294 62.310 0.984 1
1 51 . 6 1 1 A 15 15 PRO CB C 15 31.988 33.024 -1.036 1
1 52 . 6 1 1 A 16 16 GLU H H 16 8.656 8.582 0.074 1
1 53 . 6 1 1 A 16 16 GLU HA H 16 4.306 4.608 -0.302 1
1 56 . 6 1 1 A 16 16 GLU C C 16 176.897 176.925 -0.028 1
1 57 . 6 1 1 A 16 16 GLU CA C 16 56.771 56.019 0.752 1
1 58 . 6 1 1 A 16 16 GLU CB C 16 30.209 30.671 -0.462 1
1 59 . 6 1 1 A 16 16 GLU N N 16 120.957 120.647 0.310 1
1 60 . 6 1 1 A 17 17 THR H H 17 8.202 8.592 -0.390 1
1 61 . 6 1 1 A 17 17 THR HA H 17 4.336 4.264 0.072 1
1 66 . 6 1 1 A 17 17 THR C C 17 174.612 173.140 1.472 1
1 67 . 6 1 1 A 17 17 THR CA C 17 61.981 62.257 -0.276 1
1 68 . 6 1 1 A 17 17 THR CB C 17 69.928 67.267 2.661 1
1 70 . 6 1 1 A 17 17 THR N N 17 115.763 117.701 -1.938 1
1 71 . 6 1 1 A 18 18 LYS H H 18 8.373 8.582 -0.209 1
1 72 . 6 1 1 A 18 18 LYS HA H 18 4.365 4.788 -0.423 1
1 81 . 6 1 1 A 18 18 LYS C C 18 176.509 175.882 0.627 1
1 82 . 6 1 1 A 18 18 LYS CA C 18 56.348 54.813 1.535 1
1 83 . 6 1 1 A 18 18 LYS CB C 18 33.051 34.194 -1.143 1
1 87 . 6 1 1 A 18 18 LYS N N 18 123.975 127.978 -4.003 1
1 88 . 6 1 1 A 19 19 GLN H H 19 8.387 8.309 0.078 1
1 89 . 6 1 1 A 19 19 GLN HA H 19 4.378 4.335 0.043 1
1 96 . 6 1 1 A 19 19 GLN C C 19 175.630 175.353 0.277 1
1 97 . 6 1 1 A 19 19 GLN CA C 19 55.614 55.794 -0.180 1
1 98 . 6 1 1 A 19 19 GLN CB C 19 29.749 29.056 0.693 1
1 100 . 6 1 1 A 19 19 GLN N N 19 121.480 125.936 -4.456 1
1 102 . 6 1 1 A 20 20 ALA H H 20 8.505 8.756 -0.251 1
1 103 . 6 1 1 A 20 20 ALA HA H 20 4.449 5.365 -0.916 1
1 107 . 6 1 1 A 20 20 ALA C C 20 177.361 176.652 0.709 1
1 108 . 6 1 1 A 20 20 ALA CA C 20 52.165 50.173 1.992 1
1 109 . 6 1 1 A 20 20 ALA CB C 20 19.253 21.069 -1.816 1
1 110 . 6 1 1 A 20 20 ALA N N 20 125.974 122.466 3.508 1
1 111 . 6 1 1 A 21 21 PHE H H 21 8.851 9.269 -0.418 1
1 112 . 6 1 1 A 21 21 PHE HA H 21 4.422 4.953 -0.531 1
1 120 . 6 1 1 A 21 21 PHE C C 21 176.063 174.645 1.418 1
1 121 . 6 1 1 A 21 21 PHE CA C 21 56.142 56.835 -0.693 1
1 122 . 6 1 1 A 21 21 PHE CB C 21 39.867 38.821 1.046 1
1 128 . 6 1 1 A 21 21 PHE N N 21 124.486 121.648 2.838 1
1 129 . 6 1 1 A 22 22 PRO HA H 22 4.856 4.955 -0.099 1
1 136 . 6 1 1 A 22 22 PRO C C 22 174.848 177.287 -2.439 1
1 137 . 6 1 1 A 22 22 PRO CA C 22 62.078 62.252 -0.174 1
1 138 . 6 1 1 A 22 22 PRO CB C 22 28.563 30.449 -1.886 1
1 141 . 6 1 1 A 23 23 ARG H H 23 8.356 8.672 -0.316 1
1 142 . 6 1 1 A 23 23 ARG HA H 23 3.650 4.088 -0.438 1
1 149 . 6 1 1 A 23 23 ARG C C 23 176.762 178.327 -1.565 1
1 150 . 6 1 1 A 23 23 ARG CA C 23 60.448 58.420 2.028 1
1 151 . 6 1 1 A 23 23 ARG CB C 23 31.422 29.540 1.882 1
1 154 . 6 1 1 A 23 23 ARG N N 23 126.815 121.576 5.239 1
1 155 . 6 1 1 A 24 24 LYS H H 24 8.555 8.099 0.456 1
1 156 . 6 1 1 A 24 24 LYS HA H 24 3.926 3.999 -0.073 1
1 165 . 6 1 1 A 24 24 LYS C C 24 179.506 178.102 1.404 1
1 166 . 6 1 1 A 24 24 LYS CA C 24 59.888 58.670 1.218 1
1 167 . 6 1 1 A 24 24 LYS CB C 24 31.782 32.025 -0.243 1
1 171 . 6 1 1 A 24 24 LYS N N 24 116.573 119.082 -2.509 1
1 172 . 6 1 1 A 25 25 PHE H H 25 7.575 7.564 0.011 1
1 173 . 6 1 1 A 25 25 PHE HA H 25 4.487 4.474 0.013 1
1 181 . 6 1 1 A 25 25 PHE C C 25 177.447 177.830 -0.383 1
1 182 . 6 1 1 A 25 25 PHE CA C 25 59.779 60.044 -0.265 1
1 183 . 6 1 1 A 25 25 PHE CB C 25 38.791 40.082 -1.291 1
1 189 . 6 1 1 A 25 25 PHE N N 25 118.123 117.592 0.531 1
1 190 . 6 1 1 A 26 26 VAL H H 26 8.024 8.478 -0.454 1
1 191 . 6 1 1 A 26 26 VAL HA H 26 3.608 3.685 -0.077 1
1 199 . 6 1 1 A 26 26 VAL C C 26 177.770 178.228 -0.458 1
1 200 . 6 1 1 A 26 26 VAL CA C 26 66.473 66.901 -0.428 1
1 201 . 6 1 1 A 26 26 VAL CB C 26 31.408 31.623 -0.215 1
1 204 . 6 1 1 A 26 26 VAL N N 26 117.081 119.614 -2.533 1
1 205 . 6 1 1 A 27 27 LEU H H 27 8.220 8.257 -0.037 1
1 206 . 6 1 1 A 27 27 LEU HA H 27 4.234 4.112 0.122 1
1 216 . 6 1 1 A 27 27 LEU C C 27 180.010 179.403 0.607 1
1 217 . 6 1 1 A 27 27 LEU CA C 27 57.864 57.713 0.151 1
1 218 . 6 1 1 A 27 27 LEU CB C 27 40.488 40.617 -0.129 1
1 222 . 6 1 1 A 27 27 LEU N N 27 118.748 117.754 0.994 1
1 223 . 6 1 1 A 28 28 ALA H H 28 8.014 8.363 -0.349 1
1 224 . 6 1 1 A 28 28 ALA HA H 28 4.289 4.333 -0.044 1
1 228 . 6 1 1 A 28 28 ALA C C 28 179.951 179.445 0.506 1
1 229 . 6 1 1 A 28 28 ALA CA C 28 55.110 55.539 -0.429 1
1 230 . 6 1 1 A 28 28 ALA CB C 28 17.970 17.957 0.013 1
1 231 . 6 1 1 A 28 28 ALA N N 28 124.088 122.418 1.670 1
1 232 . 6 1 1 A 29 29 ALA H H 29 8.259 8.414 -0.155 1
1 233 . 6 1 1 A 29 29 ALA HA H 29 3.942 4.561 -0.619 1
1 237 . 6 1 1 A 29 29 ALA C C 29 180.505 180.286 0.219 1
1 238 . 6 1 1 A 29 29 ALA CA C 29 54.976 55.249 -0.273 1
1 239 . 6 1 1 A 29 29 ALA CB C 29 17.923 18.159 -0.236 1
1 240 . 6 1 1 A 29 29 ALA N N 29 120.431 121.167 -0.736 1
1 241 . 6 1 1 A 30 30 LEU H H 30 8.098 8.339 -0.241 1
1 242 . 6 1 1 A 30 30 LEU HA H 30 4.007 4.219 -0.212 1
1 252 . 6 1 1 A 30 30 LEU C C 30 178.315 178.282 0.033 1
1 253 . 6 1 1 A 30 30 LEU CA C 30 58.096 58.136 -0.040 1
1 254 . 6 1 1 A 30 30 LEU CB C 30 41.486 41.462 0.024 1
1 258 . 6 1 1 A 30 30 LEU N N 30 120.849 120.827 0.022 1
1 259 . 6 1 1 A 31 31 GLU H H 31 8.115 8.690 -0.575 1
1 260 . 6 1 1 A 31 31 GLU HA H 31 3.967 4.068 -0.101 1
1 265 . 6 1 1 A 31 31 GLU C C 31 179.473 177.881 1.592 1
1 266 . 6 1 1 A 31 31 GLU CA C 31 59.683 59.285 0.398 1
1 267 . 6 1 1 A 31 31 GLU CB C 31 29.402 29.203 0.199 1
1 269 . 6 1 1 A 31 31 GLU N N 31 120.752 117.440 3.312 1
1 270 . 6 1 1 A 32 32 GLN H H 32 7.812 7.970 -0.158 1
1 271 . 6 1 1 A 32 32 GLN HA H 32 4.001 4.099 -0.098 1
1 278 . 6 1 1 A 32 32 GLN C C 32 176.519 176.131 0.388 1
1 279 . 6 1 1 A 32 32 GLN CA C 32 57.576 57.786 -0.210 1
1 280 . 6 1 1 A 32 32 GLN CB C 32 29.108 28.238 0.870 1
1 282 . 6 1 1 A 32 32 GLN N N 32 114.711 118.979 -4.268 1
1 284 . 6 1 1 A 33 33 SER H H 33 7.460 7.664 -0.204 1
1 285 . 6 1 1 A 33 33 SER HA H 33 4.257 4.477 -0.220 1
1 288 . 6 1 1 A 33 33 SER C C 33 174.508 174.026 0.482 1
1 289 . 6 1 1 A 33 33 SER CA C 33 58.504 57.381 1.123 1
1 290 . 6 1 1 A 33 33 SER CB C 33 65.131 63.685 1.446 1
1 291 . 6 1 1 A 33 33 SER N N 33 110.604 114.629 -4.025 1
1 292 . 6 1 1 A 34 34 SER H H 34 7.429 7.422 0.007 1
1 293 . 6 1 1 A 34 34 SER HA H 34 4.468 4.979 -0.511 1
1 296 . 6 1 1 A 34 34 SER C C 34 174.588 174.078 0.510 1
1 297 . 6 1 1 A 34 34 SER CA C 34 58.556 57.882 0.674 1
1 298 . 6 1 1 A 34 34 SER CB C 34 65.278 64.912 0.366 1
1 299 . 6 1 1 A 34 34 SER N N 34 117.544 117.184 0.360 1
1 300 . 6 1 1 A 35 35 ASP H H 35 8.822 9.338 -0.516 1
1 301 . 6 1 1 A 35 35 ASP HA H 35 4.778 4.975 -0.197 1
1 304 . 6 1 1 A 35 35 ASP C C 35 178.268 177.705 0.563 1
1 305 . 6 1 1 A 35 35 ASP CA C 35 52.849 53.293 -0.444 1
1 306 . 6 1 1 A 35 35 ASP CB C 35 41.314 42.226 -0.912 1
1 307 . 6 1 1 A 35 35 ASP N N 35 121.575 123.111 -1.536 1
1 308 . 6 1 1 A 36 36 ASP H H 36 8.483 8.962 -0.479 1
1 309 . 6 1 1 A 36 36 ASP HA H 36 4.414 4.264 0.150 1
1 312 . 6 1 1 A 36 36 ASP C C 36 176.670 177.664 -0.994 1
1 313 . 6 1 1 A 36 36 ASP CA C 36 56.605 58.113 -1.508 1
1 314 . 6 1 1 A 36 36 ASP CB C 36 40.286 40.931 -0.645 1
1 315 . 6 1 1 A 36 36 ASP N N 36 117.398 122.713 -5.315 1
1 316 . 6 1 1 A 37 37 ALA H H 37 8.242 7.495 0.747 1
1 317 . 6 1 1 A 37 37 ALA HA H 37 4.532 4.317 0.215 1
1 321 . 6 1 1 A 37 37 ALA C C 37 177.407 177.668 -0.261 1
1 322 . 6 1 1 A 37 37 ALA CA C 37 51.677 51.971 -0.294 1
1 323 . 6 1 1 A 37 37 ALA CB C 37 19.774 19.345 0.429 1
1 324 . 6 1 1 A 37 37 ALA N N 37 122.052 118.289 3.763 1
1 325 . 6 1 1 A 38 38 GLY H H 38 8.155 8.226 -0.071 1
1 326 . 6 1 1 A 38 38 GLY HA2 H 38 3.624 3.705 -0.081 1
1 327 . 6 1 1 A 38 38 GLY HA3 H 38 4.080 3.816 0.264 1
1 328 . 6 1 1 A 38 38 GLY C C 38 173.417 174.188 -0.771 1
1 329 . 6 1 1 A 38 38 GLY CA C 38 45.093 45.308 -0.215 1
1 330 . 6 1 1 A 38 38 GLY N N 38 107.721 106.565 1.156 1
1 331 . 6 1 1 A 39 39 TRP H H 39 8.449 7.825 0.624 1
1 332 . 6 1 1 A 39 39 TRP HA H 39 5.054 4.581 0.473 1
1 341 . 6 1 1 A 39 39 TRP C C 39 176.577 176.261 0.316 1
1 342 . 6 1 1 A 39 39 TRP CA C 39 56.596 58.130 -1.534 1
1 343 . 6 1 1 A 39 39 TRP CB C 39 32.184 29.875 2.309 1
1 349 . 6 1 1 A 39 39 TRP N N 39 119.797 120.800 -1.003 1
1 351 . 6 1 1 A 40 40 ALA H H 40 9.855 9.361 0.494 1
1 352 . 6 1 1 A 40 40 ALA HA H 40 5.099 5.339 -0.240 1
1 356 . 6 1 1 A 40 40 ALA C C 40 176.165 176.573 -0.408 1
1 357 . 6 1 1 A 40 40 ALA CA C 40 50.202 50.311 -0.109 1
1 358 . 6 1 1 A 40 40 ALA CB C 40 23.153 21.546 1.607 1
1 359 . 6 1 1 A 40 40 ALA N N 40 124.618 126.654 -2.036 1
1 360 . 6 1 1 A 41 41 ASN H H 41 8.794 8.564 0.230 1
1 361 . 6 1 1 A 41 41 ASN HA H 41 3.771 4.135 -0.364 1
1 366 . 6 1 1 A 41 41 ASN C C 41 175.824 176.351 -0.527 1
1 367 . 6 1 1 A 41 41 ASN CA C 41 52.724 53.254 -0.530 1
1 368 . 6 1 1 A 41 41 ASN CB C 41 39.927 39.729 0.198 1
1 369 . 6 1 1 A 41 41 ASN N N 41 121.050 121.532 -0.482 1
1 371 . 6 1 1 A 42 42 LEU H H 42 8.493 8.629 -0.136 1
1 372 . 6 1 1 A 42 42 LEU HA H 42 3.834 4.074 -0.240 1
1 382 . 6 1 1 A 42 42 LEU C C 42 178.256 179.088 -0.832 1
1 383 . 6 1 1 A 42 42 LEU CA C 42 58.859 58.354 0.505 1
1 384 . 6 1 1 A 42 42 LEU CB C 42 42.233 41.902 0.331 1
1 388 . 6 1 1 A 42 42 LEU N N 42 126.418 129.232 -2.814 1
1 389 . 6 1 1 A 43 43 GLY H H 43 8.440 8.180 0.260 1
1 390 . 6 1 1 A 43 43 GLY HA2 H 43 3.912 3.739 0.173 1
1 391 . 6 1 1 A 43 43 GLY HA3 H 43 3.822 3.754 0.068 1
1 392 . 6 1 1 A 43 43 GLY C C 43 176.344 176.133 0.211 1
1 393 . 6 1 1 A 43 43 GLY CA C 43 47.070 47.424 -0.354 1
1 394 . 6 1 1 A 43 43 GLY N N 43 106.800 106.604 0.196 1
1 395 . 6 1 1 A 44 44 ASN H H 44 7.916 7.570 0.346 1
1 396 . 6 1 1 A 44 44 ASN HA H 44 4.472 4.490 -0.018 1
1 401 . 6 1 1 A 44 44 ASN C C 44 177.888 178.023 -0.135 1
1 402 . 6 1 1 A 44 44 ASN CA C 44 56.004 56.006 -0.002 1
1 403 . 6 1 1 A 44 44 ASN CB C 44 38.316 38.208 0.108 1
1 404 . 6 1 1 A 44 44 ASN N N 44 121.472 120.062 1.410 1
1 406 . 6 1 1 A 45 45 PHE H H 45 8.563 8.397 0.166 1
1 407 . 6 1 1 A 45 45 PHE HA H 45 4.498 4.410 0.088 1
1 415 . 6 1 1 A 45 45 PHE C C 45 176.732 177.918 -1.186 1
1 416 . 6 1 1 A 45 45 PHE CA C 45 60.350 59.901 0.449 1
1 417 . 6 1 1 A 45 45 PHE CB C 45 38.824 38.824 0.000 1
1 423 . 6 1 1 A 45 45 PHE N N 45 121.835 121.495 0.340 1
1 424 . 6 1 1 A 46 46 GLY H H 46 8.933 8.889 0.044 1
1 425 . 6 1 1 A 46 46 GLY HA2 H 46 3.820 3.423 0.397 1
1 426 . 6 1 1 A 46 46 GLY HA3 H 46 3.186 3.624 -0.438 1
1 427 . 6 1 1 A 46 46 GLY C C 46 176.053 175.613 0.440 1
1 428 . 6 1 1 A 46 46 GLY CA C 46 47.171 46.972 0.199 1
1 429 . 6 1 1 A 46 46 GLY N N 46 106.269 106.406 -0.137 1
1 430 . 6 1 1 A 47 47 ASN H H 47 7.812 8.061 -0.249 1
1 431 . 6 1 1 A 47 47 ASN HA H 47 4.470 4.411 0.059 1
1 436 . 6 1 1 A 47 47 ASN C C 47 178.087 177.179 0.908 1
1 437 . 6 1 1 A 47 47 ASN CA C 47 55.974 56.002 -0.028 1
1 438 . 6 1 1 A 47 47 ASN CB C 47 38.149 39.034 -0.885 1
1 439 . 6 1 1 A 47 47 ASN N N 47 120.030 119.677 0.353 1
1 441 . 6 1 1 A 48 48 TYR H H 48 8.093 8.090 0.003 1
1 442 . 6 1 1 A 48 48 TYR HA H 48 4.007 4.209 -0.202 1
1 449 . 6 1 1 A 48 48 TYR C C 48 178.310 177.479 0.831 1
1 450 . 6 1 1 A 48 48 TYR CA C 48 62.527 61.071 1.456 1
1 451 . 6 1 1 A 48 48 TYR CB C 48 38.254 38.803 -0.549 1
1 456 . 6 1 1 A 48 48 TYR N N 48 121.030 120.279 0.751 1
1 457 . 6 1 1 A 49 49 LEU H H 49 8.480 8.355 0.125 1
1 458 . 6 1 1 A 49 49 LEU HA H 49 3.624 3.908 -0.284 1
1 468 . 6 1 1 A 49 49 LEU C C 49 177.653 178.335 -0.682 1
1 469 . 6 1 1 A 49 49 LEU CA C 49 58.321 58.033 0.288 1
1 470 . 6 1 1 A 49 49 LEU CB C 49 41.046 41.220 -0.174 1
1 474 . 6 1 1 A 49 49 LEU N N 49 121.024 121.141 -0.117 1
1 475 . 6 1 1 A 50 50 ASN H H 50 7.564 7.592 -0.028 1
1 476 . 6 1 1 A 50 50 ASN HA H 50 4.493 4.552 -0.059 1
1 481 . 6 1 1 A 50 50 ASN C C 50 176.498 177.401 -0.903 1
1 482 . 6 1 1 A 50 50 ASN CA C 50 55.479 55.538 -0.059 1
1 483 . 6 1 1 A 50 50 ASN CB C 50 39.302 39.223 0.079 1
1 484 . 6 1 1 A 50 50 ASN N N 50 114.582 116.358 -1.776 1
1 486 . 6 1 1 A 51 51 LYS H H 51 7.370 7.818 -0.448 1
1 487 . 6 1 1 A 51 51 LYS HA H 51 3.990 3.922 0.068 1
1 496 . 6 1 1 A 51 51 LYS C C 51 178.403 179.134 -0.731 1
1 497 . 6 1 1 A 51 51 LYS CA C 51 58.512 59.362 -0.850 1
1 498 . 6 1 1 A 51 51 LYS CB C 51 32.245 32.090 0.155 1
1 502 . 6 1 1 A 51 51 LYS N N 51 118.289 118.828 -0.539 1
1 503 . 6 1 1 A 52 52 LEU H H 52 7.518 7.260 0.258 1
1 504 . 6 1 1 A 52 52 LEU HA H 52 4.085 4.157 -0.072 1
1 514 . 6 1 1 A 52 52 LEU C C 52 177.924 176.548 1.376 1
1 515 . 6 1 1 A 52 52 LEU CA C 52 56.424 56.558 -0.134 1
1 516 . 6 1 1 A 52 52 LEU CB C 52 42.952 43.401 -0.449 1
1 520 . 6 1 1 A 52 52 LEU N N 52 117.841 118.828 -0.987 1
1 521 . 6 1 1 A 53 53 GLN H H 53 8.438 7.878 0.560 1
1 522 . 6 1 1 A 53 53 GLN HA H 53 4.583 4.643 -0.060 1
1 529 . 6 1 1 A 53 53 GLN C C 53 172.039 174.097 -2.058 1
1 530 . 6 1 1 A 53 53 GLN CA C 53 52.780 53.613 -0.833 1
1 531 . 6 1 1 A 53 53 GLN CB C 53 29.902 29.041 0.861 1
1 533 . 6 1 1 A 53 53 GLN N N 53 118.578 118.296 0.282 1
1 535 . 6 1 1 A 54 54 PRO HA H 54 4.718 4.425 0.293 1
1 542 . 6 1 1 A 54 54 PRO C C 54 177.295 177.566 -0.271 1
1 543 . 6 1 1 A 54 54 PRO CA C 54 64.754 64.514 0.240 1
1 544 . 6 1 1 A 54 54 PRO CB C 54 31.924 31.925 -0.001 1
1 547 . 6 1 1 A 55 55 ASP H H 55 8.349 8.385 -0.036 1
1 548 . 6 1 1 A 55 55 ASP HA H 55 4.596 4.575 0.021 1
1 551 . 6 1 1 A 55 55 ASP C C 55 176.361 175.906 0.455 1
1 552 . 6 1 1 A 55 55 ASP CA C 55 53.467 55.409 -1.942 1
1 553 . 6 1 1 A 55 55 ASP CB C 55 40.050 40.661 -0.611 1
1 554 . 6 1 1 A 55 55 ASP N N 55 114.766 116.695 -1.929 1
1 555 . 6 1 1 A 56 56 PHE H H 56 8.187 7.623 0.564 1
1 556 . 6 1 1 A 56 56 PHE HA H 56 4.055 4.912 -0.857 1
1 564 . 6 1 1 A 56 56 PHE C C 56 175.257 174.009 1.248 1
1 565 . 6 1 1 A 56 56 PHE CA C 56 61.149 56.415 4.734 1
1 566 . 6 1 1 A 56 56 PHE CB C 56 38.680 39.209 -0.529 1
1 572 . 6 1 1 A 56 56 PHE N N 56 122.323 120.993 1.330 1
1 573 . 6 1 1 A 57 57 ASP H H 57 6.887 8.593 -1.706 1
1 574 . 6 1 1 A 57 57 ASP HA H 57 4.670 4.976 -0.306 1
1 577 . 6 1 1 A 57 57 ASP C C 57 176.308 176.749 -0.441 1
1 578 . 6 1 1 A 57 57 ASP CA C 57 52.895 52.771 0.124 1
1 579 . 6 1 1 A 57 57 ASP CB C 57 42.942 43.247 -0.305 1
1 580 . 6 1 1 A 57 57 ASP N N 57 127.342 128.161 -0.819 1
1 581 . 6 1 1 A 58 58 SER H H 58 9.284 8.924 0.360 1
1 582 . 6 1 1 A 58 58 SER HA H 58 3.991 4.123 -0.132 1
1 585 . 6 1 1 A 58 58 SER C C 58 176.248 176.511 -0.263 1
1 586 . 6 1 1 A 58 58 SER CA C 58 63.050 61.727 1.323 1
1 587 . 6 1 1 A 58 58 SER CB C 58 63.339 62.589 0.750 1
1 588 . 6 1 1 A 58 58 SER N N 58 123.478 121.745 1.733 1
1 589 . 6 1 1 A 59 59 ARG H H 59 8.639 7.680 0.959 1
1 590 . 6 1 1 A 59 59 ARG HA H 59 4.073 4.258 -0.185 1
1 597 . 6 1 1 A 59 59 ARG C C 59 180.693 178.913 1.780 1
1 598 . 6 1 1 A 59 59 ARG CA C 59 58.787 58.939 -0.152 1
1 599 . 6 1 1 A 59 59 ARG CB C 59 29.824 29.948 -0.124 1
1 602 . 6 1 1 A 59 59 ARG N N 59 123.207 122.854 0.353 1
1 603 . 6 1 1 A 60 60 LEU H H 60 7.460 7.886 -0.426 1
1 604 . 6 1 1 A 60 60 LEU HA H 60 3.841 4.037 -0.196 1
1 614 . 6 1 1 A 60 60 LEU C C 60 177.018 177.355 -0.337 1
1 615 . 6 1 1 A 60 60 LEU CA C 60 56.556 56.874 -0.318 1
1 616 . 6 1 1 A 60 60 LEU CB C 60 41.013 41.307 -0.294 1
1 620 . 6 1 1 A 60 60 LEU N N 60 120.191 118.910 1.281 1
1 621 . 6 1 1 A 61 61 TYR H H 61 7.200 7.893 -0.693 1
1 622 . 6 1 1 A 61 61 TYR HA H 61 4.781 4.683 0.098 1
1 629 . 6 1 1 A 61 61 TYR C C 61 175.303 175.807 -0.504 1
1 630 . 6 1 1 A 61 61 TYR CA C 61 56.371 57.793 -1.422 1
1 631 . 6 1 1 A 61 61 TYR CB C 61 38.825 38.878 -0.053 1
1 636 . 6 1 1 A 61 61 TYR N N 61 114.720 116.523 -1.803 1
1 637 . 6 1 1 A 62 62 GLY H H 62 7.354 7.962 -0.608 1
1 638 . 6 1 1 A 62 62 GLY HA2 H 62 3.968 3.864 0.104 1
1 639 . 6 1 1 A 62 62 GLY HA3 H 62 3.552 3.909 -0.357 1
1 640 . 6 1 1 A 62 62 GLY C C 62 173.542 173.969 -0.427 1
1 641 . 6 1 1 A 62 62 GLY CA C 62 44.889 45.998 -1.109 1
1 642 . 6 1 1 A 62 62 GLY N N 62 104.100 109.279 -5.179 1
1 643 . 6 1 1 A 63 63 TYR H H 63 7.377 7.715 -0.338 1
1 644 . 6 1 1 A 63 63 TYR HA H 63 4.937 4.746 0.191 1
1 651 . 6 1 1 A 63 63 TYR C C 63 175.675 176.133 -0.458 1
1 652 . 6 1 1 A 63 63 TYR CA C 63 56.902 57.761 -0.859 1
1 653 . 6 1 1 A 63 63 TYR CB C 63 42.609 40.974 1.635 1
1 658 . 6 1 1 A 63 63 TYR N N 63 117.874 118.907 -1.033 1
1 659 . 6 1 1 A 64 64 LYS H H 64 9.403 9.035 0.368 1
1 660 . 6 1 1 A 64 64 LYS HA H 64 3.914 4.303 -0.389 1
1 669 . 6 1 1 A 64 64 LYS C C 64 176.334 176.480 -0.146 1
1 670 . 6 1 1 A 64 64 LYS CA C 64 59.534 57.319 2.215 1
1 671 . 6 1 1 A 64 64 LYS CB C 64 32.892 33.221 -0.329 1
1 675 . 6 1 1 A 64 64 LYS N N 64 123.946 122.546 1.400 1
1 676 . 6 1 1 A 65 65 LYS H H 65 7.635 7.602 0.033 1
1 677 . 6 1 1 A 65 65 LYS HA H 65 4.787 4.638 0.149 1
1 686 . 6 1 1 A 65 65 LYS C C 65 177.231 176.474 0.757 1
1 687 . 6 1 1 A 65 65 LYS CA C 65 54.089 55.298 -1.209 1
1 688 . 6 1 1 A 65 65 LYS CB C 65 35.722 34.733 0.989 1
1 692 . 6 1 1 A 65 65 LYS N N 65 112.461 114.770 -2.309 1
1 693 . 6 1 1 A 66 66 LEU H H 66 9.090 8.753 0.337 1
1 694 . 6 1 1 A 66 66 LEU HA H 66 4.240 4.017 0.223 1
1 704 . 6 1 1 A 66 66 LEU C C 66 178.820 178.147 0.673 1
1 705 . 6 1 1 A 66 66 LEU CA C 66 58.129 58.495 -0.366 1
1 706 . 6 1 1 A 66 66 LEU CB C 66 41.476 41.318 0.158 1
1 710 . 6 1 1 A 66 66 LEU N N 66 124.584 122.040 2.544 1
1 711 . 6 1 1 A 67 67 SER H H 67 8.867 8.362 0.505 1
1 712 . 6 1 1 A 67 67 SER HA H 67 3.697 4.197 -0.500 1
1 715 . 6 1 1 A 67 67 SER C C 67 175.588 176.194 -0.606 1
1 716 . 6 1 1 A 67 67 SER CA C 67 61.518 61.359 0.159 1
1 717 . 6 1 1 A 67 67 SER CB C 67 61.537 62.431 -0.894 1
1 718 . 6 1 1 A 67 67 SER N N 67 112.095 114.449 -2.354 1
1 719 . 6 1 1 A 68 68 ASP H H 68 6.783 8.322 -1.539 1
1 720 . 6 1 1 A 68 68 ASP HA H 68 4.356 4.454 -0.098 1
1 723 . 6 1 1 A 68 68 ASP C C 68 177.827 178.282 -0.455 1
1 724 . 6 1 1 A 68 68 ASP CA C 68 57.170 57.375 -0.205 1
1 725 . 6 1 1 A 68 68 ASP CB C 68 41.380 41.792 -0.412 1
1 726 . 6 1 1 A 68 68 ASP N N 68 119.720 121.542 -1.822 1
1 727 . 6 1 1 A 69 69 LEU H H 69 7.153 7.535 -0.382 1
1 728 . 6 1 1 A 69 69 LEU HA H 69 2.561 3.160 -0.599 1
1 738 . 6 1 1 A 69 69 LEU C C 69 177.830 178.411 -0.581 1
1 739 . 6 1 1 A 69 69 LEU CA C 69 58.843 57.996 0.847 1
1 740 . 6 1 1 A 69 69 LEU CB C 69 42.203 41.567 0.636 1
1 744 . 6 1 1 A 69 69 LEU N N 69 122.181 120.535 1.646 1
1 745 . 6 1 1 A 70 70 VAL H H 70 8.167 8.202 -0.035 1
1 746 . 6 1 1 A 70 70 VAL HA H 70 3.509 3.562 -0.053 1
1 754 . 6 1 1 A 70 70 VAL C C 70 177.695 178.308 -0.613 1
1 755 . 6 1 1 A 70 70 VAL CA C 70 65.582 67.233 -1.651 1
1 756 . 6 1 1 A 70 70 VAL CB C 70 31.409 31.333 0.076 1
1 759 . 6 1 1 A 70 70 VAL N N 70 116.117 119.290 -3.173 1
1 760 . 6 1 1 A 71 71 LYS H H 71 7.665 8.152 -0.487 1
1 761 . 6 1 1 A 71 71 LYS HA H 71 3.854 4.140 -0.286 1
1 770 . 6 1 1 A 71 71 LYS C C 71 177.406 178.628 -1.222 1
1 771 . 6 1 1 A 71 71 LYS CA C 71 59.175 58.783 0.392 1
1 772 . 6 1 1 A 71 71 LYS CB C 71 32.804 31.379 1.425 1
1 776 . 6 1 1 A 71 71 LYS N N 71 116.326 119.771 -3.445 1
1 777 . 6 1 1 A 72 72 ALA H H 72 7.506 7.325 0.181 1
1 778 . 6 1 1 A 72 72 ALA HA H 72 4.391 4.287 0.104 1
1 782 . 6 1 1 A 72 72 ALA C C 72 180.756 178.405 2.351 1
1 783 . 6 1 1 A 72 72 ALA CA C 72 53.691 54.330 -0.639 1
1 784 . 6 1 1 A 72 72 ALA CB C 72 20.243 18.545 1.698 1
1 785 . 6 1 1 A 72 72 ALA N N 72 118.313 121.221 -2.908 1
1 786 . 6 1 1 A 73 73 ARG H H 73 7.603 7.471 0.132 1
1 787 . 6 1 1 A 73 73 ARG HA H 73 4.872 4.498 0.374 1
1 795 . 6 1 1 A 73 73 ARG C C 73 177.558 176.648 0.910 1
1 796 . 6 1 1 A 73 73 ARG CA C 73 51.230 54.570 -3.340 1
1 797 . 6 1 1 A 73 73 ARG CB C 73 25.568 28.001 -2.433 1
1 800 . 6 1 1 A 73 73 ARG N N 73 118.690 117.217 1.473 1
1 802 . 6 1 1 A 74 74 THR H H 74 8.261 7.751 0.510 1
1 803 . 6 1 1 A 74 74 THR HA H 74 4.552 4.303 0.249 1
1 808 . 6 1 1 A 74 74 THR C C 74 174.706 176.349 -1.643 1
1 809 . 6 1 1 A 74 74 THR CA C 74 62.876 64.327 -1.451 1
1 810 . 6 1 1 A 74 74 THR CB C 74 68.716 68.650 0.066 1
1 812 . 6 1 1 A 74 74 THR N N 74 115.950 113.823 2.127 1
1 813 . 6 1 1 A 75 75 ASP H H 75 9.542 8.114 1.428 1
1 814 . 6 1 1 A 75 75 ASP HA H 75 4.310 4.301 0.009 1
1 817 . 6 1 1 A 75 75 ASP C C 75 175.958 177.625 -1.667 1
1 818 . 6 1 1 A 75 75 ASP CA C 75 54.476 57.499 -3.023 1
1 819 . 6 1 1 A 75 75 ASP CB C 75 38.969 41.122 -2.153 1
1 820 . 6 1 1 A 75 75 ASP N N 75 116.582 122.576 -5.994 1
1 821 . 6 1 1 A 76 76 LEU H H 76 7.078 7.294 -0.216 1
1 822 . 6 1 1 A 76 76 LEU HA H 76 4.225 3.994 0.231 1
1 832 . 6 1 1 A 76 76 LEU C C 76 177.244 176.214 1.030 1
1 833 . 6 1 1 A 76 76 LEU CA C 76 55.349 55.945 -0.596 1
1 834 . 6 1 1 A 76 76 LEU CB C 76 43.508 43.082 0.426 1
1 838 . 6 1 1 A 76 76 LEU N N 76 117.639 117.917 -0.278 1
1 839 . 6 1 1 A 77 77 PHE H H 77 7.977 7.456 0.521 1
1 840 . 6 1 1 A 77 77 PHE HA H 77 5.648 5.194 0.454 1
1 848 . 6 1 1 A 77 77 PHE C C 77 175.868 174.383 1.485 1
1 849 . 6 1 1 A 77 77 PHE CA C 77 54.878 56.171 -1.293 1
1 850 . 6 1 1 A 77 77 PHE CB C 77 42.833 42.390 0.443 1
1 856 . 6 1 1 A 77 77 PHE N N 77 115.989 114.952 1.037 1
1 857 . 6 1 1 A 78 78 VAL H H 78 8.863 8.957 -0.094 1
1 858 . 6 1 1 A 78 78 VAL HA H 78 4.425 4.598 -0.173 1
1 866 . 6 1 1 A 78 78 VAL C C 78 175.288 175.315 -0.027 1
1 867 . 6 1 1 A 78 78 VAL CA C 78 61.575 61.445 0.130 1
1 868 . 6 1 1 A 78 78 VAL CB C 78 33.988 33.285 0.703 1
1 871 . 6 1 1 A 78 78 VAL N N 78 123.339 121.806 1.533 1
1 872 . 6 1 1 A 79 79 THR H H 79 8.305 9.049 -0.744 1
1 873 . 6 1 1 A 79 79 THR HA H 79 5.882 5.549 0.333 1
1 878 . 6 1 1 A 79 79 THR C C 79 174.566 173.884 0.682 1
1 879 . 6 1 1 A 79 79 THR CA C 79 59.476 60.467 -0.991 1
1 880 . 6 1 1 A 79 79 THR CB C 79 73.090 70.685 2.405 1
1 882 . 6 1 1 A 79 79 THR N N 79 113.057 119.445 -6.388 1
1 883 . 6 1 1 A 80 80 GLU H H 80 8.962 8.502 0.460 1
1 884 . 6 1 1 A 80 80 GLU HA H 80 4.589 4.902 -0.313 1
1 889 . 6 1 1 A 80 80 GLU C C 80 174.040 175.825 -1.785 1
1 890 . 6 1 1 A 80 80 GLU CA C 80 55.878 55.128 0.750 1
1 891 . 6 1 1 A 80 80 GLU CB C 80 33.399 34.098 -0.699 1
1 893 . 6 1 1 A 80 80 GLU N N 80 117.934 122.887 -4.953 1
1 894 . 6 1 1 A 81 81 GLU H H 81 8.687 8.703 -0.016 1
1 895 . 6 1 1 A 81 81 GLU HA H 81 5.213 4.735 0.478 1
1 900 . 6 1 1 A 81 81 GLU C C 81 176.406 175.424 0.982 1
1 901 . 6 1 1 A 81 81 GLU CA C 81 55.186 56.164 -0.978 1
1 902 . 6 1 1 A 81 81 GLU CB C 81 31.544 30.549 0.995 1
1 904 . 6 1 1 A 81 81 GLU N N 81 122.400 122.417 -0.017 1
1 905 . 6 1 1 A 82 82 ARG H H 82 9.118 9.050 0.068 1
1 906 . 6 1 1 A 82 82 ARG HA H 82 4.635 4.623 0.012 1
1 914 . 6 1 1 A 82 82 ARG C C 82 175.222 174.827 0.395 1
1 915 . 6 1 1 A 82 82 ARG CA C 82 54.746 54.258 0.488 1
1 916 . 6 1 1 A 82 82 ARG CB C 82 33.719 33.279 0.440 1
1 919 . 6 1 1 A 82 82 ARG N N 82 121.851 124.249 -2.398 1
1 921 . 6 1 1 A 83 83 GLN H H 83 8.642 8.594 0.048 1
1 922 . 6 1 1 A 83 83 GLN HA H 83 4.340 4.556 -0.216 1
1 927 . 6 1 1 A 83 83 GLN C C 83 175.705 175.543 0.162 1
1 928 . 6 1 1 A 83 83 GLN CA C 83 56.094 55.821 0.273 1
1 929 . 6 1 1 A 83 83 GLN CB C 83 29.424 29.887 -0.463 1
1 931 . 6 1 1 A 83 83 GLN N N 83 121.976 123.748 -1.772 1
1 932 . 6 1 1 A 84 84 VAL H H 84 8.818 8.271 0.547 1
1 933 . 6 1 1 A 84 84 VAL HA H 84 4.399 4.488 -0.089 1
1 941 . 6 1 1 A 84 84 VAL C C 84 174.439 174.778 -0.339 1
1 942 . 6 1 1 A 84 84 VAL CA C 84 59.977 59.480 0.497 1
1 943 . 6 1 1 A 84 84 VAL CB C 84 32.948 32.129 0.819 1
1 946 . 6 1 1 A 84 84 VAL N N 84 128.548 126.245 2.303 1
1 947 . 6 1 1 A 85 85 PRO HA H 85 4.313 4.262 0.051 1
1 954 . 6 1 1 A 85 85 PRO C C 85 178.026 177.357 0.669 1
1 955 . 6 1 1 A 85 85 PRO CA C 85 64.139 63.863 0.276 1
1 956 . 6 1 1 A 85 85 PRO CB C 85 31.744 31.392 0.352 1
1 959 . 6 1 1 A 86 86 GLY H H 86 8.815 8.760 0.055 1
1 960 . 6 1 1 A 86 86 GLY HA2 H 86 3.751 3.898 -0.147 1
1 961 . 6 1 1 A 86 86 GLY HA3 H 86 4.148 3.900 0.248 1
1 962 . 6 1 1 A 86 86 GLY C C 86 173.673 173.978 -0.305 1
1 963 . 6 1 1 A 86 86 GLY CA C 86 45.661 45.231 0.430 1
1 964 . 6 1 1 A 86 86 GLY N N 86 111.839 113.210 -1.371 1
1 965 . 6 1 1 A 87 87 SER H H 87 8.029 7.614 0.415 1
1 966 . 6 1 1 A 87 87 SER HA H 87 4.955 4.759 0.196 1
1 969 . 6 1 1 A 87 87 SER C C 87 174.293 173.946 0.347 1
1 970 . 6 1 1 A 87 87 SER CA C 87 56.119 57.882 -1.763 1
1 971 . 6 1 1 A 87 87 SER CB C 87 65.288 65.157 0.131 1
1 972 . 6 1 1 A 87 87 SER N N 87 114.255 116.564 -2.309 1
1 973 . 6 1 1 A 88 88 THR H H 88 8.366 8.548 -0.182 1
1 974 . 6 1 1 A 88 88 THR HA H 88 4.438 4.315 0.123 1
1 979 . 6 1 1 A 88 88 THR C C 88 175.360 174.357 1.003 1
1 980 . 6 1 1 A 88 88 THR CA C 88 62.103 63.723 -1.620 1
1 981 . 6 1 1 A 88 88 THR CB C 88 69.017 69.728 -0.711 1
1 983 . 6 1 1 A 88 88 THR N N 88 112.921 118.456 -5.535 1
1 984 . 6 1 1 A 89 89 GLN H H 89 8.342 7.556 0.786 1
1 985 . 6 1 1 A 89 89 GLN HA H 89 4.382 4.403 -0.021 1
1 990 . 6 1 1 A 89 89 GLN C C 89 175.462 175.585 -0.123 1
1 991 . 6 1 1 A 89 89 GLN CA C 89 55.599 55.383 0.216 1
1 992 . 6 1 1 A 89 89 GLN CB C 89 30.016 30.175 -0.159 1
1 994 . 6 1 1 A 89 89 GLN N N 89 122.086 117.480 4.606 1
1 995 . 6 1 1 A 90 90 LYS H H 90 8.584 8.763 -0.179 1
1 996 . 6 1 1 A 90 90 LYS HA H 90 4.779 4.989 -0.210 1
1 1005 . 6 1 1 A 90 90 LYS C C 90 175.897 175.383 0.514 1
1 1006 . 6 1 1 A 90 90 LYS CA C 90 55.590 55.218 0.372 1
1 1007 . 6 1 1 A 90 90 LYS CB C 90 34.742 34.724 0.018 1
1 1011 . 6 1 1 A 90 90 LYS N N 90 121.945 119.117 2.828 1
1 1012 . 6 1 1 A 91 91 ALA H H 91 8.975 9.396 -0.421 1
1 1013 . 6 1 1 A 91 91 ALA HA H 91 4.738 5.238 -0.500 1
1 1017 . 6 1 1 A 91 91 ALA C C 91 175.585 175.402 0.183 1
1 1018 . 6 1 1 A 91 91 ALA CA C 91 50.741 50.146 0.595 1
1 1019 . 6 1 1 A 91 91 ALA CB C 91 22.890 22.346 0.544 1
1 1020 . 6 1 1 A 91 91 ALA N N 91 124.604 123.766 0.838 1
1 1021 . 6 1 1 A 92 92 LEU H H 92 8.523 8.489 0.034 1
1 1022 . 6 1 1 A 92 92 LEU HA H 92 4.707 4.826 -0.119 1
1 1032 . 6 1 1 A 92 92 LEU C C 92 174.752 174.208 0.544 1
1 1033 . 6 1 1 A 92 92 LEU CA C 92 55.285 53.766 1.519 1
1 1034 . 6 1 1 A 92 92 LEU CB C 92 43.267 43.206 0.061 1
1 1038 . 6 1 1 A 92 92 LEU N N 92 123.888 123.617 0.271 1
1 1039 . 6 1 1 A 93 93 TYR H H 93 9.289 8.785 0.504 1
1 1040 . 6 1 1 A 93 93 TYR HA H 93 5.269 5.202 0.067 1
1 1047 . 6 1 1 A 93 93 TYR C C 93 174.528 175.844 -1.316 1
1 1048 . 6 1 1 A 93 93 TYR CA C 93 56.505 56.911 -0.406 1
1 1049 . 6 1 1 A 93 93 TYR CB C 93 41.881 40.993 0.888 1
1 1054 . 6 1 1 A 93 93 TYR N N 93 126.872 127.741 -0.869 1
1 1055 . 6 1 1 A 94 94 LEU H H 94 9.551 9.226 0.325 1
1 1056 . 6 1 1 A 94 94 LEU HA H 94 5.869 5.397 0.472 1
1 1066 . 6 1 1 A 94 94 LEU C C 94 173.433 174.997 -1.564 1
1 1067 . 6 1 1 A 94 94 LEU CA C 94 54.131 53.416 0.715 1
1 1068 . 6 1 1 A 94 94 LEU CB C 94 46.320 45.581 0.739 1
1 1072 . 6 1 1 A 94 94 LEU N N 94 117.884 122.965 -5.081 1
1 1073 . 6 1 1 A 95 95 ARG H H 95 8.603 8.747 -0.144 1
1 1074 . 6 1 1 A 95 95 ARG HA H 95 4.707 4.818 -0.111 1
1 1082 . 6 1 1 A 95 95 ARG C C 95 174.605 174.562 0.043 1
1 1083 . 6 1 1 A 95 95 ARG CA C 95 53.795 53.795 0.000 1
1 1084 . 6 1 1 A 95 95 ARG CB C 95 33.468 33.567 -0.099 1
1 1087 . 6 1 1 A 95 95 ARG N N 95 116.939 120.835 -3.896 1
1 1089 . 6 1 1 A 96 96 ALA H H 96 9.072 8.548 0.524 1
1 1090 . 6 1 1 A 96 96 ALA HA H 96 4.404 4.409 -0.005 1
1 1094 . 6 1 1 A 96 96 ALA C C 96 177.811 176.932 0.879 1
1 1095 . 6 1 1 A 96 96 ALA CA C 96 52.324 52.321 0.003 1
1 1096 . 6 1 1 A 96 96 ALA CB C 96 18.248 19.226 -0.978 1
1 1097 . 6 1 1 A 96 96 ALA N N 96 124.914 124.177 0.737 1
1 1098 . 6 1 1 A 97 97 LYS H H 97 7.989 8.084 -0.095 1
1 1099 . 6 1 1 A 97 97 LYS HA H 97 3.922 4.501 -0.579 1
1 1108 . 6 1 1 A 97 97 LYS C C 97 175.978 174.907 1.071 1
1 1109 . 6 1 1 A 97 97 LYS CA C 97 56.915 56.189 0.726 1
1 1110 . 6 1 1 A 97 97 LYS CB C 97 32.864 32.924 -0.060 1
1 1114 . 6 1 1 A 97 97 LYS N N 97 123.129 123.584 -0.455 1
1 1115 . 6 1 1 A 98 98 LEU H H 98 8.118 8.878 -0.760 1
1 1116 . 6 1 1 A 98 98 LEU HA H 98 4.321 4.849 -0.528 1
1 1126 . 6 1 1 A 98 98 LEU C C 98 176.592 175.602 0.990 1
1 1127 . 6 1 1 A 98 98 LEU CA C 98 54.627 53.926 0.701 1
1 1128 . 6 1 1 A 98 98 LEU CB C 98 42.566 43.264 -0.698 1
1 1132 . 6 1 1 A 98 98 LEU N N 98 123.816 129.884 -6.068 1
1 1133 . 6 1 1 A 99 99 GLU H H 99 8.376 8.701 -0.325 1
1 1134 . 6 1 1 A 99 99 GLU C C 99 175.790 177.164 -1.374 1
1 1 . 7 1 1 A 5 5 SER H H 5 8.350 7.724 0.626 1
1 2 . 7 1 1 A 5 5 SER N N 5 116.816 110.531 6.285 1
1 3 . 7 1 1 A 9 9 GLN H H 9 8.479 7.728 0.751 1
1 4 . 7 1 1 A 9 9 GLN N N 9 121.973 115.885 6.088 1
1 5 . 7 1 1 A 10 10 PRO HA H 10 4.392 4.701 -0.309 1
1 8 . 7 1 1 A 10 10 PRO C C 10 176.702 175.963 0.739 1
1 9 . 7 1 1 A 10 10 PRO CA C 10 63.029 62.392 0.637 1
1 10 . 7 1 1 A 10 10 PRO CB C 10 32.056 32.797 -0.741 1
1 11 . 7 1 1 A 11 11 ALA H H 11 8.421 8.355 0.066 1
1 12 . 7 1 1 A 11 11 ALA HA H 11 4.254 5.019 -0.765 1
1 16 . 7 1 1 A 11 11 ALA C C 11 177.592 176.511 1.081 1
1 17 . 7 1 1 A 11 11 ALA CA C 11 52.405 50.635 1.770 1
1 18 . 7 1 1 A 11 11 ALA CB C 11 19.242 21.989 -2.747 1
1 19 . 7 1 1 A 11 11 ALA N N 11 124.566 121.765 2.801 1
1 20 . 7 1 1 A 12 12 ALA H H 12 8.297 9.197 -0.900 1
1 21 . 7 1 1 A 12 12 ALA HA H 12 4.278 5.009 -0.731 1
1 25 . 7 1 1 A 12 12 ALA C C 12 177.607 175.577 2.030 1
1 26 . 7 1 1 A 12 12 ALA CA C 12 52.402 50.488 1.914 1
1 27 . 7 1 1 A 12 12 ALA CB C 12 19.397 23.888 -4.491 1
1 28 . 7 1 1 A 12 12 ALA N N 12 123.470 122.296 1.174 1
1 29 . 7 1 1 A 13 13 GLN H H 13 8.302 8.511 -0.209 1
1 30 . 7 1 1 A 13 13 GLN HA H 13 4.304 4.952 -0.648 1
1 33 . 7 1 1 A 13 13 GLN C C 13 175.344 174.757 0.587 1
1 34 . 7 1 1 A 13 13 GLN CA C 13 55.396 54.223 1.173 1
1 35 . 7 1 1 A 13 13 GLN CB C 13 29.738 31.994 -2.256 1
1 36 . 7 1 1 A 13 13 GLN N N 13 119.718 116.695 3.023 1
1 37 . 7 1 1 A 14 14 ALA H H 14 8.405 8.666 -0.261 1
1 38 . 7 1 1 A 14 14 ALA HA H 14 4.580 4.788 -0.208 1
1 42 . 7 1 1 A 14 14 ALA C C 14 175.619 175.984 -0.365 1
1 43 . 7 1 1 A 14 14 ALA CA C 14 50.607 50.130 0.477 1
1 44 . 7 1 1 A 14 14 ALA CB C 14 18.031 19.833 -1.802 1
1 45 . 7 1 1 A 14 14 ALA N N 14 127.291 124.576 2.715 1
1 46 . 7 1 1 A 15 15 PRO HA H 15 4.399 4.642 -0.243 1
1 49 . 7 1 1 A 15 15 PRO C C 15 177.086 176.596 0.490 1
1 50 . 7 1 1 A 15 15 PRO CA C 15 63.294 62.414 0.880 1
1 51 . 7 1 1 A 15 15 PRO CB C 15 31.988 32.402 -0.414 1
1 52 . 7 1 1 A 16 16 GLU H H 16 8.656 8.435 0.221 1
1 53 . 7 1 1 A 16 16 GLU HA H 16 4.306 4.598 -0.292 1
1 56 . 7 1 1 A 16 16 GLU C C 16 176.897 175.312 1.585 1
1 57 . 7 1 1 A 16 16 GLU CA C 16 56.771 54.939 1.832 1
1 58 . 7 1 1 A 16 16 GLU CB C 16 30.209 30.834 -0.625 1
1 59 . 7 1 1 A 16 16 GLU N N 16 120.957 118.062 2.895 1
1 60 . 7 1 1 A 17 17 THR H H 17 8.202 8.756 -0.554 1
1 61 . 7 1 1 A 17 17 THR HA H 17 4.336 4.850 -0.514 1
1 66 . 7 1 1 A 17 17 THR C C 17 174.612 172.650 1.962 1
1 67 . 7 1 1 A 17 17 THR CA C 17 61.981 61.421 0.560 1
1 68 . 7 1 1 A 17 17 THR CB C 17 69.928 70.645 -0.717 1
1 70 . 7 1 1 A 17 17 THR N N 17 115.763 114.060 1.703 1
1 71 . 7 1 1 A 18 18 LYS H H 18 8.373 9.134 -0.761 1
1 72 . 7 1 1 A 18 18 LYS HA H 18 4.365 5.013 -0.648 1
1 81 . 7 1 1 A 18 18 LYS C C 18 176.509 175.275 1.234 1
1 82 . 7 1 1 A 18 18 LYS CA C 18 56.348 54.669 1.679 1
1 83 . 7 1 1 A 18 18 LYS CB C 18 33.051 35.114 -2.063 1
1 87 . 7 1 1 A 18 18 LYS N N 18 123.975 128.400 -4.425 1
1 88 . 7 1 1 A 19 19 GLN H H 19 8.387 8.542 -0.155 1
1 89 . 7 1 1 A 19 19 GLN HA H 19 4.378 4.704 -0.326 1
1 96 . 7 1 1 A 19 19 GLN C C 19 175.630 175.282 0.348 1
1 97 . 7 1 1 A 19 19 GLN CA C 19 55.614 54.158 1.456 1
1 98 . 7 1 1 A 19 19 GLN CB C 19 29.749 30.445 -0.696 1
1 100 . 7 1 1 A 19 19 GLN N N 19 121.480 125.616 -4.136 1
1 102 . 7 1 1 A 20 20 ALA H H 20 8.505 8.821 -0.316 1
1 103 . 7 1 1 A 20 20 ALA HA H 20 4.449 5.024 -0.575 1
1 107 . 7 1 1 A 20 20 ALA C C 20 177.361 176.383 0.978 1
1 108 . 7 1 1 A 20 20 ALA CA C 20 52.165 50.719 1.446 1
1 109 . 7 1 1 A 20 20 ALA CB C 20 19.253 21.341 -2.088 1
1 110 . 7 1 1 A 20 20 ALA N N 20 125.974 123.007 2.967 1
1 111 . 7 1 1 A 21 21 PHE H H 21 8.851 8.824 0.027 1
1 112 . 7 1 1 A 21 21 PHE HA H 21 4.422 5.063 -0.641 1
1 120 . 7 1 1 A 21 21 PHE C C 21 176.063 174.339 1.724 1
1 121 . 7 1 1 A 21 21 PHE CA C 21 56.142 55.643 0.499 1
1 122 . 7 1 1 A 21 21 PHE CB C 21 39.867 39.887 -0.020 1
1 128 . 7 1 1 A 21 21 PHE N N 21 124.486 119.000 5.486 1
1 129 . 7 1 1 A 22 22 PRO HA H 22 4.856 4.929 -0.073 1
1 136 . 7 1 1 A 22 22 PRO C C 22 174.848 177.299 -2.451 1
1 137 . 7 1 1 A 22 22 PRO CA C 22 62.078 62.255 -0.177 1
1 138 . 7 1 1 A 22 22 PRO CB C 22 28.563 30.487 -1.924 1
1 141 . 7 1 1 A 23 23 ARG H H 23 8.356 8.621 -0.265 1
1 142 . 7 1 1 A 23 23 ARG HA H 23 3.650 4.046 -0.396 1
1 149 . 7 1 1 A 23 23 ARG C C 23 176.762 178.315 -1.553 1
1 150 . 7 1 1 A 23 23 ARG CA C 23 60.448 58.926 1.522 1
1 151 . 7 1 1 A 23 23 ARG CB C 23 31.422 29.544 1.878 1
1 154 . 7 1 1 A 23 23 ARG N N 23 126.815 121.606 5.209 1
1 155 . 7 1 1 A 24 24 LYS H H 24 8.555 8.068 0.487 1
1 156 . 7 1 1 A 24 24 LYS HA H 24 3.926 4.011 -0.085 1
1 165 . 7 1 1 A 24 24 LYS C C 24 179.506 178.034 1.472 1
1 166 . 7 1 1 A 24 24 LYS CA C 24 59.888 58.591 1.297 1
1 167 . 7 1 1 A 24 24 LYS CB C 24 31.782 32.268 -0.486 1
1 171 . 7 1 1 A 24 24 LYS N N 24 116.573 118.999 -2.426 1
1 172 . 7 1 1 A 25 25 PHE H H 25 7.575 7.633 -0.058 1
1 173 . 7 1 1 A 25 25 PHE HA H 25 4.487 4.450 0.037 1
1 181 . 7 1 1 A 25 25 PHE C C 25 177.447 177.969 -0.522 1
1 182 . 7 1 1 A 25 25 PHE CA C 25 59.779 60.316 -0.537 1
1 183 . 7 1 1 A 25 25 PHE CB C 25 38.791 39.841 -1.050 1
1 189 . 7 1 1 A 25 25 PHE N N 25 118.123 117.624 0.499 1
1 190 . 7 1 1 A 26 26 VAL H H 26 8.024 8.340 -0.316 1
1 191 . 7 1 1 A 26 26 VAL HA H 26 3.608 3.696 -0.088 1
1 199 . 7 1 1 A 26 26 VAL C C 26 177.770 178.113 -0.343 1
1 200 . 7 1 1 A 26 26 VAL CA C 26 66.473 66.882 -0.409 1
1 201 . 7 1 1 A 26 26 VAL CB C 26 31.408 31.346 0.062 1
1 204 . 7 1 1 A 26 26 VAL N N 26 117.081 119.622 -2.541 1
1 205 . 7 1 1 A 27 27 LEU H H 27 8.220 8.658 -0.438 1
1 206 . 7 1 1 A 27 27 LEU HA H 27 4.234 4.386 -0.152 1
1 216 . 7 1 1 A 27 27 LEU C C 27 180.010 179.845 0.165 1
1 217 . 7 1 1 A 27 27 LEU CA C 27 57.864 57.232 0.632 1
1 218 . 7 1 1 A 27 27 LEU CB C 27 40.488 40.609 -0.121 1
1 222 . 7 1 1 A 27 27 LEU N N 27 118.748 117.990 0.758 1
1 223 . 7 1 1 A 28 28 ALA H H 28 8.014 8.329 -0.315 1
1 224 . 7 1 1 A 28 28 ALA HA H 28 4.289 4.195 0.094 1
1 228 . 7 1 1 A 28 28 ALA C C 28 179.951 180.251 -0.300 1
1 229 . 7 1 1 A 28 28 ALA CA C 28 55.110 54.993 0.117 1
1 230 . 7 1 1 A 28 28 ALA CB C 28 17.970 18.225 -0.255 1
1 231 . 7 1 1 A 28 28 ALA N N 28 124.088 122.661 1.427 1
1 232 . 7 1 1 A 29 29 ALA H H 29 8.259 7.795 0.464 1
1 233 . 7 1 1 A 29 29 ALA HA H 29 3.942 4.343 -0.401 1
1 237 . 7 1 1 A 29 29 ALA C C 29 180.505 180.380 0.125 1
1 238 . 7 1 1 A 29 29 ALA CA C 29 54.976 55.184 -0.208 1
1 239 . 7 1 1 A 29 29 ALA CB C 29 17.923 18.203 -0.280 1
1 240 . 7 1 1 A 29 29 ALA N N 29 120.431 120.987 -0.556 1
1 241 . 7 1 1 A 30 30 LEU H H 30 8.098 8.187 -0.089 1
1 242 . 7 1 1 A 30 30 LEU HA H 30 4.007 4.350 -0.343 1
1 252 . 7 1 1 A 30 30 LEU C C 30 178.315 178.264 0.051 1
1 253 . 7 1 1 A 30 30 LEU CA C 30 58.096 58.395 -0.299 1
1 254 . 7 1 1 A 30 30 LEU CB C 30 41.486 41.705 -0.219 1
1 258 . 7 1 1 A 30 30 LEU N N 30 120.849 120.485 0.364 1
1 259 . 7 1 1 A 31 31 GLU H H 31 8.115 8.923 -0.808 1
1 260 . 7 1 1 A 31 31 GLU HA H 31 3.967 4.033 -0.066 1
1 265 . 7 1 1 A 31 31 GLU C C 31 179.473 177.599 1.874 1
1 266 . 7 1 1 A 31 31 GLU CA C 31 59.683 58.920 0.763 1
1 267 . 7 1 1 A 31 31 GLU CB C 31 29.402 28.954 0.448 1
1 269 . 7 1 1 A 31 31 GLU N N 31 120.752 117.220 3.532 1
1 270 . 7 1 1 A 32 32 GLN H H 32 7.812 8.165 -0.353 1
1 271 . 7 1 1 A 32 32 GLN HA H 32 4.001 4.020 -0.019 1
1 278 . 7 1 1 A 32 32 GLN C C 32 176.519 176.286 0.233 1
1 279 . 7 1 1 A 32 32 GLN CA C 32 57.576 57.350 0.226 1
1 280 . 7 1 1 A 32 32 GLN CB C 32 29.108 28.258 0.850 1
1 282 . 7 1 1 A 32 32 GLN N N 32 114.711 117.753 -3.042 1
1 284 . 7 1 1 A 33 33 SER H H 33 7.460 7.828 -0.368 1
1 285 . 7 1 1 A 33 33 SER HA H 33 4.257 4.515 -0.258 1
1 288 . 7 1 1 A 33 33 SER C C 33 174.508 174.140 0.368 1
1 289 . 7 1 1 A 33 33 SER CA C 33 58.504 58.611 -0.107 1
1 290 . 7 1 1 A 33 33 SER CB C 33 65.131 64.366 0.765 1
1 291 . 7 1 1 A 33 33 SER N N 33 110.604 114.971 -4.367 1
1 292 . 7 1 1 A 34 34 SER H H 34 7.429 7.753 -0.324 1
1 293 . 7 1 1 A 34 34 SER HA H 34 4.468 4.462 0.006 1
1 296 . 7 1 1 A 34 34 SER C C 34 174.588 174.376 0.212 1
1 297 . 7 1 1 A 34 34 SER CA C 34 58.556 59.454 -0.898 1
1 298 . 7 1 1 A 34 34 SER CB C 34 65.278 63.741 1.537 1
1 299 . 7 1 1 A 34 34 SER N N 34 117.544 117.238 0.306 1
1 300 . 7 1 1 A 35 35 ASP H H 35 8.822 8.978 -0.156 1
1 301 . 7 1 1 A 35 35 ASP HA H 35 4.778 4.897 -0.119 1
1 304 . 7 1 1 A 35 35 ASP C C 35 178.268 177.551 0.717 1
1 305 . 7 1 1 A 35 35 ASP CA C 35 52.849 53.811 -0.962 1
1 306 . 7 1 1 A 35 35 ASP CB C 35 41.314 42.111 -0.797 1
1 307 . 7 1 1 A 35 35 ASP N N 35 121.575 123.783 -2.208 1
1 308 . 7 1 1 A 36 36 ASP H H 36 8.483 8.925 -0.442 1
1 309 . 7 1 1 A 36 36 ASP HA H 36 4.414 4.269 0.145 1
1 312 . 7 1 1 A 36 36 ASP C C 36 176.670 177.244 -0.574 1
1 313 . 7 1 1 A 36 36 ASP CA C 36 56.605 57.444 -0.839 1
1 314 . 7 1 1 A 36 36 ASP CB C 36 40.286 40.403 -0.117 1
1 315 . 7 1 1 A 36 36 ASP N N 36 117.398 122.478 -5.080 1
1 316 . 7 1 1 A 37 37 ALA H H 37 8.242 7.550 0.692 1
1 317 . 7 1 1 A 37 37 ALA HA H 37 4.532 4.357 0.175 1
1 321 . 7 1 1 A 37 37 ALA C C 37 177.407 177.882 -0.475 1
1 322 . 7 1 1 A 37 37 ALA CA C 37 51.677 51.940 -0.263 1
1 323 . 7 1 1 A 37 37 ALA CB C 37 19.774 19.468 0.306 1
1 324 . 7 1 1 A 37 37 ALA N N 37 122.052 118.146 3.906 1
1 325 . 7 1 1 A 38 38 GLY H H 38 8.155 8.154 0.001 1
1 326 . 7 1 1 A 38 38 GLY HA2 H 38 3.624 3.727 -0.103 1
1 327 . 7 1 1 A 38 38 GLY HA3 H 38 4.080 3.839 0.241 1
1 328 . 7 1 1 A 38 38 GLY C C 38 173.417 173.989 -0.572 1
1 329 . 7 1 1 A 38 38 GLY CA C 38 45.093 45.139 -0.046 1
1 330 . 7 1 1 A 38 38 GLY N N 38 107.721 106.415 1.306 1
1 331 . 7 1 1 A 39 39 TRP H H 39 8.449 7.887 0.562 1
1 332 . 7 1 1 A 39 39 TRP HA H 39 5.054 4.655 0.399 1
1 341 . 7 1 1 A 39 39 TRP C C 39 176.577 176.293 0.284 1
1 342 . 7 1 1 A 39 39 TRP CA C 39 56.596 58.154 -1.558 1
1 343 . 7 1 1 A 39 39 TRP CB C 39 32.184 29.678 2.506 1
1 349 . 7 1 1 A 39 39 TRP N N 39 119.797 121.044 -1.247 1
1 351 . 7 1 1 A 40 40 ALA H H 40 9.855 9.269 0.586 1
1 352 . 7 1 1 A 40 40 ALA HA H 40 5.099 5.299 -0.200 1
1 356 . 7 1 1 A 40 40 ALA C C 40 176.165 176.559 -0.394 1
1 357 . 7 1 1 A 40 40 ALA CA C 40 50.202 50.497 -0.295 1
1 358 . 7 1 1 A 40 40 ALA CB C 40 23.153 21.052 2.101 1
1 359 . 7 1 1 A 40 40 ALA N N 40 124.618 126.687 -2.069 1
1 360 . 7 1 1 A 41 41 ASN H H 41 8.794 8.611 0.183 1
1 361 . 7 1 1 A 41 41 ASN HA H 41 3.771 4.144 -0.373 1
1 366 . 7 1 1 A 41 41 ASN C C 41 175.824 176.304 -0.480 1
1 367 . 7 1 1 A 41 41 ASN CA C 41 52.724 53.309 -0.585 1
1 368 . 7 1 1 A 41 41 ASN CB C 41 39.927 39.779 0.148 1
1 369 . 7 1 1 A 41 41 ASN N N 41 121.050 121.256 -0.206 1
1 371 . 7 1 1 A 42 42 LEU H H 42 8.493 8.611 -0.118 1
1 372 . 7 1 1 A 42 42 LEU HA H 42 3.834 4.047 -0.213 1
1 382 . 7 1 1 A 42 42 LEU C C 42 178.256 179.199 -0.943 1
1 383 . 7 1 1 A 42 42 LEU CA C 42 58.859 58.345 0.514 1
1 384 . 7 1 1 A 42 42 LEU CB C 42 42.233 41.895 0.338 1
1 388 . 7 1 1 A 42 42 LEU N N 42 126.418 129.118 -2.700 1
1 389 . 7 1 1 A 43 43 GLY H H 43 8.440 8.189 0.251 1
1 390 . 7 1 1 A 43 43 GLY HA2 H 43 3.912 3.771 0.141 1
1 391 . 7 1 1 A 43 43 GLY HA3 H 43 3.822 3.790 0.032 1
1 392 . 7 1 1 A 43 43 GLY C C 43 176.344 176.545 -0.201 1
1 393 . 7 1 1 A 43 43 GLY CA C 43 47.070 47.381 -0.311 1
1 394 . 7 1 1 A 43 43 GLY N N 43 106.800 106.581 0.219 1
1 395 . 7 1 1 A 44 44 ASN H H 44 7.916 7.818 0.098 1
1 396 . 7 1 1 A 44 44 ASN HA H 44 4.472 4.514 -0.042 1
1 401 . 7 1 1 A 44 44 ASN C C 44 177.888 177.800 0.088 1
1 402 . 7 1 1 A 44 44 ASN CA C 44 56.004 55.927 0.077 1
1 403 . 7 1 1 A 44 44 ASN CB C 44 38.316 38.383 -0.067 1
1 404 . 7 1 1 A 44 44 ASN N N 44 121.472 120.451 1.021 1
1 406 . 7 1 1 A 45 45 PHE H H 45 8.563 8.320 0.243 1
1 407 . 7 1 1 A 45 45 PHE HA H 45 4.498 4.279 0.219 1
1 415 . 7 1 1 A 45 45 PHE C C 45 176.732 178.001 -1.269 1
1 416 . 7 1 1 A 45 45 PHE CA C 45 60.350 60.489 -0.139 1
1 417 . 7 1 1 A 45 45 PHE CB C 45 38.824 39.175 -0.351 1
1 423 . 7 1 1 A 45 45 PHE N N 45 121.835 122.453 -0.618 1
1 424 . 7 1 1 A 46 46 GLY H H 46 8.933 8.857 0.076 1
1 425 . 7 1 1 A 46 46 GLY HA2 H 46 3.820 3.532 0.288 1
1 426 . 7 1 1 A 46 46 GLY HA3 H 46 3.186 3.716 -0.530 1
1 427 . 7 1 1 A 46 46 GLY C C 46 176.053 175.678 0.375 1
1 428 . 7 1 1 A 46 46 GLY CA C 46 47.171 47.035 0.136 1
1 429 . 7 1 1 A 46 46 GLY N N 46 106.269 106.589 -0.320 1
1 430 . 7 1 1 A 47 47 ASN H H 47 7.812 7.750 0.062 1
1 431 . 7 1 1 A 47 47 ASN HA H 47 4.470 4.452 0.018 1
1 436 . 7 1 1 A 47 47 ASN C C 47 178.087 177.147 0.940 1
1 437 . 7 1 1 A 47 47 ASN CA C 47 55.974 55.999 -0.025 1
1 438 . 7 1 1 A 47 47 ASN CB C 47 38.149 38.855 -0.706 1
1 439 . 7 1 1 A 47 47 ASN N N 47 120.030 120.090 -0.060 1
1 441 . 7 1 1 A 48 48 TYR H H 48 8.093 8.133 -0.040 1
1 442 . 7 1 1 A 48 48 TYR HA H 48 4.007 4.209 -0.202 1
1 449 . 7 1 1 A 48 48 TYR C C 48 178.310 177.384 0.926 1
1 450 . 7 1 1 A 48 48 TYR CA C 48 62.527 60.836 1.691 1
1 451 . 7 1 1 A 48 48 TYR CB C 48 38.254 38.834 -0.580 1
1 456 . 7 1 1 A 48 48 TYR N N 48 121.030 120.117 0.913 1
1 457 . 7 1 1 A 49 49 LEU H H 49 8.480 8.253 0.227 1
1 458 . 7 1 1 A 49 49 LEU HA H 49 3.624 3.908 -0.284 1
1 468 . 7 1 1 A 49 49 LEU C C 49 177.653 178.255 -0.602 1
1 469 . 7 1 1 A 49 49 LEU CA C 49 58.321 57.950 0.371 1
1 470 . 7 1 1 A 49 49 LEU CB C 49 41.046 41.021 0.025 1
1 474 . 7 1 1 A 49 49 LEU N N 49 121.024 121.006 0.018 1
1 475 . 7 1 1 A 50 50 ASN H H 50 7.564 7.668 -0.104 1
1 476 . 7 1 1 A 50 50 ASN HA H 50 4.493 4.579 -0.086 1
1 481 . 7 1 1 A 50 50 ASN C C 50 176.498 177.379 -0.881 1
1 482 . 7 1 1 A 50 50 ASN CA C 50 55.479 55.401 0.078 1
1 483 . 7 1 1 A 50 50 ASN CB C 50 39.302 38.866 0.436 1
1 484 . 7 1 1 A 50 50 ASN N N 50 114.582 116.086 -1.504 1
1 486 . 7 1 1 A 51 51 LYS H H 51 7.370 7.596 -0.226 1
1 487 . 7 1 1 A 51 51 LYS HA H 51 3.990 3.991 -0.001 1
1 496 . 7 1 1 A 51 51 LYS C C 51 178.403 179.311 -0.908 1
1 497 . 7 1 1 A 51 51 LYS CA C 51 58.512 59.057 -0.545 1
1 498 . 7 1 1 A 51 51 LYS CB C 51 32.245 32.510 -0.265 1
1 502 . 7 1 1 A 51 51 LYS N N 51 118.289 118.500 -0.211 1
1 503 . 7 1 1 A 52 52 LEU H H 52 7.518 7.123 0.395 1
1 504 . 7 1 1 A 52 52 LEU HA H 52 4.085 4.158 -0.073 1
1 514 . 7 1 1 A 52 52 LEU C C 52 177.924 176.645 1.279 1
1 515 . 7 1 1 A 52 52 LEU CA C 52 56.424 57.069 -0.645 1
1 516 . 7 1 1 A 52 52 LEU CB C 52 42.952 42.959 -0.007 1
1 520 . 7 1 1 A 52 52 LEU N N 52 117.841 118.705 -0.864 1
1 521 . 7 1 1 A 53 53 GLN H H 53 8.438 7.910 0.528 1
1 522 . 7 1 1 A 53 53 GLN HA H 53 4.583 4.739 -0.156 1
1 529 . 7 1 1 A 53 53 GLN C C 53 172.039 174.061 -2.022 1
1 530 . 7 1 1 A 53 53 GLN CA C 53 52.780 53.611 -0.831 1
1 531 . 7 1 1 A 53 53 GLN CB C 53 29.902 29.299 0.603 1
1 533 . 7 1 1 A 53 53 GLN N N 53 118.578 118.351 0.227 1
1 535 . 7 1 1 A 54 54 PRO HA H 54 4.718 4.459 0.259 1
1 542 . 7 1 1 A 54 54 PRO C C 54 177.295 177.353 -0.058 1
1 543 . 7 1 1 A 54 54 PRO CA C 54 64.754 64.539 0.215 1
1 544 . 7 1 1 A 54 54 PRO CB C 54 31.924 31.941 -0.017 1
1 547 . 7 1 1 A 55 55 ASP H H 55 8.349 8.398 -0.049 1
1 548 . 7 1 1 A 55 55 ASP HA H 55 4.596 4.732 -0.136 1
1 551 . 7 1 1 A 55 55 ASP C C 55 176.361 176.042 0.319 1
1 552 . 7 1 1 A 55 55 ASP CA C 55 53.467 54.712 -1.245 1
1 553 . 7 1 1 A 55 55 ASP CB C 55 40.050 40.827 -0.777 1
1 554 . 7 1 1 A 55 55 ASP N N 55 114.766 116.508 -1.742 1
1 555 . 7 1 1 A 56 56 PHE H H 56 8.187 7.690 0.497 1
1 556 . 7 1 1 A 56 56 PHE HA H 56 4.055 4.979 -0.924 1
1 564 . 7 1 1 A 56 56 PHE C C 56 175.257 173.836 1.421 1
1 565 . 7 1 1 A 56 56 PHE CA C 56 61.149 56.300 4.849 1
1 566 . 7 1 1 A 56 56 PHE CB C 56 38.680 39.477 -0.797 1
1 572 . 7 1 1 A 56 56 PHE N N 56 122.323 121.288 1.035 1
1 573 . 7 1 1 A 57 57 ASP H H 57 6.887 8.560 -1.673 1
1 574 . 7 1 1 A 57 57 ASP HA H 57 4.670 5.014 -0.344 1
1 577 . 7 1 1 A 57 57 ASP C C 57 176.308 176.435 -0.127 1
1 578 . 7 1 1 A 57 57 ASP CA C 57 52.895 52.791 0.104 1
1 579 . 7 1 1 A 57 57 ASP CB C 57 42.942 43.255 -0.313 1
1 580 . 7 1 1 A 57 57 ASP N N 57 127.342 128.168 -0.826 1
1 581 . 7 1 1 A 58 58 SER H H 58 9.284 9.033 0.251 1
1 582 . 7 1 1 A 58 58 SER HA H 58 3.991 4.159 -0.168 1
1 585 . 7 1 1 A 58 58 SER C C 58 176.248 176.712 -0.464 1
1 586 . 7 1 1 A 58 58 SER CA C 58 63.050 62.098 0.952 1
1 587 . 7 1 1 A 58 58 SER CB C 58 63.339 63.085 0.254 1
1 588 . 7 1 1 A 58 58 SER N N 58 123.478 121.189 2.289 1
1 589 . 7 1 1 A 59 59 ARG H H 59 8.639 7.658 0.981 1
1 590 . 7 1 1 A 59 59 ARG HA H 59 4.073 4.191 -0.118 1
1 597 . 7 1 1 A 59 59 ARG C C 59 180.693 178.792 1.901 1
1 598 . 7 1 1 A 59 59 ARG CA C 59 58.787 58.869 -0.082 1
1 599 . 7 1 1 A 59 59 ARG CB C 59 29.824 30.048 -0.224 1
1 602 . 7 1 1 A 59 59 ARG N N 59 123.207 122.049 1.158 1
1 603 . 7 1 1 A 60 60 LEU H H 60 7.460 7.597 -0.137 1
1 604 . 7 1 1 A 60 60 LEU HA H 60 3.841 3.947 -0.106 1
1 614 . 7 1 1 A 60 60 LEU C C 60 177.018 177.365 -0.347 1
1 615 . 7 1 1 A 60 60 LEU CA C 60 56.556 57.013 -0.457 1
1 616 . 7 1 1 A 60 60 LEU CB C 60 41.013 41.322 -0.309 1
1 620 . 7 1 1 A 60 60 LEU N N 60 120.191 118.652 1.539 1
1 621 . 7 1 1 A 61 61 TYR H H 61 7.200 7.785 -0.585 1
1 622 . 7 1 1 A 61 61 TYR HA H 61 4.781 4.695 0.086 1
1 629 . 7 1 1 A 61 61 TYR C C 61 175.303 175.716 -0.413 1
1 630 . 7 1 1 A 61 61 TYR CA C 61 56.371 57.778 -1.407 1
1 631 . 7 1 1 A 61 61 TYR CB C 61 38.825 38.792 0.033 1
1 636 . 7 1 1 A 61 61 TYR N N 61 114.720 116.591 -1.871 1
1 637 . 7 1 1 A 62 62 GLY H H 62 7.354 7.756 -0.402 1
1 638 . 7 1 1 A 62 62 GLY HA2 H 62 3.968 3.911 0.057 1
1 639 . 7 1 1 A 62 62 GLY HA3 H 62 3.552 3.944 -0.392 1
1 640 . 7 1 1 A 62 62 GLY C C 62 173.542 174.145 -0.603 1
1 641 . 7 1 1 A 62 62 GLY CA C 62 44.889 45.635 -0.746 1
1 642 . 7 1 1 A 62 62 GLY N N 62 104.100 108.883 -4.783 1
1 643 . 7 1 1 A 63 63 TYR H H 63 7.377 7.676 -0.299 1
1 644 . 7 1 1 A 63 63 TYR HA H 63 4.937 4.516 0.421 1
1 651 . 7 1 1 A 63 63 TYR C C 63 175.675 176.078 -0.403 1
1 652 . 7 1 1 A 63 63 TYR CA C 63 56.902 58.747 -1.845 1
1 653 . 7 1 1 A 63 63 TYR CB C 63 42.609 39.546 3.063 1
1 658 . 7 1 1 A 63 63 TYR N N 63 117.874 119.076 -1.202 1
1 659 . 7 1 1 A 64 64 LYS H H 64 9.403 8.919 0.484 1
1 660 . 7 1 1 A 64 64 LYS HA H 64 3.914 4.293 -0.379 1
1 669 . 7 1 1 A 64 64 LYS C C 64 176.334 176.544 -0.210 1
1 670 . 7 1 1 A 64 64 LYS CA C 64 59.534 57.610 1.924 1
1 671 . 7 1 1 A 64 64 LYS CB C 64 32.892 33.130 -0.238 1
1 675 . 7 1 1 A 64 64 LYS N N 64 123.946 123.218 0.728 1
1 676 . 7 1 1 A 65 65 LYS H H 65 7.635 7.518 0.117 1
1 677 . 7 1 1 A 65 65 LYS HA H 65 4.787 4.712 0.075 1
1 686 . 7 1 1 A 65 65 LYS C C 65 177.231 176.340 0.891 1
1 687 . 7 1 1 A 65 65 LYS CA C 65 54.089 54.814 -0.725 1
1 688 . 7 1 1 A 65 65 LYS CB C 65 35.722 35.295 0.427 1
1 692 . 7 1 1 A 65 65 LYS N N 65 112.461 115.099 -2.638 1
1 693 . 7 1 1 A 66 66 LEU H H 66 9.090 8.884 0.206 1
1 694 . 7 1 1 A 66 66 LEU HA H 66 4.240 4.266 -0.026 1
1 704 . 7 1 1 A 66 66 LEU C C 66 178.820 178.654 0.166 1
1 705 . 7 1 1 A 66 66 LEU CA C 66 58.129 58.324 -0.195 1
1 706 . 7 1 1 A 66 66 LEU CB C 66 41.476 41.295 0.181 1
1 710 . 7 1 1 A 66 66 LEU N N 66 124.584 123.184 1.400 1
1 711 . 7 1 1 A 67 67 SER H H 67 8.867 8.012 0.855 1
1 712 . 7 1 1 A 67 67 SER HA H 67 3.697 4.088 -0.391 1
1 715 . 7 1 1 A 67 67 SER C C 67 175.588 175.831 -0.243 1
1 716 . 7 1 1 A 67 67 SER CA C 67 61.518 62.367 -0.849 1
1 717 . 7 1 1 A 67 67 SER CB C 67 61.537 63.148 -1.611 1
1 718 . 7 1 1 A 67 67 SER N N 67 112.095 115.151 -3.056 1
1 719 . 7 1 1 A 68 68 ASP H H 68 6.783 7.558 -0.775 1
1 720 . 7 1 1 A 68 68 ASP HA H 68 4.356 4.490 -0.134 1
1 723 . 7 1 1 A 68 68 ASP C C 68 177.827 178.433 -0.606 1
1 724 . 7 1 1 A 68 68 ASP CA C 68 57.170 56.384 0.786 1
1 725 . 7 1 1 A 68 68 ASP CB C 68 41.380 40.893 0.487 1
1 726 . 7 1 1 A 68 68 ASP N N 68 119.720 121.849 -2.129 1
1 727 . 7 1 1 A 69 69 LEU H H 69 7.153 7.705 -0.552 1
1 728 . 7 1 1 A 69 69 LEU HA H 69 2.561 3.330 -0.769 1
1 738 . 7 1 1 A 69 69 LEU C C 69 177.830 178.388 -0.558 1
1 739 . 7 1 1 A 69 69 LEU CA C 69 58.843 58.038 0.805 1
1 740 . 7 1 1 A 69 69 LEU CB C 69 42.203 41.640 0.563 1
1 744 . 7 1 1 A 69 69 LEU N N 69 122.181 120.752 1.429 1
1 745 . 7 1 1 A 70 70 VAL H H 70 8.167 8.053 0.114 1
1 746 . 7 1 1 A 70 70 VAL HA H 70 3.509 3.584 -0.075 1
1 754 . 7 1 1 A 70 70 VAL C C 70 177.695 178.123 -0.428 1
1 755 . 7 1 1 A 70 70 VAL CA C 70 65.582 67.075 -1.493 1
1 756 . 7 1 1 A 70 70 VAL CB C 70 31.409 31.175 0.234 1
1 759 . 7 1 1 A 70 70 VAL N N 70 116.117 119.272 -3.155 1
1 760 . 7 1 1 A 71 71 LYS H H 71 7.665 8.289 -0.624 1
1 761 . 7 1 1 A 71 71 LYS HA H 71 3.854 4.114 -0.260 1
1 770 . 7 1 1 A 71 71 LYS C C 71 177.406 178.030 -0.624 1
1 771 . 7 1 1 A 71 71 LYS CA C 71 59.175 58.760 0.415 1
1 772 . 7 1 1 A 71 71 LYS CB C 71 32.804 31.723 1.081 1
1 776 . 7 1 1 A 71 71 LYS N N 71 116.326 119.761 -3.435 1
1 777 . 7 1 1 A 72 72 ALA H H 72 7.506 7.262 0.244 1
1 778 . 7 1 1 A 72 72 ALA HA H 72 4.391 4.261 0.130 1
1 782 . 7 1 1 A 72 72 ALA C C 72 180.756 177.784 2.972 1
1 783 . 7 1 1 A 72 72 ALA CA C 72 53.691 53.459 0.232 1
1 784 . 7 1 1 A 72 72 ALA CB C 72 20.243 18.986 1.257 1
1 785 . 7 1 1 A 72 72 ALA N N 72 118.313 120.685 -2.372 1
1 786 . 7 1 1 A 73 73 ARG H H 73 7.603 7.579 0.024 1
1 787 . 7 1 1 A 73 73 ARG HA H 73 4.872 4.556 0.316 1
1 795 . 7 1 1 A 73 73 ARG C C 73 177.558 176.410 1.148 1
1 796 . 7 1 1 A 73 73 ARG CA C 73 51.230 54.852 -3.622 1
1 797 . 7 1 1 A 73 73 ARG CB C 73 25.568 29.855 -4.287 1
1 800 . 7 1 1 A 73 73 ARG N N 73 118.690 117.173 1.517 1
1 802 . 7 1 1 A 74 74 THR H H 74 8.261 7.898 0.363 1
1 803 . 7 1 1 A 74 74 THR HA H 74 4.552 4.514 0.038 1
1 808 . 7 1 1 A 74 74 THR C C 74 174.706 175.855 -1.149 1
1 809 . 7 1 1 A 74 74 THR CA C 74 62.876 64.626 -1.750 1
1 810 . 7 1 1 A 74 74 THR CB C 74 68.716 68.532 0.184 1
1 812 . 7 1 1 A 74 74 THR N N 74 115.950 112.981 2.969 1
1 813 . 7 1 1 A 75 75 ASP H H 75 9.542 8.125 1.417 1
1 814 . 7 1 1 A 75 75 ASP HA H 75 4.310 4.303 0.007 1
1 817 . 7 1 1 A 75 75 ASP C C 75 175.958 177.363 -1.405 1
1 818 . 7 1 1 A 75 75 ASP CA C 75 54.476 57.315 -2.839 1
1 819 . 7 1 1 A 75 75 ASP CB C 75 38.969 41.803 -2.834 1
1 820 . 7 1 1 A 75 75 ASP N N 75 116.582 122.175 -5.593 1
1 821 . 7 1 1 A 76 76 LEU H H 76 7.078 7.502 -0.424 1
1 822 . 7 1 1 A 76 76 LEU HA H 76 4.225 4.144 0.081 1
1 832 . 7 1 1 A 76 76 LEU C C 76 177.244 176.179 1.065 1
1 833 . 7 1 1 A 76 76 LEU CA C 76 55.349 55.586 -0.237 1
1 834 . 7 1 1 A 76 76 LEU CB C 76 43.508 43.263 0.245 1
1 838 . 7 1 1 A 76 76 LEU N N 76 117.639 116.889 0.750 1
1 839 . 7 1 1 A 77 77 PHE H H 77 7.977 7.653 0.324 1
1 840 . 7 1 1 A 77 77 PHE HA H 77 5.648 5.148 0.500 1
1 848 . 7 1 1 A 77 77 PHE C C 77 175.868 174.198 1.670 1
1 849 . 7 1 1 A 77 77 PHE CA C 77 54.878 56.317 -1.439 1
1 850 . 7 1 1 A 77 77 PHE CB C 77 42.833 42.601 0.232 1
1 856 . 7 1 1 A 77 77 PHE N N 77 115.989 115.818 0.171 1
1 857 . 7 1 1 A 78 78 VAL H H 78 8.863 9.133 -0.270 1
1 858 . 7 1 1 A 78 78 VAL HA H 78 4.425 4.528 -0.103 1
1 866 . 7 1 1 A 78 78 VAL C C 78 175.288 175.415 -0.127 1
1 867 . 7 1 1 A 78 78 VAL CA C 78 61.575 61.655 -0.080 1
1 868 . 7 1 1 A 78 78 VAL CB C 78 33.988 33.011 0.977 1
1 871 . 7 1 1 A 78 78 VAL N N 78 123.339 122.965 0.374 1
1 872 . 7 1 1 A 79 79 THR H H 79 8.305 8.981 -0.676 1
1 873 . 7 1 1 A 79 79 THR HA H 79 5.882 5.532 0.350 1
1 878 . 7 1 1 A 79 79 THR C C 79 174.566 173.825 0.741 1
1 879 . 7 1 1 A 79 79 THR CA C 79 59.476 60.509 -1.033 1
1 880 . 7 1 1 A 79 79 THR CB C 79 73.090 70.648 2.442 1
1 882 . 7 1 1 A 79 79 THR N N 79 113.057 119.646 -6.589 1
1 883 . 7 1 1 A 80 80 GLU H H 80 8.962 8.451 0.511 1
1 884 . 7 1 1 A 80 80 GLU HA H 80 4.589 4.883 -0.294 1
1 889 . 7 1 1 A 80 80 GLU C C 80 174.040 175.814 -1.774 1
1 890 . 7 1 1 A 80 80 GLU CA C 80 55.878 55.126 0.752 1
1 891 . 7 1 1 A 80 80 GLU CB C 80 33.399 34.001 -0.602 1
1 893 . 7 1 1 A 80 80 GLU N N 80 117.934 122.870 -4.936 1
1 894 . 7 1 1 A 81 81 GLU H H 81 8.687 8.711 -0.024 1
1 895 . 7 1 1 A 81 81 GLU HA H 81 5.213 4.734 0.479 1
1 900 . 7 1 1 A 81 81 GLU C C 81 176.406 175.488 0.918 1
1 901 . 7 1 1 A 81 81 GLU CA C 81 55.186 56.197 -1.011 1
1 902 . 7 1 1 A 81 81 GLU CB C 81 31.544 30.479 1.065 1
1 904 . 7 1 1 A 81 81 GLU N N 81 122.400 122.637 -0.237 1
1 905 . 7 1 1 A 82 82 ARG H H 82 9.118 9.024 0.094 1
1 906 . 7 1 1 A 82 82 ARG HA H 82 4.635 4.616 0.019 1
1 914 . 7 1 1 A 82 82 ARG C C 82 175.222 174.805 0.417 1
1 915 . 7 1 1 A 82 82 ARG CA C 82 54.746 54.228 0.518 1
1 916 . 7 1 1 A 82 82 ARG CB C 82 33.719 33.215 0.504 1
1 919 . 7 1 1 A 82 82 ARG N N 82 121.851 124.037 -2.186 1
1 921 . 7 1 1 A 83 83 GLN H H 83 8.642 8.590 0.052 1
1 922 . 7 1 1 A 83 83 GLN HA H 83 4.340 4.552 -0.212 1
1 927 . 7 1 1 A 83 83 GLN C C 83 175.705 175.552 0.153 1
1 928 . 7 1 1 A 83 83 GLN CA C 83 56.094 55.841 0.253 1
1 929 . 7 1 1 A 83 83 GLN CB C 83 29.424 29.759 -0.335 1
1 931 . 7 1 1 A 83 83 GLN N N 83 121.976 123.752 -1.776 1
1 932 . 7 1 1 A 84 84 VAL H H 84 8.818 8.316 0.502 1
1 933 . 7 1 1 A 84 84 VAL HA H 84 4.399 4.455 -0.056 1
1 941 . 7 1 1 A 84 84 VAL C C 84 174.439 174.592 -0.153 1
1 942 . 7 1 1 A 84 84 VAL CA C 84 59.977 59.538 0.439 1
1 943 . 7 1 1 A 84 84 VAL CB C 84 32.948 32.070 0.878 1
1 946 . 7 1 1 A 84 84 VAL N N 84 128.548 126.338 2.210 1
1 947 . 7 1 1 A 85 85 PRO HA H 85 4.313 4.259 0.054 1
1 954 . 7 1 1 A 85 85 PRO C C 85 178.026 177.086 0.940 1
1 955 . 7 1 1 A 85 85 PRO CA C 85 64.139 64.216 -0.077 1
1 956 . 7 1 1 A 85 85 PRO CB C 85 31.744 31.432 0.312 1
1 959 . 7 1 1 A 86 86 GLY H H 86 8.815 8.750 0.065 1
1 960 . 7 1 1 A 86 86 GLY HA2 H 86 3.751 3.907 -0.156 1
1 961 . 7 1 1 A 86 86 GLY HA3 H 86 4.148 3.909 0.239 1
1 962 . 7 1 1 A 86 86 GLY C C 86 173.673 173.340 0.333 1
1 963 . 7 1 1 A 86 86 GLY CA C 86 45.661 45.378 0.283 1
1 964 . 7 1 1 A 86 86 GLY N N 86 111.839 113.316 -1.477 1
1 965 . 7 1 1 A 87 87 SER H H 87 8.029 7.824 0.205 1
1 966 . 7 1 1 A 87 87 SER HA H 87 4.955 4.871 0.084 1
1 969 . 7 1 1 A 87 87 SER C C 87 174.293 174.127 0.166 1
1 970 . 7 1 1 A 87 87 SER CA C 87 56.119 57.630 -1.511 1
1 971 . 7 1 1 A 87 87 SER CB C 87 65.288 65.740 -0.452 1
1 972 . 7 1 1 A 87 87 SER N N 87 114.255 115.315 -1.060 1
1 973 . 7 1 1 A 88 88 THR H H 88 8.366 8.316 0.050 1
1 974 . 7 1 1 A 88 88 THR HA H 88 4.438 4.306 0.132 1
1 979 . 7 1 1 A 88 88 THR C C 88 175.360 174.326 1.034 1
1 980 . 7 1 1 A 88 88 THR CA C 88 62.103 63.833 -1.730 1
1 981 . 7 1 1 A 88 88 THR CB C 88 69.017 69.383 -0.366 1
1 983 . 7 1 1 A 88 88 THR N N 88 112.921 119.343 -6.422 1
1 984 . 7 1 1 A 89 89 GLN H H 89 8.342 7.553 0.789 1
1 985 . 7 1 1 A 89 89 GLN HA H 89 4.382 4.345 0.037 1
1 990 . 7 1 1 A 89 89 GLN C C 89 175.462 175.848 -0.386 1
1 991 . 7 1 1 A 89 89 GLN CA C 89 55.599 55.700 -0.101 1
1 992 . 7 1 1 A 89 89 GLN CB C 89 30.016 29.197 0.819 1
1 994 . 7 1 1 A 89 89 GLN N N 89 122.086 118.100 3.986 1
1 995 . 7 1 1 A 90 90 LYS H H 90 8.584 8.931 -0.347 1
1 996 . 7 1 1 A 90 90 LYS HA H 90 4.779 5.127 -0.348 1
1 1005 . 7 1 1 A 90 90 LYS C C 90 175.897 174.708 1.189 1
1 1006 . 7 1 1 A 90 90 LYS CA C 90 55.590 54.456 1.134 1
1 1007 . 7 1 1 A 90 90 LYS CB C 90 34.742 36.078 -1.336 1
1 1011 . 7 1 1 A 90 90 LYS N N 90 121.945 119.910 2.035 1
1 1012 . 7 1 1 A 91 91 ALA H H 91 8.975 9.208 -0.233 1
1 1013 . 7 1 1 A 91 91 ALA HA H 91 4.738 5.266 -0.528 1
1 1017 . 7 1 1 A 91 91 ALA C C 91 175.585 174.996 0.589 1
1 1018 . 7 1 1 A 91 91 ALA CA C 91 50.741 50.141 0.600 1
1 1019 . 7 1 1 A 91 91 ALA CB C 91 22.890 22.905 -0.015 1
1 1020 . 7 1 1 A 91 91 ALA N N 91 124.604 122.126 2.478 1
1 1021 . 7 1 1 A 92 92 LEU H H 92 8.523 8.461 0.062 1
1 1022 . 7 1 1 A 92 92 LEU HA H 92 4.707 4.769 -0.062 1
1 1032 . 7 1 1 A 92 92 LEU C C 92 174.752 174.125 0.627 1
1 1033 . 7 1 1 A 92 92 LEU CA C 92 55.285 53.985 1.300 1
1 1034 . 7 1 1 A 92 92 LEU CB C 92 43.267 43.034 0.233 1
1 1038 . 7 1 1 A 92 92 LEU N N 92 123.888 124.260 -0.372 1
1 1039 . 7 1 1 A 93 93 TYR H H 93 9.289 8.837 0.452 1
1 1040 . 7 1 1 A 93 93 TYR HA H 93 5.269 5.592 -0.323 1
1 1047 . 7 1 1 A 93 93 TYR C C 93 174.528 175.731 -1.203 1
1 1048 . 7 1 1 A 93 93 TYR CA C 93 56.505 56.508 -0.003 1
1 1049 . 7 1 1 A 93 93 TYR CB C 93 41.881 41.597 0.284 1
1 1054 . 7 1 1 A 93 93 TYR N N 93 126.872 127.218 -0.346 1
1 1055 . 7 1 1 A 94 94 LEU H H 94 9.551 9.160 0.391 1
1 1056 . 7 1 1 A 94 94 LEU HA H 94 5.869 5.400 0.469 1
1 1066 . 7 1 1 A 94 94 LEU C C 94 173.433 175.053 -1.620 1
1 1067 . 7 1 1 A 94 94 LEU CA C 94 54.131 53.603 0.528 1
1 1068 . 7 1 1 A 94 94 LEU CB C 94 46.320 45.859 0.461 1
1 1072 . 7 1 1 A 94 94 LEU N N 94 117.884 122.192 -4.308 1
1 1073 . 7 1 1 A 95 95 ARG H H 95 8.603 8.765 -0.162 1
1 1074 . 7 1 1 A 95 95 ARG HA H 95 4.707 4.857 -0.150 1
1 1082 . 7 1 1 A 95 95 ARG C C 95 174.605 174.482 0.123 1
1 1083 . 7 1 1 A 95 95 ARG CA C 95 53.795 53.784 0.011 1
1 1084 . 7 1 1 A 95 95 ARG CB C 95 33.468 33.564 -0.096 1
1 1087 . 7 1 1 A 95 95 ARG N N 95 116.939 119.880 -2.941 1
1 1089 . 7 1 1 A 96 96 ALA H H 96 9.072 8.512 0.560 1
1 1090 . 7 1 1 A 96 96 ALA HA H 96 4.404 4.463 -0.059 1
1 1094 . 7 1 1 A 96 96 ALA C C 96 177.811 176.913 0.898 1
1 1095 . 7 1 1 A 96 96 ALA CA C 96 52.324 52.059 0.265 1
1 1096 . 7 1 1 A 96 96 ALA CB C 96 18.248 19.184 -0.936 1
1 1097 . 7 1 1 A 96 96 ALA N N 96 124.914 124.072 0.842 1
1 1098 . 7 1 1 A 97 97 LYS H H 97 7.989 8.139 -0.150 1
1 1099 . 7 1 1 A 97 97 LYS HA H 97 3.922 4.550 -0.628 1
1 1108 . 7 1 1 A 97 97 LYS C C 97 175.978 175.038 0.940 1
1 1109 . 7 1 1 A 97 97 LYS CA C 97 56.915 55.946 0.969 1
1 1110 . 7 1 1 A 97 97 LYS CB C 97 32.864 33.119 -0.255 1
1 1114 . 7 1 1 A 97 97 LYS N N 97 123.129 122.763 0.366 1
1 1115 . 7 1 1 A 98 98 LEU H H 98 8.118 8.754 -0.636 1
1 1116 . 7 1 1 A 98 98 LEU HA H 98 4.321 4.818 -0.497 1
1 1126 . 7 1 1 A 98 98 LEU C C 98 176.592 175.782 0.810 1
1 1127 . 7 1 1 A 98 98 LEU CA C 98 54.627 54.072 0.555 1
1 1128 . 7 1 1 A 98 98 LEU CB C 98 42.566 43.669 -1.103 1
1 1132 . 7 1 1 A 98 98 LEU N N 98 123.816 128.712 -4.896 1
1 1133 . 7 1 1 A 99 99 GLU H H 99 8.376 8.855 -0.479 1
1 1134 . 7 1 1 A 99 99 GLU C C 99 175.790 175.360 0.430 1
1 1 . 8 1 1 A 5 5 SER H H 5 8.350 8.829 -0.479 1
1 2 . 8 1 1 A 5 5 SER N N 5 116.816 118.145 -1.329 1
1 3 . 8 1 1 A 9 9 GLN H H 9 8.479 8.311 0.168 1
1 4 . 8 1 1 A 9 9 GLN N N 9 121.973 116.133 5.840 1
1 5 . 8 1 1 A 10 10 PRO HA H 10 4.392 4.479 -0.087 1
1 8 . 8 1 1 A 10 10 PRO C C 10 176.702 176.292 0.410 1
1 9 . 8 1 1 A 10 10 PRO CA C 10 63.029 62.522 0.507 1
1 10 . 8 1 1 A 10 10 PRO CB C 10 32.056 32.350 -0.294 1
1 11 . 8 1 1 A 11 11 ALA H H 11 8.421 8.311 0.110 1
1 12 . 8 1 1 A 11 11 ALA HA H 11 4.254 4.349 -0.095 1
1 16 . 8 1 1 A 11 11 ALA C C 11 177.592 177.680 -0.088 1
1 17 . 8 1 1 A 11 11 ALA CA C 11 52.405 52.298 0.107 1
1 18 . 8 1 1 A 11 11 ALA CB C 11 19.242 18.784 0.458 1
1 19 . 8 1 1 A 11 11 ALA N N 11 124.566 125.182 -0.616 1
1 20 . 8 1 1 A 12 12 ALA H H 12 8.297 8.927 -0.630 1
1 21 . 8 1 1 A 12 12 ALA HA H 12 4.278 4.942 -0.664 1
1 25 . 8 1 1 A 12 12 ALA C C 12 177.607 176.501 1.106 1
1 26 . 8 1 1 A 12 12 ALA CA C 12 52.402 50.703 1.699 1
1 27 . 8 1 1 A 12 12 ALA CB C 12 19.397 23.413 -4.016 1
1 28 . 8 1 1 A 12 12 ALA N N 12 123.470 125.697 -2.227 1
1 29 . 8 1 1 A 13 13 GLN H H 13 8.302 8.238 0.064 1
1 30 . 8 1 1 A 13 13 GLN HA H 13 4.304 4.504 -0.200 1
1 33 . 8 1 1 A 13 13 GLN C C 13 175.344 175.868 -0.524 1
1 34 . 8 1 1 A 13 13 GLN CA C 13 55.396 55.793 -0.397 1
1 35 . 8 1 1 A 13 13 GLN CB C 13 29.738 29.470 0.268 1
1 36 . 8 1 1 A 13 13 GLN N N 13 119.718 118.011 1.707 1
1 37 . 8 1 1 A 14 14 ALA H H 14 8.405 8.691 -0.286 1
1 38 . 8 1 1 A 14 14 ALA HA H 14 4.580 4.746 -0.166 1
1 42 . 8 1 1 A 14 14 ALA C C 14 175.619 175.754 -0.135 1
1 43 . 8 1 1 A 14 14 ALA CA C 14 50.607 50.119 0.488 1
1 44 . 8 1 1 A 14 14 ALA CB C 14 18.031 19.554 -1.523 1
1 45 . 8 1 1 A 14 14 ALA N N 14 127.291 123.541 3.750 1
1 46 . 8 1 1 A 15 15 PRO HA H 15 4.399 4.540 -0.141 1
1 49 . 8 1 1 A 15 15 PRO C C 15 177.086 176.809 0.277 1
1 50 . 8 1 1 A 15 15 PRO CA C 15 63.294 62.234 1.060 1
1 51 . 8 1 1 A 15 15 PRO CB C 15 31.988 32.936 -0.948 1
1 52 . 8 1 1 A 16 16 GLU H H 16 8.656 8.467 0.189 1
1 53 . 8 1 1 A 16 16 GLU HA H 16 4.306 4.299 0.007 1
1 56 . 8 1 1 A 16 16 GLU C C 16 176.897 176.221 0.676 1
1 57 . 8 1 1 A 16 16 GLU CA C 16 56.771 56.644 0.127 1
1 58 . 8 1 1 A 16 16 GLU CB C 16 30.209 29.873 0.336 1
1 59 . 8 1 1 A 16 16 GLU N N 16 120.957 120.081 0.876 1
1 60 . 8 1 1 A 17 17 THR H H 17 8.202 8.554 -0.352 1
1 61 . 8 1 1 A 17 17 THR HA H 17 4.336 4.280 0.056 1
1 66 . 8 1 1 A 17 17 THR C C 17 174.612 173.219 1.393 1
1 67 . 8 1 1 A 17 17 THR CA C 17 61.981 63.299 -1.318 1
1 68 . 8 1 1 A 17 17 THR CB C 17 69.928 68.177 1.751 1
1 70 . 8 1 1 A 17 17 THR N N 17 115.763 118.672 -2.909 1
1 71 . 8 1 1 A 18 18 LYS H H 18 8.373 8.418 -0.045 1
1 72 . 8 1 1 A 18 18 LYS HA H 18 4.365 4.895 -0.530 1
1 81 . 8 1 1 A 18 18 LYS C C 18 176.509 175.558 0.951 1
1 82 . 8 1 1 A 18 18 LYS CA C 18 56.348 54.590 1.758 1
1 83 . 8 1 1 A 18 18 LYS CB C 18 33.051 34.697 -1.646 1
