data_16065_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16065
_Entry.PDB_ID 2KC8
_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 15 . 1 1 1 A 5 5 ALA H H 2 8.098 8.476 -0.378 1
1 16 . 1 1 1 A 5 5 ALA HA H 2 4.389 4.197 0.192 1
1 20 . 1 1 1 A 5 5 ALA CA C 2 51.852 54.606 -2.754 1
1 21 . 1 1 1 A 5 5 ALA CB C 2 19.420 19.837 -0.417 1
1 22 . 1 1 1 A 5 5 ALA N N 2 125.572 124.426 1.146 1
1 23 . 1 1 1 A 6 6 TYR H H 3 8.402 8.312 0.090 1
1 24 . 1 1 1 A 6 6 TYR HA H 3 4.236 4.636 -0.400 1
1 31 . 1 1 1 A 6 6 TYR CA C 3 57.802 56.912 0.890 1
1 32 . 1 1 1 A 6 6 TYR CB C 3 39.608 40.016 -0.408 1
1 35 . 1 1 1 A 6 6 TYR N N 3 120.730 114.457 6.273 1
1 36 . 1 1 1 A 7 7 PHE H H 4 8.958 8.885 0.073 1
1 37 . 1 1 1 A 7 7 PHE HA H 4 4.509 4.789 -0.280 1
1 45 . 1 1 1 A 7 7 PHE CA C 4 57.936 57.877 0.059 1
1 46 . 1 1 1 A 7 7 PHE CB C 4 40.613 40.105 0.508 1
1 50 . 1 1 1 A 7 7 PHE N N 4 118.436 122.197 -3.761 1
1 51 . 1 1 1 A 8 8 LEU H H 5 8.711 8.681 0.030 1
1 52 . 1 1 1 A 8 8 LEU HA H 5 5.336 5.267 0.069 1
1 62 . 1 1 1 A 8 8 LEU CA C 5 53.391 53.691 -0.300 1
1 63 . 1 1 1 A 8 8 LEU CB C 5 44.716 45.580 -0.864 1
1 67 . 1 1 1 A 8 8 LEU N N 5 122.810 122.191 0.619 1
1 68 . 1 1 1 A 9 9 ASP H H 6 9.145 9.123 0.022 1
1 69 . 1 1 1 A 9 9 ASP HA H 6 5.999 5.505 0.494 1
1 72 . 1 1 1 A 9 9 ASP CA C 6 51.759 52.998 -1.239 1
1 73 . 1 1 1 A 9 9 ASP CB C 6 44.757 44.976 -0.219 1
1 74 . 1 1 1 A 9 9 ASP N N 6 124.570 125.700 -1.130 1
1 75 . 1 1 1 A 10 10 PHE H H 7 9.884 9.248 0.636 1
1 76 . 1 1 1 A 10 10 PHE HA H 7 5.231 5.207 0.024 1
1 83 . 1 1 1 A 10 10 PHE CA C 7 55.321 56.988 -1.667 1
1 84 . 1 1 1 A 10 10 PHE CB C 7 42.863 43.041 -0.178 1
1 88 . 1 1 1 A 10 10 PHE N N 7 123.156 119.026 4.130 1
1 89 . 1 1 1 A 11 11 ASP H H 8 8.986 8.728 0.258 1
1 90 . 1 1 1 A 11 11 ASP HA H 8 4.924 4.770 0.154 1
1 93 . 1 1 1 A 11 11 ASP CA C 8 55.122 54.953 0.169 1
1 94 . 1 1 1 A 11 11 ASP CB C 8 44.453 42.268 2.185 1
1 95 . 1 1 1 A 11 11 ASP N N 8 123.103 124.531 -1.428 1
1 96 . 1 1 1 A 12 12 GLU H H 9 9.685 8.978 0.707 1
1 97 . 1 1 1 A 12 12 GLU HA H 9 3.984 4.060 -0.076 1
1 102 . 1 1 1 A 12 12 GLU CA C 9 60.974 59.451 1.523 1
1 103 . 1 1 1 A 12 12 GLU CB C 9 31.222 29.398 1.824 1
1 105 . 1 1 1 A 12 12 GLU N N 9 128.730 125.503 3.227 1
1 106 . 1 1 1 A 13 13 ARG H H 10 9.626 7.892 1.734 1
1 107 . 1 1 1 A 13 13 ARG HA H 10 4.063 4.048 0.015 1
1 114 . 1 1 1 A 13 13 ARG CA C 10 59.013 59.215 -0.202 1
1 115 . 1 1 1 A 13 13 ARG CB C 10 30.124 30.187 -0.063 1
1 118 . 1 1 1 A 13 13 ARG N N 10 117.930 119.606 -1.676 1
1 119 . 1 1 1 A 14 14 ALA H H 11 7.268 8.377 -1.109 1
1 120 . 1 1 1 A 14 14 ALA HA H 11 5.323 4.191 1.132 1
1 124 . 1 1 1 A 14 14 ALA CA C 11 53.013 55.085 -2.072 1
1 125 . 1 1 1 A 14 14 ALA CB C 11 18.072 18.692 -0.620 1
1 126 . 1 1 1 A 14 14 ALA N N 11 122.063 121.985 0.078 1
1 127 . 1 1 1 A 15 15 LEU H H 12 8.773 7.893 0.880 1
1 128 . 1 1 1 A 15 15 LEU HA H 12 4.318 2.519 1.799 1
1 138 . 1 1 1 A 15 15 LEU CA C 12 57.404 57.342 0.062 1
1 139 . 1 1 1 A 15 15 LEU CB C 12 41.842 41.008 0.834 1
1 143 . 1 1 1 A 15 15 LEU N N 12 121.956 118.816 3.140 1
1 144 . 1 1 1 A 16 16 LYS H H 13 7.515 7.775 -0.260 1
1 145 . 1 1 1 A 16 16 LYS HA H 13 4.099 3.854 0.245 1
1 154 . 1 1 1 A 16 16 LYS CA C 13 59.837 59.460 0.377 1
1 155 . 1 1 1 A 16 16 LYS CB C 13 32.297 32.056 0.241 1
1 159 . 1 1 1 A 16 16 LYS N N 13 118.250 118.336 -0.086 1
1 160 . 1 1 1 A 17 17 GLU H H 14 7.416 8.060 -0.644 1
1 161 . 1 1 1 A 17 17 GLU HA H 14 3.959 4.044 -0.085 1
1 166 . 1 1 1 A 17 17 GLU CA C 14 59.458 59.267 0.191 1
1 167 . 1 1 1 A 17 17 GLU CB C 14 29.644 29.263 0.381 1
1 169 . 1 1 1 A 17 17 GLU N N 14 118.330 119.781 -1.451 1
1 170 . 1 1 1 A 18 18 TRP H H 15 9.095 8.082 1.013 1
1 171 . 1 1 1 A 18 18 TRP HA H 15 4.013 4.491 -0.478 1
1 178 . 1 1 1 A 18 18 TRP CA C 15 60.476 59.686 0.790 1
1 179 . 1 1 1 A 18 18 TRP CB C 15 29.644 27.850 1.794 1
1 182 . 1 1 1 A 18 18 TRP N N 15 121.770 118.477 3.293 1
1 183 . 1 1 1 A 19 19 ARG H H 16 8.060 7.351 0.709 1
1 184 . 1 1 1 A 19 19 ARG HA H 16 4.030 4.220 -0.190 1
1 191 . 1 1 1 A 19 19 ARG CA C 16 57.993 58.979 -0.986 1
1 192 . 1 1 1 A 19 19 ARG CB C 16 29.948 29.847 0.101 1
1 195 . 1 1 1 A 19 19 ARG N N 16 113.396 121.403 -8.007 1
1 196 . 1 1 1 A 20 20 LYS H H 17 7.274 7.703 -0.429 1
1 197 . 1 1 1 A 20 20 LYS HA H 17 4.311 4.384 -0.073 1
1 206 . 1 1 1 A 20 20 LYS CA C 17 57.183 57.725 -0.542 1
1 207 . 1 1 1 A 20 20 LYS CB C 17 32.106 32.537 -0.431 1
1 211 . 1 1 1 A 20 20 LYS N N 17 116.232 114.822 1.410 1
1 212 . 1 1 1 A 21 21 LEU H H 18 7.359 7.238 0.121 1
1 213 . 1 1 1 A 21 21 LEU HA H 18 4.074 4.814 -0.740 1
1 223 . 1 1 1 A 21 21 LEU CA C 18 54.367 53.024 1.343 1
1 224 . 1 1 1 A 21 21 LEU CB C 18 43.185 44.460 -1.275 1
1 228 . 1 1 1 A 21 21 LEU N N 18 119.903 116.410 3.493 1
1 229 . 1 1 1 A 22 22 GLY H H 19 8.455 8.222 0.233 1
1 230 . 1 1 1 A 22 22 GLY HA2 H 19 4.103 3.987 0.116 1
1 231 . 1 1 1 A 22 22 GLY HA3 H 19 3.888 4.039 -0.151 1
1 232 . 1 1 1 A 22 22 GLY CA C 19 44.739 45.664 -0.925 1
1 233 . 1 1 1 A 22 22 GLY N N 19 108.063 107.169 0.894 1
1 234 . 1 1 1 A 23 23 SER H H 20 8.711 8.720 -0.009 1
1 235 . 1 1 1 A 23 23 SER HA H 20 4.422 4.122 0.300 1
1 238 . 1 1 1 A 23 23 SER CA C 20 58.325 62.704 -4.379 1
1 239 . 1 1 1 A 23 23 SER CB C 20 63.754 62.859 0.895 1
1 240 . 1 1 1 A 23 23 SER N N 20 117.509 118.502 -0.993 1
1 241 . 1 1 1 A 24 24 THR H H 21 8.273 7.768 0.505 1
1 242 . 1 1 1 A 24 24 THR HA H 21 4.026 3.999 0.027 1
1 247 . 1 1 1 A 24 24 THR CA C 21 65.605 65.686 -0.081 1
1 248 . 1 1 1 A 24 24 THR CB C 21 68.013 68.466 -0.453 1
1 250 . 1 1 1 A 24 24 THR N N 21 116.047 118.054 -2.007 1
1 251 . 1 1 1 A 25 25 VAL H H 22 7.075 8.003 -0.928 1
1 252 . 1 1 1 A 25 25 VAL HA H 22 3.507 3.527 -0.020 1
1 260 . 1 1 1 A 25 25 VAL CA C 22 65.475 66.840 -1.365 1
1 261 . 1 1 1 A 25 25 VAL CB C 22 31.319 31.188 0.131 1
1 264 . 1 1 1 A 25 25 VAL N N 22 122.543 121.488 1.055 1
1 265 . 1 1 1 A 26 26 ARG H H 23 7.781 8.016 -0.235 1
1 266 . 1 1 1 A 26 26 ARG HA H 23 3.116 3.974 -0.858 1
1 273 . 1 1 1 A 26 26 ARG CA C 23 60.215 58.712 1.503 1
1 274 . 1 1 1 A 26 26 ARG CB C 23 30.555 29.842 0.713 1
1 277 . 1 1 1 A 26 26 ARG N N 23 118.490 119.897 -1.407 1
1 278 . 1 1 1 A 27 27 GLU H H 24 8.107 7.799 0.308 1
1 279 . 1 1 1 A 27 27 GLU HA H 24 4.031 4.074 -0.043 1
1 284 . 1 1 1 A 27 27 GLU CA C 24 59.421 59.041 0.380 1
1 285 . 1 1 1 A 27 27 GLU CB C 24 29.126 29.179 -0.053 1
1 287 . 1 1 1 A 27 27 GLU N N 24 116.756 118.892 -2.136 1
1 288 . 1 1 1 A 28 28 GLN H H 25 7.760 7.614 0.146 1
1 289 . 1 1 1 A 28 28 GLN HA H 25 4.097 3.999 0.098 1
1 296 . 1 1 1 A 28 28 GLN CA C 25 59.055 58.853 0.202 1
1 297 . 1 1 1 A 28 28 GLN CB C 25 29.925 28.145 1.780 1
1 299 . 1 1 1 A 28 28 GLN N N 25 118.410 119.616 -1.206 1
1 301 . 1 1 1 A 29 29 LEU H H 26 8.631 8.106 0.525 1
1 302 . 1 1 1 A 29 29 LEU HA H 26 4.145 3.964 0.181 1
1 312 . 1 1 1 A 29 29 LEU CA C 26 57.929 57.971 -0.042 1
1 313 . 1 1 1 A 29 29 LEU CB C 26 42.787 41.538 1.249 1
1 317 . 1 1 1 A 29 29 LEU N N 26 119.716 120.052 -0.336 1
1 318 . 1 1 1 A 30 30 LYS H H 27 9.183 7.992 1.191 1
1 319 . 1 1 1 A 30 30 LYS HA H 27 3.981 3.829 0.152 1
1 328 . 1 1 1 A 30 30 LYS CA C 27 61.364 60.199 1.165 1
1 329 . 1 1 1 A 30 30 LYS CB C 27 32.137 32.060 0.077 1
1 333 . 1 1 1 A 30 30 LYS N N 27 120.836 117.686 3.150 1
1 334 . 1 1 1 A 31 31 LYS H H 28 7.580 7.642 -0.062 1
1 335 . 1 1 1 A 31 31 LYS HA H 28 4.050 4.136 -0.086 1
1 344 . 1 1 1 A 31 31 LYS CA C 28 59.586 59.017 0.569 1
1 345 . 1 1 1 A 31 31 LYS CB C 28 32.373 32.328 0.045 1
1 349 . 1 1 1 A 31 31 LYS N N 28 116.783 119.002 -2.219 1
1 350 . 1 1 1 A 32 32 LYS H H 29 7.300 7.655 -0.355 1
1 351 . 1 1 1 A 32 32 LYS HA H 29 4.090 4.172 -0.082 1
1 360 . 1 1 1 A 32 32 LYS CA C 29 57.130 58.125 -0.995 1
1 361 . 1 1 1 A 32 32 LYS N N 29 116.383 118.713 -2.330 1
1 362 . 1 1 1 A 33 33 LEU H H 30 8.722 7.433 1.289 1
1 363 . 1 1 1 A 33 33 LEU HA H 30 3.881 4.026 -0.145 1
1 373 . 1 1 1 A 33 33 LEU CA C 30 57.634 56.987 0.647 1
1 374 . 1 1 1 A 33 33 LEU CB C 30 42.116 41.640 0.476 1
1 378 . 1 1 1 A 33 33 LEU N N 30 121.770 118.408 3.362 1
1 379 . 1 1 1 A 34 34 VAL H H 31 8.067 7.912 0.155 1
1 380 . 1 1 1 A 34 34 VAL HA H 31 3.479 3.730 -0.251 1
1 388 . 1 1 1 A 34 34 VAL CA C 31 66.847 65.051 1.796 1
1 389 . 1 1 1 A 34 34 VAL CB C 31 31.860 30.971 0.889 1
1 392 . 1 1 1 A 34 34 VAL N N 31 118.116 119.192 -1.076 1
1 393 . 1 1 1 A 35 35 GLU H H 32 6.825 8.014 -1.189 1
1 394 . 1 1 1 A 35 35 GLU HA H 32 4.090 4.005 0.085 1
1 399 . 1 1 1 A 35 35 GLU CA C 32 58.624 59.243 -0.619 1
1 400 . 1 1 1 A 35 35 GLU CB C 32 29.746 28.972 0.774 1
1 402 . 1 1 1 A 35 35 GLU N N 32 116.570 119.968 -3.398 1
1 403 . 1 1 1 A 36 36 VAL H H 33 7.785 7.143 0.642 1
1 404 . 1 1 1 A 36 36 VAL HA H 33 3.484 3.783 -0.299 1
1 412 . 1 1 1 A 36 36 VAL CA C 33 65.213 65.563 -0.350 1
1 413 . 1 1 1 A 36 36 VAL CB C 33 31.932 30.887 1.045 1
1 416 . 1 1 1 A 36 36 VAL N N 33 120.618 117.103 3.515 1
1 417 . 1 1 1 A 37 37 LEU H H 34 7.956 7.887 0.069 1
1 418 . 1 1 1 A 37 37 LEU HA H 34 3.747 4.003 -0.256 1
1 428 . 1 1 1 A 37 37 LEU CA C 34 57.069 56.474 0.595 1
1 429 . 1 1 1 A 37 37 LEU CB C 34 40.916 41.521 -0.605 1
1 433 . 1 1 1 A 37 37 LEU N N 34 115.476 122.086 -6.610 1
1 434 . 1 1 1 A 38 38 GLU H H 35 7.042 7.622 -0.580 1
1 435 . 1 1 1 A 38 38 GLU HA H 35 4.395 4.280 0.115 1
1 440 . 1 1 1 A 38 38 GLU CA C 35 57.553 58.065 -0.512 1
1 441 . 1 1 1 A 38 38 GLU CB C 35 30.234 30.920 -0.686 1
1 443 . 1 1 1 A 38 38 GLU N N 35 114.356 119.962 -5.606 1
1 444 . 1 1 1 A 39 39 SER H H 36 7.125 7.632 -0.507 1
1 445 . 1 1 1 A 39 39 SER HA H 36 4.593 4.836 -0.243 1
1 448 . 1 1 1 A 39 39 SER CA C 36 55.308 55.327 -0.019 1
1 449 . 1 1 1 A 39 39 SER CB C 36 62.305 63.501 -1.196 1
1 450 . 1 1 1 A 39 39 SER N N 36 109.796 112.218 -2.422 1
1 451 . 1 1 1 A 40 40 PRO HA H 37 4.360 4.328 0.032 1
1 458 . 1 1 1 A 40 40 PRO CA C 37 64.802 63.531 1.271 1
1 459 . 1 1 1 A 40 40 PRO CB C 37 32.562 32.226 0.336 1
1 462 . 1 1 1 A 41 41 ARG H H 38 8.356 8.206 0.150 1
1 463 . 1 1 1 A 41 41 ARG HA H 38 3.271 4.028 -0.757 1
1 470 . 1 1 1 A 41 41 ARG CA C 38 56.364 54.842 1.522 1
1 471 . 1 1 1 A 41 41 ARG CB C 38 29.580 28.890 0.690 1
1 474 . 1 1 1 A 41 41 ARG N N 38 120.882 119.034 1.848 1
1 475 . 1 1 1 A 42 42 ILE H H 39 5.973 7.393 -1.420 1
1 476 . 1 1 1 A 42 42 ILE HA H 39 4.216 4.319 -0.103 1
1 486 . 1 1 1 A 42 42 ILE CA C 39 60.301 60.554 -0.253 1
1 487 . 1 1 1 A 42 42 ILE CB C 39 38.705 36.831 1.874 1
1 491 . 1 1 1 A 42 42 ILE N N 39 127.866 125.847 2.019 1
1 492 . 1 1 1 A 43 43 GLU H H 40 8.860 8.769 0.091 1
1 493 . 1 1 1 A 43 43 GLU HA H 40 4.218 4.268 -0.050 1
1 498 . 1 1 1 A 43 43 GLU CA C 40 59.945 59.078 0.867 1
1 499 . 1 1 1 A 43 43 GLU CB C 40 29.040 29.040 0.000 1
1 501 . 1 1 1 A 43 43 GLU N N 40 129.498 125.647 3.851 1
1 502 . 1 1 1 A 44 44 ALA H H 41 8.827 8.004 0.823 1
1 503 . 1 1 1 A 44 44 ALA HA H 41 4.241 4.077 0.164 1
1 507 . 1 1 1 A 44 44 ALA CA C 41 54.035 54.755 -0.720 1
1 508 . 1 1 1 A 44 44 ALA CB C 41 18.466 18.296 0.170 1
1 509 . 1 1 1 A 44 44 ALA N N 41 119.919 122.902 -2.983 1
1 510 . 1 1 1 A 45 45 ASN H H 42 8.184 8.044 0.140 1
1 511 . 1 1 1 A 45 45 ASN HA H 42 5.082 4.918 0.164 1
1 516 . 1 1 1 A 45 45 ASN CA C 42 51.401 53.367 -1.966 1
1 517 . 1 1 1 A 45 45 ASN CB C 42 38.684 38.933 -0.249 1
1 518 . 1 1 1 A 45 45 ASN N N 42 114.675 113.627 1.048 1
1 520 . 1 1 1 A 46 46 LYS H H 43 7.515 7.247 0.268 1
1 521 . 1 1 1 A 46 46 LYS HA H 43 3.741 4.270 -0.529 1
1 530 . 1 1 1 A 46 46 LYS CA C 43 57.354 56.405 0.949 1
1 531 . 1 1 1 A 46 46 LYS CB C 43 32.905 32.590 0.315 1
1 535 . 1 1 1 A 46 46 LYS N N 43 122.167 119.456 2.711 1
1 536 . 1 1 1 A 47 47 LEU H H 44 8.184 7.932 0.252 1
1 537 . 1 1 1 A 47 47 LEU HA H 44 4.297 4.394 -0.097 1
1 547 . 1 1 1 A 47 47 LEU CA C 44 53.422 54.770 -1.348 1
1 548 . 1 1 1 A 47 47 LEU CB C 44 42.208 43.192 -0.984 1
1 552 . 1 1 1 A 47 47 LEU N N 44 127.544 124.139 3.405 1
1 553 . 1 1 1 A 48 48 ARG H H 45 8.706 8.582 0.124 1
1 554 . 1 1 1 A 48 48 ARG HA H 45 3.918 4.606 -0.688 1
1 561 . 1 1 1 A 48 48 ARG CA C 45 57.765 54.837 2.928 1
1 562 . 1 1 1 A 48 48 ARG CB C 45 29.686 30.705 -1.019 1
1 565 . 1 1 1 A 48 48 ARG N N 45 128.641 125.634 3.007 1
1 566 . 1 1 1 A 49 49 GLY H H 46 8.543 8.282 0.261 1
1 567 . 1 1 1 A 49 49 GLY HA2 H 46 4.129 3.986 0.143 1
1 568 . 1 1 1 A 49 49 GLY HA3 H 46 3.662 3.988 -0.326 1
1 569 . 1 1 1 A 49 49 GLY CA C 46 44.981 45.339 -0.358 1
1 570 . 1 1 1 A 49 49 GLY N N 46 110.474 112.192 -1.718 1
1 571 . 1 1 1 A 50 50 MET H H 47 7.404 7.816 -0.412 1
1 572 . 1 1 1 A 50 50 MET HA H 47 5.226 4.712 0.514 1
1 580 . 1 1 1 A 50 50 MET CA C 47 50.824 52.721 -1.897 1
1 581 . 1 1 1 A 50 50 MET CB C 47 33.186 33.273 -0.087 1
1 584 . 1 1 1 A 50 50 MET N N 47 118.742 120.093 -1.351 1
1 585 . 1 1 1 A 51 51 PRO HA H 48 4.344 4.303 0.041 1
1 592 . 1 1 1 A 51 51 PRO CA C 48 63.591 64.172 -0.581 1
1 593 . 1 1 1 A 51 51 PRO CB C 48 31.942 31.730 0.212 1
1 596 . 1 1 1 A 52 52 ASP H H 49 8.703 8.329 0.374 1
1 597 . 1 1 1 A 52 52 ASP HA H 49 4.392 4.654 -0.262 1
1 600 . 1 1 1 A 52 52 ASP CA C 49 56.244 54.291 1.953 1
1 601 . 1 1 1 A 52 52 ASP N N 49 116.361 117.001 -0.640 1
1 602 . 1 1 1 A 53 53 CYS H H 50 7.456 6.902 0.554 1
1 603 . 1 1 1 A 53 53 CYS HA H 50 5.799 5.219 0.580 1
1 606 . 1 1 1 A 53 53 CYS CA C 50 58.147 57.703 0.444 1
1 607 . 1 1 1 A 53 53 CYS CB C 50 30.953 30.654 0.299 1
1 608 . 1 1 1 A 53 53 CYS N N 50 114.086 117.571 -3.485 1
1 609 . 1 1 1 A 54 54 TYR H H 51 8.939 8.632 0.307 1
1 610 . 1 1 1 A 54 54 TYR HA H 51 4.662 5.066 -0.404 1
1 617 . 1 1 1 A 54 54 TYR CA C 51 56.444 56.089 0.355 1
1 618 . 1 1 1 A 54 54 TYR CB C 51 43.000 42.892 0.108 1
1 620 . 1 1 1 A 54 54 TYR N N 51 120.722 120.549 0.173 1
1 621 . 1 1 1 A 55 55 LYS H H 52 8.665 8.766 -0.101 1
1 622 . 1 1 1 A 55 55 LYS HA H 52 5.456 5.212 0.244 1
1 631 . 1 1 1 A 55 55 LYS CA C 52 53.968 55.067 -1.099 1
1 632 . 1 1 1 A 55 55 LYS CB C 52 36.126 35.378 0.748 1
1 636 . 1 1 1 A 55 55 LYS N N 52 117.297 119.563 -2.266 1
1 637 . 1 1 1 A 56 56 ILE H H 53 9.272 9.234 0.038 1
1 638 . 1 1 1 A 56 56 ILE HA H 53 4.428 5.033 -0.605 1
1 648 . 1 1 1 A 56 56 ILE CA C 53 60.803 59.620 1.183 1
1 649 . 1 1 1 A 56 56 ILE CB C 53 40.849 40.818 0.031 1
1 653 . 1 1 1 A 56 56 ILE N N 53 122.006 124.891 -2.885 1
1 654 . 1 1 1 A 57 57 LYS H H 54 8.745 8.992 -0.247 1
1 655 . 1 1 1 A 57 57 LYS HA H 54 5.093 5.062 0.031 1
1 664 . 1 1 1 A 57 57 LYS CA C 54 54.227 54.559 -0.332 1
1 665 . 1 1 1 A 57 57 LYS CB C 54 35.595 36.288 -0.693 1
1 669 . 1 1 1 A 57 57 LYS N N 54 125.752 123.310 2.442 1
1 670 . 1 1 1 A 58 58 LEU H H 55 8.543 8.968 -0.425 1
1 671 . 1 1 1 A 58 58 LEU HA H 55 4.788 4.651 0.137 1
1 681 . 1 1 1 A 58 58 LEU CA C 55 53.151 54.241 -1.090 1
1 682 . 1 1 1 A 58 58 LEU CB C 55 41.238 42.209 -0.971 1
1 686 . 1 1 1 A 58 58 LEU N N 55 124.173 124.191 -0.018 1
1 687 . 1 1 1 A 59 59 ARG HA H 56 4.039 3.970 0.069 1
1 694 . 1 1 1 A 59 59 ARG CA C 56 59.531 60.324 -0.793 1
1 695 . 1 1 1 A 59 59 ARG CB C 56 32.180 30.241 1.939 1
1 698 . 1 1 1 A 60 60 SER HA H 57 4.335 4.544 -0.209 1
1 701 . 1 1 1 A 60 60 SER CA C 57 60.035 60.570 -0.535 1
1 702 . 1 1 1 A 60 60 SER CB C 57 62.551 63.839 -1.288 1
1 703 . 1 1 1 A 61 61 SER H H 58 7.605 7.955 -0.350 1
1 704 . 1 1 1 A 61 61 SER HA H 58 4.604 4.492 0.112 1
1 707 . 1 1 1 A 61 61 SER CA C 58 58.122 59.410 -1.288 1
1 708 . 1 1 1 A 61 61 SER CB C 58 64.520 63.599 0.921 1
1 709 . 1 1 1 A 61 61 SER N N 58 112.447 115.982 -3.535 1
1 710 . 1 1 1 A 62 62 GLY H H 59 8.214 8.263 -0.049 1
1 711 . 1 1 1 A 62 62 GLY HA2 H 59 4.091 3.887 0.204 1
1 712 . 1 1 1 A 62 62 GLY HA3 H 59 3.824 3.919 -0.095 1
1 713 . 1 1 1 A 62 62 GLY CA C 59 45.562 45.697 -0.135 1
1 714 . 1 1 1 A 62 62 GLY N N 59 108.976 109.691 -0.715 1
1 715 . 1 1 1 A 63 63 TYR H H 60 7.283 8.149 -0.866 1
1 716 . 1 1 1 A 63 63 TYR HA H 60 4.619 4.625 -0.006 1
1 723 . 1 1 1 A 63 63 TYR CA C 60 60.412 58.089 2.323 1
1 724 . 1 1 1 A 63 63 TYR CB C 60 40.339 40.217 0.122 1
1 727 . 1 1 1 A 63 63 TYR N N 60 117.859 119.952 -2.093 1
1 728 . 1 1 1 A 64 64 ARG H H 61 9.296 9.235 0.061 1
1 729 . 1 1 1 A 64 64 ARG HA H 61 5.634 5.202 0.432 1
1 736 . 1 1 1 A 64 64 ARG CA C 61 54.114 54.073 0.041 1
1 737 . 1 1 1 A 64 64 ARG CB C 61 33.245 34.890 -1.645 1
1 740 . 1 1 1 A 64 64 ARG N N 61 117.912 119.476 -1.564 1
1 741 . 1 1 1 A 65 65 LEU H H 62 9.077 8.819 0.258 1
1 742 . 1 1 1 A 65 65 LEU HA H 62 5.459 5.138 0.321 1
1 752 . 1 1 1 A 65 65 LEU CA C 62 54.114 54.573 -0.459 1
1 753 . 1 1 1 A 65 65 LEU CB C 62 46.977 46.218 0.759 1
1 757 . 1 1 1 A 65 65 LEU N N 62 123.590 121.785 1.805 1
1 758 . 1 1 1 A 66 66 VAL H H 63 8.729 8.850 -0.121 1
1 759 . 1 1 1 A 66 66 VAL HA H 63 5.206 5.166 0.040 1
1 767 . 1 1 1 A 66 66 VAL CA C 63 60.112 60.759 -0.647 1
1 768 . 1 1 1 A 66 66 VAL CB C 63 34.296 33.985 0.311 1
1 771 . 1 1 1 A 66 66 VAL N N 63 123.237 125.661 -2.424 1
1 772 . 1 1 1 A 67 67 TYR H H 64 8.976 8.731 0.245 1
1 773 . 1 1 1 A 67 67 TYR HA H 64 5.745 5.524 0.221 1
1 780 . 1 1 1 A 67 67 TYR CA C 64 53.968 55.125 -1.157 1
1 781 . 1 1 1 A 67 67 TYR CB C 64 42.534 41.605 0.929 1
1 784 . 1 1 1 A 67 67 TYR N N 64 124.227 123.740 0.487 1
1 785 . 1 1 1 A 68 68 GLN H H 65 9.696 8.916 0.780 1
1 786 . 1 1 1 A 68 68 GLN HA H 65 5.640 5.467 0.173 1
1 793 . 1 1 1 A 68 68 GLN CA C 65 52.933 54.144 -1.211 1
1 794 . 1 1 1 A 68 68 GLN CB C 65 33.585 32.341 1.244 1
1 796 . 1 1 1 A 68 68 GLN N N 65 122.541 119.980 2.561 1
1 798 . 1 1 1 A 69 69 VAL H H 66 9.050 9.233 -0.183 1
1 799 . 1 1 1 A 69 69 VAL HA H 66 4.513 4.715 -0.202 1
1 807 . 1 1 1 A 69 69 VAL CA C 66 62.534 62.104 0.430 1
1 808 . 1 1 1 A 69 69 VAL CB C 66 33.052 32.460 0.592 1
1 811 . 1 1 1 A 69 69 VAL N N 66 127.437 126.713 0.724 1
1 812 . 1 1 1 A 70 70 ILE H H 67 9.385 9.162 0.223 1
1 813 . 1 1 1 A 70 70 ILE HA H 67 4.475 4.507 -0.032 1
1 823 . 1 1 1 A 70 70 ILE CA C 67 59.863 60.834 -0.971 1
1 824 . 1 1 1 A 70 70 ILE CB C 67 37.487 37.707 -0.220 1
1 828 . 1 1 1 A 70 70 ILE N N 67 129.296 127.820 1.476 1
1 829 . 1 1 1 A 71 71 ASP H H 68 9.343 8.994 0.349 1
1 830 . 1 1 1 A 71 71 ASP HA H 68 4.595 4.479 0.116 1
1 833 . 1 1 1 A 71 71 ASP CA C 68 58.841 57.050 1.791 1
1 834 . 1 1 1 A 71 71 ASP CB C 68 40.637 40.559 0.078 1
1 835 . 1 1 1 A 71 71 ASP N N 68 128.749 127.929 0.820 1
1 836 . 1 1 1 A 72 72 GLU H H 69 9.718 8.877 0.841 1
1 837 . 1 1 1 A 72 72 GLU HA H 69 4.124 4.067 0.057 1
1 842 . 1 1 1 A 72 72 GLU CA C 69 59.335 59.486 -0.151 1
1 843 . 1 1 1 A 72 72 GLU CB C 69 29.131 29.118 0.013 1
1 845 . 1 1 1 A 72 72 GLU N N 69 118.929 118.464 0.465 1
1 846 . 1 1 1 A 73 73 LYS H H 70 6.653 7.746 -1.093 1
1 847 . 1 1 1 A 73 73 LYS HA H 70 4.517 4.417 0.100 1
1 856 . 1 1 1 A 73 73 LYS CA C 70 54.587 56.024 -1.437 1
1 857 . 1 1 1 A 73 73 LYS CB C 70 33.843 32.584 1.259 1
1 861 . 1 1 1 A 73 73 LYS N N 70 114.113 117.155 -3.042 1
1 862 . 1 1 1 A 74 74 VAL H H 71 7.832 7.787 0.045 1
1 863 . 1 1 1 A 74 74 VAL HA H 71 3.012 3.434 -0.422 1
1 871 . 1 1 1 A 74 74 VAL CA C 71 63.090 62.747 0.343 1
1 872 . 1 1 1 A 74 74 VAL CB C 71 29.226 29.678 -0.452 1
1 875 . 1 1 1 A 74 74 VAL N N 71 119.223 116.709 2.514 1
1 876 . 1 1 1 A 75 75 VAL H H 72 7.732 7.944 -0.212 1
1 877 . 1 1 1 A 75 75 VAL HA H 72 4.950 4.893 0.057 1
1 885 . 1 1 1 A 75 75 VAL CA C 72 60.455 60.540 -0.085 1
1 886 . 1 1 1 A 75 75 VAL CB C 72 37.925 35.241 2.684 1
1 889 . 1 1 1 A 75 75 VAL N N 72 117.190 120.367 -3.177 1
1 890 . 1 1 1 A 76 76 VAL H H 73 9.026 8.786 0.240 1
1 891 . 1 1 1 A 76 76 VAL HA H 73 4.349 4.787 -0.438 1
1 899 . 1 1 1 A 76 76 VAL CA C 73 62.527 61.880 0.647 1
1 900 . 1 1 1 A 76 76 VAL CB C 73 32.882 31.826 1.056 1
1 903 . 1 1 1 A 76 76 VAL N N 73 128.347 127.485 0.862 1
1 904 . 1 1 1 A 77 77 PHE H H 74 9.629 9.211 0.418 1
1 905 . 1 1 1 A 77 77 PHE HA H 74 5.898 5.008 0.890 1
1 913 . 1 1 1 A 77 77 PHE CA C 74 51.863 56.140 -4.277 1
1 914 . 1 1 1 A 77 77 PHE CB C 74 40.214 40.467 -0.253 1
1 918 . 1 1 1 A 77 77 PHE N N 74 128.802 128.855 -0.053 1
1 919 . 1 1 1 A 78 78 VAL H H 75 9.535 8.752 0.783 1
1 920 . 1 1 1 A 78 78 VAL HA H 75 3.712 3.865 -0.153 1
1 928 . 1 1 1 A 78 78 VAL CA C 75 63.939 63.408 0.531 1
1 929 . 1 1 1 A 78 78 VAL CB C 75 31.079 31.081 -0.002 1
1 932 . 1 1 1 A 78 78 VAL N N 75 128.588 127.492 1.096 1
1 933 . 1 1 1 A 79 79 ILE H H 76 8.515 8.982 -0.467 1
1 934 . 1 1 1 A 79 79 ILE HA H 76 3.443 3.856 -0.413 1
1 944 . 1 1 1 A 79 79 ILE CA C 76 61.950 61.959 -0.009 1
1 945 . 1 1 1 A 79 79 ILE CB C 76 40.800 38.568 2.232 1
1 949 . 1 1 1 A 79 79 ILE N N 76 126.287 128.427 -2.140 1
1 950 . 1 1 1 A 80 80 SER H H 77 7.180 7.606 -0.426 1
1 951 . 1 1 1 A 80 80 SER HA H 77 4.506 5.197 -0.691 1
1 954 . 1 1 1 A 80 80 SER CA C 77 57.464 57.514 -0.050 1
1 955 . 1 1 1 A 80 80 SER CB C 77 64.912 66.577 -1.665 1
1 956 . 1 1 1 A 80 80 SER N N 77 111.625 116.231 -4.606 1
1 957 . 1 1 1 A 81 81 VAL H H 78 8.641 8.668 -0.027 1
1 958 . 1 1 1 A 81 81 VAL HA H 78 5.066 5.060 0.006 1
1 966 . 1 1 1 A 81 81 VAL CA C 78 60.913 60.895 0.018 1
1 967 . 1 1 1 A 81 81 VAL CB C 78 35.010 35.298 -0.288 1
1 970 . 1 1 1 A 81 81 VAL N N 78 126.742 123.820 2.922 1
1 971 . 1 1 1 A 82 82 GLY H H 79 8.658 8.410 0.248 1
1 972 . 1 1 1 A 82 82 GLY HA2 H 79 4.370 4.301 0.069 1
1 973 . 1 1 1 A 82 82 GLY HA3 H 79 4.160 4.468 -0.308 1
1 974 . 1 1 1 A 82 82 GLY CA C 79 46.036 44.684 1.352 1
1 975 . 1 1 1 A 82 82 GLY N N 79 111.223 112.022 -0.799 1
1 976 . 1 1 1 A 83 83 LYS H H 80 8.569 8.307 0.262 1
1 977 . 1 1 1 A 83 83 LYS HA H 80 4.369 4.758 -0.389 1
1 986 . 1 1 1 A 83 83 LYS CA C 80 54.855 55.337 -0.482 1
1 987 . 1 1 1 A 83 83 LYS CB C 80 34.866 33.812 1.054 1
1 991 . 1 1 1 A 83 83 LYS N N 80 121.257 121.466 -0.209 1
1 992 . 1 1 1 A 84 84 ALA H H 81 8.334 8.834 -0.500 1
1 993 . 1 1 1 A 84 84 ALA HA H 81 4.274 5.127 -0.853 1
1 997 . 1 1 1 A 84 84 ALA CA C 81 52.003 50.712 1.291 1
1 998 . 1 1 1 A 84 84 ALA CB C 81 19.185 24.044 -4.859 1
1 999 . 1 1 1 A 84 84 ALA N N 81 126.662 124.926 1.736 1
1 1000 . 1 1 1 A 85 85 GLU H H 82 8.638 8.675 -0.037 1
1 1001 . 1 1 1 A 85 85 GLU HA H 82 4.214 4.713 -0.499 1
1 1006 . 1 1 1 A 85 85 GLU CA C 82 56.366 55.702 0.664 1
1 1007 . 1 1 1 A 85 85 GLU CB C 82 30.238 30.514 -0.276 1
1 1009 . 1 1 1 A 85 85 GLU N N 82 121.819 116.905 4.914 1
1 1010 . 1 1 1 A 86 86 ALA H H 83 8.462 8.275 0.187 1
1 1011 . 1 1 1 A 86 86 ALA HA H 83 4.341 4.369 -0.028 1
1 1015 . 1 1 1 A 86 86 ALA CA C 83 52.156 53.104 -0.948 1
1 1016 . 1 1 1 A 86 86 ALA CB C 83 19.206 20.875 -1.669 1
1 1017 . 1 1 1 A 86 86 ALA N N 83 125.350 122.196 3.154 1
1 1018 . 1 1 1 A 87 87 SER H H 84 8.309 8.201 0.108 1
1 1019 . 1 1 1 A 87 87 SER HA H 84 4.400 4.132 0.268 1
1 1022 . 1 1 1 A 87 87 SER CA C 84 58.058 62.283 -4.225 1
1 1023 . 1 1 1 A 87 87 SER CB C 84 63.845 62.784 1.061 1
1 1024 . 1 1 1 A 87 87 SER N N 84 115.397 114.852 0.545 1
1 1025 . 1 1 1 A 88 88 GLU H H 85 8.443 8.495 -0.052 1
1 1026 . 1 1 1 A 88 88 GLU HA H 85 4.318 4.210 0.108 1
1 1031 . 1 1 1 A 88 88 GLU CA C 85 56.465 58.245 -1.780 1
1 1032 . 1 1 1 A 88 88 GLU CB C 85 30.464 28.948 1.516 1
1 1034 . 1 1 1 A 88 88 GLU N N 85 122.947 120.950 1.997 1
1 1035 . 1 1 1 A 89 89 VAL H H 86 8.098 7.875 0.223 1
1 1036 . 1 1 1 A 89 89 VAL HA H 86 4.044 3.756 0.288 1
1 1044 . 1 1 1 A 89 89 VAL CA C 86 62.293 65.982 -3.689 1
1 1045 . 1 1 1 A 89 89 VAL CB C 86 32.703 31.532 1.171 1
1 1048 . 1 1 1 A 89 89 VAL N N 86 120.884 120.327 0.557 1
1 1049 . 1 1 1 A 90 90 TYR H H 87 8.313 8.061 0.252 1
1 1050 . 1 1 1 A 90 90 TYR HA H 87 4.623 4.203 0.420 1
1 1057 . 1 1 1 A 90 90 TYR CA C 87 57.791 61.467 -3.676 1
1 1058 . 1 1 1 A 90 90 TYR CB C 87 38.795 38.539 0.256 1
1 1061 . 1 1 1 A 90 90 TYR N N 87 124.634 121.488 3.146 1
1 1062 . 1 1 1 A 91 91 SER H H 88 8.140 8.178 -0.038 1
1 1063 . 1 1 1 A 91 91 SER HA H 88 4.411 4.155 0.256 1
1 1066 . 1 1 1 A 91 91 SER CA C 88 58.396 61.937 -3.541 1
1 1067 . 1 1 1 A 91 91 SER CB C 88 63.703 62.809 0.894 1
1 1068 . 1 1 1 A 91 91 SER N N 88 118.447 116.722 1.725 1
1 1069 . 1 1 1 A 92 92 GLU H H 89 8.400 8.096 0.304 1
1 1070 . 1 1 1 A 92 92 GLU HA H 89 4.245 3.987 0.258 1
1 1075 . 1 1 1 A 92 92 GLU CA C 89 56.465 59.004 -2.539 1
1 1076 . 1 1 1 A 92 92 GLU CB C 89 29.471 29.975 -0.504 1
1 1078 . 1 1 1 A 92 92 GLU N N 89 122.947 121.270 1.677 1
1 1079 . 1 1 1 A 93 93 ALA H H 90 8.224 7.874 0.350 1
1 1080 . 1 1 1 A 93 93 ALA HA H 90 4.287 4.364 -0.077 1
1 1084 . 1 1 1 A 93 93 ALA CA C 90 52.598 54.754 -2.156 1
1 1085 . 1 1 1 A 93 93 ALA CB C 90 18.864 17.921 0.943 1
1 1086 . 1 1 1 A 93 93 ALA N N 90 124.404 120.994 3.410 1
1 1087 . 1 1 1 A 94 94 VAL H H 91 7.971 7.576 0.395 1
1 1088 . 1 1 1 A 94 94 VAL HA H 91 4.060 4.773 -0.713 1
1 1096 . 1 1 1 A 94 94 VAL CA C 91 62.072 58.814 3.258 1
1 1097 . 1 1 1 A 94 94 VAL CB C 91 32.601 35.419 -2.818 1
1 1100 . 1 1 1 A 94 94 VAL N N 91 119.330 111.702 7.628 1
1 1101 . 1 1 1 A 95 95 LYS H H 92 8.271 8.448 -0.177 1
1 1102 . 1 1 1 A 95 95 LYS HA H 92 4.313 4.726 -0.413 1
1 1111 . 1 1 1 A 95 95 LYS CA C 92 56.078 55.644 0.434 1
1 1112 . 1 1 1 A 95 95 LYS CB C 92 32.924 33.318 -0.394 1
1 1116 . 1 1 1 A 95 95 LYS N N 92 124.941 120.135 4.806 1
1 1117 . 1 1 1 A 96 96 ARG H H 93 8.317 8.247 0.070 1
1 1118 . 1 1 1 A 96 96 ARG HA H 93 4.360 4.467 -0.107 1
1 1125 . 1 1 1 A 96 96 ARG CA C 93 55.901 57.309 -1.408 1
1 1126 . 1 1 1 A 96 96 ARG CB C 93 30.906 32.308 -1.402 1
1 1129 . 1 1 1 A 96 96 ARG N N 93 122.918 119.266 3.652 1
1 1130 . 1 1 1 A 97 97 ILE H H 94 8.251 7.741 0.510 1
1 1131 . 1 1 1 A 97 97 ILE HA H 94 4.184 4.511 -0.327 1
1 1141 . 1 1 1 A 97 97 ILE CA C 94 60.946 59.847 1.099 1
1 1142 . 1 1 1 A 97 97 ILE CB C 94 38.298 40.094 -1.796 1
1 1146 . 1 1 1 A 97 97 ILE N N 94 123.301 115.605 7.696 1
1 1191 . 1 2 2 B 5 5 GLN H H 48 8.533 7.976 0.557 1
1 1192 . 1 2 2 B 5 5 GLN HA H 48 4.390 4.449 -0.059 1
1 1199 . 1 2 2 B 5 5 GLN C C 48 175.953 175.761 0.192 1
1 1200 . 1 2 2 B 5 5 GLN CA C 48 55.760 58.087 -2.327 1
1 1201 . 1 2 2 B 5 5 GLN CB C 48 29.225 27.823 1.402 1
1 1203 . 1 2 2 B 5 5 GLN N N 48 122.121 116.744 5.377 1
1 1205 . 1 2 2 B 6 6 THR H H 49 8.281 8.449 -0.168 1
1 1206 . 1 2 2 B 6 6 THR HA H 49 4.316 4.665 -0.349 1
1 1211 . 1 2 2 B 6 6 THR C C 49 174.156 175.941 -1.785 1
1 1212 . 1 2 2 B 6 6 THR CA C 49 61.724 61.037 0.687 1
1 1213 . 1 2 2 B 6 6 THR CB C 49 69.452 70.561 -1.109 1
1 1215 . 1 2 2 B 6 6 THR N N 49 116.639 114.782 1.857 1
1 1216 . 1 2 2 B 7 7 LEU H H 50 8.328 8.684 -0.356 1
1 1217 . 1 2 2 B 7 7 LEU HA H 50 4.381 4.198 0.183 1
1 1227 . 1 2 2 B 7 7 LEU C C 50 176.985 177.312 -0.327 1
1 1228 . 1 2 2 B 7 7 LEU CA C 50 55.093 57.291 -2.198 1
1 1229 . 1 2 2 B 7 7 LEU CB C 50 42.122 42.173 -0.051 1
1 1233 . 1 2 2 B 7 7 LEU N N 50 125.001 123.526 1.475 1
1 1234 . 1 2 2 B 8 8 LEU H H 51 8.264 7.584 0.680 1
1 1235 . 1 2 2 B 8 8 LEU HA H 51 4.410 4.515 -0.105 1
1 1245 . 1 2 2 B 8 8 LEU C C 51 177.235 176.109 1.126 1
1 1246 . 1 2 2 B 8 8 LEU CA C 51 54.936 53.791 1.145 1
1 1247 . 1 2 2 B 8 8 LEU CB C 51 42.292 43.496 -1.204 1
1 1251 . 1 2 2 B 8 8 LEU N N 51 123.073 117.677 5.396 1
1 1252 . 1 2 2 B 9 9 SER H H 52 8.499 9.243 -0.744 1
1 1253 . 1 2 2 B 9 9 SER HA H 52 4.410 4.729 -0.319 1
1 1256 . 1 2 2 B 9 9 SER C C 52 174.083 173.862 0.221 1
1 1257 . 1 2 2 B 9 9 SER CA C 52 57.757 56.066 1.691 1
1 1258 . 1 2 2 B 9 9 SER CB C 52 63.734 65.450 -1.716 1
1 1259 . 1 2 2 B 9 9 SER N N 52 117.150 115.958 1.192 1
1 1260 . 1 2 2 B 10 10 ASP H H 53 8.416 9.113 -0.697 1
1 1261 . 1 2 2 B 10 10 ASP HA H 53 4.575 4.534 0.041 1
1 1264 . 1 2 2 B 10 10 ASP C C 53 176.911 178.449 -1.538 1
1 1265 . 1 2 2 B 10 10 ASP CA C 53 54.678 55.705 -1.027 1
1 1266 . 1 2 2 B 10 10 ASP CB C 53 40.771 40.319 0.452 1
1 1267 . 1 2 2 B 10 10 ASP N N 53 122.632 122.742 -0.110 1
1 1268 . 1 2 2 B 11 11 GLU H H 54 8.486 8.654 -0.168 1
1 1269 . 1 2 2 B 11 11 GLU HA H 54 4.155 4.057 0.098 1
1 1274 . 1 2 2 B 11 11 GLU C C 54 177.220 178.703 -1.483 1
1 1275 . 1 2 2 B 11 11 GLU CA C 54 58.488 59.545 -1.057 1
1 1276 . 1 2 2 B 11 11 GLU CB C 54 29.615 29.201 0.414 1
1 1278 . 1 2 2 B 11 11 GLU N N 54 121.842 120.336 1.506 1
1 1279 . 1 2 2 B 12 12 ASP H H 55 8.301 8.307 -0.006 1
1 1280 . 1 2 2 B 12 12 ASP HA H 55 4.470 4.323 0.147 1
1 1283 . 1 2 2 B 12 12 ASP C C 55 177.161 178.700 -1.539 1
1 1284 . 1 2 2 B 12 12 ASP CA C 55 55.901 57.176 -1.275 1
1 1285 . 1 2 2 B 12 12 ASP CB C 55 40.503 40.195 0.308 1
1 1286 . 1 2 2 B 12 12 ASP N N 55 120.309 120.466 -0.157 1
1 1287 . 1 2 2 B 13 13 ALA H H 56 8.114 8.073 0.041 1
1 1288 . 1 2 2 B 13 13 ALA HA H 56 3.986 4.016 -0.030 1
1 1292 . 1 2 2 B 13 13 ALA C C 56 180.446 179.651 0.795 1
1 1293 . 1 2 2 B 13 13 ALA CA C 56 55.422 54.712 0.710 1
1 1294 . 1 2 2 B 13 13 ALA CB C 56 18.001 18.192 -0.191 1
1 1295 . 1 2 2 B 13 13 ALA N N 56 122.864 122.500 0.364 1
1 1296 . 1 2 2 B 14 14 GLU H H 57 8.105 7.874 0.231 1
1 1297 . 1 2 2 B 14 14 GLU HA H 57 4.010 4.150 -0.140 1
1 1302 . 1 2 2 B 14 14 GLU C C 57 178.914 179.013 -0.099 1
1 1303 . 1 2 2 B 14 14 GLU CA C 57 59.175 58.447 0.728 1
1 1304 . 1 2 2 B 14 14 GLU CB C 57 28.904 29.705 -0.801 1
1 1306 . 1 2 2 B 14 14 GLU N N 57 117.931 117.770 0.161 1
1 1307 . 1 2 2 B 15 15 LEU H H 58 7.813 7.707 0.106 1
1 1308 . 1 2 2 B 15 15 LEU HA H 58 4.062 4.065 -0.003 1
1 1318 . 1 2 2 B 15 15 LEU C C 58 178.634 179.395 -0.761 1
1 1319 . 1 2 2 B 15 15 LEU CA C 58 56.960 57.985 -1.025 1
1 1320 . 1 2 2 B 15 15 LEU CB C 58 41.973 41.112 0.861 1
1 1324 . 1 2 2 B 15 15 LEU N N 58 119.867 120.105 -0.238 1
1 1325 . 1 2 2 B 16 16 VAL H H 59 8.491 7.834 0.657 1
1 1326 . 1 2 2 B 16 16 VAL HA H 59 3.365 3.886 -0.521 1
1 1334 . 1 2 2 B 16 16 VAL C C 59 177.147 177.387 -0.240 1
1 1335 . 1 2 2 B 16 16 VAL CA C 59 67.142 65.471 1.671 1
1 1336 . 1 2 2 B 16 16 VAL CB C 59 31.176 31.425 -0.249 1
1 1339 . 1 2 2 B 16 16 VAL N N 59 118.357 115.642 2.715 1
1 1340 . 1 2 2 B 17 17 GLU H H 60 7.411 8.174 -0.763 1
1 1341 . 1 2 2 B 17 17 GLU HA H 60 4.015 4.109 -0.094 1
1 1346 . 1 2 2 B 17 17 GLU C C 60 179.636 178.407 1.229 1
1 1347 . 1 2 2 B 17 17 GLU CA C 60 59.203 58.783 0.420 1
1 1348 . 1 2 2 B 17 17 GLU CB C 60 28.970 29.128 -0.158 1
1 1350 . 1 2 2 B 17 17 GLU N N 60 117.103 120.491 -3.388 1
1 1351 . 1 2 2 B 18 18 ILE H H 61 7.574 7.714 -0.140 1
1 1352 . 1 2 2 B 18 18 ILE HA H 61 3.830 3.772 0.058 1
1 1362 . 1 2 2 B 18 18 ILE C C 61 178.001 178.133 -0.132 1
1 1363 . 1 2 2 B 18 18 ILE CA C 61 63.982 64.640 -0.658 1
1 1364 . 1 2 2 B 18 18 ILE CB C 61 38.483 37.988 0.495 1
1 1368 . 1 2 2 B 18 18 ILE N N 61 120.727 121.596 -0.869 1
1 1369 . 1 2 2 B 19 19 VAL H H 62 8.294 8.115 0.179 1
1 1370 . 1 2 2 B 19 19 VAL HA H 62 3.360 3.765 -0.405 1
1 1378 . 1 2 2 B 19 19 VAL C C 62 177.338 177.476 -0.138 1
1 1379 . 1 2 2 B 19 19 VAL CA C 62 66.364 65.472 0.892 1
1 1380 . 1 2 2 B 19 19 VAL CB C 62 31.203 31.383 -0.180 1
1 1383 . 1 2 2 B 19 19 VAL N N 62 119.635 120.788 -1.153 1
1 1384 . 1 2 2 B 20 20 LYS H H 63 8.780 7.964 0.816 1
1 1385 . 1 2 2 B 20 20 LYS HA H 63 3.784 4.033 -0.249 1
1 1394 . 1 2 2 B 20 20 LYS C C 63 179.209 178.785 0.424 1
1 1395 . 1 2 2 B 20 20 LYS CA C 63 60.096 58.773 1.323 1
1 1396 . 1 2 2 B 20 20 LYS CB C 63 32.673 31.742 0.931 1
1 1400 . 1 2 2 B 20 20 LYS N N 63 118.009 120.549 -2.540 1
1 1401 . 1 2 2 B 21 21 GLU H H 64 7.567 7.718 -0.151 1
1 1402 . 1 2 2 B 21 21 GLU HA H 64 4.084 4.066 0.018 1
1 1407 . 1 2 2 B 21 21 GLU C C 64 179.592 179.329 0.263 1
1 1408 . 1 2 2 B 21 21 GLU CA C 64 58.728 59.401 -0.673 1
1 1409 . 1 2 2 B 21 21 GLU CB C 64 28.974 29.197 -0.223 1
1 1411 . 1 2 2 B 21 21 GLU N N 64 117.452 119.774 -2.322 1
1 1412 . 1 2 2 B 22 22 ARG H H 65 8.156 7.789 0.367 1
1 1413 . 1 2 2 B 22 22 ARG HA H 65 4.053 4.131 -0.078 1
1 1420 . 1 2 2 B 22 22 ARG C C 65 177.986 179.060 -1.074 1
1 1421 . 1 2 2 B 22 22 ARG CA C 65 61.243 58.708 2.535 1
1 1422 . 1 2 2 B 22 22 ARG CB C 65 29.980 29.696 0.284 1
1 1425 . 1 2 2 B 22 22 ARG N N 65 119.635 119.301 0.334 1
1 1426 . 1 2 2 B 23 23 LEU H H 66 8.436 8.306 0.130 1
1 1427 . 1 2 2 B 23 23 LEU HA H 66 4.106 4.079 0.027 1
1 1437 . 1 2 2 B 23 23 LEU C C 66 178.620 178.669 -0.049 1
1 1438 . 1 2 2 B 23 23 LEU CA C 66 56.667 57.407 -0.740 1
1 1439 . 1 2 2 B 23 23 LEU CB C 66 41.465 41.874 -0.409 1
1 1443 . 1 2 2 B 23 23 LEU N N 66 115.686 121.537 -5.851 1
1 1444 . 1 2 2 B 24 24 ARG H H 67 7.404 8.673 -1.269 1
1 1445 . 1 2 2 B 24 24 ARG HA H 67 4.165 4.198 -0.034 1
1 1452 . 1 2 2 B 24 24 ARG C C 67 177.147 176.305 0.842 1
1 1453 . 1 2 2 B 24 24 ARG CA C 67 59.004 57.793 1.211 1
1 1454 . 1 2 2 B 24 24 ARG CB C 67 30.472 29.183 1.289 1
1 1457 . 1 2 2 B 24 24 ARG N N 67 118.427 117.025 1.402 1
1 1458 . 1 2 2 B 25 25 ASN H H 68 7.322 7.918 -0.596 1
1 1459 . 1 2 2 B 25 25 ASN HA H 68 5.064 5.028 0.036 1
1 1464 . 1 2 2 B 25 25 ASN CA C 68 51.014 51.411 -0.397 1
1 1465 . 1 2 2 B 25 25 ASN CB C 68 38.696 38.633 0.063 1
1 1466 . 1 2 2 B 25 25 ASN N N 68 114.083 117.671 -3.588 1
1 1468 . 1 2 2 B 26 26 PRO HA H 69 4.521 4.528 -0.007 1
1 1475 . 1 2 2 B 26 26 PRO C C 69 177.323 176.887 0.436 1
1 1476 . 1 2 2 B 26 26 PRO CA C 69 63.698 63.856 -0.158 1
1 1477 . 1 2 2 B 26 26 PRO CB C 69 33.286 32.092 1.194 1
1 1480 . 1 2 2 B 27 27 LYS H H 70 8.672 7.882 0.790 1
1 1481 . 1 2 2 B 27 27 LYS HA H 70 4.980 3.962 1.018 1
1 1490 . 1 2 2 B 27 27 LYS CA C 70 52.767 56.578 -3.811 1
1 1491 . 1 2 2 B 27 27 LYS CB C 70 33.540 30.986 2.554 1
1 1495 . 1 2 2 B 27 27 LYS N N 70 121.210 116.240 4.970 1
1 1496 . 1 2 2 B 28 28 PRO HA H 71 4.467 4.667 -0.200 1
1 1503 . 1 2 2 B 28 28 PRO C C 71 177.235 175.788 1.447 1
1 1504 . 1 2 2 B 28 28 PRO CA C 71 63.859 62.505 1.354 1
1 1505 . 1 2 2 B 28 28 PRO CB C 71 32.632 32.257 0.375 1
1 1508 . 1 2 2 B 29 29 VAL H H 72 9.036 8.562 0.474 1
1 1509 . 1 2 2 B 29 29 VAL HA H 72 4.155 4.499 -0.344 1
1 1517 . 1 2 2 B 29 29 VAL C C 72 174.554 174.939 -0.385 1
1 1518 . 1 2 2 B 29 29 VAL CA C 72 61.506 60.827 0.679 1
1 1519 . 1 2 2 B 29 29 VAL CB C 72 34.764 33.971 0.793 1
1 1522 . 1 2 2 B 29 29 VAL N N 72 124.322 123.303 1.019 1
1 1523 . 1 2 2 B 30 30 ARG H H 73 8.437 8.671 -0.234 1
1 1524 . 1 2 2 B 30 30 ARG HA H 73 5.195 4.619 0.576 1
1 1531 . 1 2 2 B 30 30 ARG C C 73 176.248 176.058 0.190 1
1 1532 . 1 2 2 B 30 30 ARG CA C 73 55.189 56.222 -1.033 1
1 1533 . 1 2 2 B 30 30 ARG CB C 73 27.764 30.520 -2.756 1
1 1536 . 1 2 2 B 30 30 ARG N N 73 129.461 128.504 0.957 1
1 1537 . 1 2 2 B 31 31 VAL H H 74 8.822 8.827 -0.005 1
1 1538 . 1 2 2 B 31 31 VAL HA H 74 4.889 5.092 -0.203 1
1 1546 . 1 2 2 B 31 31 VAL C C 74 173.965 173.772 0.193 1
1 1547 . 1 2 2 B 31 31 VAL CA C 74 59.055 59.161 -0.106 1
1 1548 . 1 2 2 B 31 31 VAL CB C 74 35.653 36.605 -0.952 1
1 1551 . 1 2 2 B 31 31 VAL N N 74 123.375 119.626 3.749 1
1 1552 . 1 2 2 B 32 32 THR H H 75 7.855 8.314 -0.459 1
1 1553 . 1 2 2 B 32 32 THR HA H 75 4.730 4.980 -0.250 1
1 1558 . 1 2 2 B 32 32 THR C C 75 175.865 174.776 1.089 1
1 1559 . 1 2 2 B 32 32 THR CA C 75 59.052 59.225 -0.173 1
1 1560 . 1 2 2 B 32 32 THR CB C 75 71.228 72.032 -0.804 1
1 1562 . 1 2 2 B 32 32 THR N N 75 109.507 110.621 -1.114 1
1 1563 . 1 2 2 B 33 33 LEU H H 76 8.841 8.872 -0.031 1
1 1564 . 1 2 2 B 33 33 LEU HA H 76 3.773 4.059 -0.286 1
1 1574 . 1 2 2 B 33 33 LEU C C 76 178.737 178.729 0.008 1
1 1575 . 1 2 2 B 33 33 LEU CA C 76 57.892 57.213 0.679 1
1 1576 . 1 2 2 B 33 33 LEU CB C 76 41.057 41.925 -0.868 1
1 1580 . 1 2 2 B 33 33 LEU N N 76 121.099 121.732 -0.633 1
1 1581 . 1 2 2 B 34 34 ASP H H 77 7.983 8.200 -0.217 1
1 1582 . 1 2 2 B 34 34 ASP HA H 77 4.431 4.350 0.081 1
1 1585 . 1 2 2 B 34 34 ASP C C 77 177.088 177.822 -0.734 1
1 1586 . 1 2 2 B 34 34 ASP CA C 77 55.837 57.136 -1.299 1
1 1587 . 1 2 2 B 34 34 ASP CB C 77 40.498 40.828 -0.330 1
1 1588 . 1 2 2 B 34 34 ASP N N 77 113.851 119.599 -5.748 1
1 1589 . 1 2 2 B 35 35 GLU H H 78 7.561 8.113 -0.552 1
1 1590 . 1 2 2 B 35 35 GLU HA H 78 4.320 4.226 0.094 1
1 1595 . 1 2 2 B 35 35 GLU C C 78 175.482 177.351 -1.869 1
1 1596 . 1 2 2 B 35 35 GLU CA C 78 55.918 57.872 -1.954 1
1 1597 . 1 2 2 B 35 35 GLU CB C 78 30.767 29.721 1.046 1
1 1599 . 1 2 2 B 35 35 GLU N N 78 117.508 116.797 0.711 1
1 15 . 2 1 1 A 5 5 ALA H H 2 8.098 8.510 -0.412 1
1 16 . 2 1 1 A 5 5 ALA HA H 2 4.389 4.412 -0.023 1
1 20 . 2 1 1 A 5 5 ALA CA C 2 51.852 52.538 -0.686 1
1 21 . 2 1 1 A 5 5 ALA CB C 2 19.420 21.601 -2.181 1
1 22 . 2 1 1 A 5 5 ALA N N 2 125.572 122.940 2.632 1
1 23 . 2 1 1 A 6 6 TYR H H 3 8.402 8.316 0.086 1
1 24 . 2 1 1 A 6 6 TYR HA H 3 4.236 4.698 -0.462 1
1 31 . 2 1 1 A 6 6 TYR CA C 3 57.802 57.019 0.783 1
1 32 . 2 1 1 A 6 6 TYR CB C 3 39.608 40.508 -0.900 1
1 35 . 2 1 1 A 6 6 TYR N N 3 120.730 116.369 4.361 1
1 36 . 2 1 1 A 7 7 PHE H H 4 8.958 8.716 0.242 1
1 37 . 2 1 1 A 7 7 PHE HA H 4 4.509 5.016 -0.507 1
1 45 . 2 1 1 A 7 7 PHE CA C 4 57.936 57.544 0.392 1
1 46 . 2 1 1 A 7 7 PHE CB C 4 40.613 41.477 -0.864 1
1 50 . 2 1 1 A 7 7 PHE N N 4 118.436 120.055 -1.619 1
1 51 . 2 1 1 A 8 8 LEU H H 5 8.711 8.726 -0.015 1
1 52 . 2 1 1 A 8 8 LEU HA H 5 5.336 5.301 0.035 1
1 62 . 2 1 1 A 8 8 LEU CA C 5 53.391 53.724 -0.333 1
1 63 . 2 1 1 A 8 8 LEU CB C 5 44.716 45.958 -1.242 1
1 67 . 2 1 1 A 8 8 LEU N N 5 122.810 122.069 0.741 1
1 68 . 2 1 1 A 9 9 ASP H H 6 9.145 8.724 0.421 1
1 69 . 2 1 1 A 9 9 ASP HA H 6 5.999 5.426 0.573 1
1 72 . 2 1 1 A 9 9 ASP CA C 6 51.759 52.813 -1.054 1
1 73 . 2 1 1 A 9 9 ASP CB C 6 44.757 45.848 -1.091 1
1 74 . 2 1 1 A 9 9 ASP N N 6 124.570 124.737 -0.167 1
1 75 . 2 1 1 A 10 10 PHE H H 7 9.884 9.204 0.680 1
1 76 . 2 1 1 A 10 10 PHE HA H 7 5.231 5.164 0.067 1
1 83 . 2 1 1 A 10 10 PHE CA C 7 55.321 56.783 -1.462 1
1 84 . 2 1 1 A 10 10 PHE CB C 7 42.863 42.898 -0.035 1
1 88 . 2 1 1 A 10 10 PHE N N 7 123.156 119.282 3.874 1
1 89 . 2 1 1 A 11 11 ASP H H 8 8.986 8.657 0.329 1
1 90 . 2 1 1 A 11 11 ASP HA H 8 4.924 4.842 0.082 1
1 93 . 2 1 1 A 11 11 ASP CA C 8 55.122 54.736 0.386 1
1 94 . 2 1 1 A 11 11 ASP CB C 8 44.453 42.859 1.594 1
1 95 . 2 1 1 A 11 11 ASP N N 8 123.103 124.386 -1.283 1
1 96 . 2 1 1 A 12 12 GLU H H 9 9.685 8.942 0.743 1
1 97 . 2 1 1 A 12 12 GLU HA H 9 3.984 4.065 -0.081 1
1 102 . 2 1 1 A 12 12 GLU CA C 9 60.974 59.535 1.439 1
1 103 . 2 1 1 A 12 12 GLU CB C 9 31.222 29.380 1.842 1
1 105 . 2 1 1 A 12 12 GLU N N 9 128.730 125.134 3.596 1
1 106 . 2 1 1 A 13 13 ARG H H 10 9.626 8.055 1.571 1
1 107 . 2 1 1 A 13 13 ARG HA H 10 4.063 4.025 0.038 1
1 114 . 2 1 1 A 13 13 ARG CA C 10 59.013 58.904 0.109 1
1 115 . 2 1 1 A 13 13 ARG CB C 10 30.124 30.352 -0.228 1
1 118 . 2 1 1 A 13 13 ARG N N 10 117.930 119.019 -1.089 1
1 119 . 2 1 1 A 14 14 ALA H H 11 7.268 8.295 -1.027 1
1 120 . 2 1 1 A 14 14 ALA HA H 11 5.323 4.186 1.137 1
1 124 . 2 1 1 A 14 14 ALA CA C 11 53.013 55.007 -1.994 1
1 125 . 2 1 1 A 14 14 ALA CB C 11 18.072 18.743 -0.671 1
1 126 . 2 1 1 A 14 14 ALA N N 11 122.063 122.196 -0.133 1
1 127 . 2 1 1 A 15 15 LEU H H 12 8.773 8.132 0.641 1
1 128 . 2 1 1 A 15 15 LEU HA H 12 4.318 3.107 1.211 1
1 138 . 2 1 1 A 15 15 LEU CA C 12 57.404 57.722 -0.318 1
1 139 . 2 1 1 A 15 15 LEU CB C 12 41.842 41.641 0.201 1
1 143 . 2 1 1 A 15 15 LEU N N 12 121.956 118.790 3.166 1
1 144 . 2 1 1 A 16 16 LYS H H 13 7.515 7.683 -0.168 1
1 145 . 2 1 1 A 16 16 LYS HA H 13 4.099 3.797 0.302 1
1 154 . 2 1 1 A 16 16 LYS CA C 13 59.837 59.510 0.327 1
1 155 . 2 1 1 A 16 16 LYS CB C 13 32.297 31.968 0.329 1
1 159 . 2 1 1 A 16 16 LYS N N 13 118.250 116.971 1.279 1
1 160 . 2 1 1 A 17 17 GLU H H 14 7.416 7.903 -0.487 1
1 161 . 2 1 1 A 17 17 GLU HA H 14 3.959 4.012 -0.053 1
1 166 . 2 1 1 A 17 17 GLU CA C 14 59.458 59.359 0.099 1
1 167 . 2 1 1 A 17 17 GLU CB C 14 29.644 29.479 0.165 1
1 169 . 2 1 1 A 17 17 GLU N N 14 118.330 119.534 -1.204 1
1 170 . 2 1 1 A 18 18 TRP H H 15 9.095 7.954 1.141 1
1 171 . 2 1 1 A 18 18 TRP HA H 15 4.013 4.490 -0.477 1
1 178 . 2 1 1 A 18 18 TRP CA C 15 60.476 60.027 0.449 1
1 179 . 2 1 1 A 18 18 TRP CB C 15 29.644 28.003 1.641 1
1 182 . 2 1 1 A 18 18 TRP N N 15 121.770 118.179 3.591 1
1 183 . 2 1 1 A 19 19 ARG H H 16 8.060 7.218 0.842 1
1 184 . 2 1 1 A 19 19 ARG HA H 16 4.030 4.158 -0.128 1
1 191 . 2 1 1 A 19 19 ARG CA C 16 57.993 58.306 -0.313 1
1 192 . 2 1 1 A 19 19 ARG CB C 16 29.948 30.112 -0.164 1
1 195 . 2 1 1 A 19 19 ARG N N 16 113.396 120.947 -7.551 1
1 196 . 2 1 1 A 20 20 LYS H H 17 7.274 7.657 -0.383 1
1 197 . 2 1 1 A 20 20 LYS HA H 17 4.311 4.254 0.057 1
1 206 . 2 1 1 A 20 20 LYS CA C 17 57.183 57.914 -0.731 1
1 207 . 2 1 1 A 20 20 LYS CB C 17 32.106 32.791 -0.685 1
1 211 . 2 1 1 A 20 20 LYS N N 17 116.232 117.017 -0.785 1
1 212 . 2 1 1 A 21 21 LEU H H 18 7.359 7.803 -0.444 1
1 213 . 2 1 1 A 21 21 LEU HA H 18 4.074 4.439 -0.365 1
1 223 . 2 1 1 A 21 21 LEU CA C 18 54.367 54.812 -0.445 1
1 224 . 2 1 1 A 21 21 LEU CB C 18 43.185 43.646 -0.461 1
1 228 . 2 1 1 A 21 21 LEU N N 18 119.903 115.110 4.793 1
1 229 . 2 1 1 A 22 22 GLY H H 19 8.455 7.200 1.255 1
1 230 . 2 1 1 A 22 22 GLY HA2 H 19 4.103 3.982 0.121 1
1 231 . 2 1 1 A 22 22 GLY HA3 H 19 3.888 4.041 -0.153 1
1 232 . 2 1 1 A 22 22 GLY CA C 19 44.739 45.152 -0.413 1
1 233 . 2 1 1 A 22 22 GLY N N 19 108.063 107.523 0.540 1
1 234 . 2 1 1 A 23 23 SER H H 20 8.711 9.068 -0.357 1
1 235 . 2 1 1 A 23 23 SER HA H 20 4.422 4.121 0.301 1
1 238 . 2 1 1 A 23 23 SER CA C 20 58.325 62.581 -4.256 1
1 239 . 2 1 1 A 23 23 SER CB C 20 63.754 62.928 0.826 1
1 240 . 2 1 1 A 23 23 SER N N 20 117.509 117.690 -0.181 1
1 241 . 2 1 1 A 24 24 THR H H 21 8.273 7.930 0.343 1
1 242 . 2 1 1 A 24 24 THR HA H 21 4.026 4.017 0.009 1
1 247 . 2 1 1 A 24 24 THR CA C 21 65.605 65.723 -0.118 1
1 248 . 2 1 1 A 24 24 THR CB C 21 68.013 68.538 -0.525 1
1 250 . 2 1 1 A 24 24 THR N N 21 116.047 118.146 -2.099 1
1 251 . 2 1 1 A 25 25 VAL H H 22 7.075 8.076 -1.001 1
1 252 . 2 1 1 A 25 25 VAL HA H 22 3.507 3.529 -0.022 1
1 260 . 2 1 1 A 25 25 VAL CA C 22 65.475 66.827 -1.352 1
1 261 . 2 1 1 A 25 25 VAL CB C 22 31.319 31.286 0.033 1
1 264 . 2 1 1 A 25 25 VAL N N 22 122.543 122.007 0.536 1
1 265 . 2 1 1 A 26 26 ARG H H 23 7.781 8.474 -0.693 1
1 266 . 2 1 1 A 26 26 ARG HA H 23 3.116 3.997 -0.881 1
1 273 . 2 1 1 A 26 26 ARG CA C 23 60.215 58.760 1.455 1
1 274 . 2 1 1 A 26 26 ARG CB C 23 30.555 30.090 0.465 1
1 277 . 2 1 1 A 26 26 ARG N N 23 118.490 120.097 -1.607 1
1 278 . 2 1 1 A 27 27 GLU H H 24 8.107 8.106 0.001 1
1 279 . 2 1 1 A 27 27 GLU HA H 24 4.031 4.084 -0.053 1
1 284 . 2 1 1 A 27 27 GLU CA C 24 59.421 59.026 0.395 1
1 285 . 2 1 1 A 27 27 GLU CB C 24 29.126 29.303 -0.177 1
1 287 . 2 1 1 A 27 27 GLU N N 24 116.756 118.709 -1.953 1
1 288 . 2 1 1 A 28 28 GLN H H 25 7.760 7.584 0.176 1
1 289 . 2 1 1 A 28 28 GLN HA H 25 4.097 4.010 0.087 1
1 296 . 2 1 1 A 28 28 GLN CA C 25 59.055 58.697 0.358 1
1 297 . 2 1 1 A 28 28 GLN CB C 25 29.925 27.851 2.074 1
1 299 . 2 1 1 A 28 28 GLN N N 25 118.410 119.131 -0.721 1
1 301 . 2 1 1 A 29 29 LEU H H 26 8.631 7.845 0.786 1
1 302 . 2 1 1 A 29 29 LEU HA H 26 4.145 4.078 0.067 1
1 312 . 2 1 1 A 29 29 LEU CA C 26 57.929 57.939 -0.010 1
1 313 . 2 1 1 A 29 29 LEU CB C 26 42.787 41.300 1.487 1
1 317 . 2 1 1 A 29 29 LEU N N 26 119.716 120.093 -0.377 1
1 318 . 2 1 1 A 30 30 LYS H H 27 9.183 8.010 1.173 1
1 319 . 2 1 1 A 30 30 LYS HA H 27 3.981 3.944 0.037 1
1 328 . 2 1 1 A 30 30 LYS CA C 27 61.364 59.617 1.747 1
1 329 . 2 1 1 A 30 30 LYS CB C 27 32.137 31.850 0.287 1
1 333 . 2 1 1 A 30 30 LYS N N 27 120.836 117.820 3.016 1
1 334 . 2 1 1 A 31 31 LYS H H 28 7.580 7.613 -0.033 1
1 335 . 2 1 1 A 31 31 LYS HA H 28 4.050 4.093 -0.043 1
1 344 . 2 1 1 A 31 31 LYS CA C 28 59.586 59.445 0.141 1
1 345 . 2 1 1 A 31 31 LYS CB C 28 32.373 32.045 0.328 1
1 349 . 2 1 1 A 31 31 LYS N N 28 116.783 119.481 -2.698 1
1 350 . 2 1 1 A 32 32 LYS H H 29 7.300 7.413 -0.113 1
1 351 . 2 1 1 A 32 32 LYS HA H 29 4.090 4.089 0.001 1
1 360 . 2 1 1 A 32 32 LYS CA C 29 57.130 58.543 -1.413 1
1 361 . 2 1 1 A 32 32 LYS N N 29 116.383 118.942 -2.559 1
1 362 . 2 1 1 A 33 33 LEU H H 30 8.722 7.916 0.806 1
1 363 . 2 1 1 A 33 33 LEU HA H 30 3.881 3.906 -0.025 1
1 373 . 2 1 1 A 33 33 LEU CA C 30 57.634 57.706 -0.072 1
1 374 . 2 1 1 A 33 33 LEU CB C 30 42.116 41.555 0.561 1
1 378 . 2 1 1 A 33 33 LEU N N 30 121.770 119.885 1.885 1
1 379 . 2 1 1 A 34 34 VAL H H 31 8.067 7.923 0.144 1
1 380 . 2 1 1 A 34 34 VAL HA H 31 3.479 3.735 -0.256 1
1 388 . 2 1 1 A 34 34 VAL CA C 31 66.847 65.075 1.772 1
1 389 . 2 1 1 A 34 34 VAL CB C 31 31.860 31.113 0.747 1
1 392 . 2 1 1 A 34 34 VAL N N 31 118.116 119.739 -1.623 1
1 393 . 2 1 1 A 35 35 GLU H H 32 6.825 8.162 -1.337 1
1 394 . 2 1 1 A 35 35 GLU HA H 32 4.090 4.047 0.043 1
1 399 . 2 1 1 A 35 35 GLU CA C 32 58.624 59.242 -0.618 1
1 400 . 2 1 1 A 35 35 GLU CB C 32 29.746 29.088 0.658 1
1 402 . 2 1 1 A 35 35 GLU N N 32 116.570 120.083 -3.513 1
1 403 . 2 1 1 A 36 36 VAL H H 33 7.785 7.282 0.503 1
1 404 . 2 1 1 A 36 36 VAL HA H 33 3.484 4.076 -0.592 1
1 412 . 2 1 1 A 36 36 VAL CA C 33 65.213 65.582 -0.369 1
1 413 . 2 1 1 A 36 36 VAL CB C 33 31.932 31.084 0.848 1
1 416 . 2 1 1 A 36 36 VAL N N 33 120.618 116.930 3.688 1
1 417 . 2 1 1 A 37 37 LEU H H 34 7.956 7.431 0.525 1
1 418 . 2 1 1 A 37 37 LEU HA H 34 3.747 4.074 -0.327 1
1 428 . 2 1 1 A 37 37 LEU CA C 34 57.069 56.678 0.391 1
1 429 . 2 1 1 A 37 37 LEU CB C 34 40.916 41.740 -0.824 1
1 433 . 2 1 1 A 37 37 LEU N N 34 115.476 121.764 -6.288 1
1 434 . 2 1 1 A 38 38 GLU H H 35 7.042 7.464 -0.422 1
1 435 . 2 1 1 A 38 38 GLU HA H 35 4.395 4.617 -0.222 1
1 440 . 2 1 1 A 38 38 GLU CA C 35 57.553 56.149 1.404 1
1 441 . 2 1 1 A 38 38 GLU CB C 35 30.234 31.812 -1.578 1
1 443 . 2 1 1 A 38 38 GLU N N 35 114.356 117.036 -2.680 1
1 444 . 2 1 1 A 39 39 SER H H 36 7.125 7.753 -0.628 1
1 445 . 2 1 1 A 39 39 SER HA H 36 4.593 4.782 -0.189 1
1 448 . 2 1 1 A 39 39 SER CA C 36 55.308 56.218 -0.910 1
1 449 . 2 1 1 A 39 39 SER CB C 36 62.305 63.471 -1.166 1
1 450 . 2 1 1 A 39 39 SER N N 36 109.796 114.351 -4.555 1
1 451 . 2 1 1 A 40 40 PRO HA H 37 4.360 4.507 -0.147 1
1 458 . 2 1 1 A 40 40 PRO CA C 37 64.802 63.683 1.119 1
1 459 . 2 1 1 A 40 40 PRO CB C 37 32.562 32.809 -0.247 1
1 462 . 2 1 1 A 41 41 ARG H H 38 8.356 8.213 0.143 1
1 463 . 2 1 1 A 41 41 ARG HA H 38 3.271 3.936 -0.665 1
1 470 . 2 1 1 A 41 41 ARG CA C 38 56.364 54.813 1.551 1
1 471 . 2 1 1 A 41 41 ARG CB C 38 29.580 28.796 0.784 1
1 474 . 2 1 1 A 41 41 ARG N N 38 120.882 119.569 1.313 1
1 475 . 2 1 1 A 42 42 ILE H H 39 5.973 7.199 -1.226 1
1 476 . 2 1 1 A 42 42 ILE HA H 39 4.216 4.255 -0.039 1
1 486 . 2 1 1 A 42 42 ILE CA C 39 60.301 60.480 -0.179 1
1 487 . 2 1 1 A 42 42 ILE CB C 39 38.705 36.671 2.034 1
1 491 . 2 1 1 A 42 42 ILE N N 39 127.866 125.166 2.700 1
1 492 . 2 1 1 A 43 43 GLU H H 40 8.860 8.477 0.383 1
1 493 . 2 1 1 A 43 43 GLU HA H 40 4.218 4.044 0.174 1
1 498 . 2 1 1 A 43 43 GLU CA C 40 59.945 59.785 0.160 1
1 499 . 2 1 1 A 43 43 GLU CB C 40 29.040 29.262 -0.222 1
1 501 . 2 1 1 A 43 43 GLU N N 40 129.498 129.072 0.426 1
1 502 . 2 1 1 A 44 44 ALA H H 41 8.827 7.853 0.974 1
1 503 . 2 1 1 A 44 44 ALA HA H 41 4.241 4.122 0.119 1
1 507 . 2 1 1 A 44 44 ALA CA C 41 54.035 54.292 -0.257 1
1 508 . 2 1 1 A 44 44 ALA CB C 41 18.466 18.185 0.281 1
1 509 . 2 1 1 A 44 44 ALA N N 41 119.919 121.537 -1.618 1
1 510 . 2 1 1 A 45 45 ASN H H 42 8.184 8.064 0.120 1
1 511 . 2 1 1 A 45 45 ASN HA H 42 5.082 4.837 0.245 1
1 516 . 2 1 1 A 45 45 ASN CA C 42 51.401 53.231 -1.830 1
1 517 . 2 1 1 A 45 45 ASN CB C 42 38.684 39.328 -0.644 1
1 518 . 2 1 1 A 45 45 ASN N N 42 114.675 114.268 0.407 1
1 520 . 2 1 1 A 46 46 LYS H H 43 7.515 7.328 0.187 1
1 521 . 2 1 1 A 46 46 LYS HA H 43 3.741 4.472 -0.731 1
1 530 . 2 1 1 A 46 46 LYS CA C 43 57.354 56.569 0.785 1
1 531 . 2 1 1 A 46 46 LYS CB C 43 32.905 32.747 0.158 1
1 535 . 2 1 1 A 46 46 LYS N N 43 122.167 119.471 2.696 1
1 536 . 2 1 1 A 47 47 LEU H H 44 8.184 8.009 0.175 1
1 537 . 2 1 1 A 47 47 LEU HA H 44 4.297 4.306 -0.009 1
1 547 . 2 1 1 A 47 47 LEU CA C 44 53.422 55.097 -1.675 1
1 548 . 2 1 1 A 47 47 LEU CB C 44 42.208 43.574 -1.366 1
1 552 . 2 1 1 A 47 47 LEU N N 44 127.544 124.960 2.584 1
1 553 . 2 1 1 A 48 48 ARG H H 45 8.706 8.879 -0.173 1
1 554 . 2 1 1 A 48 48 ARG HA H 45 3.918 4.114 -0.196 1
1 561 . 2 1 1 A 48 48 ARG CA C 45 57.765 59.754 -1.989 1
1 562 . 2 1 1 A 48 48 ARG CB C 45 29.686 29.983 -0.297 1
1 565 . 2 1 1 A 48 48 ARG N N 45 128.641 126.012 2.629 1
1 566 . 2 1 1 A 49 49 GLY H H 46 8.543 7.926 0.617 1
1 567 . 2 1 1 A 49 49 GLY HA2 H 46 4.129 3.963 0.166 1
1 568 . 2 1 1 A 49 49 GLY HA3 H 46 3.662 3.963 -0.301 1
1 569 . 2 1 1 A 49 49 GLY CA C 46 44.981 45.167 -0.186 1
1 570 . 2 1 1 A 49 49 GLY N N 46 110.474 105.760 4.714 1
1 571 . 2 1 1 A 50 50 MET H H 47 7.404 7.658 -0.254 1
1 572 . 2 1 1 A 50 50 MET HA H 47 5.226 4.924 0.302 1
1 580 . 2 1 1 A 50 50 MET CA C 47 50.824 52.392 -1.568 1
1 581 . 2 1 1 A 50 50 MET CB C 47 33.186 32.712 0.474 1
1 584 . 2 1 1 A 50 50 MET N N 47 118.742 118.964 -0.222 1
1 585 . 2 1 1 A 51 51 PRO HA H 48 4.344 4.326 0.018 1
1 592 . 2 1 1 A 51 51 PRO CA C 48 63.591 64.105 -0.514 1
1 593 . 2 1 1 A 51 51 PRO CB C 48 31.942 31.768 0.174 1
1 596 . 2 1 1 A 52 52 ASP H H 49 8.703 7.987 0.716 1
1 597 . 2 1 1 A 52 52 ASP HA H 49 4.392 4.657 -0.265 1
1 600 . 2 1 1 A 52 52 ASP CA C 49 56.244 53.874 2.370 1
1 601 . 2 1 1 A 52 52 ASP N N 49 116.361 116.361 0.000 1
1 602 . 2 1 1 A 53 53 CYS H H 50 7.456 7.032 0.424 1
1 603 . 2 1 1 A 53 53 CYS HA H 50 5.799 4.637 1.162 1
1 606 . 2 1 1 A 53 53 CYS CA C 50 58.147 56.565 1.582 1
1 607 . 2 1 1 A 53 53 CYS CB C 50 30.953 30.942 0.011 1
1 608 . 2 1 1 A 53 53 CYS N N 50 114.086 118.211 -4.125 1
1 609 . 2 1 1 A 54 54 TYR H H 51 8.939 8.531 0.408 1
1 610 . 2 1 1 A 54 54 TYR HA H 51 4.662 5.202 -0.540 1
1 617 . 2 1 1 A 54 54 TYR CA C 51 56.444 56.149 0.295 1
1 618 . 2 1 1 A 54 54 TYR CB C 51 43.000 43.113 -0.113 1
1 620 . 2 1 1 A 54 54 TYR N N 51 120.722 123.552 -2.830 1
1 621 . 2 1 1 A 55 55 LYS H H 52 8.665 8.634 0.031 1
1 622 . 2 1 1 A 55 55 LYS HA H 52 5.456 5.118 0.338 1
1 631 . 2 1 1 A 55 55 LYS CA C 52 53.968 54.785 -0.817 1
1 632 . 2 1 1 A 55 55 LYS CB C 52 36.126 35.542 0.584 1
1 636 . 2 1 1 A 55 55 LYS N N 52 117.297 120.050 -2.753 1
1 637 . 2 1 1 A 56 56 ILE H H 53 9.272 9.059 0.213 1
1 638 . 2 1 1 A 56 56 ILE HA H 53 4.428 5.108 -0.680 1
1 648 . 2 1 1 A 56 56 ILE CA C 53 60.803 59.518 1.285 1
1 649 . 2 1 1 A 56 56 ILE CB C 53 40.849 41.302 -0.453 1
1 653 . 2 1 1 A 56 56 ILE N N 53 122.006 124.745 -2.739 1
1 654 . 2 1 1 A 57 57 LYS H H 54 8.745 8.928 -0.183 1
1 655 . 2 1 1 A 57 57 LYS HA H 54 5.093 5.132 -0.039 1
1 664 . 2 1 1 A 57 57 LYS CA C 54 54.227 54.893 -0.666 1
1 665 . 2 1 1 A 57 57 LYS CB C 54 35.595 36.133 -0.538 1
1 669 . 2 1 1 A 57 57 LYS N N 54 125.752 122.960 2.792 1
1 670 . 2 1 1 A 58 58 LEU H H 55 8.543 8.842 -0.299 1
1 671 . 2 1 1 A 58 58 LEU HA H 55 4.788 4.335 0.453 1
1 681 . 2 1 1 A 58 58 LEU CA C 55 53.151 55.113 -1.962 1
1 682 . 2 1 1 A 58 58 LEU CB C 55 41.238 41.118 0.120 1
1 686 . 2 1 1 A 58 58 LEU N N 55 124.173 125.470 -1.297 1
1 687 . 2 1 1 A 59 59 ARG HA H 56 4.039 4.160 -0.121 1
1 694 . 2 1 1 A 59 59 ARG CA C 56 59.531 58.739 0.792 1
1 695 . 2 1 1 A 59 59 ARG CB C 56 32.180 30.205 1.975 1
1 698 . 2 1 1 A 60 60 SER HA H 57 4.335 4.720 -0.385 1
1 701 . 2 1 1 A 60 60 SER CA C 57 60.035 57.279 2.756 1
1 702 . 2 1 1 A 60 60 SER CB C 57 62.551 64.032 -1.481 1
1 703 . 2 1 1 A 61 61 SER H H 58 7.605 7.926 -0.321 1
1 704 . 2 1 1 A 61 61 SER HA H 58 4.604 4.782 -0.178 1
1 707 . 2 1 1 A 61 61 SER CA C 58 58.122 59.799 -1.677 1
1 708 . 2 1 1 A 61 61 SER CB C 58 64.520 65.505 -0.985 1
1 709 . 2 1 1 A 61 61 SER N N 58 112.447 116.301 -3.854 1
1 710 . 2 1 1 A 62 62 GLY H H 59 8.214 8.437 -0.223 1
1 711 . 2 1 1 A 62 62 GLY HA2 H 59 4.091 3.894 0.197 1
1 712 . 2 1 1 A 62 62 GLY HA3 H 59 3.824 3.952 -0.128 1
1 713 . 2 1 1 A 62 62 GLY CA C 59 45.562 45.117 0.445 1
1 714 . 2 1 1 A 62 62 GLY N N 59 108.976 109.020 -0.044 1
1 715 . 2 1 1 A 63 63 TYR H H 60 7.283 7.954 -0.671 1
1 716 . 2 1 1 A 63 63 TYR HA H 60 4.619 4.583 0.036 1
1 723 . 2 1 1 A 63 63 TYR CA C 60 60.412 58.627 1.785 1
1 724 . 2 1 1 A 63 63 TYR CB C 60 40.339 39.551 0.788 1
1 727 . 2 1 1 A 63 63 TYR N N 60 117.859 119.896 -2.037 1
1 728 . 2 1 1 A 64 64 ARG H H 61 9.296 8.872 0.424 1
1 729 . 2 1 1 A 64 64 ARG HA H 61 5.634 5.079 0.555 1
1 736 . 2 1 1 A 64 64 ARG CA C 61 54.114 54.579 -0.465 1
1 737 . 2 1 1 A 64 64 ARG CB C 61 33.245 34.065 -0.820 1
1 740 . 2 1 1 A 64 64 ARG N N 61 117.912 121.522 -3.610 1
1 741 . 2 1 1 A 65 65 LEU H H 62 9.077 8.939 0.138 1
1 742 . 2 1 1 A 65 65 LEU HA H 62 5.459 4.906 0.553 1
1 752 . 2 1 1 A 65 65 LEU CA C 62 54.114 54.723 -0.609 1
1 753 . 2 1 1 A 65 65 LEU CB C 62 46.977 45.802 1.175 1
1 757 . 2 1 1 A 65 65 LEU N N 62 123.590 123.550 0.040 1
1 758 . 2 1 1 A 66 66 VAL H H 63 8.729 9.077 -0.348 1
1 759 . 2 1 1 A 66 66 VAL HA H 63 5.206 4.839 0.367 1
1 767 . 2 1 1 A 66 66 VAL CA C 63 60.112 60.843 -0.731 1
1 768 . 2 1 1 A 66 66 VAL CB C 63 34.296 32.971 1.325 1
1 771 . 2 1 1 A 66 66 VAL N N 63 123.237 127.263 -4.026 1
1 772 . 2 1 1 A 67 67 TYR H H 64 8.976 8.941 0.035 1
1 773 . 2 1 1 A 67 67 TYR HA H 64 5.745 5.335 0.410 1
1 780 . 2 1 1 A 67 67 TYR CA C 64 53.968 55.216 -1.248 1
1 781 . 2 1 1 A 67 67 TYR CB C 64 42.534 41.678 0.856 1
1 784 . 2 1 1 A 67 67 TYR N N 64 124.227 124.160 0.067 1
1 785 . 2 1 1 A 68 68 GLN H H 65 9.696 8.772 0.924 1
1 786 . 2 1 1 A 68 68 GLN HA H 65 5.640 5.010 0.630 1
1 793 . 2 1 1 A 68 68 GLN CA C 65 52.933 54.232 -1.299 1
1 794 . 2 1 1 A 68 68 GLN CB C 65 33.585 32.373 1.212 1
1 796 . 2 1 1 A 68 68 GLN N N 65 122.541 120.018 2.523 1
1 798 . 2 1 1 A 69 69 VAL H H 66 9.050 9.130 -0.080 1
1 799 . 2 1 1 A 69 69 VAL HA H 66 4.513 4.836 -0.323 1
1 807 . 2 1 1 A 69 69 VAL CA C 66 62.534 61.945 0.589 1
1 808 . 2 1 1 A 69 69 VAL CB C 66 33.052 33.300 -0.248 1
1 811 . 2 1 1 A 69 69 VAL N N 66 127.437 126.732 0.705 1
1 812 . 2 1 1 A 70 70 ILE H H 67 9.385 8.951 0.434 1
1 813 . 2 1 1 A 70 70 ILE HA H 67 4.475 4.665 -0.190 1
1 823 . 2 1 1 A 70 70 ILE CA C 67 59.863 60.461 -0.598 1
1 824 . 2 1 1 A 70 70 ILE CB C 67 37.487 39.588 -2.101 1
1 828 . 2 1 1 A 70 70 ILE N N 67 129.296 126.842 2.454 1
1 829 . 2 1 1 A 71 71 ASP H H 68 9.343 9.112 0.231 1
1 830 . 2 1 1 A 71 71 ASP HA H 68 4.595 4.576 0.019 1
1 833 . 2 1 1 A 71 71 ASP CA C 68 58.841 57.210 1.631 1
1 834 . 2 1 1 A 71 71 ASP CB C 68 40.637 40.635 0.002 1
1 835 . 2 1 1 A 71 71 ASP N N 68 128.749 127.992 0.757 1
1 836 . 2 1 1 A 72 72 GLU H H 69 9.718 9.166 0.552 1
1 837 . 2 1 1 A 72 72 GLU HA H 69 4.124 4.071 0.053 1
1 842 . 2 1 1 A 72 72 GLU CA C 69 59.335 59.382 -0.047 1
1 843 . 2 1 1 A 72 72 GLU CB C 69 29.131 28.918 0.213 1
1 845 . 2 1 1 A 72 72 GLU N N 69 118.929 118.520 0.409 1
1 846 . 2 1 1 A 73 73 LYS H H 70 6.653 7.772 -1.119 1
1 847 . 2 1 1 A 73 73 LYS HA H 70 4.517 4.436 0.081 1
1 856 . 2 1 1 A 73 73 LYS CA C 70 54.587 55.989 -1.402 1
1 857 . 2 1 1 A 73 73 LYS CB C 70 33.843 32.621 1.222 1
1 861 . 2 1 1 A 73 73 LYS N N 70 114.113 117.389 -3.276 1
1 862 . 2 1 1 A 74 74 VAL H H 71 7.832 7.914 -0.082 1
1 863 . 2 1 1 A 74 74 VAL HA H 71 3.012 3.782 -0.770 1
1 871 . 2 1 1 A 74 74 VAL CA C 71 63.090 63.046 0.044 1
1 872 . 2 1 1 A 74 74 VAL CB C 71 29.226 30.052 -0.826 1
1 875 . 2 1 1 A 74 74 VAL N N 71 119.223 116.902 2.321 1
1 876 . 2 1 1 A 75 75 VAL H H 72 7.732 7.892 -0.160 1
1 877 . 2 1 1 A 75 75 VAL HA H 72 4.950 5.085 -0.135 1
1 885 . 2 1 1 A 75 75 VAL CA C 72 60.455 60.962 -0.507 1
1 886 . 2 1 1 A 75 75 VAL CB C 72 37.925 36.006 1.919 1
1 889 . 2 1 1 A 75 75 VAL N N 72 117.190 120.831 -3.641 1
1 890 . 2 1 1 A 76 76 VAL H H 73 9.026 8.927 0.099 1
1 891 . 2 1 1 A 76 76 VAL HA H 73 4.349 4.538 -0.189 1
1 899 . 2 1 1 A 76 76 VAL CA C 73 62.527 61.489 1.038 1
1 900 . 2 1 1 A 76 76 VAL CB C 73 32.882 31.755 1.127 1
1 903 . 2 1 1 A 76 76 VAL N N 73 128.347 127.089 1.258 1
1 904 . 2 1 1 A 77 77 PHE H H 74 9.629 9.184 0.445 1
1 905 . 2 1 1 A 77 77 PHE HA H 74 5.898 5.008 0.890 1
1 913 . 2 1 1 A 77 77 PHE CA C 74 51.863 56.084 -4.221 1
1 914 . 2 1 1 A 77 77 PHE CB C 74 40.214 40.222 -0.008 1
1 918 . 2 1 1 A 77 77 PHE N N 74 128.802 129.254 -0.452 1
1 919 . 2 1 1 A 78 78 VAL H H 75 9.535 8.642 0.893 1
1 920 . 2 1 1 A 78 78 VAL HA H 75 3.712 3.819 -0.107 1
1 928 . 2 1 1 A 78 78 VAL CA C 75 63.939 63.255 0.684 1
1 929 . 2 1 1 A 78 78 VAL CB C 75 31.079 30.844 0.235 1
1 932 . 2 1 1 A 78 78 VAL N N 75 128.588 127.602 0.986 1
1 933 . 2 1 1 A 79 79 ILE H H 76 8.515 8.734 -0.219 1
1 934 . 2 1 1 A 79 79 ILE HA H 76 3.443 3.647 -0.204 1
1 944 . 2 1 1 A 79 79 ILE CA C 76 61.950 62.693 -0.743 1
1 945 . 2 1 1 A 79 79 ILE CB C 76 40.800 38.432 2.368 1
1 949 . 2 1 1 A 79 79 ILE N N 76 126.287 128.814 -2.527 1
1 950 . 2 1 1 A 80 80 SER H H 77 7.180 7.249 -0.069 1
1 951 . 2 1 1 A 80 80 SER HA H 77 4.506 4.797 -0.291 1
1 954 . 2 1 1 A 80 80 SER CA C 77 57.464 57.452 0.012 1
1 955 . 2 1 1 A 80 80 SER CB C 77 64.912 65.431 -0.519 1
1 956 . 2 1 1 A 80 80 SER N N 77 111.625 112.538 -0.913 1
1 957 . 2 1 1 A 81 81 VAL H H 78 8.641 8.479 0.162 1
1 958 . 2 1 1 A 81 81 VAL HA H 78 5.066 5.143 -0.077 1
1 966 . 2 1 1 A 81 81 VAL CA C 78 60.913 60.696 0.217 1
1 967 . 2 1 1 A 81 81 VAL CB C 78 35.010 35.819 -0.809 1
1 970 . 2 1 1 A 81 81 VAL N N 78 126.742 122.975 3.767 1
1 971 . 2 1 1 A 82 82 GLY H H 79 8.658 8.467 0.191 1
1 972 . 2 1 1 A 82 82 GLY HA2 H 79 4.370 4.290 0.080 1
1 973 . 2 1 1 A 82 82 GLY HA3 H 79 4.160 4.458 -0.298 1
1 974 . 2 1 1 A 82 82 GLY CA C 79 46.036 44.631 1.405 1
1 975 . 2 1 1 A 82 82 GLY N N 79 111.223 111.513 -0.290 1
1 976 . 2 1 1 A 83 83 LYS H H 80 8.569 8.348 0.221 1
1 977 . 2 1 1 A 83 83 LYS HA H 80 4.369 4.673 -0.304 1
1 986 . 2 1 1 A 83 83 LYS CA C 80 54.855 55.188 -0.333 1
1 987 . 2 1 1 A 83 83 LYS CB C 80 34.866 32.431 2.435 1
1 991 . 2 1 1 A 83 83 LYS N N 80 121.257 120.696 0.561 1
1 992 . 2 1 1 A 84 84 ALA H H 81 8.334 8.498 -0.164 1
1 993 . 2 1 1 A 84 84 ALA HA H 81 4.274 4.410 -0.136 1
1 997 . 2 1 1 A 84 84 ALA CA C 81 52.003 51.878 0.125 1
1 998 . 2 1 1 A 84 84 ALA CB C 81 19.185 19.462 -0.277 1
1 999 . 2 1 1 A 84 84 ALA N N 81 126.662 128.584 -1.922 1
1 1000 . 2 1 1 A 85 85 GLU H H 82 8.638 8.495 0.143 1
1 1001 . 2 1 1 A 85 85 GLU HA H 82 4.214 4.378 -0.164 1
1 1006 . 2 1 1 A 85 85 GLU CA C 82 56.366 56.260 0.106 1
1 1007 . 2 1 1 A 85 85 GLU CB C 82 30.238 29.249 0.989 1
1 1009 . 2 1 1 A 85 85 GLU N N 82 121.819 119.918 1.901 1
1 1010 . 2 1 1 A 86 86 ALA H H 83 8.462 8.525 -0.063 1
1 1011 . 2 1 1 A 86 86 ALA HA H 83 4.341 4.323 0.018 1
1 1015 . 2 1 1 A 86 86 ALA CA C 83 52.156 52.706 -0.550 1
1 1016 . 2 1 1 A 86 86 ALA CB C 83 19.206 19.565 -0.359 1
1 1017 . 2 1 1 A 86 86 ALA N N 83 125.350 125.552 -0.202 1
1 1018 . 2 1 1 A 87 87 SER H H 84 8.309 7.648 0.661 1
1 1019 . 2 1 1 A 87 87 SER HA H 84 4.400 3.919 0.481 1
1 1022 . 2 1 1 A 87 87 SER CA C 84 58.058 59.432 -1.374 1
1 1023 . 2 1 1 A 87 87 SER CB C 84 63.845 63.900 -0.055 1
1 1024 . 2 1 1 A 87 87 SER N N 84 115.397 111.818 3.579 1
1 1025 . 2 1 1 A 88 88 GLU H H 85 8.443 7.826 0.617 1
1 1026 . 2 1 1 A 88 88 GLU HA H 85 4.318 4.175 0.143 1
1 1031 . 2 1 1 A 88 88 GLU CA C 85 56.465 59.027 -2.562 1
1 1032 . 2 1 1 A 88 88 GLU CB C 85 30.464 28.952 1.512 1
1 1034 . 2 1 1 A 88 88 GLU N N 85 122.947 121.908 1.039 1
1 1035 . 2 1 1 A 89 89 VAL H H 86 8.098 7.953 0.145 1
1 1036 . 2 1 1 A 89 89 VAL HA H 86 4.044 3.647 0.397 1
1 1044 . 2 1 1 A 89 89 VAL CA C 86 62.293 64.920 -2.627 1
1 1045 . 2 1 1 A 89 89 VAL CB C 86 32.703 31.295 1.408 1
1 1048 . 2 1 1 A 89 89 VAL N N 86 120.884 119.746 1.138 1
1 1049 . 2 1 1 A 90 90 TYR H H 87 8.313 7.385 0.928 1
1 1050 . 2 1 1 A 90 90 TYR HA H 87 4.623 4.493 0.130 1
1 1057 . 2 1 1 A 90 90 TYR CA C 87 57.791 58.761 -0.970 1
1 1058 . 2 1 1 A 90 90 TYR CB C 87 38.795 37.165 1.630 1
1 1061 . 2 1 1 A 90 90 TYR N N 87 124.634 120.841 3.793 1
1 1062 . 2 1 1 A 91 91 SER H H 88 8.140 7.776 0.364 1
1 1063 . 2 1 1 A 91 91 SER HA H 88 4.411 4.368 0.043 1
1 1066 . 2 1 1 A 91 91 SER CA C 88 58.396 61.277 -2.881 1
1 1067 . 2 1 1 A 91 91 SER CB C 88 63.703 62.620 1.083 1
1 1068 . 2 1 1 A 91 91 SER N N 88 118.447 116.486 1.961 1
1 1069 . 2 1 1 A 92 92 GLU H H 89 8.400 7.824 0.576 1
1 1070 . 2 1 1 A 92 92 GLU HA H 89 4.245 4.179 0.066 1
1 1075 . 2 1 1 A 92 92 GLU CA C 89 56.465 58.775 -2.310 1
1 1076 . 2 1 1 A 92 92 GLU CB C 89 29.471 30.322 -0.851 1
1 1078 . 2 1 1 A 92 92 GLU N N 89 122.947 118.286 4.661 1
1 1079 . 2 1 1 A 93 93 ALA H H 90 8.224 8.197 0.027 1
1 1080 . 2 1 1 A 93 93 ALA HA H 90 4.287 4.107 0.180 1
1 1084 . 2 1 1 A 93 93 ALA CA C 90 52.598 52.890 -0.292 1
1 1085 . 2 1 1 A 93 93 ALA CB C 90 18.864 17.896 0.968 1
1 1086 . 2 1 1 A 93 93 ALA N N 90 124.404 121.646 2.758 1
1 1087 . 2 1 1 A 94 94 VAL H H 91 7.971 8.575 -0.604 1
1 1088 . 2 1 1 A 94 94 VAL HA H 91 4.060 4.107 -0.047 1
1 1096 . 2 1 1 A 94 94 VAL CA C 91 62.072 62.659 -0.587 1
1 1097 . 2 1 1 A 94 94 VAL CB C 91 32.601 31.789 0.812 1
1 1100 . 2 1 1 A 94 94 VAL N N 91 119.330 125.711 -6.381 1
1 1101 . 2 1 1 A 95 95 LYS H H 92 8.271 8.718 -0.447 1
1 1102 . 2 1 1 A 95 95 LYS HA H 92 4.313 4.193 0.120 1
1 1111 . 2 1 1 A 95 95 LYS CA C 92 56.078 58.420 -2.342 1
1 1112 . 2 1 1 A 95 95 LYS CB C 92 32.924 33.237 -0.313 1
1 1116 . 2 1 1 A 95 95 LYS N N 92 124.941 121.428 3.513 1
1 1117 . 2 1 1 A 96 96 ARG H H 93 8.317 7.868 0.449 1
1 1118 . 2 1 1 A 96 96 ARG HA H 93 4.360 4.644 -0.284 1
1 1125 . 2 1 1 A 96 96 ARG CA C 93 55.901 57.465 -1.564 1
1 1126 . 2 1 1 A 96 96 ARG CB C 93 30.906 33.041 -2.135 1
1 1129 . 2 1 1 A 96 96 ARG N N 93 122.918 115.492 7.426 1
1 1130 . 2 1 1 A 97 97 ILE H H 94 8.251 7.715 0.536 1
1 1131 . 2 1 1 A 97 97 ILE HA H 94 4.184 4.739 -0.555 1
1 1141 . 2 1 1 A 97 97 ILE CA C 94 60.946 58.620 2.326 1
1 1142 . 2 1 1 A 97 97 ILE CB C 94 38.298 40.747 -2.449 1
1 1146 . 2 1 1 A 97 97 ILE N N 94 123.301 114.935 8.366 1
1 1191 . 2 2 2 B 5 5 GLN H H 48 8.533 8.548 -0.015 1
1 1192 . 2 2 2 B 5 5 GLN HA H 48 4.390 4.771 -0.381 1
1 1199 . 2 2 2 B 5 5 GLN C C 48 175.953 176.243 -0.290 1
1 1200 . 2 2 2 B 5 5 GLN CA C 48 55.760 54.652 1.108 1
1 1201 . 2 2 2 B 5 5 GLN CB C 48 29.225 30.723 -1.498 1
1 1203 . 2 2 2 B 5 5 GLN N N 48 122.121 122.089 0.032 1
1 1205 . 2 2 2 B 6 6 THR H H 49 8.281 8.832 -0.551 1
1 1206 . 2 2 2 B 6 6 THR HA H 49 4.316 4.788 -0.472 1
1 1211 . 2 2 2 B 6 6 THR C C 49 174.156 174.716 -0.560 1
1 1212 . 2 2 2 B 6 6 THR CA C 49 61.724 60.360 1.364 1
1 1213 . 2 2 2 B 6 6 THR CB C 49 69.452 71.770 -2.318 1
1 1215 . 2 2 2 B 6 6 THR N N 49 116.639 114.702 1.937 1
1 1216 . 2 2 2 B 7 7 LEU H H 50 8.328 8.459 -0.131 1
1 1217 . 2 2 2 B 7 7 LEU HA H 50 4.381 4.642 -0.261 1
1 1227 . 2 2 2 B 7 7 LEU C C 50 176.985 176.711 0.274 1
1 1228 . 2 2 2 B 7 7 LEU CA C 50 55.093 54.027 1.066 1
1 1229 . 2 2 2 B 7 7 LEU CB C 50 42.122 42.159 -0.037 1
1 1233 . 2 2 2 B 7 7 LEU N N 50 125.001 119.783 5.218 1
1 1234 . 2 2 2 B 8 8 LEU H H 51 8.264 7.450 0.814 1
1 1235 . 2 2 2 B 8 8 LEU HA H 51 4.410 4.529 -0.119 1
1 1245 . 2 2 2 B 8 8 LEU C C 51 177.235 175.989 1.246 1
1 1246 . 2 2 2 B 8 8 LEU CA C 51 54.936 53.492 1.444 1
1 1247 . 2 2 2 B 8 8 LEU CB C 51 42.292 43.758 -1.466 1
1 1251 . 2 2 2 B 8 8 LEU N N 51 123.073 118.649 4.424 1
1 1252 . 2 2 2 B 9 9 SER H H 52 8.499 9.090 -0.591 1
1 1253 . 2 2 2 B 9 9 SER HA H 52 4.410 4.777 -0.367 1
1 1256 . 2 2 2 B 9 9 SER C C 52 174.083 173.044 1.039 1
1 1257 . 2 2 2 B 9 9 SER CA C 52 57.757 56.138 1.619 1
1 1258 . 2 2 2 B 9 9 SER CB C 52 63.734 65.445 -1.711 1
1 1259 . 2 2 2 B 9 9 SER N N 52 117.150 115.314 1.836 1
1 1260 . 2 2 2 B 10 10 ASP H H 53 8.416 8.955 -0.539 1
1 1261 . 2 2 2 B 10 10 ASP HA H 53 4.575 4.365 0.210 1
1 1264 . 2 2 2 B 10 10 ASP C C 53 176.911 178.403 -1.492 1
1 1265 . 2 2 2 B 10 10 ASP CA C 53 54.678 57.211 -2.533 1
1 1266 . 2 2 2 B 10 10 ASP CB C 53 40.771 40.444 0.327 1
1 1267 . 2 2 2 B 10 10 ASP N N 53 122.632 123.293 -0.661 1
1 1268 . 2 2 2 B 11 11 GLU H H 54 8.486 8.500 -0.014 1
1 1269 . 2 2 2 B 11 11 GLU HA H 54 4.155 4.041 0.114 1
1 1274 . 2 2 2 B 11 11 GLU C C 54 177.220 178.513 -1.293 1
1 1275 . 2 2 2 B 11 11 GLU CA C 54 58.488 59.450 -0.962 1
1 1276 . 2 2 2 B 11 11 GLU CB C 54 29.615 29.261 0.354 1
1 1278 . 2 2 2 B 11 11 GLU N N 54 121.842 118.264 3.578 1
1 1279 . 2 2 2 B 12 12 ASP H H 55 8.301 7.874 0.427 1
1 1280 . 2 2 2 B 12 12 ASP HA H 55 4.470 4.311 0.159 1
1 1283 . 2 2 2 B 12 12 ASP C C 55 177.161 178.377 -1.216 1
1 1284 . 2 2 2 B 12 12 ASP CA C 55 55.901 57.183 -1.282 1
1 1285 . 2 2 2 B 12 12 ASP CB C 55 40.503 40.119 0.384 1
1 1286 . 2 2 2 B 12 12 ASP N N 55 120.309 120.561 -0.252 1
1 1287 . 2 2 2 B 13 13 ALA H H 56 8.114 7.966 0.148 1
1 1288 . 2 2 2 B 13 13 ALA HA H 56 3.986 3.979 0.007 1