1 87 . 8 1 1 A 18 18 LYS N N 18 123.975 128.175 -4.200 1
1 88 . 8 1 1 A 19 19 GLN H H 19 8.387 8.486 -0.099 1
1 89 . 8 1 1 A 19 19 GLN HA H 19 4.378 4.295 0.083 1
1 96 . 8 1 1 A 19 19 GLN C C 19 175.630 175.896 -0.266 1
1 97 . 8 1 1 A 19 19 GLN CA C 19 55.614 55.702 -0.088 1
1 98 . 8 1 1 A 19 19 GLN CB C 19 29.749 29.122 0.627 1
1 100 . 8 1 1 A 19 19 GLN N N 19 121.480 126.486 -5.006 1
1 102 . 8 1 1 A 20 20 ALA H H 20 8.505 8.557 -0.052 1
1 103 . 8 1 1 A 20 20 ALA HA H 20 4.449 4.915 -0.466 1
1 107 . 8 1 1 A 20 20 ALA C C 20 177.361 176.889 0.472 1
1 108 . 8 1 1 A 20 20 ALA CA C 20 52.165 51.221 0.944 1
1 109 . 8 1 1 A 20 20 ALA CB C 20 19.253 20.380 -1.127 1
1 110 . 8 1 1 A 20 20 ALA N N 20 125.974 124.386 1.588 1
1 111 . 8 1 1 A 21 21 PHE H H 21 8.851 9.053 -0.202 1
1 112 . 8 1 1 A 21 21 PHE HA H 21 4.422 5.095 -0.673 1
1 120 . 8 1 1 A 21 21 PHE C C 21 176.063 174.540 1.523 1
1 121 . 8 1 1 A 21 21 PHE CA C 21 56.142 56.432 -0.290 1
1 122 . 8 1 1 A 21 21 PHE CB C 21 39.867 38.974 0.893 1
1 128 . 8 1 1 A 21 21 PHE N N 21 124.486 121.860 2.626 1
1 129 . 8 1 1 A 22 22 PRO HA H 22 4.856 4.995 -0.139 1
1 136 . 8 1 1 A 22 22 PRO C C 22 174.848 177.307 -2.459 1
1 137 . 8 1 1 A 22 22 PRO CA C 22 62.078 62.318 -0.240 1
1 138 . 8 1 1 A 22 22 PRO CB C 22 28.563 30.560 -1.997 1
1 141 . 8 1 1 A 23 23 ARG H H 23 8.356 8.687 -0.331 1
1 142 . 8 1 1 A 23 23 ARG HA H 23 3.650 4.153 -0.503 1
1 149 . 8 1 1 A 23 23 ARG C C 23 176.762 178.333 -1.571 1
1 150 . 8 1 1 A 23 23 ARG CA C 23 60.448 58.356 2.092 1
1 151 . 8 1 1 A 23 23 ARG CB C 23 31.422 29.828 1.594 1
1 154 . 8 1 1 A 23 23 ARG N N 23 126.815 121.589 5.226 1
1 155 . 8 1 1 A 24 24 LYS H H 24 8.555 8.068 0.487 1
1 156 . 8 1 1 A 24 24 LYS HA H 24 3.926 4.035 -0.109 1
1 165 . 8 1 1 A 24 24 LYS C C 24 179.506 177.732 1.774 1
1 166 . 8 1 1 A 24 24 LYS CA C 24 59.888 58.539 1.349 1
1 167 . 8 1 1 A 24 24 LYS CB C 24 31.782 32.180 -0.398 1
1 171 . 8 1 1 A 24 24 LYS N N 24 116.573 118.810 -2.237 1
1 172 . 8 1 1 A 25 25 PHE H H 25 7.575 7.611 -0.036 1
1 173 . 8 1 1 A 25 25 PHE HA H 25 4.487 4.469 0.018 1
1 181 . 8 1 1 A 25 25 PHE C C 25 177.447 177.967 -0.520 1
1 182 . 8 1 1 A 25 25 PHE CA C 25 59.779 59.996 -0.217 1
1 183 . 8 1 1 A 25 25 PHE CB C 25 38.791 40.013 -1.222 1
1 189 . 8 1 1 A 25 25 PHE N N 25 118.123 117.407 0.716 1
1 190 . 8 1 1 A 26 26 VAL H H 26 8.024 8.377 -0.353 1
1 191 . 8 1 1 A 26 26 VAL HA H 26 3.608 3.613 -0.005 1
1 199 . 8 1 1 A 26 26 VAL C C 26 177.770 178.029 -0.259 1
1 200 . 8 1 1 A 26 26 VAL CA C 26 66.473 66.758 -0.285 1
1 201 . 8 1 1 A 26 26 VAL CB C 26 31.408 31.641 -0.233 1
1 204 . 8 1 1 A 26 26 VAL N N 26 117.081 119.494 -2.413 1
1 205 . 8 1 1 A 27 27 LEU H H 27 8.220 8.559 -0.339 1
1 206 . 8 1 1 A 27 27 LEU HA H 27 4.234 4.203 0.031 1
1 216 . 8 1 1 A 27 27 LEU C C 27 180.010 179.436 0.574 1
1 217 . 8 1 1 A 27 27 LEU CA C 27 57.864 57.736 0.128 1
1 218 . 8 1 1 A 27 27 LEU CB C 27 40.488 40.626 -0.138 1
1 222 . 8 1 1 A 27 27 LEU N N 27 118.748 117.736 1.012 1
1 223 . 8 1 1 A 28 28 ALA H H 28 8.014 8.356 -0.342 1
1 224 . 8 1 1 A 28 28 ALA HA H 28 4.289 4.076 0.213 1
1 228 . 8 1 1 A 28 28 ALA C C 28 179.951 179.610 0.341 1
1 229 . 8 1 1 A 28 28 ALA CA C 28 55.110 55.499 -0.389 1
1 230 . 8 1 1 A 28 28 ALA CB C 28 17.970 17.758 0.212 1
1 231 . 8 1 1 A 28 28 ALA N N 28 124.088 122.368 1.720 1
1 232 . 8 1 1 A 29 29 ALA H H 29 8.259 8.210 0.049 1
1 233 . 8 1 1 A 29 29 ALA HA H 29 3.942 4.654 -0.712 1
1 237 . 8 1 1 A 29 29 ALA C C 29 180.505 180.263 0.242 1
1 238 . 8 1 1 A 29 29 ALA CA C 29 54.976 55.229 -0.253 1
1 239 . 8 1 1 A 29 29 ALA CB C 29 17.923 18.213 -0.290 1
1 240 . 8 1 1 A 29 29 ALA N N 29 120.431 121.263 -0.832 1
1 241 . 8 1 1 A 30 30 LEU H H 30 8.098 8.372 -0.274 1
1 242 . 8 1 1 A 30 30 LEU HA H 30 4.007 4.336 -0.329 1
1 252 . 8 1 1 A 30 30 LEU C C 30 178.315 178.317 -0.002 1
1 253 . 8 1 1 A 30 30 LEU CA C 30 58.096 58.200 -0.104 1
1 254 . 8 1 1 A 30 30 LEU CB C 30 41.486 41.688 -0.202 1
1 258 . 8 1 1 A 30 30 LEU N N 30 120.849 120.779 0.070 1
1 259 . 8 1 1 A 31 31 GLU H H 31 8.115 8.702 -0.587 1
1 260 . 8 1 1 A 31 31 GLU HA H 31 3.967 4.016 -0.049 1
1 265 . 8 1 1 A 31 31 GLU C C 31 179.473 178.276 1.197 1
1 266 . 8 1 1 A 31 31 GLU CA C 31 59.683 59.243 0.440 1
1 267 . 8 1 1 A 31 31 GLU CB C 31 29.402 29.379 0.023 1
1 269 . 8 1 1 A 31 31 GLU N N 31 120.752 117.342 3.410 1
1 270 . 8 1 1 A 32 32 GLN H H 32 7.812 7.550 0.262 1
1 271 . 8 1 1 A 32 32 GLN HA H 32 4.001 4.058 -0.057 1
1 278 . 8 1 1 A 32 32 GLN C C 32 176.519 176.737 -0.218 1
1 279 . 8 1 1 A 32 32 GLN CA C 32 57.576 58.340 -0.764 1
1 280 . 8 1 1 A 32 32 GLN CB C 32 29.108 28.285 0.823 1
1 282 . 8 1 1 A 32 32 GLN N N 32 114.711 119.672 -4.961 1
1 284 . 8 1 1 A 33 33 SER H H 33 7.460 7.724 -0.264 1
1 285 . 8 1 1 A 33 33 SER HA H 33 4.257 4.373 -0.116 1
1 288 . 8 1 1 A 33 33 SER C C 33 174.508 174.322 0.186 1
1 289 . 8 1 1 A 33 33 SER CA C 33 58.504 58.877 -0.373 1
1 290 . 8 1 1 A 33 33 SER CB C 33 65.131 63.739 1.392 1
1 291 . 8 1 1 A 33 33 SER N N 33 110.604 114.827 -4.223 1
1 292 . 8 1 1 A 34 34 SER H H 34 7.429 7.458 -0.029 1
1 293 . 8 1 1 A 34 34 SER HA H 34 4.468 4.621 -0.153 1
1 296 . 8 1 1 A 34 34 SER C C 34 174.588 173.847 0.741 1
1 297 . 8 1 1 A 34 34 SER CA C 34 58.556 59.615 -1.059 1
1 298 . 8 1 1 A 34 34 SER CB C 34 65.278 63.694 1.584 1
1 299 . 8 1 1 A 34 34 SER N N 34 117.544 116.777 0.767 1
1 300 . 8 1 1 A 35 35 ASP H H 35 8.822 9.091 -0.269 1
1 301 . 8 1 1 A 35 35 ASP HA H 35 4.778 4.801 -0.023 1
1 304 . 8 1 1 A 35 35 ASP C C 35 178.268 177.473 0.795 1
1 305 . 8 1 1 A 35 35 ASP CA C 35 52.849 54.083 -1.234 1
1 306 . 8 1 1 A 35 35 ASP CB C 35 41.314 41.858 -0.544 1
1 307 . 8 1 1 A 35 35 ASP N N 35 121.575 124.907 -3.332 1
1 308 . 8 1 1 A 36 36 ASP H H 36 8.483 8.985 -0.502 1
1 309 . 8 1 1 A 36 36 ASP HA H 36 4.414 4.299 0.115 1
1 312 . 8 1 1 A 36 36 ASP C C 36 176.670 177.174 -0.504 1
1 313 . 8 1 1 A 36 36 ASP CA C 36 56.605 57.702 -1.097 1
1 314 . 8 1 1 A 36 36 ASP CB C 36 40.286 40.417 -0.131 1
1 315 . 8 1 1 A 36 36 ASP N N 36 117.398 122.742 -5.344 1
1 316 . 8 1 1 A 37 37 ALA H H 37 8.242 7.575 0.667 1
1 317 . 8 1 1 A 37 37 ALA HA H 37 4.532 4.384 0.148 1
1 321 . 8 1 1 A 37 37 ALA C C 37 177.407 177.767 -0.360 1
1 322 . 8 1 1 A 37 37 ALA CA C 37 51.677 52.020 -0.343 1
1 323 . 8 1 1 A 37 37 ALA CB C 37 19.774 19.402 0.372 1
1 324 . 8 1 1 A 37 37 ALA N N 37 122.052 118.364 3.688 1
1 325 . 8 1 1 A 38 38 GLY H H 38 8.155 8.705 -0.550 1
1 326 . 8 1 1 A 38 38 GLY HA2 H 38 3.624 3.743 -0.119 1
1 327 . 8 1 1 A 38 38 GLY HA3 H 38 4.080 3.825 0.255 1
1 328 . 8 1 1 A 38 38 GLY C C 38 173.417 173.458 -0.041 1
1 329 . 8 1 1 A 38 38 GLY CA C 38 45.093 45.973 -0.880 1
1 330 . 8 1 1 A 38 38 GLY N N 38 107.721 107.438 0.283 1
1 331 . 8 1 1 A 39 39 TRP H H 39 8.449 7.991 0.458 1
1 332 . 8 1 1 A 39 39 TRP HA H 39 5.054 5.222 -0.168 1
1 341 . 8 1 1 A 39 39 TRP C C 39 176.577 175.214 1.363 1
1 342 . 8 1 1 A 39 39 TRP CA C 39 56.596 55.733 0.863 1
1 343 . 8 1 1 A 39 39 TRP CB C 39 32.184 33.669 -1.485 1
1 349 . 8 1 1 A 39 39 TRP N N 39 119.797 119.488 0.309 1
1 351 . 8 1 1 A 40 40 ALA H H 40 9.855 9.256 0.599 1
1 352 . 8 1 1 A 40 40 ALA HA H 40 5.099 5.260 -0.161 1
1 356 . 8 1 1 A 40 40 ALA C C 40 176.165 176.393 -0.228 1
1 357 . 8 1 1 A 40 40 ALA CA C 40 50.202 50.334 -0.132 1
1 358 . 8 1 1 A 40 40 ALA CB C 40 23.153 21.618 1.535 1
1 359 . 8 1 1 A 40 40 ALA N N 40 124.618 125.573 -0.955 1
1 360 . 8 1 1 A 41 41 ASN H H 41 8.794 8.604 0.190 1
1 361 . 8 1 1 A 41 41 ASN HA H 41 3.771 4.126 -0.355 1
1 366 . 8 1 1 A 41 41 ASN C C 41 175.824 176.468 -0.644 1
1 367 . 8 1 1 A 41 41 ASN CA C 41 52.724 53.249 -0.525 1
1 368 . 8 1 1 A 41 41 ASN CB C 41 39.927 39.612 0.315 1
1 369 . 8 1 1 A 41 41 ASN N N 41 121.050 121.716 -0.666 1
1 371 . 8 1 1 A 42 42 LEU H H 42 8.493 8.575 -0.082 1
1 372 . 8 1 1 A 42 42 LEU HA H 42 3.834 4.054 -0.220 1
1 382 . 8 1 1 A 42 42 LEU C C 42 178.256 179.115 -0.859 1
1 383 . 8 1 1 A 42 42 LEU CA C 42 58.859 58.270 0.589 1
1 384 . 8 1 1 A 42 42 LEU CB C 42 42.233 41.814 0.419 1
1 388 . 8 1 1 A 42 42 LEU N N 42 126.418 129.279 -2.861 1
1 389 . 8 1 1 A 43 43 GLY H H 43 8.440 8.176 0.264 1
1 390 . 8 1 1 A 43 43 GLY HA2 H 43 3.912 3.723 0.189 1
1 391 . 8 1 1 A 43 43 GLY HA3 H 43 3.822 3.741 0.081 1
1 392 . 8 1 1 A 43 43 GLY C C 43 176.344 176.444 -0.100 1
1 393 . 8 1 1 A 43 43 GLY CA C 43 47.070 47.192 -0.122 1
1 394 . 8 1 1 A 43 43 GLY N N 43 106.800 106.662 0.138 1
1 395 . 8 1 1 A 44 44 ASN H H 44 7.916 7.889 0.027 1
1 396 . 8 1 1 A 44 44 ASN HA H 44 4.472 4.504 -0.032 1
1 401 . 8 1 1 A 44 44 ASN C C 44 177.888 177.944 -0.056 1
1 402 . 8 1 1 A 44 44 ASN CA C 44 56.004 55.813 0.191 1
1 403 . 8 1 1 A 44 44 ASN CB C 44 38.316 38.467 -0.151 1
1 404 . 8 1 1 A 44 44 ASN N N 44 121.472 120.463 1.009 1
1 406 . 8 1 1 A 45 45 PHE H H 45 8.563 8.377 0.186 1
1 407 . 8 1 1 A 45 45 PHE HA H 45 4.498 4.331 0.167 1
1 415 . 8 1 1 A 45 45 PHE C C 45 176.732 178.012 -1.280 1
1 416 . 8 1 1 A 45 45 PHE CA C 45 60.350 60.278 0.072 1
1 417 . 8 1 1 A 45 45 PHE CB C 45 38.824 38.988 -0.164 1
1 423 . 8 1 1 A 45 45 PHE N N 45 121.835 121.645 0.190 1
1 424 . 8 1 1 A 46 46 GLY H H 46 8.933 8.856 0.077 1
1 425 . 8 1 1 A 46 46 GLY HA2 H 46 3.820 3.547 0.273 1
1 426 . 8 1 1 A 46 46 GLY HA3 H 46 3.186 3.723 -0.537 1
1 427 . 8 1 1 A 46 46 GLY C C 46 176.053 175.553 0.500 1
1 428 . 8 1 1 A 46 46 GLY CA C 46 47.171 46.944 0.227 1
1 429 . 8 1 1 A 46 46 GLY N N 46 106.269 106.408 -0.139 1
1 430 . 8 1 1 A 47 47 ASN H H 47 7.812 7.972 -0.160 1
1 431 . 8 1 1 A 47 47 ASN HA H 47 4.470 4.487 -0.017 1
1 436 . 8 1 1 A 47 47 ASN C C 47 178.087 176.986 1.101 1
1 437 . 8 1 1 A 47 47 ASN CA C 47 55.974 55.844 0.130 1
1 438 . 8 1 1 A 47 47 ASN CB C 47 38.149 38.959 -0.810 1
1 439 . 8 1 1 A 47 47 ASN N N 47 120.030 120.041 -0.011 1
1 441 . 8 1 1 A 48 48 TYR H H 48 8.093 8.375 -0.282 1
1 442 . 8 1 1 A 48 48 TYR HA H 48 4.007 4.135 -0.128 1
1 449 . 8 1 1 A 48 48 TYR C C 48 178.310 177.583 0.727 1
1 450 . 8 1 1 A 48 48 TYR CA C 48 62.527 61.202 1.325 1
1 451 . 8 1 1 A 48 48 TYR CB C 48 38.254 38.774 -0.520 1
1 456 . 8 1 1 A 48 48 TYR N N 48 121.030 119.967 1.063 1
1 457 . 8 1 1 A 49 49 LEU H H 49 8.480 8.220 0.260 1
1 458 . 8 1 1 A 49 49 LEU HA H 49 3.624 3.875 -0.251 1
1 468 . 8 1 1 A 49 49 LEU C C 49 177.653 178.290 -0.637 1
1 469 . 8 1 1 A 49 49 LEU CA C 49 58.321 58.058 0.263 1
1 470 . 8 1 1 A 49 49 LEU CB C 49 41.046 41.110 -0.064 1
1 474 . 8 1 1 A 49 49 LEU N N 49 121.024 121.070 -0.046 1
1 475 . 8 1 1 A 50 50 ASN H H 50 7.564 8.149 -0.585 1
1 476 . 8 1 1 A 50 50 ASN HA H 50 4.493 4.635 -0.142 1
1 481 . 8 1 1 A 50 50 ASN C C 50 176.498 177.345 -0.847 1
1 482 . 8 1 1 A 50 50 ASN CA C 50 55.479 55.384 0.095 1
1 483 . 8 1 1 A 50 50 ASN CB C 50 39.302 38.869 0.433 1
1 484 . 8 1 1 A 50 50 ASN N N 50 114.582 116.385 -1.803 1
1 486 . 8 1 1 A 51 51 LYS H H 51 7.370 7.519 -0.149 1
1 487 . 8 1 1 A 51 51 LYS HA H 51 3.990 3.935 0.055 1
1 496 . 8 1 1 A 51 51 LYS C C 51 178.403 178.583 -0.180 1
1 497 . 8 1 1 A 51 51 LYS CA C 51 58.512 59.426 -0.914 1
1 498 . 8 1 1 A 51 51 LYS CB C 51 32.245 32.362 -0.117 1
1 502 . 8 1 1 A 51 51 LYS N N 51 118.289 118.727 -0.438 1
1 503 . 8 1 1 A 52 52 LEU H H 52 7.518 7.280 0.238 1
1 504 . 8 1 1 A 52 52 LEU HA H 52 4.085 4.179 -0.094 1
1 514 . 8 1 1 A 52 52 LEU C C 52 177.924 176.816 1.108 1
1 515 . 8 1 1 A 52 52 LEU CA C 52 56.424 56.228 0.196 1
1 516 . 8 1 1 A 52 52 LEU CB C 52 42.952 43.471 -0.519 1
1 520 . 8 1 1 A 52 52 LEU N N 52 117.841 118.278 -0.437 1
1 521 . 8 1 1 A 53 53 GLN H H 53 8.438 8.091 0.347 1
1 522 . 8 1 1 A 53 53 GLN HA H 53 4.583 4.696 -0.113 1
1 529 . 8 1 1 A 53 53 GLN C C 53 172.039 174.199 -2.160 1
1 530 . 8 1 1 A 53 53 GLN CA C 53 52.780 53.593 -0.813 1
1 531 . 8 1 1 A 53 53 GLN CB C 53 29.902 28.949 0.953 1
1 533 . 8 1 1 A 53 53 GLN N N 53 118.578 118.115 0.463 1
1 535 . 8 1 1 A 54 54 PRO HA H 54 4.718 4.446 0.272 1
1 542 . 8 1 1 A 54 54 PRO C C 54 177.295 177.466 -0.171 1
1 543 . 8 1 1 A 54 54 PRO CA C 54 64.754 64.448 0.306 1
1 544 . 8 1 1 A 54 54 PRO CB C 54 31.924 31.900 0.024 1
1 547 . 8 1 1 A 55 55 ASP H H 55 8.349 8.383 -0.034 1
1 548 . 8 1 1 A 55 55 ASP HA H 55 4.596 4.487 0.109 1
1 551 . 8 1 1 A 55 55 ASP C C 55 176.361 176.385 -0.024 1
1 552 . 8 1 1 A 55 55 ASP CA C 55 53.467 55.724 -2.257 1
1 553 . 8 1 1 A 55 55 ASP CB C 55 40.050 40.367 -0.317 1
1 554 . 8 1 1 A 55 55 ASP N N 55 114.766 116.715 -1.949 1
1 555 . 8 1 1 A 56 56 PHE H H 56 8.187 7.891 0.296 1
1 556 . 8 1 1 A 56 56 PHE HA H 56 4.055 4.844 -0.789 1
1 564 . 8 1 1 A 56 56 PHE C C 56 175.257 174.223 1.034 1
1 565 . 8 1 1 A 56 56 PHE CA C 56 61.149 56.679 4.470 1
1 566 . 8 1 1 A 56 56 PHE CB C 56 38.680 39.259 -0.579 1
1 572 . 8 1 1 A 56 56 PHE N N 56 122.323 120.957 1.366 1
1 573 . 8 1 1 A 57 57 ASP H H 57 6.887 8.481 -1.594 1
1 574 . 8 1 1 A 57 57 ASP HA H 57 4.670 5.053 -0.383 1
1 577 . 8 1 1 A 57 57 ASP C C 57 176.308 176.402 -0.094 1
1 578 . 8 1 1 A 57 57 ASP CA C 57 52.895 52.821 0.074 1
1 579 . 8 1 1 A 57 57 ASP CB C 57 42.942 43.380 -0.438 1
1 580 . 8 1 1 A 57 57 ASP N N 57 127.342 128.281 -0.939 1
1 581 . 8 1 1 A 58 58 SER H H 58 9.284 9.069 0.215 1
1 582 . 8 1 1 A 58 58 SER HA H 58 3.991 4.215 -0.224 1
1 585 . 8 1 1 A 58 58 SER C C 58 176.248 176.718 -0.470 1
1 586 . 8 1 1 A 58 58 SER CA C 58 63.050 61.387 1.663 1
1 587 . 8 1 1 A 58 58 SER CB C 58 63.339 62.480 0.859 1
1 588 . 8 1 1 A 58 58 SER N N 58 123.478 119.861 3.617 1
1 589 . 8 1 1 A 59 59 ARG H H 59 8.639 7.667 0.972 1
1 590 . 8 1 1 A 59 59 ARG HA H 59 4.073 4.155 -0.082 1
1 597 . 8 1 1 A 59 59 ARG C C 59 180.693 179.158 1.535 1
1 598 . 8 1 1 A 59 59 ARG CA C 59 58.787 58.926 -0.139 1
1 599 . 8 1 1 A 59 59 ARG CB C 59 29.824 29.849 -0.025 1
1 602 . 8 1 1 A 59 59 ARG N N 59 123.207 121.914 1.293 1
1 603 . 8 1 1 A 60 60 LEU H H 60 7.460 8.072 -0.612 1
1 604 . 8 1 1 A 60 60 LEU HA H 60 3.841 3.907 -0.066 1
1 614 . 8 1 1 A 60 60 LEU C C 60 177.018 177.689 -0.671 1
1 615 . 8 1 1 A 60 60 LEU CA C 60 56.556 57.412 -0.856 1
1 616 . 8 1 1 A 60 60 LEU CB C 60 41.013 41.218 -0.205 1
1 620 . 8 1 1 A 60 60 LEU N N 60 120.191 118.966 1.225 1
1 621 . 8 1 1 A 61 61 TYR H H 61 7.200 7.748 -0.548 1
1 622 . 8 1 1 A 61 61 TYR HA H 61 4.781 4.646 0.135 1
1 629 . 8 1 1 A 61 61 TYR C C 61 175.303 175.868 -0.565 1
1 630 . 8 1 1 A 61 61 TYR CA C 61 56.371 57.722 -1.351 1
1 631 . 8 1 1 A 61 61 TYR CB C 61 38.825 38.784 0.041 1
1 636 . 8 1 1 A 61 61 TYR N N 61 114.720 116.324 -1.604 1
1 637 . 8 1 1 A 62 62 GLY H H 62 7.354 8.013 -0.659 1
1 638 . 8 1 1 A 62 62 GLY HA2 H 62 3.968 3.909 0.059 1
1 639 . 8 1 1 A 62 62 GLY HA3 H 62 3.552 3.930 -0.378 1
1 640 . 8 1 1 A 62 62 GLY C C 62 173.542 174.330 -0.788 1
1 641 . 8 1 1 A 62 62 GLY CA C 62 44.889 45.515 -0.626 1
1 642 . 8 1 1 A 62 62 GLY N N 62 104.100 108.911 -4.811 1
1 643 . 8 1 1 A 63 63 TYR H H 63 7.377 7.672 -0.295 1
1 644 . 8 1 1 A 63 63 TYR HA H 63 4.937 4.612 0.325 1
1 651 . 8 1 1 A 63 63 TYR C C 63 175.675 176.014 -0.339 1
1 652 . 8 1 1 A 63 63 TYR CA C 63 56.902 58.435 -1.533 1
1 653 . 8 1 1 A 63 63 TYR CB C 63 42.609 39.677 2.932 1
1 658 . 8 1 1 A 63 63 TYR N N 63 117.874 119.751 -1.877 1
1 659 . 8 1 1 A 64 64 LYS H H 64 9.403 8.850 0.553 1
1 660 . 8 1 1 A 64 64 LYS HA H 64 3.914 4.363 -0.449 1
1 669 . 8 1 1 A 64 64 LYS C C 64 176.334 176.604 -0.270 1
1 670 . 8 1 1 A 64 64 LYS CA C 64 59.534 57.347 2.187 1
1 671 . 8 1 1 A 64 64 LYS CB C 64 32.892 33.520 -0.628 1
1 675 . 8 1 1 A 64 64 LYS N N 64 123.946 121.242 2.704 1
1 676 . 8 1 1 A 65 65 LYS H H 65 7.635 7.652 -0.017 1
1 677 . 8 1 1 A 65 65 LYS HA H 65 4.787 4.713 0.074 1
1 686 . 8 1 1 A 65 65 LYS C C 65 177.231 176.614 0.617 1
1 687 . 8 1 1 A 65 65 LYS CA C 65 54.089 55.069 -0.980 1
1 688 . 8 1 1 A 65 65 LYS CB C 65 35.722 34.101 1.621 1
1 692 . 8 1 1 A 65 65 LYS N N 65 112.461 114.913 -2.452 1
1 693 . 8 1 1 A 66 66 LEU H H 66 9.090 8.647 0.443 1
1 694 . 8 1 1 A 66 66 LEU HA H 66 4.240 4.100 0.140 1
1 704 . 8 1 1 A 66 66 LEU C C 66 178.820 178.513 0.307 1
1 705 . 8 1 1 A 66 66 LEU CA C 66 58.129 58.227 -0.098 1
1 706 . 8 1 1 A 66 66 LEU CB C 66 41.476 41.411 0.065 1
1 710 . 8 1 1 A 66 66 LEU N N 66 124.584 121.190 3.394 1
1 711 . 8 1 1 A 67 67 SER H H 67 8.867 8.376 0.491 1
1 712 . 8 1 1 A 67 67 SER HA H 67 3.697 4.204 -0.507 1
1 715 . 8 1 1 A 67 67 SER C C 67 175.588 175.758 -0.170 1
1 716 . 8 1 1 A 67 67 SER CA C 67 61.518 61.356 0.162 1
1 717 . 8 1 1 A 67 67 SER CB C 67 61.537 62.645 -1.108 1
1 718 . 8 1 1 A 67 67 SER N N 67 112.095 114.828 -2.733 1
1 719 . 8 1 1 A 68 68 ASP H H 68 6.783 8.408 -1.625 1
1 720 . 8 1 1 A 68 68 ASP HA H 68 4.356 4.393 -0.037 1
1 723 . 8 1 1 A 68 68 ASP C C 68 177.827 178.299 -0.472 1
1 724 . 8 1 1 A 68 68 ASP CA C 68 57.170 58.007 -0.837 1
1 725 . 8 1 1 A 68 68 ASP CB C 68 41.380 41.849 -0.469 1
1 726 . 8 1 1 A 68 68 ASP N N 68 119.720 121.517 -1.797 1
1 727 . 8 1 1 A 69 69 LEU H H 69 7.153 7.544 -0.391 1
1 728 . 8 1 1 A 69 69 LEU HA H 69 2.561 3.080 -0.519 1
1 738 . 8 1 1 A 69 69 LEU C C 69 177.830 178.557 -0.727 1
1 739 . 8 1 1 A 69 69 LEU CA C 69 58.843 57.934 0.909 1
1 740 . 8 1 1 A 69 69 LEU CB C 69 42.203 41.397 0.806 1
1 744 . 8 1 1 A 69 69 LEU N N 69 122.181 120.282 1.899 1
1 745 . 8 1 1 A 70 70 VAL H H 70 8.167 8.269 -0.102 1
1 746 . 8 1 1 A 70 70 VAL HA H 70 3.509 3.665 -0.156 1
1 754 . 8 1 1 A 70 70 VAL C C 70 177.695 178.196 -0.501 1
1 755 . 8 1 1 A 70 70 VAL CA C 70 65.582 67.290 -1.708 1
1 756 . 8 1 1 A 70 70 VAL CB C 70 31.409 31.493 -0.084 1
1 759 . 8 1 1 A 70 70 VAL N N 70 116.117 119.422 -3.305 1
1 760 . 8 1 1 A 71 71 LYS H H 71 7.665 8.256 -0.591 1
1 761 . 8 1 1 A 71 71 LYS HA H 71 3.854 4.160 -0.306 1
1 770 . 8 1 1 A 71 71 LYS C C 71 177.406 178.089 -0.683 1
1 771 . 8 1 1 A 71 71 LYS CA C 71 59.175 58.655 0.520 1
1 772 . 8 1 1 A 71 71 LYS CB C 71 32.804 31.463 1.341 1
1 776 . 8 1 1 A 71 71 LYS N N 71 116.326 119.643 -3.317 1
1 777 . 8 1 1 A 72 72 ALA H H 72 7.506 7.375 0.131 1
1 778 . 8 1 1 A 72 72 ALA HA H 72 4.391 4.267 0.124 1
1 782 . 8 1 1 A 72 72 ALA C C 72 180.756 177.927 2.829 1
1 783 . 8 1 1 A 72 72 ALA CA C 72 53.691 53.442 0.249 1
1 784 . 8 1 1 A 72 72 ALA CB C 72 20.243 19.259 0.984 1
1 785 . 8 1 1 A 72 72 ALA N N 72 118.313 120.760 -2.447 1
1 786 . 8 1 1 A 73 73 ARG H H 73 7.603 7.637 -0.034 1
1 787 . 8 1 1 A 73 73 ARG HA H 73 4.872 4.660 0.212 1
1 795 . 8 1 1 A 73 73 ARG C C 73 177.558 176.556 1.002 1
1 796 . 8 1 1 A 73 73 ARG CA C 73 51.230 54.938 -3.708 1
1 797 . 8 1 1 A 73 73 ARG CB C 73 25.568 30.080 -4.512 1
1 800 . 8 1 1 A 73 73 ARG N N 73 118.690 116.666 2.024 1
1 802 . 8 1 1 A 74 74 THR H H 74 8.261 7.999 0.262 1
1 803 . 8 1 1 A 74 74 THR HA H 74 4.552 4.482 0.070 1
1 808 . 8 1 1 A 74 74 THR C C 74 174.706 175.920 -1.214 1
1 809 . 8 1 1 A 74 74 THR CA C 74 62.876 64.263 -1.387 1
1 810 . 8 1 1 A 74 74 THR CB C 74 68.716 68.746 -0.030 1
1 812 . 8 1 1 A 74 74 THR N N 74 115.950 112.971 2.979 1
1 813 . 8 1 1 A 75 75 ASP H H 75 9.542 8.069 1.473 1
1 814 . 8 1 1 A 75 75 ASP HA H 75 4.310 4.341 -0.031 1
1 817 . 8 1 1 A 75 75 ASP C C 75 175.958 177.102 -1.144 1
1 818 . 8 1 1 A 75 75 ASP CA C 75 54.476 56.942 -2.466 1
1 819 . 8 1 1 A 75 75 ASP CB C 75 38.969 41.428 -2.459 1
1 820 . 8 1 1 A 75 75 ASP N N 75 116.582 122.271 -5.689 1
1 821 . 8 1 1 A 76 76 LEU H H 76 7.078 7.517 -0.439 1
1 822 . 8 1 1 A 76 76 LEU HA H 76 4.225 4.122 0.103 1
1 832 . 8 1 1 A 76 76 LEU C C 76 177.244 176.200 1.044 1
1 833 . 8 1 1 A 76 76 LEU CA C 76 55.349 55.523 -0.174 1
1 834 . 8 1 1 A 76 76 LEU CB C 76 43.508 43.344 0.164 1
1 838 . 8 1 1 A 76 76 LEU N N 76 117.639 116.772 0.867 1
1 839 . 8 1 1 A 77 77 PHE H H 77 7.977 7.430 0.547 1
1 840 . 8 1 1 A 77 77 PHE HA H 77 5.648 5.166 0.482 1
1 848 . 8 1 1 A 77 77 PHE C C 77 175.868 174.692 1.176 1
1 849 . 8 1 1 A 77 77 PHE CA C 77 54.878 56.143 -1.265 1
1 850 . 8 1 1 A 77 77 PHE CB C 77 42.833 42.095 0.738 1
1 856 . 8 1 1 A 77 77 PHE N N 77 115.989 115.619 0.370 1
1 857 . 8 1 1 A 78 78 VAL H H 78 8.863 9.139 -0.276 1
1 858 . 8 1 1 A 78 78 VAL HA H 78 4.425 4.782 -0.357 1
1 866 . 8 1 1 A 78 78 VAL C C 78 175.288 175.450 -0.162 1
1 867 . 8 1 1 A 78 78 VAL CA C 78 61.575 61.134 0.441 1
1 868 . 8 1 1 A 78 78 VAL CB C 78 33.988 33.931 0.057 1
1 871 . 8 1 1 A 78 78 VAL N N 78 123.339 119.902 3.437 1
1 872 . 8 1 1 A 79 79 THR H H 79 8.305 9.145 -0.840 1
1 873 . 8 1 1 A 79 79 THR HA H 79 5.882 5.559 0.323 1
1 878 . 8 1 1 A 79 79 THR C C 79 174.566 173.826 0.740 1
1 879 . 8 1 1 A 79 79 THR CA C 79 59.476 60.519 -1.043 1
1 880 . 8 1 1 A 79 79 THR CB C 79 73.090 70.833 2.257 1
1 882 . 8 1 1 A 79 79 THR N N 79 113.057 119.964 -6.907 1
1 883 . 8 1 1 A 80 80 GLU H H 80 8.962 8.740 0.222 1
1 884 . 8 1 1 A 80 80 GLU HA H 80 4.589 4.954 -0.365 1
1 889 . 8 1 1 A 80 80 GLU C C 80 174.040 175.740 -1.700 1
1 890 . 8 1 1 A 80 80 GLU CA C 80 55.878 55.136 0.742 1
1 891 . 8 1 1 A 80 80 GLU CB C 80 33.399 33.292 0.107 1
1 893 . 8 1 1 A 80 80 GLU N N 80 117.934 122.530 -4.596 1
1 894 . 8 1 1 A 81 81 GLU H H 81 8.687 8.865 -0.178 1
1 895 . 8 1 1 A 81 81 GLU HA H 81 5.213 4.809 0.404 1
1 900 . 8 1 1 A 81 81 GLU C C 81 176.406 175.684 0.722 1
1 901 . 8 1 1 A 81 81 GLU CA C 81 55.186 56.141 -0.955 1
1 902 . 8 1 1 A 81 81 GLU CB C 81 31.544 30.618 0.926 1
1 904 . 8 1 1 A 81 81 GLU N N 81 122.400 124.259 -1.859 1
1 905 . 8 1 1 A 82 82 ARG H H 82 9.118 9.325 -0.207 1
1 906 . 8 1 1 A 82 82 ARG HA H 82 4.635 4.741 -0.106 1
1 914 . 8 1 1 A 82 82 ARG C C 82 175.222 174.829 0.393 1
1 915 . 8 1 1 A 82 82 ARG CA C 82 54.746 54.287 0.459 1
1 916 . 8 1 1 A 82 82 ARG CB C 82 33.719 33.288 0.431 1
1 919 . 8 1 1 A 82 82 ARG N N 82 121.851 125.012 -3.161 1
1 921 . 8 1 1 A 83 83 GLN H H 83 8.642 8.577 0.065 1
1 922 . 8 1 1 A 83 83 GLN HA H 83 4.340 4.630 -0.290 1
1 927 . 8 1 1 A 83 83 GLN C C 83 175.705 175.472 0.233 1
1 928 . 8 1 1 A 83 83 GLN CA C 83 56.094 55.692 0.402 1
1 929 . 8 1 1 A 83 83 GLN CB C 83 29.424 29.514 -0.090 1
1 931 . 8 1 1 A 83 83 GLN N N 83 121.976 123.010 -1.034 1
1 932 . 8 1 1 A 84 84 VAL H H 84 8.818 8.174 0.644 1
1 933 . 8 1 1 A 84 84 VAL HA H 84 4.399 4.524 -0.125 1
1 941 . 8 1 1 A 84 84 VAL C C 84 174.439 174.720 -0.281 1
1 942 . 8 1 1 A 84 84 VAL CA C 84 59.977 59.310 0.667 1
1 943 . 8 1 1 A 84 84 VAL CB C 84 32.948 32.036 0.912 1
1 946 . 8 1 1 A 84 84 VAL N N 84 128.548 126.295 2.253 1
1 947 . 8 1 1 A 85 85 PRO HA H 85 4.313 4.255 0.058 1
1 954 . 8 1 1 A 85 85 PRO C C 85 178.026 177.493 0.533 1
1 955 . 8 1 1 A 85 85 PRO CA C 85 64.139 64.135 0.004 1
1 956 . 8 1 1 A 85 85 PRO CB C 85 31.744 31.576 0.168 1
1 959 . 8 1 1 A 86 86 GLY H H 86 8.815 8.830 -0.015 1
1 960 . 8 1 1 A 86 86 GLY HA2 H 86 3.751 3.885 -0.134 1
1 961 . 8 1 1 A 86 86 GLY HA3 H 86 4.148 3.889 0.259 1
1 962 . 8 1 1 A 86 86 GLY C C 86 173.673 173.293 0.380 1
1 963 . 8 1 1 A 86 86 GLY CA C 86 45.661 45.176 0.485 1
1 964 . 8 1 1 A 86 86 GLY N N 86 111.839 113.318 -1.479 1
1 965 . 8 1 1 A 87 87 SER H H 87 8.029 7.745 0.284 1
1 966 . 8 1 1 A 87 87 SER HA H 87 4.955 4.963 -0.008 1
1 969 . 8 1 1 A 87 87 SER C C 87 174.293 174.053 0.240 1
1 970 . 8 1 1 A 87 87 SER CA C 87 56.119 57.431 -1.312 1
1 971 . 8 1 1 A 87 87 SER CB C 87 65.288 66.226 -0.938 1
1 972 . 8 1 1 A 87 87 SER N N 87 114.255 114.953 -0.698 1
1 973 . 8 1 1 A 88 88 THR H H 88 8.366 8.443 -0.077 1
1 974 . 8 1 1 A 88 88 THR HA H 88 4.438 4.410 0.028 1
1 979 . 8 1 1 A 88 88 THR C C 88 175.360 174.306 1.054 1
1 980 . 8 1 1 A 88 88 THR CA C 88 62.103 63.381 -1.278 1
1 981 . 8 1 1 A 88 88 THR CB C 88 69.017 69.656 -0.639 1
1 983 . 8 1 1 A 88 88 THR N N 88 112.921 118.710 -5.789 1
1 984 . 8 1 1 A 89 89 GLN H H 89 8.342 7.567 0.775 1
1 985 . 8 1 1 A 89 89 GLN HA H 89 4.382 4.427 -0.045 1
1 990 . 8 1 1 A 89 89 GLN C C 89 175.462 175.542 -0.080 1
1 991 . 8 1 1 A 89 89 GLN CA C 89 55.599 55.313 0.286 1
1 992 . 8 1 1 A 89 89 GLN CB C 89 30.016 30.257 -0.241 1
1 994 . 8 1 1 A 89 89 GLN N N 89 122.086 117.875 4.211 1
1 995 . 8 1 1 A 90 90 LYS H H 90 8.584 8.957 -0.373 1
1 996 . 8 1 1 A 90 90 LYS HA H 90 4.779 5.084 -0.305 1
1 1005 . 8 1 1 A 90 90 LYS C C 90 175.897 175.018 0.879 1
1 1006 . 8 1 1 A 90 90 LYS CA C 90 55.590 54.758 0.832 1
1 1007 . 8 1 1 A 90 90 LYS CB C 90 34.742 35.459 -0.717 1
1 1011 . 8 1 1 A 90 90 LYS N N 90 121.945 118.777 3.168 1
1 1012 . 8 1 1 A 91 91 ALA H H 91 8.975 9.258 -0.283 1
1 1013 . 8 1 1 A 91 91 ALA HA H 91 4.738 5.169 -0.431 1
1 1017 . 8 1 1 A 91 91 ALA C C 91 175.585 175.978 -0.393 1
1 1018 . 8 1 1 A 91 91 ALA CA C 91 50.741 50.117 0.624 1
1 1019 . 8 1 1 A 91 91 ALA CB C 91 22.890 22.180 0.710 1
1 1020 . 8 1 1 A 91 91 ALA N N 91 124.604 124.733 -0.129 1
1 1021 . 8 1 1 A 92 92 LEU H H 92 8.523 8.414 0.109 1
1 1022 . 8 1 1 A 92 92 LEU HA H 92 4.707 4.722 -0.015 1
1 1032 . 8 1 1 A 92 92 LEU C C 92 174.752 174.201 0.551 1
1 1033 . 8 1 1 A 92 92 LEU CA C 92 55.285 54.358 0.927 1
1 1034 . 8 1 1 A 92 92 LEU CB C 92 43.267 42.994 0.273 1
1 1038 . 8 1 1 A 92 92 LEU N N 92 123.888 123.980 -0.092 1
1 1039 . 8 1 1 A 93 93 TYR H H 93 9.289 9.450 -0.161 1
1 1040 . 8 1 1 A 93 93 TYR HA H 93 5.269 5.169 0.100 1
1 1047 . 8 1 1 A 93 93 TYR C C 93 174.528 175.880 -1.352 1
1 1048 . 8 1 1 A 93 93 TYR CA C 93 56.505 57.176 -0.671 1
1 1049 . 8 1 1 A 93 93 TYR CB C 93 41.881 40.392 1.489 1
1 1054 . 8 1 1 A 93 93 TYR N N 93 126.872 127.788 -0.916 1
1 1055 . 8 1 1 A 94 94 LEU H H 94 9.551 9.337 0.214 1
1 1056 . 8 1 1 A 94 94 LEU HA H 94 5.869 5.535 0.334 1
1 1066 . 8 1 1 A 94 94 LEU C C 94 173.433 174.921 -1.488 1
1 1067 . 8 1 1 A 94 94 LEU CA C 94 54.131 53.487 0.644 1
1 1068 . 8 1 1 A 94 94 LEU CB C 94 46.320 45.724 0.596 1
1 1072 . 8 1 1 A 94 94 LEU N N 94 117.884 123.546 -5.662 1
1 1073 . 8 1 1 A 95 95 ARG H H 95 8.603 8.693 -0.090 1
1 1074 . 8 1 1 A 95 95 ARG HA H 95 4.707 4.856 -0.149 1
1 1082 . 8 1 1 A 95 95 ARG C C 95 174.605 174.633 -0.028 1
1 1083 . 8 1 1 A 95 95 ARG CA C 95 53.795 53.899 -0.104 1
1 1084 . 8 1 1 A 95 95 ARG CB C 95 33.468 33.545 -0.077 1
1 1087 . 8 1 1 A 95 95 ARG N N 95 116.939 120.527 -3.588 1
1 1089 . 8 1 1 A 96 96 ALA H H 96 9.072 8.581 0.491 1
1 1090 . 8 1 1 A 96 96 ALA HA H 96 4.404 4.415 -0.011 1
1 1094 . 8 1 1 A 96 96 ALA C C 96 177.811 176.937 0.874 1
1 1095 . 8 1 1 A 96 96 ALA CA C 96 52.324 52.214 0.110 1
1 1096 . 8 1 1 A 96 96 ALA CB C 96 18.248 19.171 -0.923 1
1 1097 . 8 1 1 A 96 96 ALA N N 96 124.914 124.067 0.847 1
1 1098 . 8 1 1 A 97 97 LYS H H 97 7.989 8.360 -0.371 1
1 1099 . 8 1 1 A 97 97 LYS HA H 97 3.922 4.438 -0.516 1
1 1108 . 8 1 1 A 97 97 LYS C C 97 175.978 174.813 1.165 1
1 1109 . 8 1 1 A 97 97 LYS CA C 97 56.915 56.180 0.735 1
1 1110 . 8 1 1 A 97 97 LYS CB C 97 32.864 32.854 0.010 1
1 1114 . 8 1 1 A 97 97 LYS N N 97 123.129 122.964 0.165 1
1 1115 . 8 1 1 A 98 98 LEU H H 98 8.118 9.023 -0.905 1
1 1116 . 8 1 1 A 98 98 LEU HA H 98 4.321 4.558 -0.237 1
1 1126 . 8 1 1 A 98 98 LEU C C 98 176.592 176.775 -0.183 1
1 1127 . 8 1 1 A 98 98 LEU CA C 98 54.627 54.211 0.416 1
1 1128 . 8 1 1 A 98 98 LEU CB C 98 42.566 41.364 1.202 1
1 1132 . 8 1 1 A 98 98 LEU N N 98 123.816 128.666 -4.850 1
1 1133 . 8 1 1 A 99 99 GLU H H 99 8.376 8.828 -0.452 1
1 1134 . 8 1 1 A 99 99 GLU C C 99 175.790 177.089 -1.299 1
1 1 . 9 1 1 A 5 5 SER H H 5 8.350 8.503 -0.153 1
1 2 . 9 1 1 A 5 5 SER N N 5 116.816 121.577 -4.761 1
1 3 . 9 1 1 A 9 9 GLN H H 9 8.479 8.197 0.282 1
1 4 . 9 1 1 A 9 9 GLN N N 9 121.973 122.212 -0.239 1
1 5 . 9 1 1 A 10 10 PRO HA H 10 4.392 4.603 -0.211 1
1 8 . 9 1 1 A 10 10 PRO C C 10 176.702 176.368 0.334 1
1 9 . 9 1 1 A 10 10 PRO CA C 10 63.029 62.530 0.499 1
1 10 . 9 1 1 A 10 10 PRO CB C 10 32.056 32.350 -0.294 1
1 11 . 9 1 1 A 11 11 ALA H H 11 8.421 8.249 0.172 1
1 12 . 9 1 1 A 11 11 ALA HA H 11 4.254 4.580 -0.326 1
1 16 . 9 1 1 A 11 11 ALA C C 11 177.592 178.832 -1.240 1
1 17 . 9 1 1 A 11 11 ALA CA C 11 52.405 50.443 1.962 1
1 18 . 9 1 1 A 11 11 ALA CB C 11 19.242 20.676 -1.434 1
1 19 . 9 1 1 A 11 11 ALA N N 11 124.566 122.901 1.665 1
1 20 . 9 1 1 A 12 12 ALA H H 12 8.297 8.470 -0.173 1
1 21 . 9 1 1 A 12 12 ALA HA H 12 4.278 4.322 -0.044 1
1 25 . 9 1 1 A 12 12 ALA C C 12 177.607 177.032 0.575 1
1 26 . 9 1 1 A 12 12 ALA CA C 12 52.402 52.519 -0.117 1
1 27 . 9 1 1 A 12 12 ALA CB C 12 19.397 19.317 0.080 1
1 28 . 9 1 1 A 12 12 ALA N N 12 123.470 119.040 4.430 1
1 29 . 9 1 1 A 13 13 GLN H H 13 8.302 7.762 0.540 1
1 30 . 9 1 1 A 13 13 GLN HA H 13 4.304 4.837 -0.533 1
1 33 . 9 1 1 A 13 13 GLN C C 13 175.344 175.225 0.119 1
1 34 . 9 1 1 A 13 13 GLN CA C 13 55.396 54.688 0.708 1
1 35 . 9 1 1 A 13 13 GLN CB C 13 29.738 31.247 -1.509 1
1 36 . 9 1 1 A 13 13 GLN N N 13 119.718 117.393 2.325 1
1 37 . 9 1 1 A 14 14 ALA H H 14 8.405 8.585 -0.180 1
1 38 . 9 1 1 A 14 14 ALA HA H 14 4.580 4.671 -0.091 1
1 42 . 9 1 1 A 14 14 ALA C C 14 175.619 175.946 -0.327 1
1 43 . 9 1 1 A 14 14 ALA CA C 14 50.607 50.572 0.035 1
1 44 . 9 1 1 A 14 14 ALA CB C 14 18.031 18.484 -0.453 1
1 45 . 9 1 1 A 14 14 ALA N N 14 127.291 126.011 1.280 1
1 46 . 9 1 1 A 15 15 PRO HA H 15 4.399 4.602 -0.203 1
1 49 . 9 1 1 A 15 15 PRO C C 15 177.086 176.500 0.586 1
1 50 . 9 1 1 A 15 15 PRO CA C 15 63.294 62.451 0.843 1
1 51 . 9 1 1 A 15 15 PRO CB C 15 31.988 32.366 -0.378 1
1 52 . 9 1 1 A 16 16 GLU H H 16 8.656 8.548 0.108 1
1 53 . 9 1 1 A 16 16 GLU HA H 16 4.306 4.302 0.004 1
1 56 . 9 1 1 A 16 16 GLU C C 16 176.897 176.118 0.779 1
1 57 . 9 1 1 A 16 16 GLU CA C 16 56.771 56.240 0.531 1
1 58 . 9 1 1 A 16 16 GLU CB C 16 30.209 30.528 -0.319 1
1 59 . 9 1 1 A 16 16 GLU N N 16 120.957 121.907 -0.950 1
1 60 . 9 1 1 A 17 17 THR H H 17 8.202 8.179 0.023 1
1 61 . 9 1 1 A 17 17 THR HA H 17 4.336 4.348 -0.012 1
1 66 . 9 1 1 A 17 17 THR C C 17 174.612 173.158 1.454 1
1 67 . 9 1 1 A 17 17 THR CA C 17 61.981 63.081 -1.100 1
1 68 . 9 1 1 A 17 17 THR CB C 17 69.928 69.643 0.285 1
1 70 . 9 1 1 A 17 17 THR N N 17 115.763 119.877 -4.114 1
1 71 . 9 1 1 A 18 18 LYS H H 18 8.373 8.499 -0.126 1
1 72 . 9 1 1 A 18 18 LYS HA H 18 4.365 4.942 -0.577 1
1 81 . 9 1 1 A 18 18 LYS C C 18 176.509 175.065 1.444 1
1 82 . 9 1 1 A 18 18 LYS CA C 18 56.348 54.506 1.842 1
1 83 . 9 1 1 A 18 18 LYS CB C 18 33.051 34.972 -1.921 1
1 87 . 9 1 1 A 18 18 LYS N N 18 123.975 127.025 -3.050 1
1 88 . 9 1 1 A 19 19 GLN H H 19 8.387 8.777 -0.390 1
1 89 . 9 1 1 A 19 19 GLN HA H 19 4.378 4.707 -0.329 1
1 96 . 9 1 1 A 19 19 GLN C C 19 175.630 175.069 0.561 1
1 97 . 9 1 1 A 19 19 GLN CA C 19 55.614 54.429 1.185 1
1 98 . 9 1 1 A 19 19 GLN CB C 19 29.749 30.549 -0.800 1
1 100 . 9 1 1 A 19 19 GLN N N 19 121.480 126.278 -4.798 1
1 102 . 9 1 1 A 20 20 ALA H H 20 8.505 8.928 -0.423 1
1 103 . 9 1 1 A 20 20 ALA HA H 20 4.449 5.324 -0.875 1
1 107 . 9 1 1 A 20 20 ALA C C 20 177.361 176.575 0.786 1
1 108 . 9 1 1 A 20 20 ALA CA C 20 52.165 50.213 1.952 1
1 109 . 9 1 1 A 20 20 ALA CB C 20 19.253 21.037 -1.784 1
1 110 . 9 1 1 A 20 20 ALA N N 20 125.974 123.908 2.066 1
1 111 . 9 1 1 A 21 21 PHE H H 21 8.851 9.103 -0.252 1
1 112 . 9 1 1 A 21 21 PHE HA H 21 4.422 5.062 -0.640 1
1 120 . 9 1 1 A 21 21 PHE C C 21 176.063 174.794 1.269 1
1 121 . 9 1 1 A 21 21 PHE CA C 21 56.142 56.429 -0.287 1
1 122 . 9 1 1 A 21 21 PHE CB C 21 39.867 39.487 0.380 1
1 128 . 9 1 1 A 21 21 PHE N N 21 124.486 121.901 2.585 1
1 129 . 9 1 1 A 22 22 PRO HA H 22 4.856 4.868 -0.012 1
1 136 . 9 1 1 A 22 22 PRO C C 22 174.848 177.197 -2.349 1
1 137 . 9 1 1 A 22 22 PRO CA C 22 62.078 62.494 -0.416 1
1 138 . 9 1 1 A 22 22 PRO CB C 22 28.563 30.934 -2.371 1
1 141 . 9 1 1 A 23 23 ARG H H 23 8.356 8.642 -0.286 1
1 142 . 9 1 1 A 23 23 ARG HA H 23 3.650 4.012 -0.362 1
1 149 . 9 1 1 A 23 23 ARG C C 23 176.762 178.309 -1.547 1
1 150 . 9 1 1 A 23 23 ARG CA C 23 60.448 58.895 1.553 1
1 151 . 9 1 1 A 23 23 ARG CB C 23 31.422 29.668 1.754 1
1 154 . 9 1 1 A 23 23 ARG N N 23 126.815 124.091 2.724 1
1 155 . 9 1 1 A 24 24 LYS H H 24 8.555 8.046 0.509 1
1 156 . 9 1 1 A 24 24 LYS HA H 24 3.926 4.019 -0.093 1
1 165 . 9 1 1 A 24 24 LYS C C 24 179.506 178.246 1.260 1
1 166 . 9 1 1 A 24 24 LYS CA C 24 59.888 58.449 1.439 1
1 167 . 9 1 1 A 24 24 LYS CB C 24 31.782 32.200 -0.418 1
1 171 . 9 1 1 A 24 24 LYS N N 24 116.573 118.697 -2.124 1
1 172 . 9 1 1 A 25 25 PHE H H 25 7.575 7.621 -0.046 1
1 173 . 9 1 1 A 25 25 PHE HA H 25 4.487 4.424 0.063 1
1 181 . 9 1 1 A 25 25 PHE C C 25 177.447 178.030 -0.583 1
1 182 . 9 1 1 A 25 25 PHE CA C 25 59.779 60.581 -0.802 1
1 183 . 9 1 1 A 25 25 PHE CB C 25 38.791 39.631 -0.840 1
1 189 . 9 1 1 A 25 25 PHE N N 25 118.123 117.751 0.372 1
1 190 . 9 1 1 A 26 26 VAL H H 26 8.024 8.455 -0.431 1
1 191 . 9 1 1 A 26 26 VAL HA H 26 3.608 3.654 -0.046 1
1 199 . 9 1 1 A 26 26 VAL C C 26 177.770 178.318 -0.548 1
1 200 . 9 1 1 A 26 26 VAL CA C 26 66.473 66.933 -0.460 1
1 201 . 9 1 1 A 26 26 VAL CB C 26 31.408 31.601 -0.193 1
1 204 . 9 1 1 A 26 26 VAL N N 26 117.081 119.450 -2.369 1
1 205 . 9 1 1 A 27 27 LEU H H 27 8.220 8.552 -0.332 1
1 206 . 9 1 1 A 27 27 LEU HA H 27 4.234 4.122 0.112 1
1 216 . 9 1 1 A 27 27 LEU C C 27 180.010 179.463 0.547 1
1 217 . 9 1 1 A 27 27 LEU CA C 27 57.864 57.809 0.055 1
1 218 . 9 1 1 A 27 27 LEU CB C 27 40.488 40.810 -0.322 1
1 222 . 9 1 1 A 27 27 LEU N N 27 118.748 117.836 0.912 1
1 223 . 9 1 1 A 28 28 ALA H H 28 8.014 8.337 -0.323 1
1 224 . 9 1 1 A 28 28 ALA HA H 28 4.289 4.007 0.282 1
1 228 . 9 1 1 A 28 28 ALA C C 28 179.951 180.081 -0.130 1
1 229 . 9 1 1 A 28 28 ALA CA C 28 55.110 55.360 -0.250 1
1 230 . 9 1 1 A 28 28 ALA CB C 28 17.970 17.914 0.056 1
1 231 . 9 1 1 A 28 28 ALA N N 28 124.088 121.553 2.535 1
1 232 . 9 1 1 A 29 29 ALA H H 29 8.259 7.897 0.362 1
1 233 . 9 1 1 A 29 29 ALA HA H 29 3.942 4.516 -0.574 1
1 237 . 9 1 1 A 29 29 ALA C C 29 180.505 180.389 0.116 1
1 238 . 9 1 1 A 29 29 ALA CA C 29 54.976 55.282 -0.306 1
1 239 . 9 1 1 A 29 29 ALA CB C 29 17.923 18.436 -0.513 1
1 240 . 9 1 1 A 29 29 ALA N N 29 120.431 121.188 -0.757 1
1 241 . 9 1 1 A 30 30 LEU H H 30 8.098 8.310 -0.212 1
1 242 . 9 1 1 A 30 30 LEU HA H 30 4.007 4.343 -0.336 1
1 252 . 9 1 1 A 30 30 LEU C C 30 178.315 178.319 -0.004 1
1 253 . 9 1 1 A 30 30 LEU CA C 30 58.096 58.208 -0.112 1
1 254 . 9 1 1 A 30 30 LEU CB C 30 41.486 41.690 -0.204 1
1 258 . 9 1 1 A 30 30 LEU N N 30 120.849 120.808 0.041 1
1 259 . 9 1 1 A 31 31 GLU H H 31 8.115 8.808 -0.693 1
1 260 . 9 1 1 A 31 31 GLU HA H 31 3.967 4.013 -0.046 1
1 265 . 9 1 1 A 31 31 GLU C C 31 179.473 178.031 1.442 1
1 266 . 9 1 1 A 31 31 GLU CA C 31 59.683 59.251 0.432 1
1 267 . 9 1 1 A 31 31 GLU CB C 31 29.402 29.137 0.265 1
1 269 . 9 1 1 A 31 31 GLU N N 31 120.752 117.432 3.320 1
1 270 . 9 1 1 A 32 32 GLN H H 32 7.812 7.763 0.049 1
1 271 . 9 1 1 A 32 32 GLN HA H 32 4.001 4.113 -0.112 1
1 278 . 9 1 1 A 32 32 GLN C C 32 176.519 176.509 0.010 1
1 279 . 9 1 1 A 32 32 GLN CA C 32 57.576 57.952 -0.376 1
1 280 . 9 1 1 A 32 32 GLN CB C 32 29.108 28.433 0.675 1
1 282 . 9 1 1 A 32 32 GLN N N 32 114.711 119.100 -4.389 1
1 284 . 9 1 1 A 33 33 SER H H 33 7.460 7.639 -0.179 1
1 285 . 9 1 1 A 33 33 SER HA H 33 4.257 4.428 -0.171 1
1 288 . 9 1 1 A 33 33 SER C C 33 174.508 174.268 0.240 1
1 289 . 9 1 1 A 33 33 SER CA C 33 58.504 58.506 -0.002 1
1 290 . 9 1 1 A 33 33 SER CB C 33 65.131 64.134 0.997 1
1 291 . 9 1 1 A 33 33 SER N N 33 110.604 115.128 -4.524 1
1 292 . 9 1 1 A 34 34 SER H H 34 7.429 7.463 -0.034 1
1 293 . 9 1 1 A 34 34 SER HA H 34 4.468 4.483 -0.015 1
1 296 . 9 1 1 A 34 34 SER C C 34 174.588 174.449 0.139 1
1 297 . 9 1 1 A 34 34 SER CA C 34 58.556 59.063 -0.507 1
1 298 . 9 1 1 A 34 34 SER CB C 34 65.278 63.922 1.356 1
1 299 . 9 1 1 A 34 34 SER N N 34 117.544 116.968 0.576 1
1 300 . 9 1 1 A 35 35 ASP H H 35 8.822 9.180 -0.358 1
1 301 . 9 1 1 A 35 35 ASP HA H 35 4.778 4.846 -0.068 1
1 304 . 9 1 1 A 35 35 ASP C C 35 178.268 177.501 0.767 1
1 305 . 9 1 1 A 35 35 ASP CA C 35 52.849 53.910 -1.061 1
1 306 . 9 1 1 A 35 35 ASP CB C 35 41.314 42.161 -0.847 1
1 307 . 9 1 1 A 35 35 ASP N N 35 121.575 123.616 -2.041 1
1 308 . 9 1 1 A 36 36 ASP H H 36 8.483 8.973 -0.490 1
1 309 . 9 1 1 A 36 36 ASP HA H 36 4.414 4.260 0.154 1
1 312 . 9 1 1 A 36 36 ASP C C 36 176.670 177.022 -0.352 1
1 313 . 9 1 1 A 36 36 ASP CA C 36 56.605 57.336 -0.731 1
1 314 . 9 1 1 A 36 36 ASP CB C 36 40.286 40.418 -0.132 1
1 315 . 9 1 1 A 36 36 ASP N N 36 117.398 122.499 -5.101 1
1 316 . 9 1 1 A 37 37 ALA H H 37 8.242 7.590 0.652 1
1 317 . 9 1 1 A 37 37 ALA HA H 37 4.532 4.385 0.147 1
1 321 . 9 1 1 A 37 37 ALA C C 37 177.407 177.810 -0.403 1
1 322 . 9 1 1 A 37 37 ALA CA C 37 51.677 52.042 -0.365 1
1 323 . 9 1 1 A 37 37 ALA CB C 37 19.774 19.366 0.408 1
1 324 . 9 1 1 A 37 37 ALA N N 37 122.052 118.700 3.352 1
1 325 . 9 1 1 A 38 38 GLY H H 38 8.155 8.423 -0.268 1
1 326 . 9 1 1 A 38 38 GLY HA2 H 38 3.624 3.767 -0.143 1
1 327 . 9 1 1 A 38 38 GLY HA3 H 38 4.080 3.846 0.234 1
1 328 . 9 1 1 A 38 38 GLY C C 38 173.417 174.029 -0.612 1
1 329 . 9 1 1 A 38 38 GLY CA C 38 45.093 45.529 -0.436 1
1 330 . 9 1 1 A 38 38 GLY N N 38 107.721 106.737 0.984 1
1 331 . 9 1 1 A 39 39 TRP H H 39 8.449 7.884 0.565 1
1 332 . 9 1 1 A 39 39 TRP HA H 39 5.054 4.886 0.168 1
1 341 . 9 1 1 A 39 39 TRP C C 39 176.577 175.539 1.038 1
1 342 . 9 1 1 A 39 39 TRP CA C 39 56.596 57.084 -0.488 1
1 343 . 9 1 1 A 39 39 TRP CB C 39 32.184 31.545 0.639 1
1 349 . 9 1 1 A 39 39 TRP N N 39 119.797 120.789 -0.992 1
1 351 . 9 1 1 A 40 40 ALA H H 40 9.855 9.302 0.553 1
1 352 . 9 1 1 A 40 40 ALA HA H 40 5.099 5.302 -0.203 1
1 356 . 9 1 1 A 40 40 ALA C C 40 176.165 176.010 0.155 1
1 357 . 9 1 1 A 40 40 ALA CA C 40 50.202 50.169 0.033 1
1 358 . 9 1 1 A 40 40 ALA CB C 40 23.153 21.869 1.284 1
1 359 . 9 1 1 A 40 40 ALA N N 40 124.618 125.213 -0.595 1
1 360 . 9 1 1 A 41 41 ASN H H 41 8.794 8.630 0.164 1
1 361 . 9 1 1 A 41 41 ASN HA H 41 3.771 4.339 -0.568 1
1 366 . 9 1 1 A 41 41 ASN C C 41 175.824 176.236 -0.412 1
1 367 . 9 1 1 A 41 41 ASN CA C 41 52.724 53.132 -0.408 1
1 368 . 9 1 1 A 41 41 ASN CB C 41 39.927 39.869 0.058 1
1 369 . 9 1 1 A 41 41 ASN N N 41 121.050 120.785 0.265 1
1 371 . 9 1 1 A 42 42 LEU H H 42 8.493 8.500 -0.007 1
1 372 . 9 1 1 A 42 42 LEU HA H 42 3.834 4.075 -0.241 1
1 382 . 9 1 1 A 42 42 LEU C C 42 178.256 179.050 -0.794 1
1 383 . 9 1 1 A 42 42 LEU CA C 42 58.859 58.366 0.493 1
1 384 . 9 1 1 A 42 42 LEU CB C 42 42.233 41.962 0.271 1
1 388 . 9 1 1 A 42 42 LEU N N 42 126.418 128.977 -2.559 1
1 389 . 9 1 1 A 43 43 GLY H H 43 8.440 8.065 0.375 1
1 390 . 9 1 1 A 43 43 GLY HA2 H 43 3.912 3.761 0.151 1
1 391 . 9 1 1 A 43 43 GLY HA3 H 43 3.822 3.775 0.047 1
1 392 . 9 1 1 A 43 43 GLY C C 43 176.344 176.268 0.076 1
1 393 . 9 1 1 A 43 43 GLY CA C 43 47.070 47.425 -0.355 1
1 394 . 9 1 1 A 43 43 GLY N N 43 106.800 106.613 0.187 1
1 395 . 9 1 1 A 44 44 ASN H H 44 7.916 7.712 0.204 1
1 396 . 9 1 1 A 44 44 ASN HA H 44 4.472 4.499 -0.027 1
1 401 . 9 1 1 A 44 44 ASN C C 44 177.888 177.773 0.115 1
1 402 . 9 1 1 A 44 44 ASN CA C 44 56.004 55.724 0.280 1
1 403 . 9 1 1 A 44 44 ASN CB C 44 38.316 38.282 0.034 1
1 404 . 9 1 1 A 44 44 ASN N N 44 121.472 120.312 1.160 1
1 406 . 9 1 1 A 45 45 PHE H H 45 8.563 8.380 0.183 1
1 407 . 9 1 1 A 45 45 PHE HA H 45 4.498 4.281 0.217 1
1 415 . 9 1 1 A 45 45 PHE C C 45 176.732 178.069 -1.337 1
1 416 . 9 1 1 A 45 45 PHE CA C 45 60.350 60.462 -0.112 1
1 417 . 9 1 1 A 45 45 PHE CB C 45 38.824 39.250 -0.426 1
1 423 . 9 1 1 A 45 45 PHE N N 45 121.835 122.212 -0.377 1
1 424 . 9 1 1 A 46 46 GLY H H 46 8.933 8.693 0.240 1
1 425 . 9 1 1 A 46 46 GLY HA2 H 46 3.820 3.389 0.431 1
1 426 . 9 1 1 A 46 46 GLY HA3 H 46 3.186 3.633 -0.447 1
1 427 . 9 1 1 A 46 46 GLY C C 46 176.053 175.517 0.536 1
1 428 . 9 1 1 A 46 46 GLY CA C 46 47.171 46.877 0.294 1
1 429 . 9 1 1 A 46 46 GLY N N 46 106.269 106.542 -0.273 1
1 430 . 9 1 1 A 47 47 ASN H H 47 7.812 7.761 0.051 1
1 431 . 9 1 1 A 47 47 ASN HA H 47 4.470 4.474 -0.004 1
1 436 . 9 1 1 A 47 47 ASN C C 47 178.087 177.062 1.025 1
1 437 . 9 1 1 A 47 47 ASN CA C 47 55.974 55.983 -0.009 1
1 438 . 9 1 1 A 47 47 ASN CB C 47 38.149 38.772 -0.623 1
1 439 . 9 1 1 A 47 47 ASN N N 47 120.030 120.037 -0.007 1
1 441 . 9 1 1 A 48 48 TYR H H 48 8.093 8.325 -0.232 1
1 442 . 9 1 1 A 48 48 TYR HA H 48 4.007 4.122 -0.115 1
1 449 . 9 1 1 A 48 48 TYR C C 48 178.310 177.438 0.872 1
1 450 . 9 1 1 A 48 48 TYR CA C 48 62.527 61.049 1.478 1
1 451 . 9 1 1 A 48 48 TYR CB C 48 38.254 38.779 -0.525 1
1 456 . 9 1 1 A 48 48 TYR N N 48 121.030 119.968 1.062 1
1 457 . 9 1 1 A 49 49 LEU H H 49 8.480 8.236 0.244 1
1 458 . 9 1 1 A 49 49 LEU HA H 49 3.624 3.867 -0.243 1
1 468 . 9 1 1 A 49 49 LEU C C 49 177.653 178.335 -0.682 1
1 469 . 9 1 1 A 49 49 LEU CA C 49 58.321 58.146 0.175 1
1 470 . 9 1 1 A 49 49 LEU CB C 49 41.046 41.381 -0.335 1
1 474 . 9 1 1 A 49 49 LEU N N 49 121.024 121.085 -0.061 1
1 475 . 9 1 1 A 50 50 ASN H H 50 7.564 7.798 -0.234 1
1 476 . 9 1 1 A 50 50 ASN HA H 50 4.493 4.595 -0.102 1
1 481 . 9 1 1 A 50 50 ASN C C 50 176.498 177.486 -0.988 1
1 482 . 9 1 1 A 50 50 ASN CA C 50 55.479 55.929 -0.450 1
1 483 . 9 1 1 A 50 50 ASN CB C 50 39.302 39.078 0.224 1
1 484 . 9 1 1 A 50 50 ASN N N 50 114.582 116.879 -2.297 1
1 486 . 9 1 1 A 51 51 LYS H H 51 7.370 7.362 0.008 1
1 487 . 9 1 1 A 51 51 LYS HA H 51 3.990 3.949 0.041 1
1 496 . 9 1 1 A 51 51 LYS C C 51 178.403 178.138 0.265 1
1 497 . 9 1 1 A 51 51 LYS CA C 51 58.512 58.541 -0.029 1
1 498 . 9 1 1 A 51 51 LYS CB C 51 32.245 31.793 0.452 1
1 502 . 9 1 1 A 51 51 LYS N N 51 118.289 118.579 -0.290 1
1 503 . 9 1 1 A 52 52 LEU H H 52 7.518 7.501 0.017 1
1 504 . 9 1 1 A 52 52 LEU HA H 52 4.085 4.144 -0.059 1
1 514 . 9 1 1 A 52 52 LEU C C 52 177.924 176.698 1.226 1
1 515 . 9 1 1 A 52 52 LEU CA C 52 56.424 56.176 0.248 1
1 516 . 9 1 1 A 52 52 LEU CB C 52 42.952 43.579 -0.627 1
1 520 . 9 1 1 A 52 52 LEU N N 52 117.841 117.264 0.577 1
1 521 . 9 1 1 A 53 53 GLN H H 53 8.438 8.046 0.392 1
1 522 . 9 1 1 A 53 53 GLN HA H 53 4.583 4.667 -0.084 1
1 529 . 9 1 1 A 53 53 GLN C C 53 172.039 174.137 -2.098 1
1 530 . 9 1 1 A 53 53 GLN CA C 53 52.780 53.629 -0.849 1
1 531 . 9 1 1 A 53 53 GLN CB C 53 29.902 29.128 0.774 1
1 533 . 9 1 1 A 53 53 GLN N N 53 118.578 117.906 0.672 1
1 535 . 9 1 1 A 54 54 PRO HA H 54 4.718 4.436 0.282 1
1 542 . 9 1 1 A 54 54 PRO C C 54 177.295 177.553 -0.258 1
1 543 . 9 1 1 A 54 54 PRO CA C 54 64.754 64.430 0.324 1
1 544 . 9 1 1 A 54 54 PRO CB C 54 31.924 31.866 0.058 1
1 547 . 9 1 1 A 55 55 ASP H H 55 8.349 8.377 -0.028 1
1 548 . 9 1 1 A 55 55 ASP HA H 55 4.596 4.499 0.097 1
1 551 . 9 1 1 A 55 55 ASP C C 55 176.361 176.789 -0.428 1
1 552 . 9 1 1 A 55 55 ASP CA C 55 53.467 56.215 -2.748 1
1 553 . 9 1 1 A 55 55 ASP CB C 55 40.050 40.537 -0.487 1
1 554 . 9 1 1 A 55 55 ASP N N 55 114.766 116.780 -2.014 1
1 555 . 9 1 1 A 56 56 PHE H H 56 8.187 7.862 0.325 1
1 556 . 9 1 1 A 56 56 PHE HA H 56 4.055 4.807 -0.752 1
1 564 . 9 1 1 A 56 56 PHE C C 56 175.257 174.380 0.877 1
1 565 . 9 1 1 A 56 56 PHE CA C 56 61.149 56.668 4.481 1
1 566 . 9 1 1 A 56 56 PHE CB C 56 38.680 39.044 -0.364 1
1 572 . 9 1 1 A 56 56 PHE N N 56 122.323 120.658 1.665 1
1 573 . 9 1 1 A 57 57 ASP H H 57 6.887 8.674 -1.787 1
1 574 . 9 1 1 A 57 57 ASP HA H 57 4.670 5.022 -0.352 1
1 577 . 9 1 1 A 57 57 ASP C C 57 176.308 176.408 -0.100 1
1 578 . 9 1 1 A 57 57 ASP CA C 57 52.895 52.900 -0.005 1
1 579 . 9 1 1 A 57 57 ASP CB C 57 42.942 43.327 -0.385 1
1 580 . 9 1 1 A 57 57 ASP N N 57 127.342 128.406 -1.064 1
1 581 . 9 1 1 A 58 58 SER H H 58 9.284 9.133 0.151 1
1 582 . 9 1 1 A 58 58 SER HA H 58 3.991 4.086 -0.095 1
1 585 . 9 1 1 A 58 58 SER C C 58 176.248 176.876 -0.628 1
1 586 . 9 1 1 A 58 58 SER CA C 58 63.050 61.685 1.365 1
1 587 . 9 1 1 A 58 58 SER CB C 58 63.339 63.182 0.157 1
1 588 . 9 1 1 A 58 58 SER N N 58 123.478 121.294 2.184 1
1 589 . 9 1 1 A 59 59 ARG H H 59 8.639 7.611 1.028 1
1 590 . 9 1 1 A 59 59 ARG HA H 59 4.073 4.174 -0.101 1
1 597 . 9 1 1 A 59 59 ARG C C 59 180.693 178.511 2.182 1
1 598 . 9 1 1 A 59 59 ARG CA C 59 58.787 58.744 0.043 1
1 599 . 9 1 1 A 59 59 ARG CB C 59 29.824 29.994 -0.170 1
1 602 . 9 1 1 A 59 59 ARG N N 59 123.207 122.072 1.135 1
1 603 . 9 1 1 A 60 60 LEU H H 60 7.460 7.502 -0.042 1
1 604 . 9 1 1 A 60 60 LEU HA H 60 3.841 4.059 -0.218 1
1 614 . 9 1 1 A 60 60 LEU C C 60 177.018 177.394 -0.376 1
1 615 . 9 1 1 A 60 60 LEU CA C 60 56.556 56.865 -0.309 1
1 616 . 9 1 1 A 60 60 LEU CB C 60 41.013 41.364 -0.351 1
1 620 . 9 1 1 A 60 60 LEU N N 60 120.191 118.844 1.347 1
1 621 . 9 1 1 A 61 61 TYR H H 61 7.200 7.761 -0.561 1
1 622 . 9 1 1 A 61 61 TYR HA H 61 4.781 4.684 0.097 1
1 629 . 9 1 1 A 61 61 TYR C C 61 175.303 175.714 -0.411 1
1 630 . 9 1 1 A 61 61 TYR CA C 61 56.371 57.812 -1.441 1
1 631 . 9 1 1 A 61 61 TYR CB C 61 38.825 38.862 -0.037 1
1 636 . 9 1 1 A 61 61 TYR N N 61 114.720 116.735 -2.015 1
1 637 . 9 1 1 A 62 62 GLY H H 62 7.354 7.756 -0.402 1
1 638 . 9 1 1 A 62 62 GLY HA2 H 62 3.968 3.919 0.049 1
1 639 . 9 1 1 A 62 62 GLY HA3 H 62 3.552 3.950 -0.398 1
1 640 . 9 1 1 A 62 62 GLY C C 62 173.542 174.349 -0.807 1
1 641 . 9 1 1 A 62 62 GLY CA C 62 44.889 45.967 -1.078 1
1 642 . 9 1 1 A 62 62 GLY N N 62 104.100 109.010 -4.910 1
1 643 . 9 1 1 A 63 63 TYR H H 63 7.377 7.677 -0.300 1
1 644 . 9 1 1 A 63 63 TYR HA H 63 4.937 4.573 0.364 1
1 651 . 9 1 1 A 63 63 TYR C C 63 175.675 176.305 -0.630 1
1 652 . 9 1 1 A 63 63 TYR CA C 63 56.902 58.224 -1.322 1
1 653 . 9 1 1 A 63 63 TYR CB C 63 42.609 39.771 2.838 1
1 658 . 9 1 1 A 63 63 TYR N N 63 117.874 119.697 -1.823 1
1 659 . 9 1 1 A 64 64 LYS H H 64 9.403 8.930 0.473 1
1 660 . 9 1 1 A 64 64 LYS HA H 64 3.914 4.289 -0.375 1
1 669 . 9 1 1 A 64 64 LYS C C 64 176.334 176.783 -0.449 1
1 670 . 9 1 1 A 64 64 LYS CA C 64 59.534 58.578 0.956 1
1 671 . 9 1 1 A 64 64 LYS CB C 64 32.892 33.145 -0.253 1
1 675 . 9 1 1 A 64 64 LYS N N 64 123.946 123.106 0.840 1
1 676 . 9 1 1 A 65 65 LYS H H 65 7.635 7.576 0.059 1
1 677 . 9 1 1 A 65 65 LYS HA H 65 4.787 4.725 0.062 1
1 686 . 9 1 1 A 65 65 LYS C C 65 177.231 176.514 0.717 1
1 687 . 9 1 1 A 65 65 LYS CA C 65 54.089 54.971 -0.882 1
1 688 . 9 1 1 A 65 65 LYS CB C 65 35.722 35.292 0.430 1
1 692 . 9 1 1 A 65 65 LYS N N 65 112.461 114.476 -2.015 1
1 693 . 9 1 1 A 66 66 LEU H H 66 9.090 8.812 0.278 1
1 694 . 9 1 1 A 66 66 LEU HA H 66 4.240 4.092 0.148 1
1 704 . 9 1 1 A 66 66 LEU C C 66 178.820 178.207 0.613 1
1 705 . 9 1 1 A 66 66 LEU CA C 66 58.129 58.149 -0.020 1
1 706 . 9 1 1 A 66 66 LEU CB C 66 41.476 41.345 0.131 1
1 710 . 9 1 1 A 66 66 LEU N N 66 124.584 121.735 2.849 1
1 711 . 9 1 1 A 67 67 SER H H 67 8.867 8.348 0.519 1
1 712 . 9 1 1 A 67 67 SER HA H 67 3.697 4.165 -0.468 1
1 715 . 9 1 1 A 67 67 SER C C 67 175.588 176.530 -0.942 1
1 716 . 9 1 1 A 67 67 SER CA C 67 61.518 61.303 0.215 1
1 717 . 9 1 1 A 67 67 SER CB C 67 61.537 62.365 -0.828 1
1 718 . 9 1 1 A 67 67 SER N N 67 112.095 114.265 -2.170 1
1 719 . 9 1 1 A 68 68 ASP H H 68 6.783 7.876 -1.093 1
1 720 . 9 1 1 A 68 68 ASP HA H 68 4.356 4.440 -0.084 1
1 723 . 9 1 1 A 68 68 ASP C C 68 177.827 178.261 -0.434 1
1 724 . 9 1 1 A 68 68 ASP CA C 68 57.170 57.193 -0.023 1
1 725 . 9 1 1 A 68 68 ASP CB C 68 41.380 41.110 0.270 1
1 726 . 9 1 1 A 68 68 ASP N N 68 119.720 121.313 -1.593 1
1 727 . 9 1 1 A 69 69 LEU H H 69 7.153 7.618 -0.465 1
1 728 . 9 1 1 A 69 69 LEU HA H 69 2.561 3.305 -0.744 1
1 738 . 9 1 1 A 69 69 LEU C C 69 177.830 178.532 -0.702 1
1 739 . 9 1 1 A 69 69 LEU CA C 69 58.843 57.945 0.898 1
1 740 . 9 1 1 A 69 69 LEU CB C 69 42.203 41.248 0.955 1
1 744 . 9 1 1 A 69 69 LEU N N 69 122.181 120.621 1.560 1
1 745 . 9 1 1 A 70 70 VAL H H 70 8.167 8.252 -0.085 1
1 746 . 9 1 1 A 70 70 VAL HA H 70 3.509 3.599 -0.090 1
1 754 . 9 1 1 A 70 70 VAL C C 70 177.695 178.097 -0.402 1
1 755 . 9 1 1 A 70 70 VAL CA C 70 65.582 67.022 -1.440 1
1 756 . 9 1 1 A 70 70 VAL CB C 70 31.409 31.579 -0.170 1
1 759 . 9 1 1 A 70 70 VAL N N 70 116.117 119.234 -3.117 1
1 760 . 9 1 1 A 71 71 LYS H H 71 7.665 8.009 -0.344 1
1 761 . 9 1 1 A 71 71 LYS HA H 71 3.854 4.107 -0.253 1
1 770 . 9 1 1 A 71 71 LYS C C 71 177.406 178.649 -1.243 1
1 771 . 9 1 1 A 71 71 LYS CA C 71 59.175 58.790 0.385 1
1 772 . 9 1 1 A 71 71 LYS CB C 71 32.804 31.502 1.302 1
1 776 . 9 1 1 A 71 71 LYS N N 71 116.326 120.081 -3.755 1
1 777 . 9 1 1 A 72 72 ALA H H 72 7.506 7.548 -0.042 1
1 778 . 9 1 1 A 72 72 ALA HA H 72 4.391 4.275 0.116 1
1 782 . 9 1 1 A 72 72 ALA C C 72 180.756 178.621 2.135 1
1 783 . 9 1 1 A 72 72 ALA CA C 72 53.691 54.530 -0.839 1
1 784 . 9 1 1 A 72 72 ALA CB C 72 20.243 18.898 1.345 1
1 785 . 9 1 1 A 72 72 ALA N N 72 118.313 121.380 -3.067 1
1 786 . 9 1 1 A 73 73 ARG H H 73 7.603 7.609 -0.006 1
1 787 . 9 1 1 A 73 73 ARG HA H 73 4.872 4.685 0.187 1
1 795 . 9 1 1 A 73 73 ARG C C 73 177.558 176.774 0.784 1
1 796 . 9 1 1 A 73 73 ARG CA C 73 51.230 54.991 -3.761 1
1 797 . 9 1 1 A 73 73 ARG CB C 73 25.568 29.955 -4.387 1
1 800 . 9 1 1 A 73 73 ARG N N 73 118.690 115.942 2.748 1
1 802 . 9 1 1 A 74 74 THR H H 74 8.261 7.965 0.296 1
1 803 . 9 1 1 A 74 74 THR HA H 74 4.552 4.526 0.026 1
1 808 . 9 1 1 A 74 74 THR C C 74 174.706 175.913 -1.207 1
1 809 . 9 1 1 A 74 74 THR CA C 74 62.876 64.642 -1.766 1
1 810 . 9 1 1 A 74 74 THR CB C 74 68.716 68.473 0.243 1
1 812 . 9 1 1 A 74 74 THR N N 74 115.950 113.112 2.838 1
1 813 . 9 1 1 A 75 75 ASP H H 75 9.542 8.199 1.343 1
1 814 . 9 1 1 A 75 75 ASP HA H 75 4.310 4.279 0.031 1
1 817 . 9 1 1 A 75 75 ASP C C 75 175.958 177.328 -1.370 1
1 818 . 9 1 1 A 75 75 ASP CA C 75 54.476 57.236 -2.760 1
1 819 . 9 1 1 A 75 75 ASP CB C 75 38.969 42.163 -3.194 1
1 820 . 9 1 1 A 75 75 ASP N N 75 116.582 121.795 -5.213 1
1 821 . 9 1 1 A 76 76 LEU H H 76 7.078 7.403 -0.325 1
1 822 . 9 1 1 A 76 76 LEU HA H 76 4.225 4.053 0.172 1
1 832 . 9 1 1 A 76 76 LEU C C 76 177.244 176.128 1.116 1
1 833 . 9 1 1 A 76 76 LEU CA C 76 55.349 55.618 -0.269 1
1 834 . 9 1 1 A 76 76 LEU CB C 76 43.508 43.219 0.289 1
1 838 . 9 1 1 A 76 76 LEU N N 76 117.639 117.064 0.575 1
1 839 . 9 1 1 A 77 77 PHE H H 77 7.977 7.394 0.583 1
1 840 . 9 1 1 A 77 77 PHE HA H 77 5.648 5.041 0.607 1
1 848 . 9 1 1 A 77 77 PHE C C 77 175.868 174.814 1.054 1
1 849 . 9 1 1 A 77 77 PHE CA C 77 54.878 56.296 -1.418 1
1 850 . 9 1 1 A 77 77 PHE CB C 77 42.833 41.913 0.920 1
1 856 . 9 1 1 A 77 77 PHE N N 77 115.989 115.437 0.552 1
1 857 . 9 1 1 A 78 78 VAL H H 78 8.863 9.090 -0.227 1
1 858 . 9 1 1 A 78 78 VAL HA H 78 4.425 4.528 -0.103 1
1 866 . 9 1 1 A 78 78 VAL C C 78 175.288 175.718 -0.430 1
1 867 . 9 1 1 A 78 78 VAL CA C 78 61.575 62.117 -0.542 1
1 868 . 9 1 1 A 78 78 VAL CB C 78 33.988 31.836 2.152 1
1 871 . 9 1 1 A 78 78 VAL N N 78 123.339 123.631 -0.292 1
1 872 . 9 1 1 A 79 79 THR H H 79 8.305 9.054 -0.749 1
1 873 . 9 1 1 A 79 79 THR HA H 79 5.882 5.581 0.301 1
1 878 . 9 1 1 A 79 79 THR C C 79 174.566 173.893 0.673 1
1 879 . 9 1 1 A 79 79 THR CA C 79 59.476 60.552 -1.076 1
1 880 . 9 1 1 A 79 79 THR CB C 79 73.090 70.811 2.279 1
1 882 . 9 1 1 A 79 79 THR N N 79 113.057 119.498 -6.441 1
1 883 . 9 1 1 A 80 80 GLU H H 80 8.962 8.731 0.231 1
1 884 . 9 1 1 A 80 80 GLU HA H 80 4.589 4.910 -0.321 1
1 889 . 9 1 1 A 80 80 GLU C C 80 174.040 175.688 -1.648 1
1 890 . 9 1 1 A 80 80 GLU CA C 80 55.878 55.104 0.774 1
1 891 . 9 1 1 A 80 80 GLU CB C 80 33.399 33.292 0.107 1
1 893 . 9 1 1 A 80 80 GLU N N 80 117.934 122.562 -4.628 1
1 894 . 9 1 1 A 81 81 GLU H H 81 8.687 8.797 -0.110 1
1 895 . 9 1 1 A 81 81 GLU HA H 81 5.213 4.764 0.449 1
1 900 . 9 1 1 A 81 81 GLU C C 81 176.406 175.445 0.961 1
1 901 . 9 1 1 A 81 81 GLU CA C 81 55.186 56.165 -0.979 1
1 902 . 9 1 1 A 81 81 GLU CB C 81 31.544 30.552 0.992 1
1 904 . 9 1 1 A 81 81 GLU N N 81 122.400 123.688 -1.288 1
1 905 . 9 1 1 A 82 82 ARG H H 82 9.118 9.119 -0.001 1
1 906 . 9 1 1 A 82 82 ARG HA H 82 4.635 4.687 -0.052 1
1 914 . 9 1 1 A 82 82 ARG C C 82 175.222 174.873 0.349 1
1 915 . 9 1 1 A 82 82 ARG CA C 82 54.746 54.333 0.413 1
1 916 . 9 1 1 A 82 82 ARG CB C 82 33.719 33.441 0.278 1
1 919 . 9 1 1 A 82 82 ARG N N 82 121.851 124.287 -2.436 1
1 921 . 9 1 1 A 83 83 GLN H H 83 8.642 8.634 0.008 1
1 922 . 9 1 1 A 83 83 GLN HA H 83 4.340 4.596 -0.256 1
1 927 . 9 1 1 A 83 83 GLN C C 83 175.705 175.611 0.094 1
1 928 . 9 1 1 A 83 83 GLN CA C 83 56.094 55.721 0.373 1
1 929 . 9 1 1 A 83 83 GLN CB C 83 29.424 29.765 -0.341 1
1 931 . 9 1 1 A 83 83 GLN N N 83 121.976 123.803 -1.827 1
1 932 . 9 1 1 A 84 84 VAL H H 84 8.818 8.251 0.567 1
1 933 . 9 1 1 A 84 84 VAL HA H 84 4.399 4.525 -0.126 1
1 941 . 9 1 1 A 84 84 VAL C C 84 174.439 174.775 -0.336 1
1 942 . 9 1 1 A 84 84 VAL CA C 84 59.977 59.419 0.558 1
1 943 . 9 1 1 A 84 84 VAL CB C 84 32.948 32.002 0.946 1
1 946 . 9 1 1 A 84 84 VAL N N 84 128.548 126.256 2.292 1
1 947 . 9 1 1 A 85 85 PRO HA H 85 4.313 4.247 0.066 1
1 954 . 9 1 1 A 85 85 PRO C C 85 178.026 177.639 0.387 1
1 955 . 9 1 1 A 85 85 PRO CA C 85 64.139 64.120 0.019 1
1 956 . 9 1 1 A 85 85 PRO CB C 85 31.744 31.629 0.115 1
1 959 . 9 1 1 A 86 86 GLY H H 86 8.815 8.888 -0.073 1
1 960 . 9 1 1 A 86 86 GLY HA2 H 86 3.751 3.907 -0.156 1
1 961 . 9 1 1 A 86 86 GLY HA3 H 86 4.148 3.909 0.239 1
1 962 . 9 1 1 A 86 86 GLY C C 86 173.673 174.144 -0.471 1
1 963 . 9 1 1 A 86 86 GLY CA C 86 45.661 45.157 0.504 1
1 964 . 9 1 1 A 86 86 GLY N N 86 111.839 113.431 -1.592 1
1 965 . 9 1 1 A 87 87 SER H H 87 8.029 7.651 0.378 1
1 966 . 9 1 1 A 87 87 SER HA H 87 4.955 4.637 0.318 1
1 969 . 9 1 1 A 87 87 SER C C 87 174.293 174.031 0.262 1
1 970 . 9 1 1 A 87 87 SER CA C 87 56.119 58.242 -2.123 1
1 971 . 9 1 1 A 87 87 SER CB C 87 65.288 65.197 0.091 1
1 972 . 9 1 1 A 87 87 SER N N 87 114.255 116.668 -2.413 1
1 973 . 9 1 1 A 88 88 THR H H 88 8.366 8.434 -0.068 1
1 974 . 9 1 1 A 88 88 THR HA H 88 4.438 4.323 0.115 1
1 979 . 9 1 1 A 88 88 THR C C 88 175.360 174.228 1.132 1
1 980 . 9 1 1 A 88 88 THR CA C 88 62.103 63.386 -1.283 1
1 981 . 9 1 1 A 88 88 THR CB C 88 69.017 69.262 -0.245 1
1 983 . 9 1 1 A 88 88 THR N N 88 112.921 119.124 -6.203 1
1 984 . 9 1 1 A 89 89 GLN H H 89 8.342 7.562 0.780 1
1 985 . 9 1 1 A 89 89 GLN HA H 89 4.382 4.880 -0.498 1
1 990 . 9 1 1 A 89 89 GLN C C 89 175.462 175.388 0.074 1
1 991 . 9 1 1 A 89 89 GLN CA C 89 55.599 54.570 1.029 1
1 992 . 9 1 1 A 89 89 GLN CB C 89 30.016 30.834 -0.818 1
1 994 . 9 1 1 A 89 89 GLN N N 89 122.086 117.935 4.151 1
1 995 . 9 1 1 A 90 90 LYS H H 90 8.584 8.801 -0.217 1
1 996 . 9 1 1 A 90 90 LYS HA H 90 4.779 5.021 -0.242 1
1 1005 . 9 1 1 A 90 90 LYS C C 90 175.897 175.026 0.871 1
1 1006 . 9 1 1 A 90 90 LYS CA C 90 55.590 55.058 0.532 1
1 1007 . 9 1 1 A 90 90 LYS CB C 90 34.742 34.872 -0.130 1
1 1011 . 9 1 1 A 90 90 LYS N N 90 121.945 119.083 2.862 1
1 1012 . 9 1 1 A 91 91 ALA H H 91 8.975 9.215 -0.240 1
1 1013 . 9 1 1 A 91 91 ALA HA H 91 4.738 5.257 -0.519 1
1 1017 . 9 1 1 A 91 91 ALA C C 91 175.585 175.991 -0.406 1
1 1018 . 9 1 1 A 91 91 ALA CA C 91 50.741 50.066 0.675 1
1 1019 . 9 1 1 A 91 91 ALA CB C 91 22.890 21.270 1.620 1
1 1020 . 9 1 1 A 91 91 ALA N N 91 124.604 124.528 0.076 1
1 1021 . 9 1 1 A 92 92 LEU H H 92 8.523 8.529 -0.006 1
1 1022 . 9 1 1 A 92 92 LEU HA H 92 4.707 4.637 0.070 1
1 1032 . 9 1 1 A 92 92 LEU C C 92 174.752 174.116 0.636 1
1 1033 . 9 1 1 A 92 92 LEU CA C 92 55.285 54.852 0.433 1
1 1034 . 9 1 1 A 92 92 LEU CB C 92 43.267 42.748 0.519 1
1 1038 . 9 1 1 A 92 92 LEU N N 92 123.888 125.178 -1.290 1
1 1039 . 9 1 1 A 93 93 TYR H H 93 9.289 9.123 0.166 1
1 1040 . 9 1 1 A 93 93 TYR HA H 93 5.269 5.289 -0.020 1
1 1047 . 9 1 1 A 93 93 TYR C C 93 174.528 175.610 -1.082 1
1 1048 . 9 1 1 A 93 93 TYR CA C 93 56.505 56.806 -0.301 1
1 1049 . 9 1 1 A 93 93 TYR CB C 93 41.881 41.240 0.641 1
1 1054 . 9 1 1 A 93 93 TYR N N 93 126.872 127.579 -0.707 1
1 1055 . 9 1 1 A 94 94 LEU H H 94 9.551 9.230 0.321 1
1 1056 . 9 1 1 A 94 94 LEU HA H 94 5.869 5.530 0.339 1
1 1066 . 9 1 1 A 94 94 LEU C C 94 173.433 174.953 -1.520 1
1 1067 . 9 1 1 A 94 94 LEU CA C 94 54.131 53.580 0.551 1
1 1068 . 9 1 1 A 94 94 LEU CB C 94 46.320 45.722 0.598 1
1 1072 . 9 1 1 A 94 94 LEU N N 94 117.884 123.060 -5.176 1
1 1073 . 9 1 1 A 95 95 ARG H H 95 8.603 8.719 -0.116 1
1 1074 . 9 1 1 A 95 95 ARG HA H 95 4.707 4.830 -0.123 1
1 1082 . 9 1 1 A 95 95 ARG C C 95 174.605 174.512 0.093 1
1 1083 . 9 1 1 A 95 95 ARG CA C 95 53.795 53.818 -0.023 1
1 1084 . 9 1 1 A 95 95 ARG CB C 95 33.468 33.297 0.171 1
1 1087 . 9 1 1 A 95 95 ARG N N 95 116.939 119.989 -3.050 1
1 1089 . 9 1 1 A 96 96 ALA H H 96 9.072 8.548 0.524 1
1 1090 . 9 1 1 A 96 96 ALA HA H 96 4.404 4.395 0.009 1
1 1094 . 9 1 1 A 96 96 ALA C C 96 177.811 176.876 0.935 1
1 1095 . 9 1 1 A 96 96 ALA CA C 96 52.324 52.008 0.316 1
1 1096 . 9 1 1 A 96 96 ALA CB C 96 18.248 19.128 -0.880 1
1 1097 . 9 1 1 A 96 96 ALA N N 96 124.914 123.831 1.083 1
1 1098 . 9 1 1 A 97 97 LYS H H 97 7.989 8.210 -0.221 1
1 1099 . 9 1 1 A 97 97 LYS HA H 97 3.922 4.460 -0.538 1
1 1108 . 9 1 1 A 97 97 LYS C C 97 175.978 174.986 0.992 1
1 1109 . 9 1 1 A 97 97 LYS CA C 97 56.915 56.195 0.720 1
1 1110 . 9 1 1 A 97 97 LYS CB C 97 32.864 32.952 -0.088 1
1 1114 . 9 1 1 A 97 97 LYS N N 97 123.129 122.930 0.199 1
1 1115 . 9 1 1 A 98 98 LEU H H 98 8.118 9.026 -0.908 1
1 1116 . 9 1 1 A 98 98 LEU HA H 98 4.321 4.865 -0.544 1
1 1126 . 9 1 1 A 98 98 LEU C C 98 176.592 175.137 1.455 1
1 1127 . 9 1 1 A 98 98 LEU CA C 98 54.627 53.634 0.993 1
1 1128 . 9 1 1 A 98 98 LEU CB C 98 42.566 42.329 0.237 1
1 1132 . 9 1 1 A 98 98 LEU N N 98 123.816 129.875 -6.059 1
1 1133 . 9 1 1 A 99 99 GLU H H 99 8.376 8.766 -0.390 1
1 1134 . 9 1 1 A 99 99 GLU C C 99 175.790 175.478 0.312 1
1 1 . 10 1 1 A 5 5 SER H H 5 8.350 8.892 -0.542 1
1 2 . 10 1 1 A 5 5 SER N N 5 116.816 122.082 -5.266 1
1 3 . 10 1 1 A 9 9 GLN H H 9 8.479 7.735 0.744 1
1 4 . 10 1 1 A 9 9 GLN N N 9 121.973 115.429 6.544 1
1 5 . 10 1 1 A 10 10 PRO HA H 10 4.392 4.327 0.065 1
1 8 . 10 1 1 A 10 10 PRO C C 10 176.702 176.883 -0.181 1
1 9 . 10 1 1 A 10 10 PRO CA C 10 63.029 63.732 -0.703 1
1 10 . 10 1 1 A 10 10 PRO CB C 10 32.056 31.950 0.106 1
1 11 . 10 1 1 A 11 11 ALA H H 11 8.421 8.552 -0.131 1
1 12 . 10 1 1 A 11 11 ALA HA H 11 4.254 3.940 0.314 1
1 16 . 10 1 1 A 11 11 ALA C C 11 177.592 177.073 0.519 1
1 17 . 10 1 1 A 11 11 ALA CA C 11 52.405 54.319 -1.914 1
1 18 . 10 1 1 A 11 11 ALA CB C 11 19.242 17.981 1.261 1
1 19 . 10 1 1 A 11 11 ALA N N 11 124.566 119.546 5.020 1
1 20 . 10 1 1 A 12 12 ALA H H 12 8.297 7.733 0.564 1
1 21 . 10 1 1 A 12 12 ALA HA H 12 4.278 4.379 -0.101 1
1 25 . 10 1 1 A 12 12 ALA C C 12 177.607 176.510 1.097 1
1 26 . 10 1 1 A 12 12 ALA CA C 12 52.402 51.401 1.001 1
1 27 . 10 1 1 A 12 12 ALA CB C 12 19.397 17.408 1.989 1
1 28 . 10 1 1 A 12 12 ALA N N 12 123.470 120.989 2.481 1
1 29 . 10 1 1 A 13 13 GLN H H 13 8.302 8.077 0.225 1
1 30 . 10 1 1 A 13 13 GLN HA H 13 4.304 4.398 -0.094 1
1 33 . 10 1 1 A 13 13 GLN C C 13 175.344 175.463 -0.119 1
1 34 . 10 1 1 A 13 13 GLN CA C 13 55.396 55.599 -0.203 1
1 35 . 10 1 1 A 13 13 GLN CB C 13 29.738 29.545 0.193 1
1 36 . 10 1 1 A 13 13 GLN N N 13 119.718 118.942 0.776 1
1 37 . 10 1 1 A 14 14 ALA H H 14 8.405 8.664 -0.259 1
1 38 . 10 1 1 A 14 14 ALA HA H 14 4.580 4.774 -0.194 1
1 42 . 10 1 1 A 14 14 ALA C C 14 175.619 176.270 -0.651 1
1 43 . 10 1 1 A 14 14 ALA CA C 14 50.607 50.284 0.323 1
1 44 . 10 1 1 A 14 14 ALA CB C 14 18.031 19.429 -1.398 1
1 45 . 10 1 1 A 14 14 ALA N N 14 127.291 123.980 3.311 1
1 46 . 10 1 1 A 15 15 PRO HA H 15 4.399 4.538 -0.139 1
1 49 . 10 1 1 A 15 15 PRO C C 15 177.086 176.413 0.673 1
1 50 . 10 1 1 A 15 15 PRO CA C 15 63.294 62.228 1.066 1
1 51 . 10 1 1 A 15 15 PRO CB C 15 31.988 33.045 -1.057 1
1 52 . 10 1 1 A 16 16 GLU H H 16 8.656 8.620 0.036 1
1 53 . 10 1 1 A 16 16 GLU HA H 16 4.306 4.630 -0.324 1
1 56 . 10 1 1 A 16 16 GLU C C 16 176.897 176.525 0.372 1
1 57 . 10 1 1 A 16 16 GLU CA C 16 56.771 56.050 0.721 1
1 58 . 10 1 1 A 16 16 GLU CB C 16 30.209 30.792 -0.583 1
1 59 . 10 1 1 A 16 16 GLU N N 16 120.957 120.219 0.738 1
1 60 . 10 1 1 A 17 17 THR H H 17 8.202 8.574 -0.372 1
1 61 . 10 1 1 A 17 17 THR HA H 17 4.336 4.465 -0.129 1
1 66 . 10 1 1 A 17 17 THR C C 17 174.612 173.311 1.301 1
1 67 . 10 1 1 A 17 17 THR CA C 17 61.981 62.678 -0.697 1
1 68 . 10 1 1 A 17 17 THR CB C 17 69.928 69.161 0.767 1
1 70 . 10 1 1 A 17 17 THR N N 17 115.763 117.083 -1.320 1
1 71 . 10 1 1 A 18 18 LYS H H 18 8.373 8.933 -0.560 1
1 72 . 10 1 1 A 18 18 LYS HA H 18 4.365 4.979 -0.614 1
1 81 . 10 1 1 A 18 18 LYS C C 18 176.509 175.213 1.296 1
1 82 . 10 1 1 A 18 18 LYS CA C 18 56.348 54.342 2.006 1
1 83 . 10 1 1 A 18 18 LYS CB C 18 33.051 35.893 -2.842 1
1 87 . 10 1 1 A 18 18 LYS N N 18 123.975 128.101 -4.126 1
1 88 . 10 1 1 A 19 19 GLN H H 19 8.387 8.536 -0.149 1
1 89 . 10 1 1 A 19 19 GLN HA H 19 4.378 4.643 -0.265 1
1 96 . 10 1 1 A 19 19 GLN C C 19 175.630 175.214 0.416 1
1 97 . 10 1 1 A 19 19 GLN CA C 19 55.614 54.973 0.641 1
1 98 . 10 1 1 A 19 19 GLN CB C 19 29.749 30.208 -0.459 1
1 100 . 10 1 1 A 19 19 GLN N N 19 121.480 124.752 -3.272 1
1 102 . 10 1 1 A 20 20 ALA H H 20 8.505 8.838 -0.333 1
1 103 . 10 1 1 A 20 20 ALA HA H 20 4.449 5.044 -0.595 1
1 107 . 10 1 1 A 20 20 ALA C C 20 177.361 177.152 0.209 1
1 108 . 10 1 1 A 20 20 ALA CA C 20 52.165 50.364 1.801 1
1 109 . 10 1 1 A 20 20 ALA CB C 20 19.253 20.433 -1.180 1
1 110 . 10 1 1 A 20 20 ALA N N 20 125.974 125.132 0.842 1
1 111 . 10 1 1 A 21 21 PHE H H 21 8.851 8.909 -0.058 1
1 112 . 10 1 1 A 21 21 PHE HA H 21 4.422 4.829 -0.407 1
1 120 . 10 1 1 A 21 21 PHE C C 21 176.063 174.587 1.476 1