1 1292 . 2 2 2 B 13 13 ALA C C 56 180.446 178.696 1.750 1
1 1293 . 2 2 2 B 13 13 ALA CA C 56 55.422 54.734 0.688 1
1 1294 . 2 2 2 B 13 13 ALA CB C 56 18.001 18.268 -0.267 1
1 1295 . 2 2 2 B 13 13 ALA N N 56 122.864 122.461 0.403 1
1 1296 . 2 2 2 B 14 14 GLU H H 57 8.105 7.540 0.565 1
1 1297 . 2 2 2 B 14 14 GLU HA H 57 4.010 4.230 -0.220 1
1 1302 . 2 2 2 B 14 14 GLU C C 57 178.914 179.272 -0.358 1
1 1303 . 2 2 2 B 14 14 GLU CA C 57 59.175 58.495 0.680 1
1 1304 . 2 2 2 B 14 14 GLU CB C 57 28.904 30.037 -1.133 1
1 1306 . 2 2 2 B 14 14 GLU N N 57 117.931 117.501 0.430 1
1 1307 . 2 2 2 B 15 15 LEU H H 58 7.813 7.986 -0.173 1
1 1308 . 2 2 2 B 15 15 LEU HA H 58 4.062 4.084 -0.022 1
1 1318 . 2 2 2 B 15 15 LEU C C 58 178.634 179.545 -0.911 1
1 1319 . 2 2 2 B 15 15 LEU CA C 58 56.960 57.791 -0.831 1
1 1320 . 2 2 2 B 15 15 LEU CB C 58 41.973 41.261 0.712 1
1 1324 . 2 2 2 B 15 15 LEU N N 58 119.867 120.471 -0.604 1
1 1325 . 2 2 2 B 16 16 VAL H H 59 8.491 7.802 0.689 1
1 1326 . 2 2 2 B 16 16 VAL HA H 59 3.365 3.862 -0.497 1
1 1334 . 2 2 2 B 16 16 VAL C C 59 177.147 177.622 -0.475 1
1 1335 . 2 2 2 B 16 16 VAL CA C 59 67.142 65.397 1.745 1
1 1336 . 2 2 2 B 16 16 VAL CB C 59 31.176 31.433 -0.257 1
1 1339 . 2 2 2 B 16 16 VAL N N 59 118.357 115.666 2.691 1
1 1340 . 2 2 2 B 17 17 GLU H H 60 7.411 8.262 -0.851 1
1 1341 . 2 2 2 B 17 17 GLU HA H 60 4.015 4.120 -0.105 1
1 1346 . 2 2 2 B 17 17 GLU C C 60 179.636 178.983 0.653 1
1 1347 . 2 2 2 B 17 17 GLU CA C 60 59.203 59.061 0.142 1
1 1348 . 2 2 2 B 17 17 GLU CB C 60 28.970 29.466 -0.496 1
1 1350 . 2 2 2 B 17 17 GLU N N 60 117.103 120.537 -3.434 1
1 1351 . 2 2 2 B 18 18 ILE H H 61 7.574 7.864 -0.290 1
1 1352 . 2 2 2 B 18 18 ILE HA H 61 3.830 3.705 0.125 1
1 1362 . 2 2 2 B 18 18 ILE C C 61 178.001 178.340 -0.339 1
1 1363 . 2 2 2 B 18 18 ILE CA C 61 63.982 65.156 -1.174 1
1 1364 . 2 2 2 B 18 18 ILE CB C 61 38.483 37.868 0.615 1
1 1368 . 2 2 2 B 18 18 ILE N N 61 120.727 121.409 -0.682 1
1 1369 . 2 2 2 B 19 19 VAL H H 62 8.294 8.108 0.186 1
1 1370 . 2 2 2 B 19 19 VAL HA H 62 3.360 3.800 -0.440 1
1 1378 . 2 2 2 B 19 19 VAL C C 62 177.338 177.933 -0.595 1
1 1379 . 2 2 2 B 19 19 VAL CA C 62 66.364 65.320 1.044 1
1 1380 . 2 2 2 B 19 19 VAL CB C 62 31.203 31.592 -0.389 1
1 1383 . 2 2 2 B 19 19 VAL N N 62 119.635 121.430 -1.795 1
1 1384 . 2 2 2 B 20 20 LYS H H 63 8.780 7.902 0.878 1
1 1385 . 2 2 2 B 20 20 LYS HA H 63 3.784 4.002 -0.218 1
1 1394 . 2 2 2 B 20 20 LYS C C 63 179.209 178.784 0.425 1
1 1395 . 2 2 2 B 20 20 LYS CA C 63 60.096 58.913 1.183 1
1 1396 . 2 2 2 B 20 20 LYS CB C 63 32.673 31.884 0.789 1
1 1400 . 2 2 2 B 20 20 LYS N N 63 118.009 120.753 -2.744 1
1 1401 . 2 2 2 B 21 21 GLU H H 64 7.567 8.234 -0.667 1
1 1402 . 2 2 2 B 21 21 GLU HA H 64 4.084 4.026 0.058 1
1 1407 . 2 2 2 B 21 21 GLU C C 64 179.592 179.585 0.007 1
1 1408 . 2 2 2 B 21 21 GLU CA C 64 58.728 59.466 -0.738 1
1 1409 . 2 2 2 B 21 21 GLU CB C 64 28.974 29.293 -0.319 1
1 1411 . 2 2 2 B 21 21 GLU N N 64 117.452 119.619 -2.167 1
1 1412 . 2 2 2 B 22 22 ARG H H 65 8.156 8.108 0.048 1
1 1413 . 2 2 2 B 22 22 ARG HA H 65 4.053 4.107 -0.054 1
1 1420 . 2 2 2 B 22 22 ARG C C 65 177.986 177.608 0.378 1
1 1421 . 2 2 2 B 22 22 ARG CA C 65 61.243 58.325 2.918 1
1 1422 . 2 2 2 B 22 22 ARG CB C 65 29.980 30.311 -0.331 1
1 1425 . 2 2 2 B 22 22 ARG N N 65 119.635 119.833 -0.198 1
1 1426 . 2 2 2 B 23 23 LEU H H 66 8.436 7.903 0.533 1
1 1427 . 2 2 2 B 23 23 LEU HA H 66 4.106 4.175 -0.069 1
1 1437 . 2 2 2 B 23 23 LEU C C 66 178.620 179.219 -0.599 1
1 1438 . 2 2 2 B 23 23 LEU CA C 66 56.667 55.820 0.847 1
1 1439 . 2 2 2 B 23 23 LEU CB C 66 41.465 41.536 -0.071 1
1 1443 . 2 2 2 B 23 23 LEU N N 66 115.686 117.386 -1.700 1
1 1444 . 2 2 2 B 24 24 ARG H H 67 7.404 8.640 -1.236 1
1 1445 . 2 2 2 B 24 24 ARG HA H 67 4.165 4.119 0.046 1
1 1452 . 2 2 2 B 24 24 ARG C C 67 177.147 176.468 0.679 1
1 1453 . 2 2 2 B 24 24 ARG CA C 67 59.004 58.964 0.040 1
1 1454 . 2 2 2 B 24 24 ARG CB C 67 30.472 30.005 0.467 1
1 1457 . 2 2 2 B 24 24 ARG N N 67 118.427 118.533 -0.106 1
1 1458 . 2 2 2 B 25 25 ASN H H 68 7.322 7.993 -0.671 1
1 1459 . 2 2 2 B 25 25 ASN HA H 68 5.064 5.202 -0.138 1
1 1464 . 2 2 2 B 25 25 ASN CA C 68 51.014 50.461 0.553 1
1 1465 . 2 2 2 B 25 25 ASN CB C 68 38.696 38.848 -0.152 1
1 1466 . 2 2 2 B 25 25 ASN N N 68 114.083 117.271 -3.188 1
1 1468 . 2 2 2 B 26 26 PRO HA H 69 4.521 4.374 0.147 1
1 1475 . 2 2 2 B 26 26 PRO C C 69 177.323 177.158 0.165 1
1 1476 . 2 2 2 B 26 26 PRO CA C 69 63.698 65.579 -1.881 1
1 1477 . 2 2 2 B 26 26 PRO CB C 69 33.286 31.745 1.541 1
1 1480 . 2 2 2 B 27 27 LYS H H 70 8.672 7.958 0.714 1
1 1481 . 2 2 2 B 27 27 LYS HA H 70 4.980 3.960 1.020 1
1 1490 . 2 2 2 B 27 27 LYS CA C 70 52.767 56.508 -3.741 1
1 1491 . 2 2 2 B 27 27 LYS CB C 70 33.540 31.024 2.516 1
1 1495 . 2 2 2 B 27 27 LYS N N 70 121.210 115.485 5.725 1
1 1496 . 2 2 2 B 28 28 PRO HA H 71 4.467 4.670 -0.203 1
1 1503 . 2 2 2 B 28 28 PRO C C 71 177.235 175.368 1.867 1
1 1504 . 2 2 2 B 28 28 PRO CA C 71 63.859 62.306 1.553 1
1 1505 . 2 2 2 B 28 28 PRO CB C 71 32.632 32.605 0.027 1
1 1508 . 2 2 2 B 29 29 VAL H H 72 9.036 8.440 0.596 1
1 1509 . 2 2 2 B 29 29 VAL HA H 72 4.155 4.556 -0.401 1
1 1517 . 2 2 2 B 29 29 VAL C C 72 174.554 175.472 -0.918 1
1 1518 . 2 2 2 B 29 29 VAL CA C 72 61.506 60.637 0.869 1
1 1519 . 2 2 2 B 29 29 VAL CB C 72 34.764 34.670 0.094 1
1 1522 . 2 2 2 B 29 29 VAL N N 72 124.322 120.704 3.618 1
1 1523 . 2 2 2 B 30 30 ARG H H 73 8.437 8.697 -0.260 1
1 1524 . 2 2 2 B 30 30 ARG HA H 73 5.195 4.526 0.669 1
1 1531 . 2 2 2 B 30 30 ARG C C 73 176.248 176.177 0.071 1
1 1532 . 2 2 2 B 30 30 ARG CA C 73 55.189 56.330 -1.141 1
1 1533 . 2 2 2 B 30 30 ARG CB C 73 27.764 30.669 -2.905 1
1 1536 . 2 2 2 B 30 30 ARG N N 73 129.461 127.663 1.798 1
1 1537 . 2 2 2 B 31 31 VAL H H 74 8.822 8.848 -0.026 1
1 1538 . 2 2 2 B 31 31 VAL HA H 74 4.889 5.133 -0.244 1
1 1546 . 2 2 2 B 31 31 VAL C C 74 173.965 174.066 -0.101 1
1 1547 . 2 2 2 B 31 31 VAL CA C 74 59.055 59.393 -0.338 1
1 1548 . 2 2 2 B 31 31 VAL CB C 74 35.653 36.042 -0.389 1
1 1551 . 2 2 2 B 31 31 VAL N N 74 123.375 118.426 4.949 1
1 1552 . 2 2 2 B 32 32 THR H H 75 7.855 8.361 -0.506 1
1 1553 . 2 2 2 B 32 32 THR HA H 75 4.730 5.076 -0.346 1
1 1558 . 2 2 2 B 32 32 THR C C 75 175.865 175.360 0.505 1
1 1559 . 2 2 2 B 32 32 THR CA C 75 59.052 59.179 -0.127 1
1 1560 . 2 2 2 B 32 32 THR CB C 75 71.228 71.856 -0.628 1
1 1562 . 2 2 2 B 32 32 THR N N 75 109.507 110.885 -1.378 1
1 1563 . 2 2 2 B 33 33 LEU H H 76 8.841 8.929 -0.088 1
1 1564 . 2 2 2 B 33 33 LEU HA H 76 3.773 4.069 -0.296 1
1 1574 . 2 2 2 B 33 33 LEU C C 76 178.737 178.702 0.035 1
1 1575 . 2 2 2 B 33 33 LEU CA C 76 57.892 57.656 0.236 1
1 1576 . 2 2 2 B 33 33 LEU CB C 76 41.057 41.385 -0.328 1
1 1580 . 2 2 2 B 33 33 LEU N N 76 121.099 122.388 -1.289 1
1 1581 . 2 2 2 B 34 34 ASP H H 77 7.983 8.340 -0.357 1
1 1582 . 2 2 2 B 34 34 ASP HA H 77 4.431 4.361 0.070 1
1 1585 . 2 2 2 B 34 34 ASP C C 77 177.088 177.732 -0.644 1
1 1586 . 2 2 2 B 34 34 ASP CA C 77 55.837 57.745 -1.908 1
1 1587 . 2 2 2 B 34 34 ASP CB C 77 40.498 41.474 -0.976 1
1 1588 . 2 2 2 B 34 34 ASP N N 77 113.851 119.726 -5.875 1
1 1589 . 2 2 2 B 35 35 GLU H H 78 7.561 8.190 -0.629 1
1 1590 . 2 2 2 B 35 35 GLU HA H 78 4.320 4.263 0.057 1
1 1595 . 2 2 2 B 35 35 GLU C C 78 175.482 177.575 -2.093 1
1 1596 . 2 2 2 B 35 35 GLU CA C 78 55.918 57.865 -1.947 1
1 1597 . 2 2 2 B 35 35 GLU CB C 78 30.767 29.720 1.047 1
1 1599 . 2 2 2 B 35 35 GLU N N 78 117.508 116.303 1.205 1
1 15 . 3 1 1 A 5 5 ALA H H 2 8.098 8.714 -0.616 1
1 16 . 3 1 1 A 5 5 ALA HA H 2 4.389 4.200 0.189 1
1 20 . 3 1 1 A 5 5 ALA CA C 2 51.852 53.534 -1.682 1
1 21 . 3 1 1 A 5 5 ALA CB C 2 19.420 20.237 -0.817 1
1 22 . 3 1 1 A 5 5 ALA N N 2 125.572 128.350 -2.778 1
1 23 . 3 1 1 A 6 6 TYR H H 3 8.402 7.658 0.744 1
1 24 . 3 1 1 A 6 6 TYR HA H 3 4.236 4.460 -0.224 1
1 31 . 3 1 1 A 6 6 TYR CA C 3 57.802 57.202 0.600 1
1 32 . 3 1 1 A 6 6 TYR CB C 3 39.608 39.464 0.144 1
1 35 . 3 1 1 A 6 6 TYR N N 3 120.730 116.386 4.344 1
1 36 . 3 1 1 A 7 7 PHE H H 4 8.958 8.739 0.219 1
1 37 . 3 1 1 A 7 7 PHE HA H 4 4.509 4.884 -0.375 1
1 45 . 3 1 1 A 7 7 PHE CA C 4 57.936 57.860 0.076 1
1 46 . 3 1 1 A 7 7 PHE CB C 4 40.613 40.323 0.290 1
1 50 . 3 1 1 A 7 7 PHE N N 4 118.436 122.314 -3.878 1
1 51 . 3 1 1 A 8 8 LEU H H 5 8.711 8.654 0.057 1
1 52 . 3 1 1 A 8 8 LEU HA H 5 5.336 5.228 0.108 1
1 62 . 3 1 1 A 8 8 LEU CA C 5 53.391 53.688 -0.297 1
1 63 . 3 1 1 A 8 8 LEU CB C 5 44.716 46.019 -1.303 1
1 67 . 3 1 1 A 8 8 LEU N N 5 122.810 121.946 0.864 1
1 68 . 3 1 1 A 9 9 ASP H H 6 9.145 8.685 0.460 1
1 69 . 3 1 1 A 9 9 ASP HA H 6 5.999 5.532 0.467 1
1 72 . 3 1 1 A 9 9 ASP CA C 6 51.759 53.262 -1.503 1
1 73 . 3 1 1 A 9 9 ASP CB C 6 44.757 45.372 -0.615 1
1 74 . 3 1 1 A 9 9 ASP N N 6 124.570 124.286 0.284 1
1 75 . 3 1 1 A 10 10 PHE H H 7 9.884 9.169 0.715 1
1 76 . 3 1 1 A 10 10 PHE HA H 7 5.231 5.230 0.001 1
1 83 . 3 1 1 A 10 10 PHE CA C 7 55.321 56.911 -1.590 1
1 84 . 3 1 1 A 10 10 PHE CB C 7 42.863 43.046 -0.183 1
1 88 . 3 1 1 A 10 10 PHE N N 7 123.156 120.920 2.236 1
1 89 . 3 1 1 A 11 11 ASP H H 8 8.986 8.725 0.261 1
1 90 . 3 1 1 A 11 11 ASP HA H 8 4.924 4.926 -0.002 1
1 93 . 3 1 1 A 11 11 ASP CA C 8 55.122 54.708 0.414 1
1 94 . 3 1 1 A 11 11 ASP CB C 8 44.453 42.769 1.684 1
1 95 . 3 1 1 A 11 11 ASP N N 8 123.103 124.497 -1.394 1
1 96 . 3 1 1 A 12 12 GLU H H 9 9.685 8.982 0.703 1
1 97 . 3 1 1 A 12 12 GLU HA H 9 3.984 4.081 -0.097 1
1 102 . 3 1 1 A 12 12 GLU CA C 9 60.974 59.506 1.468 1
1 103 . 3 1 1 A 12 12 GLU CB C 9 31.222 29.448 1.774 1
1 105 . 3 1 1 A 12 12 GLU N N 9 128.730 125.522 3.208 1
1 106 . 3 1 1 A 13 13 ARG H H 10 9.626 8.037 1.589 1
1 107 . 3 1 1 A 13 13 ARG HA H 10 4.063 4.052 0.011 1
1 114 . 3 1 1 A 13 13 ARG CA C 10 59.013 58.855 0.158 1
1 115 . 3 1 1 A 13 13 ARG CB C 10 30.124 30.553 -0.429 1
1 118 . 3 1 1 A 13 13 ARG N N 10 117.930 118.777 -0.847 1
1 119 . 3 1 1 A 14 14 ALA H H 11 7.268 8.594 -1.326 1
1 120 . 3 1 1 A 14 14 ALA HA H 11 5.323 4.184 1.139 1
1 124 . 3 1 1 A 14 14 ALA CA C 11 53.013 55.084 -2.071 1
1 125 . 3 1 1 A 14 14 ALA CB C 11 18.072 18.821 -0.749 1
1 126 . 3 1 1 A 14 14 ALA N N 11 122.063 122.458 -0.395 1
1 127 . 3 1 1 A 15 15 LEU H H 12 8.773 8.149 0.624 1
1 128 . 3 1 1 A 15 15 LEU HA H 12 4.318 3.039 1.279 1
1 138 . 3 1 1 A 15 15 LEU CA C 12 57.404 57.706 -0.302 1
1 139 . 3 1 1 A 15 15 LEU CB C 12 41.842 41.431 0.411 1
1 143 . 3 1 1 A 15 15 LEU N N 12 121.956 118.795 3.161 1
1 144 . 3 1 1 A 16 16 LYS H H 13 7.515 7.813 -0.298 1
1 145 . 3 1 1 A 16 16 LYS HA H 13 4.099 3.935 0.164 1
1 154 . 3 1 1 A 16 16 LYS CA C 13 59.837 59.105 0.732 1
1 155 . 3 1 1 A 16 16 LYS CB C 13 32.297 32.189 0.108 1
1 159 . 3 1 1 A 16 16 LYS N N 13 118.250 117.429 0.821 1
1 160 . 3 1 1 A 17 17 GLU H H 14 7.416 7.782 -0.366 1
1 161 . 3 1 1 A 17 17 GLU HA H 14 3.959 4.064 -0.105 1
1 166 . 3 1 1 A 17 17 GLU CA C 14 59.458 59.126 0.332 1
1 167 . 3 1 1 A 17 17 GLU CB C 14 29.644 29.490 0.154 1
1 169 . 3 1 1 A 17 17 GLU N N 14 118.330 118.993 -0.663 1
1 170 . 3 1 1 A 18 18 TRP H H 15 9.095 7.712 1.383 1
1 171 . 3 1 1 A 18 18 TRP HA H 15 4.013 4.558 -0.545 1
1 178 . 3 1 1 A 18 18 TRP CA C 15 60.476 59.325 1.151 1
1 179 . 3 1 1 A 18 18 TRP CB C 15 29.644 28.430 1.214 1
1 182 . 3 1 1 A 18 18 TRP N N 15 121.770 119.026 2.744 1
1 183 . 3 1 1 A 19 19 ARG H H 16 8.060 7.252 0.808 1
1 184 . 3 1 1 A 19 19 ARG HA H 16 4.030 4.217 -0.187 1
1 191 . 3 1 1 A 19 19 ARG CA C 16 57.993 58.346 -0.353 1
1 192 . 3 1 1 A 19 19 ARG CB C 16 29.948 30.180 -0.232 1
1 195 . 3 1 1 A 19 19 ARG N N 16 113.396 121.369 -7.973 1
1 196 . 3 1 1 A 20 20 LYS H H 17 7.274 7.589 -0.315 1
1 197 . 3 1 1 A 20 20 LYS HA H 17 4.311 4.291 0.020 1
1 206 . 3 1 1 A 20 20 LYS CA C 17 57.183 58.098 -0.915 1
1 207 . 3 1 1 A 20 20 LYS CB C 17 32.106 32.849 -0.743 1
1 211 . 3 1 1 A 20 20 LYS N N 17 116.232 115.193 1.039 1
1 212 . 3 1 1 A 21 21 LEU H H 18 7.359 7.426 -0.067 1
1 213 . 3 1 1 A 21 21 LEU HA H 18 4.074 4.692 -0.618 1
1 223 . 3 1 1 A 21 21 LEU CA C 18 54.367 53.112 1.255 1
1 224 . 3 1 1 A 21 21 LEU CB C 18 43.185 44.626 -1.441 1
1 228 . 3 1 1 A 21 21 LEU N N 18 119.903 117.139 2.764 1
1 229 . 3 1 1 A 22 22 GLY H H 19 8.455 8.338 0.117 1
1 230 . 3 1 1 A 22 22 GLY HA2 H 19 4.103 4.023 0.080 1
1 231 . 3 1 1 A 22 22 GLY HA3 H 19 3.888 4.066 -0.178 1
1 232 . 3 1 1 A 22 22 GLY CA C 19 44.739 45.709 -0.970 1
1 233 . 3 1 1 A 22 22 GLY N N 19 108.063 107.342 0.721 1
1 234 . 3 1 1 A 23 23 SER H H 20 8.711 8.737 -0.026 1
1 235 . 3 1 1 A 23 23 SER HA H 20 4.422 4.112 0.310 1
1 238 . 3 1 1 A 23 23 SER CA C 20 58.325 62.628 -4.303 1
1 239 . 3 1 1 A 23 23 SER CB C 20 63.754 62.893 0.861 1
1 240 . 3 1 1 A 23 23 SER N N 20 117.509 118.637 -1.128 1
1 241 . 3 1 1 A 24 24 THR H H 21 8.273 7.925 0.348 1
1 242 . 3 1 1 A 24 24 THR HA H 21 4.026 3.949 0.077 1
1 247 . 3 1 1 A 24 24 THR CA C 21 65.605 66.293 -0.688 1
1 248 . 3 1 1 A 24 24 THR CB C 21 68.013 68.184 -0.171 1
1 250 . 3 1 1 A 24 24 THR N N 21 116.047 117.606 -1.559 1
1 251 . 3 1 1 A 25 25 VAL H H 22 7.075 7.907 -0.832 1
1 252 . 3 1 1 A 25 25 VAL HA H 22 3.507 3.440 0.067 1
1 260 . 3 1 1 A 25 25 VAL CA C 22 65.475 66.871 -1.396 1
1 261 . 3 1 1 A 25 25 VAL CB C 22 31.319 31.132 0.187 1
1 264 . 3 1 1 A 25 25 VAL N N 22 122.543 121.652 0.891 1
1 265 . 3 1 1 A 26 26 ARG H H 23 7.781 8.017 -0.236 1
1 266 . 3 1 1 A 26 26 ARG HA H 23 3.116 4.013 -0.897 1
1 273 . 3 1 1 A 26 26 ARG CA C 23 60.215 58.587 1.628 1
1 274 . 3 1 1 A 26 26 ARG CB C 23 30.555 29.889 0.666 1
1 277 . 3 1 1 A 26 26 ARG N N 23 118.490 119.744 -1.254 1
1 278 . 3 1 1 A 27 27 GLU H H 24 8.107 7.997 0.110 1
1 279 . 3 1 1 A 27 27 GLU HA H 24 4.031 4.110 -0.079 1
1 284 . 3 1 1 A 27 27 GLU CA C 24 59.421 59.036 0.385 1
1 285 . 3 1 1 A 27 27 GLU CB C 24 29.126 29.139 -0.013 1
1 287 . 3 1 1 A 27 27 GLU N N 24 116.756 118.934 -2.178 1
1 288 . 3 1 1 A 28 28 GLN H H 25 7.760 7.710 0.050 1
1 289 . 3 1 1 A 28 28 GLN HA H 25 4.097 4.026 0.071 1
1 296 . 3 1 1 A 28 28 GLN CA C 25 59.055 58.604 0.451 1
1 297 . 3 1 1 A 28 28 GLN CB C 25 29.925 28.276 1.649 1
1 299 . 3 1 1 A 28 28 GLN N N 25 118.410 119.866 -1.456 1
1 301 . 3 1 1 A 29 29 LEU H H 26 8.631 8.019 0.612 1
1 302 . 3 1 1 A 29 29 LEU HA H 26 4.145 3.993 0.152 1
1 312 . 3 1 1 A 29 29 LEU CA C 26 57.929 57.976 -0.047 1
1 313 . 3 1 1 A 29 29 LEU CB C 26 42.787 41.323 1.464 1
1 317 . 3 1 1 A 29 29 LEU N N 26 119.716 120.175 -0.459 1
1 318 . 3 1 1 A 30 30 LYS H H 27 9.183 8.091 1.092 1
1 319 . 3 1 1 A 30 30 LYS HA H 27 3.981 3.883 0.098 1
1 328 . 3 1 1 A 30 30 LYS CA C 27 61.364 60.140 1.224 1
1 329 . 3 1 1 A 30 30 LYS CB C 27 32.137 31.959 0.178 1
1 333 . 3 1 1 A 30 30 LYS N N 27 120.836 118.044 2.792 1
1 334 . 3 1 1 A 31 31 LYS H H 28 7.580 7.618 -0.038 1
1 335 . 3 1 1 A 31 31 LYS HA H 28 4.050 4.044 0.006 1
1 344 . 3 1 1 A 31 31 LYS CA C 28 59.586 59.714 -0.128 1
1 345 . 3 1 1 A 31 31 LYS CB C 28 32.373 31.892 0.481 1
1 349 . 3 1 1 A 31 31 LYS N N 28 116.783 119.757 -2.974 1
1 350 . 3 1 1 A 32 32 LYS H H 29 7.300 7.602 -0.302 1
1 351 . 3 1 1 A 32 32 LYS HA H 29 4.090 4.068 0.022 1
1 360 . 3 1 1 A 32 32 LYS CA C 29 57.130 58.683 -1.553 1
1 361 . 3 1 1 A 32 32 LYS N N 29 116.383 118.682 -2.299 1
1 362 . 3 1 1 A 33 33 LEU H H 30 8.722 7.904 0.818 1
1 363 . 3 1 1 A 33 33 LEU HA H 30 3.881 3.858 0.023 1
1 373 . 3 1 1 A 33 33 LEU CA C 30 57.634 57.872 -0.238 1
1 374 . 3 1 1 A 33 33 LEU CB C 30 42.116 41.723 0.393 1
1 378 . 3 1 1 A 33 33 LEU N N 30 121.770 120.637 1.133 1
1 379 . 3 1 1 A 34 34 VAL H H 31 8.067 7.939 0.128 1
1 380 . 3 1 1 A 34 34 VAL HA H 31 3.479 3.741 -0.262 1
1 388 . 3 1 1 A 34 34 VAL CA C 31 66.847 65.090 1.757 1
1 389 . 3 1 1 A 34 34 VAL CB C 31 31.860 31.072 0.788 1
1 392 . 3 1 1 A 34 34 VAL N N 31 118.116 119.646 -1.530 1
1 393 . 3 1 1 A 35 35 GLU H H 32 6.825 8.325 -1.500 1
1 394 . 3 1 1 A 35 35 GLU HA H 32 4.090 4.142 -0.052 1
1 399 . 3 1 1 A 35 35 GLU CA C 32 58.624 58.565 0.059 1
1 400 . 3 1 1 A 35 35 GLU CB C 32 29.746 28.525 1.221 1
1 402 . 3 1 1 A 35 35 GLU N N 32 116.570 120.108 -3.538 1
1 403 . 3 1 1 A 36 36 VAL H H 33 7.785 7.325 0.460 1
1 404 . 3 1 1 A 36 36 VAL HA H 33 3.484 3.886 -0.402 1
1 412 . 3 1 1 A 36 36 VAL CA C 33 65.213 65.741 -0.528 1
1 413 . 3 1 1 A 36 36 VAL CB C 33 31.932 31.293 0.639 1
1 416 . 3 1 1 A 36 36 VAL N N 33 120.618 118.492 2.126 1
1 417 . 3 1 1 A 37 37 LEU H H 34 7.956 7.659 0.297 1
1 418 . 3 1 1 A 37 37 LEU HA H 34 3.747 4.084 -0.337 1
1 428 . 3 1 1 A 37 37 LEU CA C 34 57.069 56.573 0.496 1
1 429 . 3 1 1 A 37 37 LEU CB C 34 40.916 41.532 -0.616 1
1 433 . 3 1 1 A 37 37 LEU N N 34 115.476 121.880 -6.404 1
1 434 . 3 1 1 A 38 38 GLU H H 35 7.042 7.881 -0.839 1
1 435 . 3 1 1 A 38 38 GLU HA H 35 4.395 4.223 0.172 1
1 440 . 3 1 1 A 38 38 GLU CA C 35 57.553 58.199 -0.646 1
1 441 . 3 1 1 A 38 38 GLU CB C 35 30.234 31.075 -0.841 1
1 443 . 3 1 1 A 38 38 GLU N N 35 114.356 120.070 -5.714 1
1 444 . 3 1 1 A 39 39 SER H H 36 7.125 7.228 -0.103 1
1 445 . 3 1 1 A 39 39 SER HA H 36 4.593 4.709 -0.116 1
1 448 . 3 1 1 A 39 39 SER CA C 36 55.308 55.494 -0.186 1
1 449 . 3 1 1 A 39 39 SER CB C 36 62.305 64.269 -1.964 1
1 450 . 3 1 1 A 39 39 SER N N 36 109.796 113.221 -3.425 1
1 451 . 3 1 1 A 40 40 PRO HA H 37 4.360 4.560 -0.200 1
1 458 . 3 1 1 A 40 40 PRO CA C 37 64.802 63.301 1.501 1
1 459 . 3 1 1 A 40 40 PRO CB C 37 32.562 32.399 0.163 1
1 462 . 3 1 1 A 41 41 ARG H H 38 8.356 8.073 0.283 1
1 463 . 3 1 1 A 41 41 ARG HA H 38 3.271 4.163 -0.892 1
1 470 . 3 1 1 A 41 41 ARG CA C 38 56.364 54.993 1.371 1
1 471 . 3 1 1 A 41 41 ARG CB C 38 29.580 29.028 0.552 1
1 474 . 3 1 1 A 41 41 ARG N N 38 120.882 120.160 0.722 1
1 475 . 3 1 1 A 42 42 ILE H H 39 5.973 7.388 -1.415 1
1 476 . 3 1 1 A 42 42 ILE HA H 39 4.216 4.363 -0.147 1
1 486 . 3 1 1 A 42 42 ILE CA C 39 60.301 60.384 -0.083 1
1 487 . 3 1 1 A 42 42 ILE CB C 39 38.705 37.667 1.038 1
1 491 . 3 1 1 A 42 42 ILE N N 39 127.866 126.146 1.720 1
1 492 . 3 1 1 A 43 43 GLU H H 40 8.860 8.659 0.201 1
1 493 . 3 1 1 A 43 43 GLU HA H 40 4.218 4.358 -0.140 1
1 498 . 3 1 1 A 43 43 GLU CA C 40 59.945 58.270 1.675 1
1 499 . 3 1 1 A 43 43 GLU CB C 40 29.040 28.714 0.326 1
1 501 . 3 1 1 A 43 43 GLU N N 40 129.498 125.730 3.768 1
1 502 . 3 1 1 A 44 44 ALA H H 41 8.827 7.576 1.251 1
1 503 . 3 1 1 A 44 44 ALA HA H 41 4.241 4.159 0.082 1
1 507 . 3 1 1 A 44 44 ALA CA C 41 54.035 53.806 0.229 1
1 508 . 3 1 1 A 44 44 ALA CB C 41 18.466 18.340 0.126 1
1 509 . 3 1 1 A 44 44 ALA N N 41 119.919 123.529 -3.610 1
1 510 . 3 1 1 A 45 45 ASN H H 42 8.184 8.146 0.038 1
1 511 . 3 1 1 A 45 45 ASN HA H 42 5.082 4.885 0.197 1
1 516 . 3 1 1 A 45 45 ASN CA C 42 51.401 53.128 -1.727 1
1 517 . 3 1 1 A 45 45 ASN CB C 42 38.684 39.942 -1.258 1
1 518 . 3 1 1 A 45 45 ASN N N 42 114.675 114.778 -0.103 1
1 520 . 3 1 1 A 46 46 LYS H H 43 7.515 7.480 0.035 1
1 521 . 3 1 1 A 46 46 LYS HA H 43 3.741 4.525 -0.784 1
1 530 . 3 1 1 A 46 46 LYS CA C 43 57.354 56.440 0.914 1
1 531 . 3 1 1 A 46 46 LYS CB C 43 32.905 32.642 0.263 1
1 535 . 3 1 1 A 46 46 LYS N N 43 122.167 119.366 2.801 1
1 536 . 3 1 1 A 47 47 LEU H H 44 8.184 8.246 -0.062 1
1 537 . 3 1 1 A 47 47 LEU HA H 44 4.297 4.425 -0.128 1
1 547 . 3 1 1 A 47 47 LEU CA C 44 53.422 54.048 -0.626 1
1 548 . 3 1 1 A 47 47 LEU CB C 44 42.208 42.446 -0.238 1
1 552 . 3 1 1 A 47 47 LEU N N 44 127.544 122.548 4.996 1
1 553 . 3 1 1 A 48 48 ARG H H 45 8.706 8.644 0.062 1
1 554 . 3 1 1 A 48 48 ARG HA H 45 3.918 4.063 -0.145 1
1 561 . 3 1 1 A 48 48 ARG CA C 45 57.765 57.244 0.521 1
1 562 . 3 1 1 A 48 48 ARG CB C 45 29.686 30.096 -0.410 1
1 565 . 3 1 1 A 48 48 ARG N N 45 128.641 124.167 4.474 1
1 566 . 3 1 1 A 49 49 GLY H H 46 8.543 8.381 0.162 1
1 567 . 3 1 1 A 49 49 GLY HA2 H 46 4.129 3.953 0.176 1
1 568 . 3 1 1 A 49 49 GLY HA3 H 46 3.662 3.953 -0.291 1
1 569 . 3 1 1 A 49 49 GLY CA C 46 44.981 44.919 0.062 1
1 570 . 3 1 1 A 49 49 GLY N N 46 110.474 113.994 -3.520 1
1 571 . 3 1 1 A 50 50 MET H H 47 7.404 7.670 -0.266 1
1 572 . 3 1 1 A 50 50 MET HA H 47 5.226 4.749 0.477 1
1 580 . 3 1 1 A 50 50 MET CA C 47 50.824 52.468 -1.644 1
1 581 . 3 1 1 A 50 50 MET CB C 47 33.186 34.617 -1.431 1
1 584 . 3 1 1 A 50 50 MET N N 47 118.742 120.958 -2.216 1
1 585 . 3 1 1 A 51 51 PRO HA H 48 4.344 4.300 0.044 1
1 592 . 3 1 1 A 51 51 PRO CA C 48 63.591 63.736 -0.145 1
1 593 . 3 1 1 A 51 51 PRO CB C 48 31.942 31.913 0.029 1
1 596 . 3 1 1 A 52 52 ASP H H 49 8.703 8.571 0.132 1
1 597 . 3 1 1 A 52 52 ASP HA H 49 4.392 3.778 0.614 1
1 600 . 3 1 1 A 52 52 ASP CA C 49 56.244 55.303 0.941 1
1 601 . 3 1 1 A 52 52 ASP N N 49 116.361 116.232 0.129 1
1 602 . 3 1 1 A 53 53 CYS H H 50 7.456 6.752 0.704 1
1 603 . 3 1 1 A 53 53 CYS HA H 50 5.799 4.878 0.921 1
1 606 . 3 1 1 A 53 53 CYS CA C 50 58.147 56.875 1.272 1
1 607 . 3 1 1 A 53 53 CYS CB C 50 30.953 29.309 1.644 1
1 608 . 3 1 1 A 53 53 CYS N N 50 114.086 116.530 -2.444 1
1 609 . 3 1 1 A 54 54 TYR H H 51 8.939 8.459 0.480 1
1 610 . 3 1 1 A 54 54 TYR HA H 51 4.662 5.023 -0.361 1
1 617 . 3 1 1 A 54 54 TYR CA C 51 56.444 56.111 0.333 1
1 618 . 3 1 1 A 54 54 TYR CB C 51 43.000 43.240 -0.240 1
1 620 . 3 1 1 A 54 54 TYR N N 51 120.722 121.707 -0.985 1
1 621 . 3 1 1 A 55 55 LYS H H 52 8.665 8.961 -0.296 1
1 622 . 3 1 1 A 55 55 LYS HA H 52 5.456 5.514 -0.058 1
1 631 . 3 1 1 A 55 55 LYS CA C 52 53.968 54.516 -0.548 1
1 632 . 3 1 1 A 55 55 LYS CB C 52 36.126 35.059 1.067 1
1 636 . 3 1 1 A 55 55 LYS N N 52 117.297 118.616 -1.319 1
1 637 . 3 1 1 A 56 56 ILE H H 53 9.272 9.145 0.127 1
1 638 . 3 1 1 A 56 56 ILE HA H 53 4.428 4.846 -0.418 1
1 648 . 3 1 1 A 56 56 ILE CA C 53 60.803 59.817 0.986 1
1 649 . 3 1 1 A 56 56 ILE CB C 53 40.849 40.213 0.636 1
1 653 . 3 1 1 A 56 56 ILE N N 53 122.006 126.047 -4.041 1
1 654 . 3 1 1 A 57 57 LYS H H 54 8.745 8.905 -0.160 1
1 655 . 3 1 1 A 57 57 LYS HA H 54 5.093 5.180 -0.087 1
1 664 . 3 1 1 A 57 57 LYS CA C 54 54.227 54.628 -0.401 1
1 665 . 3 1 1 A 57 57 LYS CB C 54 35.595 35.909 -0.314 1
1 669 . 3 1 1 A 57 57 LYS N N 54 125.752 126.450 -0.698 1
1 670 . 3 1 1 A 58 58 LEU H H 55 8.543 9.105 -0.562 1
1 671 . 3 1 1 A 58 58 LEU HA H 55 4.788 4.574 0.214 1
1 681 . 3 1 1 A 58 58 LEU CA C 55 53.151 54.603 -1.452 1
1 682 . 3 1 1 A 58 58 LEU CB C 55 41.238 41.433 -0.195 1
1 686 . 3 1 1 A 58 58 LEU N N 55 124.173 124.682 -0.509 1
1 687 . 3 1 1 A 59 59 ARG HA H 56 4.039 4.038 0.001 1
1 694 . 3 1 1 A 59 59 ARG CA C 56 59.531 60.032 -0.501 1
1 695 . 3 1 1 A 59 59 ARG CB C 56 32.180 30.114 2.066 1
1 698 . 3 1 1 A 60 60 SER HA H 57 4.335 4.500 -0.165 1
1 701 . 3 1 1 A 60 60 SER CA C 57 60.035 59.343 0.692 1
1 702 . 3 1 1 A 60 60 SER CB C 57 62.551 63.605 -1.054 1
1 703 . 3 1 1 A 61 61 SER H H 58 7.605 7.895 -0.290 1
1 704 . 3 1 1 A 61 61 SER HA H 58 4.604 4.750 -0.146 1
1 707 . 3 1 1 A 61 61 SER CA C 58 58.122 59.016 -0.894 1
1 708 . 3 1 1 A 61 61 SER CB C 58 64.520 66.128 -1.608 1
1 709 . 3 1 1 A 61 61 SER N N 58 112.447 112.689 -0.242 1
1 710 . 3 1 1 A 62 62 GLY H H 59 8.214 8.792 -0.578 1
1 711 . 3 1 1 A 62 62 GLY HA2 H 59 4.091 3.907 0.184 1
1 712 . 3 1 1 A 62 62 GLY HA3 H 59 3.824 3.917 -0.093 1
1 713 . 3 1 1 A 62 62 GLY CA C 59 45.562 45.827 -0.265 1
1 714 . 3 1 1 A 62 62 GLY N N 59 108.976 110.674 -1.698 1
1 715 . 3 1 1 A 63 63 TYR H H 60 7.283 8.085 -0.802 1
1 716 . 3 1 1 A 63 63 TYR HA H 60 4.619 4.665 -0.046 1
1 723 . 3 1 1 A 63 63 TYR CA C 60 60.412 57.886 2.526 1
1 724 . 3 1 1 A 63 63 TYR CB C 60 40.339 40.615 -0.276 1
1 727 . 3 1 1 A 63 63 TYR N N 60 117.859 119.739 -1.880 1
1 728 . 3 1 1 A 64 64 ARG H H 61 9.296 9.281 0.015 1
1 729 . 3 1 1 A 64 64 ARG HA H 61 5.634 5.503 0.131 1
1 736 . 3 1 1 A 64 64 ARG CA C 61 54.114 54.063 0.051 1
1 737 . 3 1 1 A 64 64 ARG CB C 61 33.245 34.648 -1.403 1
1 740 . 3 1 1 A 64 64 ARG N N 61 117.912 119.583 -1.671 1
1 741 . 3 1 1 A 65 65 LEU H H 62 9.077 8.896 0.181 1
1 742 . 3 1 1 A 65 65 LEU HA H 62 5.459 5.242 0.217 1
1 752 . 3 1 1 A 65 65 LEU CA C 62 54.114 54.502 -0.388 1
1 753 . 3 1 1 A 65 65 LEU CB C 62 46.977 45.779 1.198 1
1 757 . 3 1 1 A 65 65 LEU N N 62 123.590 122.181 1.409 1
1 758 . 3 1 1 A 66 66 VAL H H 63 8.729 9.181 -0.452 1
1 759 . 3 1 1 A 66 66 VAL HA H 63 5.206 5.105 0.101 1
1 767 . 3 1 1 A 66 66 VAL CA C 63 60.112 60.977 -0.865 1
1 768 . 3 1 1 A 66 66 VAL CB C 63 34.296 32.628 1.668 1
1 771 . 3 1 1 A 66 66 VAL N N 63 123.237 128.053 -4.816 1
1 772 . 3 1 1 A 67 67 TYR H H 64 8.976 8.970 0.006 1
1 773 . 3 1 1 A 67 67 TYR HA H 64 5.745 5.547 0.198 1
1 780 . 3 1 1 A 67 67 TYR CA C 64 53.968 55.221 -1.253 1
1 781 . 3 1 1 A 67 67 TYR CB C 64 42.534 42.075 0.459 1
1 784 . 3 1 1 A 67 67 TYR N N 64 124.227 124.323 -0.096 1
1 785 . 3 1 1 A 68 68 GLN H H 65 9.696 8.904 0.792 1
1 786 . 3 1 1 A 68 68 GLN HA H 65 5.640 5.431 0.209 1
1 793 . 3 1 1 A 68 68 GLN CA C 65 52.933 54.107 -1.174 1
1 794 . 3 1 1 A 68 68 GLN CB C 65 33.585 32.416 1.169 1
1 796 . 3 1 1 A 68 68 GLN N N 65 122.541 120.119 2.422 1
1 798 . 3 1 1 A 69 69 VAL H H 66 9.050 9.089 -0.039 1
1 799 . 3 1 1 A 69 69 VAL HA H 66 4.513 4.484 0.029 1
1 807 . 3 1 1 A 69 69 VAL CA C 66 62.534 62.677 -0.143 1
1 808 . 3 1 1 A 69 69 VAL CB C 66 33.052 31.322 1.730 1
1 811 . 3 1 1 A 69 69 VAL N N 66 127.437 126.661 0.776 1
1 812 . 3 1 1 A 70 70 ILE H H 67 9.385 9.144 0.241 1
1 813 . 3 1 1 A 70 70 ILE HA H 67 4.475 4.473 0.002 1
1 823 . 3 1 1 A 70 70 ILE CA C 67 59.863 60.791 -0.928 1
1 824 . 3 1 1 A 70 70 ILE CB C 67 37.487 37.950 -0.463 1
1 828 . 3 1 1 A 70 70 ILE N N 67 129.296 128.169 1.127 1
1 829 . 3 1 1 A 71 71 ASP H H 68 9.343 9.161 0.182 1
1 830 . 3 1 1 A 71 71 ASP HA H 68 4.595 4.601 -0.006 1
1 833 . 3 1 1 A 71 71 ASP CA C 68 58.841 56.900 1.941 1
1 834 . 3 1 1 A 71 71 ASP CB C 68 40.637 40.826 -0.189 1
1 835 . 3 1 1 A 71 71 ASP N N 68 128.749 129.139 -0.390 1
1 836 . 3 1 1 A 72 72 GLU H H 69 9.718 8.923 0.795 1
1 837 . 3 1 1 A 72 72 GLU HA H 69 4.124 4.071 0.053 1
1 842 . 3 1 1 A 72 72 GLU CA C 69 59.335 59.234 0.101 1
1 843 . 3 1 1 A 72 72 GLU CB C 69 29.131 29.064 0.067 1
1 845 . 3 1 1 A 72 72 GLU N N 69 118.929 117.239 1.690 1
1 846 . 3 1 1 A 73 73 LYS H H 70 6.653 7.748 -1.095 1
1 847 . 3 1 1 A 73 73 LYS HA H 70 4.517 4.406 0.111 1
1 856 . 3 1 1 A 73 73 LYS CA C 70 54.587 56.049 -1.462 1
1 857 . 3 1 1 A 73 73 LYS CB C 70 33.843 33.466 0.377 1
1 861 . 3 1 1 A 73 73 LYS N N 70 114.113 117.294 -3.181 1
1 862 . 3 1 1 A 74 74 VAL H H 71 7.832 7.604 0.228 1
1 863 . 3 1 1 A 74 74 VAL HA H 71 3.012 3.656 -0.644 1
1 871 . 3 1 1 A 74 74 VAL CA C 71 63.090 63.324 -0.234 1
1 872 . 3 1 1 A 74 74 VAL CB C 71 29.226 29.071 0.155 1
1 875 . 3 1 1 A 74 74 VAL N N 71 119.223 116.451 2.772 1
1 876 . 3 1 1 A 75 75 VAL H H 72 7.732 7.738 -0.006 1
1 877 . 3 1 1 A 75 75 VAL HA H 72 4.950 5.247 -0.297 1
1 885 . 3 1 1 A 75 75 VAL CA C 72 60.455 59.448 1.007 1
1 886 . 3 1 1 A 75 75 VAL CB C 72 37.925 36.119 1.806 1
1 889 . 3 1 1 A 75 75 VAL N N 72 117.190 116.367 0.823 1
1 890 . 3 1 1 A 76 76 VAL H H 73 9.026 8.846 0.180 1
1 891 . 3 1 1 A 76 76 VAL HA H 73 4.349 4.562 -0.213 1
1 899 . 3 1 1 A 76 76 VAL CA C 73 62.527 61.993 0.534 1
1 900 . 3 1 1 A 76 76 VAL CB C 73 32.882 31.332 1.550 1
1 903 . 3 1 1 A 76 76 VAL N N 73 128.347 124.147 4.200 1
1 904 . 3 1 1 A 77 77 PHE H H 74 9.629 9.195 0.434 1
1 905 . 3 1 1 A 77 77 PHE HA H 74 5.898 4.800 1.098 1
1 913 . 3 1 1 A 77 77 PHE CA C 74 51.863 56.132 -4.269 1
1 914 . 3 1 1 A 77 77 PHE CB C 74 40.214 39.489 0.725 1
1 918 . 3 1 1 A 77 77 PHE N N 74 128.802 129.243 -0.441 1
1 919 . 3 1 1 A 78 78 VAL H H 75 9.535 8.704 0.831 1
1 920 . 3 1 1 A 78 78 VAL HA H 75 3.712 3.937 -0.225 1
1 928 . 3 1 1 A 78 78 VAL CA C 75 63.939 63.081 0.858 1
1 929 . 3 1 1 A 78 78 VAL CB C 75 31.079 30.640 0.439 1
1 932 . 3 1 1 A 78 78 VAL N N 75 128.588 127.833 0.755 1
1 933 . 3 1 1 A 79 79 ILE H H 76 8.515 8.875 -0.360 1
1 934 . 3 1 1 A 79 79 ILE HA H 76 3.443 3.847 -0.404 1
1 944 . 3 1 1 A 79 79 ILE CA C 76 61.950 62.136 -0.186 1
1 945 . 3 1 1 A 79 79 ILE CB C 76 40.800 38.271 2.529 1
1 949 . 3 1 1 A 79 79 ILE N N 76 126.287 128.691 -2.404 1
1 950 . 3 1 1 A 80 80 SER H H 77 7.180 7.803 -0.623 1
1 951 . 3 1 1 A 80 80 SER HA H 77 4.506 5.195 -0.689 1
1 954 . 3 1 1 A 80 80 SER CA C 77 57.464 57.541 -0.077 1
1 955 . 3 1 1 A 80 80 SER CB C 77 64.912 66.448 -1.536 1
1 956 . 3 1 1 A 80 80 SER N N 77 111.625 116.292 -4.667 1
1 957 . 3 1 1 A 81 81 VAL H H 78 8.641 8.781 -0.140 1
1 958 . 3 1 1 A 81 81 VAL HA H 78 5.066 5.065 0.001 1
1 966 . 3 1 1 A 81 81 VAL CA C 78 60.913 60.741 0.172 1
1 967 . 3 1 1 A 81 81 VAL CB C 78 35.010 35.472 -0.462 1
1 970 . 3 1 1 A 81 81 VAL N N 78 126.742 123.993 2.749 1
1 971 . 3 1 1 A 82 82 GLY H H 79 8.658 8.278 0.380 1
1 972 . 3 1 1 A 82 82 GLY HA2 H 79 4.370 4.201 0.169 1
1 973 . 3 1 1 A 82 82 GLY HA3 H 79 4.160 4.442 -0.282 1
1 974 . 3 1 1 A 82 82 GLY CA C 79 46.036 44.105 1.931 1
1 975 . 3 1 1 A 82 82 GLY N N 79 111.223 112.073 -0.850 1
1 976 . 3 1 1 A 83 83 LYS H H 80 8.569 8.191 0.378 1
1 977 . 3 1 1 A 83 83 LYS HA H 80 4.369 4.638 -0.269 1
1 986 . 3 1 1 A 83 83 LYS CA C 80 54.855 54.463 0.392 1
1 987 . 3 1 1 A 83 83 LYS CB C 80 34.866 34.258 0.608 1
1 991 . 3 1 1 A 83 83 LYS N N 80 121.257 121.219 0.038 1
1 992 . 3 1 1 A 84 84 ALA H H 81 8.334 8.606 -0.272 1
1 993 . 3 1 1 A 84 84 ALA HA H 81 4.274 4.369 -0.095 1
1 997 . 3 1 1 A 84 84 ALA CA C 81 52.003 50.984 1.019 1
1 998 . 3 1 1 A 84 84 ALA CB C 81 19.185 19.988 -0.803 1
1 999 . 3 1 1 A 84 84 ALA N N 81 126.662 126.003 0.659 1
1 1000 . 3 1 1 A 85 85 GLU H H 82 8.638 8.438 0.200 1
1 1001 . 3 1 1 A 85 85 GLU HA H 82 4.214 4.444 -0.230 1
1 1006 . 3 1 1 A 85 85 GLU CA C 82 56.366 56.664 -0.298 1
1 1007 . 3 1 1 A 85 85 GLU CB C 82 30.238 30.179 0.059 1
1 1009 . 3 1 1 A 85 85 GLU N N 82 121.819 119.509 2.310 1
1 1010 . 3 1 1 A 86 86 ALA H H 83 8.462 8.496 -0.034 1
1 1011 . 3 1 1 A 86 86 ALA HA H 83 4.341 4.853 -0.512 1
1 1015 . 3 1 1 A 86 86 ALA CA C 83 52.156 51.225 0.931 1
1 1016 . 3 1 1 A 86 86 ALA CB C 83 19.206 19.992 -0.786 1
1 1017 . 3 1 1 A 86 86 ALA N N 83 125.350 129.640 -4.290 1
1 1018 . 3 1 1 A 87 87 SER H H 84 8.309 9.145 -0.836 1
1 1019 . 3 1 1 A 87 87 SER HA H 84 4.400 4.892 -0.492 1
1 1022 . 3 1 1 A 87 87 SER CA C 84 58.058 59.580 -1.522 1
1 1023 . 3 1 1 A 87 87 SER CB C 84 63.845 64.934 -1.089 1
1 1024 . 3 1 1 A 87 87 SER N N 84 115.397 113.716 1.681 1
1 1025 . 3 1 1 A 88 88 GLU H H 85 8.443 8.688 -0.245 1
1 1026 . 3 1 1 A 88 88 GLU HA H 85 4.318 4.147 0.171 1
1 1031 . 3 1 1 A 88 88 GLU CA C 85 56.465 57.223 -0.758 1
1 1032 . 3 1 1 A 88 88 GLU CB C 85 30.464 31.505 -1.041 1
1 1034 . 3 1 1 A 88 88 GLU N N 85 122.947 118.329 4.618 1
1 1035 . 3 1 1 A 89 89 VAL H H 86 8.098 7.984 0.114 1
1 1036 . 3 1 1 A 89 89 VAL HA H 86 4.044 3.671 0.373 1
1 1044 . 3 1 1 A 89 89 VAL CA C 86 62.293 65.066 -2.773 1
1 1045 . 3 1 1 A 89 89 VAL CB C 86 32.703 31.037 1.666 1
1 1048 . 3 1 1 A 89 89 VAL N N 86 120.884 120.720 0.164 1
1 1049 . 3 1 1 A 90 90 TYR H H 87 8.313 8.082 0.231 1
1 1050 . 3 1 1 A 90 90 TYR HA H 87 4.623 4.456 0.167 1
1 1057 . 3 1 1 A 90 90 TYR CA C 87 57.791 59.409 -1.618 1
1 1058 . 3 1 1 A 90 90 TYR CB C 87 38.795 36.828 1.967 1
1 1061 . 3 1 1 A 90 90 TYR N N 87 124.634 120.734 3.900 1
1 1062 . 3 1 1 A 91 91 SER H H 88 8.140 7.758 0.382 1
1 1063 . 3 1 1 A 91 91 SER HA H 88 4.411 4.393 0.018 1
1 1066 . 3 1 1 A 91 91 SER CA C 88 58.396 60.901 -2.505 1
1 1067 . 3 1 1 A 91 91 SER CB C 88 63.703 63.196 0.507 1
1 1068 . 3 1 1 A 91 91 SER N N 88 118.447 116.183 2.264 1
1 1069 . 3 1 1 A 92 92 GLU H H 89 8.400 7.728 0.672 1
1 1070 . 3 1 1 A 92 92 GLU HA H 89 4.245 4.054 0.191 1
1 1075 . 3 1 1 A 92 92 GLU CA C 89 56.465 58.926 -2.461 1
1 1076 . 3 1 1 A 92 92 GLU CB C 89 29.471 29.506 -0.035 1
1 1078 . 3 1 1 A 92 92 GLU N N 89 122.947 119.382 3.565 1
1 1079 . 3 1 1 A 93 93 ALA H H 90 8.224 7.718 0.506 1
1 1080 . 3 1 1 A 93 93 ALA HA H 90 4.287 4.278 0.009 1
1 1084 . 3 1 1 A 93 93 ALA CA C 90 52.598 52.616 -0.018 1
1 1085 . 3 1 1 A 93 93 ALA CB C 90 18.864 19.277 -0.413 1
1 1086 . 3 1 1 A 93 93 ALA N N 90 124.404 122.578 1.826 1
1 1087 . 3 1 1 A 94 94 VAL H H 91 7.971 8.567 -0.596 1
1 1088 . 3 1 1 A 94 94 VAL HA H 91 4.060 4.308 -0.248 1
1 1096 . 3 1 1 A 94 94 VAL CA C 91 62.072 61.571 0.501 1
1 1097 . 3 1 1 A 94 94 VAL CB C 91 32.601 31.252 1.349 1
1 1100 . 3 1 1 A 94 94 VAL N N 91 119.330 119.231 0.099 1
1 1101 . 3 1 1 A 95 95 LYS H H 92 8.271 8.208 0.063 1
1 1102 . 3 1 1 A 95 95 LYS HA H 92 4.313 4.280 0.033 1
1 1111 . 3 1 1 A 95 95 LYS CA C 92 56.078 57.987 -1.909 1
1 1112 . 3 1 1 A 95 95 LYS CB C 92 32.924 31.864 1.060 1
1 1116 . 3 1 1 A 95 95 LYS N N 92 124.941 123.710 1.231 1
1 1117 . 3 1 1 A 96 96 ARG H H 93 8.317 7.945 0.372 1
1 1118 . 3 1 1 A 96 96 ARG HA H 93 4.360 4.289 0.071 1
1 1125 . 3 1 1 A 96 96 ARG CA C 93 55.901 57.096 -1.195 1
1 1126 . 3 1 1 A 96 96 ARG CB C 93 30.906 30.796 0.110 1
1 1129 . 3 1 1 A 96 96 ARG N N 93 122.918 117.508 5.410 1
1 1130 . 3 1 1 A 97 97 ILE H H 94 8.251 6.901 1.350 1
1 1131 . 3 1 1 A 97 97 ILE HA H 94 4.184 4.720 -0.536 1
1 1141 . 3 1 1 A 97 97 ILE CA C 94 60.946 59.420 1.526 1
1 1142 . 3 1 1 A 97 97 ILE CB C 94 38.298 40.221 -1.923 1
1 1146 . 3 1 1 A 97 97 ILE N N 94 123.301 115.250 8.051 1
1 1191 . 3 2 2 B 5 5 GLN H H 48 8.533 8.111 0.422 1
1 1192 . 3 2 2 B 5 5 GLN HA H 48 4.390 4.346 0.044 1
1 1199 . 3 2 2 B 5 5 GLN C C 48 175.953 175.321 0.632 1
1 1200 . 3 2 2 B 5 5 GLN CA C 48 55.760 55.532 0.228 1
1 1201 . 3 2 2 B 5 5 GLN CB C 48 29.225 27.771 1.454 1
1 1203 . 3 2 2 B 5 5 GLN N N 48 122.121 114.859 7.262 1
1 1205 . 3 2 2 B 6 6 THR H H 49 8.281 7.916 0.365 1
1 1206 . 3 2 2 B 6 6 THR HA H 49 4.316 4.893 -0.577 1
1 1211 . 3 2 2 B 6 6 THR C C 49 174.156 174.845 -0.689 1
1 1212 . 3 2 2 B 6 6 THR CA C 49 61.724 60.905 0.819 1
1 1213 . 3 2 2 B 6 6 THR CB C 49 69.452 69.055 0.397 1
1 1215 . 3 2 2 B 6 6 THR N N 49 116.639 114.048 2.591 1
1 1216 . 3 2 2 B 7 7 LEU H H 50 8.328 8.778 -0.450 1
1 1217 . 3 2 2 B 7 7 LEU HA H 50 4.381 4.475 -0.094 1
1 1227 . 3 2 2 B 7 7 LEU C C 50 176.985 176.186 0.799 1
1 1228 . 3 2 2 B 7 7 LEU CA C 50 55.093 54.533 0.560 1
1 1229 . 3 2 2 B 7 7 LEU CB C 50 42.122 41.750 0.372 1
1 1233 . 3 2 2 B 7 7 LEU N N 50 125.001 127.202 -2.201 1
1 1234 . 3 2 2 B 8 8 LEU H H 51 8.264 7.632 0.632 1
1 1235 . 3 2 2 B 8 8 LEU HA H 51 4.410 5.249 -0.839 1
1 1245 . 3 2 2 B 8 8 LEU C C 51 177.235 175.739 1.496 1
1 1246 . 3 2 2 B 8 8 LEU CA C 51 54.936 52.857 2.079 1
1 1247 . 3 2 2 B 8 8 LEU CB C 51 42.292 46.341 -4.049 1
1 1251 . 3 2 2 B 8 8 LEU N N 51 123.073 116.653 6.420 1
1 1252 . 3 2 2 B 9 9 SER H H 52 8.499 9.147 -0.648 1
1 1253 . 3 2 2 B 9 9 SER HA H 52 4.410 4.770 -0.360 1
1 1256 . 3 2 2 B 9 9 SER C C 52 174.083 173.691 0.392 1
1 1257 . 3 2 2 B 9 9 SER CA C 52 57.757 56.163 1.594 1
1 1258 . 3 2 2 B 9 9 SER CB C 52 63.734 65.563 -1.829 1
1 1259 . 3 2 2 B 9 9 SER N N 52 117.150 114.635 2.515 1
1 1260 . 3 2 2 B 10 10 ASP H H 53 8.416 8.759 -0.343 1
1 1261 . 3 2 2 B 10 10 ASP HA H 53 4.575 4.266 0.309 1
1 1264 . 3 2 2 B 10 10 ASP C C 53 176.911 177.761 -0.850 1
1 1265 . 3 2 2 B 10 10 ASP CA C 53 54.678 57.873 -3.195 1
1 1266 . 3 2 2 B 10 10 ASP CB C 53 40.771 41.059 -0.288 1
1 1267 . 3 2 2 B 10 10 ASP N N 53 122.632 124.671 -2.039 1
1 1268 . 3 2 2 B 11 11 GLU H H 54 8.486 8.465 0.021 1
1 1269 . 3 2 2 B 11 11 GLU HA H 54 4.155 4.048 0.107 1
1 1274 . 3 2 2 B 11 11 GLU C C 54 177.220 178.008 -0.788 1
1 1275 . 3 2 2 B 11 11 GLU CA C 54 58.488 58.864 -0.376 1
1 1276 . 3 2 2 B 11 11 GLU CB C 54 29.615 28.441 1.174 1
1 1278 . 3 2 2 B 11 11 GLU N N 54 121.842 117.167 4.675 1
1 1279 . 3 2 2 B 12 12 ASP H H 55 8.301 8.025 0.276 1
1 1280 . 3 2 2 B 12 12 ASP HA H 55 4.470 4.284 0.186 1
1 1283 . 3 2 2 B 12 12 ASP C C 55 177.161 178.413 -1.252 1
1 1284 . 3 2 2 B 12 12 ASP CA C 55 55.901 57.143 -1.242 1
1 1285 . 3 2 2 B 12 12 ASP CB C 55 40.503 40.088 0.415 1
1 1286 . 3 2 2 B 12 12 ASP N N 55 120.309 120.243 0.066 1
1 1287 . 3 2 2 B 13 13 ALA H H 56 8.114 8.008 0.106 1
1 1288 . 3 2 2 B 13 13 ALA HA H 56 3.986 4.042 -0.056 1
1 1292 . 3 2 2 B 13 13 ALA C C 56 180.446 179.602 0.844 1
1 1293 . 3 2 2 B 13 13 ALA CA C 56 55.422 54.667 0.755 1
1 1294 . 3 2 2 B 13 13 ALA CB C 56 18.001 18.329 -0.328 1
1 1295 . 3 2 2 B 13 13 ALA N N 56 122.864 122.427 0.437 1
1 1296 . 3 2 2 B 14 14 GLU H H 57 8.105 7.569 0.536 1
1 1297 . 3 2 2 B 14 14 GLU HA H 57 4.010 4.151 -0.141 1
1 1302 . 3 2 2 B 14 14 GLU C C 57 178.914 178.999 -0.085 1
1 1303 . 3 2 2 B 14 14 GLU CA C 57 59.175 58.468 0.707 1
1 1304 . 3 2 2 B 14 14 GLU CB C 57 28.904 29.849 -0.945 1
1 1306 . 3 2 2 B 14 14 GLU N N 57 117.931 117.902 0.029 1
1 1307 . 3 2 2 B 15 15 LEU H H 58 7.813 8.164 -0.351 1
1 1308 . 3 2 2 B 15 15 LEU HA H 58 4.062 4.086 -0.024 1
1 1318 . 3 2 2 B 15 15 LEU C C 58 178.634 179.278 -0.644 1
1 1319 . 3 2 2 B 15 15 LEU CA C 58 56.960 57.766 -0.806 1
1 1320 . 3 2 2 B 15 15 LEU CB C 58 41.973 41.351 0.622 1
1 1324 . 3 2 2 B 15 15 LEU N N 58 119.867 119.773 0.094 1
1 1325 . 3 2 2 B 16 16 VAL H H 59 8.491 7.858 0.633 1
1 1326 . 3 2 2 B 16 16 VAL HA H 59 3.365 3.897 -0.532 1
1 1334 . 3 2 2 B 16 16 VAL C C 59 177.147 177.405 -0.258 1
1 1335 . 3 2 2 B 16 16 VAL CA C 59 67.142 65.285 1.857 1
1 1336 . 3 2 2 B 16 16 VAL CB C 59 31.176 31.149 0.027 1
1 1339 . 3 2 2 B 16 16 VAL N N 59 118.357 115.477 2.880 1
1 1340 . 3 2 2 B 17 17 GLU H H 60 7.411 8.253 -0.842 1
1 1341 . 3 2 2 B 17 17 GLU HA H 60 4.015 4.111 -0.096 1
1 1346 . 3 2 2 B 17 17 GLU C C 60 179.636 178.760 0.876 1
1 1347 . 3 2 2 B 17 17 GLU CA C 60 59.203 58.995 0.208 1
1 1348 . 3 2 2 B 17 17 GLU CB C 60 28.970 29.533 -0.563 1
1 1350 . 3 2 2 B 17 17 GLU N N 60 117.103 120.636 -3.533 1
1 1351 . 3 2 2 B 18 18 ILE H H 61 7.574 7.632 -0.058 1
1 1352 . 3 2 2 B 18 18 ILE HA H 61 3.830 3.686 0.144 1
1 1362 . 3 2 2 B 18 18 ILE C C 61 178.001 178.134 -0.133 1
1 1363 . 3 2 2 B 18 18 ILE CA C 61 63.982 65.141 -1.159 1
1 1364 . 3 2 2 B 18 18 ILE CB C 61 38.483 37.790 0.693 1
1 1368 . 3 2 2 B 18 18 ILE N N 61 120.727 121.392 -0.665 1
1 1369 . 3 2 2 B 19 19 VAL H H 62 8.294 8.170 0.124 1
1 1370 . 3 2 2 B 19 19 VAL HA H 62 3.360 3.760 -0.400 1
1 1378 . 3 2 2 B 19 19 VAL C C 62 177.338 177.664 -0.326 1
1 1379 . 3 2 2 B 19 19 VAL CA C 62 66.364 65.414 0.950 1
1 1380 . 3 2 2 B 19 19 VAL CB C 62 31.203 31.340 -0.137 1
1 1383 . 3 2 2 B 19 19 VAL N N 62 119.635 120.958 -1.323 1
1 1384 . 3 2 2 B 20 20 LYS H H 63 8.780 7.729 1.051 1
1 1385 . 3 2 2 B 20 20 LYS HA H 63 3.784 4.052 -0.268 1
1 1394 . 3 2 2 B 20 20 LYS C C 63 179.209 178.883 0.326 1
1 1395 . 3 2 2 B 20 20 LYS CA C 63 60.096 58.809 1.287 1
1 1396 . 3 2 2 B 20 20 LYS CB C 63 32.673 31.826 0.847 1
1 1400 . 3 2 2 B 20 20 LYS N N 63 118.009 120.773 -2.764 1
1 1401 . 3 2 2 B 21 21 GLU H H 64 7.567 8.269 -0.702 1
1 1402 . 3 2 2 B 21 21 GLU HA H 64 4.084 4.011 0.073 1
1 1407 . 3 2 2 B 21 21 GLU C C 64 179.592 179.481 0.111 1
1 1408 . 3 2 2 B 21 21 GLU CA C 64 58.728 59.541 -0.813 1
1 1409 . 3 2 2 B 21 21 GLU CB C 64 28.974 29.119 -0.145 1
1 1411 . 3 2 2 B 21 21 GLU N N 64 117.452 119.583 -2.131 1
1 1412 . 3 2 2 B 22 22 ARG H H 65 8.156 7.937 0.219 1
1 1413 . 3 2 2 B 22 22 ARG HA H 65 4.053 4.116 -0.062 1
1 1420 . 3 2 2 B 22 22 ARG C C 65 177.986 178.302 -0.316 1
1 1421 . 3 2 2 B 22 22 ARG CA C 65 61.243 58.482 2.761 1
1 1422 . 3 2 2 B 22 22 ARG CB C 65 29.980 29.943 0.037 1
1 1425 . 3 2 2 B 22 22 ARG N N 65 119.635 119.779 -0.144 1
1 1426 . 3 2 2 B 23 23 LEU H H 66 8.436 8.293 0.143 1
1 1427 . 3 2 2 B 23 23 LEU HA H 66 4.106 4.099 0.007 1
1 1437 . 3 2 2 B 23 23 LEU C C 66 178.620 179.407 -0.787 1
1 1438 . 3 2 2 B 23 23 LEU CA C 66 56.667 56.451 0.216 1
1 1439 . 3 2 2 B 23 23 LEU CB C 66 41.465 41.325 0.140 1
1 1443 . 3 2 2 B 23 23 LEU N N 66 115.686 118.688 -3.002 1
1 1444 . 3 2 2 B 24 24 ARG H H 67 7.404 8.476 -1.072 1
1 1445 . 3 2 2 B 24 24 ARG HA H 67 4.165 4.121 0.043 1
1 1452 . 3 2 2 B 24 24 ARG C C 67 177.147 176.495 0.652 1
1 1453 . 3 2 2 B 24 24 ARG CA C 67 59.004 58.425 0.579 1
1 1454 . 3 2 2 B 24 24 ARG CB C 67 30.472 29.974 0.498 1
1 1457 . 3 2 2 B 24 24 ARG N N 67 118.427 118.093 0.334 1
1 1458 . 3 2 2 B 25 25 ASN H H 68 7.322 8.078 -0.756 1
1 1459 . 3 2 2 B 25 25 ASN HA H 68 5.064 5.240 -0.176 1
1 1464 . 3 2 2 B 25 25 ASN CA C 68 51.014 50.414 0.600 1
1 1465 . 3 2 2 B 25 25 ASN CB C 68 38.696 39.028 -0.332 1
1 1466 . 3 2 2 B 25 25 ASN N N 68 114.083 117.854 -3.771 1
1 1468 . 3 2 2 B 26 26 PRO HA H 69 4.521 4.278 0.243 1
1 1475 . 3 2 2 B 26 26 PRO C C 69 177.323 176.834 0.489 1
1 1476 . 3 2 2 B 26 26 PRO CA C 69 63.698 65.827 -2.129 1
1 1477 . 3 2 2 B 26 26 PRO CB C 69 33.286 31.575 1.711 1
1 1480 . 3 2 2 B 27 27 LYS H H 70 8.672 7.958 0.714 1
1 1481 . 3 2 2 B 27 27 LYS HA H 70 4.980 3.953 1.027 1
1 1490 . 3 2 2 B 27 27 LYS CA C 70 52.767 56.565 -3.798 1
1 1491 . 3 2 2 B 27 27 LYS CB C 70 33.540 30.874 2.666 1
1 1495 . 3 2 2 B 27 27 LYS N N 70 121.210 115.634 5.576 1
1 1496 . 3 2 2 B 28 28 PRO HA H 71 4.467 4.666 -0.199 1
1 1503 . 3 2 2 B 28 28 PRO C C 71 177.235 175.566 1.669 1
1 1504 . 3 2 2 B 28 28 PRO CA C 71 63.859 62.520 1.339 1
1 1505 . 3 2 2 B 28 28 PRO CB C 71 32.632 32.597 0.035 1
1 1508 . 3 2 2 B 29 29 VAL H H 72 9.036 8.490 0.546 1
1 1509 . 3 2 2 B 29 29 VAL HA H 72 4.155 4.520 -0.365 1
1 1517 . 3 2 2 B 29 29 VAL C C 72 174.554 174.974 -0.420 1
1 1518 . 3 2 2 B 29 29 VAL CA C 72 61.506 61.325 0.181 1
1 1519 . 3 2 2 B 29 29 VAL CB C 72 34.764 33.800 0.964 1
1 1522 . 3 2 2 B 29 29 VAL N N 72 124.322 120.781 3.541 1
1 1523 . 3 2 2 B 30 30 ARG H H 73 8.437 8.784 -0.347 1
1 1524 . 3 2 2 B 30 30 ARG HA H 73 5.195 4.434 0.761 1
1 1531 . 3 2 2 B 30 30 ARG C C 73 176.248 175.952 0.296 1
1 1532 . 3 2 2 B 30 30 ARG CA C 73 55.189 56.838 -1.649 1
1 1533 . 3 2 2 B 30 30 ARG CB C 73 27.764 30.739 -2.975 1
1 1536 . 3 2 2 B 30 30 ARG N N 73 129.461 128.745 0.716 1
1 1537 . 3 2 2 B 31 31 VAL H H 74 8.822 8.800 0.022 1
1 1538 . 3 2 2 B 31 31 VAL HA H 74 4.889 5.246 -0.357 1
1 1546 . 3 2 2 B 31 31 VAL C C 74 173.965 173.664 0.301 1
1 1547 . 3 2 2 B 31 31 VAL CA C 74 59.055 59.169 -0.114 1
1 1548 . 3 2 2 B 31 31 VAL CB C 74 35.653 36.639 -0.986 1
1 1551 . 3 2 2 B 31 31 VAL N N 74 123.375 119.538 3.837 1
1 1552 . 3 2 2 B 32 32 THR H H 75 7.855 8.316 -0.461 1
1 1553 . 3 2 2 B 32 32 THR HA H 75 4.730 5.000 -0.270 1
1 1558 . 3 2 2 B 32 32 THR C C 75 175.865 175.253 0.612 1
1 1559 . 3 2 2 B 32 32 THR CA C 75 59.052 59.244 -0.192 1
1 1560 . 3 2 2 B 32 32 THR CB C 75 71.228 71.898 -0.670 1
1 1562 . 3 2 2 B 32 32 THR N N 75 109.507 110.266 -0.759 1
1 1563 . 3 2 2 B 33 33 LEU H H 76 8.841 8.972 -0.131 1
1 1564 . 3 2 2 B 33 33 LEU HA H 76 3.773 4.016 -0.243 1
1 1574 . 3 2 2 B 33 33 LEU C C 76 178.737 178.749 -0.012 1
1 1575 . 3 2 2 B 33 33 LEU CA C 76 57.892 57.594 0.298 1
1 1576 . 3 2 2 B 33 33 LEU CB C 76 41.057 41.586 -0.529 1
1 1580 . 3 2 2 B 33 33 LEU N N 76 121.099 122.184 -1.085 1
1 1581 . 3 2 2 B 34 34 ASP H H 77 7.983 8.232 -0.249 1
1 1582 . 3 2 2 B 34 34 ASP HA H 77 4.431 4.383 0.048 1
1 1585 . 3 2 2 B 34 34 ASP C C 77 177.088 177.669 -0.581 1
1 1586 . 3 2 2 B 34 34 ASP CA C 77 55.837 57.403 -1.566 1
1 1587 . 3 2 2 B 34 34 ASP CB C 77 40.498 41.578 -1.080 1
1 1588 . 3 2 2 B 34 34 ASP N N 77 113.851 119.839 -5.988 1
1 1589 . 3 2 2 B 35 35 GLU H H 78 7.561 7.717 -0.156 1
1 1590 . 3 2 2 B 35 35 GLU HA H 78 4.320 4.275 0.045 1
1 1595 . 3 2 2 B 35 35 GLU C C 78 175.482 176.819 -1.337 1
1 1596 . 3 2 2 B 35 35 GLU CA C 78 55.918 57.562 -1.644 1
1 1597 . 3 2 2 B 35 35 GLU CB C 78 30.767 29.855 0.912 1
1 1599 . 3 2 2 B 35 35 GLU N N 78 117.508 115.762 1.746 1
1 15 . 4 1 1 A 5 5 ALA H H 2 8.098 8.001 0.097 1
1 16 . 4 1 1 A 5 5 ALA HA H 2 4.389 4.146 0.243 1
1 20 . 4 1 1 A 5 5 ALA CA C 2 51.852 54.408 -2.556 1
1 21 . 4 1 1 A 5 5 ALA CB C 2 19.420 19.512 -0.092 1
1 22 . 4 1 1 A 5 5 ALA N N 2 125.572 123.104 2.468 1
1 23 . 4 1 1 A 6 6 TYR H H 3 8.402 7.933 0.469 1
1 24 . 4 1 1 A 6 6 TYR HA H 3 4.236 4.636 -0.400 1
1 31 . 4 1 1 A 6 6 TYR CA C 3 57.802 56.977 0.825 1
1 32 . 4 1 1 A 6 6 TYR CB C 3 39.608 40.306 -0.698 1
1 35 . 4 1 1 A 6 6 TYR N N 3 120.730 115.901 4.829 1
1 36 . 4 1 1 A 7 7 PHE H H 4 8.958 8.969 -0.011 1
1 37 . 4 1 1 A 7 7 PHE HA H 4 4.509 4.847 -0.338 1
1 45 . 4 1 1 A 7 7 PHE CA C 4 57.936 57.842 0.094 1
1 46 . 4 1 1 A 7 7 PHE CB C 4 40.613 40.078 0.535 1
1 50 . 4 1 1 A 7 7 PHE N N 4 118.436 121.839 -3.403 1
1 51 . 4 1 1 A 8 8 LEU H H 5 8.711 8.760 -0.049 1
1 52 . 4 1 1 A 8 8 LEU HA H 5 5.336 5.313 0.023 1
1 62 . 4 1 1 A 8 8 LEU CA C 5 53.391 53.638 -0.247 1
1 63 . 4 1 1 A 8 8 LEU CB C 5 44.716 46.338 -1.622 1
1 67 . 4 1 1 A 8 8 LEU N N 5 122.810 121.720 1.090 1
1 68 . 4 1 1 A 9 9 ASP H H 6 9.145 9.156 -0.011 1
1 69 . 4 1 1 A 9 9 ASP HA H 6 5.999 5.622 0.377 1
1 72 . 4 1 1 A 9 9 ASP CA C 6 51.759 53.094 -1.335 1
1 73 . 4 1 1 A 9 9 ASP CB C 6 44.757 44.825 -0.068 1
1 74 . 4 1 1 A 9 9 ASP N N 6 124.570 125.736 -1.166 1
1 75 . 4 1 1 A 10 10 PHE H H 7 9.884 9.336 0.548 1
1 76 . 4 1 1 A 10 10 PHE HA H 7 5.231 5.284 -0.053 1
1 83 . 4 1 1 A 10 10 PHE CA C 7 55.321 56.780 -1.459 1
1 84 . 4 1 1 A 10 10 PHE CB C 7 42.863 42.361 0.502 1
1 88 . 4 1 1 A 10 10 PHE N N 7 123.156 120.094 3.062 1
1 89 . 4 1 1 A 11 11 ASP H H 8 8.986 8.720 0.266 1
1 90 . 4 1 1 A 11 11 ASP HA H 8 4.924 4.804 0.120 1
1 93 . 4 1 1 A 11 11 ASP CA C 8 55.122 54.912 0.210 1
1 94 . 4 1 1 A 11 11 ASP CB C 8 44.453 43.016 1.437 1
1 95 . 4 1 1 A 11 11 ASP N N 8 123.103 124.894 -1.791 1
1 96 . 4 1 1 A 12 12 GLU H H 9 9.685 8.972 0.713 1
1 97 . 4 1 1 A 12 12 GLU HA H 9 3.984 4.040 -0.056 1
1 102 . 4 1 1 A 12 12 GLU CA C 9 60.974 59.504 1.470 1
1 103 . 4 1 1 A 12 12 GLU CB C 9 31.222 29.330 1.892 1
1 105 . 4 1 1 A 12 12 GLU N N 9 128.730 125.046 3.684 1
1 106 . 4 1 1 A 13 13 ARG H H 10 9.626 8.537 1.089 1
1 107 . 4 1 1 A 13 13 ARG HA H 10 4.063 3.999 0.064 1
1 114 . 4 1 1 A 13 13 ARG CA C 10 59.013 59.183 -0.170 1
1 115 . 4 1 1 A 13 13 ARG CB C 10 30.124 30.146 -0.022 1
1 118 . 4 1 1 A 13 13 ARG N N 10 117.930 119.383 -1.453 1
1 119 . 4 1 1 A 14 14 ALA H H 11 7.268 7.828 -0.560 1
1 120 . 4 1 1 A 14 14 ALA HA H 11 5.323 4.207 1.116 1
1 124 . 4 1 1 A 14 14 ALA CA C 11 53.013 54.675 -1.662 1
1 125 . 4 1 1 A 14 14 ALA CB C 11 18.072 18.476 -0.404 1
1 126 . 4 1 1 A 14 14 ALA N N 11 122.063 122.455 -0.392 1
1 127 . 4 1 1 A 15 15 LEU H H 12 8.773 8.110 0.663 1
1 128 . 4 1 1 A 15 15 LEU HA H 12 4.318 2.941 1.377 1
1 138 . 4 1 1 A 15 15 LEU CA C 12 57.404 57.702 -0.298 1
1 139 . 4 1 1 A 15 15 LEU CB C 12 41.842 41.425 0.417 1
1 143 . 4 1 1 A 15 15 LEU N N 12 121.956 119.423 2.533 1
1 144 . 4 1 1 A 16 16 LYS H H 13 7.515 7.603 -0.088 1
1 145 . 4 1 1 A 16 16 LYS HA H 13 4.099 3.943 0.156 1
1 154 . 4 1 1 A 16 16 LYS CA C 13 59.837 58.818 1.019 1
1 155 . 4 1 1 A 16 16 LYS CB C 13 32.297 32.305 -0.008 1
1 159 . 4 1 1 A 16 16 LYS N N 13 118.250 116.901 1.349 1
1 160 . 4 1 1 A 17 17 GLU H H 14 7.416 7.697 -0.281 1
1 161 . 4 1 1 A 17 17 GLU HA H 14 3.959 4.066 -0.107 1
1 166 . 4 1 1 A 17 17 GLU CA C 14 59.458 59.603 -0.145 1
1 167 . 4 1 1 A 17 17 GLU CB C 14 29.644 29.398 0.246 1
1 169 . 4 1 1 A 17 17 GLU N N 14 118.330 119.550 -1.220 1
1 170 . 4 1 1 A 18 18 TRP H H 15 9.095 7.842 1.253 1
1 171 . 4 1 1 A 18 18 TRP HA H 15 4.013 4.530 -0.517 1
1 178 . 4 1 1 A 18 18 TRP CA C 15 60.476 59.747 0.729 1
1 179 . 4 1 1 A 18 18 TRP CB C 15 29.644 27.768 1.876 1
1 182 . 4 1 1 A 18 18 TRP N N 15 121.770 120.029 1.741 1
1 183 . 4 1 1 A 19 19 ARG H H 16 8.060 7.339 0.721 1
1 184 . 4 1 1 A 19 19 ARG HA H 16 4.030 4.243 -0.213 1
1 191 . 4 1 1 A 19 19 ARG CA C 16 57.993 58.137 -0.144 1
1 192 . 4 1 1 A 19 19 ARG CB C 16 29.948 30.464 -0.516 1
1 195 . 4 1 1 A 19 19 ARG N N 16 113.396 120.828 -7.432 1
1 196 . 4 1 1 A 20 20 LYS H H 17 7.274 7.667 -0.393 1
1 197 . 4 1 1 A 20 20 LYS HA H 17 4.311 4.470 -0.159 1
1 206 . 4 1 1 A 20 20 LYS CA C 17 57.183 57.379 -0.196 1
1 207 . 4 1 1 A 20 20 LYS CB C 17 32.106 32.519 -0.413 1
1 211 . 4 1 1 A 20 20 LYS N N 17 116.232 114.752 1.480 1
1 212 . 4 1 1 A 21 21 LEU H H 18 7.359 7.278 0.081 1
1 213 . 4 1 1 A 21 21 LEU HA H 18 4.074 4.865 -0.791 1
1 223 . 4 1 1 A 21 21 LEU CA C 18 54.367 53.179 1.188 1
1 224 . 4 1 1 A 21 21 LEU CB C 18 43.185 44.672 -1.487 1
1 228 . 4 1 1 A 21 21 LEU N N 18 119.903 116.783 3.120 1
1 229 . 4 1 1 A 22 22 GLY H H 19 8.455 8.463 -0.008 1
1 230 . 4 1 1 A 22 22 GLY HA2 H 19 4.103 4.031 0.072 1
1 231 . 4 1 1 A 22 22 GLY HA3 H 19 3.888 4.085 -0.197 1
1 232 . 4 1 1 A 22 22 GLY CA C 19 44.739 45.674 -0.935 1
1 233 . 4 1 1 A 22 22 GLY N N 19 108.063 107.258 0.805 1
1 234 . 4 1 1 A 23 23 SER H H 20 8.711 8.890 -0.179 1
1 235 . 4 1 1 A 23 23 SER HA H 20 4.422 4.186 0.236 1
1 238 . 4 1 1 A 23 23 SER CA C 20 58.325 61.059 -2.734 1
1 239 . 4 1 1 A 23 23 SER CB C 20 63.754 62.675 1.079 1
1 240 . 4 1 1 A 23 23 SER N N 20 117.509 118.702 -1.193 1
1 241 . 4 1 1 A 24 24 THR H H 21 8.273 7.876 0.397 1
1 242 . 4 1 1 A 24 24 THR HA H 21 4.026 3.997 0.029 1
1 247 . 4 1 1 A 24 24 THR CA C 21 65.605 66.321 -0.716 1
1 248 . 4 1 1 A 24 24 THR CB C 21 68.013 68.278 -0.265 1
1 250 . 4 1 1 A 24 24 THR N N 21 116.047 117.700 -1.653 1
1 251 . 4 1 1 A 25 25 VAL H H 22 7.075 7.966 -0.891 1
1 252 . 4 1 1 A 25 25 VAL HA H 22 3.507 3.392 0.115 1
1 260 . 4 1 1 A 25 25 VAL CA C 22 65.475 66.866 -1.391 1
1 261 . 4 1 1 A 25 25 VAL CB C 22 31.319 31.021 0.298 1
1 264 . 4 1 1 A 25 25 VAL N N 22 122.543 121.536 1.007 1
1 265 . 4 1 1 A 26 26 ARG H H 23 7.781 8.329 -0.548 1
1 266 . 4 1 1 A 26 26 ARG HA H 23 3.116 3.993 -0.877 1
1 273 . 4 1 1 A 26 26 ARG CA C 23 60.215 58.730 1.485 1
1 274 . 4 1 1 A 26 26 ARG CB C 23 30.555 30.136 0.419 1
1 277 . 4 1 1 A 26 26 ARG N N 23 118.490 119.889 -1.399 1
1 278 . 4 1 1 A 27 27 GLU H H 24 8.107 7.799 0.308 1
1 279 . 4 1 1 A 27 27 GLU HA H 24 4.031 4.096 -0.065 1
1 284 . 4 1 1 A 27 27 GLU CA C 24 59.421 59.071 0.350 1
1 285 . 4 1 1 A 27 27 GLU CB C 24 29.126 28.936 0.190 1
1 287 . 4 1 1 A 27 27 GLU N N 24 116.756 118.990 -2.234 1
1 288 . 4 1 1 A 28 28 GLN H H 25 7.760 7.707 0.053 1
1 289 . 4 1 1 A 28 28 GLN HA H 25 4.097 4.010 0.087 1
1 296 . 4 1 1 A 28 28 GLN CA C 25 59.055 58.730 0.325 1
1 297 . 4 1 1 A 28 28 GLN CB C 25 29.925 28.227 1.698 1
1 299 . 4 1 1 A 28 28 GLN N N 25 118.410 119.957 -1.547 1
1 301 . 4 1 1 A 29 29 LEU H H 26 8.631 8.232 0.399 1
1 302 . 4 1 1 A 29 29 LEU HA H 26 4.145 3.992 0.153 1
1 312 . 4 1 1 A 29 29 LEU CA C 26 57.929 58.046 -0.117 1
1 313 . 4 1 1 A 29 29 LEU CB C 26 42.787 41.606 1.181 1
1 317 . 4 1 1 A 29 29 LEU N N 26 119.716 120.405 -0.689 1
1 318 . 4 1 1 A 30 30 LYS H H 27 9.183 7.988 1.195 1
1 319 . 4 1 1 A 30 30 LYS HA H 27 3.981 3.897 0.084 1
1 328 . 4 1 1 A 30 30 LYS CA C 27 61.364 59.852 1.512 1
1 329 . 4 1 1 A 30 30 LYS CB C 27 32.137 31.985 0.152 1
1 333 . 4 1 1 A 30 30 LYS N N 27 120.836 118.355 2.481 1
1 334 . 4 1 1 A 31 31 LYS H H 28 7.580 7.574 0.006 1
1 335 . 4 1 1 A 31 31 LYS HA H 28 4.050 4.119 -0.069 1
1 344 . 4 1 1 A 31 31 LYS CA C 28 59.586 59.279 0.307 1
1 345 . 4 1 1 A 31 31 LYS CB C 28 32.373 32.131 0.242 1
1 349 . 4 1 1 A 31 31 LYS N N 28 116.783 118.990 -2.207 1
1 350 . 4 1 1 A 32 32 LYS H H 29 7.300 7.407 -0.107 1
1 351 . 4 1 1 A 32 32 LYS HA H 29 4.090 4.196 -0.106 1
1 360 . 4 1 1 A 32 32 LYS CA C 29 57.130 57.931 -0.801 1
1 361 . 4 1 1 A 32 32 LYS N N 29 116.383 118.064 -1.681 1
1 362 . 4 1 1 A 33 33 LEU H H 30 8.722 7.412 1.310 1
1 363 . 4 1 1 A 33 33 LEU HA H 30 3.881 4.141 -0.260 1
1 373 . 4 1 1 A 33 33 LEU CA C 30 57.634 56.367 1.267 1
1 374 . 4 1 1 A 33 33 LEU CB C 30 42.116 42.226 -0.110 1
1 378 . 4 1 1 A 33 33 LEU N N 30 121.770 117.734 4.036 1
1 379 . 4 1 1 A 34 34 VAL H H 31 8.067 7.808 0.259 1
1 380 . 4 1 1 A 34 34 VAL HA H 31 3.479 3.821 -0.342 1
1 388 . 4 1 1 A 34 34 VAL CA C 31 66.847 64.585 2.262 1
1 389 . 4 1 1 A 34 34 VAL CB C 31 31.860 31.656 0.204 1
1 392 . 4 1 1 A 34 34 VAL N N 31 118.116 118.924 -0.808 1
1 393 . 4 1 1 A 35 35 GLU H H 32 6.825 7.764 -0.939 1
1 394 . 4 1 1 A 35 35 GLU HA H 32 4.090 4.199 -0.109 1
1 399 . 4 1 1 A 35 35 GLU CA C 32 58.624 58.415 0.209 1
1 400 . 4 1 1 A 35 35 GLU CB C 32 29.746 29.737 0.009 1
1 402 . 4 1 1 A 35 35 GLU N N 32 116.570 119.952 -3.382 1
1 403 . 4 1 1 A 36 36 VAL H H 33 7.785 7.801 -0.016 1
1 404 . 4 1 1 A 36 36 VAL HA H 33 3.484 3.717 -0.233 1
1 412 . 4 1 1 A 36 36 VAL CA C 33 65.213 64.803 0.410 1
1 413 . 4 1 1 A 36 36 VAL CB C 33 31.932 31.362 0.570 1
1 416 . 4 1 1 A 36 36 VAL N N 33 120.618 120.475 0.143 1
1 417 . 4 1 1 A 37 37 LEU H H 34 7.956 7.687 0.269 1
1 418 . 4 1 1 A 37 37 LEU HA H 34 3.747 4.151 -0.404 1
1 428 . 4 1 1 A 37 37 LEU CA C 34 57.069 55.912 1.157 1
1 429 . 4 1 1 A 37 37 LEU CB C 34 40.916 41.494 -0.578 1
1 433 . 4 1 1 A 37 37 LEU N N 34 115.476 121.131 -5.655 1
1 434 . 4 1 1 A 38 38 GLU H H 35 7.042 7.888 -0.846 1
1 435 . 4 1 1 A 38 38 GLU HA H 35 4.395 4.255 0.140 1
1 440 . 4 1 1 A 38 38 GLU CA C 35 57.553 58.211 -0.658 1
1 441 . 4 1 1 A 38 38 GLU CB C 35 30.234 31.100 -0.866 1
1 443 . 4 1 1 A 38 38 GLU N N 35 114.356 119.706 -5.350 1
1 444 . 4 1 1 A 39 39 SER H H 36 7.125 7.153 -0.028 1
1 445 . 4 1 1 A 39 39 SER HA H 36 4.593 4.687 -0.094 1
1 448 . 4 1 1 A 39 39 SER CA C 36 55.308 55.833 -0.525 1
1 449 . 4 1 1 A 39 39 SER CB C 36 62.305 64.456 -2.151 1
1 450 . 4 1 1 A 39 39 SER N N 36 109.796 113.283 -3.487 1
1 451 . 4 1 1 A 40 40 PRO HA H 37 4.360 4.468 -0.108 1
1 458 . 4 1 1 A 40 40 PRO CA C 37 64.802 63.617 1.185 1
1 459 . 4 1 1 A 40 40 PRO CB C 37 32.562 32.715 -0.153 1
1 462 . 4 1 1 A 41 41 ARG H H 38 8.356 8.146 0.210 1
1 463 . 4 1 1 A 41 41 ARG HA H 38 3.271 3.715 -0.444 1
1 470 . 4 1 1 A 41 41 ARG CA C 38 56.364 54.785 1.579 1
1 471 . 4 1 1 A 41 41 ARG CB C 38 29.580 28.920 0.660 1
1 474 . 4 1 1 A 41 41 ARG N N 38 120.882 119.858 1.024 1
1 475 . 4 1 1 A 42 42 ILE H H 39 5.973 7.152 -1.179 1
1 476 . 4 1 1 A 42 42 ILE HA H 39 4.216 4.289 -0.073 1
1 486 . 4 1 1 A 42 42 ILE CA C 39 60.301 60.361 -0.060 1
1 487 . 4 1 1 A 42 42 ILE CB C 39 38.705 37.270 1.435 1
1 491 . 4 1 1 A 42 42 ILE N N 39 127.866 125.778 2.088 1
1 492 . 4 1 1 A 43 43 GLU H H 40 8.860 8.859 0.001 1
1 493 . 4 1 1 A 43 43 GLU HA H 40 4.218 4.319 -0.101 1
1 498 . 4 1 1 A 43 43 GLU CA C 40 59.945 58.480 1.465 1
1 499 . 4 1 1 A 43 43 GLU CB C 40 29.040 28.806 0.234 1
1 501 . 4 1 1 A 43 43 GLU N N 40 129.498 126.524 2.974 1
1 502 . 4 1 1 A 44 44 ALA H H 41 8.827 7.572 1.255 1
1 503 . 4 1 1 A 44 44 ALA HA H 41 4.241 4.264 -0.023 1
1 507 . 4 1 1 A 44 44 ALA CA C 41 54.035 53.408 0.627 1
1 508 . 4 1 1 A 44 44 ALA CB C 41 18.466 18.811 -0.345 1
1 509 . 4 1 1 A 44 44 ALA N N 41 119.919 121.904 -1.985 1
1 510 . 4 1 1 A 45 45 ASN H H 42 8.184 8.232 -0.048 1
1 511 . 4 1 1 A 45 45 ASN HA H 42 5.082 5.041 0.041 1
1 516 . 4 1 1 A 45 45 ASN CA C 42 51.401 52.789 -1.388 1
1 517 . 4 1 1 A 45 45 ASN CB C 42 38.684 39.884 -1.200 1
1 518 . 4 1 1 A 45 45 ASN N N 42 114.675 115.938 -1.263 1
1 520 . 4 1 1 A 46 46 LYS H H 43 7.515 7.441 0.074 1
1 521 . 4 1 1 A 46 46 LYS HA H 43 3.741 4.416 -0.675 1
1 530 . 4 1 1 A 46 46 LYS CA C 43 57.354 56.266 1.088 1
1 531 . 4 1 1 A 46 46 LYS CB C 43 32.905 32.881 0.024 1
1 535 . 4 1 1 A 46 46 LYS N N 43 122.167 118.255 3.912 1
1 536 . 4 1 1 A 47 47 LEU H H 44 8.184 8.252 -0.068 1
1 537 . 4 1 1 A 47 47 LEU HA H 44 4.297 4.396 -0.099 1
1 547 . 4 1 1 A 47 47 LEU CA C 44 53.422 54.444 -1.022 1
1 548 . 4 1 1 A 47 47 LEU CB C 44 42.208 42.444 -0.236 1
1 552 . 4 1 1 A 47 47 LEU N N 44 127.544 123.367 4.177 1
1 553 . 4 1 1 A 48 48 ARG H H 45 8.706 8.753 -0.047 1
1 554 . 4 1 1 A 48 48 ARG HA H 45 3.918 4.053 -0.135 1
1 561 . 4 1 1 A 48 48 ARG CA C 45 57.765 58.819 -1.054 1
1 562 . 4 1 1 A 48 48 ARG CB C 45 29.686 30.352 -0.666 1
1 565 . 4 1 1 A 48 48 ARG N N 45 128.641 123.199 5.442 1
1 566 . 4 1 1 A 49 49 GLY H H 46 8.543 7.782 0.761 1
1 567 . 4 1 1 A 49 49 GLY HA2 H 46 4.129 4.051 0.078 1
1 568 . 4 1 1 A 49 49 GLY HA3 H 46 3.662 4.051 -0.389 1
1 569 . 4 1 1 A 49 49 GLY CA C 46 44.981 45.440 -0.459 1
1 570 . 4 1 1 A 49 49 GLY N N 46 110.474 105.834 4.640 1
1 571 . 4 1 1 A 50 50 MET H H 47 7.404 7.560 -0.156 1
1 572 . 4 1 1 A 50 50 MET HA H 47 5.226 4.871 0.355 1
1 580 . 4 1 1 A 50 50 MET CA C 47 50.824 52.242 -1.418 1
1 581 . 4 1 1 A 50 50 MET CB C 47 33.186 33.278 -0.092 1
1 584 . 4 1 1 A 50 50 MET N N 47 118.742 119.382 -0.640 1
1 585 . 4 1 1 A 51 51 PRO HA H 48 4.344 4.294 0.050 1
1 592 . 4 1 1 A 51 51 PRO CA C 48 63.591 64.232 -0.641 1
1 593 . 4 1 1 A 51 51 PRO CB C 48 31.942 31.870 0.072 1
1 596 . 4 1 1 A 52 52 ASP H H 49 8.703 8.151 0.552 1
1 597 . 4 1 1 A 52 52 ASP HA H 49 4.392 4.680 -0.288 1
1 600 . 4 1 1 A 52 52 ASP CA C 49 56.244 54.163 2.081 1
1 601 . 4 1 1 A 52 52 ASP N N 49 116.361 116.641 -0.280 1
1 602 . 4 1 1 A 53 53 CYS H H 50 7.456 6.935 0.521 1
1 603 . 4 1 1 A 53 53 CYS HA H 50 5.799 4.691 1.108 1
1 606 . 4 1 1 A 53 53 CYS CA C 50 58.147 56.564 1.583 1
1 607 . 4 1 1 A 53 53 CYS CB C 50 30.953 30.432 0.521 1
1 608 . 4 1 1 A 53 53 CYS N N 50 114.086 117.601 -3.515 1
1 609 . 4 1 1 A 54 54 TYR H H 51 8.939 8.443 0.496 1
1 610 . 4 1 1 A 54 54 TYR HA H 51 4.662 5.071 -0.409 1
1 617 . 4 1 1 A 54 54 TYR CA C 51 56.444 56.167 0.277 1
1 618 . 4 1 1 A 54 54 TYR CB C 51 43.000 43.146 -0.146 1
1 620 . 4 1 1 A 54 54 TYR N N 51 120.722 123.939 -3.217 1
1 621 . 4 1 1 A 55 55 LYS H H 52 8.665 8.803 -0.138 1
1 622 . 4 1 1 A 55 55 LYS HA H 52 5.456 5.393 0.063 1
1 631 . 4 1 1 A 55 55 LYS CA C 52 53.968 54.412 -0.444 1
1 632 . 4 1 1 A 55 55 LYS CB C 52 36.126 36.307 -0.181 1
1 636 . 4 1 1 A 55 55 LYS N N 52 117.297 117.954 -0.657 1
1 637 . 4 1 1 A 56 56 ILE H H 53 9.272 8.901 0.371 1
1 638 . 4 1 1 A 56 56 ILE HA H 53 4.428 5.017 -0.589 1
1 648 . 4 1 1 A 56 56 ILE CA C 53 60.803 59.546 1.257 1
1 649 . 4 1 1 A 56 56 ILE CB C 53 40.849 41.470 -0.621 1
1 653 . 4 1 1 A 56 56 ILE N N 53 122.006 121.953 0.053 1
1 654 . 4 1 1 A 57 57 LYS H H 54 8.745 8.992 -0.247 1
1 655 . 4 1 1 A 57 57 LYS HA H 54 5.093 5.218 -0.125 1
1 664 . 4 1 1 A 57 57 LYS CA C 54 54.227 54.623 -0.396 1
1 665 . 4 1 1 A 57 57 LYS CB C 54 35.595 36.033 -0.438 1
1 669 . 4 1 1 A 57 57 LYS N N 54 125.752 125.503 0.249 1
1 670 . 4 1 1 A 58 58 LEU H H 55 8.543 8.836 -0.293 1
1 671 . 4 1 1 A 58 58 LEU HA H 55 4.788 4.365 0.423 1
1 681 . 4 1 1 A 58 58 LEU CA C 55 53.151 55.268 -2.117 1
1 682 . 4 1 1 A 58 58 LEU CB C 55 41.238 41.411 -0.173 1
1 686 . 4 1 1 A 58 58 LEU N N 55 124.173 125.179 -1.006 1
1 687 . 4 1 1 A 59 59 ARG HA H 56 4.039 4.347 -0.308 1
1 694 . 4 1 1 A 59 59 ARG CA C 56 59.531 57.694 1.837 1
1 695 . 4 1 1 A 59 59 ARG CB C 56 32.180 30.683 1.497 1
1 698 . 4 1 1 A 60 60 SER HA H 57 4.335 4.426 -0.091 1
1 701 . 4 1 1 A 60 60 SER CA C 57 60.035 60.820 -0.785 1
1 702 . 4 1 1 A 60 60 SER CB C 57 62.551 63.466 -0.915 1
1 703 . 4 1 1 A 61 61 SER H H 58 7.605 7.946 -0.341 1
1 704 . 4 1 1 A 61 61 SER HA H 58 4.604 4.493 0.111 1
1 707 . 4 1 1 A 61 61 SER CA C 58 58.122 59.585 -1.463 1
1 708 . 4 1 1 A 61 61 SER CB C 58 64.520 63.905 0.615 1
1 709 . 4 1 1 A 61 61 SER N N 58 112.447 115.975 -3.528 1
1 710 . 4 1 1 A 62 62 GLY H H 59 8.214 8.698 -0.484 1
1 711 . 4 1 1 A 62 62 GLY HA2 H 59 4.091 3.957 0.134 1
1 712 . 4 1 1 A 62 62 GLY HA3 H 59 3.824 3.984 -0.160 1
1 713 . 4 1 1 A 62 62 GLY CA C 59 45.562 46.401 -0.839 1
1 714 . 4 1 1 A 62 62 GLY N N 59 108.976 109.124 -0.148 1
1 715 . 4 1 1 A 63 63 TYR H H 60 7.283 7.928 -0.645 1
1 716 . 4 1 1 A 63 63 TYR HA H 60 4.619 4.985 -0.366 1
1 723 . 4 1 1 A 63 63 TYR CA C 60 60.412 56.962 3.450 1
1 724 . 4 1 1 A 63 63 TYR CB C 60 40.339 41.744 -1.405 1
1 727 . 4 1 1 A 63 63 TYR N N 60 117.859 118.296 -0.437 1
1 728 . 4 1 1 A 64 64 ARG H H 61 9.296 8.850 0.446 1
1 729 . 4 1 1 A 64 64 ARG HA H 61 5.634 5.244 0.390 1
1 736 . 4 1 1 A 64 64 ARG CA C 61 54.114 54.590 -0.476 1
1 737 . 4 1 1 A 64 64 ARG CB C 61 33.245 33.446 -0.201 1
1 740 . 4 1 1 A 64 64 ARG N N 61 117.912 120.369 -2.457 1
1 741 . 4 1 1 A 65 65 LEU H H 62 9.077 8.737 0.340 1
1 742 . 4 1 1 A 65 65 LEU HA H 62 5.459 5.042 0.417 1
1 752 . 4 1 1 A 65 65 LEU CA C 62 54.114 54.671 -0.557 1
1 753 . 4 1 1 A 65 65 LEU CB C 62 46.977 45.967 1.010 1
1 757 . 4 1 1 A 65 65 LEU N N 62 123.590 122.096 1.494 1
1 758 . 4 1 1 A 66 66 VAL H H 63 8.729 8.857 -0.128 1
1 759 . 4 1 1 A 66 66 VAL HA H 63 5.206 5.006 0.200 1
1 767 . 4 1 1 A 66 66 VAL CA C 63 60.112 60.753 -0.641 1
1 768 . 4 1 1 A 66 66 VAL CB C 63 34.296 34.084 0.212 1
1 771 . 4 1 1 A 66 66 VAL N N 63 123.237 125.605 -2.368 1
1 772 . 4 1 1 A 67 67 TYR H H 64 8.976 8.684 0.292 1
1 773 . 4 1 1 A 67 67 TYR HA H 64 5.745 5.486 0.259 1
1 780 . 4 1 1 A 67 67 TYR CA C 64 53.968 55.065 -1.097 1
1 781 . 4 1 1 A 67 67 TYR CB C 64 42.534 42.081 0.453 1
1 784 . 4 1 1 A 67 67 TYR N N 64 124.227 123.426 0.801 1
1 785 . 4 1 1 A 68 68 GLN H H 65 9.696 8.960 0.736 1
1 786 . 4 1 1 A 68 68 GLN HA H 65 5.640 5.001 0.639 1
1 793 . 4 1 1 A 68 68 GLN CA C 65 52.933 53.940 -1.007 1
1 794 . 4 1 1 A 68 68 GLN CB C 65 33.585 32.131 1.454 1
1 796 . 4 1 1 A 68 68 GLN N N 65 122.541 120.210 2.331 1
1 798 . 4 1 1 A 69 69 VAL H H 66 9.050 9.290 -0.240 1
1 799 . 4 1 1 A 69 69 VAL HA H 66 4.513 4.715 -0.202 1
1 807 . 4 1 1 A 69 69 VAL CA C 66 62.534 62.086 0.448 1
1 808 . 4 1 1 A 69 69 VAL CB C 66 33.052 32.735 0.317 1
1 811 . 4 1 1 A 69 69 VAL N N 66 127.437 126.128 1.309 1
1 812 . 4 1 1 A 70 70 ILE H H 67 9.385 9.004 0.381 1
1 813 . 4 1 1 A 70 70 ILE HA H 67 4.475 4.548 -0.073 1
1 823 . 4 1 1 A 70 70 ILE CA C 67 59.863 60.766 -0.903 1
1 824 . 4 1 1 A 70 70 ILE CB C 67 37.487 38.471 -0.984 1
1 828 . 4 1 1 A 70 70 ILE N N 67 129.296 127.404 1.892 1
1 829 . 4 1 1 A 71 71 ASP H H 68 9.343 9.087 0.256 1
1 830 . 4 1 1 A 71 71 ASP HA H 68 4.595 4.695 -0.100 1
1 833 . 4 1 1 A 71 71 ASP CA C 68 58.841 56.636 2.205 1
1 834 . 4 1 1 A 71 71 ASP CB C 68 40.637 40.216 0.421 1
1 835 . 4 1 1 A 71 71 ASP N N 68 128.749 128.066 0.683 1
1 836 . 4 1 1 A 72 72 GLU H H 69 9.718 9.150 0.568 1
1 837 . 4 1 1 A 72 72 GLU HA H 69 4.124 4.079 0.045 1
1 842 . 4 1 1 A 72 72 GLU CA C 69 59.335 59.097 0.238 1
1 843 . 4 1 1 A 72 72 GLU CB C 69 29.131 28.940 0.191 1
1 845 . 4 1 1 A 72 72 GLU N N 69 118.929 119.013 -0.084 1
1 846 . 4 1 1 A 73 73 LYS H H 70 6.653 7.738 -1.085 1
1 847 . 4 1 1 A 73 73 LYS HA H 70 4.517 4.425 0.092 1
1 856 . 4 1 1 A 73 73 LYS CA C 70 54.587 56.172 -1.585 1
1 857 . 4 1 1 A 73 73 LYS CB C 70 33.843 33.146 0.697 1
1 861 . 4 1 1 A 73 73 LYS N N 70 114.113 117.480 -3.367 1
1 862 . 4 1 1 A 74 74 VAL H H 71 7.832 7.909 -0.077 1
1 863 . 4 1 1 A 74 74 VAL HA H 71 3.012 3.763 -0.751 1
1 871 . 4 1 1 A 74 74 VAL CA C 71 63.090 63.054 0.036 1
1 872 . 4 1 1 A 74 74 VAL CB C 71 29.226 29.652 -0.426 1
1 875 . 4 1 1 A 74 74 VAL N N 71 119.223 116.634 2.589 1
1 876 . 4 1 1 A 75 75 VAL H H 72 7.732 8.048 -0.316 1
1 877 . 4 1 1 A 75 75 VAL HA H 72 4.950 5.040 -0.090 1
1 885 . 4 1 1 A 75 75 VAL CA C 72 60.455 60.562 -0.107 1
1 886 . 4 1 1 A 75 75 VAL CB C 72 37.925 34.979 2.946 1
1 889 . 4 1 1 A 75 75 VAL N N 72 117.190 120.448 -3.258 1
1 890 . 4 1 1 A 76 76 VAL H H 73 9.026 8.611 0.415 1
1 891 . 4 1 1 A 76 76 VAL HA H 73 4.349 4.687 -0.338 1
1 899 . 4 1 1 A 76 76 VAL CA C 73 62.527 61.200 1.327 1
1 900 . 4 1 1 A 76 76 VAL CB C 73 32.882 32.574 0.308 1
1 903 . 4 1 1 A 76 76 VAL N N 73 128.347 126.739 1.608 1
1 904 . 4 1 1 A 77 77 PHE H H 74 9.629 9.170 0.459 1
1 905 . 4 1 1 A 77 77 PHE HA H 74 5.898 5.179 0.719 1
1 913 . 4 1 1 A 77 77 PHE CA C 74 51.863 56.143 -4.280 1
1 914 . 4 1 1 A 77 77 PHE CB C 74 40.214 40.465 -0.251 1
1 918 . 4 1 1 A 77 77 PHE N N 74 128.802 128.645 0.157 1
1 919 . 4 1 1 A 78 78 VAL H H 75 9.535 8.897 0.638 1
1 920 . 4 1 1 A 78 78 VAL HA H 75 3.712 3.882 -0.170 1
1 928 . 4 1 1 A 78 78 VAL CA C 75 63.939 63.412 0.527 1
1 929 . 4 1 1 A 78 78 VAL CB C 75 31.079 31.298 -0.219 1
1 932 . 4 1 1 A 78 78 VAL N N 75 128.588 127.572 1.016 1
1 933 . 4 1 1 A 79 79 ILE H H 76 8.515 9.053 -0.538 1
1 934 . 4 1 1 A 79 79 ILE HA H 76 3.443 3.898 -0.455 1
1 944 . 4 1 1 A 79 79 ILE CA C 76 61.950 62.088 -0.138 1
1 945 . 4 1 1 A 79 79 ILE CB C 76 40.800 38.532 2.268 1
1 949 . 4 1 1 A 79 79 ILE N N 76 126.287 128.067 -1.780 1
1 950 . 4 1 1 A 80 80 SER H H 77 7.180 7.492 -0.312 1
1 951 . 4 1 1 A 80 80 SER HA H 77 4.506 5.169 -0.663 1
1 954 . 4 1 1 A 80 80 SER CA C 77 57.464 57.316 0.148 1
1 955 . 4 1 1 A 80 80 SER CB C 77 64.912 66.453 -1.541 1
1 956 . 4 1 1 A 80 80 SER N N 77 111.625 114.387 -2.762 1
1 957 . 4 1 1 A 81 81 VAL H H 78 8.641 8.733 -0.092 1
1 958 . 4 1 1 A 81 81 VAL HA H 78 5.066 4.966 0.100 1
1 966 . 4 1 1 A 81 81 VAL CA C 78 60.913 60.879 0.034 1
1 967 . 4 1 1 A 81 81 VAL CB C 78 35.010 36.024 -1.014 1
1 970 . 4 1 1 A 81 81 VAL N N 78 126.742 122.719 4.023 1
1 971 . 4 1 1 A 82 82 GLY H H 79 8.658 8.529 0.129 1
1 972 . 4 1 1 A 82 82 GLY HA2 H 79 4.370 4.247 0.123 1
1 973 . 4 1 1 A 82 82 GLY HA3 H 79 4.160 4.433 -0.273 1
1 974 . 4 1 1 A 82 82 GLY CA C 79 46.036 44.318 1.718 1
1 975 . 4 1 1 A 82 82 GLY N N 79 111.223 111.755 -0.532 1
1 976 . 4 1 1 A 83 83 LYS H H 80 8.569 8.380 0.189 1
1 977 . 4 1 1 A 83 83 LYS HA H 80 4.369 4.914 -0.545 1
1 986 . 4 1 1 A 83 83 LYS CA C 80 54.855 54.745 0.110 1
1 987 . 4 1 1 A 83 83 LYS CB C 80 34.866 34.075 0.791 1
1 991 . 4 1 1 A 83 83 LYS N N 80 121.257 120.496 0.761 1
1 992 . 4 1 1 A 84 84 ALA H H 81 8.334 8.899 -0.565 1
1 993 . 4 1 1 A 84 84 ALA HA H 81 4.274 4.704 -0.430 1
1 997 . 4 1 1 A 84 84 ALA CA C 81 52.003 50.444 1.559 1
1 998 . 4 1 1 A 84 84 ALA CB C 81 19.185 21.350 -2.165 1
1 999 . 4 1 1 A 84 84 ALA N N 81 126.662 126.587 0.075 1
1 1000 . 4 1 1 A 85 85 GLU H H 82 8.638 8.345 0.293 1
1 1001 . 4 1 1 A 85 85 GLU HA H 82 4.214 4.299 -0.085 1
1 1006 . 4 1 1 A 85 85 GLU CA C 82 56.366 56.503 -0.137 1
1 1007 . 4 1 1 A 85 85 GLU CB C 82 30.238 29.748 0.490 1
1 1009 . 4 1 1 A 85 85 GLU N N 82 121.819 118.000 3.819 1
1 1010 . 4 1 1 A 86 86 ALA H H 83 8.462 8.433 0.029 1
1 1011 . 4 1 1 A 86 86 ALA HA H 83 4.341 4.817 -0.476 1
1 1015 . 4 1 1 A 86 86 ALA CA C 83 52.156 50.836 1.320 1
1 1016 . 4 1 1 A 86 86 ALA CB C 83 19.206 21.931 -2.725 1
1 1017 . 4 1 1 A 86 86 ALA N N 83 125.350 126.573 -1.223 1
1 1018 . 4 1 1 A 87 87 SER H H 84 8.309 8.846 -0.537 1
1 1019 . 4 1 1 A 87 87 SER HA H 84 4.400 4.131 0.269 1
1 1022 . 4 1 1 A 87 87 SER CA C 84 58.058 61.267 -3.209 1
1 1023 . 4 1 1 A 87 87 SER CB C 84 63.845 61.072 2.773 1
1 1024 . 4 1 1 A 87 87 SER N N 84 115.397 113.845 1.552 1
1 1025 . 4 1 1 A 88 88 GLU H H 85 8.443 8.598 -0.155 1
1 1026 . 4 1 1 A 88 88 GLU HA H 85 4.318 4.541 -0.223 1
1 1031 . 4 1 1 A 88 88 GLU CA C 85 56.465 55.685 0.780 1
1 1032 . 4 1 1 A 88 88 GLU CB C 85 30.464 30.161 0.303 1
1 1034 . 4 1 1 A 88 88 GLU N N 85 122.947 119.002 3.945 1
1 1035 . 4 1 1 A 89 89 VAL H H 86 8.098 7.568 0.530 1
1 1036 . 4 1 1 A 89 89 VAL HA H 86 4.044 3.782 0.262 1
1 1044 . 4 1 1 A 89 89 VAL CA C 86 62.293 64.738 -2.445 1
1 1045 . 4 1 1 A 89 89 VAL CB C 86 32.703 31.475 1.228 1
1 1048 . 4 1 1 A 89 89 VAL N N 86 120.884 120.452 0.432 1
1 1049 . 4 1 1 A 90 90 TYR H H 87 8.313 8.215 0.098 1
1 1050 . 4 1 1 A 90 90 TYR HA H 87 4.623 4.466 0.157 1
1 1057 . 4 1 1 A 90 90 TYR CA C 87 57.791 59.464 -1.673 1
1 1058 . 4 1 1 A 90 90 TYR CB C 87 38.795 37.411 1.384 1
1 1061 . 4 1 1 A 90 90 TYR N N 87 124.634 120.566 4.068 1
1 1062 . 4 1 1 A 91 91 SER H H 88 8.140 7.636 0.504 1
1 1063 . 4 1 1 A 91 91 SER HA H 88 4.411 4.092 0.319 1
1 1066 . 4 1 1 A 91 91 SER CA C 88 58.396 61.176 -2.780 1
1 1067 . 4 1 1 A 91 91 SER CB C 88 63.703 62.987 0.716 1
1 1068 . 4 1 1 A 91 91 SER N N 88 118.447 116.932 1.515 1
1 1069 . 4 1 1 A 92 92 GLU H H 89 8.400 7.681 0.719 1
1 1070 . 4 1 1 A 92 92 GLU HA H 89 4.245 4.053 0.192 1
1 1075 . 4 1 1 A 92 92 GLU CA C 89 56.465 58.938 -2.473 1
1 1076 . 4 1 1 A 92 92 GLU CB C 89 29.471 29.413 0.058 1
1 1078 . 4 1 1 A 92 92 GLU N N 89 122.947 121.264 1.683 1
1 1079 . 4 1 1 A 93 93 ALA H H 90 8.224 7.553 0.671 1
1 1080 . 4 1 1 A 93 93 ALA HA H 90 4.287 4.206 0.081 1
1 1084 . 4 1 1 A 93 93 ALA CA C 90 52.598 53.824 -1.226 1
1 1085 . 4 1 1 A 93 93 ALA CB C 90 18.864 19.135 -0.271 1
1 1086 . 4 1 1 A 93 93 ALA N N 90 124.404 120.493 3.911 1
1 1087 . 4 1 1 A 94 94 VAL H H 91 7.971 7.100 0.871 1
1 1088 . 4 1 1 A 94 94 VAL HA H 91 4.060 4.650 -0.590 1
1 1096 . 4 1 1 A 94 94 VAL CA C 91 62.072 59.348 2.724 1
1 1097 . 4 1 1 A 94 94 VAL CB C 91 32.601 34.650 -2.049 1
1 1100 . 4 1 1 A 94 94 VAL N N 91 119.330 113.844 5.486 1
1 1101 . 4 1 1 A 95 95 LYS H H 92 8.271 8.759 -0.488 1
1 1102 . 4 1 1 A 95 95 LYS HA H 92 4.313 4.372 -0.059 1
1 1111 . 4 1 1 A 95 95 LYS CA C 92 56.078 57.411 -1.333 1
1 1112 . 4 1 1 A 95 95 LYS CB C 92 32.924 33.343 -0.419 1
1 1116 . 4 1 1 A 95 95 LYS N N 92 124.941 118.674 6.267 1
1 1117 . 4 1 1 A 96 96 ARG H H 93 8.317 7.595 0.722 1
1 1118 . 4 1 1 A 96 96 ARG HA H 93 4.360 4.625 -0.265 1
1 1125 . 4 1 1 A 96 96 ARG CA C 93 55.901 55.769 0.132 1
1 1126 . 4 1 1 A 96 96 ARG CB C 93 30.906 32.978 -2.072 1
1 1129 . 4 1 1 A 96 96 ARG N N 93 122.918 119.019 3.899 1
1 1130 . 4 1 1 A 97 97 ILE H H 94 8.251 8.899 -0.648 1
1 1131 . 4 1 1 A 97 97 ILE HA H 94 4.184 4.467 -0.283 1
1 1141 . 4 1 1 A 97 97 ILE CA C 94 60.946 60.754 0.192 1
1 1142 . 4 1 1 A 97 97 ILE CB C 94 38.298 37.281 1.017 1
1 1146 . 4 1 1 A 97 97 ILE N N 94 123.301 123.103 0.198 1
1 1191 . 4 2 2 B 5 5 GLN H H 48 8.533 7.819 0.714 1
1 1192 . 4 2 2 B 5 5 GLN HA H 48 4.390 4.455 -0.065 1
1 1199 . 4 2 2 B 5 5 GLN C C 48 175.953 175.565 0.388 1
1 1200 . 4 2 2 B 5 5 GLN CA C 48 55.760 55.265 0.495 1
1 1201 . 4 2 2 B 5 5 GLN CB C 48 29.225 28.767 0.458 1
1 1203 . 4 2 2 B 5 5 GLN N N 48 122.121 118.005 4.116 1
1 1205 . 4 2 2 B 6 6 THR H H 49 8.281 8.217 0.064 1
1 1206 . 4 2 2 B 6 6 THR HA H 49 4.316 4.451 -0.135 1
1 1211 . 4 2 2 B 6 6 THR C C 49 174.156 175.704 -1.548 1
1 1212 . 4 2 2 B 6 6 THR CA C 49 61.724 62.296 -0.572 1
1 1213 . 4 2 2 B 6 6 THR CB C 49 69.452 69.809 -0.357 1
1 1215 . 4 2 2 B 6 6 THR N N 49 116.639 122.227 -5.588 1
1 1216 . 4 2 2 B 7 7 LEU H H 50 8.328 8.808 -0.480 1
1 1217 . 4 2 2 B 7 7 LEU HA H 50 4.381 4.106 0.275 1
1 1227 . 4 2 2 B 7 7 LEU C C 50 176.985 177.088 -0.103 1
1 1228 . 4 2 2 B 7 7 LEU CA C 50 55.093 56.589 -1.496 1
1 1229 . 4 2 2 B 7 7 LEU CB C 50 42.122 41.901 0.221 1
1 1233 . 4 2 2 B 7 7 LEU N N 50 125.001 124.075 0.926 1
1 1234 . 4 2 2 B 8 8 LEU H H 51 8.264 7.437 0.827 1
1 1235 . 4 2 2 B 8 8 LEU HA H 51 4.410 4.496 -0.086 1
1 1245 . 4 2 2 B 8 8 LEU C C 51 177.235 175.997 1.238 1
1 1246 . 4 2 2 B 8 8 LEU CA C 51 54.936 53.312 1.624 1
1 1247 . 4 2 2 B 8 8 LEU CB C 51 42.292 43.810 -1.518 1
1 1251 . 4 2 2 B 8 8 LEU N N 51 123.073 117.905 5.168 1
1 1252 . 4 2 2 B 9 9 SER H H 52 8.499 9.026 -0.527 1
1 1253 . 4 2 2 B 9 9 SER HA H 52 4.410 4.758 -0.348 1
1 1256 . 4 2 2 B 9 9 SER C C 52 174.083 173.836 0.247 1
1 1257 . 4 2 2 B 9 9 SER CA C 52 57.757 55.960 1.797 1
1 1258 . 4 2 2 B 9 9 SER CB C 52 63.734 65.434 -1.700 1
1 1259 . 4 2 2 B 9 9 SER N N 52 117.150 114.787 2.363 1
1 1260 . 4 2 2 B 10 10 ASP H H 53 8.416 8.736 -0.320 1
1 1261 . 4 2 2 B 10 10 ASP HA H 53 4.575 4.299 0.276 1
1 1264 . 4 2 2 B 10 10 ASP C C 53 176.911 177.822 -0.911 1
1 1265 . 4 2 2 B 10 10 ASP CA C 53 54.678 57.725 -3.047 1
1 1266 . 4 2 2 B 10 10 ASP CB C 53 40.771 40.687 0.084 1
1 1267 . 4 2 2 B 10 10 ASP N N 53 122.632 125.118 -2.486 1
1 1268 . 4 2 2 B 11 11 GLU H H 54 8.486 8.667 -0.181 1
1 1269 . 4 2 2 B 11 11 GLU HA H 54 4.155 4.078 0.077 1
1 1274 . 4 2 2 B 11 11 GLU C C 54 177.220 177.445 -0.225 1
1 1275 . 4 2 2 B 11 11 GLU CA C 54 58.488 58.679 -0.191 1
1 1276 . 4 2 2 B 11 11 GLU CB C 54 29.615 28.462 1.153 1
1 1278 . 4 2 2 B 11 11 GLU N N 54 121.842 117.007 4.835 1
1 1279 . 4 2 2 B 12 12 ASP H H 55 8.301 7.813 0.488 1
1 1280 . 4 2 2 B 12 12 ASP HA H 55 4.470 4.490 -0.020 1
1 1283 . 4 2 2 B 12 12 ASP C C 55 177.161 177.062 0.099 1
1 1284 . 4 2 2 B 12 12 ASP CA C 55 55.901 56.367 -0.466 1
1 1285 . 4 2 2 B 12 12 ASP CB C 55 40.503 40.470 0.033 1
1 1286 . 4 2 2 B 12 12 ASP N N 55 120.309 119.819 0.490 1
1 1287 . 4 2 2 B 13 13 ALA H H 56 8.114 7.666 0.448 1
1 1288 . 4 2 2 B 13 13 ALA HA H 56 3.986 4.143 -0.157 1
1 1292 . 4 2 2 B 13 13 ALA C C 56 180.446 179.025 1.421 1
1 1293 . 4 2 2 B 13 13 ALA CA C 56 55.422 53.250 2.172 1
1 1294 . 4 2 2 B 13 13 ALA CB C 56 18.001 18.956 -0.955 1
1 1295 . 4 2 2 B 13 13 ALA N N 56 122.864 121.390 1.474 1
1 1296 . 4 2 2 B 14 14 GLU H H 57 8.105 7.991 0.114 1
1 1297 . 4 2 2 B 14 14 GLU HA H 57 4.010 4.209 -0.199 1
1 1302 . 4 2 2 B 14 14 GLU C C 57 178.914 178.973 -0.059 1
1 1303 . 4 2 2 B 14 14 GLU CA C 57 59.175 58.414 0.761 1
1 1304 . 4 2 2 B 14 14 GLU CB C 57 28.904 30.064 -1.160 1
1 1306 . 4 2 2 B 14 14 GLU N N 57 117.931 118.118 -0.187 1
1 1307 . 4 2 2 B 15 15 LEU H H 58 7.813 8.217 -0.404 1
1 1308 . 4 2 2 B 15 15 LEU HA H 58 4.062 4.022 0.040 1
1 1318 . 4 2 2 B 15 15 LEU C C 58 178.634 179.297 -0.663 1
1 1319 . 4 2 2 B 15 15 LEU CA C 58 56.960 58.106 -1.146 1
1 1320 . 4 2 2 B 15 15 LEU CB C 58 41.973 41.726 0.247 1
1 1324 . 4 2 2 B 15 15 LEU N N 58 119.867 120.191 -0.324 1
1 1325 . 4 2 2 B 16 16 VAL H H 59 8.491 7.458 1.033 1
1 1326 . 4 2 2 B 16 16 VAL HA H 59 3.365 3.815 -0.450 1
1 1334 . 4 2 2 B 16 16 VAL C C 59 177.147 177.279 -0.132 1
1 1335 . 4 2 2 B 16 16 VAL CA C 59 67.142 65.349 1.793 1
1 1336 . 4 2 2 B 16 16 VAL CB C 59 31.176 31.482 -0.306 1
1 1339 . 4 2 2 B 16 16 VAL N N 59 118.357 115.255 3.102 1
1 1340 . 4 2 2 B 17 17 GLU H H 60 7.411 8.533 -1.122 1
1 1341 . 4 2 2 B 17 17 GLU HA H 60 4.015 4.157 -0.142 1
1 1346 . 4 2 2 B 17 17 GLU C C 60 179.636 178.517 1.119 1
1 1347 . 4 2 2 B 17 17 GLU CA C 60 59.203 58.560 0.643 1
1 1348 . 4 2 2 B 17 17 GLU CB C 60 28.970 28.584 0.386 1
1 1350 . 4 2 2 B 17 17 GLU N N 60 117.103 120.388 -3.285 1
1 1351 . 4 2 2 B 18 18 ILE H H 61 7.574 7.460 0.114 1
1 1352 . 4 2 2 B 18 18 ILE HA H 61 3.830 3.836 -0.006 1
1 1362 . 4 2 2 B 18 18 ILE C C 61 178.001 178.226 -0.225 1
1 1363 . 4 2 2 B 18 18 ILE CA C 61 63.982 64.275 -0.293 1
1 1364 . 4 2 2 B 18 18 ILE CB C 61 38.483 37.871 0.612 1
1 1368 . 4 2 2 B 18 18 ILE N N 61 120.727 121.485 -0.758 1
1 1369 . 4 2 2 B 19 19 VAL H H 62 8.294 8.136 0.158 1
1 1370 . 4 2 2 B 19 19 VAL HA H 62 3.360 3.805 -0.445 1
1 1378 . 4 2 2 B 19 19 VAL C C 62 177.338 177.751 -0.413 1
1 1379 . 4 2 2 B 19 19 VAL CA C 62 66.364 65.390 0.974 1
1 1380 . 4 2 2 B 19 19 VAL CB C 62 31.203 31.403 -0.200 1
1 1383 . 4 2 2 B 19 19 VAL N N 62 119.635 121.024 -1.389 1
1 1384 . 4 2 2 B 20 20 LYS H H 63 8.780 8.149 0.631 1
1 1385 . 4 2 2 B 20 20 LYS HA H 63 3.784 4.020 -0.236 1
1 1394 . 4 2 2 B 20 20 LYS C C 63 179.209 178.657 0.552 1
1 1395 . 4 2 2 B 20 20 LYS CA C 63 60.096 58.726 1.370 1
1 1396 . 4 2 2 B 20 20 LYS CB C 63 32.673 31.423 1.250 1
1 1400 . 4 2 2 B 20 20 LYS N N 63 118.009 120.758 -2.749 1
1 1401 . 4 2 2 B 21 21 GLU H H 64 7.567 8.018 -0.451 1
1 1402 . 4 2 2 B 21 21 GLU HA H 64 4.084 4.041 0.043 1
1 1407 . 4 2 2 B 21 21 GLU C C 64 179.592 179.767 -0.175 1
1 1408 . 4 2 2 B 21 21 GLU CA C 64 58.728 59.217 -0.489 1
1 1409 . 4 2 2 B 21 21 GLU CB C 64 28.974 29.420 -0.446 1
1 1411 . 4 2 2 B 21 21 GLU N N 64 117.452 119.853 -2.401 1
1 1412 . 4 2 2 B 22 22 ARG H H 65 8.156 7.859 0.297 1
1 1413 . 4 2 2 B 22 22 ARG HA H 65 4.053 4.108 -0.054 1
1 1420 . 4 2 2 B 22 22 ARG C C 65 177.986 177.468 0.518 1
1 1421 . 4 2 2 B 22 22 ARG CA C 65 61.243 58.231 3.012 1
1 1422 . 4 2 2 B 22 22 ARG CB C 65 29.980 30.274 -0.294 1
1 1425 . 4 2 2 B 22 22 ARG N N 65 119.635 120.299 -0.664 1
1 1426 . 4 2 2 B 23 23 LEU H H 66 8.436 7.751 0.685 1
1 1427 . 4 2 2 B 23 23 LEU HA H 66 4.106 4.244 -0.138 1
1 1437 . 4 2 2 B 23 23 LEU C C 66 178.620 179.169 -0.549 1
1 1438 . 4 2 2 B 23 23 LEU CA C 66 56.667 55.453 1.214 1
1 1439 . 4 2 2 B 23 23 LEU CB C 66 41.465 41.901 -0.436 1
1 1443 . 4 2 2 B 23 23 LEU N N 66 115.686 116.864 -1.178 1
1 1444 . 4 2 2 B 24 24 ARG H H 67 7.404 8.711 -1.307 1
1 1445 . 4 2 2 B 24 24 ARG HA H 67 4.165 4.166 -0.002 1
1 1452 . 4 2 2 B 24 24 ARG C C 67 177.147 176.270 0.877 1
1 1453 . 4 2 2 B 24 24 ARG CA C 67 59.004 57.776 1.228 1
1 1454 . 4 2 2 B 24 24 ARG CB C 67 30.472 29.384 1.088 1
1 1457 . 4 2 2 B 24 24 ARG N N 67 118.427 118.067 0.360 1
1 1458 . 4 2 2 B 25 25 ASN H H 68 7.322 7.740 -0.418 1
1 1459 . 4 2 2 B 25 25 ASN HA H 68 5.064 5.019 0.045 1
1 1464 . 4 2 2 B 25 25 ASN CA C 68 51.014 50.921 0.093 1
1 1465 . 4 2 2 B 25 25 ASN CB C 68 38.696 38.674 0.022 1
1 1466 . 4 2 2 B 25 25 ASN N N 68 114.083 117.231 -3.148 1
1 1468 . 4 2 2 B 26 26 PRO HA H 69 4.521 4.886 -0.365 1
1 1475 . 4 2 2 B 26 26 PRO C C 69 177.323 175.831 1.492 1
1 1476 . 4 2 2 B 26 26 PRO CA C 69 63.698 62.296 1.402 1
1 1477 . 4 2 2 B 26 26 PRO CB C 69 33.286 32.589 0.697 1
1 1480 . 4 2 2 B 27 27 LYS H H 70 8.672 8.505 0.167 1
1 1481 . 4 2 2 B 27 27 LYS HA H 70 4.980 4.871 0.109 1
1 1490 . 4 2 2 B 27 27 LYS CA C 70 52.767 53.686 -0.919 1
1 1491 . 4 2 2 B 27 27 LYS CB C 70 33.540 33.251 0.289 1
1 1495 . 4 2 2 B 27 27 LYS N N 70 121.210 121.577 -0.367 1
1 1496 . 4 2 2 B 28 28 PRO HA H 71 4.467 4.802 -0.335 1
1 1503 . 4 2 2 B 28 28 PRO C C 71 177.235 175.892 1.343 1
1 1504 . 4 2 2 B 28 28 PRO CA C 71 63.859 62.387 1.472 1
1 1505 . 4 2 2 B 28 28 PRO CB C 71 32.632 31.749 0.883 1
1 1508 . 4 2 2 B 29 29 VAL H H 72 9.036 8.611 0.425 1
1 1509 . 4 2 2 B 29 29 VAL HA H 72 4.155 4.252 -0.097 1
1 1517 . 4 2 2 B 29 29 VAL C C 72 174.554 175.230 -0.676 1
1 1518 . 4 2 2 B 29 29 VAL CA C 72 61.506 61.516 -0.010 1
1 1519 . 4 2 2 B 29 29 VAL CB C 72 34.764 32.573 2.191 1
1 1522 . 4 2 2 B 29 29 VAL N N 72 124.322 124.483 -0.161 1
1 1523 . 4 2 2 B 30 30 ARG H H 73 8.437 8.702 -0.265 1
1 1524 . 4 2 2 B 30 30 ARG HA H 73 5.195 4.632 0.563 1
1 1531 . 4 2 2 B 30 30 ARG C C 73 176.248 176.133 0.115 1
1 1532 . 4 2 2 B 30 30 ARG CA C 73 55.189 56.356 -1.167 1
1 1533 . 4 2 2 B 30 30 ARG CB C 73 27.764 30.623 -2.859 1
1 1536 . 4 2 2 B 30 30 ARG N N 73 129.461 128.126 1.335 1
1 1537 . 4 2 2 B 31 31 VAL H H 74 8.822 8.838 -0.016 1
1 1538 . 4 2 2 B 31 31 VAL HA H 74 4.889 5.082 -0.193 1
1 1546 . 4 2 2 B 31 31 VAL C C 74 173.965 173.836 0.129 1
1 1547 . 4 2 2 B 31 31 VAL CA C 74 59.055 59.079 -0.024 1
1 1548 . 4 2 2 B 31 31 VAL CB C 74 35.653 36.540 -0.887 1
1 1551 . 4 2 2 B 31 31 VAL N N 74 123.375 119.535 3.840 1
1 1552 . 4 2 2 B 32 32 THR H H 75 7.855 8.333 -0.478 1
1 1553 . 4 2 2 B 32 32 THR HA H 75 4.730 4.998 -0.268 1
1 1558 . 4 2 2 B 32 32 THR C C 75 175.865 175.273 0.592 1
1 1559 . 4 2 2 B 32 32 THR CA C 75 59.052 59.254 -0.202 1
1 1560 . 4 2 2 B 32 32 THR CB C 75 71.228 72.065 -0.837 1
1 1562 . 4 2 2 B 32 32 THR N N 75 109.507 111.200 -1.693 1
1 1563 . 4 2 2 B 33 33 LEU H H 76 8.841 8.965 -0.124 1
1 1564 . 4 2 2 B 33 33 LEU HA H 76 3.773 4.023 -0.250 1
1 1574 . 4 2 2 B 33 33 LEU C C 76 178.737 178.679 0.058 1
1 1575 . 4 2 2 B 33 33 LEU CA C 76 57.892 57.573 0.319 1
1 1576 . 4 2 2 B 33 33 LEU CB C 76 41.057 41.483 -0.426 1
1 1580 . 4 2 2 B 33 33 LEU N N 76 121.099 122.022 -0.923 1
1 1581 . 4 2 2 B 34 34 ASP H H 77 7.983 8.192 -0.209 1
1 1582 . 4 2 2 B 34 34 ASP HA H 77 4.431 4.343 0.088 1
1 1585 . 4 2 2 B 34 34 ASP C C 77 177.088 177.973 -0.885 1
1 1586 . 4 2 2 B 34 34 ASP CA C 77 55.837 57.177 -1.340 1
1 1587 . 4 2 2 B 34 34 ASP CB C 77 40.498 40.977 -0.479 1
1 1588 . 4 2 2 B 34 34 ASP N N 77 113.851 119.747 -5.896 1
1 1589 . 4 2 2 B 35 35 GLU H H 78 7.561 7.717 -0.156 1
1 1590 . 4 2 2 B 35 35 GLU HA H 78 4.320 4.293 0.027 1
1 1595 . 4 2 2 B 35 35 GLU C C 78 175.482 176.679 -1.197 1
1 1596 . 4 2 2 B 35 35 GLU CA C 78 55.918 57.046 -1.128 1
1 1597 . 4 2 2 B 35 35 GLU CB C 78 30.767 29.971 0.796 1
1 1599 . 4 2 2 B 35 35 GLU N N 78 117.508 115.727 1.781 1
1 15 . 5 1 1 A 5 5 ALA H H 2 8.098 8.744 -0.646 1
1 16 . 5 1 1 A 5 5 ALA HA H 2 4.389 4.047 0.342 1
1 20 . 5 1 1 A 5 5 ALA CA C 2 51.852 54.206 -2.354 1
1 21 . 5 1 1 A 5 5 ALA CB C 2 19.420 19.746 -0.326 1
1 22 . 5 1 1 A 5 5 ALA N N 2 125.572 125.854 -0.282 1
1 23 . 5 1 1 A 6 6 TYR H H 3 8.402 7.522 0.880 1
1 24 . 5 1 1 A 6 6 TYR HA H 3 4.236 4.788 -0.552 1
1 31 . 5 1 1 A 6 6 TYR CA C 3 57.802 56.146 1.656 1
1 32 . 5 1 1 A 6 6 TYR CB C 3 39.608 40.933 -1.325 1
1 35 . 5 1 1 A 6 6 TYR N N 3 120.730 115.305 5.425 1
1 36 . 5 1 1 A 7 7 PHE H H 4 8.958 8.895 0.063 1
1 37 . 5 1 1 A 7 7 PHE HA H 4 4.509 4.845 -0.336 1
1 45 . 5 1 1 A 7 7 PHE CA C 4 57.936 57.871 0.065 1
1 46 . 5 1 1 A 7 7 PHE CB C 4 40.613 40.099 0.514 1
1 50 . 5 1 1 A 7 7 PHE N N 4 118.436 121.266 -2.830 1
1 51 . 5 1 1 A 8 8 LEU H H 5 8.711 8.785 -0.074 1
1 52 . 5 1 1 A 8 8 LEU HA H 5 5.336 5.192 0.144 1
1 62 . 5 1 1 A 8 8 LEU CA C 5 53.391 53.553 -0.162 1
1 63 . 5 1 1 A 8 8 LEU CB C 5 44.716 46.037 -1.321 1
1 67 . 5 1 1 A 8 8 LEU N N 5 122.810 121.739 1.071 1
1 68 . 5 1 1 A 9 9 ASP H H 6 9.145 9.096 0.049 1
1 69 . 5 1 1 A 9 9 ASP HA H 6 5.999 5.614 0.385 1
1 72 . 5 1 1 A 9 9 ASP CA C 6 51.759 53.066 -1.307 1
1 73 . 5 1 1 A 9 9 ASP CB C 6 44.757 44.667 0.090 1
1 74 . 5 1 1 A 9 9 ASP N N 6 124.570 125.952 -1.382 1
1 75 . 5 1 1 A 10 10 PHE H H 7 9.884 9.292 0.592 1
1 76 . 5 1 1 A 10 10 PHE HA H 7 5.231 5.258 -0.027 1
1 83 . 5 1 1 A 10 10 PHE CA C 7 55.321 57.055 -1.734 1
1 84 . 5 1 1 A 10 10 PHE CB C 7 42.863 43.192 -0.329 1
1 88 . 5 1 1 A 10 10 PHE N N 7 123.156 119.041 4.115 1
1 89 . 5 1 1 A 11 11 ASP H H 8 8.986 8.734 0.252 1
1 90 . 5 1 1 A 11 11 ASP HA H 8 4.924 4.953 -0.029 1
1 93 . 5 1 1 A 11 11 ASP CA C 8 55.122 54.819 0.303 1
1 94 . 5 1 1 A 11 11 ASP CB C 8 44.453 42.760 1.693 1
1 95 . 5 1 1 A 11 11 ASP N N 8 123.103 124.503 -1.400 1
1 96 . 5 1 1 A 12 12 GLU H H 9 9.685 8.960 0.725 1
1 97 . 5 1 1 A 12 12 GLU HA H 9 3.984 4.078 -0.094 1
1 102 . 5 1 1 A 12 12 GLU CA C 9 60.974 59.462 1.512 1
1 103 . 5 1 1 A 12 12 GLU CB C 9 31.222 29.306 1.916 1
1 105 . 5 1 1 A 12 12 GLU N N 9 128.730 125.409 3.321 1
1 106 . 5 1 1 A 13 13 ARG H H 10 9.626 8.339 1.287 1
1 107 . 5 1 1 A 13 13 ARG HA H 10 4.063 4.019 0.044 1
1 114 . 5 1 1 A 13 13 ARG CA C 10 59.013 58.869 0.144 1
1 115 . 5 1 1 A 13 13 ARG CB C 10 30.124 30.148 -0.024 1
1 118 . 5 1 1 A 13 13 ARG N N 10 117.930 119.581 -1.651 1
1 119 . 5 1 1 A 14 14 ALA H H 11 7.268 8.134 -0.866 1
1 120 . 5 1 1 A 14 14 ALA HA H 11 5.323 4.715 0.608 1
1 124 . 5 1 1 A 14 14 ALA CA C 11 53.013 55.120 -2.107 1
1 125 . 5 1 1 A 14 14 ALA CB C 11 18.072 18.643 -0.571 1
1 126 . 5 1 1 A 14 14 ALA N N 11 122.063 122.424 -0.361 1
1 127 . 5 1 1 A 15 15 LEU H H 12 8.773 8.152 0.621 1
1 128 . 5 1 1 A 15 15 LEU HA H 12 4.318 3.174 1.144 1
1 138 . 5 1 1 A 15 15 LEU CA C 12 57.404 57.113 0.291 1
1 139 . 5 1 1 A 15 15 LEU CB C 12 41.842 41.735 0.107 1
1 143 . 5 1 1 A 15 15 LEU N N 12 121.956 120.372 1.584 1
1 144 . 5 1 1 A 16 16 LYS H H 13 7.515 7.661 -0.146 1
1 145 . 5 1 1 A 16 16 LYS HA H 13 4.099 3.915 0.184 1
1 154 . 5 1 1 A 16 16 LYS CA C 13 59.837 58.912 0.925 1
1 155 . 5 1 1 A 16 16 LYS CB C 13 32.297 32.306 -0.009 1
1 159 . 5 1 1 A 16 16 LYS N N 13 118.250 118.692 -0.442 1
1 160 . 5 1 1 A 17 17 GLU H H 14 7.416 7.736 -0.320 1
1 161 . 5 1 1 A 17 17 GLU HA H 14 3.959 4.057 -0.098 1
1 166 . 5 1 1 A 17 17 GLU CA C 14 59.458 58.971 0.487 1
1 167 . 5 1 1 A 17 17 GLU CB C 14 29.644 29.480 0.164 1
1 169 . 5 1 1 A 17 17 GLU N N 14 118.330 118.650 -0.320 1
1 170 . 5 1 1 A 18 18 TRP H H 15 9.095 8.205 0.890 1
1 171 . 5 1 1 A 18 18 TRP HA H 15 4.013 4.517 -0.504 1
1 178 . 5 1 1 A 18 18 TRP CA C 15 60.476 59.841 0.635 1
1 179 . 5 1 1 A 18 18 TRP CB C 15 29.644 27.555 2.089 1
1 182 . 5 1 1 A 18 18 TRP N N 15 121.770 118.735 3.035 1
1 183 . 5 1 1 A 19 19 ARG H H 16 8.060 7.315 0.745 1
1 184 . 5 1 1 A 19 19 ARG HA H 16 4.030 4.191 -0.161 1
1 191 . 5 1 1 A 19 19 ARG CA C 16 57.993 58.944 -0.951 1
1 192 . 5 1 1 A 19 19 ARG CB C 16 29.948 29.604 0.344 1
1 195 . 5 1 1 A 19 19 ARG N N 16 113.396 121.752 -8.356 1
1 196 . 5 1 1 A 20 20 LYS H H 17 7.274 7.765 -0.491 1
1 197 . 5 1 1 A 20 20 LYS HA H 17 4.311 4.337 -0.026 1
1 206 . 5 1 1 A 20 20 LYS CA C 17 57.183 57.990 -0.807 1
1 207 . 5 1 1 A 20 20 LYS CB C 17 32.106 32.442 -0.336 1
1 211 . 5 1 1 A 20 20 LYS N N 17 116.232 115.792 0.440 1
1 212 . 5 1 1 A 21 21 LEU H H 18 7.359 7.259 0.100 1
1 213 . 5 1 1 A 21 21 LEU HA H 18 4.074 4.803 -0.729 1
1 223 . 5 1 1 A 21 21 LEU CA C 18 54.367 53.025 1.342 1
1 224 . 5 1 1 A 21 21 LEU CB C 18 43.185 44.539 -1.354 1
1 228 . 5 1 1 A 21 21 LEU N N 18 119.903 117.092 2.811 1
1 229 . 5 1 1 A 22 22 GLY H H 19 8.455 8.250 0.205 1
1 230 . 5 1 1 A 22 22 GLY HA2 H 19 4.103 4.049 0.054 1
1 231 . 5 1 1 A 22 22 GLY HA3 H 19 3.888 4.083 -0.195 1
1 232 . 5 1 1 A 22 22 GLY CA C 19 44.739 45.621 -0.882 1
1 233 . 5 1 1 A 22 22 GLY N N 19 108.063 107.223 0.840 1
1 234 . 5 1 1 A 23 23 SER H H 20 8.711 8.856 -0.145 1
1 235 . 5 1 1 A 23 23 SER HA H 20 4.422 4.120 0.302 1
1 238 . 5 1 1 A 23 23 SER CA C 20 58.325 62.702 -4.377 1
1 239 . 5 1 1 A 23 23 SER CB C 20 63.754 62.836 0.918 1
1 240 . 5 1 1 A 23 23 SER N N 20 117.509 118.757 -1.248 1
1 241 . 5 1 1 A 24 24 THR H H 21 8.273 7.799 0.474 1
1 242 . 5 1 1 A 24 24 THR HA H 21 4.026 4.064 -0.038 1
1 247 . 5 1 1 A 24 24 THR CA C 21 65.605 66.369 -0.764 1
1 248 . 5 1 1 A 24 24 THR CB C 21 68.013 68.202 -0.189 1
1 250 . 5 1 1 A 24 24 THR N N 21 116.047 118.164 -2.117 1
1 251 . 5 1 1 A 25 25 VAL H H 22 7.075 7.788 -0.713 1
1 252 . 5 1 1 A 25 25 VAL HA H 22 3.507 3.446 0.061 1
1 260 . 5 1 1 A 25 25 VAL CA C 22 65.475 66.787 -1.312 1
1 261 . 5 1 1 A 25 25 VAL CB C 22 31.319 31.105 0.214 1
1 264 . 5 1 1 A 25 25 VAL N N 22 122.543 121.721 0.822 1
1 265 . 5 1 1 A 26 26 ARG H H 23 7.781 7.652 0.129 1
1 266 . 5 1 1 A 26 26 ARG HA H 23 3.116 4.041 -0.925 1
1 273 . 5 1 1 A 26 26 ARG CA C 23 60.215 58.050 2.165 1
1 274 . 5 1 1 A 26 26 ARG CB C 23 30.555 29.457 1.098 1
1 277 . 5 1 1 A 26 26 ARG N N 23 118.490 119.204 -0.714 1
1 278 . 5 1 1 A 27 27 GLU H H 24 8.107 8.181 -0.074 1
1 279 . 5 1 1 A 27 27 GLU HA H 24 4.031 4.068 -0.037 1
1 284 . 5 1 1 A 27 27 GLU CA C 24 59.421 58.955 0.466 1
1 285 . 5 1 1 A 27 27 GLU CB C 24 29.126 29.235 -0.109 1
1 287 . 5 1 1 A 27 27 GLU N N 24 116.756 118.922 -2.166 1
1 288 . 5 1 1 A 28 28 GLN H H 25 7.760 7.748 0.012 1
1 289 . 5 1 1 A 28 28 GLN HA H 25 4.097 3.992 0.105 1
1 296 . 5 1 1 A 28 28 GLN CA C 25 59.055 58.756 0.299 1
1 297 . 5 1 1 A 28 28 GLN CB C 25 29.925 28.127 1.798 1
1 299 . 5 1 1 A 28 28 GLN N N 25 118.410 119.328 -0.918 1
1 301 . 5 1 1 A 29 29 LEU H H 26 8.631 8.232 0.399 1
1 302 . 5 1 1 A 29 29 LEU HA H 26 4.145 3.956 0.189 1
1 312 . 5 1 1 A 29 29 LEU CA C 26 57.929 57.979 -0.050 1
1 313 . 5 1 1 A 29 29 LEU CB C 26 42.787 41.574 1.213 1
1 317 . 5 1 1 A 29 29 LEU N N 26 119.716 120.189 -0.473 1
1 318 . 5 1 1 A 30 30 LYS H H 27 9.183 7.933 1.250 1
1 319 . 5 1 1 A 30 30 LYS HA H 27 3.981 3.982 -0.001 1
1 328 . 5 1 1 A 30 30 LYS CA C 27 61.364 59.490 1.874 1
1 329 . 5 1 1 A 30 30 LYS CB C 27 32.137 31.768 0.369 1
1 333 . 5 1 1 A 30 30 LYS N N 27 120.836 118.002 2.834 1
1 334 . 5 1 1 A 31 31 LYS H H 28 7.580 7.526 0.054 1
1 335 . 5 1 1 A 31 31 LYS HA H 28 4.050 4.135 -0.085 1
1 344 . 5 1 1 A 31 31 LYS CA C 28 59.586 59.371 0.215 1
1 345 . 5 1 1 A 31 31 LYS CB C 28 32.373 32.250 0.123 1
1 349 . 5 1 1 A 31 31 LYS N N 28 116.783 119.044 -2.261 1
1 350 . 5 1 1 A 32 32 LYS H H 29 7.300 7.548 -0.248 1
1 351 . 5 1 1 A 32 32 LYS HA H 29 4.090 4.312 -0.222 1
1 360 . 5 1 1 A 32 32 LYS CA C 29 57.130 58.647 -1.517 1
1 361 . 5 1 1 A 32 32 LYS N N 29 116.383 119.325 -2.942 1
1 362 . 5 1 1 A 33 33 LEU H H 30 8.722 7.901 0.821 1
1 363 . 5 1 1 A 33 33 LEU HA H 30 3.881 3.975 -0.094 1
1 373 . 5 1 1 A 33 33 LEU CA C 30 57.634 57.436 0.198 1
1 374 . 5 1 1 A 33 33 LEU CB C 30 42.116 41.919 0.197 1
1 378 . 5 1 1 A 33 33 LEU N N 30 121.770 120.048 1.722 1
1 379 . 5 1 1 A 34 34 VAL H H 31 8.067 8.024 0.043 1
1 380 . 5 1 1 A 34 34 VAL HA H 31 3.479 3.833 -0.354 1
1 388 . 5 1 1 A 34 34 VAL CA C 31 66.847 64.370 2.477 1
1 389 . 5 1 1 A 34 34 VAL CB C 31 31.860 31.624 0.236 1
1 392 . 5 1 1 A 34 34 VAL N N 31 118.116 118.963 -0.847 1
1 393 . 5 1 1 A 35 35 GLU H H 32 6.825 8.184 -1.359 1
1 394 . 5 1 1 A 35 35 GLU HA H 32 4.090 4.214 -0.124 1
1 399 . 5 1 1 A 35 35 GLU CA C 32 58.624 58.447 0.177 1
1 400 . 5 1 1 A 35 35 GLU CB C 32 29.746 29.933 -0.187 1
1 402 . 5 1 1 A 35 35 GLU N N 32 116.570 120.237 -3.667 1
1 403 . 5 1 1 A 36 36 VAL H H 33 7.785 7.528 0.257 1
1 404 . 5 1 1 A 36 36 VAL HA H 33 3.484 3.862 -0.378 1
1 412 . 5 1 1 A 36 36 VAL CA C 33 65.213 64.476 0.737 1
1 413 . 5 1 1 A 36 36 VAL CB C 33 31.932 31.390 0.542 1
1 416 . 5 1 1 A 36 36 VAL N N 33 120.618 120.079 0.539 1
1 417 . 5 1 1 A 37 37 LEU H H 34 7.956 7.532 0.424 1
1 418 . 5 1 1 A 37 37 LEU HA H 34 3.747 4.031 -0.284 1
1 428 . 5 1 1 A 37 37 LEU CA C 34 57.069 56.946 0.123 1
1 429 . 5 1 1 A 37 37 LEU CB C 34 40.916 41.597 -0.681 1
1 433 . 5 1 1 A 37 37 LEU N N 34 115.476 120.691 -5.215 1
1 434 . 5 1 1 A 38 38 GLU H H 35 7.042 7.588 -0.546 1
1 435 . 5 1 1 A 38 38 GLU HA H 35 4.395 4.449 -0.054 1
1 440 . 5 1 1 A 38 38 GLU CA C 35 57.553 57.108 0.445 1
1 441 . 5 1 1 A 38 38 GLU CB C 35 30.234 31.284 -1.050 1
1 443 . 5 1 1 A 38 38 GLU N N 35 114.356 116.684 -2.328 1
1 444 . 5 1 1 A 39 39 SER H H 36 7.125 7.676 -0.551 1
1 445 . 5 1 1 A 39 39 SER HA H 36 4.593 4.979 -0.386 1
1 448 . 5 1 1 A 39 39 SER CA C 36 55.308 55.468 -0.160 1
1 449 . 5 1 1 A 39 39 SER CB C 36 62.305 63.205 -0.900 1
1 450 . 5 1 1 A 39 39 SER N N 36 109.796 114.669 -4.873 1
1 451 . 5 1 1 A 40 40 PRO HA H 37 4.360 4.436 -0.076 1
1 458 . 5 1 1 A 40 40 PRO CA C 37 64.802 63.504 1.298 1
1 459 . 5 1 1 A 40 40 PRO CB C 37 32.562 32.477 0.085 1
1 462 . 5 1 1 A 41 41 ARG H H 38 8.356 8.046 0.310 1
1 463 . 5 1 1 A 41 41 ARG HA H 38 3.271 4.408 -1.137 1
1 470 . 5 1 1 A 41 41 ARG CA C 38 56.364 55.171 1.193 1
1 471 . 5 1 1 A 41 41 ARG CB C 38 29.580 29.040 0.540 1
1 474 . 5 1 1 A 41 41 ARG N N 38 120.882 119.012 1.870 1
1 475 . 5 1 1 A 42 42 ILE H H 39 5.973 7.678 -1.705 1
1 476 . 5 1 1 A 42 42 ILE HA H 39 4.216 4.576 -0.360 1
1 486 . 5 1 1 A 42 42 ILE CA C 39 60.301 60.454 -0.153 1
1 487 . 5 1 1 A 42 42 ILE CB C 39 38.705 39.491 -0.786 1
1 491 . 5 1 1 A 42 42 ILE N N 39 127.866 125.085 2.781 1
1 492 . 5 1 1 A 43 43 GLU H H 40 8.860 8.922 -0.062 1
1 493 . 5 1 1 A 43 43 GLU HA H 40 4.218 4.127 0.091 1
1 498 . 5 1 1 A 43 43 GLU CA C 40 59.945 59.109 0.836 1
1 499 . 5 1 1 A 43 43 GLU CB C 40 29.040 28.999 0.041 1
1 501 . 5 1 1 A 43 43 GLU N N 40 129.498 127.895 1.603 1
1 502 . 5 1 1 A 44 44 ALA H H 41 8.827 7.964 0.863 1
1 503 . 5 1 1 A 44 44 ALA HA H 41 4.241 4.083 0.158 1
1 507 . 5 1 1 A 44 44 ALA CA C 41 54.035 54.288 -0.253 1
1 508 . 5 1 1 A 44 44 ALA CB C 41 18.466 18.253 0.213 1
1 509 . 5 1 1 A 44 44 ALA N N 41 119.919 122.263 -2.344 1
1 510 . 5 1 1 A 45 45 ASN H H 42 8.184 7.939 0.245 1
1 511 . 5 1 1 A 45 45 ASN HA H 42 5.082 4.847 0.235 1
1 516 . 5 1 1 A 45 45 ASN CA C 42 51.401 53.645 -2.244 1
1 517 . 5 1 1 A 45 45 ASN CB C 42 38.684 39.501 -0.817 1
1 518 . 5 1 1 A 45 45 ASN N N 42 114.675 114.453 0.222 1
1 520 . 5 1 1 A 46 46 LYS H H 43 7.515 7.438 0.077 1
1 521 . 5 1 1 A 46 46 LYS HA H 43 3.741 3.864 -0.123 1
1 530 . 5 1 1 A 46 46 LYS CA C 43 57.354 56.857 0.497 1
1 531 . 5 1 1 A 46 46 LYS CB C 43 32.905 32.821 0.084 1
1 535 . 5 1 1 A 46 46 LYS N N 43 122.167 120.432 1.735 1
1 536 . 5 1 1 A 47 47 LEU H H 44 8.184 8.309 -0.125 1
1 537 . 5 1 1 A 47 47 LEU HA H 44 4.297 4.542 -0.245 1
1 547 . 5 1 1 A 47 47 LEU CA C 44 53.422 53.835 -0.413 1
1 548 . 5 1 1 A 47 47 LEU CB C 44 42.208 42.349 -0.141 1
1 552 . 5 1 1 A 47 47 LEU N N 44 127.544 123.154 4.390 1
1 553 . 5 1 1 A 48 48 ARG H H 45 8.706 8.826 -0.120 1
1 554 . 5 1 1 A 48 48 ARG HA H 45 3.918 3.973 -0.055 1
1 561 . 5 1 1 A 48 48 ARG CA C 45 57.765 59.621 -1.856 1
1 562 . 5 1 1 A 48 48 ARG CB C 45 29.686 30.287 -0.601 1
1 565 . 5 1 1 A 48 48 ARG N N 45 128.641 122.992 5.649 1
1 566 . 5 1 1 A 49 49 GLY H H 46 8.543 7.853 0.690 1
1 567 . 5 1 1 A 49 49 GLY HA2 H 46 4.129 3.993 0.136 1
1 568 . 5 1 1 A 49 49 GLY HA3 H 46 3.662 4.001 -0.339 1
1 569 . 5 1 1 A 49 49 GLY CA C 46 44.981 45.648 -0.667 1
1 570 . 5 1 1 A 49 49 GLY N N 46 110.474 105.796 4.678 1
1 571 . 5 1 1 A 50 50 MET H H 47 7.404 7.655 -0.251 1
1 572 . 5 1 1 A 50 50 MET HA H 47 5.226 4.903 0.323 1
1 580 . 5 1 1 A 50 50 MET CA C 47 50.824 52.308 -1.484 1
1 581 . 5 1 1 A 50 50 MET CB C 47 33.186 33.200 -0.014 1
1 584 . 5 1 1 A 50 50 MET N N 47 118.742 119.146 -0.404 1
1 585 . 5 1 1 A 51 51 PRO HA H 48 4.344 4.220 0.124 1
1 592 . 5 1 1 A 51 51 PRO CA C 48 63.591 64.670 -1.079 1
1 593 . 5 1 1 A 51 51 PRO CB C 48 31.942 31.904 0.038 1
1 596 . 5 1 1 A 52 52 ASP H H 49 8.703 8.404 0.299 1
1 597 . 5 1 1 A 52 52 ASP HA H 49 4.392 4.605 -0.213 1
1 600 . 5 1 1 A 52 52 ASP CA C 49 56.244 53.823 2.421 1
1 601 . 5 1 1 A 52 52 ASP N N 49 116.361 114.766 1.595 1
1 602 . 5 1 1 A 53 53 CYS H H 50 7.456 7.314 0.142 1
1 603 . 5 1 1 A 53 53 CYS HA H 50 5.799 4.930 0.869 1
1 606 . 5 1 1 A 53 53 CYS CA C 50 58.147 57.126 1.021 1
1 607 . 5 1 1 A 53 53 CYS CB C 50 30.953 29.100 1.853 1
1 608 . 5 1 1 A 53 53 CYS N N 50 114.086 118.305 -4.219 1
1 609 . 5 1 1 A 54 54 TYR H H 51 8.939 8.859 0.080 1
1 610 . 5 1 1 A 54 54 TYR HA H 51 4.662 5.296 -0.634 1
1 617 . 5 1 1 A 54 54 TYR CA C 51 56.444 56.372 0.072 1
1 618 . 5 1 1 A 54 54 TYR CB C 51 43.000 42.816 0.184 1
1 620 . 5 1 1 A 54 54 TYR N N 51 120.722 122.221 -1.499 1
1 621 . 5 1 1 A 55 55 LYS H H 52 8.665 8.982 -0.317 1
1 622 . 5 1 1 A 55 55 LYS HA H 52 5.456 5.509 -0.053 1
1 631 . 5 1 1 A 55 55 LYS CA C 52 53.968 54.543 -0.575 1
1 632 . 5 1 1 A 55 55 LYS CB C 52 36.126 36.508 -0.382 1
1 636 . 5 1 1 A 55 55 LYS N N 52 117.297 117.397 -0.100 1
1 637 . 5 1 1 A 56 56 ILE H H 53 9.272 8.878 0.394 1
1 638 . 5 1 1 A 56 56 ILE HA H 53 4.428 4.898 -0.470 1
1 648 . 5 1 1 A 56 56 ILE CA C 53 60.803 59.194 1.609 1
1 649 . 5 1 1 A 56 56 ILE CB C 53 40.849 42.140 -1.291 1
1 653 . 5 1 1 A 56 56 ILE N N 53 122.006 121.092 0.914 1
1 654 . 5 1 1 A 57 57 LYS H H 54 8.745 8.981 -0.236 1
1 655 . 5 1 1 A 57 57 LYS HA H 54 5.093 5.042 0.051 1
1 664 . 5 1 1 A 57 57 LYS CA C 54 54.227 54.621 -0.394 1
1 665 . 5 1 1 A 57 57 LYS CB C 54 35.595 36.181 -0.586 1
1 669 . 5 1 1 A 57 57 LYS N N 54 125.752 122.625 3.127 1
1 670 . 5 1 1 A 58 58 LEU H H 55 8.543 9.050 -0.507 1
1 671 . 5 1 1 A 58 58 LEU HA H 55 4.788 4.458 0.330 1
1 681 . 5 1 1 A 58 58 LEU CA C 55 53.151 54.709 -1.558 1
1 682 . 5 1 1 A 58 58 LEU CB C 55 41.238 41.064 0.174 1
1 686 . 5 1 1 A 58 58 LEU N N 55 124.173 125.053 -0.880 1
1 687 . 5 1 1 A 59 59 ARG HA H 56 4.039 4.091 -0.052 1
1 694 . 5 1 1 A 59 59 ARG CA C 56 59.531 58.374 1.157 1
1 695 . 5 1 1 A 59 59 ARG CB C 56 32.180 29.957 2.223 1
1 698 . 5 1 1 A 60 60 SER HA H 57 4.335 4.496 -0.161 1
1 701 . 5 1 1 A 60 60 SER CA C 57 60.035 59.926 0.109 1
1 702 . 5 1 1 A 60 60 SER CB C 57 62.551 63.900 -1.349 1
1 703 . 5 1 1 A 61 61 SER H H 58 7.605 7.933 -0.328 1
1 704 . 5 1 1 A 61 61 SER HA H 58 4.604 4.751 -0.147 1
1 707 . 5 1 1 A 61 61 SER CA C 58 58.122 58.885 -0.763 1
1 708 . 5 1 1 A 61 61 SER CB C 58 64.520 66.257 -1.737 1
1 709 . 5 1 1 A 61 61 SER N N 58 112.447 114.914 -2.467 1
1 710 . 5 1 1 A 62 62 GLY H H 59 8.214 9.043 -0.829 1
1 711 . 5 1 1 A 62 62 GLY HA2 H 59 4.091 3.868 0.223 1
1 712 . 5 1 1 A 62 62 GLY HA3 H 59 3.824 3.903 -0.079 1
1 713 . 5 1 1 A 62 62 GLY CA C 59 45.562 45.734 -0.172 1
1 714 . 5 1 1 A 62 62 GLY N N 59 108.976 109.655 -0.679 1
1 715 . 5 1 1 A 63 63 TYR H H 60 7.283 7.892 -0.609 1
1 716 . 5 1 1 A 63 63 TYR HA H 60 4.619 4.608 0.011 1
1 723 . 5 1 1 A 63 63 TYR CA C 60 60.412 57.764 2.648 1
1 724 . 5 1 1 A 63 63 TYR CB C 60 40.339 40.113 0.226 1
1 727 . 5 1 1 A 63 63 TYR N N 60 117.859 119.242 -1.383 1
1 728 . 5 1 1 A 64 64 ARG H H 61 9.296 9.186 0.110 1
1 729 . 5 1 1 A 64 64 ARG HA H 61 5.634 5.285 0.349 1
1 736 . 5 1 1 A 64 64 ARG CA C 61 54.114 54.381 -0.267 1
1 737 . 5 1 1 A 64 64 ARG CB C 61 33.245 34.176 -0.931 1
1 740 . 5 1 1 A 64 64 ARG N N 61 117.912 120.898 -2.986 1
1 741 . 5 1 1 A 65 65 LEU H H 62 9.077 8.879 0.198 1
1 742 . 5 1 1 A 65 65 LEU HA H 62 5.459 5.187 0.272 1
1 752 . 5 1 1 A 65 65 LEU CA C 62 54.114 54.613 -0.499 1
1 753 . 5 1 1 A 65 65 LEU CB C 62 46.977 46.120 0.857 1
1 757 . 5 1 1 A 65 65 LEU N N 62 123.590 122.248 1.342 1
1 758 . 5 1 1 A 66 66 VAL H H 63 8.729 8.787 -0.058 1
1 759 . 5 1 1 A 66 66 VAL HA H 63 5.206 5.208 -0.002 1
1 767 . 5 1 1 A 66 66 VAL CA C 63 60.112 60.880 -0.768 1
1 768 . 5 1 1 A 66 66 VAL CB C 63 34.296 34.139 0.157 1
1 771 . 5 1 1 A 66 66 VAL N N 63 123.237 125.641 -2.404 1
1 772 . 5 1 1 A 67 67 TYR H H 64 8.976 8.816 0.160 1
1 773 . 5 1 1 A 67 67 TYR HA H 64 5.745 5.634 0.111 1
1 780 . 5 1 1 A 67 67 TYR CA C 64 53.968 55.134 -1.166 1
1 781 . 5 1 1 A 67 67 TYR CB C 64 42.534 41.525 1.009 1
1 784 . 5 1 1 A 67 67 TYR N N 64 124.227 123.277 0.950 1
1 785 . 5 1 1 A 68 68 GLN H H 65 9.696 8.983 0.713 1
1 786 . 5 1 1 A 68 68 GLN HA H 65 5.640 5.230 0.410 1
1 793 . 5 1 1 A 68 68 GLN CA C 65 52.933 54.110 -1.177 1
1 794 . 5 1 1 A 68 68 GLN CB C 65 33.585 31.846 1.739 1
1 796 . 5 1 1 A 68 68 GLN N N 65 122.541 120.554 1.987 1
1 798 . 5 1 1 A 69 69 VAL H H 66 9.050 9.153 -0.103 1
1 799 . 5 1 1 A 69 69 VAL HA H 66 4.513 4.355 0.158 1
1 807 . 5 1 1 A 69 69 VAL CA C 66 62.534 62.728 -0.194 1
1 808 . 5 1 1 A 69 69 VAL CB C 66 33.052 30.991 2.061 1
1 811 . 5 1 1 A 69 69 VAL N N 66 127.437 125.830 1.607 1
1 812 . 5 1 1 A 70 70 ILE H H 67 9.385 8.850 0.535 1
1 813 . 5 1 1 A 70 70 ILE HA H 67 4.475 4.352 0.123 1
1 823 . 5 1 1 A 70 70 ILE CA C 67 59.863 61.130 -1.267 1
1 824 . 5 1 1 A 70 70 ILE CB C 67 37.487 37.388 0.099 1
1 828 . 5 1 1 A 70 70 ILE N N 67 129.296 128.364 0.932 1
1 829 . 5 1 1 A 71 71 ASP H H 68 9.343 9.050 0.293 1
1 830 . 5 1 1 A 71 71 ASP HA H 68 4.595 4.463 0.132 1
1 833 . 5 1 1 A 71 71 ASP CA C 68 58.841 57.726 1.115 1
1 834 . 5 1 1 A 71 71 ASP CB C 68 40.637 40.721 -0.084 1
1 835 . 5 1 1 A 71 71 ASP N N 68 128.749 129.784 -1.035 1
1 836 . 5 1 1 A 72 72 GLU H H 69 9.718 9.103 0.615 1
1 837 . 5 1 1 A 72 72 GLU HA H 69 4.124 4.083 0.041 1
1 842 . 5 1 1 A 72 72 GLU CA C 69 59.335 59.145 0.190 1
1 843 . 5 1 1 A 72 72 GLU CB C 69 29.131 28.987 0.144 1
1 845 . 5 1 1 A 72 72 GLU N N 69 118.929 117.246 1.683 1
1 846 . 5 1 1 A 73 73 LYS H H 70 6.653 7.717 -1.064 1
1 847 . 5 1 1 A 73 73 LYS HA H 70 4.517 4.456 0.061 1
1 856 . 5 1 1 A 73 73 LYS CA C 70 54.587 56.083 -1.496 1
1 857 . 5 1 1 A 73 73 LYS CB C 70 33.843 32.649 1.194 1
1 861 . 5 1 1 A 73 73 LYS N N 70 114.113 117.427 -3.314 1
1 862 . 5 1 1 A 74 74 VAL H H 71 7.832 7.885 -0.053 1
1 863 . 5 1 1 A 74 74 VAL HA H 71 3.012 3.779 -0.767 1
1 871 . 5 1 1 A 74 74 VAL CA C 71 63.090 62.986 0.104 1
1 872 . 5 1 1 A 74 74 VAL CB C 71 29.226 29.762 -0.536 1
1 875 . 5 1 1 A 74 74 VAL N N 71 119.223 116.989 2.234 1
1 876 . 5 1 1 A 75 75 VAL H H 72 7.732 7.948 -0.216 1
1 877 . 5 1 1 A 75 75 VAL HA H 72 4.950 4.748 0.202 1
1 885 . 5 1 1 A 75 75 VAL CA C 72 60.455 60.477 -0.022 1
1 886 . 5 1 1 A 75 75 VAL CB C 72 37.925 34.702 3.223 1
1 889 . 5 1 1 A 75 75 VAL N N 72 117.190 120.426 -3.236 1
1 890 . 5 1 1 A 76 76 VAL H H 73 9.026 8.313 0.713 1
1 891 . 5 1 1 A 76 76 VAL HA H 73 4.349 5.004 -0.655 1
1 899 . 5 1 1 A 76 76 VAL CA C 73 62.527 61.116 1.411 1
1 900 . 5 1 1 A 76 76 VAL CB C 73 32.882 33.056 -0.174 1
1 903 . 5 1 1 A 76 76 VAL N N 73 128.347 122.369 5.978 1
1 904 . 5 1 1 A 77 77 PHE H H 74 9.629 9.263 0.366 1
1 905 . 5 1 1 A 77 77 PHE HA H 74 5.898 4.880 1.018 1
1 913 . 5 1 1 A 77 77 PHE CA C 74 51.863 56.234 -4.371 1
1 914 . 5 1 1 A 77 77 PHE CB C 74 40.214 39.648 0.566 1
1 918 . 5 1 1 A 77 77 PHE N N 74 128.802 127.966 0.836 1
1 919 . 5 1 1 A 78 78 VAL H H 75 9.535 8.735 0.800 1
1 920 . 5 1 1 A 78 78 VAL HA H 75 3.712 4.123 -0.411 1
1 928 . 5 1 1 A 78 78 VAL CA C 75 63.939 63.224 0.715 1
1 929 . 5 1 1 A 78 78 VAL CB C 75 31.079 30.457 0.622 1
1 932 . 5 1 1 A 78 78 VAL N N 75 128.588 127.580 1.008 1
1 933 . 5 1 1 A 79 79 ILE H H 76 8.515 8.618 -0.103 1
1 934 . 5 1 1 A 79 79 ILE HA H 76 3.443 3.677 -0.234 1
1 944 . 5 1 1 A 79 79 ILE CA C 76 61.950 62.505 -0.555 1
1 945 . 5 1 1 A 79 79 ILE CB C 76 40.800 38.403 2.397 1
1 949 . 5 1 1 A 79 79 ILE N N 76 126.287 129.307 -3.020 1
1 950 . 5 1 1 A 80 80 SER H H 77 7.180 7.354 -0.174 1
1 951 . 5 1 1 A 80 80 SER HA H 77 4.506 5.270 -0.764 1
1 954 . 5 1 1 A 80 80 SER CA C 77 57.464 57.657 -0.193 1
1 955 . 5 1 1 A 80 80 SER CB C 77 64.912 66.865 -1.953 1
1 956 . 5 1 1 A 80 80 SER N N 77 111.625 114.634 -3.009 1
1 957 . 5 1 1 A 81 81 VAL H H 78 8.641 8.772 -0.131 1
1 958 . 5 1 1 A 81 81 VAL HA H 78 5.066 5.114 -0.048 1
1 966 . 5 1 1 A 81 81 VAL CA C 78 60.913 60.696 0.217 1
1 967 . 5 1 1 A 81 81 VAL CB C 78 35.010 35.233 -0.223 1
1 970 . 5 1 1 A 81 81 VAL N N 78 126.742 123.925 2.817 1
1 971 . 5 1 1 A 82 82 GLY H H 79 8.658 8.371 0.287 1
1 972 . 5 1 1 A 82 82 GLY HA2 H 79 4.370 4.238 0.132 1
1 973 . 5 1 1 A 82 82 GLY HA3 H 79 4.160 4.439 -0.279 1
1 974 . 5 1 1 A 82 82 GLY CA C 79 46.036 44.290 1.746 1
1 975 . 5 1 1 A 82 82 GLY N N 79 111.223 112.071 -0.848 1
1 976 . 5 1 1 A 83 83 LYS H H 80 8.569 8.260 0.309 1
1 977 . 5 1 1 A 83 83 LYS HA H 80 4.369 4.526 -0.157 1
1 986 . 5 1 1 A 83 83 LYS CA C 80 54.855 55.458 -0.603 1
1 987 . 5 1 1 A 83 83 LYS CB C 80 34.866 33.304 1.562 1
1 991 . 5 1 1 A 83 83 LYS N N 80 121.257 120.330 0.927 1
1 992 . 5 1 1 A 84 84 ALA H H 81 8.334 8.657 -0.323 1
1 993 . 5 1 1 A 84 84 ALA HA H 81 4.274 4.648 -0.374 1
1 997 . 5 1 1 A 84 84 ALA CA C 81 52.003 50.116 1.887 1
1 998 . 5 1 1 A 84 84 ALA CB C 81 19.185 21.496 -2.311 1
1 999 . 5 1 1 A 84 84 ALA N N 81 126.662 127.397 -0.735 1
1 1000 . 5 1 1 A 85 85 GLU H H 82 8.638 8.498 0.140 1
1 1001 . 5 1 1 A 85 85 GLU HA H 82 4.214 4.262 -0.048 1
1 1006 . 5 1 1 A 85 85 GLU CA C 82 56.366 56.826 -0.460 1
1 1007 . 5 1 1 A 85 85 GLU CB C 82 30.238 30.210 0.028 1
1 1009 . 5 1 1 A 85 85 GLU N N 82 121.819 118.563 3.256 1
1 1010 . 5 1 1 A 86 86 ALA H H 83 8.462 8.447 0.015 1
1 1011 . 5 1 1 A 86 86 ALA HA H 83 4.341 4.538 -0.197 1
1 1015 . 5 1 1 A 86 86 ALA CA C 83 52.156 52.849 -0.693 1
1 1016 . 5 1 1 A 86 86 ALA CB C 83 19.206 21.624 -2.418 1
1 1017 . 5 1 1 A 86 86 ALA N N 83 125.350 124.032 1.318 1
1 1018 . 5 1 1 A 87 87 SER H H 84 8.309 8.228 0.081 1
1 1019 . 5 1 1 A 87 87 SER HA H 84 4.400 4.083 0.317 1
1 1022 . 5 1 1 A 87 87 SER CA C 84 58.058 62.001 -3.943 1
1 1023 . 5 1 1 A 87 87 SER CB C 84 63.845 62.763 1.082 1
1 1024 . 5 1 1 A 87 87 SER N N 84 115.397 114.743 0.654 1
1 1025 . 5 1 1 A 88 88 GLU H H 85 8.443 8.045 0.398 1
1 1026 . 5 1 1 A 88 88 GLU HA H 85 4.318 4.136 0.182 1
1 1031 . 5 1 1 A 88 88 GLU CA C 85 56.465 58.836 -2.371 1
1 1032 . 5 1 1 A 88 88 GLU CB C 85 30.464 29.305 1.159 1
1 1034 . 5 1 1 A 88 88 GLU N N 85 122.947 121.396 1.551 1
1 1035 . 5 1 1 A 89 89 VAL H H 86 8.098 8.040 0.058 1
1 1036 . 5 1 1 A 89 89 VAL HA H 86 4.044 3.631 0.413 1
1 1044 . 5 1 1 A 89 89 VAL CA C 86 62.293 66.311 -4.018 1
1 1045 . 5 1 1 A 89 89 VAL CB C 86 32.703 31.516 1.187 1
1 1048 . 5 1 1 A 89 89 VAL N N 86 120.884 119.920 0.964 1
1 1049 . 5 1 1 A 90 90 TYR H H 87 8.313 8.317 -0.004 1
1 1050 . 5 1 1 A 90 90 TYR HA H 87 4.623 4.059 0.564 1
1 1057 . 5 1 1 A 90 90 TYR CA C 87 57.791 61.733 -3.942 1
1 1058 . 5 1 1 A 90 90 TYR CB C 87 38.795 38.703 0.092 1
1 1061 . 5 1 1 A 90 90 TYR N N 87 124.634 121.409 3.225 1
1 1062 . 5 1 1 A 91 91 SER H H 88 8.140 8.271 -0.131 1
1 1063 . 5 1 1 A 91 91 SER HA H 88 4.411 4.240 0.171 1
1 1066 . 5 1 1 A 91 91 SER CA C 88 58.396 61.287 -2.891 1
1 1067 . 5 1 1 A 91 91 SER CB C 88 63.703 63.383 0.320 1
1 1068 . 5 1 1 A 91 91 SER N N 88 118.447 115.846 2.601 1
1 1069 . 5 1 1 A 92 92 GLU H H 89 8.400 7.596 0.804 1
1 1070 . 5 1 1 A 92 92 GLU HA H 89 4.245 4.247 -0.002 1
1 1075 . 5 1 1 A 92 92 GLU CA C 89 56.465 58.132 -1.667 1
1 1076 . 5 1 1 A 92 92 GLU CB C 89 29.471 29.877 -0.406 1
1 1078 . 5 1 1 A 92 92 GLU N N 89 122.947 119.676 3.271 1
1 1079 . 5 1 1 A 93 93 ALA H H 90 8.224 7.617 0.607 1
1 1080 . 5 1 1 A 93 93 ALA HA H 90 4.287 4.242 0.045 1
1 1084 . 5 1 1 A 93 93 ALA CA C 90 52.598 52.039 0.559 1
1 1085 . 5 1 1 A 93 93 ALA CB C 90 18.864 18.773 0.091 1
1 1086 . 5 1 1 A 93 93 ALA N N 90 124.404 123.199 1.205 1
1 1087 . 5 1 1 A 94 94 VAL H H 91 7.971 8.422 -0.451 1
1 1088 . 5 1 1 A 94 94 VAL HA H 91 4.060 4.122 -0.062 1
1 1096 . 5 1 1 A 94 94 VAL CA C 91 62.072 62.106 -0.034 1
1 1097 . 5 1 1 A 94 94 VAL CB C 91 32.601 32.433 0.168 1
1 1100 . 5 1 1 A 94 94 VAL N N 91 119.330 122.567 -3.237 1
1 1101 . 5 1 1 A 95 95 LYS H H 92 8.271 8.625 -0.354 1
1 1102 . 5 1 1 A 95 95 LYS HA H 92 4.313 4.140 0.173 1
1 1111 . 5 1 1 A 95 95 LYS CA C 92 56.078 57.976 -1.898 1
1 1112 . 5 1 1 A 95 95 LYS CB C 92 32.924 32.386 0.538 1
1 1116 . 5 1 1 A 95 95 LYS N N 92 124.941 121.808 3.133 1
1 1117 . 5 1 1 A 96 96 ARG H H 93 8.317 7.625 0.692 1
1 1118 . 5 1 1 A 96 96 ARG HA H 93 4.360 4.374 -0.014 1
1 1125 . 5 1 1 A 96 96 ARG CA C 93 55.901 55.893 0.008 1
1 1126 . 5 1 1 A 96 96 ARG CB C 93 30.906 30.769 0.137 1
1 1129 . 5 1 1 A 96 96 ARG N N 93 122.918 117.162 5.756 1
1 1130 . 5 1 1 A 97 97 ILE H H 94 8.251 7.317 0.934 1
1 1131 . 5 1 1 A 97 97 ILE HA H 94 4.184 4.325 -0.141 1
1 1141 . 5 1 1 A 97 97 ILE CA C 94 60.946 61.535 -0.589 1
1 1142 . 5 1 1 A 97 97 ILE CB C 94 38.298 39.032 -0.734 1
1 1146 . 5 1 1 A 97 97 ILE N N 94 123.301 122.559 0.742 1
1 1191 . 5 2 2 B 5 5 GLN H H 48 8.533 9.082 -0.549 1
1 1192 . 5 2 2 B 5 5 GLN HA H 48 4.390 5.009 -0.619 1
1 1199 . 5 2 2 B 5 5 GLN C C 48 175.953 174.462 1.491 1
1 1200 . 5 2 2 B 5 5 GLN CA C 48 55.760 54.006 1.754 1
1 1201 . 5 2 2 B 5 5 GLN CB C 48 29.225 32.277 -3.052 1
1 1203 . 5 2 2 B 5 5 GLN N N 48 122.121 125.596 -3.475 1
1 1205 . 5 2 2 B 6 6 THR H H 49 8.281 8.944 -0.663 1
1 1206 . 5 2 2 B 6 6 THR HA H 49 4.316 4.408 -0.092 1
1 1211 . 5 2 2 B 6 6 THR C C 49 174.156 174.345 -0.189 1
1 1212 . 5 2 2 B 6 6 THR CA C 49 61.724 63.085 -1.361 1
1 1213 . 5 2 2 B 6 6 THR CB C 49 69.452 69.435 0.017 1
1 1215 . 5 2 2 B 6 6 THR N N 49 116.639 118.770 -2.131 1
1 1216 . 5 2 2 B 7 7 LEU H H 50 8.328 8.764 -0.436 1
1 1217 . 5 2 2 B 7 7 LEU HA H 50 4.381 4.255 0.126 1
1 1227 . 5 2 2 B 7 7 LEU C C 50 176.985 176.940 0.045 1
1 1228 . 5 2 2 B 7 7 LEU CA C 50 55.093 55.589 -0.496 1
1 1229 . 5 2 2 B 7 7 LEU CB C 50 42.122 42.162 -0.040 1
1 1233 . 5 2 2 B 7 7 LEU N N 50 125.001 126.344 -1.343 1
1 1234 . 5 2 2 B 8 8 LEU H H 51 8.264 7.445 0.819 1
1 1235 . 5 2 2 B 8 8 LEU HA H 51 4.410 4.853 -0.443 1
1 1245 . 5 2 2 B 8 8 LEU C C 51 177.235 175.830 1.405 1
1 1246 . 5 2 2 B 8 8 LEU CA C 51 54.936 53.241 1.695 1
1 1247 . 5 2 2 B 8 8 LEU CB C 51 42.292 44.158 -1.866 1
1 1251 . 5 2 2 B 8 8 LEU N N 51 123.073 116.082 6.991 1
1 1252 . 5 2 2 B 9 9 SER H H 52 8.499 8.908 -0.409 1
1 1253 . 5 2 2 B 9 9 SER HA H 52 4.410 4.738 -0.328 1
1 1256 . 5 2 2 B 9 9 SER C C 52 174.083 174.228 -0.145 1
1 1257 . 5 2 2 B 9 9 SER CA C 52 57.757 56.178 1.579 1
1 1258 . 5 2 2 B 9 9 SER CB C 52 63.734 65.605 -1.871 1
1 1259 . 5 2 2 B 9 9 SER N N 52 117.150 115.299 1.851 1
1 1260 . 5 2 2 B 10 10 ASP H H 53 8.416 9.134 -0.718 1
1 1261 . 5 2 2 B 10 10 ASP HA H 53 4.575 4.360 0.215 1
1 1264 . 5 2 2 B 10 10 ASP C C 53 176.911 178.498 -1.587 1
1 1265 . 5 2 2 B 10 10 ASP CA C 53 54.678 57.025 -2.347 1
1 1266 . 5 2 2 B 10 10 ASP CB C 53 40.771 40.059 0.712 1
1 1267 . 5 2 2 B 10 10 ASP N N 53 122.632 122.291 0.341 1
1 1268 . 5 2 2 B 11 11 GLU H H 54 8.486 8.448 0.038 1
1 1269 . 5 2 2 B 11 11 GLU HA H 54 4.155 4.041 0.114 1
1 1274 . 5 2 2 B 11 11 GLU C C 54 177.220 178.529 -1.309 1
1 1275 . 5 2 2 B 11 11 GLU CA C 54 58.488 59.450 -0.962 1
1 1276 . 5 2 2 B 11 11 GLU CB C 54 29.615 29.268 0.347 1
1 1278 . 5 2 2 B 11 11 GLU N N 54 121.842 118.810 3.032 1
1 1279 . 5 2 2 B 12 12 ASP H H 55 8.301 7.981 0.320 1
1 1280 . 5 2 2 B 12 12 ASP HA H 55 4.470 4.312 0.158 1
1 1283 . 5 2 2 B 12 12 ASP C C 55 177.161 178.352 -1.191 1
1 1284 . 5 2 2 B 12 12 ASP CA C 55 55.901 57.240 -1.339 1
1 1285 . 5 2 2 B 12 12 ASP CB C 55 40.503 40.086 0.417 1
1 1286 . 5 2 2 B 12 12 ASP N N 55 120.309 120.585 -0.276 1
1 1287 . 5 2 2 B 13 13 ALA H H 56 8.114 7.875 0.239 1
1 1288 . 5 2 2 B 13 13 ALA HA H 56 3.986 4.018 -0.032 1
1 1292 . 5 2 2 B 13 13 ALA C C 56 180.446 179.111 1.335 1
1 1293 . 5 2 2 B 13 13 ALA CA C 56 55.422 54.853 0.569 1
1 1294 . 5 2 2 B 13 13 ALA CB C 56 18.001 18.093 -0.092 1
1 1295 . 5 2 2 B 13 13 ALA N N 56 122.864 122.640 0.224 1
1 1296 . 5 2 2 B 14 14 GLU H H 57 8.105 7.606 0.499 1
1 1297 . 5 2 2 B 14 14 GLU HA H 57 4.010 4.184 -0.174 1
1 1302 . 5 2 2 B 14 14 GLU C C 57 178.914 179.293 -0.379 1
1 1303 . 5 2 2 B 14 14 GLU CA C 57 59.175 59.208 -0.033 1
1 1304 . 5 2 2 B 14 14 GLU CB C 57 28.904 30.247 -1.343 1
1 1306 . 5 2 2 B 14 14 GLU N N 57 117.931 117.939 -0.008 1
1 1307 . 5 2 2 B 15 15 LEU H H 58 7.813 8.039 -0.226 1
1 1308 . 5 2 2 B 15 15 LEU HA H 58 4.062 4.067 -0.005 1
1 1318 . 5 2 2 B 15 15 LEU C C 58 178.634 179.470 -0.836 1
1 1319 . 5 2 2 B 15 15 LEU CA C 58 56.960 58.001 -1.041 1
1 1320 . 5 2 2 B 15 15 LEU CB C 58 41.973 41.290 0.683 1
1 1324 . 5 2 2 B 15 15 LEU N N 58 119.867 120.317 -0.450 1
1 1325 . 5 2 2 B 16 16 VAL H H 59 8.491 7.762 0.729 1
1 1326 . 5 2 2 B 16 16 VAL HA H 59 3.365 3.886 -0.521 1
1 1334 . 5 2 2 B 16 16 VAL C C 59 177.147 177.155 -0.008 1
1 1335 . 5 2 2 B 16 16 VAL CA C 59 67.142 65.459 1.683 1
1 1336 . 5 2 2 B 16 16 VAL CB C 59 31.176 31.432 -0.256 1
1 1339 . 5 2 2 B 16 16 VAL N N 59 118.357 115.746 2.611 1
1 1340 . 5 2 2 B 17 17 GLU H H 60 7.411 8.086 -0.675 1
1 1341 . 5 2 2 B 17 17 GLU HA H 60 4.015 4.151 -0.136 1
1 1346 . 5 2 2 B 17 17 GLU C C 60 179.636 178.295 1.341 1
1 1347 . 5 2 2 B 17 17 GLU CA C 60 59.203 58.747 0.456 1
1 1348 . 5 2 2 B 17 17 GLU CB C 60 28.970 29.208 -0.238 1
1 1350 . 5 2 2 B 17 17 GLU N N 60 117.103 120.088 -2.985 1
1 1351 . 5 2 2 B 18 18 ILE H H 61 7.574 7.636 -0.062 1
1 1352 . 5 2 2 B 18 18 ILE HA H 61 3.830 3.794 0.036 1
1 1362 . 5 2 2 B 18 18 ILE C C 61 178.001 178.236 -0.235 1
1 1363 . 5 2 2 B 18 18 ILE CA C 61 63.982 64.222 -0.240 1
1 1364 . 5 2 2 B 18 18 ILE CB C 61 38.483 37.423 1.060 1
1 1368 . 5 2 2 B 18 18 ILE N N 61 120.727 121.450 -0.723 1
1 1369 . 5 2 2 B 19 19 VAL H H 62 8.294 8.083 0.211 1
1 1370 . 5 2 2 B 19 19 VAL HA H 62 3.360 3.768 -0.408 1
1 1378 . 5 2 2 B 19 19 VAL C C 62 177.338 177.544 -0.206 1
1 1379 . 5 2 2 B 19 19 VAL CA C 62 66.364 65.459 0.905 1
1 1380 . 5 2 2 B 19 19 VAL CB C 62 31.203 31.406 -0.203 1
1 1383 . 5 2 2 B 19 19 VAL N N 62 119.635 121.475 -1.840 1
1 1384 . 5 2 2 B 20 20 LYS H H 63 8.780 8.024 0.756 1
1 1385 . 5 2 2 B 20 20 LYS HA H 63 3.784 4.008 -0.224 1
1 1394 . 5 2 2 B 20 20 LYS C C 63 179.209 178.768 0.441 1
1 1395 . 5 2 2 B 20 20 LYS CA C 63 60.096 58.916 1.180 1
1 1396 . 5 2 2 B 20 20 LYS CB C 63 32.673 31.966 0.707 1
1 1400 . 5 2 2 B 20 20 LYS N N 63 118.009 120.028 -2.019 1
1 1401 . 5 2 2 B 21 21 GLU H H 64 7.567 8.035 -0.468 1
1 1402 . 5 2 2 B 21 21 GLU HA H 64 4.084 4.047 0.037 1
1 1407 . 5 2 2 B 21 21 GLU C C 64 179.592 179.787 -0.195 1
1 1408 . 5 2 2 B 21 21 GLU CA C 64 58.728 59.265 -0.537 1
1 1409 . 5 2 2 B 21 21 GLU CB C 64 28.974 29.357 -0.383 1
1 1411 . 5 2 2 B 21 21 GLU N N 64 117.452 119.498 -2.046 1
1 1412 . 5 2 2 B 22 22 ARG H H 65 8.156 7.826 0.330 1
1 1413 . 5 2 2 B 22 22 ARG HA H 65 4.053 4.109 -0.056 1
1 1420 . 5 2 2 B 22 22 ARG C C 65 177.986 177.412 0.574 1
1 1421 . 5 2 2 B 22 22 ARG CA C 65 61.243 58.251 2.992 1
1 1422 . 5 2 2 B 22 22 ARG CB C 65 29.980 30.334 -0.354 1
1 1425 . 5 2 2 B 22 22 ARG N N 65 119.635 120.333 -0.698 1
1 1426 . 5 2 2 B 23 23 LEU H H 66 8.436 7.715 0.721 1
1 1427 . 5 2 2 B 23 23 LEU HA H 66 4.106 4.258 -0.152 1
1 1437 . 5 2 2 B 23 23 LEU C C 66 178.620 178.956 -0.336 1
1 1438 . 5 2 2 B 23 23 LEU CA C 66 56.667 55.273 1.394 1
1 1439 . 5 2 2 B 23 23 LEU CB C 66 41.465 41.913 -0.448 1
1 1443 . 5 2 2 B 23 23 LEU N N 66 115.686 116.817 -1.131 1
1 1444 . 5 2 2 B 24 24 ARG H H 67 7.404 8.482 -1.078 1
1 1445 . 5 2 2 B 24 24 ARG HA H 67 4.165 4.175 -0.010 1
1 1452 . 5 2 2 B 24 24 ARG C C 67 177.147 176.239 0.908 1
1 1453 . 5 2 2 B 24 24 ARG CA C 67 59.004 57.748 1.256 1
1 1454 . 5 2 2 B 24 24 ARG CB C 67 30.472 29.509 0.963 1
1 1457 . 5 2 2 B 24 24 ARG N N 67 118.427 117.650 0.777 1
1 1458 . 5 2 2 B 25 25 ASN H H 68 7.322 7.834 -0.512 1
1 1459 . 5 2 2 B 25 25 ASN HA H 68 5.064 4.985 0.079 1
1 1464 . 5 2 2 B 25 25 ASN CA C 68 51.014 51.176 -0.162 1
1 1465 . 5 2 2 B 25 25 ASN CB C 68 38.696 38.956 -0.260 1
1 1466 . 5 2 2 B 25 25 ASN N N 68 114.083 117.505 -3.422 1
1 1468 . 5 2 2 B 26 26 PRO HA H 69 4.521 4.463 0.058 1
1 1475 . 5 2 2 B 26 26 PRO C C 69 177.323 176.980 0.343 1
1 1476 . 5 2 2 B 26 26 PRO CA C 69 63.698 65.775 -2.077 1
1 1477 . 5 2 2 B 26 26 PRO CB C 69 33.286 31.675 1.611 1
1 1480 . 5 2 2 B 27 27 LYS H H 70 8.672 7.960 0.712 1
1 1481 . 5 2 2 B 27 27 LYS HA H 70 4.980 3.948 1.032 1
1 1490 . 5 2 2 B 27 27 LYS CA C 70 52.767 56.497 -3.730 1
1 1491 . 5 2 2 B 27 27 LYS CB C 70 33.540 30.671 2.869 1
1 1495 . 5 2 2 B 27 27 LYS N N 70 121.210 115.742 5.468 1
1 1496 . 5 2 2 B 28 28 PRO HA H 71 4.467 4.713 -0.246 1
1 1503 . 5 2 2 B 28 28 PRO C C 71 177.235 175.407 1.828 1
1 1504 . 5 2 2 B 28 28 PRO CA C 71 63.859 62.264 1.595 1
1 1505 . 5 2 2 B 28 28 PRO CB C 71 32.632 32.918 -0.286 1
1 1508 . 5 2 2 B 29 29 VAL H H 72 9.036 8.491 0.545 1
1 1509 . 5 2 2 B 29 29 VAL HA H 72 4.155 4.494 -0.339 1
1 1517 . 5 2 2 B 29 29 VAL C C 72 174.554 175.105 -0.551 1
1 1518 . 5 2 2 B 29 29 VAL CA C 72 61.506 60.814 0.692 1
1 1519 . 5 2 2 B 29 29 VAL CB C 72 34.764 34.015 0.749 1
1 1522 . 5 2 2 B 29 29 VAL N N 72 124.322 121.740 2.582 1
1 1523 . 5 2 2 B 30 30 ARG H H 73 8.437 8.664 -0.227 1
1 1524 . 5 2 2 B 30 30 ARG HA H 73 5.195 4.568 0.627 1
1 1531 . 5 2 2 B 30 30 ARG C C 73 176.248 176.130 0.118 1
1 1532 . 5 2 2 B 30 30 ARG CA C 73 55.189 56.643 -1.454 1
1 1533 . 5 2 2 B 30 30 ARG CB C 73 27.764 30.644 -2.880 1
1 1536 . 5 2 2 B 30 30 ARG N N 73 129.461 128.374 1.087 1
1 1537 . 5 2 2 B 31 31 VAL H H 74 8.822 8.828 -0.006 1
1 1538 . 5 2 2 B 31 31 VAL HA H 74 4.889 5.222 -0.333 1
1 1546 . 5 2 2 B 31 31 VAL C C 74 173.965 173.982 -0.017 1
1 1547 . 5 2 2 B 31 31 VAL CA C 74 59.055 59.324 -0.269 1
1 1548 . 5 2 2 B 31 31 VAL CB C 74 35.653 36.069 -0.416 1
1 1551 . 5 2 2 B 31 31 VAL N N 74 123.375 119.993 3.382 1
1 1552 . 5 2 2 B 32 32 THR H H 75 7.855 8.292 -0.437 1
1 1553 . 5 2 2 B 32 32 THR HA H 75 4.730 5.050 -0.320 1
1 1558 . 5 2 2 B 32 32 THR C C 75 175.865 175.413 0.452 1
1 1559 . 5 2 2 B 32 32 THR CA C 75 59.052 59.174 -0.122 1
1 1560 . 5 2 2 B 32 32 THR CB C 75 71.228 71.913 -0.685 1
1 1562 . 5 2 2 B 32 32 THR N N 75 109.507 111.130 -1.623 1
1 1563 . 5 2 2 B 33 33 LEU H H 76 8.841 8.954 -0.113 1
1 1564 . 5 2 2 B 33 33 LEU HA H 76 3.773 4.014 -0.241 1
1 1574 . 5 2 2 B 33 33 LEU C C 76 178.737 178.754 -0.017 1
1 1575 . 5 2 2 B 33 33 LEU CA C 76 57.892 57.757 0.135 1
1 1576 . 5 2 2 B 33 33 LEU CB C 76 41.057 41.477 -0.420 1
1 1580 . 5 2 2 B 33 33 LEU N N 76 121.099 122.697 -1.598 1
1 1581 . 5 2 2 B 34 34 ASP H H 77 7.983 8.330 -0.347 1
1 1582 . 5 2 2 B 34 34 ASP HA H 77 4.431 4.278 0.153 1
1 1585 . 5 2 2 B 34 34 ASP C C 77 177.088 177.980 -0.892 1
1 1586 . 5 2 2 B 34 34 ASP CA C 77 55.837 57.910 -2.073 1
1 1587 . 5 2 2 B 34 34 ASP CB C 77 40.498 42.097 -1.599 1
1 1588 . 5 2 2 B 34 34 ASP N N 77 113.851 119.758 -5.907 1
1 1589 . 5 2 2 B 35 35 GLU H H 78 7.561 8.195 -0.634 1
1 1590 . 5 2 2 B 35 35 GLU HA H 78 4.320 4.245 0.075 1
1 1595 . 5 2 2 B 35 35 GLU C C 78 175.482 176.994 -1.512 1
1 1596 . 5 2 2 B 35 35 GLU CA C 78 55.918 57.635 -1.717 1
1 1597 . 5 2 2 B 35 35 GLU CB C 78 30.767 29.755 1.012 1
1 1599 . 5 2 2 B 35 35 GLU N N 78 117.508 115.746 1.762 1
1 15 . 6 1 1 A 5 5 ALA H H 2 8.098 8.607 -0.509 1
1 16 . 6 1 1 A 5 5 ALA HA H 2 4.389 4.043 0.346 1
1 20 . 6 1 1 A 5 5 ALA CA C 2 51.852 55.036 -3.184 1
1 21 . 6 1 1 A 5 5 ALA CB C 2 19.420 19.232 0.188 1
1 22 . 6 1 1 A 5 5 ALA N N 2 125.572 123.138 2.434 1
1 23 . 6 1 1 A 6 6 TYR H H 3 8.402 8.269 0.133 1
1 24 . 6 1 1 A 6 6 TYR HA H 3 4.236 4.721 -0.485 1
1 31 . 6 1 1 A 6 6 TYR CA C 3 57.802 56.741 1.061 1
1 32 . 6 1 1 A 6 6 TYR CB C 3 39.608 39.764 -0.156 1
1 35 . 6 1 1 A 6 6 TYR N N 3 120.730 114.401 6.329 1
1 36 . 6 1 1 A 7 7 PHE H H 4 8.958 8.901 0.057 1
1 37 . 6 1 1 A 7 7 PHE HA H 4 4.509 4.851 -0.342 1
1 45 . 6 1 1 A 7 7 PHE CA C 4 57.936 57.828 0.108 1
1 46 . 6 1 1 A 7 7 PHE CB C 4 40.613 40.450 0.163 1
1 50 . 6 1 1 A 7 7 PHE N N 4 118.436 122.624 -4.188 1
1 51 . 6 1 1 A 8 8 LEU H H 5 8.711 8.689 0.022 1
1 52 . 6 1 1 A 8 8 LEU HA H 5 5.336 5.320 0.016 1
1 62 . 6 1 1 A 8 8 LEU CA C 5 53.391 53.803 -0.412 1
1 63 . 6 1 1 A 8 8 LEU CB C 5 44.716 45.834 -1.118 1
1 67 . 6 1 1 A 8 8 LEU N N 5 122.810 122.099 0.711 1
1 68 . 6 1 1 A 9 9 ASP H H 6 9.145 9.119 0.026 1
1 69 . 6 1 1 A 9 9 ASP HA H 6 5.999 5.542 0.457 1
1 72 . 6 1 1 A 9 9 ASP CA C 6 51.759 53.111 -1.352 1
1 73 . 6 1 1 A 9 9 ASP CB C 6 44.757 44.903 -0.146 1
1 74 . 6 1 1 A 9 9 ASP N N 6 124.570 125.735 -1.165 1
1 75 . 6 1 1 A 10 10 PHE H H 7 9.884 9.316 0.568 1
1 76 . 6 1 1 A 10 10 PHE HA H 7 5.231 5.209 0.022 1
1 83 . 6 1 1 A 10 10 PHE CA C 7 55.321 57.069 -1.748 1
1 84 . 6 1 1 A 10 10 PHE CB C 7 42.863 43.022 -0.159 1
1 88 . 6 1 1 A 10 10 PHE N N 7 123.156 119.362 3.794 1
1 89 . 6 1 1 A 11 11 ASP H H 8 8.986 8.647 0.339 1
1 90 . 6 1 1 A 11 11 ASP HA H 8 4.924 4.814 0.110 1
1 93 . 6 1 1 A 11 11 ASP CA C 8 55.122 54.905 0.217 1
1 94 . 6 1 1 A 11 11 ASP CB C 8 44.453 43.020 1.433 1
1 95 . 6 1 1 A 11 11 ASP N N 8 123.103 124.631 -1.528 1
1 96 . 6 1 1 A 12 12 GLU H H 9 9.685 8.916 0.769 1
1 97 . 6 1 1 A 12 12 GLU HA H 9 3.984 4.055 -0.071 1
1 102 . 6 1 1 A 12 12 GLU CA C 9 60.974 59.715 1.259 1
1 103 . 6 1 1 A 12 12 GLU CB C 9 31.222 29.480 1.742 1
1 105 . 6 1 1 A 12 12 GLU N N 9 128.730 125.520 3.210 1
1 106 . 6 1 1 A 13 13 ARG H H 10 9.626 8.159 1.467 1
1 107 . 6 1 1 A 13 13 ARG HA H 10 4.063 4.136 -0.073 1
1 114 . 6 1 1 A 13 13 ARG CA C 10 59.013 58.398 0.615 1
1 115 . 6 1 1 A 13 13 ARG CB C 10 30.124 30.043 0.081 1
1 118 . 6 1 1 A 13 13 ARG N N 10 117.930 118.890 -0.960 1
1 119 . 6 1 1 A 14 14 ALA H H 11 7.268 8.583 -1.315 1
1 120 . 6 1 1 A 14 14 ALA HA H 11 5.323 4.189 1.134 1
1 124 . 6 1 1 A 14 14 ALA CA C 11 53.013 55.120 -2.107 1
1 125 . 6 1 1 A 14 14 ALA CB C 11 18.072 18.666 -0.594 1
1 126 . 6 1 1 A 14 14 ALA N N 11 122.063 123.025 -0.962 1
1 127 . 6 1 1 A 15 15 LEU H H 12 8.773 8.165 0.608 1
1 128 . 6 1 1 A 15 15 LEU HA H 12 4.318 3.071 1.247 1
1 138 . 6 1 1 A 15 15 LEU CA C 12 57.404 57.625 -0.221 1
1 139 . 6 1 1 A 15 15 LEU CB C 12 41.842 41.054 0.788 1
1 143 . 6 1 1 A 15 15 LEU N N 12 121.956 118.892 3.064 1
1 144 . 6 1 1 A 16 16 LYS H H 13 7.515 7.902 -0.387 1
1 145 . 6 1 1 A 16 16 LYS HA H 13 4.099 3.933 0.166 1
1 154 . 6 1 1 A 16 16 LYS CA C 13 59.837 59.000 0.837 1
1 155 . 6 1 1 A 16 16 LYS CB C 13 32.297 32.139 0.158 1
1 159 . 6 1 1 A 16 16 LYS N N 13 118.250 117.731 0.519 1
1 160 . 6 1 1 A 17 17 GLU H H 14 7.416 7.638 -0.222 1
1 161 . 6 1 1 A 17 17 GLU HA H 14 3.959 4.040 -0.081 1
1 166 . 6 1 1 A 17 17 GLU CA C 14 59.458 59.067 0.391 1
1 167 . 6 1 1 A 17 17 GLU CB C 14 29.644 29.226 0.418 1
1 169 . 6 1 1 A 17 17 GLU N N 14 118.330 119.011 -0.681 1
1 170 . 6 1 1 A 18 18 TRP H H 15 9.095 7.752 1.343 1
1 171 . 6 1 1 A 18 18 TRP HA H 15 4.013 4.526 -0.513 1
1 178 . 6 1 1 A 18 18 TRP CA C 15 60.476 59.781 0.695 1
1 179 . 6 1 1 A 18 18 TRP CB C 15 29.644 28.058 1.586 1
1 182 . 6 1 1 A 18 18 TRP N N 15 121.770 118.386 3.384 1
1 183 . 6 1 1 A 19 19 ARG H H 16 8.060 7.229 0.831 1
1 184 . 6 1 1 A 19 19 ARG HA H 16 4.030 4.175 -0.145 1
1 191 . 6 1 1 A 19 19 ARG CA C 16 57.993 58.439 -0.446 1
1 192 . 6 1 1 A 19 19 ARG CB C 16 29.948 30.041 -0.093 1
1 195 . 6 1 1 A 19 19 ARG N N 16 113.396 121.105 -7.709 1
1 196 . 6 1 1 A 20 20 LYS H H 17 7.274 7.612 -0.338 1
1 197 . 6 1 1 A 20 20 LYS HA H 17 4.311 4.445 -0.134 1
1 206 . 6 1 1 A 20 20 LYS CA C 17 57.183 57.450 -0.267 1
1 207 . 6 1 1 A 20 20 LYS CB C 17 32.106 32.602 -0.496 1
1 211 . 6 1 1 A 20 20 LYS N N 17 116.232 115.017 1.215 1
1 212 . 6 1 1 A 21 21 LEU H H 18 7.359 7.256 0.103 1
1 213 . 6 1 1 A 21 21 LEU HA H 18 4.074 4.820 -0.746 1
1 223 . 6 1 1 A 21 21 LEU CA C 18 54.367 53.036 1.331 1
1 224 . 6 1 1 A 21 21 LEU CB C 18 43.185 44.618 -1.433 1
1 228 . 6 1 1 A 21 21 LEU N N 18 119.903 117.121 2.782 1
1 229 . 6 1 1 A 22 22 GLY H H 19 8.455 8.186 0.269 1
1 230 . 6 1 1 A 22 22 GLY HA2 H 19 4.103 4.048 0.055 1
1 231 . 6 1 1 A 22 22 GLY HA3 H 19 3.888 4.083 -0.195 1
1 232 . 6 1 1 A 22 22 GLY CA C 19 44.739 45.417 -0.678 1
1 233 . 6 1 1 A 22 22 GLY N N 19 108.063 107.262 0.801 1
1 234 . 6 1 1 A 23 23 SER H H 20 8.711 8.807 -0.096 1
1 235 . 6 1 1 A 23 23 SER HA H 20 4.422 4.136 0.286 1
1 238 . 6 1 1 A 23 23 SER CA C 20 58.325 62.770 -4.445 1
1 239 . 6 1 1 A 23 23 SER CB C 20 63.754 63.077 0.677 1
1 240 . 6 1 1 A 23 23 SER N N 20 117.509 116.896 0.613 1
1 241 . 6 1 1 A 24 24 THR H H 21 8.273 7.806 0.467 1
1 242 . 6 1 1 A 24 24 THR HA H 21 4.026 3.969 0.057 1
1 247 . 6 1 1 A 24 24 THR CA C 21 65.605 66.427 -0.822 1
1 248 . 6 1 1 A 24 24 THR CB C 21 68.013 68.074 -0.061 1
1 250 . 6 1 1 A 24 24 THR N N 21 116.047 118.163 -2.116 1
1 251 . 6 1 1 A 25 25 VAL H H 22 7.075 7.880 -0.805 1
1 252 . 6 1 1 A 25 25 VAL HA H 22 3.507 3.411 0.096 1
1 260 . 6 1 1 A 25 25 VAL CA C 22 65.475 66.764 -1.289 1
1 261 . 6 1 1 A 25 25 VAL CB C 22 31.319 31.400 -0.081 1
1 264 . 6 1 1 A 25 25 VAL N N 22 122.543 121.757 0.786 1
1 265 . 6 1 1 A 26 26 ARG H H 23 7.781 7.975 -0.194 1
1 266 . 6 1 1 A 26 26 ARG HA H 23 3.116 4.026 -0.910 1
1 273 . 6 1 1 A 26 26 ARG CA C 23 60.215 58.257 1.958 1
1 274 . 6 1 1 A 26 26 ARG CB C 23 30.555 29.709 0.846 1
1 277 . 6 1 1 A 26 26 ARG N N 23 118.490 119.658 -1.168 1
1 278 . 6 1 1 A 27 27 GLU H H 24 8.107 8.253 -0.146 1
1 279 . 6 1 1 A 27 27 GLU HA H 24 4.031 4.092 -0.061 1
1 284 . 6 1 1 A 27 27 GLU CA C 24 59.421 58.951 0.470 1
1 285 . 6 1 1 A 27 27 GLU CB C 24 29.126 29.360 -0.234 1
1 287 . 6 1 1 A 27 27 GLU N N 24 116.756 118.803 -2.047 1
1 288 . 6 1 1 A 28 28 GLN H H 25 7.760 7.545 0.215 1
1 289 . 6 1 1 A 28 28 GLN HA H 25 4.097 4.000 0.097 1
1 296 . 6 1 1 A 28 28 GLN CA C 25 59.055 58.956 0.099 1
1 297 . 6 1 1 A 28 28 GLN CB C 25 29.925 28.240 1.685 1
1 299 . 6 1 1 A 28 28 GLN N N 25 118.410 119.263 -0.853 1
1 301 . 6 1 1 A 29 29 LEU H H 26 8.631 8.256 0.375 1
1 302 . 6 1 1 A 29 29 LEU HA H 26 4.145 3.935 0.210 1
1 312 . 6 1 1 A 29 29 LEU CA C 26 57.929 57.944 -0.015 1
1 313 . 6 1 1 A 29 29 LEU CB C 26 42.787 41.621 1.166 1
1 317 . 6 1 1 A 29 29 LEU N N 26 119.716 120.265 -0.549 1
1 318 . 6 1 1 A 30 30 LYS H H 27 9.183 7.942 1.241 1
1 319 . 6 1 1 A 30 30 LYS HA H 27 3.981 4.001 -0.020 1
1 328 . 6 1 1 A 30 30 LYS CA C 27 61.364 59.437 1.927 1
1 329 . 6 1 1 A 30 30 LYS CB C 27 32.137 31.821 0.316 1
1 333 . 6 1 1 A 30 30 LYS N N 27 120.836 117.898 2.938 1
1 334 . 6 1 1 A 31 31 LYS H H 28 7.580 7.353 0.227 1
1 335 . 6 1 1 A 31 31 LYS HA H 28 4.050 4.058 -0.008 1
1 344 . 6 1 1 A 31 31 LYS CA C 28 59.586 59.632 -0.046 1
1 345 . 6 1 1 A 31 31 LYS CB C 28 32.373 31.950 0.423 1
1 349 . 6 1 1 A 31 31 LYS N N 28 116.783 119.649 -2.866 1
1 350 . 6 1 1 A 32 32 LYS H H 29 7.300 7.395 -0.095 1
1 351 . 6 1 1 A 32 32 LYS HA H 29 4.090 4.312 -0.222 1
1 360 . 6 1 1 A 32 32 LYS CA C 29 57.130 58.678 -1.548 1
1 361 . 6 1 1 A 32 32 LYS N N 29 116.383 119.227 -2.844 1
1 362 . 6 1 1 A 33 33 LEU H H 30 8.722 8.058 0.664 1
1 363 . 6 1 1 A 33 33 LEU HA H 30 3.881 3.984 -0.103 1
1 373 . 6 1 1 A 33 33 LEU CA C 30 57.634 57.562 0.072 1
1 374 . 6 1 1 A 33 33 LEU CB C 30 42.116 41.484 0.632 1
1 378 . 6 1 1 A 33 33 LEU N N 30 121.770 120.737 1.033 1
1 379 . 6 1 1 A 34 34 VAL H H 31 8.067 7.725 0.342 1
1 380 . 6 1 1 A 34 34 VAL HA H 31 3.479 3.815 -0.336 1
1 388 . 6 1 1 A 34 34 VAL CA C 31 66.847 64.344 2.503 1
1 389 . 6 1 1 A 34 34 VAL CB C 31 31.860 31.621 0.239 1
1 392 . 6 1 1 A 34 34 VAL N N 31 118.116 118.546 -0.430 1
1 393 . 6 1 1 A 35 35 GLU H H 32 6.825 8.189 -1.364 1
1 394 . 6 1 1 A 35 35 GLU HA H 32 4.090 4.179 -0.089 1
1 399 . 6 1 1 A 35 35 GLU CA C 32 58.624 58.169 0.455 1
1 400 . 6 1 1 A 35 35 GLU CB C 32 29.746 29.772 -0.026 1
1 402 . 6 1 1 A 35 35 GLU N N 32 116.570 120.081 -3.511 1
1 403 . 6 1 1 A 36 36 VAL H H 33 7.785 7.642 0.143 1
1 404 . 6 1 1 A 36 36 VAL HA H 33 3.484 3.729 -0.245 1
1 412 . 6 1 1 A 36 36 VAL CA C 33 65.213 64.622 0.591 1
1 413 . 6 1 1 A 36 36 VAL CB C 33 31.932 31.387 0.545 1
1 416 . 6 1 1 A 36 36 VAL N N 33 120.618 120.081 0.537 1
1 417 . 6 1 1 A 37 37 LEU H H 34 7.956 7.386 0.570 1
1 418 . 6 1 1 A 37 37 LEU HA H 34 3.747 4.133 -0.386 1
1 428 . 6 1 1 A 37 37 LEU CA C 34 57.069 55.945 1.124 1
1 429 . 6 1 1 A 37 37 LEU CB C 34 40.916 41.604 -0.688 1
1 433 . 6 1 1 A 37 37 LEU N N 34 115.476 121.326 -5.850 1
1 434 . 6 1 1 A 38 38 GLU H H 35 7.042 7.661 -0.619 1
1 435 . 6 1 1 A 38 38 GLU HA H 35 4.395 4.321 0.074 1
1 440 . 6 1 1 A 38 38 GLU CA C 35 57.553 57.828 -0.275 1
1 441 . 6 1 1 A 38 38 GLU CB C 35 30.234 31.177 -0.943 1
1 443 . 6 1 1 A 38 38 GLU N N 35 114.356 119.530 -5.174 1
1 444 . 6 1 1 A 39 39 SER H H 36 7.125 7.321 -0.196 1
1 445 . 6 1 1 A 39 39 SER HA H 36 4.593 4.656 -0.063 1
1 448 . 6 1 1 A 39 39 SER CA C 36 55.308 55.370 -0.062 1
1 449 . 6 1 1 A 39 39 SER CB C 36 62.305 63.702 -1.397 1
1 450 . 6 1 1 A 39 39 SER N N 36 109.796 109.613 0.183 1
1 451 . 6 1 1 A 40 40 PRO HA H 37 4.360 4.433 -0.073 1
1 458 . 6 1 1 A 40 40 PRO CA C 37 64.802 63.567 1.235 1
1 459 . 6 1 1 A 40 40 PRO CB C 37 32.562 32.540 0.022 1
1 462 . 6 1 1 A 41 41 ARG H H 38 8.356 8.063 0.293 1
1 463 . 6 1 1 A 41 41 ARG HA H 38 3.271 3.550 -0.279 1
1 470 . 6 1 1 A 41 41 ARG CA C 38 56.364 54.882 1.482 1
1 471 . 6 1 1 A 41 41 ARG CB C 38 29.580 29.746 -0.166 1
1 474 . 6 1 1 A 41 41 ARG N N 38 120.882 119.868 1.014 1
1 475 . 6 1 1 A 42 42 ILE H H 39 5.973 7.707 -1.734 1
1 476 . 6 1 1 A 42 42 ILE HA H 39 4.216 4.377 -0.161 1
1 486 . 6 1 1 A 42 42 ILE CA C 39 60.301 60.623 -0.322 1
1 487 . 6 1 1 A 42 42 ILE CB C 39 38.705 37.326 1.379 1
1 491 . 6 1 1 A 42 42 ILE N N 39 127.866 126.326 1.540 1
1 492 . 6 1 1 A 43 43 GLU H H 40 8.860 8.875 -0.015 1
1 493 . 6 1 1 A 43 43 GLU HA H 40 4.218 4.336 -0.118 1
1 498 . 6 1 1 A 43 43 GLU CA C 40 59.945 58.515 1.430 1
1 499 . 6 1 1 A 43 43 GLU CB C 40 29.040 28.961 0.079 1
1 501 . 6 1 1 A 43 43 GLU N N 40 129.498 126.059 3.439 1
1 502 . 6 1 1 A 44 44 ALA H H 41 8.827 7.700 1.127 1
1 503 . 6 1 1 A 44 44 ALA HA H 41 4.241 4.213 0.028 1
1 507 . 6 1 1 A 44 44 ALA CA C 41 54.035 53.161 0.874 1
1 508 . 6 1 1 A 44 44 ALA CB C 41 18.466 19.220 -0.754 1
1 509 . 6 1 1 A 44 44 ALA N N 41 119.919 122.112 -2.193 1
1 510 . 6 1 1 A 45 45 ASN H H 42 8.184 8.377 -0.193 1
1 511 . 6 1 1 A 45 45 ASN HA H 42 5.082 4.928 0.154 1
1 516 . 6 1 1 A 45 45 ASN CA C 42 51.401 53.042 -1.641 1
1 517 . 6 1 1 A 45 45 ASN CB C 42 38.684 39.532 -0.848 1
1 518 . 6 1 1 A 45 45 ASN N N 42 114.675 114.326 0.349 1
1 520 . 6 1 1 A 46 46 LYS H H 43 7.515 7.394 0.121 1
1 521 . 6 1 1 A 46 46 LYS HA H 43 3.741 4.192 -0.451 1
1 530 . 6 1 1 A 46 46 LYS CA C 43 57.354 56.034 1.320 1
1 531 . 6 1 1 A 46 46 LYS CB C 43 32.905 32.264 0.641 1
1 535 . 6 1 1 A 46 46 LYS N N 43 122.167 118.265 3.902 1
1 536 . 6 1 1 A 47 47 LEU H H 44 8.184 8.349 -0.165 1
1 537 . 6 1 1 A 47 47 LEU HA H 44 4.297 4.145 0.152 1
1 547 . 6 1 1 A 47 47 LEU CA C 44 53.422 55.479 -2.057 1
1 548 . 6 1 1 A 47 47 LEU CB C 44 42.208 42.065 0.143 1
1 552 . 6 1 1 A 47 47 LEU N N 44 127.544 123.926 3.618 1
1 553 . 6 1 1 A 48 48 ARG H H 45 8.706 8.593 0.113 1
1 554 . 6 1 1 A 48 48 ARG HA H 45 3.918 4.450 -0.532 1
1 561 . 6 1 1 A 48 48 ARG CA C 45 57.765 56.299 1.466 1
1 562 . 6 1 1 A 48 48 ARG CB C 45 29.686 29.854 -0.168 1
1 565 . 6 1 1 A 48 48 ARG N N 45 128.641 123.932 4.709 1
1 566 . 6 1 1 A 49 49 GLY H H 46 8.543 8.202 0.341 1
1 567 . 6 1 1 A 49 49 GLY HA2 H 46 4.129 3.976 0.153 1
1 568 . 6 1 1 A 49 49 GLY HA3 H 46 3.662 3.979 -0.317 1
1 569 . 6 1 1 A 49 49 GLY CA C 46 44.981 45.286 -0.305 1
1 570 . 6 1 1 A 49 49 GLY N N 46 110.474 112.696 -2.222 1
1 571 . 6 1 1 A 50 50 MET H H 47 7.404 7.550 -0.146 1
1 572 . 6 1 1 A 50 50 MET HA H 47 5.226 4.799 0.427 1
1 580 . 6 1 1 A 50 50 MET CA C 47 50.824 52.467 -1.643 1
1 581 . 6 1 1 A 50 50 MET CB C 47 33.186 32.942 0.244 1
1 584 . 6 1 1 A 50 50 MET N N 47 118.742 119.553 -0.811 1
1 585 . 6 1 1 A 51 51 PRO HA H 48 4.344 4.272 0.072 1
1 592 . 6 1 1 A 51 51 PRO CA C 48 63.591 64.245 -0.654 1
1 593 . 6 1 1 A 51 51 PRO CB C 48 31.942 31.869 0.073 1
1 596 . 6 1 1 A 52 52 ASP H H 49 8.703 8.401 0.302 1
1 597 . 6 1 1 A 52 52 ASP HA H 49 4.392 4.573 -0.181 1
1 600 . 6 1 1 A 52 52 ASP CA C 49 56.244 53.706 2.538 1
1 601 . 6 1 1 A 52 52 ASP N N 49 116.361 114.950 1.411 1
1 602 . 6 1 1 A 53 53 CYS H H 50 7.456 7.221 0.235 1
1 603 . 6 1 1 A 53 53 CYS HA H 50 5.799 5.078 0.721 1
1 606 . 6 1 1 A 53 53 CYS CA C 50 58.147 56.872 1.275 1
1 607 . 6 1 1 A 53 53 CYS CB C 50 30.953 29.409 1.544 1
1 608 . 6 1 1 A 53 53 CYS N N 50 114.086 118.124 -4.038 1
1 609 . 6 1 1 A 54 54 TYR H H 51 8.939 8.732 0.207 1
1 610 . 6 1 1 A 54 54 TYR HA H 51 4.662 5.110 -0.448 1
1 617 . 6 1 1 A 54 54 TYR CA C 51 56.444 56.399 0.045 1
1 618 . 6 1 1 A 54 54 TYR CB C 51 43.000 42.842 0.158 1
1 620 . 6 1 1 A 54 54 TYR N N 51 120.722 121.753 -1.031 1
1 621 . 6 1 1 A 55 55 LYS H H 52 8.665 8.745 -0.080 1
1 622 . 6 1 1 A 55 55 LYS HA H 52 5.456 5.558 -0.102 1