1 121 . 10 1 1 A 21 21 PHE CA C 21 56.142 57.344 -1.202 1
1 122 . 10 1 1 A 21 21 PHE CB C 21 39.867 39.118 0.749 1
1 128 . 10 1 1 A 21 21 PHE N N 21 124.486 122.275 2.211 1
1 129 . 10 1 1 A 22 22 PRO HA H 22 4.856 4.913 -0.057 1
1 136 . 10 1 1 A 22 22 PRO C C 22 174.848 177.210 -2.362 1
1 137 . 10 1 1 A 22 22 PRO CA C 22 62.078 62.419 -0.341 1
1 138 . 10 1 1 A 22 22 PRO CB C 22 28.563 30.930 -2.367 1
1 141 . 10 1 1 A 23 23 ARG H H 23 8.356 8.636 -0.280 1
1 142 . 10 1 1 A 23 23 ARG HA H 23 3.650 4.033 -0.383 1
1 149 . 10 1 1 A 23 23 ARG C C 23 176.762 178.351 -1.589 1
1 150 . 10 1 1 A 23 23 ARG CA C 23 60.448 58.941 1.507 1
1 151 . 10 1 1 A 23 23 ARG CB C 23 31.422 29.543 1.879 1
1 154 . 10 1 1 A 23 23 ARG N N 23 126.815 124.344 2.471 1
1 155 . 10 1 1 A 24 24 LYS H H 24 8.555 7.854 0.701 1
1 156 . 10 1 1 A 24 24 LYS HA H 24 3.926 3.934 -0.008 1
1 165 . 10 1 1 A 24 24 LYS C C 24 179.506 179.655 -0.149 1
1 166 . 10 1 1 A 24 24 LYS CA C 24 59.888 59.397 0.491 1
1 167 . 10 1 1 A 24 24 LYS CB C 24 31.782 31.941 -0.159 1
1 171 . 10 1 1 A 24 24 LYS N N 24 116.573 119.478 -2.905 1
1 172 . 10 1 1 A 25 25 PHE H H 25 7.575 8.062 -0.487 1
1 173 . 10 1 1 A 25 25 PHE HA H 25 4.487 4.310 0.177 1
1 181 . 10 1 1 A 25 25 PHE C C 25 177.447 178.103 -0.656 1
1 182 . 10 1 1 A 25 25 PHE CA C 25 59.779 60.544 -0.765 1
1 183 . 10 1 1 A 25 25 PHE CB C 25 38.791 38.223 0.568 1
1 189 . 10 1 1 A 25 25 PHE N N 25 118.123 118.764 -0.641 1
1 190 . 10 1 1 A 26 26 VAL H H 26 8.024 8.193 -0.169 1
1 191 . 10 1 1 A 26 26 VAL HA H 26 3.608 3.693 -0.085 1
1 199 . 10 1 1 A 26 26 VAL C C 26 177.770 178.176 -0.406 1
1 200 . 10 1 1 A 26 26 VAL CA C 26 66.473 66.877 -0.404 1
1 201 . 10 1 1 A 26 26 VAL CB C 26 31.408 31.600 -0.192 1
1 204 . 10 1 1 A 26 26 VAL N N 26 117.081 119.482 -2.401 1
1 205 . 10 1 1 A 27 27 LEU H H 27 8.220 8.668 -0.448 1
1 206 . 10 1 1 A 27 27 LEU HA H 27 4.234 4.138 0.096 1
1 216 . 10 1 1 A 27 27 LEU C C 27 180.010 179.131 0.879 1
1 217 . 10 1 1 A 27 27 LEU CA C 27 57.864 57.766 0.098 1
1 218 . 10 1 1 A 27 27 LEU CB C 27 40.488 40.749 -0.261 1
1 222 . 10 1 1 A 27 27 LEU N N 27 118.748 117.897 0.851 1
1 223 . 10 1 1 A 28 28 ALA H H 28 8.014 8.288 -0.274 1
1 224 . 10 1 1 A 28 28 ALA HA H 28 4.289 4.197 0.092 1
1 228 . 10 1 1 A 28 28 ALA C C 28 179.951 179.471 0.480 1
1 229 . 10 1 1 A 28 28 ALA CA C 28 55.110 55.759 -0.649 1
1 230 . 10 1 1 A 28 28 ALA CB C 28 17.970 17.825 0.145 1
1 231 . 10 1 1 A 28 28 ALA N N 28 124.088 122.064 2.024 1
1 232 . 10 1 1 A 29 29 ALA H H 29 8.259 8.327 -0.068 1
1 233 . 10 1 1 A 29 29 ALA HA H 29 3.942 4.554 -0.612 1
1 237 . 10 1 1 A 29 29 ALA C C 29 180.505 180.254 0.251 1
1 238 . 10 1 1 A 29 29 ALA CA C 29 54.976 55.264 -0.288 1
1 239 . 10 1 1 A 29 29 ALA CB C 29 17.923 18.422 -0.499 1
1 240 . 10 1 1 A 29 29 ALA N N 29 120.431 121.197 -0.766 1
1 241 . 10 1 1 A 30 30 LEU H H 30 8.098 8.407 -0.309 1
1 242 . 10 1 1 A 30 30 LEU HA H 30 4.007 4.273 -0.266 1
1 252 . 10 1 1 A 30 30 LEU C C 30 178.315 178.302 0.013 1
1 253 . 10 1 1 A 30 30 LEU CA C 30 58.096 58.444 -0.348 1
1 254 . 10 1 1 A 30 30 LEU CB C 30 41.486 41.468 0.018 1
1 258 . 10 1 1 A 30 30 LEU N N 30 120.849 119.959 0.890 1
1 259 . 10 1 1 A 31 31 GLU H H 31 8.115 8.794 -0.679 1
1 260 . 10 1 1 A 31 31 GLU HA H 31 3.967 3.992 -0.025 1
1 265 . 10 1 1 A 31 31 GLU C C 31 179.473 178.354 1.119 1
1 266 . 10 1 1 A 31 31 GLU CA C 31 59.683 59.262 0.421 1
1 267 . 10 1 1 A 31 31 GLU CB C 31 29.402 29.353 0.049 1
1 269 . 10 1 1 A 31 31 GLU N N 31 120.752 117.333 3.419 1
1 270 . 10 1 1 A 32 32 GLN H H 32 7.812 7.575 0.237 1
1 271 . 10 1 1 A 32 32 GLN HA H 32 4.001 4.102 -0.101 1
1 278 . 10 1 1 A 32 32 GLN C C 32 176.519 177.068 -0.549 1
1 279 . 10 1 1 A 32 32 GLN CA C 32 57.576 58.579 -1.003 1
1 280 . 10 1 1 A 32 32 GLN CB C 32 29.108 28.501 0.607 1
1 282 . 10 1 1 A 32 32 GLN N N 32 114.711 119.702 -4.991 1
1 284 . 10 1 1 A 33 33 SER H H 33 7.460 7.802 -0.342 1
1 285 . 10 1 1 A 33 33 SER HA H 33 4.257 4.452 -0.195 1
1 288 . 10 1 1 A 33 33 SER C C 33 174.508 174.341 0.167 1
1 289 . 10 1 1 A 33 33 SER CA C 33 58.504 58.763 -0.259 1
1 290 . 10 1 1 A 33 33 SER CB C 33 65.131 63.528 1.603 1
1 291 . 10 1 1 A 33 33 SER N N 33 110.604 114.712 -4.108 1
1 292 . 10 1 1 A 34 34 SER H H 34 7.429 7.364 0.065 1
1 293 . 10 1 1 A 34 34 SER HA H 34 4.468 4.609 -0.141 1
1 296 . 10 1 1 A 34 34 SER C C 34 174.588 174.250 0.338 1
1 297 . 10 1 1 A 34 34 SER CA C 34 58.556 58.651 -0.095 1
1 298 . 10 1 1 A 34 34 SER CB C 34 65.278 64.224 1.054 1
1 299 . 10 1 1 A 34 34 SER N N 34 117.544 116.945 0.599 1
1 300 . 10 1 1 A 35 35 ASP H H 35 8.822 9.336 -0.514 1
1 301 . 10 1 1 A 35 35 ASP HA H 35 4.778 4.874 -0.096 1
1 304 . 10 1 1 A 35 35 ASP C C 35 178.268 177.759 0.509 1
1 305 . 10 1 1 A 35 35 ASP CA C 35 52.849 53.759 -0.910 1
1 306 . 10 1 1 A 35 35 ASP CB C 35 41.314 42.071 -0.757 1
1 307 . 10 1 1 A 35 35 ASP N N 35 121.575 123.536 -1.961 1
1 308 . 10 1 1 A 36 36 ASP H H 36 8.483 8.947 -0.464 1
1 309 . 10 1 1 A 36 36 ASP HA H 36 4.414 4.294 0.120 1
1 312 . 10 1 1 A 36 36 ASP C C 36 176.670 177.498 -0.828 1
1 313 . 10 1 1 A 36 36 ASP CA C 36 56.605 58.273 -1.668 1
1 314 . 10 1 1 A 36 36 ASP CB C 36 40.286 41.460 -1.174 1
1 315 . 10 1 1 A 36 36 ASP N N 36 117.398 122.672 -5.274 1
1 316 . 10 1 1 A 37 37 ALA H H 37 8.242 7.556 0.686 1
1 317 . 10 1 1 A 37 37 ALA HA H 37 4.532 4.369 0.163 1
1 321 . 10 1 1 A 37 37 ALA C C 37 177.407 177.626 -0.219 1
1 322 . 10 1 1 A 37 37 ALA CA C 37 51.677 51.855 -0.178 1
1 323 . 10 1 1 A 37 37 ALA CB C 37 19.774 19.013 0.761 1
1 324 . 10 1 1 A 37 37 ALA N N 37 122.052 118.045 4.007 1
1 325 . 10 1 1 A 38 38 GLY H H 38 8.155 8.133 0.022 1
1 326 . 10 1 1 A 38 38 GLY HA2 H 38 3.624 3.749 -0.125 1
1 327 . 10 1 1 A 38 38 GLY HA3 H 38 4.080 3.855 0.225 1
1 328 . 10 1 1 A 38 38 GLY C C 38 173.417 173.727 -0.310 1
1 329 . 10 1 1 A 38 38 GLY CA C 38 45.093 46.419 -1.326 1
1 330 . 10 1 1 A 38 38 GLY N N 38 107.721 107.815 -0.094 1
1 331 . 10 1 1 A 39 39 TRP H H 39 8.449 7.894 0.555 1
1 332 . 10 1 1 A 39 39 TRP HA H 39 5.054 5.230 -0.176 1
1 341 . 10 1 1 A 39 39 TRP C C 39 176.577 175.005 1.572 1
1 342 . 10 1 1 A 39 39 TRP CA C 39 56.596 55.733 0.863 1
1 343 . 10 1 1 A 39 39 TRP CB C 39 32.184 32.828 -0.644 1
1 349 . 10 1 1 A 39 39 TRP N N 39 119.797 119.515 0.282 1
1 351 . 10 1 1 A 40 40 ALA H H 40 9.855 9.110 0.745 1
1 352 . 10 1 1 A 40 40 ALA HA H 40 5.099 5.193 -0.094 1
1 356 . 10 1 1 A 40 40 ALA C C 40 176.165 176.410 -0.245 1
1 357 . 10 1 1 A 40 40 ALA CA C 40 50.202 50.467 -0.265 1
1 358 . 10 1 1 A 40 40 ALA CB C 40 23.153 21.043 2.110 1
1 359 . 10 1 1 A 40 40 ALA N N 40 124.618 126.931 -2.313 1
1 360 . 10 1 1 A 41 41 ASN H H 41 8.794 8.431 0.363 1
1 361 . 10 1 1 A 41 41 ASN HA H 41 3.771 4.164 -0.393 1
1 366 . 10 1 1 A 41 41 ASN C C 41 175.824 176.429 -0.605 1
1 367 . 10 1 1 A 41 41 ASN CA C 41 52.724 52.965 -0.241 1
1 368 . 10 1 1 A 41 41 ASN CB C 41 39.927 39.560 0.367 1
1 369 . 10 1 1 A 41 41 ASN N N 41 121.050 121.425 -0.375 1
1 371 . 10 1 1 A 42 42 LEU H H 42 8.493 8.739 -0.246 1
1 372 . 10 1 1 A 42 42 LEU HA H 42 3.834 4.054 -0.220 1
1 382 . 10 1 1 A 42 42 LEU C C 42 178.256 178.916 -0.660 1
1 383 . 10 1 1 A 42 42 LEU CA C 42 58.859 58.343 0.516 1
1 384 . 10 1 1 A 42 42 LEU CB C 42 42.233 41.870 0.363 1
1 388 . 10 1 1 A 42 42 LEU N N 42 126.418 129.262 -2.844 1
1 389 . 10 1 1 A 43 43 GLY H H 43 8.440 8.071 0.369 1
1 390 . 10 1 1 A 43 43 GLY HA2 H 43 3.912 3.758 0.154 1
1 391 . 10 1 1 A 43 43 GLY HA3 H 43 3.822 3.772 0.050 1
1 392 . 10 1 1 A 43 43 GLY C C 43 176.344 176.204 0.140 1
1 393 . 10 1 1 A 43 43 GLY CA C 43 47.070 47.421 -0.351 1
1 394 . 10 1 1 A 43 43 GLY N N 43 106.800 106.738 0.062 1
1 395 . 10 1 1 A 44 44 ASN H H 44 7.916 7.524 0.392 1
1 396 . 10 1 1 A 44 44 ASN HA H 44 4.472 4.475 -0.003 1
1 401 . 10 1 1 A 44 44 ASN C C 44 177.888 178.161 -0.273 1
1 402 . 10 1 1 A 44 44 ASN CA C 44 56.004 55.978 0.026 1
1 403 . 10 1 1 A 44 44 ASN CB C 44 38.316 38.010 0.306 1
1 404 . 10 1 1 A 44 44 ASN N N 44 121.472 119.944 1.528 1
1 406 . 10 1 1 A 45 45 PHE H H 45 8.563 8.201 0.362 1
1 407 . 10 1 1 A 45 45 PHE HA H 45 4.498 4.385 0.113 1
1 415 . 10 1 1 A 45 45 PHE C C 45 176.732 178.034 -1.302 1
1 416 . 10 1 1 A 45 45 PHE CA C 45 60.350 60.065 0.285 1
1 417 . 10 1 1 A 45 45 PHE CB C 45 38.824 38.894 -0.070 1
1 423 . 10 1 1 A 45 45 PHE N N 45 121.835 121.892 -0.057 1
1 424 . 10 1 1 A 46 46 GLY H H 46 8.933 8.735 0.198 1
1 425 . 10 1 1 A 46 46 GLY HA2 H 46 3.820 3.503 0.317 1
1 426 . 10 1 1 A 46 46 GLY HA3 H 46 3.186 3.684 -0.498 1
1 427 . 10 1 1 A 46 46 GLY C C 46 176.053 175.594 0.459 1
1 428 . 10 1 1 A 46 46 GLY CA C 46 47.171 46.993 0.178 1
1 429 . 10 1 1 A 46 46 GLY N N 46 106.269 106.278 -0.009 1
1 430 . 10 1 1 A 47 47 ASN H H 47 7.812 7.558 0.254 1
1 431 . 10 1 1 A 47 47 ASN HA H 47 4.470 4.466 0.004 1
1 436 . 10 1 1 A 47 47 ASN C C 47 178.087 176.931 1.156 1
1 437 . 10 1 1 A 47 47 ASN CA C 47 55.974 55.832 0.142 1
1 438 . 10 1 1 A 47 47 ASN CB C 47 38.149 38.959 -0.810 1
1 439 . 10 1 1 A 47 47 ASN N N 47 120.030 120.000 0.030 1
1 441 . 10 1 1 A 48 48 TYR H H 48 8.093 8.181 -0.088 1
1 442 . 10 1 1 A 48 48 TYR HA H 48 4.007 4.159 -0.152 1
1 449 . 10 1 1 A 48 48 TYR C C 48 178.310 177.572 0.738 1
1 450 . 10 1 1 A 48 48 TYR CA C 48 62.527 61.037 1.490 1
1 451 . 10 1 1 A 48 48 TYR CB C 48 38.254 38.836 -0.582 1
1 456 . 10 1 1 A 48 48 TYR N N 48 121.030 120.077 0.953 1
1 457 . 10 1 1 A 49 49 LEU H H 49 8.480 8.101 0.379 1
1 458 . 10 1 1 A 49 49 LEU HA H 49 3.624 3.835 -0.211 1
1 468 . 10 1 1 A 49 49 LEU C C 49 177.653 178.376 -0.723 1
1 469 . 10 1 1 A 49 49 LEU CA C 49 58.321 57.987 0.334 1
1 470 . 10 1 1 A 49 49 LEU CB C 49 41.046 40.792 0.254 1
1 474 . 10 1 1 A 49 49 LEU N N 49 121.024 121.057 -0.033 1
1 475 . 10 1 1 A 50 50 ASN H H 50 7.564 8.003 -0.439 1
1 476 . 10 1 1 A 50 50 ASN HA H 50 4.493 4.491 0.002 1
1 481 . 10 1 1 A 50 50 ASN C C 50 176.498 177.622 -1.124 1
1 482 . 10 1 1 A 50 50 ASN CA C 50 55.479 55.843 -0.364 1
1 483 . 10 1 1 A 50 50 ASN CB C 50 39.302 39.039 0.263 1
1 484 . 10 1 1 A 50 50 ASN N N 50 114.582 116.603 -2.021 1
1 486 . 10 1 1 A 51 51 LYS H H 51 7.370 7.250 0.120 1
1 487 . 10 1 1 A 51 51 LYS HA H 51 3.990 3.916 0.074 1
1 496 . 10 1 1 A 51 51 LYS C C 51 178.403 178.871 -0.468 1
1 497 . 10 1 1 A 51 51 LYS CA C 51 58.512 59.563 -1.051 1
1 498 . 10 1 1 A 51 51 LYS CB C 51 32.245 32.259 -0.014 1
1 502 . 10 1 1 A 51 51 LYS N N 51 118.289 118.781 -0.492 1
1 503 . 10 1 1 A 52 52 LEU H H 52 7.518 7.152 0.366 1
1 504 . 10 1 1 A 52 52 LEU HA H 52 4.085 4.087 -0.002 1
1 514 . 10 1 1 A 52 52 LEU C C 52 177.924 176.687 1.237 1
1 515 . 10 1 1 A 52 52 LEU CA C 52 56.424 56.281 0.143 1
1 516 . 10 1 1 A 52 52 LEU CB C 52 42.952 43.372 -0.420 1
1 520 . 10 1 1 A 52 52 LEU N N 52 117.841 118.475 -0.634 1
1 521 . 10 1 1 A 53 53 GLN H H 53 8.438 7.950 0.488 1
1 522 . 10 1 1 A 53 53 GLN HA H 53 4.583 4.663 -0.080 1
1 529 . 10 1 1 A 53 53 GLN C C 53 172.039 173.982 -1.943 1
1 530 . 10 1 1 A 53 53 GLN CA C 53 52.780 53.566 -0.786 1
1 531 . 10 1 1 A 53 53 GLN CB C 53 29.902 29.116 0.786 1
1 533 . 10 1 1 A 53 53 GLN N N 53 118.578 118.050 0.528 1
1 535 . 10 1 1 A 54 54 PRO HA H 54 4.718 4.471 0.247 1
1 542 . 10 1 1 A 54 54 PRO C C 54 177.295 177.264 0.031 1
1 543 . 10 1 1 A 54 54 PRO CA C 54 64.754 64.426 0.328 1
1 544 . 10 1 1 A 54 54 PRO CB C 54 31.924 31.813 0.111 1
1 547 . 10 1 1 A 55 55 ASP H H 55 8.349 8.388 -0.039 1
1 548 . 10 1 1 A 55 55 ASP HA H 55 4.596 4.750 -0.154 1
1 551 . 10 1 1 A 55 55 ASP C C 55 176.361 176.036 0.325 1
1 552 . 10 1 1 A 55 55 ASP CA C 55 53.467 54.550 -1.083 1
1 553 . 10 1 1 A 55 55 ASP CB C 55 40.050 40.968 -0.918 1
1 554 . 10 1 1 A 55 55 ASP N N 55 114.766 116.571 -1.805 1
1 555 . 10 1 1 A 56 56 PHE H H 56 8.187 7.626 0.561 1
1 556 . 10 1 1 A 56 56 PHE HA H 56 4.055 4.959 -0.904 1
1 564 . 10 1 1 A 56 56 PHE C C 56 175.257 174.091 1.166 1
1 565 . 10 1 1 A 56 56 PHE CA C 56 61.149 56.504 4.645 1
1 566 . 10 1 1 A 56 56 PHE CB C 56 38.680 39.403 -0.723 1
1 572 . 10 1 1 A 56 56 PHE N N 56 122.323 121.174 1.149 1
1 573 . 10 1 1 A 57 57 ASP H H 57 6.887 8.515 -1.628 1
1 574 . 10 1 1 A 57 57 ASP HA H 57 4.670 5.048 -0.378 1
1 577 . 10 1 1 A 57 57 ASP C C 57 176.308 176.310 -0.002 1
1 578 . 10 1 1 A 57 57 ASP CA C 57 52.895 52.893 0.002 1
1 579 . 10 1 1 A 57 57 ASP CB C 57 42.942 43.237 -0.295 1
1 580 . 10 1 1 A 57 57 ASP N N 57 127.342 128.490 -1.148 1
1 581 . 10 1 1 A 58 58 SER H H 58 9.284 9.090 0.194 1
1 582 . 10 1 1 A 58 58 SER HA H 58 3.991 4.120 -0.129 1
1 585 . 10 1 1 A 58 58 SER C C 58 176.248 176.768 -0.520 1
1 586 . 10 1 1 A 58 58 SER CA C 58 63.050 61.858 1.192 1
1 587 . 10 1 1 A 58 58 SER CB C 58 63.339 63.225 0.114 1
1 588 . 10 1 1 A 58 58 SER N N 58 123.478 121.352 2.126 1
1 589 . 10 1 1 A 59 59 ARG H H 59 8.639 7.644 0.995 1
1 590 . 10 1 1 A 59 59 ARG HA H 59 4.073 4.261 -0.188 1
1 597 . 10 1 1 A 59 59 ARG C C 59 180.693 179.179 1.514 1
1 598 . 10 1 1 A 59 59 ARG CA C 59 58.787 58.935 -0.148 1
1 599 . 10 1 1 A 59 59 ARG CB C 59 29.824 29.837 -0.013 1
1 602 . 10 1 1 A 59 59 ARG N N 59 123.207 122.137 1.070 1
1 603 . 10 1 1 A 60 60 LEU H H 60 7.460 8.085 -0.625 1
1 604 . 10 1 1 A 60 60 LEU HA H 60 3.841 3.933 -0.092 1
1 614 . 10 1 1 A 60 60 LEU C C 60 177.018 177.847 -0.829 1
1 615 . 10 1 1 A 60 60 LEU CA C 60 56.556 57.384 -0.828 1
1 616 . 10 1 1 A 60 60 LEU CB C 60 41.013 41.242 -0.229 1
1 620 . 10 1 1 A 60 60 LEU N N 60 120.191 119.036 1.155 1
1 621 . 10 1 1 A 61 61 TYR H H 61 7.200 7.779 -0.579 1
1 622 . 10 1 1 A 61 61 TYR HA H 61 4.781 4.657 0.124 1
1 629 . 10 1 1 A 61 61 TYR C C 61 175.303 175.824 -0.521 1
1 630 . 10 1 1 A 61 61 TYR CA C 61 56.371 57.795 -1.424 1
1 631 . 10 1 1 A 61 61 TYR CB C 61 38.825 38.870 -0.045 1
1 636 . 10 1 1 A 61 61 TYR N N 61 114.720 116.255 -1.535 1
1 637 . 10 1 1 A 62 62 GLY H H 62 7.354 8.009 -0.655 1
1 638 . 10 1 1 A 62 62 GLY HA2 H 62 3.968 3.829 0.139 1
1 639 . 10 1 1 A 62 62 GLY HA3 H 62 3.552 3.889 -0.337 1
1 640 . 10 1 1 A 62 62 GLY C C 62 173.542 174.065 -0.523 1
1 641 . 10 1 1 A 62 62 GLY CA C 62 44.889 45.213 -0.324 1
1 642 . 10 1 1 A 62 62 GLY N N 62 104.100 108.444 -4.344 1
1 643 . 10 1 1 A 63 63 TYR H H 63 7.377 7.726 -0.349 1
1 644 . 10 1 1 A 63 63 TYR HA H 63 4.937 4.559 0.378 1
1 651 . 10 1 1 A 63 63 TYR C C 63 175.675 176.310 -0.635 1
1 652 . 10 1 1 A 63 63 TYR CA C 63 56.902 58.517 -1.615 1
1 653 . 10 1 1 A 63 63 TYR CB C 63 42.609 39.165 3.444 1
1 658 . 10 1 1 A 63 63 TYR N N 63 117.874 119.933 -2.059 1
1 659 . 10 1 1 A 64 64 LYS H H 64 9.403 8.824 0.579 1
1 660 . 10 1 1 A 64 64 LYS HA H 64 3.914 4.258 -0.344 1
1 669 . 10 1 1 A 64 64 LYS C C 64 176.334 176.805 -0.471 1
1 670 . 10 1 1 A 64 64 LYS CA C 64 59.534 58.592 0.942 1
1 671 . 10 1 1 A 64 64 LYS CB C 64 32.892 32.929 -0.037 1
1 675 . 10 1 1 A 64 64 LYS N N 64 123.946 123.377 0.569 1
1 676 . 10 1 1 A 65 65 LYS H H 65 7.635 7.504 0.131 1
1 677 . 10 1 1 A 65 65 LYS HA H 65 4.787 4.733 0.054 1
1 686 . 10 1 1 A 65 65 LYS C C 65 177.231 176.657 0.574 1
1 687 . 10 1 1 A 65 65 LYS CA C 65 54.089 54.883 -0.794 1
1 688 . 10 1 1 A 65 65 LYS CB C 65 35.722 35.179 0.543 1
1 692 . 10 1 1 A 65 65 LYS N N 65 112.461 114.848 -2.387 1
1 693 . 10 1 1 A 66 66 LEU H H 66 9.090 8.833 0.257 1
1 694 . 10 1 1 A 66 66 LEU HA H 66 4.240 4.112 0.128 1
1 704 . 10 1 1 A 66 66 LEU C C 66 178.820 178.735 0.085 1
1 705 . 10 1 1 A 66 66 LEU CA C 66 58.129 58.226 -0.097 1
1 706 . 10 1 1 A 66 66 LEU CB C 66 41.476 41.344 0.132 1
1 710 . 10 1 1 A 66 66 LEU N N 66 124.584 121.919 2.665 1
1 711 . 10 1 1 A 67 67 SER H H 67 8.867 7.936 0.931 1
1 712 . 10 1 1 A 67 67 SER HA H 67 3.697 4.044 -0.347 1
1 715 . 10 1 1 A 67 67 SER C C 67 175.588 176.017 -0.429 1
1 716 . 10 1 1 A 67 67 SER CA C 67 61.518 62.209 -0.691 1
1 717 . 10 1 1 A 67 67 SER CB C 67 61.537 62.964 -1.427 1
1 718 . 10 1 1 A 67 67 SER N N 67 112.095 116.065 -3.970 1
1 719 . 10 1 1 A 68 68 ASP H H 68 6.783 7.920 -1.137 1
1 720 . 10 1 1 A 68 68 ASP HA H 68 4.356 4.445 -0.089 1
1 723 . 10 1 1 A 68 68 ASP C C 68 177.827 178.333 -0.506 1
1 724 . 10 1 1 A 68 68 ASP CA C 68 57.170 57.246 -0.076 1
1 725 . 10 1 1 A 68 68 ASP CB C 68 41.380 41.266 0.114 1
1 726 . 10 1 1 A 68 68 ASP N N 68 119.720 122.153 -2.433 1
1 727 . 10 1 1 A 69 69 LEU H H 69 7.153 7.346 -0.193 1
1 728 . 10 1 1 A 69 69 LEU HA H 69 2.561 3.107 -0.546 1
1 738 . 10 1 1 A 69 69 LEU C C 69 177.830 178.539 -0.709 1
1 739 . 10 1 1 A 69 69 LEU CA C 69 58.843 57.874 0.969 1
1 740 . 10 1 1 A 69 69 LEU CB C 69 42.203 41.542 0.661 1
1 744 . 10 1 1 A 69 69 LEU N N 69 122.181 120.377 1.804 1
1 745 . 10 1 1 A 70 70 VAL H H 70 8.167 8.148 0.019 1
1 746 . 10 1 1 A 70 70 VAL HA H 70 3.509 3.583 -0.074 1
1 754 . 10 1 1 A 70 70 VAL C C 70 177.695 178.060 -0.365 1
1 755 . 10 1 1 A 70 70 VAL CA C 70 65.582 67.239 -1.657 1
1 756 . 10 1 1 A 70 70 VAL CB C 70 31.409 31.538 -0.129 1
1 759 . 10 1 1 A 70 70 VAL N N 70 116.117 119.421 -3.304 1
1 760 . 10 1 1 A 71 71 LYS H H 71 7.665 7.934 -0.269 1
1 761 . 10 1 1 A 71 71 LYS HA H 71 3.854 4.134 -0.280 1
1 770 . 10 1 1 A 71 71 LYS C C 71 177.406 178.075 -0.669 1
1 771 . 10 1 1 A 71 71 LYS CA C 71 59.175 58.789 0.386 1
1 772 . 10 1 1 A 71 71 LYS CB C 71 32.804 31.507 1.297 1
1 776 . 10 1 1 A 71 71 LYS N N 71 116.326 119.710 -3.384 1
1 777 . 10 1 1 A 72 72 ALA H H 72 7.506 7.317 0.189 1
1 778 . 10 1 1 A 72 72 ALA HA H 72 4.391 4.247 0.144 1
1 782 . 10 1 1 A 72 72 ALA C C 72 180.756 178.161 2.595 1
1 783 . 10 1 1 A 72 72 ALA CA C 72 53.691 53.712 -0.021 1
1 784 . 10 1 1 A 72 72 ALA CB C 72 20.243 19.075 1.168 1
1 785 . 10 1 1 A 72 72 ALA N N 72 118.313 121.077 -2.764 1
1 786 . 10 1 1 A 73 73 ARG H H 73 7.603 7.535 0.068 1
1 787 . 10 1 1 A 73 73 ARG HA H 73 4.872 4.727 0.145 1
1 795 . 10 1 1 A 73 73 ARG C C 73 177.558 176.452 1.106 1
1 796 . 10 1 1 A 73 73 ARG CA C 73 51.230 54.833 -3.603 1
1 797 . 10 1 1 A 73 73 ARG CB C 73 25.568 29.622 -4.054 1
1 800 . 10 1 1 A 73 73 ARG N N 73 118.690 117.073 1.617 1
1 802 . 10 1 1 A 74 74 THR H H 74 8.261 7.945 0.316 1
1 803 . 10 1 1 A 74 74 THR HA H 74 4.552 4.556 -0.004 1
1 808 . 10 1 1 A 74 74 THR C C 74 174.706 176.080 -1.374 1
1 809 . 10 1 1 A 74 74 THR CA C 74 62.876 64.420 -1.544 1
1 810 . 10 1 1 A 74 74 THR CB C 74 68.716 68.551 0.165 1
1 812 . 10 1 1 A 74 74 THR N N 74 115.950 112.968 2.982 1
1 813 . 10 1 1 A 75 75 ASP H H 75 9.542 8.171 1.371 1
1 814 . 10 1 1 A 75 75 ASP HA H 75 4.310 4.366 -0.056 1
1 817 . 10 1 1 A 75 75 ASP C C 75 175.958 177.205 -1.247 1
1 818 . 10 1 1 A 75 75 ASP CA C 75 54.476 56.703 -2.227 1
1 819 . 10 1 1 A 75 75 ASP CB C 75 38.969 41.373 -2.404 1
1 820 . 10 1 1 A 75 75 ASP N N 75 116.582 122.204 -5.622 1
1 821 . 10 1 1 A 76 76 LEU H H 76 7.078 7.504 -0.426 1
1 822 . 10 1 1 A 76 76 LEU HA H 76 4.225 4.000 0.225 1
1 832 . 10 1 1 A 76 76 LEU C C 76 177.244 176.137 1.107 1
1 833 . 10 1 1 A 76 76 LEU CA C 76 55.349 55.840 -0.491 1
1 834 . 10 1 1 A 76 76 LEU CB C 76 43.508 43.243 0.265 1
1 838 . 10 1 1 A 76 76 LEU N N 76 117.639 117.144 0.495 1
1 839 . 10 1 1 A 77 77 PHE H H 77 7.977 7.742 0.235 1
1 840 . 10 1 1 A 77 77 PHE HA H 77 5.648 5.166 0.482 1
1 848 . 10 1 1 A 77 77 PHE C C 77 175.868 174.808 1.060 1
1 849 . 10 1 1 A 77 77 PHE CA C 77 54.878 56.294 -1.416 1
1 850 . 10 1 1 A 77 77 PHE CB C 77 42.833 42.179 0.654 1
1 856 . 10 1 1 A 77 77 PHE N N 77 115.989 115.170 0.819 1
1 857 . 10 1 1 A 78 78 VAL H H 78 8.863 9.307 -0.444 1
1 858 . 10 1 1 A 78 78 VAL HA H 78 4.425 4.579 -0.154 1
1 866 . 10 1 1 A 78 78 VAL C C 78 175.288 175.676 -0.388 1
1 867 . 10 1 1 A 78 78 VAL CA C 78 61.575 61.267 0.308 1
1 868 . 10 1 1 A 78 78 VAL CB C 78 33.988 33.247 0.741 1
1 871 . 10 1 1 A 78 78 VAL N N 78 123.339 121.519 1.820 1
1 872 . 10 1 1 A 79 79 THR H H 79 8.305 9.141 -0.836 1
1 873 . 10 1 1 A 79 79 THR HA H 79 5.882 5.528 0.354 1
1 878 . 10 1 1 A 79 79 THR C C 79 174.566 173.819 0.747 1
1 879 . 10 1 1 A 79 79 THR CA C 79 59.476 60.528 -1.052 1
1 880 . 10 1 1 A 79 79 THR CB C 79 73.090 70.871 2.219 1
1 882 . 10 1 1 A 79 79 THR N N 79 113.057 119.479 -6.422 1
1 883 . 10 1 1 A 80 80 GLU H H 80 8.962 8.588 0.374 1
1 884 . 10 1 1 A 80 80 GLU HA H 80 4.589 4.928 -0.339 1
1 889 . 10 1 1 A 80 80 GLU C C 80 174.040 175.691 -1.651 1
1 890 . 10 1 1 A 80 80 GLU CA C 80 55.878 54.930 0.948 1
1 891 . 10 1 1 A 80 80 GLU CB C 80 33.399 33.777 -0.378 1
1 893 . 10 1 1 A 80 80 GLU N N 80 117.934 122.625 -4.691 1
1 894 . 10 1 1 A 81 81 GLU H H 81 8.687 8.737 -0.050 1
1 895 . 10 1 1 A 81 81 GLU HA H 81 5.213 4.727 0.486 1
1 900 . 10 1 1 A 81 81 GLU C C 81 176.406 175.366 1.040 1
1 901 . 10 1 1 A 81 81 GLU CA C 81 55.186 56.156 -0.970 1
1 902 . 10 1 1 A 81 81 GLU CB C 81 31.544 30.494 1.050 1
1 904 . 10 1 1 A 81 81 GLU N N 81 122.400 122.777 -0.377 1
1 905 . 10 1 1 A 82 82 ARG H H 82 9.118 9.263 -0.145 1
1 906 . 10 1 1 A 82 82 ARG HA H 82 4.635 4.693 -0.058 1
1 914 . 10 1 1 A 82 82 ARG C C 82 175.222 174.793 0.429 1
1 915 . 10 1 1 A 82 82 ARG CA C 82 54.746 54.538 0.208 1
1 916 . 10 1 1 A 82 82 ARG CB C 82 33.719 31.864 1.855 1
1 919 . 10 1 1 A 82 82 ARG N N 82 121.851 124.432 -2.581 1
1 921 . 10 1 1 A 83 83 GLN H H 83 8.642 8.690 -0.048 1
1 922 . 10 1 1 A 83 83 GLN HA H 83 4.340 4.614 -0.274 1
1 927 . 10 1 1 A 83 83 GLN C C 83 175.705 175.486 0.219 1
1 928 . 10 1 1 A 83 83 GLN CA C 83 56.094 55.692 0.402 1
1 929 . 10 1 1 A 83 83 GLN CB C 83 29.424 29.753 -0.329 1
1 931 . 10 1 1 A 83 83 GLN N N 83 121.976 125.074 -3.098 1
1 932 . 10 1 1 A 84 84 VAL H H 84 8.818 8.091 0.727 1
1 933 . 10 1 1 A 84 84 VAL HA H 84 4.399 4.481 -0.082 1
1 941 . 10 1 1 A 84 84 VAL C C 84 174.439 175.274 -0.835 1
1 942 . 10 1 1 A 84 84 VAL CA C 84 59.977 59.266 0.711 1
1 943 . 10 1 1 A 84 84 VAL CB C 84 32.948 32.132 0.816 1
1 946 . 10 1 1 A 84 84 VAL N N 84 128.548 126.125 2.423 1
1 947 . 10 1 1 A 85 85 PRO HA H 85 4.313 4.260 0.053 1
1 954 . 10 1 1 A 85 85 PRO C C 85 178.026 177.501 0.525 1
1 955 . 10 1 1 A 85 85 PRO CA C 85 64.139 63.853 0.286 1
1 956 . 10 1 1 A 85 85 PRO CB C 85 31.744 31.338 0.406 1
1 959 . 10 1 1 A 86 86 GLY H H 86 8.815 8.829 -0.014 1
1 960 . 10 1 1 A 86 86 GLY HA2 H 86 3.751 3.863 -0.112 1
1 961 . 10 1 1 A 86 86 GLY HA3 H 86 4.148 3.865 0.283 1
1 962 . 10 1 1 A 86 86 GLY C C 86 173.673 173.263 0.410 1
1 963 . 10 1 1 A 86 86 GLY CA C 86 45.661 45.167 0.494 1
1 964 . 10 1 1 A 86 86 GLY N N 86 111.839 113.309 -1.470 1
1 965 . 10 1 1 A 87 87 SER H H 87 8.029 7.542 0.487 1
1 966 . 10 1 1 A 87 87 SER HA H 87 4.955 4.951 0.004 1
1 969 . 10 1 1 A 87 87 SER C C 87 174.293 174.217 0.076 1
1 970 . 10 1 1 A 87 87 SER CA C 87 56.119 57.428 -1.309 1
1 971 . 10 1 1 A 87 87 SER CB C 87 65.288 66.139 -0.851 1
1 972 . 10 1 1 A 87 87 SER N N 87 114.255 114.991 -0.736 1
1 973 . 10 1 1 A 88 88 THR H H 88 8.366 8.427 -0.061 1
1 974 . 10 1 1 A 88 88 THR HA H 88 4.438 4.371 0.067 1
1 979 . 10 1 1 A 88 88 THR C C 88 175.360 174.397 0.963 1
1 980 . 10 1 1 A 88 88 THR CA C 88 62.103 63.492 -1.389 1
1 981 . 10 1 1 A 88 88 THR CB C 88 69.017 69.653 -0.636 1
1 983 . 10 1 1 A 88 88 THR N N 88 112.921 118.867 -5.946 1
1 984 . 10 1 1 A 89 89 GLN H H 89 8.342 7.503 0.839 1
1 985 . 10 1 1 A 89 89 GLN HA H 89 4.382 4.614 -0.232 1
1 990 . 10 1 1 A 89 89 GLN C C 89 175.462 175.452 0.010 1
1 991 . 10 1 1 A 89 89 GLN CA C 89 55.599 54.979 0.620 1
1 992 . 10 1 1 A 89 89 GLN CB C 89 30.016 30.384 -0.368 1
1 994 . 10 1 1 A 89 89 GLN N N 89 122.086 117.504 4.582 1
1 995 . 10 1 1 A 90 90 LYS H H 90 8.584 8.628 -0.044 1
1 996 . 10 1 1 A 90 90 LYS HA H 90 4.779 4.978 -0.199 1
1 1005 . 10 1 1 A 90 90 LYS C C 90 175.897 175.444 0.453 1
1 1006 . 10 1 1 A 90 90 LYS CA C 90 55.590 55.474 0.116 1
1 1007 . 10 1 1 A 90 90 LYS CB C 90 34.742 34.385 0.357 1
1 1011 . 10 1 1 A 90 90 LYS N N 90 121.945 119.244 2.701 1
1 1012 . 10 1 1 A 91 91 ALA H H 91 8.975 9.244 -0.269 1
1 1013 . 10 1 1 A 91 91 ALA HA H 91 4.738 5.347 -0.609 1
1 1017 . 10 1 1 A 91 91 ALA C C 91 175.585 175.299 0.286 1
1 1018 . 10 1 1 A 91 91 ALA CA C 91 50.741 50.097 0.644 1
1 1019 . 10 1 1 A 91 91 ALA CB C 91 22.890 22.372 0.518 1
1 1020 . 10 1 1 A 91 91 ALA N N 91 124.604 123.724 0.880 1
1 1021 . 10 1 1 A 92 92 LEU H H 92 8.523 8.597 -0.074 1
1 1022 . 10 1 1 A 92 92 LEU HA H 92 4.707 4.856 -0.149 1
1 1032 . 10 1 1 A 92 92 LEU C C 92 174.752 174.250 0.502 1
1 1033 . 10 1 1 A 92 92 LEU CA C 92 55.285 53.840 1.445 1
1 1034 . 10 1 1 A 92 92 LEU CB C 92 43.267 43.413 -0.146 1
1 1038 . 10 1 1 A 92 92 LEU N N 92 123.888 124.514 -0.626 1
1 1039 . 10 1 1 A 93 93 TYR H H 93 9.289 9.212 0.077 1
1 1040 . 10 1 1 A 93 93 TYR HA H 93 5.269 5.599 -0.330 1
1 1047 . 10 1 1 A 93 93 TYR C C 93 174.528 175.577 -1.049 1
1 1048 . 10 1 1 A 93 93 TYR CA C 93 56.505 56.528 -0.023 1
1 1049 . 10 1 1 A 93 93 TYR CB C 93 41.881 41.656 0.225 1
1 1054 . 10 1 1 A 93 93 TYR N N 93 126.872 126.961 -0.089 1
1 1055 . 10 1 1 A 94 94 LEU H H 94 9.551 9.155 0.396 1
1 1056 . 10 1 1 A 94 94 LEU HA H 94 5.869 5.519 0.350 1
1 1066 . 10 1 1 A 94 94 LEU C C 94 173.433 174.881 -1.448 1
1 1067 . 10 1 1 A 94 94 LEU CA C 94 54.131 53.579 0.552 1
1 1068 . 10 1 1 A 94 94 LEU CB C 94 46.320 45.896 0.424 1
1 1072 . 10 1 1 A 94 94 LEU N N 94 117.884 122.532 -4.648 1
1 1073 . 10 1 1 A 95 95 ARG H H 95 8.603 8.672 -0.069 1
1 1074 . 10 1 1 A 95 95 ARG HA H 95 4.707 4.821 -0.114 1
1 1082 . 10 1 1 A 95 95 ARG C C 95 174.605 174.576 0.029 1
1 1083 . 10 1 1 A 95 95 ARG CA C 95 53.795 53.809 -0.014 1
1 1084 . 10 1 1 A 95 95 ARG CB C 95 33.468 33.335 0.133 1
1 1087 . 10 1 1 A 95 95 ARG N N 95 116.939 119.909 -2.970 1
1 1089 . 10 1 1 A 96 96 ALA H H 96 9.072 8.477 0.595 1
1 1090 . 10 1 1 A 96 96 ALA HA H 96 4.404 4.433 -0.029 1
1 1094 . 10 1 1 A 96 96 ALA C C 96 177.811 176.825 0.986 1
1 1095 . 10 1 1 A 96 96 ALA CA C 96 52.324 52.055 0.269 1
1 1096 . 10 1 1 A 96 96 ALA CB C 96 18.248 19.211 -0.963 1
1 1097 . 10 1 1 A 96 96 ALA N N 96 124.914 123.549 1.365 1
1 1098 . 10 1 1 A 97 97 LYS H H 97 7.989 8.441 -0.452 1
1 1099 . 10 1 1 A 97 97 LYS HA H 97 3.922 4.439 -0.517 1
1 1108 . 10 1 1 A 97 97 LYS C C 97 175.978 174.992 0.986 1
1 1109 . 10 1 1 A 97 97 LYS CA C 97 56.915 56.294 0.621 1
1 1110 . 10 1 1 A 97 97 LYS CB C 97 32.864 32.715 0.149 1
1 1114 . 10 1 1 A 97 97 LYS N N 97 123.129 123.100 0.029 1
1 1115 . 10 1 1 A 98 98 LEU H H 98 8.118 8.910 -0.792 1
1 1116 . 10 1 1 A 98 98 LEU HA H 98 4.321 5.069 -0.748 1
1 1126 . 10 1 1 A 98 98 LEU C C 98 176.592 175.345 1.247 1
1 1127 . 10 1 1 A 98 98 LEU CA C 98 54.627 53.357 1.270 1
1 1128 . 10 1 1 A 98 98 LEU CB C 98 42.566 43.439 -0.873 1
1 1132 . 10 1 1 A 98 98 LEU N N 98 123.816 129.518 -5.702 1
1 1133 . 10 1 1 A 99 99 GLU H H 99 8.376 8.834 -0.458 1
1 1134 . 10 1 1 A 99 99 GLU C C 99 175.790 175.281 0.509 1
1 1 . 11 1 1 A 5 5 SER H H 5 8.350 8.834 -0.484 1
1 2 . 11 1 1 A 5 5 SER N N 5 116.816 124.011 -7.195 1
1 3 . 11 1 1 A 9 9 GLN H H 9 8.479 8.755 -0.276 1
1 4 . 11 1 1 A 9 9 GLN N N 9 121.973 116.327 5.646 1
1 5 . 11 1 1 A 10 10 PRO HA H 10 4.392 4.532 -0.140 1
1 8 . 11 1 1 A 10 10 PRO C C 10 176.702 176.143 0.559 1
1 9 . 11 1 1 A 10 10 PRO CA C 10 63.029 62.911 0.118 1
1 10 . 11 1 1 A 10 10 PRO CB C 10 32.056 32.163 -0.107 1
1 11 . 11 1 1 A 11 11 ALA H H 11 8.421 8.391 0.030 1
1 12 . 11 1 1 A 11 11 ALA HA H 11 4.254 4.985 -0.731 1
1 16 . 11 1 1 A 11 11 ALA C C 11 177.592 176.947 0.645 1
1 17 . 11 1 1 A 11 11 ALA CA C 11 52.405 50.490 1.915 1
1 18 . 11 1 1 A 11 11 ALA CB C 11 19.242 22.838 -3.596 1
1 19 . 11 1 1 A 11 11 ALA N N 11 124.566 124.105 0.461 1
1 20 . 11 1 1 A 12 12 ALA H H 12 8.297 8.465 -0.168 1
1 21 . 11 1 1 A 12 12 ALA HA H 12 4.278 4.670 -0.392 1
1 25 . 11 1 1 A 12 12 ALA C C 12 177.607 177.241 0.366 1
1 26 . 11 1 1 A 12 12 ALA CA C 12 52.402 50.810 1.592 1
1 27 . 11 1 1 A 12 12 ALA CB C 12 19.397 19.325 0.072 1
1 28 . 11 1 1 A 12 12 ALA N N 12 123.470 122.730 0.740 1
1 29 . 11 1 1 A 13 13 GLN H H 13 8.302 7.638 0.664 1
1 30 . 11 1 1 A 13 13 GLN HA H 13 4.304 4.351 -0.047 1
1 33 . 11 1 1 A 13 13 GLN C C 13 175.344 175.291 0.053 1
1 34 . 11 1 1 A 13 13 GLN CA C 13 55.396 56.532 -1.136 1
1 35 . 11 1 1 A 13 13 GLN CB C 13 29.738 29.261 0.477 1
1 36 . 11 1 1 A 13 13 GLN N N 13 119.718 117.304 2.414 1
1 37 . 11 1 1 A 14 14 ALA H H 14 8.405 8.521 -0.116 1
1 38 . 11 1 1 A 14 14 ALA HA H 14 4.580 4.738 -0.158 1
1 42 . 11 1 1 A 14 14 ALA C C 14 175.619 175.793 -0.174 1
1 43 . 11 1 1 A 14 14 ALA CA C 14 50.607 48.784 1.823 1
1 44 . 11 1 1 A 14 14 ALA CB C 14 18.031 20.439 -2.408 1
1 45 . 11 1 1 A 14 14 ALA N N 14 127.291 124.234 3.057 1
1 46 . 11 1 1 A 15 15 PRO HA H 15 4.399 4.663 -0.264 1
1 49 . 11 1 1 A 15 15 PRO C C 15 177.086 176.930 0.156 1
1 50 . 11 1 1 A 15 15 PRO CA C 15 63.294 63.062 0.232 1
1 51 . 11 1 1 A 15 15 PRO CB C 15 31.988 32.106 -0.118 1
1 52 . 11 1 1 A 16 16 GLU H H 16 8.656 8.379 0.277 1
1 53 . 11 1 1 A 16 16 GLU HA H 16 4.306 4.491 -0.185 1
1 56 . 11 1 1 A 16 16 GLU C C 16 176.897 175.488 1.409 1
1 57 . 11 1 1 A 16 16 GLU CA C 16 56.771 55.223 1.548 1
1 58 . 11 1 1 A 16 16 GLU CB C 16 30.209 30.567 -0.358 1
1 59 . 11 1 1 A 16 16 GLU N N 16 120.957 118.828 2.129 1
1 60 . 11 1 1 A 17 17 THR H H 17 8.202 8.645 -0.443 1
1 61 . 11 1 1 A 17 17 THR HA H 17 4.336 4.992 -0.656 1
1 66 . 11 1 1 A 17 17 THR C C 17 174.612 173.239 1.373 1
1 67 . 11 1 1 A 17 17 THR CA C 17 61.981 61.661 0.320 1
1 68 . 11 1 1 A 17 17 THR CB C 17 69.928 70.925 -0.997 1
1 70 . 11 1 1 A 17 17 THR N N 17 115.763 114.048 1.715 1
1 71 . 11 1 1 A 18 18 LYS H H 18 8.373 8.813 -0.440 1
1 72 . 11 1 1 A 18 18 LYS HA H 18 4.365 4.725 -0.360 1
1 81 . 11 1 1 A 18 18 LYS C C 18 176.509 175.330 1.179 1
1 82 . 11 1 1 A 18 18 LYS CA C 18 56.348 55.019 1.329 1
1 83 . 11 1 1 A 18 18 LYS CB C 18 33.051 35.936 -2.885 1
1 87 . 11 1 1 A 18 18 LYS N N 18 123.975 128.010 -4.035 1
1 88 . 11 1 1 A 19 19 GLN H H 19 8.387 8.542 -0.155 1
1 89 . 11 1 1 A 19 19 GLN HA H 19 4.378 4.455 -0.077 1
1 96 . 11 1 1 A 19 19 GLN C C 19 175.630 176.019 -0.389 1
1 97 . 11 1 1 A 19 19 GLN CA C 19 55.614 55.359 0.255 1
1 98 . 11 1 1 A 19 19 GLN CB C 19 29.749 29.531 0.218 1
1 100 . 11 1 1 A 19 19 GLN N N 19 121.480 126.113 -4.633 1
1 102 . 11 1 1 A 20 20 ALA H H 20 8.505 8.592 -0.087 1
1 103 . 11 1 1 A 20 20 ALA HA H 20 4.449 4.758 -0.309 1
1 107 . 11 1 1 A 20 20 ALA C C 20 177.361 177.019 0.342 1
1 108 . 11 1 1 A 20 20 ALA CA C 20 52.165 50.921 1.244 1
1 109 . 11 1 1 A 20 20 ALA CB C 20 19.253 20.178 -0.925 1
1 110 . 11 1 1 A 20 20 ALA N N 20 125.974 124.466 1.508 1
1 111 . 11 1 1 A 21 21 PHE H H 21 8.851 8.915 -0.064 1
1 112 . 11 1 1 A 21 21 PHE HA H 21 4.422 4.848 -0.426 1
1 120 . 11 1 1 A 21 21 PHE C C 21 176.063 174.639 1.424 1
1 121 . 11 1 1 A 21 21 PHE CA C 21 56.142 57.161 -1.019 1
1 122 . 11 1 1 A 21 21 PHE CB C 21 39.867 38.740 1.127 1
1 128 . 11 1 1 A 21 21 PHE N N 21 124.486 122.522 1.964 1
1 129 . 11 1 1 A 22 22 PRO HA H 22 4.856 4.953 -0.097 1
1 136 . 11 1 1 A 22 22 PRO C C 22 174.848 177.293 -2.445 1
1 137 . 11 1 1 A 22 22 PRO CA C 22 62.078 62.255 -0.177 1
1 138 . 11 1 1 A 22 22 PRO CB C 22 28.563 30.412 -1.849 1
1 141 . 11 1 1 A 23 23 ARG H H 23 8.356 8.680 -0.324 1
1 142 . 11 1 1 A 23 23 ARG HA H 23 3.650 4.063 -0.413 1
1 149 . 11 1 1 A 23 23 ARG C C 23 176.762 178.301 -1.539 1
1 150 . 11 1 1 A 23 23 ARG CA C 23 60.448 58.412 2.036 1
1 151 . 11 1 1 A 23 23 ARG CB C 23 31.422 29.530 1.892 1
1 154 . 11 1 1 A 23 23 ARG N N 23 126.815 121.586 5.229 1
1 155 . 11 1 1 A 24 24 LYS H H 24 8.555 8.057 0.498 1
1 156 . 11 1 1 A 24 24 LYS HA H 24 3.926 4.044 -0.118 1
1 165 . 11 1 1 A 24 24 LYS C C 24 179.506 177.870 1.636 1
1 166 . 11 1 1 A 24 24 LYS CA C 24 59.888 58.611 1.277 1
1 167 . 11 1 1 A 24 24 LYS CB C 24 31.782 32.286 -0.504 1
1 171 . 11 1 1 A 24 24 LYS N N 24 116.573 118.641 -2.068 1
1 172 . 11 1 1 A 25 25 PHE H H 25 7.575 7.635 -0.060 1
1 173 . 11 1 1 A 25 25 PHE HA H 25 4.487 4.449 0.038 1
1 181 . 11 1 1 A 25 25 PHE C C 25 177.447 178.077 -0.630 1
1 182 . 11 1 1 A 25 25 PHE CA C 25 59.779 60.186 -0.407 1
1 183 . 11 1 1 A 25 25 PHE CB C 25 38.791 39.732 -0.941 1
1 189 . 11 1 1 A 25 25 PHE N N 25 118.123 117.420 0.703 1
1 190 . 11 1 1 A 26 26 VAL H H 26 8.024 8.617 -0.593 1
1 191 . 11 1 1 A 26 26 VAL HA H 26 3.608 3.679 -0.071 1
1 199 . 11 1 1 A 26 26 VAL C C 26 177.770 177.992 -0.222 1
1 200 . 11 1 1 A 26 26 VAL CA C 26 66.473 66.870 -0.397 1
1 201 . 11 1 1 A 26 26 VAL CB C 26 31.408 31.733 -0.325 1
1 204 . 11 1 1 A 26 26 VAL N N 26 117.081 119.452 -2.371 1
1 205 . 11 1 1 A 27 27 LEU H H 27 8.220 8.430 -0.210 1
1 206 . 11 1 1 A 27 27 LEU HA H 27 4.234 4.296 -0.062 1
1 216 . 11 1 1 A 27 27 LEU C C 27 180.010 179.732 0.278 1
1 217 . 11 1 1 A 27 27 LEU CA C 27 57.864 57.292 0.572 1
1 218 . 11 1 1 A 27 27 LEU CB C 27 40.488 40.734 -0.246 1
1 222 . 11 1 1 A 27 27 LEU N N 27 118.748 117.826 0.922 1
1 223 . 11 1 1 A 28 28 ALA H H 28 8.014 8.284 -0.270 1
1 224 . 11 1 1 A 28 28 ALA HA H 28 4.289 4.059 0.230 1
1 228 . 11 1 1 A 28 28 ALA C C 28 179.951 179.724 0.227 1
1 229 . 11 1 1 A 28 28 ALA CA C 28 55.110 55.340 -0.230 1
1 230 . 11 1 1 A 28 28 ALA CB C 28 17.970 18.132 -0.162 1
1 231 . 11 1 1 A 28 28 ALA N N 28 124.088 122.626 1.462 1
1 232 . 11 1 1 A 29 29 ALA H H 29 8.259 8.170 0.089 1
1 233 . 11 1 1 A 29 29 ALA HA H 29 3.942 4.526 -0.584 1
1 237 . 11 1 1 A 29 29 ALA C C 29 180.505 180.151 0.354 1
1 238 . 11 1 1 A 29 29 ALA CA C 29 54.976 55.346 -0.370 1
1 239 . 11 1 1 A 29 29 ALA CB C 29 17.923 18.083 -0.160 1
1 240 . 11 1 1 A 29 29 ALA N N 29 120.431 121.158 -0.727 1
1 241 . 11 1 1 A 30 30 LEU H H 30 8.098 8.396 -0.298 1
1 242 . 11 1 1 A 30 30 LEU HA H 30 4.007 4.310 -0.303 1
1 252 . 11 1 1 A 30 30 LEU C C 30 178.315 178.296 0.019 1
1 253 . 11 1 1 A 30 30 LEU CA C 30 58.096 58.398 -0.302 1
1 254 . 11 1 1 A 30 30 LEU CB C 30 41.486 41.766 -0.280 1
1 258 . 11 1 1 A 30 30 LEU N N 30 120.849 120.884 -0.035 1
1 259 . 11 1 1 A 31 31 GLU H H 31 8.115 8.706 -0.591 1
1 260 . 11 1 1 A 31 31 GLU HA H 31 3.967 4.070 -0.103 1
1 265 . 11 1 1 A 31 31 GLU C C 31 179.473 177.552 1.921 1
1 266 . 11 1 1 A 31 31 GLU CA C 31 59.683 58.849 0.834 1
1 267 . 11 1 1 A 31 31 GLU CB C 31 29.402 28.982 0.420 1
1 269 . 11 1 1 A 31 31 GLU N N 31 120.752 117.286 3.466 1
1 270 . 11 1 1 A 32 32 GLN H H 32 7.812 7.847 -0.035 1
1 271 . 11 1 1 A 32 32 GLN HA H 32 4.001 4.104 -0.103 1
1 278 . 11 1 1 A 32 32 GLN C C 32 176.519 176.961 -0.442 1
1 279 . 11 1 1 A 32 32 GLN CA C 32 57.576 57.368 0.208 1
1 280 . 11 1 1 A 32 32 GLN CB C 32 29.108 28.328 0.780 1
1 282 . 11 1 1 A 32 32 GLN N N 32 114.711 118.139 -3.428 1
1 284 . 11 1 1 A 33 33 SER H H 33 7.460 7.945 -0.485 1
1 285 . 11 1 1 A 33 33 SER HA H 33 4.257 4.636 -0.379 1
1 288 . 11 1 1 A 33 33 SER C C 33 174.508 173.751 0.757 1
1 289 . 11 1 1 A 33 33 SER CA C 33 58.504 57.898 0.606 1
1 290 . 11 1 1 A 33 33 SER CB C 33 65.131 64.357 0.774 1
1 291 . 11 1 1 A 33 33 SER N N 33 110.604 113.653 -3.049 1
1 292 . 11 1 1 A 34 34 SER H H 34 7.429 7.136 0.293 1
1 293 . 11 1 1 A 34 34 SER HA H 34 4.468 4.761 -0.293 1
1 296 . 11 1 1 A 34 34 SER C C 34 174.588 174.322 0.266 1
1 297 . 11 1 1 A 34 34 SER CA C 34 58.556 57.771 0.785 1
1 298 . 11 1 1 A 34 34 SER CB C 34 65.278 64.995 0.283 1
1 299 . 11 1 1 A 34 34 SER N N 34 117.544 118.823 -1.279 1
1 300 . 11 1 1 A 35 35 ASP H H 35 8.822 9.224 -0.402 1
1 301 . 11 1 1 A 35 35 ASP HA H 35 4.778 4.871 -0.093 1
1 304 . 11 1 1 A 35 35 ASP C C 35 178.268 177.598 0.670 1
1 305 . 11 1 1 A 35 35 ASP CA C 35 52.849 53.845 -0.996 1
1 306 . 11 1 1 A 35 35 ASP CB C 35 41.314 42.063 -0.749 1
1 307 . 11 1 1 A 35 35 ASP N N 35 121.575 122.787 -1.212 1
1 308 . 11 1 1 A 36 36 ASP H H 36 8.483 8.959 -0.476 1
1 309 . 11 1 1 A 36 36 ASP HA H 36 4.414 4.277 0.137 1
1 312 . 11 1 1 A 36 36 ASP C C 36 176.670 177.576 -0.906 1
1 313 . 11 1 1 A 36 36 ASP CA C 36 56.605 57.287 -0.682 1
1 314 . 11 1 1 A 36 36 ASP CB C 36 40.286 40.348 -0.062 1
1 315 . 11 1 1 A 36 36 ASP N N 36 117.398 122.559 -5.161 1
1 316 . 11 1 1 A 37 37 ALA H H 37 8.242 7.598 0.644 1
1 317 . 11 1 1 A 37 37 ALA HA H 37 4.532 4.391 0.141 1
1 321 . 11 1 1 A 37 37 ALA C C 37 177.407 177.725 -0.318 1
1 322 . 11 1 1 A 37 37 ALA CA C 37 51.677 52.186 -0.509 1
1 323 . 11 1 1 A 37 37 ALA CB C 37 19.774 19.349 0.425 1
1 324 . 11 1 1 A 37 37 ALA N N 37 122.052 118.287 3.765 1
1 325 . 11 1 1 A 38 38 GLY H H 38 8.155 7.940 0.215 1
1 326 . 11 1 1 A 38 38 GLY HA2 H 38 3.624 3.780 -0.156 1
1 327 . 11 1 1 A 38 38 GLY HA3 H 38 4.080 3.857 0.223 1
1 328 . 11 1 1 A 38 38 GLY C C 38 173.417 174.124 -0.707 1
1 329 . 11 1 1 A 38 38 GLY CA C 38 45.093 44.884 0.209 1
1 330 . 11 1 1 A 38 38 GLY N N 38 107.721 106.201 1.520 1
1 331 . 11 1 1 A 39 39 TRP H H 39 8.449 7.943 0.506 1
1 332 . 11 1 1 A 39 39 TRP HA H 39 5.054 4.590 0.464 1
1 341 . 11 1 1 A 39 39 TRP C C 39 176.577 176.313 0.264 1
1 342 . 11 1 1 A 39 39 TRP CA C 39 56.596 58.146 -1.550 1
1 343 . 11 1 1 A 39 39 TRP CB C 39 32.184 29.860 2.324 1
1 349 . 11 1 1 A 39 39 TRP N N 39 119.797 121.200 -1.403 1
1 351 . 11 1 1 A 40 40 ALA H H 40 9.855 9.470 0.385 1
1 352 . 11 1 1 A 40 40 ALA HA H 40 5.099 5.262 -0.163 1
1 356 . 11 1 1 A 40 40 ALA C C 40 176.165 176.529 -0.364 1
1 357 . 11 1 1 A 40 40 ALA CA C 40 50.202 50.432 -0.230 1
1 358 . 11 1 1 A 40 40 ALA CB C 40 23.153 20.799 2.354 1
1 359 . 11 1 1 A 40 40 ALA N N 40 124.618 126.611 -1.993 1
1 360 . 11 1 1 A 41 41 ASN H H 41 8.794 8.542 0.252 1
1 361 . 11 1 1 A 41 41 ASN HA H 41 3.771 4.265 -0.494 1
1 366 . 11 1 1 A 41 41 ASN C C 41 175.824 176.266 -0.442 1
1 367 . 11 1 1 A 41 41 ASN CA C 41 52.724 53.308 -0.584 1
1 368 . 11 1 1 A 41 41 ASN CB C 41 39.927 39.903 0.024 1
1 369 . 11 1 1 A 41 41 ASN N N 41 121.050 120.766 0.284 1
1 371 . 11 1 1 A 42 42 LEU H H 42 8.493 8.598 -0.105 1
1 372 . 11 1 1 A 42 42 LEU HA H 42 3.834 4.073 -0.239 1
1 382 . 11 1 1 A 42 42 LEU C C 42 178.256 179.084 -0.828 1
1 383 . 11 1 1 A 42 42 LEU CA C 42 58.859 58.380 0.479 1
1 384 . 11 1 1 A 42 42 LEU CB C 42 42.233 42.010 0.223 1
1 388 . 11 1 1 A 42 42 LEU N N 42 126.418 129.163 -2.745 1
1 389 . 11 1 1 A 43 43 GLY H H 43 8.440 8.199 0.241 1
1 390 . 11 1 1 A 43 43 GLY HA2 H 43 3.912 3.779 0.133 1
1 391 . 11 1 1 A 43 43 GLY HA3 H 43 3.822 3.794 0.028 1
1 392 . 11 1 1 A 43 43 GLY C C 43 176.344 176.345 -0.001 1
1 393 . 11 1 1 A 43 43 GLY CA C 43 47.070 47.431 -0.361 1
1 394 . 11 1 1 A 43 43 GLY N N 43 106.800 106.598 0.202 1
1 395 . 11 1 1 A 44 44 ASN H H 44 7.916 7.700 0.216 1
1 396 . 11 1 1 A 44 44 ASN HA H 44 4.472 4.504 -0.032 1
1 401 . 11 1 1 A 44 44 ASN C C 44 177.888 177.789 0.099 1
1 402 . 11 1 1 A 44 44 ASN CA C 44 56.004 55.735 0.269 1
1 403 . 11 1 1 A 44 44 ASN CB C 44 38.316 38.416 -0.100 1
1 404 . 11 1 1 A 44 44 ASN N N 44 121.472 120.312 1.160 1
1 406 . 11 1 1 A 45 45 PHE H H 45 8.563 8.258 0.305 1
1 407 . 11 1 1 A 45 45 PHE HA H 45 4.498 4.254 0.244 1
1 415 . 11 1 1 A 45 45 PHE C C 45 176.732 178.118 -1.386 1
1 416 . 11 1 1 A 45 45 PHE CA C 45 60.350 60.714 -0.364 1
1 417 . 11 1 1 A 45 45 PHE CB C 45 38.824 39.007 -0.183 1
1 423 . 11 1 1 A 45 45 PHE N N 45 121.835 122.312 -0.477 1
1 424 . 11 1 1 A 46 46 GLY H H 46 8.933 8.605 0.328 1
1 425 . 11 1 1 A 46 46 GLY HA2 H 46 3.820 3.563 0.257 1
1 426 . 11 1 1 A 46 46 GLY HA3 H 46 3.186 3.762 -0.576 1
1 427 . 11 1 1 A 46 46 GLY C C 46 176.053 175.491 0.562 1
1 428 . 11 1 1 A 46 46 GLY CA C 46 47.171 46.861 0.310 1
1 429 . 11 1 1 A 46 46 GLY N N 46 106.269 106.270 -0.001 1
1 430 . 11 1 1 A 47 47 ASN H H 47 7.812 7.834 -0.022 1
1 431 . 11 1 1 A 47 47 ASN HA H 47 4.470 4.467 0.003 1
1 436 . 11 1 1 A 47 47 ASN C C 47 178.087 177.041 1.046 1
1 437 . 11 1 1 A 47 47 ASN CA C 47 55.974 55.859 0.115 1
1 438 . 11 1 1 A 47 47 ASN CB C 47 38.149 38.937 -0.788 1
1 439 . 11 1 1 A 47 47 ASN N N 47 120.030 119.903 0.127 1
1 441 . 11 1 1 A 48 48 TYR H H 48 8.093 8.208 -0.115 1
1 442 . 11 1 1 A 48 48 TYR HA H 48 4.007 4.150 -0.143 1
1 449 . 11 1 1 A 48 48 TYR C C 48 178.310 177.420 0.890 1
1 450 . 11 1 1 A 48 48 TYR CA C 48 62.527 60.741 1.786 1
1 451 . 11 1 1 A 48 48 TYR CB C 48 38.254 38.858 -0.604 1
1 456 . 11 1 1 A 48 48 TYR N N 48 121.030 119.926 1.104 1
1 457 . 11 1 1 A 49 49 LEU H H 49 8.480 8.187 0.293 1
1 458 . 11 1 1 A 49 49 LEU HA H 49 3.624 3.932 -0.308 1
1 468 . 11 1 1 A 49 49 LEU C C 49 177.653 178.223 -0.570 1
1 469 . 11 1 1 A 49 49 LEU CA C 49 58.321 58.093 0.228 1
1 470 . 11 1 1 A 49 49 LEU CB C 49 41.046 41.365 -0.319 1
1 474 . 11 1 1 A 49 49 LEU N N 49 121.024 120.905 0.119 1
1 475 . 11 1 1 A 50 50 ASN H H 50 7.564 8.166 -0.602 1
1 476 . 11 1 1 A 50 50 ASN HA H 50 4.493 4.496 -0.003 1
1 481 . 11 1 1 A 50 50 ASN C C 50 176.498 177.707 -1.209 1
1 482 . 11 1 1 A 50 50 ASN CA C 50 55.479 56.025 -0.546 1
1 483 . 11 1 1 A 50 50 ASN CB C 50 39.302 39.259 0.043 1
1 484 . 11 1 1 A 50 50 ASN N N 50 114.582 116.911 -2.329 1
1 486 . 11 1 1 A 51 51 LYS H H 51 7.370 7.397 -0.027 1
1 487 . 11 1 1 A 51 51 LYS HA H 51 3.990 4.027 -0.037 1
1 496 . 11 1 1 A 51 51 LYS C C 51 178.403 178.999 -0.596 1
1 497 . 11 1 1 A 51 51 LYS CA C 51 58.512 59.313 -0.801 1
1 498 . 11 1 1 A 51 51 LYS CB C 51 32.245 32.360 -0.115 1
1 502 . 11 1 1 A 51 51 LYS N N 51 118.289 118.748 -0.459 1
1 503 . 11 1 1 A 52 52 LEU H H 52 7.518 7.371 0.147 1
1 504 . 11 1 1 A 52 52 LEU HA H 52 4.085 4.169 -0.084 1
1 514 . 11 1 1 A 52 52 LEU C C 52 177.924 176.768 1.156 1
1 515 . 11 1 1 A 52 52 LEU CA C 52 56.424 56.425 -0.001 1
1 516 . 11 1 1 A 52 52 LEU CB C 52 42.952 43.538 -0.586 1
1 520 . 11 1 1 A 52 52 LEU N N 52 117.841 118.616 -0.775 1
1 521 . 11 1 1 A 53 53 GLN H H 53 8.438 8.039 0.399 1
1 522 . 11 1 1 A 53 53 GLN HA H 53 4.583 4.729 -0.146 1
1 529 . 11 1 1 A 53 53 GLN C C 53 172.039 174.153 -2.114 1
1 530 . 11 1 1 A 53 53 GLN CA C 53 52.780 53.595 -0.815 1
1 531 . 11 1 1 A 53 53 GLN CB C 53 29.902 29.058 0.844 1
1 533 . 11 1 1 A 53 53 GLN N N 53 118.578 118.185 0.393 1
1 535 . 11 1 1 A 54 54 PRO HA H 54 4.718 4.457 0.261 1
1 542 . 11 1 1 A 54 54 PRO C C 54 177.295 177.398 -0.103 1
1 543 . 11 1 1 A 54 54 PRO CA C 54 64.754 64.510 0.244 1
1 544 . 11 1 1 A 54 54 PRO CB C 54 31.924 31.933 -0.009 1
1 547 . 11 1 1 A 55 55 ASP H H 55 8.349 8.331 0.018 1
1 548 . 11 1 1 A 55 55 ASP HA H 55 4.596 4.661 -0.065 1
1 551 . 11 1 1 A 55 55 ASP C C 55 176.361 175.983 0.378 1
1 552 . 11 1 1 A 55 55 ASP CA C 55 53.467 54.998 -1.531 1
1 553 . 11 1 1 A 55 55 ASP CB C 55 40.050 40.754 -0.704 1
1 554 . 11 1 1 A 55 55 ASP N N 55 114.766 116.571 -1.805 1
1 555 . 11 1 1 A 56 56 PHE H H 56 8.187 7.542 0.645 1
1 556 . 11 1 1 A 56 56 PHE HA H 56 4.055 4.856 -0.801 1
1 564 . 11 1 1 A 56 56 PHE C C 56 175.257 174.216 1.041 1
1 565 . 11 1 1 A 56 56 PHE CA C 56 61.149 56.546 4.603 1
1 566 . 11 1 1 A 56 56 PHE CB C 56 38.680 39.271 -0.591 1
1 572 . 11 1 1 A 56 56 PHE N N 56 122.323 121.285 1.038 1
1 573 . 11 1 1 A 57 57 ASP H H 57 6.887 8.474 -1.587 1
1 574 . 11 1 1 A 57 57 ASP HA H 57 4.670 5.065 -0.395 1
1 577 . 11 1 1 A 57 57 ASP C C 57 176.308 176.682 -0.374 1
1 578 . 11 1 1 A 57 57 ASP CA C 57 52.895 52.759 0.136 1
1 579 . 11 1 1 A 57 57 ASP CB C 57 42.942 43.277 -0.335 1
1 580 . 11 1 1 A 57 57 ASP N N 57 127.342 128.259 -0.917 1
1 581 . 11 1 1 A 58 58 SER H H 58 9.284 8.962 0.322 1
1 582 . 11 1 1 A 58 58 SER HA H 58 3.991 4.304 -0.313 1
1 585 . 11 1 1 A 58 58 SER C C 58 176.248 176.608 -0.360 1
1 586 . 11 1 1 A 58 58 SER CA C 58 63.050 61.507 1.543 1
1 587 . 11 1 1 A 58 58 SER CB C 58 63.339 62.743 0.596 1
1 588 . 11 1 1 A 58 58 SER N N 58 123.478 121.172 2.306 1
1 589 . 11 1 1 A 59 59 ARG H H 59 8.639 7.934 0.705 1
1 590 . 11 1 1 A 59 59 ARG HA H 59 4.073 4.320 -0.247 1
1 597 . 11 1 1 A 59 59 ARG C C 59 180.693 178.846 1.847 1
1 598 . 11 1 1 A 59 59 ARG CA C 59 58.787 58.960 -0.173 1
1 599 . 11 1 1 A 59 59 ARG CB C 59 29.824 29.861 -0.037 1
1 602 . 11 1 1 A 59 59 ARG N N 59 123.207 122.536 0.671 1
1 603 . 11 1 1 A 60 60 LEU H H 60 7.460 7.901 -0.441 1
1 604 . 11 1 1 A 60 60 LEU HA H 60 3.841 3.927 -0.086 1
1 614 . 11 1 1 A 60 60 LEU C C 60 177.018 177.345 -0.327 1
1 615 . 11 1 1 A 60 60 LEU CA C 60 56.556 57.111 -0.555 1
1 616 . 11 1 1 A 60 60 LEU CB C 60 41.013 41.189 -0.176 1
1 620 . 11 1 1 A 60 60 LEU N N 60 120.191 118.869 1.322 1
1 621 . 11 1 1 A 61 61 TYR H H 61 7.200 7.750 -0.550 1
1 622 . 11 1 1 A 61 61 TYR HA H 61 4.781 4.701 0.080 1
1 629 . 11 1 1 A 61 61 TYR C C 61 175.303 175.688 -0.385 1
1 630 . 11 1 1 A 61 61 TYR CA C 61 56.371 57.783 -1.412 1
1 631 . 11 1 1 A 61 61 TYR CB C 61 38.825 38.831 -0.006 1
1 636 . 11 1 1 A 61 61 TYR N N 61 114.720 116.666 -1.946 1
1 637 . 11 1 1 A 62 62 GLY H H 62 7.354 7.975 -0.621 1
1 638 . 11 1 1 A 62 62 GLY HA2 H 62 3.968 3.866 0.102 1
1 639 . 11 1 1 A 62 62 GLY HA3 H 62 3.552 3.925 -0.373 1
1 640 . 11 1 1 A 62 62 GLY C C 62 173.542 174.229 -0.687 1
1 641 . 11 1 1 A 62 62 GLY CA C 62 44.889 45.720 -0.831 1
1 642 . 11 1 1 A 62 62 GLY N N 62 104.100 108.847 -4.747 1
1 643 . 11 1 1 A 63 63 TYR H H 63 7.377 7.509 -0.132 1
1 644 . 11 1 1 A 63 63 TYR HA H 63 4.937 4.581 0.356 1
1 651 . 11 1 1 A 63 63 TYR C C 63 175.675 176.221 -0.546 1
1 652 . 11 1 1 A 63 63 TYR CA C 63 56.902 58.475 -1.573 1
1 653 . 11 1 1 A 63 63 TYR CB C 63 42.609 40.036 2.573 1
1 658 . 11 1 1 A 63 63 TYR N N 63 117.874 119.210 -1.336 1
1 659 . 11 1 1 A 64 64 LYS H H 64 9.403 8.960 0.443 1
1 660 . 11 1 1 A 64 64 LYS HA H 64 3.914 4.250 -0.336 1
1 669 . 11 1 1 A 64 64 LYS C C 64 176.334 176.487 -0.153 1
1 670 . 11 1 1 A 64 64 LYS CA C 64 59.534 57.992 1.542 1
1 671 . 11 1 1 A 64 64 LYS CB C 64 32.892 33.210 -0.318 1
1 675 . 11 1 1 A 64 64 LYS N N 64 123.946 123.431 0.515 1
1 676 . 11 1 1 A 65 65 LYS H H 65 7.635 7.579 0.056 1
1 677 . 11 1 1 A 65 65 LYS HA H 65 4.787 4.692 0.095 1
1 686 . 11 1 1 A 65 65 LYS C C 65 177.231 176.540 0.691 1
1 687 . 11 1 1 A 65 65 LYS CA C 65 54.089 55.246 -1.157 1
1 688 . 11 1 1 A 65 65 LYS CB C 65 35.722 34.469 1.253 1
1 692 . 11 1 1 A 65 65 LYS N N 65 112.461 114.999 -2.538 1
1 693 . 11 1 1 A 66 66 LEU H H 66 9.090 8.805 0.285 1
1 694 . 11 1 1 A 66 66 LEU HA H 66 4.240 4.031 0.209 1
1 704 . 11 1 1 A 66 66 LEU C C 66 178.820 178.747 0.073 1
1 705 . 11 1 1 A 66 66 LEU CA C 66 58.129 58.274 -0.145 1
1 706 . 11 1 1 A 66 66 LEU CB C 66 41.476 41.351 0.125 1
1 710 . 11 1 1 A 66 66 LEU N N 66 124.584 121.607 2.977 1
1 711 . 11 1 1 A 67 67 SER H H 67 8.867 8.009 0.858 1
1 712 . 11 1 1 A 67 67 SER HA H 67 3.697 4.088 -0.391 1
1 715 . 11 1 1 A 67 67 SER C C 67 175.588 175.822 -0.234 1
1 716 . 11 1 1 A 67 67 SER CA C 67 61.518 62.375 -0.857 1
1 717 . 11 1 1 A 67 67 SER CB C 67 61.537 63.179 -1.642 1
1 718 . 11 1 1 A 67 67 SER N N 67 112.095 115.138 -3.043 1
1 719 . 11 1 1 A 68 68 ASP H H 68 6.783 7.734 -0.951 1
1 720 . 11 1 1 A 68 68 ASP HA H 68 4.356 4.440 -0.084 1
1 723 . 11 1 1 A 68 68 ASP C C 68 177.827 178.339 -0.512 1
1 724 . 11 1 1 A 68 68 ASP CA C 68 57.170 56.359 0.811 1
1 725 . 11 1 1 A 68 68 ASP CB C 68 41.380 40.849 0.531 1
1 726 . 11 1 1 A 68 68 ASP N N 68 119.720 121.675 -1.955 1
1 727 . 11 1 1 A 69 69 LEU H H 69 7.153 7.647 -0.494 1
1 728 . 11 1 1 A 69 69 LEU HA H 69 2.561 2.955 -0.394 1
1 738 . 11 1 1 A 69 69 LEU C C 69 177.830 178.354 -0.524 1
1 739 . 11 1 1 A 69 69 LEU CA C 69 58.843 57.845 0.998 1
1 740 . 11 1 1 A 69 69 LEU CB C 69 42.203 41.568 0.635 1
1 744 . 11 1 1 A 69 69 LEU N N 69 122.181 120.619 1.562 1
1 745 . 11 1 1 A 70 70 VAL H H 70 8.167 8.012 0.155 1
1 746 . 11 1 1 A 70 70 VAL HA H 70 3.509 3.591 -0.082 1
1 754 . 11 1 1 A 70 70 VAL C C 70 177.695 178.090 -0.395 1
1 755 . 11 1 1 A 70 70 VAL CA C 70 65.582 67.152 -1.570 1
1 756 . 11 1 1 A 70 70 VAL CB C 70 31.409 31.377 0.032 1
1 759 . 11 1 1 A 70 70 VAL N N 70 116.117 119.261 -3.144 1
1 760 . 11 1 1 A 71 71 LYS H H 71 7.665 7.927 -0.262 1
1 761 . 11 1 1 A 71 71 LYS HA H 71 3.854 4.149 -0.295 1
1 770 . 11 1 1 A 71 71 LYS C C 71 177.406 178.049 -0.643 1
1 771 . 11 1 1 A 71 71 LYS CA C 71 59.175 58.738 0.437 1
1 772 . 11 1 1 A 71 71 LYS CB C 71 32.804 31.693 1.111 1
1 776 . 11 1 1 A 71 71 LYS N N 71 116.326 119.851 -3.525 1
1 777 . 11 1 1 A 72 72 ALA H H 72 7.506 7.380 0.126 1
1 778 . 11 1 1 A 72 72 ALA HA H 72 4.391 4.279 0.112 1
1 782 . 11 1 1 A 72 72 ALA C C 72 180.756 177.688 3.068 1
1 783 . 11 1 1 A 72 72 ALA CA C 72 53.691 53.016 0.675 1
1 784 . 11 1 1 A 72 72 ALA CB C 72 20.243 19.650 0.593 1
1 785 . 11 1 1 A 72 72 ALA N N 72 118.313 120.669 -2.356 1
1 786 . 11 1 1 A 73 73 ARG H H 73 7.603 7.694 -0.091 1
1 787 . 11 1 1 A 73 73 ARG HA H 73 4.872 4.677 0.195 1
1 795 . 11 1 1 A 73 73 ARG C C 73 177.558 176.535 1.023 1
1 796 . 11 1 1 A 73 73 ARG CA C 73 51.230 54.883 -3.653 1
1 797 . 11 1 1 A 73 73 ARG CB C 73 25.568 29.829 -4.261 1
1 800 . 11 1 1 A 73 73 ARG N N 73 118.690 117.262 1.428 1
1 802 . 11 1 1 A 74 74 THR H H 74 8.261 7.926 0.335 1
1 803 . 11 1 1 A 74 74 THR HA H 74 4.552 4.510 0.042 1
1 808 . 11 1 1 A 74 74 THR C C 74 174.706 176.058 -1.352 1
1 809 . 11 1 1 A 74 74 THR CA C 74 62.876 64.791 -1.915 1
1 810 . 11 1 1 A 74 74 THR CB C 74 68.716 68.351 0.365 1
1 812 . 11 1 1 A 74 74 THR N N 74 115.950 112.673 3.277 1
1 813 . 11 1 1 A 75 75 ASP H H 75 9.542 8.160 1.382 1
1 814 . 11 1 1 A 75 75 ASP HA H 75 4.310 4.376 -0.066 1
1 817 . 11 1 1 A 75 75 ASP C C 75 175.958 177.089 -1.131 1
1 818 . 11 1 1 A 75 75 ASP CA C 75 54.476 56.654 -2.178 1
1 819 . 11 1 1 A 75 75 ASP CB C 75 38.969 41.278 -2.309 1
1 820 . 11 1 1 A 75 75 ASP N N 75 116.582 122.066 -5.484 1
1 821 . 11 1 1 A 76 76 LEU H H 76 7.078 7.528 -0.450 1
1 822 . 11 1 1 A 76 76 LEU HA H 76 4.225 4.044 0.181 1
1 832 . 11 1 1 A 76 76 LEU C C 76 177.244 176.028 1.216 1
1 833 . 11 1 1 A 76 76 LEU CA C 76 55.349 55.849 -0.500 1
1 834 . 11 1 1 A 76 76 LEU CB C 76 43.508 43.207 0.301 1
1 838 . 11 1 1 A 76 76 LEU N N 76 117.639 117.004 0.635 1
1 839 . 11 1 1 A 77 77 PHE H H 77 7.977 7.784 0.193 1
1 840 . 11 1 1 A 77 77 PHE HA H 77 5.648 5.015 0.633 1
1 848 . 11 1 1 A 77 77 PHE C C 77 175.868 174.675 1.193 1
1 849 . 11 1 1 A 77 77 PHE CA C 77 54.878 56.330 -1.452 1
1 850 . 11 1 1 A 77 77 PHE CB C 77 42.833 41.630 1.203 1
1 856 . 11 1 1 A 77 77 PHE N N 77 115.989 115.337 0.652 1
1 857 . 11 1 1 A 78 78 VAL H H 78 8.863 9.192 -0.329 1
1 858 . 11 1 1 A 78 78 VAL HA H 78 4.425 4.505 -0.080 1
1 866 . 11 1 1 A 78 78 VAL C C 78 175.288 175.710 -0.422 1
1 867 . 11 1 1 A 78 78 VAL CA C 78 61.575 62.742 -1.167 1
1 868 . 11 1 1 A 78 78 VAL CB C 78 33.988 31.694 2.294 1
1 871 . 11 1 1 A 78 78 VAL N N 78 123.339 123.720 -0.381 1
1 872 . 11 1 1 A 79 79 THR H H 79 8.305 9.004 -0.699 1
1 873 . 11 1 1 A 79 79 THR HA H 79 5.882 5.598 0.284 1
1 878 . 11 1 1 A 79 79 THR C C 79 174.566 173.886 0.680 1
1 879 . 11 1 1 A 79 79 THR CA C 79 59.476 60.502 -1.026 1
1 880 . 11 1 1 A 79 79 THR CB C 79 73.090 70.831 2.259 1
1 882 . 11 1 1 A 79 79 THR N N 79 113.057 119.641 -6.584 1
1 883 . 11 1 1 A 80 80 GLU H H 80 8.962 8.573 0.389 1
1 884 . 11 1 1 A 80 80 GLU HA H 80 4.589 4.824 -0.235 1
1 889 . 11 1 1 A 80 80 GLU C C 80 174.040 175.737 -1.697 1
1 890 . 11 1 1 A 80 80 GLU CA C 80 55.878 54.942 0.936 1
1 891 . 11 1 1 A 80 80 GLU CB C 80 33.399 33.906 -0.507 1
1 893 . 11 1 1 A 80 80 GLU N N 80 117.934 122.744 -4.810 1
1 894 . 11 1 1 A 81 81 GLU H H 81 8.687 8.657 0.030 1
1 895 . 11 1 1 A 81 81 GLU HA H 81 5.213 4.692 0.521 1
1 900 . 11 1 1 A 81 81 GLU C C 81 176.406 175.468 0.938 1
1 901 . 11 1 1 A 81 81 GLU CA C 81 55.186 56.098 -0.912 1
1 902 . 11 1 1 A 81 81 GLU CB C 81 31.544 30.620 0.924 1
1 904 . 11 1 1 A 81 81 GLU N N 81 122.400 122.328 0.072 1
1 905 . 11 1 1 A 82 82 ARG H H 82 9.118 9.079 0.039 1
1 906 . 11 1 1 A 82 82 ARG HA H 82 4.635 4.668 -0.033 1
1 914 . 11 1 1 A 82 82 ARG C C 82 175.222 174.816 0.406 1
1 915 . 11 1 1 A 82 82 ARG CA C 82 54.746 54.310 0.436 1
1 916 . 11 1 1 A 82 82 ARG CB C 82 33.719 33.338 0.381 1
1 919 . 11 1 1 A 82 82 ARG N N 82 121.851 124.818 -2.967 1
1 921 . 11 1 1 A 83 83 GLN H H 83 8.642 8.612 0.030 1
1 922 . 11 1 1 A 83 83 GLN HA H 83 4.340 4.643 -0.303 1
1 927 . 11 1 1 A 83 83 GLN C C 83 175.705 175.535 0.170 1
1 928 . 11 1 1 A 83 83 GLN CA C 83 56.094 55.705 0.389 1
1 929 . 11 1 1 A 83 83 GLN CB C 83 29.424 29.530 -0.106 1
1 931 . 11 1 1 A 83 83 GLN N N 83 121.976 123.816 -1.840 1
1 932 . 11 1 1 A 84 84 VAL H H 84 8.818 8.098 0.720 1
1 933 . 11 1 1 A 84 84 VAL HA H 84 4.399 4.546 -0.147 1
1 941 . 11 1 1 A 84 84 VAL C C 84 174.439 174.482 -0.043 1
1 942 . 11 1 1 A 84 84 VAL CA C 84 59.977 59.412 0.565 1
1 943 . 11 1 1 A 84 84 VAL CB C 84 32.948 31.961 0.987 1
1 946 . 11 1 1 A 84 84 VAL N N 84 128.548 126.310 2.238 1
1 947 . 11 1 1 A 85 85 PRO HA H 85 4.313 4.271 0.042 1
1 954 . 11 1 1 A 85 85 PRO C C 85 178.026 177.346 0.680 1
1 955 . 11 1 1 A 85 85 PRO CA C 85 64.139 64.432 -0.293 1
1 956 . 11 1 1 A 85 85 PRO CB C 85 31.744 31.447 0.297 1
1 959 . 11 1 1 A 86 86 GLY H H 86 8.815 8.821 -0.006 1
1 960 . 11 1 1 A 86 86 GLY HA2 H 86 3.751 3.894 -0.143 1
1 961 . 11 1 1 A 86 86 GLY HA3 H 86 4.148 3.897 0.251 1
1 962 . 11 1 1 A 86 86 GLY C C 86 173.673 173.395 0.278 1
1 963 . 11 1 1 A 86 86 GLY CA C 86 45.661 45.164 0.497 1
1 964 . 11 1 1 A 86 86 GLY N N 86 111.839 113.507 -1.668 1
1 965 . 11 1 1 A 87 87 SER H H 87 8.029 7.985 0.044 1
1 966 . 11 1 1 A 87 87 SER HA H 87 4.955 4.721 0.234 1
1 969 . 11 1 1 A 87 87 SER C C 87 174.293 173.946 0.347 1
1 970 . 11 1 1 A 87 87 SER CA C 87 56.119 57.745 -1.626 1
1 971 . 11 1 1 A 87 87 SER CB C 87 65.288 65.202 0.086 1
1 972 . 11 1 1 A 87 87 SER N N 87 114.255 116.550 -2.295 1
1 973 . 11 1 1 A 88 88 THR H H 88 8.366 8.385 -0.019 1
1 974 . 11 1 1 A 88 88 THR HA H 88 4.438 4.315 0.123 1
1 979 . 11 1 1 A 88 88 THR C C 88 175.360 174.351 1.009 1
1 980 . 11 1 1 A 88 88 THR CA C 88 62.103 63.625 -1.522 1
1 981 . 11 1 1 A 88 88 THR CB C 88 69.017 69.601 -0.584 1
1 983 . 11 1 1 A 88 88 THR N N 88 112.921 119.520 -6.599 1
1 984 . 11 1 1 A 89 89 GLN H H 89 8.342 7.564 0.778 1
1 985 . 11 1 1 A 89 89 GLN HA H 89 4.382 4.410 -0.028 1
1 990 . 11 1 1 A 89 89 GLN C C 89 175.462 175.694 -0.232 1
1 991 . 11 1 1 A 89 89 GLN CA C 89 55.599 55.399 0.200 1
1 992 . 11 1 1 A 89 89 GLN CB C 89 30.016 30.092 -0.076 1
1 994 . 11 1 1 A 89 89 GLN N N 89 122.086 117.712 4.374 1
1 995 . 11 1 1 A 90 90 LYS H H 90 8.584 8.398 0.186 1
1 996 . 11 1 1 A 90 90 LYS HA H 90 4.779 4.851 -0.072 1
1 1005 . 11 1 1 A 90 90 LYS C C 90 175.897 175.509 0.388 1
1 1006 . 11 1 1 A 90 90 LYS CA C 90 55.590 55.568 0.022 1
1 1007 . 11 1 1 A 90 90 LYS CB C 90 34.742 33.953 0.789 1
1 1011 . 11 1 1 A 90 90 LYS N N 90 121.945 119.480 2.465 1
1 1012 . 11 1 1 A 91 91 ALA H H 91 8.975 8.920 0.055 1
1 1013 . 11 1 1 A 91 91 ALA HA H 91 4.738 5.193 -0.455 1
1 1017 . 11 1 1 A 91 91 ALA C C 91 175.585 174.843 0.742 1
1 1018 . 11 1 1 A 91 91 ALA CA C 91 50.741 50.189 0.552 1
1 1019 . 11 1 1 A 91 91 ALA CB C 91 22.890 23.376 -0.486 1
1 1020 . 11 1 1 A 91 91 ALA N N 91 124.604 121.822 2.782 1
1 1021 . 11 1 1 A 92 92 LEU H H 92 8.523 8.407 0.116 1
1 1022 . 11 1 1 A 92 92 LEU HA H 92 4.707 4.790 -0.083 1
1 1032 . 11 1 1 A 92 92 LEU C C 92 174.752 174.091 0.661 1
1 1033 . 11 1 1 A 92 92 LEU CA C 92 55.285 54.018 1.267 1
1 1034 . 11 1 1 A 92 92 LEU CB C 92 43.267 42.930 0.337 1
1 1038 . 11 1 1 A 92 92 LEU N N 92 123.888 123.752 0.136 1
1 1039 . 11 1 1 A 93 93 TYR H H 93 9.289 9.125 0.164 1
1 1040 . 11 1 1 A 93 93 TYR HA H 93 5.269 5.408 -0.139 1
1 1047 . 11 1 1 A 93 93 TYR C C 93 174.528 175.506 -0.978 1
1 1048 . 11 1 1 A 93 93 TYR CA C 93 56.505 56.757 -0.252 1
1 1049 . 11 1 1 A 93 93 TYR CB C 93 41.881 41.379 0.502 1
1 1054 . 11 1 1 A 93 93 TYR N N 93 126.872 127.644 -0.772 1
1 1055 . 11 1 1 A 94 94 LEU H H 94 9.551 9.129 0.422 1
1 1056 . 11 1 1 A 94 94 LEU HA H 94 5.869 5.572 0.297 1
1 1066 . 11 1 1 A 94 94 LEU C C 94 173.433 174.859 -1.426 1
1 1067 . 11 1 1 A 94 94 LEU CA C 94 54.131 53.392 0.739 1
1 1068 . 11 1 1 A 94 94 LEU CB C 94 46.320 45.658 0.662 1
1 1072 . 11 1 1 A 94 94 LEU N N 94 117.884 122.875 -4.991 1
1 1073 . 11 1 1 A 95 95 ARG H H 95 8.603 8.626 -0.023 1
1 1074 . 11 1 1 A 95 95 ARG HA H 95 4.707 4.819 -0.112 1
1 1082 . 11 1 1 A 95 95 ARG C C 95 174.605 174.519 0.086 1
1 1083 . 11 1 1 A 95 95 ARG CA C 95 53.795 53.693 0.102 1
1 1084 . 11 1 1 A 95 95 ARG CB C 95 33.468 33.284 0.184 1
1 1087 . 11 1 1 A 95 95 ARG N N 95 116.939 120.930 -3.991 1
1 1089 . 11 1 1 A 96 96 ALA H H 96 9.072 8.475 0.597 1
1 1090 . 11 1 1 A 96 96 ALA HA H 96 4.404 4.381 0.023 1
1 1094 . 11 1 1 A 96 96 ALA C C 96 177.811 176.888 0.923 1
1 1095 . 11 1 1 A 96 96 ALA CA C 96 52.324 52.149 0.175 1
1 1096 . 11 1 1 A 96 96 ALA CB C 96 18.248 19.143 -0.895 1
1 1097 . 11 1 1 A 96 96 ALA N N 96 124.914 123.534 1.380 1
1 1098 . 11 1 1 A 97 97 LYS H H 97 7.989 8.149 -0.160 1
1 1099 . 11 1 1 A 97 97 LYS HA H 97 3.922 4.473 -0.551 1
1 1108 . 11 1 1 A 97 97 LYS C C 97 175.978 175.473 0.505 1
1 1109 . 11 1 1 A 97 97 LYS CA C 97 56.915 56.174 0.741 1
1 1110 . 11 1 1 A 97 97 LYS CB C 97 32.864 32.960 -0.096 1
1 1114 . 11 1 1 A 97 97 LYS N N 97 123.129 122.910 0.219 1
1 1115 . 11 1 1 A 98 98 LEU H H 98 8.118 9.048 -0.930 1
1 1116 . 11 1 1 A 98 98 LEU HA H 98 4.321 4.695 -0.374 1
1 1126 . 11 1 1 A 98 98 LEU C C 98 176.592 176.603 -0.011 1
1 1127 . 11 1 1 A 98 98 LEU CA C 98 54.627 53.950 0.677 1
1 1128 . 11 1 1 A 98 98 LEU CB C 98 42.566 42.281 0.285 1
1 1132 . 11 1 1 A 98 98 LEU N N 98 123.816 129.564 -5.748 1
1 1133 . 11 1 1 A 99 99 GLU H H 99 8.376 8.429 -0.053 1
1 1134 . 11 1 1 A 99 99 GLU C C 99 175.790 176.046 -0.256 1
1 1 . 12 1 1 A 5 5 SER H H 5 8.350 7.734 0.616 1
1 2 . 12 1 1 A 5 5 SER N N 5 116.816 115.683 1.133 1
1 3 . 12 1 1 A 9 9 GLN H H 9 8.479 7.485 0.994 1
1 4 . 12 1 1 A 9 9 GLN N N 9 121.973 120.323 1.650 1
1 5 . 12 1 1 A 10 10 PRO HA H 10 4.392 4.637 -0.245 1
1 8 . 12 1 1 A 10 10 PRO C C 10 176.702 176.176 0.526 1
1 9 . 12 1 1 A 10 10 PRO CA C 10 63.029 62.417 0.612 1
1 10 . 12 1 1 A 10 10 PRO CB C 10 32.056 32.614 -0.558 1
1 11 . 12 1 1 A 11 11 ALA H H 11 8.421 8.357 0.064 1
1 12 . 12 1 1 A 11 11 ALA HA H 11 4.254 4.312 -0.058 1
1 16 . 12 1 1 A 11 11 ALA C C 11 177.592 176.629 0.963 1
1 17 . 12 1 1 A 11 11 ALA CA C 11 52.405 51.793 0.612 1
1 18 . 12 1 1 A 11 11 ALA CB C 11 19.242 17.752 1.490 1
1 19 . 12 1 1 A 11 11 ALA N N 11 124.566 123.084 1.482 1
1 20 . 12 1 1 A 12 12 ALA H H 12 8.297 8.685 -0.388 1
1 21 . 12 1 1 A 12 12 ALA HA H 12 4.278 5.080 -0.802 1
1 25 . 12 1 1 A 12 12 ALA C C 12 177.607 176.808 0.799 1
1 26 . 12 1 1 A 12 12 ALA CA C 12 52.402 50.335 2.067 1
1 27 . 12 1 1 A 12 12 ALA CB C 12 19.397 20.682 -1.285 1
1 28 . 12 1 1 A 12 12 ALA N N 12 123.470 124.993 -1.523 1
1 29 . 12 1 1 A 13 13 GLN H H 13 8.302 8.748 -0.446 1
1 30 . 12 1 1 A 13 13 GLN HA H 13 4.304 4.632 -0.328 1
1 33 . 12 1 1 A 13 13 GLN C C 13 175.344 175.389 -0.045 1
1 34 . 12 1 1 A 13 13 GLN CA C 13 55.396 55.390 0.006 1
1 35 . 12 1 1 A 13 13 GLN CB C 13 29.738 30.304 -0.566 1
1 36 . 12 1 1 A 13 13 GLN N N 13 119.718 122.863 -3.145 1
1 37 . 12 1 1 A 14 14 ALA H H 14 8.405 8.680 -0.275 1
1 38 . 12 1 1 A 14 14 ALA HA H 14 4.580 4.885 -0.305 1
1 42 . 12 1 1 A 14 14 ALA C C 14 175.619 175.639 -0.020 1
1 43 . 12 1 1 A 14 14 ALA CA C 14 50.607 49.664 0.943 1
1 44 . 12 1 1 A 14 14 ALA CB C 14 18.031 20.412 -2.381 1
1 45 . 12 1 1 A 14 14 ALA N N 14 127.291 123.527 3.764 1
1 46 . 12 1 1 A 15 15 PRO HA H 15 4.399 4.593 -0.194 1
1 49 . 12 1 1 A 15 15 PRO C C 15 177.086 176.328 0.758 1
1 50 . 12 1 1 A 15 15 PRO CA C 15 63.294 62.266 1.028 1
1 51 . 12 1 1 A 15 15 PRO CB C 15 31.988 32.566 -0.578 1
1 52 . 12 1 1 A 16 16 GLU H H 16 8.656 8.554 0.102 1
1 53 . 12 1 1 A 16 16 GLU HA H 16 4.306 4.448 -0.142 1
1 56 . 12 1 1 A 16 16 GLU C C 16 176.897 177.042 -0.145 1
1 57 . 12 1 1 A 16 16 GLU CA C 16 56.771 56.547 0.224 1
1 58 . 12 1 1 A 16 16 GLU CB C 16 30.209 30.442 -0.233 1
1 59 . 12 1 1 A 16 16 GLU N N 16 120.957 120.755 0.202 1
1 60 . 12 1 1 A 17 17 THR H H 17 8.202 8.261 -0.059 1
1 61 . 12 1 1 A 17 17 THR HA H 17 4.336 4.231 0.105 1
1 66 . 12 1 1 A 17 17 THR C C 17 174.612 174.389 0.223 1
1 67 . 12 1 1 A 17 17 THR CA C 17 61.981 63.509 -1.528 1
1 68 . 12 1 1 A 17 17 THR CB C 17 69.928 69.745 0.183 1
1 70 . 12 1 1 A 17 17 THR N N 17 115.763 116.244 -0.481 1
1 71 . 12 1 1 A 18 18 LYS H H 18 8.373 8.524 -0.151 1
1 72 . 12 1 1 A 18 18 LYS HA H 18 4.365 4.911 -0.546 1
1 81 . 12 1 1 A 18 18 LYS C C 18 176.509 174.599 1.910 1
1 82 . 12 1 1 A 18 18 LYS CA C 18 56.348 54.815 1.533 1
1 83 . 12 1 1 A 18 18 LYS CB C 18 33.051 36.098 -3.047 1
1 87 . 12 1 1 A 18 18 LYS N N 18 123.975 124.921 -0.946 1
1 88 . 12 1 1 A 19 19 GLN H H 19 8.387 8.475 -0.088 1
1 89 . 12 1 1 A 19 19 GLN HA H 19 4.378 4.629 -0.251 1
1 96 . 12 1 1 A 19 19 GLN C C 19 175.630 175.906 -0.276 1
1 97 . 12 1 1 A 19 19 GLN CA C 19 55.614 54.349 1.265 1
1 98 . 12 1 1 A 19 19 GLN CB C 19 29.749 30.360 -0.611 1
1 100 . 12 1 1 A 19 19 GLN N N 19 121.480 125.013 -3.533 1
1 102 . 12 1 1 A 20 20 ALA H H 20 8.505 8.553 -0.048 1
1 103 . 12 1 1 A 20 20 ALA HA H 20 4.449 4.414 0.035 1
1 107 . 12 1 1 A 20 20 ALA C C 20 177.361 177.202 0.159 1
1 108 . 12 1 1 A 20 20 ALA CA C 20 52.165 52.315 -0.150 1
1 109 . 12 1 1 A 20 20 ALA CB C 20 19.253 19.032 0.221 1
1 110 . 12 1 1 A 20 20 ALA N N 20 125.974 125.994 -0.020 1
1 111 . 12 1 1 A 21 21 PHE H H 21 8.851 8.768 0.083 1
1 112 . 12 1 1 A 21 21 PHE HA H 21 4.422 4.970 -0.548 1