1 631 . 6 1 1 A 55 55 LYS CA C 52 53.968 54.517 -0.549 1
1 632 . 6 1 1 A 55 55 LYS CB C 52 36.126 36.924 -0.798 1
1 636 . 6 1 1 A 55 55 LYS N N 52 117.297 117.294 0.003 1
1 637 . 6 1 1 A 56 56 ILE H H 53 9.272 8.638 0.634 1
1 638 . 6 1 1 A 56 56 ILE HA H 53 4.428 4.972 -0.544 1
1 648 . 6 1 1 A 56 56 ILE CA C 53 60.803 59.574 1.229 1
1 649 . 6 1 1 A 56 56 ILE CB C 53 40.849 42.105 -1.256 1
1 653 . 6 1 1 A 56 56 ILE N N 53 122.006 121.201 0.805 1
1 654 . 6 1 1 A 57 57 LYS H H 54 8.745 9.046 -0.301 1
1 655 . 6 1 1 A 57 57 LYS HA H 54 5.093 5.035 0.058 1
1 664 . 6 1 1 A 57 57 LYS CA C 54 54.227 54.380 -0.153 1
1 665 . 6 1 1 A 57 57 LYS CB C 54 35.595 36.188 -0.593 1
1 669 . 6 1 1 A 57 57 LYS N N 54 125.752 124.571 1.181 1
1 670 . 6 1 1 A 58 58 LEU H H 55 8.543 9.116 -0.573 1
1 671 . 6 1 1 A 58 58 LEU HA H 55 4.788 4.500 0.288 1
1 681 . 6 1 1 A 58 58 LEU CA C 55 53.151 54.845 -1.694 1
1 682 . 6 1 1 A 58 58 LEU CB C 55 41.238 41.298 -0.060 1
1 686 . 6 1 1 A 58 58 LEU N N 55 124.173 124.841 -0.668 1
1 687 . 6 1 1 A 59 59 ARG HA H 56 4.039 4.092 -0.053 1
1 694 . 6 1 1 A 59 59 ARG CA C 56 59.531 58.379 1.152 1
1 695 . 6 1 1 A 59 59 ARG CB C 56 32.180 29.982 2.198 1
1 698 . 6 1 1 A 60 60 SER HA H 57 4.335 4.411 -0.076 1
1 701 . 6 1 1 A 60 60 SER CA C 57 60.035 60.693 -0.658 1
1 702 . 6 1 1 A 60 60 SER CB C 57 62.551 63.814 -1.263 1
1 703 . 6 1 1 A 61 61 SER H H 58 7.605 7.956 -0.351 1
1 704 . 6 1 1 A 61 61 SER HA H 58 4.604 4.630 -0.026 1
1 707 . 6 1 1 A 61 61 SER CA C 58 58.122 59.232 -1.110 1
1 708 . 6 1 1 A 61 61 SER CB C 58 64.520 64.917 -0.397 1
1 709 . 6 1 1 A 61 61 SER N N 58 112.447 113.036 -0.589 1
1 710 . 6 1 1 A 62 62 GLY H H 59 8.214 8.758 -0.544 1
1 711 . 6 1 1 A 62 62 GLY HA2 H 59 4.091 3.888 0.203 1
1 712 . 6 1 1 A 62 62 GLY HA3 H 59 3.824 3.905 -0.081 1
1 713 . 6 1 1 A 62 62 GLY CA C 59 45.562 45.784 -0.222 1
1 714 . 6 1 1 A 62 62 GLY N N 59 108.976 109.701 -0.725 1
1 715 . 6 1 1 A 63 63 TYR H H 60 7.283 8.127 -0.844 1
1 716 . 6 1 1 A 63 63 TYR HA H 60 4.619 4.672 -0.053 1
1 723 . 6 1 1 A 63 63 TYR CA C 60 60.412 57.837 2.575 1
1 724 . 6 1 1 A 63 63 TYR CB C 60 40.339 40.680 -0.341 1
1 727 . 6 1 1 A 63 63 TYR N N 60 117.859 119.768 -1.909 1
1 728 . 6 1 1 A 64 64 ARG H H 61 9.296 9.249 0.047 1
1 729 . 6 1 1 A 64 64 ARG HA H 61 5.634 5.459 0.175 1
1 736 . 6 1 1 A 64 64 ARG CA C 61 54.114 54.698 -0.584 1
1 737 . 6 1 1 A 64 64 ARG CB C 61 33.245 34.750 -1.505 1
1 740 . 6 1 1 A 64 64 ARG N N 61 117.912 119.049 -1.137 1
1 741 . 6 1 1 A 65 65 LEU H H 62 9.077 8.927 0.150 1
1 742 . 6 1 1 A 65 65 LEU HA H 62 5.459 5.157 0.302 1
1 752 . 6 1 1 A 65 65 LEU CA C 62 54.114 54.441 -0.327 1
1 753 . 6 1 1 A 65 65 LEU CB C 62 46.977 45.876 1.101 1
1 757 . 6 1 1 A 65 65 LEU N N 62 123.590 122.003 1.587 1
1 758 . 6 1 1 A 66 66 VAL H H 63 8.729 8.955 -0.226 1
1 759 . 6 1 1 A 66 66 VAL HA H 63 5.206 4.903 0.303 1
1 767 . 6 1 1 A 66 66 VAL CA C 63 60.112 60.851 -0.739 1
1 768 . 6 1 1 A 66 66 VAL CB C 63 34.296 33.118 1.178 1
1 771 . 6 1 1 A 66 66 VAL N N 63 123.237 126.056 -2.819 1
1 772 . 6 1 1 A 67 67 TYR H H 64 8.976 8.711 0.265 1
1 773 . 6 1 1 A 67 67 TYR HA H 64 5.745 5.328 0.417 1
1 780 . 6 1 1 A 67 67 TYR CA C 64 53.968 55.409 -1.441 1
1 781 . 6 1 1 A 67 67 TYR CB C 64 42.534 41.611 0.923 1
1 784 . 6 1 1 A 67 67 TYR N N 64 124.227 123.604 0.623 1
1 785 . 6 1 1 A 68 68 GLN H H 65 9.696 8.992 0.704 1
1 786 . 6 1 1 A 68 68 GLN HA H 65 5.640 5.201 0.439 1
1 793 . 6 1 1 A 68 68 GLN CA C 65 52.933 54.016 -1.083 1
1 794 . 6 1 1 A 68 68 GLN CB C 65 33.585 32.360 1.225 1
1 796 . 6 1 1 A 68 68 GLN N N 65 122.541 120.083 2.458 1
1 798 . 6 1 1 A 69 69 VAL H H 66 9.050 9.148 -0.098 1
1 799 . 6 1 1 A 69 69 VAL HA H 66 4.513 4.682 -0.169 1
1 807 . 6 1 1 A 69 69 VAL CA C 66 62.534 61.954 0.580 1
1 808 . 6 1 1 A 69 69 VAL CB C 66 33.052 32.949 0.103 1
1 811 . 6 1 1 A 69 69 VAL N N 66 127.437 125.587 1.850 1
1 812 . 6 1 1 A 70 70 ILE H H 67 9.385 9.074 0.311 1
1 813 . 6 1 1 A 70 70 ILE HA H 67 4.475 4.547 -0.072 1
1 823 . 6 1 1 A 70 70 ILE CA C 67 59.863 60.772 -0.909 1
1 824 . 6 1 1 A 70 70 ILE CB C 67 37.487 38.053 -0.566 1
1 828 . 6 1 1 A 70 70 ILE N N 67 129.296 127.498 1.798 1
1 829 . 6 1 1 A 71 71 ASP H H 68 9.343 9.140 0.203 1
1 830 . 6 1 1 A 71 71 ASP HA H 68 4.595 4.682 -0.087 1
1 833 . 6 1 1 A 71 71 ASP CA C 68 58.841 56.174 2.667 1
1 834 . 6 1 1 A 71 71 ASP CB C 68 40.637 40.725 -0.088 1
1 835 . 6 1 1 A 71 71 ASP N N 68 128.749 128.827 -0.078 1
1 836 . 6 1 1 A 72 72 GLU H H 69 9.718 8.836 0.882 1
1 837 . 6 1 1 A 72 72 GLU HA H 69 4.124 4.076 0.048 1
1 842 . 6 1 1 A 72 72 GLU CA C 69 59.335 59.307 0.028 1
1 843 . 6 1 1 A 72 72 GLU CB C 69 29.131 29.078 0.053 1
1 845 . 6 1 1 A 72 72 GLU N N 69 118.929 117.277 1.652 1
1 846 . 6 1 1 A 73 73 LYS H H 70 6.653 7.752 -1.099 1
1 847 . 6 1 1 A 73 73 LYS HA H 70 4.517 4.413 0.104 1
1 856 . 6 1 1 A 73 73 LYS CA C 70 54.587 56.028 -1.441 1
1 857 . 6 1 1 A 73 73 LYS CB C 70 33.843 33.630 0.213 1
1 861 . 6 1 1 A 73 73 LYS N N 70 114.113 117.400 -3.287 1
1 862 . 6 1 1 A 74 74 VAL H H 71 7.832 7.584 0.248 1
1 863 . 6 1 1 A 74 74 VAL HA H 71 3.012 3.550 -0.538 1
1 871 . 6 1 1 A 74 74 VAL CA C 71 63.090 63.069 0.021 1
1 872 . 6 1 1 A 74 74 VAL CB C 71 29.226 29.082 0.144 1
1 875 . 6 1 1 A 74 74 VAL N N 71 119.223 116.426 2.797 1
1 876 . 6 1 1 A 75 75 VAL H H 72 7.732 7.820 -0.088 1
1 877 . 6 1 1 A 75 75 VAL HA H 72 4.950 5.443 -0.493 1
1 885 . 6 1 1 A 75 75 VAL CA C 72 60.455 59.343 1.112 1
1 886 . 6 1 1 A 75 75 VAL CB C 72 37.925 36.311 1.614 1
1 889 . 6 1 1 A 75 75 VAL N N 72 117.190 116.358 0.832 1
1 890 . 6 1 1 A 76 76 VAL H H 73 9.026 8.857 0.169 1
1 891 . 6 1 1 A 76 76 VAL HA H 73 4.349 4.577 -0.228 1
1 899 . 6 1 1 A 76 76 VAL CA C 73 62.527 61.452 1.075 1
1 900 . 6 1 1 A 76 76 VAL CB C 73 32.882 32.229 0.653 1
1 903 . 6 1 1 A 76 76 VAL N N 73 128.347 123.169 5.178 1
1 904 . 6 1 1 A 77 77 PHE H H 74 9.629 9.045 0.584 1
1 905 . 6 1 1 A 77 77 PHE HA H 74 5.898 5.087 0.811 1
1 913 . 6 1 1 A 77 77 PHE CA C 74 51.863 56.164 -4.301 1
1 914 . 6 1 1 A 77 77 PHE CB C 74 40.214 40.406 -0.192 1
1 918 . 6 1 1 A 77 77 PHE N N 74 128.802 129.023 -0.221 1
1 919 . 6 1 1 A 78 78 VAL H H 75 9.535 8.707 0.828 1
1 920 . 6 1 1 A 78 78 VAL HA H 75 3.712 3.829 -0.117 1
1 928 . 6 1 1 A 78 78 VAL CA C 75 63.939 63.210 0.729 1
1 929 . 6 1 1 A 78 78 VAL CB C 75 31.079 31.101 -0.022 1
1 932 . 6 1 1 A 78 78 VAL N N 75 128.588 127.457 1.131 1
1 933 . 6 1 1 A 79 79 ILE H H 76 8.515 8.776 -0.261 1
1 934 . 6 1 1 A 79 79 ILE HA H 76 3.443 3.717 -0.274 1
1 944 . 6 1 1 A 79 79 ILE CA C 76 61.950 62.465 -0.515 1
1 945 . 6 1 1 A 79 79 ILE CB C 76 40.800 38.224 2.576 1
1 949 . 6 1 1 A 79 79 ILE N N 76 126.287 128.818 -2.531 1
1 950 . 6 1 1 A 80 80 SER H H 77 7.180 7.171 0.009 1
1 951 . 6 1 1 A 80 80 SER HA H 77 4.506 4.805 -0.299 1
1 954 . 6 1 1 A 80 80 SER CA C 77 57.464 57.505 -0.041 1
1 955 . 6 1 1 A 80 80 SER CB C 77 64.912 65.141 -0.229 1
1 956 . 6 1 1 A 80 80 SER N N 77 111.625 112.159 -0.534 1
1 957 . 6 1 1 A 81 81 VAL H H 78 8.641 8.422 0.219 1
1 958 . 6 1 1 A 81 81 VAL HA H 78 5.066 5.110 -0.044 1
1 966 . 6 1 1 A 81 81 VAL CA C 78 60.913 60.676 0.237 1
1 967 . 6 1 1 A 81 81 VAL CB C 78 35.010 35.502 -0.492 1
1 970 . 6 1 1 A 81 81 VAL N N 78 126.742 122.975 3.767 1
1 971 . 6 1 1 A 82 82 GLY H H 79 8.658 8.390 0.268 1
1 972 . 6 1 1 A 82 82 GLY HA2 H 79 4.370 4.313 0.057 1
1 973 . 6 1 1 A 82 82 GLY HA3 H 79 4.160 4.518 -0.358 1
1 974 . 6 1 1 A 82 82 GLY CA C 79 46.036 44.806 1.230 1
1 975 . 6 1 1 A 82 82 GLY N N 79 111.223 111.410 -0.187 1
1 976 . 6 1 1 A 83 83 LYS H H 80 8.569 8.238 0.331 1
1 977 . 6 1 1 A 83 83 LYS HA H 80 4.369 4.769 -0.400 1
1 986 . 6 1 1 A 83 83 LYS CA C 80 54.855 54.529 0.326 1
1 987 . 6 1 1 A 83 83 LYS CB C 80 34.866 34.900 -0.034 1
1 991 . 6 1 1 A 83 83 LYS N N 80 121.257 121.715 -0.458 1
1 992 . 6 1 1 A 84 84 ALA H H 81 8.334 8.504 -0.170 1
1 993 . 6 1 1 A 84 84 ALA HA H 81 4.274 4.702 -0.428 1
1 997 . 6 1 1 A 84 84 ALA CA C 81 52.003 50.621 1.382 1
1 998 . 6 1 1 A 84 84 ALA CB C 81 19.185 22.882 -3.697 1
1 999 . 6 1 1 A 84 84 ALA N N 81 126.662 123.967 2.695 1
1 1000 . 6 1 1 A 85 85 GLU H H 82 8.638 9.089 -0.451 1
1 1001 . 6 1 1 A 85 85 GLU HA H 82 4.214 4.060 0.154 1
1 1006 . 6 1 1 A 85 85 GLU CA C 82 56.366 57.691 -1.325 1
1 1007 . 6 1 1 A 85 85 GLU CB C 82 30.238 29.540 0.698 1
1 1009 . 6 1 1 A 85 85 GLU N N 82 121.819 119.496 2.323 1
1 1010 . 6 1 1 A 86 86 ALA H H 83 8.462 7.819 0.643 1
1 1011 . 6 1 1 A 86 86 ALA HA H 83 4.341 4.604 -0.263 1
1 1015 . 6 1 1 A 86 86 ALA CA C 83 52.156 51.455 0.701 1
1 1016 . 6 1 1 A 86 86 ALA CB C 83 19.206 20.461 -1.255 1
1 1017 . 6 1 1 A 86 86 ALA N N 83 125.350 119.965 5.385 1
1 1018 . 6 1 1 A 87 87 SER H H 84 8.309 8.255 0.054 1
1 1019 . 6 1 1 A 87 87 SER HA H 84 4.400 4.412 -0.012 1
1 1022 . 6 1 1 A 87 87 SER CA C 84 58.058 60.288 -2.230 1
1 1023 . 6 1 1 A 87 87 SER CB C 84 63.845 64.011 -0.166 1
1 1024 . 6 1 1 A 87 87 SER N N 84 115.397 112.845 2.552 1
1 1025 . 6 1 1 A 88 88 GLU H H 85 8.443 7.766 0.677 1
1 1026 . 6 1 1 A 88 88 GLU HA H 85 4.318 4.830 -0.512 1
1 1031 . 6 1 1 A 88 88 GLU CA C 85 56.465 55.895 0.570 1
1 1032 . 6 1 1 A 88 88 GLU CB C 85 30.464 31.615 -1.151 1
1 1034 . 6 1 1 A 88 88 GLU N N 85 122.947 114.810 8.137 1
1 1035 . 6 1 1 A 89 89 VAL H H 86 8.098 8.577 -0.479 1
1 1036 . 6 1 1 A 89 89 VAL HA H 86 4.044 4.177 -0.133 1
1 1044 . 6 1 1 A 89 89 VAL CA C 86 62.293 63.799 -1.506 1
1 1045 . 6 1 1 A 89 89 VAL CB C 86 32.703 32.582 0.121 1
1 1048 . 6 1 1 A 89 89 VAL N N 86 120.884 124.911 -4.027 1
1 1049 . 6 1 1 A 90 90 TYR H H 87 8.313 8.313 0.000 1
1 1050 . 6 1 1 A 90 90 TYR HA H 87 4.623 4.483 0.140 1
1 1057 . 6 1 1 A 90 90 TYR CA C 87 57.791 58.473 -0.682 1
1 1058 . 6 1 1 A 90 90 TYR CB C 87 38.795 37.473 1.322 1
1 1061 . 6 1 1 A 90 90 TYR N N 87 124.634 120.934 3.700 1
1 1062 . 6 1 1 A 91 91 SER H H 88 8.140 7.902 0.238 1
1 1063 . 6 1 1 A 91 91 SER HA H 88 4.411 3.733 0.678 1
1 1066 . 6 1 1 A 91 91 SER CA C 88 58.396 61.494 -3.098 1
1 1067 . 6 1 1 A 91 91 SER CB C 88 63.703 62.698 1.005 1
1 1068 . 6 1 1 A 91 91 SER N N 88 118.447 117.158 1.289 1
1 1069 . 6 1 1 A 92 92 GLU H H 89 8.400 8.399 0.001 1
1 1070 . 6 1 1 A 92 92 GLU HA H 89 4.245 4.168 0.077 1
1 1075 . 6 1 1 A 92 92 GLU CA C 89 56.465 57.873 -1.408 1
1 1076 . 6 1 1 A 92 92 GLU CB C 89 29.471 28.316 1.155 1
1 1078 . 6 1 1 A 92 92 GLU N N 89 122.947 117.203 5.744 1
1 1079 . 6 1 1 A 93 93 ALA H H 90 8.224 7.755 0.469 1
1 1080 . 6 1 1 A 93 93 ALA HA H 90 4.287 4.662 -0.375 1
1 1084 . 6 1 1 A 93 93 ALA CA C 90 52.598 50.595 2.003 1
1 1085 . 6 1 1 A 93 93 ALA CB C 90 18.864 20.201 -1.337 1
1 1086 . 6 1 1 A 93 93 ALA N N 90 124.404 122.136 2.268 1
1 1087 . 6 1 1 A 94 94 VAL H H 91 7.971 8.441 -0.470 1
1 1088 . 6 1 1 A 94 94 VAL HA H 91 4.060 4.181 -0.121 1
1 1096 . 6 1 1 A 94 94 VAL CA C 91 62.072 62.245 -0.173 1
1 1097 . 6 1 1 A 94 94 VAL CB C 91 32.601 32.846 -0.245 1
1 1100 . 6 1 1 A 94 94 VAL N N 91 119.330 122.016 -2.686 1
1 1101 . 6 1 1 A 95 95 LYS H H 92 8.271 8.887 -0.616 1
1 1102 . 6 1 1 A 95 95 LYS HA H 92 4.313 4.070 0.243 1
1 1111 . 6 1 1 A 95 95 LYS CA C 92 56.078 58.672 -2.594 1
1 1112 . 6 1 1 A 95 95 LYS CB C 92 32.924 32.035 0.889 1
1 1116 . 6 1 1 A 95 95 LYS N N 92 124.941 121.696 3.245 1
1 1117 . 6 1 1 A 96 96 ARG H H 93 8.317 7.748 0.569 1
1 1118 . 6 1 1 A 96 96 ARG HA H 93 4.360 4.268 0.092 1
1 1125 . 6 1 1 A 96 96 ARG CA C 93 55.901 57.819 -1.918 1
1 1126 . 6 1 1 A 96 96 ARG CB C 93 30.906 30.777 0.129 1
1 1129 . 6 1 1 A 96 96 ARG N N 93 122.918 119.666 3.252 1
1 1130 . 6 1 1 A 97 97 ILE H H 94 8.251 8.140 0.111 1
1 1131 . 6 1 1 A 97 97 ILE HA H 94 4.184 3.787 0.397 1
1 1141 . 6 1 1 A 97 97 ILE CA C 94 60.946 64.089 -3.143 1
1 1142 . 6 1 1 A 97 97 ILE CB C 94 38.298 36.113 2.185 1
1 1146 . 6 1 1 A 97 97 ILE N N 94 123.301 118.899 4.402 1
1 1191 . 6 2 2 B 5 5 GLN H H 48 8.533 8.562 -0.029 1
1 1192 . 6 2 2 B 5 5 GLN HA H 48 4.390 4.956 -0.566 1
1 1199 . 6 2 2 B 5 5 GLN C C 48 175.953 174.176 1.777 1
1 1200 . 6 2 2 B 5 5 GLN CA C 48 55.760 54.482 1.278 1
1 1201 . 6 2 2 B 5 5 GLN CB C 48 29.225 32.147 -2.922 1
1 1203 . 6 2 2 B 5 5 GLN N N 48 122.121 121.247 0.874 1
1 1205 . 6 2 2 B 6 6 THR H H 49 8.281 8.573 -0.292 1
1 1206 . 6 2 2 B 6 6 THR HA H 49 4.316 4.885 -0.569 1
1 1211 . 6 2 2 B 6 6 THR C C 49 174.156 174.332 -0.176 1
1 1212 . 6 2 2 B 6 6 THR CA C 49 61.724 60.883 0.841 1
1 1213 . 6 2 2 B 6 6 THR CB C 49 69.452 69.634 -0.182 1
1 1215 . 6 2 2 B 6 6 THR N N 49 116.639 113.666 2.973 1
1 1216 . 6 2 2 B 7 7 LEU H H 50 8.328 8.917 -0.589 1
1 1217 . 6 2 2 B 7 7 LEU HA H 50 4.381 4.513 -0.132 1
1 1227 . 6 2 2 B 7 7 LEU C C 50 176.985 176.364 0.621 1
1 1228 . 6 2 2 B 7 7 LEU CA C 50 55.093 54.401 0.692 1
1 1229 . 6 2 2 B 7 7 LEU CB C 50 42.122 42.609 -0.487 1
1 1233 . 6 2 2 B 7 7 LEU N N 50 125.001 128.373 -3.372 1
1 1234 . 6 2 2 B 8 8 LEU H H 51 8.264 7.683 0.581 1
1 1235 . 6 2 2 B 8 8 LEU HA H 51 4.410 4.902 -0.492 1
1 1245 . 6 2 2 B 8 8 LEU C C 51 177.235 175.239 1.996 1
1 1246 . 6 2 2 B 8 8 LEU CA C 51 54.936 53.374 1.562 1
1 1247 . 6 2 2 B 8 8 LEU CB C 51 42.292 46.287 -3.995 1
1 1251 . 6 2 2 B 8 8 LEU N N 51 123.073 117.785 5.288 1
1 1252 . 6 2 2 B 9 9 SER H H 52 8.499 9.535 -1.036 1
1 1253 . 6 2 2 B 9 9 SER HA H 52 4.410 4.602 -0.192 1
1 1256 . 6 2 2 B 9 9 SER C C 52 174.083 173.848 0.235 1
1 1257 . 6 2 2 B 9 9 SER CA C 52 57.757 59.097 -1.340 1
1 1258 . 6 2 2 B 9 9 SER CB C 52 63.734 63.643 0.091 1
1 1259 . 6 2 2 B 9 9 SER N N 52 117.150 114.778 2.372 1
1 1260 . 6 2 2 B 10 10 ASP H H 53 8.416 8.674 -0.258 1
1 1261 . 6 2 2 B 10 10 ASP HA H 53 4.575 4.750 -0.175 1
1 1264 . 6 2 2 B 10 10 ASP C C 53 176.911 177.241 -0.330 1
1 1265 . 6 2 2 B 10 10 ASP CA C 53 54.678 54.648 0.030 1
1 1266 . 6 2 2 B 10 10 ASP CB C 53 40.771 42.306 -1.535 1
1 1267 . 6 2 2 B 10 10 ASP N N 53 122.632 121.541 1.091 1
1 1268 . 6 2 2 B 11 11 GLU H H 54 8.486 8.390 0.096 1
1 1269 . 6 2 2 B 11 11 GLU HA H 54 4.155 4.039 0.116 1
1 1274 . 6 2 2 B 11 11 GLU C C 54 177.220 178.313 -1.093 1
1 1275 . 6 2 2 B 11 11 GLU CA C 54 58.488 59.495 -1.007 1
1 1276 . 6 2 2 B 11 11 GLU CB C 54 29.615 29.150 0.465 1
1 1278 . 6 2 2 B 11 11 GLU N N 54 121.842 119.289 2.553 1
1 1279 . 6 2 2 B 12 12 ASP H H 55 8.301 8.148 0.153 1
1 1280 . 6 2 2 B 12 12 ASP HA H 55 4.470 4.335 0.135 1
1 1283 . 6 2 2 B 12 12 ASP C C 55 177.161 178.525 -1.364 1
1 1284 . 6 2 2 B 12 12 ASP CA C 55 55.901 56.907 -1.006 1
1 1285 . 6 2 2 B 12 12 ASP CB C 55 40.503 40.359 0.144 1
1 1286 . 6 2 2 B 12 12 ASP N N 55 120.309 120.552 -0.243 1
1 1287 . 6 2 2 B 13 13 ALA H H 56 8.114 8.026 0.088 1
1 1288 . 6 2 2 B 13 13 ALA HA H 56 3.986 4.107 -0.121 1
1 1292 . 6 2 2 B 13 13 ALA C C 56 180.446 179.642 0.804 1
1 1293 . 6 2 2 B 13 13 ALA CA C 56 55.422 54.975 0.447 1
1 1294 . 6 2 2 B 13 13 ALA CB C 56 18.001 18.280 -0.279 1
1 1295 . 6 2 2 B 13 13 ALA N N 56 122.864 122.593 0.271 1
1 1296 . 6 2 2 B 14 14 GLU H H 57 8.105 7.628 0.477 1
1 1297 . 6 2 2 B 14 14 GLU HA H 57 4.010 4.112 -0.102 1
1 1302 . 6 2 2 B 14 14 GLU C C 57 178.914 178.850 0.064 1
1 1303 . 6 2 2 B 14 14 GLU CA C 57 59.175 58.360 0.815 1
1 1304 . 6 2 2 B 14 14 GLU CB C 57 28.904 29.791 -0.887 1
1 1306 . 6 2 2 B 14 14 GLU N N 57 117.931 118.009 -0.078 1
1 1307 . 6 2 2 B 15 15 LEU H H 58 7.813 8.222 -0.409 1
1 1308 . 6 2 2 B 15 15 LEU HA H 58 4.062 4.007 0.055 1
1 1318 . 6 2 2 B 15 15 LEU C C 58 178.634 179.612 -0.978 1
1 1319 . 6 2 2 B 15 15 LEU CA C 58 56.960 58.117 -1.157 1
1 1320 . 6 2 2 B 15 15 LEU CB C 58 41.973 41.407 0.566 1
1 1324 . 6 2 2 B 15 15 LEU N N 58 119.867 120.111 -0.244 1
1 1325 . 6 2 2 B 16 16 VAL H H 59 8.491 7.829 0.662 1
1 1326 . 6 2 2 B 16 16 VAL HA H 59 3.365 3.897 -0.532 1
1 1334 . 6 2 2 B 16 16 VAL C C 59 177.147 177.574 -0.427 1
1 1335 . 6 2 2 B 16 16 VAL CA C 59 67.142 65.566 1.576 1
1 1336 . 6 2 2 B 16 16 VAL CB C 59 31.176 31.432 -0.256 1
1 1339 . 6 2 2 B 16 16 VAL N N 59 118.357 115.403 2.954 1
1 1340 . 6 2 2 B 17 17 GLU H H 60 7.411 8.260 -0.849 1
1 1341 . 6 2 2 B 17 17 GLU HA H 60 4.015 4.108 -0.093 1
1 1346 . 6 2 2 B 17 17 GLU C C 60 179.636 179.051 0.585 1
1 1347 . 6 2 2 B 17 17 GLU CA C 60 59.203 59.082 0.121 1
1 1348 . 6 2 2 B 17 17 GLU CB C 60 28.970 29.256 -0.286 1
1 1350 . 6 2 2 B 17 17 GLU N N 60 117.103 120.746 -3.643 1
1 1351 . 6 2 2 B 18 18 ILE H H 61 7.574 7.953 -0.379 1
1 1352 . 6 2 2 B 18 18 ILE HA H 61 3.830 3.689 0.141 1
1 1362 . 6 2 2 B 18 18 ILE C C 61 178.001 178.384 -0.383 1
1 1363 . 6 2 2 B 18 18 ILE CA C 61 63.982 65.106 -1.124 1
1 1364 . 6 2 2 B 18 18 ILE CB C 61 38.483 38.025 0.458 1
1 1368 . 6 2 2 B 18 18 ILE N N 61 120.727 121.416 -0.689 1
1 1369 . 6 2 2 B 19 19 VAL H H 62 8.294 8.136 0.158 1
1 1370 . 6 2 2 B 19 19 VAL HA H 62 3.360 3.768 -0.408 1
1 1378 . 6 2 2 B 19 19 VAL C C 62 177.338 177.649 -0.311 1
1 1379 . 6 2 2 B 19 19 VAL CA C 62 66.364 65.343 1.021 1
1 1380 . 6 2 2 B 19 19 VAL CB C 62 31.203 31.416 -0.213 1
1 1383 . 6 2 2 B 19 19 VAL N N 62 119.635 121.183 -1.548 1
1 1384 . 6 2 2 B 20 20 LYS H H 63 8.780 7.979 0.801 1
1 1385 . 6 2 2 B 20 20 LYS HA H 63 3.784 4.028 -0.244 1
1 1394 . 6 2 2 B 20 20 LYS C C 63 179.209 178.852 0.357 1
1 1395 . 6 2 2 B 20 20 LYS CA C 63 60.096 58.795 1.301 1
1 1396 . 6 2 2 B 20 20 LYS CB C 63 32.673 31.802 0.871 1
1 1400 . 6 2 2 B 20 20 LYS N N 63 118.009 120.523 -2.514 1
1 1401 . 6 2 2 B 21 21 GLU H H 64 7.567 7.987 -0.420 1
1 1402 . 6 2 2 B 21 21 GLU HA H 64 4.084 4.058 0.026 1
1 1407 . 6 2 2 B 21 21 GLU C C 64 179.592 178.531 1.061 1
1 1408 . 6 2 2 B 21 21 GLU CA C 64 58.728 59.233 -0.505 1
1 1409 . 6 2 2 B 21 21 GLU CB C 64 28.974 29.207 -0.233 1
1 1411 . 6 2 2 B 21 21 GLU N N 64 117.452 119.728 -2.276 1
1 1412 . 6 2 2 B 22 22 ARG H H 65 8.156 7.719 0.437 1
1 1413 . 6 2 2 B 22 22 ARG HA H 65 4.053 4.284 -0.231 1
1 1420 . 6 2 2 B 22 22 ARG C C 65 177.986 178.388 -0.402 1
1 1421 . 6 2 2 B 22 22 ARG CA C 65 61.243 56.705 4.538 1
1 1422 . 6 2 2 B 22 22 ARG CB C 65 29.980 30.617 -0.637 1
1 1425 . 6 2 2 B 22 22 ARG N N 65 119.635 118.469 1.166 1
1 1426 . 6 2 2 B 23 23 LEU H H 66 8.436 7.965 0.471 1
1 1427 . 6 2 2 B 23 23 LEU HA H 66 4.106 4.141 -0.035 1
1 1437 . 6 2 2 B 23 23 LEU C C 66 178.620 178.820 -0.200 1
1 1438 . 6 2 2 B 23 23 LEU CA C 66 56.667 57.055 -0.388 1
1 1439 . 6 2 2 B 23 23 LEU CB C 66 41.465 41.388 0.077 1
1 1443 . 6 2 2 B 23 23 LEU N N 66 115.686 121.334 -5.648 1
1 1444 . 6 2 2 B 24 24 ARG H H 67 7.404 8.454 -1.050 1
1 1445 . 6 2 2 B 24 24 ARG HA H 67 4.165 4.239 -0.074 1
1 1452 . 6 2 2 B 24 24 ARG C C 67 177.147 176.187 0.960 1
1 1453 . 6 2 2 B 24 24 ARG CA C 67 59.004 57.646 1.358 1
1 1454 . 6 2 2 B 24 24 ARG CB C 67 30.472 29.865 0.607 1
1 1457 . 6 2 2 B 24 24 ARG N N 67 118.427 116.969 1.458 1
1 1458 . 6 2 2 B 25 25 ASN H H 68 7.322 7.419 -0.097 1
1 1459 . 6 2 2 B 25 25 ASN HA H 68 5.064 5.030 0.034 1
1 1464 . 6 2 2 B 25 25 ASN CA C 68 51.014 51.399 -0.385 1
1 1465 . 6 2 2 B 25 25 ASN CB C 68 38.696 38.734 -0.038 1
1 1466 . 6 2 2 B 25 25 ASN N N 68 114.083 117.553 -3.470 1
1 1468 . 6 2 2 B 26 26 PRO HA H 69 4.521 4.479 0.042 1
1 1475 . 6 2 2 B 26 26 PRO C C 69 177.323 177.142 0.181 1
1 1476 . 6 2 2 B 26 26 PRO CA C 69 63.698 65.602 -1.904 1
1 1477 . 6 2 2 B 26 26 PRO CB C 69 33.286 31.839 1.447 1
1 1480 . 6 2 2 B 27 27 LYS H H 70 8.672 7.959 0.713 1
1 1481 . 6 2 2 B 27 27 LYS HA H 70 4.980 3.960 1.020 1
1 1490 . 6 2 2 B 27 27 LYS CA C 70 52.767 56.506 -3.739 1
1 1491 . 6 2 2 B 27 27 LYS CB C 70 33.540 31.016 2.524 1
1 1495 . 6 2 2 B 27 27 LYS N N 70 121.210 115.762 5.448 1
1 1496 . 6 2 2 B 28 28 PRO HA H 71 4.467 4.832 -0.365 1
1 1503 . 6 2 2 B 28 28 PRO C C 71 177.235 175.858 1.377 1
1 1504 . 6 2 2 B 28 28 PRO CA C 71 63.859 62.310 1.549 1
1 1505 . 6 2 2 B 28 28 PRO CB C 71 32.632 32.434 0.198 1
1 1508 . 6 2 2 B 29 29 VAL H H 72 9.036 8.669 0.367 1
1 1509 . 6 2 2 B 29 29 VAL HA H 72 4.155 4.363 -0.208 1
1 1517 . 6 2 2 B 29 29 VAL C C 72 174.554 174.765 -0.211 1
1 1518 . 6 2 2 B 29 29 VAL CA C 72 61.506 61.277 0.229 1
1 1519 . 6 2 2 B 29 29 VAL CB C 72 34.764 32.816 1.948 1
1 1522 . 6 2 2 B 29 29 VAL N N 72 124.322 123.953 0.369 1
1 1523 . 6 2 2 B 30 30 ARG H H 73 8.437 8.756 -0.319 1
1 1524 . 6 2 2 B 30 30 ARG HA H 73 5.195 4.709 0.486 1
1 1531 . 6 2 2 B 30 30 ARG C C 73 176.248 176.267 -0.019 1
1 1532 . 6 2 2 B 30 30 ARG CA C 73 55.189 55.920 -0.731 1
1 1533 . 6 2 2 B 30 30 ARG CB C 73 27.764 30.630 -2.866 1
1 1536 . 6 2 2 B 30 30 ARG N N 73 129.461 128.379 1.082 1
1 1537 . 6 2 2 B 31 31 VAL H H 74 8.822 8.924 -0.102 1
1 1538 . 6 2 2 B 31 31 VAL HA H 74 4.889 5.216 -0.327 1
1 1546 . 6 2 2 B 31 31 VAL C C 74 173.965 174.223 -0.258 1
1 1547 . 6 2 2 B 31 31 VAL CA C 74 59.055 59.639 -0.584 1
1 1548 . 6 2 2 B 31 31 VAL CB C 74 35.653 35.854 -0.201 1
1 1551 . 6 2 2 B 31 31 VAL N N 74 123.375 120.154 3.221 1
1 1552 . 6 2 2 B 32 32 THR H H 75 7.855 8.291 -0.436 1
1 1553 . 6 2 2 B 32 32 THR HA H 75 4.730 5.012 -0.282 1
1 1558 . 6 2 2 B 32 32 THR C C 75 175.865 175.265 0.600 1
1 1559 . 6 2 2 B 32 32 THR CA C 75 59.052 59.159 -0.107 1
1 1560 . 6 2 2 B 32 32 THR CB C 75 71.228 71.795 -0.567 1
1 1562 . 6 2 2 B 32 32 THR N N 75 109.507 110.132 -0.625 1
1 1563 . 6 2 2 B 33 33 LEU H H 76 8.841 8.956 -0.115 1
1 1564 . 6 2 2 B 33 33 LEU HA H 76 3.773 3.992 -0.219 1
1 1574 . 6 2 2 B 33 33 LEU C C 76 178.737 178.664 0.073 1
1 1575 . 6 2 2 B 33 33 LEU CA C 76 57.892 57.568 0.324 1
1 1576 . 6 2 2 B 33 33 LEU CB C 76 41.057 41.568 -0.511 1
1 1580 . 6 2 2 B 33 33 LEU N N 76 121.099 122.133 -1.034 1
1 1581 . 6 2 2 B 34 34 ASP H H 77 7.983 8.178 -0.195 1
1 1582 . 6 2 2 B 34 34 ASP HA H 77 4.431 4.406 0.025 1
1 1585 . 6 2 2 B 34 34 ASP C C 77 177.088 177.702 -0.614 1
1 1586 . 6 2 2 B 34 34 ASP CA C 77 55.837 57.072 -1.235 1
1 1587 . 6 2 2 B 34 34 ASP CB C 77 40.498 41.205 -0.707 1
1 1588 . 6 2 2 B 34 34 ASP N N 77 113.851 119.698 -5.847 1
1 1589 . 6 2 2 B 35 35 GLU H H 78 7.561 8.137 -0.576 1
1 1590 . 6 2 2 B 35 35 GLU HA H 78 4.320 4.288 0.032 1
1 1595 . 6 2 2 B 35 35 GLU C C 78 175.482 177.424 -1.942 1
1 1596 . 6 2 2 B 35 35 GLU CA C 78 55.918 57.631 -1.713 1
1 1597 . 6 2 2 B 35 35 GLU CB C 78 30.767 29.741 1.026 1
1 1599 . 6 2 2 B 35 35 GLU N N 78 117.508 116.264 1.244 1
1 15 . 7 1 1 A 5 5 ALA H H 2 8.098 8.800 -0.702 1
1 16 . 7 1 1 A 5 5 ALA HA H 2 4.389 4.284 0.105 1
1 20 . 7 1 1 A 5 5 ALA CA C 2 51.852 52.860 -1.008 1
1 21 . 7 1 1 A 5 5 ALA CB C 2 19.420 20.215 -0.795 1
1 22 . 7 1 1 A 5 5 ALA N N 2 125.572 128.493 -2.921 1
1 23 . 7 1 1 A 6 6 TYR H H 3 8.402 8.106 0.296 1
1 24 . 7 1 1 A 6 6 TYR HA H 3 4.236 4.736 -0.500 1
1 31 . 7 1 1 A 6 6 TYR CA C 3 57.802 56.800 1.002 1
1 32 . 7 1 1 A 6 6 TYR CB C 3 39.608 40.457 -0.849 1
1 35 . 7 1 1 A 6 6 TYR N N 3 120.730 116.459 4.271 1
1 36 . 7 1 1 A 7 7 PHE H H 4 8.958 8.913 0.045 1
1 37 . 7 1 1 A 7 7 PHE HA H 4 4.509 4.832 -0.323 1
1 45 . 7 1 1 A 7 7 PHE CA C 4 57.936 57.839 0.097 1
1 46 . 7 1 1 A 7 7 PHE CB C 4 40.613 40.275 0.338 1
1 50 . 7 1 1 A 7 7 PHE N N 4 118.436 121.548 -3.112 1
1 51 . 7 1 1 A 8 8 LEU H H 5 8.711 8.610 0.101 1
1 52 . 7 1 1 A 8 8 LEU HA H 5 5.336 5.261 0.075 1
1 62 . 7 1 1 A 8 8 LEU CA C 5 53.391 53.738 -0.347 1
1 63 . 7 1 1 A 8 8 LEU CB C 5 44.716 45.941 -1.225 1
1 67 . 7 1 1 A 8 8 LEU N N 5 122.810 122.107 0.703 1
1 68 . 7 1 1 A 9 9 ASP H H 6 9.145 8.675 0.470 1
1 69 . 7 1 1 A 9 9 ASP HA H 6 5.999 5.407 0.592 1
1 72 . 7 1 1 A 9 9 ASP CA C 6 51.759 53.190 -1.431 1
1 73 . 7 1 1 A 9 9 ASP CB C 6 44.757 45.594 -0.837 1
1 74 . 7 1 1 A 9 9 ASP N N 6 124.570 123.931 0.639 1
1 75 . 7 1 1 A 10 10 PHE H H 7 9.884 9.239 0.645 1
1 76 . 7 1 1 A 10 10 PHE HA H 7 5.231 5.192 0.039 1
1 83 . 7 1 1 A 10 10 PHE CA C 7 55.321 56.834 -1.513 1
1 84 . 7 1 1 A 10 10 PHE CB C 7 42.863 43.299 -0.436 1
1 88 . 7 1 1 A 10 10 PHE N N 7 123.156 119.889 3.267 1
1 89 . 7 1 1 A 11 11 ASP H H 8 8.986 8.721 0.265 1
1 90 . 7 1 1 A 11 11 ASP HA H 8 4.924 4.824 0.100 1
1 93 . 7 1 1 A 11 11 ASP CA C 8 55.122 54.867 0.255 1
1 94 . 7 1 1 A 11 11 ASP CB C 8 44.453 43.141 1.312 1
1 95 . 7 1 1 A 11 11 ASP N N 8 123.103 124.588 -1.485 1
1 96 . 7 1 1 A 12 12 GLU H H 9 9.685 8.942 0.743 1
1 97 . 7 1 1 A 12 12 GLU HA H 9 3.984 4.032 -0.048 1
1 102 . 7 1 1 A 12 12 GLU CA C 9 60.974 59.504 1.470 1
1 103 . 7 1 1 A 12 12 GLU CB C 9 31.222 29.337 1.885 1
1 105 . 7 1 1 A 12 12 GLU N N 9 128.730 125.615 3.115 1
1 106 . 7 1 1 A 13 13 ARG H H 10 9.626 8.205 1.421 1
1 107 . 7 1 1 A 13 13 ARG HA H 10 4.063 4.027 0.036 1
1 114 . 7 1 1 A 13 13 ARG CA C 10 59.013 58.898 0.115 1
1 115 . 7 1 1 A 13 13 ARG CB C 10 30.124 30.249 -0.125 1
1 118 . 7 1 1 A 13 13 ARG N N 10 117.930 119.660 -1.730 1
1 119 . 7 1 1 A 14 14 ALA H H 11 7.268 8.319 -1.051 1
1 120 . 7 1 1 A 14 14 ALA HA H 11 5.323 4.599 0.724 1
1 124 . 7 1 1 A 14 14 ALA CA C 11 53.013 55.029 -2.016 1
1 125 . 7 1 1 A 14 14 ALA CB C 11 18.072 18.685 -0.613 1
1 126 . 7 1 1 A 14 14 ALA N N 11 122.063 122.643 -0.580 1
1 127 . 7 1 1 A 15 15 LEU H H 12 8.773 8.019 0.754 1
1 128 . 7 1 1 A 15 15 LEU HA H 12 4.318 2.715 1.603 1
1 138 . 7 1 1 A 15 15 LEU CA C 12 57.404 57.538 -0.134 1
1 139 . 7 1 1 A 15 15 LEU CB C 12 41.842 41.297 0.545 1
1 143 . 7 1 1 A 15 15 LEU N N 12 121.956 118.749 3.207 1
1 144 . 7 1 1 A 16 16 LYS H H 13 7.515 7.626 -0.111 1
1 145 . 7 1 1 A 16 16 LYS HA H 13 4.099 3.800 0.299 1
1 154 . 7 1 1 A 16 16 LYS CA C 13 59.837 59.512 0.325 1
1 155 . 7 1 1 A 16 16 LYS CB C 13 32.297 31.957 0.340 1
1 159 . 7 1 1 A 16 16 LYS N N 13 118.250 117.386 0.864 1
1 160 . 7 1 1 A 17 17 GLU H H 14 7.416 8.013 -0.597 1
1 161 . 7 1 1 A 17 17 GLU HA H 14 3.959 4.019 -0.060 1
1 166 . 7 1 1 A 17 17 GLU CA C 14 59.458 59.413 0.045 1
1 167 . 7 1 1 A 17 17 GLU CB C 14 29.644 29.541 0.103 1
1 169 . 7 1 1 A 17 17 GLU N N 14 118.330 119.835 -1.505 1
1 170 . 7 1 1 A 18 18 TRP H H 15 9.095 7.891 1.204 1
1 171 . 7 1 1 A 18 18 TRP HA H 15 4.013 4.507 -0.494 1
1 178 . 7 1 1 A 18 18 TRP CA C 15 60.476 60.040 0.436 1
1 179 . 7 1 1 A 18 18 TRP CB C 15 29.644 28.052 1.592 1
1 182 . 7 1 1 A 18 18 TRP N N 15 121.770 118.493 3.277 1
1 183 . 7 1 1 A 19 19 ARG H H 16 8.060 7.469 0.591 1
1 184 . 7 1 1 A 19 19 ARG HA H 16 4.030 4.089 -0.059 1
1 191 . 7 1 1 A 19 19 ARG CA C 16 57.993 59.247 -1.254 1
1 192 . 7 1 1 A 19 19 ARG CB C 16 29.948 29.762 0.186 1
1 195 . 7 1 1 A 19 19 ARG N N 16 113.396 122.469 -9.073 1
1 196 . 7 1 1 A 20 20 LYS H H 17 7.274 7.884 -0.610 1
1 197 . 7 1 1 A 20 20 LYS HA H 17 4.311 4.327 -0.016 1
1 206 . 7 1 1 A 20 20 LYS CA C 17 57.183 57.998 -0.815 1
1 207 . 7 1 1 A 20 20 LYS CB C 17 32.106 32.245 -0.139 1
1 211 . 7 1 1 A 20 20 LYS N N 17 116.232 117.059 -0.827 1
1 212 . 7 1 1 A 21 21 LEU H H 18 7.359 7.213 0.146 1
1 213 . 7 1 1 A 21 21 LEU HA H 18 4.074 4.751 -0.677 1
1 223 . 7 1 1 A 21 21 LEU CA C 18 54.367 53.036 1.331 1
1 224 . 7 1 1 A 21 21 LEU CB C 18 43.185 44.624 -1.439 1
1 228 . 7 1 1 A 21 21 LEU N N 18 119.903 117.150 2.753 1
1 229 . 7 1 1 A 22 22 GLY H H 19 8.455 8.330 0.125 1
1 230 . 7 1 1 A 22 22 GLY HA2 H 19 4.103 4.008 0.095 1
1 231 . 7 1 1 A 22 22 GLY HA3 H 19 3.888 4.053 -0.165 1
1 232 . 7 1 1 A 22 22 GLY CA C 19 44.739 45.686 -0.947 1
1 233 . 7 1 1 A 22 22 GLY N N 19 108.063 107.266 0.797 1
1 234 . 7 1 1 A 23 23 SER H H 20 8.711 8.730 -0.019 1
1 235 . 7 1 1 A 23 23 SER HA H 20 4.422 4.130 0.292 1
1 238 . 7 1 1 A 23 23 SER CA C 20 58.325 62.744 -4.419 1
1 239 . 7 1 1 A 23 23 SER CB C 20 63.754 62.876 0.878 1
1 240 . 7 1 1 A 23 23 SER N N 20 117.509 118.614 -1.105 1
1 241 . 7 1 1 A 24 24 THR H H 21 8.273 7.882 0.391 1
1 242 . 7 1 1 A 24 24 THR HA H 21 4.026 3.946 0.080 1
1 247 . 7 1 1 A 24 24 THR CA C 21 65.605 66.063 -0.458 1
1 248 . 7 1 1 A 24 24 THR CB C 21 68.013 68.240 -0.227 1
1 250 . 7 1 1 A 24 24 THR N N 21 116.047 117.999 -1.952 1
1 251 . 7 1 1 A 25 25 VAL H H 22 7.075 7.966 -0.891 1
1 252 . 7 1 1 A 25 25 VAL HA H 22 3.507 3.470 0.037 1
1 260 . 7 1 1 A 25 25 VAL CA C 22 65.475 66.810 -1.335 1
1 261 . 7 1 1 A 25 25 VAL CB C 22 31.319 31.217 0.102 1
1 264 . 7 1 1 A 25 25 VAL N N 22 122.543 121.979 0.564 1
1 265 . 7 1 1 A 26 26 ARG H H 23 7.781 8.147 -0.366 1
1 266 . 7 1 1 A 26 26 ARG HA H 23 3.116 3.986 -0.870 1
1 273 . 7 1 1 A 26 26 ARG CA C 23 60.215 58.722 1.493 1
1 274 . 7 1 1 A 26 26 ARG CB C 23 30.555 29.838 0.717 1
1 277 . 7 1 1 A 26 26 ARG N N 23 118.490 119.899 -1.409 1
1 278 . 7 1 1 A 27 27 GLU H H 24 8.107 8.225 -0.118 1
1 279 . 7 1 1 A 27 27 GLU HA H 24 4.031 4.079 -0.048 1
1 284 . 7 1 1 A 27 27 GLU CA C 24 59.421 59.030 0.391 1
1 285 . 7 1 1 A 27 27 GLU CB C 24 29.126 29.303 -0.177 1
1 287 . 7 1 1 A 27 27 GLU N N 24 116.756 118.892 -2.136 1
1 288 . 7 1 1 A 28 28 GLN H H 25 7.760 7.681 0.079 1
1 289 . 7 1 1 A 28 28 GLN HA H 25 4.097 4.014 0.083 1
1 296 . 7 1 1 A 28 28 GLN CA C 25 59.055 58.640 0.415 1
1 297 . 7 1 1 A 28 28 GLN CB C 25 29.925 28.079 1.846 1
1 299 . 7 1 1 A 28 28 GLN N N 25 118.410 119.708 -1.298 1
1 301 . 7 1 1 A 29 29 LEU H H 26 8.631 8.113 0.518 1
1 302 . 7 1 1 A 29 29 LEU HA H 26 4.145 3.968 0.177 1
1 312 . 7 1 1 A 29 29 LEU CA C 26 57.929 58.012 -0.083 1
1 313 . 7 1 1 A 29 29 LEU CB C 26 42.787 41.459 1.328 1
1 317 . 7 1 1 A 29 29 LEU N N 26 119.716 120.247 -0.531 1
1 318 . 7 1 1 A 30 30 LYS H H 27 9.183 7.948 1.235 1
1 319 . 7 1 1 A 30 30 LYS HA H 27 3.981 3.981 0.000 1
1 328 . 7 1 1 A 30 30 LYS CA C 27 61.364 59.692 1.672 1
1 329 . 7 1 1 A 30 30 LYS CB C 27 32.137 31.894 0.243 1
1 333 . 7 1 1 A 30 30 LYS N N 27 120.836 118.633 2.203 1
1 334 . 7 1 1 A 31 31 LYS H H 28 7.580 7.538 0.042 1
1 335 . 7 1 1 A 31 31 LYS HA H 28 4.050 4.124 -0.074 1
1 344 . 7 1 1 A 31 31 LYS CA C 28 59.586 59.376 0.210 1
1 345 . 7 1 1 A 31 31 LYS CB C 28 32.373 32.315 0.058 1
1 349 . 7 1 1 A 31 31 LYS N N 28 116.783 119.751 -2.968 1
1 350 . 7 1 1 A 32 32 LYS H H 29 7.300 7.783 -0.483 1
1 351 . 7 1 1 A 32 32 LYS HA H 29 4.090 4.174 -0.084 1
1 360 . 7 1 1 A 32 32 LYS CA C 29 57.130 58.762 -1.632 1
1 361 . 7 1 1 A 32 32 LYS N N 29 116.383 121.159 -4.776 1
1 362 . 7 1 1 A 33 33 LEU H H 30 8.722 7.997 0.725 1
1 363 . 7 1 1 A 33 33 LEU HA H 30 3.881 3.925 -0.044 1
1 373 . 7 1 1 A 33 33 LEU CA C 30 57.634 57.625 0.009 1
1 374 . 7 1 1 A 33 33 LEU CB C 30 42.116 41.290 0.826 1
1 378 . 7 1 1 A 33 33 LEU N N 30 121.770 119.253 2.517 1
1 379 . 7 1 1 A 34 34 VAL H H 31 8.067 7.609 0.458 1
1 380 . 7 1 1 A 34 34 VAL HA H 31 3.479 3.813 -0.334 1
1 388 . 7 1 1 A 34 34 VAL CA C 31 66.847 64.454 2.393 1
1 389 . 7 1 1 A 34 34 VAL CB C 31 31.860 31.611 0.249 1
1 392 . 7 1 1 A 34 34 VAL N N 31 118.116 118.646 -0.530 1
1 393 . 7 1 1 A 35 35 GLU H H 32 6.825 7.779 -0.954 1
1 394 . 7 1 1 A 35 35 GLU HA H 32 4.090 4.152 -0.062 1
1 399 . 7 1 1 A 35 35 GLU CA C 32 58.624 58.378 0.246 1
1 400 . 7 1 1 A 35 35 GLU CB C 32 29.746 29.812 -0.066 1
1 402 . 7 1 1 A 35 35 GLU N N 32 116.570 120.238 -3.668 1
1 403 . 7 1 1 A 36 36 VAL H H 33 7.785 7.606 0.179 1
1 404 . 7 1 1 A 36 36 VAL HA H 33 3.484 3.691 -0.207 1
1 412 . 7 1 1 A 36 36 VAL CA C 33 65.213 65.066 0.147 1
1 413 . 7 1 1 A 36 36 VAL CB C 33 31.932 31.289 0.643 1
1 416 . 7 1 1 A 36 36 VAL N N 33 120.618 120.518 0.100 1
1 417 . 7 1 1 A 37 37 LEU H H 34 7.956 7.828 0.128 1
1 418 . 7 1 1 A 37 37 LEU HA H 34 3.747 4.112 -0.365 1
1 428 . 7 1 1 A 37 37 LEU CA C 34 57.069 56.387 0.682 1
1 429 . 7 1 1 A 37 37 LEU CB C 34 40.916 41.582 -0.666 1
1 433 . 7 1 1 A 37 37 LEU N N 34 115.476 121.271 -5.795 1
1 434 . 7 1 1 A 38 38 GLU H H 35 7.042 7.583 -0.541 1
1 435 . 7 1 1 A 38 38 GLU HA H 35 4.395 4.250 0.145 1
1 440 . 7 1 1 A 38 38 GLU CA C 35 57.553 58.009 -0.456 1
1 441 . 7 1 1 A 38 38 GLU CB C 35 30.234 31.015 -0.781 1
1 443 . 7 1 1 A 38 38 GLU N N 35 114.356 119.689 -5.333 1
1 444 . 7 1 1 A 39 39 SER H H 36 7.125 7.280 -0.155 1
1 445 . 7 1 1 A 39 39 SER HA H 36 4.593 4.665 -0.072 1
1 448 . 7 1 1 A 39 39 SER CA C 36 55.308 55.535 -0.227 1
1 449 . 7 1 1 A 39 39 SER CB C 36 62.305 64.234 -1.929 1
1 450 . 7 1 1 A 39 39 SER N N 36 109.796 113.200 -3.404 1
1 451 . 7 1 1 A 40 40 PRO HA H 37 4.360 4.343 0.017 1
1 458 . 7 1 1 A 40 40 PRO CA C 37 64.802 63.627 1.175 1
1 459 . 7 1 1 A 40 40 PRO CB C 37 32.562 32.549 0.013 1
1 462 . 7 1 1 A 41 41 ARG H H 38 8.356 8.035 0.321 1
1 463 . 7 1 1 A 41 41 ARG HA H 38 3.271 4.225 -0.954 1
1 470 . 7 1 1 A 41 41 ARG CA C 38 56.364 54.883 1.481 1
1 471 . 7 1 1 A 41 41 ARG CB C 38 29.580 29.039 0.541 1
1 474 . 7 1 1 A 41 41 ARG N N 38 120.882 120.380 0.502 1
1 475 . 7 1 1 A 42 42 ILE H H 39 5.973 7.605 -1.632 1
1 476 . 7 1 1 A 42 42 ILE HA H 39 4.216 4.392 -0.176 1
1 486 . 7 1 1 A 42 42 ILE CA C 39 60.301 60.999 -0.698 1
1 487 . 7 1 1 A 42 42 ILE CB C 39 38.705 37.980 0.725 1
1 491 . 7 1 1 A 42 42 ILE N N 39 127.866 125.409 2.457 1
1 492 . 7 1 1 A 43 43 GLU H H 40 8.860 8.927 -0.067 1
1 493 . 7 1 1 A 43 43 GLU HA H 40 4.218 4.122 0.096 1
1 498 . 7 1 1 A 43 43 GLU CA C 40 59.945 59.126 0.819 1
1 499 . 7 1 1 A 43 43 GLU CB C 40 29.040 29.003 0.037 1
1 501 . 7 1 1 A 43 43 GLU N N 40 129.498 127.971 1.527 1
1 502 . 7 1 1 A 44 44 ALA H H 41 8.827 7.799 1.028 1
1 503 . 7 1 1 A 44 44 ALA HA H 41 4.241 4.209 0.032 1
1 507 . 7 1 1 A 44 44 ALA CA C 41 54.035 53.849 0.186 1
1 508 . 7 1 1 A 44 44 ALA CB C 41 18.466 18.383 0.083 1
1 509 . 7 1 1 A 44 44 ALA N N 41 119.919 121.005 -1.086 1
1 510 . 7 1 1 A 45 45 ASN H H 42 8.184 8.179 0.005 1
1 511 . 7 1 1 A 45 45 ASN HA H 42 5.082 4.878 0.204 1
1 516 . 7 1 1 A 45 45 ASN CA C 42 51.401 53.035 -1.634 1
1 517 . 7 1 1 A 45 45 ASN CB C 42 38.684 39.998 -1.314 1
1 518 . 7 1 1 A 45 45 ASN N N 42 114.675 115.157 -0.482 1
1 520 . 7 1 1 A 46 46 LYS H H 43 7.515 7.526 -0.011 1
1 521 . 7 1 1 A 46 46 LYS HA H 43 3.741 3.728 0.013 1
1 530 . 7 1 1 A 46 46 LYS CA C 43 57.354 56.616 0.738 1
1 531 . 7 1 1 A 46 46 LYS CB C 43 32.905 32.975 -0.070 1
1 535 . 7 1 1 A 46 46 LYS N N 43 122.167 121.074 1.093 1
1 536 . 7 1 1 A 47 47 LEU H H 44 8.184 8.029 0.155 1
1 537 . 7 1 1 A 47 47 LEU HA H 44 4.297 4.756 -0.459 1
1 547 . 7 1 1 A 47 47 LEU CA C 44 53.422 53.447 -0.025 1
1 548 . 7 1 1 A 47 47 LEU CB C 44 42.208 44.545 -2.337 1
1 552 . 7 1 1 A 47 47 LEU N N 44 127.544 124.086 3.458 1
1 553 . 7 1 1 A 48 48 ARG H H 45 8.706 8.539 0.167 1
1 554 . 7 1 1 A 48 48 ARG HA H 45 3.918 3.984 -0.066 1
1 561 . 7 1 1 A 48 48 ARG CA C 45 57.765 57.636 0.129 1
1 562 . 7 1 1 A 48 48 ARG CB C 45 29.686 30.113 -0.427 1
1 565 . 7 1 1 A 48 48 ARG N N 45 128.641 125.543 3.098 1
1 566 . 7 1 1 A 49 49 GLY H H 46 8.543 8.802 -0.259 1
1 567 . 7 1 1 A 49 49 GLY HA2 H 46 4.129 3.941 0.188 1
1 568 . 7 1 1 A 49 49 GLY HA3 H 46 3.662 3.942 -0.280 1
1 569 . 7 1 1 A 49 49 GLY CA C 46 44.981 44.943 0.038 1
1 570 . 7 1 1 A 49 49 GLY N N 46 110.474 114.536 -4.062 1
1 571 . 7 1 1 A 50 50 MET H H 47 7.404 7.636 -0.232 1
1 572 . 7 1 1 A 50 50 MET HA H 47 5.226 4.843 0.383 1
1 580 . 7 1 1 A 50 50 MET CA C 47 50.824 52.344 -1.520 1
1 581 . 7 1 1 A 50 50 MET CB C 47 33.186 32.902 0.284 1
1 584 . 7 1 1 A 50 50 MET N N 47 118.742 119.721 -0.979 1
1 585 . 7 1 1 A 51 51 PRO HA H 48 4.344 4.263 0.081 1
1 592 . 7 1 1 A 51 51 PRO CA C 48 63.591 64.326 -0.735 1
1 593 . 7 1 1 A 51 51 PRO CB C 48 31.942 31.916 0.026 1
1 596 . 7 1 1 A 52 52 ASP H H 49 8.703 8.236 0.467 1
1 597 . 7 1 1 A 52 52 ASP HA H 49 4.392 4.866 -0.474 1
1 600 . 7 1 1 A 52 52 ASP CA C 49 56.244 54.203 2.041 1
1 601 . 7 1 1 A 52 52 ASP N N 49 116.361 116.739 -0.378 1
1 602 . 7 1 1 A 53 53 CYS H H 50 7.456 7.102 0.354 1
1 603 . 7 1 1 A 53 53 CYS HA H 50 5.799 4.938 0.861 1
1 606 . 7 1 1 A 53 53 CYS CA C 50 58.147 56.841 1.306 1
1 607 . 7 1 1 A 53 53 CYS CB C 50 30.953 30.996 -0.043 1
1 608 . 7 1 1 A 53 53 CYS N N 50 114.086 118.383 -4.297 1
1 609 . 7 1 1 A 54 54 TYR H H 51 8.939 8.678 0.261 1
1 610 . 7 1 1 A 54 54 TYR HA H 51 4.662 5.191 -0.529 1
1 617 . 7 1 1 A 54 54 TYR CA C 51 56.444 56.126 0.318 1
1 618 . 7 1 1 A 54 54 TYR CB C 51 43.000 43.176 -0.176 1
1 620 . 7 1 1 A 54 54 TYR N N 51 120.722 123.866 -3.144 1
1 621 . 7 1 1 A 55 55 LYS H H 52 8.665 8.887 -0.222 1
1 622 . 7 1 1 A 55 55 LYS HA H 52 5.456 5.305 0.151 1
1 631 . 7 1 1 A 55 55 LYS CA C 52 53.968 54.604 -0.636 1
1 632 . 7 1 1 A 55 55 LYS CB C 52 36.126 35.648 0.478 1
1 636 . 7 1 1 A 55 55 LYS N N 52 117.297 118.395 -1.098 1
1 637 . 7 1 1 A 56 56 ILE H H 53 9.272 9.167 0.105 1
1 638 . 7 1 1 A 56 56 ILE HA H 53 4.428 5.087 -0.659 1
1 648 . 7 1 1 A 56 56 ILE CA C 53 60.803 59.518 1.285 1
1 649 . 7 1 1 A 56 56 ILE CB C 53 40.849 41.237 -0.388 1
1 653 . 7 1 1 A 56 56 ILE N N 53 122.006 124.506 -2.500 1
1 654 . 7 1 1 A 57 57 LYS H H 54 8.745 8.994 -0.249 1
1 655 . 7 1 1 A 57 57 LYS HA H 54 5.093 5.144 -0.051 1
1 664 . 7 1 1 A 57 57 LYS CA C 54 54.227 54.610 -0.383 1
1 665 . 7 1 1 A 57 57 LYS CB C 54 35.595 36.253 -0.658 1
1 669 . 7 1 1 A 57 57 LYS N N 54 125.752 123.360 2.392 1
1 670 . 7 1 1 A 58 58 LEU H H 55 8.543 9.019 -0.476 1
1 671 . 7 1 1 A 58 58 LEU HA H 55 4.788 4.533 0.255 1
1 681 . 7 1 1 A 58 58 LEU CA C 55 53.151 54.613 -1.462 1
1 682 . 7 1 1 A 58 58 LEU CB C 55 41.238 41.379 -0.141 1
1 686 . 7 1 1 A 58 58 LEU N N 55 124.173 124.770 -0.597 1
1 687 . 7 1 1 A 59 59 ARG HA H 56 4.039 4.040 -0.001 1
1 694 . 7 1 1 A 59 59 ARG CA C 56 59.531 59.694 -0.163 1
1 695 . 7 1 1 A 59 59 ARG CB C 56 32.180 29.761 2.419 1
1 698 . 7 1 1 A 60 60 SER HA H 57 4.335 4.299 0.036 1
1 701 . 7 1 1 A 60 60 SER CA C 57 60.035 61.450 -1.415 1
1 702 . 7 1 1 A 60 60 SER CB C 57 62.551 63.163 -0.612 1
1 703 . 7 1 1 A 61 61 SER H H 58 7.605 7.925 -0.320 1
1 704 . 7 1 1 A 61 61 SER HA H 58 4.604 4.602 0.002 1
1 707 . 7 1 1 A 61 61 SER CA C 58 58.122 59.321 -1.199 1
1 708 . 7 1 1 A 61 61 SER CB C 58 64.520 64.729 -0.209 1
1 709 . 7 1 1 A 61 61 SER N N 58 112.447 113.653 -1.206 1
1 710 . 7 1 1 A 62 62 GLY H H 59 8.214 8.550 -0.336 1
1 711 . 7 1 1 A 62 62 GLY HA2 H 59 4.091 3.935 0.156 1
1 712 . 7 1 1 A 62 62 GLY HA3 H 59 3.824 3.955 -0.131 1
1 713 . 7 1 1 A 62 62 GLY CA C 59 45.562 45.644 -0.082 1
1 714 . 7 1 1 A 62 62 GLY N N 59 108.976 109.583 -0.607 1
1 715 . 7 1 1 A 63 63 TYR H H 60 7.283 8.118 -0.835 1
1 716 . 7 1 1 A 63 63 TYR HA H 60 4.619 4.622 -0.003 1
1 723 . 7 1 1 A 63 63 TYR CA C 60 60.412 58.087 2.325 1
1 724 . 7 1 1 A 63 63 TYR CB C 60 40.339 40.163 0.176 1
1 727 . 7 1 1 A 63 63 TYR N N 60 117.859 120.041 -2.182 1
1 728 . 7 1 1 A 64 64 ARG H H 61 9.296 9.309 -0.013 1
1 729 . 7 1 1 A 64 64 ARG HA H 61 5.634 5.410 0.224 1
1 736 . 7 1 1 A 64 64 ARG CA C 61 54.114 53.971 0.143 1
1 737 . 7 1 1 A 64 64 ARG CB C 61 33.245 34.842 -1.597 1
1 740 . 7 1 1 A 64 64 ARG N N 61 117.912 119.495 -1.583 1
1 741 . 7 1 1 A 65 65 LEU H H 62 9.077 8.903 0.174 1
1 742 . 7 1 1 A 65 65 LEU HA H 62 5.459 4.979 0.480 1
1 752 . 7 1 1 A 65 65 LEU CA C 62 54.114 54.646 -0.532 1
1 753 . 7 1 1 A 65 65 LEU CB C 62 46.977 45.955 1.022 1
1 757 . 7 1 1 A 65 65 LEU N N 62 123.590 121.563 2.027 1
1 758 . 7 1 1 A 66 66 VAL H H 63 8.729 8.998 -0.269 1
1 759 . 7 1 1 A 66 66 VAL HA H 63 5.206 4.923 0.283 1
1 767 . 7 1 1 A 66 66 VAL CA C 63 60.112 60.894 -0.782 1
1 768 . 7 1 1 A 66 66 VAL CB C 63 34.296 32.908 1.388 1
1 771 . 7 1 1 A 66 66 VAL N N 63 123.237 126.582 -3.345 1
1 772 . 7 1 1 A 67 67 TYR H H 64 8.976 8.959 0.017 1
1 773 . 7 1 1 A 67 67 TYR HA H 64 5.745 5.304 0.441 1
1 780 . 7 1 1 A 67 67 TYR CA C 64 53.968 55.511 -1.543 1
1 781 . 7 1 1 A 67 67 TYR CB C 64 42.534 41.658 0.876 1
1 784 . 7 1 1 A 67 67 TYR N N 64 124.227 124.188 0.039 1
1 785 . 7 1 1 A 68 68 GLN H H 65 9.696 8.829 0.867 1
1 786 . 7 1 1 A 68 68 GLN HA H 65 5.640 5.200 0.440 1
1 793 . 7 1 1 A 68 68 GLN CA C 65 52.933 54.249 -1.316 1
1 794 . 7 1 1 A 68 68 GLN CB C 65 33.585 32.374 1.211 1
1 796 . 7 1 1 A 68 68 GLN N N 65 122.541 120.040 2.501 1
1 798 . 7 1 1 A 69 69 VAL H H 66 9.050 9.316 -0.266 1
1 799 . 7 1 1 A 69 69 VAL HA H 66 4.513 4.586 -0.073 1
1 807 . 7 1 1 A 69 69 VAL CA C 66 62.534 62.068 0.466 1
1 808 . 7 1 1 A 69 69 VAL CB C 66 33.052 32.055 0.997 1
1 811 . 7 1 1 A 69 69 VAL N N 66 127.437 126.855 0.582 1
1 812 . 7 1 1 A 70 70 ILE H H 67 9.385 9.179 0.206 1
1 813 . 7 1 1 A 70 70 ILE HA H 67 4.475 4.502 -0.027 1
1 823 . 7 1 1 A 70 70 ILE CA C 67 59.863 60.910 -1.047 1
1 824 . 7 1 1 A 70 70 ILE CB C 67 37.487 37.570 -0.083 1
1 828 . 7 1 1 A 70 70 ILE N N 67 129.296 127.897 1.399 1
1 829 . 7 1 1 A 71 71 ASP H H 68 9.343 9.044 0.299 1
1 830 . 7 1 1 A 71 71 ASP HA H 68 4.595 4.721 -0.126 1
1 833 . 7 1 1 A 71 71 ASP CA C 68 58.841 56.006 2.835 1
1 834 . 7 1 1 A 71 71 ASP CB C 68 40.637 40.689 -0.052 1
1 835 . 7 1 1 A 71 71 ASP N N 68 128.749 128.015 0.734 1
1 836 . 7 1 1 A 72 72 GLU H H 69 9.718 8.938 0.780 1
1 837 . 7 1 1 A 72 72 GLU HA H 69 4.124 4.066 0.058 1
1 842 . 7 1 1 A 72 72 GLU CA C 69 59.335 59.402 -0.067 1
1 843 . 7 1 1 A 72 72 GLU CB C 69 29.131 29.057 0.074 1
1 845 . 7 1 1 A 72 72 GLU N N 69 118.929 119.593 -0.664 1
1 846 . 7 1 1 A 73 73 LYS H H 70 6.653 7.764 -1.111 1
1 847 . 7 1 1 A 73 73 LYS HA H 70 4.517 4.416 0.101 1
1 856 . 7 1 1 A 73 73 LYS CA C 70 54.587 56.053 -1.466 1
1 857 . 7 1 1 A 73 73 LYS CB C 70 33.843 32.825 1.018 1
1 861 . 7 1 1 A 73 73 LYS N N 70 114.113 117.352 -3.239 1
1 862 . 7 1 1 A 74 74 VAL H H 71 7.832 7.846 -0.014 1
1 863 . 7 1 1 A 74 74 VAL HA H 71 3.012 3.509 -0.497 1
1 871 . 7 1 1 A 74 74 VAL CA C 71 63.090 62.904 0.186 1
1 872 . 7 1 1 A 74 74 VAL CB C 71 29.226 29.416 -0.190 1
1 875 . 7 1 1 A 74 74 VAL N N 71 119.223 116.825 2.398 1
1 876 . 7 1 1 A 75 75 VAL H H 72 7.732 8.055 -0.323 1
1 877 . 7 1 1 A 75 75 VAL HA H 72 4.950 5.039 -0.089 1
1 885 . 7 1 1 A 75 75 VAL CA C 72 60.455 60.499 -0.044 1
1 886 . 7 1 1 A 75 75 VAL CB C 72 37.925 35.371 2.554 1
1 889 . 7 1 1 A 75 75 VAL N N 72 117.190 120.401 -3.211 1
1 890 . 7 1 1 A 76 76 VAL H H 73 9.026 8.848 0.178 1
1 891 . 7 1 1 A 76 76 VAL HA H 73 4.349 4.622 -0.273 1
1 899 . 7 1 1 A 76 76 VAL CA C 73 62.527 61.681 0.846 1
1 900 . 7 1 1 A 76 76 VAL CB C 73 32.882 31.770 1.112 1
1 903 . 7 1 1 A 76 76 VAL N N 73 128.347 126.297 2.050 1
1 904 . 7 1 1 A 77 77 PHE H H 74 9.629 9.106 0.523 1
1 905 . 7 1 1 A 77 77 PHE HA H 74 5.898 4.907 0.991 1
1 913 . 7 1 1 A 77 77 PHE CA C 74 51.863 56.102 -4.239 1
1 914 . 7 1 1 A 77 77 PHE CB C 74 40.214 40.245 -0.031 1
1 918 . 7 1 1 A 77 77 PHE N N 74 128.802 129.142 -0.340 1
1 919 . 7 1 1 A 78 78 VAL H H 75 9.535 8.690 0.845 1
1 920 . 7 1 1 A 78 78 VAL HA H 75 3.712 3.877 -0.165 1
1 928 . 7 1 1 A 78 78 VAL CA C 75 63.939 63.399 0.540 1
1 929 . 7 1 1 A 78 78 VAL CB C 75 31.079 31.360 -0.281 1
1 932 . 7 1 1 A 78 78 VAL N N 75 128.588 127.351 1.237 1
1 933 . 7 1 1 A 79 79 ILE H H 76 8.515 8.922 -0.407 1
1 934 . 7 1 1 A 79 79 ILE HA H 76 3.443 3.763 -0.320 1
1 944 . 7 1 1 A 79 79 ILE CA C 76 61.950 62.379 -0.429 1
1 945 . 7 1 1 A 79 79 ILE CB C 76 40.800 38.420 2.380 1
1 949 . 7 1 1 A 79 79 ILE N N 76 126.287 128.979 -2.692 1
1 950 . 7 1 1 A 80 80 SER H H 77 7.180 7.688 -0.508 1
1 951 . 7 1 1 A 80 80 SER HA H 77 4.506 5.267 -0.761 1
1 954 . 7 1 1 A 80 80 SER CA C 77 57.464 57.662 -0.198 1
1 955 . 7 1 1 A 80 80 SER CB C 77 64.912 66.873 -1.961 1
1 956 . 7 1 1 A 80 80 SER N N 77 111.625 114.635 -3.010 1
1 957 . 7 1 1 A 81 81 VAL H H 78 8.641 8.960 -0.319 1
1 958 . 7 1 1 A 81 81 VAL HA H 78 5.066 5.096 -0.030 1
1 966 . 7 1 1 A 81 81 VAL CA C 78 60.913 60.775 0.138 1
1 967 . 7 1 1 A 81 81 VAL CB C 78 35.010 35.044 -0.034 1
1 970 . 7 1 1 A 81 81 VAL N N 78 126.742 124.344 2.398 1
1 971 . 7 1 1 A 82 82 GLY H H 79 8.658 8.332 0.326 1
1 972 . 7 1 1 A 82 82 GLY HA2 H 79 4.370 4.276 0.094 1
1 973 . 7 1 1 A 82 82 GLY HA3 H 79 4.160 4.466 -0.306 1
1 974 . 7 1 1 A 82 82 GLY CA C 79 46.036 44.612 1.424 1
1 975 . 7 1 1 A 82 82 GLY N N 79 111.223 112.140 -0.917 1
1 976 . 7 1 1 A 83 83 LYS H H 80 8.569 8.326 0.243 1
1 977 . 7 1 1 A 83 83 LYS HA H 80 4.369 4.699 -0.330 1
1 986 . 7 1 1 A 83 83 LYS CA C 80 54.855 54.566 0.289 1
1 987 . 7 1 1 A 83 83 LYS CB C 80 34.866 34.350 0.516 1
1 991 . 7 1 1 A 83 83 LYS N N 80 121.257 121.406 -0.149 1
1 992 . 7 1 1 A 84 84 ALA H H 81 8.334 8.452 -0.118 1
1 993 . 7 1 1 A 84 84 ALA HA H 81 4.274 5.034 -0.760 1
1 997 . 7 1 1 A 84 84 ALA CA C 81 52.003 50.626 1.377 1
1 998 . 7 1 1 A 84 84 ALA CB C 81 19.185 23.813 -4.628 1
1 999 . 7 1 1 A 84 84 ALA N N 81 126.662 122.572 4.090 1
1 1000 . 7 1 1 A 85 85 GLU H H 82 8.638 8.555 0.083 1
1 1001 . 7 1 1 A 85 85 GLU HA H 82 4.214 4.251 -0.037 1
1 1006 . 7 1 1 A 85 85 GLU CA C 82 56.366 56.673 -0.307 1
1 1007 . 7 1 1 A 85 85 GLU CB C 82 30.238 29.651 0.587 1
1 1009 . 7 1 1 A 85 85 GLU N N 82 121.819 120.041 1.778 1
1 1010 . 7 1 1 A 86 86 ALA H H 83 8.462 8.462 0.000 1
1 1011 . 7 1 1 A 86 86 ALA HA H 83 4.341 4.746 -0.405 1
1 1015 . 7 1 1 A 86 86 ALA CA C 83 52.156 51.316 0.840 1
1 1016 . 7 1 1 A 86 86 ALA CB C 83 19.206 20.167 -0.961 1
1 1017 . 7 1 1 A 86 86 ALA N N 83 125.350 129.171 -3.821 1
1 1018 . 7 1 1 A 87 87 SER H H 84 8.309 8.469 -0.160 1
1 1019 . 7 1 1 A 87 87 SER HA H 84 4.400 4.548 -0.148 1
1 1022 . 7 1 1 A 87 87 SER CA C 84 58.058 60.660 -2.602 1
1 1023 . 7 1 1 A 87 87 SER CB C 84 63.845 64.348 -0.503 1
1 1024 . 7 1 1 A 87 87 SER N N 84 115.397 112.397 3.000 1
1 1025 . 7 1 1 A 88 88 GLU H H 85 8.443 8.667 -0.224 1
1 1026 . 7 1 1 A 88 88 GLU HA H 85 4.318 4.196 0.122 1
1 1031 . 7 1 1 A 88 88 GLU CA C 85 56.465 55.330 1.135 1
1 1032 . 7 1 1 A 88 88 GLU CB C 85 30.464 30.505 -0.041 1
1 1034 . 7 1 1 A 88 88 GLU N N 85 122.947 116.238 6.709 1
1 1035 . 7 1 1 A 89 89 VAL H H 86 8.098 7.573 0.525 1
1 1036 . 7 1 1 A 89 89 VAL HA H 86 4.044 3.735 0.309 1
1 1044 . 7 1 1 A 89 89 VAL CA C 86 62.293 64.863 -2.570 1
1 1045 . 7 1 1 A 89 89 VAL CB C 86 32.703 31.475 1.228 1
1 1048 . 7 1 1 A 89 89 VAL N N 86 120.884 120.878 0.006 1
1 1049 . 7 1 1 A 90 90 TYR H H 87 8.313 8.055 0.258 1
1 1050 . 7 1 1 A 90 90 TYR HA H 87 4.623 4.487 0.136 1
1 1057 . 7 1 1 A 90 90 TYR CA C 87 57.791 58.286 -0.495 1
1 1058 . 7 1 1 A 90 90 TYR CB C 87 38.795 37.875 0.920 1
1 1061 . 7 1 1 A 90 90 TYR N N 87 124.634 120.064 4.570 1
1 1062 . 7 1 1 A 91 91 SER H H 88 8.140 7.702 0.438 1
1 1063 . 7 1 1 A 91 91 SER HA H 88 4.411 4.714 -0.303 1
1 1066 . 7 1 1 A 91 91 SER CA C 88 58.396 60.219 -1.823 1
1 1067 . 7 1 1 A 91 91 SER CB C 88 63.703 63.274 0.429 1
1 1068 . 7 1 1 A 91 91 SER N N 88 118.447 117.335 1.112 1
1 1069 . 7 1 1 A 92 92 GLU H H 89 8.400 7.865 0.535 1
1 1070 . 7 1 1 A 92 92 GLU HA H 89 4.245 4.113 0.132 1
1 1075 . 7 1 1 A 92 92 GLU CA C 89 56.465 58.988 -2.523 1
1 1076 . 7 1 1 A 92 92 GLU CB C 89 29.471 29.961 -0.490 1
1 1078 . 7 1 1 A 92 92 GLU N N 89 122.947 121.324 1.623 1
1 1079 . 7 1 1 A 93 93 ALA H H 90 8.224 7.100 1.124 1
1 1080 . 7 1 1 A 93 93 ALA HA H 90 4.287 4.345 -0.058 1
1 1084 . 7 1 1 A 93 93 ALA CA C 90 52.598 51.938 0.660 1
1 1085 . 7 1 1 A 93 93 ALA CB C 90 18.864 18.283 0.581 1
1 1086 . 7 1 1 A 93 93 ALA N N 90 124.404 121.834 2.570 1
1 1087 . 7 1 1 A 94 94 VAL H H 91 7.971 7.957 0.014 1
1 1088 . 7 1 1 A 94 94 VAL HA H 91 4.060 4.604 -0.544 1
1 1096 . 7 1 1 A 94 94 VAL CA C 91 62.072 61.175 0.897 1
1 1097 . 7 1 1 A 94 94 VAL CB C 91 32.601 32.931 -0.330 1
1 1100 . 7 1 1 A 94 94 VAL N N 91 119.330 119.193 0.137 1
1 1101 . 7 1 1 A 95 95 LYS H H 92 8.271 8.462 -0.191 1
1 1102 . 7 1 1 A 95 95 LYS HA H 92 4.313 4.668 -0.355 1
1 1111 . 7 1 1 A 95 95 LYS CA C 92 56.078 55.739 0.339 1
1 1112 . 7 1 1 A 95 95 LYS CB C 92 32.924 32.545 0.379 1
1 1116 . 7 1 1 A 95 95 LYS N N 92 124.941 121.026 3.915 1
1 1117 . 7 1 1 A 96 96 ARG H H 93 8.317 7.932 0.385 1
1 1118 . 7 1 1 A 96 96 ARG HA H 93 4.360 4.257 0.103 1
1 1125 . 7 1 1 A 96 96 ARG CA C 93 55.901 57.190 -1.289 1
1 1126 . 7 1 1 A 96 96 ARG CB C 93 30.906 30.471 0.435 1
1 1129 . 7 1 1 A 96 96 ARG N N 93 122.918 117.216 5.702 1
1 1130 . 7 1 1 A 97 97 ILE H H 94 8.251 7.312 0.939 1
1 1131 . 7 1 1 A 97 97 ILE HA H 94 4.184 4.706 -0.522 1
1 1141 . 7 1 1 A 97 97 ILE CA C 94 60.946 58.870 2.076 1
1 1142 . 7 1 1 A 97 97 ILE CB C 94 38.298 40.677 -2.379 1
1 1146 . 7 1 1 A 97 97 ILE N N 94 123.301 114.916 8.385 1
1 1191 . 7 2 2 B 5 5 GLN H H 48 8.533 9.041 -0.508 1
1 1192 . 7 2 2 B 5 5 GLN HA H 48 4.390 4.653 -0.263 1
1 1199 . 7 2 2 B 5 5 GLN C C 48 175.953 175.531 0.422 1
1 1200 . 7 2 2 B 5 5 GLN CA C 48 55.760 57.056 -1.296 1
1 1201 . 7 2 2 B 5 5 GLN CB C 48 29.225 31.363 -2.138 1
1 1203 . 7 2 2 B 5 5 GLN N N 48 122.121 123.398 -1.277 1
1 1205 . 7 2 2 B 6 6 THR H H 49 8.281 7.523 0.758 1
1 1206 . 7 2 2 B 6 6 THR HA H 49 4.316 4.502 -0.186 1
1 1211 . 7 2 2 B 6 6 THR C C 49 174.156 172.297 1.859 1
1 1212 . 7 2 2 B 6 6 THR CA C 49 61.724 60.707 1.017 1
1 1213 . 7 2 2 B 6 6 THR CB C 49 69.452 69.749 -0.297 1
1 1215 . 7 2 2 B 6 6 THR N N 49 116.639 109.958 6.681 1
1 1216 . 7 2 2 B 7 7 LEU H H 50 8.328 8.765 -0.437 1
1 1217 . 7 2 2 B 7 7 LEU HA H 50 4.381 4.533 -0.152 1
1 1227 . 7 2 2 B 7 7 LEU C C 50 176.985 176.474 0.511 1
1 1228 . 7 2 2 B 7 7 LEU CA C 50 55.093 54.477 0.616 1
1 1229 . 7 2 2 B 7 7 LEU CB C 50 42.122 40.494 1.628 1
1 1233 . 7 2 2 B 7 7 LEU N N 50 125.001 125.184 -0.183 1
1 1234 . 7 2 2 B 8 8 LEU H H 51 8.264 8.017 0.247 1
1 1235 . 7 2 2 B 8 8 LEU HA H 51 4.410 4.989 -0.579 1
1 1245 . 7 2 2 B 8 8 LEU C C 51 177.235 175.827 1.408 1
1 1246 . 7 2 2 B 8 8 LEU CA C 51 54.936 53.279 1.657 1
1 1247 . 7 2 2 B 8 8 LEU CB C 51 42.292 44.026 -1.734 1
1 1251 . 7 2 2 B 8 8 LEU N N 51 123.073 121.484 1.589 1
1 1252 . 7 2 2 B 9 9 SER H H 52 8.499 9.044 -0.545 1
1 1253 . 7 2 2 B 9 9 SER HA H 52 4.410 4.768 -0.358 1
1 1256 . 7 2 2 B 9 9 SER C C 52 174.083 172.462 1.621 1
1 1257 . 7 2 2 B 9 9 SER CA C 52 57.757 56.188 1.569 1
1 1258 . 7 2 2 B 9 9 SER CB C 52 63.734 65.055 -1.321 1
1 1259 . 7 2 2 B 9 9 SER N N 52 117.150 114.784 2.366 1
1 1260 . 7 2 2 B 10 10 ASP H H 53 8.416 8.749 -0.333 1
1 1261 . 7 2 2 B 10 10 ASP HA H 53 4.575 4.812 -0.237 1
1 1264 . 7 2 2 B 10 10 ASP C C 53 176.911 177.039 -0.128 1
1 1265 . 7 2 2 B 10 10 ASP CA C 53 54.678 54.325 0.353 1
1 1266 . 7 2 2 B 10 10 ASP CB C 53 40.771 41.163 -0.392 1
1 1267 . 7 2 2 B 10 10 ASP N N 53 122.632 122.182 0.450 1
1 1268 . 7 2 2 B 11 11 GLU H H 54 8.486 8.657 -0.171 1
1 1269 . 7 2 2 B 11 11 GLU HA H 54 4.155 4.067 0.088 1
1 1274 . 7 2 2 B 11 11 GLU C C 54 177.220 178.645 -1.425 1
1 1275 . 7 2 2 B 11 11 GLU CA C 54 58.488 59.467 -0.979 1
1 1276 . 7 2 2 B 11 11 GLU CB C 54 29.615 28.937 0.678 1
1 1278 . 7 2 2 B 11 11 GLU N N 54 121.842 119.428 2.414 1
1 1279 . 7 2 2 B 12 12 ASP H H 55 8.301 8.211 0.090 1
1 1280 . 7 2 2 B 12 12 ASP HA H 55 4.470 4.348 0.122 1
1 1283 . 7 2 2 B 12 12 ASP C C 55 177.161 178.630 -1.469 1
1 1284 . 7 2 2 B 12 12 ASP CA C 55 55.901 57.136 -1.235 1
1 1285 . 7 2 2 B 12 12 ASP CB C 55 40.503 40.245 0.258 1
1 1286 . 7 2 2 B 12 12 ASP N N 55 120.309 120.595 -0.286 1
1 1287 . 7 2 2 B 13 13 ALA H H 56 8.114 7.953 0.161 1
1 1288 . 7 2 2 B 13 13 ALA HA H 56 3.986 4.001 -0.015 1
1 1292 . 7 2 2 B 13 13 ALA C C 56 180.446 179.408 1.038 1
1 1293 . 7 2 2 B 13 13 ALA CA C 56 55.422 54.666 0.756 1
1 1294 . 7 2 2 B 13 13 ALA CB C 56 18.001 18.206 -0.205 1
1 1295 . 7 2 2 B 13 13 ALA N N 56 122.864 122.801 0.063 1
1 1296 . 7 2 2 B 14 14 GLU H H 57 8.105 7.651 0.454 1
1 1297 . 7 2 2 B 14 14 GLU HA H 57 4.010 4.160 -0.150 1
1 1302 . 7 2 2 B 14 14 GLU C C 57 178.914 178.917 -0.003 1
1 1303 . 7 2 2 B 14 14 GLU CA C 57 59.175 58.476 0.699 1
1 1304 . 7 2 2 B 14 14 GLU CB C 57 28.904 29.933 -1.029 1
1 1306 . 7 2 2 B 14 14 GLU N N 57 117.931 117.838 0.093 1
1 1307 . 7 2 2 B 15 15 LEU H H 58 7.813 8.166 -0.353 1
1 1308 . 7 2 2 B 15 15 LEU HA H 58 4.062 4.030 0.032 1
1 1318 . 7 2 2 B 15 15 LEU C C 58 178.634 179.516 -0.882 1
1 1319 . 7 2 2 B 15 15 LEU CA C 58 56.960 58.117 -1.157 1
1 1320 . 7 2 2 B 15 15 LEU CB C 58 41.973 41.444 0.529 1
1 1324 . 7 2 2 B 15 15 LEU N N 58 119.867 120.372 -0.505 1
1 1325 . 7 2 2 B 16 16 VAL H H 59 8.491 7.845 0.646 1
1 1326 . 7 2 2 B 16 16 VAL HA H 59 3.365 3.884 -0.519 1
1 1334 . 7 2 2 B 16 16 VAL C C 59 177.147 177.524 -0.377 1
1 1335 . 7 2 2 B 16 16 VAL CA C 59 67.142 65.398 1.744 1
1 1336 . 7 2 2 B 16 16 VAL CB C 59 31.176 31.430 -0.254 1
1 1339 . 7 2 2 B 16 16 VAL N N 59 118.357 115.371 2.986 1
1 1340 . 7 2 2 B 17 17 GLU H H 60 7.411 8.028 -0.617 1
1 1341 . 7 2 2 B 17 17 GLU HA H 60 4.015 4.098 -0.083 1
1 1346 . 7 2 2 B 17 17 GLU C C 60 179.636 178.652 0.984 1
1 1347 . 7 2 2 B 17 17 GLU CA C 60 59.203 59.047 0.156 1
1 1348 . 7 2 2 B 17 17 GLU CB C 60 28.970 29.188 -0.218 1
1 1350 . 7 2 2 B 17 17 GLU N N 60 117.103 120.446 -3.343 1
1 1351 . 7 2 2 B 18 18 ILE H H 61 7.574 7.728 -0.154 1
1 1352 . 7 2 2 B 18 18 ILE HA H 61 3.830 3.694 0.136 1
1 1362 . 7 2 2 B 18 18 ILE C C 61 178.001 178.395 -0.394 1
1 1363 . 7 2 2 B 18 18 ILE CA C 61 63.982 65.005 -1.023 1
1 1364 . 7 2 2 B 18 18 ILE CB C 61 38.483 37.855 0.628 1
1 1368 . 7 2 2 B 18 18 ILE N N 61 120.727 121.520 -0.793 1
1 1369 . 7 2 2 B 19 19 VAL H H 62 8.294 8.181 0.113 1
1 1370 . 7 2 2 B 19 19 VAL HA H 62 3.360 3.808 -0.448 1
1 1378 . 7 2 2 B 19 19 VAL C C 62 177.338 177.942 -0.604 1
1 1379 . 7 2 2 B 19 19 VAL CA C 62 66.364 65.288 1.076 1
1 1380 . 7 2 2 B 19 19 VAL CB C 62 31.203 31.584 -0.381 1
1 1383 . 7 2 2 B 19 19 VAL N N 62 119.635 121.606 -1.971 1
1 1384 . 7 2 2 B 20 20 LYS H H 63 8.780 8.041 0.739 1
1 1385 . 7 2 2 B 20 20 LYS HA H 63 3.784 4.005 -0.221 1
1 1394 . 7 2 2 B 20 20 LYS C C 63 179.209 178.769 0.440 1
1 1395 . 7 2 2 B 20 20 LYS CA C 63 60.096 58.885 1.211 1
1 1396 . 7 2 2 B 20 20 LYS CB C 63 32.673 31.898 0.775 1
1 1400 . 7 2 2 B 20 20 LYS N N 63 118.009 120.605 -2.596 1
1 1401 . 7 2 2 B 21 21 GLU H H 64 7.567 7.843 -0.276 1
1 1402 . 7 2 2 B 21 21 GLU HA H 64 4.084 4.051 0.033 1
1 1407 . 7 2 2 B 21 21 GLU C C 64 179.592 179.692 -0.100 1
1 1408 . 7 2 2 B 21 21 GLU CA C 64 58.728 59.334 -0.606 1
1 1409 . 7 2 2 B 21 21 GLU CB C 64 28.974 29.340 -0.366 1
1 1411 . 7 2 2 B 21 21 GLU N N 64 117.452 119.677 -2.225 1
1 1412 . 7 2 2 B 22 22 ARG H H 65 8.156 8.028 0.128 1
1 1413 . 7 2 2 B 22 22 ARG HA H 65 4.053 4.094 -0.041 1
1 1420 . 7 2 2 B 22 22 ARG C C 65 177.986 177.706 0.280 1
1 1421 . 7 2 2 B 22 22 ARG CA C 65 61.243 58.290 2.953 1
1 1422 . 7 2 2 B 22 22 ARG CB C 65 29.980 30.256 -0.276 1
1 1425 . 7 2 2 B 22 22 ARG N N 65 119.635 119.986 -0.351 1
1 1426 . 7 2 2 B 23 23 LEU H H 66 8.436 7.828 0.608 1
1 1427 . 7 2 2 B 23 23 LEU HA H 66 4.106 4.115 -0.009 1
1 1437 . 7 2 2 B 23 23 LEU C C 66 178.620 178.408 0.212 1
1 1438 . 7 2 2 B 23 23 LEU CA C 66 56.667 55.815 0.852 1
1 1439 . 7 2 2 B 23 23 LEU CB C 66 41.465 41.764 -0.299 1
1 1443 . 7 2 2 B 23 23 LEU N N 66 115.686 116.899 -1.213 1
1 1444 . 7 2 2 B 24 24 ARG H H 67 7.404 8.279 -0.875 1
1 1445 . 7 2 2 B 24 24 ARG HA H 67 4.165 4.281 -0.116 1
1 1452 . 7 2 2 B 24 24 ARG C C 67 177.147 176.266 0.881 1
1 1453 . 7 2 2 B 24 24 ARG CA C 67 59.004 57.450 1.554 1
1 1454 . 7 2 2 B 24 24 ARG CB C 67 30.472 30.707 -0.235 1
1 1457 . 7 2 2 B 24 24 ARG N N 67 118.427 116.528 1.899 1
1 1458 . 7 2 2 B 25 25 ASN H H 68 7.322 7.682 -0.360 1
1 1459 . 7 2 2 B 25 25 ASN HA H 68 5.064 5.084 -0.020 1
1 1464 . 7 2 2 B 25 25 ASN CA C 68 51.014 50.957 0.057 1
1 1465 . 7 2 2 B 25 25 ASN CB C 68 38.696 38.269 0.427 1
1 1466 . 7 2 2 B 25 25 ASN N N 68 114.083 117.470 -3.387 1
1 1468 . 7 2 2 B 26 26 PRO HA H 69 4.521 4.382 0.139 1
1 1475 . 7 2 2 B 26 26 PRO C C 69 177.323 177.034 0.289 1
1 1476 . 7 2 2 B 26 26 PRO CA C 69 63.698 65.688 -1.990 1
1 1477 . 7 2 2 B 26 26 PRO CB C 69 33.286 31.788 1.498 1
1 1480 . 7 2 2 B 27 27 LYS H H 70 8.672 7.961 0.711 1
1 1481 . 7 2 2 B 27 27 LYS HA H 70 4.980 3.964 1.016 1
1 1490 . 7 2 2 B 27 27 LYS CA C 70 52.767 56.535 -3.768 1
1 1491 . 7 2 2 B 27 27 LYS CB C 70 33.540 31.041 2.499 1
1 1495 . 7 2 2 B 27 27 LYS N N 70 121.210 115.130 6.080 1
1 1496 . 7 2 2 B 28 28 PRO HA H 71 4.467 4.676 -0.209 1
1 1503 . 7 2 2 B 28 28 PRO C C 71 177.235 175.709 1.526 1
1 1504 . 7 2 2 B 28 28 PRO CA C 71 63.859 62.362 1.497 1
1 1505 . 7 2 2 B 28 28 PRO CB C 71 32.632 32.737 -0.105 1
1 1508 . 7 2 2 B 29 29 VAL H H 72 9.036 8.504 0.532 1
1 1509 . 7 2 2 B 29 29 VAL HA H 72 4.155 4.500 -0.345 1
1 1517 . 7 2 2 B 29 29 VAL C C 72 174.554 174.914 -0.360 1
1 1518 . 7 2 2 B 29 29 VAL CA C 72 61.506 61.133 0.373 1
1 1519 . 7 2 2 B 29 29 VAL CB C 72 34.764 33.505 1.259 1
1 1522 . 7 2 2 B 29 29 VAL N N 72 124.322 121.476 2.846 1
1 1523 . 7 2 2 B 30 30 ARG H H 73 8.437 8.713 -0.276 1
1 1524 . 7 2 2 B 30 30 ARG HA H 73 5.195 4.634 0.561 1
1 1531 . 7 2 2 B 30 30 ARG C C 73 176.248 176.071 0.177 1
1 1532 . 7 2 2 B 30 30 ARG CA C 73 55.189 56.338 -1.149 1
1 1533 . 7 2 2 B 30 30 ARG CB C 73 27.764 30.614 -2.850 1
1 1536 . 7 2 2 B 30 30 ARG N N 73 129.461 128.518 0.943 1
1 1537 . 7 2 2 B 31 31 VAL H H 74 8.822 8.867 -0.045 1
1 1538 . 7 2 2 B 31 31 VAL HA H 74 4.889 5.256 -0.367 1
1 1546 . 7 2 2 B 31 31 VAL C C 74 173.965 173.947 0.018 1
1 1547 . 7 2 2 B 31 31 VAL CA C 74 59.055 59.315 -0.260 1
1 1548 . 7 2 2 B 31 31 VAL CB C 74 35.653 36.090 -0.437 1
1 1551 . 7 2 2 B 31 31 VAL N N 74 123.375 120.042 3.333 1
1 1552 . 7 2 2 B 32 32 THR H H 75 7.855 8.204 -0.349 1
1 1553 . 7 2 2 B 32 32 THR HA H 75 4.730 5.002 -0.272 1
1 1558 . 7 2 2 B 32 32 THR C C 75 175.865 175.224 0.641 1
1 1559 . 7 2 2 B 32 32 THR CA C 75 59.052 59.239 -0.187 1
1 1560 . 7 2 2 B 32 32 THR CB C 75 71.228 72.002 -0.774 1
1 1562 . 7 2 2 B 32 32 THR N N 75 109.507 110.150 -0.643 1
1 1563 . 7 2 2 B 33 33 LEU H H 76 8.841 8.916 -0.075 1
1 1564 . 7 2 2 B 33 33 LEU HA H 76 3.773 3.975 -0.202 1
1 1574 . 7 2 2 B 33 33 LEU C C 76 178.737 178.789 -0.052 1
1 1575 . 7 2 2 B 33 33 LEU CA C 76 57.892 57.716 0.176 1
1 1576 . 7 2 2 B 33 33 LEU CB C 76 41.057 41.617 -0.560 1
1 1580 . 7 2 2 B 33 33 LEU N N 76 121.099 122.151 -1.052 1
1 1581 . 7 2 2 B 34 34 ASP H H 77 7.983 8.151 -0.168 1
1 1582 . 7 2 2 B 34 34 ASP HA H 77 4.431 4.386 0.045 1
1 1585 . 7 2 2 B 34 34 ASP C C 77 177.088 177.766 -0.678 1
1 1586 . 7 2 2 B 34 34 ASP CA C 77 55.837 57.464 -1.627 1
1 1587 . 7 2 2 B 34 34 ASP CB C 77 40.498 41.483 -0.985 1
1 1588 . 7 2 2 B 34 34 ASP N N 77 113.851 119.789 -5.938 1
1 1589 . 7 2 2 B 35 35 GLU H H 78 7.561 8.154 -0.593 1
1 1590 . 7 2 2 B 35 35 GLU HA H 78 4.320 4.235 0.085 1
1 1595 . 7 2 2 B 35 35 GLU C C 78 175.482 177.007 -1.525 1
1 1596 . 7 2 2 B 35 35 GLU CA C 78 55.918 57.776 -1.858 1
1 1597 . 7 2 2 B 35 35 GLU CB C 78 30.767 29.750 1.017 1
1 1599 . 7 2 2 B 35 35 GLU N N 78 117.508 116.221 1.287 1
1 15 . 8 1 1 A 5 5 ALA H H 2 8.098 8.888 -0.790 1
1 16 . 8 1 1 A 5 5 ALA HA H 2 4.389 4.176 0.213 1
1 20 . 8 1 1 A 5 5 ALA CA C 2 51.852 53.956 -2.104 1
1 21 . 8 1 1 A 5 5 ALA CB C 2 19.420 19.885 -0.465 1
1 22 . 8 1 1 A 5 5 ALA N N 2 125.572 126.950 -1.378 1
1 23 . 8 1 1 A 6 6 TYR H H 3 8.402 7.768 0.634 1
1 24 . 8 1 1 A 6 6 TYR HA H 3 4.236 4.614 -0.378 1
1 31 . 8 1 1 A 6 6 TYR CA C 3 57.802 57.027 0.775 1
1 32 . 8 1 1 A 6 6 TYR CB C 3 39.608 40.173 -0.565 1
1 35 . 8 1 1 A 6 6 TYR N N 3 120.730 116.452 4.278 1
1 36 . 8 1 1 A 7 7 PHE H H 4 8.958 8.863 0.095 1
1 37 . 8 1 1 A 7 7 PHE HA H 4 4.509 4.782 -0.273 1
1 45 . 8 1 1 A 7 7 PHE CA C 4 57.936 57.870 0.066 1
1 46 . 8 1 1 A 7 7 PHE CB C 4 40.613 40.175 0.438 1
1 50 . 8 1 1 A 7 7 PHE N N 4 118.436 122.022 -3.586 1
1 51 . 8 1 1 A 8 8 LEU H H 5 8.711 8.672 0.039 1
1 52 . 8 1 1 A 8 8 LEU HA H 5 5.336 5.295 0.041 1
1 62 . 8 1 1 A 8 8 LEU CA C 5 53.391 53.696 -0.305 1
1 63 . 8 1 1 A 8 8 LEU CB C 5 44.716 45.677 -0.961 1
1 67 . 8 1 1 A 8 8 LEU N N 5 122.810 122.085 0.725 1
1 68 . 8 1 1 A 9 9 ASP H H 6 9.145 8.898 0.247 1
1 69 . 8 1 1 A 9 9 ASP HA H 6 5.999 5.449 0.550 1
1 72 . 8 1 1 A 9 9 ASP CA C 6 51.759 53.068 -1.309 1
1 73 . 8 1 1 A 9 9 ASP CB C 6 44.757 45.123 -0.366 1
1 74 . 8 1 1 A 9 9 ASP N N 6 124.570 125.842 -1.272 1
1 75 . 8 1 1 A 10 10 PHE H H 7 9.884 9.280 0.604 1
1 76 . 8 1 1 A 10 10 PHE HA H 7 5.231 5.249 -0.018 1
1 83 . 8 1 1 A 10 10 PHE CA C 7 55.321 56.825 -1.504 1
1 84 . 8 1 1 A 10 10 PHE CB C 7 42.863 43.367 -0.504 1
1 88 . 8 1 1 A 10 10 PHE N N 7 123.156 119.710 3.446 1
1 89 . 8 1 1 A 11 11 ASP H H 8 8.986 8.804 0.182 1
1 90 . 8 1 1 A 11 11 ASP HA H 8 4.924 4.919 0.005 1
1 93 . 8 1 1 A 11 11 ASP CA C 8 55.122 54.741 0.381 1
1 94 . 8 1 1 A 11 11 ASP CB C 8 44.453 42.909 1.544 1
1 95 . 8 1 1 A 11 11 ASP N N 8 123.103 124.419 -1.316 1
1 96 . 8 1 1 A 12 12 GLU H H 9 9.685 9.129 0.556 1
1 97 . 8 1 1 A 12 12 GLU HA H 9 3.984 4.040 -0.056 1
1 102 . 8 1 1 A 12 12 GLU CA C 9 60.974 59.882 1.092 1
1 103 . 8 1 1 A 12 12 GLU CB C 9 31.222 29.460 1.762 1
1 105 . 8 1 1 A 12 12 GLU N N 9 128.730 126.401 2.329 1
1 106 . 8 1 1 A 13 13 ARG H H 10 9.626 8.142 1.484 1
1 107 . 8 1 1 A 13 13 ARG HA H 10 4.063 4.041 0.022 1
1 114 . 8 1 1 A 13 13 ARG CA C 10 59.013 59.033 -0.020 1
1 115 . 8 1 1 A 13 13 ARG CB C 10 30.124 30.117 0.007 1
1 118 . 8 1 1 A 13 13 ARG N N 10 117.930 119.423 -1.493 1
1 119 . 8 1 1 A 14 14 ALA H H 11 7.268 8.582 -1.314 1
1 120 . 8 1 1 A 14 14 ALA HA H 11 5.323 4.236 1.087 1
1 124 . 8 1 1 A 14 14 ALA CA C 11 53.013 55.055 -2.042 1
1 125 . 8 1 1 A 14 14 ALA CB C 11 18.072 18.780 -0.708 1
1 126 . 8 1 1 A 14 14 ALA N N 11 122.063 122.153 -0.090 1
1 127 . 8 1 1 A 15 15 LEU H H 12 8.773 8.131 0.642 1
1 128 . 8 1 1 A 15 15 LEU HA H 12 4.318 3.184 1.134 1
1 138 . 8 1 1 A 15 15 LEU CA C 12 57.404 57.753 -0.349 1
1 139 . 8 1 1 A 15 15 LEU CB C 12 41.842 41.665 0.177 1
1 143 . 8 1 1 A 15 15 LEU N N 12 121.956 118.912 3.044 1
1 144 . 8 1 1 A 16 16 LYS H H 13 7.515 7.609 -0.094 1
1 145 . 8 1 1 A 16 16 LYS HA H 13 4.099 3.805 0.294 1
1 154 . 8 1 1 A 16 16 LYS CA C 13 59.837 59.486 0.351 1
1 155 . 8 1 1 A 16 16 LYS CB C 13 32.297 31.846 0.451 1
1 159 . 8 1 1 A 16 16 LYS N N 13 118.250 117.075 1.175 1
1 160 . 8 1 1 A 17 17 GLU H H 14 7.416 7.970 -0.554 1
1 161 . 8 1 1 A 17 17 GLU HA H 14 3.959 4.038 -0.079 1
1 166 . 8 1 1 A 17 17 GLU CA C 14 59.458 59.426 0.032 1
1 167 . 8 1 1 A 17 17 GLU CB C 14 29.644 29.631 0.013 1
1 169 . 8 1 1 A 17 17 GLU N N 14 118.330 119.541 -1.211 1
1 170 . 8 1 1 A 18 18 TRP H H 15 9.095 7.858 1.237 1
1 171 . 8 1 1 A 18 18 TRP HA H 15 4.013 4.568 -0.555 1
1 178 . 8 1 1 A 18 18 TRP CA C 15 60.476 59.618 0.858 1
1 179 . 8 1 1 A 18 18 TRP CB C 15 29.644 27.877 1.767 1
1 182 . 8 1 1 A 18 18 TRP N N 15 121.770 118.403 3.367 1
1 183 . 8 1 1 A 19 19 ARG H H 16 8.060 7.246 0.814 1
1 184 . 8 1 1 A 19 19 ARG HA H 16 4.030 4.172 -0.142 1
1 191 . 8 1 1 A 19 19 ARG CA C 16 57.993 57.594 0.399 1
1 192 . 8 1 1 A 19 19 ARG CB C 16 29.948 30.027 -0.079 1
1 195 . 8 1 1 A 19 19 ARG N N 16 113.396 120.269 -6.873 1
1 196 . 8 1 1 A 20 20 LYS H H 17 7.274 7.638 -0.364 1
1 197 . 8 1 1 A 20 20 LYS HA H 17 4.311 4.435 -0.124 1
1 206 . 8 1 1 A 20 20 LYS CA C 17 57.183 57.073 0.110 1
1 207 . 8 1 1 A 20 20 LYS CB C 17 32.106 32.371 -0.265 1
1 211 . 8 1 1 A 20 20 LYS N N 17 116.232 114.500 1.732 1
1 212 . 8 1 1 A 21 21 LEU H H 18 7.359 7.269 0.090 1
1 213 . 8 1 1 A 21 21 LEU HA H 18 4.074 4.845 -0.771 1
1 223 . 8 1 1 A 21 21 LEU CA C 18 54.367 53.105 1.262 1
1 224 . 8 1 1 A 21 21 LEU CB C 18 43.185 44.695 -1.510 1
1 228 . 8 1 1 A 21 21 LEU N N 18 119.903 116.516 3.387 1
1 229 . 8 1 1 A 22 22 GLY H H 19 8.455 8.346 0.109 1
1 230 . 8 1 1 A 22 22 GLY HA2 H 19 4.103 4.051 0.052 1
1 231 . 8 1 1 A 22 22 GLY HA3 H 19 3.888 4.086 -0.198 1
1 232 . 8 1 1 A 22 22 GLY CA C 19 44.739 45.340 -0.601 1
1 233 . 8 1 1 A 22 22 GLY N N 19 108.063 107.304 0.759 1
1 234 . 8 1 1 A 23 23 SER H H 20 8.711 8.939 -0.228 1
1 235 . 8 1 1 A 23 23 SER HA H 20 4.422 4.201 0.221 1
1 238 . 8 1 1 A 23 23 SER CA C 20 58.325 61.968 -3.643 1
1 239 . 8 1 1 A 23 23 SER CB C 20 63.754 62.325 1.429 1
1 240 . 8 1 1 A 23 23 SER N N 20 117.509 116.933 0.576 1
1 241 . 8 1 1 A 24 24 THR H H 21 8.273 7.954 0.319 1
1 242 . 8 1 1 A 24 24 THR HA H 21 4.026 3.972 0.054 1
1 247 . 8 1 1 A 24 24 THR CA C 21 65.605 66.421 -0.816 1
1 248 . 8 1 1 A 24 24 THR CB C 21 68.013 68.162 -0.149 1
1 250 . 8 1 1 A 24 24 THR N N 21 116.047 117.158 -1.111 1
1 251 . 8 1 1 A 25 25 VAL H H 22 7.075 7.973 -0.898 1
1 252 . 8 1 1 A 25 25 VAL HA H 22 3.507 3.430 0.077 1
1 260 . 8 1 1 A 25 25 VAL CA C 22 65.475 66.868 -1.393 1
1 261 . 8 1 1 A 25 25 VAL CB C 22 31.319 31.136 0.183 1
1 264 . 8 1 1 A 25 25 VAL N N 22 122.543 121.640 0.903 1
1 265 . 8 1 1 A 26 26 ARG H H 23 7.781 8.495 -0.714 1
1 266 . 8 1 1 A 26 26 ARG HA H 23 3.116 4.028 -0.912 1
1 273 . 8 1 1 A 26 26 ARG CA C 23 60.215 58.766 1.449 1
1 274 . 8 1 1 A 26 26 ARG CB C 23 30.555 30.015 0.540 1
1 277 . 8 1 1 A 26 26 ARG N N 23 118.490 119.974 -1.484 1
1 278 . 8 1 1 A 27 27 GLU H H 24 8.107 8.204 -0.097 1
1 279 . 8 1 1 A 27 27 GLU HA H 24 4.031 4.115 -0.084 1
1 284 . 8 1 1 A 27 27 GLU CA C 24 59.421 58.949 0.472 1
1 285 . 8 1 1 A 27 27 GLU CB C 24 29.126 29.337 -0.211 1
1 287 . 8 1 1 A 27 27 GLU N N 24 116.756 119.002 -2.246 1
1 288 . 8 1 1 A 28 28 GLN H H 25 7.760 7.878 -0.118 1
1 289 . 8 1 1 A 28 28 GLN HA H 25 4.097 4.010 0.087 1
1 296 . 8 1 1 A 28 28 GLN CA C 25 59.055 58.635 0.420 1
1 297 . 8 1 1 A 28 28 GLN CB C 25 29.925 27.787 2.138 1
1 299 . 8 1 1 A 28 28 GLN N N 25 118.410 119.218 -0.808 1
1 301 . 8 1 1 A 29 29 LEU H H 26 8.631 8.187 0.444 1
1 302 . 8 1 1 A 29 29 LEU HA H 26 4.145 4.030 0.115 1
1 312 . 8 1 1 A 29 29 LEU CA C 26 57.929 57.987 -0.058 1
1 313 . 8 1 1 A 29 29 LEU CB C 26 42.787 41.581 1.206 1
1 317 . 8 1 1 A 29 29 LEU N N 26 119.716 119.936 -0.220 1
1 318 . 8 1 1 A 30 30 LYS H H 27 9.183 8.062 1.121 1
1 319 . 8 1 1 A 30 30 LYS HA H 27 3.981 4.027 -0.046 1
1 328 . 8 1 1 A 30 30 LYS CA C 27 61.364 59.754 1.610 1
1 329 . 8 1 1 A 30 30 LYS CB C 27 32.137 31.880 0.257 1
1 333 . 8 1 1 A 30 30 LYS N N 27 120.836 118.398 2.438 1
1 334 . 8 1 1 A 31 31 LYS H H 28 7.580 7.670 -0.090 1
1 335 . 8 1 1 A 31 31 LYS HA H 28 4.050 4.100 -0.050 1
1 344 . 8 1 1 A 31 31 LYS CA C 28 59.586 59.530 0.056 1
1 345 . 8 1 1 A 31 31 LYS CB C 28 32.373 32.188 0.185 1
1 349 . 8 1 1 A 31 31 LYS N N 28 116.783 119.548 -2.765 1
1 350 . 8 1 1 A 32 32 LYS H H 29 7.300 7.665 -0.365 1
1 351 . 8 1 1 A 32 32 LYS HA H 29 4.090 4.095 -0.005 1
1 360 . 8 1 1 A 32 32 LYS CA C 29 57.130 58.541 -1.411 1
1 361 . 8 1 1 A 32 32 LYS N N 29 116.383 119.547 -3.164 1
1 362 . 8 1 1 A 33 33 LEU H H 30 8.722 7.794 0.928 1
1 363 . 8 1 1 A 33 33 LEU HA H 30 3.881 4.049 -0.168 1
1 373 . 8 1 1 A 33 33 LEU CA C 30 57.634 57.168 0.466 1
1 374 . 8 1 1 A 33 33 LEU CB C 30 42.116 41.508 0.608 1
1 378 . 8 1 1 A 33 33 LEU N N 30 121.770 119.233 2.537 1
1 379 . 8 1 1 A 34 34 VAL H H 31 8.067 7.921 0.146 1
1 380 . 8 1 1 A 34 34 VAL HA H 31 3.479 3.831 -0.352 1
1 388 . 8 1 1 A 34 34 VAL CA C 31 66.847 64.474 2.373 1
1 389 . 8 1 1 A 34 34 VAL CB C 31 31.860 31.599 0.261 1
1 392 . 8 1 1 A 34 34 VAL N N 31 118.116 118.803 -0.687 1
1 393 . 8 1 1 A 35 35 GLU H H 32 6.825 7.758 -0.933 1
1 394 . 8 1 1 A 35 35 GLU HA H 32 4.090 4.176 -0.086 1
1 399 . 8 1 1 A 35 35 GLU CA C 32 58.624 58.409 0.215 1
1 400 . 8 1 1 A 35 35 GLU CB C 32 29.746 29.778 -0.032 1
1 402 . 8 1 1 A 35 35 GLU N N 32 116.570 120.003 -3.433 1
1 403 . 8 1 1 A 36 36 VAL H H 33 7.785 7.405 0.380 1
1 404 . 8 1 1 A 36 36 VAL HA H 33 3.484 3.691 -0.207 1
1 412 . 8 1 1 A 36 36 VAL CA C 33 65.213 64.870 0.343 1
1 413 . 8 1 1 A 36 36 VAL CB C 33 31.932 31.235 0.697 1
1 416 . 8 1 1 A 36 36 VAL N N 33 120.618 120.552 0.066 1
1 417 . 8 1 1 A 37 37 LEU H H 34 7.956 7.758 0.198 1
1 418 . 8 1 1 A 37 37 LEU HA H 34 3.747 4.148 -0.401 1
1 428 . 8 1 1 A 37 37 LEU CA C 34 57.069 56.292 0.777 1
1 429 . 8 1 1 A 37 37 LEU CB C 34 40.916 41.606 -0.690 1
1 433 . 8 1 1 A 37 37 LEU N N 34 115.476 121.116 -5.640 1
1 434 . 8 1 1 A 38 38 GLU H H 35 7.042 7.529 -0.487 1
1 435 . 8 1 1 A 38 38 GLU HA H 35 4.395 4.402 -0.007 1
1 440 . 8 1 1 A 38 38 GLU CA C 35 57.553 57.814 -0.261 1
1 441 . 8 1 1 A 38 38 GLU CB C 35 30.234 30.954 -0.720 1
1 443 . 8 1 1 A 38 38 GLU N N 35 114.356 117.347 -2.991 1
1 444 . 8 1 1 A 39 39 SER H H 36 7.125 7.503 -0.378 1
1 445 . 8 1 1 A 39 39 SER HA H 36 4.593 4.705 -0.112 1
1 448 . 8 1 1 A 39 39 SER CA C 36 55.308 55.877 -0.569 1
1 449 . 8 1 1 A 39 39 SER CB C 36 62.305 63.994 -1.689 1
1 450 . 8 1 1 A 39 39 SER N N 36 109.796 112.162 -2.366 1
1 451 . 8 1 1 A 40 40 PRO HA H 37 4.360 4.413 -0.053 1
1 458 . 8 1 1 A 40 40 PRO CA C 37 64.802 63.534 1.268 1
1 459 . 8 1 1 A 40 40 PRO CB C 37 32.562 32.331 0.231 1
1 462 . 8 1 1 A 41 41 ARG H H 38 8.356 8.000 0.356 1
1 463 . 8 1 1 A 41 41 ARG HA H 38 3.271 4.200 -0.929 1
1 470 . 8 1 1 A 41 41 ARG CA C 38 56.364 55.357 1.007 1
1 471 . 8 1 1 A 41 41 ARG CB C 38 29.580 29.776 -0.196 1
1 474 . 8 1 1 A 41 41 ARG N N 38 120.882 119.805 1.077 1
1 475 . 8 1 1 A 42 42 ILE H H 39 5.973 7.339 -1.366 1
1 476 . 8 1 1 A 42 42 ILE HA H 39 4.216 4.492 -0.276 1
1 486 . 8 1 1 A 42 42 ILE CA C 39 60.301 60.496 -0.195 1
1 487 . 8 1 1 A 42 42 ILE CB C 39 38.705 38.958 -0.253 1
1 491 . 8 1 1 A 42 42 ILE N N 39 127.866 125.075 2.791 1
1 492 . 8 1 1 A 43 43 GLU H H 40 8.860 8.782 0.078 1
1 493 . 8 1 1 A 43 43 GLU HA H 40 4.218 4.271 -0.053 1
1 498 . 8 1 1 A 43 43 GLU CA C 40 59.945 58.990 0.955 1
1 499 . 8 1 1 A 43 43 GLU CB C 40 29.040 28.961 0.079 1
1 501 . 8 1 1 A 43 43 GLU N N 40 129.498 126.221 3.277 1
1 502 . 8 1 1 A 44 44 ALA H H 41 8.827 7.939 0.888 1
1 503 . 8 1 1 A 44 44 ALA HA H 41 4.241 4.125 0.116 1
1 507 . 8 1 1 A 44 44 ALA CA C 41 54.035 54.694 -0.659 1
1 508 . 8 1 1 A 44 44 ALA CB C 41 18.466 18.180 0.286 1
1 509 . 8 1 1 A 44 44 ALA N N 41 119.919 122.777 -2.858 1
1 510 . 8 1 1 A 45 45 ASN H H 42 8.184 7.850 0.334 1
1 511 . 8 1 1 A 45 45 ASN HA H 42 5.082 4.876 0.206 1
1 516 . 8 1 1 A 45 45 ASN CA C 42 51.401 53.502 -2.101 1
1 517 . 8 1 1 A 45 45 ASN CB C 42 38.684 39.213 -0.529 1
1 518 . 8 1 1 A 45 45 ASN N N 42 114.675 113.589 1.086 1
1 520 . 8 1 1 A 46 46 LYS H H 43 7.515 7.280 0.235 1
1 521 . 8 1 1 A 46 46 LYS HA H 43 3.741 4.391 -0.650 1
1 530 . 8 1 1 A 46 46 LYS CA C 43 57.354 56.428 0.926 1
1 531 . 8 1 1 A 46 46 LYS CB C 43 32.905 32.611 0.294 1
1 535 . 8 1 1 A 46 46 LYS N N 43 122.167 119.532 2.635 1
1 536 . 8 1 1 A 47 47 LEU H H 44 8.184 8.011 0.173 1
1 537 . 8 1 1 A 47 47 LEU HA H 44 4.297 4.546 -0.249 1
1 547 . 8 1 1 A 47 47 LEU CA C 44 53.422 54.680 -1.258 1
1 548 . 8 1 1 A 47 47 LEU CB C 44 42.208 43.649 -1.441 1
1 552 . 8 1 1 A 47 47 LEU N N 44 127.544 124.272 3.272 1
1 553 . 8 1 1 A 48 48 ARG H H 45 8.706 8.613 0.093 1
1 554 . 8 1 1 A 48 48 ARG HA H 45 3.918 4.448 -0.530 1
1 561 . 8 1 1 A 48 48 ARG CA C 45 57.765 56.013 1.752 1
1 562 . 8 1 1 A 48 48 ARG CB C 45 29.686 30.148 -0.462 1
1 565 . 8 1 1 A 48 48 ARG N N 45 128.641 126.613 2.028 1
1 566 . 8 1 1 A 49 49 GLY H H 46 8.543 8.421 0.122 1
1 567 . 8 1 1 A 49 49 GLY HA2 H 46 4.129 4.017 0.112 1
1 568 . 8 1 1 A 49 49 GLY HA3 H 46 3.662 4.018 -0.356 1
1 569 . 8 1 1 A 49 49 GLY CA C 46 44.981 45.035 -0.054 1
1 570 . 8 1 1 A 49 49 GLY N N 46 110.474 113.269 -2.795 1
1 571 . 8 1 1 A 50 50 MET H H 47 7.404 7.574 -0.170 1
1 572 . 8 1 1 A 50 50 MET HA H 47 5.226 4.854 0.372 1
1 580 . 8 1 1 A 50 50 MET CA C 47 50.824 52.307 -1.483 1
1 581 . 8 1 1 A 50 50 MET CB C 47 33.186 33.796 -0.610 1
1 584 . 8 1 1 A 50 50 MET N N 47 118.742 120.443 -1.701 1
1 585 . 8 1 1 A 51 51 PRO HA H 48 4.344 4.277 0.067 1
1 592 . 8 1 1 A 51 51 PRO CA C 48 63.591 63.784 -0.193 1
1 593 . 8 1 1 A 51 51 PRO CB C 48 31.942 32.148 -0.206 1
1 596 . 8 1 1 A 52 52 ASP H H 49 8.703 8.543 0.160 1
1 597 . 8 1 1 A 52 52 ASP HA H 49 4.392 4.039 0.353 1
1 600 . 8 1 1 A 52 52 ASP CA C 49 56.244 55.635 0.609 1
1 601 . 8 1 1 A 52 52 ASP N N 49 116.361 115.562 0.799 1
1 602 . 8 1 1 A 53 53 CYS H H 50 7.456 7.171 0.285 1
1 603 . 8 1 1 A 53 53 CYS HA H 50 5.799 5.000 0.799 1
1 606 . 8 1 1 A 53 53 CYS CA C 50 58.147 56.672 1.475 1
1 607 . 8 1 1 A 53 53 CYS CB C 50 30.953 29.493 1.460 1
1 608 . 8 1 1 A 53 53 CYS N N 50 114.086 116.522 -2.436 1
1 609 . 8 1 1 A 54 54 TYR H H 51 8.939 8.415 0.524 1
1 610 . 8 1 1 A 54 54 TYR HA H 51 4.662 5.072 -0.410 1
1 617 . 8 1 1 A 54 54 TYR CA C 51 56.444 56.213 0.231 1
1 618 . 8 1 1 A 54 54 TYR CB C 51 43.000 43.156 -0.156 1
1 620 . 8 1 1 A 54 54 TYR N N 51 120.722 121.062 -0.340 1
1 621 . 8 1 1 A 55 55 LYS H H 52 8.665 8.861 -0.196 1
1 622 . 8 1 1 A 55 55 LYS HA H 52 5.456 5.537 -0.081 1
1 631 . 8 1 1 A 55 55 LYS CA C 52 53.968 54.461 -0.493 1
1 632 . 8 1 1 A 55 55 LYS CB C 52 36.126 36.189 -0.063 1
1 636 . 8 1 1 A 55 55 LYS N N 52 117.297 117.886 -0.589 1
1 637 . 8 1 1 A 56 56 ILE H H 53 9.272 9.075 0.197 1
1 638 . 8 1 1 A 56 56 ILE HA H 53 4.428 5.088 -0.660 1
1 648 . 8 1 1 A 56 56 ILE CA C 53 60.803 59.629 1.174 1
1 649 . 8 1 1 A 56 56 ILE CB C 53 40.849 40.943 -0.094 1
1 653 . 8 1 1 A 56 56 ILE N N 53 122.006 123.921 -1.915 1
1 654 . 8 1 1 A 57 57 LYS H H 54 8.745 9.069 -0.324 1
1 655 . 8 1 1 A 57 57 LYS HA H 54 5.093 5.114 -0.021 1
1 664 . 8 1 1 A 57 57 LYS CA C 54 54.227 54.262 -0.035 1
1 665 . 8 1 1 A 57 57 LYS CB C 54 35.595 35.545 0.050 1
1 669 . 8 1 1 A 57 57 LYS N N 54 125.752 125.635 0.117 1
1 670 . 8 1 1 A 58 58 LEU H H 55 8.543 8.976 -0.433 1
1 671 . 8 1 1 A 58 58 LEU HA H 55 4.788 4.601 0.187 1
1 681 . 8 1 1 A 58 58 LEU CA C 55 53.151 54.380 -1.229 1
1 682 . 8 1 1 A 58 58 LEU CB C 55 41.238 41.621 -0.383 1
1 686 . 8 1 1 A 58 58 LEU N N 55 124.173 123.125 1.048 1
1 687 . 8 1 1 A 59 59 ARG HA H 56 4.039 4.037 0.002 1
1 694 . 8 1 1 A 59 59 ARG CA C 56 59.531 60.187 -0.656 1
1 695 . 8 1 1 A 59 59 ARG CB C 56 32.180 30.246 1.934 1
1 698 . 8 1 1 A 60 60 SER HA H 57 4.335 4.377 -0.042 1
1 701 . 8 1 1 A 60 60 SER CA C 57 60.035 61.006 -0.971 1
1 702 . 8 1 1 A 60 60 SER CB C 57 62.551 63.282 -0.731 1
1 703 . 8 1 1 A 61 61 SER H H 58 7.605 7.909 -0.304 1
1 704 . 8 1 1 A 61 61 SER HA H 58 4.604 4.447 0.157 1
1 707 . 8 1 1 A 61 61 SER CA C 58 58.122 59.660 -1.538 1
1 708 . 8 1 1 A 61 61 SER CB C 58 64.520 64.002 0.518 1
1 709 . 8 1 1 A 61 61 SER N N 58 112.447 114.188 -1.741 1
1 710 . 8 1 1 A 62 62 GLY H H 59 8.214 8.711 -0.497 1
1 711 . 8 1 1 A 62 62 GLY HA2 H 59 4.091 3.955 0.136 1
1 712 . 8 1 1 A 62 62 GLY HA3 H 59 3.824 3.956 -0.132 1
1 713 . 8 1 1 A 62 62 GLY CA C 59 45.562 45.228 0.334 1
1 714 . 8 1 1 A 62 62 GLY N N 59 108.976 108.812 0.164 1
1 715 . 8 1 1 A 63 63 TYR H H 60 7.283 8.202 -0.919 1
1 716 . 8 1 1 A 63 63 TYR HA H 60 4.619 4.616 0.003 1
1 723 . 8 1 1 A 63 63 TYR CA C 60 60.412 58.150 2.262 1
1 724 . 8 1 1 A 63 63 TYR CB C 60 40.339 39.956 0.383 1
1 727 . 8 1 1 A 63 63 TYR N N 60 117.859 120.182 -2.323 1
1 728 . 8 1 1 A 64 64 ARG H H 61 9.296 9.211 0.085 1
1 729 . 8 1 1 A 64 64 ARG HA H 61 5.634 5.447 0.187 1
1 736 . 8 1 1 A 64 64 ARG CA C 61 54.114 54.589 -0.475 1
1 737 . 8 1 1 A 64 64 ARG CB C 61 33.245 34.809 -1.564 1
1 740 . 8 1 1 A 64 64 ARG N N 61 117.912 118.933 -1.021 1
1 741 . 8 1 1 A 65 65 LEU H H 62 9.077 8.859 0.218 1
1 742 . 8 1 1 A 65 65 LEU HA H 62 5.459 5.122 0.337 1
1 752 . 8 1 1 A 65 65 LEU CA C 62 54.114 54.648 -0.534 1
1 753 . 8 1 1 A 65 65 LEU CB C 62 46.977 46.013 0.964 1
1 757 . 8 1 1 A 65 65 LEU N N 62 123.590 122.038 1.552 1
1 758 . 8 1 1 A 66 66 VAL H H 63 8.729 8.788 -0.059 1
1 759 . 8 1 1 A 66 66 VAL HA H 63 5.206 5.261 -0.055 1
1 767 . 8 1 1 A 66 66 VAL CA C 63 60.112 60.797 -0.685 1
1 768 . 8 1 1 A 66 66 VAL CB C 63 34.296 33.464 0.832 1
1 771 . 8 1 1 A 66 66 VAL N N 63 123.237 125.628 -2.391 1
1 772 . 8 1 1 A 67 67 TYR H H 64 8.976 8.739 0.237 1
1 773 . 8 1 1 A 67 67 TYR HA H 64 5.745 5.575 0.170 1
1 780 . 8 1 1 A 67 67 TYR CA C 64 53.968 54.993 -1.025 1
1 781 . 8 1 1 A 67 67 TYR CB C 64 42.534 42.061 0.473 1
1 784 . 8 1 1 A 67 67 TYR N N 64 124.227 123.730 0.497 1
1 785 . 8 1 1 A 68 68 GLN H H 65 9.696 9.000 0.696 1
1 786 . 8 1 1 A 68 68 GLN HA H 65 5.640 5.276 0.364 1
1 793 . 8 1 1 A 68 68 GLN CA C 65 52.933 54.007 -1.074 1
1 794 . 8 1 1 A 68 68 GLN CB C 65 33.585 31.914 1.671 1
1 796 . 8 1 1 A 68 68 GLN N N 65 122.541 120.235 2.306 1
1 798 . 8 1 1 A 69 69 VAL H H 66 9.050 9.371 -0.321 1
1 799 . 8 1 1 A 69 69 VAL HA H 66 4.513 4.582 -0.069 1
1 807 . 8 1 1 A 69 69 VAL CA C 66 62.534 62.210 0.324 1
1 808 . 8 1 1 A 69 69 VAL CB C 66 33.052 32.426 0.626 1
1 811 . 8 1 1 A 69 69 VAL N N 66 127.437 126.104 1.333 1
1 812 . 8 1 1 A 70 70 ILE H H 67 9.385 9.217 0.168 1
1 813 . 8 1 1 A 70 70 ILE HA H 67 4.475 4.530 -0.055 1
1 823 . 8 1 1 A 70 70 ILE CA C 67 59.863 60.969 -1.106 1
1 824 . 8 1 1 A 70 70 ILE CB C 67 37.487 37.878 -0.391 1
1 828 . 8 1 1 A 70 70 ILE N N 67 129.296 127.605 1.691 1
1 829 . 8 1 1 A 71 71 ASP H H 68 9.343 9.015 0.328 1
1 830 . 8 1 1 A 71 71 ASP HA H 68 4.595 4.670 -0.075 1
1 833 . 8 1 1 A 71 71 ASP CA C 68 58.841 56.363 2.478 1
1 834 . 8 1 1 A 71 71 ASP CB C 68 40.637 40.583 0.054 1
1 835 . 8 1 1 A 71 71 ASP N N 68 128.749 128.149 0.600 1
1 836 . 8 1 1 A 72 72 GLU H H 69 9.718 9.206 0.512 1
1 837 . 8 1 1 A 72 72 GLU HA H 69 4.124 4.138 -0.014 1
1 842 . 8 1 1 A 72 72 GLU CA C 69 59.335 58.327 1.008 1
1 843 . 8 1 1 A 72 72 GLU CB C 69 29.131 27.855 1.276 1
1 845 . 8 1 1 A 72 72 GLU N N 69 118.929 118.709 0.220 1
1 846 . 8 1 1 A 73 73 LYS H H 70 6.653 7.747 -1.094 1
1 847 . 8 1 1 A 73 73 LYS HA H 70 4.517 4.487 0.030 1
1 856 . 8 1 1 A 73 73 LYS CA C 70 54.587 55.283 -0.696 1
1 857 . 8 1 1 A 73 73 LYS CB C 70 33.843 33.652 0.191 1
1 861 . 8 1 1 A 73 73 LYS N N 70 114.113 118.289 -4.176 1
1 862 . 8 1 1 A 74 74 VAL H H 71 7.832 7.876 -0.044 1
1 863 . 8 1 1 A 74 74 VAL HA H 71 3.012 3.638 -0.626 1
1 871 . 8 1 1 A 74 74 VAL CA C 71 63.090 62.937 0.153 1
1 872 . 8 1 1 A 74 74 VAL CB C 71 29.226 29.566 -0.340 1
1 875 . 8 1 1 A 74 74 VAL N N 71 119.223 116.874 2.349 1
1 876 . 8 1 1 A 75 75 VAL H H 72 7.732 8.046 -0.314 1
1 877 . 8 1 1 A 75 75 VAL HA H 72 4.950 5.101 -0.151 1
1 885 . 8 1 1 A 75 75 VAL CA C 72 60.455 60.585 -0.130 1
1 886 . 8 1 1 A 75 75 VAL CB C 72 37.925 34.700 3.225 1
1 889 . 8 1 1 A 75 75 VAL N N 72 117.190 120.487 -3.297 1
1 890 . 8 1 1 A 76 76 VAL H H 73 9.026 8.694 0.332 1
1 891 . 8 1 1 A 76 76 VAL HA H 73 4.349 5.121 -0.772 1
1 899 . 8 1 1 A 76 76 VAL CA C 73 62.527 60.772 1.755 1
1 900 . 8 1 1 A 76 76 VAL CB C 73 32.882 33.453 -0.571 1
1 903 . 8 1 1 A 76 76 VAL N N 73 128.347 122.481 5.866 1
1 904 . 8 1 1 A 77 77 PHE H H 74 9.629 9.272 0.357 1
1 905 . 8 1 1 A 77 77 PHE HA H 74 5.898 4.958 0.940 1
1 913 . 8 1 1 A 77 77 PHE CA C 74 51.863 56.073 -4.210 1
1 914 . 8 1 1 A 77 77 PHE CB C 74 40.214 39.963 0.251 1
1 918 . 8 1 1 A 77 77 PHE N N 74 128.802 127.824 0.978 1
1 919 . 8 1 1 A 78 78 VAL H H 75 9.535 8.858 0.677 1
1 920 . 8 1 1 A 78 78 VAL HA H 75 3.712 4.005 -0.293 1
1 928 . 8 1 1 A 78 78 VAL CA C 75 63.939 63.529 0.410 1
1 929 . 8 1 1 A 78 78 VAL CB C 75 31.079 30.654 0.425 1
1 932 . 8 1 1 A 78 78 VAL N N 75 128.588 127.731 0.857 1
1 933 . 8 1 1 A 79 79 ILE H H 76 8.515 8.858 -0.343 1
1 934 . 8 1 1 A 79 79 ILE HA H 76 3.443 3.840 -0.397 1
1 944 . 8 1 1 A 79 79 ILE CA C 76 61.950 62.364 -0.414 1
1 945 . 8 1 1 A 79 79 ILE CB C 76 40.800 38.336 2.464 1
1 949 . 8 1 1 A 79 79 ILE N N 76 126.287 129.069 -2.782 1
1 950 . 8 1 1 A 80 80 SER H H 77 7.180 7.512 -0.332 1
1 951 . 8 1 1 A 80 80 SER HA H 77 4.506 5.046 -0.540 1
1 954 . 8 1 1 A 80 80 SER CA C 77 57.464 57.366 0.098 1
1 955 . 8 1 1 A 80 80 SER CB C 77 64.912 66.169 -1.257 1
1 956 . 8 1 1 A 80 80 SER N N 77 111.625 112.284 -0.659 1
1 957 . 8 1 1 A 81 81 VAL H H 78 8.641 8.568 0.073 1
1 958 . 8 1 1 A 81 81 VAL HA H 78 5.066 5.105 -0.039 1
1 966 . 8 1 1 A 81 81 VAL CA C 78 60.913 60.725 0.188 1
1 967 . 8 1 1 A 81 81 VAL CB C 78 35.010 35.657 -0.647 1
1 970 . 8 1 1 A 81 81 VAL N N 78 126.742 121.427 5.315 1
1 971 . 8 1 1 A 82 82 GLY H H 79 8.658 8.118 0.540 1
1 972 . 8 1 1 A 82 82 GLY HA2 H 79 4.370 4.229 0.141 1
1 973 . 8 1 1 A 82 82 GLY HA3 H 79 4.160 4.400 -0.240 1
1 974 . 8 1 1 A 82 82 GLY CA C 79 46.036 44.540 1.496 1
1 975 . 8 1 1 A 82 82 GLY N N 79 111.223 111.677 -0.454 1
1 976 . 8 1 1 A 83 83 LYS H H 80 8.569 8.240 0.329 1
1 977 . 8 1 1 A 83 83 LYS HA H 80 4.369 4.636 -0.267 1
1 986 . 8 1 1 A 83 83 LYS CA C 80 54.855 54.073 0.782 1
1 987 . 8 1 1 A 83 83 LYS CB C 80 34.866 34.040 0.826 1
1 991 . 8 1 1 A 83 83 LYS N N 80 121.257 122.015 -0.758 1
1 992 . 8 1 1 A 84 84 ALA H H 81 8.334 8.716 -0.382 1
1 993 . 8 1 1 A 84 84 ALA HA H 81 4.274 4.947 -0.673 1
1 997 . 8 1 1 A 84 84 ALA CA C 81 52.003 50.675 1.328 1
1 998 . 8 1 1 A 84 84 ALA CB C 81 19.185 20.480 -1.295 1
1 999 . 8 1 1 A 84 84 ALA N N 81 126.662 124.674 1.988 1
1 1000 . 8 1 1 A 85 85 GLU H H 82 8.638 8.691 -0.053 1
1 1001 . 8 1 1 A 85 85 GLU HA H 82 4.214 4.447 -0.233 1
1 1006 . 8 1 1 A 85 85 GLU CA C 82 56.366 56.535 -0.169 1
1 1007 . 8 1 1 A 85 85 GLU CB C 82 30.238 29.796 0.442 1
1 1009 . 8 1 1 A 85 85 GLU N N 82 121.819 121.831 -0.012 1
1 1010 . 8 1 1 A 86 86 ALA H H 83 8.462 8.599 -0.137 1
1 1011 . 8 1 1 A 86 86 ALA HA H 83 4.341 4.704 -0.363 1
1 1015 . 8 1 1 A 86 86 ALA CA C 83 52.156 51.547 0.609 1
1 1016 . 8 1 1 A 86 86 ALA CB C 83 19.206 19.655 -0.449 1
1 1017 . 8 1 1 A 86 86 ALA N N 83 125.350 130.405 -5.055 1
1 1018 . 8 1 1 A 87 87 SER H H 84 8.309 8.873 -0.564 1
1 1019 . 8 1 1 A 87 87 SER HA H 84 4.400 4.779 -0.379 1
1 1022 . 8 1 1 A 87 87 SER CA C 84 58.058 60.627 -2.569 1
1 1023 . 8 1 1 A 87 87 SER CB C 84 63.845 64.740 -0.895 1
1 1024 . 8 1 1 A 87 87 SER N N 84 115.397 114.997 0.400 1
1 1025 . 8 1 1 A 88 88 GLU H H 85 8.443 8.893 -0.450 1
1 1026 . 8 1 1 A 88 88 GLU HA H 85 4.318 4.428 -0.110 1
1 1031 . 8 1 1 A 88 88 GLU CA C 85 56.465 56.419 0.046 1
1 1032 . 8 1 1 A 88 88 GLU CB C 85 30.464 31.683 -1.219 1
1 1034 . 8 1 1 A 88 88 GLU N N 85 122.947 117.391 5.556 1
1 1035 . 8 1 1 A 89 89 VAL H H 86 8.098 7.912 0.186 1
1 1036 . 8 1 1 A 89 89 VAL HA H 86 4.044 3.697 0.347 1
1 1044 . 8 1 1 A 89 89 VAL CA C 86 62.293 65.101 -2.808 1
1 1045 . 8 1 1 A 89 89 VAL CB C 86 32.703 31.355 1.348 1
1 1048 . 8 1 1 A 89 89 VAL N N 86 120.884 121.276 -0.392 1
1 1049 . 8 1 1 A 90 90 TYR H H 87 8.313 8.269 0.044 1
1 1050 . 8 1 1 A 90 90 TYR HA H 87 4.623 4.480 0.143 1
1 1057 . 8 1 1 A 90 90 TYR CA C 87 57.791 58.583 -0.792 1
1 1058 . 8 1 1 A 90 90 TYR CB C 87 38.795 36.988 1.807 1
1 1061 . 8 1 1 A 90 90 TYR N N 87 124.634 120.464 4.170 1
1 1062 . 8 1 1 A 91 91 SER H H 88 8.140 7.593 0.547 1
1 1063 . 8 1 1 A 91 91 SER HA H 88 4.411 4.158 0.253 1
1 1066 . 8 1 1 A 91 91 SER CA C 88 58.396 61.022 -2.626 1
1 1067 . 8 1 1 A 91 91 SER CB C 88 63.703 63.253 0.450 1
1 1068 . 8 1 1 A 91 91 SER N N 88 118.447 116.699 1.748 1
1 1069 . 8 1 1 A 92 92 GLU H H 89 8.400 7.449 0.951 1
1 1070 . 8 1 1 A 92 92 GLU HA H 89 4.245 4.294 -0.049 1
1 1075 . 8 1 1 A 92 92 GLU CA C 89 56.465 57.528 -1.063 1
1 1076 . 8 1 1 A 92 92 GLU CB C 89 29.471 30.884 -1.413 1
1 1078 . 8 1 1 A 92 92 GLU N N 89 122.947 117.553 5.394 1
1 1079 . 8 1 1 A 93 93 ALA H H 90 8.224 8.309 -0.085 1
1 1080 . 8 1 1 A 93 93 ALA HA H 90 4.287 4.149 0.138 1
1 1084 . 8 1 1 A 93 93 ALA CA C 90 52.598 54.365 -1.767 1
1 1085 . 8 1 1 A 93 93 ALA CB C 90 18.864 17.855 1.009 1
1 1086 . 8 1 1 A 93 93 ALA N N 90 124.404 122.073 2.331 1
1 1087 . 8 1 1 A 94 94 VAL H H 91 7.971 8.220 -0.249 1
1 1088 . 8 1 1 A 94 94 VAL HA H 91 4.060 4.770 -0.710 1
1 1096 . 8 1 1 A 94 94 VAL CA C 91 62.072 60.106 1.966 1
1 1097 . 8 1 1 A 94 94 VAL CB C 91 32.601 34.286 -1.685 1
1 1100 . 8 1 1 A 94 94 VAL N N 91 119.330 115.750 3.580 1
1 1101 . 8 1 1 A 95 95 LYS H H 92 8.271 9.039 -0.768 1
1 1102 . 8 1 1 A 95 95 LYS HA H 92 4.313 4.540 -0.227 1
1 1111 . 8 1 1 A 95 95 LYS CA C 92 56.078 56.105 -0.027 1
1 1112 . 8 1 1 A 95 95 LYS CB C 92 32.924 33.904 -0.980 1
1 1116 . 8 1 1 A 95 95 LYS N N 92 124.941 122.543 2.398 1
1 1117 . 8 1 1 A 96 96 ARG H H 93 8.317 8.055 0.262 1
1 1118 . 8 1 1 A 96 96 ARG HA H 93 4.360 4.384 -0.024 1
1 1125 . 8 1 1 A 96 96 ARG CA C 93 55.901 57.279 -1.378 1
1 1126 . 8 1 1 A 96 96 ARG CB C 93 30.906 31.600 -0.694 1
1 1129 . 8 1 1 A 96 96 ARG N N 93 122.918 116.580 6.338 1
1 1130 . 8 1 1 A 97 97 ILE H H 94 8.251 7.728 0.523 1
1 1131 . 8 1 1 A 97 97 ILE HA H 94 4.184 4.584 -0.400 1
1 1141 . 8 1 1 A 97 97 ILE CA C 94 60.946 58.795 2.151 1
1 1142 . 8 1 1 A 97 97 ILE CB C 94 38.298 41.219 -2.921 1
1 1146 . 8 1 1 A 97 97 ILE N N 94 123.301 115.607 7.694 1
1 1191 . 8 2 2 B 5 5 GLN H H 48 8.533 8.568 -0.035 1
1 1192 . 8 2 2 B 5 5 GLN HA H 48 4.390 4.628 -0.238 1
1 1199 . 8 2 2 B 5 5 GLN C C 48 175.953 174.236 1.717 1
1 1200 . 8 2 2 B 5 5 GLN CA C 48 55.760 55.773 -0.013 1
1 1201 . 8 2 2 B 5 5 GLN CB C 48 29.225 33.018 -3.793 1
1 1203 . 8 2 2 B 5 5 GLN N N 48 122.121 123.062 -0.941 1
1 1205 . 8 2 2 B 6 6 THR H H 49 8.281 8.573 -0.292 1
1 1206 . 8 2 2 B 6 6 THR HA H 49 4.316 4.949 -0.633 1
1 1211 . 8 2 2 B 6 6 THR C C 49 174.156 173.658 0.498 1
1 1212 . 8 2 2 B 6 6 THR CA C 49 61.724 60.835 0.889 1
1 1213 . 8 2 2 B 6 6 THR CB C 49 69.452 69.536 -0.084 1
1 1215 . 8 2 2 B 6 6 THR N N 49 116.639 116.749 -0.110 1
1 1216 . 8 2 2 B 7 7 LEU H H 50 8.328 8.983 -0.655 1
1 1217 . 8 2 2 B 7 7 LEU HA H 50 4.381 4.706 -0.325 1
1 1227 . 8 2 2 B 7 7 LEU C C 50 176.985 175.694 1.291 1
1 1228 . 8 2 2 B 7 7 LEU CA C 50 55.093 54.280 0.813 1
1 1229 . 8 2 2 B 7 7 LEU CB C 50 42.122 40.355 1.767 1
1 1233 . 8 2 2 B 7 7 LEU N N 50 125.001 128.076 -3.075 1
1 1234 . 8 2 2 B 8 8 LEU H H 51 8.264 8.429 -0.165 1
1 1235 . 8 2 2 B 8 8 LEU HA H 51 4.410 5.550 -1.140 1
1 1245 . 8 2 2 B 8 8 LEU C C 51 177.235 175.716 1.519 1
1 1246 . 8 2 2 B 8 8 LEU CA C 51 54.936 52.767 2.169 1
1 1247 . 8 2 2 B 8 8 LEU CB C 51 42.292 46.199 -3.907 1
1 1251 . 8 2 2 B 8 8 LEU N N 51 123.073 120.925 2.148 1
1 1252 . 8 2 2 B 9 9 SER H H 52 8.499 9.224 -0.725 1
1 1253 . 8 2 2 B 9 9 SER HA H 52 4.410 4.777 -0.367 1
1 1256 . 8 2 2 B 9 9 SER C C 52 174.083 173.695 0.388 1
1 1257 . 8 2 2 B 9 9 SER CA C 52 57.757 56.096 1.661 1
1 1258 . 8 2 2 B 9 9 SER CB C 52 63.734 65.327 -1.593 1
1 1259 . 8 2 2 B 9 9 SER N N 52 117.150 114.739 2.411 1
1 1260 . 8 2 2 B 10 10 ASP H H 53 8.416 8.756 -0.340 1
1 1261 . 8 2 2 B 10 10 ASP HA H 53 4.575 4.361 0.214 1
1 1264 . 8 2 2 B 10 10 ASP C C 53 176.911 178.011 -1.100 1
1 1265 . 8 2 2 B 10 10 ASP CA C 53 54.678 57.115 -2.437 1
1 1266 . 8 2 2 B 10 10 ASP CB C 53 40.771 40.794 -0.023 1
1 1267 . 8 2 2 B 10 10 ASP N N 53 122.632 125.040 -2.408 1
1 1268 . 8 2 2 B 11 11 GLU H H 54 8.486 8.447 0.039 1
1 1269 . 8 2 2 B 11 11 GLU HA H 54 4.155 4.045 0.110 1
1 1274 . 8 2 2 B 11 11 GLU C C 54 177.220 178.537 -1.317 1
1 1275 . 8 2 2 B 11 11 GLU CA C 54 58.488 59.522 -1.034 1
1 1276 . 8 2 2 B 11 11 GLU CB C 54 29.615 29.015 0.600 1
1 1278 . 8 2 2 B 11 11 GLU N N 54 121.842 117.544 4.298 1
1 1279 . 8 2 2 B 12 12 ASP H H 55 8.301 7.982 0.319 1
1 1280 . 8 2 2 B 12 12 ASP HA H 55 4.470 4.356 0.114 1
1 1283 . 8 2 2 B 12 12 ASP C C 55 177.161 178.524 -1.363 1
1 1284 . 8 2 2 B 12 12 ASP CA C 55 55.901 57.124 -1.223 1
1 1285 . 8 2 2 B 12 12 ASP CB C 55 40.503 40.249 0.254 1
1 1286 . 8 2 2 B 12 12 ASP N N 55 120.309 120.551 -0.242 1
1 1287 . 8 2 2 B 13 13 ALA H H 56 8.114 7.875 0.239 1
1 1288 . 8 2 2 B 13 13 ALA HA H 56 3.986 3.995 -0.009 1
1 1292 . 8 2 2 B 13 13 ALA C C 56 180.446 178.504 1.942 1
1 1293 . 8 2 2 B 13 13 ALA CA C 56 55.422 54.594 0.828 1
1 1294 . 8 2 2 B 13 13 ALA CB C 56 18.001 18.264 -0.263 1
1 1295 . 8 2 2 B 13 13 ALA N N 56 122.864 122.640 0.224 1
1 1296 . 8 2 2 B 14 14 GLU H H 57 8.105 7.760 0.345 1
1 1297 . 8 2 2 B 14 14 GLU HA H 57 4.010 4.307 -0.297 1
1 1302 . 8 2 2 B 14 14 GLU C C 57 178.914 179.152 -0.238 1
1 1303 . 8 2 2 B 14 14 GLU CA C 57 59.175 57.781 1.394 1
1 1304 . 8 2 2 B 14 14 GLU CB C 57 28.904 30.220 -1.316 1
1 1306 . 8 2 2 B 14 14 GLU N N 57 117.931 116.882 1.049 1
1 1307 . 8 2 2 B 15 15 LEU H H 58 7.813 8.395 -0.582 1
1 1308 . 8 2 2 B 15 15 LEU HA H 58 4.062 4.088 -0.026 1
1 1318 . 8 2 2 B 15 15 LEU C C 58 178.634 179.346 -0.712 1
1 1319 . 8 2 2 B 15 15 LEU CA C 58 56.960 57.778 -0.818 1
1 1320 . 8 2 2 B 15 15 LEU CB C 58 41.973 41.318 0.655 1
1 1324 . 8 2 2 B 15 15 LEU N N 58 119.867 120.367 -0.500 1
1 1325 . 8 2 2 B 16 16 VAL H H 59 8.491 7.855 0.636 1
1 1326 . 8 2 2 B 16 16 VAL HA H 59 3.365 3.901 -0.536 1
1 1334 . 8 2 2 B 16 16 VAL C C 59 177.147 177.540 -0.393 1
1 1335 . 8 2 2 B 16 16 VAL CA C 59 67.142 65.548 1.594 1
1 1336 . 8 2 2 B 16 16 VAL CB C 59 31.176 31.409 -0.233 1
1 1339 . 8 2 2 B 16 16 VAL N N 59 118.357 115.379 2.978 1
1 1340 . 8 2 2 B 17 17 GLU H H 60 7.411 8.430 -1.019 1
1 1341 . 8 2 2 B 17 17 GLU HA H 60 4.015 4.097 -0.082 1
1 1346 . 8 2 2 B 17 17 GLU C C 60 179.636 178.441 1.195 1
1 1347 . 8 2 2 B 17 17 GLU CA C 60 59.203 59.041 0.162 1
1 1348 . 8 2 2 B 17 17 GLU CB C 60 28.970 29.073 -0.103 1
1 1350 . 8 2 2 B 17 17 GLU N N 60 117.103 120.484 -3.381 1
1 1351 . 8 2 2 B 18 18 ILE H H 61 7.574 7.750 -0.176 1
1 1352 . 8 2 2 B 18 18 ILE HA H 61 3.830 3.740 0.090 1
1 1362 . 8 2 2 B 18 18 ILE C C 61 178.001 178.433 -0.432 1
1 1363 . 8 2 2 B 18 18 ILE CA C 61 63.982 64.834 -0.852 1
1 1364 . 8 2 2 B 18 18 ILE CB C 61 38.483 37.430 1.053 1
1 1368 . 8 2 2 B 18 18 ILE N N 61 120.727 121.582 -0.855 1
1 1369 . 8 2 2 B 19 19 VAL H H 62 8.294 8.053 0.241 1
1 1370 . 8 2 2 B 19 19 VAL HA H 62 3.360 3.806 -0.446 1
1 1378 . 8 2 2 B 19 19 VAL C C 62 177.338 177.904 -0.566 1
1 1379 . 8 2 2 B 19 19 VAL CA C 62 66.364 65.367 0.997 1
1 1380 . 8 2 2 B 19 19 VAL CB C 62 31.203 31.414 -0.211 1
1 1383 . 8 2 2 B 19 19 VAL N N 62 119.635 121.368 -1.733 1
1 1384 . 8 2 2 B 20 20 LYS H H 63 8.780 8.035 0.745 1
1 1385 . 8 2 2 B 20 20 LYS HA H 63 3.784 4.023 -0.239 1
1 1394 . 8 2 2 B 20 20 LYS C C 63 179.209 178.631 0.578 1
1 1395 . 8 2 2 B 20 20 LYS CA C 63 60.096 58.631 1.465 1
1 1396 . 8 2 2 B 20 20 LYS CB C 63 32.673 31.378 1.295 1
1 1400 . 8 2 2 B 20 20 LYS N N 63 118.009 120.680 -2.671 1
1 1401 . 8 2 2 B 21 21 GLU H H 64 7.567 7.740 -0.173 1
1 1402 . 8 2 2 B 21 21 GLU HA H 64 4.084 4.068 0.016 1
1 1407 . 8 2 2 B 21 21 GLU C C 64 179.592 179.562 0.030 1
1 1408 . 8 2 2 B 21 21 GLU CA C 64 58.728 59.235 -0.507 1
1 1409 . 8 2 2 B 21 21 GLU CB C 64 28.974 29.231 -0.257 1
1 1411 . 8 2 2 B 21 21 GLU N N 64 117.452 119.890 -2.438 1
1 1412 . 8 2 2 B 22 22 ARG H H 65 8.156 8.079 0.077 1
1 1413 . 8 2 2 B 22 22 ARG HA H 65 4.053 4.099 -0.046 1
1 1420 . 8 2 2 B 22 22 ARG C C 65 177.986 177.635 0.351 1
1 1421 . 8 2 2 B 22 22 ARG CA C 65 61.243 58.410 2.833 1
1 1422 . 8 2 2 B 22 22 ARG CB C 65 29.980 30.262 -0.282 1
1 1425 . 8 2 2 B 22 22 ARG N N 65 119.635 119.864 -0.229 1
1 1426 . 8 2 2 B 23 23 LEU H H 66 8.436 7.914 0.522 1
1 1427 . 8 2 2 B 23 23 LEU HA H 66 4.106 4.195 -0.089 1
1 1437 . 8 2 2 B 23 23 LEU C C 66 178.620 179.002 -0.382 1
1 1438 . 8 2 2 B 23 23 LEU CA C 66 56.667 55.596 1.071 1
1 1439 . 8 2 2 B 23 23 LEU CB C 66 41.465 41.459 0.006 1
1 1443 . 8 2 2 B 23 23 LEU N N 66 115.686 117.538 -1.852 1
1 1444 . 8 2 2 B 24 24 ARG H H 67 7.404 8.970 -1.566 1
1 1445 . 8 2 2 B 24 24 ARG HA H 67 4.165 4.108 0.057 1
1 1452 . 8 2 2 B 24 24 ARG C C 67 177.147 176.489 0.658 1
1 1453 . 8 2 2 B 24 24 ARG CA C 67 59.004 58.830 0.174 1
1 1454 . 8 2 2 B 24 24 ARG CB C 67 30.472 29.919 0.553 1
1 1457 . 8 2 2 B 24 24 ARG N N 67 118.427 118.917 -0.490 1
1 1458 . 8 2 2 B 25 25 ASN H H 68 7.322 8.078 -0.756 1
1 1459 . 8 2 2 B 25 25 ASN HA H 68 5.064 5.240 -0.176 1
1 1464 . 8 2 2 B 25 25 ASN CA C 68 51.014 50.466 0.548 1
1 1465 . 8 2 2 B 25 25 ASN CB C 68 38.696 38.891 -0.195 1
1 1466 . 8 2 2 B 25 25 ASN N N 68 114.083 117.369 -3.286 1
1 1468 . 8 2 2 B 26 26 PRO HA H 69 4.521 4.265 0.256 1
1 1475 . 8 2 2 B 26 26 PRO C C 69 177.323 177.092 0.231 1
1 1476 . 8 2 2 B 26 26 PRO CA C 69 63.698 65.694 -1.996 1
1 1477 . 8 2 2 B 26 26 PRO CB C 69 33.286 31.659 1.627 1
1 1480 . 8 2 2 B 27 27 LYS H H 70 8.672 7.955 0.717 1
1 1481 . 8 2 2 B 27 27 LYS HA H 70 4.980 3.942 1.038 1
1 1490 . 8 2 2 B 27 27 LYS CA C 70 52.767 56.656 -3.889 1
1 1491 . 8 2 2 B 27 27 LYS CB C 70 33.540 30.756 2.784 1
1 1495 . 8 2 2 B 27 27 LYS N N 70 121.210 115.646 5.564 1
1 1496 . 8 2 2 B 28 28 PRO HA H 71 4.467 4.652 -0.185 1
1 1503 . 8 2 2 B 28 28 PRO C C 71 177.235 175.432 1.803 1
1 1504 . 8 2 2 B 28 28 PRO CA C 71 63.859 62.410 1.449 1
1 1505 . 8 2 2 B 28 28 PRO CB C 71 32.632 32.778 -0.146 1
1 1508 . 8 2 2 B 29 29 VAL H H 72 9.036 8.459 0.577 1
1 1509 . 8 2 2 B 29 29 VAL HA H 72 4.155 4.651 -0.496 1
1 1517 . 8 2 2 B 29 29 VAL C C 72 174.554 174.830 -0.276 1
1 1518 . 8 2 2 B 29 29 VAL CA C 72 61.506 60.634 0.872 1
1 1519 . 8 2 2 B 29 29 VAL CB C 72 34.764 35.322 -0.558 1
1 1522 . 8 2 2 B 29 29 VAL N N 72 124.322 120.697 3.625 1
1 1523 . 8 2 2 B 30 30 ARG H H 73 8.437 8.839 -0.402 1
1 1524 . 8 2 2 B 30 30 ARG HA H 73 5.195 4.679 0.516 1
1 1531 . 8 2 2 B 30 30 ARG C C 73 176.248 176.124 0.124 1
1 1532 . 8 2 2 B 30 30 ARG CA C 73 55.189 56.042 -0.853 1
1 1533 . 8 2 2 B 30 30 ARG CB C 73 27.764 30.680 -2.916 1
1 1536 . 8 2 2 B 30 30 ARG N N 73 129.461 128.669 0.792 1
1 1537 . 8 2 2 B 31 31 VAL H H 74 8.822 8.859 -0.037 1
1 1538 . 8 2 2 B 31 31 VAL HA H 74 4.889 5.082 -0.193 1
1 1546 . 8 2 2 B 31 31 VAL C C 74 173.965 173.825 0.140 1
1 1547 . 8 2 2 B 31 31 VAL CA C 74 59.055 59.080 -0.025 1
1 1548 . 8 2 2 B 31 31 VAL CB C 74 35.653 36.465 -0.812 1
1 1551 . 8 2 2 B 31 31 VAL N N 74 123.375 119.268 4.107 1
1 1552 . 8 2 2 B 32 32 THR H H 75 7.855 8.329 -0.474 1
1 1553 . 8 2 2 B 32 32 THR HA H 75 4.730 5.051 -0.321 1
1 1558 . 8 2 2 B 32 32 THR C C 75 175.865 175.406 0.459 1
1 1559 . 8 2 2 B 32 32 THR CA C 75 59.052 59.159 -0.107 1
1 1560 . 8 2 2 B 32 32 THR CB C 75 71.228 72.006 -0.778 1
1 1562 . 8 2 2 B 32 32 THR N N 75 109.507 111.278 -1.771 1
1 1563 . 8 2 2 B 33 33 LEU H H 76 8.841 8.948 -0.107 1
1 1564 . 8 2 2 B 33 33 LEU HA H 76 3.773 4.011 -0.238 1
1 1574 . 8 2 2 B 33 33 LEU C C 76 178.737 178.721 0.016 1
1 1575 . 8 2 2 B 33 33 LEU CA C 76 57.892 57.831 0.061 1
1 1576 . 8 2 2 B 33 33 LEU CB C 76 41.057 41.527 -0.470 1
1 1580 . 8 2 2 B 33 33 LEU N N 76 121.099 122.590 -1.491 1
1 1581 . 8 2 2 B 34 34 ASP H H 77 7.983 8.414 -0.431 1
1 1582 . 8 2 2 B 34 34 ASP HA H 77 4.431 4.370 0.061 1
1 1585 . 8 2 2 B 34 34 ASP C C 77 177.088 177.810 -0.722 1
1 1586 . 8 2 2 B 34 34 ASP CA C 77 55.837 57.694 -1.857 1
1 1587 . 8 2 2 B 34 34 ASP CB C 77 40.498 41.815 -1.317 1
1 1588 . 8 2 2 B 34 34 ASP N N 77 113.851 119.900 -6.049 1
1 1589 . 8 2 2 B 35 35 GLU H H 78 7.561 7.888 -0.327 1
1 1590 . 8 2 2 B 35 35 GLU HA H 78 4.320 4.326 -0.006 1
1 1595 . 8 2 2 B 35 35 GLU C C 78 175.482 176.740 -1.258 1
1 1596 . 8 2 2 B 35 35 GLU CA C 78 55.918 57.071 -1.153 1
1 1597 . 8 2 2 B 35 35 GLU CB C 78 30.767 29.828 0.939 1
1 1599 . 8 2 2 B 35 35 GLU N N 78 117.508 115.891 1.617 1
1 15 . 9 1 1 A 5 5 ALA H H 2 8.098 7.556 0.542 1
1 16 . 9 1 1 A 5 5 ALA HA H 2 4.389 4.375 0.014 1
1 20 . 9 1 1 A 5 5 ALA CA C 2 51.852 53.436 -1.584 1
1 21 . 9 1 1 A 5 5 ALA CB C 2 19.420 20.580 -1.160 1
1 22 . 9 1 1 A 5 5 ALA N N 2 125.572 116.196 9.376 1
1 23 . 9 1 1 A 6 6 TYR H H 3 8.402 8.043 0.359 1
1 24 . 9 1 1 A 6 6 TYR HA H 3 4.236 4.543 -0.307 1
1 31 . 9 1 1 A 6 6 TYR CA C 3 57.802 57.054 0.748 1
1 32 . 9 1 1 A 6 6 TYR CB C 3 39.608 40.208 -0.600 1
1 35 . 9 1 1 A 6 6 TYR N N 3 120.730 115.025 5.705 1
1 36 . 9 1 1 A 7 7 PHE H H 4 8.958 8.698 0.260 1
1 37 . 9 1 1 A 7 7 PHE HA H 4 4.509 4.834 -0.325 1
1 45 . 9 1 1 A 7 7 PHE CA C 4 57.936 58.191 -0.255 1
1 46 . 9 1 1 A 7 7 PHE CB C 4 40.613 40.064 0.549 1
1 50 . 9 1 1 A 7 7 PHE N N 4 118.436 122.034 -3.598 1
1 51 . 9 1 1 A 8 8 LEU H H 5 8.711 8.733 -0.022 1
1 52 . 9 1 1 A 8 8 LEU HA H 5 5.336 5.402 -0.066 1
1 62 . 9 1 1 A 8 8 LEU CA C 5 53.391 53.654 -0.263 1
1 63 . 9 1 1 A 8 8 LEU CB C 5 44.716 45.684 -0.968 1
1 67 . 9 1 1 A 8 8 LEU N N 5 122.810 122.670 0.140 1
1 68 . 9 1 1 A 9 9 ASP H H 6 9.145 8.831 0.314 1
1 69 . 9 1 1 A 9 9 ASP HA H 6 5.999 5.454 0.545 1
1 72 . 9 1 1 A 9 9 ASP CA C 6 51.759 52.826 -1.067 1
1 73 . 9 1 1 A 9 9 ASP CB C 6 44.757 45.696 -0.939 1
1 74 . 9 1 1 A 9 9 ASP N N 6 124.570 125.284 -0.714 1
1 75 . 9 1 1 A 10 10 PHE H H 7 9.884 9.261 0.623 1
1 76 . 9 1 1 A 10 10 PHE HA H 7 5.231 5.186 0.045 1
1 83 . 9 1 1 A 10 10 PHE CA C 7 55.321 56.715 -1.394 1
1 84 . 9 1 1 A 10 10 PHE CB C 7 42.863 43.137 -0.274 1
1 88 . 9 1 1 A 10 10 PHE N N 7 123.156 119.357 3.799 1
1 89 . 9 1 1 A 11 11 ASP H H 8 8.986 8.736 0.250 1
1 90 . 9 1 1 A 11 11 ASP HA H 8 4.924 4.782 0.142 1
1 93 . 9 1 1 A 11 11 ASP CA C 8 55.122 55.065 0.057 1
1 94 . 9 1 1 A 11 11 ASP CB C 8 44.453 42.677 1.776 1
1 95 . 9 1 1 A 11 11 ASP N N 8 123.103 124.263 -1.160 1
1 96 . 9 1 1 A 12 12 GLU H H 9 9.685 9.067 0.618 1
1 97 . 9 1 1 A 12 12 GLU HA H 9 3.984 3.997 -0.013 1
1 102 . 9 1 1 A 12 12 GLU CA C 9 60.974 60.306 0.668 1
1 103 . 9 1 1 A 12 12 GLU CB C 9 31.222 29.567 1.655 1
1 105 . 9 1 1 A 12 12 GLU N N 9 128.730 126.755 1.975 1
1 106 . 9 1 1 A 13 13 ARG H H 10 9.626 8.139 1.487 1
1 107 . 9 1 1 A 13 13 ARG HA H 10 4.063 3.984 0.079 1
1 114 . 9 1 1 A 13 13 ARG CA C 10 59.013 59.120 -0.107 1
1 115 . 9 1 1 A 13 13 ARG CB C 10 30.124 30.100 0.024 1
1 118 . 9 1 1 A 13 13 ARG N N 10 117.930 118.788 -0.858 1
1 119 . 9 1 1 A 14 14 ALA H H 11 7.268 8.337 -1.069 1
1 120 . 9 1 1 A 14 14 ALA HA H 11 5.323 4.203 1.120 1
1 124 . 9 1 1 A 14 14 ALA CA C 11 53.013 55.018 -2.005 1
1 125 . 9 1 1 A 14 14 ALA CB C 11 18.072 18.770 -0.698 1
1 126 . 9 1 1 A 14 14 ALA N N 11 122.063 122.030 0.033 1
1 127 . 9 1 1 A 15 15 LEU H H 12 8.773 7.819 0.954 1
1 128 . 9 1 1 A 15 15 LEU HA H 12 4.318 2.824 1.494 1
1 138 . 9 1 1 A 15 15 LEU CA C 12 57.404 57.518 -0.114 1
1 139 . 9 1 1 A 15 15 LEU CB C 12 41.842 41.185 0.657 1
1 143 . 9 1 1 A 15 15 LEU N N 12 121.956 118.938 3.018 1
1 144 . 9 1 1 A 16 16 LYS H H 13 7.515 7.723 -0.208 1
1 145 . 9 1 1 A 16 16 LYS HA H 13 4.099 3.818 0.281 1
1 154 . 9 1 1 A 16 16 LYS CA C 13 59.837 59.573 0.264 1
1 155 . 9 1 1 A 16 16 LYS CB C 13 32.297 32.014 0.283 1
1 159 . 9 1 1 A 16 16 LYS N N 13 118.250 117.746 0.504 1
1 160 . 9 1 1 A 17 17 GLU H H 14 7.416 7.979 -0.563 1
1 161 . 9 1 1 A 17 17 GLU HA H 14 3.959 4.001 -0.042 1
1 166 . 9 1 1 A 17 17 GLU CA C 14 59.458 59.557 -0.099 1
1 167 . 9 1 1 A 17 17 GLU CB C 14 29.644 29.570 0.074 1
1 169 . 9 1 1 A 17 17 GLU N N 14 118.330 119.337 -1.007 1
1 170 . 9 1 1 A 18 18 TRP H H 15 9.095 7.794 1.301 1
1 171 . 9 1 1 A 18 18 TRP HA H 15 4.013 4.510 -0.497 1
1 178 . 9 1 1 A 18 18 TRP CA C 15 60.476 59.822 0.654 1
1 179 . 9 1 1 A 18 18 TRP CB C 15 29.644 28.000 1.644 1
1 182 . 9 1 1 A 18 18 TRP N N 15 121.770 118.102 3.668 1
1 183 . 9 1 1 A 19 19 ARG H H 16 8.060 7.141 0.919 1
1 184 . 9 1 1 A 19 19 ARG HA H 16 4.030 4.168 -0.138 1
1 191 . 9 1 1 A 19 19 ARG CA C 16 57.993 58.618 -0.625 1
1 192 . 9 1 1 A 19 19 ARG CB C 16 29.948 29.844 0.104 1
1 195 . 9 1 1 A 19 19 ARG N N 16 113.396 121.182 -7.786 1
1 196 . 9 1 1 A 20 20 LYS H H 17 7.274 7.769 -0.495 1
1 197 . 9 1 1 A 20 20 LYS HA H 17 4.311 4.353 -0.042 1
1 206 . 9 1 1 A 20 20 LYS CA C 17 57.183 57.633 -0.450 1
1 207 . 9 1 1 A 20 20 LYS CB C 17 32.106 32.634 -0.528 1
1 211 . 9 1 1 A 20 20 LYS N N 17 116.232 115.457 0.775 1
1 212 . 9 1 1 A 21 21 LEU H H 18 7.359 7.260 0.099 1
1 213 . 9 1 1 A 21 21 LEU HA H 18 4.074 4.770 -0.696 1
1 223 . 9 1 1 A 21 21 LEU CA C 18 54.367 53.113 1.254 1
1 224 . 9 1 1 A 21 21 LEU CB C 18 43.185 44.278 -1.093 1
1 228 . 9 1 1 A 21 21 LEU N N 18 119.903 117.094 2.809 1
1 229 . 9 1 1 A 22 22 GLY H H 19 8.455 8.387 0.068 1
1 230 . 9 1 1 A 22 22 GLY HA2 H 19 4.103 4.003 0.100 1
1 231 . 9 1 1 A 22 22 GLY HA3 H 19 3.888 4.058 -0.170 1
1 232 . 9 1 1 A 22 22 GLY CA C 19 44.739 45.394 -0.655 1
1 233 . 9 1 1 A 22 22 GLY N N 19 108.063 107.231 0.832 1
1 234 . 9 1 1 A 23 23 SER H H 20 8.711 8.870 -0.159 1
1 235 . 9 1 1 A 23 23 SER HA H 20 4.422 4.132 0.290 1
1 238 . 9 1 1 A 23 23 SER CA C 20 58.325 62.722 -4.397 1
1 239 . 9 1 1 A 23 23 SER CB C 20 63.754 62.872 0.882 1
1 240 . 9 1 1 A 23 23 SER N N 20 117.509 117.817 -0.308 1
1 241 . 9 1 1 A 24 24 THR H H 21 8.273 7.931 0.342 1
1 242 . 9 1 1 A 24 24 THR HA H 21 4.026 4.058 -0.032 1
1 247 . 9 1 1 A 24 24 THR CA C 21 65.605 66.874 -1.269 1
1 248 . 9 1 1 A 24 24 THR CB C 21 68.013 68.188 -0.175 1
1 250 . 9 1 1 A 24 24 THR N N 21 116.047 117.511 -1.464 1
1 251 . 9 1 1 A 25 25 VAL H H 22 7.075 7.966 -0.891 1
1 252 . 9 1 1 A 25 25 VAL HA H 22 3.507 3.426 0.081 1
1 260 . 9 1 1 A 25 25 VAL CA C 22 65.475 66.734 -1.259 1
1 261 . 9 1 1 A 25 25 VAL CB C 22 31.319 31.272 0.047 1
1 264 . 9 1 1 A 25 25 VAL N N 22 122.543 121.752 0.791 1
1 265 . 9 1 1 A 26 26 ARG H H 23 7.781 7.862 -0.081 1
1 266 . 9 1 1 A 26 26 ARG HA H 23 3.116 3.993 -0.877 1
1 273 . 9 1 1 A 26 26 ARG CA C 23 60.215 58.426 1.789 1
1 274 . 9 1 1 A 26 26 ARG CB C 23 30.555 29.881 0.674 1
1 277 . 9 1 1 A 26 26 ARG N N 23 118.490 120.006 -1.516 1
1 278 . 9 1 1 A 27 27 GLU H H 24 8.107 8.406 -0.299 1
1 279 . 9 1 1 A 27 27 GLU HA H 24 4.031 4.070 -0.039 1
1 284 . 9 1 1 A 27 27 GLU CA C 24 59.421 58.908 0.513 1
1 285 . 9 1 1 A 27 27 GLU CB C 24 29.126 29.419 -0.293 1
1 287 . 9 1 1 A 27 27 GLU N N 24 116.756 118.819 -2.063 1
1 288 . 9 1 1 A 28 28 GLN H H 25 7.760 7.769 -0.009 1
1 289 . 9 1 1 A 28 28 GLN HA H 25 4.097 3.990 0.107 1
1 296 . 9 1 1 A 28 28 GLN CA C 25 59.055 58.693 0.362 1
1 297 . 9 1 1 A 28 28 GLN CB C 25 29.925 27.961 1.964 1
1 299 . 9 1 1 A 28 28 GLN N N 25 118.410 118.987 -0.577 1
1 301 . 9 1 1 A 29 29 LEU H H 26 8.631 8.000 0.631 1
1 302 . 9 1 1 A 29 29 LEU HA H 26 4.145 4.030 0.115 1
1 312 . 9 1 1 A 29 29 LEU CA C 26 57.929 57.936 -0.007 1
1 313 . 9 1 1 A 29 29 LEU CB C 26 42.787 41.460 1.327 1
1 317 . 9 1 1 A 29 29 LEU N N 26 119.716 120.037 -0.321 1
1 318 . 9 1 1 A 30 30 LYS H H 27 9.183 7.982 1.201 1
1 319 . 9 1 1 A 30 30 LYS HA H 27 3.981 3.937 0.044 1
1 328 . 9 1 1 A 30 30 LYS CA C 27 61.364 59.619 1.745 1
1 329 . 9 1 1 A 30 30 LYS CB C 27 32.137 31.822 0.315 1
1 333 . 9 1 1 A 30 30 LYS N N 27 120.836 118.013 2.823 1
1 334 . 9 1 1 A 31 31 LYS H H 28 7.580 7.599 -0.019 1
1 335 . 9 1 1 A 31 31 LYS HA H 28 4.050 4.094 -0.044 1
1 344 . 9 1 1 A 31 31 LYS CA C 28 59.586 59.580 0.006 1
1 345 . 9 1 1 A 31 31 LYS CB C 28 32.373 32.040 0.333 1
1 349 . 9 1 1 A 31 31 LYS N N 28 116.783 119.693 -2.910 1
1 350 . 9 1 1 A 32 32 LYS H H 29 7.300 7.529 -0.229 1
1 351 . 9 1 1 A 32 32 LYS HA H 29 4.090 4.346 -0.256 1
1 360 . 9 1 1 A 32 32 LYS CA C 29 57.130 58.210 -1.080 1
1 361 . 9 1 1 A 32 32 LYS N N 29 116.383 118.912 -2.529 1
1 362 . 9 1 1 A 33 33 LEU H H 30 8.722 7.697 1.025 1
1 363 . 9 1 1 A 33 33 LEU HA H 30 3.881 4.015 -0.134 1
1 373 . 9 1 1 A 33 33 LEU CA C 30 57.634 57.162 0.472 1
1 374 . 9 1 1 A 33 33 LEU CB C 30 42.116 41.576 0.540 1
1 378 . 9 1 1 A 33 33 LEU N N 30 121.770 118.123 3.647 1
1 379 . 9 1 1 A 34 34 VAL H H 31 8.067 7.691 0.376 1
1 380 . 9 1 1 A 34 34 VAL HA H 31 3.479 3.828 -0.349 1
1 388 . 9 1 1 A 34 34 VAL CA C 31 66.847 64.371 2.476 1
1 389 . 9 1 1 A 34 34 VAL CB C 31 31.860 31.643 0.217 1
1 392 . 9 1 1 A 34 34 VAL N N 31 118.116 118.750 -0.634 1
1 393 . 9 1 1 A 35 35 GLU H H 32 6.825 8.244 -1.419 1
1 394 . 9 1 1 A 35 35 GLU HA H 32 4.090 4.153 -0.063 1
1 399 . 9 1 1 A 35 35 GLU CA C 32 58.624 58.404 0.220 1
1 400 . 9 1 1 A 35 35 GLU CB C 32 29.746 29.735 0.011 1
1 402 . 9 1 1 A 35 35 GLU N N 32 116.570 120.182 -3.612 1
1 403 . 9 1 1 A 36 36 VAL H H 33 7.785 7.528 0.257 1
1 404 . 9 1 1 A 36 36 VAL HA H 33 3.484 3.762 -0.278 1
1 412 . 9 1 1 A 36 36 VAL CA C 33 65.213 64.801 0.412 1
1 413 . 9 1 1 A 36 36 VAL CB C 33 31.932 31.410 0.522 1
1 416 . 9 1 1 A 36 36 VAL N N 33 120.618 120.131 0.487 1
1 417 . 9 1 1 A 37 37 LEU H H 34 7.956 7.717 0.239 1
1 418 . 9 1 1 A 37 37 LEU HA H 34 3.747 4.047 -0.300 1
1 428 . 9 1 1 A 37 37 LEU CA C 34 57.069 56.626 0.443 1
1 429 . 9 1 1 A 37 37 LEU CB C 34 40.916 41.529 -0.613 1
1 433 . 9 1 1 A 37 37 LEU N N 34 115.476 121.262 -5.786 1
1 434 . 9 1 1 A 38 38 GLU H H 35 7.042 8.040 -0.998 1
1 435 . 9 1 1 A 38 38 GLU HA H 35 4.395 4.339 0.056 1
1 440 . 9 1 1 A 38 38 GLU CA C 35 57.553 57.870 -0.317 1
1 441 . 9 1 1 A 38 38 GLU CB C 35 30.234 31.119 -0.885 1
1 443 . 9 1 1 A 38 38 GLU N N 35 114.356 120.003 -5.647 1
1 444 . 9 1 1 A 39 39 SER H H 36 7.125 7.556 -0.431 1
1 445 . 9 1 1 A 39 39 SER HA H 36 4.593 4.902 -0.309 1
1 448 . 9 1 1 A 39 39 SER CA C 36 55.308 55.277 0.031 1
1 449 . 9 1 1 A 39 39 SER CB C 36 62.305 63.233 -0.928 1
1 450 . 9 1 1 A 39 39 SER N N 36 109.796 112.609 -2.813 1
1 451 . 9 1 1 A 40 40 PRO HA H 37 4.360 4.545 -0.185 1
1 458 . 9 1 1 A 40 40 PRO CA C 37 64.802 63.694 1.108 1
1 459 . 9 1 1 A 40 40 PRO CB C 37 32.562 31.804 0.758 1
1 462 . 9 1 1 A 41 41 ARG H H 38 8.356 8.108 0.248 1
1 463 . 9 1 1 A 41 41 ARG HA H 38 3.271 4.354 -1.083 1
1 470 . 9 1 1 A 41 41 ARG CA C 38 56.364 55.481 0.883 1
1 471 . 9 1 1 A 41 41 ARG CB C 38 29.580 30.007 -0.427 1
1 474 . 9 1 1 A 41 41 ARG N N 38 120.882 119.106 1.776 1
1 475 . 9 1 1 A 42 42 ILE H H 39 5.973 7.195 -1.222 1
1 476 . 9 1 1 A 42 42 ILE HA H 39 4.216 4.409 -0.193 1
1 486 . 9 1 1 A 42 42 ILE CA C 39 60.301 60.432 -0.131 1
1 487 . 9 1 1 A 42 42 ILE CB C 39 38.705 38.769 -0.064 1
1 491 . 9 1 1 A 42 42 ILE N N 39 127.866 124.704 3.162 1
1 492 . 9 1 1 A 43 43 GLU H H 40 8.860 8.804 0.056 1
1 493 . 9 1 1 A 43 43 GLU HA H 40 4.218 4.295 -0.077 1
1 498 . 9 1 1 A 43 43 GLU CA C 40 59.945 58.507 1.438 1
1 499 . 9 1 1 A 43 43 GLU CB C 40 29.040 29.046 -0.006 1
1 501 . 9 1 1 A 43 43 GLU N N 40 129.498 126.447 3.051 1
1 502 . 9 1 1 A 44 44 ALA H H 41 8.827 7.469 1.358 1
1 503 . 9 1 1 A 44 44 ALA HA H 41 4.241 4.217 0.024 1
1 507 . 9 1 1 A 44 44 ALA CA C 41 54.035 53.516 0.519 1
1 508 . 9 1 1 A 44 44 ALA CB C 41 18.466 18.520 -0.054 1
1 509 . 9 1 1 A 44 44 ALA N N 41 119.919 122.179 -2.260 1
1 510 . 9 1 1 A 45 45 ASN H H 42 8.184 8.086 0.098 1
1 511 . 9 1 1 A 45 45 ASN HA H 42 5.082 4.942 0.140 1
1 516 . 9 1 1 A 45 45 ASN CA C 42 51.401 52.967 -1.566 1
1 517 . 9 1 1 A 45 45 ASN CB C 42 38.684 40.025 -1.341 1
1 518 . 9 1 1 A 45 45 ASN N N 42 114.675 115.709 -1.034 1
1 520 . 9 1 1 A 46 46 LYS H H 43 7.515 7.226 0.289 1
1 521 . 9 1 1 A 46 46 LYS HA H 43 3.741 4.666 -0.925 1
1 530 . 9 1 1 A 46 46 LYS CA C 43 57.354 56.149 1.205 1
1 531 . 9 1 1 A 46 46 LYS CB C 43 32.905 33.231 -0.326 1
1 535 . 9 1 1 A 46 46 LYS N N 43 122.167 118.657 3.510 1
1 536 . 9 1 1 A 47 47 LEU H H 44 8.184 8.375 -0.191 1
1 537 . 9 1 1 A 47 47 LEU HA H 44 4.297 4.594 -0.297 1
1 547 . 9 1 1 A 47 47 LEU CA C 44 53.422 53.990 -0.568 1
1 548 . 9 1 1 A 47 47 LEU CB C 44 42.208 42.360 -0.152 1
1 552 . 9 1 1 A 47 47 LEU N N 44 127.544 121.556 5.988 1
1 553 . 9 1 1 A 48 48 ARG H H 45 8.706 8.899 -0.193 1
1 554 . 9 1 1 A 48 48 ARG HA H 45 3.918 3.981 -0.063 1
1 561 . 9 1 1 A 48 48 ARG CA C 45 57.765 59.386 -1.621 1
1 562 . 9 1 1 A 48 48 ARG CB C 45 29.686 30.338 -0.652 1
1 565 . 9 1 1 A 48 48 ARG N N 45 128.641 123.639 5.002 1
1 566 . 9 1 1 A 49 49 GLY H H 46 8.543 8.021 0.522 1
1 567 . 9 1 1 A 49 49 GLY HA2 H 46 4.129 3.890 0.239 1
1 568 . 9 1 1 A 49 49 GLY HA3 H 46 3.662 3.891 -0.229 1
1 569 . 9 1 1 A 49 49 GLY CA C 46 44.981 46.961 -1.980 1
1 570 . 9 1 1 A 49 49 GLY N N 46 110.474 107.022 3.452 1
1 571 . 9 1 1 A 50 50 MET H H 47 7.404 7.910 -0.506 1
1 572 . 9 1 1 A 50 50 MET HA H 47 5.226 4.611 0.615 1
1 580 . 9 1 1 A 50 50 MET CA C 47 50.824 53.941 -3.117 1
1 581 . 9 1 1 A 50 50 MET CB C 47 33.186 33.214 -0.028 1
1 584 . 9 1 1 A 50 50 MET N N 47 118.742 119.854 -1.112 1
1 585 . 9 1 1 A 51 51 PRO HA H 48 4.344 4.360 -0.016 1
1 592 . 9 1 1 A 51 51 PRO CA C 48 63.591 65.385 -1.794 1
1 593 . 9 1 1 A 51 51 PRO CB C 48 31.942 31.789 0.153 1
1 596 . 9 1 1 A 52 52 ASP H H 49 8.703 8.151 0.552 1
1 597 . 9 1 1 A 52 52 ASP HA H 49 4.392 4.309 0.083 1
1 600 . 9 1 1 A 52 52 ASP CA C 49 56.244 53.425 2.819 1
1 601 . 9 1 1 A 52 52 ASP N N 49 116.361 115.171 1.190 1
1 602 . 9 1 1 A 53 53 CYS H H 50 7.456 7.006 0.450 1
1 603 . 9 1 1 A 53 53 CYS HA H 50 5.799 4.636 1.163 1
1 606 . 9 1 1 A 53 53 CYS CA C 50 58.147 57.028 1.119 1
1 607 . 9 1 1 A 53 53 CYS CB C 50 30.953 28.956 1.997 1
1 608 . 9 1 1 A 53 53 CYS N N 50 114.086 120.078 -5.992 1
1 609 . 9 1 1 A 54 54 TYR H H 51 8.939 8.475 0.464 1
1 610 . 9 1 1 A 54 54 TYR HA H 51 4.662 5.289 -0.627 1
1 617 . 9 1 1 A 54 54 TYR CA C 51 56.444 56.084 0.360 1
1 618 . 9 1 1 A 54 54 TYR CB C 51 43.000 42.530 0.470 1
1 620 . 9 1 1 A 54 54 TYR N N 51 120.722 122.701 -1.979 1
1 621 . 9 1 1 A 55 55 LYS H H 52 8.665 9.080 -0.415 1
1 622 . 9 1 1 A 55 55 LYS HA H 52 5.456 5.589 -0.133 1
1 631 . 9 1 1 A 55 55 LYS CA C 52 53.968 54.346 -0.378 1
1 632 . 9 1 1 A 55 55 LYS CB C 52 36.126 36.895 -0.769 1
1 636 . 9 1 1 A 55 55 LYS N N 52 117.297 117.322 -0.025 1
1 637 . 9 1 1 A 56 56 ILE H H 53 9.272 8.776 0.496 1
1 638 . 9 1 1 A 56 56 ILE HA H 53 4.428 4.997 -0.569 1
1 648 . 9 1 1 A 56 56 ILE CA C 53 60.803 60.669 0.134 1
1 649 . 9 1 1 A 56 56 ILE CB C 53 40.849 40.666 0.183 1
1 653 . 9 1 1 A 56 56 ILE N N 53 122.006 121.227 0.779 1
1 654 . 9 1 1 A 57 57 LYS H H 54 8.745 9.058 -0.313 1
1 655 . 9 1 1 A 57 57 LYS HA H 54 5.093 5.142 -0.049 1
1 664 . 9 1 1 A 57 57 LYS CA C 54 54.227 54.580 -0.353 1
1 665 . 9 1 1 A 57 57 LYS CB C 54 35.595 35.379 0.216 1
1 669 . 9 1 1 A 57 57 LYS N N 54 125.752 125.557 0.195 1
1 670 . 9 1 1 A 58 58 LEU H H 55 8.543 8.670 -0.127 1
1 671 . 9 1 1 A 58 58 LEU HA H 55 4.788 4.415 0.373 1
1 681 . 9 1 1 A 58 58 LEU CA C 55 53.151 55.216 -2.065 1
1 682 . 9 1 1 A 58 58 LEU CB C 55 41.238 42.425 -1.187 1
1 686 . 9 1 1 A 58 58 LEU N N 55 124.173 125.402 -1.229 1
1 687 . 9 1 1 A 59 59 ARG HA H 56 4.039 4.146 -0.107 1
1 694 . 9 1 1 A 59 59 ARG CA C 56 59.531 59.419 0.112 1
1 695 . 9 1 1 A 59 59 ARG CB C 56 32.180 30.869 1.311 1
1 698 . 9 1 1 A 60 60 SER HA H 57 4.335 4.759 -0.424 1
1 701 . 9 1 1 A 60 60 SER CA C 57 60.035 56.901 3.134 1
1 702 . 9 1 1 A 60 60 SER CB C 57 62.551 63.247 -0.696 1
1 703 . 9 1 1 A 61 61 SER H H 58 7.605 8.716 -1.111 1
1 704 . 9 1 1 A 61 61 SER HA H 58 4.604 4.879 -0.275 1
1 707 . 9 1 1 A 61 61 SER CA C 58 58.122 58.850 -0.728 1
1 708 . 9 1 1 A 61 61 SER CB C 58 64.520 66.318 -1.798 1
1 709 . 9 1 1 A 61 61 SER N N 58 112.447 122.853 -10.406 1
1 710 . 9 1 1 A 62 62 GLY H H 59 8.214 8.270 -0.056 1
1 711 . 9 1 1 A 62 62 GLY HA2 H 59 4.091 3.866 0.225 1
1 712 . 9 1 1 A 62 62 GLY HA3 H 59 3.824 3.912 -0.088 1
1 713 . 9 1 1 A 62 62 GLY CA C 59 45.562 45.851 -0.289 1
1 714 . 9 1 1 A 62 62 GLY N N 59 108.976 110.413 -1.437 1
1 715 . 9 1 1 A 63 63 TYR H H 60 7.283 8.038 -0.755 1
1 716 . 9 1 1 A 63 63 TYR HA H 60 4.619 4.603 0.016 1
1 723 . 9 1 1 A 63 63 TYR CA C 60 60.412 57.873 2.539 1
1 724 . 9 1 1 A 63 63 TYR CB C 60 40.339 40.364 -0.025 1
1 727 . 9 1 1 A 63 63 TYR N N 60 117.859 119.628 -1.769 1
1 728 . 9 1 1 A 64 64 ARG H H 61 9.296 9.199 0.097 1
1 729 . 9 1 1 A 64 64 ARG HA H 61 5.634 5.589 0.045 1
1 736 . 9 1 1 A 64 64 ARG CA C 61 54.114 53.770 0.344 1
1 737 . 9 1 1 A 64 64 ARG CB C 61 33.245 34.555 -1.310 1
1 740 . 9 1 1 A 64 64 ARG N N 61 117.912 119.823 -1.911 1
1 741 . 9 1 1 A 65 65 LEU H H 62 9.077 8.849 0.228 1
1 742 . 9 1 1 A 65 65 LEU HA H 62 5.459 5.083 0.376 1
1 752 . 9 1 1 A 65 65 LEU CA C 62 54.114 54.672 -0.558 1
1 753 . 9 1 1 A 65 65 LEU CB C 62 46.977 46.133 0.844 1
1 757 . 9 1 1 A 65 65 LEU N N 62 123.590 121.547 2.043 1
1 758 . 9 1 1 A 66 66 VAL H H 63 8.729 8.803 -0.074 1
1 759 . 9 1 1 A 66 66 VAL HA H 63 5.206 5.202 0.004 1
1 767 . 9 1 1 A 66 66 VAL CA C 63 60.112 60.804 -0.692 1
1 768 . 9 1 1 A 66 66 VAL CB C 63 34.296 34.172 0.124 1
1 771 . 9 1 1 A 66 66 VAL N N 63 123.237 125.643 -2.406 1
1 772 . 9 1 1 A 67 67 TYR H H 64 8.976 8.991 -0.015 1
1 773 . 9 1 1 A 67 67 TYR HA H 64 5.745 5.318 0.427 1
1 780 . 9 1 1 A 67 67 TYR CA C 64 53.968 55.619 -1.651 1
1 781 . 9 1 1 A 67 67 TYR CB C 64 42.534 41.599 0.935 1
1 784 . 9 1 1 A 67 67 TYR N N 64 124.227 123.319 0.908 1
1 785 . 9 1 1 A 68 68 GLN H H 65 9.696 8.677 1.019 1
1 786 . 9 1 1 A 68 68 GLN HA H 65 5.640 4.743 0.897 1
1 793 . 9 1 1 A 68 68 GLN CA C 65 52.933 54.361 -1.428 1
1 794 . 9 1 1 A 68 68 GLN CB C 65 33.585 32.318 1.267 1
1 796 . 9 1 1 A 68 68 GLN N N 65 122.541 119.994 2.547 1
1 798 . 9 1 1 A 69 69 VAL H H 66 9.050 8.582 0.468 1
1 799 . 9 1 1 A 69 69 VAL HA H 66 4.513 4.799 -0.286 1
1 807 . 9 1 1 A 69 69 VAL CA C 66 62.534 60.394 2.140 1
1 808 . 9 1 1 A 69 69 VAL CB C 66 33.052 34.142 -1.090 1
1 811 . 9 1 1 A 69 69 VAL N N 66 127.437 125.513 1.924 1
1 812 . 9 1 1 A 70 70 ILE H H 67 9.385 9.166 0.219 1
1 813 . 9 1 1 A 70 70 ILE HA H 67 4.475 4.514 -0.039 1
1 823 . 9 1 1 A 70 70 ILE CA C 67 59.863 60.724 -0.861 1
1 824 . 9 1 1 A 70 70 ILE CB C 67 37.487 38.149 -0.662 1
1 828 . 9 1 1 A 70 70 ILE N N 67 129.296 130.324 -1.028 1
1 829 . 9 1 1 A 71 71 ASP H H 68 9.343 9.040 0.303 1
1 830 . 9 1 1 A 71 71 ASP HA H 68 4.595 4.754 -0.159 1
1 833 . 9 1 1 A 71 71 ASP CA C 68 58.841 56.401 2.440 1
1 834 . 9 1 1 A 71 71 ASP CB C 68 40.637 40.215 0.422 1
1 835 . 9 1 1 A 71 71 ASP N N 68 128.749 127.934 0.815 1
1 836 . 9 1 1 A 72 72 GLU H H 69 9.718 8.524 1.194 1
1 837 . 9 1 1 A 72 72 GLU HA H 69 4.124 4.098 0.026 1
1 842 . 9 1 1 A 72 72 GLU CA C 69 59.335 59.343 -0.008 1
1 843 . 9 1 1 A 72 72 GLU CB C 69 29.131 29.160 -0.029 1
1 845 . 9 1 1 A 72 72 GLU N N 69 118.929 118.986 -0.057 1
1 846 . 9 1 1 A 73 73 LYS H H 70 6.653 7.748 -1.095 1
1 847 . 9 1 1 A 73 73 LYS HA H 70 4.517 4.329 0.188 1
1 856 . 9 1 1 A 73 73 LYS CA C 70 54.587 56.416 -1.829 1
1 857 . 9 1 1 A 73 73 LYS CB C 70 33.843 32.915 0.928 1
1 861 . 9 1 1 A 73 73 LYS N N 70 114.113 117.598 -3.485 1
1 862 . 9 1 1 A 74 74 VAL H H 71 7.832 7.611 0.221 1
1 863 . 9 1 1 A 74 74 VAL HA H 71 3.012 3.392 -0.380 1
1 871 . 9 1 1 A 74 74 VAL CA C 71 63.090 62.977 0.113 1
1 872 . 9 1 1 A 74 74 VAL CB C 71 29.226 28.970 0.256 1
1 875 . 9 1 1 A 74 74 VAL N N 71 119.223 116.757 2.466 1
1 876 . 9 1 1 A 75 75 VAL H H 72 7.732 7.964 -0.232 1
1 877 . 9 1 1 A 75 75 VAL HA H 72 4.950 5.070 -0.120 1
1 885 . 9 1 1 A 75 75 VAL CA C 72 60.455 60.573 -0.118 1
1 886 . 9 1 1 A 75 75 VAL CB C 72 37.925 35.081 2.844 1
1 889 . 9 1 1 A 75 75 VAL N N 72 117.190 120.369 -3.179 1
1 890 . 9 1 1 A 76 76 VAL H H 73 9.026 8.861 0.165 1
1 891 . 9 1 1 A 76 76 VAL HA H 73 4.349 4.730 -0.381 1
1 899 . 9 1 1 A 76 76 VAL CA C 73 62.527 61.617 0.910 1
1 900 . 9 1 1 A 76 76 VAL CB C 73 32.882 31.679 1.203 1
1 903 . 9 1 1 A 76 76 VAL N N 73 128.347 126.952 1.395 1
1 904 . 9 1 1 A 77 77 PHE H H 74 9.629 9.179 0.450 1
1 905 . 9 1 1 A 77 77 PHE HA H 74 5.898 4.952 0.946 1
1 913 . 9 1 1 A 77 77 PHE CA C 74 51.863 56.286 -4.423 1
1 914 . 9 1 1 A 77 77 PHE CB C 74 40.214 39.858 0.356 1
1 918 . 9 1 1 A 77 77 PHE N N 74 128.802 129.151 -0.349 1
1 919 . 9 1 1 A 78 78 VAL H H 75 9.535 8.741 0.794 1
1 920 . 9 1 1 A 78 78 VAL HA H 75 3.712 3.876 -0.164 1
1 928 . 9 1 1 A 78 78 VAL CA C 75 63.939 63.483 0.456 1
1 929 . 9 1 1 A 78 78 VAL CB C 75 31.079 31.274 -0.195 1
1 932 . 9 1 1 A 78 78 VAL N N 75 128.588 127.477 1.111 1
1 933 . 9 1 1 A 79 79 ILE H H 76 8.515 8.967 -0.452 1
1 934 . 9 1 1 A 79 79 ILE HA H 76 3.443 3.696 -0.253 1
1 944 . 9 1 1 A 79 79 ILE CA C 76 61.950 62.575 -0.625 1
1 945 . 9 1 1 A 79 79 ILE CB C 76 40.800 38.327 2.473 1
1 949 . 9 1 1 A 79 79 ILE N N 76 126.287 128.767 -2.480 1
1 950 . 9 1 1 A 80 80 SER H H 77 7.180 7.698 -0.518 1
1 951 . 9 1 1 A 80 80 SER HA H 77 4.506 4.854 -0.348 1
1 954 . 9 1 1 A 80 80 SER CA C 77 57.464 57.155 0.309 1
1 955 . 9 1 1 A 80 80 SER CB C 77 64.912 65.716 -0.804 1
1 956 . 9 1 1 A 80 80 SER N N 77 111.625 113.348 -1.723 1
1 957 . 9 1 1 A 81 81 VAL H H 78 8.641 8.599 0.042 1
1 958 . 9 1 1 A 81 81 VAL HA H 78 5.066 5.040 0.026 1
1 966 . 9 1 1 A 81 81 VAL CA C 78 60.913 60.760 0.153 1
1 967 . 9 1 1 A 81 81 VAL CB C 78 35.010 35.414 -0.404 1
1 970 . 9 1 1 A 81 81 VAL N N 78 126.742 122.668 4.074 1
1 971 . 9 1 1 A 82 82 GLY H H 79 8.658 8.393 0.265 1
1 972 . 9 1 1 A 82 82 GLY HA2 H 79 4.370 4.263 0.107 1
1 973 . 9 1 1 A 82 82 GLY HA3 H 79 4.160 4.441 -0.281 1
1 974 . 9 1 1 A 82 82 GLY CA C 79 46.036 43.993 2.043 1
1 975 . 9 1 1 A 82 82 GLY N N 79 111.223 112.144 -0.921 1
1 976 . 9 1 1 A 83 83 LYS H H 80 8.569 8.330 0.239 1
1 977 . 9 1 1 A 83 83 LYS HA H 80 4.369 4.658 -0.289 1
1 986 . 9 1 1 A 83 83 LYS CA C 80 54.855 54.418 0.437 1
1 987 . 9 1 1 A 83 83 LYS CB C 80 34.866 34.259 0.607 1
1 991 . 9 1 1 A 83 83 LYS N N 80 121.257 121.018 0.239 1
1 992 . 9 1 1 A 84 84 ALA H H 81 8.334 8.667 -0.333 1
1 993 . 9 1 1 A 84 84 ALA HA H 81 4.274 4.995 -0.721 1
1 997 . 9 1 1 A 84 84 ALA CA C 81 52.003 49.944 2.059 1
1 998 . 9 1 1 A 84 84 ALA CB C 81 19.185 22.854 -3.669 1
1 999 . 9 1 1 A 84 84 ALA N N 81 126.662 122.222 4.440 1
1 1000 . 9 1 1 A 85 85 GLU H H 82 8.638 8.777 -0.139 1
1 1001 . 9 1 1 A 85 85 GLU HA H 82 4.214 4.377 -0.163 1
1 1006 . 9 1 1 A 85 85 GLU CA C 82 56.366 56.390 -0.024 1
1 1007 . 9 1 1 A 85 85 GLU CB C 82 30.238 28.387 1.851 1
1 1009 . 9 1 1 A 85 85 GLU N N 82 121.819 119.700 2.119 1
1 1010 . 9 1 1 A 86 86 ALA H H 83 8.462 8.190 0.272 1
1 1011 . 9 1 1 A 86 86 ALA HA H 83 4.341 4.069 0.272 1
1 1015 . 9 1 1 A 86 86 ALA CA C 83 52.156 54.730 -2.574 1
1 1016 . 9 1 1 A 86 86 ALA CB C 83 19.206 18.388 0.818 1
1 1017 . 9 1 1 A 86 86 ALA N N 83 125.350 125.834 -0.484 1
1 1018 . 9 1 1 A 87 87 SER H H 84 8.309 8.097 0.212 1
1 1019 . 9 1 1 A 87 87 SER HA H 84 4.400 4.279 0.121 1
1 1022 . 9 1 1 A 87 87 SER CA C 84 58.058 61.227 -3.169 1
1 1023 . 9 1 1 A 87 87 SER CB C 84 63.845 63.119 0.726 1
1 1024 . 9 1 1 A 87 87 SER N N 84 115.397 113.361 2.036 1
1 1025 . 9 1 1 A 88 88 GLU H H 85 8.443 7.688 0.755 1
1 1026 . 9 1 1 A 88 88 GLU HA H 85 4.318 3.990 0.328 1
1 1031 . 9 1 1 A 88 88 GLU CA C 85 56.465 55.265 1.200 1
1 1032 . 9 1 1 A 88 88 GLU CB C 85 30.464 30.711 -0.247 1
1 1034 . 9 1 1 A 88 88 GLU N N 85 122.947 117.093 5.854 1
1 1035 . 9 1 1 A 89 89 VAL H H 86 8.098 7.305 0.793 1
1 1036 . 9 1 1 A 89 89 VAL HA H 86 4.044 3.644 0.400 1
1 1044 . 9 1 1 A 89 89 VAL CA C 86 62.293 64.895 -2.602 1
1 1045 . 9 1 1 A 89 89 VAL CB C 86 32.703 31.536 1.167 1
1 1048 . 9 1 1 A 89 89 VAL N N 86 120.884 120.352 0.532 1
1 1049 . 9 1 1 A 90 90 TYR H H 87 8.313 7.765 0.548 1
1 1050 . 9 1 1 A 90 90 TYR HA H 87 4.623 4.394 0.229 1
1 1057 . 9 1 1 A 90 90 TYR CA C 87 57.791 59.852 -2.061 1
1 1058 . 9 1 1 A 90 90 TYR CB C 87 38.795 36.997 1.798 1
1 1061 . 9 1 1 A 90 90 TYR N N 87 124.634 120.797 3.837 1
1 1062 . 9 1 1 A 91 91 SER H H 88 8.140 7.532 0.608 1
1 1063 . 9 1 1 A 91 91 SER HA H 88 4.411 4.643 -0.232 1
1 1066 . 9 1 1 A 91 91 SER CA C 88 58.396 61.644 -3.248 1
1 1067 . 9 1 1 A 91 91 SER CB C 88 63.703 62.971 0.732 1
1 1068 . 9 1 1 A 91 91 SER N N 88 118.447 117.035 1.412 1
1 1069 . 9 1 1 A 92 92 GLU H H 89 8.400 7.744 0.656 1
1 1070 . 9 1 1 A 92 92 GLU HA H 89 4.245 4.038 0.207 1
1 1075 . 9 1 1 A 92 92 GLU CA C 89 56.465 59.344 -2.879 1
1 1076 . 9 1 1 A 92 92 GLU CB C 89 29.471 29.538 -0.067 1
1 1078 . 9 1 1 A 92 92 GLU N N 89 122.947 121.477 1.470 1
1 1079 . 9 1 1 A 93 93 ALA H H 90 8.224 7.916 0.308 1
1 1080 . 9 1 1 A 93 93 ALA HA H 90 4.287 4.345 -0.058 1
1 1084 . 9 1 1 A 93 93 ALA CA C 90 52.598 54.452 -1.854 1
1 1085 . 9 1 1 A 93 93 ALA CB C 90 18.864 19.395 -0.531 1
1 1086 . 9 1 1 A 93 93 ALA N N 90 124.404 120.862 3.542 1
1 1087 . 9 1 1 A 94 94 VAL H H 91 7.971 7.965 0.006 1
1 1088 . 9 1 1 A 94 94 VAL HA H 91 4.060 4.349 -0.289 1
1 1096 . 9 1 1 A 94 94 VAL CA C 91 62.072 61.064 1.008 1
1 1097 . 9 1 1 A 94 94 VAL CB C 91 32.601 32.539 0.062 1
1 1100 . 9 1 1 A 94 94 VAL N N 91 119.330 113.496 5.834 1
1 1101 . 9 1 1 A 95 95 LYS H H 92 8.271 8.471 -0.200 1
1 1102 . 9 1 1 A 95 95 LYS HA H 92 4.313 4.333 -0.020 1
1 1111 . 9 1 1 A 95 95 LYS CA C 92 56.078 56.117 -0.039 1
1 1112 . 9 1 1 A 95 95 LYS CB C 92 32.924 31.362 1.562 1
1 1116 . 9 1 1 A 95 95 LYS N N 92 124.941 124.011 0.930 1
1 1117 . 9 1 1 A 96 96 ARG H H 93 8.317 8.145 0.172 1
1 1118 . 9 1 1 A 96 96 ARG HA H 93 4.360 4.062 0.298 1
1 1125 . 9 1 1 A 96 96 ARG CA C 93 55.901 56.977 -1.076 1
1 1126 . 9 1 1 A 96 96 ARG CB C 93 30.906 28.751 2.155 1
1 1129 . 9 1 1 A 96 96 ARG N N 93 122.918 117.712 5.206 1
1 1130 . 9 1 1 A 97 97 ILE H H 94 8.251 8.069 0.182 1
1 1131 . 9 1 1 A 97 97 ILE HA H 94 4.184 4.128 0.056 1
1 1141 . 9 1 1 A 97 97 ILE CA C 94 60.946 63.218 -2.272 1
1 1142 . 9 1 1 A 97 97 ILE CB C 94 38.298 38.576 -0.278 1
1 1146 . 9 1 1 A 97 97 ILE N N 94 123.301 119.502 3.799 1
1 1191 . 9 2 2 B 5 5 GLN H H 48 8.533 8.205 0.328 1
1 1192 . 9 2 2 B 5 5 GLN HA H 48 4.390 4.420 -0.030 1
1 1199 . 9 2 2 B 5 5 GLN C C 48 175.953 174.967 0.986 1
1 1200 . 9 2 2 B 5 5 GLN CA C 48 55.760 56.793 -1.033 1
1 1201 . 9 2 2 B 5 5 GLN CB C 48 29.225 30.213 -0.988 1
1 1203 . 9 2 2 B 5 5 GLN N N 48 122.121 117.131 4.990 1
1 1205 . 9 2 2 B 6 6 THR H H 49 8.281 7.570 0.711 1
1 1206 . 9 2 2 B 6 6 THR HA H 49 4.316 4.508 -0.192 1
1 1211 . 9 2 2 B 6 6 THR C C 49 174.156 174.078 0.078 1
1 1212 . 9 2 2 B 6 6 THR CA C 49 61.724 60.002 1.722 1
1 1213 . 9 2 2 B 6 6 THR CB C 49 69.452 70.330 -0.878 1
1 1215 . 9 2 2 B 6 6 THR N N 49 116.639 110.886 5.753 1
1 1216 . 9 2 2 B 7 7 LEU H H 50 8.328 8.567 -0.239 1
1 1217 . 9 2 2 B 7 7 LEU HA H 50 4.381 4.127 0.254 1
1 1227 . 9 2 2 B 7 7 LEU C C 50 176.985 176.767 0.218 1
1 1228 . 9 2 2 B 7 7 LEU CA C 50 55.093 58.254 -3.161 1
1 1229 . 9 2 2 B 7 7 LEU CB C 50 42.122 41.527 0.595 1
1 1233 . 9 2 2 B 7 7 LEU N N 50 125.001 125.305 -0.304 1
1 1234 . 9 2 2 B 8 8 LEU H H 51 8.264 7.563 0.701 1
1 1235 . 9 2 2 B 8 8 LEU HA H 51 4.410 4.461 -0.051 1
1 1245 . 9 2 2 B 8 8 LEU C C 51 177.235 176.445 0.790 1
1 1246 . 9 2 2 B 8 8 LEU CA C 51 54.936 54.036 0.900 1
1 1247 . 9 2 2 B 8 8 LEU CB C 51 42.292 43.397 -1.105 1
1 1251 . 9 2 2 B 8 8 LEU N N 51 123.073 117.055 6.018 1
1 1252 . 9 2 2 B 9 9 SER H H 52 8.499 9.456 -0.957 1
1 1253 . 9 2 2 B 9 9 SER HA H 52 4.410 4.855 -0.445 1
1 1256 . 9 2 2 B 9 9 SER C C 52 174.083 174.389 -0.306 1
1 1257 . 9 2 2 B 9 9 SER CA C 52 57.757 57.241 0.516 1
1 1258 . 9 2 2 B 9 9 SER CB C 52 63.734 66.742 -3.008 1
1 1259 . 9 2 2 B 9 9 SER N N 52 117.150 115.521 1.629 1
1 1260 . 9 2 2 B 10 10 ASP H H 53 8.416 8.749 -0.333 1
1 1261 . 9 2 2 B 10 10 ASP HA H 53 4.575 4.306 0.269 1
1 1264 . 9 2 2 B 10 10 ASP C C 53 176.911 177.840 -0.929 1
1 1265 . 9 2 2 B 10 10 ASP CA C 53 54.678 57.570 -2.892 1
1 1266 . 9 2 2 B 10 10 ASP CB C 53 40.771 40.702 0.069 1
1 1267 . 9 2 2 B 10 10 ASP N N 53 122.632 123.249 -0.617 1
1 1268 . 9 2 2 B 11 11 GLU H H 54 8.486 8.456 0.030 1
1 1269 . 9 2 2 B 11 11 GLU HA H 54 4.155 4.082 0.073 1
1 1274 . 9 2 2 B 11 11 GLU C C 54 177.220 177.806 -0.586 1
1 1275 . 9 2 2 B 11 11 GLU CA C 54 58.488 58.864 -0.376 1
1 1276 . 9 2 2 B 11 11 GLU CB C 54 29.615 28.552 1.063 1
1 1278 . 9 2 2 B 11 11 GLU N N 54 121.842 117.157 4.685 1
1 1279 . 9 2 2 B 12 12 ASP H H 55 8.301 7.990 0.311 1
1 1280 . 9 2 2 B 12 12 ASP HA H 55 4.470 4.356 0.114 1
1 1283 . 9 2 2 B 12 12 ASP C C 55 177.161 177.997 -0.836 1
1 1284 . 9 2 2 B 12 12 ASP CA C 55 55.901 57.208 -1.307 1
1 1285 . 9 2 2 B 12 12 ASP CB C 55 40.503 40.915 -0.412 1
1 1286 . 9 2 2 B 12 12 ASP N N 55 120.309 120.339 -0.030 1
1 1287 . 9 2 2 B 13 13 ALA H H 56 8.114 8.091 0.023 1
1 1288 . 9 2 2 B 13 13 ALA HA H 56 3.986 4.086 -0.100 1
1 1292 . 9 2 2 B 13 13 ALA C C 56 180.446 179.693 0.753 1
1 1293 . 9 2 2 B 13 13 ALA CA C 56 55.422 54.481 0.941 1
1 1294 . 9 2 2 B 13 13 ALA CB C 56 18.001 18.299 -0.298 1
1 1295 . 9 2 2 B 13 13 ALA N N 56 122.864 122.482 0.382 1
1 1296 . 9 2 2 B 14 14 GLU H H 57 8.105 7.569 0.536 1
1 1297 . 9 2 2 B 14 14 GLU HA H 57 4.010 4.115 -0.105 1
1 1302 . 9 2 2 B 14 14 GLU C C 57 178.914 179.083 -0.169 1
1 1303 . 9 2 2 B 14 14 GLU CA C 57 59.175 58.651 0.524 1
1 1304 . 9 2 2 B 14 14 GLU CB C 57 28.904 29.668 -0.764 1
1 1306 . 9 2 2 B 14 14 GLU N N 57 117.931 118.491 -0.560 1
1 1307 . 9 2 2 B 15 15 LEU H H 58 7.813 8.171 -0.358 1
1 1308 . 9 2 2 B 15 15 LEU HA H 58 4.062 4.079 -0.017 1
1 1318 . 9 2 2 B 15 15 LEU C C 58 178.634 179.591 -0.957 1
1 1319 . 9 2 2 B 15 15 LEU CA C 58 56.960 57.608 -0.648 1
1 1320 . 9 2 2 B 15 15 LEU CB C 58 41.973 41.471 0.502 1
1 1324 . 9 2 2 B 15 15 LEU N N 58 119.867 119.942 -0.075 1
1 1325 . 9 2 2 B 16 16 VAL H H 59 8.491 7.645 0.846 1
1 1326 . 9 2 2 B 16 16 VAL HA H 59 3.365 3.881 -0.516 1
1 1334 . 9 2 2 B 16 16 VAL C C 59 177.147 177.566 -0.419 1
1 1335 . 9 2 2 B 16 16 VAL CA C 59 67.142 65.400 1.742 1
1 1336 . 9 2 2 B 16 16 VAL CB C 59 31.176 31.437 -0.261 1
1 1339 . 9 2 2 B 16 16 VAL N N 59 118.357 116.326 2.031 1
1 1340 . 9 2 2 B 17 17 GLU H H 60 7.411 8.579 -1.168 1
1 1341 . 9 2 2 B 17 17 GLU HA H 60 4.015 4.093 -0.078 1
1 1346 . 9 2 2 B 17 17 GLU C C 60 179.636 178.495 1.141 1
1 1347 . 9 2 2 B 17 17 GLU CA C 60 59.203 58.774 0.429 1
1 1348 . 9 2 2 B 17 17 GLU CB C 60 28.970 28.571 0.399 1
1 1350 . 9 2 2 B 17 17 GLU N N 60 117.103 120.354 -3.251 1
1 1351 . 9 2 2 B 18 18 ILE H H 61 7.574 7.884 -0.310 1
1 1352 . 9 2 2 B 18 18 ILE HA H 61 3.830 3.789 0.041 1
1 1362 . 9 2 2 B 18 18 ILE C C 61 178.001 178.260 -0.259 1
1 1363 . 9 2 2 B 18 18 ILE CA C 61 63.982 64.603 -0.621 1
1 1364 . 9 2 2 B 18 18 ILE CB C 61 38.483 38.078 0.405 1
1 1368 . 9 2 2 B 18 18 ILE N N 61 120.727 121.481 -0.754 1
1 1369 . 9 2 2 B 19 19 VAL H H 62 8.294 8.129 0.165 1
1 1370 . 9 2 2 B 19 19 VAL HA H 62 3.360 3.757 -0.397 1
1 1378 . 9 2 2 B 19 19 VAL C C 62 177.338 177.636 -0.298 1
1 1379 . 9 2 2 B 19 19 VAL CA C 62 66.364 65.410 0.954 1
1 1380 . 9 2 2 B 19 19 VAL CB C 62 31.203 31.380 -0.177 1
1 1383 . 9 2 2 B 19 19 VAL N N 62 119.635 120.873 -1.238 1
1 1384 . 9 2 2 B 20 20 LYS H H 63 8.780 8.174 0.606 1
1 1385 . 9 2 2 B 20 20 LYS HA H 63 3.784 4.019 -0.235 1
1 1394 . 9 2 2 B 20 20 LYS C C 63 179.209 178.830 0.379 1
1 1395 . 9 2 2 B 20 20 LYS CA C 63 60.096 58.738 1.358 1
1 1396 . 9 2 2 B 20 20 LYS CB C 63 32.673 31.811 0.862 1
1 1400 . 9 2 2 B 20 20 LYS N N 63 118.009 120.477 -2.468 1
1 1401 . 9 2 2 B 21 21 GLU H H 64 7.567 8.108 -0.541 1
1 1402 . 9 2 2 B 21 21 GLU HA H 64 4.084 4.047 0.037 1
1 1407 . 9 2 2 B 21 21 GLU C C 64 179.592 179.728 -0.136 1
1 1408 . 9 2 2 B 21 21 GLU CA C 64 58.728 59.275 -0.547 1
1 1409 . 9 2 2 B 21 21 GLU CB C 64 28.974 29.123 -0.149 1
1 1411 . 9 2 2 B 21 21 GLU N N 64 117.452 119.948 -2.496 1
1 1412 . 9 2 2 B 22 22 ARG H H 65 8.156 7.758 0.398 1
1 1413 . 9 2 2 B 22 22 ARG HA H 65 4.053 4.120 -0.067 1
1 1420 . 9 2 2 B 22 22 ARG C C 65 177.986 177.823 0.163 1
1 1421 . 9 2 2 B 22 22 ARG CA C 65 61.243 58.280 2.963 1
1 1422 . 9 2 2 B 22 22 ARG CB C 65 29.980 30.295 -0.315 1
1 1425 . 9 2 2 B 22 22 ARG N N 65 119.635 119.644 -0.009 1
1 1426 . 9 2 2 B 23 23 LEU H H 66 8.436 8.183 0.253 1
1 1427 . 9 2 2 B 23 23 LEU HA H 66 4.106 4.083 0.023 1
1 1437 . 9 2 2 B 23 23 LEU C C 66 178.620 179.520 -0.900 1
1 1438 . 9 2 2 B 23 23 LEU CA C 66 56.667 56.850 -0.183 1
1 1439 . 9 2 2 B 23 23 LEU CB C 66 41.465 41.351 0.114 1
1 1443 . 9 2 2 B 23 23 LEU N N 66 115.686 117.875 -2.189 1
1 1444 . 9 2 2 B 24 24 ARG H H 67 7.404 8.376 -0.972 1
1 1445 . 9 2 2 B 24 24 ARG HA H 67 4.165 4.154 0.011 1
1 1452 . 9 2 2 B 24 24 ARG C C 67 177.147 176.475 0.672 1
1 1453 . 9 2 2 B 24 24 ARG CA C 67 59.004 58.395 0.609 1
1 1454 . 9 2 2 B 24 24 ARG CB C 67 30.472 30.078 0.394 1
1 1457 . 9 2 2 B 24 24 ARG N N 67 118.427 117.968 0.459 1
1 1458 . 9 2 2 B 25 25 ASN H H 68 7.322 8.049 -0.727 1
1 1459 . 9 2 2 B 25 25 ASN HA H 68 5.064 5.241 -0.177 1
1 1464 . 9 2 2 B 25 25 ASN CA C 68 51.014 50.417 0.597 1
1 1465 . 9 2 2 B 25 25 ASN CB C 68 38.696 38.975 -0.279 1
1 1466 . 9 2 2 B 25 25 ASN N N 68 114.083 117.647 -3.564 1
1 1468 . 9 2 2 B 26 26 PRO HA H 69 4.521 4.479 0.042 1
1 1475 . 9 2 2 B 26 26 PRO C C 69 177.323 177.163 0.160 1
1 1476 . 9 2 2 B 26 26 PRO CA C 69 63.698 65.541 -1.843 1
1 1477 . 9 2 2 B 26 26 PRO CB C 69 33.286 31.752 1.534 1
1 1480 . 9 2 2 B 27 27 LYS H H 70 8.672 7.957 0.715 1
1 1481 . 9 2 2 B 27 27 LYS HA H 70 4.980 3.958 1.022 1
1 1490 . 9 2 2 B 27 27 LYS CA C 70 52.767 56.508 -3.741 1
1 1491 . 9 2 2 B 27 27 LYS CB C 70 33.540 31.008 2.532 1
1 1495 . 9 2 2 B 27 27 LYS N N 70 121.210 115.305 5.905 1
1 1496 . 9 2 2 B 28 28 PRO HA H 71 4.467 4.676 -0.209 1
1 1503 . 9 2 2 B 28 28 PRO C C 71 177.235 175.543 1.692 1
1 1504 . 9 2 2 B 28 28 PRO CA C 71 63.859 62.412 1.447 1
1 1505 . 9 2 2 B 28 28 PRO CB C 71 32.632 32.497 0.135 1
1 1508 . 9 2 2 B 29 29 VAL H H 72 9.036 8.472 0.564 1
1 1509 . 9 2 2 B 29 29 VAL HA H 72 4.155 4.515 -0.360 1
1 1517 . 9 2 2 B 29 29 VAL C C 72 174.554 175.489 -0.935 1
1 1518 . 9 2 2 B 29 29 VAL CA C 72 61.506 60.718 0.788 1
1 1519 . 9 2 2 B 29 29 VAL CB C 72 34.764 34.213 0.551 1
1 1522 . 9 2 2 B 29 29 VAL N N 72 124.322 122.201 2.121 1
1 1523 . 9 2 2 B 30 30 ARG H H 73 8.437 8.640 -0.203 1
1 1524 . 9 2 2 B 30 30 ARG HA H 73 5.195 4.483 0.712 1
1 1531 . 9 2 2 B 30 30 ARG C C 73 176.248 176.252 -0.004 1
1 1532 . 9 2 2 B 30 30 ARG CA C 73 55.189 56.301 -1.112 1
1 1533 . 9 2 2 B 30 30 ARG CB C 73 27.764 30.743 -2.979 1
1 1536 . 9 2 2 B 30 30 ARG N N 73 129.461 127.603 1.858 1
1 1537 . 9 2 2 B 31 31 VAL H H 74 8.822 8.798 0.024 1
1 1538 . 9 2 2 B 31 31 VAL HA H 74 4.889 5.080 -0.191 1
1 1546 . 9 2 2 B 31 31 VAL C C 74 173.965 173.885 0.080 1
1 1547 . 9 2 2 B 31 31 VAL CA C 74 59.055 59.092 -0.037 1
1 1548 . 9 2 2 B 31 31 VAL CB C 74 35.653 36.419 -0.766 1
1 1551 . 9 2 2 B 31 31 VAL N N 74 123.375 118.065 5.310 1
1 1552 . 9 2 2 B 32 32 THR H H 75 7.855 8.364 -0.509 1
1 1553 . 9 2 2 B 32 32 THR HA H 75 4.730 5.068 -0.338 1
1 1558 . 9 2 2 B 32 32 THR C C 75 175.865 175.386 0.479 1
1 1559 . 9 2 2 B 32 32 THR CA C 75 59.052 59.172 -0.120 1
1 1560 . 9 2 2 B 32 32 THR CB C 75 71.228 72.007 -0.779 1
1 1562 . 9 2 2 B 32 32 THR N N 75 109.507 110.871 -1.364 1
1 1563 . 9 2 2 B 33 33 LEU H H 76 8.841 8.977 -0.136 1