1 120 . 12 1 1 A 21 21 PHE C C 21 176.063 174.685 1.378 1
1 121 . 12 1 1 A 21 21 PHE CA C 21 56.142 56.606 -0.464 1
1 122 . 12 1 1 A 21 21 PHE CB C 21 39.867 38.900 0.967 1
1 128 . 12 1 1 A 21 21 PHE N N 21 124.486 122.472 2.014 1
1 129 . 12 1 1 A 22 22 PRO HA H 22 4.856 4.955 -0.099 1
1 136 . 12 1 1 A 22 22 PRO C C 22 174.848 177.203 -2.355 1
1 137 . 12 1 1 A 22 22 PRO CA C 22 62.078 62.357 -0.279 1
1 138 . 12 1 1 A 22 22 PRO CB C 22 28.563 30.418 -1.855 1
1 141 . 12 1 1 A 23 23 ARG H H 23 8.356 8.661 -0.305 1
1 142 . 12 1 1 A 23 23 ARG HA H 23 3.650 4.035 -0.385 1
1 149 . 12 1 1 A 23 23 ARG C C 23 176.762 178.671 -1.909 1
1 150 . 12 1 1 A 23 23 ARG CA C 23 60.448 58.880 1.568 1
1 151 . 12 1 1 A 23 23 ARG CB C 23 31.422 29.756 1.666 1
1 154 . 12 1 1 A 23 23 ARG N N 23 126.815 121.556 5.259 1
1 155 . 12 1 1 A 24 24 LYS H H 24 8.555 7.898 0.657 1
1 156 . 12 1 1 A 24 24 LYS HA H 24 3.926 4.011 -0.085 1
1 165 . 12 1 1 A 24 24 LYS C C 24 179.506 179.458 0.048 1
1 166 . 12 1 1 A 24 24 LYS CA C 24 59.888 59.122 0.766 1
1 167 . 12 1 1 A 24 24 LYS CB C 24 31.782 31.967 -0.185 1
1 171 . 12 1 1 A 24 24 LYS N N 24 116.573 119.388 -2.815 1
1 172 . 12 1 1 A 25 25 PHE H H 25 7.575 8.051 -0.476 1
1 173 . 12 1 1 A 25 25 PHE HA H 25 4.487 4.330 0.157 1
1 181 . 12 1 1 A 25 25 PHE C C 25 177.447 178.351 -0.904 1
1 182 . 12 1 1 A 25 25 PHE CA C 25 59.779 60.779 -1.000 1
1 183 . 12 1 1 A 25 25 PHE CB C 25 38.791 38.545 0.246 1
1 189 . 12 1 1 A 25 25 PHE N N 25 118.123 119.975 -1.852 1
1 190 . 12 1 1 A 26 26 VAL H H 26 8.024 8.398 -0.374 1
1 191 . 12 1 1 A 26 26 VAL HA H 26 3.608 3.715 -0.107 1
1 199 . 12 1 1 A 26 26 VAL C C 26 177.770 178.184 -0.414 1
1 200 . 12 1 1 A 26 26 VAL CA C 26 66.473 66.871 -0.398 1
1 201 . 12 1 1 A 26 26 VAL CB C 26 31.408 31.258 0.150 1
1 204 . 12 1 1 A 26 26 VAL N N 26 117.081 119.325 -2.244 1
1 205 . 12 1 1 A 27 27 LEU H H 27 8.220 8.489 -0.269 1
1 206 . 12 1 1 A 27 27 LEU HA H 27 4.234 4.378 -0.144 1
1 216 . 12 1 1 A 27 27 LEU C C 27 180.010 179.772 0.238 1
1 217 . 12 1 1 A 27 27 LEU CA C 27 57.864 57.300 0.564 1
1 218 . 12 1 1 A 27 27 LEU CB C 27 40.488 40.548 -0.060 1
1 222 . 12 1 1 A 27 27 LEU N N 27 118.748 118.442 0.306 1
1 223 . 12 1 1 A 28 28 ALA H H 28 8.014 7.605 0.409 1
1 224 . 12 1 1 A 28 28 ALA HA H 28 4.289 4.107 0.182 1
1 228 . 12 1 1 A 28 28 ALA C C 28 179.951 179.842 0.109 1
1 229 . 12 1 1 A 28 28 ALA CA C 28 55.110 55.106 0.004 1
1 230 . 12 1 1 A 28 28 ALA CB C 28 17.970 18.026 -0.056 1
1 231 . 12 1 1 A 28 28 ALA N N 28 124.088 122.546 1.542 1
1 232 . 12 1 1 A 29 29 ALA H H 29 8.259 8.278 -0.019 1
1 233 . 12 1 1 A 29 29 ALA HA H 29 3.942 4.418 -0.476 1
1 237 . 12 1 1 A 29 29 ALA C C 29 180.505 180.201 0.304 1
1 238 . 12 1 1 A 29 29 ALA CA C 29 54.976 55.408 -0.432 1
1 239 . 12 1 1 A 29 29 ALA CB C 29 17.923 18.103 -0.180 1
1 240 . 12 1 1 A 29 29 ALA N N 29 120.431 121.233 -0.802 1
1 241 . 12 1 1 A 30 30 LEU H H 30 8.098 8.483 -0.385 1
1 242 . 12 1 1 A 30 30 LEU HA H 30 4.007 4.364 -0.357 1
1 252 . 12 1 1 A 30 30 LEU C C 30 178.315 178.239 0.076 1
1 253 . 12 1 1 A 30 30 LEU CA C 30 58.096 58.610 -0.514 1
1 254 . 12 1 1 A 30 30 LEU CB C 30 41.486 41.990 -0.504 1
1 258 . 12 1 1 A 30 30 LEU N N 30 120.849 120.824 0.025 1
1 259 . 12 1 1 A 31 31 GLU H H 31 8.115 8.452 -0.337 1
1 260 . 12 1 1 A 31 31 GLU HA H 31 3.967 4.040 -0.073 1
1 265 . 12 1 1 A 31 31 GLU C C 31 179.473 177.999 1.474 1
1 266 . 12 1 1 A 31 31 GLU CA C 31 59.683 58.824 0.859 1
1 267 . 12 1 1 A 31 31 GLU CB C 31 29.402 28.800 0.602 1
1 269 . 12 1 1 A 31 31 GLU N N 31 120.752 117.490 3.262 1
1 270 . 12 1 1 A 32 32 GLN H H 32 7.812 7.674 0.138 1
1 271 . 12 1 1 A 32 32 GLN HA H 32 4.001 4.091 -0.090 1
1 278 . 12 1 1 A 32 32 GLN C C 32 176.519 176.282 0.237 1
1 279 . 12 1 1 A 32 32 GLN CA C 32 57.576 57.899 -0.323 1
1 280 . 12 1 1 A 32 32 GLN CB C 32 29.108 28.281 0.827 1
1 282 . 12 1 1 A 32 32 GLN N N 32 114.711 118.993 -4.282 1
1 284 . 12 1 1 A 33 33 SER H H 33 7.460 7.504 -0.044 1
1 285 . 12 1 1 A 33 33 SER HA H 33 4.257 4.444 -0.187 1
1 288 . 12 1 1 A 33 33 SER C C 33 174.508 174.365 0.143 1
1 289 . 12 1 1 A 33 33 SER CA C 33 58.504 59.410 -0.906 1
1 290 . 12 1 1 A 33 33 SER CB C 33 65.131 64.354 0.777 1
1 291 . 12 1 1 A 33 33 SER N N 33 110.604 113.747 -3.143 1
1 292 . 12 1 1 A 34 34 SER H H 34 7.429 7.954 -0.525 1
1 293 . 12 1 1 A 34 34 SER HA H 34 4.468 4.558 -0.090 1
1 296 . 12 1 1 A 34 34 SER C C 34 174.588 174.103 0.485 1
1 297 . 12 1 1 A 34 34 SER CA C 34 58.556 60.346 -1.790 1
1 298 . 12 1 1 A 34 34 SER CB C 34 65.278 63.592 1.686 1
1 299 . 12 1 1 A 34 34 SER N N 34 117.544 117.934 -0.390 1
1 300 . 12 1 1 A 35 35 ASP H H 35 8.822 9.171 -0.349 1
1 301 . 12 1 1 A 35 35 ASP HA H 35 4.778 4.848 -0.070 1
1 304 . 12 1 1 A 35 35 ASP C C 35 178.268 177.527 0.741 1
1 305 . 12 1 1 A 35 35 ASP CA C 35 52.849 53.760 -0.911 1
1 306 . 12 1 1 A 35 35 ASP CB C 35 41.314 42.200 -0.886 1
1 307 . 12 1 1 A 35 35 ASP N N 35 121.575 124.830 -3.255 1
1 308 . 12 1 1 A 36 36 ASP H H 36 8.483 8.898 -0.415 1
1 309 . 12 1 1 A 36 36 ASP HA H 36 4.414 4.294 0.120 1
1 312 . 12 1 1 A 36 36 ASP C C 36 176.670 177.477 -0.807 1
1 313 . 12 1 1 A 36 36 ASP CA C 36 56.605 58.181 -1.576 1
1 314 . 12 1 1 A 36 36 ASP CB C 36 40.286 41.121 -0.835 1
1 315 . 12 1 1 A 36 36 ASP N N 36 117.398 122.458 -5.060 1
1 316 . 12 1 1 A 37 37 ALA H H 37 8.242 7.500 0.742 1
1 317 . 12 1 1 A 37 37 ALA HA H 37 4.532 4.360 0.172 1
1 321 . 12 1 1 A 37 37 ALA C C 37 177.407 177.919 -0.512 1
1 322 . 12 1 1 A 37 37 ALA CA C 37 51.677 51.977 -0.300 1
1 323 . 12 1 1 A 37 37 ALA CB C 37 19.774 19.347 0.427 1
1 324 . 12 1 1 A 37 37 ALA N N 37 122.052 118.083 3.969 1
1 325 . 12 1 1 A 38 38 GLY H H 38 8.155 8.330 -0.175 1
1 326 . 12 1 1 A 38 38 GLY HA2 H 38 3.624 3.732 -0.108 1
1 327 . 12 1 1 A 38 38 GLY HA3 H 38 4.080 3.850 0.230 1
1 328 . 12 1 1 A 38 38 GLY C C 38 173.417 173.982 -0.565 1
1 329 . 12 1 1 A 38 38 GLY CA C 38 45.093 45.569 -0.476 1
1 330 . 12 1 1 A 38 38 GLY N N 38 107.721 107.274 0.447 1
1 331 . 12 1 1 A 39 39 TRP H H 39 8.449 7.903 0.546 1
1 332 . 12 1 1 A 39 39 TRP HA H 39 5.054 4.718 0.336 1
1 341 . 12 1 1 A 39 39 TRP C C 39 176.577 176.369 0.208 1
1 342 . 12 1 1 A 39 39 TRP CA C 39 56.596 58.080 -1.484 1
1 343 . 12 1 1 A 39 39 TRP CB C 39 32.184 30.151 2.033 1
1 349 . 12 1 1 A 39 39 TRP N N 39 119.797 120.952 -1.155 1
1 351 . 12 1 1 A 40 40 ALA H H 40 9.855 9.195 0.660 1
1 352 . 12 1 1 A 40 40 ALA HA H 40 5.099 5.221 -0.122 1
1 356 . 12 1 1 A 40 40 ALA C C 40 176.165 176.118 0.047 1
1 357 . 12 1 1 A 40 40 ALA CA C 40 50.202 50.234 -0.032 1
1 358 . 12 1 1 A 40 40 ALA CB C 40 23.153 21.900 1.253 1
1 359 . 12 1 1 A 40 40 ALA N N 40 124.618 126.132 -1.514 1
1 360 . 12 1 1 A 41 41 ASN H H 41 8.794 8.586 0.208 1
1 361 . 12 1 1 A 41 41 ASN HA H 41 3.771 3.889 -0.118 1
1 366 . 12 1 1 A 41 41 ASN C C 41 175.824 176.176 -0.352 1
1 367 . 12 1 1 A 41 41 ASN CA C 41 52.724 53.138 -0.414 1
1 368 . 12 1 1 A 41 41 ASN CB C 41 39.927 39.611 0.316 1
1 369 . 12 1 1 A 41 41 ASN N N 41 121.050 121.771 -0.721 1
1 371 . 12 1 1 A 42 42 LEU H H 42 8.493 8.650 -0.157 1
1 372 . 12 1 1 A 42 42 LEU HA H 42 3.834 4.030 -0.196 1
1 382 . 12 1 1 A 42 42 LEU C C 42 178.256 179.140 -0.884 1
1 383 . 12 1 1 A 42 42 LEU CA C 42 58.859 58.269 0.590 1
1 384 . 12 1 1 A 42 42 LEU CB C 42 42.233 41.748 0.485 1
1 388 . 12 1 1 A 42 42 LEU N N 42 126.418 129.073 -2.655 1
1 389 . 12 1 1 A 43 43 GLY H H 43 8.440 8.235 0.205 1
1 390 . 12 1 1 A 43 43 GLY HA2 H 43 3.912 3.753 0.159 1
1 391 . 12 1 1 A 43 43 GLY HA3 H 43 3.822 3.772 0.050 1
1 392 . 12 1 1 A 43 43 GLY C C 43 176.344 176.085 0.259 1
1 393 . 12 1 1 A 43 43 GLY CA C 43 47.070 47.532 -0.462 1
1 394 . 12 1 1 A 43 43 GLY N N 43 106.800 106.679 0.121 1
1 395 . 12 1 1 A 44 44 ASN H H 44 7.916 7.562 0.354 1
1 396 . 12 1 1 A 44 44 ASN HA H 44 4.472 4.497 -0.025 1
1 401 . 12 1 1 A 44 44 ASN C C 44 177.888 177.779 0.109 1
1 402 . 12 1 1 A 44 44 ASN CA C 44 56.004 55.706 0.298 1
1 403 . 12 1 1 A 44 44 ASN CB C 44 38.316 38.287 0.029 1
1 404 . 12 1 1 A 44 44 ASN N N 44 121.472 120.237 1.235 1
1 406 . 12 1 1 A 45 45 PHE H H 45 8.563 8.373 0.190 1
1 407 . 12 1 1 A 45 45 PHE HA H 45 4.498 4.353 0.145 1
1 415 . 12 1 1 A 45 45 PHE C C 45 176.732 177.962 -1.230 1
1 416 . 12 1 1 A 45 45 PHE CA C 45 60.350 60.471 -0.121 1
1 417 . 12 1 1 A 45 45 PHE CB C 45 38.824 39.077 -0.253 1
1 423 . 12 1 1 A 45 45 PHE N N 45 121.835 122.184 -0.349 1
1 424 . 12 1 1 A 46 46 GLY H H 46 8.933 8.874 0.059 1
1 425 . 12 1 1 A 46 46 GLY HA2 H 46 3.820 3.437 0.383 1
1 426 . 12 1 1 A 46 46 GLY HA3 H 46 3.186 3.644 -0.458 1
1 427 . 12 1 1 A 46 46 GLY C C 46 176.053 175.599 0.454 1
1 428 . 12 1 1 A 46 46 GLY CA C 46 47.171 46.949 0.222 1
1 429 . 12 1 1 A 46 46 GLY N N 46 106.269 106.503 -0.234 1
1 430 . 12 1 1 A 47 47 ASN H H 47 7.812 7.810 0.002 1
1 431 . 12 1 1 A 47 47 ASN HA H 47 4.470 4.406 0.064 1
1 436 . 12 1 1 A 47 47 ASN C C 47 178.087 177.309 0.778 1
1 437 . 12 1 1 A 47 47 ASN CA C 47 55.974 56.098 -0.124 1
1 438 . 12 1 1 A 47 47 ASN CB C 47 38.149 39.036 -0.887 1
1 439 . 12 1 1 A 47 47 ASN N N 47 120.030 119.834 0.196 1
1 441 . 12 1 1 A 48 48 TYR H H 48 8.093 8.194 -0.101 1
1 442 . 12 1 1 A 48 48 TYR HA H 48 4.007 4.192 -0.185 1
1 449 . 12 1 1 A 48 48 TYR C C 48 178.310 177.488 0.822 1
1 450 . 12 1 1 A 48 48 TYR CA C 48 62.527 61.227 1.300 1
1 451 . 12 1 1 A 48 48 TYR CB C 48 38.254 38.909 -0.655 1
1 456 . 12 1 1 A 48 48 TYR N N 48 121.030 120.128 0.902 1
1 457 . 12 1 1 A 49 49 LEU H H 49 8.480 8.329 0.151 1
1 458 . 12 1 1 A 49 49 LEU HA H 49 3.624 3.871 -0.247 1
1 468 . 12 1 1 A 49 49 LEU C C 49 177.653 178.230 -0.577 1
1 469 . 12 1 1 A 49 49 LEU CA C 49 58.321 57.986 0.335 1
1 470 . 12 1 1 A 49 49 LEU CB C 49 41.046 40.937 0.109 1
1 474 . 12 1 1 A 49 49 LEU N N 49 121.024 121.063 -0.039 1
1 475 . 12 1 1 A 50 50 ASN H H 50 7.564 7.843 -0.279 1
1 476 . 12 1 1 A 50 50 ASN HA H 50 4.493 4.562 -0.069 1
1 481 . 12 1 1 A 50 50 ASN C C 50 176.498 177.400 -0.902 1
1 482 . 12 1 1 A 50 50 ASN CA C 50 55.479 55.368 0.111 1
1 483 . 12 1 1 A 50 50 ASN CB C 50 39.302 39.152 0.150 1
1 484 . 12 1 1 A 50 50 ASN N N 50 114.582 116.421 -1.839 1
1 486 . 12 1 1 A 51 51 LYS H H 51 7.370 7.925 -0.555 1
1 487 . 12 1 1 A 51 51 LYS HA H 51 3.990 3.945 0.045 1
1 496 . 12 1 1 A 51 51 LYS C C 51 178.403 178.847 -0.444 1
1 497 . 12 1 1 A 51 51 LYS CA C 51 58.512 59.371 -0.859 1
1 498 . 12 1 1 A 51 51 LYS CB C 51 32.245 32.285 -0.040 1
1 502 . 12 1 1 A 51 51 LYS N N 51 118.289 118.569 -0.280 1
1 503 . 12 1 1 A 52 52 LEU H H 52 7.518 7.197 0.321 1
1 504 . 12 1 1 A 52 52 LEU HA H 52 4.085 4.153 -0.068 1
1 514 . 12 1 1 A 52 52 LEU C C 52 177.924 176.777 1.147 1
1 515 . 12 1 1 A 52 52 LEU CA C 52 56.424 56.423 0.001 1
1 516 . 12 1 1 A 52 52 LEU CB C 52 42.952 43.431 -0.479 1
1 520 . 12 1 1 A 52 52 LEU N N 52 117.841 118.613 -0.772 1
1 521 . 12 1 1 A 53 53 GLN H H 53 8.438 7.957 0.481 1
1 522 . 12 1 1 A 53 53 GLN HA H 53 4.583 4.710 -0.127 1
1 529 . 12 1 1 A 53 53 GLN C C 53 172.039 174.129 -2.090 1
1 530 . 12 1 1 A 53 53 GLN CA C 53 52.780 53.492 -0.712 1
1 531 . 12 1 1 A 53 53 GLN CB C 53 29.902 29.180 0.722 1
1 533 . 12 1 1 A 53 53 GLN N N 53 118.578 118.256 0.322 1
1 535 . 12 1 1 A 54 54 PRO HA H 54 4.718 4.382 0.336 1
1 542 . 12 1 1 A 54 54 PRO C C 54 177.295 177.686 -0.391 1
1 543 . 12 1 1 A 54 54 PRO CA C 54 64.754 64.735 0.019 1
1 544 . 12 1 1 A 54 54 PRO CB C 54 31.924 31.986 -0.062 1
1 547 . 12 1 1 A 55 55 ASP H H 55 8.349 8.449 -0.100 1
1 548 . 12 1 1 A 55 55 ASP HA H 55 4.596 4.506 0.090 1
1 551 . 12 1 1 A 55 55 ASP C C 55 176.361 176.294 0.067 1
1 552 . 12 1 1 A 55 55 ASP CA C 55 53.467 55.646 -2.179 1
1 553 . 12 1 1 A 55 55 ASP CB C 55 40.050 40.266 -0.216 1
1 554 . 12 1 1 A 55 55 ASP N N 55 114.766 116.627 -1.861 1
1 555 . 12 1 1 A 56 56 PHE H H 56 8.187 7.619 0.568 1
1 556 . 12 1 1 A 56 56 PHE HA H 56 4.055 4.922 -0.867 1
1 564 . 12 1 1 A 56 56 PHE C C 56 175.257 174.114 1.143 1
1 565 . 12 1 1 A 56 56 PHE CA C 56 61.149 56.474 4.675 1
1 566 . 12 1 1 A 56 56 PHE CB C 56 38.680 39.296 -0.616 1
1 572 . 12 1 1 A 56 56 PHE N N 56 122.323 121.021 1.302 1
1 573 . 12 1 1 A 57 57 ASP H H 57 6.887 8.524 -1.637 1
1 574 . 12 1 1 A 57 57 ASP HA H 57 4.670 5.009 -0.339 1
1 577 . 12 1 1 A 57 57 ASP C C 57 176.308 176.306 0.002 1
1 578 . 12 1 1 A 57 57 ASP CA C 57 52.895 52.815 0.080 1
1 579 . 12 1 1 A 57 57 ASP CB C 57 42.942 43.273 -0.331 1
1 580 . 12 1 1 A 57 57 ASP N N 57 127.342 128.459 -1.117 1
1 581 . 12 1 1 A 58 58 SER H H 58 9.284 9.128 0.156 1
1 582 . 12 1 1 A 58 58 SER HA H 58 3.991 4.117 -0.126 1
1 585 . 12 1 1 A 58 58 SER C C 58 176.248 176.702 -0.454 1
1 586 . 12 1 1 A 58 58 SER CA C 58 63.050 61.887 1.163 1
1 587 . 12 1 1 A 58 58 SER CB C 58 63.339 63.256 0.083 1
1 588 . 12 1 1 A 58 58 SER N N 58 123.478 121.128 2.350 1
1 589 . 12 1 1 A 59 59 ARG H H 59 8.639 7.703 0.936 1
1 590 . 12 1 1 A 59 59 ARG HA H 59 4.073 4.263 -0.190 1
1 597 . 12 1 1 A 59 59 ARG C C 59 180.693 178.992 1.701 1
1 598 . 12 1 1 A 59 59 ARG CA C 59 58.787 58.740 0.047 1
1 599 . 12 1 1 A 59 59 ARG CB C 59 29.824 30.086 -0.262 1
1 602 . 12 1 1 A 59 59 ARG N N 59 123.207 122.025 1.182 1
1 603 . 12 1 1 A 60 60 LEU H H 60 7.460 7.470 -0.010 1
1 604 . 12 1 1 A 60 60 LEU HA H 60 3.841 4.023 -0.182 1
1 614 . 12 1 1 A 60 60 LEU C C 60 177.018 177.283 -0.265 1
1 615 . 12 1 1 A 60 60 LEU CA C 60 56.556 56.876 -0.320 1
1 616 . 12 1 1 A 60 60 LEU CB C 60 41.013 41.271 -0.258 1
1 620 . 12 1 1 A 60 60 LEU N N 60 120.191 118.584 1.607 1
1 621 . 12 1 1 A 61 61 TYR H H 61 7.200 7.807 -0.607 1
1 622 . 12 1 1 A 61 61 TYR HA H 61 4.781 4.692 0.089 1
1 629 . 12 1 1 A 61 61 TYR C C 61 175.303 175.694 -0.391 1
1 630 . 12 1 1 A 61 61 TYR CA C 61 56.371 57.835 -1.464 1
1 631 . 12 1 1 A 61 61 TYR CB C 61 38.825 38.943 -0.118 1
1 636 . 12 1 1 A 61 61 TYR N N 61 114.720 116.723 -2.003 1
1 637 . 12 1 1 A 62 62 GLY H H 62 7.354 7.873 -0.519 1
1 638 . 12 1 1 A 62 62 GLY HA2 H 62 3.968 3.875 0.093 1
1 639 . 12 1 1 A 62 62 GLY HA3 H 62 3.552 3.924 -0.372 1
1 640 . 12 1 1 A 62 62 GLY C C 62 173.542 174.305 -0.763 1
1 641 . 12 1 1 A 62 62 GLY CA C 62 44.889 45.950 -1.061 1
1 642 . 12 1 1 A 62 62 GLY N N 62 104.100 108.978 -4.878 1
1 643 . 12 1 1 A 63 63 TYR H H 63 7.377 7.571 -0.194 1
1 644 . 12 1 1 A 63 63 TYR HA H 63 4.937 4.607 0.330 1
1 651 . 12 1 1 A 63 63 TYR C C 63 175.675 176.154 -0.479 1
1 652 . 12 1 1 A 63 63 TYR CA C 63 56.902 58.376 -1.474 1
1 653 . 12 1 1 A 63 63 TYR CB C 63 42.609 39.987 2.622 1
1 658 . 12 1 1 A 63 63 TYR N N 63 117.874 119.245 -1.371 1
1 659 . 12 1 1 A 64 64 LYS H H 64 9.403 8.990 0.413 1
1 660 . 12 1 1 A 64 64 LYS HA H 64 3.914 4.270 -0.356 1
1 669 . 12 1 1 A 64 64 LYS C C 64 176.334 176.450 -0.116 1
1 670 . 12 1 1 A 64 64 LYS CA C 64 59.534 57.546 1.988 1
1 671 . 12 1 1 A 64 64 LYS CB C 64 32.892 33.112 -0.220 1
1 675 . 12 1 1 A 64 64 LYS N N 64 123.946 123.241 0.705 1
1 676 . 12 1 1 A 65 65 LYS H H 65 7.635 7.612 0.023 1
1 677 . 12 1 1 A 65 65 LYS HA H 65 4.787 4.623 0.164 1
1 686 . 12 1 1 A 65 65 LYS C C 65 177.231 176.360 0.871 1
1 687 . 12 1 1 A 65 65 LYS CA C 65 54.089 55.199 -1.110 1
1 688 . 12 1 1 A 65 65 LYS CB C 65 35.722 34.075 1.647 1
1 692 . 12 1 1 A 65 65 LYS N N 65 112.461 114.754 -2.293 1
1 693 . 12 1 1 A 66 66 LEU H H 66 9.090 8.744 0.346 1
1 694 . 12 1 1 A 66 66 LEU HA H 66 4.240 4.301 -0.061 1
1 704 . 12 1 1 A 66 66 LEU C C 66 178.820 178.743 0.077 1
1 705 . 12 1 1 A 66 66 LEU CA C 66 58.129 58.219 -0.090 1
1 706 . 12 1 1 A 66 66 LEU CB C 66 41.476 41.365 0.111 1
1 710 . 12 1 1 A 66 66 LEU N N 66 124.584 121.642 2.942 1
1 711 . 12 1 1 A 67 67 SER H H 67 8.867 7.993 0.874 1
1 712 . 12 1 1 A 67 67 SER HA H 67 3.697 4.058 -0.361 1
1 715 . 12 1 1 A 67 67 SER C C 67 175.588 175.867 -0.279 1
1 716 . 12 1 1 A 67 67 SER CA C 67 61.518 62.345 -0.827 1
1 717 . 12 1 1 A 67 67 SER CB C 67 61.537 63.007 -1.470 1
1 718 . 12 1 1 A 67 67 SER N N 67 112.095 115.868 -3.773 1
1 719 . 12 1 1 A 68 68 ASP H H 68 6.783 7.632 -0.849 1
1 720 . 12 1 1 A 68 68 ASP HA H 68 4.356 4.470 -0.114 1
1 723 . 12 1 1 A 68 68 ASP C C 68 177.827 178.406 -0.579 1
1 724 . 12 1 1 A 68 68 ASP CA C 68 57.170 56.497 0.673 1
1 725 . 12 1 1 A 68 68 ASP CB C 68 41.380 40.983 0.397 1
1 726 . 12 1 1 A 68 68 ASP N N 68 119.720 121.730 -2.010 1
1 727 . 12 1 1 A 69 69 LEU H H 69 7.153 7.470 -0.317 1
1 728 . 12 1 1 A 69 69 LEU HA H 69 2.561 3.258 -0.697 1
1 738 . 12 1 1 A 69 69 LEU C C 69 177.830 178.479 -0.649 1
1 739 . 12 1 1 A 69 69 LEU CA C 69 58.843 57.829 1.014 1
1 740 . 12 1 1 A 69 69 LEU CB C 69 42.203 41.534 0.669 1
1 744 . 12 1 1 A 69 69 LEU N N 69 122.181 120.578 1.603 1
1 745 . 12 1 1 A 70 70 VAL H H 70 8.167 8.186 -0.019 1
1 746 . 12 1 1 A 70 70 VAL HA H 70 3.509 3.635 -0.126 1
1 754 . 12 1 1 A 70 70 VAL C C 70 177.695 178.103 -0.408 1
1 755 . 12 1 1 A 70 70 VAL CA C 70 65.582 67.318 -1.736 1
1 756 . 12 1 1 A 70 70 VAL CB C 70 31.409 31.558 -0.149 1
1 759 . 12 1 1 A 70 70 VAL N N 70 116.117 119.466 -3.349 1
1 760 . 12 1 1 A 71 71 LYS H H 71 7.665 8.266 -0.601 1
1 761 . 12 1 1 A 71 71 LYS HA H 71 3.854 4.126 -0.272 1
1 770 . 12 1 1 A 71 71 LYS C C 71 177.406 178.299 -0.893 1
1 771 . 12 1 1 A 71 71 LYS CA C 71 59.175 58.786 0.389 1
1 772 . 12 1 1 A 71 71 LYS CB C 71 32.804 31.447 1.357 1
1 776 . 12 1 1 A 71 71 LYS N N 71 116.326 119.697 -3.371 1
1 777 . 12 1 1 A 72 72 ALA H H 72 7.506 7.200 0.306 1
1 778 . 12 1 1 A 72 72 ALA HA H 72 4.391 4.161 0.230 1
1 782 . 12 1 1 A 72 72 ALA C C 72 180.756 178.040 2.716 1
1 783 . 12 1 1 A 72 72 ALA CA C 72 53.691 53.761 -0.070 1
1 784 . 12 1 1 A 72 72 ALA CB C 72 20.243 18.380 1.863 1
1 785 . 12 1 1 A 72 72 ALA N N 72 118.313 120.988 -2.675 1
1 786 . 12 1 1 A 73 73 ARG H H 73 7.603 7.530 0.073 1
1 787 . 12 1 1 A 73 73 ARG HA H 73 4.872 4.560 0.312 1
1 795 . 12 1 1 A 73 73 ARG C C 73 177.558 176.499 1.059 1
1 796 . 12 1 1 A 73 73 ARG CA C 73 51.230 54.753 -3.523 1
1 797 . 12 1 1 A 73 73 ARG CB C 73 25.568 29.956 -4.388 1
1 800 . 12 1 1 A 73 73 ARG N N 73 118.690 116.965 1.725 1
1 802 . 12 1 1 A 74 74 THR H H 74 8.261 8.006 0.255 1
1 803 . 12 1 1 A 74 74 THR HA H 74 4.552 4.565 -0.013 1
1 808 . 12 1 1 A 74 74 THR C C 74 174.706 176.048 -1.342 1
1 809 . 12 1 1 A 74 74 THR CA C 74 62.876 64.647 -1.771 1
1 810 . 12 1 1 A 74 74 THR CB C 74 68.716 68.451 0.265 1
1 812 . 12 1 1 A 74 74 THR N N 74 115.950 112.731 3.219 1
1 813 . 12 1 1 A 75 75 ASP H H 75 9.542 8.170 1.372 1
1 814 . 12 1 1 A 75 75 ASP HA H 75 4.310 4.205 0.105 1
1 817 . 12 1 1 A 75 75 ASP C C 75 175.958 177.792 -1.834 1
1 818 . 12 1 1 A 75 75 ASP CA C 75 54.476 57.556 -3.080 1
1 819 . 12 1 1 A 75 75 ASP CB C 75 38.969 41.593 -2.624 1
1 820 . 12 1 1 A 75 75 ASP N N 75 116.582 121.850 -5.268 1
1 821 . 12 1 1 A 76 76 LEU H H 76 7.078 7.219 -0.141 1
1 822 . 12 1 1 A 76 76 LEU HA H 76 4.225 4.056 0.169 1
1 832 . 12 1 1 A 76 76 LEU C C 76 177.244 176.094 1.150 1
1 833 . 12 1 1 A 76 76 LEU CA C 76 55.349 56.067 -0.718 1
1 834 . 12 1 1 A 76 76 LEU CB C 76 43.508 43.259 0.249 1
1 838 . 12 1 1 A 76 76 LEU N N 76 117.639 117.965 -0.326 1
1 839 . 12 1 1 A 77 77 PHE H H 77 7.977 7.659 0.318 1
1 840 . 12 1 1 A 77 77 PHE HA H 77 5.648 5.037 0.611 1
1 848 . 12 1 1 A 77 77 PHE C C 77 175.868 174.798 1.070 1
1 849 . 12 1 1 A 77 77 PHE CA C 77 54.878 56.780 -1.902 1
1 850 . 12 1 1 A 77 77 PHE CB C 77 42.833 40.500 2.333 1
1 856 . 12 1 1 A 77 77 PHE N N 77 115.989 115.630 0.359 1
1 857 . 12 1 1 A 78 78 VAL H H 78 8.863 9.114 -0.251 1
1 858 . 12 1 1 A 78 78 VAL HA H 78 4.425 4.503 -0.078 1
1 866 . 12 1 1 A 78 78 VAL C C 78 175.288 175.811 -0.523 1
1 867 . 12 1 1 A 78 78 VAL CA C 78 61.575 62.716 -1.141 1
1 868 . 12 1 1 A 78 78 VAL CB C 78 33.988 31.696 2.292 1
1 871 . 12 1 1 A 78 78 VAL N N 78 123.339 123.938 -0.599 1
1 872 . 12 1 1 A 79 79 THR H H 79 8.305 8.978 -0.673 1
1 873 . 12 1 1 A 79 79 THR HA H 79 5.882 5.527 0.355 1
1 878 . 12 1 1 A 79 79 THR C C 79 174.566 173.899 0.667 1
1 879 . 12 1 1 A 79 79 THR CA C 79 59.476 60.677 -1.201 1
1 880 . 12 1 1 A 79 79 THR CB C 79 73.090 70.664 2.426 1
1 882 . 12 1 1 A 79 79 THR N N 79 113.057 119.665 -6.608 1
1 883 . 12 1 1 A 80 80 GLU H H 80 8.962 8.536 0.426 1
1 884 . 12 1 1 A 80 80 GLU HA H 80 4.589 4.919 -0.330 1
1 889 . 12 1 1 A 80 80 GLU C C 80 174.040 175.530 -1.490 1
1 890 . 12 1 1 A 80 80 GLU CA C 80 55.878 55.294 0.584 1
1 891 . 12 1 1 A 80 80 GLU CB C 80 33.399 33.676 -0.277 1
1 893 . 12 1 1 A 80 80 GLU N N 80 117.934 122.797 -4.863 1
1 894 . 12 1 1 A 81 81 GLU H H 81 8.687 8.833 -0.146 1
1 895 . 12 1 1 A 81 81 GLU HA H 81 5.213 4.912 0.301 1
1 900 . 12 1 1 A 81 81 GLU C C 81 176.406 176.083 0.323 1
1 901 . 12 1 1 A 81 81 GLU CA C 81 55.186 56.058 -0.872 1
1 902 . 12 1 1 A 81 81 GLU CB C 81 31.544 30.757 0.787 1
1 904 . 12 1 1 A 81 81 GLU N N 81 122.400 123.396 -0.996 1
1 905 . 12 1 1 A 82 82 ARG H H 82 9.118 9.240 -0.122 1
1 906 . 12 1 1 A 82 82 ARG HA H 82 4.635 4.728 -0.093 1
1 914 . 12 1 1 A 82 82 ARG C C 82 175.222 174.733 0.489 1
1 915 . 12 1 1 A 82 82 ARG CA C 82 54.746 54.067 0.679 1
1 916 . 12 1 1 A 82 82 ARG CB C 82 33.719 33.468 0.251 1
1 919 . 12 1 1 A 82 82 ARG N N 82 121.851 123.587 -1.736 1
1 921 . 12 1 1 A 83 83 GLN H H 83 8.642 8.528 0.114 1
1 922 . 12 1 1 A 83 83 GLN HA H 83 4.340 4.557 -0.217 1
1 927 . 12 1 1 A 83 83 GLN C C 83 175.705 175.504 0.201 1
1 928 . 12 1 1 A 83 83 GLN CA C 83 56.094 55.682 0.412 1
1 929 . 12 1 1 A 83 83 GLN CB C 83 29.424 29.802 -0.378 1
1 931 . 12 1 1 A 83 83 GLN N N 83 121.976 123.371 -1.395 1
1 932 . 12 1 1 A 84 84 VAL H H 84 8.818 8.338 0.480 1
1 933 . 12 1 1 A 84 84 VAL HA H 84 4.399 4.475 -0.076 1
1 941 . 12 1 1 A 84 84 VAL C C 84 174.439 174.798 -0.359 1
1 942 . 12 1 1 A 84 84 VAL CA C 84 59.977 59.584 0.393 1
1 943 . 12 1 1 A 84 84 VAL CB C 84 32.948 32.095 0.853 1
1 946 . 12 1 1 A 84 84 VAL N N 84 128.548 126.224 2.324 1
1 947 . 12 1 1 A 85 85 PRO HA H 85 4.313 4.259 0.054 1
1 954 . 12 1 1 A 85 85 PRO C C 85 178.026 177.172 0.854 1
1 955 . 12 1 1 A 85 85 PRO CA C 85 64.139 64.020 0.119 1
1 956 . 12 1 1 A 85 85 PRO CB C 85 31.744 31.384 0.360 1
1 959 . 12 1 1 A 86 86 GLY H H 86 8.815 8.751 0.064 1
1 960 . 12 1 1 A 86 86 GLY HA2 H 86 3.751 3.903 -0.152 1
1 961 . 12 1 1 A 86 86 GLY HA3 H 86 4.148 3.905 0.243 1
1 962 . 12 1 1 A 86 86 GLY C C 86 173.673 173.314 0.359 1
1 963 . 12 1 1 A 86 86 GLY CA C 86 45.661 45.302 0.359 1
1 964 . 12 1 1 A 86 86 GLY N N 86 111.839 113.254 -1.415 1
1 965 . 12 1 1 A 87 87 SER H H 87 8.029 7.658 0.371 1
1 966 . 12 1 1 A 87 87 SER HA H 87 4.955 4.974 -0.019 1
1 969 . 12 1 1 A 87 87 SER C C 87 174.293 174.131 0.162 1
1 970 . 12 1 1 A 87 87 SER CA C 87 56.119 57.352 -1.233 1
1 971 . 12 1 1 A 87 87 SER CB C 87 65.288 66.521 -1.233 1
1 972 . 12 1 1 A 87 87 SER N N 87 114.255 114.507 -0.252 1
1 973 . 12 1 1 A 88 88 THR H H 88 8.366 8.390 -0.024 1
1 974 . 12 1 1 A 88 88 THR HA H 88 4.438 4.284 0.154 1
1 979 . 12 1 1 A 88 88 THR C C 88 175.360 174.351 1.009 1
1 980 . 12 1 1 A 88 88 THR CA C 88 62.103 63.766 -1.663 1
1 981 . 12 1 1 A 88 88 THR CB C 88 69.017 69.725 -0.708 1
1 983 . 12 1 1 A 88 88 THR N N 88 112.921 118.892 -5.971 1
1 984 . 12 1 1 A 89 89 GLN H H 89 8.342 7.520 0.822 1
1 985 . 12 1 1 A 89 89 GLN HA H 89 4.382 4.399 -0.017 1
1 990 . 12 1 1 A 89 89 GLN C C 89 175.462 175.549 -0.087 1
1 991 . 12 1 1 A 89 89 GLN CA C 89 55.599 55.508 0.091 1
1 992 . 12 1 1 A 89 89 GLN CB C 89 30.016 29.526 0.490 1
1 994 . 12 1 1 A 89 89 GLN N N 89 122.086 117.902 4.184 1
1 995 . 12 1 1 A 90 90 LYS H H 90 8.584 8.851 -0.267 1
1 996 . 12 1 1 A 90 90 LYS HA H 90 4.779 5.016 -0.237 1
1 1005 . 12 1 1 A 90 90 LYS C C 90 175.897 175.414 0.483 1
1 1006 . 12 1 1 A 90 90 LYS CA C 90 55.590 54.876 0.714 1
1 1007 . 12 1 1 A 90 90 LYS CB C 90 34.742 35.043 -0.301 1
1 1011 . 12 1 1 A 90 90 LYS N N 90 121.945 119.251 2.694 1
1 1012 . 12 1 1 A 91 91 ALA H H 91 8.975 9.328 -0.353 1
1 1013 . 12 1 1 A 91 91 ALA HA H 91 4.738 5.208 -0.470 1
1 1017 . 12 1 1 A 91 91 ALA C C 91 175.585 174.707 0.878 1
1 1018 . 12 1 1 A 91 91 ALA CA C 91 50.741 50.004 0.737 1
1 1019 . 12 1 1 A 91 91 ALA CB C 91 22.890 23.463 -0.573 1
1 1020 . 12 1 1 A 91 91 ALA N N 91 124.604 122.861 1.743 1
1 1021 . 12 1 1 A 92 92 LEU H H 92 8.523 8.493 0.030 1
1 1022 . 12 1 1 A 92 92 LEU HA H 92 4.707 4.891 -0.184 1
1 1032 . 12 1 1 A 92 92 LEU C C 92 174.752 174.201 0.551 1
1 1033 . 12 1 1 A 92 92 LEU CA C 92 55.285 53.591 1.694 1
1 1034 . 12 1 1 A 92 92 LEU CB C 92 43.267 44.036 -0.769 1
1 1038 . 12 1 1 A 92 92 LEU N N 92 123.888 122.022 1.866 1
1 1039 . 12 1 1 A 93 93 TYR H H 93 9.289 9.040 0.249 1
1 1040 . 12 1 1 A 93 93 TYR HA H 93 5.269 5.532 -0.263 1
1 1047 . 12 1 1 A 93 93 TYR C C 93 174.528 175.737 -1.209 1
1 1048 . 12 1 1 A 93 93 TYR CA C 93 56.505 56.492 0.013 1
1 1049 . 12 1 1 A 93 93 TYR CB C 93 41.881 41.614 0.267 1
1 1054 . 12 1 1 A 93 93 TYR N N 93 126.872 126.841 0.031 1
1 1055 . 12 1 1 A 94 94 LEU H H 94 9.551 9.221 0.330 1
1 1056 . 12 1 1 A 94 94 LEU HA H 94 5.869 5.472 0.397 1
1 1066 . 12 1 1 A 94 94 LEU C C 94 173.433 175.007 -1.574 1
1 1067 . 12 1 1 A 94 94 LEU CA C 94 54.131 53.515 0.616 1
1 1068 . 12 1 1 A 94 94 LEU CB C 94 46.320 45.639 0.681 1
1 1072 . 12 1 1 A 94 94 LEU N N 94 117.884 122.290 -4.406 1
1 1073 . 12 1 1 A 95 95 ARG H H 95 8.603 8.782 -0.179 1
1 1074 . 12 1 1 A 95 95 ARG HA H 95 4.707 4.861 -0.154 1
1 1082 . 12 1 1 A 95 95 ARG C C 95 174.605 174.490 0.115 1
1 1083 . 12 1 1 A 95 95 ARG CA C 95 53.795 53.809 -0.014 1
1 1084 . 12 1 1 A 95 95 ARG CB C 95 33.468 33.462 0.006 1
1 1087 . 12 1 1 A 95 95 ARG N N 95 116.939 120.071 -3.132 1
1 1089 . 12 1 1 A 96 96 ALA H H 96 9.072 8.568 0.504 1
1 1090 . 12 1 1 A 96 96 ALA HA H 96 4.404 4.422 -0.018 1
1 1094 . 12 1 1 A 96 96 ALA C C 96 177.811 176.960 0.851 1
1 1095 . 12 1 1 A 96 96 ALA CA C 96 52.324 52.100 0.224 1
1 1096 . 12 1 1 A 96 96 ALA CB C 96 18.248 19.181 -0.933 1
1 1097 . 12 1 1 A 96 96 ALA N N 96 124.914 124.092 0.822 1
1 1098 . 12 1 1 A 97 97 LYS H H 97 7.989 8.222 -0.233 1
1 1099 . 12 1 1 A 97 97 LYS HA H 97 3.922 4.465 -0.543 1
1 1108 . 12 1 1 A 97 97 LYS C C 97 175.978 174.913 1.065 1
1 1109 . 12 1 1 A 97 97 LYS CA C 97 56.915 56.164 0.751 1
1 1110 . 12 1 1 A 97 97 LYS CB C 97 32.864 32.819 0.045 1
1 1114 . 12 1 1 A 97 97 LYS N N 97 123.129 122.992 0.137 1
1 1115 . 12 1 1 A 98 98 LEU H H 98 8.118 8.900 -0.782 1
1 1116 . 12 1 1 A 98 98 LEU HA H 98 4.321 4.667 -0.346 1
1 1126 . 12 1 1 A 98 98 LEU C C 98 176.592 177.392 -0.800 1
1 1127 . 12 1 1 A 98 98 LEU CA C 98 54.627 53.580 1.047 1
1 1128 . 12 1 1 A 98 98 LEU CB C 98 42.566 42.704 -0.138 1
1 1132 . 12 1 1 A 98 98 LEU N N 98 123.816 128.538 -4.722 1
1 1133 . 12 1 1 A 99 99 GLU H H 99 8.376 8.808 -0.432 1
1 1134 . 12 1 1 A 99 99 GLU C C 99 175.790 177.234 -1.444 1
1 1 . 13 1 1 A 5 5 SER H H 5 8.350 8.892 -0.542 1
1 2 . 13 1 1 A 5 5 SER N N 5 116.816 123.200 -6.384 1
1 3 . 13 1 1 A 9 9 GLN H H 9 8.479 8.449 0.030 1
1 4 . 13 1 1 A 9 9 GLN N N 9 121.973 123.215 -1.242 1
1 5 . 13 1 1 A 10 10 PRO HA H 10 4.392 4.782 -0.390 1
1 8 . 13 1 1 A 10 10 PRO C C 10 176.702 176.916 -0.214 1
1 9 . 13 1 1 A 10 10 PRO CA C 10 63.029 62.359 0.670 1
1 10 . 13 1 1 A 10 10 PRO CB C 10 32.056 33.091 -1.035 1
1 11 . 13 1 1 A 11 11 ALA H H 11 8.421 8.503 -0.082 1
1 12 . 13 1 1 A 11 11 ALA HA H 11 4.254 4.152 0.102 1
1 16 . 13 1 1 A 11 11 ALA C C 11 177.592 177.263 0.329 1
1 17 . 13 1 1 A 11 11 ALA CA C 11 52.405 54.331 -1.926 1
1 18 . 13 1 1 A 11 11 ALA CB C 11 19.242 19.788 -0.546 1
1 19 . 13 1 1 A 11 11 ALA N N 11 124.566 122.012 2.554 1
1 20 . 13 1 1 A 12 12 ALA H H 12 8.297 7.585 0.712 1
1 21 . 13 1 1 A 12 12 ALA HA H 12 4.278 4.530 -0.252 1
1 25 . 13 1 1 A 12 12 ALA C C 12 177.607 176.465 1.142 1
1 26 . 13 1 1 A 12 12 ALA CA C 12 52.402 50.325 2.077 1
1 27 . 13 1 1 A 12 12 ALA CB C 12 19.397 20.513 -1.116 1
1 28 . 13 1 1 A 12 12 ALA N N 12 123.470 119.524 3.946 1
1 29 . 13 1 1 A 13 13 GLN H H 13 8.302 8.701 -0.399 1
1 30 . 13 1 1 A 13 13 GLN HA H 13 4.304 4.734 -0.430 1
1 33 . 13 1 1 A 13 13 GLN C C 13 175.344 175.103 0.241 1
1 34 . 13 1 1 A 13 13 GLN CA C 13 55.396 55.158 0.238 1
1 35 . 13 1 1 A 13 13 GLN CB C 13 29.738 30.531 -0.793 1
1 36 . 13 1 1 A 13 13 GLN N N 13 119.718 122.928 -3.210 1
1 37 . 13 1 1 A 14 14 ALA H H 14 8.405 8.727 -0.322 1
1 38 . 13 1 1 A 14 14 ALA HA H 14 4.580 4.781 -0.201 1
1 42 . 13 1 1 A 14 14 ALA C C 14 175.619 175.801 -0.182 1
1 43 . 13 1 1 A 14 14 ALA CA C 14 50.607 48.786 1.821 1
1 44 . 13 1 1 A 14 14 ALA CB C 14 18.031 20.710 -2.679 1
1 45 . 13 1 1 A 14 14 ALA N N 14 127.291 123.521 3.770 1
1 46 . 13 1 1 A 15 15 PRO HA H 15 4.399 4.732 -0.333 1
1 49 . 13 1 1 A 15 15 PRO C C 15 177.086 176.406 0.680 1
1 50 . 13 1 1 A 15 15 PRO CA C 15 63.294 62.819 0.475 1
1 51 . 13 1 1 A 15 15 PRO CB C 15 31.988 31.514 0.474 1
1 52 . 13 1 1 A 16 16 GLU H H 16 8.656 8.765 -0.109 1
1 53 . 13 1 1 A 16 16 GLU HA H 16 4.306 4.747 -0.441 1
1 56 . 13 1 1 A 16 16 GLU C C 16 176.897 176.133 0.764 1
1 57 . 13 1 1 A 16 16 GLU CA C 16 56.771 54.905 1.866 1
1 58 . 13 1 1 A 16 16 GLU CB C 16 30.209 32.576 -2.367 1
1 59 . 13 1 1 A 16 16 GLU N N 16 120.957 124.113 -3.156 1
1 60 . 13 1 1 A 17 17 THR H H 17 8.202 8.647 -0.445 1
1 61 . 13 1 1 A 17 17 THR HA H 17 4.336 4.473 -0.137 1
1 66 . 13 1 1 A 17 17 THR C C 17 174.612 173.405 1.207 1
1 67 . 13 1 1 A 17 17 THR CA C 17 61.981 63.007 -1.026 1
1 68 . 13 1 1 A 17 17 THR CB C 17 69.928 69.538 0.390 1
1 70 . 13 1 1 A 17 17 THR N N 17 115.763 116.586 -0.823 1
1 71 . 13 1 1 A 18 18 LYS H H 18 8.373 8.667 -0.294 1
1 72 . 13 1 1 A 18 18 LYS HA H 18 4.365 4.929 -0.564 1
1 81 . 13 1 1 A 18 18 LYS C C 18 176.509 175.630 0.879 1
1 82 . 13 1 1 A 18 18 LYS CA C 18 56.348 54.598 1.750 1
1 83 . 13 1 1 A 18 18 LYS CB C 18 33.051 34.864 -1.813 1
1 87 . 13 1 1 A 18 18 LYS N N 18 123.975 126.789 -2.814 1
1 88 . 13 1 1 A 19 19 GLN H H 19 8.387 8.293 0.094 1
1 89 . 13 1 1 A 19 19 GLN HA H 19 4.378 4.387 -0.009 1
1 96 . 13 1 1 A 19 19 GLN C C 19 175.630 175.998 -0.368 1
1 97 . 13 1 1 A 19 19 GLN CA C 19 55.614 55.351 0.263 1
1 98 . 13 1 1 A 19 19 GLN CB C 19 29.749 29.301 0.448 1
1 100 . 13 1 1 A 19 19 GLN N N 19 121.480 125.916 -4.436 1
1 102 . 13 1 1 A 20 20 ALA H H 20 8.505 8.493 0.012 1
1 103 . 13 1 1 A 20 20 ALA HA H 20 4.449 4.720 -0.271 1
1 107 . 13 1 1 A 20 20 ALA C C 20 177.361 177.116 0.245 1
1 108 . 13 1 1 A 20 20 ALA CA C 20 52.165 51.724 0.441 1
1 109 . 13 1 1 A 20 20 ALA CB C 20 19.253 19.824 -0.571 1
1 110 . 13 1 1 A 20 20 ALA N N 20 125.974 124.305 1.669 1
1 111 . 13 1 1 A 21 21 PHE H H 21 8.851 8.934 -0.083 1
1 112 . 13 1 1 A 21 21 PHE HA H 21 4.422 5.074 -0.652 1
1 120 . 13 1 1 A 21 21 PHE C C 21 176.063 174.466 1.597 1
1 121 . 13 1 1 A 21 21 PHE CA C 21 56.142 56.161 -0.019 1
1 122 . 13 1 1 A 21 21 PHE CB C 21 39.867 39.433 0.434 1
1 128 . 13 1 1 A 21 21 PHE N N 21 124.486 121.522 2.964 1
1 129 . 13 1 1 A 22 22 PRO HA H 22 4.856 4.939 -0.083 1
1 136 . 13 1 1 A 22 22 PRO C C 22 174.848 177.305 -2.457 1
1 137 . 13 1 1 A 22 22 PRO CA C 22 62.078 62.271 -0.193 1
1 138 . 13 1 1 A 22 22 PRO CB C 22 28.563 30.542 -1.979 1
1 141 . 13 1 1 A 23 23 ARG H H 23 8.356 8.648 -0.292 1
1 142 . 13 1 1 A 23 23 ARG HA H 23 3.650 4.076 -0.426 1
1 149 . 13 1 1 A 23 23 ARG C C 23 176.762 178.619 -1.857 1
1 150 . 13 1 1 A 23 23 ARG CA C 23 60.448 58.404 2.044 1
1 151 . 13 1 1 A 23 23 ARG CB C 23 31.422 29.663 1.759 1
1 154 . 13 1 1 A 23 23 ARG N N 23 126.815 121.556 5.259 1
1 155 . 13 1 1 A 24 24 LYS H H 24 8.555 8.006 0.549 1
1 156 . 13 1 1 A 24 24 LYS HA H 24 3.926 3.975 -0.049 1
1 165 . 13 1 1 A 24 24 LYS C C 24 179.506 179.592 -0.086 1
1 166 . 13 1 1 A 24 24 LYS CA C 24 59.888 59.348 0.540 1
1 167 . 13 1 1 A 24 24 LYS CB C 24 31.782 31.940 -0.158 1
1 171 . 13 1 1 A 24 24 LYS N N 24 116.573 119.250 -2.677 1
1 172 . 13 1 1 A 25 25 PHE H H 25 7.575 8.114 -0.539 1
1 173 . 13 1 1 A 25 25 PHE HA H 25 4.487 4.326 0.161 1
1 181 . 13 1 1 A 25 25 PHE C C 25 177.447 178.181 -0.734 1
1 182 . 13 1 1 A 25 25 PHE CA C 25 59.779 60.922 -1.143 1
1 183 . 13 1 1 A 25 25 PHE CB C 25 38.791 38.318 0.473 1
1 189 . 13 1 1 A 25 25 PHE N N 25 118.123 119.814 -1.691 1
1 190 . 13 1 1 A 26 26 VAL H H 26 8.024 8.287 -0.263 1
1 191 . 13 1 1 A 26 26 VAL HA H 26 3.608 3.678 -0.070 1
1 199 . 13 1 1 A 26 26 VAL C C 26 177.770 178.193 -0.423 1
1 200 . 13 1 1 A 26 26 VAL CA C 26 66.473 66.884 -0.411 1
1 201 . 13 1 1 A 26 26 VAL CB C 26 31.408 31.690 -0.282 1
1 204 . 13 1 1 A 26 26 VAL N N 26 117.081 119.500 -2.419 1
1 205 . 13 1 1 A 27 27 LEU H H 27 8.220 8.613 -0.393 1
1 206 . 13 1 1 A 27 27 LEU HA H 27 4.234 4.152 0.082 1
1 216 . 13 1 1 A 27 27 LEU C C 27 180.010 179.162 0.848 1
1 217 . 13 1 1 A 27 27 LEU CA C 27 57.864 57.791 0.073 1
1 218 . 13 1 1 A 27 27 LEU CB C 27 40.488 40.842 -0.354 1
1 222 . 13 1 1 A 27 27 LEU N N 27 118.748 117.667 1.081 1
1 223 . 13 1 1 A 28 28 ALA H H 28 8.014 8.104 -0.090 1
1 224 . 13 1 1 A 28 28 ALA HA H 28 4.289 4.028 0.261 1
1 228 . 13 1 1 A 28 28 ALA C C 28 179.951 179.780 0.171 1
1 229 . 13 1 1 A 28 28 ALA CA C 28 55.110 55.676 -0.566 1
1 230 . 13 1 1 A 28 28 ALA CB C 28 17.970 17.829 0.141 1
1 231 . 13 1 1 A 28 28 ALA N N 28 124.088 122.233 1.855 1
1 232 . 13 1 1 A 29 29 ALA H H 29 8.259 8.228 0.031 1
1 233 . 13 1 1 A 29 29 ALA HA H 29 3.942 4.412 -0.470 1
1 237 . 13 1 1 A 29 29 ALA C C 29 180.505 180.213 0.292 1
1 238 . 13 1 1 A 29 29 ALA CA C 29 54.976 55.324 -0.348 1
1 239 . 13 1 1 A 29 29 ALA CB C 29 17.923 18.190 -0.267 1
1 240 . 13 1 1 A 29 29 ALA N N 29 120.431 121.392 -0.961 1
1 241 . 13 1 1 A 30 30 LEU H H 30 8.098 8.450 -0.352 1
1 242 . 13 1 1 A 30 30 LEU HA H 30 4.007 4.342 -0.335 1
1 252 . 13 1 1 A 30 30 LEU C C 30 178.315 178.373 -0.058 1
1 253 . 13 1 1 A 30 30 LEU CA C 30 58.096 58.609 -0.513 1
1 254 . 13 1 1 A 30 30 LEU CB C 30 41.486 41.818 -0.332 1
1 258 . 13 1 1 A 30 30 LEU N N 30 120.849 120.852 -0.003 1
1 259 . 13 1 1 A 31 31 GLU H H 31 8.115 8.519 -0.404 1
1 260 . 13 1 1 A 31 31 GLU HA H 31 3.967 4.163 -0.196 1
1 265 . 13 1 1 A 31 31 GLU C C 31 179.473 178.063 1.410 1
1 266 . 13 1 1 A 31 31 GLU CA C 31 59.683 59.228 0.455 1
1 267 . 13 1 1 A 31 31 GLU CB C 31 29.402 29.397 0.005 1
1 269 . 13 1 1 A 31 31 GLU N N 31 120.752 117.464 3.288 1
1 270 . 13 1 1 A 32 32 GLN H H 32 7.812 7.775 0.037 1
1 271 . 13 1 1 A 32 32 GLN HA H 32 4.001 4.076 -0.075 1
1 278 . 13 1 1 A 32 32 GLN C C 32 176.519 177.108 -0.589 1
1 279 . 13 1 1 A 32 32 GLN CA C 32 57.576 57.962 -0.386 1
1 280 . 13 1 1 A 32 32 GLN CB C 32 29.108 28.591 0.517 1
1 282 . 13 1 1 A 32 32 GLN N N 32 114.711 119.304 -4.593 1
1 284 . 13 1 1 A 33 33 SER H H 33 7.460 7.600 -0.140 1
1 285 . 13 1 1 A 33 33 SER HA H 33 4.257 4.615 -0.358 1
1 288 . 13 1 1 A 33 33 SER C C 33 174.508 173.872 0.636 1
1 289 . 13 1 1 A 33 33 SER CA C 33 58.504 58.164 0.340 1
1 290 . 13 1 1 A 33 33 SER CB C 33 65.131 63.909 1.222 1
1 291 . 13 1 1 A 33 33 SER N N 33 110.604 113.586 -2.982 1
1 292 . 13 1 1 A 34 34 SER H H 34 7.429 7.642 -0.213 1
1 293 . 13 1 1 A 34 34 SER HA H 34 4.468 5.143 -0.675 1
1 296 . 13 1 1 A 34 34 SER C C 34 174.588 174.215 0.373 1
1 297 . 13 1 1 A 34 34 SER CA C 34 58.556 58.765 -0.209 1
1 298 . 13 1 1 A 34 34 SER CB C 34 65.278 64.200 1.078 1
1 299 . 13 1 1 A 34 34 SER N N 34 117.544 119.208 -1.664 1
1 300 . 13 1 1 A 35 35 ASP H H 35 8.822 9.303 -0.481 1
1 301 . 13 1 1 A 35 35 ASP HA H 35 4.778 4.861 -0.083 1
1 304 . 13 1 1 A 35 35 ASP C C 35 178.268 177.488 0.780 1
1 305 . 13 1 1 A 35 35 ASP CA C 35 52.849 53.942 -1.093 1
1 306 . 13 1 1 A 35 35 ASP CB C 35 41.314 41.963 -0.649 1
1 307 . 13 1 1 A 35 35 ASP N N 35 121.575 123.703 -2.128 1
1 308 . 13 1 1 A 36 36 ASP H H 36 8.483 8.992 -0.509 1
1 309 . 13 1 1 A 36 36 ASP HA H 36 4.414 4.280 0.134 1
1 312 . 13 1 1 A 36 36 ASP C C 36 176.670 177.318 -0.648 1
1 313 . 13 1 1 A 36 36 ASP CA C 36 56.605 57.345 -0.740 1
1 314 . 13 1 1 A 36 36 ASP CB C 36 40.286 40.401 -0.115 1
1 315 . 13 1 1 A 36 36 ASP N N 36 117.398 122.621 -5.223 1
1 316 . 13 1 1 A 37 37 ALA H H 37 8.242 7.602 0.640 1
1 317 . 13 1 1 A 37 37 ALA HA H 37 4.532 4.377 0.155 1
1 321 . 13 1 1 A 37 37 ALA C C 37 177.407 177.856 -0.449 1
1 322 . 13 1 1 A 37 37 ALA CA C 37 51.677 51.999 -0.322 1
1 323 . 13 1 1 A 37 37 ALA CB C 37 19.774 19.478 0.296 1
1 324 . 13 1 1 A 37 37 ALA N N 37 122.052 118.473 3.579 1
1 325 . 13 1 1 A 38 38 GLY H H 38 8.155 8.209 -0.054 1
1 326 . 13 1 1 A 38 38 GLY HA2 H 38 3.624 3.807 -0.183 1
1 327 . 13 1 1 A 38 38 GLY HA3 H 38 4.080 3.894 0.186 1
1 328 . 13 1 1 A 38 38 GLY C C 38 173.417 174.288 -0.871 1
1 329 . 13 1 1 A 38 38 GLY CA C 38 45.093 45.608 -0.515 1
1 330 . 13 1 1 A 38 38 GLY N N 38 107.721 107.034 0.687 1
1 331 . 13 1 1 A 39 39 TRP H H 39 8.449 7.950 0.499 1
1 332 . 13 1 1 A 39 39 TRP HA H 39 5.054 4.647 0.407 1
1 341 . 13 1 1 A 39 39 TRP C C 39 176.577 176.082 0.495 1
1 342 . 13 1 1 A 39 39 TRP CA C 39 56.596 57.864 -1.268 1
1 343 . 13 1 1 A 39 39 TRP CB C 39 32.184 30.450 1.734 1
1 349 . 13 1 1 A 39 39 TRP N N 39 119.797 121.002 -1.205 1
1 351 . 13 1 1 A 40 40 ALA H H 40 9.855 9.182 0.673 1
1 352 . 13 1 1 A 40 40 ALA HA H 40 5.099 5.296 -0.197 1
1 356 . 13 1 1 A 40 40 ALA C C 40 176.165 176.725 -0.560 1
1 357 . 13 1 1 A 40 40 ALA CA C 40 50.202 50.529 -0.327 1
1 358 . 13 1 1 A 40 40 ALA CB C 40 23.153 21.029 2.124 1
1 359 . 13 1 1 A 40 40 ALA N N 40 124.618 126.288 -1.670 1
1 360 . 13 1 1 A 41 41 ASN H H 41 8.794 8.665 0.129 1
1 361 . 13 1 1 A 41 41 ASN HA H 41 3.771 4.271 -0.500 1
1 366 . 13 1 1 A 41 41 ASN C C 41 175.824 176.468 -0.644 1
1 367 . 13 1 1 A 41 41 ASN CA C 41 52.724 53.340 -0.616 1
1 368 . 13 1 1 A 41 41 ASN CB C 41 39.927 39.755 0.172 1
1 369 . 13 1 1 A 41 41 ASN N N 41 121.050 121.911 -0.861 1
1 371 . 13 1 1 A 42 42 LEU H H 42 8.493 8.440 0.053 1
1 372 . 13 1 1 A 42 42 LEU HA H 42 3.834 4.065 -0.231 1
1 382 . 13 1 1 A 42 42 LEU C C 42 178.256 179.167 -0.911 1
1 383 . 13 1 1 A 42 42 LEU CA C 42 58.859 58.295 0.564 1
1 384 . 13 1 1 A 42 42 LEU CB C 42 42.233 41.815 0.418 1
1 388 . 13 1 1 A 42 42 LEU N N 42 126.418 129.311 -2.893 1
1 389 . 13 1 1 A 43 43 GLY H H 43 8.440 8.370 0.070 1
1 390 . 13 1 1 A 43 43 GLY HA2 H 43 3.912 3.766 0.146 1
1 391 . 13 1 1 A 43 43 GLY HA3 H 43 3.822 3.782 0.040 1
1 392 . 13 1 1 A 43 43 GLY C C 43 176.344 176.331 0.013 1
1 393 . 13 1 1 A 43 43 GLY CA C 43 47.070 47.413 -0.343 1
1 394 . 13 1 1 A 43 43 GLY N N 43 106.800 106.712 0.088 1
1 395 . 13 1 1 A 44 44 ASN H H 44 7.916 7.737 0.179 1
1 396 . 13 1 1 A 44 44 ASN HA H 44 4.472 4.496 -0.024 1
1 401 . 13 1 1 A 44 44 ASN C C 44 177.888 177.918 -0.030 1
1 402 . 13 1 1 A 44 44 ASN CA C 44 56.004 55.998 0.006 1
1 403 . 13 1 1 A 44 44 ASN CB C 44 38.316 38.523 -0.207 1
1 404 . 13 1 1 A 44 44 ASN N N 44 121.472 120.530 0.942 1
1 406 . 13 1 1 A 45 45 PHE H H 45 8.563 8.407 0.156 1
1 407 . 13 1 1 A 45 45 PHE HA H 45 4.498 4.285 0.213 1
1 415 . 13 1 1 A 45 45 PHE C C 45 176.732 177.935 -1.203 1
1 416 . 13 1 1 A 45 45 PHE CA C 45 60.350 60.589 -0.239 1
1 417 . 13 1 1 A 45 45 PHE CB C 45 38.824 39.119 -0.295 1
1 423 . 13 1 1 A 45 45 PHE N N 45 121.835 121.141 0.694 1
1 424 . 13 1 1 A 46 46 GLY H H 46 8.933 8.878 0.055 1
1 425 . 13 1 1 A 46 46 GLY HA2 H 46 3.820 3.553 0.267 1
1 426 . 13 1 1 A 46 46 GLY HA3 H 46 3.186 3.725 -0.539 1
1 427 . 13 1 1 A 46 46 GLY C C 46 176.053 175.732 0.321 1
1 428 . 13 1 1 A 46 46 GLY CA C 46 47.171 47.024 0.147 1
1 429 . 13 1 1 A 46 46 GLY N N 46 106.269 106.480 -0.211 1
1 430 . 13 1 1 A 47 47 ASN H H 47 7.812 7.993 -0.181 1
1 431 . 13 1 1 A 47 47 ASN HA H 47 4.470 4.470 0.000 1
1 436 . 13 1 1 A 47 47 ASN C C 47 178.087 177.099 0.988 1
1 437 . 13 1 1 A 47 47 ASN CA C 47 55.974 55.872 0.102 1
1 438 . 13 1 1 A 47 47 ASN CB C 47 38.149 38.928 -0.779 1
1 439 . 13 1 1 A 47 47 ASN N N 47 120.030 120.084 -0.054 1
1 441 . 13 1 1 A 48 48 TYR H H 48 8.093 8.382 -0.289 1
1 442 . 13 1 1 A 48 48 TYR HA H 48 4.007 4.221 -0.214 1
1 449 . 13 1 1 A 48 48 TYR C C 48 178.310 177.471 0.839 1
1 450 . 13 1 1 A 48 48 TYR CA C 48 62.527 61.061 1.466 1
1 451 . 13 1 1 A 48 48 TYR CB C 48 38.254 38.774 -0.520 1
1 456 . 13 1 1 A 48 48 TYR N N 48 121.030 120.118 0.912 1
1 457 . 13 1 1 A 49 49 LEU H H 49 8.480 8.344 0.136 1
1 458 . 13 1 1 A 49 49 LEU HA H 49 3.624 3.903 -0.279 1
1 468 . 13 1 1 A 49 49 LEU C C 49 177.653 178.400 -0.747 1
1 469 . 13 1 1 A 49 49 LEU CA C 49 58.321 58.011 0.310 1
1 470 . 13 1 1 A 49 49 LEU CB C 49 41.046 41.092 -0.046 1
1 474 . 13 1 1 A 49 49 LEU N N 49 121.024 121.124 -0.100 1
1 475 . 13 1 1 A 50 50 ASN H H 50 7.564 8.125 -0.561 1
1 476 . 13 1 1 A 50 50 ASN HA H 50 4.493 4.503 -0.010 1
1 481 . 13 1 1 A 50 50 ASN C C 50 176.498 177.811 -1.313 1
1 482 . 13 1 1 A 50 50 ASN CA C 50 55.479 55.989 -0.510 1
1 483 . 13 1 1 A 50 50 ASN CB C 50 39.302 39.224 0.078 1
1 484 . 13 1 1 A 50 50 ASN N N 50 114.582 116.719 -2.137 1
1 486 . 13 1 1 A 51 51 LYS H H 51 7.370 7.259 0.111 1
1 487 . 13 1 1 A 51 51 LYS HA H 51 3.990 3.993 -0.003 1
1 496 . 13 1 1 A 51 51 LYS C C 51 178.403 179.239 -0.836 1
1 497 . 13 1 1 A 51 51 LYS CA C 51 58.512 59.315 -0.803 1
1 498 . 13 1 1 A 51 51 LYS CB C 51 32.245 32.237 0.008 1
1 502 . 13 1 1 A 51 51 LYS N N 51 118.289 118.815 -0.526 1
1 503 . 13 1 1 A 52 52 LEU H H 52 7.518 7.201 0.317 1
1 504 . 13 1 1 A 52 52 LEU HA H 52 4.085 4.122 -0.037 1
1 514 . 13 1 1 A 52 52 LEU C C 52 177.924 176.576 1.348 1
1 515 . 13 1 1 A 52 52 LEU CA C 52 56.424 56.545 -0.121 1
1 516 . 13 1 1 A 52 52 LEU CB C 52 42.952 43.292 -0.340 1
1 520 . 13 1 1 A 52 52 LEU N N 52 117.841 118.471 -0.630 1
1 521 . 13 1 1 A 53 53 GLN H H 53 8.438 7.793 0.645 1
1 522 . 13 1 1 A 53 53 GLN HA H 53 4.583 4.709 -0.126 1
1 529 . 13 1 1 A 53 53 GLN C C 53 172.039 174.156 -2.117 1
1 530 . 13 1 1 A 53 53 GLN CA C 53 52.780 53.609 -0.829 1
1 531 . 13 1 1 A 53 53 GLN CB C 53 29.902 29.111 0.791 1
1 533 . 13 1 1 A 53 53 GLN N N 53 118.578 117.993 0.585 1
1 535 . 13 1 1 A 54 54 PRO HA H 54 4.718 4.483 0.235 1
1 542 . 13 1 1 A 54 54 PRO C C 54 177.295 177.293 0.002 1
1 543 . 13 1 1 A 54 54 PRO CA C 54 64.754 64.308 0.446 1
1 544 . 13 1 1 A 54 54 PRO CB C 54 31.924 31.775 0.149 1
1 547 . 13 1 1 A 55 55 ASP H H 55 8.349 8.380 -0.031 1
1 548 . 13 1 1 A 55 55 ASP HA H 55 4.596 4.662 -0.066 1
1 551 . 13 1 1 A 55 55 ASP C C 55 176.361 176.007 0.354 1
1 552 . 13 1 1 A 55 55 ASP CA C 55 53.467 54.907 -1.440 1
1 553 . 13 1 1 A 55 55 ASP CB C 55 40.050 40.754 -0.704 1
1 554 . 13 1 1 A 55 55 ASP N N 55 114.766 116.614 -1.848 1
1 555 . 13 1 1 A 56 56 PHE H H 56 8.187 7.768 0.419 1
1 556 . 13 1 1 A 56 56 PHE HA H 56 4.055 4.990 -0.935 1
1 564 . 13 1 1 A 56 56 PHE C C 56 175.257 173.744 1.513 1
1 565 . 13 1 1 A 56 56 PHE CA C 56 61.149 56.261 4.888 1
1 566 . 13 1 1 A 56 56 PHE CB C 56 38.680 39.574 -0.894 1
1 572 . 13 1 1 A 56 56 PHE N N 56 122.323 121.044 1.279 1
1 573 . 13 1 1 A 57 57 ASP H H 57 6.887 8.591 -1.704 1
1 574 . 13 1 1 A 57 57 ASP HA H 57 4.670 5.026 -0.356 1
1 577 . 13 1 1 A 57 57 ASP C C 57 176.308 176.818 -0.510 1
1 578 . 13 1 1 A 57 57 ASP CA C 57 52.895 52.843 0.052 1
1 579 . 13 1 1 A 57 57 ASP CB C 57 42.942 43.272 -0.330 1
1 580 . 13 1 1 A 57 57 ASP N N 57 127.342 128.302 -0.960 1
1 581 . 13 1 1 A 58 58 SER H H 58 9.284 8.979 0.305 1
1 582 . 13 1 1 A 58 58 SER HA H 58 3.991 4.200 -0.209 1
1 585 . 13 1 1 A 58 58 SER C C 58 176.248 176.391 -0.143 1
1 586 . 13 1 1 A 58 58 SER CA C 58 63.050 61.611 1.439 1
1 587 . 13 1 1 A 58 58 SER CB C 58 63.339 62.516 0.823 1
1 588 . 13 1 1 A 58 58 SER N N 58 123.478 121.468 2.010 1
1 589 . 13 1 1 A 59 59 ARG H H 59 8.639 7.707 0.932 1
1 590 . 13 1 1 A 59 59 ARG HA H 59 4.073 4.133 -0.060 1
1 597 . 13 1 1 A 59 59 ARG C C 59 180.693 178.924 1.769 1
1 598 . 13 1 1 A 59 59 ARG CA C 59 58.787 58.818 -0.031 1
1 599 . 13 1 1 A 59 59 ARG CB C 59 29.824 30.050 -0.226 1
1 602 . 13 1 1 A 59 59 ARG N N 59 123.207 122.153 1.054 1
1 603 . 13 1 1 A 60 60 LEU H H 60 7.460 7.596 -0.136 1
1 604 . 13 1 1 A 60 60 LEU HA H 60 3.841 3.951 -0.110 1
1 614 . 13 1 1 A 60 60 LEU C C 60 177.018 177.955 -0.937 1
1 615 . 13 1 1 A 60 60 LEU CA C 60 56.556 57.458 -0.902 1
1 616 . 13 1 1 A 60 60 LEU CB C 60 41.013 41.027 -0.014 1
1 620 . 13 1 1 A 60 60 LEU N N 60 120.191 119.368 0.823 1
1 621 . 13 1 1 A 61 61 TYR H H 61 7.200 7.750 -0.550 1
1 622 . 13 1 1 A 61 61 TYR HA H 61 4.781 4.656 0.125 1
1 629 . 13 1 1 A 61 61 TYR C C 61 175.303 175.996 -0.693 1
1 630 . 13 1 1 A 61 61 TYR CA C 61 56.371 57.949 -1.578 1
1 631 . 13 1 1 A 61 61 TYR CB C 61 38.825 38.798 0.027 1
1 636 . 13 1 1 A 61 61 TYR N N 61 114.720 116.201 -1.481 1
1 637 . 13 1 1 A 62 62 GLY H H 62 7.354 8.040 -0.686 1
1 638 . 13 1 1 A 62 62 GLY HA2 H 62 3.968 3.936 0.032 1
1 639 . 13 1 1 A 62 62 GLY HA3 H 62 3.552 3.957 -0.405 1
1 640 . 13 1 1 A 62 62 GLY C C 62 173.542 174.373 -0.831 1
1 641 . 13 1 1 A 62 62 GLY CA C 62 44.889 45.773 -0.884 1
1 642 . 13 1 1 A 62 62 GLY N N 62 104.100 108.770 -4.670 1
1 643 . 13 1 1 A 63 63 TYR H H 63 7.377 7.807 -0.430 1
1 644 . 13 1 1 A 63 63 TYR HA H 63 4.937 4.589 0.348 1
1 651 . 13 1 1 A 63 63 TYR C C 63 175.675 176.287 -0.612 1
1 652 . 13 1 1 A 63 63 TYR CA C 63 56.902 58.366 -1.464 1
1 653 . 13 1 1 A 63 63 TYR CB C 63 42.609 39.924 2.685 1
1 658 . 13 1 1 A 63 63 TYR N N 63 117.874 119.491 -1.617 1
1 659 . 13 1 1 A 64 64 LYS H H 64 9.403 8.483 0.920 1
1 660 . 13 1 1 A 64 64 LYS HA H 64 3.914 4.212 -0.298 1
1 669 . 13 1 1 A 64 64 LYS C C 64 176.334 176.645 -0.311 1
1 670 . 13 1 1 A 64 64 LYS CA C 64 59.534 58.248 1.286 1
1 671 . 13 1 1 A 64 64 LYS CB C 64 32.892 32.997 -0.105 1
1 675 . 13 1 1 A 64 64 LYS N N 64 123.946 123.338 0.608 1
1 676 . 13 1 1 A 65 65 LYS H H 65 7.635 7.571 0.064 1
1 677 . 13 1 1 A 65 65 LYS HA H 65 4.787 4.720 0.067 1
1 686 . 13 1 1 A 65 65 LYS C C 65 177.231 176.698 0.533 1
1 687 . 13 1 1 A 65 65 LYS CA C 65 54.089 54.941 -0.852 1
1 688 . 13 1 1 A 65 65 LYS CB C 65 35.722 34.436 1.286 1
1 692 . 13 1 1 A 65 65 LYS N N 65 112.461 115.093 -2.632 1
1 693 . 13 1 1 A 66 66 LEU H H 66 9.090 8.692 0.398 1
1 694 . 13 1 1 A 66 66 LEU HA H 66 4.240 4.053 0.187 1
1 704 . 13 1 1 A 66 66 LEU C C 66 178.820 178.344 0.476 1
1 705 . 13 1 1 A 66 66 LEU CA C 66 58.129 58.263 -0.134 1
1 706 . 13 1 1 A 66 66 LEU CB C 66 41.476 41.375 0.101 1
1 710 . 13 1 1 A 66 66 LEU N N 66 124.584 121.435 3.149 1
1 711 . 13 1 1 A 67 67 SER H H 67 8.867 8.371 0.496 1
1 712 . 13 1 1 A 67 67 SER HA H 67 3.697 4.189 -0.492 1
1 715 . 13 1 1 A 67 67 SER C C 67 175.588 176.352 -0.764 1
1 716 . 13 1 1 A 67 67 SER CA C 67 61.518 61.439 0.079 1
1 717 . 13 1 1 A 67 67 SER CB C 67 61.537 62.418 -0.881 1
1 718 . 13 1 1 A 67 67 SER N N 67 112.095 114.815 -2.720 1
1 719 . 13 1 1 A 68 68 ASP H H 68 6.783 8.369 -1.586 1
1 720 . 13 1 1 A 68 68 ASP HA H 68 4.356 4.466 -0.110 1
1 723 . 13 1 1 A 68 68 ASP C C 68 177.827 178.248 -0.421 1
1 724 . 13 1 1 A 68 68 ASP CA C 68 57.170 57.778 -0.608 1
1 725 . 13 1 1 A 68 68 ASP CB C 68 41.380 42.549 -1.169 1
1 726 . 13 1 1 A 68 68 ASP N N 68 119.720 121.484 -1.764 1
1 727 . 13 1 1 A 69 69 LEU H H 69 7.153 7.419 -0.266 1
1 728 . 13 1 1 A 69 69 LEU HA H 69 2.561 3.336 -0.775 1
1 738 . 13 1 1 A 69 69 LEU C C 69 177.830 178.455 -0.625 1
1 739 . 13 1 1 A 69 69 LEU CA C 69 58.843 57.552 1.291 1
1 740 . 13 1 1 A 69 69 LEU CB C 69 42.203 41.401 0.802 1
1 744 . 13 1 1 A 69 69 LEU N N 69 122.181 119.977 2.204 1
1 745 . 13 1 1 A 70 70 VAL H H 70 8.167 8.177 -0.010 1
1 746 . 13 1 1 A 70 70 VAL HA H 70 3.509 3.616 -0.107 1
1 754 . 13 1 1 A 70 70 VAL C C 70 177.695 178.107 -0.412 1
1 755 . 13 1 1 A 70 70 VAL CA C 70 65.582 67.212 -1.630 1
1 756 . 13 1 1 A 70 70 VAL CB C 70 31.409 31.521 -0.112 1
1 759 . 13 1 1 A 70 70 VAL N N 70 116.117 119.491 -3.374 1
1 760 . 13 1 1 A 71 71 LYS H H 71 7.665 8.440 -0.775 1
1 761 . 13 1 1 A 71 71 LYS HA H 71 3.854 4.148 -0.294 1
1 770 . 13 1 1 A 71 71 LYS C C 71 177.406 177.716 -0.310 1
1 771 . 13 1 1 A 71 71 LYS CA C 71 59.175 58.764 0.411 1
1 772 . 13 1 1 A 71 71 LYS CB C 71 32.804 31.776 1.028 1
1 776 . 13 1 1 A 71 71 LYS N N 71 116.326 119.660 -3.334 1
1 777 . 13 1 1 A 72 72 ALA H H 72 7.506 7.563 -0.057 1
1 778 . 13 1 1 A 72 72 ALA HA H 72 4.391 4.342 0.049 1
1 782 . 13 1 1 A 72 72 ALA C C 72 180.756 177.292 3.464 1
1 783 . 13 1 1 A 72 72 ALA CA C 72 53.691 52.609 1.082 1
1 784 . 13 1 1 A 72 72 ALA CB C 72 20.243 19.600 0.643 1
1 785 . 13 1 1 A 72 72 ALA N N 72 118.313 120.371 -2.058 1
1 786 . 13 1 1 A 73 73 ARG H H 73 7.603 7.754 -0.151 1
1 787 . 13 1 1 A 73 73 ARG HA H 73 4.872 4.544 0.328 1
1 795 . 13 1 1 A 73 73 ARG C C 73 177.558 176.012 1.546 1
1 796 . 13 1 1 A 73 73 ARG CA C 73 51.230 55.078 -3.848 1
1 797 . 13 1 1 A 73 73 ARG CB C 73 25.568 30.242 -4.674 1
1 800 . 13 1 1 A 73 73 ARG N N 73 118.690 118.120 0.570 1
1 802 . 13 1 1 A 74 74 THR H H 74 8.261 7.973 0.288 1
1 803 . 13 1 1 A 74 74 THR HA H 74 4.552 4.531 0.021 1
1 808 . 13 1 1 A 74 74 THR C C 74 174.706 175.903 -1.197 1
1 809 . 13 1 1 A 74 74 THR CA C 74 62.876 64.587 -1.711 1
1 810 . 13 1 1 A 74 74 THR CB C 74 68.716 68.501 0.215 1
1 812 . 13 1 1 A 74 74 THR N N 74 115.950 112.868 3.082 1
1 813 . 13 1 1 A 75 75 ASP H H 75 9.542 8.168 1.374 1
1 814 . 13 1 1 A 75 75 ASP HA H 75 4.310 4.385 -0.075 1
1 817 . 13 1 1 A 75 75 ASP C C 75 175.958 177.208 -1.250 1
1 818 . 13 1 1 A 75 75 ASP CA C 75 54.476 56.813 -2.337 1
1 819 . 13 1 1 A 75 75 ASP CB C 75 38.969 41.477 -2.508 1
1 820 . 13 1 1 A 75 75 ASP N N 75 116.582 121.825 -5.243 1
1 821 . 13 1 1 A 76 76 LEU H H 76 7.078 7.473 -0.395 1
1 822 . 13 1 1 A 76 76 LEU HA H 76 4.225 4.119 0.106 1
1 832 . 13 1 1 A 76 76 LEU C C 76 177.244 176.021 1.223 1
1 833 . 13 1 1 A 76 76 LEU CA C 76 55.349 55.766 -0.417 1
1 834 . 13 1 1 A 76 76 LEU CB C 76 43.508 43.444 0.064 1
1 838 . 13 1 1 A 76 76 LEU N N 76 117.639 116.872 0.767 1
1 839 . 13 1 1 A 77 77 PHE H H 77 7.977 7.792 0.185 1
1 840 . 13 1 1 A 77 77 PHE HA H 77 5.648 5.064 0.584 1
1 848 . 13 1 1 A 77 77 PHE C C 77 175.868 174.564 1.304 1
1 849 . 13 1 1 A 77 77 PHE CA C 77 54.878 56.319 -1.441 1
1 850 . 13 1 1 A 77 77 PHE CB C 77 42.833 41.906 0.927 1
1 856 . 13 1 1 A 77 77 PHE N N 77 115.989 115.440 0.549 1
1 857 . 13 1 1 A 78 78 VAL H H 78 8.863 9.126 -0.263 1
1 858 . 13 1 1 A 78 78 VAL HA H 78 4.425 4.531 -0.106 1
1 866 . 13 1 1 A 78 78 VAL C C 78 175.288 175.675 -0.387 1
1 867 . 13 1 1 A 78 78 VAL CA C 78 61.575 62.413 -0.838 1
1 868 . 13 1 1 A 78 78 VAL CB C 78 33.988 31.704 2.284 1
1 871 . 13 1 1 A 78 78 VAL N N 78 123.339 123.762 -0.423 1
1 872 . 13 1 1 A 79 79 THR H H 79 8.305 8.995 -0.690 1
1 873 . 13 1 1 A 79 79 THR HA H 79 5.882 5.548 0.334 1
1 878 . 13 1 1 A 79 79 THR C C 79 174.566 173.933 0.633 1
1 879 . 13 1 1 A 79 79 THR CA C 79 59.476 60.511 -1.035 1
1 880 . 13 1 1 A 79 79 THR CB C 79 73.090 70.787 2.303 1
1 882 . 13 1 1 A 79 79 THR N N 79 113.057 119.571 -6.514 1
1 883 . 13 1 1 A 80 80 GLU H H 80 8.962 8.665 0.297 1
1 884 . 13 1 1 A 80 80 GLU HA H 80 4.589 4.965 -0.376 1
1 889 . 13 1 1 A 80 80 GLU C C 80 174.040 175.630 -1.590 1
1 890 . 13 1 1 A 80 80 GLU CA C 80 55.878 55.141 0.737 1
1 891 . 13 1 1 A 80 80 GLU CB C 80 33.399 33.460 -0.061 1
1 893 . 13 1 1 A 80 80 GLU N N 80 117.934 122.889 -4.955 1
1 894 . 13 1 1 A 81 81 GLU H H 81 8.687 8.848 -0.161 1
1 895 . 13 1 1 A 81 81 GLU HA H 81 5.213 4.794 0.419 1
1 900 . 13 1 1 A 81 81 GLU C C 81 176.406 175.772 0.634 1
1 901 . 13 1 1 A 81 81 GLU CA C 81 55.186 56.233 -1.047 1
1 902 . 13 1 1 A 81 81 GLU CB C 81 31.544 30.636 0.908 1
1 904 . 13 1 1 A 81 81 GLU N N 81 122.400 123.722 -1.322 1
1 905 . 13 1 1 A 82 82 ARG H H 82 9.118 9.115 0.003 1
1 906 . 13 1 1 A 82 82 ARG HA H 82 4.635 4.720 -0.085 1
1 914 . 13 1 1 A 82 82 ARG C C 82 175.222 174.812 0.410 1
1 915 . 13 1 1 A 82 82 ARG CA C 82 54.746 54.397 0.349 1
1 916 . 13 1 1 A 82 82 ARG CB C 82 33.719 33.306 0.413 1
1 919 . 13 1 1 A 82 82 ARG N N 82 121.851 124.098 -2.247 1
1 921 . 13 1 1 A 83 83 GLN H H 83 8.642 8.575 0.067 1
1 922 . 13 1 1 A 83 83 GLN HA H 83 4.340 4.615 -0.275 1
1 927 . 13 1 1 A 83 83 GLN C C 83 175.705 175.479 0.226 1
1 928 . 13 1 1 A 83 83 GLN CA C 83 56.094 55.673 0.421 1
1 929 . 13 1 1 A 83 83 GLN CB C 83 29.424 29.506 -0.082 1
1 931 . 13 1 1 A 83 83 GLN N N 83 121.976 122.987 -1.011 1
1 932 . 13 1 1 A 84 84 VAL H H 84 8.818 8.050 0.768 1
1 933 . 13 1 1 A 84 84 VAL HA H 84 4.399 4.488 -0.089 1
1 941 . 13 1 1 A 84 84 VAL C C 84 174.439 174.913 -0.474 1
1 942 . 13 1 1 A 84 84 VAL CA C 84 59.977 59.468 0.509 1
1 943 . 13 1 1 A 84 84 VAL CB C 84 32.948 32.152 0.796 1
1 946 . 13 1 1 A 84 84 VAL N N 84 128.548 126.438 2.110 1
1 947 . 13 1 1 A 85 85 PRO HA H 85 4.313 4.247 0.066 1
1 954 . 13 1 1 A 85 85 PRO C C 85 178.026 177.550 0.476 1
1 955 . 13 1 1 A 85 85 PRO CA C 85 64.139 64.120 0.019 1
1 956 . 13 1 1 A 85 85 PRO CB C 85 31.744 31.569 0.175 1
1 959 . 13 1 1 A 86 86 GLY H H 86 8.815 8.833 -0.018 1
1 960 . 13 1 1 A 86 86 GLY HA2 H 86 3.751 3.898 -0.147 1
1 961 . 13 1 1 A 86 86 GLY HA3 H 86 4.148 3.900 0.248 1
1 962 . 13 1 1 A 86 86 GLY C C 86 173.673 173.916 -0.243 1
1 963 . 13 1 1 A 86 86 GLY CA C 86 45.661 45.143 0.518 1
1 964 . 13 1 1 A 86 86 GLY N N 86 111.839 113.399 -1.560 1
1 965 . 13 1 1 A 87 87 SER H H 87 8.029 7.739 0.290 1
1 966 . 13 1 1 A 87 87 SER HA H 87 4.955 4.718 0.237 1
1 969 . 13 1 1 A 87 87 SER C C 87 174.293 173.986 0.307 1
1 970 . 13 1 1 A 87 87 SER CA C 87 56.119 57.945 -1.826 1
1 971 . 13 1 1 A 87 87 SER CB C 87 65.288 65.147 0.141 1
1 972 . 13 1 1 A 87 87 SER N N 87 114.255 116.578 -2.323 1
1 973 . 13 1 1 A 88 88 THR H H 88 8.366 8.532 -0.166 1
1 974 . 13 1 1 A 88 88 THR HA H 88 4.438 4.360 0.078 1
1 979 . 13 1 1 A 88 88 THR C C 88 175.360 174.300 1.060 1
1 980 . 13 1 1 A 88 88 THR CA C 88 62.103 63.478 -1.375 1
1 981 . 13 1 1 A 88 88 THR CB C 88 69.017 69.740 -0.723 1
1 983 . 13 1 1 A 88 88 THR N N 88 112.921 118.755 -5.834 1
1 984 . 13 1 1 A 89 89 GLN H H 89 8.342 7.543 0.799 1
1 985 . 13 1 1 A 89 89 GLN HA H 89 4.382 4.761 -0.379 1
1 990 . 13 1 1 A 89 89 GLN C C 89 175.462 175.402 0.060 1
1 991 . 13 1 1 A 89 89 GLN CA C 89 55.599 54.830 0.769 1
1 992 . 13 1 1 A 89 89 GLN CB C 89 30.016 30.657 -0.641 1
1 994 . 13 1 1 A 89 89 GLN N N 89 122.086 117.607 4.479 1
1 995 . 13 1 1 A 90 90 LYS H H 90 8.584 8.761 -0.177 1
1 996 . 13 1 1 A 90 90 LYS HA H 90 4.779 5.021 -0.242 1
1 1005 . 13 1 1 A 90 90 LYS C C 90 175.897 175.073 0.824 1
1 1006 . 13 1 1 A 90 90 LYS CA C 90 55.590 55.219 0.371 1
1 1007 . 13 1 1 A 90 90 LYS CB C 90 34.742 34.838 -0.096 1
1 1011 . 13 1 1 A 90 90 LYS N N 90 121.945 119.232 2.713 1
1 1012 . 13 1 1 A 91 91 ALA H H 91 8.975 9.230 -0.255 1
1 1013 . 13 1 1 A 91 91 ALA HA H 91 4.738 5.271 -0.533 1
1 1017 . 13 1 1 A 91 91 ALA C C 91 175.585 175.557 0.028 1
1 1018 . 13 1 1 A 91 91 ALA CA C 91 50.741 50.001 0.740 1
1 1019 . 13 1 1 A 91 91 ALA CB C 91 22.890 21.768 1.122 1
1 1020 . 13 1 1 A 91 91 ALA N N 91 124.604 124.380 0.224 1
1 1021 . 13 1 1 A 92 92 LEU H H 92 8.523 8.559 -0.036 1
1 1022 . 13 1 1 A 92 92 LEU HA H 92 4.707 4.712 -0.005 1
1 1032 . 13 1 1 A 92 92 LEU C C 92 174.752 174.137 0.615 1
1 1033 . 13 1 1 A 92 92 LEU CA C 92 55.285 53.815 1.470 1
1 1034 . 13 1 1 A 92 92 LEU CB C 92 43.267 43.153 0.114 1
1 1038 . 13 1 1 A 92 92 LEU N N 92 123.888 124.833 -0.945 1
1 1039 . 13 1 1 A 93 93 TYR H H 93 9.289 8.963 0.326 1
1 1040 . 13 1 1 A 93 93 TYR HA H 93 5.269 5.154 0.115 1
1 1047 . 13 1 1 A 93 93 TYR C C 93 174.528 175.886 -1.358 1
1 1048 . 13 1 1 A 93 93 TYR CA C 93 56.505 57.097 -0.592 1
1 1049 . 13 1 1 A 93 93 TYR CB C 93 41.881 40.922 0.959 1
1 1054 . 13 1 1 A 93 93 TYR N N 93 126.872 127.643 -0.771 1
1 1055 . 13 1 1 A 94 94 LEU H H 94 9.551 9.108 0.443 1
1 1056 . 13 1 1 A 94 94 LEU HA H 94 5.869 5.481 0.388 1
1 1066 . 13 1 1 A 94 94 LEU C C 94 173.433 175.086 -1.653 1
1 1067 . 13 1 1 A 94 94 LEU CA C 94 54.131 53.469 0.662 1
1 1068 . 13 1 1 A 94 94 LEU CB C 94 46.320 45.568 0.752 1
1 1072 . 13 1 1 A 94 94 LEU N N 94 117.884 122.587 -4.703 1
1 1073 . 13 1 1 A 95 95 ARG H H 95 8.603 8.835 -0.232 1
1 1074 . 13 1 1 A 95 95 ARG HA H 95 4.707 4.887 -0.180 1
1 1082 . 13 1 1 A 95 95 ARG C C 95 174.605 174.594 0.011 1
1 1083 . 13 1 1 A 95 95 ARG CA C 95 53.795 53.925 -0.130 1
1 1084 . 13 1 1 A 95 95 ARG CB C 95 33.468 33.422 0.046 1
1 1087 . 13 1 1 A 95 95 ARG N N 95 116.939 120.791 -3.852 1
1 1089 . 13 1 1 A 96 96 ALA H H 96 9.072 8.583 0.489 1
1 1090 . 13 1 1 A 96 96 ALA HA H 96 4.404 4.420 -0.016 1
1 1094 . 13 1 1 A 96 96 ALA C C 96 177.811 176.870 0.941 1
1 1095 . 13 1 1 A 96 96 ALA CA C 96 52.324 52.365 -0.041 1
1 1096 . 13 1 1 A 96 96 ALA CB C 96 18.248 19.208 -0.960 1
1 1097 . 13 1 1 A 96 96 ALA N N 96 124.914 124.585 0.329 1
1 1098 . 13 1 1 A 97 97 LYS H H 97 7.989 8.416 -0.427 1
1 1099 . 13 1 1 A 97 97 LYS HA H 97 3.922 4.496 -0.574 1
1 1108 . 13 1 1 A 97 97 LYS C C 97 175.978 174.955 1.023 1
1 1109 . 13 1 1 A 97 97 LYS CA C 97 56.915 55.578 1.337 1
1 1110 . 13 1 1 A 97 97 LYS CB C 97 32.864 32.831 0.033 1
1 1114 . 13 1 1 A 97 97 LYS N N 97 123.129 123.440 -0.311 1
1 1115 . 13 1 1 A 98 98 LEU H H 98 8.118 9.019 -0.901 1
1 1116 . 13 1 1 A 98 98 LEU HA H 98 4.321 4.797 -0.476 1
1 1126 . 13 1 1 A 98 98 LEU C C 98 176.592 175.624 0.968 1
1 1127 . 13 1 1 A 98 98 LEU CA C 98 54.627 53.815 0.812 1
1 1128 . 13 1 1 A 98 98 LEU CB C 98 42.566 42.078 0.488 1
1 1132 . 13 1 1 A 98 98 LEU N N 98 123.816 128.970 -5.154 1
1 1133 . 13 1 1 A 99 99 GLU H H 99 8.376 8.818 -0.442 1
1 1134 . 13 1 1 A 99 99 GLU C C 99 175.790 175.663 0.127 1
1 1 . 14 1 1 A 5 5 SER H H 5 8.350 8.522 -0.172 1
1 2 . 14 1 1 A 5 5 SER N N 5 116.816 117.506 -0.690 1
1 3 . 14 1 1 A 9 9 GLN H H 9 8.479 7.529 0.950 1
1 4 . 14 1 1 A 9 9 GLN N N 9 121.973 121.736 0.237 1
1 5 . 14 1 1 A 10 10 PRO HA H 10 4.392 4.763 -0.371 1
1 8 . 14 1 1 A 10 10 PRO C C 10 176.702 176.303 0.399 1
1 9 . 14 1 1 A 10 10 PRO CA C 10 63.029 62.156 0.873 1
1 10 . 14 1 1 A 10 10 PRO CB C 10 32.056 32.916 -0.860 1
1 11 . 14 1 1 A 11 11 ALA H H 11 8.421 8.364 0.057 1
1 12 . 14 1 1 A 11 11 ALA HA H 11 4.254 4.170 0.084 1
1 16 . 14 1 1 A 11 11 ALA C C 11 177.592 177.314 0.278 1
1 17 . 14 1 1 A 11 11 ALA CA C 11 52.405 54.195 -1.790 1
1 18 . 14 1 1 A 11 11 ALA CB C 11 19.242 19.789 -0.547 1
1 19 . 14 1 1 A 11 11 ALA N N 11 124.566 121.872 2.694 1
1 20 . 14 1 1 A 12 12 ALA H H 12 8.297 7.496 0.801 1
1 21 . 14 1 1 A 12 12 ALA HA H 12 4.278 4.193 0.085 1
1 25 . 14 1 1 A 12 12 ALA C C 12 177.607 177.516 0.091 1
1 26 . 14 1 1 A 12 12 ALA CA C 12 52.402 53.115 -0.713 1
1 27 . 14 1 1 A 12 12 ALA CB C 12 19.397 19.243 0.154 1
1 28 . 14 1 1 A 12 12 ALA N N 12 123.470 121.137 2.333 1
1 29 . 14 1 1 A 13 13 GLN H H 13 8.302 8.448 -0.146 1
1 30 . 14 1 1 A 13 13 GLN HA H 13 4.304 4.621 -0.317 1
1 33 . 14 1 1 A 13 13 GLN C C 13 175.344 174.664 0.680 1
1 34 . 14 1 1 A 13 13 GLN CA C 13 55.396 55.411 -0.015 1
1 35 . 14 1 1 A 13 13 GLN CB C 13 29.738 29.179 0.559 1
1 36 . 14 1 1 A 13 13 GLN N N 13 119.718 123.071 -3.353 1
1 37 . 14 1 1 A 14 14 ALA H H 14 8.405 8.774 -0.369 1
1 38 . 14 1 1 A 14 14 ALA HA H 14 4.580 4.757 -0.177 1
1 42 . 14 1 1 A 14 14 ALA C C 14 175.619 176.239 -0.620 1
1 43 . 14 1 1 A 14 14 ALA CA C 14 50.607 48.899 1.708 1
1 44 . 14 1 1 A 14 14 ALA CB C 14 18.031 20.117 -2.086 1
1 45 . 14 1 1 A 14 14 ALA N N 14 127.291 127.767 -0.476 1
1 46 . 14 1 1 A 15 15 PRO HA H 15 4.399 4.569 -0.170 1
1 49 . 14 1 1 A 15 15 PRO C C 15 177.086 176.775 0.311 1
1 50 . 14 1 1 A 15 15 PRO CA C 15 63.294 62.745 0.549 1
1 51 . 14 1 1 A 15 15 PRO CB C 15 31.988 32.863 -0.875 1
1 52 . 14 1 1 A 16 16 GLU H H 16 8.656 8.822 -0.166 1
1 53 . 14 1 1 A 16 16 GLU HA H 16 4.306 4.073 0.233 1
1 56 . 14 1 1 A 16 16 GLU C C 16 176.897 177.225 -0.328 1
1 57 . 14 1 1 A 16 16 GLU CA C 16 56.771 58.279 -1.508 1
1 58 . 14 1 1 A 16 16 GLU CB C 16 30.209 29.407 0.802 1
1 59 . 14 1 1 A 16 16 GLU N N 16 120.957 120.437 0.520 1
1 60 . 14 1 1 A 17 17 THR H H 17 8.202 7.451 0.751 1
1 61 . 14 1 1 A 17 17 THR HA H 17 4.336 4.087 0.249 1
1 66 . 14 1 1 A 17 17 THR C C 17 174.612 173.885 0.727 1
1 67 . 14 1 1 A 17 17 THR CA C 17 61.981 64.429 -2.448 1
1 68 . 14 1 1 A 17 17 THR CB C 17 69.928 69.268 0.660 1
1 70 . 14 1 1 A 17 17 THR N N 17 115.763 117.222 -1.459 1
1 71 . 14 1 1 A 18 18 LYS H H 18 8.373 8.630 -0.257 1
1 72 . 14 1 1 A 18 18 LYS HA H 18 4.365 5.013 -0.648 1
1 81 . 14 1 1 A 18 18 LYS C C 18 176.509 175.063 1.446 1
1 82 . 14 1 1 A 18 18 LYS CA C 18 56.348 54.413 1.935 1
1 83 . 14 1 1 A 18 18 LYS CB C 18 33.051 36.259 -3.208 1
1 87 . 14 1 1 A 18 18 LYS N N 18 123.975 127.666 -3.691 1
1 88 . 14 1 1 A 19 19 GLN H H 19 8.387 8.642 -0.255 1
1 89 . 14 1 1 A 19 19 GLN HA H 19 4.378 4.572 -0.194 1
1 96 . 14 1 1 A 19 19 GLN C C 19 175.630 175.098 0.532 1
1 97 . 14 1 1 A 19 19 GLN CA C 19 55.614 54.309 1.305 1
1 98 . 14 1 1 A 19 19 GLN CB C 19 29.749 30.227 -0.478 1
1 100 . 14 1 1 A 19 19 GLN N N 19 121.480 125.478 -3.998 1
1 102 . 14 1 1 A 20 20 ALA H H 20 8.505 8.804 -0.299 1
1 103 . 14 1 1 A 20 20 ALA HA H 20 4.449 5.071 -0.622 1
1 107 . 14 1 1 A 20 20 ALA C C 20 177.361 176.567 0.794 1
1 108 . 14 1 1 A 20 20 ALA CA C 20 52.165 50.908 1.257 1
1 109 . 14 1 1 A 20 20 ALA CB C 20 19.253 21.110 -1.857 1
1 110 . 14 1 1 A 20 20 ALA N N 20 125.974 124.625 1.349 1