1 1564 . 9 2 2 B 33 33 LEU HA H 76 3.773 4.018 -0.245 1
1 1574 . 9 2 2 B 33 33 LEU C C 76 178.737 178.746 -0.009 1
1 1575 . 9 2 2 B 33 33 LEU CA C 76 57.892 57.738 0.154 1
1 1576 . 9 2 2 B 33 33 LEU CB C 76 41.057 41.349 -0.292 1
1 1580 . 9 2 2 B 33 33 LEU N N 76 121.099 122.592 -1.493 1
1 1581 . 9 2 2 B 34 34 ASP H H 77 7.983 8.421 -0.438 1
1 1582 . 9 2 2 B 34 34 ASP HA H 77 4.431 4.285 0.146 1
1 1585 . 9 2 2 B 34 34 ASP C C 77 177.088 178.149 -1.061 1
1 1586 . 9 2 2 B 34 34 ASP CA C 77 55.837 57.988 -2.151 1
1 1587 . 9 2 2 B 34 34 ASP CB C 77 40.498 41.967 -1.469 1
1 1588 . 9 2 2 B 34 34 ASP N N 77 113.851 119.982 -6.131 1
1 1589 . 9 2 2 B 35 35 GLU H H 78 7.561 7.960 -0.399 1
1 1590 . 9 2 2 B 35 35 GLU HA H 78 4.320 4.190 0.130 1
1 1595 . 9 2 2 B 35 35 GLU C C 78 175.482 176.838 -1.356 1
1 1596 . 9 2 2 B 35 35 GLU CA C 78 55.918 57.669 -1.751 1
1 1597 . 9 2 2 B 35 35 GLU CB C 78 30.767 29.602 1.165 1
1 1599 . 9 2 2 B 35 35 GLU N N 78 117.508 116.219 1.289 1
1 15 . 10 1 1 A 5 5 ALA H H 2 8.098 7.778 0.320 1
1 16 . 10 1 1 A 5 5 ALA HA H 2 4.389 4.174 0.215 1
1 20 . 10 1 1 A 5 5 ALA CA C 2 51.852 54.730 -2.878 1
1 21 . 10 1 1 A 5 5 ALA CB C 2 19.420 19.182 0.238 1
1 22 . 10 1 1 A 5 5 ALA N N 2 125.572 123.791 1.781 1
1 23 . 10 1 1 A 6 6 TYR H H 3 8.402 8.061 0.341 1
1 24 . 10 1 1 A 6 6 TYR HA H 3 4.236 4.461 -0.225 1
1 31 . 10 1 1 A 6 6 TYR CA C 3 57.802 57.066 0.736 1
1 32 . 10 1 1 A 6 6 TYR CB C 3 39.608 39.914 -0.306 1
1 35 . 10 1 1 A 6 6 TYR N N 3 120.730 115.634 5.096 1
1 36 . 10 1 1 A 7 7 PHE H H 4 8.958 8.681 0.277 1
1 37 . 10 1 1 A 7 7 PHE HA H 4 4.509 4.788 -0.279 1
1 45 . 10 1 1 A 7 7 PHE CA C 4 57.936 57.875 0.061 1
1 46 . 10 1 1 A 7 7 PHE CB C 4 40.613 40.175 0.438 1
1 50 . 10 1 1 A 7 7 PHE N N 4 118.436 122.078 -3.642 1
1 51 . 10 1 1 A 8 8 LEU H H 5 8.711 8.683 0.028 1
1 52 . 10 1 1 A 8 8 LEU HA H 5 5.336 5.287 0.049 1
1 62 . 10 1 1 A 8 8 LEU CA C 5 53.391 53.626 -0.235 1
1 63 . 10 1 1 A 8 8 LEU CB C 5 44.716 45.688 -0.972 1
1 67 . 10 1 1 A 8 8 LEU N N 5 122.810 122.092 0.718 1
1 68 . 10 1 1 A 9 9 ASP H H 6 9.145 8.909 0.236 1
1 69 . 10 1 1 A 9 9 ASP HA H 6 5.999 5.556 0.443 1
1 72 . 10 1 1 A 9 9 ASP CA C 6 51.759 53.110 -1.351 1
1 73 . 10 1 1 A 9 9 ASP CB C 6 44.757 45.121 -0.364 1
1 74 . 10 1 1 A 9 9 ASP N N 6 124.570 125.751 -1.181 1
1 75 . 10 1 1 A 10 10 PHE H H 7 9.884 9.494 0.390 1
1 76 . 10 1 1 A 10 10 PHE HA H 7 5.231 5.209 0.022 1
1 83 . 10 1 1 A 10 10 PHE CA C 7 55.321 56.629 -1.308 1
1 84 . 10 1 1 A 10 10 PHE CB C 7 42.863 42.717 0.146 1
1 88 . 10 1 1 A 10 10 PHE N N 7 123.156 120.719 2.437 1
1 89 . 10 1 1 A 11 11 ASP H H 8 8.986 8.659 0.327 1
1 90 . 10 1 1 A 11 11 ASP HA H 8 4.924 4.851 0.073 1
1 93 . 10 1 1 A 11 11 ASP CA C 8 55.122 54.785 0.337 1
1 94 . 10 1 1 A 11 11 ASP CB C 8 44.453 43.088 1.365 1
1 95 . 10 1 1 A 11 11 ASP N N 8 123.103 124.614 -1.511 1
1 96 . 10 1 1 A 12 12 GLU H H 9 9.685 9.000 0.685 1
1 97 . 10 1 1 A 12 12 GLU HA H 9 3.984 4.097 -0.113 1
1 102 . 10 1 1 A 12 12 GLU CA C 9 60.974 59.491 1.483 1
1 103 . 10 1 1 A 12 12 GLU CB C 9 31.222 29.443 1.779 1
1 105 . 10 1 1 A 12 12 GLU N N 9 128.730 125.425 3.305 1
1 106 . 10 1 1 A 13 13 ARG H H 10 9.626 8.488 1.138 1
1 107 . 10 1 1 A 13 13 ARG HA H 10 4.063 4.041 0.022 1
1 114 . 10 1 1 A 13 13 ARG CA C 10 59.013 58.934 0.079 1
1 115 . 10 1 1 A 13 13 ARG CB C 10 30.124 30.404 -0.280 1
1 118 . 10 1 1 A 13 13 ARG N N 10 117.930 118.934 -1.004 1
1 119 . 10 1 1 A 14 14 ALA H H 11 7.268 8.273 -1.005 1
1 120 . 10 1 1 A 14 14 ALA HA H 11 5.323 4.555 0.768 1
1 124 . 10 1 1 A 14 14 ALA CA C 11 53.013 55.053 -2.040 1
1 125 . 10 1 1 A 14 14 ALA CB C 11 18.072 18.811 -0.739 1
1 126 . 10 1 1 A 14 14 ALA N N 11 122.063 122.390 -0.327 1
1 127 . 10 1 1 A 15 15 LEU H H 12 8.773 8.099 0.674 1
1 128 . 10 1 1 A 15 15 LEU HA H 12 4.318 2.980 1.338 1
1 138 . 10 1 1 A 15 15 LEU CA C 12 57.404 57.711 -0.307 1
1 139 . 10 1 1 A 15 15 LEU CB C 12 41.842 41.613 0.229 1
1 143 . 10 1 1 A 15 15 LEU N N 12 121.956 118.731 3.225 1
1 144 . 10 1 1 A 16 16 LYS H H 13 7.515 7.887 -0.372 1
1 145 . 10 1 1 A 16 16 LYS HA H 13 4.099 3.958 0.141 1
1 154 . 10 1 1 A 16 16 LYS CA C 13 59.837 59.078 0.759 1
1 155 . 10 1 1 A 16 16 LYS CB C 13 32.297 32.189 0.108 1
1 159 . 10 1 1 A 16 16 LYS N N 13 118.250 117.077 1.173 1
1 160 . 10 1 1 A 17 17 GLU H H 14 7.416 7.601 -0.185 1
1 161 . 10 1 1 A 17 17 GLU HA H 14 3.959 4.061 -0.102 1
1 166 . 10 1 1 A 17 17 GLU CA C 14 59.458 58.831 0.627 1
1 167 . 10 1 1 A 17 17 GLU CB C 14 29.644 29.641 0.003 1
1 169 . 10 1 1 A 17 17 GLU N N 14 118.330 118.860 -0.530 1
1 170 . 10 1 1 A 18 18 TRP H H 15 9.095 8.047 1.048 1
1 171 . 10 1 1 A 18 18 TRP HA H 15 4.013 4.509 -0.496 1
1 178 . 10 1 1 A 18 18 TRP CA C 15 60.476 59.821 0.655 1
1 179 . 10 1 1 A 18 18 TRP CB C 15 29.644 27.924 1.720 1
1 182 . 10 1 1 A 18 18 TRP N N 15 121.770 118.249 3.521 1
1 183 . 10 1 1 A 19 19 ARG H H 16 8.060 7.270 0.790 1
1 184 . 10 1 1 A 19 19 ARG HA H 16 4.030 4.231 -0.201 1
1 191 . 10 1 1 A 19 19 ARG CA C 16 57.993 57.862 0.131 1
1 192 . 10 1 1 A 19 19 ARG CB C 16 29.948 30.020 -0.072 1
1 195 . 10 1 1 A 19 19 ARG N N 16 113.396 120.732 -7.336 1
1 196 . 10 1 1 A 20 20 LYS H H 17 7.274 7.665 -0.391 1
1 197 . 10 1 1 A 20 20 LYS HA H 17 4.311 4.389 -0.078 1
1 206 . 10 1 1 A 20 20 LYS CA C 17 57.183 57.567 -0.384 1
1 207 . 10 1 1 A 20 20 LYS CB C 17 32.106 32.550 -0.444 1
1 211 . 10 1 1 A 20 20 LYS N N 17 116.232 114.949 1.283 1
1 212 . 10 1 1 A 21 21 LEU H H 18 7.359 6.900 0.459 1
1 213 . 10 1 1 A 21 21 LEU HA H 18 4.074 4.897 -0.823 1
1 223 . 10 1 1 A 21 21 LEU CA C 18 54.367 53.040 1.327 1
1 224 . 10 1 1 A 21 21 LEU CB C 18 43.185 44.771 -1.586 1
1 228 . 10 1 1 A 21 21 LEU N N 18 119.903 116.800 3.103 1
1 229 . 10 1 1 A 22 22 GLY H H 19 8.455 8.267 0.188 1
1 230 . 10 1 1 A 22 22 GLY HA2 H 19 4.103 4.073 0.030 1
1 231 . 10 1 1 A 22 22 GLY HA3 H 19 3.888 4.096 -0.208 1
1 232 . 10 1 1 A 22 22 GLY CA C 19 44.739 44.982 -0.243 1
1 233 . 10 1 1 A 22 22 GLY N N 19 108.063 107.279 0.784 1
1 234 . 10 1 1 A 23 23 SER H H 20 8.711 8.996 -0.285 1
1 235 . 10 1 1 A 23 23 SER HA H 20 4.422 4.162 0.260 1
1 238 . 10 1 1 A 23 23 SER CA C 20 58.325 61.658 -3.333 1
1 239 . 10 1 1 A 23 23 SER CB C 20 63.754 62.414 1.340 1
1 240 . 10 1 1 A 23 23 SER N N 20 117.509 116.081 1.428 1
1 241 . 10 1 1 A 24 24 THR H H 21 8.273 7.906 0.367 1
1 242 . 10 1 1 A 24 24 THR HA H 21 4.026 3.970 0.056 1
1 247 . 10 1 1 A 24 24 THR CA C 21 65.605 66.458 -0.853 1
1 248 . 10 1 1 A 24 24 THR CB C 21 68.013 68.048 -0.035 1
1 250 . 10 1 1 A 24 24 THR N N 21 116.047 117.125 -1.078 1
1 251 . 10 1 1 A 25 25 VAL H H 22 7.075 7.976 -0.901 1
1 252 . 10 1 1 A 25 25 VAL HA H 22 3.507 3.384 0.123 1
1 260 . 10 1 1 A 25 25 VAL CA C 22 65.475 66.708 -1.233 1
1 261 . 10 1 1 A 25 25 VAL CB C 22 31.319 31.280 0.039 1
1 264 . 10 1 1 A 25 25 VAL N N 22 122.543 121.804 0.739 1
1 265 . 10 1 1 A 26 26 ARG H H 23 7.781 8.056 -0.275 1
1 266 . 10 1 1 A 26 26 ARG HA H 23 3.116 4.011 -0.895 1
1 273 . 10 1 1 A 26 26 ARG CA C 23 60.215 58.075 2.140 1
1 274 . 10 1 1 A 26 26 ARG CB C 23 30.555 29.541 1.014 1
1 277 . 10 1 1 A 26 26 ARG N N 23 118.490 119.797 -1.307 1
1 278 . 10 1 1 A 27 27 GLU H H 24 8.107 8.201 -0.094 1
1 279 . 10 1 1 A 27 27 GLU HA H 24 4.031 4.082 -0.051 1
1 284 . 10 1 1 A 27 27 GLU CA C 24 59.421 58.961 0.460 1
1 285 . 10 1 1 A 27 27 GLU CB C 24 29.126 29.294 -0.168 1
1 287 . 10 1 1 A 27 27 GLU N N 24 116.756 118.853 -2.097 1
1 288 . 10 1 1 A 28 28 GLN H H 25 7.760 7.759 0.001 1
1 289 . 10 1 1 A 28 28 GLN HA H 25 4.097 3.989 0.108 1
1 296 . 10 1 1 A 28 28 GLN CA C 25 59.055 58.676 0.379 1
1 297 . 10 1 1 A 28 28 GLN CB C 25 29.925 28.051 1.874 1
1 299 . 10 1 1 A 28 28 GLN N N 25 118.410 119.236 -0.826 1
1 301 . 10 1 1 A 29 29 LEU H H 26 8.631 8.211 0.420 1
1 302 . 10 1 1 A 29 29 LEU HA H 26 4.145 3.917 0.228 1
1 312 . 10 1 1 A 29 29 LEU CA C 26 57.929 57.688 0.241 1
1 313 . 10 1 1 A 29 29 LEU CB C 26 42.787 41.552 1.235 1
1 317 . 10 1 1 A 29 29 LEU N N 26 119.716 120.325 -0.609 1
1 318 . 10 1 1 A 30 30 LYS H H 27 9.183 7.961 1.222 1
1 319 . 10 1 1 A 30 30 LYS HA H 27 3.981 3.881 0.100 1
1 328 . 10 1 1 A 30 30 LYS CA C 27 61.364 59.958 1.406 1
1 329 . 10 1 1 A 30 30 LYS CB C 27 32.137 31.924 0.213 1
1 333 . 10 1 1 A 30 30 LYS N N 27 120.836 117.050 3.786 1
1 334 . 10 1 1 A 31 31 LYS H H 28 7.580 7.675 -0.095 1
1 335 . 10 1 1 A 31 31 LYS HA H 28 4.050 4.074 -0.024 1
1 344 . 10 1 1 A 31 31 LYS CA C 28 59.586 59.690 -0.104 1
1 345 . 10 1 1 A 31 31 LYS CB C 28 32.373 31.946 0.427 1
1 349 . 10 1 1 A 31 31 LYS N N 28 116.783 119.683 -2.900 1
1 350 . 10 1 1 A 32 32 LYS H H 29 7.300 7.589 -0.289 1
1 351 . 10 1 1 A 32 32 LYS HA H 29 4.090 4.085 0.005 1
1 360 . 10 1 1 A 32 32 LYS CA C 29 57.130 58.514 -1.384 1
1 361 . 10 1 1 A 32 32 LYS N N 29 116.383 119.248 -2.865 1
1 362 . 10 1 1 A 33 33 LEU H H 30 8.722 7.965 0.757 1
1 363 . 10 1 1 A 33 33 LEU HA H 30 3.881 3.934 -0.053 1
1 373 . 10 1 1 A 33 33 LEU CA C 30 57.634 57.609 0.025 1
1 374 . 10 1 1 A 33 33 LEU CB C 30 42.116 41.653 0.463 1
1 378 . 10 1 1 A 33 33 LEU N N 30 121.770 120.082 1.688 1
1 379 . 10 1 1 A 34 34 VAL H H 31 8.067 7.969 0.098 1
1 380 . 10 1 1 A 34 34 VAL HA H 31 3.479 3.831 -0.352 1
1 388 . 10 1 1 A 34 34 VAL CA C 31 66.847 64.368 2.479 1
1 389 . 10 1 1 A 34 34 VAL CB C 31 31.860 31.564 0.296 1
1 392 . 10 1 1 A 34 34 VAL N N 31 118.116 119.093 -0.977 1
1 393 . 10 1 1 A 35 35 GLU H H 32 6.825 8.213 -1.388 1
1 394 . 10 1 1 A 35 35 GLU HA H 32 4.090 4.199 -0.109 1
1 399 . 10 1 1 A 35 35 GLU CA C 32 58.624 58.434 0.190 1
1 400 . 10 1 1 A 35 35 GLU CB C 32 29.746 29.926 -0.180 1
1 402 . 10 1 1 A 35 35 GLU N N 32 116.570 120.246 -3.676 1
1 403 . 10 1 1 A 36 36 VAL H H 33 7.785 7.707 0.078 1
1 404 . 10 1 1 A 36 36 VAL HA H 33 3.484 3.702 -0.218 1
1 412 . 10 1 1 A 36 36 VAL CA C 33 65.213 64.772 0.441 1
1 413 . 10 1 1 A 36 36 VAL CB C 33 31.932 31.299 0.633 1
1 416 . 10 1 1 A 36 36 VAL N N 33 120.618 120.227 0.391 1
1 417 . 10 1 1 A 37 37 LEU H H 34 7.956 7.640 0.316 1
1 418 . 10 1 1 A 37 37 LEU HA H 34 3.747 4.132 -0.385 1
1 428 . 10 1 1 A 37 37 LEU CA C 34 57.069 56.294 0.775 1
1 429 . 10 1 1 A 37 37 LEU CB C 34 40.916 41.611 -0.695 1
1 433 . 10 1 1 A 37 37 LEU N N 34 115.476 121.436 -5.960 1
1 434 . 10 1 1 A 38 38 GLU H H 35 7.042 8.062 -1.020 1
1 435 . 10 1 1 A 38 38 GLU HA H 35 4.395 4.644 -0.249 1
1 440 . 10 1 1 A 38 38 GLU CA C 35 57.553 57.703 -0.150 1
1 441 . 10 1 1 A 38 38 GLU CB C 35 30.234 31.869 -1.635 1
1 443 . 10 1 1 A 38 38 GLU N N 35 114.356 119.344 -4.988 1
1 444 . 10 1 1 A 39 39 SER H H 36 7.125 7.764 -0.639 1
1 445 . 10 1 1 A 39 39 SER HA H 36 4.593 4.921 -0.328 1
1 448 . 10 1 1 A 39 39 SER CA C 36 55.308 55.240 0.068 1
1 449 . 10 1 1 A 39 39 SER CB C 36 62.305 63.260 -0.955 1
1 450 . 10 1 1 A 39 39 SER N N 36 109.796 113.619 -3.823 1
1 451 . 10 1 1 A 40 40 PRO HA H 37 4.360 4.463 -0.103 1
1 458 . 10 1 1 A 40 40 PRO CA C 37 64.802 63.627 1.175 1
1 459 . 10 1 1 A 40 40 PRO CB C 37 32.562 32.606 -0.044 1
1 462 . 10 1 1 A 41 41 ARG H H 38 8.356 8.108 0.248 1
1 463 . 10 1 1 A 41 41 ARG HA H 38 3.271 3.867 -0.596 1
1 470 . 10 1 1 A 41 41 ARG CA C 38 56.364 54.975 1.389 1
1 471 . 10 1 1 A 41 41 ARG CB C 38 29.580 29.469 0.111 1
1 474 . 10 1 1 A 41 41 ARG N N 38 120.882 119.872 1.010 1
1 475 . 10 1 1 A 42 42 ILE H H 39 5.973 7.290 -1.317 1
1 476 . 10 1 1 A 42 42 ILE HA H 39 4.216 4.345 -0.129 1
1 486 . 10 1 1 A 42 42 ILE CA C 39 60.301 60.420 -0.119 1
1 487 . 10 1 1 A 42 42 ILE CB C 39 38.705 37.809 0.896 1
1 491 . 10 1 1 A 42 42 ILE N N 39 127.866 125.339 2.527 1
1 492 . 10 1 1 A 43 43 GLU H H 40 8.860 8.844 0.016 1
1 493 . 10 1 1 A 43 43 GLU HA H 40 4.218 4.256 -0.038 1
1 498 . 10 1 1 A 43 43 GLU CA C 40 59.945 58.731 1.214 1
1 499 . 10 1 1 A 43 43 GLU CB C 40 29.040 29.118 -0.078 1
1 501 . 10 1 1 A 43 43 GLU N N 40 129.498 126.400 3.098 1
1 502 . 10 1 1 A 44 44 ALA H H 41 8.827 7.656 1.171 1
1 503 . 10 1 1 A 44 44 ALA HA H 41 4.241 4.126 0.115 1
1 507 . 10 1 1 A 44 44 ALA CA C 41 54.035 54.020 0.015 1
1 508 . 10 1 1 A 44 44 ALA CB C 41 18.466 18.418 0.048 1
1 509 . 10 1 1 A 44 44 ALA N N 41 119.919 122.203 -2.284 1
1 510 . 10 1 1 A 45 45 ASN H H 42 8.184 8.072 0.112 1
1 511 . 10 1 1 A 45 45 ASN HA H 42 5.082 5.013 0.069 1
1 516 . 10 1 1 A 45 45 ASN CA C 42 51.401 52.670 -1.269 1
1 517 . 10 1 1 A 45 45 ASN CB C 42 38.684 39.487 -0.803 1
1 518 . 10 1 1 A 45 45 ASN N N 42 114.675 114.785 -0.110 1
1 520 . 10 1 1 A 46 46 LYS H H 43 7.515 7.431 0.084 1
1 521 . 10 1 1 A 46 46 LYS HA H 43 3.741 4.317 -0.576 1
1 530 . 10 1 1 A 46 46 LYS CA C 43 57.354 56.205 1.149 1
1 531 . 10 1 1 A 46 46 LYS CB C 43 32.905 32.981 -0.076 1
1 535 . 10 1 1 A 46 46 LYS N N 43 122.167 118.397 3.770 1
1 536 . 10 1 1 A 47 47 LEU H H 44 8.184 8.160 0.024 1
1 537 . 10 1 1 A 47 47 LEU HA H 44 4.297 4.287 0.010 1
1 547 . 10 1 1 A 47 47 LEU CA C 44 53.422 54.556 -1.134 1
1 548 . 10 1 1 A 47 47 LEU CB C 44 42.208 42.165 0.043 1
1 552 . 10 1 1 A 47 47 LEU N N 44 127.544 122.542 5.002 1
1 553 . 10 1 1 A 48 48 ARG H H 45 8.706 8.628 0.078 1
1 554 . 10 1 1 A 48 48 ARG HA H 45 3.918 4.427 -0.509 1
1 561 . 10 1 1 A 48 48 ARG CA C 45 57.765 55.788 1.977 1
1 562 . 10 1 1 A 48 48 ARG CB C 45 29.686 29.472 0.214 1
1 565 . 10 1 1 A 48 48 ARG N N 45 128.641 122.915 5.726 1
1 566 . 10 1 1 A 49 49 GLY H H 46 8.543 8.140 0.403 1
1 567 . 10 1 1 A 49 49 GLY HA2 H 46 4.129 3.994 0.135 1
1 568 . 10 1 1 A 49 49 GLY HA3 H 46 3.662 3.996 -0.334 1
1 569 . 10 1 1 A 49 49 GLY CA C 46 44.981 45.224 -0.243 1
1 570 . 10 1 1 A 49 49 GLY N N 46 110.474 112.035 -1.561 1
1 571 . 10 1 1 A 50 50 MET H H 47 7.404 7.860 -0.456 1
1 572 . 10 1 1 A 50 50 MET HA H 47 5.226 4.799 0.427 1
1 580 . 10 1 1 A 50 50 MET CA C 47 50.824 52.375 -1.551 1
1 581 . 10 1 1 A 50 50 MET CB C 47 33.186 32.804 0.382 1
1 584 . 10 1 1 A 50 50 MET N N 47 118.742 120.077 -1.335 1
1 585 . 10 1 1 A 51 51 PRO HA H 48 4.344 4.345 -0.001 1
1 592 . 10 1 1 A 51 51 PRO CA C 48 63.591 64.009 -0.418 1
1 593 . 10 1 1 A 51 51 PRO CB C 48 31.942 31.725 0.217 1
1 596 . 10 1 1 A 52 52 ASP H H 49 8.703 8.295 0.408 1
1 597 . 10 1 1 A 52 52 ASP HA H 49 4.392 4.559 -0.167 1
1 600 . 10 1 1 A 52 52 ASP CA C 49 56.244 54.252 1.992 1
1 601 . 10 1 1 A 52 52 ASP N N 49 116.361 116.953 -0.592 1
1 602 . 10 1 1 A 53 53 CYS H H 50 7.456 6.784 0.672 1
1 603 . 10 1 1 A 53 53 CYS HA H 50 5.799 4.862 0.937 1
1 606 . 10 1 1 A 53 53 CYS CA C 50 58.147 57.411 0.736 1
1 607 . 10 1 1 A 53 53 CYS CB C 50 30.953 30.740 0.213 1
1 608 . 10 1 1 A 53 53 CYS N N 50 114.086 117.696 -3.610 1
1 609 . 10 1 1 A 54 54 TYR H H 51 8.939 8.553 0.386 1
1 610 . 10 1 1 A 54 54 TYR HA H 51 4.662 5.060 -0.398 1
1 617 . 10 1 1 A 54 54 TYR CA C 51 56.444 56.298 0.146 1
1 618 . 10 1 1 A 54 54 TYR CB C 51 43.000 42.981 0.019 1
1 620 . 10 1 1 A 54 54 TYR N N 51 120.722 120.777 -0.055 1
1 621 . 10 1 1 A 55 55 LYS H H 52 8.665 8.832 -0.167 1
1 622 . 10 1 1 A 55 55 LYS HA H 52 5.456 5.410 0.046 1
1 631 . 10 1 1 A 55 55 LYS CA C 52 53.968 54.251 -0.283 1
1 632 . 10 1 1 A 55 55 LYS CB C 52 36.126 36.733 -0.607 1
1 636 . 10 1 1 A 55 55 LYS N N 52 117.297 117.765 -0.468 1
1 637 . 10 1 1 A 56 56 ILE H H 53 9.272 8.658 0.614 1
1 638 . 10 1 1 A 56 56 ILE HA H 53 4.428 4.906 -0.478 1
1 648 . 10 1 1 A 56 56 ILE CA C 53 60.803 59.209 1.594 1
1 649 . 10 1 1 A 56 56 ILE CB C 53 40.849 41.959 -1.110 1
1 653 . 10 1 1 A 56 56 ILE N N 53 122.006 121.119 0.887 1
1 654 . 10 1 1 A 57 57 LYS H H 54 8.745 8.934 -0.189 1
1 655 . 10 1 1 A 57 57 LYS HA H 54 5.093 5.417 -0.324 1
1 664 . 10 1 1 A 57 57 LYS CA C 54 54.227 54.775 -0.548 1
1 665 . 10 1 1 A 57 57 LYS CB C 54 35.595 36.199 -0.604 1
1 669 . 10 1 1 A 57 57 LYS N N 54 125.752 122.935 2.817 1
1 670 . 10 1 1 A 58 58 LEU H H 55 8.543 8.857 -0.314 1
1 671 . 10 1 1 A 58 58 LEU HA H 55 4.788 4.434 0.354 1
1 681 . 10 1 1 A 58 58 LEU CA C 55 53.151 54.973 -1.822 1
1 682 . 10 1 1 A 58 58 LEU CB C 55 41.238 41.469 -0.231 1
1 686 . 10 1 1 A 58 58 LEU N N 55 124.173 124.889 -0.716 1
1 687 . 10 1 1 A 59 59 ARG HA H 56 4.039 3.929 0.110 1
1 694 . 10 1 1 A 59 59 ARG CA C 56 59.531 60.003 -0.472 1
1 695 . 10 1 1 A 59 59 ARG CB C 56 32.180 30.337 1.843 1
1 698 . 10 1 1 A 60 60 SER HA H 57 4.335 4.298 0.037 1
1 701 . 10 1 1 A 60 60 SER CA C 57 60.035 62.104 -2.069 1
1 702 . 10 1 1 A 60 60 SER CB C 57 62.551 63.526 -0.975 1
1 703 . 10 1 1 A 61 61 SER H H 58 7.605 7.968 -0.363 1
1 704 . 10 1 1 A 61 61 SER HA H 58 4.604 4.561 0.043 1
1 707 . 10 1 1 A 61 61 SER CA C 58 58.122 59.521 -1.399 1
1 708 . 10 1 1 A 61 61 SER CB C 58 64.520 63.727 0.793 1
1 709 . 10 1 1 A 61 61 SER N N 58 112.447 113.915 -1.468 1
1 710 . 10 1 1 A 62 62 GLY H H 59 8.214 8.384 -0.170 1
1 711 . 10 1 1 A 62 62 GLY HA2 H 59 4.091 3.909 0.182 1
1 712 . 10 1 1 A 62 62 GLY HA3 H 59 3.824 3.938 -0.114 1
1 713 . 10 1 1 A 62 62 GLY CA C 59 45.562 46.146 -0.584 1
1 714 . 10 1 1 A 62 62 GLY N N 59 108.976 110.166 -1.190 1
1 715 . 10 1 1 A 63 63 TYR H H 60 7.283 8.009 -0.726 1
1 716 . 10 1 1 A 63 63 TYR HA H 60 4.619 4.667 -0.048 1
1 723 . 10 1 1 A 63 63 TYR CA C 60 60.412 57.953 2.459 1
1 724 . 10 1 1 A 63 63 TYR CB C 60 40.339 40.911 -0.572 1
1 727 . 10 1 1 A 63 63 TYR N N 60 117.859 118.838 -0.979 1
1 728 . 10 1 1 A 64 64 ARG H H 61 9.296 9.124 0.172 1
1 729 . 10 1 1 A 64 64 ARG HA H 61 5.634 5.490 0.144 1
1 736 . 10 1 1 A 64 64 ARG CA C 61 54.114 54.041 0.073 1
1 737 . 10 1 1 A 64 64 ARG CB C 61 33.245 34.570 -1.325 1
1 740 . 10 1 1 A 64 64 ARG N N 61 117.912 119.310 -1.398 1
1 741 . 10 1 1 A 65 65 LEU H H 62 9.077 8.917 0.160 1
1 742 . 10 1 1 A 65 65 LEU HA H 62 5.459 5.087 0.372 1
1 752 . 10 1 1 A 65 65 LEU CA C 62 54.114 54.617 -0.503 1
1 753 . 10 1 1 A 65 65 LEU CB C 62 46.977 45.890 1.087 1
1 757 . 10 1 1 A 65 65 LEU N N 62 123.590 122.174 1.416 1
1 758 . 10 1 1 A 66 66 VAL H H 63 8.729 8.945 -0.216 1
1 759 . 10 1 1 A 66 66 VAL HA H 63 5.206 5.045 0.161 1
1 767 . 10 1 1 A 66 66 VAL CA C 63 60.112 60.911 -0.799 1
1 768 . 10 1 1 A 66 66 VAL CB C 63 34.296 33.540 0.756 1
1 771 . 10 1 1 A 66 66 VAL N N 63 123.237 126.086 -2.849 1
1 772 . 10 1 1 A 67 67 TYR H H 64 8.976 8.860 0.116 1
1 773 . 10 1 1 A 67 67 TYR HA H 64 5.745 5.428 0.317 1
1 780 . 10 1 1 A 67 67 TYR CA C 64 53.968 55.515 -1.547 1
1 781 . 10 1 1 A 67 67 TYR CB C 64 42.534 41.791 0.743 1
1 784 . 10 1 1 A 67 67 TYR N N 64 124.227 123.280 0.947 1
1 785 . 10 1 1 A 68 68 GLN H H 65 9.696 8.816 0.880 1
1 786 . 10 1 1 A 68 68 GLN HA H 65 5.640 4.969 0.671 1
1 793 . 10 1 1 A 68 68 GLN CA C 65 52.933 54.061 -1.128 1
1 794 . 10 1 1 A 68 68 GLN CB C 65 33.585 32.411 1.174 1
1 796 . 10 1 1 A 68 68 GLN N N 65 122.541 120.089 2.452 1
1 798 . 10 1 1 A 69 69 VAL H H 66 9.050 8.776 0.274 1
1 799 . 10 1 1 A 69 69 VAL HA H 66 4.513 4.614 -0.101 1
1 807 . 10 1 1 A 69 69 VAL CA C 66 62.534 62.126 0.408 1
1 808 . 10 1 1 A 69 69 VAL CB C 66 33.052 31.989 1.063 1
1 811 . 10 1 1 A 69 69 VAL N N 66 127.437 126.427 1.010 1
1 812 . 10 1 1 A 70 70 ILE H H 67 9.385 9.066 0.319 1
1 813 . 10 1 1 A 70 70 ILE HA H 67 4.475 4.498 -0.023 1
1 823 . 10 1 1 A 70 70 ILE CA C 67 59.863 60.962 -1.099 1
1 824 . 10 1 1 A 70 70 ILE CB C 67 37.487 37.487 0.000 1
1 828 . 10 1 1 A 70 70 ILE N N 67 129.296 127.989 1.307 1
1 829 . 10 1 1 A 71 71 ASP H H 68 9.343 8.989 0.354 1
1 830 . 10 1 1 A 71 71 ASP HA H 68 4.595 4.597 -0.002 1
1 833 . 10 1 1 A 71 71 ASP CA C 68 58.841 57.227 1.614 1
1 834 . 10 1 1 A 71 71 ASP CB C 68 40.637 40.727 -0.090 1
1 835 . 10 1 1 A 71 71 ASP N N 68 128.749 129.071 -0.322 1
1 836 . 10 1 1 A 72 72 GLU H H 69 9.718 9.092 0.626 1
1 837 . 10 1 1 A 72 72 GLU HA H 69 4.124 4.074 0.050 1
1 842 . 10 1 1 A 72 72 GLU CA C 69 59.335 59.288 0.047 1
1 843 . 10 1 1 A 72 72 GLU CB C 69 29.131 29.032 0.099 1
1 845 . 10 1 1 A 72 72 GLU N N 69 118.929 117.039 1.890 1
1 846 . 10 1 1 A 73 73 LYS H H 70 6.653 7.729 -1.076 1
1 847 . 10 1 1 A 73 73 LYS HA H 70 4.517 4.452 0.065 1
1 856 . 10 1 1 A 73 73 LYS CA C 70 54.587 56.000 -1.413 1
1 857 . 10 1 1 A 73 73 LYS CB C 70 33.843 32.560 1.283 1
1 861 . 10 1 1 A 73 73 LYS N N 70 114.113 117.284 -3.171 1
1 862 . 10 1 1 A 74 74 VAL H H 71 7.832 7.792 0.040 1
1 863 . 10 1 1 A 74 74 VAL HA H 71 3.012 3.575 -0.563 1
1 871 . 10 1 1 A 74 74 VAL CA C 71 63.090 62.688 0.402 1
1 872 . 10 1 1 A 74 74 VAL CB C 71 29.226 29.610 -0.384 1
1 875 . 10 1 1 A 74 74 VAL N N 71 119.223 116.734 2.489 1
1 876 . 10 1 1 A 75 75 VAL H H 72 7.732 8.051 -0.319 1
1 877 . 10 1 1 A 75 75 VAL HA H 72 4.950 4.891 0.059 1
1 885 . 10 1 1 A 75 75 VAL CA C 72 60.455 60.513 -0.058 1
1 886 . 10 1 1 A 75 75 VAL CB C 72 37.925 34.932 2.993 1
1 889 . 10 1 1 A 75 75 VAL N N 72 117.190 120.970 -3.780 1
1 890 . 10 1 1 A 76 76 VAL H H 73 9.026 8.831 0.195 1
1 891 . 10 1 1 A 76 76 VAL HA H 73 4.349 4.679 -0.330 1
1 899 . 10 1 1 A 76 76 VAL CA C 73 62.527 61.549 0.978 1
1 900 . 10 1 1 A 76 76 VAL CB C 73 32.882 31.766 1.116 1
1 903 . 10 1 1 A 76 76 VAL N N 73 128.347 126.832 1.515 1
1 904 . 10 1 1 A 77 77 PHE H H 74 9.629 9.144 0.485 1
1 905 . 10 1 1 A 77 77 PHE HA H 74 5.898 4.995 0.903 1
1 913 . 10 1 1 A 77 77 PHE CA C 74 51.863 56.120 -4.257 1
1 914 . 10 1 1 A 77 77 PHE CB C 74 40.214 39.848 0.366 1
1 918 . 10 1 1 A 77 77 PHE N N 74 128.802 129.054 -0.252 1
1 919 . 10 1 1 A 78 78 VAL H H 75 9.535 8.750 0.785 1
1 920 . 10 1 1 A 78 78 VAL HA H 75 3.712 3.865 -0.153 1
1 928 . 10 1 1 A 78 78 VAL CA C 75 63.939 63.416 0.523 1
1 929 . 10 1 1 A 78 78 VAL CB C 75 31.079 30.752 0.327 1
1 932 . 10 1 1 A 78 78 VAL N N 75 128.588 127.544 1.044 1
1 933 . 10 1 1 A 79 79 ILE H H 76 8.515 8.754 -0.239 1
1 934 . 10 1 1 A 79 79 ILE HA H 76 3.443 3.680 -0.237 1
1 944 . 10 1 1 A 79 79 ILE CA C 76 61.950 62.619 -0.669 1
1 945 . 10 1 1 A 79 79 ILE CB C 76 40.800 38.436 2.364 1
1 949 . 10 1 1 A 79 79 ILE N N 76 126.287 129.059 -2.772 1
1 950 . 10 1 1 A 80 80 SER H H 77 7.180 7.475 -0.295 1
1 951 . 10 1 1 A 80 80 SER HA H 77 4.506 5.468 -0.962 1
1 954 . 10 1 1 A 80 80 SER CA C 77 57.464 57.601 -0.137 1
1 955 . 10 1 1 A 80 80 SER CB C 77 64.912 66.841 -1.929 1
1 956 . 10 1 1 A 80 80 SER N N 77 111.625 115.033 -3.408 1
1 957 . 10 1 1 A 81 81 VAL H H 78 8.641 8.894 -0.253 1
1 958 . 10 1 1 A 81 81 VAL HA H 78 5.066 5.098 -0.032 1
1 966 . 10 1 1 A 81 81 VAL CA C 78 60.913 60.775 0.138 1
1 967 . 10 1 1 A 81 81 VAL CB C 78 35.010 35.154 -0.144 1
1 970 . 10 1 1 A 81 81 VAL N N 78 126.742 124.121 2.621 1
1 971 . 10 1 1 A 82 82 GLY H H 79 8.658 8.353 0.305 1
1 972 . 10 1 1 A 82 82 GLY HA2 H 79 4.370 4.248 0.122 1
1 973 . 10 1 1 A 82 82 GLY HA3 H 79 4.160 4.433 -0.273 1
1 974 . 10 1 1 A 82 82 GLY CA C 79 46.036 44.267 1.769 1
1 975 . 10 1 1 A 82 82 GLY N N 79 111.223 112.192 -0.969 1
1 976 . 10 1 1 A 83 83 LYS H H 80 8.569 8.348 0.221 1
1 977 . 10 1 1 A 83 83 LYS HA H 80 4.369 4.793 -0.424 1
1 986 . 10 1 1 A 83 83 LYS CA C 80 54.855 55.191 -0.336 1
1 987 . 10 1 1 A 83 83 LYS CB C 80 34.866 33.294 1.572 1
1 991 . 10 1 1 A 83 83 LYS N N 80 121.257 120.970 0.287 1
1 992 . 10 1 1 A 84 84 ALA H H 81 8.334 8.485 -0.151 1
1 993 . 10 1 1 A 84 84 ALA HA H 81 4.274 4.461 -0.187 1
1 997 . 10 1 1 A 84 84 ALA CA C 81 52.003 50.533 1.470 1
1 998 . 10 1 1 A 84 84 ALA CB C 81 19.185 20.306 -1.121 1
1 999 . 10 1 1 A 84 84 ALA N N 81 126.662 128.773 -2.111 1
1 1000 . 10 1 1 A 85 85 GLU H H 82 8.638 8.499 0.139 1
1 1001 . 10 1 1 A 85 85 GLU HA H 82 4.214 4.493 -0.279 1
1 1006 . 10 1 1 A 85 85 GLU CA C 82 56.366 56.643 -0.277 1
1 1007 . 10 1 1 A 85 85 GLU CB C 82 30.238 30.988 -0.750 1
1 1009 . 10 1 1 A 85 85 GLU N N 82 121.819 119.464 2.355 1
1 1010 . 10 1 1 A 86 86 ALA H H 83 8.462 8.436 0.026 1
1 1011 . 10 1 1 A 86 86 ALA HA H 83 4.341 4.539 -0.198 1
1 1015 . 10 1 1 A 86 86 ALA CA C 83 52.156 53.214 -1.058 1
1 1016 . 10 1 1 A 86 86 ALA CB C 83 19.206 21.584 -2.378 1
1 1017 . 10 1 1 A 86 86 ALA N N 83 125.350 127.697 -2.347 1
1 1018 . 10 1 1 A 87 87 SER H H 84 8.309 8.361 -0.052 1
1 1019 . 10 1 1 A 87 87 SER HA H 84 4.400 4.500 -0.100 1
1 1022 . 10 1 1 A 87 87 SER CA C 84 58.058 60.993 -2.935 1
1 1023 . 10 1 1 A 87 87 SER CB C 84 63.845 64.299 -0.454 1
1 1024 . 10 1 1 A 87 87 SER N N 84 115.397 113.846 1.551 1
1 1025 . 10 1 1 A 88 88 GLU H H 85 8.443 8.225 0.218 1
1 1026 . 10 1 1 A 88 88 GLU HA H 85 4.318 4.617 -0.299 1
1 1031 . 10 1 1 A 88 88 GLU CA C 85 56.465 58.203 -1.738 1
1 1032 . 10 1 1 A 88 88 GLU CB C 85 30.464 29.025 1.439 1
1 1034 . 10 1 1 A 88 88 GLU N N 85 122.947 121.533 1.414 1
1 1035 . 10 1 1 A 89 89 VAL H H 86 8.098 7.874 0.224 1
1 1036 . 10 1 1 A 89 89 VAL HA H 86 4.044 3.836 0.208 1
1 1044 . 10 1 1 A 89 89 VAL CA C 86 62.293 64.918 -2.625 1
1 1045 . 10 1 1 A 89 89 VAL CB C 86 32.703 31.632 1.071 1
1 1048 . 10 1 1 A 89 89 VAL N N 86 120.884 120.293 0.591 1
1 1049 . 10 1 1 A 90 90 TYR H H 87 8.313 7.921 0.392 1
1 1050 . 10 1 1 A 90 90 TYR HA H 87 4.623 4.191 0.432 1
1 1057 . 10 1 1 A 90 90 TYR CA C 87 57.791 60.740 -2.949 1
1 1058 . 10 1 1 A 90 90 TYR CB C 87 38.795 38.979 -0.184 1
1 1061 . 10 1 1 A 90 90 TYR N N 87 124.634 123.218 1.416 1
1 1062 . 10 1 1 A 91 91 SER H H 88 8.140 8.311 -0.171 1
1 1063 . 10 1 1 A 91 91 SER HA H 88 4.411 4.324 0.087 1
1 1066 . 10 1 1 A 91 91 SER CA C 88 58.396 61.628 -3.232 1
1 1067 . 10 1 1 A 91 91 SER CB C 88 63.703 63.297 0.406 1
1 1068 . 10 1 1 A 91 91 SER N N 88 118.447 115.761 2.686 1
1 1069 . 10 1 1 A 92 92 GLU H H 89 8.400 8.311 0.089 1
1 1070 . 10 1 1 A 92 92 GLU HA H 89 4.245 4.031 0.214 1
1 1075 . 10 1 1 A 92 92 GLU CA C 89 56.465 58.616 -2.151 1
1 1076 . 10 1 1 A 92 92 GLU CB C 89 29.471 29.353 0.118 1
1 1078 . 10 1 1 A 92 92 GLU N N 89 122.947 120.663 2.284 1
1 1079 . 10 1 1 A 93 93 ALA H H 90 8.224 7.497 0.727 1
1 1080 . 10 1 1 A 93 93 ALA HA H 90 4.287 4.266 0.021 1
1 1084 . 10 1 1 A 93 93 ALA CA C 90 52.598 52.395 0.203 1
1 1085 . 10 1 1 A 93 93 ALA CB C 90 18.864 19.142 -0.278 1
1 1086 . 10 1 1 A 93 93 ALA N N 90 124.404 122.075 2.329 1
1 1087 . 10 1 1 A 94 94 VAL H H 91 7.971 8.453 -0.482 1
1 1088 . 10 1 1 A 94 94 VAL HA H 91 4.060 4.110 -0.050 1
1 1096 . 10 1 1 A 94 94 VAL CA C 91 62.072 62.284 -0.212 1
1 1097 . 10 1 1 A 94 94 VAL CB C 91 32.601 31.897 0.704 1
1 1100 . 10 1 1 A 94 94 VAL N N 91 119.330 119.299 0.031 1
1 1101 . 10 1 1 A 95 95 LYS H H 92 8.271 8.594 -0.323 1
1 1102 . 10 1 1 A 95 95 LYS HA H 92 4.313 4.044 0.269 1
1 1111 . 10 1 1 A 95 95 LYS CA C 92 56.078 58.354 -2.276 1
1 1112 . 10 1 1 A 95 95 LYS CB C 92 32.924 32.614 0.310 1
1 1116 . 10 1 1 A 95 95 LYS N N 92 124.941 123.314 1.627 1
1 1117 . 10 1 1 A 96 96 ARG H H 93 8.317 8.205 0.112 1
1 1118 . 10 1 1 A 96 96 ARG HA H 93 4.360 4.275 0.085 1
1 1125 . 10 1 1 A 96 96 ARG CA C 93 55.901 56.141 -0.240 1
1 1126 . 10 1 1 A 96 96 ARG CB C 93 30.906 29.720 1.186 1
1 1129 . 10 1 1 A 96 96 ARG N N 93 122.918 118.192 4.726 1
1 1130 . 10 1 1 A 97 97 ILE H H 94 8.251 7.447 0.804 1
1 1131 . 10 1 1 A 97 97 ILE HA H 94 4.184 3.882 0.302 1
1 1141 . 10 1 1 A 97 97 ILE CA C 94 60.946 63.076 -2.130 1
1 1142 . 10 1 1 A 97 97 ILE CB C 94 38.298 37.888 0.410 1
1 1146 . 10 1 1 A 97 97 ILE N N 94 123.301 120.852 2.449 1
1 1191 . 10 2 2 B 5 5 GLN H H 48 8.533 8.827 -0.294 1
1 1192 . 10 2 2 B 5 5 GLN HA H 48 4.390 4.183 0.207 1
1 1199 . 10 2 2 B 5 5 GLN C C 48 175.953 175.507 0.446 1
1 1200 . 10 2 2 B 5 5 GLN CA C 48 55.760 57.209 -1.449 1
1 1201 . 10 2 2 B 5 5 GLN CB C 48 29.225 28.816 0.409 1
1 1203 . 10 2 2 B 5 5 GLN N N 48 122.121 121.039 1.082 1
1 1205 . 10 2 2 B 6 6 THR H H 49 8.281 7.503 0.778 1
1 1206 . 10 2 2 B 6 6 THR HA H 49 4.316 4.811 -0.495 1
1 1211 . 10 2 2 B 6 6 THR C C 49 174.156 173.257 0.899 1
1 1212 . 10 2 2 B 6 6 THR CA C 49 61.724 59.797 1.927 1
1 1213 . 10 2 2 B 6 6 THR CB C 49 69.452 71.291 -1.839 1
1 1215 . 10 2 2 B 6 6 THR N N 49 116.639 113.783 2.856 1
1 1216 . 10 2 2 B 7 7 LEU H H 50 8.328 8.508 -0.180 1
1 1217 . 10 2 2 B 7 7 LEU HA H 50 4.381 4.364 0.017 1
1 1227 . 10 2 2 B 7 7 LEU C C 50 176.985 176.916 0.069 1
1 1228 . 10 2 2 B 7 7 LEU CA C 50 55.093 54.703 0.390 1
1 1229 . 10 2 2 B 7 7 LEU CB C 50 42.122 41.629 0.493 1
1 1233 . 10 2 2 B 7 7 LEU N N 50 125.001 123.762 1.239 1
1 1234 . 10 2 2 B 8 8 LEU H H 51 8.264 6.969 1.295 1
1 1235 . 10 2 2 B 8 8 LEU HA H 51 4.410 4.640 -0.230 1
1 1245 . 10 2 2 B 8 8 LEU C C 51 177.235 176.028 1.207 1
1 1246 . 10 2 2 B 8 8 LEU CA C 51 54.936 53.660 1.276 1
1 1247 . 10 2 2 B 8 8 LEU CB C 51 42.292 43.268 -0.976 1
1 1251 . 10 2 2 B 8 8 LEU N N 51 123.073 118.338 4.735 1
1 1252 . 10 2 2 B 9 9 SER H H 52 8.499 9.365 -0.866 1
1 1253 . 10 2 2 B 9 9 SER HA H 52 4.410 4.707 -0.297 1
1 1256 . 10 2 2 B 9 9 SER C C 52 174.083 173.812 0.271 1
1 1257 . 10 2 2 B 9 9 SER CA C 52 57.757 55.967 1.790 1
1 1258 . 10 2 2 B 9 9 SER CB C 52 63.734 65.443 -1.709 1
1 1259 . 10 2 2 B 9 9 SER N N 52 117.150 116.271 0.879 1
1 1260 . 10 2 2 B 10 10 ASP H H 53 8.416 8.747 -0.331 1
1 1261 . 10 2 2 B 10 10 ASP HA H 53 4.575 4.371 0.204 1
1 1264 . 10 2 2 B 10 10 ASP C C 53 176.911 177.994 -1.083 1
1 1265 . 10 2 2 B 10 10 ASP CA C 53 54.678 57.181 -2.503 1
1 1266 . 10 2 2 B 10 10 ASP CB C 53 40.771 40.767 0.004 1
1 1267 . 10 2 2 B 10 10 ASP N N 53 122.632 124.794 -2.162 1
1 1268 . 10 2 2 B 11 11 GLU H H 54 8.486 8.442 0.044 1
1 1269 . 10 2 2 B 11 11 GLU HA H 54 4.155 4.075 0.080 1
1 1274 . 10 2 2 B 11 11 GLU C C 54 177.220 177.792 -0.572 1
1 1275 . 10 2 2 B 11 11 GLU CA C 54 58.488 59.134 -0.646 1
1 1276 . 10 2 2 B 11 11 GLU CB C 54 29.615 28.864 0.751 1
1 1278 . 10 2 2 B 11 11 GLU N N 54 121.842 117.178 4.664 1
1 1279 . 10 2 2 B 12 12 ASP H H 55 8.301 7.972 0.329 1
1 1280 . 10 2 2 B 12 12 ASP HA H 55 4.470 4.428 0.042 1
1 1283 . 10 2 2 B 12 12 ASP C C 55 177.161 178.007 -0.846 1
1 1284 . 10 2 2 B 12 12 ASP CA C 55 55.901 55.891 0.010 1
1 1285 . 10 2 2 B 12 12 ASP CB C 55 40.503 40.730 -0.227 1
1 1286 . 10 2 2 B 12 12 ASP N N 55 120.309 120.270 0.039 1
1 1287 . 10 2 2 B 13 13 ALA H H 56 8.114 7.950 0.164 1
1 1288 . 10 2 2 B 13 13 ALA HA H 56 3.986 4.060 -0.074 1
1 1292 . 10 2 2 B 13 13 ALA C C 56 180.446 179.694 0.752 1
1 1293 . 10 2 2 B 13 13 ALA CA C 56 55.422 54.492 0.930 1
1 1294 . 10 2 2 B 13 13 ALA CB C 56 18.001 18.133 -0.132 1
1 1295 . 10 2 2 B 13 13 ALA N N 56 122.864 121.789 1.075 1
1 1296 . 10 2 2 B 14 14 GLU H H 57 8.105 7.686 0.419 1
1 1297 . 10 2 2 B 14 14 GLU HA H 57 4.010 4.128 -0.118 1
1 1302 . 10 2 2 B 14 14 GLU C C 57 178.914 178.876 0.038 1
1 1303 . 10 2 2 B 14 14 GLU CA C 57 59.175 58.421 0.754 1
1 1304 . 10 2 2 B 14 14 GLU CB C 57 28.904 29.785 -0.881 1
1 1306 . 10 2 2 B 14 14 GLU N N 57 117.931 117.936 -0.005 1
1 1307 . 10 2 2 B 15 15 LEU H H 58 7.813 7.963 -0.150 1
1 1308 . 10 2 2 B 15 15 LEU HA H 58 4.062 4.057 0.005 1
1 1318 . 10 2 2 B 15 15 LEU C C 58 178.634 179.573 -0.939 1
1 1319 . 10 2 2 B 15 15 LEU CA C 58 56.960 58.167 -1.207 1
1 1320 . 10 2 2 B 15 15 LEU CB C 58 41.973 41.816 0.157 1
1 1324 . 10 2 2 B 15 15 LEU N N 58 119.867 120.308 -0.441 1
1 1325 . 10 2 2 B 16 16 VAL H H 59 8.491 7.830 0.661 1
1 1326 . 10 2 2 B 16 16 VAL HA H 59 3.365 3.903 -0.538 1
1 1334 . 10 2 2 B 16 16 VAL C C 59 177.147 177.627 -0.480 1
1 1335 . 10 2 2 B 16 16 VAL CA C 59 67.142 65.551 1.591 1
1 1336 . 10 2 2 B 16 16 VAL CB C 59 31.176 31.281 -0.105 1
1 1339 . 10 2 2 B 16 16 VAL N N 59 118.357 114.487 3.870 1
1 1340 . 10 2 2 B 17 17 GLU H H 60 7.411 7.936 -0.525 1
1 1341 . 10 2 2 B 17 17 GLU HA H 60 4.015 4.105 -0.090 1
1 1346 . 10 2 2 B 17 17 GLU C C 60 179.636 178.777 0.859 1
1 1347 . 10 2 2 B 17 17 GLU CA C 60 59.203 59.081 0.122 1
1 1348 . 10 2 2 B 17 17 GLU CB C 60 28.970 29.275 -0.305 1
1 1350 . 10 2 2 B 17 17 GLU N N 60 117.103 120.594 -3.491 1
1 1351 . 10 2 2 B 18 18 ILE H H 61 7.574 7.859 -0.285 1
1 1352 . 10 2 2 B 18 18 ILE HA H 61 3.830 4.013 -0.183 1
1 1362 . 10 2 2 B 18 18 ILE C C 61 178.001 178.383 -0.382 1
1 1363 . 10 2 2 B 18 18 ILE CA C 61 63.982 64.997 -1.015 1
1 1364 . 10 2 2 B 18 18 ILE CB C 61 38.483 37.332 1.151 1
1 1368 . 10 2 2 B 18 18 ILE N N 61 120.727 121.394 -0.667 1
1 1369 . 10 2 2 B 19 19 VAL H H 62 8.294 8.035 0.259 1
1 1370 . 10 2 2 B 19 19 VAL HA H 62 3.360 3.769 -0.409 1
1 1378 . 10 2 2 B 19 19 VAL C C 62 177.338 177.796 -0.458 1
1 1379 . 10 2 2 B 19 19 VAL CA C 62 66.364 65.437 0.927 1
1 1380 . 10 2 2 B 19 19 VAL CB C 62 31.203 31.425 -0.222 1
1 1383 . 10 2 2 B 19 19 VAL N N 62 119.635 121.379 -1.744 1
1 1384 . 10 2 2 B 20 20 LYS H H 63 8.780 7.740 1.040 1
1 1385 . 10 2 2 B 20 20 LYS HA H 63 3.784 4.078 -0.294 1
1 1394 . 10 2 2 B 20 20 LYS C C 63 179.209 178.053 1.156 1
1 1395 . 10 2 2 B 20 20 LYS CA C 63 60.096 58.740 1.356 1
1 1396 . 10 2 2 B 20 20 LYS CB C 63 32.673 31.558 1.115 1
1 1400 . 10 2 2 B 20 20 LYS N N 63 118.009 120.694 -2.685 1
1 1401 . 10 2 2 B 21 21 GLU H H 64 7.567 8.463 -0.896 1
1 1402 . 10 2 2 B 21 21 GLU HA H 64 4.084 4.079 0.005 1
1 1407 . 10 2 2 B 21 21 GLU C C 64 179.592 178.125 1.467 1
1 1408 . 10 2 2 B 21 21 GLU CA C 64 58.728 59.106 -0.378 1
1 1409 . 10 2 2 B 21 21 GLU CB C 64 28.974 29.013 -0.039 1
1 1411 . 10 2 2 B 21 21 GLU N N 64 117.452 120.530 -3.078 1
1 1412 . 10 2 2 B 22 22 ARG H H 65 8.156 7.536 0.620 1
1 1413 . 10 2 2 B 22 22 ARG HA H 65 4.053 4.156 -0.102 1
1 1420 . 10 2 2 B 22 22 ARG C C 65 177.986 179.130 -1.144 1
1 1421 . 10 2 2 B 22 22 ARG CA C 65 61.243 58.612 2.631 1
1 1422 . 10 2 2 B 22 22 ARG CB C 65 29.980 30.268 -0.288 1
1 1425 . 10 2 2 B 22 22 ARG N N 65 119.635 119.045 0.590 1
1 1426 . 10 2 2 B 23 23 LEU H H 66 8.436 8.251 0.185 1
1 1427 . 10 2 2 B 23 23 LEU HA H 66 4.106 4.134 -0.028 1
1 1437 . 10 2 2 B 23 23 LEU C C 66 178.620 178.542 0.078 1
1 1438 . 10 2 2 B 23 23 LEU CA C 66 56.667 56.965 -0.298 1
1 1439 . 10 2 2 B 23 23 LEU CB C 66 41.465 41.606 -0.141 1
1 1443 . 10 2 2 B 23 23 LEU N N 66 115.686 121.958 -6.272 1
1 1444 . 10 2 2 B 24 24 ARG H H 67 7.404 8.623 -1.219 1
1 1445 . 10 2 2 B 24 24 ARG HA H 67 4.165 4.189 -0.024 1
1 1452 . 10 2 2 B 24 24 ARG C C 67 177.147 176.289 0.858 1
1 1453 . 10 2 2 B 24 24 ARG CA C 67 59.004 57.913 1.091 1
1 1454 . 10 2 2 B 24 24 ARG CB C 67 30.472 29.677 0.795 1
1 1457 . 10 2 2 B 24 24 ARG N N 67 118.427 116.534 1.893 1
1 1458 . 10 2 2 B 25 25 ASN H H 68 7.322 7.696 -0.374 1
1 1459 . 10 2 2 B 25 25 ASN HA H 68 5.064 5.054 0.010 1
1 1464 . 10 2 2 B 25 25 ASN CA C 68 51.014 51.135 -0.121 1
1 1465 . 10 2 2 B 25 25 ASN CB C 68 38.696 38.692 0.004 1
1 1466 . 10 2 2 B 25 25 ASN N N 68 114.083 117.672 -3.589 1
1 1468 . 10 2 2 B 26 26 PRO HA H 69 4.521 4.383 0.138 1
1 1475 . 10 2 2 B 26 26 PRO C C 69 177.323 176.838 0.485 1
1 1476 . 10 2 2 B 26 26 PRO CA C 69 63.698 65.496 -1.798 1
1 1477 . 10 2 2 B 26 26 PRO CB C 69 33.286 31.791 1.495 1
1 1480 . 10 2 2 B 27 27 LYS H H 70 8.672 7.953 0.719 1
1 1481 . 10 2 2 B 27 27 LYS HA H 70 4.980 3.952 1.028 1
1 1490 . 10 2 2 B 27 27 LYS CA C 70 52.767 56.555 -3.788 1
1 1491 . 10 2 2 B 27 27 LYS CB C 70 33.540 30.908 2.632 1
1 1495 . 10 2 2 B 27 27 LYS N N 70 121.210 115.639 5.571 1
1 1496 . 10 2 2 B 28 28 PRO HA H 71 4.467 4.762 -0.295 1
1 1503 . 10 2 2 B 28 28 PRO C C 71 177.235 175.787 1.448 1
1 1504 . 10 2 2 B 28 28 PRO CA C 71 63.859 62.287 1.572 1
1 1505 . 10 2 2 B 28 28 PRO CB C 71 32.632 32.676 -0.044 1
1 1508 . 10 2 2 B 29 29 VAL H H 72 9.036 8.521 0.515 1
1 1509 . 10 2 2 B 29 29 VAL HA H 72 4.155 4.416 -0.261 1
1 1517 . 10 2 2 B 29 29 VAL C C 72 174.554 175.709 -1.155 1
1 1518 . 10 2 2 B 29 29 VAL CA C 72 61.506 60.876 0.630 1
1 1519 . 10 2 2 B 29 29 VAL CB C 72 34.764 33.591 1.173 1
1 1522 . 10 2 2 B 29 29 VAL N N 72 124.322 123.230 1.092 1
1 1523 . 10 2 2 B 30 30 ARG H H 73 8.437 8.616 -0.179 1
1 1524 . 10 2 2 B 30 30 ARG HA H 73 5.195 4.465 0.730 1
1 1531 . 10 2 2 B 30 30 ARG C C 73 176.248 176.232 0.016 1
1 1532 . 10 2 2 B 30 30 ARG CA C 73 55.189 56.353 -1.164 1
1 1533 . 10 2 2 B 30 30 ARG CB C 73 27.764 30.715 -2.951 1
1 1536 . 10 2 2 B 30 30 ARG N N 73 129.461 127.704 1.757 1
1 1537 . 10 2 2 B 31 31 VAL H H 74 8.822 8.812 0.010 1
1 1538 . 10 2 2 B 31 31 VAL HA H 74 4.889 5.076 -0.187 1
1 1546 . 10 2 2 B 31 31 VAL C C 74 173.965 173.929 0.036 1
1 1547 . 10 2 2 B 31 31 VAL CA C 74 59.055 59.129 -0.074 1
1 1548 . 10 2 2 B 31 31 VAL CB C 74 35.653 36.314 -0.661 1
1 1551 . 10 2 2 B 31 31 VAL N N 74 123.375 118.080 5.295 1
1 1552 . 10 2 2 B 32 32 THR H H 75 7.855 8.357 -0.502 1
1 1553 . 10 2 2 B 32 32 THR HA H 75 4.730 5.068 -0.338 1
1 1558 . 10 2 2 B 32 32 THR C C 75 175.865 175.363 0.502 1
1 1559 . 10 2 2 B 32 32 THR CA C 75 59.052 59.175 -0.123 1
1 1560 . 10 2 2 B 32 32 THR CB C 75 71.228 71.883 -0.655 1
1 1562 . 10 2 2 B 32 32 THR N N 75 109.507 111.262 -1.755 1
1 1563 . 10 2 2 B 33 33 LEU H H 76 8.841 8.952 -0.111 1
1 1564 . 10 2 2 B 33 33 LEU HA H 76 3.773 4.014 -0.241 1
1 1574 . 10 2 2 B 33 33 LEU C C 76 178.737 178.714 0.023 1
1 1575 . 10 2 2 B 33 33 LEU CA C 76 57.892 57.761 0.131 1
1 1576 . 10 2 2 B 33 33 LEU CB C 76 41.057 41.519 -0.462 1
1 1580 . 10 2 2 B 33 33 LEU N N 76 121.099 122.645 -1.546 1
1 1581 . 10 2 2 B 34 34 ASP H H 77 7.983 8.359 -0.376 1
1 1582 . 10 2 2 B 34 34 ASP HA H 77 4.431 4.382 0.049 1
1 1585 . 10 2 2 B 34 34 ASP C C 77 177.088 177.791 -0.703 1
1 1586 . 10 2 2 B 34 34 ASP CA C 77 55.837 57.503 -1.666 1
1 1587 . 10 2 2 B 34 34 ASP CB C 77 40.498 41.363 -0.865 1
1 1588 . 10 2 2 B 34 34 ASP N N 77 113.851 119.892 -6.041 1
1 1589 . 10 2 2 B 35 35 GLU H H 78 7.561 8.149 -0.588 1
1 1590 . 10 2 2 B 35 35 GLU HA H 78 4.320 4.262 0.058 1
1 1595 . 10 2 2 B 35 35 GLU C C 78 175.482 176.710 -1.228 1
1 1596 . 10 2 2 B 35 35 GLU CA C 78 55.918 57.307 -1.389 1
1 1597 . 10 2 2 B 35 35 GLU CB C 78 30.767 29.791 0.976 1
1 1599 . 10 2 2 B 35 35 GLU N N 78 117.508 115.723 1.785 1
1 15 . 11 1 1 A 5 5 ALA H H 2 8.098 8.798 -0.700 1
1 16 . 11 1 1 A 5 5 ALA HA H 2 4.389 4.097 0.292 1
1 20 . 11 1 1 A 5 5 ALA CA C 2 51.852 54.729 -2.877 1
1 21 . 11 1 1 A 5 5 ALA CB C 2 19.420 19.490 -0.070 1
1 22 . 11 1 1 A 5 5 ALA N N 2 125.572 127.434 -1.862 1
1 23 . 11 1 1 A 6 6 TYR H H 3 8.402 8.301 0.101 1
1 24 . 11 1 1 A 6 6 TYR HA H 3 4.236 4.512 -0.276 1
1 31 . 11 1 1 A 6 6 TYR CA C 3 57.802 56.966 0.836 1
1 32 . 11 1 1 A 6 6 TYR CB C 3 39.608 39.690 -0.082 1
1 35 . 11 1 1 A 6 6 TYR N N 3 120.730 114.488 6.242 1
1 36 . 11 1 1 A 7 7 PHE H H 4 8.958 8.739 0.219 1
1 37 . 11 1 1 A 7 7 PHE HA H 4 4.509 4.921 -0.412 1
1 45 . 11 1 1 A 7 7 PHE CA C 4 57.936 57.841 0.095 1
1 46 . 11 1 1 A 7 7 PHE CB C 4 40.613 40.106 0.507 1
1 50 . 11 1 1 A 7 7 PHE N N 4 118.436 122.118 -3.682 1
1 51 . 11 1 1 A 8 8 LEU H H 5 8.711 8.829 -0.118 1
1 52 . 11 1 1 A 8 8 LEU HA H 5 5.336 5.222 0.114 1
1 62 . 11 1 1 A 8 8 LEU CA C 5 53.391 53.824 -0.433 1
1 63 . 11 1 1 A 8 8 LEU CB C 5 44.716 46.955 -2.239 1
1 67 . 11 1 1 A 8 8 LEU N N 5 122.810 121.422 1.388 1
1 68 . 11 1 1 A 9 9 ASP H H 6 9.145 8.833 0.312 1
1 69 . 11 1 1 A 9 9 ASP HA H 6 5.999 5.456 0.543 1
1 72 . 11 1 1 A 9 9 ASP CA C 6 51.759 52.854 -1.095 1
1 73 . 11 1 1 A 9 9 ASP CB C 6 44.757 45.939 -1.182 1
1 74 . 11 1 1 A 9 9 ASP N N 6 124.570 124.257 0.313 1
1 75 . 11 1 1 A 10 10 PHE H H 7 9.884 9.157 0.727 1
1 76 . 11 1 1 A 10 10 PHE HA H 7 5.231 5.149 0.082 1
1 83 . 11 1 1 A 10 10 PHE CA C 7 55.321 56.724 -1.403 1
1 84 . 11 1 1 A 10 10 PHE CB C 7 42.863 43.339 -0.476 1
1 88 . 11 1 1 A 10 10 PHE N N 7 123.156 118.766 4.390 1
1 89 . 11 1 1 A 11 11 ASP H H 8 8.986 8.680 0.306 1
1 90 . 11 1 1 A 11 11 ASP HA H 8 4.924 4.869 0.055 1
1 93 . 11 1 1 A 11 11 ASP CA C 8 55.122 54.789 0.333 1
1 94 . 11 1 1 A 11 11 ASP CB C 8 44.453 42.830 1.623 1
1 95 . 11 1 1 A 11 11 ASP N N 8 123.103 124.334 -1.231 1
1 96 . 11 1 1 A 12 12 GLU H H 9 9.685 8.931 0.754 1
1 97 . 11 1 1 A 12 12 GLU HA H 9 3.984 4.047 -0.063 1
1 102 . 11 1 1 A 12 12 GLU CA C 9 60.974 59.468 1.506 1
1 103 . 11 1 1 A 12 12 GLU CB C 9 31.222 29.330 1.892 1
1 105 . 11 1 1 A 12 12 GLU N N 9 128.730 125.340 3.390 1
1 106 . 11 1 1 A 13 13 ARG H H 10 9.626 8.210 1.416 1
1 107 . 11 1 1 A 13 13 ARG HA H 10 4.063 4.001 0.062 1
1 114 . 11 1 1 A 13 13 ARG CA C 10 59.013 59.038 -0.025 1
1 115 . 11 1 1 A 13 13 ARG CB C 10 30.124 30.417 -0.293 1
1 118 . 11 1 1 A 13 13 ARG N N 10 117.930 120.037 -2.107 1
1 119 . 11 1 1 A 14 14 ALA H H 11 7.268 8.429 -1.161 1
1 120 . 11 1 1 A 14 14 ALA HA H 11 5.323 4.404 0.919 1
1 124 . 11 1 1 A 14 14 ALA CA C 11 53.013 55.093 -2.080 1
1 125 . 11 1 1 A 14 14 ALA CB C 11 18.072 18.634 -0.562 1
1 126 . 11 1 1 A 14 14 ALA N N 11 122.063 122.024 0.039 1
1 127 . 11 1 1 A 15 15 LEU H H 12 8.773 8.082 0.691 1
1 128 . 11 1 1 A 15 15 LEU HA H 12 4.318 2.805 1.513 1
1 138 . 11 1 1 A 15 15 LEU CA C 12 57.404 57.588 -0.184 1
1 139 . 11 1 1 A 15 15 LEU CB C 12 41.842 41.352 0.490 1
1 143 . 11 1 1 A 15 15 LEU N N 12 121.956 118.692 3.264 1
1 144 . 11 1 1 A 16 16 LYS H H 13 7.515 7.627 -0.112 1
1 145 . 11 1 1 A 16 16 LYS HA H 13 4.099 3.943 0.156 1
1 154 . 11 1 1 A 16 16 LYS CA C 13 59.837 58.656 1.181 1
1 155 . 11 1 1 A 16 16 LYS CB C 13 32.297 32.219 0.078 1
1 159 . 11 1 1 A 16 16 LYS N N 13 118.250 117.074 1.176 1
1 160 . 11 1 1 A 17 17 GLU H H 14 7.416 7.560 -0.144 1
1 161 . 11 1 1 A 17 17 GLU HA H 14 3.959 4.164 -0.205 1
1 166 . 11 1 1 A 17 17 GLU CA C 14 59.458 58.703 0.755 1
1 167 . 11 1 1 A 17 17 GLU CB C 14 29.644 29.459 0.185 1
1 169 . 11 1 1 A 17 17 GLU N N 14 118.330 117.809 0.521 1
1 170 . 11 1 1 A 18 18 TRP H H 15 9.095 7.489 1.606 1
1 171 . 11 1 1 A 18 18 TRP HA H 15 4.013 4.563 -0.550 1
1 178 . 11 1 1 A 18 18 TRP CA C 15 60.476 58.539 1.937 1
1 179 . 11 1 1 A 18 18 TRP CB C 15 29.644 28.665 0.979 1
1 182 . 11 1 1 A 18 18 TRP N N 15 121.770 119.797 1.973 1
1 183 . 11 1 1 A 19 19 ARG H H 16 8.060 7.261 0.799 1
1 184 . 11 1 1 A 19 19 ARG HA H 16 4.030 4.239 -0.209 1
1 191 . 11 1 1 A 19 19 ARG CA C 16 57.993 58.141 -0.148 1
1 192 . 11 1 1 A 19 19 ARG CB C 16 29.948 30.178 -0.230 1
1 195 . 11 1 1 A 19 19 ARG N N 16 113.396 121.309 -7.913 1
1 196 . 11 1 1 A 20 20 LYS H H 17 7.274 7.600 -0.326 1
1 197 . 11 1 1 A 20 20 LYS HA H 17 4.311 4.199 0.112 1
1 206 . 11 1 1 A 20 20 LYS CA C 17 57.183 58.228 -1.045 1
1 207 . 11 1 1 A 20 20 LYS CB C 17 32.106 32.038 0.068 1
1 211 . 11 1 1 A 20 20 LYS N N 17 116.232 115.437 0.795 1
1 212 . 11 1 1 A 21 21 LEU H H 18 7.359 7.302 0.057 1
1 213 . 11 1 1 A 21 21 LEU HA H 18 4.074 4.839 -0.765 1
1 223 . 11 1 1 A 21 21 LEU CA C 18 54.367 53.026 1.341 1
1 224 . 11 1 1 A 21 21 LEU CB C 18 43.185 44.461 -1.276 1
1 228 . 11 1 1 A 21 21 LEU N N 18 119.903 117.116 2.787 1
1 229 . 11 1 1 A 22 22 GLY H H 19 8.455 8.347 0.108 1
1 230 . 11 1 1 A 22 22 GLY HA2 H 19 4.103 4.067 0.036 1
1 231 . 11 1 1 A 22 22 GLY HA3 H 19 3.888 4.089 -0.201 1
1 232 . 11 1 1 A 22 22 GLY CA C 19 44.739 45.329 -0.590 1
1 233 . 11 1 1 A 22 22 GLY N N 19 108.063 107.243 0.820 1
1 234 . 11 1 1 A 23 23 SER H H 20 8.711 8.890 -0.179 1
1 235 . 11 1 1 A 23 23 SER HA H 20 4.422 4.136 0.286 1
1 238 . 11 1 1 A 23 23 SER CA C 20 58.325 61.116 -2.791 1
1 239 . 11 1 1 A 23 23 SER CB C 20 63.754 62.757 0.997 1
1 240 . 11 1 1 A 23 23 SER N N 20 117.509 117.813 -0.304 1
1 241 . 11 1 1 A 24 24 THR H H 21 8.273 7.963 0.310 1
1 242 . 11 1 1 A 24 24 THR HA H 21 4.026 3.961 0.065 1
1 247 . 11 1 1 A 24 24 THR CA C 21 65.605 66.498 -0.893 1
1 248 . 11 1 1 A 24 24 THR CB C 21 68.013 68.328 -0.315 1
1 250 . 11 1 1 A 24 24 THR N N 21 116.047 118.050 -2.003 1
1 251 . 11 1 1 A 25 25 VAL H H 22 7.075 7.604 -0.529 1
1 252 . 11 1 1 A 25 25 VAL HA H 22 3.507 3.433 0.074 1
1 260 . 11 1 1 A 25 25 VAL CA C 22 65.475 66.462 -0.987 1
1 261 . 11 1 1 A 25 25 VAL CB C 22 31.319 31.312 0.007 1
1 264 . 11 1 1 A 25 25 VAL N N 22 122.543 121.709 0.834 1
1 265 . 11 1 1 A 26 26 ARG H H 23 7.781 7.713 0.068 1
1 266 . 11 1 1 A 26 26 ARG HA H 23 3.116 4.023 -0.907 1
1 273 . 11 1 1 A 26 26 ARG CA C 23 60.215 58.105 2.110 1
1 274 . 11 1 1 A 26 26 ARG CB C 23 30.555 29.673 0.882 1
1 277 . 11 1 1 A 26 26 ARG N N 23 118.490 119.631 -1.141 1
1 278 . 11 1 1 A 27 27 GLU H H 24 8.107 8.225 -0.118 1
1 279 . 11 1 1 A 27 27 GLU HA H 24 4.031 4.084 -0.053 1
1 284 . 11 1 1 A 27 27 GLU CA C 24 59.421 59.008 0.413 1
1 285 . 11 1 1 A 27 27 GLU CB C 24 29.126 29.228 -0.102 1
1 287 . 11 1 1 A 27 27 GLU N N 24 116.756 118.826 -2.070 1
1 288 . 11 1 1 A 28 28 GLN H H 25 7.760 7.412 0.348 1
1 289 . 11 1 1 A 28 28 GLN HA H 25 4.097 4.004 0.093 1
1 296 . 11 1 1 A 28 28 GLN CA C 25 59.055 58.667 0.388 1
1 297 . 11 1 1 A 28 28 GLN CB C 25 29.925 28.062 1.863 1
1 299 . 11 1 1 A 28 28 GLN N N 25 118.410 119.539 -1.129 1
1 301 . 11 1 1 A 29 29 LEU H H 26 8.631 8.136 0.495 1
1 302 . 11 1 1 A 29 29 LEU HA H 26 4.145 3.979 0.166 1
1 312 . 11 1 1 A 29 29 LEU CA C 26 57.929 58.033 -0.104 1
1 313 . 11 1 1 A 29 29 LEU CB C 26 42.787 41.747 1.040 1
1 317 . 11 1 1 A 29 29 LEU N N 26 119.716 120.192 -0.476 1
1 318 . 11 1 1 A 30 30 LYS H H 27 9.183 8.019 1.164 1
1 319 . 11 1 1 A 30 30 LYS HA H 27 3.981 3.814 0.167 1
1 328 . 11 1 1 A 30 30 LYS CA C 27 61.364 60.190 1.174 1
1 329 . 11 1 1 A 30 30 LYS CB C 27 32.137 31.958 0.179 1
1 333 . 11 1 1 A 30 30 LYS N N 27 120.836 118.573 2.263 1
1 334 . 11 1 1 A 31 31 LYS H H 28 7.580 7.353 0.227 1
1 335 . 11 1 1 A 31 31 LYS HA H 28 4.050 4.054 -0.004 1
1 344 . 11 1 1 A 31 31 LYS CA C 28 59.586 59.570 0.016 1
1 345 . 11 1 1 A 31 31 LYS CB C 28 32.373 31.989 0.384 1
1 349 . 11 1 1 A 31 31 LYS N N 28 116.783 119.872 -3.089 1
1 350 . 11 1 1 A 32 32 LYS H H 29 7.300 7.474 -0.174 1
1 351 . 11 1 1 A 32 32 LYS HA H 29 4.090 4.107 -0.017 1
1 360 . 11 1 1 A 32 32 LYS CA C 29 57.130 58.952 -1.822 1
1 361 . 11 1 1 A 32 32 LYS N N 29 116.383 119.046 -2.663 1
1 362 . 11 1 1 A 33 33 LEU H H 30 8.722 7.977 0.745 1
1 363 . 11 1 1 A 33 33 LEU HA H 30 3.881 3.860 0.021 1
1 373 . 11 1 1 A 33 33 LEU CA C 30 57.634 57.743 -0.109 1
1 374 . 11 1 1 A 33 33 LEU CB C 30 42.116 41.461 0.655 1
1 378 . 11 1 1 A 33 33 LEU N N 30 121.770 120.423 1.347 1
1 379 . 11 1 1 A 34 34 VAL H H 31 8.067 8.094 -0.027 1
1 380 . 11 1 1 A 34 34 VAL HA H 31 3.479 3.723 -0.244 1
1 388 . 11 1 1 A 34 34 VAL CA C 31 66.847 65.004 1.843 1
1 389 . 11 1 1 A 34 34 VAL CB C 31 31.860 30.915 0.945 1
1 392 . 11 1 1 A 34 34 VAL N N 31 118.116 119.391 -1.275 1
1 393 . 11 1 1 A 35 35 GLU H H 32 6.825 8.137 -1.312 1
1 394 . 11 1 1 A 35 35 GLU HA H 32 4.090 4.032 0.058 1
1 399 . 11 1 1 A 35 35 GLU CA C 32 58.624 59.135 -0.511 1
1 400 . 11 1 1 A 35 35 GLU CB C 32 29.746 29.111 0.635 1
1 402 . 11 1 1 A 35 35 GLU N N 32 116.570 120.198 -3.628 1
1 403 . 11 1 1 A 36 36 VAL H H 33 7.785 7.179 0.606 1
1 404 . 11 1 1 A 36 36 VAL HA H 33 3.484 3.920 -0.436 1
1 412 . 11 1 1 A 36 36 VAL CA C 33 65.213 65.525 -0.312 1
1 413 . 11 1 1 A 36 36 VAL CB C 33 31.932 31.085 0.847 1
1 416 . 11 1 1 A 36 36 VAL N N 33 120.618 117.144 3.474 1
1 417 . 11 1 1 A 37 37 LEU H H 34 7.956 7.580 0.376 1
1 418 . 11 1 1 A 37 37 LEU HA H 34 3.747 3.994 -0.247 1
1 428 . 11 1 1 A 37 37 LEU CA C 34 57.069 57.223 -0.154 1
1 429 . 11 1 1 A 37 37 LEU CB C 34 40.916 41.313 -0.397 1
1 433 . 11 1 1 A 37 37 LEU N N 34 115.476 121.376 -5.900 1
1 434 . 11 1 1 A 38 38 GLU H H 35 7.042 7.471 -0.429 1
1 435 . 11 1 1 A 38 38 GLU HA H 35 4.395 4.394 0.001 1
1 440 . 11 1 1 A 38 38 GLU CA C 35 57.553 58.019 -0.466 1
1 441 . 11 1 1 A 38 38 GLU CB C 35 30.234 30.764 -0.530 1
1 443 . 11 1 1 A 38 38 GLU N N 35 114.356 116.774 -2.418 1
1 444 . 11 1 1 A 39 39 SER H H 36 7.125 7.550 -0.425 1
1 445 . 11 1 1 A 39 39 SER HA H 36 4.593 4.933 -0.340 1
1 448 . 11 1 1 A 39 39 SER CA C 36 55.308 55.382 -0.074 1
1 449 . 11 1 1 A 39 39 SER CB C 36 62.305 63.088 -0.783 1
1 450 . 11 1 1 A 39 39 SER N N 36 109.796 115.107 -5.311 1
1 451 . 11 1 1 A 40 40 PRO HA H 37 4.360 4.398 -0.038 1
1 458 . 11 1 1 A 40 40 PRO CA C 37 64.802 63.604 1.198 1
1 459 . 11 1 1 A 40 40 PRO CB C 37 32.562 32.666 -0.104 1
1 462 . 11 1 1 A 41 41 ARG H H 38 8.356 8.159 0.197 1
1 463 . 11 1 1 A 41 41 ARG HA H 38 3.271 4.428 -1.157 1
1 470 . 11 1 1 A 41 41 ARG CA C 38 56.364 55.123 1.241 1
1 471 . 11 1 1 A 41 41 ARG CB C 38 29.580 28.668 0.912 1
1 474 . 11 1 1 A 41 41 ARG N N 38 120.882 119.887 0.995 1
1 475 . 11 1 1 A 42 42 ILE H H 39 5.973 7.977 -2.004 1
1 476 . 11 1 1 A 42 42 ILE HA H 39 4.216 4.384 -0.168 1
1 486 . 11 1 1 A 42 42 ILE CA C 39 60.301 61.043 -0.742 1
1 487 . 11 1 1 A 42 42 ILE CB C 39 38.705 36.649 2.056 1
1 491 . 11 1 1 A 42 42 ILE N N 39 127.866 124.554 3.312 1
1 492 . 11 1 1 A 43 43 GLU H H 40 8.860 8.885 -0.025 1
1 493 . 11 1 1 A 43 43 GLU HA H 40 4.218 4.116 0.102 1
1 498 . 11 1 1 A 43 43 GLU CA C 40 59.945 58.990 0.955 1
1 499 . 11 1 1 A 43 43 GLU CB C 40 29.040 29.052 -0.012 1
1 501 . 11 1 1 A 43 43 GLU N N 40 129.498 126.070 3.428 1
1 502 . 11 1 1 A 44 44 ALA H H 41 8.827 7.709 1.118 1
1 503 . 11 1 1 A 44 44 ALA HA H 41 4.241 4.140 0.101 1
1 507 . 11 1 1 A 44 44 ALA CA C 41 54.035 53.893 0.142 1
1 508 . 11 1 1 A 44 44 ALA CB C 41 18.466 18.335 0.131 1
1 509 . 11 1 1 A 44 44 ALA N N 41 119.919 121.864 -1.945 1
1 510 . 11 1 1 A 45 45 ASN H H 42 8.184 8.262 -0.078 1
1 511 . 11 1 1 A 45 45 ASN HA H 42 5.082 4.753 0.329 1
1 516 . 11 1 1 A 45 45 ASN CA C 42 51.401 53.065 -1.664 1
1 517 . 11 1 1 A 45 45 ASN CB C 42 38.684 39.501 -0.817 1
1 518 . 11 1 1 A 45 45 ASN N N 42 114.675 114.704 -0.029 1
1 520 . 11 1 1 A 46 46 LYS H H 43 7.515 7.229 0.286 1
1 521 . 11 1 1 A 46 46 LYS HA H 43 3.741 3.865 -0.124 1
1 530 . 11 1 1 A 46 46 LYS CA C 43 57.354 56.395 0.959 1
1 531 . 11 1 1 A 46 46 LYS CB C 43 32.905 32.647 0.258 1
1 535 . 11 1 1 A 46 46 LYS N N 43 122.167 121.143 1.024 1
1 536 . 11 1 1 A 47 47 LEU H H 44 8.184 8.385 -0.201 1
1 537 . 11 1 1 A 47 47 LEU HA H 44 4.297 4.204 0.093 1
1 547 . 11 1 1 A 47 47 LEU CA C 44 53.422 54.783 -1.361 1
1 548 . 11 1 1 A 47 47 LEU CB C 44 42.208 42.232 -0.024 1
1 552 . 11 1 1 A 47 47 LEU N N 44 127.544 124.104 3.440 1
1 553 . 11 1 1 A 48 48 ARG H H 45 8.706 8.557 0.149 1
1 554 . 11 1 1 A 48 48 ARG HA H 45 3.918 4.105 -0.187 1
1 561 . 11 1 1 A 48 48 ARG CA C 45 57.765 57.471 0.294 1
1 562 . 11 1 1 A 48 48 ARG CB C 45 29.686 29.294 0.392 1
1 565 . 11 1 1 A 48 48 ARG N N 45 128.641 121.501 7.140 1
1 566 . 11 1 1 A 49 49 GLY H H 46 8.543 8.372 0.171 1
1 567 . 11 1 1 A 49 49 GLY HA2 H 46 4.129 3.958 0.171 1
1 568 . 11 1 1 A 49 49 GLY HA3 H 46 3.662 3.960 -0.298 1
1 569 . 11 1 1 A 49 49 GLY CA C 46 44.981 44.997 -0.016 1
1 570 . 11 1 1 A 49 49 GLY N N 46 110.474 112.750 -2.276 1
1 571 . 11 1 1 A 50 50 MET H H 47 7.404 7.869 -0.465 1
1 572 . 11 1 1 A 50 50 MET HA H 47 5.226 4.806 0.420 1
1 580 . 11 1 1 A 50 50 MET CA C 47 50.824 52.439 -1.615 1
1 581 . 11 1 1 A 50 50 MET CB C 47 33.186 32.794 0.392 1
1 584 . 11 1 1 A 50 50 MET N N 47 118.742 120.155 -1.413 1
1 585 . 11 1 1 A 51 51 PRO HA H 48 4.344 4.390 -0.046 1
1 592 . 11 1 1 A 51 51 PRO CA C 48 63.591 63.831 -0.240 1
1 593 . 11 1 1 A 51 51 PRO CB C 48 31.942 31.809 0.133 1
1 596 . 11 1 1 A 52 52 ASP H H 49 8.703 8.343 0.360 1
1 597 . 11 1 1 A 52 52 ASP HA H 49 4.392 4.624 -0.232 1
1 600 . 11 1 1 A 52 52 ASP CA C 49 56.244 54.013 2.231 1
1 601 . 11 1 1 A 52 52 ASP N N 49 116.361 115.646 0.715 1
1 602 . 11 1 1 A 53 53 CYS H H 50 7.456 7.279 0.177 1
1 603 . 11 1 1 A 53 53 CYS HA H 50 5.799 5.278 0.521 1
1 606 . 11 1 1 A 53 53 CYS CA C 50 58.147 57.737 0.410 1
1 607 . 11 1 1 A 53 53 CYS CB C 50 30.953 30.099 0.854 1
1 608 . 11 1 1 A 53 53 CYS N N 50 114.086 117.837 -3.751 1
1 609 . 11 1 1 A 54 54 TYR H H 51 8.939 8.766 0.173 1
1 610 . 11 1 1 A 54 54 TYR HA H 51 4.662 5.356 -0.694 1
1 617 . 11 1 1 A 54 54 TYR CA C 51 56.444 56.358 0.086 1
1 618 . 11 1 1 A 54 54 TYR CB C 51 43.000 42.750 0.250 1
1 620 . 11 1 1 A 54 54 TYR N N 51 120.722 120.691 0.031 1
1 621 . 11 1 1 A 55 55 LYS H H 52 8.665 8.598 0.067 1
1 622 . 11 1 1 A 55 55 LYS HA H 52 5.456 5.317 0.139 1
1 631 . 11 1 1 A 55 55 LYS CA C 52 53.968 54.502 -0.534 1
1 632 . 11 1 1 A 55 55 LYS CB C 52 36.126 36.436 -0.310 1
1 636 . 11 1 1 A 55 55 LYS N N 52 117.297 117.473 -0.176 1
1 637 . 11 1 1 A 56 56 ILE H H 53 9.272 8.901 0.371 1
1 638 . 11 1 1 A 56 56 ILE HA H 53 4.428 5.037 -0.609 1
1 648 . 11 1 1 A 56 56 ILE CA C 53 60.803 59.342 1.461 1
1 649 . 11 1 1 A 56 56 ILE CB C 53 40.849 41.455 -0.606 1
1 653 . 11 1 1 A 56 56 ILE N N 53 122.006 122.188 -0.182 1
1 654 . 11 1 1 A 57 57 LYS H H 54 8.745 8.980 -0.235 1
1 655 . 11 1 1 A 57 57 LYS HA H 54 5.093 5.327 -0.234 1
1 664 . 11 1 1 A 57 57 LYS CA C 54 54.227 54.299 -0.072 1
1 665 . 11 1 1 A 57 57 LYS CB C 54 35.595 36.165 -0.570 1
1 669 . 11 1 1 A 57 57 LYS N N 54 125.752 124.968 0.784 1
1 670 . 11 1 1 A 58 58 LEU H H 55 8.543 9.062 -0.519 1
1 671 . 11 1 1 A 58 58 LEU HA H 55 4.788 4.563 0.225 1
1 681 . 11 1 1 A 58 58 LEU CA C 55 53.151 54.604 -1.453 1
1 682 . 11 1 1 A 58 58 LEU CB C 55 41.238 41.523 -0.285 1
1 686 . 11 1 1 A 58 58 LEU N N 55 124.173 124.079 0.094 1
1 687 . 11 1 1 A 59 59 ARG HA H 56 4.039 4.066 -0.027 1
1 694 . 11 1 1 A 59 59 ARG CA C 56 59.531 59.320 0.211 1
1 695 . 11 1 1 A 59 59 ARG CB C 56 32.180 30.175 2.005 1
1 698 . 11 1 1 A 60 60 SER HA H 57 4.335 4.706 -0.371 1
1 701 . 11 1 1 A 60 60 SER CA C 57 60.035 57.381 2.654 1
1 702 . 11 1 1 A 60 60 SER CB C 57 62.551 63.948 -1.397 1
1 703 . 11 1 1 A 61 61 SER H H 58 7.605 7.826 -0.221 1
1 704 . 11 1 1 A 61 61 SER HA H 58 4.604 4.766 -0.162 1
1 707 . 11 1 1 A 61 61 SER CA C 58 58.122 58.824 -0.702 1
1 708 . 11 1 1 A 61 61 SER CB C 58 64.520 66.294 -1.774 1
1 709 . 11 1 1 A 61 61 SER N N 58 112.447 116.190 -3.743 1
1 710 . 11 1 1 A 62 62 GLY H H 59 8.214 8.335 -0.121 1
1 711 . 11 1 1 A 62 62 GLY HA2 H 59 4.091 3.954 0.137 1
1 712 . 11 1 1 A 62 62 GLY HA3 H 59 3.824 3.986 -0.162 1
1 713 . 11 1 1 A 62 62 GLY CA C 59 45.562 45.754 -0.192 1
1 714 . 11 1 1 A 62 62 GLY N N 59 108.976 111.207 -2.231 1
1 715 . 11 1 1 A 63 63 TYR H H 60 7.283 8.133 -0.850 1
1 716 . 11 1 1 A 63 63 TYR HA H 60 4.619 4.639 -0.020 1
1 723 . 11 1 1 A 63 63 TYR CA C 60 60.412 58.224 2.188 1
1 724 . 11 1 1 A 63 63 TYR CB C 60 40.339 39.445 0.894 1
1 727 . 11 1 1 A 63 63 TYR N N 60 117.859 120.240 -2.381 1
1 728 . 11 1 1 A 64 64 ARG H H 61 9.296 9.336 -0.040 1
1 729 . 11 1 1 A 64 64 ARG HA H 61 5.634 5.515 0.119 1
1 736 . 11 1 1 A 64 64 ARG CA C 61 54.114 54.580 -0.466 1
1 737 . 11 1 1 A 64 64 ARG CB C 61 33.245 34.448 -1.203 1
1 740 . 11 1 1 A 64 64 ARG N N 61 117.912 119.396 -1.484 1
1 741 . 11 1 1 A 65 65 LEU H H 62 9.077 8.935 0.142 1
1 742 . 11 1 1 A 65 65 LEU HA H 62 5.459 5.294 0.165 1
1 752 . 11 1 1 A 65 65 LEU CA C 62 54.114 54.319 -0.205 1
1 753 . 11 1 1 A 65 65 LEU CB C 62 46.977 45.923 1.054 1
1 757 . 11 1 1 A 65 65 LEU N N 62 123.590 122.377 1.213 1
1 758 . 11 1 1 A 66 66 VAL H H 63 8.729 8.946 -0.217 1
1 759 . 11 1 1 A 66 66 VAL HA H 63 5.206 4.993 0.213 1
1 767 . 11 1 1 A 66 66 VAL CA C 63 60.112 61.074 -0.962 1
1 768 . 11 1 1 A 66 66 VAL CB C 63 34.296 32.955 1.341 1
1 771 . 11 1 1 A 66 66 VAL N N 63 123.237 126.200 -2.963 1
1 772 . 11 1 1 A 67 67 TYR H H 64 8.976 9.007 -0.031 1
1 773 . 11 1 1 A 67 67 TYR HA H 64 5.745 5.379 0.366 1
1 780 . 11 1 1 A 67 67 TYR CA C 64 53.968 55.342 -1.374 1
1 781 . 11 1 1 A 67 67 TYR CB C 64 42.534 41.887 0.647 1
1 784 . 11 1 1 A 67 67 TYR N N 64 124.227 123.761 0.466 1
1 785 . 11 1 1 A 68 68 GLN H H 65 9.696 8.715 0.981 1
1 786 . 11 1 1 A 68 68 GLN HA H 65 5.640 5.310 0.330 1
1 793 . 11 1 1 A 68 68 GLN CA C 65 52.933 54.418 -1.485 1
1 794 . 11 1 1 A 68 68 GLN CB C 65 33.585 32.608 0.977 1
1 796 . 11 1 1 A 68 68 GLN N N 65 122.541 120.182 2.359 1
1 798 . 11 1 1 A 69 69 VAL H H 66 9.050 9.461 -0.411 1
1 799 . 11 1 1 A 69 69 VAL HA H 66 4.513 4.636 -0.123 1
1 807 . 11 1 1 A 69 69 VAL CA C 66 62.534 61.905 0.629 1
1 808 . 11 1 1 A 69 69 VAL CB C 66 33.052 31.813 1.239 1
1 811 . 11 1 1 A 69 69 VAL N N 66 127.437 126.590 0.847 1
1 812 . 11 1 1 A 70 70 ILE H H 67 9.385 8.949 0.436 1
1 813 . 11 1 1 A 70 70 ILE HA H 67 4.475 4.408 0.067 1
1 823 . 11 1 1 A 70 70 ILE CA C 67 59.863 60.924 -1.061 1
1 824 . 11 1 1 A 70 70 ILE CB C 67 37.487 37.699 -0.212 1
1 828 . 11 1 1 A 70 70 ILE N N 67 129.296 128.326 0.970 1
1 829 . 11 1 1 A 71 71 ASP H H 68 9.343 9.110 0.233 1
1 830 . 11 1 1 A 71 71 ASP HA H 68 4.595 4.575 0.020 1
1 833 . 11 1 1 A 71 71 ASP CA C 68 58.841 56.730 2.111 1
1 834 . 11 1 1 A 71 71 ASP CB C 68 40.637 41.007 -0.370 1
1 835 . 11 1 1 A 71 71 ASP N N 68 128.749 127.294 1.455 1
1 836 . 11 1 1 A 72 72 GLU H H 69 9.718 8.576 1.142 1
1 837 . 11 1 1 A 72 72 GLU HA H 69 4.124 4.091 0.033 1
1 842 . 11 1 1 A 72 72 GLU CA C 69 59.335 59.347 -0.012 1
1 843 . 11 1 1 A 72 72 GLU CB C 69 29.131 29.156 -0.025 1
1 845 . 11 1 1 A 72 72 GLU N N 69 118.929 118.323 0.606 1
1 846 . 11 1 1 A 73 73 LYS H H 70 6.653 7.739 -1.086 1
1 847 . 11 1 1 A 73 73 LYS HA H 70 4.517 4.334 0.183 1
1 856 . 11 1 1 A 73 73 LYS CA C 70 54.587 56.441 -1.854 1
1 857 . 11 1 1 A 73 73 LYS CB C 70 33.843 33.026 0.817 1
1 861 . 11 1 1 A 73 73 LYS N N 70 114.113 117.730 -3.617 1
1 862 . 11 1 1 A 74 74 VAL H H 71 7.832 7.653 0.179 1
1 863 . 11 1 1 A 74 74 VAL HA H 71 3.012 3.673 -0.661 1
1 871 . 11 1 1 A 74 74 VAL CA C 71 63.090 63.310 -0.220 1
1 872 . 11 1 1 A 74 74 VAL CB C 71 29.226 28.995 0.231 1
1 875 . 11 1 1 A 74 74 VAL N N 71 119.223 116.494 2.729 1
1 876 . 11 1 1 A 75 75 VAL H H 72 7.732 7.657 0.075 1
1 877 . 11 1 1 A 75 75 VAL HA H 72 4.950 5.245 -0.295 1
1 885 . 11 1 1 A 75 75 VAL CA C 72 60.455 58.958 1.497 1
1 886 . 11 1 1 A 75 75 VAL CB C 72 37.925 36.193 1.732 1
1 889 . 11 1 1 A 75 75 VAL N N 72 117.190 116.156 1.034 1
1 890 . 11 1 1 A 76 76 VAL H H 73 9.026 8.809 0.217 1
1 891 . 11 1 1 A 76 76 VAL HA H 73 4.349 4.591 -0.242 1
1 899 . 11 1 1 A 76 76 VAL CA C 73 62.527 61.834 0.693 1
1 900 . 11 1 1 A 76 76 VAL CB C 73 32.882 31.271 1.611 1
1 903 . 11 1 1 A 76 76 VAL N N 73 128.347 123.555 4.792 1
1 904 . 11 1 1 A 77 77 PHE H H 74 9.629 9.213 0.416 1
1 905 . 11 1 1 A 77 77 PHE HA H 74 5.898 4.814 1.084 1
1 913 . 11 1 1 A 77 77 PHE CA C 74 51.863 56.131 -4.268 1
1 914 . 11 1 1 A 77 77 PHE CB C 74 40.214 39.502 0.712 1
1 918 . 11 1 1 A 77 77 PHE N N 74 128.802 129.293 -0.491 1
1 919 . 11 1 1 A 78 78 VAL H H 75 9.535 8.704 0.831 1
1 920 . 11 1 1 A 78 78 VAL HA H 75 3.712 3.868 -0.156 1
1 928 . 11 1 1 A 78 78 VAL CA C 75 63.939 63.646 0.293 1
1 929 . 11 1 1 A 78 78 VAL CB C 75 31.079 31.161 -0.082 1
1 932 . 11 1 1 A 78 78 VAL N N 75 128.588 127.566 1.022 1
1 933 . 11 1 1 A 79 79 ILE H H 76 8.515 8.857 -0.342 1
1 934 . 11 1 1 A 79 79 ILE HA H 76 3.443 3.758 -0.315 1
1 944 . 11 1 1 A 79 79 ILE CA C 76 61.950 62.477 -0.527 1
1 945 . 11 1 1 A 79 79 ILE CB C 76 40.800 38.337 2.463 1
1 949 . 11 1 1 A 79 79 ILE N N 76 126.287 128.976 -2.689 1
1 950 . 11 1 1 A 80 80 SER H H 77 7.180 7.244 -0.064 1
1 951 . 11 1 1 A 80 80 SER HA H 77 4.506 5.143 -0.637 1
1 954 . 11 1 1 A 80 80 SER CA C 77 57.464 57.478 -0.014 1
1 955 . 11 1 1 A 80 80 SER CB C 77 64.912 65.304 -0.392 1
1 956 . 11 1 1 A 80 80 SER N N 77 111.625 112.733 -1.108 1
1 957 . 11 1 1 A 81 81 VAL H H 78 8.641 8.728 -0.087 1
1 958 . 11 1 1 A 81 81 VAL HA H 78 5.066 5.117 -0.051 1
1 966 . 11 1 1 A 81 81 VAL CA C 78 60.913 60.765 0.148 1
1 967 . 11 1 1 A 81 81 VAL CB C 78 35.010 34.888 0.122 1
1 970 . 11 1 1 A 81 81 VAL N N 78 126.742 123.094 3.648 1
1 971 . 11 1 1 A 82 82 GLY H H 79 8.658 8.497 0.161 1
1 972 . 11 1 1 A 82 82 GLY HA2 H 79 4.370 4.315 0.055 1
1 973 . 11 1 1 A 82 82 GLY HA3 H 79 4.160 4.537 -0.377 1
1 974 . 11 1 1 A 82 82 GLY CA C 79 46.036 45.543 0.493 1
1 975 . 11 1 1 A 82 82 GLY N N 79 111.223 112.410 -1.187 1
1 976 . 11 1 1 A 83 83 LYS H H 80 8.569 8.300 0.269 1
1 977 . 11 1 1 A 83 83 LYS HA H 80 4.369 4.271 0.098 1
1 986 . 11 1 1 A 83 83 LYS CA C 80 54.855 54.984 -0.129 1
1 987 . 11 1 1 A 83 83 LYS CB C 80 34.866 33.696 1.170 1
1 991 . 11 1 1 A 83 83 LYS N N 80 121.257 120.038 1.219 1
1 992 . 11 1 1 A 84 84 ALA H H 81 8.334 8.660 -0.326 1
1 993 . 11 1 1 A 84 84 ALA HA H 81 4.274 5.307 -1.033 1
1 997 . 11 1 1 A 84 84 ALA CA C 81 52.003 50.495 1.508 1
1 998 . 11 1 1 A 84 84 ALA CB C 81 19.185 20.947 -1.762 1
1 999 . 11 1 1 A 84 84 ALA N N 81 126.662 123.936 2.726 1
1 1000 . 11 1 1 A 85 85 GLU H H 82 8.638 8.816 -0.178 1
1 1001 . 11 1 1 A 85 85 GLU HA H 82 4.214 4.908 -0.694 1
1 1006 . 11 1 1 A 85 85 GLU CA C 82 56.366 54.282 2.084 1
1 1007 . 11 1 1 A 85 85 GLU CB C 82 30.238 32.415 -2.177 1
1 1009 . 11 1 1 A 85 85 GLU N N 82 121.819 120.163 1.656 1
1 1010 . 11 1 1 A 86 86 ALA H H 83 8.462 8.164 0.298 1
1 1011 . 11 1 1 A 86 86 ALA HA H 83 4.341 4.484 -0.143 1
1 1015 . 11 1 1 A 86 86 ALA CA C 83 52.156 52.116 0.040 1
1 1016 . 11 1 1 A 86 86 ALA CB C 83 19.206 20.914 -1.708 1
1 1017 . 11 1 1 A 86 86 ALA N N 83 125.350 122.411 2.939 1
1 1018 . 11 1 1 A 87 87 SER H H 84 8.309 8.093 0.216 1
1 1019 . 11 1 1 A 87 87 SER HA H 84 4.400 4.126 0.274 1
1 1022 . 11 1 1 A 87 87 SER CA C 84 58.058 62.044 -3.986 1
1 1023 . 11 1 1 A 87 87 SER CB C 84 63.845 62.870 0.975 1
1 1024 . 11 1 1 A 87 87 SER N N 84 115.397 115.201 0.196 1
1 1025 . 11 1 1 A 88 88 GLU H H 85 8.443 8.401 0.042 1
1 1026 . 11 1 1 A 88 88 GLU HA H 85 4.318 4.451 -0.133 1
1 1031 . 11 1 1 A 88 88 GLU CA C 85 56.465 58.038 -1.573 1
1 1032 . 11 1 1 A 88 88 GLU CB C 85 30.464 29.524 0.940 1
1 1034 . 11 1 1 A 88 88 GLU N N 85 122.947 121.019 1.928 1
1 1035 . 11 1 1 A 89 89 VAL H H 86 8.098 7.947 0.151 1
1 1036 . 11 1 1 A 89 89 VAL HA H 86 4.044 3.880 0.164 1
1 1044 . 11 1 1 A 89 89 VAL CA C 86 62.293 64.662 -2.369 1
1 1045 . 11 1 1 A 89 89 VAL CB C 86 32.703 31.765 0.938 1
1 1048 . 11 1 1 A 89 89 VAL N N 86 120.884 118.758 2.126 1
1 1049 . 11 1 1 A 90 90 TYR H H 87 8.313 8.059 0.254 1
1 1050 . 11 1 1 A 90 90 TYR HA H 87 4.623 4.159 0.464 1
1 1057 . 11 1 1 A 90 90 TYR CA C 87 57.791 60.770 -2.979 1
1 1058 . 11 1 1 A 90 90 TYR CB C 87 38.795 38.872 -0.077 1
1 1061 . 11 1 1 A 90 90 TYR N N 87 124.634 122.742 1.892 1
1 1062 . 11 1 1 A 91 91 SER H H 88 8.140 8.322 -0.182 1
1 1063 . 11 1 1 A 91 91 SER HA H 88 4.411 5.024 -0.613 1
1 1066 . 11 1 1 A 91 91 SER CA C 88 58.396 61.576 -3.180 1
1 1067 . 11 1 1 A 91 91 SER CB C 88 63.703 63.228 0.475 1
1 1068 . 11 1 1 A 91 91 SER N N 88 118.447 116.124 2.323 1
1 1069 . 11 1 1 A 92 92 GLU H H 89 8.400 8.668 -0.268 1
1 1070 . 11 1 1 A 92 92 GLU HA H 89 4.245 4.130 0.115 1
1 1075 . 11 1 1 A 92 92 GLU CA C 89 56.465 58.444 -1.979 1
1 1076 . 11 1 1 A 92 92 GLU CB C 89 29.471 28.144 1.327 1
1 1078 . 11 1 1 A 92 92 GLU N N 89 122.947 119.673 3.274 1
1 1079 . 11 1 1 A 93 93 ALA H H 90 8.224 7.410 0.814 1
1 1080 . 11 1 1 A 93 93 ALA HA H 90 4.287 4.250 0.037 1
1 1084 . 11 1 1 A 93 93 ALA CA C 90 52.598 53.902 -1.304 1
1 1085 . 11 1 1 A 93 93 ALA CB C 90 18.864 19.142 -0.278 1
1 1086 . 11 1 1 A 93 93 ALA N N 90 124.404 121.665 2.739 1
1 1087 . 11 1 1 A 94 94 VAL H H 91 7.971 7.354 0.617 1
1 1088 . 11 1 1 A 94 94 VAL HA H 91 4.060 4.383 -0.323 1
1 1096 . 11 1 1 A 94 94 VAL CA C 91 62.072 59.032 3.040 1
1 1097 . 11 1 1 A 94 94 VAL CB C 91 32.601 35.344 -2.743 1
1 1100 . 11 1 1 A 94 94 VAL N N 91 119.330 112.187 7.143 1
1 1101 . 11 1 1 A 95 95 LYS H H 92 8.271 8.626 -0.355 1
1 1102 . 11 1 1 A 95 95 LYS HA H 92 4.313 4.561 -0.248 1
1 1111 . 11 1 1 A 95 95 LYS CA C 92 56.078 57.409 -1.331 1
1 1112 . 11 1 1 A 95 95 LYS CB C 92 32.924 33.055 -0.131 1
1 1116 . 11 1 1 A 95 95 LYS N N 92 124.941 120.630 4.311 1
1 1117 . 11 1 1 A 96 96 ARG H H 93 8.317 7.822 0.495 1
1 1118 . 11 1 1 A 96 96 ARG HA H 93 4.360 4.566 -0.206 1
1 1125 . 11 1 1 A 96 96 ARG CA C 93 55.901 55.507 0.394 1
1 1126 . 11 1 1 A 96 96 ARG CB C 93 30.906 30.996 -0.090 1
1 1129 . 11 1 1 A 96 96 ARG N N 93 122.918 117.532 5.386 1
1 1130 . 11 1 1 A 97 97 ILE H H 94 8.251 7.391 0.860 1
1 1131 . 11 1 1 A 97 97 ILE HA H 94 4.184 4.205 -0.021 1
1 1141 . 11 1 1 A 97 97 ILE CA C 94 60.946 61.045 -0.099 1
1 1142 . 11 1 1 A 97 97 ILE CB C 94 38.298 36.578 1.720 1
1 1146 . 11 1 1 A 97 97 ILE N N 94 123.301 122.477 0.824 1
1 1191 . 11 2 2 B 5 5 GLN H H 48 8.533 7.751 0.782 1
1 1192 . 11 2 2 B 5 5 GLN HA H 48 4.390 4.296 0.094 1
1 1199 . 11 2 2 B 5 5 GLN C C 48 175.953 175.606 0.347 1
1 1200 . 11 2 2 B 5 5 GLN CA C 48 55.760 55.896 -0.136 1
1 1201 . 11 2 2 B 5 5 GLN CB C 48 29.225 29.349 -0.124 1
1 1203 . 11 2 2 B 5 5 GLN N N 48 122.121 119.148 2.973 1
1 1205 . 11 2 2 B 6 6 THR H H 49 8.281 8.721 -0.440 1
1 1206 . 11 2 2 B 6 6 THR HA H 49 4.316 4.688 -0.372 1
1 1211 . 11 2 2 B 6 6 THR C C 49 174.156 175.467 -1.311 1
1 1212 . 11 2 2 B 6 6 THR CA C 49 61.724 60.859 0.865 1
1 1213 . 11 2 2 B 6 6 THR CB C 49 69.452 71.343 -1.891 1
1 1215 . 11 2 2 B 6 6 THR N N 49 116.639 116.893 -0.254 1
1 1216 . 11 2 2 B 7 7 LEU H H 50 8.328 8.582 -0.254 1
1 1217 . 11 2 2 B 7 7 LEU HA H 50 4.381 4.541 -0.160 1
1 1227 . 11 2 2 B 7 7 LEU C C 50 176.985 175.770 1.215 1
1 1228 . 11 2 2 B 7 7 LEU CA C 50 55.093 54.543 0.550 1
1 1229 . 11 2 2 B 7 7 LEU CB C 50 42.122 41.918 0.204 1
1 1233 . 11 2 2 B 7 7 LEU N N 50 125.001 119.836 5.165 1
1 1234 . 11 2 2 B 8 8 LEU H H 51 8.264 7.692 0.572 1
1 1235 . 11 2 2 B 8 8 LEU HA H 51 4.410 4.988 -0.578 1
1 1245 . 11 2 2 B 8 8 LEU C C 51 177.235 175.610 1.625 1
1 1246 . 11 2 2 B 8 8 LEU CA C 51 54.936 53.231 1.705 1
1 1247 . 11 2 2 B 8 8 LEU CB C 51 42.292 45.905 -3.613 1
1 1251 . 11 2 2 B 8 8 LEU N N 51 123.073 117.070 6.003 1
1 1252 . 11 2 2 B 9 9 SER H H 52 8.499 9.210 -0.711 1
1 1253 . 11 2 2 B 9 9 SER HA H 52 4.410 4.799 -0.389 1
1 1256 . 11 2 2 B 9 9 SER C C 52 174.083 173.139 0.944 1
1 1257 . 11 2 2 B 9 9 SER CA C 52 57.757 56.030 1.727 1
1 1258 . 11 2 2 B 9 9 SER CB C 52 63.734 65.492 -1.758 1
1 1259 . 11 2 2 B 9 9 SER N N 52 117.150 114.940 2.210 1
1 1260 . 11 2 2 B 10 10 ASP H H 53 8.416 8.893 -0.477 1
1 1261 . 11 2 2 B 10 10 ASP HA H 53 4.575 4.366 0.209 1
1 1264 . 11 2 2 B 10 10 ASP C C 53 176.911 178.352 -1.441 1
1 1265 . 11 2 2 B 10 10 ASP CA C 53 54.678 57.422 -2.744 1
1 1266 . 11 2 2 B 10 10 ASP CB C 53 40.771 40.298 0.473 1
1 1267 . 11 2 2 B 10 10 ASP N N 53 122.632 123.883 -1.251 1
1 1268 . 11 2 2 B 11 11 GLU H H 54 8.486 8.527 -0.041 1
1 1269 . 11 2 2 B 11 11 GLU HA H 54 4.155 4.030 0.125 1
1 1274 . 11 2 2 B 11 11 GLU C C 54 177.220 178.490 -1.270 1
1 1275 . 11 2 2 B 11 11 GLU CA C 54 58.488 59.417 -0.929 1
1 1276 . 11 2 2 B 11 11 GLU CB C 54 29.615 29.176 0.439 1
1 1278 . 11 2 2 B 11 11 GLU N N 54 121.842 118.042 3.800 1
1 1279 . 11 2 2 B 12 12 ASP H H 55 8.301 7.883 0.418 1
1 1280 . 11 2 2 B 12 12 ASP HA H 55 4.470 4.318 0.152 1
1 1283 . 11 2 2 B 12 12 ASP C C 55 177.161 178.240 -1.079 1
1 1284 . 11 2 2 B 12 12 ASP CA C 55 55.901 57.245 -1.344 1
1 1285 . 11 2 2 B 12 12 ASP CB C 55 40.503 40.293 0.210 1
1 1286 . 11 2 2 B 12 12 ASP N N 55 120.309 120.514 -0.205 1
1 1287 . 11 2 2 B 13 13 ALA H H 56 8.114 7.568 0.546 1
1 1288 . 11 2 2 B 13 13 ALA HA H 56 3.986 4.102 -0.116 1
1 1292 . 11 2 2 B 13 13 ALA C C 56 180.446 179.527 0.919 1
1 1293 . 11 2 2 B 13 13 ALA CA C 56 55.422 54.824 0.598 1
1 1294 . 11 2 2 B 13 13 ALA CB C 56 18.001 18.175 -0.174 1
1 1295 . 11 2 2 B 13 13 ALA N N 56 122.864 122.695 0.169 1
1 1296 . 11 2 2 B 14 14 GLU H H 57 8.105 7.847 0.258 1
1 1297 . 11 2 2 B 14 14 GLU HA H 57 4.010 4.072 -0.062 1
1 1302 . 11 2 2 B 14 14 GLU C C 57 178.914 179.121 -0.207 1
1 1303 . 11 2 2 B 14 14 GLU CA C 57 59.175 59.054 0.121 1
1 1304 . 11 2 2 B 14 14 GLU CB C 57 28.904 29.464 -0.560 1
1 1306 . 11 2 2 B 14 14 GLU N N 57 117.931 118.750 -0.819 1
1 1307 . 11 2 2 B 15 15 LEU H H 58 7.813 8.239 -0.426 1
1 1308 . 11 2 2 B 15 15 LEU HA H 58 4.062 4.028 0.034 1
1 1318 . 11 2 2 B 15 15 LEU C C 58 178.634 179.462 -0.828 1
1 1319 . 11 2 2 B 15 15 LEU CA C 58 56.960 57.965 -1.005 1
1 1320 . 11 2 2 B 15 15 LEU CB C 58 41.973 41.769 0.204 1
1 1324 . 11 2 2 B 15 15 LEU N N 58 119.867 120.207 -0.340 1
1 1325 . 11 2 2 B 16 16 VAL H H 59 8.491 7.798 0.693 1
1 1326 . 11 2 2 B 16 16 VAL HA H 59 3.365 3.901 -0.536 1
1 1334 . 11 2 2 B 16 16 VAL C C 59 177.147 177.631 -0.484 1
1 1335 . 11 2 2 B 16 16 VAL CA C 59 67.142 65.564 1.578 1
1 1336 . 11 2 2 B 16 16 VAL CB C 59 31.176 31.420 -0.244 1
1 1339 . 11 2 2 B 16 16 VAL N N 59 118.357 114.632 3.725 1
1 1340 . 11 2 2 B 17 17 GLU H H 60 7.411 7.863 -0.452 1
1 1341 . 11 2 2 B 17 17 GLU HA H 60 4.015 4.108 -0.093 1
1 1346 . 11 2 2 B 17 17 GLU C C 60 179.636 178.697 0.939 1
1 1347 . 11 2 2 B 17 17 GLU CA C 60 59.203 59.044 0.159 1
1 1348 . 11 2 2 B 17 17 GLU CB C 60 28.970 29.295 -0.325 1
1 1350 . 11 2 2 B 17 17 GLU N N 60 117.103 120.569 -3.466 1
1 1351 . 11 2 2 B 18 18 ILE H H 61 7.574 7.891 -0.317 1
1 1352 . 11 2 2 B 18 18 ILE HA H 61 3.830 3.721 0.109 1
1 1362 . 11 2 2 B 18 18 ILE C C 61 178.001 178.463 -0.462 1
1 1363 . 11 2 2 B 18 18 ILE CA C 61 63.982 65.102 -1.120 1
1 1364 . 11 2 2 B 18 18 ILE CB C 61 38.483 37.660 0.823 1
1 1368 . 11 2 2 B 18 18 ILE N N 61 120.727 121.414 -0.687 1
1 1369 . 11 2 2 B 19 19 VAL H H 62 8.294 8.030 0.264 1
1 1370 . 11 2 2 B 19 19 VAL HA H 62 3.360 3.810 -0.450 1
1 1378 . 11 2 2 B 19 19 VAL C C 62 177.338 177.888 -0.550 1
1 1379 . 11 2 2 B 19 19 VAL CA C 62 66.364 65.375 0.989 1
1 1380 . 11 2 2 B 19 19 VAL CB C 62 31.203 31.450 -0.247 1
1 1383 . 11 2 2 B 19 19 VAL N N 62 119.635 121.420 -1.785 1
1 1384 . 11 2 2 B 20 20 LYS H H 63 8.780 8.072 0.708 1
1 1385 . 11 2 2 B 20 20 LYS HA H 63 3.784 3.992 -0.208 1
1 1394 . 11 2 2 B 20 20 LYS C C 63 179.209 178.755 0.454 1
1 1395 . 11 2 2 B 20 20 LYS CA C 63 60.096 58.859 1.237 1
1 1396 . 11 2 2 B 20 20 LYS CB C 63 32.673 31.875 0.798 1
1 1400 . 11 2 2 B 20 20 LYS N N 63 118.009 120.384 -2.375 1
1 1401 . 11 2 2 B 21 21 GLU H H 64 7.567 7.982 -0.415 1
1 1402 . 11 2 2 B 21 21 GLU HA H 64 4.084 4.064 0.020 1
1 1407 . 11 2 2 B 21 21 GLU C C 64 179.592 179.780 -0.188 1
1 1408 . 11 2 2 B 21 21 GLU CA C 64 58.728 59.178 -0.450 1
1 1409 . 11 2 2 B 21 21 GLU CB C 64 28.974 29.279 -0.305 1
1 1411 . 11 2 2 B 21 21 GLU N N 64 117.452 119.675 -2.223 1
1 1412 . 11 2 2 B 22 22 ARG H H 65 8.156 8.062 0.094 1
1 1413 . 11 2 2 B 22 22 ARG HA H 65 4.053 4.111 -0.058 1
1 1420 . 11 2 2 B 22 22 ARG C C 65 177.986 179.258 -1.272 1
1 1421 . 11 2 2 B 22 22 ARG CA C 65 61.243 58.366 2.877 1
1 1422 . 11 2 2 B 22 22 ARG CB C 65 29.980 30.300 -0.320 1
1 1425 . 11 2 2 B 22 22 ARG N N 65 119.635 119.343 0.292 1
1 1426 . 11 2 2 B 23 23 LEU H H 66 8.436 8.111 0.325 1
1 1427 . 11 2 2 B 23 23 LEU HA H 66 4.106 4.143 -0.037 1
1 1437 . 11 2 2 B 23 23 LEU C C 66 178.620 178.479 0.141 1
1 1438 . 11 2 2 B 23 23 LEU CA C 66 56.667 57.334 -0.667 1
1 1439 . 11 2 2 B 23 23 LEU CB C 66 41.465 41.127 0.338 1
1 1443 . 11 2 2 B 23 23 LEU N N 66 115.686 122.077 -6.391 1
1 1444 . 11 2 2 B 24 24 ARG H H 67 7.404 8.370 -0.966 1
1 1445 . 11 2 2 B 24 24 ARG HA H 67 4.165 4.185 -0.020 1
1 1452 . 11 2 2 B 24 24 ARG C C 67 177.147 176.519 0.628 1
1 1453 . 11 2 2 B 24 24 ARG CA C 67 59.004 57.863 1.141 1
1 1454 . 11 2 2 B 24 24 ARG CB C 67 30.472 29.657 0.815 1
1 1457 . 11 2 2 B 24 24 ARG N N 67 118.427 116.405 2.022 1
1 1458 . 11 2 2 B 25 25 ASN H H 68 7.322 7.886 -0.564 1
1 1459 . 11 2 2 B 25 25 ASN HA H 68 5.064 5.245 -0.181 1
1 1464 . 11 2 2 B 25 25 ASN CA C 68 51.014 50.484 0.530 1
1 1465 . 11 2 2 B 25 25 ASN CB C 68 38.696 39.158 -0.462 1
1 1466 . 11 2 2 B 25 25 ASN N N 68 114.083 118.036 -3.953 1
1 1468 . 11 2 2 B 26 26 PRO HA H 69 4.521 4.511 0.010 1
1 1475 . 11 2 2 B 26 26 PRO C C 69 177.323 177.129 0.194 1
1 1476 . 11 2 2 B 26 26 PRO CA C 69 63.698 65.384 -1.686 1
1 1477 . 11 2 2 B 26 26 PRO CB C 69 33.286 31.868 1.418 1
1 1480 . 11 2 2 B 27 27 LYS H H 70 8.672 7.962 0.710 1
1 1481 . 11 2 2 B 27 27 LYS HA H 70 4.980 3.973 1.007 1
1 1490 . 11 2 2 B 27 27 LYS CA C 70 52.767 56.531 -3.764 1
1 1491 . 11 2 2 B 27 27 LYS CB C 70 33.540 31.090 2.450 1
1 1495 . 11 2 2 B 27 27 LYS N N 70 121.210 115.799 5.411 1
1 1496 . 11 2 2 B 28 28 PRO HA H 71 4.467 4.831 -0.364 1
1 1503 . 11 2 2 B 28 28 PRO C C 71 177.235 175.885 1.350 1
1 1504 . 11 2 2 B 28 28 PRO CA C 71 63.859 62.234 1.625 1
1 1505 . 11 2 2 B 28 28 PRO CB C 71 32.632 32.514 0.118 1
1 1508 . 11 2 2 B 29 29 VAL H H 72 9.036 8.650 0.386 1
1 1509 . 11 2 2 B 29 29 VAL HA H 72 4.155 4.387 -0.232 1
1 1517 . 11 2 2 B 29 29 VAL C C 72 174.554 174.656 -0.102 1
1 1518 . 11 2 2 B 29 29 VAL CA C 72 61.506 61.247 0.259 1
1 1519 . 11 2 2 B 29 29 VAL CB C 72 34.764 33.027 1.737 1
1 1522 . 11 2 2 B 29 29 VAL N N 72 124.322 123.777 0.545 1
1 1523 . 11 2 2 B 30 30 ARG H H 73 8.437 8.754 -0.317 1
1 1524 . 11 2 2 B 30 30 ARG HA H 73 5.195 4.691 0.504 1
1 1531 . 11 2 2 B 30 30 ARG C C 73 176.248 176.216 0.032 1
1 1532 . 11 2 2 B 30 30 ARG CA C 73 55.189 55.789 -0.600 1
1 1533 . 11 2 2 B 30 30 ARG CB C 73 27.764 30.717 -2.953 1
1 1536 . 11 2 2 B 30 30 ARG N N 73 129.461 128.526 0.935 1
1 1537 . 11 2 2 B 31 31 VAL H H 74 8.822 8.903 -0.081 1
1 1538 . 11 2 2 B 31 31 VAL HA H 74 4.889 5.092 -0.203 1
1 1546 . 11 2 2 B 31 31 VAL C C 74 173.965 174.022 -0.057 1
1 1547 . 11 2 2 B 31 31 VAL CA C 74 59.055 59.356 -0.301 1
1 1548 . 11 2 2 B 31 31 VAL CB C 74 35.653 36.093 -0.440 1
1 1551 . 11 2 2 B 31 31 VAL N N 74 123.375 120.005 3.370 1
1 1552 . 11 2 2 B 32 32 THR H H 75 7.855 8.346 -0.491 1
1 1553 . 11 2 2 B 32 32 THR HA H 75 4.730 5.008 -0.278 1
1 1558 . 11 2 2 B 32 32 THR C C 75 175.865 175.341 0.524 1
1 1559 . 11 2 2 B 32 32 THR CA C 75 59.052 59.207 -0.155 1
1 1560 . 11 2 2 B 32 32 THR CB C 75 71.228 72.047 -0.819 1
1 1562 . 11 2 2 B 32 32 THR N N 75 109.507 111.147 -1.640 1
1 1563 . 11 2 2 B 33 33 LEU H H 76 8.841 8.971 -0.130 1
1 1564 . 11 2 2 B 33 33 LEU HA H 76 3.773 4.020 -0.247 1
1 1574 . 11 2 2 B 33 33 LEU C C 76 178.737 178.741 -0.004 1
1 1575 . 11 2 2 B 33 33 LEU CA C 76 57.892 57.703 0.189 1
1 1576 . 11 2 2 B 33 33 LEU CB C 76 41.057 41.398 -0.341 1
1 1580 . 11 2 2 B 33 33 LEU N N 76 121.099 122.165 -1.066 1
1 1581 . 11 2 2 B 34 34 ASP H H 77 7.983 8.272 -0.289 1
1 1582 . 11 2 2 B 34 34 ASP HA H 77 4.431 4.284 0.147 1
1 1585 . 11 2 2 B 34 34 ASP C C 77 177.088 178.029 -0.941 1
1 1586 . 11 2 2 B 34 34 ASP CA C 77 55.837 57.903 -2.066 1
1 1587 . 11 2 2 B 34 34 ASP CB C 77 40.498 41.059 -0.561 1
1 1588 . 11 2 2 B 34 34 ASP N N 77 113.851 119.878 -6.027 1
1 1589 . 11 2 2 B 35 35 GLU H H 78 7.561 7.869 -0.308 1
1 1590 . 11 2 2 B 35 35 GLU HA H 78 4.320 4.189 0.131 1
1 1595 . 11 2 2 B 35 35 GLU C C 78 175.482 176.845 -1.363 1
1 1596 . 11 2 2 B 35 35 GLU CA C 78 55.918 57.699 -1.781 1
1 1597 . 11 2 2 B 35 35 GLU CB C 78 30.767 29.526 1.241 1
1 1599 . 11 2 2 B 35 35 GLU N N 78 117.508 116.261 1.247 1
1 15 . 12 1 1 A 5 5 ALA H H 2 8.098 8.365 -0.267 1
1 16 . 12 1 1 A 5 5 ALA HA H 2 4.389 4.013 0.376 1
1 20 . 12 1 1 A 5 5 ALA CA C 2 51.852 55.008 -3.156 1
1 21 . 12 1 1 A 5 5 ALA CB C 2 19.420 18.720 0.700 1
1 22 . 12 1 1 A 5 5 ALA N N 2 125.572 124.540 1.032 1
1 23 . 12 1 1 A 6 6 TYR H H 3 8.402 7.980 0.422 1
1 24 . 12 1 1 A 6 6 TYR HA H 3 4.236 4.827 -0.591 1
1 31 . 12 1 1 A 6 6 TYR CA C 3 57.802 56.340 1.462 1
1 32 . 12 1 1 A 6 6 TYR CB C 3 39.608 40.856 -1.248 1
1 35 . 12 1 1 A 6 6 TYR N N 3 120.730 114.726 6.004 1
1 36 . 12 1 1 A 7 7 PHE H H 4 8.958 9.012 -0.054 1
1 37 . 12 1 1 A 7 7 PHE HA H 4 4.509 4.852 -0.343 1
1 45 . 12 1 1 A 7 7 PHE CA C 4 57.936 57.852 0.084 1
1 46 . 12 1 1 A 7 7 PHE CB C 4 40.613 40.657 -0.044 1
1 50 . 12 1 1 A 7 7 PHE N N 4 118.436 120.861 -2.425 1
1 51 . 12 1 1 A 8 8 LEU H H 5 8.711 8.698 0.013 1
1 52 . 12 1 1 A 8 8 LEU HA H 5 5.336 5.322 0.014 1
1 62 . 12 1 1 A 8 8 LEU CA C 5 53.391 53.712 -0.321 1
1 63 . 12 1 1 A 8 8 LEU CB C 5 44.716 46.118 -1.402 1
1 67 . 12 1 1 A 8 8 LEU N N 5 122.810 121.957 0.853 1
1 68 . 12 1 1 A 9 9 ASP H H 6 9.145 8.834 0.311 1
1 69 . 12 1 1 A 9 9 ASP HA H 6 5.999 5.431 0.568 1
1 72 . 12 1 1 A 9 9 ASP CA C 6 51.759 52.818 -1.059 1
1 73 . 12 1 1 A 9 9 ASP CB C 6 44.757 45.730 -0.973 1
1 74 . 12 1 1 A 9 9 ASP N N 6 124.570 124.884 -0.314 1
1 75 . 12 1 1 A 10 10 PHE H H 7 9.884 9.225 0.659 1
1 76 . 12 1 1 A 10 10 PHE HA H 7 5.231 5.264 -0.033 1
1 83 . 12 1 1 A 10 10 PHE CA C 7 55.321 56.773 -1.452 1
1 84 . 12 1 1 A 10 10 PHE CB C 7 42.863 43.199 -0.336 1
1 88 . 12 1 1 A 10 10 PHE N N 7 123.156 119.341 3.815 1
1 89 . 12 1 1 A 11 11 ASP H H 8 8.986 8.745 0.241 1
1 90 . 12 1 1 A 11 11 ASP HA H 8 4.924 4.788 0.136 1
1 93 . 12 1 1 A 11 11 ASP CA C 8 55.122 55.055 0.067 1
1 94 . 12 1 1 A 11 11 ASP CB C 8 44.453 42.842 1.611 1
1 95 . 12 1 1 A 11 11 ASP N N 8 123.103 124.507 -1.404 1
1 96 . 12 1 1 A 12 12 GLU H H 9 9.685 9.154 0.531 1
1 97 . 12 1 1 A 12 12 GLU HA H 9 3.984 4.045 -0.061 1
1 102 . 12 1 1 A 12 12 GLU CA C 9 60.974 59.815 1.159 1
1 103 . 12 1 1 A 12 12 GLU CB C 9 31.222 29.557 1.665 1
1 105 . 12 1 1 A 12 12 GLU N N 9 128.730 126.934 1.796 1
1 106 . 12 1 1 A 13 13 ARG H H 10 9.626 7.973 1.653 1
1 107 . 12 1 1 A 13 13 ARG HA H 10 4.063 4.006 0.057 1
1 114 . 12 1 1 A 13 13 ARG CA C 10 59.013 59.006 0.007 1
1 115 . 12 1 1 A 13 13 ARG CB C 10 30.124 30.150 -0.026 1
1 118 . 12 1 1 A 13 13 ARG N N 10 117.930 119.497 -1.567 1
1 119 . 12 1 1 A 14 14 ALA H H 11 7.268 8.478 -1.210 1
1 120 . 12 1 1 A 14 14 ALA HA H 11 5.323 4.198 1.125 1
1 124 . 12 1 1 A 14 14 ALA CA C 11 53.013 55.058 -2.045 1
1 125 . 12 1 1 A 14 14 ALA CB C 11 18.072 18.745 -0.673 1
1 126 . 12 1 1 A 14 14 ALA N N 11 122.063 122.535 -0.472 1
1 127 . 12 1 1 A 15 15 LEU H H 12 8.773 8.118 0.655 1
1 128 . 12 1 1 A 15 15 LEU HA H 12 4.318 2.728 1.590 1
1 138 . 12 1 1 A 15 15 LEU CA C 12 57.404 57.570 -0.166 1
1 139 . 12 1 1 A 15 15 LEU CB C 12 41.842 41.635 0.207 1
1 143 . 12 1 1 A 15 15 LEU N N 12 121.956 118.731 3.225 1
1 144 . 12 1 1 A 16 16 LYS H H 13 7.515 7.660 -0.145 1
1 145 . 12 1 1 A 16 16 LYS HA H 13 4.099 3.854 0.245 1
1 154 . 12 1 1 A 16 16 LYS CA C 13 59.837 59.383 0.454 1
1 155 . 12 1 1 A 16 16 LYS CB C 13 32.297 31.925 0.372 1
1 159 . 12 1 1 A 16 16 LYS N N 13 118.250 116.961 1.289 1
1 160 . 12 1 1 A 17 17 GLU H H 14 7.416 8.209 -0.793 1
1 161 . 12 1 1 A 17 17 GLU HA H 14 3.959 4.020 -0.061 1
1 166 . 12 1 1 A 17 17 GLU CA C 14 59.458 59.395 0.063 1
1 167 . 12 1 1 A 17 17 GLU CB C 14 29.644 29.521 0.123 1
1 169 . 12 1 1 A 17 17 GLU N N 14 118.330 119.455 -1.125 1
1 170 . 12 1 1 A 18 18 TRP H H 15 9.095 7.846 1.249 1
1 171 . 12 1 1 A 18 18 TRP HA H 15 4.013 4.517 -0.504 1
1 178 . 12 1 1 A 18 18 TRP CA C 15 60.476 59.612 0.864 1
1 179 . 12 1 1 A 18 18 TRP CB C 15 29.644 27.744 1.900 1
1 182 . 12 1 1 A 18 18 TRP N N 15 121.770 118.513 3.257 1
1 183 . 12 1 1 A 19 19 ARG H H 16 8.060 7.294 0.766 1
1 184 . 12 1 1 A 19 19 ARG HA H 16 4.030 4.172 -0.142 1
1 191 . 12 1 1 A 19 19 ARG CA C 16 57.993 58.855 -0.862 1
1 192 . 12 1 1 A 19 19 ARG CB C 16 29.948 29.863 0.085 1
1 195 . 12 1 1 A 19 19 ARG N N 16 113.396 121.363 -7.967 1
1 196 . 12 1 1 A 20 20 LYS H H 17 7.274 7.837 -0.563 1
1 197 . 12 1 1 A 20 20 LYS HA H 17 4.311 4.376 -0.065 1
1 206 . 12 1 1 A 20 20 LYS CA C 17 57.183 57.656 -0.473 1
1 207 . 12 1 1 A 20 20 LYS CB C 17 32.106 32.638 -0.532 1
1 211 . 12 1 1 A 20 20 LYS N N 17 116.232 114.829 1.403 1
1 212 . 12 1 1 A 21 21 LEU H H 18 7.359 7.231 0.128 1
1 213 . 12 1 1 A 21 21 LEU HA H 18 4.074 4.870 -0.796 1
1 223 . 12 1 1 A 21 21 LEU CA C 18 54.367 52.934 1.433 1
1 224 . 12 1 1 A 21 21 LEU CB C 18 43.185 44.471 -1.286 1
1 228 . 12 1 1 A 21 21 LEU N N 18 119.903 116.477 3.426 1
1 229 . 12 1 1 A 22 22 GLY H H 19 8.455 8.197 0.258 1
1 230 . 12 1 1 A 22 22 GLY HA2 H 19 4.103 3.996 0.107 1
1 231 . 12 1 1 A 22 22 GLY HA3 H 19 3.888 4.050 -0.162 1
1 232 . 12 1 1 A 22 22 GLY CA C 19 44.739 45.639 -0.900 1
1 233 . 12 1 1 A 22 22 GLY N N 19 108.063 107.112 0.951 1
1 234 . 12 1 1 A 23 23 SER H H 20 8.711 8.846 -0.135 1
1 235 . 12 1 1 A 23 23 SER HA H 20 4.422 4.123 0.299 1
1 238 . 12 1 1 A 23 23 SER CA C 20 58.325 62.517 -4.192 1
1 239 . 12 1 1 A 23 23 SER CB C 20 63.754 62.918 0.836 1
1 240 . 12 1 1 A 23 23 SER N N 20 117.509 118.505 -0.996 1
1 241 . 12 1 1 A 24 24 THR H H 21 8.273 7.907 0.366 1
1 242 . 12 1 1 A 24 24 THR HA H 21 4.026 3.992 0.034 1
1 247 . 12 1 1 A 24 24 THR CA C 21 65.605 65.709 -0.104 1
1 248 . 12 1 1 A 24 24 THR CB C 21 68.013 68.508 -0.495 1
1 250 . 12 1 1 A 24 24 THR N N 21 116.047 118.252 -2.205 1
1 251 . 12 1 1 A 25 25 VAL H H 22 7.075 7.944 -0.869 1
1 252 . 12 1 1 A 25 25 VAL HA H 22 3.507 3.476 0.031 1
1 260 . 12 1 1 A 25 25 VAL CA C 22 65.475 66.827 -1.352 1
1 261 . 12 1 1 A 25 25 VAL CB C 22 31.319 31.314 0.005 1
1 264 . 12 1 1 A 25 25 VAL N N 22 122.543 122.015 0.528 1
1 265 . 12 1 1 A 26 26 ARG H H 23 7.781 8.023 -0.242 1
1 266 . 12 1 1 A 26 26 ARG HA H 23 3.116 4.006 -0.890 1
1 273 . 12 1 1 A 26 26 ARG CA C 23 60.215 58.070 2.145 1
1 274 . 12 1 1 A 26 26 ARG CB C 23 30.555 29.698 0.857 1
1 277 . 12 1 1 A 26 26 ARG N N 23 118.490 119.780 -1.290 1
1 278 . 12 1 1 A 27 27 GLU H H 24 8.107 7.954 0.153 1
1 279 . 12 1 1 A 27 27 GLU HA H 24 4.031 4.069 -0.038 1
1 284 . 12 1 1 A 27 27 GLU CA C 24 59.421 59.031 0.390 1
1 285 . 12 1 1 A 27 27 GLU CB C 24 29.126 29.270 -0.144 1
1 287 . 12 1 1 A 27 27 GLU N N 24 116.756 118.840 -2.084 1
1 288 . 12 1 1 A 28 28 GLN H H 25 7.760 7.637 0.123 1
1 289 . 12 1 1 A 28 28 GLN HA H 25 4.097 4.024 0.073 1
1 296 . 12 1 1 A 28 28 GLN CA C 25 59.055 58.311 0.744 1
1 297 . 12 1 1 A 28 28 GLN CB C 25 29.925 28.347 1.578 1
1 299 . 12 1 1 A 28 28 GLN N N 25 118.410 119.940 -1.530 1
1 301 . 12 1 1 A 29 29 LEU H H 26 8.631 8.059 0.572 1
1 302 . 12 1 1 A 29 29 LEU HA H 26 4.145 4.027 0.118 1
1 312 . 12 1 1 A 29 29 LEU CA C 26 57.929 57.898 0.031 1
1 313 . 12 1 1 A 29 29 LEU CB C 26 42.787 41.578 1.209 1
1 317 . 12 1 1 A 29 29 LEU N N 26 119.716 119.847 -0.131 1
1 318 . 12 1 1 A 30 30 LYS H H 27 9.183 8.058 1.125 1
1 319 . 12 1 1 A 30 30 LYS HA H 27 3.981 4.017 -0.036 1
1 328 . 12 1 1 A 30 30 LYS CA C 27 61.364 59.742 1.622 1
1 329 . 12 1 1 A 30 30 LYS CB C 27 32.137 31.848 0.289 1
1 333 . 12 1 1 A 30 30 LYS N N 27 120.836 118.464 2.372 1
1 334 . 12 1 1 A 31 31 LYS H H 28 7.580 7.320 0.260 1
1 335 . 12 1 1 A 31 31 LYS HA H 28 4.050 4.023 0.027 1
1 344 . 12 1 1 A 31 31 LYS CA C 28 59.586 59.600 -0.014 1
1 345 . 12 1 1 A 31 31 LYS CB C 28 32.373 32.320 0.053 1
1 349 . 12 1 1 A 31 31 LYS N N 28 116.783 119.378 -2.595 1
1 350 . 12 1 1 A 32 32 LYS H H 29 7.300 7.487 -0.187 1
1 351 . 12 1 1 A 32 32 LYS HA H 29 4.090 4.095 -0.005 1
1 360 . 12 1 1 A 32 32 LYS CA C 29 57.130 58.958 -1.828 1
1 361 . 12 1 1 A 32 32 LYS N N 29 116.383 119.159 -2.776 1
1 362 . 12 1 1 A 33 33 LEU H H 30 8.722 7.916 0.806 1
1 363 . 12 1 1 A 33 33 LEU HA H 30 3.881 3.880 0.001 1
1 373 . 12 1 1 A 33 33 LEU CA C 30 57.634 57.859 -0.225 1
1 374 . 12 1 1 A 33 33 LEU CB C 30 42.116 41.706 0.410 1
1 378 . 12 1 1 A 33 33 LEU N N 30 121.770 120.635 1.135 1
1 379 . 12 1 1 A 34 34 VAL H H 31 8.067 8.123 -0.056 1
1 380 . 12 1 1 A 34 34 VAL HA H 31 3.479 3.730 -0.251 1
1 388 . 12 1 1 A 34 34 VAL CA C 31 66.847 65.097 1.750 1
1 389 . 12 1 1 A 34 34 VAL CB C 31 31.860 31.141 0.719 1
1 392 . 12 1 1 A 34 34 VAL N N 31 118.116 119.785 -1.669 1
1 393 . 12 1 1 A 35 35 GLU H H 32 6.825 8.215 -1.390 1
1 394 . 12 1 1 A 35 35 GLU HA H 32 4.090 4.030 0.060 1
1 399 . 12 1 1 A 35 35 GLU CA C 32 58.624 58.944 -0.320 1
1 400 . 12 1 1 A 35 35 GLU CB C 32 29.746 28.968 0.778 1
1 402 . 12 1 1 A 35 35 GLU N N 32 116.570 120.211 -3.641 1
1 403 . 12 1 1 A 36 36 VAL H H 33 7.785 7.397 0.388 1
1 404 . 12 1 1 A 36 36 VAL HA H 33 3.484 3.697 -0.213 1
1 412 . 12 1 1 A 36 36 VAL CA C 33 65.213 65.792 -0.579 1
1 413 . 12 1 1 A 36 36 VAL CB C 33 31.932 31.125 0.807 1
1 416 . 12 1 1 A 36 36 VAL N N 33 120.618 117.038 3.580 1
1 417 . 12 1 1 A 37 37 LEU H H 34 7.956 7.615 0.341 1
1 418 . 12 1 1 A 37 37 LEU HA H 34 3.747 4.057 -0.310 1
1 428 . 12 1 1 A 37 37 LEU CA C 34 57.069 56.395 0.674 1
1 429 . 12 1 1 A 37 37 LEU CB C 34 40.916 41.668 -0.752 1
1 433 . 12 1 1 A 37 37 LEU N N 34 115.476 121.821 -6.345 1
1 434 . 12 1 1 A 38 38 GLU H H 35 7.042 7.795 -0.753 1
1 435 . 12 1 1 A 38 38 GLU HA H 35 4.395 4.257 0.138 1
1 440 . 12 1 1 A 38 38 GLU CA C 35 57.553 58.009 -0.456 1
1 441 . 12 1 1 A 38 38 GLU CB C 35 30.234 31.103 -0.869 1
1 443 . 12 1 1 A 38 38 GLU N N 35 114.356 119.642 -5.286 1
1 444 . 12 1 1 A 39 39 SER H H 36 7.125 7.613 -0.488 1
1 445 . 12 1 1 A 39 39 SER HA H 36 4.593 4.613 -0.020 1
1 448 . 12 1 1 A 39 39 SER CA C 36 55.308 55.856 -0.548 1
1 449 . 12 1 1 A 39 39 SER CB C 36 62.305 64.241 -1.936 1
1 450 . 12 1 1 A 39 39 SER N N 36 109.796 113.512 -3.716 1
1 451 . 12 1 1 A 40 40 PRO HA H 37 4.360 4.462 -0.102 1
1 458 . 12 1 1 A 40 40 PRO CA C 37 64.802 63.660 1.142 1
1 459 . 12 1 1 A 40 40 PRO CB C 37 32.562 32.742 -0.180 1
1 462 . 12 1 1 A 41 41 ARG H H 38 8.356 7.984 0.372 1
1 463 . 12 1 1 A 41 41 ARG HA H 38 3.271 4.219 -0.948 1
1 470 . 12 1 1 A 41 41 ARG CA C 38 56.364 55.050 1.314 1
1 471 . 12 1 1 A 41 41 ARG CB C 38 29.580 29.414 0.166 1
1 474 . 12 1 1 A 41 41 ARG N N 38 120.882 120.791 0.091 1
1 475 . 12 1 1 A 42 42 ILE H H 39 5.973 7.366 -1.393 1
1 476 . 12 1 1 A 42 42 ILE HA H 39 4.216 4.424 -0.208 1
1 486 . 12 1 1 A 42 42 ILE CA C 39 60.301 60.401 -0.100 1
1 487 . 12 1 1 A 42 42 ILE CB C 39 38.705 38.104 0.601 1
1 491 . 12 1 1 A 42 42 ILE N N 39 127.866 125.669 2.197 1
1 492 . 12 1 1 A 43 43 GLU H H 40 8.860 8.575 0.285 1
1 493 . 12 1 1 A 43 43 GLU HA H 40 4.218 4.409 -0.191 1
1 498 . 12 1 1 A 43 43 GLU CA C 40 59.945 58.284 1.661 1
1 499 . 12 1 1 A 43 43 GLU CB C 40 29.040 28.767 0.273 1
1 501 . 12 1 1 A 43 43 GLU N N 40 129.498 125.226 4.272 1
1 502 . 12 1 1 A 44 44 ALA H H 41 8.827 7.553 1.274 1
1 503 . 12 1 1 A 44 44 ALA HA H 41 4.241 4.143 0.098 1
1 507 . 12 1 1 A 44 44 ALA CA C 41 54.035 54.145 -0.110 1
1 508 . 12 1 1 A 44 44 ALA CB C 41 18.466 18.297 0.169 1
1 509 . 12 1 1 A 44 44 ALA N N 41 119.919 123.664 -3.745 1
1 510 . 12 1 1 A 45 45 ASN H H 42 8.184 7.939 0.245 1
1 511 . 12 1 1 A 45 45 ASN HA H 42 5.082 4.984 0.098 1
1 516 . 12 1 1 A 45 45 ASN CA C 42 51.401 52.787 -1.386 1
1 517 . 12 1 1 A 45 45 ASN CB C 42 38.684 39.660 -0.976 1
1 518 . 12 1 1 A 45 45 ASN N N 42 114.675 114.426 0.249 1
1 520 . 12 1 1 A 46 46 LYS H H 43 7.515 7.677 -0.162 1
1 521 . 12 1 1 A 46 46 LYS HA H 43 3.741 4.209 -0.468 1
1 530 . 12 1 1 A 46 46 LYS CA C 43 57.354 57.086 0.268 1
1 531 . 12 1 1 A 46 46 LYS CB C 43 32.905 32.978 -0.073 1
1 535 . 12 1 1 A 46 46 LYS N N 43 122.167 122.254 -0.087 1
1 536 . 12 1 1 A 47 47 LEU H H 44 8.184 8.086 0.098 1
1 537 . 12 1 1 A 47 47 LEU HA H 44 4.297 4.322 -0.025 1
1 547 . 12 1 1 A 47 47 LEU CA C 44 53.422 54.990 -1.568 1
1 548 . 12 1 1 A 47 47 LEU CB C 44 42.208 43.568 -1.360 1
1 552 . 12 1 1 A 47 47 LEU N N 44 127.544 126.578 0.966 1
1 553 . 12 1 1 A 48 48 ARG H H 45 8.706 8.893 -0.187 1
1 554 . 12 1 1 A 48 48 ARG HA H 45 3.918 4.028 -0.110 1
1 561 . 12 1 1 A 48 48 ARG CA C 45 57.765 59.627 -1.862 1
1 562 . 12 1 1 A 48 48 ARG CB C 45 29.686 30.188 -0.502 1
1 565 . 12 1 1 A 48 48 ARG N N 45 128.641 125.965 2.676 1
1 566 . 12 1 1 A 49 49 GLY H H 46 8.543 8.032 0.511 1
1 567 . 12 1 1 A 49 49 GLY HA2 H 46 4.129 3.958 0.171 1
1 568 . 12 1 1 A 49 49 GLY HA3 H 46 3.662 3.958 -0.296 1
1 569 . 12 1 1 A 49 49 GLY CA C 46 44.981 45.244 -0.263 1
1 570 . 12 1 1 A 49 49 GLY N N 46 110.474 105.861 4.613 1
1 571 . 12 1 1 A 50 50 MET H H 47 7.404 7.638 -0.234 1
1 572 . 12 1 1 A 50 50 MET HA H 47 5.226 4.896 0.330 1
1 580 . 12 1 1 A 50 50 MET CA C 47 50.824 52.267 -1.443 1
1 581 . 12 1 1 A 50 50 MET CB C 47 33.186 33.407 -0.221 1
1 584 . 12 1 1 A 50 50 MET N N 47 118.742 118.754 -0.012 1
1 585 . 12 1 1 A 51 51 PRO HA H 48 4.344 4.277 0.067 1
1 592 . 12 1 1 A 51 51 PRO CA C 48 63.591 64.768 -1.177 1
1 593 . 12 1 1 A 51 51 PRO CB C 48 31.942 31.832 0.110 1
1 596 . 12 1 1 A 52 52 ASP H H 49 8.703 8.299 0.404 1
1 597 . 12 1 1 A 52 52 ASP HA H 49 4.392 4.599 -0.207 1
1 600 . 12 1 1 A 52 52 ASP CA C 49 56.244 53.930 2.314 1
1 601 . 12 1 1 A 52 52 ASP N N 49 116.361 116.117 0.244 1
1 602 . 12 1 1 A 53 53 CYS H H 50 7.456 6.942 0.514 1
1 603 . 12 1 1 A 53 53 CYS HA H 50 5.799 4.698 1.101 1
1 606 . 12 1 1 A 53 53 CYS CA C 50 58.147 56.548 1.599 1
1 607 . 12 1 1 A 53 53 CYS CB C 50 30.953 30.930 0.023 1
1 608 . 12 1 1 A 53 53 CYS N N 50 114.086 118.316 -4.230 1
1 609 . 12 1 1 A 54 54 TYR H H 51 8.939 8.476 0.463 1
1 610 . 12 1 1 A 54 54 TYR HA H 51 4.662 4.904 -0.242 1
1 617 . 12 1 1 A 54 54 TYR CA C 51 56.444 55.820 0.624 1
1 618 . 12 1 1 A 54 54 TYR CB C 51 43.000 42.709 0.291 1
1 620 . 12 1 1 A 54 54 TYR N N 51 120.722 123.877 -3.155 1
1 621 . 12 1 1 A 55 55 LYS H H 52 8.665 8.989 -0.324 1
1 622 . 12 1 1 A 55 55 LYS HA H 52 5.456 5.064 0.392 1
1 631 . 12 1 1 A 55 55 LYS CA C 52 53.968 54.707 -0.739 1
1 632 . 12 1 1 A 55 55 LYS CB C 52 36.126 35.068 1.058 1
1 636 . 12 1 1 A 55 55 LYS N N 52 117.297 119.209 -1.912 1
1 637 . 12 1 1 A 56 56 ILE H H 53 9.272 9.140 0.132 1
1 638 . 12 1 1 A 56 56 ILE HA H 53 4.428 4.878 -0.450 1
1 648 . 12 1 1 A 56 56 ILE CA C 53 60.803 59.888 0.915 1
1 649 . 12 1 1 A 56 56 ILE CB C 53 40.849 39.714 1.135 1
1 653 . 12 1 1 A 56 56 ILE N N 53 122.006 126.114 -4.108 1
1 654 . 12 1 1 A 57 57 LYS H H 54 8.745 9.199 -0.454 1
1 655 . 12 1 1 A 57 57 LYS HA H 54 5.093 5.074 0.019 1
1 664 . 12 1 1 A 57 57 LYS CA C 54 54.227 54.594 -0.367 1
1 665 . 12 1 1 A 57 57 LYS CB C 54 35.595 36.067 -0.472 1
1 669 . 12 1 1 A 57 57 LYS N N 54 125.752 124.950 0.802 1
1 670 . 12 1 1 A 58 58 LEU H H 55 8.543 8.909 -0.366 1
1 671 . 12 1 1 A 58 58 LEU HA H 55 4.788 4.546 0.242 1
1 681 . 12 1 1 A 58 58 LEU CA C 55 53.151 54.781 -1.630 1
1 682 . 12 1 1 A 58 58 LEU CB C 55 41.238 42.341 -1.103 1
1 686 . 12 1 1 A 58 58 LEU N N 55 124.173 124.203 -0.030 1
1 687 . 12 1 1 A 59 59 ARG HA H 56 4.039 3.964 0.075 1
1 694 . 12 1 1 A 59 59 ARG CA C 56 59.531 59.569 -0.038 1
1 695 . 12 1 1 A 59 59 ARG CB C 56 32.180 30.486 1.694 1
1 698 . 12 1 1 A 60 60 SER HA H 57 4.335 4.428 -0.093 1
1 701 . 12 1 1 A 60 60 SER CA C 57 60.035 60.152 -0.117 1
1 702 . 12 1 1 A 60 60 SER CB C 57 62.551 63.882 -1.331 1
1 703 . 12 1 1 A 61 61 SER H H 58 7.605 7.859 -0.254 1
1 704 . 12 1 1 A 61 61 SER HA H 58 4.604 4.517 0.087 1
1 707 . 12 1 1 A 61 61 SER CA C 58 58.122 59.597 -1.475 1
1 708 . 12 1 1 A 61 61 SER CB C 58 64.520 63.597 0.923 1
1 709 . 12 1 1 A 61 61 SER N N 58 112.447 114.444 -1.997 1
1 710 . 12 1 1 A 62 62 GLY H H 59 8.214 8.188 0.026 1
1 711 . 12 1 1 A 62 62 GLY HA2 H 59 4.091 3.879 0.212 1
1 712 . 12 1 1 A 62 62 GLY HA3 H 59 3.824 3.934 -0.110 1
1 713 . 12 1 1 A 62 62 GLY CA C 59 45.562 45.322 0.240 1
1 714 . 12 1 1 A 62 62 GLY N N 59 108.976 109.624 -0.648 1
1 715 . 12 1 1 A 63 63 TYR H H 60 7.283 8.034 -0.751 1
1 716 . 12 1 1 A 63 63 TYR HA H 60 4.619 4.619 0.000 1
1 723 . 12 1 1 A 63 63 TYR CA C 60 60.412 58.250 2.162 1
1 724 . 12 1 1 A 63 63 TYR CB C 60 40.339 39.276 1.063 1
1 727 . 12 1 1 A 63 63 TYR N N 60 117.859 120.126 -2.267 1
1 728 . 12 1 1 A 64 64 ARG H H 61 9.296 8.709 0.587 1
1 729 . 12 1 1 A 64 64 ARG HA H 61 5.634 5.387 0.247 1
1 736 . 12 1 1 A 64 64 ARG CA C 61 54.114 54.375 -0.261 1
1 737 . 12 1 1 A 64 64 ARG CB C 61 33.245 34.800 -1.555 1
1 740 . 12 1 1 A 64 64 ARG N N 61 117.912 120.355 -2.443 1
1 741 . 12 1 1 A 65 65 LEU H H 62 9.077 8.903 0.174 1
1 742 . 12 1 1 A 65 65 LEU HA H 62 5.459 4.952 0.507 1
1 752 . 12 1 1 A 65 65 LEU CA C 62 54.114 54.729 -0.615 1
1 753 . 12 1 1 A 65 65 LEU CB C 62 46.977 45.746 1.231 1
1 757 . 12 1 1 A 65 65 LEU N N 62 123.590 123.626 -0.036 1
1 758 . 12 1 1 A 66 66 VAL H H 63 8.729 9.167 -0.438 1
1 759 . 12 1 1 A 66 66 VAL HA H 63 5.206 4.901 0.305 1
1 767 . 12 1 1 A 66 66 VAL CA C 63 60.112 61.034 -0.922 1
1 768 . 12 1 1 A 66 66 VAL CB C 63 34.296 32.991 1.305 1
1 771 . 12 1 1 A 66 66 VAL N N 63 123.237 127.255 -4.018 1
1 772 . 12 1 1 A 67 67 TYR H H 64 8.976 8.858 0.118 1
1 773 . 12 1 1 A 67 67 TYR HA H 64 5.745 5.335 0.410 1
1 780 . 12 1 1 A 67 67 TYR CA C 64 53.968 55.151 -1.183 1
1 781 . 12 1 1 A 67 67 TYR CB C 64 42.534 41.331 1.203 1
1 784 . 12 1 1 A 67 67 TYR N N 64 124.227 124.503 -0.276 1
1 785 . 12 1 1 A 68 68 GLN H H 65 9.696 8.829 0.867 1
1 786 . 12 1 1 A 68 68 GLN HA H 65 5.640 5.129 0.511 1
1 793 . 12 1 1 A 68 68 GLN CA C 65 52.933 54.217 -1.284 1
1 794 . 12 1 1 A 68 68 GLN CB C 65 33.585 32.214 1.371 1
1 796 . 12 1 1 A 68 68 GLN N N 65 122.541 120.001 2.540 1
1 798 . 12 1 1 A 69 69 VAL H H 66 9.050 9.234 -0.184 1
1 799 . 12 1 1 A 69 69 VAL HA H 66 4.513 4.715 -0.202 1
1 807 . 12 1 1 A 69 69 VAL CA C 66 62.534 62.074 0.460 1
1 808 . 12 1 1 A 69 69 VAL CB C 66 33.052 32.777 0.275 1
1 811 . 12 1 1 A 69 69 VAL N N 66 127.437 127.006 0.431 1
1 812 . 12 1 1 A 70 70 ILE H H 67 9.385 9.053 0.332 1
1 813 . 12 1 1 A 70 70 ILE HA H 67 4.475 4.555 -0.080 1
1 823 . 12 1 1 A 70 70 ILE CA C 67 59.863 60.696 -0.833 1
1 824 . 12 1 1 A 70 70 ILE CB C 67 37.487 38.582 -1.095 1
1 828 . 12 1 1 A 70 70 ILE N N 67 129.296 127.546 1.750 1
1 829 . 12 1 1 A 71 71 ASP H H 68 9.343 9.114 0.229 1
1 830 . 12 1 1 A 71 71 ASP HA H 68 4.595 4.492 0.103 1
1 833 . 12 1 1 A 71 71 ASP CA C 68 58.841 57.487 1.354 1
1 834 . 12 1 1 A 71 71 ASP CB C 68 40.637 40.834 -0.197 1
1 835 . 12 1 1 A 71 71 ASP N N 68 128.749 129.543 -0.794 1
1 836 . 12 1 1 A 72 72 GLU H H 69 9.718 8.696 1.022 1
1 837 . 12 1 1 A 72 72 GLU HA H 69 4.124 4.073 0.051 1
1 842 . 12 1 1 A 72 72 GLU CA C 69 59.335 59.333 0.002 1
1 843 . 12 1 1 A 72 72 GLU CB C 69 29.131 29.067 0.064 1
1 845 . 12 1 1 A 72 72 GLU N N 69 118.929 117.341 1.588 1
1 846 . 12 1 1 A 73 73 LYS H H 70 6.653 7.752 -1.099 1
1 847 . 12 1 1 A 73 73 LYS HA H 70 4.517 4.346 0.171 1
1 856 . 12 1 1 A 73 73 LYS CA C 70 54.587 56.285 -1.698 1
1 857 . 12 1 1 A 73 73 LYS CB C 70 33.843 33.017 0.826 1
1 861 . 12 1 1 A 73 73 LYS N N 70 114.113 117.342 -3.229 1
1 862 . 12 1 1 A 74 74 VAL H H 71 7.832 7.896 -0.064 1
1 863 . 12 1 1 A 74 74 VAL HA H 71 3.012 3.619 -0.607 1
1 871 . 12 1 1 A 74 74 VAL CA C 71 63.090 63.148 -0.058 1
1 872 . 12 1 1 A 74 74 VAL CB C 71 29.226 29.189 0.037 1
1 875 . 12 1 1 A 74 74 VAL N N 71 119.223 116.462 2.761 1
1 876 . 12 1 1 A 75 75 VAL H H 72 7.732 8.006 -0.274 1
1 877 . 12 1 1 A 75 75 VAL HA H 72 4.950 5.062 -0.112 1
1 885 . 12 1 1 A 75 75 VAL CA C 72 60.455 60.568 -0.113 1
1 886 . 12 1 1 A 75 75 VAL CB C 72 37.925 35.344 2.581 1
1 889 . 12 1 1 A 75 75 VAL N N 72 117.190 120.398 -3.208 1
1 890 . 12 1 1 A 76 76 VAL H H 73 9.026 8.765 0.261 1
1 891 . 12 1 1 A 76 76 VAL HA H 73 4.349 4.604 -0.255 1
1 899 . 12 1 1 A 76 76 VAL CA C 73 62.527 61.858 0.669 1
1 900 . 12 1 1 A 76 76 VAL CB C 73 32.882 31.330 1.552 1
1 903 . 12 1 1 A 76 76 VAL N N 73 128.347 126.814 1.533 1
1 904 . 12 1 1 A 77 77 PHE H H 74 9.629 9.182 0.447 1
1 905 . 12 1 1 A 77 77 PHE HA H 74 5.898 5.084 0.814 1
1 913 . 12 1 1 A 77 77 PHE CA C 74 51.863 56.142 -4.279 1
1 914 . 12 1 1 A 77 77 PHE CB C 74 40.214 40.136 0.078 1
1 918 . 12 1 1 A 77 77 PHE N N 74 128.802 129.090 -0.288 1
1 919 . 12 1 1 A 78 78 VAL H H 75 9.535 8.739 0.796 1
1 920 . 12 1 1 A 78 78 VAL HA H 75 3.712 3.887 -0.175 1
1 928 . 12 1 1 A 78 78 VAL CA C 75 63.939 63.529 0.410 1
1 929 . 12 1 1 A 78 78 VAL CB C 75 31.079 31.164 -0.085 1
1 932 . 12 1 1 A 78 78 VAL N N 75 128.588 127.533 1.055 1
1 933 . 12 1 1 A 79 79 ILE H H 76 8.515 8.922 -0.407 1
1 934 . 12 1 1 A 79 79 ILE HA H 76 3.443 3.786 -0.343 1
1 944 . 12 1 1 A 79 79 ILE CA C 76 61.950 62.230 -0.280 1
1 945 . 12 1 1 A 79 79 ILE CB C 76 40.800 38.218 2.582 1
1 949 . 12 1 1 A 79 79 ILE N N 76 126.287 128.753 -2.466 1
1 950 . 12 1 1 A 80 80 SER H H 77 7.180 7.667 -0.487 1
1 951 . 12 1 1 A 80 80 SER HA H 77 4.506 5.119 -0.613 1
1 954 . 12 1 1 A 80 80 SER CA C 77 57.464 57.794 -0.330 1
1 955 . 12 1 1 A 80 80 SER CB C 77 64.912 67.035 -2.123 1
1 956 . 12 1 1 A 80 80 SER N N 77 111.625 114.666 -3.041 1
1 957 . 12 1 1 A 81 81 VAL H H 78 8.641 8.620 0.021 1
1 958 . 12 1 1 A 81 81 VAL HA H 78 5.066 4.982 0.084 1
1 966 . 12 1 1 A 81 81 VAL CA C 78 60.913 60.688 0.225 1
1 967 . 12 1 1 A 81 81 VAL CB C 78 35.010 36.195 -1.185 1
1 970 . 12 1 1 A 81 81 VAL N N 78 126.742 123.114 3.628 1
1 971 . 12 1 1 A 82 82 GLY H H 79 8.658 8.423 0.235 1
1 972 . 12 1 1 A 82 82 GLY HA2 H 79 4.370 4.260 0.110 1
1 973 . 12 1 1 A 82 82 GLY HA3 H 79 4.160 4.433 -0.273 1
1 974 . 12 1 1 A 82 82 GLY CA C 79 46.036 44.280 1.756 1
1 975 . 12 1 1 A 82 82 GLY N N 79 111.223 111.930 -0.707 1
1 976 . 12 1 1 A 83 83 LYS H H 80 8.569 8.383 0.186 1
1 977 . 12 1 1 A 83 83 LYS HA H 80 4.369 4.906 -0.537 1
1 986 . 12 1 1 A 83 83 LYS CA C 80 54.855 55.211 -0.356 1
1 987 . 12 1 1 A 83 83 LYS CB C 80 34.866 32.728 2.138 1
1 991 . 12 1 1 A 83 83 LYS N N 80 121.257 122.127 -0.870 1
1 992 . 12 1 1 A 84 84 ALA H H 81 8.334 8.949 -0.615 1
1 993 . 12 1 1 A 84 84 ALA HA H 81 4.274 5.266 -0.992 1
1 997 . 12 1 1 A 84 84 ALA CA C 81 52.003 50.539 1.464 1
1 998 . 12 1 1 A 84 84 ALA CB C 81 19.185 21.163 -1.978 1
1 999 . 12 1 1 A 84 84 ALA N N 81 126.662 128.552 -1.890 1
1 1000 . 12 1 1 A 85 85 GLU H H 82 8.638 9.053 -0.415 1
1 1001 . 12 1 1 A 85 85 GLU HA H 82 4.214 5.064 -0.850 1
1 1006 . 12 1 1 A 85 85 GLU CA C 82 56.366 54.284 2.082 1
1 1007 . 12 1 1 A 85 85 GLU CB C 82 30.238 33.019 -2.781 1
1 1009 . 12 1 1 A 85 85 GLU N N 82 121.819 119.045 2.774 1
1 1010 . 12 1 1 A 86 86 ALA H H 83 8.462 8.378 0.084 1
1 1011 . 12 1 1 A 86 86 ALA HA H 83 4.341 4.879 -0.538 1
1 1015 . 12 1 1 A 86 86 ALA CA C 83 52.156 50.941 1.215 1
1 1016 . 12 1 1 A 86 86 ALA CB C 83 19.206 19.656 -0.450 1
1 1017 . 12 1 1 A 86 86 ALA N N 83 125.350 123.376 1.974 1
1 1018 . 12 1 1 A 87 87 SER H H 84 8.309 8.157 0.152 1
1 1019 . 12 1 1 A 87 87 SER HA H 84 4.400 4.356 0.044 1
1 1022 . 12 1 1 A 87 87 SER CA C 84 58.058 61.246 -3.188 1
1 1023 . 12 1 1 A 87 87 SER CB C 84 63.845 63.355 0.490 1
1 1024 . 12 1 1 A 87 87 SER N N 84 115.397 113.558 1.839 1
1 1025 . 12 1 1 A 88 88 GLU H H 85 8.443 8.170 0.273 1
1 1026 . 12 1 1 A 88 88 GLU HA H 85 4.318 4.718 -0.400 1
1 1031 . 12 1 1 A 88 88 GLU CA C 85 56.465 55.361 1.104 1
1 1032 . 12 1 1 A 88 88 GLU CB C 85 30.464 30.057 0.407 1
1 1034 . 12 1 1 A 88 88 GLU N N 85 122.947 117.237 5.710 1
1 1035 . 12 1 1 A 89 89 VAL H H 86 8.098 7.911 0.187 1
1 1036 . 12 1 1 A 89 89 VAL HA H 86 4.044 3.706 0.338 1
1 1044 . 12 1 1 A 89 89 VAL CA C 86 62.293 65.537 -3.244 1
1 1045 . 12 1 1 A 89 89 VAL CB C 86 32.703 30.919 1.784 1
1 1048 . 12 1 1 A 89 89 VAL N N 86 120.884 121.265 -0.381 1
1 1049 . 12 1 1 A 90 90 TYR H H 87 8.313 8.254 0.059 1
1 1050 . 12 1 1 A 90 90 TYR HA H 87 4.623 4.459 0.164 1
1 1057 . 12 1 1 A 90 90 TYR CA C 87 57.791 59.297 -1.506 1
1 1058 . 12 1 1 A 90 90 TYR CB C 87 38.795 36.847 1.948 1
1 1061 . 12 1 1 A 90 90 TYR N N 87 124.634 120.245 4.389 1
1 1062 . 12 1 1 A 91 91 SER H H 88 8.140 7.897 0.243 1
1 1063 . 12 1 1 A 91 91 SER HA H 88 4.411 4.029 0.382 1
1 1066 . 12 1 1 A 91 91 SER CA C 88 58.396 61.135 -2.739 1
1 1067 . 12 1 1 A 91 91 SER CB C 88 63.703 62.843 0.860 1
1 1068 . 12 1 1 A 91 91 SER N N 88 118.447 116.442 2.005 1
1 1069 . 12 1 1 A 92 92 GLU H H 89 8.400 7.566 0.834 1
1 1070 . 12 1 1 A 92 92 GLU HA H 89 4.245 4.268 -0.023 1
1 1075 . 12 1 1 A 92 92 GLU CA C 89 56.465 57.222 -0.757 1
1 1076 . 12 1 1 A 92 92 GLU CB C 89 29.471 30.104 -0.633 1
1 1078 . 12 1 1 A 92 92 GLU N N 89 122.947 118.239 4.708 1
1 1079 . 12 1 1 A 93 93 ALA H H 90 8.224 7.562 0.662 1
1 1080 . 12 1 1 A 93 93 ALA HA H 90 4.287 4.686 -0.399 1
1 1084 . 12 1 1 A 93 93 ALA CA C 90 52.598 50.512 2.086 1
1 1085 . 12 1 1 A 93 93 ALA CB C 90 18.864 20.313 -1.449 1
1 1086 . 12 1 1 A 93 93 ALA N N 90 124.404 122.240 2.164 1
1 1087 . 12 1 1 A 94 94 VAL H H 91 7.971 8.498 -0.527 1
1 1088 . 12 1 1 A 94 94 VAL HA H 91 4.060 4.195 -0.135 1
1 1096 . 12 1 1 A 94 94 VAL CA C 91 62.072 62.069 0.003 1
1 1097 . 12 1 1 A 94 94 VAL CB C 91 32.601 33.037 -0.436 1
1 1100 . 12 1 1 A 94 94 VAL N N 91 119.330 122.075 -2.745 1
1 1101 . 12 1 1 A 95 95 LYS H H 92 8.271 8.644 -0.373 1
1 1102 . 12 1 1 A 95 95 LYS HA H 92 4.313 4.331 -0.018 1
1 1111 . 12 1 1 A 95 95 LYS CA C 92 56.078 58.308 -2.230 1
1 1112 . 12 1 1 A 95 95 LYS CB C 92 32.924 32.971 -0.047 1
1 1116 . 12 1 1 A 95 95 LYS N N 92 124.941 123.016 1.925 1
1 1117 . 12 1 1 A 96 96 ARG H H 93 8.317 7.849 0.468 1
1 1118 . 12 1 1 A 96 96 ARG HA H 93 4.360 4.566 -0.206 1
1 1125 . 12 1 1 A 96 96 ARG CA C 93 55.901 55.200 0.701 1
1 1126 . 12 1 1 A 96 96 ARG CB C 93 30.906 30.558 0.348 1
1 1129 . 12 1 1 A 96 96 ARG N N 93 122.918 114.479 8.439 1
1 1130 . 12 1 1 A 97 97 ILE H H 94 8.251 8.672 -0.421 1
1 1131 . 12 1 1 A 97 97 ILE HA H 94 4.184 4.442 -0.258 1
1 1141 . 12 1 1 A 97 97 ILE CA C 94 60.946 60.222 0.724 1
1 1142 . 12 1 1 A 97 97 ILE CB C 94 38.298 39.715 -1.417 1
1 1146 . 12 1 1 A 97 97 ILE N N 94 123.301 125.795 -2.494 1
1 1191 . 12 2 2 B 5 5 GLN H H 48 8.533 7.520 1.013 1
1 1192 . 12 2 2 B 5 5 GLN HA H 48 4.390 4.427 -0.037 1
1 1199 . 12 2 2 B 5 5 GLN C C 48 175.953 176.757 -0.804 1
1 1200 . 12 2 2 B 5 5 GLN CA C 48 55.760 55.301 0.459 1
1 1201 . 12 2 2 B 5 5 GLN CB C 48 29.225 29.626 -0.401 1
1 1203 . 12 2 2 B 5 5 GLN N N 48 122.121 118.370 3.751 1
1 1205 . 12 2 2 B 6 6 THR H H 49 8.281 8.844 -0.563 1
1 1206 . 12 2 2 B 6 6 THR HA H 49 4.316 4.083 0.233 1
1 1211 . 12 2 2 B 6 6 THR C C 49 174.156 174.483 -0.327 1
1 1212 . 12 2 2 B 6 6 THR CA C 49 61.724 63.020 -1.296 1
1 1213 . 12 2 2 B 6 6 THR CB C 49 69.452 66.602 2.850 1
1 1215 . 12 2 2 B 6 6 THR N N 49 116.639 116.661 -0.022 1
1 1216 . 12 2 2 B 7 7 LEU H H 50 8.328 7.873 0.455 1
1 1217 . 12 2 2 B 7 7 LEU HA H 50 4.381 4.456 -0.075 1
1 1227 . 12 2 2 B 7 7 LEU C C 50 176.985 175.253 1.732 1
1 1228 . 12 2 2 B 7 7 LEU CA C 50 55.093 54.388 0.705 1
1 1229 . 12 2 2 B 7 7 LEU CB C 50 42.122 40.746 1.376 1
1 1233 . 12 2 2 B 7 7 LEU N N 50 125.001 124.943 0.058 1
1 1234 . 12 2 2 B 8 8 LEU H H 51 8.264 8.391 -0.127 1
1 1235 . 12 2 2 B 8 8 LEU HA H 51 4.410 5.482 -1.072 1
1 1245 . 12 2 2 B 8 8 LEU C C 51 177.235 175.622 1.613 1
1 1246 . 12 2 2 B 8 8 LEU CA C 51 54.936 52.716 2.220 1
1 1247 . 12 2 2 B 8 8 LEU CB C 51 42.292 44.431 -2.139 1
1 1251 . 12 2 2 B 8 8 LEU N N 51 123.073 122.736 0.337 1
1 1252 . 12 2 2 B 9 9 SER H H 52 8.499 9.195 -0.696 1
1 1253 . 12 2 2 B 9 9 SER HA H 52 4.410 4.756 -0.346 1
1 1256 . 12 2 2 B 9 9 SER C C 52 174.083 173.559 0.524 1
1 1257 . 12 2 2 B 9 9 SER CA C 52 57.757 56.182 1.575 1
1 1258 . 12 2 2 B 9 9 SER CB C 52 63.734 65.374 -1.640 1
1 1259 . 12 2 2 B 9 9 SER N N 52 117.150 115.436 1.714 1
1 1260 . 12 2 2 B 10 10 ASP H H 53 8.416 8.770 -0.354 1
1 1261 . 12 2 2 B 10 10 ASP HA H 53 4.575 4.329 0.246 1
1 1264 . 12 2 2 B 10 10 ASP C C 53 176.911 177.879 -0.968 1
1 1265 . 12 2 2 B 10 10 ASP CA C 53 54.678 57.328 -2.650 1
1 1266 . 12 2 2 B 10 10 ASP CB C 53 40.771 40.542 0.229 1
1 1267 . 12 2 2 B 10 10 ASP N N 53 122.632 124.638 -2.006 1
1 1268 . 12 2 2 B 11 11 GLU H H 54 8.486 8.568 -0.082 1
1 1269 . 12 2 2 B 11 11 GLU HA H 54 4.155 4.040 0.115 1
1 1274 . 12 2 2 B 11 11 GLU C C 54 177.220 177.890 -0.670 1
1 1275 . 12 2 2 B 11 11 GLU CA C 54 58.488 59.342 -0.854 1
1 1276 . 12 2 2 B 11 11 GLU CB C 54 29.615 29.160 0.455 1
1 1278 . 12 2 2 B 11 11 GLU N N 54 121.842 117.224 4.618 1
1 1279 . 12 2 2 B 12 12 ASP H H 55 8.301 7.870 0.431 1
1 1280 . 12 2 2 B 12 12 ASP HA H 55 4.470 4.432 0.038 1
1 1283 . 12 2 2 B 12 12 ASP C C 55 177.161 178.364 -1.203 1
1 1284 . 12 2 2 B 12 12 ASP CA C 55 55.901 56.585 -0.684 1
1 1285 . 12 2 2 B 12 12 ASP CB C 55 40.503 40.591 -0.088 1
1 1286 . 12 2 2 B 12 12 ASP N N 55 120.309 120.273 0.036 1
1 1287 . 12 2 2 B 13 13 ALA H H 56 8.114 7.805 0.309 1
1 1288 . 12 2 2 B 13 13 ALA HA H 56 3.986 3.995 -0.009 1
1 1292 . 12 2 2 B 13 13 ALA C C 56 180.446 179.839 0.607 1
1 1293 . 12 2 2 B 13 13 ALA CA C 56 55.422 54.775 0.647 1
1 1294 . 12 2 2 B 13 13 ALA CB C 56 18.001 18.255 -0.254 1
1 1295 . 12 2 2 B 13 13 ALA N N 56 122.864 122.203 0.661 1
1 1296 . 12 2 2 B 14 14 GLU H H 57 8.105 7.383 0.722 1
1 1297 . 12 2 2 B 14 14 GLU HA H 57 4.010 4.127 -0.117 1
1 1302 . 12 2 2 B 14 14 GLU C C 57 178.914 178.959 -0.045 1
1 1303 . 12 2 2 B 14 14 GLU CA C 57 59.175 58.415 0.760 1
1 1304 . 12 2 2 B 14 14 GLU CB C 57 28.904 29.668 -0.764 1
1 1306 . 12 2 2 B 14 14 GLU N N 57 117.931 117.930 0.001 1
1 1307 . 12 2 2 B 15 15 LEU H H 58 7.813 7.996 -0.183 1
1 1308 . 12 2 2 B 15 15 LEU HA H 58 4.062 4.025 0.037 1
1 1318 . 12 2 2 B 15 15 LEU C C 58 178.634 179.630 -0.996 1
1 1319 . 12 2 2 B 15 15 LEU CA C 58 56.960 58.118 -1.158 1
1 1320 . 12 2 2 B 15 15 LEU CB C 58 41.973 41.575 0.398 1
1 1324 . 12 2 2 B 15 15 LEU N N 58 119.867 120.215 -0.348 1
1 1325 . 12 2 2 B 16 16 VAL H H 59 8.491 7.904 0.587 1
1 1326 . 12 2 2 B 16 16 VAL HA H 59 3.365 3.910 -0.545 1
1 1334 . 12 2 2 B 16 16 VAL C C 59 177.147 177.612 -0.465 1
1 1335 . 12 2 2 B 16 16 VAL CA C 59 67.142 65.343 1.799 1
1 1336 . 12 2 2 B 16 16 VAL CB C 59 31.176 31.225 -0.049 1
1 1339 . 12 2 2 B 16 16 VAL N N 59 118.357 115.256 3.101 1
1 1340 . 12 2 2 B 17 17 GLU H H 60 7.411 7.934 -0.523 1
1 1341 . 12 2 2 B 17 17 GLU HA H 60 4.015 4.111 -0.096 1
1 1346 . 12 2 2 B 17 17 GLU C C 60 179.636 178.916 0.720 1
1 1347 . 12 2 2 B 17 17 GLU CA C 60 59.203 59.080 0.123 1
1 1348 . 12 2 2 B 17 17 GLU CB C 60 28.970 29.345 -0.375 1
1 1350 . 12 2 2 B 17 17 GLU N N 60 117.103 120.658 -3.555 1
1 1351 . 12 2 2 B 18 18 ILE H H 61 7.574 7.906 -0.332 1
1 1352 . 12 2 2 B 18 18 ILE HA H 61 3.830 3.693 0.137 1
1 1362 . 12 2 2 B 18 18 ILE C C 61 178.001 178.136 -0.135 1
1 1363 . 12 2 2 B 18 18 ILE CA C 61 63.982 64.679 -0.697 1
1 1364 . 12 2 2 B 18 18 ILE CB C 61 38.483 37.546 0.937 1
1 1368 . 12 2 2 B 18 18 ILE N N 61 120.727 121.472 -0.745 1
1 1369 . 12 2 2 B 19 19 VAL H H 62 8.294 8.091 0.203 1
1 1370 . 12 2 2 B 19 19 VAL HA H 62 3.360 3.737 -0.377 1
1 1378 . 12 2 2 B 19 19 VAL C C 62 177.338 177.618 -0.280 1
1 1379 . 12 2 2 B 19 19 VAL CA C 62 66.364 65.429 0.935 1
1 1380 . 12 2 2 B 19 19 VAL CB C 62 31.203 31.340 -0.137 1
1 1383 . 12 2 2 B 19 19 VAL N N 62 119.635 121.032 -1.397 1
1 1384 . 12 2 2 B 20 20 LYS H H 63 8.780 7.832 0.948 1
1 1385 . 12 2 2 B 20 20 LYS HA H 63 3.784 4.034 -0.250 1
1 1394 . 12 2 2 B 20 20 LYS C C 63 179.209 178.803 0.406 1
1 1395 . 12 2 2 B 20 20 LYS CA C 63 60.096 58.767 1.329 1
1 1396 . 12 2 2 B 20 20 LYS CB C 63 32.673 31.697 0.976 1
1 1400 . 12 2 2 B 20 20 LYS N N 63 118.009 120.558 -2.549 1
1 1401 . 12 2 2 B 21 21 GLU H H 64 7.567 7.946 -0.379 1
1 1402 . 12 2 2 B 21 21 GLU HA H 64 4.084 4.067 0.017 1
1 1407 . 12 2 2 B 21 21 GLU C C 64 179.592 179.279 0.313 1
1 1408 . 12 2 2 B 21 21 GLU CA C 64 58.728 59.429 -0.701 1
1 1409 . 12 2 2 B 21 21 GLU CB C 64 28.974 29.168 -0.194 1
1 1411 . 12 2 2 B 21 21 GLU N N 64 117.452 119.755 -2.303 1
1 1412 . 12 2 2 B 22 22 ARG H H 65 8.156 7.870 0.286 1
1 1413 . 12 2 2 B 22 22 ARG HA H 65 4.053 4.134 -0.081 1
1 1420 . 12 2 2 B 22 22 ARG C C 65 177.986 178.998 -1.012 1
1 1421 . 12 2 2 B 22 22 ARG CA C 65 61.243 58.663 2.580 1
1 1422 . 12 2 2 B 22 22 ARG CB C 65 29.980 30.039 -0.059 1
1 1425 . 12 2 2 B 22 22 ARG N N 65 119.635 119.433 0.202 1
1 1426 . 12 2 2 B 23 23 LEU H H 66 8.436 8.106 0.330 1
1 1427 . 12 2 2 B 23 23 LEU HA H 66 4.106 4.142 -0.036 1
1 1437 . 12 2 2 B 23 23 LEU C C 66 178.620 178.645 -0.025 1
1 1438 . 12 2 2 B 23 23 LEU CA C 66 56.667 56.947 -0.280 1
1 1439 . 12 2 2 B 23 23 LEU CB C 66 41.465 41.431 0.034 1
1 1443 . 12 2 2 B 23 23 LEU N N 66 115.686 122.034 -6.348 1
1 1444 . 12 2 2 B 24 24 ARG H H 67 7.404 8.202 -0.798 1
1 1445 . 12 2 2 B 24 24 ARG HA H 67 4.165 4.187 -0.022 1
1 1452 . 12 2 2 B 24 24 ARG C C 67 177.147 176.235 0.912 1
1 1453 . 12 2 2 B 24 24 ARG CA C 67 59.004 57.785 1.219 1
1 1454 . 12 2 2 B 24 24 ARG CB C 67 30.472 29.188 1.284 1
1 1457 . 12 2 2 B 24 24 ARG N N 67 118.427 116.540 1.887 1
1 1458 . 12 2 2 B 25 25 ASN H H 68 7.322 7.762 -0.440 1
1 1459 . 12 2 2 B 25 25 ASN HA H 68 5.064 5.025 0.039 1
1 1464 . 12 2 2 B 25 25 ASN CA C 68 51.014 51.099 -0.085 1
1 1465 . 12 2 2 B 25 25 ASN CB C 68 38.696 38.796 -0.100 1
1 1466 . 12 2 2 B 25 25 ASN N N 68 114.083 117.511 -3.428 1
1 1468 . 12 2 2 B 26 26 PRO HA H 69 4.521 4.542 -0.021 1
1 1475 . 12 2 2 B 26 26 PRO C C 69 177.323 176.917 0.406 1
1 1476 . 12 2 2 B 26 26 PRO CA C 69 63.698 65.268 -1.570 1
1 1477 . 12 2 2 B 26 26 PRO CB C 69 33.286 31.805 1.481 1
1 1480 . 12 2 2 B 27 27 LYS H H 70 8.672 7.960 0.712 1
1 1481 . 12 2 2 B 27 27 LYS HA H 70 4.980 3.955 1.025 1
1 1490 . 12 2 2 B 27 27 LYS CA C 70 52.767 56.567 -3.800 1
1 1491 . 12 2 2 B 27 27 LYS CB C 70 33.540 31.069 2.471 1
1 1495 . 12 2 2 B 27 27 LYS N N 70 121.210 115.414 5.796 1
1 1496 . 12 2 2 B 28 28 PRO HA H 71 4.467 4.792 -0.325 1
1 1503 . 12 2 2 B 28 28 PRO C C 71 177.235 175.862 1.373 1
1 1504 . 12 2 2 B 28 28 PRO CA C 71 63.859 62.175 1.684 1
1 1505 . 12 2 2 B 28 28 PRO CB C 71 32.632 32.572 0.060 1
1 1508 . 12 2 2 B 29 29 VAL H H 72 9.036 8.562 0.474 1
1 1509 . 12 2 2 B 29 29 VAL HA H 72 4.155 4.396 -0.241 1
1 1517 . 12 2 2 B 29 29 VAL C C 72 174.554 175.319 -0.765 1
1 1518 . 12 2 2 B 29 29 VAL CA C 72 61.506 60.999 0.507 1
1 1519 . 12 2 2 B 29 29 VAL CB C 72 34.764 33.336 1.428 1
1 1522 . 12 2 2 B 29 29 VAL N N 72 124.322 123.519 0.803 1
1 1523 . 12 2 2 B 30 30 ARG H H 73 8.437 8.656 -0.219 1
1 1524 . 12 2 2 B 30 30 ARG HA H 73 5.195 4.436 0.759 1
1 1531 . 12 2 2 B 30 30 ARG C C 73 176.248 176.053 0.195 1
1 1532 . 12 2 2 B 30 30 ARG CA C 73 55.189 56.911 -1.722 1
1 1533 . 12 2 2 B 30 30 ARG CB C 73 27.764 30.672 -2.908 1
1 1536 . 12 2 2 B 30 30 ARG N N 73 129.461 128.266 1.195 1
1 1537 . 12 2 2 B 31 31 VAL H H 74 8.822 8.823 -0.001 1
1 1538 . 12 2 2 B 31 31 VAL HA H 74 4.889 5.084 -0.195 1
1 1546 . 12 2 2 B 31 31 VAL C C 74 173.965 173.913 0.052 1
1 1547 . 12 2 2 B 31 31 VAL CA C 74 59.055 59.157 -0.102 1
1 1548 . 12 2 2 B 31 31 VAL CB C 74 35.653 36.381 -0.728 1
1 1551 . 12 2 2 B 31 31 VAL N N 74 123.375 119.555 3.820 1
1 1552 . 12 2 2 B 32 32 THR H H 75 7.855 8.364 -0.509 1
1 1553 . 12 2 2 B 32 32 THR HA H 75 4.730 5.071 -0.341 1
1 1558 . 12 2 2 B 32 32 THR C C 75 175.865 175.392 0.473 1
1 1559 . 12 2 2 B 32 32 THR CA C 75 59.052 59.160 -0.108 1
1 1560 . 12 2 2 B 32 32 THR CB C 75 71.228 71.946 -0.718 1
1 1562 . 12 2 2 B 32 32 THR N N 75 109.507 111.053 -1.546 1
1 1563 . 12 2 2 B 33 33 LEU H H 76 8.841 8.963 -0.122 1
1 1564 . 12 2 2 B 33 33 LEU HA H 76 3.773 4.018 -0.245 1
1 1574 . 12 2 2 B 33 33 LEU C C 76 178.737 178.735 0.002 1
1 1575 . 12 2 2 B 33 33 LEU CA C 76 57.892 57.767 0.125 1
1 1576 . 12 2 2 B 33 33 LEU CB C 76 41.057 41.489 -0.432 1
1 1580 . 12 2 2 B 33 33 LEU N N 76 121.099 122.597 -1.498 1
1 1581 . 12 2 2 B 34 34 ASP H H 77 7.983 8.421 -0.438 1
1 1582 . 12 2 2 B 34 34 ASP HA H 77 4.431 4.300 0.131 1
1 1585 . 12 2 2 B 34 34 ASP C C 77 177.088 177.997 -0.909 1
1 1586 . 12 2 2 B 34 34 ASP CA C 77 55.837 57.772 -1.935 1
1 1587 . 12 2 2 B 34 34 ASP CB C 77 40.498 41.390 -0.892 1
1 1588 . 12 2 2 B 34 34 ASP N N 77 113.851 119.935 -6.084 1
1 1589 . 12 2 2 B 35 35 GLU H H 78 7.561 8.252 -0.691 1
1 1590 . 12 2 2 B 35 35 GLU HA H 78 4.320 4.275 0.045 1
1 1595 . 12 2 2 B 35 35 GLU C C 78 175.482 176.678 -1.196 1
1 1596 . 12 2 2 B 35 35 GLU CA C 78 55.918 57.130 -1.212 1
1 1597 . 12 2 2 B 35 35 GLU CB C 78 30.767 29.765 1.002 1
1 1599 . 12 2 2 B 35 35 GLU N N 78 117.508 115.852 1.656 1
1 15 . 13 1 1 A 5 5 ALA H H 2 8.098 8.578 -0.480 1
1 16 . 13 1 1 A 5 5 ALA HA H 2 4.389 4.140 0.249 1
1 20 . 13 1 1 A 5 5 ALA CA C 2 51.852 54.896 -3.044 1
1 21 . 13 1 1 A 5 5 ALA CB C 2 19.420 19.080 0.340 1
1 22 . 13 1 1 A 5 5 ALA N N 2 125.572 125.560 0.012 1
1 23 . 13 1 1 A 6 6 TYR H H 3 8.402 7.969 0.433 1
1 24 . 13 1 1 A 6 6 TYR HA H 3 4.236 4.605 -0.369 1
1 31 . 13 1 1 A 6 6 TYR CA C 3 57.802 57.468 0.334 1
1 32 . 13 1 1 A 6 6 TYR CB C 3 39.608 39.531 0.077 1
1 35 . 13 1 1 A 6 6 TYR N N 3 120.730 114.879 5.851 1
1 36 . 13 1 1 A 7 7 PHE H H 4 8.958 9.005 -0.047 1
1 37 . 13 1 1 A 7 7 PHE HA H 4 4.509 4.796 -0.287 1
1 45 . 13 1 1 A 7 7 PHE CA C 4 57.936 58.061 -0.125 1
1 46 . 13 1 1 A 7 7 PHE CB C 4 40.613 39.719 0.894 1
1 50 . 13 1 1 A 7 7 PHE N N 4 118.436 121.978 -3.542 1
1 51 . 13 1 1 A 8 8 LEU H H 5 8.711 8.705 0.006 1
1 52 . 13 1 1 A 8 8 LEU HA H 5 5.336 5.331 0.005 1
1 62 . 13 1 1 A 8 8 LEU CA C 5 53.391 53.707 -0.316 1
1 63 . 13 1 1 A 8 8 LEU CB C 5 44.716 45.580 -0.864 1
1 67 . 13 1 1 A 8 8 LEU N N 5 122.810 122.229 0.581 1
1 68 . 13 1 1 A 9 9 ASP H H 6 9.145 8.977 0.168 1
1 69 . 13 1 1 A 9 9 ASP HA H 6 5.999 5.607 0.392 1
1 72 . 13 1 1 A 9 9 ASP CA C 6 51.759 53.115 -1.356 1
1 73 . 13 1 1 A 9 9 ASP CB C 6 44.757 44.919 -0.162 1
1 74 . 13 1 1 A 9 9 ASP N N 6 124.570 125.814 -1.244 1
1 75 . 13 1 1 A 10 10 PHE H H 7 9.884 9.433 0.451 1
1 76 . 13 1 1 A 10 10 PHE HA H 7 5.231 5.202 0.029 1
1 83 . 13 1 1 A 10 10 PHE CA C 7 55.321 56.836 -1.515 1
1 84 . 13 1 1 A 10 10 PHE CB C 7 42.863 42.339 0.524 1
1 88 . 13 1 1 A 10 10 PHE N N 7 123.156 120.418 2.738 1
1 89 . 13 1 1 A 11 11 ASP H H 8 8.986 8.581 0.405 1
1 90 . 13 1 1 A 11 11 ASP HA H 8 4.924 4.747 0.177 1
1 93 . 13 1 1 A 11 11 ASP CA C 8 55.122 55.077 0.045 1
1 94 . 13 1 1 A 11 11 ASP CB C 8 44.453 42.568 1.885 1
1 95 . 13 1 1 A 11 11 ASP N N 8 123.103 124.561 -1.458 1
1 96 . 13 1 1 A 12 12 GLU H H 9 9.685 8.981 0.704 1
1 97 . 13 1 1 A 12 12 GLU HA H 9 3.984 4.072 -0.088 1
1 102 . 13 1 1 A 12 12 GLU CA C 9 60.974 59.535 1.439 1
1 103 . 13 1 1 A 12 12 GLU CB C 9 31.222 29.335 1.887 1
1 105 . 13 1 1 A 12 12 GLU N N 9 128.730 125.695 3.035 1
1 106 . 13 1 1 A 13 13 ARG H H 10 9.626 8.041 1.585 1
1 107 . 13 1 1 A 13 13 ARG HA H 10 4.063 4.024 0.039 1
1 114 . 13 1 1 A 13 13 ARG CA C 10 59.013 59.082 -0.069 1
1 115 . 13 1 1 A 13 13 ARG CB C 10 30.124 30.058 0.066 1
1 118 . 13 1 1 A 13 13 ARG N N 10 117.930 120.050 -2.120 1
1 119 . 13 1 1 A 14 14 ALA H H 11 7.268 8.543 -1.275 1
1 120 . 13 1 1 A 14 14 ALA HA H 11 5.323 4.219 1.104 1
1 124 . 13 1 1 A 14 14 ALA CA C 11 53.013 55.115 -2.102 1
1 125 . 13 1 1 A 14 14 ALA CB C 11 18.072 18.787 -0.715 1
1 126 . 13 1 1 A 14 14 ALA N N 11 122.063 122.337 -0.274 1
1 127 . 13 1 1 A 15 15 LEU H H 12 8.773 8.052 0.721 1
1 128 . 13 1 1 A 15 15 LEU HA H 12 4.318 2.998 1.320 1
1 138 . 13 1 1 A 15 15 LEU CA C 12 57.404 57.623 -0.219 1
1 139 . 13 1 1 A 15 15 LEU CB C 12 41.842 41.135 0.707 1
1 143 . 13 1 1 A 15 15 LEU N N 12 121.956 118.742 3.214 1
1 144 . 13 1 1 A 16 16 LYS H H 13 7.515 7.624 -0.109 1
1 145 . 13 1 1 A 16 16 LYS HA H 13 4.099 3.918 0.181 1
1 154 . 13 1 1 A 16 16 LYS CA C 13 59.837 58.641 1.196 1
1 155 . 13 1 1 A 16 16 LYS CB C 13 32.297 32.309 -0.012 1
1 159 . 13 1 1 A 16 16 LYS N N 13 118.250 117.301 0.949 1
1 160 . 13 1 1 A 17 17 GLU H H 14 7.416 7.921 -0.505 1
1 161 . 13 1 1 A 17 17 GLU HA H 14 3.959 4.157 -0.198 1
1 166 . 13 1 1 A 17 17 GLU CA C 14 59.458 58.852 0.606 1
1 167 . 13 1 1 A 17 17 GLU CB C 14 29.644 29.661 -0.017 1
1 169 . 13 1 1 A 17 17 GLU N N 14 118.330 117.984 0.346 1
1 170 . 13 1 1 A 18 18 TRP H H 15 9.095 7.316 1.779 1
1 171 . 13 1 1 A 18 18 TRP HA H 15 4.013 4.661 -0.648 1
1 178 . 13 1 1 A 18 18 TRP CA C 15 60.476 58.385 2.091 1
1 179 . 13 1 1 A 18 18 TRP CB C 15 29.644 29.356 0.288 1
1 182 . 13 1 1 A 18 18 TRP N N 15 121.770 119.982 1.788 1
1 183 . 13 1 1 A 19 19 ARG H H 16 8.060 7.187 0.873 1
1 184 . 13 1 1 A 19 19 ARG HA H 16 4.030 4.222 -0.192 1
1 191 . 13 1 1 A 19 19 ARG CA C 16 57.993 57.414 0.579 1
1 192 . 13 1 1 A 19 19 ARG CB C 16 29.948 29.610 0.338 1
1 195 . 13 1 1 A 19 19 ARG N N 16 113.396 120.278 -6.882 1
1 196 . 13 1 1 A 20 20 LYS H H 17 7.274 8.058 -0.784 1
1 197 . 13 1 1 A 20 20 LYS HA H 17 4.311 4.359 -0.048 1
1 206 . 13 1 1 A 20 20 LYS CA C 17 57.183 57.604 -0.421 1
1 207 . 13 1 1 A 20 20 LYS CB C 17 32.106 33.172 -1.066 1
1 211 . 13 1 1 A 20 20 LYS N N 17 116.232 114.485 1.747 1
1 212 . 13 1 1 A 21 21 LEU H H 18 7.359 7.282 0.077 1
1 213 . 13 1 1 A 21 21 LEU HA H 18 4.074 4.855 -0.781 1
1 223 . 13 1 1 A 21 21 LEU CA C 18 54.367 53.063 1.304 1
1 224 . 13 1 1 A 21 21 LEU CB C 18 43.185 44.600 -1.415 1
1 228 . 13 1 1 A 21 21 LEU N N 18 119.903 117.027 2.876 1
1 229 . 13 1 1 A 22 22 GLY H H 19 8.455 8.250 0.205 1
1 230 . 13 1 1 A 22 22 GLY HA2 H 19 4.103 4.040 0.063 1
1 231 . 13 1 1 A 22 22 GLY HA3 H 19 3.888 4.074 -0.186 1
1 232 . 13 1 1 A 22 22 GLY CA C 19 44.739 45.475 -0.736 1
1 233 . 13 1 1 A 22 22 GLY N N 19 108.063 107.254 0.809 1
1 234 . 13 1 1 A 23 23 SER H H 20 8.711 8.855 -0.144 1
1 235 . 13 1 1 A 23 23 SER HA H 20 4.422 4.146 0.276 1
1 238 . 13 1 1 A 23 23 SER CA C 20 58.325 62.705 -4.380 1
1 239 . 13 1 1 A 23 23 SER CB C 20 63.754 63.054 0.700 1
1 240 . 13 1 1 A 23 23 SER N N 20 117.509 117.458 0.051 1
1 241 . 13 1 1 A 24 24 THR H H 21 8.273 7.935 0.338 1
1 242 . 13 1 1 A 24 24 THR HA H 21 4.026 4.425 -0.399 1
1 247 . 13 1 1 A 24 24 THR CA C 21 65.605 65.933 -0.328 1
1 248 . 13 1 1 A 24 24 THR CB C 21 68.013 68.245 -0.232 1
1 250 . 13 1 1 A 24 24 THR N N 21 116.047 117.985 -1.938 1
1 251 . 13 1 1 A 25 25 VAL H H 22 7.075 7.890 -0.815 1
1 252 . 13 1 1 A 25 25 VAL HA H 22 3.507 3.445 0.062 1
1 260 . 13 1 1 A 25 25 VAL CA C 22 65.475 66.885 -1.410 1
1 261 . 13 1 1 A 25 25 VAL CB C 22 31.319 30.977 0.342 1
1 264 . 13 1 1 A 25 25 VAL N N 22 122.543 121.359 1.184 1
1 265 . 13 1 1 A 26 26 ARG H H 23 7.781 7.649 0.132 1
1 266 . 13 1 1 A 26 26 ARG HA H 23 3.116 4.063 -0.947 1
1 273 . 13 1 1 A 26 26 ARG CA C 23 60.215 57.888 2.327 1
1 274 . 13 1 1 A 26 26 ARG CB C 23 30.555 29.371 1.184 1
1 277 . 13 1 1 A 26 26 ARG N N 23 118.490 119.099 -0.609 1
1 278 . 13 1 1 A 27 27 GLU H H 24 8.107 8.035 0.072 1
1 279 . 13 1 1 A 27 27 GLU HA H 24 4.031 4.081 -0.050 1
1 284 . 13 1 1 A 27 27 GLU CA C 24 59.421 59.025 0.396 1
1 285 . 13 1 1 A 27 27 GLU CB C 24 29.126 29.278 -0.152 1
1 287 . 13 1 1 A 27 27 GLU N N 24 116.756 118.815 -2.059 1
1 288 . 13 1 1 A 28 28 GLN H H 25 7.760 7.710 0.050 1
1 289 . 13 1 1 A 28 28 GLN HA H 25 4.097 4.029 0.068 1
1 296 . 13 1 1 A 28 28 GLN CA C 25 59.055 58.642 0.413 1
1 297 . 13 1 1 A 28 28 GLN CB C 25 29.925 28.461 1.464 1
1 299 . 13 1 1 A 28 28 GLN N N 25 118.410 119.951 -1.541 1
1 301 . 13 1 1 A 29 29 LEU H H 26 8.631 8.208 0.423 1
1 302 . 13 1 1 A 29 29 LEU HA H 26 4.145 3.876 0.269 1
1 312 . 13 1 1 A 29 29 LEU CA C 26 57.929 57.886 0.043 1
1 313 . 13 1 1 A 29 29 LEU CB C 26 42.787 41.510 1.277 1
1 317 . 13 1 1 A 29 29 LEU N N 26 119.716 120.406 -0.690 1
1 318 . 13 1 1 A 30 30 LYS H H 27 9.183 7.864 1.319 1
1 319 . 13 1 1 A 30 30 LYS HA H 27 3.981 3.961 0.020 1
1 328 . 13 1 1 A 30 30 LYS CA C 27 61.364 59.625 1.739 1
1 329 . 13 1 1 A 30 30 LYS CB C 27 32.137 31.882 0.255 1
1 333 . 13 1 1 A 30 30 LYS N N 27 120.836 117.638 3.198 1
1 334 . 13 1 1 A 31 31 LYS H H 28 7.580 7.499 0.081 1
1 335 . 13 1 1 A 31 31 LYS HA H 28 4.050 4.087 -0.037 1
1 344 . 13 1 1 A 31 31 LYS CA C 28 59.586 59.565 0.021 1
1 345 . 13 1 1 A 31 31 LYS CB C 28 32.373 32.177 0.196 1
1 349 . 13 1 1 A 31 31 LYS N N 28 116.783 119.516 -2.733 1
1 350 . 13 1 1 A 32 32 LYS H H 29 7.300 7.598 -0.298 1
1 351 . 13 1 1 A 32 32 LYS HA H 29 4.090 4.101 -0.011 1
1 360 . 13 1 1 A 32 32 LYS CA C 29 57.130 58.527 -1.397 1
1 361 . 13 1 1 A 32 32 LYS N N 29 116.383 119.516 -3.133 1
1 362 . 13 1 1 A 33 33 LEU H H 30 8.722 7.926 0.796 1
1 363 . 13 1 1 A 33 33 LEU HA H 30 3.881 4.009 -0.128 1
1 373 . 13 1 1 A 33 33 LEU CA C 30 57.634 57.340 0.294 1
1 374 . 13 1 1 A 33 33 LEU CB C 30 42.116 41.720 0.396 1
1 378 . 13 1 1 A 33 33 LEU N N 30 121.770 120.076 1.694 1
1 379 . 13 1 1 A 34 34 VAL H H 31 8.067 7.927 0.140 1
1 380 . 13 1 1 A 34 34 VAL HA H 31 3.479 3.820 -0.341 1
1 388 . 13 1 1 A 34 34 VAL CA C 31 66.847 64.529 2.318 1
1 389 . 13 1 1 A 34 34 VAL CB C 31 31.860 31.619 0.241 1
1 392 . 13 1 1 A 34 34 VAL N N 31 118.116 119.035 -0.919 1
1 393 . 13 1 1 A 35 35 GLU H H 32 6.825 8.191 -1.366 1
1 394 . 13 1 1 A 35 35 GLU HA H 32 4.090 4.176 -0.086 1
1 399 . 13 1 1 A 35 35 GLU CA C 32 58.624 58.314 0.310 1
1 400 . 13 1 1 A 35 35 GLU CB C 32 29.746 29.744 0.002 1
1 402 . 13 1 1 A 35 35 GLU N N 32 116.570 120.066 -3.496 1
1 403 . 13 1 1 A 36 36 VAL H H 33 7.785 7.467 0.318 1
1 404 . 13 1 1 A 36 36 VAL HA H 33 3.484 3.728 -0.244 1
1 412 . 13 1 1 A 36 36 VAL CA C 33 65.213 64.434 0.779 1
1 413 . 13 1 1 A 36 36 VAL CB C 33 31.932 31.155 0.777 1
1 416 . 13 1 1 A 36 36 VAL N N 33 120.618 120.249 0.369 1
1 417 . 13 1 1 A 37 37 LEU H H 34 7.956 7.853 0.103 1
1 418 . 13 1 1 A 37 37 LEU HA H 34 3.747 4.034 -0.287 1
1 428 . 13 1 1 A 37 37 LEU CA C 34 57.069 56.502 0.567 1
1 429 . 13 1 1 A 37 37 LEU CB C 34 40.916 41.576 -0.660 1
1 433 . 13 1 1 A 37 37 LEU N N 34 115.476 121.215 -5.739 1
1 434 . 13 1 1 A 38 38 GLU H H 35 7.042 7.986 -0.944 1
1 435 . 13 1 1 A 38 38 GLU HA H 35 4.395 4.349 0.046 1
1 440 . 13 1 1 A 38 38 GLU CA C 35 57.553 57.850 -0.297 1
1 441 . 13 1 1 A 38 38 GLU CB C 35 30.234 31.026 -0.792 1
1 443 . 13 1 1 A 38 38 GLU N N 35 114.356 120.003 -5.647 1
1 444 . 13 1 1 A 39 39 SER H H 36 7.125 7.487 -0.362 1
1 445 . 13 1 1 A 39 39 SER HA H 36 4.593 4.753 -0.160 1
1 448 . 13 1 1 A 39 39 SER CA C 36 55.308 55.201 0.107 1
1 449 . 13 1 1 A 39 39 SER CB C 36 62.305 63.142 -0.837 1
1 450 . 13 1 1 A 39 39 SER N N 36 109.796 109.736 0.060 1
1 451 . 13 1 1 A 40 40 PRO HA H 37 4.360 4.478 -0.118 1
1 458 . 13 1 1 A 40 40 PRO CA C 37 64.802 63.591 1.211 1
1 459 . 13 1 1 A 40 40 PRO CB C 37 32.562 32.348 0.214 1
1 462 . 13 1 1 A 41 41 ARG H H 38 8.356 8.115 0.241 1
1 463 . 13 1 1 A 41 41 ARG HA H 38 3.271 4.241 -0.970 1
1 470 . 13 1 1 A 41 41 ARG CA C 38 56.364 55.251 1.113 1
1 471 . 13 1 1 A 41 41 ARG CB C 38 29.580 29.886 -0.306 1
1 474 . 13 1 1 A 41 41 ARG N N 38 120.882 119.221 1.661 1
1 475 . 13 1 1 A 42 42 ILE H H 39 5.973 7.297 -1.324 1
1 476 . 13 1 1 A 42 42 ILE HA H 39 4.216 4.491 -0.275 1
1 486 . 13 1 1 A 42 42 ILE CA C 39 60.301 60.364 -0.063 1
1 487 . 13 1 1 A 42 42 ILE CB C 39 38.705 39.269 -0.564 1
1 491 . 13 1 1 A 42 42 ILE N N 39 127.866 125.212 2.654 1
1 492 . 13 1 1 A 43 43 GLU H H 40 8.860 8.938 -0.078 1
1 493 . 13 1 1 A 43 43 GLU HA H 40 4.218 4.406 -0.188 1
1 498 . 13 1 1 A 43 43 GLU CA C 40 59.945 58.474 1.471 1
1 499 . 13 1 1 A 43 43 GLU CB C 40 29.040 28.561 0.479 1
1 501 . 13 1 1 A 43 43 GLU N N 40 129.498 126.540 2.958 1
1 502 . 13 1 1 A 44 44 ALA H H 41 8.827 7.493 1.334 1
1 503 . 13 1 1 A 44 44 ALA HA H 41 4.241 4.185 0.056 1
1 507 . 13 1 1 A 44 44 ALA CA C 41 54.035 53.536 0.499 1
1 508 . 13 1 1 A 44 44 ALA CB C 41 18.466 18.489 -0.023 1
1 509 . 13 1 1 A 44 44 ALA N N 41 119.919 123.164 -3.245 1
1 510 . 13 1 1 A 45 45 ASN H H 42 8.184 7.986 0.198 1
1 511 . 13 1 1 A 45 45 ASN HA H 42 5.082 4.878 0.204 1
1 516 . 13 1 1 A 45 45 ASN CA C 42 51.401 53.145 -1.744 1
1 517 . 13 1 1 A 45 45 ASN CB C 42 38.684 39.787 -1.103 1
1 518 . 13 1 1 A 45 45 ASN N N 42 114.675 114.492 0.183 1
1 520 . 13 1 1 A 46 46 LYS H H 43 7.515 7.460 0.055 1
1 521 . 13 1 1 A 46 46 LYS HA H 43 3.741 4.592 -0.851 1
1 530 . 13 1 1 A 46 46 LYS CA C 43 57.354 56.282 1.072 1
1 531 . 13 1 1 A 46 46 LYS CB C 43 32.905 32.683 0.222 1
1 535 . 13 1 1 A 46 46 LYS N N 43 122.167 118.637 3.530 1
1 536 . 13 1 1 A 47 47 LEU H H 44 8.184 8.501 -0.317 1
1 537 . 13 1 1 A 47 47 LEU HA H 44 4.297 4.480 -0.183 1
1 547 . 13 1 1 A 47 47 LEU CA C 44 53.422 54.191 -0.769 1
1 548 . 13 1 1 A 47 47 LEU CB C 44 42.208 42.080 0.128 1
1 552 . 13 1 1 A 47 47 LEU N N 44 127.544 122.980 4.564 1
1 553 . 13 1 1 A 48 48 ARG H H 45 8.706 8.938 -0.232 1
1 554 . 13 1 1 A 48 48 ARG HA H 45 3.918 4.062 -0.144 1
1 561 . 13 1 1 A 48 48 ARG CA C 45 57.765 59.498 -1.733 1
1 562 . 13 1 1 A 48 48 ARG CB C 45 29.686 30.333 -0.647 1
1 565 . 13 1 1 A 48 48 ARG N N 45 128.641 123.502 5.139 1
1 566 . 13 1 1 A 49 49 GLY H H 46 8.543 8.131 0.412 1
1 567 . 13 1 1 A 49 49 GLY HA2 H 46 4.129 3.951 0.178 1
1 568 . 13 1 1 A 49 49 GLY HA3 H 46 3.662 3.952 -0.290 1
1 569 . 13 1 1 A 49 49 GLY CA C 46 44.981 45.623 -0.642 1
1 570 . 13 1 1 A 49 49 GLY N N 46 110.474 107.113 3.361 1
1 571 . 13 1 1 A 50 50 MET H H 47 7.404 7.661 -0.257 1
1 572 . 13 1 1 A 50 50 MET HA H 47 5.226 4.859 0.367 1
1 580 . 13 1 1 A 50 50 MET CA C 47 50.824 52.444 -1.620 1
1 581 . 13 1 1 A 50 50 MET CB C 47 33.186 34.316 -1.130 1
1 584 . 13 1 1 A 50 50 MET N N 47 118.742 119.364 -0.622 1
1 585 . 13 1 1 A 51 51 PRO HA H 48 4.344 4.308 0.036 1
1 592 . 13 1 1 A 51 51 PRO CA C 48 63.591 63.736 -0.145 1
1 593 . 13 1 1 A 51 51 PRO CB C 48 31.942 32.181 -0.239 1
1 596 . 13 1 1 A 52 52 ASP H H 49 8.703 8.655 0.048 1
1 597 . 13 1 1 A 52 52 ASP HA H 49 4.392 4.003 0.389 1
1 600 . 13 1 1 A 52 52 ASP CA C 49 56.244 55.696 0.548 1
1 601 . 13 1 1 A 52 52 ASP N N 49 116.361 115.386 0.975 1
1 602 . 13 1 1 A 53 53 CYS H H 50 7.456 7.295 0.161 1
1 603 . 13 1 1 A 53 53 CYS HA H 50 5.799 4.767 1.032 1
1 606 . 13 1 1 A 53 53 CYS CA C 50 58.147 56.923 1.224 1
1 607 . 13 1 1 A 53 53 CYS CB C 50 30.953 29.468 1.485 1
1 608 . 13 1 1 A 53 53 CYS N N 50 114.086 117.546 -3.460 1
1 609 . 13 1 1 A 54 54 TYR H H 51 8.939 8.527 0.412 1
1 610 . 13 1 1 A 54 54 TYR HA H 51 4.662 5.213 -0.551 1
1 617 . 13 1 1 A 54 54 TYR CA C 51 56.444 56.101 0.343 1
1 618 . 13 1 1 A 54 54 TYR CB C 51 43.000 43.249 -0.249 1
1 620 . 13 1 1 A 54 54 TYR N N 51 120.722 120.621 0.101 1
1 621 . 13 1 1 A 55 55 LYS H H 52 8.665 8.899 -0.234 1
1 622 . 13 1 1 A 55 55 LYS HA H 52 5.456 5.264 0.192 1
1 631 . 13 1 1 A 55 55 LYS CA C 52 53.968 54.598 -0.630 1
1 632 . 13 1 1 A 55 55 LYS CB C 52 36.126 35.283 0.843 1
1 636 . 13 1 1 A 55 55 LYS N N 52 117.297 118.683 -1.386 1
1 637 . 13 1 1 A 56 56 ILE H H 53 9.272 9.063 0.209 1
1 638 . 13 1 1 A 56 56 ILE HA H 53 4.428 4.976 -0.548 1
1 648 . 13 1 1 A 56 56 ILE CA C 53 60.803 59.844 0.959 1
1 649 . 13 1 1 A 56 56 ILE CB C 53 40.849 40.805 0.044 1
1 653 . 13 1 1 A 56 56 ILE N N 53 122.006 125.645 -3.639 1
1 654 . 13 1 1 A 57 57 LYS H H 54 8.745 8.987 -0.242 1
1 655 . 13 1 1 A 57 57 LYS HA H 54 5.093 4.937 0.156 1
1 664 . 13 1 1 A 57 57 LYS CA C 54 54.227 54.547 -0.320 1
1 665 . 13 1 1 A 57 57 LYS CB C 54 35.595 35.532 0.063 1
1 669 . 13 1 1 A 57 57 LYS N N 54 125.752 126.325 -0.573 1
1 670 . 13 1 1 A 58 58 LEU H H 55 8.543 9.078 -0.535 1
1 671 . 13 1 1 A 58 58 LEU HA H 55 4.788 4.448 0.340 1
1 681 . 13 1 1 A 58 58 LEU CA C 55 53.151 54.824 -1.673 1
1 682 . 13 1 1 A 58 58 LEU CB C 55 41.238 41.081 0.157 1
1 686 . 13 1 1 A 58 58 LEU N N 55 124.173 124.419 -0.246 1
1 687 . 13 1 1 A 59 59 ARG HA H 56 4.039 4.096 -0.057 1
1 694 . 13 1 1 A 59 59 ARG CA C 56 59.531 59.215 0.316 1
1 695 . 13 1 1 A 59 59 ARG CB C 56 32.180 29.759 2.421 1
1 698 . 13 1 1 A 60 60 SER HA H 57 4.335 4.473 -0.138 1
1 701 . 13 1 1 A 60 60 SER CA C 57 60.035 59.420 0.615 1
1 702 . 13 1 1 A 60 60 SER CB C 57 62.551 63.567 -1.016 1
1 703 . 13 1 1 A 61 61 SER H H 58 7.605 7.830 -0.225 1
1 704 . 13 1 1 A 61 61 SER HA H 58 4.604 4.735 -0.131 1
1 707 . 13 1 1 A 61 61 SER CA C 58 58.122 58.785 -0.663 1
1 708 . 13 1 1 A 61 61 SER CB C 58 64.520 66.192 -1.672 1
1 709 . 13 1 1 A 61 61 SER N N 58 112.447 113.615 -1.168 1
1 710 . 13 1 1 A 62 62 GLY H H 59 8.214 8.791 -0.577 1
1 711 . 13 1 1 A 62 62 GLY HA2 H 59 4.091 3.835 0.256 1
1 712 . 13 1 1 A 62 62 GLY HA3 H 59 3.824 3.861 -0.037 1
1 713 . 13 1 1 A 62 62 GLY CA C 59 45.562 45.392 0.170 1
1 714 . 13 1 1 A 62 62 GLY N N 59 108.976 109.846 -0.870 1
1 715 . 13 1 1 A 63 63 TYR H H 60 7.283 8.145 -0.862 1
1 716 . 13 1 1 A 63 63 TYR HA H 60 4.619 4.603 0.016 1
1 723 . 13 1 1 A 63 63 TYR CA C 60 60.412 58.134 2.278 1
1 724 . 13 1 1 A 63 63 TYR CB C 60 40.339 40.075 0.264 1
1 727 . 13 1 1 A 63 63 TYR N N 60 117.859 120.022 -2.163 1
1 728 . 13 1 1 A 64 64 ARG H H 61 9.296 9.244 0.052 1
1 729 . 13 1 1 A 64 64 ARG HA H 61 5.634 5.425 0.209 1
1 736 . 13 1 1 A 64 64 ARG CA C 61 54.114 54.467 -0.353 1
1 737 . 13 1 1 A 64 64 ARG CB C 61 33.245 35.001 -1.756 1
1 740 . 13 1 1 A 64 64 ARG N N 61 117.912 119.222 -1.310 1
1 741 . 13 1 1 A 65 65 LEU H H 62 9.077 8.889 0.188 1
1 742 . 13 1 1 A 65 65 LEU HA H 62 5.459 5.112 0.347 1
1 752 . 13 1 1 A 65 65 LEU CA C 62 54.114 54.548 -0.434 1
1 753 . 13 1 1 A 65 65 LEU CB C 62 46.977 46.297 0.680 1
1 757 . 13 1 1 A 65 65 LEU N N 62 123.590 121.938 1.652 1
1 758 . 13 1 1 A 66 66 VAL H H 63 8.729 8.783 -0.054 1
1 759 . 13 1 1 A 66 66 VAL HA H 63 5.206 5.245 -0.039 1
1 767 . 13 1 1 A 66 66 VAL CA C 63 60.112 60.799 -0.687 1
1 768 . 13 1 1 A 66 66 VAL CB C 63 34.296 34.066 0.230 1
1 771 . 13 1 1 A 66 66 VAL N N 63 123.237 125.494 -2.257 1
1 772 . 13 1 1 A 67 67 TYR H H 64 8.976 8.763 0.213 1
1 773 . 13 1 1 A 67 67 TYR HA H 64 5.745 5.398 0.347 1
1 780 . 13 1 1 A 67 67 TYR CA C 64 53.968 55.369 -1.401 1
1 781 . 13 1 1 A 67 67 TYR CB C 64 42.534 42.091 0.443 1
1 784 . 13 1 1 A 67 67 TYR N N 64 124.227 123.539 0.688 1
1 785 . 13 1 1 A 68 68 GLN H H 65 9.696 8.830 0.866 1
1 786 . 13 1 1 A 68 68 GLN HA H 65 5.640 5.255 0.385 1
1 793 . 13 1 1 A 68 68 GLN CA C 65 52.933 54.055 -1.122 1
1 794 . 13 1 1 A 68 68 GLN CB C 65 33.585 32.393 1.192 1
1 796 . 13 1 1 A 68 68 GLN N N 65 122.541 120.060 2.481 1
1 798 . 13 1 1 A 69 69 VAL H H 66 9.050 8.968 0.082 1
1 799 . 13 1 1 A 69 69 VAL HA H 66 4.513 4.715 -0.202 1
1 807 . 13 1 1 A 69 69 VAL CA C 66 62.534 62.143 0.391 1
1 808 . 13 1 1 A 69 69 VAL CB C 66 33.052 32.574 0.478 1
1 811 . 13 1 1 A 69 69 VAL N N 66 127.437 126.807 0.630 1
1 812 . 13 1 1 A 70 70 ILE H H 67 9.385 9.067 0.318 1
1 813 . 13 1 1 A 70 70 ILE HA H 67 4.475 4.545 -0.070 1
1 823 . 13 1 1 A 70 70 ILE CA C 67 59.863 60.775 -0.912 1
1 824 . 13 1 1 A 70 70 ILE CB C 67 37.487 38.365 -0.878 1
1 828 . 13 1 1 A 70 70 ILE N N 67 129.296 127.488 1.808 1
1 829 . 13 1 1 A 71 71 ASP H H 68 9.343 9.031 0.312 1
1 830 . 13 1 1 A 71 71 ASP HA H 68 4.595 4.630 -0.035 1