1 111 . 14 1 1 A 21 21 PHE H H 21 8.851 8.910 -0.059 1
1 112 . 14 1 1 A 21 21 PHE HA H 21 4.422 5.245 -0.823 1
1 120 . 14 1 1 A 21 21 PHE C C 21 176.063 174.488 1.575 1
1 121 . 14 1 1 A 21 21 PHE CA C 21 56.142 55.868 0.274 1
1 122 . 14 1 1 A 21 21 PHE CB C 21 39.867 40.256 -0.389 1
1 128 . 14 1 1 A 21 21 PHE N N 21 124.486 118.808 5.678 1
1 129 . 14 1 1 A 22 22 PRO HA H 22 4.856 4.987 -0.131 1
1 136 . 14 1 1 A 22 22 PRO C C 22 174.848 177.287 -2.439 1
1 137 . 14 1 1 A 22 22 PRO CA C 22 62.078 62.360 -0.282 1
1 138 . 14 1 1 A 22 22 PRO CB C 22 28.563 30.467 -1.904 1
1 141 . 14 1 1 A 23 23 ARG H H 23 8.356 8.617 -0.261 1
1 142 . 14 1 1 A 23 23 ARG HA H 23 3.650 4.167 -0.517 1
1 149 . 14 1 1 A 23 23 ARG C C 23 176.762 178.630 -1.868 1
1 150 . 14 1 1 A 23 23 ARG CA C 23 60.448 58.365 2.083 1
1 151 . 14 1 1 A 23 23 ARG CB C 23 31.422 29.939 1.483 1
1 154 . 14 1 1 A 23 23 ARG N N 23 126.815 121.556 5.259 1
1 155 . 14 1 1 A 24 24 LYS H H 24 8.555 7.968 0.587 1
1 156 . 14 1 1 A 24 24 LYS HA H 24 3.926 3.993 -0.067 1
1 165 . 14 1 1 A 24 24 LYS C C 24 179.506 179.426 0.080 1
1 166 . 14 1 1 A 24 24 LYS CA C 24 59.888 59.430 0.458 1
1 167 . 14 1 1 A 24 24 LYS CB C 24 31.782 32.079 -0.297 1
1 171 . 14 1 1 A 24 24 LYS N N 24 116.573 119.382 -2.809 1
1 172 . 14 1 1 A 25 25 PHE H H 25 7.575 8.262 -0.687 1
1 173 . 14 1 1 A 25 25 PHE HA H 25 4.487 4.357 0.130 1
1 181 . 14 1 1 A 25 25 PHE C C 25 177.447 178.213 -0.766 1
1 182 . 14 1 1 A 25 25 PHE CA C 25 59.779 60.469 -0.690 1
1 183 . 14 1 1 A 25 25 PHE CB C 25 38.791 38.222 0.569 1
1 189 . 14 1 1 A 25 25 PHE N N 25 118.123 119.323 -1.200 1
1 190 . 14 1 1 A 26 26 VAL H H 26 8.024 8.131 -0.107 1
1 191 . 14 1 1 A 26 26 VAL HA H 26 3.608 3.621 -0.013 1
1 199 . 14 1 1 A 26 26 VAL C C 26 177.770 178.157 -0.387 1
1 200 . 14 1 1 A 26 26 VAL CA C 26 66.473 66.859 -0.386 1
1 201 . 14 1 1 A 26 26 VAL CB C 26 31.408 31.495 -0.087 1
1 204 . 14 1 1 A 26 26 VAL N N 26 117.081 119.312 -2.231 1
1 205 . 14 1 1 A 27 27 LEU H H 27 8.220 8.710 -0.490 1
1 206 . 14 1 1 A 27 27 LEU HA H 27 4.234 4.238 -0.004 1
1 216 . 14 1 1 A 27 27 LEU C C 27 180.010 179.610 0.400 1
1 217 . 14 1 1 A 27 27 LEU CA C 27 57.864 57.671 0.193 1
1 218 . 14 1 1 A 27 27 LEU CB C 27 40.488 40.576 -0.088 1
1 222 . 14 1 1 A 27 27 LEU N N 27 118.748 117.918 0.830 1
1 223 . 14 1 1 A 28 28 ALA H H 28 8.014 8.279 -0.265 1
1 224 . 14 1 1 A 28 28 ALA HA H 28 4.289 4.086 0.203 1
1 228 . 14 1 1 A 28 28 ALA C C 28 179.951 179.542 0.409 1
1 229 . 14 1 1 A 28 28 ALA CA C 28 55.110 55.469 -0.359 1
1 230 . 14 1 1 A 28 28 ALA CB C 28 17.970 17.843 0.127 1
1 231 . 14 1 1 A 28 28 ALA N N 28 124.088 122.398 1.690 1
1 232 . 14 1 1 A 29 29 ALA H H 29 8.259 8.305 -0.046 1
1 233 . 14 1 1 A 29 29 ALA HA H 29 3.942 4.498 -0.556 1
1 237 . 14 1 1 A 29 29 ALA C C 29 180.505 179.921 0.584 1
1 238 . 14 1 1 A 29 29 ALA CA C 29 54.976 55.322 -0.346 1
1 239 . 14 1 1 A 29 29 ALA CB C 29 17.923 18.305 -0.382 1
1 240 . 14 1 1 A 29 29 ALA N N 29 120.431 121.217 -0.786 1
1 241 . 14 1 1 A 30 30 LEU H H 30 8.098 8.347 -0.249 1
1 242 . 14 1 1 A 30 30 LEU HA H 30 4.007 4.380 -0.373 1
1 252 . 14 1 1 A 30 30 LEU C C 30 178.315 178.346 -0.031 1
1 253 . 14 1 1 A 30 30 LEU CA C 30 58.096 58.171 -0.075 1
1 254 . 14 1 1 A 30 30 LEU CB C 30 41.486 41.978 -0.492 1
1 258 . 14 1 1 A 30 30 LEU N N 30 120.849 120.741 0.108 1
1 259 . 14 1 1 A 31 31 GLU H H 31 8.115 8.684 -0.569 1
1 260 . 14 1 1 A 31 31 GLU HA H 31 3.967 4.025 -0.058 1
1 265 . 14 1 1 A 31 31 GLU C C 31 179.473 177.975 1.498 1
1 266 . 14 1 1 A 31 31 GLU CA C 31 59.683 59.208 0.475 1
1 267 . 14 1 1 A 31 31 GLU CB C 31 29.402 29.333 0.069 1
1 269 . 14 1 1 A 31 31 GLU N N 31 120.752 117.474 3.278 1
1 270 . 14 1 1 A 32 32 GLN H H 32 7.812 7.850 -0.038 1
1 271 . 14 1 1 A 32 32 GLN HA H 32 4.001 4.082 -0.081 1
1 278 . 14 1 1 A 32 32 GLN C C 32 176.519 176.702 -0.183 1
1 279 . 14 1 1 A 32 32 GLN CA C 32 57.576 58.019 -0.443 1
1 280 . 14 1 1 A 32 32 GLN CB C 32 29.108 28.595 0.513 1
1 282 . 14 1 1 A 32 32 GLN N N 32 114.711 119.415 -4.704 1
1 284 . 14 1 1 A 33 33 SER H H 33 7.460 7.418 0.042 1
1 285 . 14 1 1 A 33 33 SER HA H 33 4.257 4.447 -0.190 1
1 288 . 14 1 1 A 33 33 SER C C 33 174.508 174.349 0.159 1
1 289 . 14 1 1 A 33 33 SER CA C 33 58.504 58.236 0.268 1
1 290 . 14 1 1 A 33 33 SER CB C 33 65.131 64.099 1.032 1
1 291 . 14 1 1 A 33 33 SER N N 33 110.604 113.446 -2.842 1
1 292 . 14 1 1 A 34 34 SER H H 34 7.429 7.436 -0.007 1
1 293 . 14 1 1 A 34 34 SER HA H 34 4.468 4.394 0.074 1
1 296 . 14 1 1 A 34 34 SER C C 34 174.588 174.056 0.532 1
1 297 . 14 1 1 A 34 34 SER CA C 34 58.556 59.669 -1.113 1
1 298 . 14 1 1 A 34 34 SER CB C 34 65.278 63.736 1.542 1
1 299 . 14 1 1 A 34 34 SER N N 34 117.544 118.656 -1.112 1
1 300 . 14 1 1 A 35 35 ASP H H 35 8.822 9.066 -0.244 1
1 301 . 14 1 1 A 35 35 ASP HA H 35 4.778 4.950 -0.172 1
1 304 . 14 1 1 A 35 35 ASP C C 35 178.268 177.545 0.723 1
1 305 . 14 1 1 A 35 35 ASP CA C 35 52.849 53.429 -0.580 1
1 306 . 14 1 1 A 35 35 ASP CB C 35 41.314 42.214 -0.900 1
1 307 . 14 1 1 A 35 35 ASP N N 35 121.575 124.400 -2.825 1
1 308 . 14 1 1 A 36 36 ASP H H 36 8.483 8.880 -0.397 1
1 309 . 14 1 1 A 36 36 ASP HA H 36 4.414 4.265 0.149 1
1 312 . 14 1 1 A 36 36 ASP C C 36 176.670 177.843 -1.173 1
1 313 . 14 1 1 A 36 36 ASP CA C 36 56.605 58.139 -1.534 1
1 314 . 14 1 1 A 36 36 ASP CB C 36 40.286 40.913 -0.627 1
1 315 . 14 1 1 A 36 36 ASP N N 36 117.398 122.310 -4.912 1
1 316 . 14 1 1 A 37 37 ALA H H 37 8.242 7.512 0.730 1
1 317 . 14 1 1 A 37 37 ALA HA H 37 4.532 4.399 0.133 1
1 321 . 14 1 1 A 37 37 ALA C C 37 177.407 177.758 -0.351 1
1 322 . 14 1 1 A 37 37 ALA CA C 37 51.677 52.142 -0.465 1
1 323 . 14 1 1 A 37 37 ALA CB C 37 19.774 19.458 0.316 1
1 324 . 14 1 1 A 37 37 ALA N N 37 122.052 118.354 3.698 1
1 325 . 14 1 1 A 38 38 GLY H H 38 8.155 8.620 -0.465 1
1 326 . 14 1 1 A 38 38 GLY HA2 H 38 3.624 3.738 -0.114 1
1 327 . 14 1 1 A 38 38 GLY HA3 H 38 4.080 3.817 0.263 1
1 328 . 14 1 1 A 38 38 GLY C C 38 173.417 173.811 -0.394 1
1 329 . 14 1 1 A 38 38 GLY CA C 38 45.093 45.832 -0.739 1
1 330 . 14 1 1 A 38 38 GLY N N 38 107.721 106.474 1.247 1
1 331 . 14 1 1 A 39 39 TRP H H 39 8.449 7.897 0.552 1
1 332 . 14 1 1 A 39 39 TRP HA H 39 5.054 5.178 -0.124 1
1 341 . 14 1 1 A 39 39 TRP C C 39 176.577 175.301 1.276 1
1 342 . 14 1 1 A 39 39 TRP CA C 39 56.596 56.416 0.180 1
1 343 . 14 1 1 A 39 39 TRP CB C 39 32.184 32.962 -0.778 1
1 349 . 14 1 1 A 39 39 TRP N N 39 119.797 119.605 0.192 1
1 351 . 14 1 1 A 40 40 ALA H H 40 9.855 9.143 0.712 1
1 352 . 14 1 1 A 40 40 ALA HA H 40 5.099 5.217 -0.118 1
1 356 . 14 1 1 A 40 40 ALA C C 40 176.165 176.495 -0.330 1
1 357 . 14 1 1 A 40 40 ALA CA C 40 50.202 50.411 -0.209 1
1 358 . 14 1 1 A 40 40 ALA CB C 40 23.153 21.126 2.027 1
1 359 . 14 1 1 A 40 40 ALA N N 40 124.618 126.266 -1.648 1
1 360 . 14 1 1 A 41 41 ASN H H 41 8.794 8.558 0.236 1
1 361 . 14 1 1 A 41 41 ASN HA H 41 3.771 4.291 -0.520 1
1 366 . 14 1 1 A 41 41 ASN C C 41 175.824 176.435 -0.611 1
1 367 . 14 1 1 A 41 41 ASN CA C 41 52.724 53.261 -0.537 1
1 368 . 14 1 1 A 41 41 ASN CB C 41 39.927 39.685 0.242 1
1 369 . 14 1 1 A 41 41 ASN N N 41 121.050 121.408 -0.358 1
1 371 . 14 1 1 A 42 42 LEU H H 42 8.493 8.730 -0.237 1
1 372 . 14 1 1 A 42 42 LEU HA H 42 3.834 4.076 -0.242 1
1 382 . 14 1 1 A 42 42 LEU C C 42 178.256 178.896 -0.640 1
1 383 . 14 1 1 A 42 42 LEU CA C 42 58.859 58.371 0.488 1
1 384 . 14 1 1 A 42 42 LEU CB C 42 42.233 41.965 0.268 1
1 388 . 14 1 1 A 42 42 LEU N N 42 126.418 129.318 -2.900 1
1 389 . 14 1 1 A 43 43 GLY H H 43 8.440 8.232 0.208 1
1 390 . 14 1 1 A 43 43 GLY HA2 H 43 3.912 3.776 0.136 1
1 391 . 14 1 1 A 43 43 GLY HA3 H 43 3.822 3.794 0.028 1
1 392 . 14 1 1 A 43 43 GLY C C 43 176.344 176.022 0.322 1
1 393 . 14 1 1 A 43 43 GLY CA C 43 47.070 47.418 -0.348 1
1 394 . 14 1 1 A 43 43 GLY N N 43 106.800 106.755 0.045 1
1 395 . 14 1 1 A 44 44 ASN H H 44 7.916 7.621 0.295 1
1 396 . 14 1 1 A 44 44 ASN HA H 44 4.472 4.482 -0.010 1
1 401 . 14 1 1 A 44 44 ASN C C 44 177.888 177.749 0.139 1
1 402 . 14 1 1 A 44 44 ASN CA C 44 56.004 55.973 0.031 1
1 403 . 14 1 1 A 44 44 ASN CB C 44 38.316 37.690 0.626 1
1 404 . 14 1 1 A 44 44 ASN N N 44 121.472 119.954 1.518 1
1 406 . 14 1 1 A 45 45 PHE H H 45 8.563 8.406 0.157 1
1 407 . 14 1 1 A 45 45 PHE HA H 45 4.498 4.242 0.256 1
1 415 . 14 1 1 A 45 45 PHE C C 45 176.732 177.951 -1.219 1
1 416 . 14 1 1 A 45 45 PHE CA C 45 60.350 60.633 -0.283 1
1 417 . 14 1 1 A 45 45 PHE CB C 45 38.824 39.316 -0.492 1
1 423 . 14 1 1 A 45 45 PHE N N 45 121.835 122.019 -0.184 1
1 424 . 14 1 1 A 46 46 GLY H H 46 8.933 8.939 -0.006 1
1 425 . 14 1 1 A 46 46 GLY HA2 H 46 3.820 3.427 0.393 1
1 426 . 14 1 1 A 46 46 GLY HA3 H 46 3.186 3.651 -0.465 1
1 427 . 14 1 1 A 46 46 GLY C C 46 176.053 175.631 0.422 1
1 428 . 14 1 1 A 46 46 GLY CA C 46 47.171 46.884 0.287 1
1 429 . 14 1 1 A 46 46 GLY N N 46 106.269 106.652 -0.383 1
1 430 . 14 1 1 A 47 47 ASN H H 47 7.812 8.076 -0.264 1
1 431 . 14 1 1 A 47 47 ASN HA H 47 4.470 4.439 0.031 1
1 436 . 14 1 1 A 47 47 ASN C C 47 178.087 177.171 0.916 1
1 437 . 14 1 1 A 47 47 ASN CA C 47 55.974 56.161 -0.187 1
1 438 . 14 1 1 A 47 47 ASN CB C 47 38.149 38.815 -0.666 1
1 439 . 14 1 1 A 47 47 ASN N N 47 120.030 119.860 0.170 1
1 441 . 14 1 1 A 48 48 TYR H H 48 8.093 8.256 -0.163 1
1 442 . 14 1 1 A 48 48 TYR HA H 48 4.007 4.096 -0.089 1
1 449 . 14 1 1 A 48 48 TYR C C 48 178.310 177.593 0.717 1
1 450 . 14 1 1 A 48 48 TYR CA C 48 62.527 60.954 1.573 1
1 451 . 14 1 1 A 48 48 TYR CB C 48 38.254 38.753 -0.499 1
1 456 . 14 1 1 A 48 48 TYR N N 48 121.030 120.014 1.016 1
1 457 . 14 1 1 A 49 49 LEU H H 49 8.480 8.301 0.179 1
1 458 . 14 1 1 A 49 49 LEU HA H 49 3.624 3.849 -0.225 1
1 468 . 14 1 1 A 49 49 LEU C C 49 177.653 178.328 -0.675 1
1 469 . 14 1 1 A 49 49 LEU CA C 49 58.321 57.899 0.422 1
1 470 . 14 1 1 A 49 49 LEU CB C 49 41.046 41.025 0.021 1
1 474 . 14 1 1 A 49 49 LEU N N 49 121.024 121.113 -0.089 1
1 475 . 14 1 1 A 50 50 ASN H H 50 7.564 8.000 -0.436 1
1 476 . 14 1 1 A 50 50 ASN HA H 50 4.493 4.525 -0.032 1
1 481 . 14 1 1 A 50 50 ASN C C 50 176.498 177.819 -1.321 1
1 482 . 14 1 1 A 50 50 ASN CA C 50 55.479 56.002 -0.523 1
1 483 . 14 1 1 A 50 50 ASN CB C 50 39.302 38.897 0.405 1
1 484 . 14 1 1 A 50 50 ASN N N 50 114.582 117.102 -2.520 1
1 486 . 14 1 1 A 51 51 LYS H H 51 7.370 7.498 -0.128 1
1 487 . 14 1 1 A 51 51 LYS HA H 51 3.990 3.988 0.002 1
1 496 . 14 1 1 A 51 51 LYS C C 51 178.403 179.263 -0.860 1
1 497 . 14 1 1 A 51 51 LYS CA C 51 58.512 59.428 -0.916 1
1 498 . 14 1 1 A 51 51 LYS CB C 51 32.245 32.126 0.119 1
1 502 . 14 1 1 A 51 51 LYS N N 51 118.289 118.981 -0.692 1
1 503 . 14 1 1 A 52 52 LEU H H 52 7.518 7.144 0.374 1
1 504 . 14 1 1 A 52 52 LEU HA H 52 4.085 4.121 -0.036 1
1 514 . 14 1 1 A 52 52 LEU C C 52 177.924 176.565 1.359 1
1 515 . 14 1 1 A 52 52 LEU CA C 52 56.424 56.545 -0.121 1
1 516 . 14 1 1 A 52 52 LEU CB C 52 42.952 43.350 -0.398 1
1 520 . 14 1 1 A 52 52 LEU N N 52 117.841 118.610 -0.769 1
1 521 . 14 1 1 A 53 53 GLN H H 53 8.438 8.091 0.347 1
1 522 . 14 1 1 A 53 53 GLN HA H 53 4.583 4.691 -0.108 1
1 529 . 14 1 1 A 53 53 GLN C C 53 172.039 174.125 -2.086 1
1 530 . 14 1 1 A 53 53 GLN CA C 53 52.780 53.641 -0.861 1
1 531 . 14 1 1 A 53 53 GLN CB C 53 29.902 29.176 0.726 1
1 533 . 14 1 1 A 53 53 GLN N N 53 118.578 117.956 0.622 1
1 535 . 14 1 1 A 54 54 PRO HA H 54 4.718 4.478 0.240 1
1 542 . 14 1 1 A 54 54 PRO C C 54 177.295 177.171 0.124 1
1 543 . 14 1 1 A 54 54 PRO CA C 54 64.754 64.389 0.365 1
1 544 . 14 1 1 A 54 54 PRO CB C 54 31.924 31.849 0.075 1
1 547 . 14 1 1 A 55 55 ASP H H 55 8.349 8.390 -0.041 1
1 548 . 14 1 1 A 55 55 ASP HA H 55 4.596 4.800 -0.204 1
1 551 . 14 1 1 A 55 55 ASP C C 55 176.361 176.006 0.355 1
1 552 . 14 1 1 A 55 55 ASP CA C 55 53.467 54.390 -0.923 1
1 553 . 14 1 1 A 55 55 ASP CB C 55 40.050 40.891 -0.841 1
1 554 . 14 1 1 A 55 55 ASP N N 55 114.766 116.509 -1.743 1
1 555 . 14 1 1 A 56 56 PHE H H 56 8.187 7.652 0.535 1
1 556 . 14 1 1 A 56 56 PHE HA H 56 4.055 4.996 -0.941 1
1 564 . 14 1 1 A 56 56 PHE C C 56 175.257 173.831 1.426 1
1 565 . 14 1 1 A 56 56 PHE CA C 56 61.149 56.297 4.852 1
1 566 . 14 1 1 A 56 56 PHE CB C 56 38.680 39.433 -0.753 1
1 572 . 14 1 1 A 56 56 PHE N N 56 122.323 121.294 1.029 1
1 573 . 14 1 1 A 57 57 ASP H H 57 6.887 8.593 -1.706 1
1 574 . 14 1 1 A 57 57 ASP HA H 57 4.670 5.043 -0.373 1
1 577 . 14 1 1 A 57 57 ASP C C 57 176.308 176.866 -0.558 1
1 578 . 14 1 1 A 57 57 ASP CA C 57 52.895 52.855 0.040 1
1 579 . 14 1 1 A 57 57 ASP CB C 57 42.942 43.278 -0.336 1
1 580 . 14 1 1 A 57 57 ASP N N 57 127.342 128.313 -0.971 1
1 581 . 14 1 1 A 58 58 SER H H 58 9.284 8.983 0.301 1
1 582 . 14 1 1 A 58 58 SER HA H 58 3.991 4.137 -0.146 1
1 585 . 14 1 1 A 58 58 SER C C 58 176.248 176.527 -0.279 1
1 586 . 14 1 1 A 58 58 SER CA C 58 63.050 61.687 1.363 1
1 587 . 14 1 1 A 58 58 SER CB C 58 63.339 62.503 0.836 1
1 588 . 14 1 1 A 58 58 SER N N 58 123.478 121.718 1.760 1
1 589 . 14 1 1 A 59 59 ARG H H 59 8.639 7.795 0.844 1
1 590 . 14 1 1 A 59 59 ARG HA H 59 4.073 4.184 -0.111 1
1 597 . 14 1 1 A 59 59 ARG C C 59 180.693 179.054 1.639 1
1 598 . 14 1 1 A 59 59 ARG CA C 59 58.787 59.051 -0.264 1
1 599 . 14 1 1 A 59 59 ARG CB C 59 29.824 30.017 -0.193 1
1 602 . 14 1 1 A 59 59 ARG N N 59 123.207 122.672 0.535 1
1 603 . 14 1 1 A 60 60 LEU H H 60 7.460 7.766 -0.306 1
1 604 . 14 1 1 A 60 60 LEU HA H 60 3.841 3.934 -0.093 1
1 614 . 14 1 1 A 60 60 LEU C C 60 177.018 177.596 -0.578 1
1 615 . 14 1 1 A 60 60 LEU CA C 60 56.556 57.500 -0.944 1
1 616 . 14 1 1 A 60 60 LEU CB C 60 41.013 40.976 0.037 1
1 620 . 14 1 1 A 60 60 LEU N N 60 120.191 118.864 1.327 1
1 621 . 14 1 1 A 61 61 TYR H H 61 7.200 7.700 -0.500 1
1 622 . 14 1 1 A 61 61 TYR HA H 61 4.781 4.605 0.176 1
1 629 . 14 1 1 A 61 61 TYR C C 61 175.303 176.126 -0.823 1
1 630 . 14 1 1 A 61 61 TYR CA C 61 56.371 57.761 -1.390 1
1 631 . 14 1 1 A 61 61 TYR CB C 61 38.825 38.757 0.068 1
1 636 . 14 1 1 A 61 61 TYR N N 61 114.720 116.352 -1.632 1
1 637 . 14 1 1 A 62 62 GLY H H 62 7.354 8.015 -0.661 1
1 638 . 14 1 1 A 62 62 GLY HA2 H 62 3.968 3.896 0.072 1
1 639 . 14 1 1 A 62 62 GLY HA3 H 62 3.552 3.925 -0.373 1
1 640 . 14 1 1 A 62 62 GLY C C 62 173.542 173.949 -0.407 1
1 641 . 14 1 1 A 62 62 GLY CA C 62 44.889 46.144 -1.255 1
1 642 . 14 1 1 A 62 62 GLY N N 62 104.100 109.366 -5.266 1
1 643 . 14 1 1 A 63 63 TYR H H 63 7.377 7.763 -0.386 1
1 644 . 14 1 1 A 63 63 TYR HA H 63 4.937 4.765 0.172 1
1 651 . 14 1 1 A 63 63 TYR C C 63 175.675 176.235 -0.560 1
1 652 . 14 1 1 A 63 63 TYR CA C 63 56.902 57.870 -0.968 1
1 653 . 14 1 1 A 63 63 TYR CB C 63 42.609 41.054 1.555 1
1 658 . 14 1 1 A 63 63 TYR N N 63 117.874 119.167 -1.293 1
1 659 . 14 1 1 A 64 64 LYS H H 64 9.403 8.750 0.653 1
1 660 . 14 1 1 A 64 64 LYS HA H 64 3.914 4.286 -0.372 1
1 669 . 14 1 1 A 64 64 LYS C C 64 176.334 176.683 -0.349 1
1 670 . 14 1 1 A 64 64 LYS CA C 64 59.534 58.116 1.418 1
1 671 . 14 1 1 A 64 64 LYS CB C 64 32.892 33.073 -0.181 1
1 675 . 14 1 1 A 64 64 LYS N N 64 123.946 122.147 1.799 1
1 676 . 14 1 1 A 65 65 LYS H H 65 7.635 7.626 0.009 1
1 677 . 14 1 1 A 65 65 LYS HA H 65 4.787 4.673 0.114 1
1 686 . 14 1 1 A 65 65 LYS C C 65 177.231 176.550 0.681 1
1 687 . 14 1 1 A 65 65 LYS CA C 65 54.089 55.022 -0.933 1
1 688 . 14 1 1 A 65 65 LYS CB C 65 35.722 33.994 1.728 1
1 692 . 14 1 1 A 65 65 LYS N N 65 112.461 114.499 -2.038 1
1 693 . 14 1 1 A 66 66 LEU H H 66 9.090 8.709 0.381 1
1 694 . 14 1 1 A 66 66 LEU HA H 66 4.240 3.999 0.241 1
1 704 . 14 1 1 A 66 66 LEU C C 66 178.820 178.139 0.681 1
1 705 . 14 1 1 A 66 66 LEU CA C 66 58.129 58.702 -0.573 1
1 706 . 14 1 1 A 66 66 LEU CB C 66 41.476 41.681 -0.205 1
1 710 . 14 1 1 A 66 66 LEU N N 66 124.584 121.562 3.022 1
1 711 . 14 1 1 A 67 67 SER H H 67 8.867 8.356 0.511 1
1 712 . 14 1 1 A 67 67 SER HA H 67 3.697 4.178 -0.481 1
1 715 . 14 1 1 A 67 67 SER C C 67 175.588 175.925 -0.337 1
1 716 . 14 1 1 A 67 67 SER CA C 67 61.518 61.465 0.053 1
1 717 . 14 1 1 A 67 67 SER CB C 67 61.537 62.393 -0.856 1
1 718 . 14 1 1 A 67 67 SER N N 67 112.095 113.799 -1.704 1
1 719 . 14 1 1 A 68 68 ASP H H 68 6.783 8.354 -1.571 1
1 720 . 14 1 1 A 68 68 ASP HA H 68 4.356 4.452 -0.096 1
1 723 . 14 1 1 A 68 68 ASP C C 68 177.827 178.270 -0.443 1
1 724 . 14 1 1 A 68 68 ASP CA C 68 57.170 57.742 -0.572 1
1 725 . 14 1 1 A 68 68 ASP CB C 68 41.380 42.490 -1.110 1
1 726 . 14 1 1 A 68 68 ASP N N 68 119.720 121.608 -1.888 1
1 727 . 14 1 1 A 69 69 LEU H H 69 7.153 7.461 -0.308 1
1 728 . 14 1 1 A 69 69 LEU HA H 69 2.561 3.051 -0.490 1
1 738 . 14 1 1 A 69 69 LEU C C 69 177.830 178.453 -0.623 1
1 739 . 14 1 1 A 69 69 LEU CA C 69 58.843 57.766 1.077 1
1 740 . 14 1 1 A 69 69 LEU CB C 69 42.203 41.498 0.705 1
1 744 . 14 1 1 A 69 69 LEU N N 69 122.181 120.071 2.110 1
1 745 . 14 1 1 A 70 70 VAL H H 70 8.167 8.145 0.022 1
1 746 . 14 1 1 A 70 70 VAL HA H 70 3.509 3.607 -0.098 1
1 754 . 14 1 1 A 70 70 VAL C C 70 177.695 178.159 -0.464 1
1 755 . 14 1 1 A 70 70 VAL CA C 70 65.582 67.148 -1.566 1
1 756 . 14 1 1 A 70 70 VAL CB C 70 31.409 31.467 -0.058 1
1 759 . 14 1 1 A 70 70 VAL N N 70 116.117 119.355 -3.238 1
1 760 . 14 1 1 A 71 71 LYS H H 71 7.665 8.389 -0.724 1
1 761 . 14 1 1 A 71 71 LYS HA H 71 3.854 4.101 -0.247 1
1 770 . 14 1 1 A 71 71 LYS C C 71 177.406 178.650 -1.244 1
1 771 . 14 1 1 A 71 71 LYS CA C 71 59.175 58.714 0.461 1
1 772 . 14 1 1 A 71 71 LYS CB C 71 32.804 31.889 0.915 1
1 776 . 14 1 1 A 71 71 LYS N N 71 116.326 120.098 -3.772 1
1 777 . 14 1 1 A 72 72 ALA H H 72 7.506 7.243 0.263 1
1 778 . 14 1 1 A 72 72 ALA HA H 72 4.391 4.278 0.113 1
1 782 . 14 1 1 A 72 72 ALA C C 72 180.756 178.769 1.987 1
1 783 . 14 1 1 A 72 72 ALA CA C 72 53.691 54.658 -0.967 1
1 784 . 14 1 1 A 72 72 ALA CB C 72 20.243 18.576 1.667 1
1 785 . 14 1 1 A 72 72 ALA N N 72 118.313 121.739 -3.426 1
1 786 . 14 1 1 A 73 73 ARG H H 73 7.603 7.467 0.136 1
1 787 . 14 1 1 A 73 73 ARG HA H 73 4.872 4.607 0.265 1
1 795 . 14 1 1 A 73 73 ARG C C 73 177.558 176.854 0.704 1
1 796 . 14 1 1 A 73 73 ARG CA C 73 51.230 54.795 -3.565 1
1 797 . 14 1 1 A 73 73 ARG CB C 73 25.568 28.417 -2.849 1
1 800 . 14 1 1 A 73 73 ARG N N 73 118.690 116.167 2.523 1
1 802 . 14 1 1 A 74 74 THR H H 74 8.261 7.701 0.560 1
1 803 . 14 1 1 A 74 74 THR HA H 74 4.552 4.399 0.153 1
1 808 . 14 1 1 A 74 74 THR C C 74 174.706 176.219 -1.513 1
1 809 . 14 1 1 A 74 74 THR CA C 74 62.876 64.460 -1.584 1
1 810 . 14 1 1 A 74 74 THR CB C 74 68.716 68.567 0.149 1
1 812 . 14 1 1 A 74 74 THR N N 74 115.950 112.957 2.993 1
1 813 . 14 1 1 A 75 75 ASP H H 75 9.542 8.152 1.390 1
1 814 . 14 1 1 A 75 75 ASP HA H 75 4.310 4.354 -0.044 1
1 817 . 14 1 1 A 75 75 ASP C C 75 175.958 177.183 -1.225 1
1 818 . 14 1 1 A 75 75 ASP CA C 75 54.476 56.338 -1.862 1
1 819 . 14 1 1 A 75 75 ASP CB C 75 38.969 40.831 -1.862 1
1 820 . 14 1 1 A 75 75 ASP N N 75 116.582 122.264 -5.682 1
1 821 . 14 1 1 A 76 76 LEU H H 76 7.078 7.591 -0.513 1
1 822 . 14 1 1 A 76 76 LEU HA H 76 4.225 3.980 0.245 1
1 832 . 14 1 1 A 76 76 LEU C C 76 177.244 175.946 1.298 1
1 833 . 14 1 1 A 76 76 LEU CA C 76 55.349 55.978 -0.629 1
1 834 . 14 1 1 A 76 76 LEU CB C 76 43.508 43.116 0.392 1
1 838 . 14 1 1 A 76 76 LEU N N 76 117.639 117.271 0.368 1
1 839 . 14 1 1 A 77 77 PHE H H 77 7.977 7.689 0.288 1
1 840 . 14 1 1 A 77 77 PHE HA H 77 5.648 5.090 0.558 1
1 848 . 14 1 1 A 77 77 PHE C C 77 175.868 174.793 1.075 1
1 849 . 14 1 1 A 77 77 PHE CA C 77 54.878 56.516 -1.638 1
1 850 . 14 1 1 A 77 77 PHE CB C 77 42.833 41.737 1.096 1
1 856 . 14 1 1 A 77 77 PHE N N 77 115.989 115.054 0.935 1
1 857 . 14 1 1 A 78 78 VAL H H 78 8.863 9.045 -0.182 1
1 858 . 14 1 1 A 78 78 VAL HA H 78 4.425 4.513 -0.088 1
1 866 . 14 1 1 A 78 78 VAL C C 78 175.288 175.669 -0.381 1
1 867 . 14 1 1 A 78 78 VAL CA C 78 61.575 62.036 -0.461 1
1 868 . 14 1 1 A 78 78 VAL CB C 78 33.988 32.057 1.931 1
1 871 . 14 1 1 A 78 78 VAL N N 78 123.339 122.972 0.367 1
1 872 . 14 1 1 A 79 79 THR H H 79 8.305 9.031 -0.726 1
1 873 . 14 1 1 A 79 79 THR HA H 79 5.882 5.541 0.341 1
1 878 . 14 1 1 A 79 79 THR C C 79 174.566 173.845 0.721 1
1 879 . 14 1 1 A 79 79 THR CA C 79 59.476 60.586 -1.110 1
1 880 . 14 1 1 A 79 79 THR CB C 79 73.090 70.686 2.404 1
1 882 . 14 1 1 A 79 79 THR N N 79 113.057 119.838 -6.781 1
1 883 . 14 1 1 A 80 80 GLU H H 80 8.962 8.657 0.305 1
1 884 . 14 1 1 A 80 80 GLU HA H 80 4.589 4.869 -0.280 1
1 889 . 14 1 1 A 80 80 GLU C C 80 174.040 175.598 -1.558 1
1 890 . 14 1 1 A 80 80 GLU CA C 80 55.878 55.386 0.492 1
1 891 . 14 1 1 A 80 80 GLU CB C 80 33.399 33.584 -0.185 1
1 893 . 14 1 1 A 80 80 GLU N N 80 117.934 122.890 -4.956 1
1 894 . 14 1 1 A 81 81 GLU H H 81 8.687 8.840 -0.153 1
1 895 . 14 1 1 A 81 81 GLU HA H 81 5.213 4.972 0.241 1
1 900 . 14 1 1 A 81 81 GLU C C 81 176.406 175.830 0.576 1
1 901 . 14 1 1 A 81 81 GLU CA C 81 55.186 56.183 -0.997 1
1 902 . 14 1 1 A 81 81 GLU CB C 81 31.544 30.844 0.700 1
1 904 . 14 1 1 A 81 81 GLU N N 81 122.400 123.710 -1.310 1
1 905 . 14 1 1 A 82 82 ARG H H 82 9.118 9.305 -0.187 1
1 906 . 14 1 1 A 82 82 ARG HA H 82 4.635 4.674 -0.039 1
1 914 . 14 1 1 A 82 82 ARG C C 82 175.222 174.831 0.391 1
1 915 . 14 1 1 A 82 82 ARG CA C 82 54.746 54.328 0.418 1
1 916 . 14 1 1 A 82 82 ARG CB C 82 33.719 33.505 0.214 1
1 919 . 14 1 1 A 82 82 ARG N N 82 121.851 123.864 -2.013 1
1 921 . 14 1 1 A 83 83 GLN H H 83 8.642 8.630 0.012 1
1 922 . 14 1 1 A 83 83 GLN HA H 83 4.340 4.622 -0.282 1
1 927 . 14 1 1 A 83 83 GLN C C 83 175.705 175.555 0.150 1
1 928 . 14 1 1 A 83 83 GLN CA C 83 56.094 55.713 0.381 1
1 929 . 14 1 1 A 83 83 GLN CB C 83 29.424 29.721 -0.297 1
1 931 . 14 1 1 A 83 83 GLN N N 83 121.976 123.568 -1.592 1
1 932 . 14 1 1 A 84 84 VAL H H 84 8.818 8.062 0.756 1
1 933 . 14 1 1 A 84 84 VAL HA H 84 4.399 4.495 -0.096 1
1 941 . 14 1 1 A 84 84 VAL C C 84 174.439 174.654 -0.215 1
1 942 . 14 1 1 A 84 84 VAL CA C 84 59.977 59.472 0.505 1
1 943 . 14 1 1 A 84 84 VAL CB C 84 32.948 32.117 0.831 1
1 946 . 14 1 1 A 84 84 VAL N N 84 128.548 126.241 2.307 1
1 947 . 14 1 1 A 85 85 PRO HA H 85 4.313 4.278 0.035 1
1 954 . 14 1 1 A 85 85 PRO C C 85 178.026 177.591 0.435 1
1 955 . 14 1 1 A 85 85 PRO CA C 85 64.139 63.923 0.216 1
1 956 . 14 1 1 A 85 85 PRO CB C 85 31.744 31.416 0.328 1
1 959 . 14 1 1 A 86 86 GLY H H 86 8.815 8.778 0.037 1
1 960 . 14 1 1 A 86 86 GLY HA2 H 86 3.751 4.065 -0.314 1
1 961 . 14 1 1 A 86 86 GLY HA3 H 86 4.148 4.067 0.081 1
1 962 . 14 1 1 A 86 86 GLY C C 86 173.673 173.576 0.097 1
1 963 . 14 1 1 A 86 86 GLY CA C 86 45.661 45.728 -0.067 1
1 964 . 14 1 1 A 86 86 GLY N N 86 111.839 112.940 -1.101 1
1 965 . 14 1 1 A 87 87 SER H H 87 8.029 7.489 0.540 1
1 966 . 14 1 1 A 87 87 SER HA H 87 4.955 4.937 0.018 1
1 969 . 14 1 1 A 87 87 SER C C 87 174.293 174.176 0.117 1
1 970 . 14 1 1 A 87 87 SER CA C 87 56.119 57.394 -1.275 1
1 971 . 14 1 1 A 87 87 SER CB C 87 65.288 66.073 -0.785 1
1 972 . 14 1 1 A 87 87 SER N N 87 114.255 114.895 -0.640 1
1 973 . 14 1 1 A 88 88 THR H H 88 8.366 8.359 0.007 1
1 974 . 14 1 1 A 88 88 THR HA H 88 4.438 4.320 0.118 1
1 979 . 14 1 1 A 88 88 THR C C 88 175.360 174.393 0.967 1
1 980 . 14 1 1 A 88 88 THR CA C 88 62.103 63.561 -1.458 1
1 981 . 14 1 1 A 88 88 THR CB C 88 69.017 69.651 -0.634 1
1 983 . 14 1 1 A 88 88 THR N N 88 112.921 119.579 -6.658 1
1 984 . 14 1 1 A 89 89 GLN H H 89 8.342 7.571 0.771 1
1 985 . 14 1 1 A 89 89 GLN HA H 89 4.382 4.445 -0.063 1
1 990 . 14 1 1 A 89 89 GLN C C 89 175.462 175.562 -0.100 1
1 991 . 14 1 1 A 89 89 GLN CA C 89 55.599 55.275 0.324 1
1 992 . 14 1 1 A 89 89 GLN CB C 89 30.016 30.248 -0.232 1
1 994 . 14 1 1 A 89 89 GLN N N 89 122.086 117.811 4.275 1
1 995 . 14 1 1 A 90 90 LYS H H 90 8.584 8.923 -0.339 1
1 996 . 14 1 1 A 90 90 LYS HA H 90 4.779 5.015 -0.236 1
1 1005 . 14 1 1 A 90 90 LYS C C 90 175.897 174.981 0.916 1
1 1006 . 14 1 1 A 90 90 LYS CA C 90 55.590 54.837 0.753 1
1 1007 . 14 1 1 A 90 90 LYS CB C 90 34.742 35.424 -0.682 1
1 1011 . 14 1 1 A 90 90 LYS N N 90 121.945 119.000 2.945 1
1 1012 . 14 1 1 A 91 91 ALA H H 91 8.975 9.212 -0.237 1
1 1013 . 14 1 1 A 91 91 ALA HA H 91 4.738 5.261 -0.523 1
1 1017 . 14 1 1 A 91 91 ALA C C 91 175.585 175.811 -0.226 1
1 1018 . 14 1 1 A 91 91 ALA CA C 91 50.741 50.101 0.640 1
1 1019 . 14 1 1 A 91 91 ALA CB C 91 22.890 20.971 1.919 1
1 1020 . 14 1 1 A 91 91 ALA N N 91 124.604 124.227 0.377 1
1 1021 . 14 1 1 A 92 92 LEU H H 92 8.523 8.645 -0.122 1
1 1022 . 14 1 1 A 92 92 LEU HA H 92 4.707 4.719 -0.012 1
1 1032 . 14 1 1 A 92 92 LEU C C 92 174.752 174.081 0.671 1
1 1033 . 14 1 1 A 92 92 LEU CA C 92 55.285 54.252 1.033 1
1 1034 . 14 1 1 A 92 92 LEU CB C 92 43.267 42.898 0.369 1
1 1038 . 14 1 1 A 92 92 LEU N N 92 123.888 125.400 -1.512 1
1 1039 . 14 1 1 A 93 93 TYR H H 93 9.289 9.209 0.080 1
1 1040 . 14 1 1 A 93 93 TYR HA H 93 5.269 5.185 0.084 1
1 1047 . 14 1 1 A 93 93 TYR C C 93 174.528 175.843 -1.315 1
1 1048 . 14 1 1 A 93 93 TYR CA C 93 56.505 56.972 -0.467 1
1 1049 . 14 1 1 A 93 93 TYR CB C 93 41.881 40.872 1.009 1
1 1054 . 14 1 1 A 93 93 TYR N N 93 126.872 127.700 -0.828 1
1 1055 . 14 1 1 A 94 94 LEU H H 94 9.551 9.188 0.363 1
1 1056 . 14 1 1 A 94 94 LEU HA H 94 5.869 5.600 0.269 1
1 1066 . 14 1 1 A 94 94 LEU C C 94 173.433 174.967 -1.534 1
1 1067 . 14 1 1 A 94 94 LEU CA C 94 54.131 53.442 0.689 1
1 1068 . 14 1 1 A 94 94 LEU CB C 94 46.320 45.662 0.658 1
1 1072 . 14 1 1 A 94 94 LEU N N 94 117.884 123.126 -5.242 1
1 1073 . 14 1 1 A 95 95 ARG H H 95 8.603 8.673 -0.070 1
1 1074 . 14 1 1 A 95 95 ARG HA H 95 4.707 4.845 -0.138 1
1 1082 . 14 1 1 A 95 95 ARG C C 95 174.605 174.525 0.080 1
1 1083 . 14 1 1 A 95 95 ARG CA C 95 53.795 53.838 -0.043 1
1 1084 . 14 1 1 A 95 95 ARG CB C 95 33.468 33.456 0.012 1
1 1087 . 14 1 1 A 95 95 ARG N N 95 116.939 120.908 -3.969 1
1 1089 . 14 1 1 A 96 96 ALA H H 96 9.072 8.565 0.507 1
1 1090 . 14 1 1 A 96 96 ALA HA H 96 4.404 4.381 0.023 1
1 1094 . 14 1 1 A 96 96 ALA C C 96 177.811 176.925 0.886 1
1 1095 . 14 1 1 A 96 96 ALA CA C 96 52.324 52.209 0.115 1
1 1096 . 14 1 1 A 96 96 ALA CB C 96 18.248 19.124 -0.876 1
1 1097 . 14 1 1 A 96 96 ALA N N 96 124.914 124.216 0.698 1
1 1098 . 14 1 1 A 97 97 LYS H H 97 7.989 8.026 -0.037 1
1 1099 . 14 1 1 A 97 97 LYS HA H 97 3.922 4.466 -0.544 1
1 1108 . 14 1 1 A 97 97 LYS C C 97 175.978 175.221 0.757 1
1 1109 . 14 1 1 A 97 97 LYS CA C 97 56.915 56.307 0.608 1
1 1110 . 14 1 1 A 97 97 LYS CB C 97 32.864 33.037 -0.173 1
1 1114 . 14 1 1 A 97 97 LYS N N 97 123.129 122.732 0.397 1
1 1115 . 14 1 1 A 98 98 LEU H H 98 8.118 8.957 -0.839 1
1 1116 . 14 1 1 A 98 98 LEU HA H 98 4.321 4.696 -0.375 1
1 1126 . 14 1 1 A 98 98 LEU C C 98 176.592 176.425 0.167 1
1 1127 . 14 1 1 A 98 98 LEU CA C 98 54.627 53.616 1.011 1
1 1128 . 14 1 1 A 98 98 LEU CB C 98 42.566 43.519 -0.953 1
1 1132 . 14 1 1 A 98 98 LEU N N 98 123.816 129.164 -5.348 1
1 1133 . 14 1 1 A 99 99 GLU H H 99 8.376 8.656 -0.280 1
1 1134 . 14 1 1 A 99 99 GLU C C 99 175.790 175.650 0.140 1
1 1 . 15 1 1 A 5 5 SER H H 5 8.350 8.717 -0.367 1
1 2 . 15 1 1 A 5 5 SER N N 5 116.816 123.937 -7.121 1
1 3 . 15 1 1 A 9 9 GLN H H 9 8.479 8.364 0.115 1
1 4 . 15 1 1 A 9 9 GLN N N 9 121.973 120.738 1.235 1
1 5 . 15 1 1 A 10 10 PRO HA H 10 4.392 4.407 -0.015 1
1 8 . 15 1 1 A 10 10 PRO C C 10 176.702 177.094 -0.392 1
1 9 . 15 1 1 A 10 10 PRO CA C 10 63.029 63.749 -0.720 1
1 10 . 15 1 1 A 10 10 PRO CB C 10 32.056 32.010 0.046 1
1 11 . 15 1 1 A 11 11 ALA H H 11 8.421 8.601 -0.180 1
1 12 . 15 1 1 A 11 11 ALA HA H 11 4.254 3.819 0.435 1
1 16 . 15 1 1 A 11 11 ALA C C 11 177.592 176.471 1.121 1
1 17 . 15 1 1 A 11 11 ALA CA C 11 52.405 53.309 -0.904 1
1 18 . 15 1 1 A 11 11 ALA CB C 11 19.242 17.508 1.734 1
1 19 . 15 1 1 A 11 11 ALA N N 11 124.566 120.447 4.119 1
1 20 . 15 1 1 A 12 12 ALA H H 12 8.297 7.686 0.611 1
1 21 . 15 1 1 A 12 12 ALA HA H 12 4.278 4.264 0.014 1
1 25 . 15 1 1 A 12 12 ALA C C 12 177.607 177.237 0.370 1
1 26 . 15 1 1 A 12 12 ALA CA C 12 52.402 52.132 0.270 1
1 27 . 15 1 1 A 12 12 ALA CB C 12 19.397 18.749 0.648 1
1 28 . 15 1 1 A 12 12 ALA N N 12 123.470 119.819 3.651 1
1 29 . 15 1 1 A 13 13 GLN H H 13 8.302 8.483 -0.181 1
1 30 . 15 1 1 A 13 13 GLN HA H 13 4.304 4.401 -0.097 1
1 33 . 15 1 1 A 13 13 GLN C C 13 175.344 175.770 -0.426 1
1 34 . 15 1 1 A 13 13 GLN CA C 13 55.396 56.659 -1.263 1
1 35 . 15 1 1 A 13 13 GLN CB C 13 29.738 29.299 0.439 1
1 36 . 15 1 1 A 13 13 GLN N N 13 119.718 123.020 -3.302 1
1 37 . 15 1 1 A 14 14 ALA H H 14 8.405 8.631 -0.226 1
1 38 . 15 1 1 A 14 14 ALA HA H 14 4.580 4.803 -0.223 1
1 42 . 15 1 1 A 14 14 ALA C C 14 175.619 175.677 -0.058 1
1 43 . 15 1 1 A 14 14 ALA CA C 14 50.607 49.330 1.277 1
1 44 . 15 1 1 A 14 14 ALA CB C 14 18.031 20.568 -2.537 1
1 45 . 15 1 1 A 14 14 ALA N N 14 127.291 125.043 2.248 1
1 46 . 15 1 1 A 15 15 PRO HA H 15 4.399 4.569 -0.170 1
1 49 . 15 1 1 A 15 15 PRO C C 15 177.086 177.228 -0.142 1
1 50 . 15 1 1 A 15 15 PRO CA C 15 63.294 62.574 0.720 1
1 51 . 15 1 1 A 15 15 PRO CB C 15 31.988 33.016 -1.028 1
1 52 . 15 1 1 A 16 16 GLU H H 16 8.656 8.783 -0.127 1
1 53 . 15 1 1 A 16 16 GLU HA H 16 4.306 4.103 0.203 1
1 56 . 15 1 1 A 16 16 GLU C C 16 176.897 176.315 0.582 1
1 57 . 15 1 1 A 16 16 GLU CA C 16 56.771 59.523 -2.752 1
1 58 . 15 1 1 A 16 16 GLU CB C 16 30.209 30.030 0.179 1
1 59 . 15 1 1 A 16 16 GLU N N 16 120.957 121.007 -0.050 1
1 60 . 15 1 1 A 17 17 THR H H 17 8.202 8.144 0.058 1
1 61 . 15 1 1 A 17 17 THR HA H 17 4.336 4.500 -0.164 1
1 66 . 15 1 1 A 17 17 THR C C 17 174.612 172.860 1.752 1
1 67 . 15 1 1 A 17 17 THR CA C 17 61.981 62.154 -0.173 1
1 68 . 15 1 1 A 17 17 THR CB C 17 69.928 69.027 0.901 1
1 70 . 15 1 1 A 17 17 THR N N 17 115.763 113.788 1.975 1
1 71 . 15 1 1 A 18 18 LYS H H 18 8.373 9.070 -0.697 1
1 72 . 15 1 1 A 18 18 LYS HA H 18 4.365 4.931 -0.566 1
1 81 . 15 1 1 A 18 18 LYS C C 18 176.509 175.049 1.460 1
1 82 . 15 1 1 A 18 18 LYS CA C 18 56.348 54.554 1.794 1
1 83 . 15 1 1 A 18 18 LYS CB C 18 33.051 34.809 -1.758 1
1 87 . 15 1 1 A 18 18 LYS N N 18 123.975 128.638 -4.663 1
1 88 . 15 1 1 A 19 19 GLN H H 19 8.387 8.952 -0.565 1
1 89 . 15 1 1 A 19 19 GLN HA H 19 4.378 5.031 -0.653 1
1 96 . 15 1 1 A 19 19 GLN C C 19 175.630 175.011 0.619 1
1 97 . 15 1 1 A 19 19 GLN CA C 19 55.614 54.193 1.421 1
1 98 . 15 1 1 A 19 19 GLN CB C 19 29.749 31.036 -1.287 1
1 100 . 15 1 1 A 19 19 GLN N N 19 121.480 125.972 -4.492 1
1 102 . 15 1 1 A 20 20 ALA H H 20 8.505 8.882 -0.377 1
1 103 . 15 1 1 A 20 20 ALA HA H 20 4.449 5.128 -0.679 1
1 107 . 15 1 1 A 20 20 ALA C C 20 177.361 176.641 0.720 1
1 108 . 15 1 1 A 20 20 ALA CA C 20 52.165 50.385 1.780 1
1 109 . 15 1 1 A 20 20 ALA CB C 20 19.253 22.055 -2.802 1
1 110 . 15 1 1 A 20 20 ALA N N 20 125.974 121.690 4.284 1
1 111 . 15 1 1 A 21 21 PHE H H 21 8.851 8.646 0.205 1
1 112 . 15 1 1 A 21 21 PHE HA H 21 4.422 4.682 -0.260 1
1 120 . 15 1 1 A 21 21 PHE C C 21 176.063 174.589 1.474 1
1 121 . 15 1 1 A 21 21 PHE CA C 21 56.142 57.568 -1.426 1
1 122 . 15 1 1 A 21 21 PHE CB C 21 39.867 39.030 0.837 1
1 128 . 15 1 1 A 21 21 PHE N N 21 124.486 121.234 3.252 1
1 129 . 15 1 1 A 22 22 PRO HA H 22 4.856 4.837 0.019 1
1 136 . 15 1 1 A 22 22 PRO C C 22 174.848 177.096 -2.248 1
1 137 . 15 1 1 A 22 22 PRO CA C 22 62.078 62.412 -0.334 1
1 138 . 15 1 1 A 22 22 PRO CB C 22 28.563 30.873 -2.310 1
1 141 . 15 1 1 A 23 23 ARG H H 23 8.356 8.617 -0.261 1
1 142 . 15 1 1 A 23 23 ARG HA H 23 3.650 4.066 -0.416 1
1 149 . 15 1 1 A 23 23 ARG C C 23 176.762 178.287 -1.525 1
1 150 . 15 1 1 A 23 23 ARG CA C 23 60.448 58.353 2.095 1
1 151 . 15 1 1 A 23 23 ARG CB C 23 31.422 29.650 1.772 1
1 154 . 15 1 1 A 23 23 ARG N N 23 126.815 123.925 2.890 1
1 155 . 15 1 1 A 24 24 LYS H H 24 8.555 8.067 0.488 1
1 156 . 15 1 1 A 24 24 LYS HA H 24 3.926 4.012 -0.086 1
1 165 . 15 1 1 A 24 24 LYS C C 24 179.506 178.277 1.229 1
1 166 . 15 1 1 A 24 24 LYS CA C 24 59.888 58.673 1.215 1
1 167 . 15 1 1 A 24 24 LYS CB C 24 31.782 32.059 -0.277 1
1 171 . 15 1 1 A 24 24 LYS N N 24 116.573 119.060 -2.487 1
1 172 . 15 1 1 A 25 25 PHE H H 25 7.575 7.546 0.029 1
1 173 . 15 1 1 A 25 25 PHE HA H 25 4.487 4.461 0.026 1
1 181 . 15 1 1 A 25 25 PHE C C 25 177.447 178.033 -0.586 1
1 182 . 15 1 1 A 25 25 PHE CA C 25 59.779 60.122 -0.343 1
1 183 . 15 1 1 A 25 25 PHE CB C 25 38.791 40.011 -1.220 1
1 189 . 15 1 1 A 25 25 PHE N N 25 118.123 117.805 0.318 1
1 190 . 15 1 1 A 26 26 VAL H H 26 8.024 8.190 -0.166 1
1 191 . 15 1 1 A 26 26 VAL HA H 26 3.608 3.669 -0.061 1
1 199 . 15 1 1 A 26 26 VAL C C 26 177.770 178.076 -0.306 1
1 200 . 15 1 1 A 26 26 VAL CA C 26 66.473 66.871 -0.398 1
1 201 . 15 1 1 A 26 26 VAL CB C 26 31.408 31.730 -0.322 1
1 204 . 15 1 1 A 26 26 VAL N N 26 117.081 119.528 -2.447 1
1 205 . 15 1 1 A 27 27 LEU H H 27 8.220 8.432 -0.212 1
1 206 . 15 1 1 A 27 27 LEU HA H 27 4.234 4.405 -0.171 1
1 216 . 15 1 1 A 27 27 LEU C C 27 180.010 179.788 0.222 1
1 217 . 15 1 1 A 27 27 LEU CA C 27 57.864 57.388 0.476 1
1 218 . 15 1 1 A 27 27 LEU CB C 27 40.488 40.527 -0.039 1
1 222 . 15 1 1 A 27 27 LEU N N 27 118.748 117.859 0.889 1
1 223 . 15 1 1 A 28 28 ALA H H 28 8.014 8.182 -0.168 1
1 224 . 15 1 1 A 28 28 ALA HA H 28 4.289 4.075 0.214 1
1 228 . 15 1 1 A 28 28 ALA C C 28 179.951 179.814 0.137 1
1 229 . 15 1 1 A 28 28 ALA CA C 28 55.110 55.250 -0.140 1
1 230 . 15 1 1 A 28 28 ALA CB C 28 17.970 17.719 0.251 1
1 231 . 15 1 1 A 28 28 ALA N N 28 124.088 122.556 1.532 1
1 232 . 15 1 1 A 29 29 ALA H H 29 8.259 8.226 0.033 1
1 233 . 15 1 1 A 29 29 ALA HA H 29 3.942 4.532 -0.590 1
1 237 . 15 1 1 A 29 29 ALA C C 29 180.505 180.203 0.302 1
1 238 . 15 1 1 A 29 29 ALA CA C 29 54.976 55.216 -0.240 1
1 239 . 15 1 1 A 29 29 ALA CB C 29 17.923 18.260 -0.337 1
1 240 . 15 1 1 A 29 29 ALA N N 29 120.431 121.373 -0.942 1
1 241 . 15 1 1 A 30 30 LEU H H 30 8.098 8.389 -0.291 1
1 242 . 15 1 1 A 30 30 LEU HA H 30 4.007 4.386 -0.379 1
1 252 . 15 1 1 A 30 30 LEU C C 30 178.315 178.376 -0.061 1
1 253 . 15 1 1 A 30 30 LEU CA C 30 58.096 58.618 -0.522 1
1 254 . 15 1 1 A 30 30 LEU CB C 30 41.486 41.857 -0.371 1
1 258 . 15 1 1 A 30 30 LEU N N 30 120.849 120.573 0.276 1
1 259 . 15 1 1 A 31 31 GLU H H 31 8.115 8.410 -0.295 1
1 260 . 15 1 1 A 31 31 GLU HA H 31 3.967 4.090 -0.123 1
1 265 . 15 1 1 A 31 31 GLU C C 31 179.473 178.050 1.423 1
1 266 . 15 1 1 A 31 31 GLU CA C 31 59.683 59.242 0.441 1
1 267 . 15 1 1 A 31 31 GLU CB C 31 29.402 29.245 0.157 1
1 269 . 15 1 1 A 31 31 GLU N N 31 120.752 117.472 3.280 1
1 270 . 15 1 1 A 32 32 GLN H H 32 7.812 7.659 0.153 1
1 271 . 15 1 1 A 32 32 GLN HA H 32 4.001 4.101 -0.100 1
1 278 . 15 1 1 A 32 32 GLN C C 32 176.519 177.135 -0.616 1
1 279 . 15 1 1 A 32 32 GLN CA C 32 57.576 58.076 -0.500 1
1 280 . 15 1 1 A 32 32 GLN CB C 32 29.108 28.135 0.973 1
1 282 . 15 1 1 A 32 32 GLN N N 32 114.711 119.067 -4.356 1
1 284 . 15 1 1 A 33 33 SER H H 33 7.460 7.536 -0.076 1
1 285 . 15 1 1 A 33 33 SER HA H 33 4.257 4.573 -0.316 1
1 288 . 15 1 1 A 33 33 SER C C 33 174.508 174.430 0.078 1
1 289 . 15 1 1 A 33 33 SER CA C 33 58.504 57.964 0.540 1
1 290 . 15 1 1 A 33 33 SER CB C 33 65.131 63.981 1.150 1
1 291 . 15 1 1 A 33 33 SER N N 33 110.604 113.635 -3.031 1
1 292 . 15 1 1 A 34 34 SER H H 34 7.429 7.347 0.082 1
1 293 . 15 1 1 A 34 34 SER HA H 34 4.468 4.640 -0.172 1
1 296 . 15 1 1 A 34 34 SER C C 34 174.588 174.335 0.253 1
1 297 . 15 1 1 A 34 34 SER CA C 34 58.556 58.728 -0.172 1
1 298 . 15 1 1 A 34 34 SER CB C 34 65.278 64.162 1.116 1
1 299 . 15 1 1 A 34 34 SER N N 34 117.544 119.184 -1.640 1
1 300 . 15 1 1 A 35 35 ASP H H 35 8.822 9.265 -0.443 1
1 301 . 15 1 1 A 35 35 ASP HA H 35 4.778 4.855 -0.077 1
1 304 . 15 1 1 A 35 35 ASP C C 35 178.268 177.505 0.763 1
1 305 . 15 1 1 A 35 35 ASP CA C 35 52.849 54.145 -1.296 1
1 306 . 15 1 1 A 35 35 ASP CB C 35 41.314 41.809 -0.495 1
1 307 . 15 1 1 A 35 35 ASP N N 35 121.575 123.616 -2.041 1
1 308 . 15 1 1 A 36 36 ASP H H 36 8.483 9.030 -0.547 1
1 309 . 15 1 1 A 36 36 ASP HA H 36 4.414 4.261 0.153 1
1 312 . 15 1 1 A 36 36 ASP C C 36 176.670 177.063 -0.393 1
1 313 . 15 1 1 A 36 36 ASP CA C 36 56.605 56.526 0.079 1
1 314 . 15 1 1 A 36 36 ASP CB C 36 40.286 40.567 -0.281 1
1 315 . 15 1 1 A 36 36 ASP N N 36 117.398 122.810 -5.412 1
1 316 . 15 1 1 A 37 37 ALA H H 37 8.242 7.609 0.633 1
1 317 . 15 1 1 A 37 37 ALA HA H 37 4.532 4.407 0.125 1
1 321 . 15 1 1 A 37 37 ALA C C 37 177.407 177.916 -0.509 1
1 322 . 15 1 1 A 37 37 ALA CA C 37 51.677 52.130 -0.453 1
1 323 . 15 1 1 A 37 37 ALA CB C 37 19.774 19.329 0.445 1
1 324 . 15 1 1 A 37 37 ALA N N 37 122.052 118.755 3.297 1
1 325 . 15 1 1 A 38 38 GLY H H 38 8.155 8.332 -0.177 1
1 326 . 15 1 1 A 38 38 GLY HA2 H 38 3.624 3.798 -0.174 1
1 327 . 15 1 1 A 38 38 GLY HA3 H 38 4.080 3.853 0.227 1
1 328 . 15 1 1 A 38 38 GLY C C 38 173.417 173.967 -0.550 1
1 329 . 15 1 1 A 38 38 GLY CA C 38 45.093 45.142 -0.049 1
1 330 . 15 1 1 A 38 38 GLY N N 38 107.721 106.447 1.274 1
1 331 . 15 1 1 A 39 39 TRP H H 39 8.449 7.977 0.472 1
1 332 . 15 1 1 A 39 39 TRP HA H 39 5.054 4.780 0.274 1
1 341 . 15 1 1 A 39 39 TRP C C 39 176.577 175.840 0.737 1
1 342 . 15 1 1 A 39 39 TRP CA C 39 56.596 57.290 -0.694 1
1 343 . 15 1 1 A 39 39 TRP CB C 39 32.184 31.390 0.794 1
1 349 . 15 1 1 A 39 39 TRP N N 39 119.797 121.330 -1.533 1
1 351 . 15 1 1 A 40 40 ALA H H 40 9.855 9.193 0.662 1
1 352 . 15 1 1 A 40 40 ALA HA H 40 5.099 5.238 -0.139 1
1 356 . 15 1 1 A 40 40 ALA C C 40 176.165 177.007 -0.842 1
1 357 . 15 1 1 A 40 40 ALA CA C 40 50.202 50.528 -0.326 1
1 358 . 15 1 1 A 40 40 ALA CB C 40 23.153 20.901 2.252 1
1 359 . 15 1 1 A 40 40 ALA N N 40 124.618 126.102 -1.484 1
1 360 . 15 1 1 A 41 41 ASN H H 41 8.794 8.584 0.210 1
1 361 . 15 1 1 A 41 41 ASN HA H 41 3.771 3.977 -0.206 1
1 366 . 15 1 1 A 41 41 ASN C C 41 175.824 176.462 -0.638 1
1 367 . 15 1 1 A 41 41 ASN CA C 41 52.724 53.029 -0.305 1
1 368 . 15 1 1 A 41 41 ASN CB C 41 39.927 39.587 0.340 1
1 369 . 15 1 1 A 41 41 ASN N N 41 121.050 122.478 -1.428 1
1 371 . 15 1 1 A 42 42 LEU H H 42 8.493 8.783 -0.290 1
1 372 . 15 1 1 A 42 42 LEU HA H 42 3.834 4.034 -0.200 1
1 382 . 15 1 1 A 42 42 LEU C C 42 178.256 178.893 -0.637 1
1 383 . 15 1 1 A 42 42 LEU CA C 42 58.859 58.164 0.695 1
1 384 . 15 1 1 A 42 42 LEU CB C 42 42.233 41.653 0.580 1
1 388 . 15 1 1 A 42 42 LEU N N 42 126.418 129.350 -2.932 1
1 389 . 15 1 1 A 43 43 GLY H H 43 8.440 8.321 0.119 1
1 390 . 15 1 1 A 43 43 GLY HA2 H 43 3.912 3.738 0.174 1
1 391 . 15 1 1 A 43 43 GLY HA3 H 43 3.822 3.758 0.064 1
1 392 . 15 1 1 A 43 43 GLY C C 43 176.344 176.314 0.030 1
1 393 . 15 1 1 A 43 43 GLY CA C 43 47.070 47.372 -0.302 1
1 394 . 15 1 1 A 43 43 GLY N N 43 106.800 106.938 -0.138 1
1 395 . 15 1 1 A 44 44 ASN H H 44 7.916 7.729 0.187 1
1 396 . 15 1 1 A 44 44 ASN HA H 44 4.472 4.483 -0.011 1
1 401 . 15 1 1 A 44 44 ASN C C 44 177.888 177.679 0.209 1
1 402 . 15 1 1 A 44 44 ASN CA C 44 56.004 55.986 0.018 1
1 403 . 15 1 1 A 44 44 ASN CB C 44 38.316 38.361 -0.045 1
1 404 . 15 1 1 A 44 44 ASN N N 44 121.472 120.377 1.095 1
1 406 . 15 1 1 A 45 45 PHE H H 45 8.563 8.535 0.028 1
1 407 . 15 1 1 A 45 45 PHE HA H 45 4.498 4.190 0.308 1
1 415 . 15 1 1 A 45 45 PHE C C 45 176.732 177.911 -1.179 1
1 416 . 15 1 1 A 45 45 PHE CA C 45 60.350 61.072 -0.722 1
1 417 . 15 1 1 A 45 45 PHE CB C 45 38.824 39.381 -0.557 1
1 423 . 15 1 1 A 45 45 PHE N N 45 121.835 121.094 0.741 1
1 424 . 15 1 1 A 46 46 GLY H H 46 8.933 8.834 0.099 1
1 425 . 15 1 1 A 46 46 GLY HA2 H 46 3.820 3.520 0.300 1
1 426 . 15 1 1 A 46 46 GLY HA3 H 46 3.186 3.693 -0.507 1
1 427 . 15 1 1 A 46 46 GLY C C 46 176.053 175.654 0.399 1
1 428 . 15 1 1 A 46 46 GLY CA C 46 47.171 46.979 0.192 1
1 429 . 15 1 1 A 46 46 GLY N N 46 106.269 106.747 -0.478 1
1 430 . 15 1 1 A 47 47 ASN H H 47 7.812 7.872 -0.060 1
1 431 . 15 1 1 A 47 47 ASN HA H 47 4.470 4.447 0.023 1
1 436 . 15 1 1 A 47 47 ASN C C 47 178.087 177.372 0.715 1
1 437 . 15 1 1 A 47 47 ASN CA C 47 55.974 56.041 -0.067 1
1 438 . 15 1 1 A 47 47 ASN CB C 47 38.149 38.979 -0.830 1
1 439 . 15 1 1 A 47 47 ASN N N 47 120.030 119.914 0.116 1
1 441 . 15 1 1 A 48 48 TYR H H 48 8.093 8.151 -0.058 1
1 442 . 15 1 1 A 48 48 TYR HA H 48 4.007 4.194 -0.187 1
1 449 . 15 1 1 A 48 48 TYR C C 48 178.310 177.593 0.717 1
1 450 . 15 1 1 A 48 48 TYR CA C 48 62.527 61.252 1.275 1
1 451 . 15 1 1 A 48 48 TYR CB C 48 38.254 38.723 -0.469 1
1 456 . 15 1 1 A 48 48 TYR N N 48 121.030 120.132 0.898 1
1 457 . 15 1 1 A 49 49 LEU H H 49 8.480 8.433 0.047 1
1 458 . 15 1 1 A 49 49 LEU HA H 49 3.624 3.841 -0.217 1
1 468 . 15 1 1 A 49 49 LEU C C 49 177.653 178.294 -0.641 1
1 469 . 15 1 1 A 49 49 LEU CA C 49 58.321 57.923 0.398 1
1 470 . 15 1 1 A 49 49 LEU CB C 49 41.046 40.746 0.300 1
1 474 . 15 1 1 A 49 49 LEU N N 49 121.024 121.032 -0.008 1
1 475 . 15 1 1 A 50 50 ASN H H 50 7.564 7.746 -0.182 1
1 476 . 15 1 1 A 50 50 ASN HA H 50 4.493 4.545 -0.052 1
1 481 . 15 1 1 A 50 50 ASN C C 50 176.498 177.178 -0.680 1
1 482 . 15 1 1 A 50 50 ASN CA C 50 55.479 55.359 0.120 1
1 483 . 15 1 1 A 50 50 ASN CB C 50 39.302 39.104 0.198 1
1 484 . 15 1 1 A 50 50 ASN N N 50 114.582 115.804 -1.222 1
1 486 . 15 1 1 A 51 51 LYS H H 51 7.370 7.675 -0.305 1
1 487 . 15 1 1 A 51 51 LYS HA H 51 3.990 3.993 -0.003 1
1 496 . 15 1 1 A 51 51 LYS C C 51 178.403 179.215 -0.812 1
1 497 . 15 1 1 A 51 51 LYS CA C 51 58.512 59.011 -0.499 1
1 498 . 15 1 1 A 51 51 LYS CB C 51 32.245 32.493 -0.248 1
1 502 . 15 1 1 A 51 51 LYS N N 51 118.289 118.495 -0.206 1
1 503 . 15 1 1 A 52 52 LEU H H 52 7.518 6.937 0.581 1
1 504 . 15 1 1 A 52 52 LEU HA H 52 4.085 4.105 -0.020 1
1 514 . 15 1 1 A 52 52 LEU C C 52 177.924 176.580 1.344 1
1 515 . 15 1 1 A 52 52 LEU CA C 52 56.424 56.524 -0.100 1
1 516 . 15 1 1 A 52 52 LEU CB C 52 42.952 43.270 -0.318 1
1 520 . 15 1 1 A 52 52 LEU N N 52 117.841 118.801 -0.960 1
1 521 . 15 1 1 A 53 53 GLN H H 53 8.438 7.909 0.529 1
1 522 . 15 1 1 A 53 53 GLN HA H 53 4.583 4.627 -0.044 1
1 529 . 15 1 1 A 53 53 GLN C C 53 172.039 174.127 -2.088 1
1 530 . 15 1 1 A 53 53 GLN CA C 53 52.780 53.485 -0.705 1
1 531 . 15 1 1 A 53 53 GLN CB C 53 29.902 29.030 0.872 1
1 533 . 15 1 1 A 53 53 GLN N N 53 118.578 117.890 0.688 1
1 535 . 15 1 1 A 54 54 PRO HA H 54 4.718 4.429 0.289 1
1 542 . 15 1 1 A 54 54 PRO C C 54 177.295 177.397 -0.102 1
1 543 . 15 1 1 A 54 54 PRO CA C 54 64.754 64.323 0.431 1
1 544 . 15 1 1 A 54 54 PRO CB C 54 31.924 31.926 -0.002 1
1 547 . 15 1 1 A 55 55 ASP H H 55 8.349 8.351 -0.002 1
1 548 . 15 1 1 A 55 55 ASP HA H 55 4.596 4.574 0.022 1
1 551 . 15 1 1 A 55 55 ASP C C 55 176.361 176.005 0.356 1
1 552 . 15 1 1 A 55 55 ASP CA C 55 53.467 55.473 -2.006 1
1 553 . 15 1 1 A 55 55 ASP CB C 55 40.050 40.691 -0.641 1
1 554 . 15 1 1 A 55 55 ASP N N 55 114.766 116.645 -1.879 1
1 555 . 15 1 1 A 56 56 PHE H H 56 8.187 7.827 0.360 1
1 556 . 15 1 1 A 56 56 PHE HA H 56 4.055 4.960 -0.905 1
1 564 . 15 1 1 A 56 56 PHE C C 56 175.257 173.826 1.431 1
1 565 . 15 1 1 A 56 56 PHE CA C 56 61.149 56.300 4.849 1
1 566 . 15 1 1 A 56 56 PHE CB C 56 38.680 39.443 -0.763 1
1 572 . 15 1 1 A 56 56 PHE N N 56 122.323 120.891 1.432 1
1 573 . 15 1 1 A 57 57 ASP H H 57 6.887 8.575 -1.688 1
1 574 . 15 1 1 A 57 57 ASP HA H 57 4.670 4.938 -0.268 1
1 577 . 15 1 1 A 57 57 ASP C C 57 176.308 177.028 -0.720 1
1 578 . 15 1 1 A 57 57 ASP CA C 57 52.895 52.737 0.158 1
1 579 . 15 1 1 A 57 57 ASP CB C 57 42.942 42.935 0.007 1
1 580 . 15 1 1 A 57 57 ASP N N 57 127.342 128.141 -0.799 1
1 581 . 15 1 1 A 58 58 SER H H 58 9.284 8.910 0.374 1
1 582 . 15 1 1 A 58 58 SER HA H 58 3.991 4.120 -0.129 1
1 585 . 15 1 1 A 58 58 SER C C 58 176.248 176.465 -0.217 1
1 586 . 15 1 1 A 58 58 SER CA C 58 63.050 61.771 1.279 1
1 587 . 15 1 1 A 58 58 SER CB C 58 63.339 62.590 0.749 1
1 588 . 15 1 1 A 58 58 SER N N 58 123.478 121.819 1.659 1
1 589 . 15 1 1 A 59 59 ARG H H 59 8.639 7.825 0.814 1
1 590 . 15 1 1 A 59 59 ARG HA H 59 4.073 4.205 -0.132 1
1 597 . 15 1 1 A 59 59 ARG C C 59 180.693 178.979 1.714 1
1 598 . 15 1 1 A 59 59 ARG CA C 59 58.787 59.087 -0.300 1
1 599 . 15 1 1 A 59 59 ARG CB C 59 29.824 29.918 -0.094 1
1 602 . 15 1 1 A 59 59 ARG N N 59 123.207 123.074 0.133 1
1 603 . 15 1 1 A 60 60 LEU H H 60 7.460 7.984 -0.524 1
1 604 . 15 1 1 A 60 60 LEU HA H 60 3.841 3.948 -0.107 1
1 614 . 15 1 1 A 60 60 LEU C C 60 177.018 177.732 -0.714 1
1 615 . 15 1 1 A 60 60 LEU CA C 60 56.556 57.560 -1.004 1
1 616 . 15 1 1 A 60 60 LEU CB C 60 41.013 41.431 -0.418 1
1 620 . 15 1 1 A 60 60 LEU N N 60 120.191 118.861 1.330 1
1 621 . 15 1 1 A 61 61 TYR H H 61 7.200 7.748 -0.548 1
1 622 . 15 1 1 A 61 61 TYR HA H 61 4.781 4.679 0.102 1
1 629 . 15 1 1 A 61 61 TYR C C 61 175.303 175.694 -0.391 1
1 630 . 15 1 1 A 61 61 TYR CA C 61 56.371 57.897 -1.526 1
1 631 . 15 1 1 A 61 61 TYR CB C 61 38.825 38.956 -0.131 1
1 636 . 15 1 1 A 61 61 TYR N N 61 114.720 115.629 -0.909 1
1 637 . 15 1 1 A 62 62 GLY H H 62 7.354 7.762 -0.408 1
1 638 . 15 1 1 A 62 62 GLY HA2 H 62 3.968 3.902 0.066 1
1 639 . 15 1 1 A 62 62 GLY HA3 H 62 3.552 3.957 -0.405 1
1 640 . 15 1 1 A 62 62 GLY C C 62 173.542 174.019 -0.477 1
1 641 . 15 1 1 A 62 62 GLY CA C 62 44.889 46.246 -1.357 1
1 642 . 15 1 1 A 62 62 GLY N N 62 104.100 109.350 -5.250 1
1 643 . 15 1 1 A 63 63 TYR H H 63 7.377 7.689 -0.312 1
1 644 . 15 1 1 A 63 63 TYR HA H 63 4.937 4.765 0.172 1
1 651 . 15 1 1 A 63 63 TYR C C 63 175.675 176.116 -0.441 1
1 652 . 15 1 1 A 63 63 TYR CA C 63 56.902 57.509 -0.607 1
1 653 . 15 1 1 A 63 63 TYR CB C 63 42.609 40.912 1.697 1
1 658 . 15 1 1 A 63 63 TYR N N 63 117.874 118.943 -1.069 1
1 659 . 15 1 1 A 64 64 LYS H H 64 9.403 8.804 0.599 1
1 660 . 15 1 1 A 64 64 LYS HA H 64 3.914 4.189 -0.275 1
1 669 . 15 1 1 A 64 64 LYS C C 64 176.334 176.536 -0.202 1
1 670 . 15 1 1 A 64 64 LYS CA C 64 59.534 58.127 1.407 1
1 671 . 15 1 1 A 64 64 LYS CB C 64 32.892 32.973 -0.081 1
1 675 . 15 1 1 A 64 64 LYS N N 64 123.946 123.739 0.207 1
1 676 . 15 1 1 A 65 65 LYS H H 65 7.635 7.556 0.079 1
1 677 . 15 1 1 A 65 65 LYS HA H 65 4.787 4.658 0.129 1
1 686 . 15 1 1 A 65 65 LYS C C 65 177.231 176.516 0.715 1
1 687 . 15 1 1 A 65 65 LYS CA C 65 54.089 55.270 -1.181 1
1 688 . 15 1 1 A 65 65 LYS CB C 65 35.722 34.473 1.249 1
1 692 . 15 1 1 A 65 65 LYS N N 65 112.461 114.803 -2.342 1
1 693 . 15 1 1 A 66 66 LEU H H 66 9.090 8.754 0.336 1
1 694 . 15 1 1 A 66 66 LEU HA H 66 4.240 4.030 0.210 1
1 704 . 15 1 1 A 66 66 LEU C C 66 178.820 178.137 0.683 1
1 705 . 15 1 1 A 66 66 LEU CA C 66 58.129 58.232 -0.103 1
1 706 . 15 1 1 A 66 66 LEU CB C 66 41.476 41.357 0.119 1
1 710 . 15 1 1 A 66 66 LEU N N 66 124.584 121.879 2.705 1
1 711 . 15 1 1 A 67 67 SER H H 67 8.867 8.325 0.542 1
1 712 . 15 1 1 A 67 67 SER HA H 67 3.697 4.156 -0.459 1
1 715 . 15 1 1 A 67 67 SER C C 67 175.588 176.218 -0.630 1
1 716 . 15 1 1 A 67 67 SER CA C 67 61.518 61.360 0.158 1
1 717 . 15 1 1 A 67 67 SER CB C 67 61.537 62.580 -1.043 1
1 718 . 15 1 1 A 67 67 SER N N 67 112.095 114.630 -2.535 1
1 719 . 15 1 1 A 68 68 ASP H H 68 6.783 8.279 -1.496 1
1 720 . 15 1 1 A 68 68 ASP HA H 68 4.356 4.420 -0.064 1
1 723 . 15 1 1 A 68 68 ASP C C 68 177.827 178.290 -0.463 1
1 724 . 15 1 1 A 68 68 ASP CA C 68 57.170 57.790 -0.620 1
1 725 . 15 1 1 A 68 68 ASP CB C 68 41.380 41.269 0.111 1
1 726 . 15 1 1 A 68 68 ASP N N 68 119.720 121.508 -1.788 1
1 727 . 15 1 1 A 69 69 LEU H H 69 7.153 7.675 -0.522 1
1 728 . 15 1 1 A 69 69 LEU HA H 69 2.561 3.203 -0.642 1
1 738 . 15 1 1 A 69 69 LEU C C 69 177.830 178.356 -0.526 1
1 739 . 15 1 1 A 69 69 LEU CA C 69 58.843 58.081 0.762 1
1 740 . 15 1 1 A 69 69 LEU CB C 69 42.203 41.599 0.604 1
1 744 . 15 1 1 A 69 69 LEU N N 69 122.181 120.711 1.470 1
1 745 . 15 1 1 A 70 70 VAL H H 70 8.167 8.195 -0.028 1
1 746 . 15 1 1 A 70 70 VAL HA H 70 3.509 3.526 -0.017 1
1 754 . 15 1 1 A 70 70 VAL C C 70 177.695 178.058 -0.363 1
1 755 . 15 1 1 A 70 70 VAL CA C 70 65.582 67.067 -1.485 1
1 756 . 15 1 1 A 70 70 VAL CB C 70 31.409 31.363 0.046 1
1 759 . 15 1 1 A 70 70 VAL N N 70 116.117 119.160 -3.043 1
1 760 . 15 1 1 A 71 71 LYS H H 71 7.665 8.142 -0.477 1
1 761 . 15 1 1 A 71 71 LYS HA H 71 3.854 4.103 -0.249 1
1 770 . 15 1 1 A 71 71 LYS C C 71 177.406 178.391 -0.985 1
1 771 . 15 1 1 A 71 71 LYS CA C 71 59.175 58.747 0.428 1
1 772 . 15 1 1 A 71 71 LYS CB C 71 32.804 31.546 1.258 1
1 776 . 15 1 1 A 71 71 LYS N N 71 116.326 119.912 -3.586 1
1 777 . 15 1 1 A 72 72 ALA H H 72 7.506 7.525 -0.019 1
1 778 . 15 1 1 A 72 72 ALA HA H 72 4.391 4.194 0.197 1
1 782 . 15 1 1 A 72 72 ALA C C 72 180.756 178.235 2.521 1
1 783 . 15 1 1 A 72 72 ALA CA C 72 53.691 54.077 -0.386 1
1 784 . 15 1 1 A 72 72 ALA CB C 72 20.243 18.693 1.550 1
1 785 . 15 1 1 A 72 72 ALA N N 72 118.313 121.086 -2.773 1
1 786 . 15 1 1 A 73 73 ARG H H 73 7.603 7.308 0.295 1
1 787 . 15 1 1 A 73 73 ARG HA H 73 4.872 4.573 0.299 1
1 795 . 15 1 1 A 73 73 ARG C C 73 177.558 176.565 0.993 1
1 796 . 15 1 1 A 73 73 ARG CA C 73 51.230 54.758 -3.528 1
1 797 . 15 1 1 A 73 73 ARG CB C 73 25.568 28.464 -2.896 1
1 800 . 15 1 1 A 73 73 ARG N N 73 118.690 117.087 1.603 1
1 802 . 15 1 1 A 74 74 THR H H 74 8.261 7.985 0.276 1
1 803 . 15 1 1 A 74 74 THR HA H 74 4.552 4.449 0.103 1
1 808 . 15 1 1 A 74 74 THR C C 74 174.706 176.049 -1.343 1
1 809 . 15 1 1 A 74 74 THR CA C 74 62.876 65.274 -2.398 1
1 810 . 15 1 1 A 74 74 THR CB C 74 68.716 68.243 0.473 1
1 812 . 15 1 1 A 74 74 THR N N 74 115.950 113.291 2.659 1
1 813 . 15 1 1 A 75 75 ASP H H 75 9.542 8.211 1.331 1
1 814 . 15 1 1 A 75 75 ASP HA H 75 4.310 4.371 -0.061 1
1 817 . 15 1 1 A 75 75 ASP C C 75 175.958 177.340 -1.382 1
1 818 . 15 1 1 A 75 75 ASP CA C 75 54.476 57.266 -2.790 1
1 819 . 15 1 1 A 75 75 ASP CB C 75 38.969 41.915 -2.946 1
1 820 . 15 1 1 A 75 75 ASP N N 75 116.582 121.439 -4.857 1
1 821 . 15 1 1 A 76 76 LEU H H 76 7.078 7.412 -0.334 1
1 822 . 15 1 1 A 76 76 LEU HA H 76 4.225 3.994 0.231 1
1 832 . 15 1 1 A 76 76 LEU C C 76 177.244 175.913 1.331 1
1 833 . 15 1 1 A 76 76 LEU CA C 76 55.349 55.860 -0.511 1
1 834 . 15 1 1 A 76 76 LEU CB C 76 43.508 43.196 0.312 1
1 838 . 15 1 1 A 76 76 LEU N N 76 117.639 117.374 0.265 1
1 839 . 15 1 1 A 77 77 PHE H H 77 7.977 7.728 0.249 1
1 840 . 15 1 1 A 77 77 PHE HA H 77 5.648 5.109 0.539 1
1 848 . 15 1 1 A 77 77 PHE C C 77 175.868 174.899 0.969 1
1 849 . 15 1 1 A 77 77 PHE CA C 77 54.878 56.286 -1.408 1
1 850 . 15 1 1 A 77 77 PHE CB C 77 42.833 42.076 0.757 1
1 856 . 15 1 1 A 77 77 PHE N N 77 115.989 115.311 0.678 1
1 857 . 15 1 1 A 78 78 VAL H H 78 8.863 9.178 -0.315 1
1 858 . 15 1 1 A 78 78 VAL HA H 78 4.425 4.498 -0.073 1
1 866 . 15 1 1 A 78 78 VAL C C 78 175.288 175.730 -0.442 1
1 867 . 15 1 1 A 78 78 VAL CA C 78 61.575 62.523 -0.948 1
1 868 . 15 1 1 A 78 78 VAL CB C 78 33.988 31.784 2.204 1
1 871 . 15 1 1 A 78 78 VAL N N 78 123.339 123.726 -0.387 1
1 872 . 15 1 1 A 79 79 THR H H 79 8.305 9.049 -0.744 1
1 873 . 15 1 1 A 79 79 THR HA H 79 5.882 5.559 0.323 1
1 878 . 15 1 1 A 79 79 THR C C 79 174.566 173.832 0.734 1
1 879 . 15 1 1 A 79 79 THR CA C 79 59.476 60.615 -1.139 1
1 880 . 15 1 1 A 79 79 THR CB C 79 73.090 70.919 2.171 1
1 882 . 15 1 1 A 79 79 THR N N 79 113.057 119.646 -6.589 1
1 883 . 15 1 1 A 80 80 GLU H H 80 8.962 8.834 0.128 1
1 884 . 15 1 1 A 80 80 GLU HA H 80 4.589 4.893 -0.304 1
1 889 . 15 1 1 A 80 80 GLU C C 80 174.040 175.577 -1.537 1
1 890 . 15 1 1 A 80 80 GLU CA C 80 55.878 55.209 0.669 1
1 891 . 15 1 1 A 80 80 GLU CB C 80 33.399 33.324 0.075 1
1 893 . 15 1 1 A 80 80 GLU N N 80 117.934 122.538 -4.604 1
1 894 . 15 1 1 A 81 81 GLU H H 81 8.687 8.817 -0.130 1
1 895 . 15 1 1 A 81 81 GLU HA H 81 5.213 4.979 0.234 1
1 900 . 15 1 1 A 81 81 GLU C C 81 176.406 175.861 0.545 1
1 901 . 15 1 1 A 81 81 GLU CA C 81 55.186 56.283 -1.097 1
1 902 . 15 1 1 A 81 81 GLU CB C 81 31.544 30.695 0.849 1
1 904 . 15 1 1 A 81 81 GLU N N 81 122.400 123.600 -1.200 1
1 905 . 15 1 1 A 82 82 ARG H H 82 9.118 9.142 -0.024 1
1 906 . 15 1 1 A 82 82 ARG HA H 82 4.635 4.791 -0.156 1
1 914 . 15 1 1 A 82 82 ARG C C 82 175.222 174.742 0.480 1
1 915 . 15 1 1 A 82 82 ARG CA C 82 54.746 54.337 0.409 1
1 916 . 15 1 1 A 82 82 ARG CB C 82 33.719 32.545 1.174 1
1 919 . 15 1 1 A 82 82 ARG N N 82 121.851 124.129 -2.278 1
1 921 . 15 1 1 A 83 83 GLN H H 83 8.642 8.506 0.136 1
1 922 . 15 1 1 A 83 83 GLN HA H 83 4.340 4.590 -0.250 1
1 927 . 15 1 1 A 83 83 GLN C C 83 175.705 175.582 0.123 1
1 928 . 15 1 1 A 83 83 GLN CA C 83 56.094 55.764 0.330 1
1 929 . 15 1 1 A 83 83 GLN CB C 83 29.424 29.833 -0.409 1
1 931 . 15 1 1 A 83 83 GLN N N 83 121.976 122.301 -0.325 1
1 932 . 15 1 1 A 84 84 VAL H H 84 8.818 8.229 0.589 1
1 933 . 15 1 1 A 84 84 VAL HA H 84 4.399 4.509 -0.110 1
1 941 . 15 1 1 A 84 84 VAL C C 84 174.439 175.011 -0.572 1
1 942 . 15 1 1 A 84 84 VAL CA C 84 59.977 59.393 0.584 1
1 943 . 15 1 1 A 84 84 VAL CB C 84 32.948 32.133 0.815 1
1 946 . 15 1 1 A 84 84 VAL N N 84 128.548 126.214 2.334 1
1 947 . 15 1 1 A 85 85 PRO HA H 85 4.313 4.252 0.061 1
1 954 . 15 1 1 A 85 85 PRO C C 85 178.026 177.476 0.550 1
1 955 . 15 1 1 A 85 85 PRO CA C 85 64.139 64.053 0.086 1
1 956 . 15 1 1 A 85 85 PRO CB C 85 31.744 31.523 0.221 1
1 959 . 15 1 1 A 86 86 GLY H H 86 8.815 8.800 0.015 1
1 960 . 15 1 1 A 86 86 GLY HA2 H 86 3.751 3.879 -0.128 1
1 961 . 15 1 1 A 86 86 GLY HA3 H 86 4.148 3.882 0.266 1
1 962 . 15 1 1 A 86 86 GLY C C 86 173.673 173.371 0.302 1
1 963 . 15 1 1 A 86 86 GLY CA C 86 45.661 45.206 0.455 1
1 964 . 15 1 1 A 86 86 GLY N N 86 111.839 113.359 -1.520 1
1 965 . 15 1 1 A 87 87 SER H H 87 8.029 7.757 0.272 1
1 966 . 15 1 1 A 87 87 SER HA H 87 4.955 4.882 0.073 1
1 969 . 15 1 1 A 87 87 SER C C 87 174.293 174.232 0.061 1
1 970 . 15 1 1 A 87 87 SER CA C 87 56.119 57.515 -1.396 1
1 971 . 15 1 1 A 87 87 SER CB C 87 65.288 65.643 -0.355 1
1 972 . 15 1 1 A 87 87 SER N N 87 114.255 115.800 -1.545 1
1 973 . 15 1 1 A 88 88 THR H H 88 8.366 8.415 -0.049 1
1 974 . 15 1 1 A 88 88 THR HA H 88 4.438 4.305 0.133 1
1 979 . 15 1 1 A 88 88 THR C C 88 175.360 174.356 1.004 1
1 980 . 15 1 1 A 88 88 THR CA C 88 62.103 63.597 -1.494 1
1 981 . 15 1 1 A 88 88 THR CB C 88 69.017 69.628 -0.611 1
1 983 . 15 1 1 A 88 88 THR N N 88 112.921 119.645 -6.724 1
1 984 . 15 1 1 A 89 89 GLN H H 89 8.342 7.553 0.789 1
1 985 . 15 1 1 A 89 89 GLN HA H 89 4.382 4.438 -0.056 1
1 990 . 15 1 1 A 89 89 GLN C C 89 175.462 175.835 -0.373 1
1 991 . 15 1 1 A 89 89 GLN CA C 89 55.599 55.360 0.239 1
1 992 . 15 1 1 A 89 89 GLN CB C 89 30.016 30.165 -0.149 1
1 994 . 15 1 1 A 89 89 GLN N N 89 122.086 117.421 4.665 1
1 995 . 15 1 1 A 90 90 LYS H H 90 8.584 8.848 -0.264 1
1 996 . 15 1 1 A 90 90 LYS HA H 90 4.779 5.073 -0.294 1
1 1005 . 15 1 1 A 90 90 LYS C C 90 175.897 174.969 0.928 1
1 1006 . 15 1 1 A 90 90 LYS CA C 90 55.590 54.575 1.015 1
1 1007 . 15 1 1 A 90 90 LYS CB C 90 34.742 35.358 -0.616 1
1 1011 . 15 1 1 A 90 90 LYS N N 90 121.945 119.175 2.770 1
1 1012 . 15 1 1 A 91 91 ALA H H 91 8.975 9.238 -0.263 1
1 1013 . 15 1 1 A 91 91 ALA HA H 91 4.738 5.215 -0.477 1
1 1017 . 15 1 1 A 91 91 ALA C C 91 175.585 175.016 0.569 1
1 1018 . 15 1 1 A 91 91 ALA CA C 91 50.741 50.110 0.631 1
1 1019 . 15 1 1 A 91 91 ALA CB C 91 22.890 23.020 -0.130 1
1 1020 . 15 1 1 A 91 91 ALA N N 91 124.604 121.907 2.697 1
1 1021 . 15 1 1 A 92 92 LEU H H 92 8.523 8.481 0.042 1
1 1022 . 15 1 1 A 92 92 LEU HA H 92 4.707 4.728 -0.021 1
1 1032 . 15 1 1 A 92 92 LEU C C 92 174.752 174.147 0.605 1
1 1033 . 15 1 1 A 92 92 LEU CA C 92 55.285 54.103 1.182 1
1 1034 . 15 1 1 A 92 92 LEU CB C 92 43.267 42.955 0.312 1
1 1038 . 15 1 1 A 92 92 LEU N N 92 123.888 124.055 -0.167 1
1 1039 . 15 1 1 A 93 93 TYR H H 93 9.289 9.327 -0.038 1
1 1040 . 15 1 1 A 93 93 TYR HA H 93 5.269 5.194 0.075 1
1 1047 . 15 1 1 A 93 93 TYR C C 93 174.528 175.751 -1.223 1
1 1048 . 15 1 1 A 93 93 TYR CA C 93 56.505 57.131 -0.626 1
1 1049 . 15 1 1 A 93 93 TYR CB C 93 41.881 40.931 0.950 1
1 1054 . 15 1 1 A 93 93 TYR N N 93 126.872 127.657 -0.785 1
1 1055 . 15 1 1 A 94 94 LEU H H 94 9.551 9.206 0.345 1
1 1056 . 15 1 1 A 94 94 LEU HA H 94 5.869 5.555 0.314 1
1 1066 . 15 1 1 A 94 94 LEU C C 94 173.433 175.150 -1.717 1
1 1067 . 15 1 1 A 94 94 LEU CA C 94 54.131 53.586 0.545 1
1 1068 . 15 1 1 A 94 94 LEU CB C 94 46.320 45.856 0.464 1
1 1072 . 15 1 1 A 94 94 LEU N N 94 117.884 123.298 -5.414 1
1 1073 . 15 1 1 A 95 95 ARG H H 95 8.603 8.738 -0.135 1
1 1074 . 15 1 1 A 95 95 ARG HA H 95 4.707 4.889 -0.182 1
1 1082 . 15 1 1 A 95 95 ARG C C 95 174.605 174.728 -0.123 1
1 1083 . 15 1 1 A 95 95 ARG CA C 95 53.795 54.160 -0.365 1
1 1084 . 15 1 1 A 95 95 ARG CB C 95 33.468 33.522 -0.054 1
1 1087 . 15 1 1 A 95 95 ARG N N 95 116.939 119.977 -3.038 1
1 1089 . 15 1 1 A 96 96 ALA H H 96 9.072 8.563 0.509 1
1 1090 . 15 1 1 A 96 96 ALA HA H 96 4.404 4.411 -0.007 1
1 1094 . 15 1 1 A 96 96 ALA C C 96 177.811 176.972 0.839 1
1 1095 . 15 1 1 A 96 96 ALA CA C 96 52.324 52.548 -0.224 1
1 1096 . 15 1 1 A 96 96 ALA CB C 96 18.248 19.216 -0.968 1
1 1097 . 15 1 1 A 96 96 ALA N N 96 124.914 124.248 0.666 1
1 1098 . 15 1 1 A 97 97 LYS H H 97 7.989 8.344 -0.355 1
1 1099 . 15 1 1 A 97 97 LYS HA H 97 3.922 4.511 -0.589 1
1 1108 . 15 1 1 A 97 97 LYS C C 97 175.978 175.394 0.584 1
1 1109 . 15 1 1 A 97 97 LYS CA C 97 56.915 56.366 0.549 1
1 1110 . 15 1 1 A 97 97 LYS CB C 97 32.864 32.937 -0.073 1
1 1114 . 15 1 1 A 97 97 LYS N N 97 123.129 123.653 -0.524 1
1 1115 . 15 1 1 A 98 98 LEU H H 98 8.118 9.007 -0.889 1
1 1116 . 15 1 1 A 98 98 LEU HA H 98 4.321 5.168 -0.847 1
1 1126 . 15 1 1 A 98 98 LEU C C 98 176.592 176.043 0.549 1
1 1127 . 15 1 1 A 98 98 LEU CA C 98 54.627 53.513 1.114 1
1 1128 . 15 1 1 A 98 98 LEU CB C 98 42.566 43.667 -1.101 1
1 1132 . 15 1 1 A 98 98 LEU N N 98 123.816 129.718 -5.902 1
1 1133 . 15 1 1 A 99 99 GLU H H 99 8.376 8.624 -0.248 1
1 1134 . 15 1 1 A 99 99 GLU C C 99 175.790 174.458 1.332 1
1 1 . 16 1 1 A 5 5 SER H H 5 8.350 8.612 -0.262 1
1 2 . 16 1 1 A 5 5 SER N N 5 116.816 121.770 -4.954 1
1 3 . 16 1 1 A 9 9 GLN H H 9 8.479 7.942 0.537 1
1 4 . 16 1 1 A 9 9 GLN N N 9 121.973 115.993 5.980 1
1 5 . 16 1 1 A 10 10 PRO HA H 10 4.392 4.555 -0.163 1
1 8 . 16 1 1 A 10 10 PRO C C 10 176.702 176.004 0.698 1
1 9 . 16 1 1 A 10 10 PRO CA C 10 63.029 62.383 0.646 1
1 10 . 16 1 1 A 10 10 PRO CB C 10 32.056 32.645 -0.589 1
1 11 . 16 1 1 A 11 11 ALA H H 11 8.421 8.348 0.073 1
1 12 . 16 1 1 A 11 11 ALA HA H 11 4.254 4.335 -0.081 1
1 16 . 16 1 1 A 11 11 ALA C C 11 177.592 179.074 -1.482 1
1 17 . 16 1 1 A 11 11 ALA CA C 11 52.405 52.417 -0.012 1
1 18 . 16 1 1 A 11 11 ALA CB C 11 19.242 18.917 0.325 1
1 19 . 16 1 1 A 11 11 ALA N N 11 124.566 124.231 0.335 1
1 20 . 16 1 1 A 12 12 ALA H H 12 8.297 8.803 -0.506 1
1 21 . 16 1 1 A 12 12 ALA HA H 12 4.278 4.524 -0.246 1
1 25 . 16 1 1 A 12 12 ALA C C 12 177.607 175.968 1.639 1
1 26 . 16 1 1 A 12 12 ALA CA C 12 52.402 51.993 0.409 1
1 27 . 16 1 1 A 12 12 ALA CB C 12 19.397 19.139 0.258 1
1 28 . 16 1 1 A 12 12 ALA N N 12 123.470 126.149 -2.679 1
1 29 . 16 1 1 A 13 13 GLN H H 13 8.302 7.729 0.573 1
1 30 . 16 1 1 A 13 13 GLN HA H 13 4.304 4.866 -0.562 1
1 33 . 16 1 1 A 13 13 GLN C C 13 175.344 174.302 1.042 1
1 34 . 16 1 1 A 13 13 GLN CA C 13 55.396 54.570 0.826 1
1 35 . 16 1 1 A 13 13 GLN CB C 13 29.738 31.776 -2.038 1
1 36 . 16 1 1 A 13 13 GLN N N 13 119.718 115.826 3.892 1
1 37 . 16 1 1 A 14 14 ALA H H 14 8.405 8.613 -0.208 1
1 38 . 16 1 1 A 14 14 ALA HA H 14 4.580 4.737 -0.157 1
1 42 . 16 1 1 A 14 14 ALA C C 14 175.619 175.729 -0.110 1
1 43 . 16 1 1 A 14 14 ALA CA C 14 50.607 48.880 1.727 1
1 44 . 16 1 1 A 14 14 ALA CB C 14 18.031 20.333 -2.302 1
1 45 . 16 1 1 A 14 14 ALA N N 14 127.291 125.472 1.819 1
1 46 . 16 1 1 A 15 15 PRO HA H 15 4.399 4.438 -0.039 1
1 49 . 16 1 1 A 15 15 PRO C C 15 177.086 175.735 1.351 1
1 50 . 16 1 1 A 15 15 PRO CA C 15 63.294 63.405 -0.111 1
1 51 . 16 1 1 A 15 15 PRO CB C 15 31.988 31.872 0.116 1
1 52 . 16 1 1 A 16 16 GLU H H 16 8.656 8.699 -0.043 1
1 53 . 16 1 1 A 16 16 GLU HA H 16 4.306 4.674 -0.368 1
1 56 . 16 1 1 A 16 16 GLU C C 16 176.897 174.913 1.984 1
1 57 . 16 1 1 A 16 16 GLU CA C 16 56.771 55.562 1.209 1
1 58 . 16 1 1 A 16 16 GLU CB C 16 30.209 32.699 -2.490 1
1 59 . 16 1 1 A 16 16 GLU N N 16 120.957 122.939 -1.982 1
1 60 . 16 1 1 A 17 17 THR H H 17 8.202 8.869 -0.667 1
1 61 . 16 1 1 A 17 17 THR HA H 17 4.336 4.919 -0.583 1
1 66 . 16 1 1 A 17 17 THR C C 17 174.612 172.618 1.994 1
1 67 . 16 1 1 A 17 17 THR CA C 17 61.981 61.842 0.139 1
1 68 . 16 1 1 A 17 17 THR CB C 17 69.928 69.932 -0.004 1
1 70 . 16 1 1 A 17 17 THR N N 17 115.763 123.727 -7.964 1
1 71 . 16 1 1 A 18 18 LYS H H 18 8.373 9.116 -0.743 1
1 72 . 16 1 1 A 18 18 LYS HA H 18 4.365 5.091 -0.726 1
1 81 . 16 1 1 A 18 18 LYS C C 18 176.509 175.331 1.178 1
1 82 . 16 1 1 A 18 18 LYS CA C 18 56.348 54.309 2.039 1
1 83 . 16 1 1 A 18 18 LYS CB C 18 33.051 35.903 -2.852 1
1 87 . 16 1 1 A 18 18 LYS N N 18 123.975 128.409 -4.434 1
1 88 . 16 1 1 A 19 19 GLN H H 19 8.387 8.574 -0.187 1
1 89 . 16 1 1 A 19 19 GLN HA H 19 4.378 4.848 -0.470 1
1 96 . 16 1 1 A 19 19 GLN C C 19 175.630 174.807 0.823 1
1 97 . 16 1 1 A 19 19 GLN CA C 19 55.614 54.363 1.251 1
1 98 . 16 1 1 A 19 19 GLN CB C 19 29.749 30.553 -0.804 1
1 100 . 16 1 1 A 19 19 GLN N N 19 121.480 125.006 -3.526 1
1 102 . 16 1 1 A 20 20 ALA H H 20 8.505 8.783 -0.278 1
1 103 . 16 1 1 A 20 20 ALA HA H 20 4.449 5.310 -0.861 1
1 107 . 16 1 1 A 20 20 ALA C C 20 177.361 176.104 1.257 1
1 108 . 16 1 1 A 20 20 ALA CA C 20 52.165 50.255 1.910 1
1 109 . 16 1 1 A 20 20 ALA CB C 20 19.253 21.358 -2.105 1
1 110 . 16 1 1 A 20 20 ALA N N 20 125.974 121.999 3.975 1
1 111 . 16 1 1 A 21 21 PHE H H 21 8.851 9.122 -0.271 1
1 112 . 16 1 1 A 21 21 PHE HA H 21 4.422 4.939 -0.517 1
1 120 . 16 1 1 A 21 21 PHE C C 21 176.063 174.769 1.294 1
1 121 . 16 1 1 A 21 21 PHE CA C 21 56.142 56.727 -0.585 1
1 122 . 16 1 1 A 21 21 PHE CB C 21 39.867 38.745 1.122 1
1 128 . 16 1 1 A 21 21 PHE N N 21 124.486 122.406 2.080 1
1 129 . 16 1 1 A 22 22 PRO HA H 22 4.856 4.877 -0.021 1
1 136 . 16 1 1 A 22 22 PRO C C 22 174.848 177.271 -2.423 1
1 137 . 16 1 1 A 22 22 PRO CA C 22 62.078 62.467 -0.389 1
1 138 . 16 1 1 A 22 22 PRO CB C 22 28.563 30.924 -2.361 1
1 141 . 16 1 1 A 23 23 ARG H H 23 8.356 8.632 -0.276 1
1 142 . 16 1 1 A 23 23 ARG HA H 23 3.650 4.019 -0.369 1
1 149 . 16 1 1 A 23 23 ARG C C 23 176.762 178.612 -1.850 1
1 150 . 16 1 1 A 23 23 ARG CA C 23 60.448 58.623 1.825 1
1 151 . 16 1 1 A 23 23 ARG CB C 23 31.422 29.802 1.620 1
1 154 . 16 1 1 A 23 23 ARG N N 23 126.815 123.995 2.820 1
1 155 . 16 1 1 A 24 24 LYS H H 24 8.555 7.920 0.635 1
1 156 . 16 1 1 A 24 24 LYS HA H 24 3.926 3.949 -0.023 1
1 165 . 16 1 1 A 24 24 LYS C C 24 179.506 179.595 -0.089 1
1 166 . 16 1 1 A 24 24 LYS CA C 24 59.888 59.312 0.576 1
1 167 . 16 1 1 A 24 24 LYS CB C 24 31.782 31.996 -0.214 1
1 171 . 16 1 1 A 24 24 LYS N N 24 116.573 119.478 -2.905 1
1 172 . 16 1 1 A 25 25 PHE H H 25 7.575 8.199 -0.624 1
1 173 . 16 1 1 A 25 25 PHE HA H 25 4.487 4.318 0.169 1
1 181 . 16 1 1 A 25 25 PHE C C 25 177.447 178.344 -0.897 1
1 182 . 16 1 1 A 25 25 PHE CA C 25 59.779 60.562 -0.783 1
1 183 . 16 1 1 A 25 25 PHE CB C 25 38.791 38.235 0.556 1
1 189 . 16 1 1 A 25 25 PHE N N 25 118.123 118.591 -0.468 1
1 190 . 16 1 1 A 26 26 VAL H H 26 8.024 8.452 -0.428 1
1 191 . 16 1 1 A 26 26 VAL HA H 26 3.608 3.615 -0.007 1
1 199 . 16 1 1 A 26 26 VAL C C 26 177.770 178.371 -0.601 1
1 200 . 16 1 1 A 26 26 VAL CA C 26 66.473 66.915 -0.442 1
1 201 . 16 1 1 A 26 26 VAL CB C 26 31.408 31.545 -0.137 1
1 204 . 16 1 1 A 26 26 VAL N N 26 117.081 119.405 -2.324 1
1 205 . 16 1 1 A 27 27 LEU H H 27 8.220 8.639 -0.419 1
1 206 . 16 1 1 A 27 27 LEU HA H 27 4.234 4.226 0.008 1
1 216 . 16 1 1 A 27 27 LEU C C 27 180.010 179.586 0.424 1
1 217 . 16 1 1 A 27 27 LEU CA C 27 57.864 57.802 0.062 1
1 218 . 16 1 1 A 27 27 LEU CB C 27 40.488 40.607 -0.119 1
1 222 . 16 1 1 A 27 27 LEU N N 27 118.748 118.245 0.503 1
1 223 . 16 1 1 A 28 28 ALA H H 28 8.014 8.378 -0.364 1
1 224 . 16 1 1 A 28 28 ALA HA H 28 4.289 4.121 0.168 1
1 228 . 16 1 1 A 28 28 ALA C C 28 179.951 179.585 0.366 1
1 229 . 16 1 1 A 28 28 ALA CA C 28 55.110 55.437 -0.327 1
1 230 . 16 1 1 A 28 28 ALA CB C 28 17.970 17.861 0.109 1
1 231 . 16 1 1 A 28 28 ALA N N 28 124.088 121.813 2.275 1
1 232 . 16 1 1 A 29 29 ALA H H 29 8.259 7.932 0.327 1
1 233 . 16 1 1 A 29 29 ALA HA H 29 3.942 4.521 -0.579 1
1 237 . 16 1 1 A 29 29 ALA C C 29 180.505 180.410 0.095 1
1 238 . 16 1 1 A 29 29 ALA CA C 29 54.976 55.187 -0.211 1
1 239 . 16 1 1 A 29 29 ALA CB C 29 17.923 18.315 -0.392 1
1 240 . 16 1 1 A 29 29 ALA N N 29 120.431 121.217 -0.786 1
1 241 . 16 1 1 A 30 30 LEU H H 30 8.098 8.305 -0.207 1
1 242 . 16 1 1 A 30 30 LEU HA H 30 4.007 4.383 -0.376 1
1 252 . 16 1 1 A 30 30 LEU C C 30 178.315 178.383 -0.068 1
1 253 . 16 1 1 A 30 30 LEU CA C 30 58.096 58.532 -0.436 1
1 254 . 16 1 1 A 30 30 LEU CB C 30 41.486 41.908 -0.422 1
1 258 . 16 1 1 A 30 30 LEU N N 30 120.849 119.923 0.926 1
1 259 . 16 1 1 A 31 31 GLU H H 31 8.115 8.842 -0.727 1
1 260 . 16 1 1 A 31 31 GLU HA H 31 3.967 4.055 -0.088 1
1 265 . 16 1 1 A 31 31 GLU C C 31 179.473 178.057 1.416 1
1 266 . 16 1 1 A 31 31 GLU CA C 31 59.683 59.219 0.464 1
1 267 . 16 1 1 A 31 31 GLU CB C 31 29.402 29.124 0.278 1
1 269 . 16 1 1 A 31 31 GLU N N 31 120.752 117.461 3.291 1
1 270 . 16 1 1 A 32 32 GLN H H 32 7.812 7.592 0.220 1
1 271 . 16 1 1 A 32 32 GLN HA H 32 4.001 4.097 -0.096 1
1 278 . 16 1 1 A 32 32 GLN C C 32 176.519 176.798 -0.279 1
1 279 . 16 1 1 A 32 32 GLN CA C 32 57.576 58.011 -0.435 1
1 280 . 16 1 1 A 32 32 GLN CB C 32 29.108 28.253 0.855 1
1 282 . 16 1 1 A 32 32 GLN N N 32 114.711 119.134 -4.423 1
1 284 . 16 1 1 A 33 33 SER H H 33 7.460 7.688 -0.228 1
1 285 . 16 1 1 A 33 33 SER HA H 33 4.257 4.369 -0.112 1
1 288 . 16 1 1 A 33 33 SER C C 33 174.508 174.450 0.058 1
1 289 . 16 1 1 A 33 33 SER CA C 33 58.504 59.358 -0.854 1
1 290 . 16 1 1 A 33 33 SER CB C 33 65.131 64.198 0.933 1
1 291 . 16 1 1 A 33 33 SER N N 33 110.604 114.930 -4.326 1
1 292 . 16 1 1 A 34 34 SER H H 34 7.429 7.744 -0.315 1
1 293 . 16 1 1 A 34 34 SER HA H 34 4.468 4.506 -0.038 1
1 296 . 16 1 1 A 34 34 SER C C 34 174.588 174.493 0.095 1
1 297 . 16 1 1 A 34 34 SER CA C 34 58.556 59.188 -0.632 1
1 298 . 16 1 1 A 34 34 SER CB C 34 65.278 63.929 1.349 1
1 299 . 16 1 1 A 34 34 SER N N 34 117.544 117.229 0.315 1
1 300 . 16 1 1 A 35 35 ASP H H 35 8.822 9.057 -0.235 1
1 301 . 16 1 1 A 35 35 ASP HA H 35 4.778 4.798 -0.020 1
1 304 . 16 1 1 A 35 35 ASP C C 35 178.268 177.375 0.893 1
1 305 . 16 1 1 A 35 35 ASP CA C 35 52.849 54.081 -1.232 1
1 306 . 16 1 1 A 35 35 ASP CB C 35 41.314 41.941 -0.627 1
1 307 . 16 1 1 A 35 35 ASP N N 35 121.575 123.433 -1.858 1
1 308 . 16 1 1 A 36 36 ASP H H 36 8.483 8.960 -0.477 1
1 309 . 16 1 1 A 36 36 ASP HA H 36 4.414 4.275 0.139 1
1 312 . 16 1 1 A 36 36 ASP C C 36 176.670 177.149 -0.479 1
1 313 . 16 1 1 A 36 36 ASP CA C 36 56.605 57.325 -0.720 1
1 314 . 16 1 1 A 36 36 ASP CB C 36 40.286 40.404 -0.118 1
1 315 . 16 1 1 A 36 36 ASP N N 36 117.398 122.574 -5.176 1
1 316 . 16 1 1 A 37 37 ALA H H 37 8.242 7.593 0.649 1
1 317 . 16 1 1 A 37 37 ALA HA H 37 4.532 4.387 0.145 1
1 321 . 16 1 1 A 37 37 ALA C C 37 177.407 178.133 -0.726 1
1 322 . 16 1 1 A 37 37 ALA CA C 37 51.677 52.017 -0.340 1
1 323 . 16 1 1 A 37 37 ALA CB C 37 19.774 19.211 0.563 1
1 324 . 16 1 1 A 37 37 ALA N N 37 122.052 118.593 3.459 1
1 325 . 16 1 1 A 38 38 GLY H H 38 8.155 8.145 0.010 1
1 326 . 16 1 1 A 38 38 GLY HA2 H 38 3.624 3.767 -0.143 1
1 327 . 16 1 1 A 38 38 GLY HA3 H 38 4.080 3.863 0.217 1
1 328 . 16 1 1 A 38 38 GLY C C 38 173.417 173.959 -0.542 1
1 329 . 16 1 1 A 38 38 GLY CA C 38 45.093 45.630 -0.537 1
1 330 . 16 1 1 A 38 38 GLY N N 38 107.721 107.879 -0.158 1
1 331 . 16 1 1 A 39 39 TRP H H 39 8.449 7.950 0.499 1
1 332 . 16 1 1 A 39 39 TRP HA H 39 5.054 4.719 0.335 1
1 341 . 16 1 1 A 39 39 TRP C C 39 176.577 176.227 0.350 1
1 342 . 16 1 1 A 39 39 TRP CA C 39 56.596 58.061 -1.465 1
1 343 . 16 1 1 A 39 39 TRP CB C 39 32.184 30.241 1.943 1
1 349 . 16 1 1 A 39 39 TRP N N 39 119.797 120.999 -1.202 1
1 351 . 16 1 1 A 40 40 ALA H H 40 9.855 9.205 0.650 1
1 352 . 16 1 1 A 40 40 ALA HA H 40 5.099 5.230 -0.131 1
1 356 . 16 1 1 A 40 40 ALA C C 40 176.165 176.414 -0.249 1
1 357 . 16 1 1 A 40 40 ALA CA C 40 50.202 50.251 -0.049 1
1 358 . 16 1 1 A 40 40 ALA CB C 40 23.153 21.786 1.367 1
1 359 . 16 1 1 A 40 40 ALA N N 40 124.618 126.152 -1.534 1
1 360 . 16 1 1 A 41 41 ASN H H 41 8.794 8.616 0.178 1
1 361 . 16 1 1 A 41 41 ASN HA H 41 3.771 4.143 -0.372 1
1 366 . 16 1 1 A 41 41 ASN C C 41 175.824 176.396 -0.572 1
1 367 . 16 1 1 A 41 41 ASN CA C 41 52.724 53.099 -0.375 1
1 368 . 16 1 1 A 41 41 ASN CB C 41 39.927 39.856 0.071 1
1 369 . 16 1 1 A 41 41 ASN N N 41 121.050 121.700 -0.650 1
1 371 . 16 1 1 A 42 42 LEU H H 42 8.493 8.582 -0.089 1
1 372 . 16 1 1 A 42 42 LEU HA H 42 3.834 4.030 -0.196 1
1 382 . 16 1 1 A 42 42 LEU C C 42 178.256 179.150 -0.894 1
1 383 . 16 1 1 A 42 42 LEU CA C 42 58.859 58.204 0.655 1
1 384 . 16 1 1 A 42 42 LEU CB C 42 42.233 41.649 0.584 1
1 388 . 16 1 1 A 42 42 LEU N N 42 126.418 129.361 -2.943 1
1 389 . 16 1 1 A 43 43 GLY H H 43 8.440 8.129 0.311 1
1 390 . 16 1 1 A 43 43 GLY HA2 H 43 3.912 3.764 0.148 1
1 391 . 16 1 1 A 43 43 GLY HA3 H 43 3.822 3.784 0.038 1
1 392 . 16 1 1 A 43 43 GLY C C 43 176.344 176.479 -0.135 1
1 393 . 16 1 1 A 43 43 GLY CA C 43 47.070 47.390 -0.320 1
1 394 . 16 1 1 A 43 43 GLY N N 43 106.800 106.751 0.049 1
1 395 . 16 1 1 A 44 44 ASN H H 44 7.916 7.792 0.124 1
1 396 . 16 1 1 A 44 44 ASN HA H 44 4.472 4.498 -0.026 1
1 401 . 16 1 1 A 44 44 ASN C C 44 177.888 177.716 0.172 1
1 402 . 16 1 1 A 44 44 ASN CA C 44 56.004 55.845 0.159 1
1 403 . 16 1 1 A 44 44 ASN CB C 44 38.316 38.269 0.047 1
1 404 . 16 1 1 A 44 44 ASN N N 44 121.472 120.454 1.018 1
1 406 . 16 1 1 A 45 45 PHE H H 45 8.563 8.221 0.342 1
1 407 . 16 1 1 A 45 45 PHE HA H 45 4.498 4.226 0.272 1
1 415 . 16 1 1 A 45 45 PHE C C 45 176.732 178.004 -1.272 1
1 416 . 16 1 1 A 45 45 PHE CA C 45 60.350 60.853 -0.503 1
1 417 . 16 1 1 A 45 45 PHE CB C 45 38.824 39.434 -0.610 1
1 423 . 16 1 1 A 45 45 PHE N N 45 121.835 121.923 -0.088 1
1 424 . 16 1 1 A 46 46 GLY H H 46 8.933 8.840 0.093 1
1 425 . 16 1 1 A 46 46 GLY HA2 H 46 3.820 3.557 0.263 1
1 426 . 16 1 1 A 46 46 GLY HA3 H 46 3.186 3.744 -0.558 1
1 427 . 16 1 1 A 46 46 GLY C C 46 176.053 175.596 0.457 1
1 428 . 16 1 1 A 46 46 GLY CA C 46 47.171 46.952 0.219 1
1 429 . 16 1 1 A 46 46 GLY N N 46 106.269 106.605 -0.336 1
1 430 . 16 1 1 A 47 47 ASN H H 47 7.812 7.672 0.140 1
1 431 . 16 1 1 A 47 47 ASN HA H 47 4.470 4.498 -0.028 1
1 436 . 16 1 1 A 47 47 ASN C C 47 178.087 177.045 1.042 1
1 437 . 16 1 1 A 47 47 ASN CA C 47 55.974 55.948 0.026 1
1 438 . 16 1 1 A 47 47 ASN CB C 47 38.149 38.657 -0.508 1
1 439 . 16 1 1 A 47 47 ASN N N 47 120.030 120.105 -0.075 1
1 441 . 16 1 1 A 48 48 TYR H H 48 8.093 8.202 -0.109 1
1 442 . 16 1 1 A 48 48 TYR HA H 48 4.007 4.148 -0.141 1
1 449 . 16 1 1 A 48 48 TYR C C 48 178.310 177.447 0.863 1
1 450 . 16 1 1 A 48 48 TYR CA C 48 62.527 60.941 1.586 1
1 451 . 16 1 1 A 48 48 TYR CB C 48 38.254 38.822 -0.568 1
1 456 . 16 1 1 A 48 48 TYR N N 48 121.030 120.052 0.978 1
1 457 . 16 1 1 A 49 49 LEU H H 49 8.480 8.238 0.242 1
1 458 . 16 1 1 A 49 49 LEU HA H 49 3.624 3.793 -0.169 1
1 468 . 16 1 1 A 49 49 LEU C C 49 177.653 178.174 -0.521 1
1 469 . 16 1 1 A 49 49 LEU CA C 49 58.321 57.907 0.414 1
1 470 . 16 1 1 A 49 49 LEU CB C 49 41.046 41.037 0.009 1
1 474 . 16 1 1 A 49 49 LEU N N 49 121.024 121.046 -0.022 1
1 475 . 16 1 1 A 50 50 ASN H H 50 7.564 7.675 -0.111 1
1 476 . 16 1 1 A 50 50 ASN HA H 50 4.493 4.513 -0.020 1
1 481 . 16 1 1 A 50 50 ASN C C 50 176.498 177.352 -0.854 1
1 482 . 16 1 1 A 50 50 ASN CA C 50 55.479 55.425 0.054 1
1 483 . 16 1 1 A 50 50 ASN CB C 50 39.302 38.871 0.431 1
1 484 . 16 1 1 A 50 50 ASN N N 50 114.582 115.982 -1.400 1
1 486 . 16 1 1 A 51 51 LYS H H 51 7.370 7.311 0.059 1
1 487 . 16 1 1 A 51 51 LYS HA H 51 3.990 4.004 -0.014 1
1 496 . 16 1 1 A 51 51 LYS C C 51 178.403 178.746 -0.343 1
1 497 . 16 1 1 A 51 51 LYS CA C 51 58.512 58.903 -0.391 1
1 498 . 16 1 1 A 51 51 LYS CB C 51 32.245 32.036 0.209 1
1 502 . 16 1 1 A 51 51 LYS N N 51 118.289 118.743 -0.454 1
1 503 . 16 1 1 A 52 52 LEU H H 52 7.518 7.184 0.334 1
1 504 . 16 1 1 A 52 52 LEU HA H 52 4.085 4.116 -0.031 1
1 514 . 16 1 1 A 52 52 LEU C C 52 177.924 176.652 1.272 1
1 515 . 16 1 1 A 52 52 LEU CA C 52 56.424 56.499 -0.075 1
1 516 . 16 1 1 A 52 52 LEU CB C 52 42.952 43.301 -0.349 1
1 520 . 16 1 1 A 52 52 LEU N N 52 117.841 118.491 -0.650 1
1 521 . 16 1 1 A 53 53 GLN H H 53 8.438 7.991 0.447 1
1 522 . 16 1 1 A 53 53 GLN HA H 53 4.583 4.682 -0.099 1
1 529 . 16 1 1 A 53 53 GLN C C 53 172.039 174.137 -2.098 1
1 530 . 16 1 1 A 53 53 GLN CA C 53 52.780 53.529 -0.749 1
1 531 . 16 1 1 A 53 53 GLN CB C 53 29.902 29.154 0.748 1
1 533 . 16 1 1 A 53 53 GLN N N 53 118.578 117.911 0.667 1
1 535 . 16 1 1 A 54 54 PRO HA H 54 4.718 4.458 0.260 1
1 542 . 16 1 1 A 54 54 PRO C C 54 177.295 177.327 -0.032 1
1 543 . 16 1 1 A 54 54 PRO CA C 54 64.754 64.666 0.088 1
1 544 . 16 1 1 A 54 54 PRO CB C 54 31.924 32.006 -0.082 1
1 547 . 16 1 1 A 55 55 ASP H H 55 8.349 8.364 -0.015 1
1 548 . 16 1 1 A 55 55 ASP HA H 55 4.596 4.763 -0.167 1
1 551 . 16 1 1 A 55 55 ASP C C 55 176.361 176.060 0.301 1
1 552 . 16 1 1 A 55 55 ASP CA C 55 53.467 54.551 -1.084 1
1 553 . 16 1 1 A 55 55 ASP CB C 55 40.050 40.813 -0.763 1
1 554 . 16 1 1 A 55 55 ASP N N 55 114.766 116.446 -1.680 1
1 555 . 16 1 1 A 56 56 PHE H H 56 8.187 7.379 0.808 1
1 556 . 16 1 1 A 56 56 PHE HA H 56 4.055 4.706 -0.651 1
1 564 . 16 1 1 A 56 56 PHE C C 56 175.257 173.989 1.268 1
1 565 . 16 1 1 A 56 56 PHE CA C 56 61.149 56.651 4.498 1
1 566 . 16 1 1 A 56 56 PHE CB C 56 38.680 38.899 -0.219 1
1 572 . 16 1 1 A 56 56 PHE N N 56 122.323 121.262 1.061 1
1 573 . 16 1 1 A 57 57 ASP H H 57 6.887 8.533 -1.646 1
1 574 . 16 1 1 A 57 57 ASP HA H 57 4.670 5.010 -0.340 1
1 577 . 16 1 1 A 57 57 ASP C C 57 176.308 176.235 0.073 1
1 578 . 16 1 1 A 57 57 ASP CA C 57 52.895 52.720 0.175 1
1 579 . 16 1 1 A 57 57 ASP CB C 57 42.942 43.202 -0.260 1
1 580 . 16 1 1 A 57 57 ASP N N 57 127.342 128.836 -1.494 1
1 581 . 16 1 1 A 58 58 SER H H 58 9.284 9.037 0.247 1
1 582 . 16 1 1 A 58 58 SER HA H 58 3.991 4.223 -0.232 1
1 585 . 16 1 1 A 58 58 SER C C 58 176.248 177.013 -0.765 1
1 586 . 16 1 1 A 58 58 SER CA C 58 63.050 61.166 1.884 1
1 587 . 16 1 1 A 58 58 SER CB C 58 63.339 63.115 0.224 1
1 588 . 16 1 1 A 58 58 SER N N 58 123.478 121.419 2.059 1
1 589 . 16 1 1 A 59 59 ARG H H 59 8.639 7.987 0.652 1
1 590 . 16 1 1 A 59 59 ARG HA H 59 4.073 4.394 -0.321 1
1 597 . 16 1 1 A 59 59 ARG C C 59 180.693 178.587 2.106 1
1 598 . 16 1 1 A 59 59 ARG CA C 59 58.787 58.951 -0.164 1
1 599 . 16 1 1 A 59 59 ARG CB C 59 29.824 29.932 -0.108 1
1 602 . 16 1 1 A 59 59 ARG N N 59 123.207 122.129 1.078 1
1 603 . 16 1 1 A 60 60 LEU H H 60 7.460 7.901 -0.441 1
1 604 . 16 1 1 A 60 60 LEU HA H 60 3.841 3.961 -0.120 1
1 614 . 16 1 1 A 60 60 LEU C C 60 177.018 177.711 -0.693 1
1 615 . 16 1 1 A 60 60 LEU CA C 60 56.556 57.798 -1.242 1
1 616 . 16 1 1 A 60 60 LEU CB C 60 41.013 41.633 -0.620 1
1 620 . 16 1 1 A 60 60 LEU N N 60 120.191 119.408 0.783 1
1 621 . 16 1 1 A 61 61 TYR H H 61 7.200 7.838 -0.638 1
1 622 . 16 1 1 A 61 61 TYR HA H 61 4.781 4.626 0.155 1
1 629 . 16 1 1 A 61 61 TYR C C 61 175.303 175.943 -0.640 1
1 630 . 16 1 1 A 61 61 TYR CA C 61 56.371 57.876 -1.505 1
1 631 . 16 1 1 A 61 61 TYR CB C 61 38.825 38.810 0.015 1
1 636 . 16 1 1 A 61 61 TYR N N 61 114.720 115.656 -0.936 1
1 637 . 16 1 1 A 62 62 GLY H H 62 7.354 8.209 -0.855 1
1 638 . 16 1 1 A 62 62 GLY HA2 H 62 3.968 3.939 0.029 1
1 639 . 16 1 1 A 62 62 GLY HA3 H 62 3.552 3.954 -0.402 1
1 640 . 16 1 1 A 62 62 GLY C C 62 173.542 174.028 -0.486 1
1 641 . 16 1 1 A 62 62 GLY CA C 62 44.889 45.351 -0.462 1
1 642 . 16 1 1 A 62 62 GLY N N 62 104.100 108.790 -4.690 1
1 643 . 16 1 1 A 63 63 TYR H H 63 7.377 7.889 -0.512 1
1 644 . 16 1 1 A 63 63 TYR HA H 63 4.937 4.573 0.364 1
1 651 . 16 1 1 A 63 63 TYR C C 63 175.675 176.342 -0.667 1
1 652 . 16 1 1 A 63 63 TYR CA C 63 56.902 58.626 -1.724 1
1 653 . 16 1 1 A 63 63 TYR CB C 63 42.609 38.916 3.693 1
1 658 . 16 1 1 A 63 63 TYR N N 63 117.874 120.293 -2.419 1
1 659 . 16 1 1 A 64 64 LYS H H 64 9.403 8.937 0.466 1
1 660 . 16 1 1 A 64 64 LYS HA H 64 3.914 4.291 -0.377 1
1 669 . 16 1 1 A 64 64 LYS C C 64 176.334 176.731 -0.397 1
1 670 . 16 1 1 A 64 64 LYS CA C 64 59.534 58.114 1.420 1
1 671 . 16 1 1 A 64 64 LYS CB C 64 32.892 32.965 -0.073 1
1 675 . 16 1 1 A 64 64 LYS N N 64 123.946 122.481 1.465 1
1 676 . 16 1 1 A 65 65 LYS H H 65 7.635 7.623 0.012 1
1 677 . 16 1 1 A 65 65 LYS HA H 65 4.787 4.617 0.170 1
1 686 . 16 1 1 A 65 65 LYS C C 65 177.231 176.565 0.666 1
1 687 . 16 1 1 A 65 65 LYS CA C 65 54.089 55.138 -1.049 1
1 688 . 16 1 1 A 65 65 LYS CB C 65 35.722 33.783 1.939 1
1 692 . 16 1 1 A 65 65 LYS N N 65 112.461 114.342 -1.881 1
1 693 . 16 1 1 A 66 66 LEU H H 66 9.090 8.686 0.404 1
1 694 . 16 1 1 A 66 66 LEU HA H 66 4.240 4.192 0.048 1
1 704 . 16 1 1 A 66 66 LEU C C 66 178.820 178.262 0.558 1
1 705 . 16 1 1 A 66 66 LEU CA C 66 58.129 58.689 -0.560 1
1 706 . 16 1 1 A 66 66 LEU CB C 66 41.476 41.661 -0.185 1
1 710 . 16 1 1 A 66 66 LEU N N 66 124.584 121.444 3.140 1
1 711 . 16 1 1 A 67 67 SER H H 67 8.867 8.371 0.496 1
1 712 . 16 1 1 A 67 67 SER HA H 67 3.697 4.162 -0.465 1
1 715 . 16 1 1 A 67 67 SER C C 67 175.588 176.384 -0.796 1
1 716 . 16 1 1 A 67 67 SER CA C 67 61.518 61.565 -0.047 1
1 717 . 16 1 1 A 67 67 SER CB C 67 61.537 62.197 -0.660 1
1 718 . 16 1 1 A 67 67 SER N N 67 112.095 114.131 -2.036 1
1 719 . 16 1 1 A 68 68 ASP H H 68 6.783 7.946 -1.163 1
1 720 . 16 1 1 A 68 68 ASP HA H 68 4.356 4.468 -0.112 1
1 723 . 16 1 1 A 68 68 ASP C C 68 177.827 178.321 -0.494 1
1 724 . 16 1 1 A 68 68 ASP CA C 68 57.170 57.458 -0.288 1
1 725 . 16 1 1 A 68 68 ASP CB C 68 41.380 41.374 0.006 1
1 726 . 16 1 1 A 68 68 ASP N N 68 119.720 121.261 -1.541 1
1 727 . 16 1 1 A 69 69 LEU H H 69 7.153 7.433 -0.280 1
1 728 . 16 1 1 A 69 69 LEU HA H 69 2.561 3.532 -0.971 1
1 738 . 16 1 1 A 69 69 LEU C C 69 177.830 178.481 -0.651 1
1 739 . 16 1 1 A 69 69 LEU CA C 69 58.843 57.884 0.959 1
1 740 . 16 1 1 A 69 69 LEU CB C 69 42.203 41.515 0.688 1
1 744 . 16 1 1 A 69 69 LEU N N 69 122.181 120.375 1.806 1
1 745 . 16 1 1 A 70 70 VAL H H 70 8.167 8.194 -0.027 1
1 746 . 16 1 1 A 70 70 VAL HA H 70 3.509 3.657 -0.148 1
1 754 . 16 1 1 A 70 70 VAL C C 70 177.695 178.025 -0.330 1
1 755 . 16 1 1 A 70 70 VAL CA C 70 65.582 66.903 -1.321 1
1 756 . 16 1 1 A 70 70 VAL CB C 70 31.409 31.631 -0.222 1
1 759 . 16 1 1 A 70 70 VAL N N 70 116.117 119.457 -3.340 1
1 760 . 16 1 1 A 71 71 LYS H H 71 7.665 7.840 -0.175 1
1 761 . 16 1 1 A 71 71 LYS HA H 71 3.854 4.122 -0.268 1
1 770 . 16 1 1 A 71 71 LYS C C 71 177.406 178.676 -1.270 1
1 771 . 16 1 1 A 71 71 LYS CA C 71 59.175 58.800 0.375 1
1 772 . 16 1 1 A 71 71 LYS CB C 71 32.804 31.300 1.504 1
1 776 . 16 1 1 A 71 71 LYS N N 71 116.326 120.083 -3.757 1
1 777 . 16 1 1 A 72 72 ALA H H 72 7.506 7.676 -0.170 1
1 778 . 16 1 1 A 72 72 ALA HA H 72 4.391 4.261 0.130 1
1 782 . 16 1 1 A 72 72 ALA C C 72 180.756 178.688 2.068 1
1 783 . 16 1 1 A 72 72 ALA CA C 72 53.691 55.044 -1.353 1
1 784 . 16 1 1 A 72 72 ALA CB C 72 20.243 18.808 1.435 1
1 785 . 16 1 1 A 72 72 ALA N N 72 118.313 121.878 -3.565 1
1 786 . 16 1 1 A 73 73 ARG H H 73 7.603 7.799 -0.196 1
1 787 . 16 1 1 A 73 73 ARG HA H 73 4.872 4.448 0.424 1
1 795 . 16 1 1 A 73 73 ARG C C 73 177.558 176.743 0.815 1
1 796 . 16 1 1 A 73 73 ARG CA C 73 51.230 54.579 -3.349 1
1 797 . 16 1 1 A 73 73 ARG CB C 73 25.568 27.915 -2.347 1
1 800 . 16 1 1 A 73 73 ARG N N 73 118.690 116.249 2.441 1
1 802 . 16 1 1 A 74 74 THR H H 74 8.261 7.820 0.441 1
1 803 . 16 1 1 A 74 74 THR HA H 74 4.552 4.436 0.116 1
1 808 . 16 1 1 A 74 74 THR C C 74 174.706 175.847 -1.141 1
1 809 . 16 1 1 A 74 74 THR CA C 74 62.876 64.559 -1.683 1
1 810 . 16 1 1 A 74 74 THR CB C 74 68.716 68.426 0.290 1
1 812 . 16 1 1 A 74 74 THR N N 74 115.950 113.669 2.281 1
1 813 . 16 1 1 A 75 75 ASP H H 75 9.542 8.186 1.356 1
1 814 . 16 1 1 A 75 75 ASP HA H 75 4.310 4.314 -0.004 1
1 817 . 16 1 1 A 75 75 ASP C C 75 175.958 177.242 -1.284 1
1 818 . 16 1 1 A 75 75 ASP CA C 75 54.476 57.138 -2.662 1
1 819 . 16 1 1 A 75 75 ASP CB C 75 38.969 41.505 -2.536 1
1 820 . 16 1 1 A 75 75 ASP N N 75 116.582 122.188 -5.606 1
1 821 . 16 1 1 A 76 76 LEU H H 76 7.078 7.332 -0.254 1
1 822 . 16 1 1 A 76 76 LEU HA H 76 4.225 4.104 0.121 1
1 832 . 16 1 1 A 76 76 LEU C C 76 177.244 175.964 1.280 1
1 833 . 16 1 1 A 76 76 LEU CA C 76 55.349 55.730 -0.381 1
1 834 . 16 1 1 A 76 76 LEU CB C 76 43.508 43.412 0.096 1
1 838 . 16 1 1 A 76 76 LEU N N 76 117.639 116.886 0.753 1
1 839 . 16 1 1 A 77 77 PHE H H 77 7.977 7.367 0.610 1
1 840 . 16 1 1 A 77 77 PHE HA H 77 5.648 5.065 0.583 1
1 848 . 16 1 1 A 77 77 PHE C C 77 175.868 174.837 1.031 1
1 849 . 16 1 1 A 77 77 PHE CA C 77 54.878 56.347 -1.469 1
1 850 . 16 1 1 A 77 77 PHE CB C 77 42.833 41.777 1.056 1
1 856 . 16 1 1 A 77 77 PHE N N 77 115.989 115.429 0.560 1
1 857 . 16 1 1 A 78 78 VAL H H 78 8.863 9.124 -0.261 1
1 858 . 16 1 1 A 78 78 VAL HA H 78 4.425 4.485 -0.060 1
1 866 . 16 1 1 A 78 78 VAL C C 78 175.288 175.749 -0.461 1
1 867 . 16 1 1 A 78 78 VAL CA C 78 61.575 62.557 -0.982 1
1 868 . 16 1 1 A 78 78 VAL CB C 78 33.988 31.659 2.329 1
1 871 . 16 1 1 A 78 78 VAL N N 78 123.339 123.864 -0.525 1
1 872 . 16 1 1 A 79 79 THR H H 79 8.305 8.997 -0.692 1
1 873 . 16 1 1 A 79 79 THR HA H 79 5.882 5.549 0.333 1
1 878 . 16 1 1 A 79 79 THR C C 79 174.566 173.930 0.636 1
1 879 . 16 1 1 A 79 79 THR CA C 79 59.476 60.455 -0.979 1
1 880 . 16 1 1 A 79 79 THR CB C 79 73.090 70.818 2.272 1
1 882 . 16 1 1 A 79 79 THR N N 79 113.057 119.544 -6.487 1
1 883 . 16 1 1 A 80 80 GLU H H 80 8.962 8.836 0.126 1
1 884 . 16 1 1 A 80 80 GLU HA H 80 4.589 4.981 -0.392 1
1 889 . 16 1 1 A 80 80 GLU C C 80 174.040 175.700 -1.660 1
1 890 . 16 1 1 A 80 80 GLU CA C 80 55.878 55.173 0.705 1
1 891 . 16 1 1 A 80 80 GLU CB C 80 33.399 33.411 -0.012 1
1 893 . 16 1 1 A 80 80 GLU N N 80 117.934 122.649 -4.715 1
1 894 . 16 1 1 A 81 81 GLU H H 81 8.687 8.853 -0.166 1
1 895 . 16 1 1 A 81 81 GLU HA H 81 5.213 4.950 0.263 1
1 900 . 16 1 1 A 81 81 GLU C C 81 176.406 176.113 0.293 1
1 901 . 16 1 1 A 81 81 GLU CA C 81 55.186 56.288 -1.102 1
1 902 . 16 1 1 A 81 81 GLU CB C 81 31.544 30.601 0.943 1
1 904 . 16 1 1 A 81 81 GLU N N 81 122.400 123.787 -1.387 1
1 905 . 16 1 1 A 82 82 ARG H H 82 9.118 9.072 0.046 1
1 906 . 16 1 1 A 82 82 ARG HA H 82 4.635 4.785 -0.150 1
1 914 . 16 1 1 A 82 82 ARG C C 82 175.222 174.862 0.360 1
1 915 . 16 1 1 A 82 82 ARG CA C 82 54.746 54.222 0.524 1
1 916 . 16 1 1 A 82 82 ARG CB C 82 33.719 32.612 1.107 1
1 919 . 16 1 1 A 82 82 ARG N N 82 121.851 124.014 -2.163 1
1 921 . 16 1 1 A 83 83 GLN H H 83 8.642 8.500 0.142 1
1 922 . 16 1 1 A 83 83 GLN HA H 83 4.340 4.631 -0.291 1
1 927 . 16 1 1 A 83 83 GLN C C 83 175.705 175.443 0.262 1
1 928 . 16 1 1 A 83 83 GLN CA C 83 56.094 55.604 0.490 1
1 929 . 16 1 1 A 83 83 GLN CB C 83 29.424 29.368 0.056 1
1 931 . 16 1 1 A 83 83 GLN N N 83 121.976 122.283 -0.307 1
1 932 . 16 1 1 A 84 84 VAL H H 84 8.818 8.573 0.245 1
1 933 . 16 1 1 A 84 84 VAL HA H 84 4.399 4.531 -0.132 1
1 941 . 16 1 1 A 84 84 VAL C C 84 174.439 174.381 0.058 1
1 942 . 16 1 1 A 84 84 VAL CA C 84 59.977 59.371 0.606 1
1 943 . 16 1 1 A 84 84 VAL CB C 84 32.948 31.852 1.096 1
1 946 . 16 1 1 A 84 84 VAL N N 84 128.548 126.275 2.273 1
1 947 . 16 1 1 A 85 85 PRO HA H 85 4.313 4.261 0.052 1
1 954 . 16 1 1 A 85 85 PRO C C 85 178.026 177.348 0.678 1
1 955 . 16 1 1 A 85 85 PRO CA C 85 64.139 64.168 -0.029 1
1 956 . 16 1 1 A 85 85 PRO CB C 85 31.744 31.454 0.290 1
1 959 . 16 1 1 A 86 86 GLY H H 86 8.815 8.794 0.021 1
1 960 . 16 1 1 A 86 86 GLY HA2 H 86 3.751 3.896 -0.145 1
1 961 . 16 1 1 A 86 86 GLY HA3 H 86 4.148 3.899 0.249 1
1 962 . 16 1 1 A 86 86 GLY C C 86 173.673 173.513 0.160 1
1 963 . 16 1 1 A 86 86 GLY CA C 86 45.661 45.265 0.396 1
1 964 . 16 1 1 A 86 86 GLY N N 86 111.839 113.306 -1.467 1
1 965 . 16 1 1 A 87 87 SER H H 87 8.029 7.995 0.034 1
1 966 . 16 1 1 A 87 87 SER HA H 87 4.955 4.670 0.285 1
1 969 . 16 1 1 A 87 87 SER C C 87 174.293 173.911 0.382 1
1 970 . 16 1 1 A 87 87 SER CA C 87 56.119 57.829 -1.710 1
1 971 . 16 1 1 A 87 87 SER CB C 87 65.288 65.234 0.054 1
1 972 . 16 1 1 A 87 87 SER N N 87 114.255 116.405 -2.150 1
1 973 . 16 1 1 A 88 88 THR H H 88 8.366 8.361 0.005 1
1 974 . 16 1 1 A 88 88 THR HA H 88 4.438 4.312 0.126 1
1 979 . 16 1 1 A 88 88 THR C C 88 175.360 174.203 1.157 1
1 980 . 16 1 1 A 88 88 THR CA C 88 62.103 63.453 -1.350 1
1 981 . 16 1 1 A 88 88 THR CB C 88 69.017 69.612 -0.595 1
1 983 . 16 1 1 A 88 88 THR N N 88 112.921 119.380 -6.459 1
1 984 . 16 1 1 A 89 89 GLN H H 89 8.342 7.592 0.750 1
1 985 . 16 1 1 A 89 89 GLN HA H 89 4.382 4.847 -0.465 1
1 990 . 16 1 1 A 89 89 GLN C C 89 175.462 175.356 0.106 1
1 991 . 16 1 1 A 89 89 GLN CA C 89 55.599 54.867 0.732 1
1 992 . 16 1 1 A 89 89 GLN CB C 89 30.016 30.597 -0.581 1
1 994 . 16 1 1 A 89 89 GLN N N 89 122.086 117.151 4.935 1
1 995 . 16 1 1 A 90 90 LYS H H 90 8.584 8.748 -0.164 1
1 996 . 16 1 1 A 90 90 LYS HA H 90 4.779 4.835 -0.056 1
1 1005 . 16 1 1 A 90 90 LYS C C 90 175.897 176.126 -0.229 1
1 1006 . 16 1 1 A 90 90 LYS CA C 90 55.590 55.721 -0.131 1
1 1007 . 16 1 1 A 90 90 LYS CB C 90 34.742 33.710 1.032 1
1 1011 . 16 1 1 A 90 90 LYS N N 90 121.945 120.642 1.303 1
1 1012 . 16 1 1 A 91 91 ALA H H 91 8.975 9.107 -0.132 1
1 1013 . 16 1 1 A 91 91 ALA HA H 91 4.738 5.116 -0.378 1
1 1017 . 16 1 1 A 91 91 ALA C C 91 175.585 175.309 0.276 1
1 1018 . 16 1 1 A 91 91 ALA CA C 91 50.741 50.130 0.611 1
1 1019 . 16 1 1 A 91 91 ALA CB C 91 22.890 22.540 0.350 1
1 1020 . 16 1 1 A 91 91 ALA N N 91 124.604 123.443 1.161 1
1 1021 . 16 1 1 A 92 92 LEU H H 92 8.523 8.328 0.195 1
1 1022 . 16 1 1 A 92 92 LEU HA H 92 4.707 4.855 -0.148 1
1 1032 . 16 1 1 A 92 92 LEU C C 92 174.752 174.145 0.607 1
1 1033 . 16 1 1 A 92 92 LEU CA C 92 55.285 53.796 1.489 1
1 1034 . 16 1 1 A 92 92 LEU CB C 92 43.267 43.622 -0.355 1
1 1038 . 16 1 1 A 92 92 LEU N N 92 123.888 122.611 1.277 1
1 1039 . 16 1 1 A 93 93 TYR H H 93 9.289 9.116 0.173 1
1 1040 . 16 1 1 A 93 93 TYR HA H 93 5.269 5.395 -0.126 1
1 1047 . 16 1 1 A 93 93 TYR C C 93 174.528 175.628 -1.100 1
1 1048 . 16 1 1 A 93 93 TYR CA C 93 56.505 56.446 0.059 1
1 1049 . 16 1 1 A 93 93 TYR CB C 93 41.881 41.594 0.287 1
1 1054 . 16 1 1 A 93 93 TYR N N 93 126.872 127.017 -0.145 1
1 1055 . 16 1 1 A 94 94 LEU H H 94 9.551 9.347 0.204 1
1 1056 . 16 1 1 A 94 94 LEU HA H 94 5.869 5.306 0.563 1
1 1066 . 16 1 1 A 94 94 LEU C C 94 173.433 175.038 -1.605 1
1 1067 . 16 1 1 A 94 94 LEU CA C 94 54.131 53.568 0.563 1
1 1068 . 16 1 1 A 94 94 LEU CB C 94 46.320 45.882 0.438 1
1 1072 . 16 1 1 A 94 94 LEU N N 94 117.884 122.542 -4.658 1
1 1073 . 16 1 1 A 95 95 ARG H H 95 8.603 8.762 -0.159 1
1 1074 . 16 1 1 A 95 95 ARG HA H 95 4.707 4.901 -0.194 1
1 1082 . 16 1 1 A 95 95 ARG C C 95 174.605 174.678 -0.073 1
1 1083 . 16 1 1 A 95 95 ARG CA C 95 53.795 54.083 -0.288 1
1 1084 . 16 1 1 A 95 95 ARG CB C 95 33.468 33.486 -0.018 1
1 1087 . 16 1 1 A 95 95 ARG N N 95 116.939 120.014 -3.075 1
1 1089 . 16 1 1 A 96 96 ALA H H 96 9.072 8.522 0.550 1
1 1090 . 16 1 1 A 96 96 ALA HA H 96 4.404 4.400 0.004 1
1 1094 . 16 1 1 A 96 96 ALA C C 96 177.811 176.934 0.877 1
1 1095 . 16 1 1 A 96 96 ALA CA C 96 52.324 52.264 0.060 1
1 1096 . 16 1 1 A 96 96 ALA CB C 96 18.248 19.140 -0.892 1
1 1097 . 16 1 1 A 96 96 ALA N N 96 124.914 124.083 0.831 1
1 1098 . 16 1 1 A 97 97 LYS H H 97 7.989 8.412 -0.423 1
1 1099 . 16 1 1 A 97 97 LYS HA H 97 3.922 4.436 -0.514 1
1 1108 . 16 1 1 A 97 97 LYS C C 97 175.978 174.969 1.009 1
1 1109 . 16 1 1 A 97 97 LYS CA C 97 56.915 55.994 0.921 1
1 1110 . 16 1 1 A 97 97 LYS CB C 97 32.864 32.615 0.249 1
1 1114 . 16 1 1 A 97 97 LYS N N 97 123.129 122.969 0.160 1
1 1115 . 16 1 1 A 98 98 LEU H H 98 8.118 8.928 -0.810 1
1 1116 . 16 1 1 A 98 98 LEU HA H 98 4.321 4.989 -0.668 1
1 1126 . 16 1 1 A 98 98 LEU C C 98 176.592 175.064 1.528 1
1 1127 . 16 1 1 A 98 98 LEU CA C 98 54.627 53.724 0.903 1
1 1128 . 16 1 1 A 98 98 LEU CB C 98 42.566 42.055 0.511 1
1 1132 . 16 1 1 A 98 98 LEU N N 98 123.816 129.505 -5.689 1
1 1133 . 16 1 1 A 99 99 GLU H H 99 8.376 8.783 -0.407 1
1 1134 . 16 1 1 A 99 99 GLU C C 99 175.790 173.964 1.826 1
1 1 . 17 1 1 A 5 5 SER H H 5 8.350 7.389 0.961 1
1 2 . 17 1 1 A 5 5 SER N N 5 116.816 118.343 -1.527 1
1 3 . 17 1 1 A 9 9 GLN H H 9 8.479 8.777 -0.298 1
1 4 . 17 1 1 A 9 9 GLN N N 9 121.973 123.665 -1.692 1
1 5 . 17 1 1 A 10 10 PRO HA H 10 4.392 4.645 -0.253 1
1 8 . 17 1 1 A 10 10 PRO C C 10 176.702 176.661 0.041 1
1 9 . 17 1 1 A 10 10 PRO CA C 10 63.029 62.460 0.569 1
1 10 . 17 1 1 A 10 10 PRO CB C 10 32.056 32.251 -0.195 1
1 11 . 17 1 1 A 11 11 ALA H H 11 8.421 8.289 0.132 1
1 12 . 17 1 1 A 11 11 ALA HA H 11 4.254 4.481 -0.227 1
1 16 . 17 1 1 A 11 11 ALA C C 11 177.592 176.536 1.056 1
1 17 . 17 1 1 A 11 11 ALA CA C 11 52.405 51.710 0.695 1
1 18 . 17 1 1 A 11 11 ALA CB C 11 19.242 18.399 0.843 1
1 19 . 17 1 1 A 11 11 ALA N N 11 124.566 124.125 0.441 1
1 20 . 17 1 1 A 12 12 ALA H H 12 8.297 8.328 -0.031 1
1 21 . 17 1 1 A 12 12 ALA HA H 12 4.278 5.016 -0.738 1
1 25 . 17 1 1 A 12 12 ALA C C 12 177.607 176.242 1.365 1
1 26 . 17 1 1 A 12 12 ALA CA C 12 52.402 50.532 1.870 1
1 27 . 17 1 1 A 12 12 ALA CB C 12 19.397 23.522 -4.125 1
1 28 . 17 1 1 A 12 12 ALA N N 12 123.470 126.152 -2.682 1
1 29 . 17 1 1 A 13 13 GLN H H 13 8.302 8.405 -0.103 1
1 30 . 17 1 1 A 13 13 GLN HA H 13 4.304 4.770 -0.466 1
1 33 . 17 1 1 A 13 13 GLN C C 13 175.344 174.748 0.596 1
1 34 . 17 1 1 A 13 13 GLN CA C 13 55.396 54.897 0.499 1
1 35 . 17 1 1 A 13 13 GLN CB C 13 29.738 29.794 -0.056 1
1 36 . 17 1 1 A 13 13 GLN N N 13 119.718 117.497 2.221 1
1 37 . 17 1 1 A 14 14 ALA H H 14 8.405 8.768 -0.363 1
1 38 . 17 1 1 A 14 14 ALA HA H 14 4.580 4.524 0.056 1
1 42 . 17 1 1 A 14 14 ALA C C 14 175.619 176.222 -0.603 1
1 43 . 17 1 1 A 14 14 ALA CA C 14 50.607 49.612 0.995 1
1 44 . 17 1 1 A 14 14 ALA CB C 14 18.031 19.843 -1.812 1
1 45 . 17 1 1 A 14 14 ALA N N 14 127.291 128.526 -1.235 1
1 46 . 17 1 1 A 15 15 PRO HA H 15 4.399 4.763 -0.364 1
1 49 . 17 1 1 A 15 15 PRO C C 15 177.086 177.426 -0.340 1
1 50 . 17 1 1 A 15 15 PRO CA C 15 63.294 62.936 0.358 1
1 51 . 17 1 1 A 15 15 PRO CB C 15 31.988 31.516 0.472 1
1 52 . 17 1 1 A 16 16 GLU H H 16 8.656 8.743 -0.087 1
1 53 . 17 1 1 A 16 16 GLU HA H 16 4.306 3.877 0.429 1
1 56 . 17 1 1 A 16 16 GLU C C 16 176.897 175.538 1.359 1
1 57 . 17 1 1 A 16 16 GLU CA C 16 56.771 58.890 -2.119 1
1 58 . 17 1 1 A 16 16 GLU CB C 16 30.209 28.233 1.976 1
1 59 . 17 1 1 A 16 16 GLU N N 16 120.957 118.443 2.514 1
1 60 . 17 1 1 A 17 17 THR H H 17 8.202 7.912 0.290 1
1 61 . 17 1 1 A 17 17 THR HA H 17 4.336 4.645 -0.309 1
1 66 . 17 1 1 A 17 17 THR C C 17 174.612 171.634 2.978 1
1 67 . 17 1 1 A 17 17 THR CA C 17 61.981 59.722 2.259 1
1 68 . 17 1 1 A 17 17 THR CB C 17 69.928 70.660 -0.732 1
1 70 . 17 1 1 A 17 17 THR N N 17 115.763 111.130 4.633 1
1 71 . 17 1 1 A 18 18 LYS H H 18 8.373 8.720 -0.347 1
1 72 . 17 1 1 A 18 18 LYS HA H 18 4.365 5.162 -0.797 1
1 81 . 17 1 1 A 18 18 LYS C C 18 176.509 175.014 1.495 1
1 82 . 17 1 1 A 18 18 LYS CA C 18 56.348 54.228 2.120 1
1 83 . 17 1 1 A 18 18 LYS CB C 18 33.051 36.005 -2.954 1
1 87 . 17 1 1 A 18 18 LYS N N 18 123.975 124.043 -0.068 1
1 88 . 17 1 1 A 19 19 GLN H H 19 8.387 8.740 -0.353 1
1 89 . 17 1 1 A 19 19 GLN HA H 19 4.378 4.856 -0.478 1
1 96 . 17 1 1 A 19 19 GLN C C 19 175.630 174.648 0.982 1
1 97 . 17 1 1 A 19 19 GLN CA C 19 55.614 53.981 1.633 1
1 98 . 17 1 1 A 19 19 GLN CB C 19 29.749 31.575 -1.826 1
1 100 . 17 1 1 A 19 19 GLN N N 19 121.480 124.484 -3.004 1
1 102 . 17 1 1 A 20 20 ALA H H 20 8.505 8.853 -0.348 1
1 103 . 17 1 1 A 20 20 ALA HA H 20 4.449 5.238 -0.789 1
1 107 . 17 1 1 A 20 20 ALA C C 20 177.361 175.809 1.552 1
1 108 . 17 1 1 A 20 20 ALA CA C 20 52.165 49.984 2.181 1
1 109 . 17 1 1 A 20 20 ALA CB C 20 19.253 22.502 -3.249 1
1 110 . 17 1 1 A 20 20 ALA N N 20 125.974 121.949 4.025 1
1 111 . 17 1 1 A 21 21 PHE H H 21 8.851 8.910 -0.059 1
1 112 . 17 1 1 A 21 21 PHE HA H 21 4.422 5.152 -0.730 1
1 120 . 17 1 1 A 21 21 PHE C C 21 176.063 174.400 1.663 1
1 121 . 17 1 1 A 21 21 PHE CA C 21 56.142 55.340 0.802 1
1 122 . 17 1 1 A 21 21 PHE CB C 21 39.867 39.960 -0.093 1
1 128 . 17 1 1 A 21 21 PHE N N 21 124.486 119.170 5.316 1
1 129 . 17 1 1 A 22 22 PRO HA H 22 4.856 4.977 -0.121 1
1 136 . 17 1 1 A 22 22 PRO C C 22 174.848 177.333 -2.485 1
1 137 . 17 1 1 A 22 22 PRO CA C 22 62.078 62.408 -0.330 1
1 138 . 17 1 1 A 22 22 PRO CB C 22 28.563 30.658 -2.095 1
1 141 . 17 1 1 A 23 23 ARG H H 23 8.356 8.676 -0.320 1
1 142 . 17 1 1 A 23 23 ARG HA H 23 3.650 4.121 -0.471 1
1 149 . 17 1 1 A 23 23 ARG C C 23 176.762 178.656 -1.894 1
1 150 . 17 1 1 A 23 23 ARG CA C 23 60.448 58.812 1.636 1
1 151 . 17 1 1 A 23 23 ARG CB C 23 31.422 29.685 1.737 1
1 154 . 17 1 1 A 23 23 ARG N N 23 126.815 121.613 5.202 1
1 155 . 17 1 1 A 24 24 LYS H H 24 8.555 7.877 0.678 1
1 156 . 17 1 1 A 24 24 LYS HA H 24 3.926 4.002 -0.076 1
1 165 . 17 1 1 A 24 24 LYS C C 24 179.506 179.494 0.012 1
1 166 . 17 1 1 A 24 24 LYS CA C 24 59.888 59.394 0.494 1
1 167 . 17 1 1 A 24 24 LYS CB C 24 31.782 32.093 -0.311 1
1 171 . 17 1 1 A 24 24 LYS N N 24 116.573 119.570 -2.997 1
1 172 . 17 1 1 A 25 25 PHE H H 25 7.575 8.190 -0.615 1
1 173 . 17 1 1 A 25 25 PHE HA H 25 4.487 4.361 0.126 1
1 181 . 17 1 1 A 25 25 PHE C C 25 177.447 178.298 -0.851 1
1 182 . 17 1 1 A 25 25 PHE CA C 25 59.779 60.173 -0.394 1
1 183 . 17 1 1 A 25 25 PHE CB C 25 38.791 38.569 0.222 1
1 189 . 17 1 1 A 25 25 PHE N N 25 118.123 119.335 -1.212 1
1 190 . 17 1 1 A 26 26 VAL H H 26 8.024 7.920 0.104 1
1 191 . 17 1 1 A 26 26 VAL HA H 26 3.608 3.636 -0.028 1
1 199 . 17 1 1 A 26 26 VAL C C 26 177.770 178.173 -0.403 1
1 200 . 17 1 1 A 26 26 VAL CA C 26 66.473 66.947 -0.474 1
1 201 . 17 1 1 A 26 26 VAL CB C 26 31.408 31.626 -0.218 1
1 204 . 17 1 1 A 26 26 VAL N N 26 117.081 119.189 -2.108 1
1 205 . 17 1 1 A 27 27 LEU H H 27 8.220 8.785 -0.565 1
1 206 . 17 1 1 A 27 27 LEU HA H 27 4.234 4.180 0.054 1
1 216 . 17 1 1 A 27 27 LEU C C 27 180.010 179.678 0.332 1
1 217 . 17 1 1 A 27 27 LEU CA C 27 57.864 57.583 0.281 1
1 218 . 17 1 1 A 27 27 LEU CB C 27 40.488 40.457 0.031 1
1 222 . 17 1 1 A 27 27 LEU N N 27 118.748 117.987 0.761 1
1 223 . 17 1 1 A 28 28 ALA H H 28 8.014 8.545 -0.531 1
1 224 . 17 1 1 A 28 28 ALA HA H 28 4.289 3.985 0.304 1
1 228 . 17 1 1 A 28 28 ALA C C 28 179.951 180.133 -0.182 1
1 229 . 17 1 1 A 28 28 ALA CA C 28 55.110 55.309 -0.199 1
1 230 . 17 1 1 A 28 28 ALA CB C 28 17.970 17.808 0.162 1
1 231 . 17 1 1 A 28 28 ALA N N 28 124.088 121.698 2.390 1
1 232 . 17 1 1 A 29 29 ALA H H 29 8.259 7.590 0.669 1
1 233 . 17 1 1 A 29 29 ALA HA H 29 3.942 4.435 -0.493 1
1 237 . 17 1 1 A 29 29 ALA C C 29 180.505 180.302 0.203 1
1 238 . 17 1 1 A 29 29 ALA CA C 29 54.976 55.227 -0.251 1
1 239 . 17 1 1 A 29 29 ALA CB C 29 17.923 18.248 -0.325 1
1 240 . 17 1 1 A 29 29 ALA N N 29 120.431 121.167 -0.736 1
1 241 . 17 1 1 A 30 30 LEU H H 30 8.098 8.272 -0.174 1
1 242 . 17 1 1 A 30 30 LEU HA H 30 4.007 4.247 -0.240 1
1 252 . 17 1 1 A 30 30 LEU C C 30 178.315 178.295 0.020 1
1 253 . 17 1 1 A 30 30 LEU CA C 30 58.096 58.560 -0.464 1
1 254 . 17 1 1 A 30 30 LEU CB C 30 41.486 41.686 -0.200 1
1 258 . 17 1 1 A 30 30 LEU N N 30 120.849 120.455 0.394 1
1 259 . 17 1 1 A 31 31 GLU H H 31 8.115 8.744 -0.629 1
1 260 . 17 1 1 A 31 31 GLU HA H 31 3.967 4.033 -0.066 1
1 265 . 17 1 1 A 31 31 GLU C C 31 179.473 178.019 1.454 1
1 266 . 17 1 1 A 31 31 GLU CA C 31 59.683 59.243 0.440 1
1 267 . 17 1 1 A 31 31 GLU CB C 31 29.402 29.198 0.204 1
1 269 . 17 1 1 A 31 31 GLU N N 31 120.752 117.390 3.362 1
1 270 . 17 1 1 A 32 32 GLN H H 32 7.812 8.029 -0.217 1
1 271 . 17 1 1 A 32 32 GLN HA H 32 4.001 4.065 -0.064 1
1 278 . 17 1 1 A 32 32 GLN C C 32 176.519 176.364 0.155 1
1 279 . 17 1 1 A 32 32 GLN CA C 32 57.576 57.815 -0.239 1
1 280 . 17 1 1 A 32 32 GLN CB C 32 29.108 28.487 0.621 1
1 282 . 17 1 1 A 32 32 GLN N N 32 114.711 118.951 -4.240 1
1 284 . 17 1 1 A 33 33 SER H H 33 7.460 7.776 -0.316 1
1 285 . 17 1 1 A 33 33 SER HA H 33 4.257 4.387 -0.130 1
1 288 . 17 1 1 A 33 33 SER C C 33 174.508 174.127 0.381 1
1 289 . 17 1 1 A 33 33 SER CA C 33 58.504 58.021 0.483 1
1 290 . 17 1 1 A 33 33 SER CB C 33 65.131 63.738 1.393 1
1 291 . 17 1 1 A 33 33 SER N N 33 110.604 114.726 -4.122 1
1 292 . 17 1 1 A 34 34 SER H H 34 7.429 7.249 0.180 1
1 293 . 17 1 1 A 34 34 SER HA H 34 4.468 4.691 -0.223 1
1 296 . 17 1 1 A 34 34 SER C C 34 174.588 174.294 0.294 1
1 297 . 17 1 1 A 34 34 SER CA C 34 58.556 58.259 0.297 1
1 298 . 17 1 1 A 34 34 SER CB C 34 65.278 64.746 0.532 1
1 299 . 17 1 1 A 34 34 SER N N 34 117.544 116.890 0.654 1
1 300 . 17 1 1 A 35 35 ASP H H 35 8.822 9.014 -0.192 1
1 301 . 17 1 1 A 35 35 ASP HA H 35 4.778 4.910 -0.132 1
1 304 . 17 1 1 A 35 35 ASP C C 35 178.268 177.581 0.687 1
1 305 . 17 1 1 A 35 35 ASP CA C 35 52.849 53.752 -0.903 1
1 306 . 17 1 1 A 35 35 ASP CB C 35 41.314 42.050 -0.736 1
1 307 . 17 1 1 A 35 35 ASP N N 35 121.575 123.315 -1.740 1
1 308 . 17 1 1 A 36 36 ASP H H 36 8.483 8.902 -0.419 1
1 309 . 17 1 1 A 36 36 ASP HA H 36 4.414 4.282 0.132 1
1 312 . 17 1 1 A 36 36 ASP C C 36 176.670 177.560 -0.890 1
1 313 . 17 1 1 A 36 36 ASP CA C 36 56.605 57.908 -1.303 1
1 314 . 17 1 1 A 36 36 ASP CB C 36 40.286 40.588 -0.302 1
1 315 . 17 1 1 A 36 36 ASP N N 36 117.398 122.522 -5.124 1
1 316 . 17 1 1 A 37 37 ALA H H 37 8.242 7.586 0.656 1
1 317 . 17 1 1 A 37 37 ALA HA H 37 4.532 4.378 0.154 1
1 321 . 17 1 1 A 37 37 ALA C C 37 177.407 177.922 -0.515 1
1 322 . 17 1 1 A 37 37 ALA CA C 37 51.677 52.013 -0.336 1
1 323 . 17 1 1 A 37 37 ALA CB C 37 19.774 19.441 0.333 1
1 324 . 17 1 1 A 37 37 ALA N N 37 122.052 118.457 3.595 1
1 325 . 17 1 1 A 38 38 GLY H H 38 8.155 8.165 -0.010 1
1 326 . 17 1 1 A 38 38 GLY HA2 H 38 3.624 3.813 -0.189 1
1 327 . 17 1 1 A 38 38 GLY HA3 H 38 4.080 3.899 0.181 1
1 328 . 17 1 1 A 38 38 GLY C C 38 173.417 173.965 -0.548 1
1 329 . 17 1 1 A 38 38 GLY CA C 38 45.093 45.525 -0.432 1
1 330 . 17 1 1 A 38 38 GLY N N 38 107.721 106.755 0.966 1
1 331 . 17 1 1 A 39 39 TRP H H 39 8.449 8.016 0.433 1
1 332 . 17 1 1 A 39 39 TRP HA H 39 5.054 4.771 0.283 1
1 341 . 17 1 1 A 39 39 TRP C C 39 176.577 176.245 0.332 1
1 342 . 17 1 1 A 39 39 TRP CA C 39 56.596 58.056 -1.460 1
1 343 . 17 1 1 A 39 39 TRP CB C 39 32.184 29.934 2.250 1
1 349 . 17 1 1 A 39 39 TRP N N 39 119.797 121.159 -1.362 1
1 351 . 17 1 1 A 40 40 ALA H H 40 9.855 9.450 0.405 1
1 352 . 17 1 1 A 40 40 ALA HA H 40 5.099 5.214 -0.115 1
1 356 . 17 1 1 A 40 40 ALA C C 40 176.165 176.211 -0.046 1
1 357 . 17 1 1 A 40 40 ALA CA C 40 50.202 50.129 0.073 1
1 358 . 17 1 1 A 40 40 ALA CB C 40 23.153 21.804 1.349 1
1 359 . 17 1 1 A 40 40 ALA N N 40 124.618 126.263 -1.645 1
1 360 . 17 1 1 A 41 41 ASN H H 41 8.794 8.557 0.237 1
1 361 . 17 1 1 A 41 41 ASN HA H 41 3.771 4.365 -0.594 1
1 366 . 17 1 1 A 41 41 ASN C C 41 175.824 176.129 -0.305 1
1 367 . 17 1 1 A 41 41 ASN CA C 41 52.724 53.165 -0.441 1
1 368 . 17 1 1 A 41 41 ASN CB C 41 39.927 39.826 0.101 1
1 369 . 17 1 1 A 41 41 ASN N N 41 121.050 119.494 1.556 1
1 371 . 17 1 1 A 42 42 LEU H H 42 8.493 8.303 0.190 1
1 372 . 17 1 1 A 42 42 LEU HA H 42 3.834 4.072 -0.238 1
1 382 . 17 1 1 A 42 42 LEU C C 42 178.256 179.337 -1.081 1
1 383 . 17 1 1 A 42 42 LEU CA C 42 58.859 58.377 0.482 1
1 384 . 17 1 1 A 42 42 LEU CB C 42 42.233 41.989 0.244 1
1 388 . 17 1 1 A 42 42 LEU N N 42 126.418 129.276 -2.858 1
1 389 . 17 1 1 A 43 43 GLY H H 43 8.440 8.156 0.284 1
1 390 . 17 1 1 A 43 43 GLY HA2 H 43 3.912 3.735 0.177 1
1 391 . 17 1 1 A 43 43 GLY HA3 H 43 3.822 3.748 0.074 1
1 392 . 17 1 1 A 43 43 GLY C C 43 176.344 176.415 -0.071 1
1 393 . 17 1 1 A 43 43 GLY CA C 43 47.070 47.349 -0.279 1
1 394 . 17 1 1 A 43 43 GLY N N 43 106.800 106.428 0.372 1
1 395 . 17 1 1 A 44 44 ASN H H 44 7.916 7.744 0.172 1
1 396 . 17 1 1 A 44 44 ASN HA H 44 4.472 4.563 -0.091 1
1 401 . 17 1 1 A 44 44 ASN C C 44 177.888 177.782 0.106 1
1 402 . 17 1 1 A 44 44 ASN CA C 44 56.004 55.621 0.383 1
1 403 . 17 1 1 A 44 44 ASN CB C 44 38.316 38.503 -0.187 1
1 404 . 17 1 1 A 44 44 ASN N N 44 121.472 120.298 1.174 1
1 406 . 17 1 1 A 45 45 PHE H H 45 8.563 8.258 0.305 1
1 407 . 17 1 1 A 45 45 PHE HA H 45 4.498 4.278 0.220 1
1 415 . 17 1 1 A 45 45 PHE C C 45 176.732 177.970 -1.238 1
1 416 . 17 1 1 A 45 45 PHE CA C 45 60.350 60.468 -0.118 1
1 417 . 17 1 1 A 45 45 PHE CB C 45 38.824 39.231 -0.407 1
1 423 . 17 1 1 A 45 45 PHE N N 45 121.835 122.090 -0.255 1
1 424 . 17 1 1 A 46 46 GLY H H 46 8.933 8.660 0.273 1
1 425 . 17 1 1 A 46 46 GLY HA2 H 46 3.820 3.408 0.412 1
1 426 . 17 1 1 A 46 46 GLY HA3 H 46 3.186 3.646 -0.460 1
1 427 . 17 1 1 A 46 46 GLY C C 46 176.053 175.572 0.481 1
1 428 . 17 1 1 A 46 46 GLY CA C 46 47.171 46.894 0.277 1
1 429 . 17 1 1 A 46 46 GLY N N 46 106.269 106.416 -0.147 1
1 430 . 17 1 1 A 47 47 ASN H H 47 7.812 8.160 -0.348 1
1 431 . 17 1 1 A 47 47 ASN HA H 47 4.470 4.445 0.025 1
1 436 . 17 1 1 A 47 47 ASN C C 47 178.087 177.119 0.968 1
1 437 . 17 1 1 A 47 47 ASN CA C 47 55.974 55.923 0.051 1
1 438 . 17 1 1 A 47 47 ASN CB C 47 38.149 38.820 -0.671 1
1 439 . 17 1 1 A 47 47 ASN N N 47 120.030 120.161 -0.131 1
1 441 . 17 1 1 A 48 48 TYR H H 48 8.093 8.365 -0.272 1
1 442 . 17 1 1 A 48 48 TYR HA H 48 4.007 4.126 -0.119 1
1 449 . 17 1 1 A 48 48 TYR C C 48 178.310 177.626 0.684 1
1 450 . 17 1 1 A 48 48 TYR CA C 48 62.527 60.985 1.542 1
1 451 . 17 1 1 A 48 48 TYR CB C 48 38.254 38.764 -0.510 1
1 456 . 17 1 1 A 48 48 TYR N N 48 121.030 120.047 0.983 1
1 457 . 17 1 1 A 49 49 LEU H H 49 8.480 8.237 0.243 1
1 458 . 17 1 1 A 49 49 LEU HA H 49 3.624 3.887 -0.263 1
1 468 . 17 1 1 A 49 49 LEU C C 49 177.653 178.455 -0.802 1
1 469 . 17 1 1 A 49 49 LEU CA C 49 58.321 57.877 0.444 1
1 470 . 17 1 1 A 49 49 LEU CB C 49 41.046 41.182 -0.136 1
1 474 . 17 1 1 A 49 49 LEU N N 49 121.024 121.103 -0.079 1
1 475 . 17 1 1 A 50 50 ASN H H 50 7.564 7.836 -0.272 1
1 476 . 17 1 1 A 50 50 ASN HA H 50 4.493 4.555 -0.062 1
1 481 . 17 1 1 A 50 50 ASN C C 50 176.498 177.500 -1.002 1
1 482 . 17 1 1 A 50 50 ASN CA C 50 55.479 55.560 -0.081 1
1 483 . 17 1 1 A 50 50 ASN CB C 50 39.302 39.007 0.295 1
1 484 . 17 1 1 A 50 50 ASN N N 50 114.582 116.789 -2.207 1
1 486 . 17 1 1 A 51 51 LYS H H 51 7.370 7.884 -0.514 1
1 487 . 17 1 1 A 51 51 LYS HA H 51 3.990 3.933 0.057 1
1 496 . 17 1 1 A 51 51 LYS C C 51 178.403 178.820 -0.417 1
1 497 . 17 1 1 A 51 51 LYS CA C 51 58.512 59.330 -0.818 1
1 498 . 17 1 1 A 51 51 LYS CB C 51 32.245 32.299 -0.054 1
1 502 . 17 1 1 A 51 51 LYS N N 51 118.289 118.747 -0.458 1
1 503 . 17 1 1 A 52 52 LEU H H 52 7.518 7.122 0.396 1
1 504 . 17 1 1 A 52 52 LEU HA H 52 4.085 4.197 -0.112 1
1 514 . 17 1 1 A 52 52 LEU C C 52 177.924 176.720 1.204 1
1 515 . 17 1 1 A 52 52 LEU CA C 52 56.424 56.354 0.070 1
1 516 . 17 1 1 A 52 52 LEU CB C 52 42.952 43.611 -0.659 1
1 520 . 17 1 1 A 52 52 LEU N N 52 117.841 118.608 -0.767 1
1 521 . 17 1 1 A 53 53 GLN H H 53 8.438 7.994 0.444 1
1 522 . 17 1 1 A 53 53 GLN HA H 53 4.583 4.713 -0.130 1
1 529 . 17 1 1 A 53 53 GLN C C 53 172.039 173.943 -1.904 1
1 530 . 17 1 1 A 53 53 GLN CA C 53 52.780 53.590 -0.810 1
1 531 . 17 1 1 A 53 53 GLN CB C 53 29.902 29.228 0.674 1
1 533 . 17 1 1 A 53 53 GLN N N 53 118.578 118.269 0.309 1
1 535 . 17 1 1 A 54 54 PRO HA H 54 4.718 4.609 0.109 1
1 542 . 17 1 1 A 54 54 PRO C C 54 177.295 176.939 0.356 1
1 543 . 17 1 1 A 54 54 PRO CA C 54 64.754 64.368 0.386 1
1 544 . 17 1 1 A 54 54 PRO CB C 54 31.924 31.828 0.096 1
1 547 . 17 1 1 A 55 55 ASP H H 55 8.349 8.308 0.041 1
1 548 . 17 1 1 A 55 55 ASP HA H 55 4.596 4.898 -0.302 1
1 551 . 17 1 1 A 55 55 ASP C C 55 176.361 175.912 0.449 1
1 552 . 17 1 1 A 55 55 ASP CA C 55 53.467 53.680 -0.213 1
1 553 . 17 1 1 A 55 55 ASP CB C 55 40.050 41.048 -0.998 1
1 554 . 17 1 1 A 55 55 ASP N N 55 114.766 116.687 -1.921 1
1 555 . 17 1 1 A 56 56 PHE H H 56 8.187 7.623 0.564 1
1 556 . 17 1 1 A 56 56 PHE HA H 56 4.055 4.948 -0.893 1
1 564 . 17 1 1 A 56 56 PHE C C 56 175.257 173.716 1.541 1
1 565 . 17 1 1 A 56 56 PHE CA C 56 61.149 56.363 4.786 1
1 566 . 17 1 1 A 56 56 PHE CB C 56 38.680 39.361 -0.681 1
1 572 . 17 1 1 A 56 56 PHE N N 56 122.323 121.288 1.035 1
1 573 . 17 1 1 A 57 57 ASP H H 57 6.887 8.587 -1.700 1
1 574 . 17 1 1 A 57 57 ASP HA H 57 4.670 5.094 -0.424 1
1 577 . 17 1 1 A 57 57 ASP C C 57 176.308 176.918 -0.610 1
1 578 . 17 1 1 A 57 57 ASP CA C 57 52.895 52.653 0.242 1
1 579 . 17 1 1 A 57 57 ASP CB C 57 42.942 43.406 -0.464 1
1 580 . 17 1 1 A 57 57 ASP N N 57 127.342 128.525 -1.183 1
1 581 . 17 1 1 A 58 58 SER H H 58 9.284 8.981 0.303 1
1 582 . 17 1 1 A 58 58 SER HA H 58 3.991 4.370 -0.379 1
1 585 . 17 1 1 A 58 58 SER C C 58 176.248 176.568 -0.320 1
1 586 . 17 1 1 A 58 58 SER CA C 58 63.050 61.446 1.604 1
1 587 . 17 1 1 A 58 58 SER CB C 58 63.339 63.024 0.315 1
1 588 . 17 1 1 A 58 58 SER N N 58 123.478 121.430 2.048 1
1 589 . 17 1 1 A 59 59 ARG H H 59 8.639 7.865 0.774 1
1 590 . 17 1 1 A 59 59 ARG HA H 59 4.073 4.157 -0.084 1
1 597 . 17 1 1 A 59 59 ARG C C 59 180.693 179.271 1.422 1
1 598 . 17 1 1 A 59 59 ARG CA C 59 58.787 58.869 -0.082 1
1 599 . 17 1 1 A 59 59 ARG CB C 59 29.824 29.900 -0.076 1
1 602 . 17 1 1 A 59 59 ARG N N 59 123.207 122.987 0.220 1
1 603 . 17 1 1 A 60 60 LEU H H 60 7.460 8.029 -0.569 1
1 604 . 17 1 1 A 60 60 LEU HA H 60 3.841 3.901 -0.060 1
1 614 . 17 1 1 A 60 60 LEU C C 60 177.018 177.365 -0.347 1
1 615 . 17 1 1 A 60 60 LEU CA C 60 56.556 57.074 -0.518 1
1 616 . 17 1 1 A 60 60 LEU CB C 60 41.013 41.102 -0.089 1
1 620 . 17 1 1 A 60 60 LEU N N 60 120.191 118.844 1.347 1
1 621 . 17 1 1 A 61 61 TYR H H 61 7.200 7.733 -0.533 1
1 622 . 17 1 1 A 61 61 TYR HA H 61 4.781 4.680 0.101 1
1 629 . 17 1 1 A 61 61 TYR C C 61 175.303 175.781 -0.478 1
1 630 . 17 1 1 A 61 61 TYR CA C 61 56.371 57.911 -1.540 1
1 631 . 17 1 1 A 61 61 TYR CB C 61 38.825 39.117 -0.292 1
1 636 . 17 1 1 A 61 61 TYR N N 61 114.720 116.594 -1.874 1
1 637 . 17 1 1 A 62 62 GLY H H 62 7.354 8.088 -0.734 1
1 638 . 17 1 1 A 62 62 GLY HA2 H 62 3.968 3.848 0.120 1
1 639 . 17 1 1 A 62 62 GLY HA3 H 62 3.552 3.898 -0.346 1
1 640 . 17 1 1 A 62 62 GLY C C 62 173.542 173.406 0.136 1
1 641 . 17 1 1 A 62 62 GLY CA C 62 44.889 46.128 -1.239 1
1 642 . 17 1 1 A 62 62 GLY N N 62 104.100 109.296 -5.196 1
1 643 . 17 1 1 A 63 63 TYR H H 63 7.377 7.951 -0.574 1
1 644 . 17 1 1 A 63 63 TYR HA H 63 4.937 5.013 -0.076 1
1 651 . 17 1 1 A 63 63 TYR C C 63 175.675 176.066 -0.391 1
1 652 . 17 1 1 A 63 63 TYR CA C 63 56.902 56.786 0.116 1
1 653 . 17 1 1 A 63 63 TYR CB C 63 42.609 41.799 0.810 1
1 658 . 17 1 1 A 63 63 TYR N N 63 117.874 118.608 -0.734 1
1 659 . 17 1 1 A 64 64 LYS H H 64 9.403 8.876 0.527 1
1 660 . 17 1 1 A 64 64 LYS HA H 64 3.914 4.202 -0.288 1
1 669 . 17 1 1 A 64 64 LYS C C 64 176.334 176.620 -0.286 1
1 670 . 17 1 1 A 64 64 LYS CA C 64 59.534 58.331 1.203 1
1 671 . 17 1 1 A 64 64 LYS CB C 64 32.892 32.903 -0.011 1
1 675 . 17 1 1 A 64 64 LYS N N 64 123.946 123.426 0.520 1
1 676 . 17 1 1 A 65 65 LYS H H 65 7.635 7.575 0.060 1
1 677 . 17 1 1 A 65 65 LYS HA H 65 4.787 4.871 -0.084 1
1 686 . 17 1 1 A 65 65 LYS C C 65 177.231 176.581 0.650 1
1 687 . 17 1 1 A 65 65 LYS CA C 65 54.089 55.072 -0.983 1
1 688 . 17 1 1 A 65 65 LYS CB C 65 35.722 34.138 1.584 1
1 692 . 17 1 1 A 65 65 LYS N N 65 112.461 114.751 -2.290 1
1 693 . 17 1 1 A 66 66 LEU H H 66 9.090 8.785 0.305 1
1 694 . 17 1 1 A 66 66 LEU HA H 66 4.240 4.082 0.158 1
1 704 . 17 1 1 A 66 66 LEU C C 66 178.820 178.731 0.089 1
1 705 . 17 1 1 A 66 66 LEU CA C 66 58.129 58.095 0.034 1
1 706 . 17 1 1 A 66 66 LEU CB C 66 41.476 41.403 0.073 1
1 710 . 17 1 1 A 66 66 LEU N N 66 124.584 121.635 2.949 1
1 711 . 17 1 1 A 67 67 SER H H 67 8.867 7.978 0.889 1
1 712 . 17 1 1 A 67 67 SER HA H 67 3.697 4.078 -0.381 1
1 715 . 17 1 1 A 67 67 SER C C 67 175.588 175.904 -0.316 1
1 716 . 17 1 1 A 67 67 SER CA C 67 61.518 62.104 -0.586 1
1 717 . 17 1 1 A 67 67 SER CB C 67 61.537 62.745 -1.208 1
1 718 . 17 1 1 A 67 67 SER N N 67 112.095 115.742 -3.647 1
1 719 . 17 1 1 A 68 68 ASP H H 68 6.783 7.879 -1.096 1
1 720 . 17 1 1 A 68 68 ASP HA H 68 4.356 4.441 -0.085 1
1 723 . 17 1 1 A 68 68 ASP C C 68 177.827 178.290 -0.463 1
1 724 . 17 1 1 A 68 68 ASP CA C 68 57.170 56.683 0.487 1
1 725 . 17 1 1 A 68 68 ASP CB C 68 41.380 40.972 0.408 1
1 726 . 17 1 1 A 68 68 ASP N N 68 119.720 121.789 -2.069 1
1 727 . 17 1 1 A 69 69 LEU H H 69 7.153 7.406 -0.253 1
1 728 . 17 1 1 A 69 69 LEU HA H 69 2.561 3.210 -0.649 1
1 738 . 17 1 1 A 69 69 LEU C C 69 177.830 178.518 -0.688 1
1 739 . 17 1 1 A 69 69 LEU CA C 69 58.843 57.612 1.231 1
1 740 . 17 1 1 A 69 69 LEU CB C 69 42.203 41.635 0.568 1
1 744 . 17 1 1 A 69 69 LEU N N 69 122.181 120.628 1.553 1
1 745 . 17 1 1 A 70 70 VAL H H 70 8.167 8.169 -0.002 1
1 746 . 17 1 1 A 70 70 VAL HA H 70 3.509 3.720 -0.211 1
1 754 . 17 1 1 A 70 70 VAL C C 70 177.695 178.111 -0.416 1
1 755 . 17 1 1 A 70 70 VAL CA C 70 65.582 67.354 -1.772 1
1 756 . 17 1 1 A 70 70 VAL CB C 70 31.409 31.563 -0.154 1
1 759 . 17 1 1 A 70 70 VAL N N 70 116.117 119.461 -3.344 1
1 760 . 17 1 1 A 71 71 LYS H H 71 7.665 7.891 -0.226 1
1 761 . 17 1 1 A 71 71 LYS HA H 71 3.854 4.138 -0.284 1
1 770 . 17 1 1 A 71 71 LYS C C 71 177.406 177.996 -0.590 1
1 771 . 17 1 1 A 71 71 LYS CA C 71 59.175 58.756 0.419 1
1 772 . 17 1 1 A 71 71 LYS CB C 71 32.804 31.549 1.255 1
1 776 . 17 1 1 A 71 71 LYS N N 71 116.326 119.712 -3.386 1
1 777 . 17 1 1 A 72 72 ALA H H 72 7.506 7.590 -0.084 1
1 778 . 17 1 1 A 72 72 ALA HA H 72 4.391 4.254 0.137 1
1 782 . 17 1 1 A 72 72 ALA C C 72 180.756 177.667 3.089 1
1 783 . 17 1 1 A 72 72 ALA CA C 72 53.691 53.322 0.369 1
1 784 . 17 1 1 A 72 72 ALA CB C 72 20.243 19.081 1.162 1
1 785 . 17 1 1 A 72 72 ALA N N 72 118.313 120.698 -2.385 1
1 786 . 17 1 1 A 73 73 ARG H H 73 7.603 7.588 0.015 1
1 787 . 17 1 1 A 73 73 ARG HA H 73 4.872 4.539 0.333 1
1 795 . 17 1 1 A 73 73 ARG C C 73 177.558 176.198 1.360 1
1 796 . 17 1 1 A 73 73 ARG CA C 73 51.230 54.833 -3.603 1
1 797 . 17 1 1 A 73 73 ARG CB C 73 25.568 29.558 -3.990 1
1 800 . 17 1 1 A 73 73 ARG N N 73 118.690 117.466 1.224 1
1 802 . 17 1 1 A 74 74 THR H H 74 8.261 7.875 0.386 1
1 803 . 17 1 1 A 74 74 THR HA H 74 4.552 4.362 0.190 1
1 808 . 17 1 1 A 74 74 THR C C 74 174.706 176.048 -1.342 1
1 809 . 17 1 1 A 74 74 THR CA C 74 62.876 65.331 -2.455 1
1 810 . 17 1 1 A 74 74 THR CB C 74 68.716 68.139 0.577 1
1 812 . 17 1 1 A 74 74 THR N N 74 115.950 113.019 2.931 1
1 813 . 17 1 1 A 75 75 ASP H H 75 9.542 8.216 1.326 1
1 814 . 17 1 1 A 75 75 ASP HA H 75 4.310 4.294 0.016 1
1 817 . 17 1 1 A 75 75 ASP C C 75 175.958 177.247 -1.289 1
1 818 . 17 1 1 A 75 75 ASP CA C 75 54.476 57.209 -2.733 1
1 819 . 17 1 1 A 75 75 ASP CB C 75 38.969 42.234 -3.265 1
1 820 . 17 1 1 A 75 75 ASP N N 75 116.582 121.397 -4.815 1
1 821 . 17 1 1 A 76 76 LEU H H 76 7.078 7.400 -0.322 1
1 822 . 17 1 1 A 76 76 LEU HA H 76 4.225 4.014 0.211 1
1 832 . 17 1 1 A 76 76 LEU C C 76 177.244 176.212 1.032 1
1 833 . 17 1 1 A 76 76 LEU CA C 76 55.349 55.757 -0.408 1
1 834 . 17 1 1 A 76 76 LEU CB C 76 43.508 43.112 0.396 1
1 838 . 17 1 1 A 76 76 LEU N N 76 117.639 117.388 0.251 1
1 839 . 17 1 1 A 77 77 PHE H H 77 7.977 7.838 0.139 1
1 840 . 17 1 1 A 77 77 PHE HA H 77 5.648 5.128 0.520 1
1 848 . 17 1 1 A 77 77 PHE C C 77 175.868 174.318 1.550 1
1 849 . 17 1 1 A 77 77 PHE CA C 77 54.878 56.385 -1.507 1
1 850 . 17 1 1 A 77 77 PHE CB C 77 42.833 42.498 0.335 1
1 856 . 17 1 1 A 77 77 PHE N N 77 115.989 115.332 0.657 1
1 857 . 17 1 1 A 78 78 VAL H H 78 8.863 8.979 -0.116 1
1 858 . 17 1 1 A 78 78 VAL HA H 78 4.425 4.536 -0.111 1
1 866 . 17 1 1 A 78 78 VAL C C 78 175.288 175.421 -0.133 1
1 867 . 17 1 1 A 78 78 VAL CA C 78 61.575 62.199 -0.624 1
1 868 . 17 1 1 A 78 78 VAL CB C 78 33.988 31.983 2.005 1
1 871 . 17 1 1 A 78 78 VAL N N 78 123.339 123.298 0.041 1
1 872 . 17 1 1 A 79 79 THR H H 79 8.305 8.964 -0.659 1
1 873 . 17 1 1 A 79 79 THR HA H 79 5.882 5.558 0.324 1
1 878 . 17 1 1 A 79 79 THR C C 79 174.566 173.847 0.719 1
1 879 . 17 1 1 A 79 79 THR CA C 79 59.476 60.548 -1.072 1
1 880 . 17 1 1 A 79 79 THR CB C 79 73.090 70.888 2.202 1
1 882 . 17 1 1 A 79 79 THR N N 79 113.057 119.318 -6.261 1
1 883 . 17 1 1 A 80 80 GLU H H 80 8.962 8.548 0.414 1
1 884 . 17 1 1 A 80 80 GLU HA H 80 4.589 4.938 -0.349 1
1 889 . 17 1 1 A 80 80 GLU C C 80 174.040 175.806 -1.766 1
1 890 . 17 1 1 A 80 80 GLU CA C 80 55.878 55.172 0.706 1
1 891 . 17 1 1 A 80 80 GLU CB C 80 33.399 34.066 -0.667 1
1 893 . 17 1 1 A 80 80 GLU N N 80 117.934 122.869 -4.935 1
1 894 . 17 1 1 A 81 81 GLU H H 81 8.687 8.773 -0.086 1
1 895 . 17 1 1 A 81 81 GLU HA H 81 5.213 4.751 0.462 1
1 900 . 17 1 1 A 81 81 GLU C C 81 176.406 175.365 1.041 1
1 901 . 17 1 1 A 81 81 GLU CA C 81 55.186 56.156 -0.970 1
1 902 . 17 1 1 A 81 81 GLU CB C 81 31.544 30.670 0.874 1
1 904 . 17 1 1 A 81 81 GLU N N 81 122.400 122.771 -0.371 1
1 905 . 17 1 1 A 82 82 ARG H H 82 9.118 9.193 -0.075 1
1 906 . 17 1 1 A 82 82 ARG HA H 82 4.635 4.685 -0.050 1
1 914 . 17 1 1 A 82 82 ARG C C 82 175.222 174.724 0.498 1
1 915 . 17 1 1 A 82 82 ARG CA C 82 54.746 54.393 0.353 1
1 916 . 17 1 1 A 82 82 ARG CB C 82 33.719 33.282 0.437 1
1 919 . 17 1 1 A 82 82 ARG N N 82 121.851 124.809 -2.958 1
1 921 . 17 1 1 A 83 83 GLN H H 83 8.642 8.607 0.035 1
1 922 . 17 1 1 A 83 83 GLN HA H 83 4.340 4.652 -0.312 1
1 927 . 17 1 1 A 83 83 GLN C C 83 175.705 175.509 0.196 1
1 928 . 17 1 1 A 83 83 GLN CA C 83 56.094 55.691 0.403 1
1 929 . 17 1 1 A 83 83 GLN CB C 83 29.424 29.514 -0.090 1
1 931 . 17 1 1 A 83 83 GLN N N 83 121.976 124.476 -2.500 1
1 932 . 17 1 1 A 84 84 VAL H H 84 8.818 8.110 0.708 1
1 933 . 17 1 1 A 84 84 VAL HA H 84 4.399 4.488 -0.089 1
1 941 . 17 1 1 A 84 84 VAL C C 84 174.439 174.537 -0.098 1
1 942 . 17 1 1 A 84 84 VAL CA C 84 59.977 59.365 0.612 1
1 943 . 17 1 1 A 84 84 VAL CB C 84 32.948 32.005 0.943 1
1 946 . 17 1 1 A 84 84 VAL N N 84 128.548 126.285 2.263 1
1 947 . 17 1 1 A 85 85 PRO HA H 85 4.313 4.247 0.066 1
1 954 . 17 1 1 A 85 85 PRO C C 85 178.026 177.310 0.716 1
1 955 . 17 1 1 A 85 85 PRO CA C 85 64.139 64.262 -0.123 1
1 956 . 17 1 1 A 85 85 PRO CB C 85 31.744 31.485 0.259 1
1 959 . 17 1 1 A 86 86 GLY H H 86 8.815 8.799 0.016 1
1 960 . 17 1 1 A 86 86 GLY HA2 H 86 3.751 3.881 -0.130 1
1 961 . 17 1 1 A 86 86 GLY HA3 H 86 4.148 3.884 0.264 1
1 962 . 17 1 1 A 86 86 GLY C C 86 173.673 173.375 0.298 1
1 963 . 17 1 1 A 86 86 GLY CA C 86 45.661 45.178 0.483 1
1 964 . 17 1 1 A 86 86 GLY N N 86 111.839 113.415 -1.576 1
1 965 . 17 1 1 A 87 87 SER H H 87 8.029 7.907 0.122 1
1 966 . 17 1 1 A 87 87 SER HA H 87 4.955 4.699 0.256 1
1 969 . 17 1 1 A 87 87 SER C C 87 174.293 173.924 0.369 1
1 970 . 17 1 1 A 87 87 SER CA C 87 56.119 57.695 -1.576 1
1 971 . 17 1 1 A 87 87 SER CB C 87 65.288 65.210 0.078 1
1 972 . 17 1 1 A 87 87 SER N N 87 114.255 116.402 -2.147 1
1 973 . 17 1 1 A 88 88 THR H H 88 8.366 8.415 -0.049 1
1 974 . 17 1 1 A 88 88 THR HA H 88 4.438 4.323 0.115 1
1 979 . 17 1 1 A 88 88 THR C C 88 175.360 174.430 0.930 1
1 980 . 17 1 1 A 88 88 THR CA C 88 62.103 63.713 -1.610 1
1 981 . 17 1 1 A 88 88 THR CB C 88 69.017 69.415 -0.398 1
1 983 . 17 1 1 A 88 88 THR N N 88 112.921 119.646 -6.725 1
1 984 . 17 1 1 A 89 89 GLN H H 89 8.342 7.550 0.792 1
1 985 . 17 1 1 A 89 89 GLN HA H 89 4.382 4.405 -0.023 1
1 990 . 17 1 1 A 89 89 GLN C C 89 175.462 175.565 -0.103 1
1 991 . 17 1 1 A 89 89 GLN CA C 89 55.599 55.442 0.157 1
1 992 . 17 1 1 A 89 89 GLN CB C 89 30.016 29.834 0.182 1
1 994 . 17 1 1 A 89 89 GLN N N 89 122.086 117.434 4.652 1
1 995 . 17 1 1 A 90 90 LYS H H 90 8.584 8.512 0.072 1
1 996 . 17 1 1 A 90 90 LYS HA H 90 4.779 4.885 -0.106 1
1 1005 . 17 1 1 A 90 90 LYS C C 90 175.897 175.372 0.525 1
1 1006 . 17 1 1 A 90 90 LYS CA C 90 55.590 55.530 0.060 1
1 1007 . 17 1 1 A 90 90 LYS CB C 90 34.742 34.119 0.623 1
1 1011 . 17 1 1 A 90 90 LYS N N 90 121.945 119.759 2.186 1
1 1012 . 17 1 1 A 91 91 ALA H H 91 8.975 9.042 -0.067 1
1 1013 . 17 1 1 A 91 91 ALA HA H 91 4.738 5.195 -0.457 1
1 1017 . 17 1 1 A 91 91 ALA C C 91 175.585 175.207 0.378 1
1 1018 . 17 1 1 A 91 91 ALA CA C 91 50.741 50.401 0.340 1
1 1019 . 17 1 1 A 91 91 ALA CB C 91 22.890 22.669 0.221 1
1 1020 . 17 1 1 A 91 91 ALA N N 91 124.604 122.057 2.547 1
1 1021 . 17 1 1 A 92 92 LEU H H 92 8.523 8.518 0.005 1
1 1022 . 17 1 1 A 92 92 LEU HA H 92 4.707 4.751 -0.044 1
1 1032 . 17 1 1 A 92 92 LEU C C 92 174.752 174.140 0.612 1
1 1033 . 17 1 1 A 92 92 LEU CA C 92 55.285 54.457 0.828 1
1 1034 . 17 1 1 A 92 92 LEU CB C 92 43.267 42.887 0.380 1
1 1038 . 17 1 1 A 92 92 LEU N N 92 123.888 124.808 -0.920 1
1 1039 . 17 1 1 A 93 93 TYR H H 93 9.289 8.918 0.371 1
1 1040 . 17 1 1 A 93 93 TYR HA H 93 5.269 5.349 -0.080 1
1 1047 . 17 1 1 A 93 93 TYR C C 93 174.528 175.860 -1.332 1
1 1048 . 17 1 1 A 93 93 TYR CA C 93 56.505 57.235 -0.730 1
1 1049 . 17 1 1 A 93 93 TYR CB C 93 41.881 41.177 0.704 1
1 1054 . 17 1 1 A 93 93 TYR N N 93 126.872 127.694 -0.822 1
1 1055 . 17 1 1 A 94 94 LEU H H 94 9.551 9.055 0.496 1
1 1056 . 17 1 1 A 94 94 LEU HA H 94 5.869 5.347 0.522 1
1 1066 . 17 1 1 A 94 94 LEU C C 94 173.433 174.943 -1.510 1
1 1067 . 17 1 1 A 94 94 LEU CA C 94 54.131 53.374 0.757 1
1 1068 . 17 1 1 A 94 94 LEU CB C 94 46.320 45.524 0.796 1
1 1072 . 17 1 1 A 94 94 LEU N N 94 117.884 122.917 -5.033 1
1 1073 . 17 1 1 A 95 95 ARG H H 95 8.603 8.685 -0.082 1
1 1074 . 17 1 1 A 95 95 ARG HA H 95 4.707 4.753 -0.046 1
1 1082 . 17 1 1 A 95 95 ARG C C 95 174.605 174.427 0.178 1
1 1083 . 17 1 1 A 95 95 ARG CA C 95 53.795 53.695 0.100 1
1 1084 . 17 1 1 A 95 95 ARG CB C 95 33.468 33.330 0.138 1
1 1087 . 17 1 1 A 95 95 ARG N N 95 116.939 120.562 -3.623 1
1 1089 . 17 1 1 A 96 96 ALA H H 96 9.072 8.455 0.617 1
1 1090 . 17 1 1 A 96 96 ALA HA H 96 4.404 4.376 0.028 1
1 1094 . 17 1 1 A 96 96 ALA C C 96 177.811 176.849 0.962 1
1 1095 . 17 1 1 A 96 96 ALA CA C 96 52.324 52.003 0.321 1
1 1096 . 17 1 1 A 96 96 ALA CB C 96 18.248 19.131 -0.883 1
1 1097 . 17 1 1 A 96 96 ALA N N 96 124.914 123.895 1.019 1
1 1098 . 17 1 1 A 97 97 LYS H H 97 7.989 7.977 0.012 1
1 1099 . 17 1 1 A 97 97 LYS HA H 97 3.922 4.442 -0.520 1
1 1108 . 17 1 1 A 97 97 LYS C C 97 175.978 175.396 0.582 1
1 1109 . 17 1 1 A 97 97 LYS CA C 97 56.915 56.487 0.428 1
1 1110 . 17 1 1 A 97 97 LYS CB C 97 32.864 32.824 0.040 1
1 1114 . 17 1 1 A 97 97 LYS N N 97 123.129 122.896 0.233 1
1 1115 . 17 1 1 A 98 98 LEU H H 98 8.118 8.979 -0.861 1
1 1116 . 17 1 1 A 98 98 LEU HA H 98 4.321 4.618 -0.297 1
1 1126 . 17 1 1 A 98 98 LEU C C 98 176.592 176.390 0.202 1
1 1127 . 17 1 1 A 98 98 LEU CA C 98 54.627 53.499 1.128 1
1 1128 . 17 1 1 A 98 98 LEU CB C 98 42.566 43.135 -0.569 1
1 1132 . 17 1 1 A 98 98 LEU N N 98 123.816 128.602 -4.786 1
1 1133 . 17 1 1 A 99 99 GLU H H 99 8.376 8.451 -0.075 1
1 1134 . 17 1 1 A 99 99 GLU C C 99 175.790 176.105 -0.315 1
1 1 . 18 1 1 A 5 5 SER H H 5 8.350 8.630 -0.280 1
1 2 . 18 1 1 A 5 5 SER N N 5 116.816 116.826 -0.010 1
1 3 . 18 1 1 A 9 9 GLN H H 9 8.479 8.374 0.105 1
1 4 . 18 1 1 A 9 9 GLN N N 9 121.973 123.244 -1.271 1
1 5 . 18 1 1 A 10 10 PRO HA H 10 4.392 4.532 -0.140 1
1 8 . 18 1 1 A 10 10 PRO C C 10 176.702 176.314 0.388 1
1 9 . 18 1 1 A 10 10 PRO CA C 10 63.029 62.823 0.206 1
1 10 . 18 1 1 A 10 10 PRO CB C 10 32.056 32.339 -0.283 1
1 11 . 18 1 1 A 11 11 ALA H H 11 8.421 8.258 0.163 1
1 12 . 18 1 1 A 11 11 ALA HA H 11 4.254 4.597 -0.343 1
1 16 . 18 1 1 A 11 11 ALA C C 11 177.592 177.864 -0.272 1
1 17 . 18 1 1 A 11 11 ALA CA C 11 52.405 50.332 2.073 1
1 18 . 18 1 1 A 11 11 ALA CB C 11 19.242 20.876 -1.634 1
1 19 . 18 1 1 A 11 11 ALA N N 11 124.566 122.478 2.088 1
1 20 . 18 1 1 A 12 12 ALA H H 12 8.297 8.273 0.024 1
1 21 . 18 1 1 A 12 12 ALA HA H 12 4.278 4.553 -0.275 1
1 25 . 18 1 1 A 12 12 ALA C C 12 177.607 177.496 0.111 1
1 26 . 18 1 1 A 12 12 ALA CA C 12 52.402 51.601 0.801 1
1 27 . 18 1 1 A 12 12 ALA CB C 12 19.397 19.368 0.029 1
1 28 . 18 1 1 A 12 12 ALA N N 12 123.470 118.205 5.265 1
1 29 . 18 1 1 A 13 13 GLN H H 13 8.302 7.566 0.736 1
1 30 . 18 1 1 A 13 13 GLN HA H 13 4.304 4.488 -0.184 1
1 33 . 18 1 1 A 13 13 GLN C C 13 175.344 174.794 0.550 1
1 34 . 18 1 1 A 13 13 GLN CA C 13 55.396 55.508 -0.112 1
1 35 . 18 1 1 A 13 13 GLN CB C 13 29.738 29.417 0.321 1
1 36 . 18 1 1 A 13 13 GLN N N 13 119.718 118.032 1.686 1
1 37 . 18 1 1 A 14 14 ALA H H 14 8.405 8.529 -0.124 1
1 38 . 18 1 1 A 14 14 ALA HA H 14 4.580 4.606 -0.026 1
1 42 . 18 1 1 A 14 14 ALA C C 14 175.619 176.009 -0.390 1
1 43 . 18 1 1 A 14 14 ALA CA C 14 50.607 49.595 1.012 1
1 44 . 18 1 1 A 14 14 ALA CB C 14 18.031 19.906 -1.875 1
1 45 . 18 1 1 A 14 14 ALA N N 14 127.291 128.552 -1.261 1
1 46 . 18 1 1 A 15 15 PRO HA H 15 4.399 4.424 -0.025 1
1 49 . 18 1 1 A 15 15 PRO C C 15 177.086 175.767 1.319 1
1 50 . 18 1 1 A 15 15 PRO CA C 15 63.294 63.430 -0.136 1
1 51 . 18 1 1 A 15 15 PRO CB C 15 31.988 31.913 0.075 1
1 52 . 18 1 1 A 16 16 GLU H H 16 8.656 8.653 0.003 1
1 53 . 18 1 1 A 16 16 GLU HA H 16 4.306 4.726 -0.420 1
1 56 . 18 1 1 A 16 16 GLU C C 16 176.897 175.116 1.781 1
1 57 . 18 1 1 A 16 16 GLU CA C 16 56.771 55.315 1.456 1
1 58 . 18 1 1 A 16 16 GLU CB C 16 30.209 30.585 -0.376 1
1 59 . 18 1 1 A 16 16 GLU N N 16 120.957 123.141 -2.184 1
1 60 . 18 1 1 A 17 17 THR H H 17 8.202 8.963 -0.761 1
1 61 . 18 1 1 A 17 17 THR HA H 17 4.336 4.929 -0.593 1
1 66 . 18 1 1 A 17 17 THR C C 17 174.612 172.480 2.132 1
1 67 . 18 1 1 A 17 17 THR CA C 17 61.981 61.605 0.376 1
1 68 . 18 1 1 A 17 17 THR CB C 17 69.928 70.473 -0.545 1
1 70 . 18 1 1 A 17 17 THR N N 17 115.763 122.273 -6.510 1
1 71 . 18 1 1 A 18 18 LYS H H 18 8.373 8.986 -0.613 1
1 72 . 18 1 1 A 18 18 LYS HA H 18 4.365 5.200 -0.835 1
1 81 . 18 1 1 A 18 18 LYS C C 18 176.509 174.801 1.708 1
1 82 . 18 1 1 A 18 18 LYS CA C 18 56.348 54.236 2.112 1
1 83 . 18 1 1 A 18 18 LYS CB C 18 33.051 35.694 -2.643 1
1 87 . 18 1 1 A 18 18 LYS N N 18 123.975 128.043 -4.068 1
1 88 . 18 1 1 A 19 19 GLN H H 19 8.387 8.928 -0.541 1
1 89 . 18 1 1 A 19 19 GLN HA H 19 4.378 4.861 -0.483 1
1 96 . 18 1 1 A 19 19 GLN C C 19 175.630 174.811 0.819 1
1 97 . 18 1 1 A 19 19 GLN CA C 19 55.614 54.211 1.403 1
1 98 . 18 1 1 A 19 19 GLN CB C 19 29.749 31.310 -1.561 1
1 100 . 18 1 1 A 19 19 GLN N N 19 121.480 124.379 -2.899 1
1 102 . 18 1 1 A 20 20 ALA H H 20 8.505 8.716 -0.211 1
1 103 . 18 1 1 A 20 20 ALA HA H 20 4.449 4.862 -0.413 1
1 107 . 18 1 1 A 20 20 ALA C C 20 177.361 176.741 0.620 1
1 108 . 18 1 1 A 20 20 ALA CA C 20 52.165 51.019 1.146 1
1 109 . 18 1 1 A 20 20 ALA CB C 20 19.253 20.121 -0.868 1
1 110 . 18 1 1 A 20 20 ALA N N 20 125.974 125.874 0.100 1
1 111 . 18 1 1 A 21 21 PHE H H 21 8.851 8.928 -0.077 1
1 112 . 18 1 1 A 21 21 PHE HA H 21 4.422 5.102 -0.680 1
1 120 . 18 1 1 A 21 21 PHE C C 21 176.063 174.630 1.433 1
1 121 . 18 1 1 A 21 21 PHE CA C 21 56.142 56.553 -0.411 1
1 122 . 18 1 1 A 21 21 PHE CB C 21 39.867 39.170 0.697 1
1 128 . 18 1 1 A 21 21 PHE N N 21 124.486 122.315 2.171 1
1 129 . 18 1 1 A 22 22 PRO HA H 22 4.856 4.967 -0.111 1
1 136 . 18 1 1 A 22 22 PRO C C 22 174.848 177.322 -2.474 1
1 137 . 18 1 1 A 22 22 PRO CA C 22 62.078 62.274 -0.196 1
1 138 . 18 1 1 A 22 22 PRO CB C 22 28.563 30.527 -1.964 1
1 141 . 18 1 1 A 23 23 ARG H H 23 8.356 8.659 -0.303 1
1 142 . 18 1 1 A 23 23 ARG HA H 23 3.650 4.080 -0.430 1
1 149 . 18 1 1 A 23 23 ARG C C 23 176.762 178.341 -1.579 1
1 150 . 18 1 1 A 23 23 ARG CA C 23 60.448 58.934 1.514 1
1 151 . 18 1 1 A 23 23 ARG CB C 23 31.422 29.590 1.832 1
1 154 . 18 1 1 A 23 23 ARG N N 23 126.815 121.633 5.182 1
1 155 . 18 1 1 A 24 24 LYS H H 24 8.555 8.099 0.456 1
1 156 . 18 1 1 A 24 24 LYS HA H 24 3.926 4.029 -0.103 1
1 165 . 18 1 1 A 24 24 LYS C C 24 179.506 178.602 0.904 1
1 166 . 18 1 1 A 24 24 LYS CA C 24 59.888 58.608 1.280 1
1 167 . 18 1 1 A 24 24 LYS CB C 24 31.782 32.051 -0.269 1
1 171 . 18 1 1 A 24 24 LYS N N 24 116.573 119.041 -2.468 1
1 172 . 18 1 1 A 25 25 PHE H H 25 7.575 7.669 -0.094 1
1 173 . 18 1 1 A 25 25 PHE HA H 25 4.487 4.452 0.035 1
1 181 . 18 1 1 A 25 25 PHE C C 25 177.447 178.043 -0.596 1
1 182 . 18 1 1 A 25 25 PHE CA C 25 59.779 60.496 -0.717 1
1 183 . 18 1 1 A 25 25 PHE CB C 25 38.791 39.669 -0.878 1
1 189 . 18 1 1 A 25 25 PHE N N 25 118.123 118.107 0.016 1
1 190 . 18 1 1 A 26 26 VAL H H 26 8.024 8.413 -0.389 1
1 191 . 18 1 1 A 26 26 VAL HA H 26 3.608 3.684 -0.076 1
1 199 . 18 1 1 A 26 26 VAL C C 26 177.770 178.161 -0.391 1
1 200 . 18 1 1 A 26 26 VAL CA C 26 66.473 66.919 -0.446 1
1 201 . 18 1 1 A 26 26 VAL CB C 26 31.408 31.347 0.061 1
1 204 . 18 1 1 A 26 26 VAL N N 26 117.081 119.553 -2.472 1
1 205 . 18 1 1 A 27 27 LEU H H 27 8.220 8.566 -0.346 1
1 206 . 18 1 1 A 27 27 LEU HA H 27 4.234 4.119 0.115 1
1 216 . 18 1 1 A 27 27 LEU C C 27 180.010 179.244 0.766 1
1 217 . 18 1 1 A 27 27 LEU CA C 27 57.864 57.641 0.223 1
1 218 . 18 1 1 A 27 27 LEU CB C 27 40.488 40.544 -0.056 1
1 222 . 18 1 1 A 27 27 LEU N N 27 118.748 117.977 0.771 1
1 223 . 18 1 1 A 28 28 ALA H H 28 8.014 8.327 -0.313 1
1 224 . 18 1 1 A 28 28 ALA HA H 28 4.289 4.297 -0.008 1
1 228 . 18 1 1 A 28 28 ALA C C 28 179.951 179.626 0.325 1
1 229 . 18 1 1 A 28 28 ALA CA C 28 55.110 55.532 -0.422 1
1 230 . 18 1 1 A 28 28 ALA CB C 28 17.970 17.875 0.095 1
1 231 . 18 1 1 A 28 28 ALA N N 28 124.088 122.267 1.821 1
1 232 . 18 1 1 A 29 29 ALA H H 29 8.259 8.197 0.062 1
1 233 . 18 1 1 A 29 29 ALA HA H 29 3.942 4.529 -0.587 1
1 237 . 18 1 1 A 29 29 ALA C C 29 180.505 180.291 0.214 1
1 238 . 18 1 1 A 29 29 ALA CA C 29 54.976 55.264 -0.288 1
1 239 . 18 1 1 A 29 29 ALA CB C 29 17.923 18.168 -0.245 1
1 240 . 18 1 1 A 29 29 ALA N N 29 120.431 120.878 -0.447 1
1 241 . 18 1 1 A 30 30 LEU H H 30 8.098 8.312 -0.214 1
1 242 . 18 1 1 A 30 30 LEU HA H 30 4.007 4.285 -0.278 1
1 252 . 18 1 1 A 30 30 LEU C C 30 178.315 178.405 -0.090 1
1 253 . 18 1 1 A 30 30 LEU CA C 30 58.096 58.257 -0.161 1
1 254 . 18 1 1 A 30 30 LEU CB C 30 41.486 41.431 0.055 1
1 258 . 18 1 1 A 30 30 LEU N N 30 120.849 120.923 -0.074 1
1 259 . 18 1 1 A 31 31 GLU H H 31 8.115 8.829 -0.714 1
1 260 . 18 1 1 A 31 31 GLU HA H 31 3.967 4.181 -0.214 1
1 265 . 18 1 1 A 31 31 GLU C C 31 179.473 178.255 1.218 1
1 266 . 18 1 1 A 31 31 GLU CA C 31 59.683 58.662 1.021 1
1 267 . 18 1 1 A 31 31 GLU CB C 31 29.402 28.306 1.096 1
1 269 . 18 1 1 A 31 31 GLU N N 31 120.752 117.464 3.288 1
1 270 . 18 1 1 A 32 32 GLN H H 32 7.812 7.551 0.261 1
1 271 . 18 1 1 A 32 32 GLN HA H 32 4.001 4.079 -0.078 1
1 278 . 18 1 1 A 32 32 GLN C C 32 176.519 177.745 -1.226 1
1 279 . 18 1 1 A 32 32 GLN CA C 32 57.576 58.536 -0.960 1
1 280 . 18 1 1 A 32 32 GLN CB C 32 29.108 28.441 0.667 1
1 282 . 18 1 1 A 32 32 GLN N N 32 114.711 119.062 -4.351 1
1 284 . 18 1 1 A 33 33 SER H H 33 7.460 7.790 -0.330 1
1 285 . 18 1 1 A 33 33 SER HA H 33 4.257 4.422 -0.165 1
1 288 . 18 1 1 A 33 33 SER C C 33 174.508 174.783 -0.275 1
1 289 . 18 1 1 A 33 33 SER CA C 33 58.504 58.924 -0.420 1
1 290 . 18 1 1 A 33 33 SER CB C 33 65.131 62.908 2.223 1
1 291 . 18 1 1 A 33 33 SER N N 33 110.604 113.193 -2.589 1
1 292 . 18 1 1 A 34 34 SER H H 34 7.429 7.693 -0.264 1
1 293 . 18 1 1 A 34 34 SER HA H 34 4.468 4.359 0.109 1
1 296 . 18 1 1 A 34 34 SER C C 34 174.588 174.178 0.410 1
1 297 . 18 1 1 A 34 34 SER CA C 34 58.556 59.787 -1.231 1
1 298 . 18 1 1 A 34 34 SER CB C 34 65.278 63.757 1.521 1
1 299 . 18 1 1 A 34 34 SER N N 34 117.544 118.623 -1.079 1
1 300 . 18 1 1 A 35 35 ASP H H 35 8.822 9.521 -0.699 1
1 301 . 18 1 1 A 35 35 ASP HA H 35 4.778 4.912 -0.134 1
1 304 . 18 1 1 A 35 35 ASP C C 35 178.268 177.568 0.700 1
1 305 . 18 1 1 A 35 35 ASP CA C 35 52.849 53.846 -0.997 1
1 306 . 18 1 1 A 35 35 ASP CB C 35 41.314 41.969 -0.655 1
1 307 . 18 1 1 A 35 35 ASP N N 35 121.575 124.417 -2.842 1
1 308 . 18 1 1 A 36 36 ASP H H 36 8.483 8.954 -0.471 1
1 309 . 18 1 1 A 36 36 ASP HA H 36 4.414 4.303 0.111 1
1 312 . 18 1 1 A 36 36 ASP C C 36 176.670 177.180 -0.510 1
1 313 . 18 1 1 A 36 36 ASP CA C 36 56.605 56.610 -0.005 1
1 314 . 18 1 1 A 36 36 ASP CB C 36 40.286 40.573 -0.287 1
1 315 . 18 1 1 A 36 36 ASP N N 36 117.398 122.419 -5.021 1
1 316 . 18 1 1 A 37 37 ALA H H 37 8.242 7.613 0.629 1
1 317 . 18 1 1 A 37 37 ALA HA H 37 4.532 4.478 0.054 1
1 321 . 18 1 1 A 37 37 ALA C C 37 177.407 177.645 -0.238 1
1 322 . 18 1 1 A 37 37 ALA CA C 37 51.677 51.800 -0.123 1
1 323 . 18 1 1 A 37 37 ALA CB C 37 19.774 19.984 -0.210 1
1 324 . 18 1 1 A 37 37 ALA N N 37 122.052 118.958 3.094 1
1 325 . 18 1 1 A 38 38 GLY H H 38 8.155 8.949 -0.794 1
1 326 . 18 1 1 A 38 38 GLY HA2 H 38 3.624 3.823 -0.199 1
1 327 . 18 1 1 A 38 38 GLY HA3 H 38 4.080 3.842 0.238 1
1 328 . 18 1 1 A 38 38 GLY C C 38 173.417 173.448 -0.031 1
1 329 . 18 1 1 A 38 38 GLY CA C 38 45.093 45.858 -0.765 1
1 330 . 18 1 1 A 38 38 GLY N N 38 107.721 107.959 -0.238 1
1 331 . 18 1 1 A 39 39 TRP H H 39 8.449 7.991 0.458 1
1 332 . 18 1 1 A 39 39 TRP HA H 39 5.054 5.215 -0.161 1
1 341 . 18 1 1 A 39 39 TRP C C 39 176.577 175.378 1.199 1
1 342 . 18 1 1 A 39 39 TRP CA C 39 56.596 55.770 0.826 1
1 343 . 18 1 1 A 39 39 TRP CB C 39 32.184 33.533 -1.349 1
1 349 . 18 1 1 A 39 39 TRP N N 39 119.797 119.475 0.322 1
1 351 . 18 1 1 A 40 40 ALA H H 40 9.855 9.172 0.683 1
1 352 . 18 1 1 A 40 40 ALA HA H 40 5.099 5.274 -0.175 1
1 356 . 18 1 1 A 40 40 ALA C C 40 176.165 176.528 -0.363 1
1 357 . 18 1 1 A 40 40 ALA CA C 40 50.202 50.440 -0.238 1
1 358 . 18 1 1 A 40 40 ALA CB C 40 23.153 21.089 2.064 1
1 359 . 18 1 1 A 40 40 ALA N N 40 124.618 125.894 -1.276 1
1 360 . 18 1 1 A 41 41 ASN H H 41 8.794 8.560 0.234 1
1 361 . 18 1 1 A 41 41 ASN HA H 41 3.771 3.991 -0.220 1
1 366 . 18 1 1 A 41 41 ASN C C 41 175.824 176.333 -0.509 1
1 367 . 18 1 1 A 41 41 ASN CA C 41 52.724 53.183 -0.459 1
1 368 . 18 1 1 A 41 41 ASN CB C 41 39.927 39.667 0.260 1
1 369 . 18 1 1 A 41 41 ASN N N 41 121.050 121.165 -0.115 1
1 371 . 18 1 1 A 42 42 LEU H H 42 8.493 8.693 -0.200 1
1 372 . 18 1 1 A 42 42 LEU HA H 42 3.834 4.081 -0.247 1
1 382 . 18 1 1 A 42 42 LEU C C 42 178.256 178.929 -0.673 1
1 383 . 18 1 1 A 42 42 LEU CA C 42 58.859 58.385 0.474 1
1 384 . 18 1 1 A 42 42 LEU CB C 42 42.233 41.947 0.286 1
1 388 . 18 1 1 A 42 42 LEU N N 42 126.418 129.054 -2.636 1
1 389 . 18 1 1 A 43 43 GLY H H 43 8.440 8.192 0.248 1
1 390 . 18 1 1 A 43 43 GLY HA2 H 43 3.912 3.766 0.146 1
1 391 . 18 1 1 A 43 43 GLY HA3 H 43 3.822 3.778 0.044 1
1 392 . 18 1 1 A 43 43 GLY C C 43 176.344 176.113 0.231 1
1 393 . 18 1 1 A 43 43 GLY CA C 43 47.070 47.287 -0.217 1
1 394 . 18 1 1 A 43 43 GLY N N 43 106.800 106.449 0.351 1
1 395 . 18 1 1 A 44 44 ASN H H 44 7.916 7.917 -0.001 1
1 396 . 18 1 1 A 44 44 ASN HA H 44 4.472 4.478 -0.006 1
1 401 . 18 1 1 A 44 44 ASN C C 44 177.888 177.831 0.057 1
1 402 . 18 1 1 A 44 44 ASN CA C 44 56.004 55.929 0.075 1
1 403 . 18 1 1 A 44 44 ASN CB C 44 38.316 37.702 0.614 1
1 404 . 18 1 1 A 44 44 ASN N N 44 121.472 119.879 1.593 1
1 406 . 18 1 1 A 45 45 PHE H H 45 8.563 8.512 0.051 1
1 407 . 18 1 1 A 45 45 PHE HA H 45 4.498 4.214 0.284 1
1 415 . 18 1 1 A 45 45 PHE C C 45 176.732 178.037 -1.305 1
1 416 . 18 1 1 A 45 45 PHE CA C 45 60.350 60.891 -0.541 1
1 417 . 18 1 1 A 45 45 PHE CB C 45 38.824 39.398 -0.574 1
1 423 . 18 1 1 A 45 45 PHE N N 45 121.835 122.200 -0.365 1
1 424 . 18 1 1 A 46 46 GLY H H 46 8.933 8.826 0.107 1
1 425 . 18 1 1 A 46 46 GLY HA2 H 46 3.820 3.314 0.506 1
1 426 . 18 1 1 A 46 46 GLY HA3 H 46 3.186 3.574 -0.388 1
1 427 . 18 1 1 A 46 46 GLY C C 46 176.053 175.490 0.563 1
1 428 . 18 1 1 A 46 46 GLY CA C 46 47.171 46.827 0.344 1
1 429 . 18 1 1 A 46 46 GLY N N 46 106.269 106.612 -0.343 1
1 430 . 18 1 1 A 47 47 ASN H H 47 7.812 8.394 -0.582 1
1 431 . 18 1 1 A 47 47 ASN HA H 47 4.470 4.384 0.086 1
1 436 . 18 1 1 A 47 47 ASN C C 47 178.087 177.352 0.735 1
1 437 . 18 1 1 A 47 47 ASN CA C 47 55.974 56.229 -0.255 1
1 438 . 18 1 1 A 47 47 ASN CB C 47 38.149 39.307 -1.158 1
1 439 . 18 1 1 A 47 47 ASN N N 47 120.030 120.160 -0.130 1
1 441 . 18 1 1 A 48 48 TYR H H 48 8.093 7.796 0.297 1
1 442 . 18 1 1 A 48 48 TYR HA H 48 4.007 4.161 -0.154 1
1 449 . 18 1 1 A 48 48 TYR C C 48 178.310 177.473 0.837 1
1 450 . 18 1 1 A 48 48 TYR CA C 48 62.527 60.489 2.038 1
1 451 . 18 1 1 A 48 48 TYR CB C 48 38.254 39.006 -0.752 1
1 456 . 18 1 1 A 48 48 TYR N N 48 121.030 119.994 1.036 1
1 457 . 18 1 1 A 49 49 LEU H H 49 8.480 8.289 0.191 1
1 458 . 18 1 1 A 49 49 LEU HA H 49 3.624 3.907 -0.283 1
1 468 . 18 1 1 A 49 49 LEU C C 49 177.653 178.361 -0.708 1
1 469 . 18 1 1 A 49 49 LEU CA C 49 58.321 58.169 0.152 1
1 470 . 18 1 1 A 49 49 LEU CB C 49 41.046 41.397 -0.351 1
1 474 . 18 1 1 A 49 49 LEU N N 49 121.024 120.864 0.160 1
1 475 . 18 1 1 A 50 50 ASN H H 50 7.564 7.878 -0.314 1
1 476 . 18 1 1 A 50 50 ASN HA H 50 4.493 4.572 -0.079 1
1 481 . 18 1 1 A 50 50 ASN C C 50 176.498 177.508 -1.010 1
1 482 . 18 1 1 A 50 50 ASN CA C 50 55.479 55.942 -0.463 1
1 483 . 18 1 1 A 50 50 ASN CB C 50 39.302 39.091 0.211 1
1 484 . 18 1 1 A 50 50 ASN N N 50 114.582 116.894 -2.312 1
1 486 . 18 1 1 A 51 51 LYS H H 51 7.370 7.783 -0.413 1
1 487 . 18 1 1 A 51 51 LYS HA H 51 3.990 3.940 0.050 1
1 496 . 18 1 1 A 51 51 LYS C C 51 178.403 178.559 -0.156 1
1 497 . 18 1 1 A 51 51 LYS CA C 51 58.512 59.361 -0.849 1
1 498 . 18 1 1 A 51 51 LYS CB C 51 32.245 32.264 -0.019 1
1 502 . 18 1 1 A 51 51 LYS N N 51 118.289 118.712 -0.423 1
1 503 . 18 1 1 A 52 52 LEU H H 52 7.518 7.371 0.147 1
1 504 . 18 1 1 A 52 52 LEU HA H 52 4.085 4.183 -0.098 1
1 514 . 18 1 1 A 52 52 LEU C C 52 177.924 176.717 1.207 1
1 515 . 18 1 1 A 52 52 LEU CA C 52 56.424 56.206 0.218 1
1 516 . 18 1 1 A 52 52 LEU CB C 52 42.952 43.477 -0.525 1
1 520 . 18 1 1 A 52 52 LEU N N 52 117.841 118.203 -0.362 1
1 521 . 18 1 1 A 53 53 GLN H H 53 8.438 7.978 0.460 1
1 522 . 18 1 1 A 53 53 GLN HA H 53 4.583 4.660 -0.077 1
1 529 . 18 1 1 A 53 53 GLN C C 53 172.039 174.165 -2.126 1
1 530 . 18 1 1 A 53 53 GLN CA C 53 52.780 53.639 -0.859 1
1 531 . 18 1 1 A 53 53 GLN CB C 53 29.902 28.920 0.982 1
1 533 . 18 1 1 A 53 53 GLN N N 53 118.578 118.228 0.350 1
1 535 . 18 1 1 A 54 54 PRO HA H 54 4.718 4.497 0.221 1
1 542 . 18 1 1 A 54 54 PRO C C 54 177.295 177.401 -0.106 1
1 543 . 18 1 1 A 54 54 PRO CA C 54 64.754 64.387 0.367 1
1 544 . 18 1 1 A 54 54 PRO CB C 54 31.924 31.827 0.097 1
1 547 . 18 1 1 A 55 55 ASP H H 55 8.349 8.388 -0.039 1
1 548 . 18 1 1 A 55 55 ASP HA H 55 4.596 4.581 0.015 1
1 551 . 18 1 1 A 55 55 ASP C C 55 176.361 176.079 0.282 1
1 552 . 18 1 1 A 55 55 ASP CA C 55 53.467 55.242 -1.775 1
1 553 . 18 1 1 A 55 55 ASP CB C 55 40.050 40.603 -0.553 1
1 554 . 18 1 1 A 55 55 ASP N N 55 114.766 116.684 -1.918 1
1 555 . 18 1 1 A 56 56 PHE H H 56 8.187 7.726 0.461 1
1 556 . 18 1 1 A 56 56 PHE HA H 56 4.055 5.038 -0.983 1
1 564 . 18 1 1 A 56 56 PHE C C 56 175.257 173.617 1.640 1
1 565 . 18 1 1 A 56 56 PHE CA C 56 61.149 56.126 5.023 1
1 566 . 18 1 1 A 56 56 PHE CB C 56 38.680 40.175 -1.495 1
1 572 . 18 1 1 A 56 56 PHE N N 56 122.323 120.793 1.530 1
1 573 . 18 1 1 A 57 57 ASP H H 57 6.887 8.656 -1.769 1
1 574 . 18 1 1 A 57 57 ASP HA H 57 4.670 5.070 -0.400 1
1 577 . 18 1 1 A 57 57 ASP C C 57 176.308 176.383 -0.075 1
1 578 . 18 1 1 A 57 57 ASP CA C 57 52.895 52.876 0.019 1
1 579 . 18 1 1 A 57 57 ASP CB C 57 42.942 43.253 -0.311 1
1 580 . 18 1 1 A 57 57 ASP N N 57 127.342 128.344 -1.002 1
1 581 . 18 1 1 A 58 58 SER H H 58 9.284 9.152 0.132 1
1 582 . 18 1 1 A 58 58 SER HA H 58 3.991 4.119 -0.128 1
1 585 . 18 1 1 A 58 58 SER C C 58 176.248 176.775 -0.527 1
1 586 . 18 1 1 A 58 58 SER CA C 58 63.050 61.947 1.103 1
1 587 . 18 1 1 A 58 58 SER CB C 58 63.339 63.160 0.179 1
1 588 . 18 1 1 A 58 58 SER N N 58 123.478 121.535 1.943 1
1 589 . 18 1 1 A 59 59 ARG H H 59 8.639 7.598 1.041 1
1 590 . 18 1 1 A 59 59 ARG HA H 59 4.073 4.199 -0.126 1
1 597 . 18 1 1 A 59 59 ARG C C 59 180.693 179.087 1.606 1
1 598 . 18 1 1 A 59 59 ARG CA C 59 58.787 58.939 -0.152 1
1 599 . 18 1 1 A 59 59 ARG CB C 59 29.824 29.987 -0.163 1
1 602 . 18 1 1 A 59 59 ARG N N 59 123.207 122.175 1.032 1
1 603 . 18 1 1 A 60 60 LEU H H 60 7.460 7.779 -0.319 1
1 604 . 18 1 1 A 60 60 LEU HA H 60 3.841 3.947 -0.106 1
1 614 . 18 1 1 A 60 60 LEU C C 60 177.018 177.802 -0.784 1
1 615 . 18 1 1 A 60 60 LEU CA C 60 56.556 57.553 -0.997 1
1 616 . 18 1 1 A 60 60 LEU CB C 60 41.013 40.959 0.054 1
1 620 . 18 1 1 A 60 60 LEU N N 60 120.191 119.050 1.141 1
1 621 . 18 1 1 A 61 61 TYR H H 61 7.200 7.732 -0.532 1
1 622 . 18 1 1 A 61 61 TYR HA H 61 4.781 4.654 0.127 1
1 629 . 18 1 1 A 61 61 TYR C C 61 175.303 175.969 -0.666 1
1 630 . 18 1 1 A 61 61 TYR CA C 61 56.371 57.823 -1.452 1
1 631 . 18 1 1 A 61 61 TYR CB C 61 38.825 38.922 -0.097 1
1 636 . 18 1 1 A 61 61 TYR N N 61 114.720 116.264 -1.544 1
1 637 . 18 1 1 A 62 62 GLY H H 62 7.354 7.983 -0.629 1
1 638 . 18 1 1 A 62 62 GLY HA2 H 62 3.968 3.923 0.045 1
1 639 . 18 1 1 A 62 62 GLY HA3 H 62 3.552 3.956 -0.404 1
1 640 . 18 1 1 A 62 62 GLY C C 62 173.542 174.375 -0.833 1
1 641 . 18 1 1 A 62 62 GLY CA C 62 44.889 45.837 -0.948 1
1 642 . 18 1 1 A 62 62 GLY N N 62 104.100 109.002 -4.902 1
1 643 . 18 1 1 A 63 63 TYR H H 63 7.377 7.710 -0.333 1
1 644 . 18 1 1 A 63 63 TYR HA H 63 4.937 4.598 0.339 1
1 651 . 18 1 1 A 63 63 TYR C C 63 175.675 176.221 -0.546 1
1 652 . 18 1 1 A 63 63 TYR CA C 63 56.902 58.162 -1.260 1
1 653 . 18 1 1 A 63 63 TYR CB C 63 42.609 39.985 2.624 1
1 658 . 18 1 1 A 63 63 TYR N N 63 117.874 119.680 -1.806 1
1 659 . 18 1 1 A 64 64 LYS H H 64 9.403 8.881 0.522 1
1 660 . 18 1 1 A 64 64 LYS HA H 64 3.914 4.206 -0.292 1
1 669 . 18 1 1 A 64 64 LYS C C 64 176.334 176.776 -0.442 1
1 670 . 18 1 1 A 64 64 LYS CA C 64 59.534 58.651 0.883 1
1 671 . 18 1 1 A 64 64 LYS CB C 64 32.892 33.020 -0.128 1
1 675 . 18 1 1 A 64 64 LYS N N 64 123.946 123.125 0.821 1
1 676 . 18 1 1 A 65 65 LYS H H 65 7.635 7.600 0.035 1
1 677 . 18 1 1 A 65 65 LYS HA H 65 4.787 4.673 0.114 1
1 686 . 18 1 1 A 65 65 LYS C C 65 177.231 176.592 0.639 1
1 687 . 18 1 1 A 65 65 LYS CA C 65 54.089 55.069 -0.980 1
1 688 . 18 1 1 A 65 65 LYS CB C 65 35.722 34.215 1.507 1
1 692 . 18 1 1 A 65 65 LYS N N 65 112.461 114.369 -1.908 1
1 693 . 18 1 1 A 66 66 LEU H H 66 9.090 8.694 0.396 1
1 694 . 18 1 1 A 66 66 LEU HA H 66 4.240 4.054 0.186 1
1 704 . 18 1 1 A 66 66 LEU C C 66 178.820 178.311 0.509 1
1 705 . 18 1 1 A 66 66 LEU CA C 66 58.129 58.067 0.062 1
1 706 . 18 1 1 A 66 66 LEU CB C 66 41.476 41.340 0.136 1
1 710 . 18 1 1 A 66 66 LEU N N 66 124.584 121.423 3.161 1
1 711 . 18 1 1 A 67 67 SER H H 67 8.867 8.351 0.516 1
1 712 . 18 1 1 A 67 67 SER HA H 67 3.697 4.195 -0.498 1
1 715 . 18 1 1 A 67 67 SER C C 67 175.588 176.431 -0.843 1
1 716 . 18 1 1 A 67 67 SER CA C 67 61.518 61.296 0.222 1
1 717 . 18 1 1 A 67 67 SER CB C 67 61.537 62.464 -0.927 1
1 718 . 18 1 1 A 67 67 SER N N 67 112.095 114.447 -2.352 1
1 719 . 18 1 1 A 68 68 ASP H H 68 6.783 8.006 -1.223 1
1 720 . 18 1 1 A 68 68 ASP HA H 68 4.356 4.486 -0.130 1
1 723 . 18 1 1 A 68 68 ASP C C 68 177.827 178.305 -0.478 1
1 724 . 18 1 1 A 68 68 ASP CA C 68 57.170 57.291 -0.121 1
1 725 . 18 1 1 A 68 68 ASP CB C 68 41.380 41.889 -0.509 1
1 726 . 18 1 1 A 68 68 ASP N N 68 119.720 121.430 -1.710 1
1 727 . 18 1 1 A 69 69 LEU H H 69 7.153 7.332 -0.179 1
1 728 . 18 1 1 A 69 69 LEU HA H 69 2.561 3.470 -0.909 1
1 738 . 18 1 1 A 69 69 LEU C C 69 177.830 178.642 -0.812 1
1 739 . 18 1 1 A 69 69 LEU CA C 69 58.843 57.715 1.128 1
1 740 . 18 1 1 A 69 69 LEU CB C 69 42.203 41.553 0.650 1
1 744 . 18 1 1 A 69 69 LEU N N 69 122.181 120.421 1.760 1
1 745 . 18 1 1 A 70 70 VAL H H 70 8.167 8.148 0.019 1
1 746 . 18 1 1 A 70 70 VAL HA H 70 3.509 3.600 -0.091 1
1 754 . 18 1 1 A 70 70 VAL C C 70 177.695 178.209 -0.514 1
1 755 . 18 1 1 A 70 70 VAL CA C 70 65.582 67.189 -1.607 1
1 756 . 18 1 1 A 70 70 VAL CB C 70 31.409 31.462 -0.053 1
1 759 . 18 1 1 A 70 70 VAL N N 70 116.117 119.449 -3.332 1
1 760 . 18 1 1 A 71 71 LYS H H 71 7.665 8.029 -0.364 1
1 761 . 18 1 1 A 71 71 LYS HA H 71 3.854 4.150 -0.296 1
1 770 . 18 1 1 A 71 71 LYS C C 71 177.406 177.828 -0.422 1
1 771 . 18 1 1 A 71 71 LYS CA C 71 59.175 58.752 0.423 1
1 772 . 18 1 1 A 71 71 LYS CB C 71 32.804 31.748 1.056 1
1 776 . 18 1 1 A 71 71 LYS N N 71 116.326 119.794 -3.468 1
1 777 . 18 1 1 A 72 72 ALA H H 72 7.506 7.497 0.009 1
1 778 . 18 1 1 A 72 72 ALA HA H 72 4.391 4.307 0.084 1
1 782 . 18 1 1 A 72 72 ALA C C 72 180.756 177.610 3.146 1
1 783 . 18 1 1 A 72 72 ALA CA C 72 53.691 52.553 1.138 1
1 784 . 18 1 1 A 72 72 ALA CB C 72 20.243 19.680 0.563 1
1 785 . 18 1 1 A 72 72 ALA N N 72 118.313 120.502 -2.189 1
1 786 . 18 1 1 A 73 73 ARG H H 73 7.603 7.904 -0.301 1
1 787 . 18 1 1 A 73 73 ARG HA H 73 4.872 4.592 0.280 1
1 795 . 18 1 1 A 73 73 ARG C C 73 177.558 176.159 1.399 1
1 796 . 18 1 1 A 73 73 ARG CA C 73 51.230 54.902 -3.672 1
1 797 . 18 1 1 A 73 73 ARG CB C 73 25.568 30.143 -4.575 1
1 800 . 18 1 1 A 73 73 ARG N N 73 118.690 117.742 0.948 1
1 802 . 18 1 1 A 74 74 THR H H 74 8.261 7.951 0.310 1
1 803 . 18 1 1 A 74 74 THR HA H 74 4.552 4.171 0.381 1
1 808 . 18 1 1 A 74 74 THR C C 74 174.706 176.181 -1.475 1
1 809 . 18 1 1 A 74 74 THR CA C 74 62.876 64.951 -2.075 1
1 810 . 18 1 1 A 74 74 THR CB C 74 68.716 68.358 0.358 1
1 812 . 18 1 1 A 74 74 THR N N 74 115.950 112.765 3.185 1
1 813 . 18 1 1 A 75 75 ASP H H 75 9.542 8.066 1.476 1
1 814 . 18 1 1 A 75 75 ASP HA H 75 4.310 4.326 -0.016 1
1 817 . 18 1 1 A 75 75 ASP C C 75 175.958 177.112 -1.154 1
1 818 . 18 1 1 A 75 75 ASP CA C 75 54.476 56.583 -2.107 1
1 819 . 18 1 1 A 75 75 ASP CB C 75 38.969 40.693 -1.724 1
1 820 . 18 1 1 A 75 75 ASP N N 75 116.582 121.809 -5.227 1
1 821 . 18 1 1 A 76 76 LEU H H 76 7.078 7.424 -0.346 1
1 822 . 18 1 1 A 76 76 LEU HA H 76 4.225 3.995 0.230 1
1 832 . 18 1 1 A 76 76 LEU C C 76 177.244 176.083 1.161 1
1 833 . 18 1 1 A 76 76 LEU CA C 76 55.349 55.835 -0.486 1
1 834 . 18 1 1 A 76 76 LEU CB C 76 43.508 43.147 0.361 1
1 838 . 18 1 1 A 76 76 LEU N N 76 117.639 117.117 0.522 1
1 839 . 18 1 1 A 77 77 PHE H H 77 7.977 7.774 0.203 1
1 840 . 18 1 1 A 77 77 PHE HA H 77 5.648 5.107 0.541 1
1 848 . 18 1 1 A 77 77 PHE C C 77 175.868 174.861 1.007 1
1 849 . 18 1 1 A 77 77 PHE CA C 77 54.878 56.502 -1.624 1
1 850 . 18 1 1 A 77 77 PHE CB C 77 42.833 42.348 0.485 1
1 856 . 18 1 1 A 77 77 PHE N N 77 115.989 115.225 0.764 1
1 857 . 18 1 1 A 78 78 VAL H H 78 8.863 8.843 0.020 1
1 858 . 18 1 1 A 78 78 VAL HA H 78 4.425 4.488 -0.063 1
1 866 . 18 1 1 A 78 78 VAL C C 78 175.288 175.587 -0.299 1
1 867 . 18 1 1 A 78 78 VAL CA C 78 61.575 62.635 -1.060 1
1 868 . 18 1 1 A 78 78 VAL CB C 78 33.988 31.677 2.311 1
1 871 . 18 1 1 A 78 78 VAL N N 78 123.339 123.323 0.016 1
1 872 . 18 1 1 A 79 79 THR H H 79 8.305 8.988 -0.683 1
1 873 . 18 1 1 A 79 79 THR HA H 79 5.882 5.573 0.309 1
1 878 . 18 1 1 A 79 79 THR C C 79 174.566 173.955 0.611 1
1 879 . 18 1 1 A 79 79 THR CA C 79 59.476 60.531 -1.055 1
1 880 . 18 1 1 A 79 79 THR CB C 79 73.090 70.714 2.376 1
1 882 . 18 1 1 A 79 79 THR N N 79 113.057 119.577 -6.520 1
1 883 . 18 1 1 A 80 80 GLU H H 80 8.962 8.620 0.342 1
1 884 . 18 1 1 A 80 80 GLU HA H 80 4.589 4.834 -0.245 1
1 889 . 18 1 1 A 80 80 GLU C C 80 174.040 175.761 -1.721 1
1 890 . 18 1 1 A 80 80 GLU CA C 80 55.878 55.241 0.637 1
1 891 . 18 1 1 A 80 80 GLU CB C 80 33.399 33.793 -0.394 1
1 893 . 18 1 1 A 80 80 GLU N N 80 117.934 122.829 -4.895 1
1 894 . 18 1 1 A 81 81 GLU H H 81 8.687 8.722 -0.035 1
1 895 . 18 1 1 A 81 81 GLU HA H 81 5.213 4.742 0.471 1
1 900 . 18 1 1 A 81 81 GLU C C 81 176.406 175.678 0.728 1
1 901 . 18 1 1 A 81 81 GLU CA C 81 55.186 56.224 -1.038 1
1 902 . 18 1 1 A 81 81 GLU CB C 81 31.544 30.555 0.989 1
1 904 . 18 1 1 A 81 81 GLU N N 81 122.400 122.996 -0.596 1
1 905 . 18 1 1 A 82 82 ARG H H 82 9.118 9.280 -0.162 1
1 906 . 18 1 1 A 82 82 ARG HA H 82 4.635 4.724 -0.089 1
1 914 . 18 1 1 A 82 82 ARG C C 82 175.222 174.887 0.335 1
1 915 . 18 1 1 A 82 82 ARG CA C 82 54.746 54.609 0.137 1
1 916 . 18 1 1 A 82 82 ARG CB C 82 33.719 33.530 0.189 1
1 919 . 18 1 1 A 82 82 ARG N N 82 121.851 124.714 -2.863 1
1 921 . 18 1 1 A 83 83 GLN H H 83 8.642 8.613 0.029 1
1 922 . 18 1 1 A 83 83 GLN HA H 83 4.340 4.588 -0.248 1
1 927 . 18 1 1 A 83 83 GLN C C 83 175.705 175.634 0.071 1
1 928 . 18 1 1 A 83 83 GLN CA C 83 56.094 56.018 0.076 1
1 929 . 18 1 1 A 83 83 GLN CB C 83 29.424 29.806 -0.382 1
1 931 . 18 1 1 A 83 83 GLN N N 83 121.976 123.239 -1.263 1
1 932 . 18 1 1 A 84 84 VAL H H 84 8.818 8.178 0.640 1
1 933 . 18 1 1 A 84 84 VAL HA H 84 4.399 4.506 -0.107 1
1 941 . 18 1 1 A 84 84 VAL C C 84 174.439 174.870 -0.431 1
1 942 . 18 1 1 A 84 84 VAL CA C 84 59.977 59.521 0.456 1
1 943 . 18 1 1 A 84 84 VAL CB C 84 32.948 32.118 0.830 1
1 946 . 18 1 1 A 84 84 VAL N N 84 128.548 126.220 2.328 1
1 947 . 18 1 1 A 85 85 PRO HA H 85 4.313 4.266 0.047 1
1 954 . 18 1 1 A 85 85 PRO C C 85 178.026 177.571 0.455 1
1 955 . 18 1 1 A 85 85 PRO CA C 85 64.139 63.804 0.335 1
1 956 . 18 1 1 A 85 85 PRO CB C 85 31.744 31.334 0.410 1
1 959 . 18 1 1 A 86 86 GLY H H 86 8.815 8.775 0.040 1
1 960 . 18 1 1 A 86 86 GLY HA2 H 86 3.751 4.009 -0.258 1
1 961 . 18 1 1 A 86 86 GLY HA3 H 86 4.148 4.011 0.137 1
1 962 . 18 1 1 A 86 86 GLY C C 86 173.673 173.447 0.226 1
1 963 . 18 1 1 A 86 86 GLY CA C 86 45.661 45.645 0.016 1
1 964 . 18 1 1 A 86 86 GLY N N 86 111.839 113.033 -1.194 1
1 965 . 18 1 1 A 87 87 SER H H 87 8.029 7.427 0.602 1
1 966 . 18 1 1 A 87 87 SER HA H 87 4.955 4.971 -0.016 1
1 969 . 18 1 1 A 87 87 SER C C 87 174.293 174.051 0.242 1
1 970 . 18 1 1 A 87 87 SER CA C 87 56.119 57.390 -1.271 1
1 971 . 18 1 1 A 87 87 SER CB C 87 65.288 66.453 -1.165 1
1 972 . 18 1 1 A 87 87 SER N N 87 114.255 114.471 -0.216 1
1 973 . 18 1 1 A 88 88 THR H H 88 8.366 8.448 -0.082 1
1 974 . 18 1 1 A 88 88 THR HA H 88 4.438 4.292 0.146 1
1 979 . 18 1 1 A 88 88 THR C C 88 175.360 174.400 0.960 1
1 980 . 18 1 1 A 88 88 THR CA C 88 62.103 63.794 -1.691 1
1 981 . 18 1 1 A 88 88 THR CB C 88 69.017 69.727 -0.710 1
1 983 . 18 1 1 A 88 88 THR N N 88 112.921 118.911 -5.990 1
1 984 . 18 1 1 A 89 89 GLN H H 89 8.342 7.590 0.752 1
1 985 . 18 1 1 A 89 89 GLN HA H 89 4.382 4.429 -0.047 1
1 990 . 18 1 1 A 89 89 GLN C C 89 175.462 175.388 0.074 1
1 991 . 18 1 1 A 89 89 GLN CA C 89 55.599 55.404 0.195 1
1 992 . 18 1 1 A 89 89 GLN CB C 89 30.016 30.107 -0.091 1
1 994 . 18 1 1 A 89 89 GLN N N 89 122.086 117.253 4.833 1
1 995 . 18 1 1 A 90 90 LYS H H 90 8.584 8.582 0.002 1
1 996 . 18 1 1 A 90 90 LYS HA H 90 4.779 4.908 -0.129 1
1 1005 . 18 1 1 A 90 90 LYS C C 90 175.897 175.323 0.574 1
1 1006 . 18 1 1 A 90 90 LYS CA C 90 55.590 55.583 0.007 1
1 1007 . 18 1 1 A 90 90 LYS CB C 90 34.742 33.948 0.794 1
1 1011 . 18 1 1 A 90 90 LYS N N 90 121.945 119.747 2.198 1
1 1012 . 18 1 1 A 91 91 ALA H H 91 8.975 9.365 -0.390 1
1 1013 . 18 1 1 A 91 91 ALA HA H 91 4.738 5.218 -0.480 1
1 1017 . 18 1 1 A 91 91 ALA C C 91 175.585 175.994 -0.409 1
1 1018 . 18 1 1 A 91 91 ALA CA C 91 50.741 50.076 0.665 1
1 1019 . 18 1 1 A 91 91 ALA CB C 91 22.890 21.643 1.247 1
1 1020 . 18 1 1 A 91 91 ALA N N 91 124.604 125.560 -0.956 1
1 1021 . 18 1 1 A 92 92 LEU H H 92 8.523 8.572 -0.049 1
1 1022 . 18 1 1 A 92 92 LEU HA H 92 4.707 4.659 0.048 1
1 1032 . 18 1 1 A 92 92 LEU C C 92 174.752 174.381 0.371 1
1 1033 . 18 1 1 A 92 92 LEU CA C 92 55.285 54.459 0.826 1
1 1034 . 18 1 1 A 92 92 LEU CB C 92 43.267 42.773 0.494 1
1 1038 . 18 1 1 A 92 92 LEU N N 92 123.888 124.872 -0.984 1
1 1039 . 18 1 1 A 93 93 TYR H H 93 9.289 9.354 -0.065 1
1 1040 . 18 1 1 A 93 93 TYR HA H 93 5.269 5.295 -0.026 1
1 1047 . 18 1 1 A 93 93 TYR C C 93 174.528 175.898 -1.370 1
1 1048 . 18 1 1 A 93 93 TYR CA C 93 56.505 57.154 -0.649 1
1 1049 . 18 1 1 A 93 93 TYR CB C 93 41.881 40.953 0.928 1
1 1054 . 18 1 1 A 93 93 TYR N N 93 126.872 127.737 -0.865 1
1 1055 . 18 1 1 A 94 94 LEU H H 94 9.551 9.167 0.384 1
1 1056 . 18 1 1 A 94 94 LEU HA H 94 5.869 5.629 0.240 1
1 1066 . 18 1 1 A 94 94 LEU C C 94 173.433 174.842 -1.409 1
1 1067 . 18 1 1 A 94 94 LEU CA C 94 54.131 53.648 0.483 1
1 1068 . 18 1 1 A 94 94 LEU CB C 94 46.320 45.792 0.528 1
1 1072 . 18 1 1 A 94 94 LEU N N 94 117.884 122.786 -4.902 1
1 1073 . 18 1 1 A 95 95 ARG H H 95 8.603 8.574 0.029 1
1 1074 . 18 1 1 A 95 95 ARG HA H 95 4.707 4.789 -0.082 1
1 1082 . 18 1 1 A 95 95 ARG C C 95 174.605 174.673 -0.068 1
1 1083 . 18 1 1 A 95 95 ARG CA C 95 53.795 53.880 -0.085 1
1 1084 . 18 1 1 A 95 95 ARG CB C 95 33.468 33.294 0.174 1
1 1087 . 18 1 1 A 95 95 ARG N N 95 116.939 120.271 -3.332 1
1 1089 . 18 1 1 A 96 96 ALA H H 96 9.072 8.450 0.622 1
1 1090 . 18 1 1 A 96 96 ALA HA H 96 4.404 4.332 0.072 1
1 1094 . 18 1 1 A 96 96 ALA C C 96 177.811 176.958 0.853 1
1 1095 . 18 1 1 A 96 96 ALA CA C 96 52.324 52.337 -0.013 1
1 1096 . 18 1 1 A 96 96 ALA CB C 96 18.248 19.126 -0.878 1
1 1097 . 18 1 1 A 96 96 ALA N N 96 124.914 123.920 0.994 1
1 1098 . 18 1 1 A 97 97 LYS H H 97 7.989 8.455 -0.466 1
1 1099 . 18 1 1 A 97 97 LYS HA H 97 3.922 4.489 -0.567 1
1 1108 . 18 1 1 A 97 97 LYS C C 97 175.978 174.923 1.055 1
1 1109 . 18 1 1 A 97 97 LYS CA C 97 56.915 56.092 0.823 1
1 1110 . 18 1 1 A 97 97 LYS CB C 97 32.864 32.858 0.006 1
1 1114 . 18 1 1 A 97 97 LYS N N 97 123.129 123.049 0.080 1
1 1115 . 18 1 1 A 98 98 LEU H H 98 8.118 9.164 -1.046 1
1 1116 . 18 1 1 A 98 98 LEU HA H 98 4.321 4.733 -0.412 1
1 1126 . 18 1 1 A 98 98 LEU C C 98 176.592 176.712 -0.120 1
1 1127 . 18 1 1 A 98 98 LEU CA C 98 54.627 53.865 0.762 1
1 1128 . 18 1 1 A 98 98 LEU CB C 98 42.566 41.972 0.594 1
1 1132 . 18 1 1 A 98 98 LEU N N 98 123.816 130.173 -6.357 1
1 1133 . 18 1 1 A 99 99 GLU H H 99 8.376 8.725 -0.349 1
1 1134 . 18 1 1 A 99 99 GLU C C 99 175.790 176.067 -0.277 1
1 1 . 19 1 1 A 5 5 SER H H 5 8.350 8.040 0.310 1
1 2 . 19 1 1 A 5 5 SER N N 5 116.816 114.733 2.083 1
1 3 . 19 1 1 A 9 9 GLN H H 9 8.479 8.794 -0.315 1
1 4 . 19 1 1 A 9 9 GLN N N 9 121.973 120.725 1.248 1
1 5 . 19 1 1 A 10 10 PRO HA H 10 4.392 4.912 -0.520 1
1 8 . 19 1 1 A 10 10 PRO C C 10 176.702 176.004 0.698 1
1 9 . 19 1 1 A 10 10 PRO CA C 10 63.029 62.341 0.688 1
1 10 . 19 1 1 A 10 10 PRO CB C 10 32.056 32.581 -0.525 1
1 11 . 19 1 1 A 11 11 ALA H H 11 8.421 8.445 -0.024 1
1 12 . 19 1 1 A 11 11 ALA HA H 11 4.254 4.840 -0.586 1
1 16 . 19 1 1 A 11 11 ALA C C 11 177.592 175.759 1.833 1
1 17 . 19 1 1 A 11 11 ALA CA C 11 52.405 51.091 1.314 1
1 18 . 19 1 1 A 11 11 ALA CB C 11 19.242 20.633 -1.391 1
1 19 . 19 1 1 A 11 11 ALA N N 11 124.566 124.060 0.506 1
1 20 . 19 1 1 A 12 12 ALA H H 12 8.297 8.715 -0.418 1
1 21 . 19 1 1 A 12 12 ALA HA H 12 4.278 4.761 -0.483 1
1 25 . 19 1 1 A 12 12 ALA C C 12 177.607 176.906 0.701 1
1 26 . 19 1 1 A 12 12 ALA CA C 12 52.402 50.991 1.411 1
1 27 . 19 1 1 A 12 12 ALA CB C 12 19.397 20.025 -0.628 1
1 28 . 19 1 1 A 12 12 ALA N N 12 123.470 125.812 -2.342 1
1 29 . 19 1 1 A 13 13 GLN H H 13 8.302 8.561 -0.259 1
1 30 . 19 1 1 A 13 13 GLN HA H 13 4.304 4.562 -0.258 1
1 33 . 19 1 1 A 13 13 GLN C C 13 175.344 175.278 0.066 1
1 34 . 19 1 1 A 13 13 GLN CA C 13 55.396 56.169 -0.773 1
1 35 . 19 1 1 A 13 13 GLN CB C 13 29.738 29.237 0.501 1
1 36 . 19 1 1 A 13 13 GLN N N 13 119.718 122.538 -2.820 1
1 37 . 19 1 1 A 14 14 ALA H H 14 8.405 8.474 -0.069 1
1 38 . 19 1 1 A 14 14 ALA HA H 14 4.580 4.651 -0.071 1
1 42 . 19 1 1 A 14 14 ALA C C 14 175.619 175.638 -0.019 1
1 43 . 19 1 1 A 14 14 ALA CA C 14 50.607 50.595 0.012 1
1 44 . 19 1 1 A 14 14 ALA CB C 14 18.031 18.771 -0.740 1
1 45 . 19 1 1 A 14 14 ALA N N 14 127.291 128.151 -0.860 1
1 46 . 19 1 1 A 15 15 PRO HA H 15 4.399 4.536 -0.137 1
1 49 . 19 1 1 A 15 15 PRO C C 15 177.086 176.856 0.230 1
1 50 . 19 1 1 A 15 15 PRO CA C 15 63.294 62.538 0.756 1
1 51 . 19 1 1 A 15 15 PRO CB C 15 31.988 33.060 -1.072 1
1 52 . 19 1 1 A 16 16 GLU H H 16 8.656 9.170 -0.514 1
1 53 . 19 1 1 A 16 16 GLU HA H 16 4.306 4.069 0.237 1
1 56 . 19 1 1 A 16 16 GLU C C 16 176.897 176.560 0.337 1
1 57 . 19 1 1 A 16 16 GLU CA C 16 56.771 58.562 -1.791 1
1 58 . 19 1 1 A 16 16 GLU CB C 16 30.209 30.274 -0.065 1
1 59 . 19 1 1 A 16 16 GLU N N 16 120.957 120.048 0.909 1
1 60 . 19 1 1 A 17 17 THR H H 17 8.202 7.593 0.609 1
1 61 . 19 1 1 A 17 17 THR HA H 17 4.336 4.982 -0.646 1
1 66 . 19 1 1 A 17 17 THR C C 17 174.612 172.482 2.130 1
1 67 . 19 1 1 A 17 17 THR CA C 17 61.981 61.739 0.242 1
1 68 . 19 1 1 A 17 17 THR CB C 17 69.928 70.616 -0.688 1
1 70 . 19 1 1 A 17 17 THR N N 17 115.763 114.590 1.173 1
1 71 . 19 1 1 A 18 18 LYS H H 18 8.373 9.208 -0.835 1
1 72 . 19 1 1 A 18 18 LYS HA H 18 4.365 4.917 -0.552 1
1 81 . 19 1 1 A 18 18 LYS C C 18 176.509 175.188 1.321 1
1 82 . 19 1 1 A 18 18 LYS CA C 18 56.348 54.577 1.771 1
1 83 . 19 1 1 A 18 18 LYS CB C 18 33.051 34.893 -1.842 1
1 87 . 19 1 1 A 18 18 LYS N N 18 123.975 128.803 -4.828 1
1 88 . 19 1 1 A 19 19 GLN H H 19 8.387 8.782 -0.395 1
1 89 . 19 1 1 A 19 19 GLN HA H 19 4.378 4.875 -0.497 1
1 96 . 19 1 1 A 19 19 GLN C C 19 175.630 174.988 0.642 1
1 97 . 19 1 1 A 19 19 GLN CA C 19 55.614 54.552 1.062 1
1 98 . 19 1 1 A 19 19 GLN CB C 19 29.749 30.552 -0.803 1
1 100 . 19 1 1 A 19 19 GLN N N 19 121.480 126.469 -4.989 1
1 102 . 19 1 1 A 20 20 ALA H H 20 8.505 8.747 -0.242 1
1 103 . 19 1 1 A 20 20 ALA HA H 20 4.449 5.381 -0.932 1
1 107 . 19 1 1 A 20 20 ALA C C 20 177.361 176.394 0.967 1
1 108 . 19 1 1 A 20 20 ALA CA C 20 52.165 50.153 2.012 1
1 109 . 19 1 1 A 20 20 ALA CB C 20 19.253 21.901 -2.648 1
1 110 . 19 1 1 A 20 20 ALA N N 20 125.974 122.243 3.731 1
1 111 . 19 1 1 A 21 21 PHE H H 21 8.851 9.161 -0.310 1
1 112 . 19 1 1 A 21 21 PHE HA H 21 4.422 4.895 -0.473 1
1 120 . 19 1 1 A 21 21 PHE C C 21 176.063 174.630 1.433 1
1 121 . 19 1 1 A 21 21 PHE CA C 21 56.142 56.696 -0.554 1
1 122 . 19 1 1 A 21 21 PHE CB C 21 39.867 38.682 1.185 1
1 128 . 19 1 1 A 21 21 PHE N N 21 124.486 121.020 3.466 1
1 129 . 19 1 1 A 22 22 PRO HA H 22 4.856 4.940 -0.084 1
1 136 . 19 1 1 A 22 22 PRO C C 22 174.848 177.208 -2.360 1
1 137 . 19 1 1 A 22 22 PRO CA C 22 62.078 62.255 -0.177 1
1 138 . 19 1 1 A 22 22 PRO CB C 22 28.563 30.385 -1.822 1
1 141 . 19 1 1 A 23 23 ARG H H 23 8.356 8.629 -0.273 1
1 142 . 19 1 1 A 23 23 ARG HA H 23 3.650 4.137 -0.487 1
1 149 . 19 1 1 A 23 23 ARG C C 23 176.762 178.404 -1.642 1
1 150 . 19 1 1 A 23 23 ARG CA C 23 60.448 58.336 2.112 1
1 151 . 19 1 1 A 23 23 ARG CB C 23 31.422 29.804 1.618 1
1 154 . 19 1 1 A 23 23 ARG N N 23 126.815 121.516 5.299 1
1 155 . 19 1 1 A 24 24 LYS H H 24 8.555 8.137 0.418 1
1 156 . 19 1 1 A 24 24 LYS HA H 24 3.926 4.000 -0.074 1
1 165 . 19 1 1 A 24 24 LYS C C 24 179.506 178.878 0.628 1
1 166 . 19 1 1 A 24 24 LYS CA C 24 59.888 58.697 1.191 1
1 167 . 19 1 1 A 24 24 LYS CB C 24 31.782 31.876 -0.094 1
1 171 . 19 1 1 A 24 24 LYS N N 24 116.573 119.109 -2.536 1
1 172 . 19 1 1 A 25 25 PHE H H 25 7.575 7.609 -0.034 1
1 173 . 19 1 1 A 25 25 PHE HA H 25 4.487 4.451 0.036 1
1 181 . 19 1 1 A 25 25 PHE C C 25 177.447 178.108 -0.661 1
1 182 . 19 1 1 A 25 25 PHE CA C 25 59.779 60.687 -0.908 1
1 183 . 19 1 1 A 25 25 PHE CB C 25 38.791 39.606 -0.815 1
1 189 . 19 1 1 A 25 25 PHE N N 25 118.123 118.351 -0.228 1
1 190 . 19 1 1 A 26 26 VAL H H 26 8.024 8.435 -0.411 1
1 191 . 19 1 1 A 26 26 VAL HA H 26 3.608 3.724 -0.116 1
1 199 . 19 1 1 A 26 26 VAL C C 26 177.770 178.348 -0.578 1
1 200 . 19 1 1 A 26 26 VAL CA C 26 66.473 66.979 -0.506 1
1 201 . 19 1 1 A 26 26 VAL CB C 26 31.408 31.503 -0.095 1
1 204 . 19 1 1 A 26 26 VAL N N 26 117.081 119.466 -2.385 1
1 205 . 19 1 1 A 27 27 LEU H H 27 8.220 8.403 -0.183 1
1 206 . 19 1 1 A 27 27 LEU HA H 27 4.234 4.108 0.126 1
1 216 . 19 1 1 A 27 27 LEU C C 27 180.010 179.256 0.754 1
1 217 . 19 1 1 A 27 27 LEU CA C 27 57.864 57.861 0.003 1
1 218 . 19 1 1 A 27 27 LEU CB C 27 40.488 41.069 -0.581 1
1 222 . 19 1 1 A 27 27 LEU N N 27 118.748 117.816 0.932 1
1 223 . 19 1 1 A 28 28 ALA H H 28 8.014 8.377 -0.363 1
1 224 . 19 1 1 A 28 28 ALA HA H 28 4.289 4.070 0.219 1
1 228 . 19 1 1 A 28 28 ALA C C 28 179.951 179.883 0.068 1
1 229 . 19 1 1 A 28 28 ALA CA C 28 55.110 55.511 -0.401 1
1 230 . 19 1 1 A 28 28 ALA CB C 28 17.970 17.846 0.124 1
1 231 . 19 1 1 A 28 28 ALA N N 28 124.088 121.633 2.455 1
1 232 . 19 1 1 A 29 29 ALA H H 29 8.259 8.170 0.089 1
1 233 . 19 1 1 A 29 29 ALA HA H 29 3.942 4.481 -0.539 1
1 237 . 19 1 1 A 29 29 ALA C C 29 180.505 180.102 0.403 1
1 238 . 19 1 1 A 29 29 ALA CA C 29 54.976 55.342 -0.366 1
1 239 . 19 1 1 A 29 29 ALA CB C 29 17.923 18.600 -0.677 1
1 240 . 19 1 1 A 29 29 ALA N N 29 120.431 121.245 -0.814 1
1 241 . 19 1 1 A 30 30 LEU H H 30 8.098 8.451 -0.353 1
1 242 . 19 1 1 A 30 30 LEU HA H 30 4.007 4.339 -0.332 1
1 252 . 19 1 1 A 30 30 LEU C C 30 178.315 178.329 -0.014 1
1 253 . 19 1 1 A 30 30 LEU CA C 30 58.096 58.235 -0.139 1
1 254 . 19 1 1 A 30 30 LEU CB C 30 41.486 41.981 -0.495 1
1 258 . 19 1 1 A 30 30 LEU N N 30 120.849 120.733 0.116 1
1 259 . 19 1 1 A 31 31 GLU H H 31 8.115 8.478 -0.363 1
1 260 . 19 1 1 A 31 31 GLU HA H 31 3.967 4.079 -0.112 1
1 265 . 19 1 1 A 31 31 GLU C C 31 179.473 177.954 1.519 1
1 266 . 19 1 1 A 31 31 GLU CA C 31 59.683 59.189 0.494 1
1 267 . 19 1 1 A 31 31 GLU CB C 31 29.402 29.055 0.347 1
1 269 . 19 1 1 A 31 31 GLU N N 31 120.752 117.444 3.308 1
1 270 . 19 1 1 A 32 32 GLN H H 32 7.812 7.657 0.155 1
1 271 . 19 1 1 A 32 32 GLN HA H 32 4.001 4.088 -0.087 1
1 278 . 19 1 1 A 32 32 GLN C C 32 176.519 177.091 -0.572 1
1 279 . 19 1 1 A 32 32 GLN CA C 32 57.576 57.917 -0.341 1
1 280 . 19 1 1 A 32 32 GLN CB C 32 29.108 28.517 0.591 1
1 282 . 19 1 1 A 32 32 GLN N N 32 114.711 119.183 -4.472 1
1 284 . 19 1 1 A 33 33 SER H H 33 7.460 7.491 -0.031 1
1 285 . 19 1 1 A 33 33 SER HA H 33 4.257 4.580 -0.323 1
1 288 . 19 1 1 A 33 33 SER C C 33 174.508 174.362 0.146 1
1 289 . 19 1 1 A 33 33 SER CA C 33 58.504 57.959 0.545 1
1 290 . 19 1 1 A 33 33 SER CB C 33 65.131 63.984 1.147 1
1 291 . 19 1 1 A 33 33 SER N N 33 110.604 113.602 -2.998 1
1 292 . 19 1 1 A 34 34 SER H H 34 7.429 7.325 0.104 1
1 293 . 19 1 1 A 34 34 SER HA H 34 4.468 4.732 -0.264 1
1 296 . 19 1 1 A 34 34 SER C C 34 174.588 174.101 0.487 1
1 297 . 19 1 1 A 34 34 SER CA C 34 58.556 57.917 0.639 1
1 298 . 19 1 1 A 34 34 SER CB C 34 65.278 65.187 0.091 1
1 299 . 19 1 1 A 34 34 SER N N 34 117.544 118.660 -1.116 1
1 300 . 19 1 1 A 35 35 ASP H H 35 8.822 9.312 -0.490 1
1 301 . 19 1 1 A 35 35 ASP HA H 35 4.778 5.003 -0.225 1
1 304 . 19 1 1 A 35 35 ASP C C 35 178.268 177.626 0.642 1
1 305 . 19 1 1 A 35 35 ASP CA C 35 52.849 53.109 -0.260 1
1 306 . 19 1 1 A 35 35 ASP CB C 35 41.314 42.375 -1.061 1
1 307 . 19 1 1 A 35 35 ASP N N 35 121.575 122.380 -0.805 1
1 308 . 19 1 1 A 36 36 ASP H H 36 8.483 8.971 -0.488 1
1 309 . 19 1 1 A 36 36 ASP HA H 36 4.414 4.342 0.072 1
1 312 . 19 1 1 A 36 36 ASP C C 36 176.670 177.288 -0.618 1
1 313 . 19 1 1 A 36 36 ASP CA C 36 56.605 58.119 -1.514 1
1 314 . 19 1 1 A 36 36 ASP CB C 36 40.286 41.212 -0.926 1
1 315 . 19 1 1 A 36 36 ASP N N 36 117.398 122.618 -5.220 1
1 316 . 19 1 1 A 37 37 ALA H H 37 8.242 7.606 0.636 1
1 317 . 19 1 1 A 37 37 ALA HA H 37 4.532 4.563 -0.031 1
1 321 . 19 1 1 A 37 37 ALA C C 37 177.407 177.726 -0.319 1
1 322 . 19 1 1 A 37 37 ALA CA C 37 51.677 51.945 -0.268 1
1 323 . 19 1 1 A 37 37 ALA CB C 37 19.774 19.627 0.147 1
1 324 . 19 1 1 A 37 37 ALA N N 37 122.052 118.092 3.960 1
1 325 . 19 1 1 A 38 38 GLY H H 38 8.155 8.191 -0.036 1
1 326 . 19 1 1 A 38 38 GLY HA2 H 38 3.624 3.683 -0.059 1
1 327 . 19 1 1 A 38 38 GLY HA3 H 38 4.080 3.797 0.283 1
1 328 . 19 1 1 A 38 38 GLY C C 38 173.417 174.318 -0.901 1
1 329 . 19 1 1 A 38 38 GLY CA C 38 45.093 45.904 -0.811 1
1 330 . 19 1 1 A 38 38 GLY N N 38 107.721 107.666 0.055 1
1 331 . 19 1 1 A 39 39 TRP H H 39 8.449 7.790 0.659 1
1 332 . 19 1 1 A 39 39 TRP HA H 39 5.054 4.826 0.228 1
1 341 . 19 1 1 A 39 39 TRP C C 39 176.577 175.444 1.133 1
1 342 . 19 1 1 A 39 39 TRP CA C 39 56.596 57.206 -0.610 1
1 343 . 19 1 1 A 39 39 TRP CB C 39 32.184 31.111 1.073 1
1 349 . 19 1 1 A 39 39 TRP N N 39 119.797 119.728 0.069 1
1 351 . 19 1 1 A 40 40 ALA H H 40 9.855 9.220 0.635 1
1 352 . 19 1 1 A 40 40 ALA HA H 40 5.099 5.253 -0.154 1
1 356 . 19 1 1 A 40 40 ALA C C 40 176.165 176.487 -0.322 1
1 357 . 19 1 1 A 40 40 ALA CA C 40 50.202 50.508 -0.306 1
1 358 . 19 1 1 A 40 40 ALA CB C 40 23.153 21.072 2.081 1
1 359 . 19 1 1 A 40 40 ALA N N 40 124.618 126.987 -2.369 1
1 360 . 19 1 1 A 41 41 ASN H H 41 8.794 8.578 0.216 1
1 361 . 19 1 1 A 41 41 ASN HA H 41 3.771 3.997 -0.226 1
1 366 . 19 1 1 A 41 41 ASN C C 41 175.824 176.480 -0.656 1
1 367 . 19 1 1 A 41 41 ASN CA C 41 52.724 53.033 -0.309 1
1 368 . 19 1 1 A 41 41 ASN CB C 41 39.927 39.652 0.275 1
1 369 . 19 1 1 A 41 41 ASN N N 41 121.050 121.561 -0.511 1
1 371 . 19 1 1 A 42 42 LEU H H 42 8.493 8.748 -0.255 1
1 372 . 19 1 1 A 42 42 LEU HA H 42 3.834 4.050 -0.216 1
1 382 . 19 1 1 A 42 42 LEU C C 42 178.256 178.987 -0.731 1
1 383 . 19 1 1 A 42 42 LEU CA C 42 58.859 58.274 0.585 1
1 384 . 19 1 1 A 42 42 LEU CB C 42 42.233 41.743 0.490 1
1 388 . 19 1 1 A 42 42 LEU N N 42 126.418 129.344 -2.926 1
1 389 . 19 1 1 A 43 43 GLY H H 43 8.440 8.214 0.226 1
1 390 . 19 1 1 A 43 43 GLY HA2 H 43 3.912 3.747 0.165 1
1 391 . 19 1 1 A 43 43 GLY HA3 H 43 3.822 3.764 0.058 1
1 392 . 19 1 1 A 43 43 GLY C C 43 176.344 176.299 0.045 1
1 393 . 19 1 1 A 43 43 GLY CA C 43 47.070 47.371 -0.301 1
1 394 . 19 1 1 A 43 43 GLY N N 43 106.800 106.847 -0.047 1
1 395 . 19 1 1 A 44 44 ASN H H 44 7.916 7.647 0.269 1
1 396 . 19 1 1 A 44 44 ASN HA H 44 4.472 4.489 -0.017 1
1 401 . 19 1 1 A 44 44 ASN C C 44 177.888 177.758 0.130 1
1 402 . 19 1 1 A 44 44 ASN CA C 44 56.004 56.007 -0.003 1
1 403 . 19 1 1 A 44 44 ASN CB C 44 38.316 38.364 -0.048 1
1 404 . 19 1 1 A 44 44 ASN N N 44 121.472 120.367 1.105 1
1 406 . 19 1 1 A 45 45 PHE H H 45 8.563 8.552 0.011 1
1 407 . 19 1 1 A 45 45 PHE HA H 45 4.498 4.180 0.318 1
1 415 . 19 1 1 A 45 45 PHE C C 45 176.732 177.926 -1.194 1
1 416 . 19 1 1 A 45 45 PHE CA C 45 60.350 61.085 -0.735 1
1 417 . 19 1 1 A 45 45 PHE CB C 45 38.824 39.289 -0.465 1
1 423 . 19 1 1 A 45 45 PHE N N 45 121.835 121.420 0.415 1
1 424 . 19 1 1 A 46 46 GLY H H 46 8.933 8.450 0.483 1
1 425 . 19 1 1 A 46 46 GLY HA2 H 46 3.820 3.403 0.417 1
1 426 . 19 1 1 A 46 46 GLY HA3 H 46 3.186 3.627 -0.441 1
1 427 . 19 1 1 A 46 46 GLY C C 46 176.053 175.698 0.355 1
1 428 . 19 1 1 A 46 46 GLY CA C 46 47.171 46.864 0.307 1
1 429 . 19 1 1 A 46 46 GLY N N 46 106.269 106.656 -0.387 1
1 430 . 19 1 1 A 47 47 ASN H H 47 7.812 7.837 -0.025 1
1 431 . 19 1 1 A 47 47 ASN HA H 47 4.470 4.421 0.049 1
1 436 . 19 1 1 A 47 47 ASN C C 47 178.087 177.336 0.751 1
1 437 . 19 1 1 A 47 47 ASN CA C 47 55.974 56.119 -0.145 1
1 438 . 19 1 1 A 47 47 ASN CB C 47 38.149 39.203 -1.054 1
1 439 . 19 1 1 A 47 47 ASN N N 47 120.030 120.109 -0.079 1
1 441 . 19 1 1 A 48 48 TYR H H 48 8.093 7.933 0.160 1
1 442 . 19 1 1 A 48 48 TYR HA H 48 4.007 4.206 -0.199 1
1 449 . 19 1 1 A 48 48 TYR C C 48 178.310 177.565 0.745 1
1 450 . 19 1 1 A 48 48 TYR CA C 48 62.527 61.067 1.460 1
1 451 . 19 1 1 A 48 48 TYR CB C 48 38.254 38.586 -0.332 1
1 456 . 19 1 1 A 48 48 TYR N N 48 121.030 120.010 1.020 1
1 457 . 19 1 1 A 49 49 LEU H H 49 8.480 8.401 0.079 1
1 458 . 19 1 1 A 49 49 LEU HA H 49 3.624 3.899 -0.275 1
1 468 . 19 1 1 A 49 49 LEU C C 49 177.653 178.416 -0.763 1
1 469 . 19 1 1 A 49 49 LEU CA C 49 58.321 58.046 0.275 1
1 470 . 19 1 1 A 49 49 LEU CB C 49 41.046 40.998 0.048 1
1 474 . 19 1 1 A 49 49 LEU N N 49 121.024 121.115 -0.091 1
1 475 . 19 1 1 A 50 50 ASN H H 50 7.564 7.858 -0.294 1
1 476 . 19 1 1 A 50 50 ASN HA H 50 4.493 4.492 0.001 1
1 481 . 19 1 1 A 50 50 ASN C C 50 176.498 177.638 -1.140 1
1 482 . 19 1 1 A 50 50 ASN CA C 50 55.479 55.773 -0.294 1
1 483 . 19 1 1 A 50 50 ASN CB C 50 39.302 39.208 0.094 1
1 484 . 19 1 1 A 50 50 ASN N N 50 114.582 116.607 -2.025 1
1 486 . 19 1 1 A 51 51 LYS H H 51 7.370 7.763 -0.393 1
1 487 . 19 1 1 A 51 51 LYS HA H 51 3.990 3.961 0.029 1
1 496 . 19 1 1 A 51 51 LYS C C 51 178.403 178.882 -0.479 1
1 497 . 19 1 1 A 51 51 LYS CA C 51 58.512 59.549 -1.037 1
1 498 . 19 1 1 A 51 51 LYS CB C 51 32.245 32.266 -0.021 1
1 502 . 19 1 1 A 51 51 LYS N N 51 118.289 118.790 -0.501 1
1 503 . 19 1 1 A 52 52 LEU H H 52 7.518 7.296 0.222 1
1 504 . 19 1 1 A 52 52 LEU HA H 52 4.085 4.116 -0.031 1
1 514 . 19 1 1 A 52 52 LEU C C 52 177.924 176.643 1.281 1
1 515 . 19 1 1 A 52 52 LEU CA C 52 56.424 56.379 0.045 1
1 516 . 19 1 1 A 52 52 LEU CB C 52 42.952 43.613 -0.661 1
1 520 . 19 1 1 A 52 52 LEU N N 52 117.841 118.546 -0.705 1
1 521 . 19 1 1 A 53 53 GLN H H 53 8.438 7.988 0.450 1
1 522 . 19 1 1 A 53 53 GLN HA H 53 4.583 4.696 -0.113 1
1 529 . 19 1 1 A 53 53 GLN C C 53 172.039 174.118 -2.079 1
1 530 . 19 1 1 A 53 53 GLN CA C 53 52.780 53.519 -0.739 1
1 531 . 19 1 1 A 53 53 GLN CB C 53 29.902 29.099 0.803 1
1 533 . 19 1 1 A 53 53 GLN N N 53 118.578 118.035 0.543 1
1 535 . 19 1 1 A 54 54 PRO HA H 54 4.718 4.477 0.241 1
1 542 . 19 1 1 A 54 54 PRO C C 54 177.295 177.287 0.008 1
1 543 . 19 1 1 A 54 54 PRO CA C 54 64.754 64.239 0.515 1
1 544 . 19 1 1 A 54 54 PRO CB C 54 31.924 31.789 0.135 1
1 547 . 19 1 1 A 55 55 ASP H H 55 8.349 8.404 -0.055 1
1 548 . 19 1 1 A 55 55 ASP HA H 55 4.596 4.739 -0.143 1
1 551 . 19 1 1 A 55 55 ASP C C 55 176.361 176.015 0.346 1
1 552 . 19 1 1 A 55 55 ASP CA C 55 53.467 54.659 -1.192 1
1 553 . 19 1 1 A 55 55 ASP CB C 55 40.050 40.979 -0.929 1
1 554 . 19 1 1 A 55 55 ASP N N 55 114.766 116.492 -1.726 1
1 555 . 19 1 1 A 56 56 PHE H H 56 8.187 7.721 0.466 1
1 556 . 19 1 1 A 56 56 PHE HA H 56 4.055 5.002 -0.947 1
1 564 . 19 1 1 A 56 56 PHE C C 56 175.257 173.694 1.563 1
1 565 . 19 1 1 A 56 56 PHE CA C 56 61.149 56.175 4.974 1
1 566 . 19 1 1 A 56 56 PHE CB C 56 38.680 39.623 -0.943 1
1 572 . 19 1 1 A 56 56 PHE N N 56 122.323 121.026 1.297 1
1 573 . 19 1 1 A 57 57 ASP H H 57 6.887 8.581 -1.694 1
1 574 . 19 1 1 A 57 57 ASP HA H 57 4.670 4.987 -0.317 1
1 577 . 19 1 1 A 57 57 ASP C C 57 176.308 176.809 -0.501 1
1 578 . 19 1 1 A 57 57 ASP CA C 57 52.895 52.661 0.234 1
1 579 . 19 1 1 A 57 57 ASP CB C 57 42.942 43.115 -0.173 1
1 580 . 19 1 1 A 57 57 ASP N N 57 127.342 128.244 -0.902 1
1 581 . 19 1 1 A 58 58 SER H H 58 9.284 8.935 0.349 1
1 582 . 19 1 1 A 58 58 SER HA H 58 3.991 4.137 -0.146 1
1 585 . 19 1 1 A 58 58 SER C C 58 176.248 176.428 -0.180 1
1 586 . 19 1 1 A 58 58 SER CA C 58 63.050 61.584 1.466 1
1 587 . 19 1 1 A 58 58 SER CB C 58 63.339 62.489 0.850 1
1 588 . 19 1 1 A 58 58 SER N N 58 123.478 121.569 1.909 1
1 589 . 19 1 1 A 59 59 ARG H H 59 8.639 7.660 0.979 1
1 590 . 19 1 1 A 59 59 ARG HA H 59 4.073 4.122 -0.049 1
1 597 . 19 1 1 A 59 59 ARG C C 59 180.693 179.075 1.618 1
1 598 . 19 1 1 A 59 59 ARG CA C 59 58.787 58.888 -0.101 1
1 599 . 19 1 1 A 59 59 ARG CB C 59 29.824 29.734 0.090 1
1 602 . 19 1 1 A 59 59 ARG N N 59 123.207 122.849 0.358 1
1 603 . 19 1 1 A 60 60 LEU H H 60 7.460 7.789 -0.329 1
1 604 . 19 1 1 A 60 60 LEU HA H 60 3.841 3.932 -0.091 1
1 614 . 19 1 1 A 60 60 LEU C C 60 177.018 177.764 -0.746 1
1 615 . 19 1 1 A 60 60 LEU CA C 60 56.556 57.490 -0.934 1
1 616 . 19 1 1 A 60 60 LEU CB C 60 41.013 41.446 -0.433 1
1 620 . 19 1 1 A 60 60 LEU N N 60 120.191 118.842 1.349 1
1 621 . 19 1 1 A 61 61 TYR H H 61 7.200 7.709 -0.509 1
1 622 . 19 1 1 A 61 61 TYR HA H 61 4.781 4.694 0.087 1
1 629 . 19 1 1 A 61 61 TYR C C 61 175.303 175.839 -0.536 1
1 630 . 19 1 1 A 61 61 TYR CA C 61 56.371 57.795 -1.424 1
1 631 . 19 1 1 A 61 61 TYR CB C 61 38.825 38.856 -0.031 1
1 636 . 19 1 1 A 61 61 TYR N N 61 114.720 116.291 -1.571 1
1 637 . 19 1 1 A 62 62 GLY H H 62 7.354 7.972 -0.618 1
1 638 . 19 1 1 A 62 62 GLY HA2 H 62 3.968 3.883 0.085 1
1 639 . 19 1 1 A 62 62 GLY HA3 H 62 3.552 3.931 -0.379 1
1 640 . 19 1 1 A 62 62 GLY C C 62 173.542 174.056 -0.514 1
1 641 . 19 1 1 A 62 62 GLY CA C 62 44.889 46.089 -1.200 1
1 642 . 19 1 1 A 62 62 GLY N N 62 104.100 109.261 -5.161 1
1 643 . 19 1 1 A 63 63 TYR H H 63 7.377 7.820 -0.443 1
1 644 . 19 1 1 A 63 63 TYR HA H 63 4.937 4.780 0.157 1
1 651 . 19 1 1 A 63 63 TYR C C 63 175.675 176.217 -0.542 1
1 652 . 19 1 1 A 63 63 TYR CA C 63 56.902 57.561 -0.659 1
1 653 . 19 1 1 A 63 63 TYR CB C 63 42.609 40.855 1.754 1
1 658 . 19 1 1 A 63 63 TYR N N 63 117.874 119.231 -1.357 1
1 659 . 19 1 1 A 64 64 LYS H H 64 9.403 8.795 0.608 1
1 660 . 19 1 1 A 64 64 LYS HA H 64 3.914 4.123 -0.209 1
1 669 . 19 1 1 A 64 64 LYS C C 64 176.334 176.691 -0.357 1
1 670 . 19 1 1 A 64 64 LYS CA C 64 59.534 58.894 0.640 1
1 671 . 19 1 1 A 64 64 LYS CB C 64 32.892 32.672 0.220 1
1 675 . 19 1 1 A 64 64 LYS N N 64 123.946 123.760 0.186 1
1 676 . 19 1 1 A 65 65 LYS H H 65 7.635 7.557 0.078 1
1 677 . 19 1 1 A 65 65 LYS HA H 65 4.787 4.698 0.089 1
1 686 . 19 1 1 A 65 65 LYS C C 65 177.231 176.545 0.686 1
1 687 . 19 1 1 A 65 65 LYS CA C 65 54.089 55.200 -1.111 1
1 688 . 19 1 1 A 65 65 LYS CB C 65 35.722 34.525 1.197 1
1 692 . 19 1 1 A 65 65 LYS N N 65 112.461 114.988 -2.527 1
1 693 . 19 1 1 A 66 66 LEU H H 66 9.090 8.781 0.309 1
1 694 . 19 1 1 A 66 66 LEU HA H 66 4.240 4.012 0.228 1
1 704 . 19 1 1 A 66 66 LEU C C 66 178.820 178.170 0.650 1
1 705 . 19 1 1 A 66 66 LEU CA C 66 58.129 58.308 -0.179 1
1 706 . 19 1 1 A 66 66 LEU CB C 66 41.476 41.331 0.145 1
1 710 . 19 1 1 A 66 66 LEU N N 66 124.584 121.665 2.919 1
1 711 . 19 1 1 A 67 67 SER H H 67 8.867 8.358 0.509 1
1 712 . 19 1 1 A 67 67 SER HA H 67 3.697 4.177 -0.480 1
1 715 . 19 1 1 A 67 67 SER C C 67 175.588 176.174 -0.586 1
1 716 . 19 1 1 A 67 67 SER CA C 67 61.518 61.361 0.157 1
1 717 . 19 1 1 A 67 67 SER CB C 67 61.537 62.477 -0.940 1
1 718 . 19 1 1 A 67 67 SER N N 67 112.095 114.557 -2.462 1
1 719 . 19 1 1 A 68 68 ASP H H 68 6.783 8.382 -1.599 1
1 720 . 19 1 1 A 68 68 ASP HA H 68 4.356 4.479 -0.123 1
1 723 . 19 1 1 A 68 68 ASP C C 68 177.827 178.348 -0.521 1
1 724 . 19 1 1 A 68 68 ASP CA C 68 57.170 57.389 -0.219 1
1 725 . 19 1 1 A 68 68 ASP CB C 68 41.380 42.518 -1.138 1
1 726 . 19 1 1 A 68 68 ASP N N 68 119.720 121.554 -1.834 1
1 727 . 19 1 1 A 69 69 LEU H H 69 7.153 7.448 -0.295 1
1 728 . 19 1 1 A 69 69 LEU HA H 69 2.561 3.110 -0.549 1
1 738 . 19 1 1 A 69 69 LEU C C 69 177.830 178.402 -0.572 1
1 739 . 19 1 1 A 69 69 LEU CA C 69 58.843 57.947 0.896 1
1 740 . 19 1 1 A 69 69 LEU CB C 69 42.203 41.693 0.510 1
1 744 . 19 1 1 A 69 69 LEU N N 69 122.181 120.426 1.755 1
1 745 . 19 1 1 A 70 70 VAL H H 70 8.167 8.112 0.055 1
1 746 . 19 1 1 A 70 70 VAL HA H 70 3.509 3.593 -0.084 1
1 754 . 19 1 1 A 70 70 VAL C C 70 177.695 178.184 -0.489 1
1 755 . 19 1 1 A 70 70 VAL CA C 70 65.582 67.077 -1.495 1
1 756 . 19 1 1 A 70 70 VAL CB C 70 31.409 31.182 0.227 1
1 759 . 19 1 1 A 70 70 VAL N N 70 116.117 119.234 -3.117 1
1 760 . 19 1 1 A 71 71 LYS H H 71 7.665 8.152 -0.487 1
1 761 . 19 1 1 A 71 71 LYS HA H 71 3.854 4.113 -0.259 1
1 770 . 19 1 1 A 71 71 LYS C C 71 177.406 178.632 -1.226 1
1 771 . 19 1 1 A 71 71 LYS CA C 71 59.175 58.779 0.396 1
1 772 . 19 1 1 A 71 71 LYS CB C 71 32.804 31.406 1.398 1
1 776 . 19 1 1 A 71 71 LYS N N 71 116.326 119.745 -3.419 1
1 777 . 19 1 1 A 72 72 ALA H H 72 7.506 7.325 0.181 1
1 778 . 19 1 1 A 72 72 ALA HA H 72 4.391 4.275 0.116 1
1 782 . 19 1 1 A 72 72 ALA C C 72 180.756 178.584 2.172 1
1 783 . 19 1 1 A 72 72 ALA CA C 72 53.691 54.630 -0.939 1
1 784 . 19 1 1 A 72 72 ALA CB C 72 20.243 18.736 1.507 1
1 785 . 19 1 1 A 72 72 ALA N N 72 118.313 121.772 -3.459 1
1 786 . 19 1 1 A 73 73 ARG H H 73 7.603 7.572 0.031 1
1 787 . 19 1 1 A 73 73 ARG HA H 73 4.872 4.662 0.210 1
1 795 . 19 1 1 A 73 73 ARG C C 73 177.558 176.752 0.806 1
1 796 . 19 1 1 A 73 73 ARG CA C 73 51.230 54.725 -3.495 1
1 797 . 19 1 1 A 73 73 ARG CB C 73 25.568 29.042 -3.474 1
1 800 . 19 1 1 A 73 73 ARG N N 73 118.690 115.858 2.832 1
1 802 . 19 1 1 A 74 74 THR H H 74 8.261 7.894 0.367 1
1 803 . 19 1 1 A 74 74 THR HA H 74 4.552 4.579 -0.027 1
1 808 . 19 1 1 A 74 74 THR C C 74 174.706 176.021 -1.315 1
1 809 . 19 1 1 A 74 74 THR CA C 74 62.876 64.433 -1.557 1
1 810 . 19 1 1 A 74 74 THR CB C 74 68.716 68.652 0.064 1
1 812 . 19 1 1 A 74 74 THR N N 74 115.950 112.878 3.072 1
1 813 . 19 1 1 A 75 75 ASP H H 75 9.542 8.116 1.426 1
1 814 . 19 1 1 A 75 75 ASP HA H 75 4.310 4.353 -0.043 1
1 817 . 19 1 1 A 75 75 ASP C C 75 175.958 177.098 -1.140 1
1 818 . 19 1 1 A 75 75 ASP CA C 75 54.476 56.973 -2.497 1
1 819 . 19 1 1 A 75 75 ASP CB C 75 38.969 41.711 -2.742 1
1 820 . 19 1 1 A 75 75 ASP N N 75 116.582 122.101 -5.519 1
1 821 . 19 1 1 A 76 76 LEU H H 76 7.078 7.461 -0.383 1
1 822 . 19 1 1 A 76 76 LEU HA H 76 4.225 3.924 0.301 1
1 832 . 19 1 1 A 76 76 LEU C C 76 177.244 176.088 1.156 1
1 833 . 19 1 1 A 76 76 LEU CA C 76 55.349 55.861 -0.512 1
1 834 . 19 1 1 A 76 76 LEU CB C 76 43.508 43.082 0.426 1
1 838 . 19 1 1 A 76 76 LEU N N 76 117.639 117.400 0.239 1
1 839 . 19 1 1 A 77 77 PHE H H 77 7.977 7.413 0.564 1
1 840 . 19 1 1 A 77 77 PHE HA H 77 5.648 5.098 0.550 1
1 848 . 19 1 1 A 77 77 PHE C C 77 175.868 175.068 0.800 1
1 849 . 19 1 1 A 77 77 PHE CA C 77 54.878 56.501 -1.623 1
1 850 . 19 1 1 A 77 77 PHE CB C 77 42.833 42.184 0.649 1
1 856 . 19 1 1 A 77 77 PHE N N 77 115.989 115.177 0.812 1
1 857 . 19 1 1 A 78 78 VAL H H 78 8.863 9.069 -0.206 1
1 858 . 19 1 1 A 78 78 VAL HA H 78 4.425 4.453 -0.028 1
1 866 . 19 1 1 A 78 78 VAL C C 78 175.288 175.730 -0.442 1
1 867 . 19 1 1 A 78 78 VAL CA C 78 61.575 62.638 -1.063 1
1 868 . 19 1 1 A 78 78 VAL CB C 78 33.988 31.674 2.314 1
1 871 . 19 1 1 A 78 78 VAL N N 78 123.339 123.346 -0.007 1
1 872 . 19 1 1 A 79 79 THR H H 79 8.305 8.991 -0.686 1
1 873 . 19 1 1 A 79 79 THR HA H 79 5.882 5.536 0.346 1
1 878 . 19 1 1 A 79 79 THR C C 79 174.566 173.879 0.687 1
1 879 . 19 1 1 A 79 79 THR CA C 79 59.476 60.512 -1.036 1
1 880 . 19 1 1 A 79 79 THR CB C 79 73.090 70.685 2.405 1
1 882 . 19 1 1 A 79 79 THR N N 79 113.057 119.766 -6.709 1
1 883 . 19 1 1 A 80 80 GLU H H 80 8.962 8.618 0.344 1
1 884 . 19 1 1 A 80 80 GLU HA H 80 4.589 4.886 -0.297 1
1 889 . 19 1 1 A 80 80 GLU C C 80 174.040 175.793 -1.753 1
1 890 . 19 1 1 A 80 80 GLU CA C 80 55.878 55.294 0.584 1
1 891 . 19 1 1 A 80 80 GLU CB C 80 33.399 33.546 -0.147 1
1 893 . 19 1 1 A 80 80 GLU N N 80 117.934 122.886 -4.952 1
1 894 . 19 1 1 A 81 81 GLU H H 81 8.687 8.800 -0.113 1
1 895 . 19 1 1 A 81 81 GLU HA H 81 5.213 4.819 0.394 1
1 900 . 19 1 1 A 81 81 GLU C C 81 176.406 175.903 0.503 1
1 901 . 19 1 1 A 81 81 GLU CA C 81 55.186 56.362 -1.176 1
1 902 . 19 1 1 A 81 81 GLU CB C 81 31.544 30.707 0.837 1
1 904 . 19 1 1 A 81 81 GLU N N 81 122.400 123.257 -0.857 1
1 905 . 19 1 1 A 82 82 ARG H H 82 9.118 9.186 -0.068 1
1 906 . 19 1 1 A 82 82 ARG HA H 82 4.635 4.785 -0.150 1
1 914 . 19 1 1 A 82 82 ARG C C 82 175.222 174.754 0.468 1
1 915 . 19 1 1 A 82 82 ARG CA C 82 54.746 54.285 0.461 1
1 916 . 19 1 1 A 82 82 ARG CB C 82 33.719 32.719 1.000 1
1 919 . 19 1 1 A 82 82 ARG N N 82 121.851 123.910 -2.059 1
1 921 . 19 1 1 A 83 83 GLN H H 83 8.642 8.497 0.145 1
1 922 . 19 1 1 A 83 83 GLN HA H 83 4.340 4.583 -0.243 1
1 927 . 19 1 1 A 83 83 GLN C C 83 175.705 175.677 0.028 1
1 928 . 19 1 1 A 83 83 GLN CA C 83 56.094 55.788 0.306 1
1 929 . 19 1 1 A 83 83 GLN CB C 83 29.424 29.838 -0.414 1
1 931 . 19 1 1 A 83 83 GLN N N 83 121.976 122.191 -0.215 1
1 932 . 19 1 1 A 84 84 VAL H H 84 8.818 8.159 0.659 1
1 933 . 19 1 1 A 84 84 VAL HA H 84 4.399 4.535 -0.136 1
1 941 . 19 1 1 A 84 84 VAL C C 84 174.439 174.526 -0.087 1
1 942 . 19 1 1 A 84 84 VAL CA C 84 59.977 59.441 0.536 1
1 943 . 19 1 1 A 84 84 VAL CB C 84 32.948 32.010 0.938 1
1 946 . 19 1 1 A 84 84 VAL N N 84 128.548 126.249 2.299 1
1 947 . 19 1 1 A 85 85 PRO HA H 85 4.313 4.263 0.050 1
1 954 . 19 1 1 A 85 85 PRO C C 85 178.026 177.331 0.695 1
1 955 . 19 1 1 A 85 85 PRO CA C 85 64.139 64.008 0.131 1
1 956 . 19 1 1 A 85 85 PRO CB C 85 31.744 31.517 0.227 1
1 959 . 19 1 1 A 86 86 GLY H H 86 8.815 8.753 0.062 1
1 960 . 19 1 1 A 86 86 GLY HA2 H 86 3.751 3.972 -0.221 1
1 961 . 19 1 1 A 86 86 GLY HA3 H 86 4.148 3.974 0.174 1
1 962 . 19 1 1 A 86 86 GLY C C 86 173.673 173.424 0.249 1
1 963 . 19 1 1 A 86 86 GLY CA C 86 45.661 45.720 -0.059 1
1 964 . 19 1 1 A 86 86 GLY N N 86 111.839 113.221 -1.382 1
1 965 . 19 1 1 A 87 87 SER H H 87 8.029 7.915 0.114 1
1 966 . 19 1 1 A 87 87 SER HA H 87 4.955 4.762 0.193 1
1 969 . 19 1 1 A 87 87 SER C C 87 174.293 174.271 0.022 1
1 970 . 19 1 1 A 87 87 SER CA C 87 56.119 57.501 -1.382 1
1 971 . 19 1 1 A 87 87 SER CB C 87 65.288 65.576 -0.288 1
1 972 . 19 1 1 A 87 87 SER N N 87 114.255 115.853 -1.598 1
1 973 . 19 1 1 A 88 88 THR H H 88 8.366 8.448 -0.082 1
1 974 . 19 1 1 A 88 88 THR HA H 88 4.438 4.303 0.135 1
1 979 . 19 1 1 A 88 88 THR C C 88 175.360 174.444 0.916 1
1 980 . 19 1 1 A 88 88 THR CA C 88 62.103 63.712 -1.609 1
1 981 . 19 1 1 A 88 88 THR CB C 88 69.017 69.561 -0.544 1
1 983 . 19 1 1 A 88 88 THR N N 88 112.921 119.129 -6.208 1
1 984 . 19 1 1 A 89 89 GLN H H 89 8.342 7.523 0.819 1
1 985 . 19 1 1 A 89 89 GLN HA H 89 4.382 4.648 -0.266 1
1 990 . 19 1 1 A 89 89 GLN C C 89 175.462 175.489 -0.027 1
1 991 . 19 1 1 A 89 89 GLN CA C 89 55.599 55.083 0.516 1
1 992 . 19 1 1 A 89 89 GLN CB C 89 30.016 30.291 -0.275 1
1 994 . 19 1 1 A 89 89 GLN N N 89 122.086 117.410 4.676 1
1 995 . 19 1 1 A 90 90 LYS H H 90 8.584 8.952 -0.368 1
1 996 . 19 1 1 A 90 90 LYS HA H 90 4.779 5.050 -0.271 1
1 1005 . 19 1 1 A 90 90 LYS C C 90 175.897 174.901 0.996 1
1 1006 . 19 1 1 A 90 90 LYS CA C 90 55.590 54.614 0.976 1
1 1007 . 19 1 1 A 90 90 LYS CB C 90 34.742 35.549 -0.807 1
1 1011 . 19 1 1 A 90 90 LYS N N 90 121.945 119.317 2.628 1
1 1012 . 19 1 1 A 91 91 ALA H H 91 8.975 9.293 -0.318 1
1 1013 . 19 1 1 A 91 91 ALA HA H 91 4.738 5.255 -0.517 1
1 1017 . 19 1 1 A 91 91 ALA C C 91 175.585 175.880 -0.295 1
1 1018 . 19 1 1 A 91 91 ALA CA C 91 50.741 50.062 0.679 1
1 1019 . 19 1 1 A 91 91 ALA CB C 91 22.890 21.220 1.670 1
1 1020 . 19 1 1 A 91 91 ALA N N 91 124.604 123.426 1.178 1
1 1021 . 19 1 1 A 92 92 LEU H H 92 8.523 8.632 -0.109 1
1 1022 . 19 1 1 A 92 92 LEU HA H 92 4.707 4.674 0.033 1
1 1032 . 19 1 1 A 92 92 LEU C C 92 174.752 174.178 0.574 1
1 1033 . 19 1 1 A 92 92 LEU CA C 92 55.285 54.866 0.419 1
1 1034 . 19 1 1 A 92 92 LEU CB C 92 43.267 42.881 0.386 1
1 1038 . 19 1 1 A 92 92 LEU N N 92 123.888 125.212 -1.324 1
1 1039 . 19 1 1 A 93 93 TYR H H 93 9.289 9.169 0.120 1
1 1040 . 19 1 1 A 93 93 TYR HA H 93 5.269 5.386 -0.117 1
1 1047 . 19 1 1 A 93 93 TYR C C 93 174.528 175.476 -0.948 1
1 1048 . 19 1 1 A 93 93 TYR CA C 93 56.505 56.704 -0.199 1
1 1049 . 19 1 1 A 93 93 TYR CB C 93 41.881 41.512 0.369 1
1 1054 . 19 1 1 A 93 93 TYR N N 93 126.872 127.422 -0.550 1
1 1055 . 19 1 1 A 94 94 LEU H H 94 9.551 9.255 0.296 1
1 1056 . 19 1 1 A 94 94 LEU HA H 94 5.869 5.408 0.461 1
1 1066 . 19 1 1 A 94 94 LEU C C 94 173.433 174.774 -1.341 1
1 1067 . 19 1 1 A 94 94 LEU CA C 94 54.131 53.425 0.706 1
1 1068 . 19 1 1 A 94 94 LEU CB C 94 46.320 45.640 0.680 1
1 1072 . 19 1 1 A 94 94 LEU N N 94 117.884 122.856 -4.972 1
1 1073 . 19 1 1 A 95 95 ARG H H 95 8.603 8.658 -0.055 1
1 1074 . 19 1 1 A 95 95 ARG HA H 95 4.707 4.847 -0.140 1
1 1082 . 19 1 1 A 95 95 ARG C C 95 174.605 174.699 -0.094 1
1 1083 . 19 1 1 A 95 95 ARG CA C 95 53.795 53.856 -0.061 1
1 1084 . 19 1 1 A 95 95 ARG CB C 95 33.468 33.408 0.060 1
1 1087 . 19 1 1 A 95 95 ARG N N 95 116.939 120.697 -3.758 1
1 1089 . 19 1 1 A 96 96 ALA H H 96 9.072 8.475 0.597 1
1 1090 . 19 1 1 A 96 96 ALA HA H 96 4.404 4.356 0.048 1
1 1094 . 19 1 1 A 96 96 ALA C C 96 177.811 176.940 0.871 1
1 1095 . 19 1 1 A 96 96 ALA CA C 96 52.324 52.298 0.026 1
1 1096 . 19 1 1 A 96 96 ALA CB C 96 18.248 19.047 -0.799 1
1 1097 . 19 1 1 A 96 96 ALA N N 96 124.914 123.738 1.176 1
1 1098 . 19 1 1 A 97 97 LYS H H 97 7.989 7.979 0.010 1
1 1099 . 19 1 1 A 97 97 LYS HA H 97 3.922 4.429 -0.507 1
1 1108 . 19 1 1 A 97 97 LYS C C 97 175.978 174.637 1.341 1
1 1109 . 19 1 1 A 97 97 LYS CA C 97 56.915 56.143 0.772 1
1 1110 . 19 1 1 A 97 97 LYS CB C 97 32.864 32.631 0.233 1
1 1114 . 19 1 1 A 97 97 LYS N N 97 123.129 122.748 0.381 1
1 1115 . 19 1 1 A 98 98 LEU H H 98 8.118 8.859 -0.741 1
1 1116 . 19 1 1 A 98 98 LEU HA H 98 4.321 4.443 -0.122 1
1 1126 . 19 1 1 A 98 98 LEU C C 98 176.592 176.034 0.558 1
1 1127 . 19 1 1 A 98 98 LEU CA C 98 54.627 54.360 0.267 1
1 1128 . 19 1 1 A 98 98 LEU CB C 98 42.566 41.057 1.509 1
1 1132 . 19 1 1 A 98 98 LEU N N 98 123.816 128.596 -4.780 1
1 1133 . 19 1 1 A 99 99 GLU H H 99 8.376 8.407 -0.031 1
1 1134 . 19 1 1 A 99 99 GLU C C 99 175.790 178.761 -2.971 1
1 1 . 20 1 1 A 5 5 SER H H 5 8.350 8.935 -0.585 1
1 2 . 20 1 1 A 5 5 SER N N 5 116.816 123.186 -6.370 1
1 3 . 20 1 1 A 9 9 GLN H H 9 8.479 8.739 -0.260 1
1 4 . 20 1 1 A 9 9 GLN N N 9 121.973 119.555 2.418 1
1 5 . 20 1 1 A 10 10 PRO HA H 10 4.392 4.928 -0.536 1
1 8 . 20 1 1 A 10 10 PRO C C 10 176.702 176.021 0.681 1
1 9 . 20 1 1 A 10 10 PRO CA C 10 63.029 62.261 0.768 1
1 10 . 20 1 1 A 10 10 PRO CB C 10 32.056 32.044 0.012 1
1 11 . 20 1 1 A 11 11 ALA H H 11 8.421 8.654 -0.233 1
1 12 . 20 1 1 A 11 11 ALA HA H 11 4.254 4.745 -0.491 1
1 16 . 20 1 1 A 11 11 ALA C C 11 177.592 175.467 2.125 1
1 17 . 20 1 1 A 11 11 ALA CA C 11 52.405 50.899 1.506 1
1 18 . 20 1 1 A 11 11 ALA CB C 11 19.242 20.648 -1.406 1
1 19 . 20 1 1 A 11 11 ALA N N 11 124.566 125.581 -1.015 1
1 20 . 20 1 1 A 12 12 ALA H H 12 8.297 8.630 -0.333 1
1 21 . 20 1 1 A 12 12 ALA HA H 12 4.278 4.409 -0.131 1
1 25 . 20 1 1 A 12 12 ALA C C 12 177.607 176.330 1.277 1
1 26 . 20 1 1 A 12 12 ALA CA C 12 52.402 51.965 0.437 1
1 27 . 20 1 1 A 12 12 ALA CB C 12 19.397 18.347 1.050 1
1 28 . 20 1 1 A 12 12 ALA N N 12 123.470 126.674 -3.204 1
1 29 . 20 1 1 A 13 13 GLN H H 13 8.302 8.454 -0.152 1
1 30 . 20 1 1 A 13 13 GLN HA H 13 4.304 4.738 -0.434 1
1 33 . 20 1 1 A 13 13 GLN C C 13 175.344 175.311 0.033 1
1 34 . 20 1 1 A 13 13 GLN CA C 13 55.396 54.273 1.123 1
1 35 . 20 1 1 A 13 13 GLN CB C 13 29.738 31.828 -2.090 1
1 36 . 20 1 1 A 13 13 GLN N N 13 119.718 122.359 -2.641 1
1 37 . 20 1 1 A 14 14 ALA H H 14 8.405 8.601 -0.196 1
1 38 . 20 1 1 A 14 14 ALA HA H 14 4.580 4.402 0.178 1
1 42 . 20 1 1 A 14 14 ALA C C 14 175.619 176.100 -0.481 1
1 43 . 20 1 1 A 14 14 ALA CA C 14 50.607 50.739 -0.132 1
1 44 . 20 1 1 A 14 14 ALA CB C 14 18.031 18.541 -0.510 1
1 45 . 20 1 1 A 14 14 ALA N N 14 127.291 126.180 1.111 1
1 46 . 20 1 1 A 15 15 PRO HA H 15 4.399 4.502 -0.103 1
1 49 . 20 1 1 A 15 15 PRO C C 15 177.086 176.111 0.975 1
1 50 . 20 1 1 A 15 15 PRO CA C 15 63.294 63.002 0.292 1
1 51 . 20 1 1 A 15 15 PRO CB C 15 31.988 32.035 -0.047 1
1 52 . 20 1 1 A 16 16 GLU H H 16 8.656 8.672 -0.016 1
1 53 . 20 1 1 A 16 16 GLU HA H 16 4.306 4.567 -0.261 1
1 56 . 20 1 1 A 16 16 GLU C C 16 176.897 176.088 0.809 1
1 57 . 20 1 1 A 16 16 GLU CA C 16 56.771 55.729 1.042 1
1 58 . 20 1 1 A 16 16 GLU CB C 16 30.209 31.655 -1.446 1
1 59 . 20 1 1 A 16 16 GLU N N 16 120.957 121.480 -0.523 1
1 60 . 20 1 1 A 17 17 THR H H 17 8.202 8.424 -0.222 1
1 61 . 20 1 1 A 17 17 THR HA H 17 4.336 4.236 0.100 1
1 66 . 20 1 1 A 17 17 THR C C 17 174.612 173.258 1.354 1
1 67 . 20 1 1 A 17 17 THR CA C 17 61.981 63.618 -1.637 1
1 68 . 20 1 1 A 17 17 THR CB C 17 69.928 68.061 1.867 1
1 70 . 20 1 1 A 17 17 THR N N 17 115.763 119.306 -3.543 1
1 71 . 20 1 1 A 18 18 LYS H H 18 8.373 8.409 -0.036 1
1 72 . 20 1 1 A 18 18 LYS HA H 18 4.365 4.891 -0.526 1
1 81 . 20 1 1 A 18 18 LYS C C 18 176.509 175.464 1.045 1
1 82 . 20 1 1 A 18 18 LYS CA C 18 56.348 54.629 1.719 1
1 83 . 20 1 1 A 18 18 LYS CB C 18 33.051 34.694 -1.643 1
1 87 . 20 1 1 A 18 18 LYS N N 18 123.975 128.071 -4.096 1
1 88 . 20 1 1 A 19 19 GLN H H 19 8.387 8.585 -0.198 1
1 89 . 20 1 1 A 19 19 GLN HA H 19 4.378 4.491 -0.113 1
1 96 . 20 1 1 A 19 19 GLN C C 19 175.630 175.567 0.063 1
1 97 . 20 1 1 A 19 19 GLN CA C 19 55.614 55.361 0.253 1
1 98 . 20 1 1 A 19 19 GLN CB C 19 29.749 29.653 0.096 1
1 100 . 20 1 1 A 19 19 GLN N N 19 121.480 126.274 -4.794 1
1 102 . 20 1 1 A 20 20 ALA H H 20 8.505 8.686 -0.181 1
1 103 . 20 1 1 A 20 20 ALA HA H 20 4.449 4.962 -0.513 1
1 107 . 20 1 1 A 20 20 ALA C C 20 177.361 177.134 0.227 1
1 108 . 20 1 1 A 20 20 ALA CA C 20 52.165 50.488 1.677 1
1 109 . 20 1 1 A 20 20 ALA CB C 20 19.253 20.369 -1.116 1
1 110 . 20 1 1 A 20 20 ALA N N 20 125.974 123.375 2.599 1
1 111 . 20 1 1 A 21 21 PHE H H 21 8.851 8.978 -0.127 1
1 112 . 20 1 1 A 21 21 PHE HA H 21 4.422 4.794 -0.372 1
1 120 . 20 1 1 A 21 21 PHE C C 21 176.063 174.624 1.439 1
1 121 . 20 1 1 A 21 21 PHE CA C 21 56.142 57.330 -1.188 1
1 122 . 20 1 1 A 21 21 PHE CB C 21 39.867 39.239 0.628 1
1 128 . 20 1 1 A 21 21 PHE N N 21 124.486 122.358 2.128 1
1 129 . 20 1 1 A 22 22 PRO HA H 22 4.856 4.966 -0.110 1
1 136 . 20 1 1 A 22 22 PRO C C 22 174.848 177.177 -2.329 1
1 137 . 20 1 1 A 22 22 PRO CA C 22 62.078 62.419 -0.341 1
1 138 . 20 1 1 A 22 22 PRO CB C 22 28.563 30.880 -2.317 1
1 141 . 20 1 1 A 23 23 ARG H H 23 8.356 8.594 -0.238 1
1 142 . 20 1 1 A 23 23 ARG HA H 23 3.650 4.070 -0.420 1
1 149 . 20 1 1 A 23 23 ARG C C 23 176.762 178.658 -1.896 1
1 150 . 20 1 1 A 23 23 ARG CA C 23 60.448 58.416 2.032 1
1 151 . 20 1 1 A 23 23 ARG CB C 23 31.422 29.857 1.565 1
1 154 . 20 1 1 A 23 23 ARG N N 23 126.815 124.072 2.743 1
1 155 . 20 1 1 A 24 24 LYS H H 24 8.555 7.977 0.578 1
1 156 . 20 1 1 A 24 24 LYS HA H 24 3.926 4.002 -0.076 1
1 165 . 20 1 1 A 24 24 LYS C C 24 179.506 179.400 0.106 1
1 166 . 20 1 1 A 24 24 LYS CA C 24 59.888 59.445 0.443 1
1 167 . 20 1 1 A 24 24 LYS CB C 24 31.782 32.121 -0.339 1
1 171 . 20 1 1 A 24 24 LYS N N 24 116.573 119.502 -2.929 1
1 172 . 20 1 1 A 25 25 PHE H H 25 7.575 8.271 -0.696 1
1 173 . 20 1 1 A 25 25 PHE HA H 25 4.487 4.324 0.163 1
1 181 . 20 1 1 A 25 25 PHE C C 25 177.447 178.284 -0.837 1
1 182 . 20 1 1 A 25 25 PHE CA C 25 59.779 60.435 -0.656 1
1 183 . 20 1 1 A 25 25 PHE CB C 25 38.791 38.263 0.528 1
1 189 . 20 1 1 A 25 25 PHE N N 25 118.123 119.222 -1.099 1
1 190 . 20 1 1 A 26 26 VAL H H 26 8.024 8.060 -0.036 1
1 191 . 20 1 1 A 26 26 VAL HA H 26 3.608 3.669 -0.061 1
1 199 . 20 1 1 A 26 26 VAL C C 26 177.770 178.204 -0.434 1
1 200 . 20 1 1 A 26 26 VAL CA C 26 66.473 66.835 -0.362 1
1 201 . 20 1 1 A 26 26 VAL CB C 26 31.408 31.819 -0.411 1
1 204 . 20 1 1 A 26 26 VAL N N 26 117.081 119.187 -2.106 1
1 205 . 20 1 1 A 27 27 LEU H H 27 8.220 8.642 -0.422 1
1 206 . 20 1 1 A 27 27 LEU HA H 27 4.234 4.137 0.097 1
1 216 . 20 1 1 A 27 27 LEU C C 27 180.010 179.231 0.779 1
1 217 . 20 1 1 A 27 27 LEU CA C 27 57.864 57.891 -0.027 1
1 218 . 20 1 1 A 27 27 LEU CB C 27 40.488 41.179 -0.691 1
1 222 . 20 1 1 A 27 27 LEU N N 27 118.748 117.916 0.832 1
1 223 . 20 1 1 A 28 28 ALA H H 28 8.014 8.239 -0.225 1
1 224 . 20 1 1 A 28 28 ALA HA H 28 4.289 4.047 0.242 1
1 228 . 20 1 1 A 28 28 ALA C C 28 179.951 179.064 0.887 1
1 229 . 20 1 1 A 28 28 ALA CA C 28 55.110 55.733 -0.623 1
1 230 . 20 1 1 A 28 28 ALA CB C 28 17.970 17.808 0.162 1
1 231 . 20 1 1 A 28 28 ALA N N 28 124.088 122.059 2.029 1
1 232 . 20 1 1 A 29 29 ALA H H 29 8.259 8.258 0.001 1
1 233 . 20 1 1 A 29 29 ALA HA H 29 3.942 4.549 -0.607 1
1 237 . 20 1 1 A 29 29 ALA C C 29 180.505 180.163 0.342 1
1 238 . 20 1 1 A 29 29 ALA CA C 29 54.976 55.319 -0.343 1
1 239 . 20 1 1 A 29 29 ALA CB C 29 17.923 18.108 -0.185 1
1 240 . 20 1 1 A 29 29 ALA N N 29 120.431 120.955 -0.524 1
1 241 . 20 1 1 A 30 30 LEU H H 30 8.098 8.483 -0.385 1
1 242 . 20 1 1 A 30 30 LEU HA H 30 4.007 4.298 -0.291 1
1 252 . 20 1 1 A 30 30 LEU C C 30 178.315 178.463 -0.148 1
1 253 . 20 1 1 A 30 30 LEU CA C 30 58.096 58.249 -0.153 1
1 254 . 20 1 1 A 30 30 LEU CB C 30 41.486 41.902 -0.416 1
1 258 . 20 1 1 A 30 30 LEU N N 30 120.849 120.590 0.259 1
1 259 . 20 1 1 A 31 31 GLU H H 31 8.115 9.058 -0.943 1
1 260 . 20 1 1 A 31 31 GLU HA H 31 3.967 4.066 -0.099 1
1 265 . 20 1 1 A 31 31 GLU C C 31 179.473 177.845 1.628 1
1 266 . 20 1 1 A 31 31 GLU CA C 31 59.683 58.471 1.212 1
1 267 . 20 1 1 A 31 31 GLU CB C 31 29.402 28.103 1.299 1
1 269 . 20 1 1 A 31 31 GLU N N 31 120.752 117.373 3.379 1
1 270 . 20 1 1 A 32 32 GLN H H 32 7.812 7.707 0.105 1
1 271 . 20 1 1 A 32 32 GLN HA H 32 4.001 4.068 -0.067 1
1 278 . 20 1 1 A 32 32 GLN C C 32 176.519 176.365 0.154 1
1 279 . 20 1 1 A 32 32 GLN CA C 32 57.576 57.832 -0.256 1
1 280 . 20 1 1 A 32 32 GLN CB C 32 29.108 28.803 0.305 1
1 282 . 20 1 1 A 32 32 GLN N N 32 114.711 118.173 -3.462 1
1 284 . 20 1 1 A 33 33 SER H H 33 7.460 7.707 -0.247 1
1 285 . 20 1 1 A 33 33 SER HA H 33 4.257 4.487 -0.230 1
1 288 . 20 1 1 A 33 33 SER C C 33 174.508 174.150 0.358 1
1 289 . 20 1 1 A 33 33 SER CA C 33 58.504 58.096 0.408 1
1 290 . 20 1 1 A 33 33 SER CB C 33 65.131 63.728 1.403 1
1 291 . 20 1 1 A 33 33 SER N N 33 110.604 114.806 -4.202 1
1 292 . 20 1 1 A 34 34 SER H H 34 7.429 7.580 -0.151 1
1 293 . 20 1 1 A 34 34 SER HA H 34 4.468 4.606 -0.138 1
1 296 . 20 1 1 A 34 34 SER C C 34 174.588 174.157 0.431 1
1 297 . 20 1 1 A 34 34 SER CA C 34 58.556 58.822 -0.266 1
1 298 . 20 1 1 A 34 34 SER CB C 34 65.278 64.047 1.231 1
1 299 . 20 1 1 A 34 34 SER N N 34 117.544 117.143 0.401 1
1 300 . 20 1 1 A 35 35 ASP H H 35 8.822 9.417 -0.595 1
1 301 . 20 1 1 A 35 35 ASP HA H 35 4.778 4.754 0.024 1
1 304 . 20 1 1 A 35 35 ASP C C 35 178.268 177.573 0.695 1
1 305 . 20 1 1 A 35 35 ASP CA C 35 52.849 54.336 -1.487 1
1 306 . 20 1 1 A 35 35 ASP CB C 35 41.314 41.997 -0.683 1
1 307 . 20 1 1 A 35 35 ASP N N 35 121.575 123.666 -2.091 1
1 308 . 20 1 1 A 36 36 ASP H H 36 8.483 9.101 -0.618 1
1 309 . 20 1 1 A 36 36 ASP HA H 36 4.414 4.307 0.107 1
1 312 . 20 1 1 A 36 36 ASP C C 36 176.670 177.233 -0.563 1
1 313 . 20 1 1 A 36 36 ASP CA C 36 56.605 57.344 -0.739 1
1 314 . 20 1 1 A 36 36 ASP CB C 36 40.286 40.508 -0.222 1
1 315 . 20 1 1 A 36 36 ASP N N 36 117.398 123.257 -5.859 1
1 316 . 20 1 1 A 37 37 ALA H H 37 8.242 7.586 0.656 1
1 317 . 20 1 1 A 37 37 ALA HA H 37 4.532 4.379 0.153 1
1 321 . 20 1 1 A 37 37 ALA C C 37 177.407 177.808 -0.401 1
1 322 . 20 1 1 A 37 37 ALA CA C 37 51.677 52.015 -0.338 1
1 323 . 20 1 1 A 37 37 ALA CB C 37 19.774 19.344 0.430 1
1 324 . 20 1 1 A 37 37 ALA N N 37 122.052 118.488 3.564 1
1 325 . 20 1 1 A 38 38 GLY H H 38 8.155 8.832 -0.677 1
1 326 . 20 1 1 A 38 38 GLY HA2 H 38 3.624 3.766 -0.142 1
1 327 . 20 1 1 A 38 38 GLY HA3 H 38 4.080 3.820 0.260 1
1 328 . 20 1 1 A 38 38 GLY C C 38 173.417 173.572 -0.155 1
1 329 . 20 1 1 A 38 38 GLY CA C 38 45.093 45.789 -0.696 1
1 330 . 20 1 1 A 38 38 GLY N N 38 107.721 107.279 0.442 1
1 331 . 20 1 1 A 39 39 TRP H H 39 8.449 7.918 0.531 1
1 332 . 20 1 1 A 39 39 TRP HA H 39 5.054 5.201 -0.147 1
1 341 . 20 1 1 A 39 39 TRP C C 39 176.577 175.309 1.268 1
1 342 . 20 1 1 A 39 39 TRP CA C 39 56.596 56.063 0.533 1
1 343 . 20 1 1 A 39 39 TRP CB C 39 32.184 33.339 -1.155 1
1 349 . 20 1 1 A 39 39 TRP N N 39 119.797 119.700 0.097 1
1 351 . 20 1 1 A 40 40 ALA H H 40 9.855 9.114 0.741 1
1 352 . 20 1 1 A 40 40 ALA HA H 40 5.099 5.269 -0.170 1
1 356 . 20 1 1 A 40 40 ALA C C 40 176.165 176.703 -0.538 1
1 357 . 20 1 1 A 40 40 ALA CA C 40 50.202 50.449 -0.247 1
1 358 . 20 1 1 A 40 40 ALA CB C 40 23.153 20.930 2.223 1
1 359 . 20 1 1 A 40 40 ALA N N 40 124.618 126.075 -1.457 1
1 360 . 20 1 1 A 41 41 ASN H H 41 8.794 8.561 0.233 1
1 361 . 20 1 1 A 41 41 ASN HA H 41 3.771 4.187 -0.416 1
1 366 . 20 1 1 A 41 41 ASN C C 41 175.824 176.320 -0.496 1
1 367 . 20 1 1 A 41 41 ASN CA C 41 52.724 53.253 -0.529 1
1 368 . 20 1 1 A 41 41 ASN CB C 41 39.927 39.887 0.040 1
1 369 . 20 1 1 A 41 41 ASN N N 41 121.050 121.776 -0.726 1
1 371 . 20 1 1 A 42 42 LEU H H 42 8.493 8.578 -0.085 1
1 372 . 20 1 1 A 42 42 LEU HA H 42 3.834 4.054 -0.220 1
1 382 . 20 1 1 A 42 42 LEU C C 42 178.256 178.751 -0.495 1
1 383 . 20 1 1 A 42 42 LEU CA C 42 58.859 58.347 0.512 1
1 384 . 20 1 1 A 42 42 LEU CB C 42 42.233 41.880 0.353 1
1 388 . 20 1 1 A 42 42 LEU N N 42 126.418 128.942 -2.524 1
1 389 . 20 1 1 A 43 43 GLY H H 43 8.440 8.215 0.225 1
1 390 . 20 1 1 A 43 43 GLY HA2 H 43 3.912 3.773 0.139 1
1 391 . 20 1 1 A 43 43 GLY HA3 H 43 3.822 3.789 0.033 1
1 392 . 20 1 1 A 43 43 GLY C C 43 176.344 175.952 0.392 1
1 393 . 20 1 1 A 43 43 GLY CA C 43 47.070 47.312 -0.242 1
1 394 . 20 1 1 A 43 43 GLY N N 43 106.800 106.776 0.024 1
1 395 . 20 1 1 A 44 44 ASN H H 44 7.916 7.553 0.363 1
1 396 . 20 1 1 A 44 44 ASN HA H 44 4.472 4.495 -0.023 1
1 401 . 20 1 1 A 44 44 ASN C C 44 177.888 177.982 -0.094 1
1 402 . 20 1 1 A 44 44 ASN CA C 44 56.004 56.030 -0.026 1
1 403 . 20 1 1 A 44 44 ASN CB C 44 38.316 37.554 0.762 1
1 404 . 20 1 1 A 44 44 ASN N N 44 121.472 120.044 1.428 1
1 406 . 20 1 1 A 45 45 PHE H H 45 8.563 8.173 0.390 1
1 407 . 20 1 1 A 45 45 PHE HA H 45 4.498 4.311 0.187 1
1 415 . 20 1 1 A 45 45 PHE C C 45 176.732 178.015 -1.283 1
1 416 . 20 1 1 A 45 45 PHE CA C 45 60.350 60.257 0.093 1
1 417 . 20 1 1 A 45 45 PHE CB C 45 38.824 38.950 -0.126 1
1 423 . 20 1 1 A 45 45 PHE N N 45 121.835 122.375 -0.540 1
1 424 . 20 1 1 A 46 46 GLY H H 46 8.933 8.949 -0.016 1
1 425 . 20 1 1 A 46 46 GLY HA2 H 46 3.820 3.622 0.198 1
1 426 . 20 1 1 A 46 46 GLY HA3 H 46 3.186 3.776 -0.590 1
1 427 . 20 1 1 A 46 46 GLY C C 46 176.053 175.558 0.495 1
1 428 . 20 1 1 A 46 46 GLY CA C 46 47.171 46.976 0.195 1
1 429 . 20 1 1 A 46 46 GLY N N 46 106.269 106.431 -0.162 1
1 430 . 20 1 1 A 47 47 ASN H H 47 7.812 7.579 0.233 1
1 431 . 20 1 1 A 47 47 ASN HA H 47 4.470 4.492 -0.022 1
1 436 . 20 1 1 A 47 47 ASN C C 47 178.087 176.995 1.092 1
1 437 . 20 1 1 A 47 47 ASN CA C 47 55.974 55.854 0.120 1
1 438 . 20 1 1 A 47 47 ASN CB C 47 38.149 38.962 -0.813 1
1 439 . 20 1 1 A 47 47 ASN N N 47 120.030 120.224 -0.194 1
1 441 . 20 1 1 A 48 48 TYR H H 48 8.093 8.385 -0.292 1
1 442 . 20 1 1 A 48 48 TYR HA H 48 4.007 4.156 -0.149 1
1 449 . 20 1 1 A 48 48 TYR C C 48 178.310 177.519 0.791 1
1 450 . 20 1 1 A 48 48 TYR CA C 48 62.527 61.065 1.462 1
1 451 . 20 1 1 A 48 48 TYR CB C 48 38.254 38.899 -0.645 1
1 456 . 20 1 1 A 48 48 TYR N N 48 121.030 120.041 0.989 1
1 457 . 20 1 1 A 49 49 LEU H H 49 8.480 8.229 0.251 1
1 458 . 20 1 1 A 49 49 LEU HA H 49 3.624 3.854 -0.230 1
1 468 . 20 1 1 A 49 49 LEU C C 49 177.653 178.348 -0.695 1
1 469 . 20 1 1 A 49 49 LEU CA C 49 58.321 58.046 0.275 1
1 470 . 20 1 1 A 49 49 LEU CB C 49 41.046 41.174 -0.128 1
1 474 . 20 1 1 A 49 49 LEU N N 49 121.024 121.079 -0.055 1
1 475 . 20 1 1 A 50 50 ASN H H 50 7.564 8.070 -0.506 1
1 476 . 20 1 1 A 50 50 ASN HA H 50 4.493 4.503 -0.010 1
1 481 . 20 1 1 A 50 50 ASN C C 50 176.498 177.660 -1.162 1
1 482 . 20 1 1 A 50 50 ASN CA C 50 55.479 55.821 -0.342 1
1 483 . 20 1 1 A 50 50 ASN CB C 50 39.302 39.097 0.205 1
1 484 . 20 1 1 A 50 50 ASN N N 50 114.582 116.812 -2.230 1
1 486 . 20 1 1 A 51 51 LYS H H 51 7.370 7.373 -0.003 1
1 487 . 20 1 1 A 51 51 LYS HA H 51 3.990 3.941 0.049 1
1 496 . 20 1 1 A 51 51 LYS C C 51 178.403 179.134 -0.731 1
1 497 . 20 1 1 A 51 51 LYS CA C 51 58.512 59.591 -1.079 1
1 498 . 20 1 1 A 51 51 LYS CB C 51 32.245 32.175 0.070 1
1 502 . 20 1 1 A 51 51 LYS N N 51 118.289 118.819 -0.530 1
1 503 . 20 1 1 A 52 52 LEU H H 52 7.518 7.208 0.310 1
1 504 . 20 1 1 A 52 52 LEU HA H 52 4.085 4.148 -0.063 1
1 514 . 20 1 1 A 52 52 LEU C C 52 177.924 176.546 1.378 1
1 515 . 20 1 1 A 52 52 LEU CA C 52 56.424 56.525 -0.101 1
1 516 . 20 1 1 A 52 52 LEU CB C 52 42.952 43.376 -0.424 1
1 520 . 20 1 1 A 52 52 LEU N N 52 117.841 118.758 -0.917 1
1 521 . 20 1 1 A 53 53 GLN H H 53 8.438 7.897 0.541 1
1 522 . 20 1 1 A 53 53 GLN HA H 53 4.583 4.633 -0.050 1
1 529 . 20 1 1 A 53 53 GLN C C 53 172.039 174.055 -2.016 1
1 530 . 20 1 1 A 53 53 GLN CA C 53 52.780 53.552 -0.772 1
1 531 . 20 1 1 A 53 53 GLN CB C 53 29.902 29.080 0.822 1
1 533 . 20 1 1 A 53 53 GLN N N 53 118.578 118.129 0.449 1
1 535 . 20 1 1 A 54 54 PRO HA H 54 4.718 4.469 0.249 1
1 542 . 20 1 1 A 54 54 PRO C C 54 177.295 177.346 -0.051 1
1 543 . 20 1 1 A 54 54 PRO CA C 54 64.754 64.379 0.375 1
1 544 . 20 1 1 A 54 54 PRO CB C 54 31.924 31.904 0.020 1
1 547 . 20 1 1 A 55 55 ASP H H 55 8.349 8.387 -0.038 1
1 548 . 20 1 1 A 55 55 ASP HA H 55 4.596 4.713 -0.117 1
1 551 . 20 1 1 A 55 55 ASP C C 55 176.361 176.023 0.338 1
1 552 . 20 1 1 A 55 55 ASP CA C 55 53.467 54.778 -1.311 1
1 553 . 20 1 1 A 55 55 ASP CB C 55 40.050 40.720 -0.670 1
1 554 . 20 1 1 A 55 55 ASP N N 55 114.766 116.549 -1.783 1
1 555 . 20 1 1 A 56 56 PHE H H 56 8.187 7.637 0.550 1
1 556 . 20 1 1 A 56 56 PHE HA H 56 4.055 4.940 -0.885 1
1 564 . 20 1 1 A 56 56 PHE C C 56 175.257 173.687 1.570 1
1 565 . 20 1 1 A 56 56 PHE CA C 56 61.149 56.331 4.818 1
1 566 . 20 1 1 A 56 56 PHE CB C 56 38.680 39.430 -0.750 1
1 572 . 20 1 1 A 56 56 PHE N N 56 122.323 121.142 1.181 1
1 573 . 20 1 1 A 57 57 ASP H H 57 6.887 8.522 -1.635 1
1 574 . 20 1 1 A 57 57 ASP HA H 57 4.670 4.999 -0.329 1
1 577 . 20 1 1 A 57 57 ASP C C 57 176.308 176.473 -0.165 1
1 578 . 20 1 1 A 57 57 ASP CA C 57 52.895 52.541 0.354 1
1 579 . 20 1 1 A 57 57 ASP CB C 57 42.942 42.925 0.017 1
1 580 . 20 1 1 A 57 57 ASP N N 57 127.342 128.655 -1.313 1
1 581 . 20 1 1 A 58 58 SER H H 58 9.284 9.079 0.205 1
1 582 . 20 1 1 A 58 58 SER HA H 58 3.991 4.058 -0.067 1
1 585 . 20 1 1 A 58 58 SER C C 58 176.248 176.758 -0.510 1
1 586 . 20 1 1 A 58 58 SER CA C 58 63.050 61.320 1.730 1
1 587 . 20 1 1 A 58 58 SER CB C 58 63.339 62.787 0.552 1
1 588 . 20 1 1 A 58 58 SER N N 58 123.478 119.684 3.794 1
1 589 . 20 1 1 A 59 59 ARG H H 59 8.639 7.719 0.920 1
1 590 . 20 1 1 A 59 59 ARG HA H 59 4.073 4.120 -0.047 1
1 597 . 20 1 1 A 59 59 ARG C C 59 180.693 179.047 1.646 1
1 598 . 20 1 1 A 59 59 ARG CA C 59 58.787 58.633 0.154 1
1 599 . 20 1 1 A 59 59 ARG CB C 59 29.824 30.226 -0.402 1
1 602 . 20 1 1 A 59 59 ARG N N 59 123.207 121.137 2.070 1
1 603 . 20 1 1 A 60 60 LEU H H 60 7.460 7.418 0.042 1
1 604 . 20 1 1 A 60 60 LEU HA H 60 3.841 3.965 -0.124 1
1 614 . 20 1 1 A 60 60 LEU C C 60 177.018 177.168 -0.150 1
1 615 . 20 1 1 A 60 60 LEU CA C 60 56.556 56.955 -0.399 1
1 616 . 20 1 1 A 60 60 LEU CB C 60 41.013 41.303 -0.290 1
1 620 . 20 1 1 A 60 60 LEU N N 60 120.191 118.613 1.578 1
1 621 . 20 1 1 A 61 61 TYR H H 61 7.200 7.488 -0.288 1
1 622 . 20 1 1 A 61 61 TYR HA H 61 4.781 4.675 0.106 1
1 629 . 20 1 1 A 61 61 TYR C C 61 175.303 175.636 -0.333 1
1 630 . 20 1 1 A 61 61 TYR CA C 61 56.371 57.986 -1.615 1
1 631 . 20 1 1 A 61 61 TYR CB C 61 38.825 39.097 -0.272 1
1 636 . 20 1 1 A 61 61 TYR N N 61 114.720 116.424 -1.704 1
1 637 . 20 1 1 A 62 62 GLY H H 62 7.354 7.863 -0.509 1
1 638 . 20 1 1 A 62 62 GLY HA2 H 62 3.968 3.932 0.036 1
1 639 . 20 1 1 A 62 62 GLY HA3 H 62 3.552 3.970 -0.418 1
1 640 . 20 1 1 A 62 62 GLY C C 62 173.542 173.977 -0.435 1
1 641 . 20 1 1 A 62 62 GLY CA C 62 44.889 46.135 -1.246 1
1 642 . 20 1 1 A 62 62 GLY N N 62 104.100 109.546 -5.446 1
1 643 . 20 1 1 A 63 63 TYR H H 63 7.377 7.650 -0.273 1
1 644 . 20 1 1 A 63 63 TYR HA H 63 4.937 4.748 0.189 1
1 651 . 20 1 1 A 63 63 TYR C C 63 175.675 176.029 -0.354 1
1 652 . 20 1 1 A 63 63 TYR CA C 63 56.902 57.688 -0.786 1
1 653 . 20 1 1 A 63 63 TYR CB C 63 42.609 40.865 1.744 1
1 658 . 20 1 1 A 63 63 TYR N N 63 117.874 119.182 -1.308 1
1 659 . 20 1 1 A 64 64 LYS H H 64 9.403 8.892 0.511 1
1 660 . 20 1 1 A 64 64 LYS HA H 64 3.914 4.250 -0.336 1
1 669 . 20 1 1 A 64 64 LYS C C 64 176.334 176.706 -0.372 1
1 670 . 20 1 1 A 64 64 LYS CA C 64 59.534 58.474 1.060 1
1 671 . 20 1 1 A 64 64 LYS CB C 64 32.892 32.999 -0.107 1
1 675 . 20 1 1 A 64 64 LYS N N 64 123.946 123.135 0.811 1
1 676 . 20 1 1 A 65 65 LYS H H 65 7.635 7.607 0.028 1
1 677 . 20 1 1 A 65 65 LYS HA H 65 4.787 4.713 0.074 1
1 686 . 20 1 1 A 65 65 LYS C C 65 177.231 176.559 0.672 1
1 687 . 20 1 1 A 65 65 LYS CA C 65 54.089 55.199 -1.110 1
1 688 . 20 1 1 A 65 65 LYS CB C 65 35.722 34.838 0.884 1
1 692 . 20 1 1 A 65 65 LYS N N 65 112.461 114.969 -2.508 1
1 693 . 20 1 1 A 66 66 LEU H H 66 9.090 8.777 0.313 1
1 694 . 20 1 1 A 66 66 LEU HA H 66 4.240 4.047 0.193 1
1 704 . 20 1 1 A 66 66 LEU C C 66 178.820 178.692 0.128 1
1 705 . 20 1 1 A 66 66 LEU CA C 66 58.129 58.197 -0.068 1
1 706 . 20 1 1 A 66 66 LEU CB C 66 41.476 41.405 0.071 1
1 710 . 20 1 1 A 66 66 LEU N N 66 124.584 121.672 2.912 1
1 711 . 20 1 1 A 67 67 SER H H 67 8.867 7.985 0.882 1
1 712 . 20 1 1 A 67 67 SER HA H 67 3.697 4.061 -0.364 1
1 715 . 20 1 1 A 67 67 SER C C 67 175.588 175.956 -0.368 1
1 716 . 20 1 1 A 67 67 SER CA C 67 61.518 62.254 -0.736 1
1 717 . 20 1 1 A 67 67 SER CB C 67 61.537 62.945 -1.408 1
1 718 . 20 1 1 A 67 67 SER N N 67 112.095 115.935 -3.840 1
1 719 . 20 1 1 A 68 68 ASP H H 68 6.783 8.039 -1.256 1
1 720 . 20 1 1 A 68 68 ASP HA H 68 4.356 4.462 -0.106 1
1 723 . 20 1 1 A 68 68 ASP C C 68 177.827 178.393 -0.566 1
1 724 . 20 1 1 A 68 68 ASP CA C 68 57.170 56.996 0.174 1
1 725 . 20 1 1 A 68 68 ASP CB C 68 41.380 41.013 0.367 1
1 726 . 20 1 1 A 68 68 ASP N N 68 119.720 122.088 -2.368 1
1 727 . 20 1 1 A 69 69 LEU H H 69 7.153 7.510 -0.357 1
1 728 . 20 1 1 A 69 69 LEU HA H 69 2.561 3.121 -0.560 1
1 738 . 20 1 1 A 69 69 LEU C C 69 177.830 178.449 -0.619 1
1 739 . 20 1 1 A 69 69 LEU CA C 69 58.843 57.781 1.062 1
1 740 . 20 1 1 A 69 69 LEU CB C 69 42.203 41.577 0.626 1
1 744 . 20 1 1 A 69 69 LEU N N 69 122.181 120.435 1.746 1
1 745 . 20 1 1 A 70 70 VAL H H 70 8.167 8.099 0.068 1
1 746 . 20 1 1 A 70 70 VAL HA H 70 3.509 3.594 -0.085 1
1 754 . 20 1 1 A 70 70 VAL C C 70 177.695 178.219 -0.524 1
1 755 . 20 1 1 A 70 70 VAL CA C 70 65.582 67.201 -1.619 1
1 756 . 20 1 1 A 70 70 VAL CB C 70 31.409 31.553 -0.144 1
1 759 . 20 1 1 A 70 70 VAL N N 70 116.117 119.386 -3.269 1
1 760 . 20 1 1 A 71 71 LYS H H 71 7.665 7.846 -0.181 1
1 761 . 20 1 1 A 71 71 LYS HA H 71 3.854 4.103 -0.249 1
1 770 . 20 1 1 A 71 71 LYS C C 71 177.406 178.545 -1.139 1
1 771 . 20 1 1 A 71 71 LYS CA C 71 59.175 58.699 0.476 1
1 772 . 20 1 1 A 71 71 LYS CB C 71 32.804 31.869 0.935 1
1 776 . 20 1 1 A 71 71 LYS N N 71 116.326 119.842 -3.516 1
1 777 . 20 1 1 A 72 72 ALA H H 72 7.506 7.450 0.056 1
1 778 . 20 1 1 A 72 72 ALA HA H 72 4.391 4.257 0.134 1
1 782 . 20 1 1 A 72 72 ALA C C 72 180.756 178.748 2.008 1
1 783 . 20 1 1 A 72 72 ALA CA C 72 53.691 54.543 -0.852 1
1 784 . 20 1 1 A 72 72 ALA CB C 72 20.243 18.517 1.726 1
1 785 . 20 1 1 A 72 72 ALA N N 72 118.313 121.592 -3.279 1
1 786 . 20 1 1 A 73 73 ARG H H 73 7.603 7.342 0.261 1
1 787 . 20 1 1 A 73 73 ARG HA H 73 4.872 4.698 0.174 1
1 795 . 20 1 1 A 73 73 ARG C C 73 177.558 176.904 0.654 1
1 796 . 20 1 1 A 73 73 ARG CA C 73 51.230 54.908 -3.678 1
1 797 . 20 1 1 A 73 73 ARG CB C 73 25.568 29.532 -3.964 1
1 800 . 20 1 1 A 73 73 ARG N N 73 118.690 116.071 2.619 1
1 802 . 20 1 1 A 74 74 THR H H 74 8.261 7.727 0.534 1
1 803 . 20 1 1 A 74 74 THR HA H 74 4.552 4.484 0.068 1
1 808 . 20 1 1 A 74 74 THR C C 74 174.706 175.941 -1.235 1
1 809 . 20 1 1 A 74 74 THR CA C 74 62.876 65.209 -2.333 1
1 810 . 20 1 1 A 74 74 THR CB C 74 68.716 68.159 0.557 1
1 812 . 20 1 1 A 74 74 THR N N 74 115.950 112.776 3.174 1
1 813 . 20 1 1 A 75 75 ASP H H 75 9.542 8.220 1.322 1
1 814 . 20 1 1 A 75 75 ASP HA H 75 4.310 4.344 -0.034 1
1 817 . 20 1 1 A 75 75 ASP C C 75 175.958 177.372 -1.414 1
1 818 . 20 1 1 A 75 75 ASP CA C 75 54.476 57.206 -2.730 1
1 819 . 20 1 1 A 75 75 ASP CB C 75 38.969 42.021 -3.052 1
1 820 . 20 1 1 A 75 75 ASP N N 75 116.582 121.241 -4.659 1
1 821 . 20 1 1 A 76 76 LEU H H 76 7.078 7.440 -0.362 1
1 822 . 20 1 1 A 76 76 LEU HA H 76 4.225 4.020 0.205 1
1 832 . 20 1 1 A 76 76 LEU C C 76 177.244 175.972 1.272 1
1 833 . 20 1 1 A 76 76 LEU CA C 76 55.349 55.897 -0.548 1
1 834 . 20 1 1 A 76 76 LEU CB C 76 43.508 43.183 0.325 1
1 838 . 20 1 1 A 76 76 LEU N N 76 117.639 117.365 0.274 1
1 839 . 20 1 1 A 77 77 PHE H H 77 7.977 7.696 0.281 1
1 840 . 20 1 1 A 77 77 PHE HA H 77 5.648 5.036 0.612 1
1 848 . 20 1 1 A 77 77 PHE C C 77 175.868 174.814 1.054 1
1 849 . 20 1 1 A 77 77 PHE CA C 77 54.878 56.492 -1.614 1
1 850 . 20 1 1 A 77 77 PHE CB C 77 42.833 41.592 1.241 1
1 856 . 20 1 1 A 77 77 PHE N N 77 115.989 115.349 0.640 1
1 857 . 20 1 1 A 78 78 VAL H H 78 8.863 9.187 -0.324 1
1 858 . 20 1 1 A 78 78 VAL HA H 78 4.425 4.513 -0.088 1
1 866 . 20 1 1 A 78 78 VAL C C 78 175.288 175.815 -0.527 1
1 867 . 20 1 1 A 78 78 VAL CA C 78 61.575 62.623 -1.048 1
1 868 . 20 1 1 A 78 78 VAL CB C 78 33.988 31.699 2.289 1
1 871 . 20 1 1 A 78 78 VAL N N 78 123.339 123.852 -0.513 1
1 872 . 20 1 1 A 79 79 THR H H 79 8.305 9.030 -0.725 1
1 873 . 20 1 1 A 79 79 THR HA H 79 5.882 5.582 0.300 1
1 878 . 20 1 1 A 79 79 THR C C 79 174.566 173.861 0.705 1
1 879 . 20 1 1 A 79 79 THR CA C 79 59.476 60.480 -1.004 1
1 880 . 20 1 1 A 79 79 THR CB C 79 73.090 70.772 2.318 1
1 882 . 20 1 1 A 79 79 THR N N 79 113.057 119.464 -6.407 1
1 883 . 20 1 1 A 80 80 GLU H H 80 8.962 8.957 0.005 1
1 884 . 20 1 1 A 80 80 GLU HA H 80 4.589 4.953 -0.364 1
1 889 . 20 1 1 A 80 80 GLU C C 80 174.040 175.477 -1.437 1
1 890 . 20 1 1 A 80 80 GLU CA C 80 55.878 54.987 0.891 1
1 891 . 20 1 1 A 80 80 GLU CB C 80 33.399 33.108 0.291 1
1 893 . 20 1 1 A 80 80 GLU N N 80 117.934 122.592 -4.658 1
1 894 . 20 1 1 A 81 81 GLU H H 81 8.687 8.862 -0.175 1
1 895 . 20 1 1 A 81 81 GLU HA H 81 5.213 5.050 0.163 1
1 900 . 20 1 1 A 81 81 GLU C C 81 176.406 175.736 0.670 1
1 901 . 20 1 1 A 81 81 GLU CA C 81 55.186 56.158 -0.972 1
1 902 . 20 1 1 A 81 81 GLU CB C 81 31.544 30.564 0.980 1
1 904 . 20 1 1 A 81 81 GLU N N 81 122.400 124.608 -2.208 1
1 905 . 20 1 1 A 82 82 ARG H H 82 9.118 9.077 0.041 1
1 906 . 20 1 1 A 82 82 ARG HA H 82 4.635 4.869 -0.234 1
1 914 . 20 1 1 A 82 82 ARG C C 82 175.222 174.705 0.517 1
1 915 . 20 1 1 A 82 82 ARG CA C 82 54.746 54.310 0.436 1
1 916 . 20 1 1 A 82 82 ARG CB C 82 33.719 32.633 1.086 1
1 919 . 20 1 1 A 82 82 ARG N N 82 121.851 124.021 -2.170 1
1 921 . 20 1 1 A 83 83 GLN H H 83 8.642 8.516 0.126 1
1 922 . 20 1 1 A 83 83 GLN HA H 83 4.340 4.624 -0.284 1
1 927 . 20 1 1 A 83 83 GLN C C 83 175.705 175.506 0.199 1
1 928 . 20 1 1 A 83 83 GLN CA C 83 56.094 55.702 0.392 1
1 929 . 20 1 1 A 83 83 GLN CB C 83 29.424 29.471 -0.047 1
1 931 . 20 1 1 A 83 83 GLN N N 83 121.976 122.266 -0.290 1
1 932 . 20 1 1 A 84 84 VAL H H 84 8.818 8.288 0.530 1
1 933 . 20 1 1 A 84 84 VAL HA H 84 4.399 4.481 -0.082 1
1 941 . 20 1 1 A 84 84 VAL C C 84 174.439 174.781 -0.342 1
1 942 . 20 1 1 A 84 84 VAL CA C 84 59.977 59.507 0.470 1
1 943 . 20 1 1 A 84 84 VAL CB C 84 32.948 32.118 0.830 1
1 946 . 20 1 1 A 84 84 VAL N N 84 128.548 126.295 2.253 1
1 947 . 20 1 1 A 85 85 PRO HA H 85 4.313 4.266 0.047 1
1 954 . 20 1 1 A 85 85 PRO C C 85 178.026 177.384 0.642 1
1 955 . 20 1 1 A 85 85 PRO CA C 85 64.139 63.904 0.235 1
1 956 . 20 1 1 A 85 85 PRO CB C 85 31.744 31.374 0.370 1
1 959 . 20 1 1 A 86 86 GLY H H 86 8.815 8.765 0.050 1
1 960 . 20 1 1 A 86 86 GLY HA2 H 86 3.751 3.902 -0.151 1
1 961 . 20 1 1 A 86 86 GLY HA3 H 86 4.148 3.904 0.244 1
1 962 . 20 1 1 A 86 86 GLY C C 86 173.673 173.854 -0.181 1
1 963 . 20 1 1 A 86 86 GLY CA C 86 45.661 45.240 0.421 1
1 964 . 20 1 1 A 86 86 GLY N N 86 111.839 113.343 -1.504 1
1 965 . 20 1 1 A 87 87 SER H H 87 8.029 7.575 0.454 1
1 966 . 20 1 1 A 87 87 SER HA H 87 4.955 4.722 0.233 1
1 969 . 20 1 1 A 87 87 SER C C 87 174.293 174.106 0.187 1
1 970 . 20 1 1 A 87 87 SER CA C 87 56.119 57.856 -1.737 1
1 971 . 20 1 1 A 87 87 SER CB C 87 65.288 65.302 -0.014 1
1 972 . 20 1 1 A 87 87 SER N N 87 114.255 116.828 -2.573 1
1 973 . 20 1 1 A 88 88 THR H H 88 8.366 8.549 -0.183 1
1 974 . 20 1 1 A 88 88 THR HA H 88 4.438 4.407 0.031 1
1 979 . 20 1 1 A 88 88 THR C C 88 175.360 174.108 1.252 1
1 980 . 20 1 1 A 88 88 THR CA C 88 62.103 63.117 -1.014 1
1 981 . 20 1 1 A 88 88 THR CB C 88 69.017 69.634 -0.617 1
1 983 . 20 1 1 A 88 88 THR N N 88 112.921 118.544 -5.623 1
1 984 . 20 1 1 A 89 89 GLN H H 89 8.342 7.542 0.800 1
1 985 . 20 1 1 A 89 89 GLN HA H 89 4.382 4.847 -0.465 1
1 990 . 20 1 1 A 89 89 GLN C C 89 175.462 175.219 0.243 1
1 991 . 20 1 1 A 89 89 GLN CA C 89 55.599 54.714 0.885 1
1 992 . 20 1 1 A 89 89 GLN CB C 89 30.016 30.781 -0.765 1
1 994 . 20 1 1 A 89 89 GLN N N 89 122.086 118.320 3.766 1
1 995 . 20 1 1 A 90 90 LYS H H 90 8.584 8.944 -0.360 1
1 996 . 20 1 1 A 90 90 LYS HA H 90 4.779 5.109 -0.330 1
1 1005 . 20 1 1 A 90 90 LYS C C 90 175.897 175.152 0.745 1
1 1006 . 20 1 1 A 90 90 LYS CA C 90 55.590 55.042 0.548 1
1 1007 . 20 1 1 A 90 90 LYS CB C 90 34.742 35.365 -0.623 1
1 1011 . 20 1 1 A 90 90 LYS N N 90 121.945 119.070 2.875 1
1 1012 . 20 1 1 A 91 91 ALA H H 91 8.975 9.245 -0.270 1
1 1013 . 20 1 1 A 91 91 ALA HA H 91 4.738 5.184 -0.446 1
1 1017 . 20 1 1 A 91 91 ALA C C 91 175.585 175.839 -0.254 1
1 1018 . 20 1 1 A 91 91 ALA CA C 91 50.741 49.993 0.748 1
1 1019 . 20 1 1 A 91 91 ALA CB C 91 22.890 21.862 1.028 1
1 1020 . 20 1 1 A 91 91 ALA N N 91 124.604 125.233 -0.629 1
1 1021 . 20 1 1 A 92 92 LEU H H 92 8.523 8.469 0.054 1
1 1022 . 20 1 1 A 92 92 LEU HA H 92 4.707 4.699 0.008 1
1 1032 . 20 1 1 A 92 92 LEU C C 92 174.752 174.189 0.563 1
1 1033 . 20 1 1 A 92 92 LEU CA C 92 55.285 54.053 1.232 1
1 1034 . 20 1 1 A 92 92 LEU CB C 92 43.267 43.039 0.228 1
1 1038 . 20 1 1 A 92 92 LEU N N 92 123.888 124.620 -0.732 1
1 1039 . 20 1 1 A 93 93 TYR H H 93 9.289 9.225 0.064 1
1 1040 . 20 1 1 A 93 93 TYR HA H 93 5.269 5.219 0.050 1
1 1047 . 20 1 1 A 93 93 TYR C C 93 174.528 175.731 -1.203 1
1 1048 . 20 1 1 A 93 93 TYR CA C 93 56.505 57.205 -0.700 1
1 1049 . 20 1 1 A 93 93 TYR CB C 93 41.881 40.119 1.762 1
1 1054 . 20 1 1 A 93 93 TYR N N 93 126.872 127.710 -0.838 1
1 1055 . 20 1 1 A 94 94 LEU H H 94 9.551 9.282 0.269 1
1 1056 . 20 1 1 A 94 94 LEU HA H 94 5.869 5.494 0.375 1
1 1066 . 20 1 1 A 94 94 LEU C C 94 173.433 175.229 -1.796 1
1 1067 . 20 1 1 A 94 94 LEU CA C 94 54.131 53.398 0.733 1
1 1068 . 20 1 1 A 94 94 LEU CB C 94 46.320 45.455 0.865 1
1 1072 . 20 1 1 A 94 94 LEU N N 94 117.884 123.564 -5.680 1
1 1073 . 20 1 1 A 95 95 ARG H H 95 8.603 8.857 -0.254 1
1 1074 . 20 1 1 A 95 95 ARG HA H 95 4.707 4.854 -0.147 1
1 1082 . 20 1 1 A 95 95 ARG C C 95 174.605 174.595 0.010 1
1 1083 . 20 1 1 A 95 95 ARG CA C 95 53.795 53.818 -0.023 1
1 1084 . 20 1 1 A 95 95 ARG CB C 95 33.468 33.318 0.150 1
1 1087 . 20 1 1 A 95 95 ARG N N 95 116.939 121.060 -4.121 1
1 1089 . 20 1 1 A 96 96 ALA H H 96 9.072 8.579 0.493 1
1 1090 . 20 1 1 A 96 96 ALA HA H 96 4.404 4.442 -0.038 1
1 1094 . 20 1 1 A 96 96 ALA C C 96 177.811 176.904 0.907 1
1 1095 . 20 1 1 A 96 96 ALA CA C 96 52.324 52.271 0.053 1
1 1096 . 20 1 1 A 96 96 ALA CB C 96 18.248 19.204 -0.956 1
1 1097 . 20 1 1 A 96 96 ALA N N 96 124.914 124.418 0.496 1
1 1098 . 20 1 1 A 97 97 LYS H H 97 7.989 8.407 -0.418 1
1 1099 . 20 1 1 A 97 97 LYS HA H 97 3.922 4.400 -0.478 1
1 1108 . 20 1 1 A 97 97 LYS C C 97 175.978 174.812 1.166 1
1 1109 . 20 1 1 A 97 97 LYS CA C 97 56.915 56.138 0.777 1
1 1110 . 20 1 1 A 97 97 LYS CB C 97 32.864 32.639 0.225 1
1 1114 . 20 1 1 A 97 97 LYS N N 97 123.129 123.010 0.119 1
1 1115 . 20 1 1 A 98 98 LEU H H 98 8.118 8.844 -0.726 1
1 1116 . 20 1 1 A 98 98 LEU HA H 98 4.321 4.814 -0.493 1
1 1126 . 20 1 1 A 98 98 LEU C C 98 176.592 175.990 0.602 1
1 1127 . 20 1 1 A 98 98 LEU CA C 98 54.627 54.211 0.416 1
1 1128 . 20 1 1 A 98 98 LEU CB C 98 42.566 41.460 1.106 1
1 1132 . 20 1 1 A 98 98 LEU N N 98 123.816 128.830 -5.014 1
1 1133 . 20 1 1 A 99 99 GLU H H 99 8.376 8.805 -0.429 1
1 1134 . 20 1 1 A 99 99 GLU C C 99 175.790 178.176 -2.386 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 90 0.877 1
2 1 1 1 "RMS(OBS, PRED)" CA 89 1.155 1
3 1 1 1 "RMS(OBS, PRED)" CB 84 1.020 1
4 1 1 1 "RMS(OBS, PRED)" H 87 0.474 1
5 1 1 1 "RMS(OBS, PRED)" HA 94 0.280 1
6 1 1 1 "RMS(OBS, PRED)" N 86 2.779 1
7 1 2 1 "RMS(OBS, PRED)" C 90 0.938 1
8 1 2 1 "RMS(OBS, PRED)" CA 89 1.175 1
9 1 2 1 "RMS(OBS, PRED)" CB 84 0.957 1
10 1 2 1 "RMS(OBS, PRED)" H 87 0.478 1
11 1 2 1 "RMS(OBS, PRED)" HA 94 0.285 1
12 1 2 1 "RMS(OBS, PRED)" N 86 2.738 1
13 1 3 1 "RMS(OBS, PRED)" C 90 0.965 1
14 1 3 1 "RMS(OBS, PRED)" CA 89 1.172 1
15 1 3 1 "RMS(OBS, PRED)" CB 84 1.128 1
16 1 3 1 "RMS(OBS, PRED)" H 87 0.460 1
17 1 3 1 "RMS(OBS, PRED)" HA 94 0.271 1
18 1 3 1 "RMS(OBS, PRED)" N 86 2.563 1
19 1 4 1 "RMS(OBS, PRED)" C 90 0.958 1
20 1 4 1 "RMS(OBS, PRED)" CA 89 1.140 1
21 1 4 1 "RMS(OBS, PRED)" CB 84 1.078 1
22 1 4 1 "RMS(OBS, PRED)" H 87 0.475 1
23 1 4 1 "RMS(OBS, PRED)" HA 94 0.289 1
24 1 4 1 "RMS(OBS, PRED)" N 86 2.788 1
25 1 5 1 "RMS(OBS, PRED)" C 90 0.899 1
26 1 5 1 "RMS(OBS, PRED)" CA 89 1.141 1
27 1 5 1 "RMS(OBS, PRED)" CB 84 1.054 1
28 1 5 1 "RMS(OBS, PRED)" H 87 0.469 1
29 1 5 1 "RMS(OBS, PRED)" HA 94 0.278 1
30 1 5 1 "RMS(OBS, PRED)" N 86 2.646 1
31 1 6 1 "RMS(OBS, PRED)" C 90 0.934 1
32 1 6 1 "RMS(OBS, PRED)" CA 89 1.126 1
33 1 6 1 "RMS(OBS, PRED)" CB 84 1.050 1
34 1 6 1 "RMS(OBS, PRED)" H 87 0.482 1
35 1 6 1 "RMS(OBS, PRED)" HA 94 0.300 1
36 1 6 1 "RMS(OBS, PRED)" N 86 2.679 1
37 1 7 1 "RMS(OBS, PRED)" C 90 1.002 1
38 1 7 1 "RMS(OBS, PRED)" CA 89 1.154 1
39 1 7 1 "RMS(OBS, PRED)" CB 84 1.258 1
40 1 7 1 "RMS(OBS, PRED)" H 87 0.479 1
41 1 7 1 "RMS(OBS, PRED)" HA 94 0.321 1
42 1 7 1 "RMS(OBS, PRED)" N 86 2.829 1
43 1 8 1 "RMS(OBS, PRED)" C 90 0.909 1
44 1 8 1 "RMS(OBS, PRED)" CA 89 1.096 1
45 1 8 1 "RMS(OBS, PRED)" CB 84 1.143 1
46 1 8 1 "RMS(OBS, PRED)" H 87 0.481 1
47 1 8 1 "RMS(OBS, PRED)" HA 94 0.274 1
48 1 8 1 "RMS(OBS, PRED)" N 86 2.841 1
49 1 9 1 "RMS(OBS, PRED)" C 90 0.917 1
50 1 9 1 "RMS(OBS, PRED)" CA 89 1.113 1
51 1 9 1 "RMS(OBS, PRED)" CB 84 1.059 1
52 1 9 1 "RMS(OBS, PRED)" H 87 0.447 1
53 1 9 1 "RMS(OBS, PRED)" HA 94 0.297 1
54 1 9 1 "RMS(OBS, PRED)" N 86 2.708 1
55 1 10 1 "RMS(OBS, PRED)" C 90 0.895 1
56 1 10 1 "RMS(OBS, PRED)" CA 89 1.087 1
57 1 10 1 "RMS(OBS, PRED)" CB 84 1.099 1
58 1 10 1 "RMS(OBS, PRED)" H 87 0.499 1
59 1 10 1 "RMS(OBS, PRED)" HA 94 0.277 1
60 1 10 1 "RMS(OBS, PRED)" N 86 2.810 1
61 1 11 1 "RMS(OBS, PRED)" C 90 0.921 1
62 1 11 1 "RMS(OBS, PRED)" CA 89 1.142 1
63 1 11 1 "RMS(OBS, PRED)" CB 84 1.151 1
64 1 11 1 "RMS(OBS, PRED)" H 87 0.451 1
65 1 11 1 "RMS(OBS, PRED)" HA 94 0.283 1
66 1 11 1 "RMS(OBS, PRED)" N 86 2.834 1
67 1 12 1 "RMS(OBS, PRED)" C 90 0.908 1
68 1 12 1 "RMS(OBS, PRED)" CA 89 1.175 1
69 1 12 1 "RMS(OBS, PRED)" CB 84 1.151 1
70 1 12 1 "RMS(OBS, PRED)" H 87 0.463 1
71 1 12 1 "RMS(OBS, PRED)" HA 94 0.276 1
72 1 12 1 "RMS(OBS, PRED)" N 86 2.564 1
73 1 13 1 "RMS(OBS, PRED)" C 90 0.963 1
74 1 13 1 "RMS(OBS, PRED)" CA 89 1.169 1
75 1 13 1 "RMS(OBS, PRED)" CB 84 1.111 1
76 1 13 1 "RMS(OBS, PRED)" H 87 0.492 1
77 1 13 1 "RMS(OBS, PRED)" HA 94 0.306 1
78 1 13 1 "RMS(OBS, PRED)" N 86 2.760 1
79 1 14 1 "RMS(OBS, PRED)" C 90 0.891 1
80 1 14 1 "RMS(OBS, PRED)" CA 89 1.130 1
81 1 14 1 "RMS(OBS, PRED)" CB 84 1.021 1
82 1 14 1 "RMS(OBS, PRED)" H 87 0.504 1
83 1 14 1 "RMS(OBS, PRED)" HA 94 0.284 1
84 1 14 1 "RMS(OBS, PRED)" N 86 2.737 1
85 1 15 1 "RMS(OBS, PRED)" C 90 0.913 1
86 1 15 1 "RMS(OBS, PRED)" CA 89 1.174 1
87 1 15 1 "RMS(OBS, PRED)" CB 84 1.068 1
88 1 15 1 "RMS(OBS, PRED)" H 87 0.461 1
89 1 15 1 "RMS(OBS, PRED)" HA 94 0.287 1
90 1 15 1 "RMS(OBS, PRED)" N 86 2.814 1
91 1 16 1 "RMS(OBS, PRED)" C 90 0.998 1
92 1 16 1 "RMS(OBS, PRED)" CA 89 1.114 1
93 1 16 1 "RMS(OBS, PRED)" CB 84 1.130 1
94 1 16 1 "RMS(OBS, PRED)" H 87 0.473 1
95 1 16 1 "RMS(OBS, PRED)" HA 94 0.316 1
96 1 16 1 "RMS(OBS, PRED)" N 86 2.890 1
97 1 17 1 "RMS(OBS, PRED)" C 90 0.995 1
98 1 17 1 "RMS(OBS, PRED)" CA 89 1.173 1
99 1 17 1 "RMS(OBS, PRED)" CB 84 1.201 1
100 1 17 1 "RMS(OBS, PRED)" H 87 0.479 1
101 1 17 1 "RMS(OBS, PRED)" HA 94 0.314 1
102 1 17 1 "RMS(OBS, PRED)" N 86 2.734 1
103 1 18 1 "RMS(OBS, PRED)" C 90 0.973 1
104 1 18 1 "RMS(OBS, PRED)" CA 89 1.135 1
105 1 18 1 "RMS(OBS, PRED)" CB 84 1.121 1
106 1 18 1 "RMS(OBS, PRED)" H 87 0.498 1
107 1 18 1 "RMS(OBS, PRED)" HA 94 0.302 1
108 1 18 1 "RMS(OBS, PRED)" N 86 2.700 1
109 1 19 1 "RMS(OBS, PRED)" C 90 0.974 1
110 1 19 1 "RMS(OBS, PRED)" CA 89 1.115 1
111 1 19 1 "RMS(OBS, PRED)" CB 84 1.059 1
112 1 19 1 "RMS(OBS, PRED)" H 87 0.484 1
113 1 19 1 "RMS(OBS, PRED)" HA 94 0.304 1
114 1 19 1 "RMS(OBS, PRED)" N 86 2.703 1
115 1 20 1 "RMS(OBS, PRED)" C 90 0.965 1
116 1 20 1 "RMS(OBS, PRED)" CA 89 1.143 1
117 1 20 1 "RMS(OBS, PRED)" CB 84 1.113 1
118 1 20 1 "RMS(OBS, PRED)" H 87 0.476 1
119 1 20 1 "RMS(OBS, PRED)" HA 94 0.277 1
120 1 20 1 "RMS(OBS, PRED)" N 86 2.784 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 5 5 SER H H 5 8.350 8.455 -0.105 2
1 2 . 1 1 A 5 5 SER N N 5 116.816 119.403 -2.587 2
1 3 . 1 1 A 9 9 GLN H H 9 8.479 8.223 0.256 2
1 4 . 1 1 A 9 9 GLN N N 9 121.973 119.276 2.697 2
1 5 . 1 1 A 10 10 PRO HA H 10 4.392 4.606 -0.214 2
1 8 . 1 1 A 10 10 PRO C C 10 176.702 176.537 0.165 2
1 9 . 1 1 A 10 10 PRO CA C 10 63.029 62.674 0.355 2
1 10 . 1 1 A 10 10 PRO CB C 10 32.056 32.363 -0.307 2
1 11 . 1 1 A 11 11 ALA H H 11 8.421 8.421 0.000 2
1 12 . 1 1 A 11 11 ALA HA H 11 4.254 4.368 -0.114 2
1 16 . 1 1 A 11 11 ALA C C 11 177.592 177.298 0.294 2
1 17 . 1 1 A 11 11 ALA CA C 11 52.405 52.348 0.057 2
1 18 . 1 1 A 11 11 ALA CB C 11 19.242 19.397 -0.155 2
1 19 . 1 1 A 11 11 ALA N N 11 124.566 123.835 0.730 2
1 20 . 1 1 A 12 12 ALA H H 12 8.297 8.295 0.002 2
1 21 . 1 1 A 12 12 ALA HA H 12 4.278 4.565 -0.287 2
1 25 . 1 1 A 12 12 ALA C C 12 177.607 176.900 0.707 2
1 26 . 1 1 A 12 12 ALA CA C 12 52.402 51.649 0.753 2
1 27 . 1 1 A 12 12 ALA CB C 12 19.397 20.110 -0.713 2
1 28 . 1 1 A 12 12 ALA N N 12 123.470 122.937 0.533 2
1 29 . 1 1 A 13 13 GLN H H 13 8.302 8.187 0.115 2
1 30 . 1 1 A 13 13 GLN HA H 13 4.304 4.596 -0.292 2
1 33 . 1 1 A 13 13 GLN C C 13 175.344 175.249 0.095 2
1 34 . 1 1 A 13 13 GLN CA C 13 55.396 55.334 0.062 2
1 35 . 1 1 A 13 13 GLN CB C 13 29.738 29.981 -0.243 2
1 36 . 1 1 A 13 13 GLN N N 13 119.718 119.536 0.182 2
1 37 . 1 1 A 14 14 ALA H H 14 8.405 8.599 -0.194 2
1 38 . 1 1 A 14 14 ALA HA H 14 4.580 4.645 -0.065 2
1 42 . 1 1 A 14 14 ALA C C 14 175.619 175.954 -0.335 2
1 43 . 1 1 A 14 14 ALA CA C 14 50.607 50.028 0.579 2
1 44 . 1 1 A 14 14 ALA CB C 14 18.031 19.330 -1.299 2
1 45 . 1 1 A 14 14 ALA N N 14 127.291 125.745 1.546 2
1 46 . 1 1 A 15 15 PRO HA H 15 4.399 4.557 -0.158 2
1 49 . 1 1 A 15 15 PRO C C 15 177.086 176.544 0.542 2
1 50 . 1 1 A 15 15 PRO CA C 15 63.294 62.725 0.569 2
1 51 . 1 1 A 15 15 PRO CB C 15 31.988 32.296 -0.308 2
1 52 . 1 1 A 16 16 GLU H H 16 8.656 8.616 0.040 2
1 53 . 1 1 A 16 16 GLU HA H 16 4.306 4.438 -0.132 2
1 56 . 1 1 A 16 16 GLU C C 16 176.897 176.130 0.767 2
1 57 . 1 1 A 16 16 GLU CA C 16 56.771 56.401 0.370 2
1 58 . 1 1 A 16 16 GLU CB C 16 30.209 30.592 -0.383 2
1 59 . 1 1 A 16 16 GLU N N 16 120.957 120.661 0.296 2
1 60 . 1 1 A 17 17 THR H H 17 8.202 8.379 -0.176 2
1 61 . 1 1 A 17 17 THR HA H 17 4.336 4.470 -0.134 2
1 66 . 1 1 A 17 17 THR C C 17 174.612 173.158 1.454 2
1 67 . 1 1 A 17 17 THR CA C 17 61.981 62.608 -0.627 2
1 68 . 1 1 A 17 17 THR CB C 17 69.928 69.281 0.647 2
1 70 . 1 1 A 17 17 THR N N 17 115.763 117.145 -1.382 2
1 71 . 1 1 A 18 18 LYS H H 18 8.373 8.716 -0.343 2
1 72 . 1 1 A 18 18 LYS HA H 18 4.365 4.919 -0.554 2
1 81 . 1 1 A 18 18 LYS C C 18 176.509 175.206 1.303 2
1 82 . 1 1 A 18 18 LYS CA C 18 56.348 54.693 1.655 2
1 83 . 1 1 A 18 18 LYS CB C 18 33.051 35.070 -2.019 2
1 87 . 1 1 A 18 18 LYS N N 18 123.975 127.617 -3.642 2
1 88 . 1 1 A 19 19 GLN H H 19 8.387 8.604 -0.217 2
1 89 . 1 1 A 19 19 GLN HA H 19 4.378 4.687 -0.309 2
1 96 . 1 1 A 19 19 GLN C C 19 175.630 175.246 0.384 2
1 97 . 1 1 A 19 19 GLN CA C 19 55.614 54.604 1.010 2
1 98 . 1 1 A 19 19 GLN CB C 19 29.749 30.471 -0.722 2
1 100 . 1 1 A 19 19 GLN N N 19 121.480 125.435 -3.955 2
1 102 . 1 1 A 20 20 ALA H H 20 8.505 8.717 -0.212 2
1 103 . 1 1 A 20 20 ALA HA H 20 4.449 5.000 -0.551 2
1 107 . 1 1 A 20 20 ALA C C 20 177.361 176.809 0.552 2
1 108 . 1 1 A 20 20 ALA CA C 20 52.165 50.789 1.375 2
1 109 . 1 1 A 20 20 ALA CB C 20 19.253 20.735 -1.482 2
1 110 . 1 1 A 20 20 ALA N N 20 125.974 123.906 2.068 2
1 111 . 1 1 A 21 21 PHE H H 21 8.851 8.947 -0.096 2
1 112 . 1 1 A 21 21 PHE HA H 21 4.422 4.944 -0.522 2
1 120 . 1 1 A 21 21 PHE C C 21 176.063 174.612 1.451 2
1 121 . 1 1 A 21 21 PHE CA C 21 56.142 56.722 -0.580 2
1 122 . 1 1 A 21 21 PHE CB C 21 39.867 39.231 0.636 2
1 128 . 1 1 A 21 21 PHE N N 21 124.486 121.374 3.112 2
1 129 . 1 1 A 22 22 PRO HA H 22 4.856 4.929 -0.073 2
1 136 . 1 1 A 22 22 PRO C C 22 174.848 177.235 -2.387 2
1 137 . 1 1 A 22 22 PRO CA C 22 62.078 62.358 -0.281 2
1 138 . 1 1 A 22 22 PRO CB C 22 28.563 30.629 -2.066 2
1 141 . 1 1 A 23 23 ARG H H 23 8.356 8.638 -0.282 2
1 142 . 1 1 A 23 23 ARG HA H 23 3.650 4.085 -0.435 2
1 149 . 1 1 A 23 23 ARG C C 23 176.762 178.480 -1.718 2
1 150 . 1 1 A 23 23 ARG CA C 23 60.448 58.559 1.889 2
1 151 . 1 1 A 23 23 ARG CB C 23 31.422 29.716 1.706 2
1 154 . 1 1 A 23 23 ARG N N 23 126.815 122.540 4.275 2
1 155 . 1 1 A 24 24 LYS H H 24 8.555 8.030 0.525 2
1 156 . 1 1 A 24 24 LYS HA H 24 3.926 3.998 -0.072 2
1 165 . 1 1 A 24 24 LYS C C 24 179.506 178.928 0.578 2
1 166 . 1 1 A 24 24 LYS CA C 24 59.888 59.024 0.864 2
1 167 . 1 1 A 24 24 LYS CB C 24 31.782 32.085 -0.303 2
1 171 . 1 1 A 24 24 LYS N N 24 116.573 119.229 -2.656 2
1 172 . 1 1 A 25 25 PHE H H 25 7.575 7.913 -0.338 2
1 173 . 1 1 A 25 25 PHE HA H 25 4.487 4.383 0.104 2
1 181 . 1 1 A 25 25 PHE C C 25 177.447 178.131 -0.684 2
1 182 . 1 1 A 25 25 PHE CA C 25 59.779 60.529 -0.750 2
1 183 . 1 1 A 25 25 PHE CB C 25 38.791 39.038 -0.247 2
1 189 . 1 1 A 25 25 PHE N N 25 118.123 118.586 -0.463 2
1 190 . 1 1 A 26 26 VAL H H 26 8.024 8.294 -0.270 2
1 191 . 1 1 A 26 26 VAL HA H 26 3.608 3.665 -0.057 2
1 199 . 1 1 A 26 26 VAL C C 26 177.770 178.175 -0.405 2
1 200 . 1 1 A 26 26 VAL CA C 26 66.473 66.884 -0.411 2
1 201 . 1 1 A 26 26 VAL CB C 26 31.408 31.581 -0.173 2
1 204 . 1 1 A 26 26 VAL N N 26 117.081 119.482 -2.401 2
1 205 . 1 1 A 27 27 LEU H H 27 8.220 8.562 -0.342 2
1 206 . 1 1 A 27 27 LEU HA H 27 4.234 4.198 0.036 2
1 216 . 1 1 A 27 27 LEU C C 27 180.010 179.481 0.529 2
1 217 . 1 1 A 27 27 LEU CA C 27 57.864 57.638 0.226 2
1 218 . 1 1 A 27 27 LEU CB C 27 40.488 40.717 -0.229 2
1 222 . 1 1 A 27 27 LEU N N 27 118.748 117.896 0.852 2
1 223 . 1 1 A 28 28 ALA H H 28 8.014 8.267 -0.253 2
1 224 . 1 1 A 28 28 ALA HA H 28 4.289 4.118 0.171 2
1 228 . 1 1 A 28 28 ALA C C 28 179.951 179.694 0.257 2
1 229 . 1 1 A 28 28 ALA CA C 28 55.110 55.460 -0.350 2
1 230 . 1 1 A 28 28 ALA CB C 28 17.970 17.890 0.080 2
1 231 . 1 1 A 28 28 ALA N N 28 124.088 122.214 1.874 2
1 232 . 1 1 A 29 29 ALA H H 29 8.259 8.166 0.093 2
1 233 . 1 1 A 29 29 ALA HA H 29 3.942 4.519 -0.577 2
1 237 . 1 1 A 29 29 ALA C C 29 180.505 180.224 0.281 2
1 238 . 1 1 A 29 29 ALA CA C 29 54.976 55.280 -0.304 2
1 239 . 1 1 A 29 29 ALA CB C 29 17.923 18.261 -0.338 2
1 240 . 1 1 A 29 29 ALA N N 29 120.431 121.193 -0.762 2
1 241 . 1 1 A 30 30 LEU H H 30 8.098 8.363 -0.265 2
1 242 . 1 1 A 30 30 LEU HA H 30 4.007 4.306 -0.299 2
1 252 . 1 1 A 30 30 LEU C C 30 178.315 178.334 -0.019 2
1 253 . 1 1 A 30 30 LEU CA C 30 58.096 58.334 -0.238 2
1 254 . 1 1 A 30 30 LEU CB C 30 41.486 41.741 -0.255 2
1 258 . 1 1 A 30 30 LEU N N 30 120.849 120.641 0.208 2
1 259 . 1 1 A 31 31 GLU H H 31 8.115 8.703 -0.588 2
1 260 . 1 1 A 31 31 GLU HA H 31 3.967 4.062 -0.095 2
1 265 . 1 1 A 31 31 GLU C C 31 179.473 177.979 1.494 2
1 266 . 1 1 A 31 31 GLU CA C 31 59.683 59.086 0.597 2
1 267 . 1 1 A 31 31 GLU CB C 31 29.402 29.073 0.329 2
1 269 . 1 1 A 31 31 GLU N N 31 120.752 117.399 3.353 2
1 270 . 1 1 A 32 32 GLN H H 32 7.812 7.769 0.043 2
1 271 . 1 1 A 32 32 GLN HA H 32 4.001 4.084 -0.083 2
1 278 . 1 1 A 32 32 GLN C C 32 176.519 176.708 -0.189 2
1 279 . 1 1 A 32 32 GLN CA C 32 57.576 57.908 -0.332 2
1 280 . 1 1 A 32 32 GLN CB C 32 29.108 28.394 0.714 2
1 282 . 1 1 A 32 32 GLN N N 32 114.711 118.956 -4.245 2
1 284 . 1 1 A 33 33 SER H H 33 7.460 7.679 -0.219 2
1 285 . 1 1 A 33 33 SER HA H 33 4.257 4.483 -0.226 2
1 288 . 1 1 A 33 33 SER C C 33 174.508 174.224 0.284 2
1 289 . 1 1 A 33 33 SER CA C 33 58.504 58.208 0.296 2
1 290 . 1 1 A 33 33 SER CB C 33 65.131 63.952 1.179 2
1 291 . 1 1 A 33 33 SER N N 33 110.604 113.990 -3.386 2
1 292 . 1 1 A 34 34 SER H H 34 7.429 7.503 -0.074 2
1 293 . 1 1 A 34 34 SER HA H 34 4.468 4.643 -0.175 2
1 296 . 1 1 A 34 34 SER C C 34 174.588 174.238 0.350 2
1 297 . 1 1 A 34 34 SER CA C 34 58.556 58.843 -0.287 2
1 298 . 1 1 A 34 34 SER CB C 34 65.278 64.216 1.062 2
1 299 . 1 1 A 34 34 SER N N 34 117.544 117.814 -0.270 2
1 300 . 1 1 A 35 35 ASP H H 35 8.822 9.224 -0.402 2
1 301 . 1 1 A 35 35 ASP HA H 35 4.778 4.864 -0.086 2
1 304 . 1 1 A 35 35 ASP C C 35 178.268 177.552 0.716 2
1 305 . 1 1 A 35 35 ASP CA C 35 52.849 53.878 -1.029 2
1 306 . 1 1 A 35 35 ASP CB C 35 41.314 42.049 -0.735 2
1 307 . 1 1 A 35 35 ASP N N 35 121.575 123.633 -2.058 2
1 308 . 1 1 A 36 36 ASP H H 36 8.483 8.970 -0.487 2
1 309 . 1 1 A 36 36 ASP HA H 36 4.414 4.287 0.127 2
1 312 . 1 1 A 36 36 ASP C C 36 176.670 177.350 -0.679 2
1 313 . 1 1 A 36 36 ASP CA C 36 56.605 57.660 -1.055 2
1 314 . 1 1 A 36 36 ASP CB C 36 40.286 40.679 -0.393 2
1 315 . 1 1 A 36 36 ASP N N 36 117.398 122.669 -5.271 2
1 316 . 1 1 A 37 37 ALA H H 37 8.242 7.569 0.673 2
1 317 . 1 1 A 37 37 ALA HA H 37 4.532 4.396 0.136 2
1 321 . 1 1 A 37 37 ALA C C 37 177.407 177.813 -0.406 2
1 322 . 1 1 A 37 37 ALA CA C 37 51.677 52.006 -0.329 2
1 323 . 1 1 A 37 37 ALA CB C 37 19.774 19.432 0.342 2
1 324 . 1 1 A 37 37 ALA N N 37 122.052 118.376 3.676 2
1 325 . 1 1 A 38 38 GLY H H 38 8.155 8.409 -0.254 2
1 326 . 1 1 A 38 38 GLY HA2 H 38 3.624 3.771 -0.147 2
1 327 . 1 1 A 38 38 GLY HA3 H 38 4.080 3.854 0.226 2
1 328 . 1 1 A 38 38 GLY C C 38 173.417 173.920 -0.503 2
1 329 . 1 1 A 38 38 GLY CA C 38 45.093 45.702 -0.609 2
1 330 . 1 1 A 38 38 GLY N N 38 107.721 107.025 0.696 2
1 331 . 1 1 A 39 39 TRP H H 39 8.449 7.934 0.515 2
1 332 . 1 1 A 39 39 TRP HA H 39 5.054 4.908 0.146 2
1 341 . 1 1 A 39 39 TRP C C 39 176.577 175.724 0.853 2
1 342 . 1 1 A 39 39 TRP CA C 39 56.596 56.998 -0.402 2
1 343 . 1 1 A 39 39 TRP CB C 39 32.184 31.544 0.640 2
1 349 . 1 1 A 39 39 TRP N N 39 119.797 120.380 -0.583 2
1 351 . 1 1 A 40 40 ALA H H 40 9.855 9.241 0.614 2
1 352 . 1 1 A 40 40 ALA HA H 40 5.099 5.265 -0.166 2
1 356 . 1 1 A 40 40 ALA C C 40 176.165 176.461 -0.296 2
1 357 . 1 1 A 40 40 ALA CA C 40 50.202 50.371 -0.169 2
1 358 . 1 1 A 40 40 ALA CB C 40 23.153 21.288 1.865 2
1 359 . 1 1 A 40 40 ALA N N 40 124.618 126.280 -1.662 2
1 360 . 1 1 A 41 41 ASN H H 41 8.794 8.568 0.226 2
1 361 . 1 1 A 41 41 ASN HA H 41 3.771 4.150 -0.379 2
1 366 . 1 1 A 41 41 ASN C C 41 175.824 176.353 -0.529 2
1 367 . 1 1 A 41 41 ASN CA C 41 52.724 53.177 -0.453 2
1 368 . 1 1 A 41 41 ASN CB C 41 39.927 39.722 0.205 2
1 369 . 1 1 A 41 41 ASN N N 41 121.050 121.374 -0.324 2
1 371 . 1 1 A 42 42 LEU H H 42 8.493 8.649 -0.156 2
1 372 . 1 1 A 42 42 LEU HA H 42 3.834 4.063 -0.229 2
1 382 . 1 1 A 42 42 LEU C C 42 178.256 179.077 -0.821 2
1 383 . 1 1 A 42 42 LEU CA C 42 58.859 58.327 0.532 2
1 384 . 1 1 A 42 42 LEU CB C 42 42.233 41.872 0.361 2
1 388 . 1 1 A 42 42 LEU N N 42 126.418 129.216 -2.798 2
1 389 . 1 1 A 43 43 GLY H H 43 8.440 8.185 0.255 2
1 390 . 1 1 A 43 43 GLY HA2 H 43 3.912 3.756 0.156 2
1 391 . 1 1 A 43 43 GLY HA3 H 43 3.822 3.772 0.050 2
1 392 . 1 1 A 43 43 GLY C C 43 176.344 176.246 0.098 2
1 393 . 1 1 A 43 43 GLY CA C 43 47.070 47.350 -0.280 2
1 394 . 1 1 A 43 43 GLY N N 43 106.800 106.627 0.173 2
1 395 . 1 1 A 44 44 ASN H H 44 7.916 7.741 0.175 2
1 396 . 1 1 A 44 44 ASN HA H 44 4.472 4.501 -0.029 2
1 401 . 1 1 A 44 44 ASN C C 44 177.888 177.858 0.030 2
1 402 . 1 1 A 44 44 ASN CA C 44 56.004 55.889 0.115 2
1 403 . 1 1 A 44 44 ASN CB C 44 38.316 38.191 0.125 2
1 404 . 1 1 A 44 44 ASN N N 44 121.472 120.207 1.265 2
1 406 . 1 1 A 45 45 PHE H H 45 8.563 8.370 0.193 2
1 407 . 1 1 A 45 45 PHE HA H 45 4.498 4.286 0.212 2
1 415 . 1 1 A 45 45 PHE C C 45 176.732 177.994 -1.262 2
1 416 . 1 1 A 45 45 PHE CA C 45 60.350 60.503 -0.153 2
1 417 . 1 1 A 45 45 PHE CB C 45 38.824 39.138 -0.314 2
1 423 . 1 1 A 45 45 PHE N N 45 121.835 121.941 -0.106 2
1 424 . 1 1 A 46 46 GLY H H 46 8.933 8.813 0.120 2
1 425 . 1 1 A 46 46 GLY HA2 H 46 3.820 3.462 0.358 2
1 426 . 1 1 A 46 46 GLY HA3 H 46 3.186 3.670 -0.484 2
1 427 . 1 1 A 46 46 GLY C C 46 176.053 175.596 0.457 2
1 428 . 1 1 A 46 46 GLY CA C 46 47.171 46.921 0.250 2
1 429 . 1 1 A 46 46 GLY N N 46 106.269 106.493 -0.224 2
1 430 . 1 1 A 47 47 ASN H H 47 7.812 7.942 -0.130 2
1 431 . 1 1 A 47 47 ASN HA H 47 4.470 4.443 0.027 2
1 436 . 1 1 A 47 47 ASN C C 47 178.087 177.160 0.927 2
1 437 . 1 1 A 47 47 ASN CA C 47 55.974 56.011 -0.037 2
1 438 . 1 1 A 47 47 ASN CB C 47 38.149 38.977 -0.828 2
1 439 . 1 1 A 47 47 ASN N N 47 120.030 119.999 0.031 2
1 441 . 1 1 A 48 48 TYR H H 48 8.093 8.181 -0.088 2
1 442 . 1 1 A 48 48 TYR HA H 48 4.007 4.171 -0.164 2
1 449 . 1 1 A 48 48 TYR C C 48 178.310 177.512 0.798 2
1 450 . 1 1 A 48 48 TYR CA C 48 62.527 61.013 1.514 2
1 451 . 1 1 A 48 48 TYR CB C 48 38.254 38.816 -0.562 2
1 456 . 1 1 A 48 48 TYR N N 48 121.030 120.053 0.976 2
1 457 . 1 1 A 49 49 LEU H H 49 8.480 8.293 0.187 2
1 458 . 1 1 A 49 49 LEU HA H 49 3.624 3.879 -0.255 2
1 468 . 1 1 A 49 49 LEU C C 49 177.653 178.329 -0.676 2
1 469 . 1 1 A 49 49 LEU CA C 49 58.321 58.016 0.305 2
1 470 . 1 1 A 49 49 LEU CB C 49 41.046 41.072 -0.026 2
1 474 . 1 1 A 49 49 LEU N N 49 121.024 121.058 -0.034 2
1 475 . 1 1 A 50 50 ASN H H 50 7.564 7.869 -0.304 2
1 476 . 1 1 A 50 50 ASN HA H 50 4.493 4.541 -0.048 2
1 481 . 1 1 A 50 50 ASN C C 50 176.498 177.523 -1.025 2
1 482 . 1 1 A 50 50 ASN CA C 50 55.479 55.667 -0.188 2
1 483 . 1 1 A 50 50 ASN CB C 50 39.302 39.063 0.239 2
1 484 . 1 1 A 50 50 ASN N N 50 114.582 116.535 -1.953 2
1 486 . 1 1 A 51 51 LYS H H 51 7.370 7.582 -0.212 2
1 487 . 1 1 A 51 51 LYS HA H 51 3.990 3.958 0.032 2
1 496 . 1 1 A 51 51 LYS C C 51 178.403 178.901 -0.498 2
1 497 . 1 1 A 51 51 LYS CA C 51 58.512 59.254 -0.742 2
1 498 . 1 1 A 51 51 LYS CB C 51 32.245 32.171 0.074 2
1 502 . 1 1 A 51 51 LYS N N 51 118.289 118.724 -0.435 2
1 503 . 1 1 A 52 52 LEU H H 52 7.518 7.229 0.289 2
1 504 . 1 1 A 52 52 LEU HA H 52 4.085 4.142 -0.057 2
1 514 . 1 1 A 52 52 LEU C C 52 177.924 176.667 1.257 2
1 515 . 1 1 A 52 52 LEU CA C 52 56.424 56.441 -0.017 2
1 516 . 1 1 A 52 52 LEU CB C 52 42.952 43.414 -0.462 2
1 520 . 1 1 A 52 52 LEU N N 52 117.841 118.500 -0.659 2
1 521 . 1 1 A 53 53 GLN H H 53 8.438 7.957 0.481 2
1 522 . 1 1 A 53 53 GLN HA H 53 4.583 4.679 -0.096 2
1 529 . 1 1 A 53 53 GLN C C 53 172.039 174.110 -2.071 2
1 530 . 1 1 A 53 53 GLN CA C 53 52.780 53.581 -0.801 2
1 531 . 1 1 A 53 53 GLN CB C 53 29.902 29.090 0.812 2
1 533 . 1 1 A 53 53 GLN N N 53 118.578 118.074 0.504 2
1 535 . 1 1 A 54 54 PRO HA H 54 4.718 4.460 0.258 2
1 542 . 1 1 A 54 54 PRO C C 54 177.295 177.371 -0.076 2
1 543 . 1 1 A 54 54 PRO CA C 54 64.754 64.431 0.323 2
1 544 . 1 1 A 54 54 PRO CB C 54 31.924 31.885 0.039 2
1 547 . 1 1 A 55 55 ASP H H 55 8.349 8.380 -0.031 2
1 548 . 1 1 A 55 55 ASP HA H 55 4.596 4.647 -0.051 2
1 551 . 1 1 A 55 55 ASP C C 55 176.361 176.120 0.241 2
1 552 . 1 1 A 55 55 ASP CA C 55 53.467 55.063 -1.596 2
1 553 . 1 1 A 55 55 ASP CB C 55 40.050 40.698 -0.648 2
1 554 . 1 1 A 55 55 ASP N N 55 114.766 116.619 -1.853 2
1 555 . 1 1 A 56 56 PHE H H 56 8.187 7.689 0.498 2
1 556 . 1 1 A 56 56 PHE HA H 56 4.055 4.918 -0.863 2
1 564 . 1 1 A 56 56 PHE C C 56 175.257 173.926 1.331 2
1 565 . 1 1 A 56 56 PHE CA C 56 61.149 56.429 4.720 2
1 566 . 1 1 A 56 56 PHE CB C 56 38.680 39.383 -0.703 2
1 572 . 1 1 A 56 56 PHE N N 56 122.323 121.071 1.252 2
1 573 . 1 1 A 57 57 ASP H H 57 6.887 8.555 -1.667 2
1 574 . 1 1 A 57 57 ASP HA H 57 4.670 5.026 -0.356 2
1 577 . 1 1 A 57 57 ASP C C 57 176.308 176.540 -0.232 2
1 578 . 1 1 A 57 57 ASP CA C 57 52.895 52.718 0.177 2
1 579 . 1 1 A 57 57 ASP CB C 57 42.942 43.243 -0.301 2
1 580 . 1 1 A 57 57 ASP N N 57 127.342 128.427 -1.085 2
1 581 . 1 1 A 58 58 SER H H 58 9.284 9.030 0.254 2
1 582 . 1 1 A 58 58 SER HA H 58 3.991 4.167 -0.176 2
1 585 . 1 1 A 58 58 SER C C 58 176.248 176.682 -0.434 2
1 586 . 1 1 A 58 58 SER CA C 58 63.050 61.578 1.472 2
1 587 . 1 1 A 58 58 SER CB C 58 63.339 62.896 0.443 2
1 588 . 1 1 A 58 58 SER N N 58 123.478 121.293 2.185 2
1 589 . 1 1 A 59 59 ARG H H 59 8.639 7.736 0.903 2
1 590 . 1 1 A 59 59 ARG HA H 59 4.073 4.238 -0.165 2
1 597 . 1 1 A 59 59 ARG C C 59 180.693 178.913 1.780 2
1 598 . 1 1 A 59 59 ARG CA C 59 58.787 58.880 -0.093 2
1 599 . 1 1 A 59 59 ARG CB C 59 29.824 29.955 -0.131 2
1 602 . 1 1 A 59 59 ARG N N 59 123.207 122.292 0.915 2
1 603 . 1 1 A 60 60 LEU H H 60 7.460 7.806 -0.346 2
1 604 . 1 1 A 60 60 LEU HA H 60 3.841 3.953 -0.112 2
1 614 . 1 1 A 60 60 LEU C C 60 177.018 177.596 -0.578 2
1 615 . 1 1 A 60 60 LEU CA C 60 56.556 57.340 -0.784 2
1 616 . 1 1 A 60 60 LEU CB C 60 41.013 41.283 -0.270 2
1 620 . 1 1 A 60 60 LEU N N 60 120.191 118.989 1.202 2
1 621 . 1 1 A 61 61 TYR H H 61 7.200 7.721 -0.521 2
1 622 . 1 1 A 61 61 TYR HA H 61 4.781 4.659 0.122 2
1 629 . 1 1 A 61 61 TYR C C 61 175.303 175.836 -0.533 2
1 630 . 1 1 A 61 61 TYR CA C 61 56.371 57.846 -1.475 2
1 631 . 1 1 A 61 61 TYR CB C 61 38.825 38.873 -0.048 2
1 636 . 1 1 A 61 61 TYR N N 61 114.720 116.270 -1.550 2
1 637 . 1 1 A 62 62 GLY H H 62 7.354 7.977 -0.623 2
1 638 . 1 1 A 62 62 GLY HA2 H 62 3.968 3.887 0.081 2
1 639 . 1 1 A 62 62 GLY HA3 H 62 3.552 3.929 -0.377 2
1 640 . 1 1 A 62 62 GLY C C 62 173.542 174.069 -0.527 2
1 641 . 1 1 A 62 62 GLY CA C 62 44.889 45.781 -0.892 2
1 642 . 1 1 A 62 62 GLY N N 62 104.100 108.994 -4.894 2
1 643 . 1 1 A 63 63 TYR H H 63 7.377 7.737 -0.360 2
1 644 . 1 1 A 63 63 TYR HA H 63 4.937 4.661 0.276 2
1 651 . 1 1 A 63 63 TYR C C 63 175.675 176.169 -0.494 2
1 652 . 1 1 A 63 63 TYR CA C 63 56.902 58.109 -1.207 2
1 653 . 1 1 A 63 63 TYR CB C 63 42.609 40.168 2.441 2
1 658 . 1 1 A 63 63 TYR N N 63 117.874 119.432 -1.558 2
1 659 . 1 1 A 64 64 LYS H H 64 9.403 8.891 0.512 2
1 660 . 1 1 A 64 64 LYS HA H 64 3.914 4.261 -0.347 2
1 669 . 1 1 A 64 64 LYS C C 64 176.334 176.645 -0.311 2
1 670 . 1 1 A 64 64 LYS CA C 64 59.534 58.082 1.452 2
1 671 . 1 1 A 64 64 LYS CB C 64 32.892 33.089 -0.197 2
1 675 . 1 1 A 64 64 LYS N N 64 123.946 122.923 1.023 2
1 676 . 1 1 A 65 65 LYS H H 65 7.635 7.582 0.053 2
1 677 . 1 1 A 65 65 LYS HA H 65 4.787 4.696 0.091 2
1 686 . 1 1 A 65 65 LYS C C 65 177.231 176.555 0.676 2
1 687 . 1 1 A 65 65 LYS CA C 65 54.089 55.073 -0.984 2
1 688 . 1 1 A 65 65 LYS CB C 65 35.722 34.473 1.249 2
1 692 . 1 1 A 65 65 LYS N N 65 112.461 114.787 -2.326 2
1 693 . 1 1 A 66 66 LEU H H 66 9.090 8.742 0.348 2
1 694 . 1 1 A 66 66 LEU HA H 66 4.240 4.088 0.152 2
1 704 . 1 1 A 66 66 LEU C C 66 178.820 178.374 0.446 2
1 705 . 1 1 A 66 66 LEU CA C 66 58.129 58.296 -0.167 2
1 706 . 1 1 A 66 66 LEU CB C 66 41.476 41.394 0.082 2
1 710 . 1 1 A 66 66 LEU N N 66 124.584 121.683 2.901 2
1 711 . 1 1 A 67 67 SER H H 67 8.867 8.234 0.633 2
1 712 . 1 1 A 67 67 SER HA H 67 3.697 4.145 -0.448 2
1 715 . 1 1 A 67 67 SER C C 67 175.588 176.137 -0.549 2
1 716 . 1 1 A 67 67 SER CA C 67 61.518 61.648 -0.130 2
1 717 . 1 1 A 67 67 SER CB C 67 61.537 62.650 -1.113 2
1 718 . 1 1 A 67 67 SER N N 67 112.095 114.849 -2.754 2
1 719 . 1 1 A 68 68 ASP H H 68 6.783 8.109 -1.326 2
1 720 . 1 1 A 68 68 ASP HA H 68 4.356 4.452 -0.096 2
1 723 . 1 1 A 68 68 ASP C C 68 177.827 178.321 -0.494 2
1 724 . 1 1 A 68 68 ASP CA C 68 57.170 57.297 -0.127 2
1 725 . 1 1 A 68 68 ASP CB C 68 41.380 41.591 -0.211 2
1 726 . 1 1 A 68 68 ASP N N 68 119.720 121.582 -1.862 2
1 727 . 1 1 A 69 69 LEU H H 69 7.153 7.496 -0.343 2
1 728 . 1 1 A 69 69 LEU HA H 69 2.561 3.210 -0.649 2
1 738 . 1 1 A 69 69 LEU C C 69 177.830 178.474 -0.644 2
1 739 . 1 1 A 69 69 LEU CA C 69 58.843 57.861 0.982 2
1 740 . 1 1 A 69 69 LEU CB C 69 42.203 41.517 0.686 2
1 744 . 1 1 A 69 69 LEU N N 69 122.181 120.421 1.760 2
1 745 . 1 1 A 70 70 VAL H H 70 8.167 8.181 -0.014 2
1 746 . 1 1 A 70 70 VAL HA H 70 3.509 3.616 -0.107 2
1 754 . 1 1 A 70 70 VAL C C 70 177.695 178.137 -0.442 2
1 755 . 1 1 A 70 70 VAL CA C 70 65.582 67.139 -1.557 2
1 756 . 1 1 A 70 70 VAL CB C 70 31.409 31.438 -0.029 2
1 759 . 1 1 A 70 70 VAL N N 70 116.117 119.317 -3.200 2
1 760 . 1 1 A 71 71 LYS H H 71 7.665 8.124 -0.459 2
1 761 . 1 1 A 71 71 LYS HA H 71 3.854 4.128 -0.274 2
1 770 . 1 1 A 71 71 LYS C C 71 177.406 178.305 -0.899 2
1 771 . 1 1 A 71 71 LYS CA C 71 59.175 58.756 0.419 2
1 772 . 1 1 A 71 71 LYS CB C 71 32.804 31.601 1.203 2
1 776 . 1 1 A 71 71 LYS N N 71 116.326 119.850 -3.524 2
1 777 . 1 1 A 72 72 ALA H H 72 7.506 7.423 0.083 2
1 778 . 1 1 A 72 72 ALA HA H 72 4.391 4.266 0.125 2
1 782 . 1 1 A 72 72 ALA C C 72 180.756 178.188 2.568 2
1 783 . 1 1 A 72 72 ALA CA C 72 53.691 53.923 -0.232 2
1 784 . 1 1 A 72 72 ALA CB C 72 20.243 18.969 1.274 2
1 785 . 1 1 A 72 72 ALA N N 72 118.313 121.119 -2.806 2
1 786 . 1 1 A 73 73 ARG H H 73 7.603 7.628 -0.025 2
1 787 . 1 1 A 73 73 ARG HA H 73 4.872 4.603 0.269 2
1 795 . 1 1 A 73 73 ARG C C 73 177.558 176.544 1.014 2
1 796 . 1 1 A 73 73 ARG CA C 73 51.230 54.837 -3.607 2
1 797 . 1 1 A 73 73 ARG CB C 73 25.568 29.367 -3.799 2
1 800 . 1 1 A 73 73 ARG N N 73 118.690 116.885 1.805 2
1 802 . 1 1 A 74 74 THR H H 74 8.261 7.894 0.367 2
1 803 . 1 1 A 74 74 THR HA H 74 4.552 4.457 0.095 2
1 808 . 1 1 A 74 74 THR C C 74 174.706 176.012 -1.306 2
1 809 . 1 1 A 74 74 THR CA C 74 62.876 64.709 -1.833 2
1 810 . 1 1 A 74 74 THR CB C 74 68.716 68.452 0.264 2
1 812 . 1 1 A 74 74 THR N N 74 115.950 112.995 2.955 2
1 813 . 1 1 A 75 75 ASP H H 75 9.542 8.165 1.377 2
1 814 . 1 1 A 75 75 ASP HA H 75 4.310 4.310 -0.000 2
1 817 . 1 1 A 75 75 ASP C C 75 175.958 177.342 -1.384 2
1 818 . 1 1 A 75 75 ASP CA C 75 54.476 57.133 -2.657 2
1 819 . 1 1 A 75 75 ASP CB C 75 38.969 41.599 -2.630 2
1 820 . 1 1 A 75 75 ASP N N 75 116.582 121.904 -5.322 2
1 821 . 1 1 A 76 76 LEU H H 76 7.078 7.424 -0.346 2
1 822 . 1 1 A 76 76 LEU HA H 76 4.225 4.028 0.197 2
1 832 . 1 1 A 76 76 LEU C C 76 177.244 176.100 1.144 2
1 833 . 1 1 A 76 76 LEU CA C 76 55.349 55.802 -0.453 2
1 834 . 1 1 A 76 76 LEU CB C 76 43.508 43.192 0.316 2
1 838 . 1 1 A 76 76 LEU N N 76 117.639 117.327 0.312 2
1 839 . 1 1 A 77 77 PHE H H 77 7.977 7.612 0.365 2
1 840 . 1 1 A 77 77 PHE HA H 77 5.648 5.101 0.547 2
1 848 . 1 1 A 77 77 PHE C C 77 175.868 174.674 1.194 2
1 849 . 1 1 A 77 77 PHE CA C 77 54.878 56.379 -1.501 2
1 850 . 1 1 A 77 77 PHE CB C 77 42.833 42.057 0.776 2
1 856 . 1 1 A 77 77 PHE N N 77 115.989 115.329 0.660 2
1 857 . 1 1 A 78 78 VAL H H 78 8.863 9.096 -0.233 2
1 858 . 1 1 A 78 78 VAL HA H 78 4.425 4.533 -0.108 2
1 866 . 1 1 A 78 78 VAL C C 78 175.288 175.641 -0.353 2
1 867 . 1 1 A 78 78 VAL CA C 78 61.575 62.183 -0.608 2
1 868 . 1 1 A 78 78 VAL CB C 78 33.988 32.143 1.845 2
1 871 . 1 1 A 78 78 VAL N N 78 123.339 123.112 0.227 2
1 872 . 1 1 A 79 79 THR H H 79 8.305 9.034 -0.729 2
1 873 . 1 1 A 79 79 THR HA H 79 5.882 5.563 0.319 2
1 878 . 1 1 A 79 79 THR C C 79 174.566 173.871 0.695 2
1 879 . 1 1 A 79 79 THR CA C 79 59.476 60.527 -1.051 2
1 880 . 1 1 A 79 79 THR CB C 79 73.090 70.804 2.286 2
1 882 . 1 1 A 79 79 THR N N 79 113.057 119.618 -6.561 2
1 883 . 1 1 A 80 80 GLU H H 80 8.962 8.701 0.261 2
1 884 . 1 1 A 80 80 GLU HA H 80 4.589 4.921 -0.332 2
1 889 . 1 1 A 80 80 GLU C C 80 174.040 175.700 -1.660 2
1 890 . 1 1 A 80 80 GLU CA C 80 55.878 55.092 0.786 2
1 891 . 1 1 A 80 80 GLU CB C 80 33.399 33.589 -0.190 2
1 893 . 1 1 A 80 80 GLU N N 80 117.934 122.715 -4.781 2
1 894 . 1 1 A 81 81 GLU H H 81 8.687 8.801 -0.114 2
1 895 . 1 1 A 81 81 GLU HA H 81 5.213 4.831 0.382 2
1 900 . 1 1 A 81 81 GLU C C 81 176.406 175.689 0.717 2
1 901 . 1 1 A 81 81 GLU CA C 81 55.186 56.205 -1.019 2
1 902 . 1 1 A 81 81 GLU CB C 81 31.544 30.608 0.936 2
1 904 . 1 1 A 81 81 GLU N N 81 122.400 123.339 -0.939 2
1 905 . 1 1 A 82 82 ARG H H 82 9.118 9.188 -0.070 2
1 906 . 1 1 A 82 82 ARG HA H 82 4.635 4.725 -0.090 2
1 914 . 1 1 A 82 82 ARG C C 82 175.222 174.805 0.417 2
1 915 . 1 1 A 82 82 ARG CA C 82 54.746 54.346 0.400 2
1 916 . 1 1 A 82 82 ARG CB C 82 33.719 33.050 0.669 2
1 919 . 1 1 A 82 82 ARG N N 82 121.851 124.272 -2.421 2
1 921 . 1 1 A 83 83 GLN H H 83 8.642 8.572 0.070 2
1 922 . 1 1 A 83 83 GLN HA H 83 4.340 4.600 -0.260 2
1 927 . 1 1 A 83 83 GLN C C 83 175.705 175.527 0.178 2
1 928 . 1 1 A 83 83 GLN CA C 83 56.094 55.753 0.341 2
1 929 . 1 1 A 83 83 GLN CB C 83 29.424 29.662 -0.238 2
1 931 . 1 1 A 83 83 GLN N N 83 121.976 123.166 -1.190 2
1 932 . 1 1 A 84 84 VAL H H 84 8.818 8.268 0.550 2
1 933 . 1 1 A 84 84 VAL HA H 84 4.399 4.502 -0.103 2
1 941 . 1 1 A 84 84 VAL C C 84 174.439 174.712 -0.273 2
1 942 . 1 1 A 84 84 VAL CA C 84 59.977 59.417 0.560 2
1 943 . 1 1 A 84 84 VAL CB C 84 32.948 32.076 0.872 2
1 946 . 1 1 A 84 84 VAL N N 84 128.548 126.309 2.239 2
1 947 . 1 1 A 85 85 PRO HA H 85 4.313 4.263 0.050 2
1 954 . 1 1 A 85 85 PRO C C 85 178.026 177.411 0.615 2
1 955 . 1 1 A 85 85 PRO CA C 85 64.139 64.022 0.117 2
1 956 . 1 1 A 85 85 PRO CB C 85 31.744 31.453 0.291 2
1 959 . 1 1 A 86 86 GLY H H 86 8.815 8.794 0.021 2
1 960 . 1 1 A 86 86 GLY HA2 H 86 3.751 3.919 -0.168 2
1 961 . 1 1 A 86 86 GLY HA3 H 86 4.148 3.922 0.226 2
1 962 . 1 1 A 86 86 GLY C C 86 173.673 173.558 0.115 2
1 963 . 1 1 A 86 86 GLY CA C 86 45.661 45.316 0.345 2
1 964 . 1 1 A 86 86 GLY N N 86 111.839 113.241 -1.402 2
1 965 . 1 1 A 87 87 SER H H 87 8.029 7.711 0.318 2
1 966 . 1 1 A 87 87 SER HA H 87 4.955 4.809 0.146 2
1 969 . 1 1 A 87 87 SER C C 87 174.293 174.095 0.198 2
1 970 . 1 1 A 87 87 SER CA C 87 56.119 57.692 -1.573 2
1 971 . 1 1 A 87 87 SER CB C 87 65.288 65.639 -0.351 2
1 972 . 1 1 A 87 87 SER N N 87 114.255 115.832 -1.577 2
1 973 . 1 1 A 88 88 THR H H 88 8.366 8.440 -0.074 2
1 974 . 1 1 A 88 88 THR HA H 88 4.438 4.329 0.109 2
1 979 . 1 1 A 88 88 THR C C 88 175.360 174.317 1.043 2
1 980 . 1 1 A 88 88 THR CA C 88 62.103 63.613 -1.510 2
1 981 . 1 1 A 88 88 THR CB C 88 69.017 69.604 -0.587 2
1 983 . 1 1 A 88 88 THR N N 88 112.921 119.114 -6.193 2
1 984 . 1 1 A 89 89 GLN H H 89 8.342 7.553 0.789 2
1 985 . 1 1 A 89 89 GLN HA H 89 4.382 4.545 -0.163 2
1 990 . 1 1 A 89 89 GLN C C 89 175.462 175.537 -0.075 2
1 991 . 1 1 A 89 89 GLN CA C 89 55.599 55.218 0.381 2
1 992 . 1 1 A 89 89 GLN CB C 89 30.016 30.174 -0.158 2
1 994 . 1 1 A 89 89 GLN N N 89 122.086 117.602 4.484 2
1 995 . 1 1 A 90 90 LYS H H 90 8.584 8.771 -0.187 2
1 996 . 1 1 A 90 90 LYS HA H 90 4.779 4.986 -0.207 2
1 1005 . 1 1 A 90 90 LYS C C 90 175.897 175.249 0.648 2
1 1006 . 1 1 A 90 90 LYS CA C 90 55.590 55.121 0.469 2
1 1007 . 1 1 A 90 90 LYS CB C 90 34.742 34.843 -0.101 2
1 1011 . 1 1 A 90 90 LYS N N 90 121.945 119.377 2.568 2
1 1012 . 1 1 A 91 91 ALA H H 91 8.975 9.217 -0.242 2
1 1013 . 1 1 A 91 91 ALA HA H 91 4.738 5.237 -0.499 2
1 1017 . 1 1 A 91 91 ALA C C 91 175.585 175.501 0.084 2
1 1018 . 1 1 A 91 91 ALA CA C 91 50.741 50.109 0.632 2
1 1019 . 1 1 A 91 91 ALA CB C 91 22.890 22.217 0.673 2
1 1020 . 1 1 A 91 91 ALA N N 91 124.604 123.704 0.900 2
1 1021 . 1 1 A 92 92 LEU H H 92 8.523 8.513 0.010 2
1 1022 . 1 1 A 92 92 LEU HA H 92 4.707 4.758 -0.051 2
1 1032 . 1 1 A 92 92 LEU C C 92 174.752 174.181 0.571 2
1 1033 . 1 1 A 92 92 LEU CA C 92 55.285 54.126 1.159 2
1 1034 . 1 1 A 92 92 LEU CB C 92 43.267 43.106 0.161 2
1 1038 . 1 1 A 92 92 LEU N N 92 123.888 124.219 -0.331 2
1 1039 . 1 1 A 93 93 TYR H H 93 9.289 9.166 0.123 2
1 1040 . 1 1 A 93 93 TYR HA H 93 5.269 5.322 -0.053 2
1 1047 . 1 1 A 93 93 TYR C C 93 174.528 175.714 -1.186 2
1 1048 . 1 1 A 93 93 TYR CA C 93 56.505 56.885 -0.380 2
1 1049 . 1 1 A 93 93 TYR CB C 93 41.881 41.102 0.779 2
1 1054 . 1 1 A 93 93 TYR N N 93 126.872 127.538 -0.666 2
1 1055 . 1 1 A 94 94 LEU H H 94 9.551 9.225 0.326 2
1 1056 . 1 1 A 94 94 LEU HA H 94 5.869 5.481 0.388 2
1 1066 . 1 1 A 94 94 LEU C C 94 173.433 175.012 -1.579 2
1 1067 . 1 1 A 94 94 LEU CA C 94 54.131 53.489 0.642 2
1 1068 . 1 1 A 94 94 LEU CB C 94 46.320 45.685 0.635 2
1 1072 . 1 1 A 94 94 LEU N N 94 117.884 123.000 -5.116 2
1 1073 . 1 1 A 95 95 ARG H H 95 8.603 8.727 -0.124 2
1 1074 . 1 1 A 95 95 ARG HA H 95 4.707 4.830 -0.123 2
1 1082 . 1 1 A 95 95 ARG C C 95 174.605 174.571 0.035 2
1 1083 . 1 1 A 95 95 ARG CA C 95 53.795 53.844 -0.049 2
1 1084 . 1 1 A 95 95 ARG CB C 95 33.468 33.389 0.079 2
1 1087 . 1 1 A 95 95 ARG N N 95 116.939 120.480 -3.541 2
1 1089 . 1 1 A 96 96 ALA H H 96 9.072 8.511 0.561 2
1 1090 . 1 1 A 96 96 ALA HA H 96 4.404 4.399 0.005 2
1 1094 . 1 1 A 96 96 ALA C C 96 177.811 176.898 0.913 2
1 1095 . 1 1 A 96 96 ALA CA C 96 52.324 52.214 0.110 2
1 1096 . 1 1 A 96 96 ALA CB C 96 18.248 19.187 -0.939 2
1 1097 . 1 1 A 96 96 ALA N N 96 124.914 124.026 0.888 2
1 1098 . 1 1 A 97 97 LYS H H 97 7.989 8.221 -0.232 2
1 1099 . 1 1 A 97 97 LYS HA H 97 3.922 4.484 -0.562 2
1 1108 . 1 1 A 97 97 LYS C C 97 175.978 175.009 0.969 2
1 1109 . 1 1 A 97 97 LYS CA C 97 56.915 56.095 0.820 2
1 1110 . 1 1 A 97 97 LYS CB C 97 32.864 32.919 -0.055 2
1 1114 . 1 1 A 97 97 LYS N N 97 123.129 123.043 0.085 2
1 1115 . 1 1 A 98 98 LEU H H 98 8.118 8.926 -0.808 2
1 1116 . 1 1 A 98 98 LEU HA H 98 4.321 4.785 -0.464 2
1 1126 . 1 1 A 98 98 LEU C C 98 176.592 176.114 0.478 2
1 1127 . 1 1 A 98 98 LEU CA C 98 54.627 53.826 0.801 2
1 1128 . 1 1 A 98 98 LEU CB C 98 42.566 42.536 0.030 2
1 1132 . 1 1 A 98 98 LEU N N 98 123.816 128.978 -5.162 2
1 1133 . 1 1 A 99 99 GLU H H 99 8.376 8.698 -0.322 2
1 1134 . 1 1 A 99 99 GLU C C 99 175.790 176.150 -0.360 2
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