1 833 . 13 1 1 A 71 71 ASP CA C 68 58.841 57.006 1.835 1
1 834 . 13 1 1 A 71 71 ASP CB C 68 40.637 40.792 -0.155 1
1 835 . 13 1 1 A 71 71 ASP N N 68 128.749 128.871 -0.122 1
1 836 . 13 1 1 A 72 72 GLU H H 69 9.718 9.048 0.670 1
1 837 . 13 1 1 A 72 72 GLU HA H 69 4.124 4.067 0.057 1
1 842 . 13 1 1 A 72 72 GLU CA C 69 59.335 59.218 0.117 1
1 843 . 13 1 1 A 72 72 GLU CB C 69 29.131 29.014 0.117 1
1 845 . 13 1 1 A 72 72 GLU N N 69 118.929 117.080 1.849 1
1 846 . 13 1 1 A 73 73 LYS H H 70 6.653 7.637 -0.984 1
1 847 . 13 1 1 A 73 73 LYS HA H 70 4.517 4.401 0.116 1
1 856 . 13 1 1 A 73 73 LYS CA C 70 54.587 56.224 -1.637 1
1 857 . 13 1 1 A 73 73 LYS CB C 70 33.843 33.203 0.640 1
1 861 . 13 1 1 A 73 73 LYS N N 70 114.113 119.389 -5.276 1
1 862 . 13 1 1 A 74 74 VAL H H 71 7.832 7.860 -0.028 1
1 863 . 13 1 1 A 74 74 VAL HA H 71 3.012 3.624 -0.612 1
1 871 . 13 1 1 A 74 74 VAL CA C 71 63.090 63.051 0.039 1
1 872 . 13 1 1 A 74 74 VAL CB C 71 29.226 29.662 -0.436 1
1 875 . 13 1 1 A 74 74 VAL N N 71 119.223 117.800 1.423 1
1 876 . 13 1 1 A 75 75 VAL H H 72 7.732 8.105 -0.373 1
1 877 . 13 1 1 A 75 75 VAL HA H 72 4.950 5.066 -0.116 1
1 885 . 13 1 1 A 75 75 VAL CA C 72 60.455 60.538 -0.083 1
1 886 . 13 1 1 A 75 75 VAL CB C 72 37.925 35.013 2.912 1
1 889 . 13 1 1 A 75 75 VAL N N 72 117.190 120.541 -3.351 1
1 890 . 13 1 1 A 76 76 VAL H H 73 9.026 8.715 0.311 1
1 891 . 13 1 1 A 76 76 VAL HA H 73 4.349 4.699 -0.350 1
1 899 . 13 1 1 A 76 76 VAL CA C 73 62.527 61.595 0.932 1
1 900 . 13 1 1 A 76 76 VAL CB C 73 32.882 31.927 0.955 1
1 903 . 13 1 1 A 76 76 VAL N N 73 128.347 126.603 1.744 1
1 904 . 13 1 1 A 77 77 PHE H H 74 9.629 9.153 0.476 1
1 905 . 13 1 1 A 77 77 PHE HA H 74 5.898 4.915 0.983 1
1 913 . 13 1 1 A 77 77 PHE CA C 74 51.863 56.159 -4.296 1
1 914 . 13 1 1 A 77 77 PHE CB C 74 40.214 40.048 0.166 1
1 918 . 13 1 1 A 77 77 PHE N N 74 128.802 129.044 -0.242 1
1 919 . 13 1 1 A 78 78 VAL H H 75 9.535 8.714 0.821 1
1 920 . 13 1 1 A 78 78 VAL HA H 75 3.712 3.865 -0.153 1
1 928 . 13 1 1 A 78 78 VAL CA C 75 63.939 63.409 0.530 1
1 929 . 13 1 1 A 78 78 VAL CB C 75 31.079 31.223 -0.144 1
1 932 . 13 1 1 A 78 78 VAL N N 75 128.588 127.470 1.118 1
1 933 . 13 1 1 A 79 79 ILE H H 76 8.515 8.959 -0.444 1
1 934 . 13 1 1 A 79 79 ILE HA H 76 3.443 3.735 -0.292 1
1 944 . 13 1 1 A 79 79 ILE CA C 76 61.950 62.412 -0.462 1
1 945 . 13 1 1 A 79 79 ILE CB C 76 40.800 38.495 2.305 1
1 949 . 13 1 1 A 79 79 ILE N N 76 126.287 128.979 -2.692 1
1 950 . 13 1 1 A 80 80 SER H H 77 7.180 7.557 -0.377 1
1 951 . 13 1 1 A 80 80 SER HA H 77 4.506 5.055 -0.549 1
1 954 . 13 1 1 A 80 80 SER CA C 77 57.464 57.760 -0.296 1
1 955 . 13 1 1 A 80 80 SER CB C 77 64.912 67.215 -2.303 1
1 956 . 13 1 1 A 80 80 SER N N 77 111.625 114.449 -2.824 1
1 957 . 13 1 1 A 81 81 VAL H H 78 8.641 8.583 0.058 1
1 958 . 13 1 1 A 81 81 VAL HA H 78 5.066 5.058 0.008 1
1 966 . 13 1 1 A 81 81 VAL CA C 78 60.913 60.681 0.232 1
1 967 . 13 1 1 A 81 81 VAL CB C 78 35.010 36.069 -1.059 1
1 970 . 13 1 1 A 81 81 VAL N N 78 126.742 123.005 3.737 1
1 971 . 13 1 1 A 82 82 GLY H H 79 8.658 8.237 0.421 1
1 972 . 13 1 1 A 82 82 GLY HA2 H 79 4.370 4.257 0.113 1
1 973 . 13 1 1 A 82 82 GLY HA3 H 79 4.160 4.466 -0.306 1
1 974 . 13 1 1 A 82 82 GLY CA C 79 46.036 44.540 1.496 1
1 975 . 13 1 1 A 82 82 GLY N N 79 111.223 111.888 -0.665 1
1 976 . 13 1 1 A 83 83 LYS H H 80 8.569 8.255 0.314 1
1 977 . 13 1 1 A 83 83 LYS HA H 80 4.369 4.874 -0.505 1
1 986 . 13 1 1 A 83 83 LYS CA C 80 54.855 55.169 -0.314 1
1 987 . 13 1 1 A 83 83 LYS CB C 80 34.866 33.362 1.504 1
1 991 . 13 1 1 A 83 83 LYS N N 80 121.257 121.952 -0.695 1
1 992 . 13 1 1 A 84 84 ALA H H 81 8.334 8.485 -0.151 1
1 993 . 13 1 1 A 84 84 ALA HA H 81 4.274 4.875 -0.601 1
1 997 . 13 1 1 A 84 84 ALA CA C 81 52.003 50.590 1.413 1
1 998 . 13 1 1 A 84 84 ALA CB C 81 19.185 21.139 -1.954 1
1 999 . 13 1 1 A 84 84 ALA N N 81 126.662 128.055 -1.393 1
1 1000 . 13 1 1 A 85 85 GLU H H 82 8.638 9.287 -0.649 1
1 1001 . 13 1 1 A 85 85 GLU HA H 82 4.214 4.284 -0.070 1
1 1006 . 13 1 1 A 85 85 GLU CA C 82 56.366 57.096 -0.730 1
1 1007 . 13 1 1 A 85 85 GLU CB C 82 30.238 29.456 0.782 1
1 1009 . 13 1 1 A 85 85 GLU N N 82 121.819 124.624 -2.805 1
1 1010 . 13 1 1 A 86 86 ALA H H 83 8.462 9.046 -0.584 1
1 1011 . 13 1 1 A 86 86 ALA HA H 83 4.341 4.084 0.257 1
1 1015 . 13 1 1 A 86 86 ALA CA C 83 52.156 54.622 -2.466 1
1 1016 . 13 1 1 A 86 86 ALA CB C 83 19.206 17.625 1.581 1
1 1017 . 13 1 1 A 86 86 ALA N N 83 125.350 124.003 1.347 1
1 1018 . 13 1 1 A 87 87 SER H H 84 8.309 8.309 0.000 1
1 1019 . 13 1 1 A 87 87 SER HA H 84 4.400 4.506 -0.106 1
1 1022 . 13 1 1 A 87 87 SER CA C 84 58.058 59.774 -1.716 1
1 1023 . 13 1 1 A 87 87 SER CB C 84 63.845 64.335 -0.490 1
1 1024 . 13 1 1 A 87 87 SER N N 84 115.397 111.415 3.982 1
1 1025 . 13 1 1 A 88 88 GLU H H 85 8.443 8.242 0.201 1
1 1026 . 13 1 1 A 88 88 GLU HA H 85 4.318 4.644 -0.326 1
1 1031 . 13 1 1 A 88 88 GLU CA C 85 56.465 57.323 -0.858 1
1 1032 . 13 1 1 A 88 88 GLU CB C 85 30.464 31.006 -0.542 1
1 1034 . 13 1 1 A 88 88 GLU N N 85 122.947 118.016 4.931 1
1 1035 . 13 1 1 A 89 89 VAL H H 86 8.098 7.761 0.337 1
1 1036 . 13 1 1 A 89 89 VAL HA H 86 4.044 3.602 0.442 1
1 1044 . 13 1 1 A 89 89 VAL CA C 86 62.293 66.102 -3.809 1
1 1045 . 13 1 1 A 89 89 VAL CB C 86 32.703 31.599 1.104 1
1 1048 . 13 1 1 A 89 89 VAL N N 86 120.884 120.929 -0.045 1
1 1049 . 13 1 1 A 90 90 TYR H H 87 8.313 8.249 0.064 1
1 1050 . 13 1 1 A 90 90 TYR HA H 87 4.623 4.079 0.544 1
1 1057 . 13 1 1 A 90 90 TYR CA C 87 57.791 61.911 -4.120 1
1 1058 . 13 1 1 A 90 90 TYR CB C 87 38.795 38.623 0.172 1
1 1061 . 13 1 1 A 90 90 TYR N N 87 124.634 121.708 2.926 1
1 1062 . 13 1 1 A 91 91 SER H H 88 8.140 7.994 0.146 1
1 1063 . 13 1 1 A 91 91 SER HA H 88 4.411 4.051 0.360 1
1 1066 . 13 1 1 A 91 91 SER CA C 88 58.396 62.101 -3.705 1
1 1067 . 13 1 1 A 91 91 SER CB C 88 63.703 62.911 0.792 1
1 1068 . 13 1 1 A 91 91 SER N N 88 118.447 116.096 2.351 1
1 1069 . 13 1 1 A 92 92 GLU H H 89 8.400 7.511 0.889 1
1 1070 . 13 1 1 A 92 92 GLU HA H 89 4.245 4.144 0.101 1
1 1075 . 13 1 1 A 92 92 GLU CA C 89 56.465 57.862 -1.397 1
1 1076 . 13 1 1 A 92 92 GLU CB C 89 29.471 30.387 -0.916 1
1 1078 . 13 1 1 A 92 92 GLU N N 89 122.947 118.849 4.098 1
1 1079 . 13 1 1 A 93 93 ALA H H 90 8.224 7.436 0.788 1
1 1080 . 13 1 1 A 93 93 ALA HA H 90 4.287 4.398 -0.111 1
1 1084 . 13 1 1 A 93 93 ALA CA C 90 52.598 51.371 1.227 1
1 1085 . 13 1 1 A 93 93 ALA CB C 90 18.864 17.734 1.130 1
1 1086 . 13 1 1 A 93 93 ALA N N 90 124.404 122.033 2.371 1
1 1087 . 13 1 1 A 94 94 VAL H H 91 7.971 7.391 0.580 1
1 1088 . 13 1 1 A 94 94 VAL HA H 91 4.060 4.434 -0.374 1
1 1096 . 13 1 1 A 94 94 VAL CA C 91 62.072 59.873 2.199 1
1 1097 . 13 1 1 A 94 94 VAL CB C 91 32.601 34.647 -2.046 1
1 1100 . 13 1 1 A 94 94 VAL N N 91 119.330 117.564 1.766 1
1 1101 . 13 1 1 A 95 95 LYS H H 92 8.271 8.568 -0.297 1
1 1102 . 13 1 1 A 95 95 LYS HA H 92 4.313 3.961 0.352 1
1 1111 . 13 1 1 A 95 95 LYS CA C 92 56.078 60.188 -4.110 1
1 1112 . 13 1 1 A 95 95 LYS CB C 92 32.924 32.331 0.593 1
1 1116 . 13 1 1 A 95 95 LYS N N 92 124.941 121.938 3.003 1
1 1117 . 13 1 1 A 96 96 ARG H H 93 8.317 7.870 0.447 1
1 1118 . 13 1 1 A 96 96 ARG HA H 93 4.360 4.565 -0.205 1
1 1125 . 13 1 1 A 96 96 ARG CA C 93 55.901 56.413 -0.512 1
1 1126 . 13 1 1 A 96 96 ARG CB C 93 30.906 32.283 -1.377 1
1 1129 . 13 1 1 A 96 96 ARG N N 93 122.918 114.290 8.628 1
1 1130 . 13 1 1 A 97 97 ILE H H 94 8.251 7.246 1.005 1
1 1131 . 13 1 1 A 97 97 ILE HA H 94 4.184 4.130 0.054 1
1 1141 . 13 1 1 A 97 97 ILE CA C 94 60.946 60.971 -0.025 1
1 1142 . 13 1 1 A 97 97 ILE CB C 94 38.298 36.810 1.488 1
1 1146 . 13 1 1 A 97 97 ILE N N 94 123.301 123.004 0.297 1
1 1191 . 13 2 2 B 5 5 GLN H H 48 8.533 8.230 0.303 1
1 1192 . 13 2 2 B 5 5 GLN HA H 48 4.390 4.247 0.143 1
1 1199 . 13 2 2 B 5 5 GLN C C 48 175.953 175.281 0.672 1
1 1200 . 13 2 2 B 5 5 GLN CA C 48 55.760 56.007 -0.247 1
1 1201 . 13 2 2 B 5 5 GLN CB C 48 29.225 29.100 0.125 1
1 1203 . 13 2 2 B 5 5 GLN N N 48 122.121 123.031 -0.910 1
1 1205 . 13 2 2 B 6 6 THR H H 49 8.281 8.407 -0.126 1
1 1206 . 13 2 2 B 6 6 THR HA H 49 4.316 5.004 -0.688 1
1 1211 . 13 2 2 B 6 6 THR C C 49 174.156 174.942 -0.786 1
1 1212 . 13 2 2 B 6 6 THR CA C 49 61.724 60.730 0.994 1
1 1213 . 13 2 2 B 6 6 THR CB C 49 69.452 70.271 -0.819 1
1 1215 . 13 2 2 B 6 6 THR N N 49 116.639 112.688 3.951 1
1 1216 . 13 2 2 B 7 7 LEU H H 50 8.328 8.845 -0.517 1
1 1217 . 13 2 2 B 7 7 LEU HA H 50 4.381 4.492 -0.111 1
1 1227 . 13 2 2 B 7 7 LEU C C 50 176.985 176.403 0.582 1
1 1228 . 13 2 2 B 7 7 LEU CA C 50 55.093 54.544 0.549 1
1 1229 . 13 2 2 B 7 7 LEU CB C 50 42.122 42.007 0.115 1
1 1233 . 13 2 2 B 7 7 LEU N N 50 125.001 126.133 -1.132 1
1 1234 . 13 2 2 B 8 8 LEU H H 51 8.264 7.578 0.686 1
1 1235 . 13 2 2 B 8 8 LEU HA H 51 4.410 5.093 -0.683 1
1 1245 . 13 2 2 B 8 8 LEU C C 51 177.235 175.509 1.726 1
1 1246 . 13 2 2 B 8 8 LEU CA C 51 54.936 52.752 2.184 1
1 1247 . 13 2 2 B 8 8 LEU CB C 51 42.292 45.833 -3.541 1
1 1251 . 13 2 2 B 8 8 LEU N N 51 123.073 116.109 6.964 1
1 1252 . 13 2 2 B 9 9 SER H H 52 8.499 8.589 -0.090 1
1 1253 . 13 2 2 B 9 9 SER HA H 52 4.410 4.856 -0.446 1
1 1256 . 13 2 2 B 9 9 SER C C 52 174.083 173.639 0.444 1
1 1257 . 13 2 2 B 9 9 SER CA C 52 57.757 56.453 1.304 1
1 1258 . 13 2 2 B 9 9 SER CB C 52 63.734 65.206 -1.472 1
1 1259 . 13 2 2 B 9 9 SER N N 52 117.150 113.744 3.406 1
1 1260 . 13 2 2 B 10 10 ASP H H 53 8.416 8.959 -0.543 1
1 1261 . 13 2 2 B 10 10 ASP HA H 53 4.575 4.349 0.226 1
1 1264 . 13 2 2 B 10 10 ASP C C 53 176.911 177.486 -0.575 1
1 1265 . 13 2 2 B 10 10 ASP CA C 53 54.678 57.319 -2.641 1
1 1266 . 13 2 2 B 10 10 ASP CB C 53 40.771 40.418 0.353 1
1 1267 . 13 2 2 B 10 10 ASP N N 53 122.632 124.972 -2.340 1
1 1268 . 13 2 2 B 11 11 GLU H H 54 8.486 9.170 -0.684 1
1 1269 . 13 2 2 B 11 11 GLU HA H 54 4.155 4.179 -0.024 1
1 1274 . 13 2 2 B 11 11 GLU C C 54 177.220 177.328 -0.108 1
1 1275 . 13 2 2 B 11 11 GLU CA C 54 58.488 58.241 0.247 1
1 1276 . 13 2 2 B 11 11 GLU CB C 54 29.615 27.689 1.926 1
1 1278 . 13 2 2 B 11 11 GLU N N 54 121.842 116.686 5.156 1
1 1279 . 13 2 2 B 12 12 ASP H H 55 8.301 8.405 -0.104 1
1 1280 . 13 2 2 B 12 12 ASP HA H 55 4.470 4.610 -0.140 1
1 1283 . 13 2 2 B 12 12 ASP C C 55 177.161 178.105 -0.944 1
1 1284 . 13 2 2 B 12 12 ASP CA C 55 55.901 56.595 -0.694 1
1 1285 . 13 2 2 B 12 12 ASP CB C 55 40.503 41.151 -0.648 1
1 1286 . 13 2 2 B 12 12 ASP N N 55 120.309 119.772 0.537 1
1 1287 . 13 2 2 B 13 13 ALA H H 56 8.114 7.778 0.336 1
1 1288 . 13 2 2 B 13 13 ALA HA H 56 3.986 4.000 -0.014 1
1 1292 . 13 2 2 B 13 13 ALA C C 56 180.446 180.000 0.446 1
1 1293 . 13 2 2 B 13 13 ALA CA C 56 55.422 55.099 0.323 1
1 1294 . 13 2 2 B 13 13 ALA CB C 56 18.001 18.137 -0.136 1
1 1295 . 13 2 2 B 13 13 ALA N N 56 122.864 122.093 0.771 1
1 1296 . 13 2 2 B 14 14 GLU H H 57 8.105 8.042 0.063 1
1 1297 . 13 2 2 B 14 14 GLU HA H 57 4.010 4.099 -0.089 1
1 1302 . 13 2 2 B 14 14 GLU C C 57 178.914 178.270 0.644 1
1 1303 . 13 2 2 B 14 14 GLU CA C 57 59.175 58.702 0.473 1
1 1304 . 13 2 2 B 14 14 GLU CB C 57 28.904 29.612 -0.708 1
1 1306 . 13 2 2 B 14 14 GLU N N 57 117.931 118.743 -0.812 1
1 1307 . 13 2 2 B 15 15 LEU H H 58 7.813 7.592 0.221 1
1 1308 . 13 2 2 B 15 15 LEU HA H 58 4.062 4.288 -0.226 1
1 1318 . 13 2 2 B 15 15 LEU C C 58 178.634 178.687 -0.053 1
1 1319 . 13 2 2 B 15 15 LEU CA C 58 56.960 55.956 1.004 1
1 1320 . 13 2 2 B 15 15 LEU CB C 58 41.973 42.676 -0.703 1
1 1324 . 13 2 2 B 15 15 LEU N N 58 119.867 119.134 0.733 1
1 1325 . 13 2 2 B 16 16 VAL H H 59 8.491 7.954 0.537 1
1 1326 . 13 2 2 B 16 16 VAL HA H 59 3.365 3.496 -0.131 1
1 1334 . 13 2 2 B 16 16 VAL C C 59 177.147 177.988 -0.841 1
1 1335 . 13 2 2 B 16 16 VAL CA C 59 67.142 66.869 0.273 1
1 1336 . 13 2 2 B 16 16 VAL CB C 59 31.176 31.296 -0.120 1
1 1339 . 13 2 2 B 16 16 VAL N N 59 118.357 119.308 -0.951 1
1 1340 . 13 2 2 B 17 17 GLU H H 60 7.411 8.455 -1.044 1
1 1341 . 13 2 2 B 17 17 GLU HA H 60 4.015 4.119 -0.104 1
1 1346 . 13 2 2 B 17 17 GLU C C 60 179.636 178.649 0.987 1
1 1347 . 13 2 2 B 17 17 GLU CA C 60 59.203 58.684 0.519 1
1 1348 . 13 2 2 B 17 17 GLU CB C 60 28.970 28.267 0.703 1
1 1350 . 13 2 2 B 17 17 GLU N N 60 117.103 118.980 -1.877 1
1 1351 . 13 2 2 B 18 18 ILE H H 61 7.574 7.826 -0.252 1
1 1352 . 13 2 2 B 18 18 ILE HA H 61 3.830 3.798 0.032 1
1 1362 . 13 2 2 B 18 18 ILE C C 61 178.001 178.401 -0.400 1
1 1363 . 13 2 2 B 18 18 ILE CA C 61 63.982 64.421 -0.439 1
1 1364 . 13 2 2 B 18 18 ILE CB C 61 38.483 37.809 0.674 1
1 1368 . 13 2 2 B 18 18 ILE N N 61 120.727 121.618 -0.891 1
1 1369 . 13 2 2 B 19 19 VAL H H 62 8.294 8.144 0.150 1
1 1370 . 13 2 2 B 19 19 VAL HA H 62 3.360 3.804 -0.444 1
1 1378 . 13 2 2 B 19 19 VAL C C 62 177.338 177.569 -0.231 1
1 1379 . 13 2 2 B 19 19 VAL CA C 62 66.364 65.366 0.998 1
1 1380 . 13 2 2 B 19 19 VAL CB C 62 31.203 31.465 -0.262 1
1 1383 . 13 2 2 B 19 19 VAL N N 62 119.635 121.450 -1.815 1
1 1384 . 13 2 2 B 20 20 LYS H H 63 8.780 8.088 0.692 1
1 1385 . 13 2 2 B 20 20 LYS HA H 63 3.784 4.038 -0.254 1
1 1394 . 13 2 2 B 20 20 LYS C C 63 179.209 178.826 0.383 1
1 1395 . 13 2 2 B 20 20 LYS CA C 63 60.096 58.882 1.214 1
1 1396 . 13 2 2 B 20 20 LYS CB C 63 32.673 32.200 0.473 1
1 1400 . 13 2 2 B 20 20 LYS N N 63 118.009 119.869 -1.860 1
1 1401 . 13 2 2 B 21 21 GLU H H 64 7.567 8.012 -0.445 1
1 1402 . 13 2 2 B 21 21 GLU HA H 64 4.084 4.046 0.038 1
1 1407 . 13 2 2 B 21 21 GLU C C 64 179.592 178.941 0.651 1
1 1408 . 13 2 2 B 21 21 GLU CA C 64 58.728 59.423 -0.695 1
1 1409 . 13 2 2 B 21 21 GLU CB C 64 28.974 29.088 -0.114 1
1 1411 . 13 2 2 B 21 21 GLU N N 64 117.452 119.461 -2.009 1
1 1412 . 13 2 2 B 22 22 ARG H H 65 8.156 7.475 0.681 1
1 1413 . 13 2 2 B 22 22 ARG HA H 65 4.053 4.152 -0.099 1
1 1420 . 13 2 2 B 22 22 ARG C C 65 177.986 177.266 0.720 1
1 1421 . 13 2 2 B 22 22 ARG CA C 65 61.243 57.899 3.344 1
1 1422 . 13 2 2 B 22 22 ARG CB C 65 29.980 30.334 -0.354 1
1 1425 . 13 2 2 B 22 22 ARG N N 65 119.635 119.793 -0.158 1
1 1426 . 13 2 2 B 23 23 LEU H H 66 8.436 7.776 0.660 1
1 1427 . 13 2 2 B 23 23 LEU HA H 66 4.106 4.207 -0.101 1
1 1437 . 13 2 2 B 23 23 LEU C C 66 178.620 179.494 -0.874 1
1 1438 . 13 2 2 B 23 23 LEU CA C 66 56.667 55.927 0.740 1
1 1439 . 13 2 2 B 23 23 LEU CB C 66 41.465 42.227 -0.762 1
1 1443 . 13 2 2 B 23 23 LEU N N 66 115.686 117.316 -1.630 1
1 1444 . 13 2 2 B 24 24 ARG H H 67 7.404 8.269 -0.865 1
1 1445 . 13 2 2 B 24 24 ARG HA H 67 4.165 4.149 0.016 1
1 1452 . 13 2 2 B 24 24 ARG C C 67 177.147 176.283 0.864 1
1 1453 . 13 2 2 B 24 24 ARG CA C 67 59.004 58.699 0.305 1
1 1454 . 13 2 2 B 24 24 ARG CB C 67 30.472 29.617 0.855 1
1 1457 . 13 2 2 B 24 24 ARG N N 67 118.427 118.504 -0.077 1
1 1458 . 13 2 2 B 25 25 ASN H H 68 7.322 7.866 -0.544 1
1 1459 . 13 2 2 B 25 25 ASN HA H 68 5.064 5.004 0.060 1
1 1464 . 13 2 2 B 25 25 ASN CA C 68 51.014 51.100 -0.086 1
1 1465 . 13 2 2 B 25 25 ASN CB C 68 38.696 39.046 -0.350 1
1 1466 . 13 2 2 B 25 25 ASN N N 68 114.083 117.432 -3.349 1
1 1468 . 13 2 2 B 26 26 PRO HA H 69 4.521 4.440 0.081 1
1 1475 . 13 2 2 B 26 26 PRO C C 69 177.323 177.017 0.306 1
1 1476 . 13 2 2 B 26 26 PRO CA C 69 63.698 65.340 -1.642 1
1 1477 . 13 2 2 B 26 26 PRO CB C 69 33.286 31.855 1.431 1
1 1480 . 13 2 2 B 27 27 LYS H H 70 8.672 7.953 0.719 1
1 1481 . 13 2 2 B 27 27 LYS HA H 70 4.980 3.963 1.017 1
1 1490 . 13 2 2 B 27 27 LYS CA C 70 52.767 56.505 -3.738 1
1 1491 . 13 2 2 B 27 27 LYS CB C 70 33.540 31.036 2.504 1
1 1495 . 13 2 2 B 27 27 LYS N N 70 121.210 115.779 5.431 1
1 1496 . 13 2 2 B 28 28 PRO HA H 71 4.467 4.782 -0.315 1
1 1503 . 13 2 2 B 28 28 PRO C C 71 177.235 175.919 1.316 1
1 1504 . 13 2 2 B 28 28 PRO CA C 71 63.859 62.476 1.383 1
1 1505 . 13 2 2 B 28 28 PRO CB C 71 32.632 31.943 0.689 1
1 1508 . 13 2 2 B 29 29 VAL H H 72 9.036 8.623 0.413 1
1 1509 . 13 2 2 B 29 29 VAL HA H 72 4.155 4.285 -0.130 1
1 1517 . 13 2 2 B 29 29 VAL C C 72 174.554 175.176 -0.622 1
1 1518 . 13 2 2 B 29 29 VAL CA C 72 61.506 61.549 -0.043 1
1 1519 . 13 2 2 B 29 29 VAL CB C 72 34.764 32.371 2.393 1
1 1522 . 13 2 2 B 29 29 VAL N N 72 124.322 124.213 0.109 1
1 1523 . 13 2 2 B 30 30 ARG H H 73 8.437 8.732 -0.295 1
1 1524 . 13 2 2 B 30 30 ARG HA H 73 5.195 4.530 0.665 1
1 1531 . 13 2 2 B 30 30 ARG C C 73 176.248 176.000 0.248 1
1 1532 . 13 2 2 B 30 30 ARG CA C 73 55.189 56.669 -1.480 1
1 1533 . 13 2 2 B 30 30 ARG CB C 73 27.764 30.711 -2.947 1
1 1536 . 13 2 2 B 30 30 ARG N N 73 129.461 128.571 0.890 1
1 1537 . 13 2 2 B 31 31 VAL H H 74 8.822 8.836 -0.014 1
1 1538 . 13 2 2 B 31 31 VAL HA H 74 4.889 5.046 -0.157 1
1 1546 . 13 2 2 B 31 31 VAL C C 74 173.965 173.938 0.027 1
1 1547 . 13 2 2 B 31 31 VAL CA C 74 59.055 59.057 -0.002 1
1 1548 . 13 2 2 B 31 31 VAL CB C 74 35.653 36.552 -0.899 1
1 1551 . 13 2 2 B 31 31 VAL N N 74 123.375 119.332 4.043 1
1 1552 . 13 2 2 B 32 32 THR H H 75 7.855 8.340 -0.485 1
1 1553 . 13 2 2 B 32 32 THR HA H 75 4.730 5.051 -0.321 1
1 1558 . 13 2 2 B 32 32 THR C C 75 175.865 175.105 0.760 1
1 1559 . 13 2 2 B 32 32 THR CA C 75 59.052 59.244 -0.192 1
1 1560 . 13 2 2 B 32 32 THR CB C 75 71.228 71.953 -0.725 1
1 1562 . 13 2 2 B 32 32 THR N N 75 109.507 110.809 -1.302 1
1 1563 . 13 2 2 B 33 33 LEU H H 76 8.841 8.897 -0.056 1
1 1564 . 13 2 2 B 33 33 LEU HA H 76 3.773 4.071 -0.298 1
1 1574 . 13 2 2 B 33 33 LEU C C 76 178.737 178.675 0.062 1
1 1575 . 13 2 2 B 33 33 LEU CA C 76 57.892 57.257 0.635 1
1 1576 . 13 2 2 B 33 33 LEU CB C 76 41.057 41.615 -0.558 1
1 1580 . 13 2 2 B 33 33 LEU N N 76 121.099 122.093 -0.994 1
1 1581 . 13 2 2 B 34 34 ASP H H 77 7.983 8.228 -0.245 1
1 1582 . 13 2 2 B 34 34 ASP HA H 77 4.431 4.296 0.135 1
1 1585 . 13 2 2 B 34 34 ASP C C 77 177.088 177.985 -0.897 1
1 1586 . 13 2 2 B 34 34 ASP CA C 77 55.837 57.449 -1.612 1
1 1587 . 13 2 2 B 34 34 ASP CB C 77 40.498 40.819 -0.321 1
1 1588 . 13 2 2 B 34 34 ASP N N 77 113.851 119.680 -5.829 1
1 1589 . 13 2 2 B 35 35 GLU H H 78 7.561 8.260 -0.699 1
1 1590 . 13 2 2 B 35 35 GLU HA H 78 4.320 4.222 0.098 1
1 1595 . 13 2 2 B 35 35 GLU C C 78 175.482 176.805 -1.323 1
1 1596 . 13 2 2 B 35 35 GLU CA C 78 55.918 57.680 -1.762 1
1 1597 . 13 2 2 B 35 35 GLU CB C 78 30.767 29.629 1.138 1
1 1599 . 13 2 2 B 35 35 GLU N N 78 117.508 116.154 1.354 1
1 15 . 14 1 1 A 5 5 ALA H H 2 8.098 8.674 -0.576 1
1 16 . 14 1 1 A 5 5 ALA HA H 2 4.389 4.081 0.308 1
1 20 . 14 1 1 A 5 5 ALA CA C 2 51.852 55.206 -3.354 1
1 21 . 14 1 1 A 5 5 ALA CB C 2 19.420 19.175 0.245 1
1 22 . 14 1 1 A 5 5 ALA N N 2 125.572 125.010 0.562 1
1 23 . 14 1 1 A 6 6 TYR H H 3 8.402 8.175 0.227 1
1 24 . 14 1 1 A 6 6 TYR HA H 3 4.236 4.680 -0.444 1
1 31 . 14 1 1 A 6 6 TYR CA C 3 57.802 56.489 1.313 1
1 32 . 14 1 1 A 6 6 TYR CB C 3 39.608 40.463 -0.855 1
1 35 . 14 1 1 A 6 6 TYR N N 3 120.730 113.939 6.791 1
1 36 . 14 1 1 A 7 7 PHE H H 4 8.958 8.837 0.121 1
1 37 . 14 1 1 A 7 7 PHE HA H 4 4.509 4.811 -0.302 1
1 45 . 14 1 1 A 7 7 PHE CA C 4 57.936 57.898 0.038 1
1 46 . 14 1 1 A 7 7 PHE CB C 4 40.613 40.203 0.410 1
1 50 . 14 1 1 A 7 7 PHE N N 4 118.436 122.018 -3.582 1
1 51 . 14 1 1 A 8 8 LEU H H 5 8.711 8.698 0.013 1
1 52 . 14 1 1 A 8 8 LEU HA H 5 5.336 5.283 0.053 1
1 62 . 14 1 1 A 8 8 LEU CA C 5 53.391 53.753 -0.362 1
1 63 . 14 1 1 A 8 8 LEU CB C 5 44.716 45.797 -1.081 1
1 67 . 14 1 1 A 8 8 LEU N N 5 122.810 122.177 0.633 1
1 68 . 14 1 1 A 9 9 ASP H H 6 9.145 8.990 0.155 1
1 69 . 14 1 1 A 9 9 ASP HA H 6 5.999 5.468 0.531 1
1 72 . 14 1 1 A 9 9 ASP CA C 6 51.759 52.915 -1.156 1
1 73 . 14 1 1 A 9 9 ASP CB C 6 44.757 45.375 -0.618 1
1 74 . 14 1 1 A 9 9 ASP N N 6 124.570 125.209 -0.639 1
1 75 . 14 1 1 A 10 10 PHE H H 7 9.884 9.250 0.634 1
1 76 . 14 1 1 A 10 10 PHE HA H 7 5.231 5.136 0.095 1
1 83 . 14 1 1 A 10 10 PHE CA C 7 55.321 56.665 -1.344 1
1 84 . 14 1 1 A 10 10 PHE CB C 7 42.863 43.314 -0.451 1
1 88 . 14 1 1 A 10 10 PHE N N 7 123.156 119.362 3.794 1
1 89 . 14 1 1 A 11 11 ASP H H 8 8.986 8.660 0.326 1
1 90 . 14 1 1 A 11 11 ASP HA H 8 4.924 4.860 0.064 1
1 93 . 14 1 1 A 11 11 ASP CA C 8 55.122 54.752 0.370 1
1 94 . 14 1 1 A 11 11 ASP CB C 8 44.453 42.990 1.463 1
1 95 . 14 1 1 A 11 11 ASP N N 8 123.103 124.469 -1.366 1
1 96 . 14 1 1 A 12 12 GLU H H 9 9.685 8.960 0.725 1
1 97 . 14 1 1 A 12 12 GLU HA H 9 3.984 4.052 -0.068 1
1 102 . 14 1 1 A 12 12 GLU CA C 9 60.974 59.382 1.592 1
1 103 . 14 1 1 A 12 12 GLU CB C 9 31.222 29.335 1.887 1
1 105 . 14 1 1 A 12 12 GLU N N 9 128.730 125.559 3.171 1
1 106 . 14 1 1 A 13 13 ARG H H 10 9.626 8.021 1.605 1
1 107 . 14 1 1 A 13 13 ARG HA H 10 4.063 4.013 0.050 1
1 114 . 14 1 1 A 13 13 ARG CA C 10 59.013 58.975 0.038 1
1 115 . 14 1 1 A 13 13 ARG CB C 10 30.124 30.530 -0.406 1
1 118 . 14 1 1 A 13 13 ARG N N 10 117.930 120.335 -2.405 1
1 119 . 14 1 1 A 14 14 ALA H H 11 7.268 8.425 -1.157 1
1 120 . 14 1 1 A 14 14 ALA HA H 11 5.323 4.153 1.170 1
1 124 . 14 1 1 A 14 14 ALA CA C 11 53.013 55.056 -2.043 1
1 125 . 14 1 1 A 14 14 ALA CB C 11 18.072 18.682 -0.610 1
1 126 . 14 1 1 A 14 14 ALA N N 11 122.063 122.037 0.026 1
1 127 . 14 1 1 A 15 15 LEU H H 12 8.773 8.015 0.758 1
1 128 . 14 1 1 A 15 15 LEU HA H 12 4.318 2.665 1.653 1
1 138 . 14 1 1 A 15 15 LEU CA C 12 57.404 57.546 -0.142 1
1 139 . 14 1 1 A 15 15 LEU CB C 12 41.842 41.612 0.230 1
1 143 . 14 1 1 A 15 15 LEU N N 12 121.956 118.887 3.069 1
1 144 . 14 1 1 A 16 16 LYS H H 13 7.515 7.769 -0.254 1
1 145 . 14 1 1 A 16 16 LYS HA H 13 4.099 3.822 0.277 1
1 154 . 14 1 1 A 16 16 LYS CA C 13 59.837 59.553 0.284 1
1 155 . 14 1 1 A 16 16 LYS CB C 13 32.297 32.069 0.228 1
1 159 . 14 1 1 A 16 16 LYS N N 13 118.250 117.047 1.203 1
1 160 . 14 1 1 A 17 17 GLU H H 14 7.416 8.118 -0.702 1
1 161 . 14 1 1 A 17 17 GLU HA H 14 3.959 4.002 -0.043 1
1 166 . 14 1 1 A 17 17 GLU CA C 14 59.458 59.465 -0.007 1
1 167 . 14 1 1 A 17 17 GLU CB C 14 29.644 29.655 -0.011 1
1 169 . 14 1 1 A 17 17 GLU N N 14 118.330 119.964 -1.634 1
1 170 . 14 1 1 A 18 18 TRP H H 15 9.095 7.786 1.309 1
1 171 . 14 1 1 A 18 18 TRP HA H 15 4.013 4.486 -0.473 1
1 178 . 14 1 1 A 18 18 TRP CA C 15 60.476 59.938 0.538 1
1 179 . 14 1 1 A 18 18 TRP CB C 15 29.644 28.232 1.412 1
1 182 . 14 1 1 A 18 18 TRP N N 15 121.770 118.872 2.898 1
1 183 . 14 1 1 A 19 19 ARG H H 16 8.060 7.643 0.417 1
1 184 . 14 1 1 A 19 19 ARG HA H 16 4.030 3.988 0.042 1
1 191 . 14 1 1 A 19 19 ARG CA C 16 57.993 59.094 -1.101 1
1 192 . 14 1 1 A 19 19 ARG CB C 16 29.948 29.790 0.158 1
1 195 . 14 1 1 A 19 19 ARG N N 16 113.396 122.513 -9.117 1
1 196 . 14 1 1 A 20 20 LYS H H 17 7.274 7.597 -0.323 1
1 197 . 14 1 1 A 20 20 LYS HA H 17 4.311 4.124 0.187 1
1 206 . 14 1 1 A 20 20 LYS CA C 17 57.183 58.278 -1.095 1
1 207 . 14 1 1 A 20 20 LYS CB C 17 32.106 32.586 -0.480 1
1 211 . 14 1 1 A 20 20 LYS N N 17 116.232 117.845 -1.613 1
1 212 . 14 1 1 A 21 21 LEU H H 18 7.359 7.668 -0.309 1
1 213 . 14 1 1 A 21 21 LEU HA H 18 4.074 4.425 -0.351 1
1 223 . 14 1 1 A 21 21 LEU CA C 18 54.367 54.938 -0.571 1
1 224 . 14 1 1 A 21 21 LEU CB C 18 43.185 43.204 -0.019 1
1 228 . 14 1 1 A 21 21 LEU N N 18 119.903 115.326 4.577 1
1 229 . 14 1 1 A 22 22 GLY H H 19 8.455 6.916 1.539 1
1 230 . 14 1 1 A 22 22 GLY HA2 H 19 4.103 3.986 0.117 1
1 231 . 14 1 1 A 22 22 GLY HA3 H 19 3.888 4.029 -0.141 1
1 232 . 14 1 1 A 22 22 GLY CA C 19 44.739 45.092 -0.353 1
1 233 . 14 1 1 A 22 22 GLY N N 19 108.063 107.331 0.732 1
1 234 . 14 1 1 A 23 23 SER H H 20 8.711 9.092 -0.381 1
1 235 . 14 1 1 A 23 23 SER HA H 20 4.422 4.187 0.235 1
1 238 . 14 1 1 A 23 23 SER CA C 20 58.325 62.507 -4.182 1
1 239 . 14 1 1 A 23 23 SER CB C 20 63.754 63.084 0.670 1
1 240 . 14 1 1 A 23 23 SER N N 20 117.509 117.322 0.187 1
1 241 . 14 1 1 A 24 24 THR H H 21 8.273 7.938 0.335 1
1 242 . 14 1 1 A 24 24 THR HA H 21 4.026 3.970 0.056 1
1 247 . 14 1 1 A 24 24 THR CA C 21 65.605 66.484 -0.879 1
1 248 . 14 1 1 A 24 24 THR CB C 21 68.013 67.986 0.027 1
1 250 . 14 1 1 A 24 24 THR N N 21 116.047 118.072 -2.025 1
1 251 . 14 1 1 A 25 25 VAL H H 22 7.075 8.072 -0.997 1
1 252 . 14 1 1 A 25 25 VAL HA H 22 3.507 3.491 0.016 1
1 260 . 14 1 1 A 25 25 VAL CA C 22 65.475 66.897 -1.422 1
1 261 . 14 1 1 A 25 25 VAL CB C 22 31.319 31.177 0.142 1
1 264 . 14 1 1 A 25 25 VAL N N 22 122.543 121.734 0.809 1
1 265 . 14 1 1 A 26 26 ARG H H 23 7.781 7.913 -0.132 1
1 266 . 14 1 1 A 26 26 ARG HA H 23 3.116 3.918 -0.802 1
1 273 . 14 1 1 A 26 26 ARG CA C 23 60.215 58.730 1.485 1
1 274 . 14 1 1 A 26 26 ARG CB C 23 30.555 29.707 0.848 1
1 277 . 14 1 1 A 26 26 ARG N N 23 118.490 119.897 -1.407 1
1 278 . 14 1 1 A 27 27 GLU H H 24 8.107 8.116 -0.009 1
1 279 . 14 1 1 A 27 27 GLU HA H 24 4.031 4.072 -0.041 1
1 284 . 14 1 1 A 27 27 GLU CA C 24 59.421 59.008 0.413 1
1 285 . 14 1 1 A 27 27 GLU CB C 24 29.126 29.145 -0.019 1
1 287 . 14 1 1 A 27 27 GLU N N 24 116.756 118.939 -2.183 1
1 288 . 14 1 1 A 28 28 GLN H H 25 7.760 7.655 0.105 1
1 289 . 14 1 1 A 28 28 GLN HA H 25 4.097 4.012 0.085 1
1 296 . 14 1 1 A 28 28 GLN CA C 25 59.055 58.753 0.302 1
1 297 . 14 1 1 A 28 28 GLN CB C 25 29.925 28.299 1.626 1
1 299 . 14 1 1 A 28 28 GLN N N 25 118.410 119.901 -1.491 1
1 301 . 14 1 1 A 29 29 LEU H H 26 8.631 8.031 0.600 1
1 302 . 14 1 1 A 29 29 LEU HA H 26 4.145 3.973 0.172 1
1 312 . 14 1 1 A 29 29 LEU CA C 26 57.929 57.983 -0.054 1
1 313 . 14 1 1 A 29 29 LEU CB C 26 42.787 41.584 1.203 1
1 317 . 14 1 1 A 29 29 LEU N N 26 119.716 119.950 -0.234 1
1 318 . 14 1 1 A 30 30 LYS H H 27 9.183 7.852 1.331 1
1 319 . 14 1 1 A 30 30 LYS HA H 27 3.981 4.096 -0.115 1
1 328 . 14 1 1 A 30 30 LYS CA C 27 61.364 58.931 2.433 1
1 329 . 14 1 1 A 30 30 LYS CB C 27 32.137 31.975 0.162 1
1 333 . 14 1 1 A 30 30 LYS N N 27 120.836 118.242 2.594 1
1 334 . 14 1 1 A 31 31 LYS H H 28 7.580 7.653 -0.073 1
1 335 . 14 1 1 A 31 31 LYS HA H 28 4.050 4.103 -0.053 1
1 344 . 14 1 1 A 31 31 LYS CA C 28 59.586 59.228 0.358 1
1 345 . 14 1 1 A 31 31 LYS CB C 28 32.373 32.592 -0.219 1
1 349 . 14 1 1 A 31 31 LYS N N 28 116.783 118.944 -2.161 1
1 350 . 14 1 1 A 32 32 LYS H H 29 7.300 7.698 -0.398 1
1 351 . 14 1 1 A 32 32 LYS HA H 29 4.090 4.100 -0.010 1
1 360 . 14 1 1 A 32 32 LYS CA C 29 57.130 58.588 -1.458 1
1 361 . 14 1 1 A 32 32 LYS N N 29 116.383 118.961 -2.578 1
1 362 . 14 1 1 A 33 33 LEU H H 30 8.722 7.770 0.952 1
1 363 . 14 1 1 A 33 33 LEU HA H 30 3.881 4.045 -0.164 1
1 373 . 14 1 1 A 33 33 LEU CA C 30 57.634 57.122 0.512 1
1 374 . 14 1 1 A 33 33 LEU CB C 30 42.116 41.507 0.609 1
1 378 . 14 1 1 A 33 33 LEU N N 30 121.770 120.392 1.378 1
1 379 . 14 1 1 A 34 34 VAL H H 31 8.067 7.577 0.490 1
1 380 . 14 1 1 A 34 34 VAL HA H 31 3.479 3.821 -0.342 1
1 388 . 14 1 1 A 34 34 VAL CA C 31 66.847 64.586 2.261 1
1 389 . 14 1 1 A 34 34 VAL CB C 31 31.860 31.607 0.253 1
1 392 . 14 1 1 A 34 34 VAL N N 31 118.116 118.653 -0.537 1
1 393 . 14 1 1 A 35 35 GLU H H 32 6.825 7.766 -0.941 1
1 394 . 14 1 1 A 35 35 GLU HA H 32 4.090 4.173 -0.083 1
1 399 . 14 1 1 A 35 35 GLU CA C 32 58.624 58.459 0.165 1
1 400 . 14 1 1 A 35 35 GLU CB C 32 29.746 29.713 0.033 1
1 402 . 14 1 1 A 35 35 GLU N N 32 116.570 120.105 -3.535 1
1 403 . 14 1 1 A 36 36 VAL H H 33 7.785 7.598 0.187 1
1 404 . 14 1 1 A 36 36 VAL HA H 33 3.484 3.679 -0.195 1
1 412 . 14 1 1 A 36 36 VAL CA C 33 65.213 65.225 -0.012 1
1 413 . 14 1 1 A 36 36 VAL CB C 33 31.932 31.152 0.780 1
1 416 . 14 1 1 A 36 36 VAL N N 33 120.618 120.625 -0.007 1
1 417 . 14 1 1 A 37 37 LEU H H 34 7.956 7.771 0.185 1
1 418 . 14 1 1 A 37 37 LEU HA H 34 3.747 4.130 -0.383 1
1 428 . 14 1 1 A 37 37 LEU CA C 34 57.069 56.137 0.932 1
1 429 . 14 1 1 A 37 37 LEU CB C 34 40.916 41.649 -0.733 1
1 433 . 14 1 1 A 37 37 LEU N N 34 115.476 121.356 -5.880 1
1 434 . 14 1 1 A 38 38 GLU H H 35 7.042 8.008 -0.966 1
1 435 . 14 1 1 A 38 38 GLU HA H 35 4.395 4.619 -0.224 1
1 440 . 14 1 1 A 38 38 GLU CA C 35 57.553 57.629 -0.076 1
1 441 . 14 1 1 A 38 38 GLU CB C 35 30.234 31.887 -1.653 1
1 443 . 14 1 1 A 38 38 GLU N N 35 114.356 119.328 -4.972 1
1 444 . 14 1 1 A 39 39 SER H H 36 7.125 7.973 -0.848 1
1 445 . 14 1 1 A 39 39 SER HA H 36 4.593 4.934 -0.341 1
1 448 . 14 1 1 A 39 39 SER CA C 36 55.308 55.497 -0.189 1
1 449 . 14 1 1 A 39 39 SER CB C 36 62.305 63.203 -0.898 1
1 450 . 14 1 1 A 39 39 SER N N 36 109.796 112.961 -3.165 1
1 451 . 14 1 1 A 40 40 PRO HA H 37 4.360 4.431 -0.071 1
1 458 . 14 1 1 A 40 40 PRO CA C 37 64.802 63.639 1.163 1
1 459 . 14 1 1 A 40 40 PRO CB C 37 32.562 32.161 0.401 1
1 462 . 14 1 1 A 41 41 ARG H H 38 8.356 8.155 0.201 1
1 463 . 14 1 1 A 41 41 ARG HA H 38 3.271 3.982 -0.711 1
1 470 . 14 1 1 A 41 41 ARG CA C 38 56.364 54.863 1.501 1
1 471 . 14 1 1 A 41 41 ARG CB C 38 29.580 29.227 0.353 1
1 474 . 14 1 1 A 41 41 ARG N N 38 120.882 118.833 2.049 1
1 475 . 14 1 1 A 42 42 ILE H H 39 5.973 7.465 -1.492 1
1 476 . 14 1 1 A 42 42 ILE HA H 39 4.216 4.453 -0.237 1
1 486 . 14 1 1 A 42 42 ILE CA C 39 60.301 60.518 -0.217 1
1 487 . 14 1 1 A 42 42 ILE CB C 39 38.705 38.819 -0.114 1
1 491 . 14 1 1 A 42 42 ILE N N 39 127.866 125.835 2.031 1
1 492 . 14 1 1 A 43 43 GLU H H 40 8.860 8.984 -0.124 1
1 493 . 14 1 1 A 43 43 GLU HA H 40 4.218 4.377 -0.159 1
1 498 . 14 1 1 A 43 43 GLU CA C 40 59.945 58.472 1.473 1
1 499 . 14 1 1 A 43 43 GLU CB C 40 29.040 28.704 0.336 1
1 501 . 14 1 1 A 43 43 GLU N N 40 129.498 127.079 2.419 1
1 502 . 14 1 1 A 44 44 ALA H H 41 8.827 7.552 1.275 1
1 503 . 14 1 1 A 44 44 ALA HA H 41 4.241 4.219 0.022 1
1 507 . 14 1 1 A 44 44 ALA CA C 41 54.035 53.680 0.355 1
1 508 . 14 1 1 A 44 44 ALA CB C 41 18.466 18.478 -0.012 1
1 509 . 14 1 1 A 44 44 ALA N N 41 119.919 122.986 -3.067 1
1 510 . 14 1 1 A 45 45 ASN H H 42 8.184 8.022 0.162 1
1 511 . 14 1 1 A 45 45 ASN HA H 42 5.082 4.991 0.091 1
1 516 . 14 1 1 A 45 45 ASN CA C 42 51.401 53.155 -1.754 1
1 517 . 14 1 1 A 45 45 ASN CB C 42 38.684 40.047 -1.363 1
1 518 . 14 1 1 A 45 45 ASN N N 42 114.675 115.418 -0.743 1
1 520 . 14 1 1 A 46 46 LYS H H 43 7.515 7.424 0.091 1
1 521 . 14 1 1 A 46 46 LYS HA H 43 3.741 4.237 -0.496 1
1 530 . 14 1 1 A 46 46 LYS CA C 43 57.354 56.261 1.093 1
1 531 . 14 1 1 A 46 46 LYS CB C 43 32.905 32.673 0.232 1
1 535 . 14 1 1 A 46 46 LYS N N 43 122.167 119.335 2.832 1
1 536 . 14 1 1 A 47 47 LEU H H 44 8.184 7.836 0.348 1
1 537 . 14 1 1 A 47 47 LEU HA H 44 4.297 4.486 -0.189 1
1 547 . 14 1 1 A 47 47 LEU CA C 44 53.422 54.133 -0.711 1
1 548 . 14 1 1 A 47 47 LEU CB C 44 42.208 43.987 -1.779 1
1 552 . 14 1 1 A 47 47 LEU N N 44 127.544 123.829 3.715 1
1 553 . 14 1 1 A 48 48 ARG H H 45 8.706 8.936 -0.230 1
1 554 . 14 1 1 A 48 48 ARG HA H 45 3.918 4.052 -0.134 1
1 561 . 14 1 1 A 48 48 ARG CA C 45 57.765 59.822 -2.057 1
1 562 . 14 1 1 A 48 48 ARG CB C 45 29.686 30.161 -0.475 1
1 565 . 14 1 1 A 48 48 ARG N N 45 128.641 126.440 2.201 1
1 566 . 14 1 1 A 49 49 GLY H H 46 8.543 7.893 0.650 1
1 567 . 14 1 1 A 49 49 GLY HA2 H 46 4.129 4.041 0.088 1
1 568 . 14 1 1 A 49 49 GLY HA3 H 46 3.662 4.043 -0.381 1
1 569 . 14 1 1 A 49 49 GLY CA C 46 44.981 45.381 -0.400 1
1 570 . 14 1 1 A 49 49 GLY N N 46 110.474 105.757 4.717 1
1 571 . 14 1 1 A 50 50 MET H H 47 7.404 7.734 -0.330 1
1 572 . 14 1 1 A 50 50 MET HA H 47 5.226 4.792 0.434 1
1 580 . 14 1 1 A 50 50 MET CA C 47 50.824 52.865 -2.041 1
1 581 . 14 1 1 A 50 50 MET CB C 47 33.186 34.692 -1.506 1
1 584 . 14 1 1 A 50 50 MET N N 47 118.742 119.481 -0.739 1
1 585 . 14 1 1 A 51 51 PRO HA H 48 4.344 4.258 0.086 1
1 592 . 14 1 1 A 51 51 PRO CA C 48 63.591 63.743 -0.152 1
1 593 . 14 1 1 A 51 51 PRO CB C 48 31.942 31.819 0.123 1
1 596 . 14 1 1 A 52 52 ASP H H 49 8.703 8.601 0.102 1
1 597 . 14 1 1 A 52 52 ASP HA H 49 4.392 3.896 0.496 1
1 600 . 14 1 1 A 52 52 ASP CA C 49 56.244 55.516 0.728 1
1 601 . 14 1 1 A 52 52 ASP N N 49 116.361 116.142 0.219 1
1 602 . 14 1 1 A 53 53 CYS H H 50 7.456 6.931 0.525 1
1 603 . 14 1 1 A 53 53 CYS HA H 50 5.799 4.655 1.144 1
1 606 . 14 1 1 A 53 53 CYS CA C 50 58.147 57.085 1.062 1
1 607 . 14 1 1 A 53 53 CYS CB C 50 30.953 29.582 1.371 1
1 608 . 14 1 1 A 53 53 CYS N N 50 114.086 117.553 -3.467 1
1 609 . 14 1 1 A 54 54 TYR H H 51 8.939 8.478 0.461 1
1 610 . 14 1 1 A 54 54 TYR HA H 51 4.662 5.119 -0.457 1
1 617 . 14 1 1 A 54 54 TYR CA C 51 56.444 55.752 0.692 1
1 618 . 14 1 1 A 54 54 TYR CB C 51 43.000 42.196 0.804 1
1 620 . 14 1 1 A 54 54 TYR N N 51 120.722 125.182 -4.460 1
1 621 . 14 1 1 A 55 55 LYS H H 52 8.665 9.014 -0.349 1
1 622 . 14 1 1 A 55 55 LYS HA H 52 5.456 5.240 0.216 1
1 631 . 14 1 1 A 55 55 LYS CA C 52 53.968 54.520 -0.552 1
1 632 . 14 1 1 A 55 55 LYS CB C 52 36.126 35.462 0.664 1
1 636 . 14 1 1 A 55 55 LYS N N 52 117.297 119.276 -1.979 1
1 637 . 14 1 1 A 56 56 ILE H H 53 9.272 8.945 0.327 1
1 638 . 14 1 1 A 56 56 ILE HA H 53 4.428 5.038 -0.610 1
1 648 . 14 1 1 A 56 56 ILE CA C 53 60.803 59.939 0.864 1
1 649 . 14 1 1 A 56 56 ILE CB C 53 40.849 41.295 -0.446 1
1 653 . 14 1 1 A 56 56 ILE N N 53 122.006 124.840 -2.834 1
1 654 . 14 1 1 A 57 57 LYS H H 54 8.745 8.890 -0.145 1
1 655 . 14 1 1 A 57 57 LYS HA H 54 5.093 4.757 0.336 1
1 664 . 14 1 1 A 57 57 LYS CA C 54 54.227 54.556 -0.329 1
1 665 . 14 1 1 A 57 57 LYS CB C 54 35.595 34.290 1.305 1
1 669 . 14 1 1 A 57 57 LYS N N 54 125.752 126.734 -0.982 1
1 670 . 14 1 1 A 58 58 LEU H H 55 8.543 8.935 -0.392 1
1 671 . 14 1 1 A 58 58 LEU HA H 55 4.788 4.605 0.183 1
1 681 . 14 1 1 A 58 58 LEU CA C 55 53.151 54.311 -1.160 1
1 682 . 14 1 1 A 58 58 LEU CB C 55 41.238 42.006 -0.768 1
1 686 . 14 1 1 A 58 58 LEU N N 55 124.173 122.082 2.091 1
1 687 . 14 1 1 A 59 59 ARG HA H 56 4.039 4.094 -0.055 1
1 694 . 14 1 1 A 59 59 ARG CA C 56 59.531 58.720 0.811 1
1 695 . 14 1 1 A 59 59 ARG CB C 56 32.180 29.851 2.329 1
1 698 . 14 1 1 A 60 60 SER HA H 57 4.335 4.697 -0.362 1
1 701 . 14 1 1 A 60 60 SER CA C 57 60.035 58.488 1.547 1
1 702 . 14 1 1 A 60 60 SER CB C 57 62.551 63.566 -1.015 1
1 703 . 14 1 1 A 61 61 SER H H 58 7.605 8.137 -0.532 1
1 704 . 14 1 1 A 61 61 SER HA H 58 4.604 4.786 -0.182 1
1 707 . 14 1 1 A 61 61 SER CA C 58 58.122 59.803 -1.681 1
1 708 . 14 1 1 A 61 61 SER CB C 58 64.520 65.496 -0.976 1
1 709 . 14 1 1 A 61 61 SER N N 58 112.447 117.215 -4.768 1
1 710 . 14 1 1 A 62 62 GLY H H 59 8.214 8.478 -0.264 1
1 711 . 14 1 1 A 62 62 GLY HA2 H 59 4.091 3.909 0.182 1
1 712 . 14 1 1 A 62 62 GLY HA3 H 59 3.824 3.964 -0.140 1
1 713 . 14 1 1 A 62 62 GLY CA C 59 45.562 45.239 0.323 1
1 714 . 14 1 1 A 62 62 GLY N N 59 108.976 109.049 -0.073 1
1 715 . 14 1 1 A 63 63 TYR H H 60 7.283 8.042 -0.759 1
1 716 . 14 1 1 A 63 63 TYR HA H 60 4.619 4.616 0.003 1
1 723 . 14 1 1 A 63 63 TYR CA C 60 60.412 58.396 2.016 1
1 724 . 14 1 1 A 63 63 TYR CB C 60 40.339 39.426 0.913 1
1 727 . 14 1 1 A 63 63 TYR N N 60 117.859 119.945 -2.086 1
1 728 . 14 1 1 A 64 64 ARG H H 61 9.296 9.259 0.037 1
1 729 . 14 1 1 A 64 64 ARG HA H 61 5.634 5.207 0.427 1
1 736 . 14 1 1 A 64 64 ARG CA C 61 54.114 53.843 0.271 1
1 737 . 14 1 1 A 64 64 ARG CB C 61 33.245 34.687 -1.442 1
1 740 . 14 1 1 A 64 64 ARG N N 61 117.912 119.346 -1.434 1
1 741 . 14 1 1 A 65 65 LEU H H 62 9.077 8.879 0.198 1
1 742 . 14 1 1 A 65 65 LEU HA H 62 5.459 5.197 0.262 1
1 752 . 14 1 1 A 65 65 LEU CA C 62 54.114 54.448 -0.334 1
1 753 . 14 1 1 A 65 65 LEU CB C 62 46.977 46.159 0.818 1
1 757 . 14 1 1 A 65 65 LEU N N 62 123.590 121.843 1.747 1
1 758 . 14 1 1 A 66 66 VAL H H 63 8.729 8.813 -0.084 1
1 759 . 14 1 1 A 66 66 VAL HA H 63 5.206 5.096 0.110 1
1 767 . 14 1 1 A 66 66 VAL CA C 63 60.112 60.912 -0.800 1
1 768 . 14 1 1 A 66 66 VAL CB C 63 34.296 33.904 0.392 1
1 771 . 14 1 1 A 66 66 VAL N N 63 123.237 125.750 -2.513 1
1 772 . 14 1 1 A 67 67 TYR H H 64 8.976 8.828 0.148 1
1 773 . 14 1 1 A 67 67 TYR HA H 64 5.745 5.391 0.354 1
1 780 . 14 1 1 A 67 67 TYR CA C 64 53.968 55.322 -1.354 1
1 781 . 14 1 1 A 67 67 TYR CB C 64 42.534 41.757 0.777 1
1 784 . 14 1 1 A 67 67 TYR N N 64 124.227 123.783 0.444 1
1 785 . 14 1 1 A 68 68 GLN H H 65 9.696 8.860 0.836 1
1 786 . 14 1 1 A 68 68 GLN HA H 65 5.640 5.045 0.595 1
1 793 . 14 1 1 A 68 68 GLN CA C 65 52.933 54.482 -1.549 1
1 794 . 14 1 1 A 68 68 GLN CB C 65 33.585 32.553 1.032 1
1 796 . 14 1 1 A 68 68 GLN N N 65 122.541 120.223 2.318 1
1 798 . 14 1 1 A 69 69 VAL H H 66 9.050 8.995 0.055 1
1 799 . 14 1 1 A 69 69 VAL HA H 66 4.513 4.740 -0.227 1
1 807 . 14 1 1 A 69 69 VAL CA C 66 62.534 62.221 0.313 1
1 808 . 14 1 1 A 69 69 VAL CB C 66 33.052 32.858 0.194 1
1 811 . 14 1 1 A 69 69 VAL N N 66 127.437 126.440 0.997 1
1 812 . 14 1 1 A 70 70 ILE H H 67 9.385 9.248 0.137 1
1 813 . 14 1 1 A 70 70 ILE HA H 67 4.475 4.487 -0.012 1
1 823 . 14 1 1 A 70 70 ILE CA C 67 59.863 60.860 -0.997 1
1 824 . 14 1 1 A 70 70 ILE CB C 67 37.487 37.547 -0.060 1
1 828 . 14 1 1 A 70 70 ILE N N 67 129.296 130.814 -1.518 1
1 829 . 14 1 1 A 71 71 ASP H H 68 9.343 9.042 0.301 1
1 830 . 14 1 1 A 71 71 ASP HA H 68 4.595 4.789 -0.194 1
1 833 . 14 1 1 A 71 71 ASP CA C 68 58.841 55.568 3.273 1
1 834 . 14 1 1 A 71 71 ASP CB C 68 40.637 40.688 -0.051 1
1 835 . 14 1 1 A 71 71 ASP N N 68 128.749 127.893 0.856 1
1 836 . 14 1 1 A 72 72 GLU H H 69 9.718 8.776 0.942 1
1 837 . 14 1 1 A 72 72 GLU HA H 69 4.124 4.103 0.021 1
1 842 . 14 1 1 A 72 72 GLU CA C 69 59.335 59.462 -0.127 1
1 843 . 14 1 1 A 72 72 GLU CB C 69 29.131 29.155 -0.024 1
1 845 . 14 1 1 A 72 72 GLU N N 69 118.929 120.019 -1.090 1
1 846 . 14 1 1 A 73 73 LYS H H 70 6.653 7.827 -1.174 1
1 847 . 14 1 1 A 73 73 LYS HA H 70 4.517 4.412 0.105 1
1 856 . 14 1 1 A 73 73 LYS CA C 70 54.587 56.233 -1.646 1
1 857 . 14 1 1 A 73 73 LYS CB C 70 33.843 32.786 1.057 1
1 861 . 14 1 1 A 73 73 LYS N N 70 114.113 117.155 -3.042 1
1 862 . 14 1 1 A 74 74 VAL H H 71 7.832 7.887 -0.055 1
1 863 . 14 1 1 A 74 74 VAL HA H 71 3.012 3.726 -0.714 1
1 871 . 14 1 1 A 74 74 VAL CA C 71 63.090 62.996 0.094 1
1 872 . 14 1 1 A 74 74 VAL CB C 71 29.226 29.204 0.022 1
1 875 . 14 1 1 A 74 74 VAL N N 71 119.223 116.557 2.666 1
1 876 . 14 1 1 A 75 75 VAL H H 72 7.732 8.007 -0.275 1
1 877 . 14 1 1 A 75 75 VAL HA H 72 4.950 5.062 -0.112 1
1 885 . 14 1 1 A 75 75 VAL CA C 72 60.455 60.545 -0.090 1
1 886 . 14 1 1 A 75 75 VAL CB C 72 37.925 35.063 2.862 1
1 889 . 14 1 1 A 75 75 VAL N N 72 117.190 120.374 -3.184 1
1 890 . 14 1 1 A 76 76 VAL H H 73 9.026 8.747 0.279 1
1 891 . 14 1 1 A 76 76 VAL HA H 73 4.349 4.717 -0.368 1
1 899 . 14 1 1 A 76 76 VAL CA C 73 62.527 61.783 0.744 1
1 900 . 14 1 1 A 76 76 VAL CB C 73 32.882 31.606 1.276 1
1 903 . 14 1 1 A 76 76 VAL N N 73 128.347 127.630 0.717 1
1 904 . 14 1 1 A 77 77 PHE H H 74 9.629 8.872 0.757 1
1 905 . 14 1 1 A 77 77 PHE HA H 74 5.898 4.914 0.984 1
1 913 . 14 1 1 A 77 77 PHE CA C 74 51.863 56.038 -4.175 1
1 914 . 14 1 1 A 77 77 PHE CB C 74 40.214 40.324 -0.110 1
1 918 . 14 1 1 A 77 77 PHE N N 74 128.802 129.014 -0.212 1
1 919 . 14 1 1 A 78 78 VAL H H 75 9.535 8.703 0.832 1
1 920 . 14 1 1 A 78 78 VAL HA H 75 3.712 3.888 -0.176 1
1 928 . 14 1 1 A 78 78 VAL CA C 75 63.939 63.012 0.927 1
1 929 . 14 1 1 A 78 78 VAL CB C 75 31.079 31.346 -0.267 1
1 932 . 14 1 1 A 78 78 VAL N N 75 128.588 127.542 1.046 1
1 933 . 14 1 1 A 79 79 ILE H H 76 8.515 8.903 -0.388 1
1 934 . 14 1 1 A 79 79 ILE HA H 76 3.443 3.735 -0.292 1
1 944 . 14 1 1 A 79 79 ILE CA C 76 61.950 62.469 -0.519 1
1 945 . 14 1 1 A 79 79 ILE CB C 76 40.800 38.445 2.355 1
1 949 . 14 1 1 A 79 79 ILE N N 76 126.287 128.973 -2.686 1
1 950 . 14 1 1 A 80 80 SER H H 77 7.180 7.675 -0.495 1
1 951 . 14 1 1 A 80 80 SER HA H 77 4.506 4.855 -0.349 1
1 954 . 14 1 1 A 80 80 SER CA C 77 57.464 57.156 0.308 1
1 955 . 14 1 1 A 80 80 SER CB C 77 64.912 65.448 -0.536 1
1 956 . 14 1 1 A 80 80 SER N N 77 111.625 113.615 -1.990 1
1 957 . 14 1 1 A 81 81 VAL H H 78 8.641 8.586 0.055 1
1 958 . 14 1 1 A 81 81 VAL HA H 78 5.066 5.062 0.004 1
1 966 . 14 1 1 A 81 81 VAL CA C 78 60.913 60.822 0.091 1
1 967 . 14 1 1 A 81 81 VAL CB C 78 35.010 35.052 -0.042 1
1 970 . 14 1 1 A 81 81 VAL N N 78 126.742 122.931 3.811 1
1 971 . 14 1 1 A 82 82 GLY H H 79 8.658 8.475 0.183 1
1 972 . 14 1 1 A 82 82 GLY HA2 H 79 4.370 4.319 0.051 1
1 973 . 14 1 1 A 82 82 GLY HA3 H 79 4.160 4.433 -0.273 1
1 974 . 14 1 1 A 82 82 GLY CA C 79 46.036 44.676 1.360 1
1 975 . 14 1 1 A 82 82 GLY N N 79 111.223 111.964 -0.741 1
1 976 . 14 1 1 A 83 83 LYS H H 80 8.569 8.585 -0.016 1
1 977 . 14 1 1 A 83 83 LYS HA H 80 4.369 4.945 -0.576 1
1 986 . 14 1 1 A 83 83 LYS CA C 80 54.855 55.385 -0.530 1
1 987 . 14 1 1 A 83 83 LYS CB C 80 34.866 33.177 1.689 1
1 991 . 14 1 1 A 83 83 LYS N N 80 121.257 117.882 3.375 1
1 992 . 14 1 1 A 84 84 ALA H H 81 8.334 8.709 -0.375 1
1 993 . 14 1 1 A 84 84 ALA HA H 81 4.274 5.026 -0.752 1
1 997 . 14 1 1 A 84 84 ALA CA C 81 52.003 51.334 0.669 1
1 998 . 14 1 1 A 84 84 ALA CB C 81 19.185 20.765 -1.580 1
1 999 . 14 1 1 A 84 84 ALA N N 81 126.662 127.766 -1.104 1
1 1000 . 14 1 1 A 85 85 GLU H H 82 8.638 8.985 -0.347 1
1 1001 . 14 1 1 A 85 85 GLU HA H 82 4.214 4.978 -0.764 1
1 1006 . 14 1 1 A 85 85 GLU CA C 82 56.366 55.581 0.785 1
1 1007 . 14 1 1 A 85 85 GLU CB C 82 30.238 32.307 -2.069 1
1 1009 . 14 1 1 A 85 85 GLU N N 82 121.819 115.816 6.003 1
1 1010 . 14 1 1 A 86 86 ALA H H 83 8.462 8.404 0.058 1
1 1011 . 14 1 1 A 86 86 ALA HA H 83 4.341 4.803 -0.462 1
1 1015 . 14 1 1 A 86 86 ALA CA C 83 52.156 51.805 0.351 1
1 1016 . 14 1 1 A 86 86 ALA CB C 83 19.206 18.870 0.336 1
1 1017 . 14 1 1 A 86 86 ALA N N 83 125.350 122.161 3.189 1
1 1018 . 14 1 1 A 87 87 SER H H 84 8.309 8.833 -0.524 1
1 1019 . 14 1 1 A 87 87 SER HA H 84 4.400 4.694 -0.294 1
1 1022 . 14 1 1 A 87 87 SER CA C 84 58.058 59.318 -1.260 1
1 1023 . 14 1 1 A 87 87 SER CB C 84 63.845 65.421 -1.576 1
1 1024 . 14 1 1 A 87 87 SER N N 84 115.397 116.520 -1.123 1
1 1025 . 14 1 1 A 88 88 GLU H H 85 8.443 8.936 -0.493 1
1 1026 . 14 1 1 A 88 88 GLU HA H 85 4.318 4.140 0.178 1
1 1031 . 14 1 1 A 88 88 GLU CA C 85 56.465 56.606 -0.141 1
1 1032 . 14 1 1 A 88 88 GLU CB C 85 30.464 30.346 0.118 1
1 1034 . 14 1 1 A 88 88 GLU N N 85 122.947 120.546 2.401 1
1 1035 . 14 1 1 A 89 89 VAL H H 86 8.098 7.281 0.817 1
1 1036 . 14 1 1 A 89 89 VAL HA H 86 4.044 3.629 0.415 1
1 1044 . 14 1 1 A 89 89 VAL CA C 86 62.293 66.394 -4.101 1
1 1045 . 14 1 1 A 89 89 VAL CB C 86 32.703 31.811 0.892 1
1 1048 . 14 1 1 A 89 89 VAL N N 86 120.884 120.896 -0.012 1
1 1049 . 14 1 1 A 90 90 TYR H H 87 8.313 7.987 0.326 1
1 1050 . 14 1 1 A 90 90 TYR HA H 87 4.623 4.489 0.134 1
1 1057 . 14 1 1 A 90 90 TYR CA C 87 57.791 58.200 -0.409 1
1 1058 . 14 1 1 A 90 90 TYR CB C 87 38.795 37.895 0.900 1
1 1061 . 14 1 1 A 90 90 TYR N N 87 124.634 118.596 6.038 1
1 1062 . 14 1 1 A 91 91 SER H H 88 8.140 7.534 0.606 1
1 1063 . 14 1 1 A 91 91 SER HA H 88 4.411 4.164 0.247 1
1 1066 . 14 1 1 A 91 91 SER CA C 88 58.396 61.288 -2.892 1
1 1067 . 14 1 1 A 91 91 SER CB C 88 63.703 62.770 0.933 1
1 1068 . 14 1 1 A 91 91 SER N N 88 118.447 117.026 1.421 1
1 1069 . 14 1 1 A 92 92 GLU H H 89 8.400 7.393 1.007 1
1 1070 . 14 1 1 A 92 92 GLU HA H 89 4.245 4.217 0.028 1
1 1075 . 14 1 1 A 92 92 GLU CA C 89 56.465 57.822 -1.357 1
1 1076 . 14 1 1 A 92 92 GLU CB C 89 29.471 29.858 -0.387 1
1 1078 . 14 1 1 A 92 92 GLU N N 89 122.947 117.534 5.413 1
1 1079 . 14 1 1 A 93 93 ALA H H 90 8.224 7.983 0.241 1
1 1080 . 14 1 1 A 93 93 ALA HA H 90 4.287 3.983 0.304 1
1 1084 . 14 1 1 A 93 93 ALA CA C 90 52.598 53.256 -0.658 1
1 1085 . 14 1 1 A 93 93 ALA CB C 90 18.864 17.273 1.591 1
1 1086 . 14 1 1 A 93 93 ALA N N 90 124.404 120.871 3.533 1
1 1087 . 14 1 1 A 94 94 VAL H H 91 7.971 7.585 0.386 1
1 1088 . 14 1 1 A 94 94 VAL HA H 91 4.060 4.049 0.011 1
1 1096 . 14 1 1 A 94 94 VAL CA C 91 62.072 61.831 0.241 1
1 1097 . 14 1 1 A 94 94 VAL CB C 91 32.601 32.843 -0.242 1
1 1100 . 14 1 1 A 94 94 VAL N N 91 119.330 113.566 5.764 1
1 1101 . 14 1 1 A 95 95 LYS H H 92 8.271 8.833 -0.562 1
1 1102 . 14 1 1 A 95 95 LYS HA H 92 4.313 4.256 0.057 1
1 1111 . 14 1 1 A 95 95 LYS CA C 92 56.078 58.093 -2.015 1
1 1112 . 14 1 1 A 95 95 LYS CB C 92 32.924 33.327 -0.403 1
1 1116 . 14 1 1 A 95 95 LYS N N 92 124.941 120.843 4.098 1
1 1117 . 14 1 1 A 96 96 ARG H H 93 8.317 7.631 0.686 1
1 1118 . 14 1 1 A 96 96 ARG HA H 93 4.360 4.492 -0.132 1
1 1125 . 14 1 1 A 96 96 ARG CA C 93 55.901 54.638 1.263 1
1 1126 . 14 1 1 A 96 96 ARG CB C 93 30.906 29.368 1.538 1
1 1129 . 14 1 1 A 96 96 ARG N N 93 122.918 119.709 3.209 1
1 1130 . 14 1 1 A 97 97 ILE H H 94 8.251 8.064 0.187 1
1 1131 . 14 1 1 A 97 97 ILE HA H 94 4.184 4.089 0.095 1
1 1141 . 14 1 1 A 97 97 ILE CA C 94 60.946 64.050 -3.104 1
1 1142 . 14 1 1 A 97 97 ILE CB C 94 38.298 38.742 -0.444 1
1 1146 . 14 1 1 A 97 97 ILE N N 94 123.301 124.534 -1.233 1
1 1191 . 14 2 2 B 5 5 GLN H H 48 8.533 8.007 0.526 1
1 1192 . 14 2 2 B 5 5 GLN HA H 48 4.390 4.561 -0.171 1
1 1199 . 14 2 2 B 5 5 GLN C C 48 175.953 175.209 0.744 1
1 1200 . 14 2 2 B 5 5 GLN CA C 48 55.760 55.161 0.599 1
1 1201 . 14 2 2 B 5 5 GLN CB C 48 29.225 28.587 0.638 1
1 1203 . 14 2 2 B 5 5 GLN N N 48 122.121 114.751 7.370 1
1 1205 . 14 2 2 B 6 6 THR H H 49 8.281 8.450 -0.169 1
1 1206 . 14 2 2 B 6 6 THR HA H 49 4.316 4.852 -0.536 1
1 1211 . 14 2 2 B 6 6 THR C C 49 174.156 173.738 0.418 1
1 1212 . 14 2 2 B 6 6 THR CA C 49 61.724 60.932 0.792 1
1 1213 . 14 2 2 B 6 6 THR CB C 49 69.452 69.151 0.301 1
1 1215 . 14 2 2 B 6 6 THR N N 49 116.639 116.778 -0.139 1
1 1216 . 14 2 2 B 7 7 LEU H H 50 8.328 8.820 -0.492 1
1 1217 . 14 2 2 B 7 7 LEU HA H 50 4.381 4.771 -0.390 1
1 1227 . 14 2 2 B 7 7 LEU C C 50 176.985 175.556 1.429 1
1 1228 . 14 2 2 B 7 7 LEU CA C 50 55.093 54.352 0.741 1
1 1229 . 14 2 2 B 7 7 LEU CB C 50 42.122 40.288 1.834 1
1 1233 . 14 2 2 B 7 7 LEU N N 50 125.001 128.379 -3.378 1
1 1234 . 14 2 2 B 8 8 LEU H H 51 8.264 8.281 -0.017 1
1 1235 . 14 2 2 B 8 8 LEU HA H 51 4.410 5.327 -0.917 1
1 1245 . 14 2 2 B 8 8 LEU C C 51 177.235 175.295 1.940 1
1 1246 . 14 2 2 B 8 8 LEU CA C 51 54.936 53.006 1.930 1
1 1247 . 14 2 2 B 8 8 LEU CB C 51 42.292 46.407 -4.115 1
1 1251 . 14 2 2 B 8 8 LEU N N 51 123.073 120.711 2.362 1
1 1252 . 14 2 2 B 9 9 SER H H 52 8.499 8.944 -0.445 1
1 1253 . 14 2 2 B 9 9 SER HA H 52 4.410 4.889 -0.479 1
1 1256 . 14 2 2 B 9 9 SER C C 52 174.083 173.726 0.357 1
1 1257 . 14 2 2 B 9 9 SER CA C 52 57.757 55.846 1.911 1
1 1258 . 14 2 2 B 9 9 SER CB C 52 63.734 65.296 -1.562 1
1 1259 . 14 2 2 B 9 9 SER N N 52 117.150 113.992 3.158 1
1 1260 . 14 2 2 B 10 10 ASP H H 53 8.416 8.819 -0.403 1
1 1261 . 14 2 2 B 10 10 ASP HA H 53 4.575 4.487 0.088 1
1 1264 . 14 2 2 B 10 10 ASP C C 53 176.911 178.218 -1.307 1
1 1265 . 14 2 2 B 10 10 ASP CA C 53 54.678 56.206 -1.528 1
1 1266 . 14 2 2 B 10 10 ASP CB C 53 40.771 40.730 0.041 1
1 1267 . 14 2 2 B 10 10 ASP N N 53 122.632 125.942 -3.310 1
1 1268 . 14 2 2 B 11 11 GLU H H 54 8.486 8.541 -0.055 1
1 1269 . 14 2 2 B 11 11 GLU HA H 54 4.155 4.075 0.080 1
1 1274 . 14 2 2 B 11 11 GLU C C 54 177.220 178.279 -1.059 1
1 1275 . 14 2 2 B 11 11 GLU CA C 54 58.488 59.169 -0.681 1
1 1276 . 14 2 2 B 11 11 GLU CB C 54 29.615 28.788 0.827 1
1 1278 . 14 2 2 B 11 11 GLU N N 54 121.842 117.271 4.571 1
1 1279 . 14 2 2 B 12 12 ASP H H 55 8.301 8.204 0.097 1
1 1280 . 14 2 2 B 12 12 ASP HA H 55 4.470 4.362 0.108 1
1 1283 . 14 2 2 B 12 12 ASP C C 55 177.161 178.664 -1.503 1
1 1284 . 14 2 2 B 12 12 ASP CA C 55 55.901 57.139 -1.238 1
1 1285 . 14 2 2 B 12 12 ASP CB C 55 40.503 40.208 0.295 1
1 1286 . 14 2 2 B 12 12 ASP N N 55 120.309 120.399 -0.090 1
1 1287 . 14 2 2 B 13 13 ALA H H 56 8.114 8.231 -0.117 1
1 1288 . 14 2 2 B 13 13 ALA HA H 56 3.986 4.041 -0.055 1
1 1292 . 14 2 2 B 13 13 ALA C C 56 180.446 179.344 1.102 1
1 1293 . 14 2 2 B 13 13 ALA CA C 56 55.422 54.957 0.465 1
1 1294 . 14 2 2 B 13 13 ALA CB C 56 18.001 18.306 -0.305 1
1 1295 . 14 2 2 B 13 13 ALA N N 56 122.864 122.838 0.026 1
1 1296 . 14 2 2 B 14 14 GLU H H 57 8.105 7.388 0.717 1
1 1297 . 14 2 2 B 14 14 GLU HA H 57 4.010 4.157 -0.147 1
1 1302 . 14 2 2 B 14 14 GLU C C 57 178.914 179.112 -0.198 1
1 1303 . 14 2 2 B 14 14 GLU CA C 57 59.175 58.476 0.699 1
1 1304 . 14 2 2 B 14 14 GLU CB C 57 28.904 29.623 -0.719 1
1 1306 . 14 2 2 B 14 14 GLU N N 57 117.931 119.767 -1.836 1
1 1307 . 14 2 2 B 15 15 LEU H H 58 7.813 8.100 -0.287 1
1 1308 . 14 2 2 B 15 15 LEU HA H 58 4.062 4.074 -0.012 1
1 1318 . 14 2 2 B 15 15 LEU C C 58 178.634 179.608 -0.974 1
1 1319 . 14 2 2 B 15 15 LEU CA C 58 56.960 58.013 -1.053 1
1 1320 . 14 2 2 B 15 15 LEU CB C 58 41.973 41.194 0.779 1
1 1324 . 14 2 2 B 15 15 LEU N N 58 119.867 119.940 -0.073 1
1 1325 . 14 2 2 B 16 16 VAL H H 59 8.491 8.239 0.252 1
1 1326 . 14 2 2 B 16 16 VAL HA H 59 3.365 3.545 -0.180 1
1 1334 . 14 2 2 B 16 16 VAL C C 59 177.147 178.035 -0.888 1
1 1335 . 14 2 2 B 16 16 VAL CA C 59 67.142 66.862 0.280 1
1 1336 . 14 2 2 B 16 16 VAL CB C 59 31.176 31.438 -0.262 1
1 1339 . 14 2 2 B 16 16 VAL N N 59 118.357 120.217 -1.860 1
1 1340 . 14 2 2 B 17 17 GLU H H 60 7.411 8.089 -0.678 1
1 1341 . 14 2 2 B 17 17 GLU HA H 60 4.015 4.084 -0.069 1
1 1346 . 14 2 2 B 17 17 GLU C C 60 179.636 178.718 0.918 1
1 1347 . 14 2 2 B 17 17 GLU CA C 60 59.203 59.043 0.160 1
1 1348 . 14 2 2 B 17 17 GLU CB C 60 28.970 29.099 -0.129 1
1 1350 . 14 2 2 B 17 17 GLU N N 60 117.103 119.401 -2.298 1
1 1351 . 14 2 2 B 18 18 ILE H H 61 7.574 7.968 -0.394 1
1 1352 . 14 2 2 B 18 18 ILE HA H 61 3.830 3.694 0.136 1
1 1362 . 14 2 2 B 18 18 ILE C C 61 178.001 178.489 -0.488 1
1 1363 . 14 2 2 B 18 18 ILE CA C 61 63.982 64.916 -0.934 1
1 1364 . 14 2 2 B 18 18 ILE CB C 61 38.483 37.804 0.679 1
1 1368 . 14 2 2 B 18 18 ILE N N 61 120.727 121.473 -0.746 1
1 1369 . 14 2 2 B 19 19 VAL H H 62 8.294 8.112 0.182 1
1 1370 . 14 2 2 B 19 19 VAL HA H 62 3.360 3.801 -0.441 1
1 1378 . 14 2 2 B 19 19 VAL C C 62 177.338 177.616 -0.278 1
1 1379 . 14 2 2 B 19 19 VAL CA C 62 66.364 65.415 0.949 1
1 1380 . 14 2 2 B 19 19 VAL CB C 62 31.203 31.485 -0.282 1
1 1383 . 14 2 2 B 19 19 VAL N N 62 119.635 121.427 -1.792 1
1 1384 . 14 2 2 B 20 20 LYS H H 63 8.780 8.135 0.645 1
1 1385 . 14 2 2 B 20 20 LYS HA H 63 3.784 3.989 -0.205 1
1 1394 . 14 2 2 B 20 20 LYS C C 63 179.209 178.622 0.587 1
1 1395 . 14 2 2 B 20 20 LYS CA C 63 60.096 58.885 1.211 1
1 1396 . 14 2 2 B 20 20 LYS CB C 63 32.673 31.924 0.749 1
1 1400 . 14 2 2 B 20 20 LYS N N 63 118.009 120.279 -2.270 1
1 1401 . 14 2 2 B 21 21 GLU H H 64 7.567 7.585 -0.018 1
1 1402 . 14 2 2 B 21 21 GLU HA H 64 4.084 4.010 0.074 1
1 1407 . 14 2 2 B 21 21 GLU C C 64 179.592 179.424 0.168 1
1 1408 . 14 2 2 B 21 21 GLU CA C 64 58.728 59.011 -0.283 1
1 1409 . 14 2 2 B 21 21 GLU CB C 64 28.974 29.520 -0.546 1
1 1411 . 14 2 2 B 21 21 GLU N N 64 117.452 119.696 -2.244 1
1 1412 . 14 2 2 B 22 22 ARG H H 65 8.156 7.826 0.330 1
1 1413 . 14 2 2 B 22 22 ARG HA H 65 4.053 4.189 -0.136 1
1 1420 . 14 2 2 B 22 22 ARG C C 65 177.986 177.214 0.772 1
1 1421 . 14 2 2 B 22 22 ARG CA C 65 61.243 57.885 3.358 1
1 1422 . 14 2 2 B 22 22 ARG CB C 65 29.980 29.947 0.033 1
1 1425 . 14 2 2 B 22 22 ARG N N 65 119.635 119.939 -0.304 1
1 1426 . 14 2 2 B 23 23 LEU H H 66 8.436 7.748 0.688 1
1 1427 . 14 2 2 B 23 23 LEU HA H 66 4.106 4.197 -0.091 1
1 1437 . 14 2 2 B 23 23 LEU C C 66 178.620 179.075 -0.455 1
1 1438 . 14 2 2 B 23 23 LEU CA C 66 56.667 55.918 0.749 1
1 1439 . 14 2 2 B 23 23 LEU CB C 66 41.465 42.194 -0.729 1
1 1443 . 14 2 2 B 23 23 LEU N N 66 115.686 117.508 -1.822 1
1 1444 . 14 2 2 B 24 24 ARG H H 67 7.404 8.263 -0.859 1
1 1445 . 14 2 2 B 24 24 ARG HA H 67 4.165 4.173 -0.008 1
1 1452 . 14 2 2 B 24 24 ARG C C 67 177.147 176.491 0.656 1
1 1453 . 14 2 2 B 24 24 ARG CA C 67 59.004 57.964 1.040 1
1 1454 . 14 2 2 B 24 24 ARG CB C 67 30.472 29.953 0.519 1
1 1457 . 14 2 2 B 24 24 ARG N N 67 118.427 117.836 0.591 1
1 1458 . 14 2 2 B 25 25 ASN H H 68 7.322 8.017 -0.695 1
1 1459 . 14 2 2 B 25 25 ASN HA H 68 5.064 5.230 -0.166 1
1 1464 . 14 2 2 B 25 25 ASN CA C 68 51.014 50.433 0.581 1
1 1465 . 14 2 2 B 25 25 ASN CB C 68 38.696 38.987 -0.291 1
1 1466 . 14 2 2 B 25 25 ASN N N 68 114.083 117.921 -3.838 1
1 1468 . 14 2 2 B 26 26 PRO HA H 69 4.521 4.451 0.070 1
1 1475 . 14 2 2 B 26 26 PRO C C 69 177.323 177.242 0.081 1
1 1476 . 14 2 2 B 26 26 PRO CA C 69 63.698 65.873 -2.175 1
1 1477 . 14 2 2 B 26 26 PRO CB C 69 33.286 31.572 1.714 1
1 1480 . 14 2 2 B 27 27 LYS H H 70 8.672 7.964 0.708 1
1 1481 . 14 2 2 B 27 27 LYS HA H 70 4.980 3.955 1.025 1
1 1490 . 14 2 2 B 27 27 LYS CA C 70 52.767 56.497 -3.730 1
1 1491 . 14 2 2 B 27 27 LYS CB C 70 33.540 31.038 2.502 1
1 1495 . 14 2 2 B 27 27 LYS N N 70 121.210 115.471 5.739 1
1 1496 . 14 2 2 B 28 28 PRO HA H 71 4.467 4.725 -0.258 1
1 1503 . 14 2 2 B 28 28 PRO C C 71 177.235 175.665 1.570 1
1 1504 . 14 2 2 B 28 28 PRO CA C 71 63.859 62.316 1.543 1
1 1505 . 14 2 2 B 28 28 PRO CB C 71 32.632 32.741 -0.109 1
1 1508 . 14 2 2 B 29 29 VAL H H 72 9.036 8.512 0.524 1
1 1509 . 14 2 2 B 29 29 VAL HA H 72 4.155 4.425 -0.270 1
1 1517 . 14 2 2 B 29 29 VAL C C 72 174.554 175.252 -0.698 1
1 1518 . 14 2 2 B 29 29 VAL CA C 72 61.506 60.807 0.699 1
1 1519 . 14 2 2 B 29 29 VAL CB C 72 34.764 33.797 0.967 1
1 1522 . 14 2 2 B 29 29 VAL N N 72 124.322 121.448 2.874 1
1 1523 . 14 2 2 B 30 30 ARG H H 73 8.437 8.645 -0.208 1
1 1524 . 14 2 2 B 30 30 ARG HA H 73 5.195 4.440 0.755 1
1 1531 . 14 2 2 B 30 30 ARG C C 73 176.248 176.031 0.217 1
1 1532 . 14 2 2 B 30 30 ARG CA C 73 55.189 56.884 -1.695 1
1 1533 . 14 2 2 B 30 30 ARG CB C 73 27.764 30.701 -2.937 1
1 1536 . 14 2 2 B 30 30 ARG N N 73 129.461 128.289 1.172 1
1 1537 . 14 2 2 B 31 31 VAL H H 74 8.822 8.830 -0.008 1
1 1538 . 14 2 2 B 31 31 VAL HA H 74 4.889 5.081 -0.192 1
1 1546 . 14 2 2 B 31 31 VAL C C 74 173.965 173.871 0.094 1
1 1547 . 14 2 2 B 31 31 VAL CA C 74 59.055 59.095 -0.040 1
1 1548 . 14 2 2 B 31 31 VAL CB C 74 35.653 36.413 -0.760 1
1 1551 . 14 2 2 B 31 31 VAL N N 74 123.375 119.560 3.815 1
1 1552 . 14 2 2 B 32 32 THR H H 75 7.855 8.381 -0.526 1
1 1553 . 14 2 2 B 32 32 THR HA H 75 4.730 5.066 -0.336 1
1 1558 . 14 2 2 B 32 32 THR C C 75 175.865 175.387 0.478 1
1 1559 . 14 2 2 B 32 32 THR CA C 75 59.052 59.175 -0.123 1
1 1560 . 14 2 2 B 32 32 THR CB C 75 71.228 72.016 -0.788 1
1 1562 . 14 2 2 B 32 32 THR N N 75 109.507 110.884 -1.377 1
1 1563 . 14 2 2 B 33 33 LEU H H 76 8.841 8.914 -0.073 1
1 1564 . 14 2 2 B 33 33 LEU HA H 76 3.773 4.064 -0.291 1
1 1574 . 14 2 2 B 33 33 LEU C C 76 178.737 178.682 0.055 1
1 1575 . 14 2 2 B 33 33 LEU CA C 76 57.892 57.608 0.284 1
1 1576 . 14 2 2 B 33 33 LEU CB C 76 41.057 41.363 -0.306 1
1 1580 . 14 2 2 B 33 33 LEU N N 76 121.099 122.589 -1.490 1
1 1581 . 14 2 2 B 34 34 ASP H H 77 7.983 8.114 -0.131 1
1 1582 . 14 2 2 B 34 34 ASP HA H 77 4.431 4.378 0.053 1
1 1585 . 14 2 2 B 34 34 ASP C C 77 177.088 177.530 -0.442 1
1 1586 . 14 2 2 B 34 34 ASP CA C 77 55.837 56.709 -0.872 1
1 1587 . 14 2 2 B 34 34 ASP CB C 77 40.498 40.850 -0.352 1
1 1588 . 14 2 2 B 34 34 ASP N N 77 113.851 119.932 -6.081 1
1 1589 . 14 2 2 B 35 35 GLU H H 78 7.561 7.963 -0.402 1
1 1590 . 14 2 2 B 35 35 GLU HA H 78 4.320 4.352 -0.032 1
1 1595 . 14 2 2 B 35 35 GLU C C 78 175.482 176.451 -0.969 1
1 1596 . 14 2 2 B 35 35 GLU CA C 78 55.918 56.306 -0.388 1
1 1597 . 14 2 2 B 35 35 GLU CB C 78 30.767 29.605 1.162 1
1 1599 . 14 2 2 B 35 35 GLU N N 78 117.508 115.047 2.461 1
1 15 . 15 1 1 A 5 5 ALA H H 2 8.098 8.958 -0.860 1
1 16 . 15 1 1 A 5 5 ALA HA H 2 4.389 4.300 0.089 1
1 20 . 15 1 1 A 5 5 ALA CA C 2 51.852 53.144 -1.292 1
1 21 . 15 1 1 A 5 5 ALA CB C 2 19.420 20.194 -0.774 1
1 22 . 15 1 1 A 5 5 ALA N N 2 125.572 128.690 -3.118 1
1 23 . 15 1 1 A 6 6 TYR H H 3 8.402 7.955 0.447 1
1 24 . 15 1 1 A 6 6 TYR HA H 3 4.236 4.599 -0.363 1
1 31 . 15 1 1 A 6 6 TYR CA C 3 57.802 57.130 0.672 1
1 32 . 15 1 1 A 6 6 TYR CB C 3 39.608 39.843 -0.235 1
1 35 . 15 1 1 A 6 6 TYR N N 3 120.730 116.146 4.584 1
1 36 . 15 1 1 A 7 7 PHE H H 4 8.958 8.862 0.096 1
1 37 . 15 1 1 A 7 7 PHE HA H 4 4.509 4.841 -0.332 1
1 45 . 15 1 1 A 7 7 PHE CA C 4 57.936 58.339 -0.403 1
1 46 . 15 1 1 A 7 7 PHE CB C 4 40.613 39.693 0.920 1
1 50 . 15 1 1 A 7 7 PHE N N 4 118.436 121.967 -3.531 1
1 51 . 15 1 1 A 8 8 LEU H H 5 8.711 8.681 0.030 1
1 52 . 15 1 1 A 8 8 LEU HA H 5 5.336 5.256 0.080 1
1 62 . 15 1 1 A 8 8 LEU CA C 5 53.391 53.772 -0.381 1
1 63 . 15 1 1 A 8 8 LEU CB C 5 44.716 45.212 -0.496 1
1 67 . 15 1 1 A 8 8 LEU N N 5 122.810 122.924 -0.114 1
1 68 . 15 1 1 A 9 9 ASP H H 6 9.145 8.771 0.374 1
1 69 . 15 1 1 A 9 9 ASP HA H 6 5.999 5.397 0.602 1
1 72 . 15 1 1 A 9 9 ASP CA C 6 51.759 52.759 -1.000 1
1 73 . 15 1 1 A 9 9 ASP CB C 6 44.757 45.563 -0.806 1
1 74 . 15 1 1 A 9 9 ASP N N 6 124.570 125.139 -0.569 1
1 75 . 15 1 1 A 10 10 PHE H H 7 9.884 9.226 0.658 1
1 76 . 15 1 1 A 10 10 PHE HA H 7 5.231 5.110 0.121 1
1 83 . 15 1 1 A 10 10 PHE CA C 7 55.321 56.723 -1.402 1
1 84 . 15 1 1 A 10 10 PHE CB C 7 42.863 43.352 -0.489 1
1 88 . 15 1 1 A 10 10 PHE N N 7 123.156 119.235 3.921 1
1 89 . 15 1 1 A 11 11 ASP H H 8 8.986 8.745 0.241 1
1 90 . 15 1 1 A 11 11 ASP HA H 8 4.924 4.838 0.086 1
1 93 . 15 1 1 A 11 11 ASP CA C 8 55.122 54.802 0.320 1
1 94 . 15 1 1 A 11 11 ASP CB C 8 44.453 42.971 1.482 1
1 95 . 15 1 1 A 11 11 ASP N N 8 123.103 124.344 -1.241 1
1 96 . 15 1 1 A 12 12 GLU H H 9 9.685 9.207 0.478 1
1 97 . 15 1 1 A 12 12 GLU HA H 9 3.984 3.936 0.048 1
1 102 . 15 1 1 A 12 12 GLU CA C 9 60.974 60.114 0.860 1
1 103 . 15 1 1 A 12 12 GLU CB C 9 31.222 29.651 1.571 1
1 105 . 15 1 1 A 12 12 GLU N N 9 128.730 126.536 2.194 1
1 106 . 15 1 1 A 13 13 ARG H H 10 9.626 8.263 1.363 1
1 107 . 15 1 1 A 13 13 ARG HA H 10 4.063 4.003 0.060 1
1 114 . 15 1 1 A 13 13 ARG CA C 10 59.013 59.003 0.010 1
1 115 . 15 1 1 A 13 13 ARG CB C 10 30.124 30.043 0.081 1
1 118 . 15 1 1 A 13 13 ARG N N 10 117.930 120.172 -2.242 1
1 119 . 15 1 1 A 14 14 ALA H H 11 7.268 8.333 -1.065 1
1 120 . 15 1 1 A 14 14 ALA HA H 11 5.323 4.164 1.159 1
1 124 . 15 1 1 A 14 14 ALA CA C 11 53.013 55.039 -2.026 1
1 125 . 15 1 1 A 14 14 ALA CB C 11 18.072 18.711 -0.639 1
1 126 . 15 1 1 A 14 14 ALA N N 11 122.063 122.240 -0.177 1
1 127 . 15 1 1 A 15 15 LEU H H 12 8.773 7.931 0.842 1
1 128 . 15 1 1 A 15 15 LEU HA H 12 4.318 2.542 1.776 1
1 138 . 15 1 1 A 15 15 LEU CA C 12 57.404 57.335 0.069 1
1 139 . 15 1 1 A 15 15 LEU CB C 12 41.842 41.121 0.721 1
1 143 . 15 1 1 A 15 15 LEU N N 12 121.956 118.855 3.101 1
1 144 . 15 1 1 A 16 16 LYS H H 13 7.515 7.813 -0.298 1
1 145 . 15 1 1 A 16 16 LYS HA H 13 4.099 3.894 0.205 1
1 154 . 15 1 1 A 16 16 LYS CA C 13 59.837 59.139 0.698 1
1 155 . 15 1 1 A 16 16 LYS CB C 13 32.297 32.168 0.129 1
1 159 . 15 1 1 A 16 16 LYS N N 13 118.250 118.167 0.083 1
1 160 . 15 1 1 A 17 17 GLU H H 14 7.416 7.574 -0.158 1
1 161 . 15 1 1 A 17 17 GLU HA H 14 3.959 4.064 -0.105 1
1 166 . 15 1 1 A 17 17 GLU CA C 14 59.458 59.124 0.334 1
1 167 . 15 1 1 A 17 17 GLU CB C 14 29.644 29.508 0.136 1
1 169 . 15 1 1 A 17 17 GLU N N 14 118.330 119.030 -0.700 1
1 170 . 15 1 1 A 18 18 TRP H H 15 9.095 7.421 1.674 1
1 171 . 15 1 1 A 18 18 TRP HA H 15 4.013 4.584 -0.571 1
1 178 . 15 1 1 A 18 18 TRP CA C 15 60.476 58.777 1.699 1
1 179 . 15 1 1 A 18 18 TRP CB C 15 29.644 28.915 0.729 1
1 182 . 15 1 1 A 18 18 TRP N N 15 121.770 119.114 2.656 1
1 183 . 15 1 1 A 19 19 ARG H H 16 8.060 7.292 0.768 1
1 184 . 15 1 1 A 19 19 ARG HA H 16 4.030 4.119 -0.089 1
1 191 . 15 1 1 A 19 19 ARG CA C 16 57.993 58.931 -0.938 1
1 192 . 15 1 1 A 19 19 ARG CB C 16 29.948 29.368 0.580 1
1 195 . 15 1 1 A 19 19 ARG N N 16 113.396 122.193 -8.797 1
1 196 . 15 1 1 A 20 20 LYS H H 17 7.274 7.838 -0.564 1
1 197 . 15 1 1 A 20 20 LYS HA H 17 4.311 4.074 0.237 1
1 206 . 15 1 1 A 20 20 LYS CA C 17 57.183 58.885 -1.702 1
1 207 . 15 1 1 A 20 20 LYS CB C 17 32.106 31.986 0.120 1
1 211 . 15 1 1 A 20 20 LYS N N 17 116.232 118.339 -2.107 1
1 212 . 15 1 1 A 21 21 LEU H H 18 7.359 7.383 -0.024 1
1 213 . 15 1 1 A 21 21 LEU HA H 18 4.074 4.633 -0.559 1
1 223 . 15 1 1 A 21 21 LEU CA C 18 54.367 53.334 1.033 1
1 224 . 15 1 1 A 21 21 LEU CB C 18 43.185 44.355 -1.170 1
1 228 . 15 1 1 A 21 21 LEU N N 18 119.903 117.247 2.656 1
1 229 . 15 1 1 A 22 22 GLY H H 19 8.455 8.377 0.078 1
1 230 . 15 1 1 A 22 22 GLY HA2 H 19 4.103 4.033 0.070 1
1 231 . 15 1 1 A 22 22 GLY HA3 H 19 3.888 4.062 -0.174 1
1 232 . 15 1 1 A 22 22 GLY CA C 19 44.739 45.629 -0.890 1
1 233 . 15 1 1 A 22 22 GLY N N 19 108.063 107.273 0.790 1
1 234 . 15 1 1 A 23 23 SER H H 20 8.711 8.881 -0.170 1
1 235 . 15 1 1 A 23 23 SER HA H 20 4.422 4.189 0.233 1
1 238 . 15 1 1 A 23 23 SER CA C 20 58.325 60.989 -2.664 1
1 239 . 15 1 1 A 23 23 SER CB C 20 63.754 62.798 0.956 1
1 240 . 15 1 1 A 23 23 SER N N 20 117.509 118.420 -0.911 1
1 241 . 15 1 1 A 24 24 THR H H 21 8.273 7.841 0.432 1
1 242 . 15 1 1 A 24 24 THR HA H 21 4.026 3.940 0.086 1
1 247 . 15 1 1 A 24 24 THR CA C 21 65.605 66.687 -1.082 1
1 248 . 15 1 1 A 24 24 THR CB C 21 68.013 68.036 -0.023 1
1 250 . 15 1 1 A 24 24 THR N N 21 116.047 117.917 -1.870 1
1 251 . 15 1 1 A 25 25 VAL H H 22 7.075 7.512 -0.437 1
1 252 . 15 1 1 A 25 25 VAL HA H 22 3.507 3.464 0.043 1
1 260 . 15 1 1 A 25 25 VAL CA C 22 65.475 66.778 -1.303 1
1 261 . 15 1 1 A 25 25 VAL CB C 22 31.319 31.324 -0.005 1
1 264 . 15 1 1 A 25 25 VAL N N 22 122.543 121.748 0.795 1
1 265 . 15 1 1 A 26 26 ARG H H 23 7.781 7.891 -0.110 1
1 266 . 15 1 1 A 26 26 ARG HA H 23 3.116 4.029 -0.913 1
1 273 . 15 1 1 A 26 26 ARG CA C 23 60.215 57.984 2.231 1
1 274 . 15 1 1 A 26 26 ARG CB C 23 30.555 29.533 1.022 1
1 277 . 15 1 1 A 26 26 ARG N N 23 118.490 119.680 -1.190 1
1 278 . 15 1 1 A 27 27 GLU H H 24 8.107 8.323 -0.216 1
1 279 . 15 1 1 A 27 27 GLU HA H 24 4.031 4.099 -0.068 1
1 284 . 15 1 1 A 27 27 GLU CA C 24 59.421 58.891 0.530 1
1 285 . 15 1 1 A 27 27 GLU CB C 24 29.126 29.359 -0.233 1
1 287 . 15 1 1 A 27 27 GLU N N 24 116.756 119.117 -2.361 1
1 288 . 15 1 1 A 28 28 GLN H H 25 7.760 7.528 0.232 1
1 289 . 15 1 1 A 28 28 GLN HA H 25 4.097 4.021 0.076 1
1 296 . 15 1 1 A 28 28 GLN CA C 25 59.055 58.705 0.350 1
1 297 . 15 1 1 A 28 28 GLN CB C 25 29.925 28.117 1.808 1
1 299 . 15 1 1 A 28 28 GLN N N 25 118.410 119.167 -0.757 1
1 301 . 15 1 1 A 29 29 LEU H H 26 8.631 8.178 0.453 1
1 302 . 15 1 1 A 29 29 LEU HA H 26 4.145 3.957 0.188 1
1 312 . 15 1 1 A 29 29 LEU CA C 26 57.929 57.956 -0.027 1
1 313 . 15 1 1 A 29 29 LEU CB C 26 42.787 41.398 1.389 1
1 317 . 15 1 1 A 29 29 LEU N N 26 119.716 120.242 -0.526 1
1 318 . 15 1 1 A 30 30 LYS H H 27 9.183 7.944 1.239 1
1 319 . 15 1 1 A 30 30 LYS HA H 27 3.981 4.006 -0.025 1
1 328 . 15 1 1 A 30 30 LYS CA C 27 61.364 59.359 2.005 1
1 329 . 15 1 1 A 30 30 LYS CB C 27 32.137 31.711 0.426 1
1 333 . 15 1 1 A 30 30 LYS N N 27 120.836 118.144 2.692 1
1 334 . 15 1 1 A 31 31 LYS H H 28 7.580 7.447 0.133 1
1 335 . 15 1 1 A 31 31 LYS HA H 28 4.050 4.101 -0.051 1
1 344 . 15 1 1 A 31 31 LYS CA C 28 59.586 59.587 -0.001 1
1 345 . 15 1 1 A 31 31 LYS CB C 28 32.373 32.060 0.313 1
1 349 . 15 1 1 A 31 31 LYS N N 28 116.783 119.582 -2.799 1
1 350 . 15 1 1 A 32 32 LYS H H 29 7.300 7.717 -0.417 1
1 351 . 15 1 1 A 32 32 LYS HA H 29 4.090 4.040 0.050 1
1 360 . 15 1 1 A 32 32 LYS CA C 29 57.130 58.837 -1.707 1
1 361 . 15 1 1 A 32 32 LYS N N 29 116.383 119.464 -3.081 1
1 362 . 15 1 1 A 33 33 LEU H H 30 8.722 7.997 0.725 1
1 363 . 15 1 1 A 33 33 LEU HA H 30 3.881 3.989 -0.108 1
1 373 . 15 1 1 A 33 33 LEU CA C 30 57.634 57.506 0.128 1
1 374 . 15 1 1 A 33 33 LEU CB C 30 42.116 41.363 0.753 1
1 378 . 15 1 1 A 33 33 LEU N N 30 121.770 120.056 1.714 1
1 379 . 15 1 1 A 34 34 VAL H H 31 8.067 7.826 0.241 1
1 380 . 15 1 1 A 34 34 VAL HA H 31 3.479 3.823 -0.344 1
1 388 . 15 1 1 A 34 34 VAL CA C 31 66.847 64.364 2.483 1
1 389 . 15 1 1 A 34 34 VAL CB C 31 31.860 31.644 0.216 1
1 392 . 15 1 1 A 34 34 VAL N N 31 118.116 118.993 -0.877 1
1 393 . 15 1 1 A 35 35 GLU H H 32 6.825 7.750 -0.925 1
1 394 . 15 1 1 A 35 35 GLU HA H 32 4.090 4.175 -0.085 1
1 399 . 15 1 1 A 35 35 GLU CA C 32 58.624 58.516 0.108 1
1 400 . 15 1 1 A 35 35 GLU CB C 32 29.746 29.872 -0.126 1
1 402 . 15 1 1 A 35 35 GLU N N 32 116.570 120.091 -3.521 1
1 403 . 15 1 1 A 36 36 VAL H H 33 7.785 7.639 0.146 1
1 404 . 15 1 1 A 36 36 VAL HA H 33 3.484 3.663 -0.179 1
1 412 . 15 1 1 A 36 36 VAL CA C 33 65.213 65.112 0.101 1
1 413 . 15 1 1 A 36 36 VAL CB C 33 31.932 31.091 0.841 1
1 416 . 15 1 1 A 36 36 VAL N N 33 120.618 120.494 0.124 1
1 417 . 15 1 1 A 37 37 LEU H H 34 7.956 7.786 0.170 1
1 418 . 15 1 1 A 37 37 LEU HA H 34 3.747 4.133 -0.386 1
1 428 . 15 1 1 A 37 37 LEU CA C 34 57.069 56.319 0.750 1
1 429 . 15 1 1 A 37 37 LEU CB C 34 40.916 41.668 -0.752 1
1 433 . 15 1 1 A 37 37 LEU N N 34 115.476 121.262 -5.786 1
1 434 . 15 1 1 A 38 38 GLU H H 35 7.042 7.752 -0.710 1
1 435 . 15 1 1 A 38 38 GLU HA H 35 4.395 4.431 -0.036 1
1 440 . 15 1 1 A 38 38 GLU CA C 35 57.553 57.694 -0.141 1
1 441 . 15 1 1 A 38 38 GLU CB C 35 30.234 31.467 -1.233 1
1 443 . 15 1 1 A 38 38 GLU N N 35 114.356 119.081 -4.725 1
1 444 . 15 1 1 A 39 39 SER H H 36 7.125 7.921 -0.796 1
1 445 . 15 1 1 A 39 39 SER HA H 36 4.593 4.929 -0.336 1
1 448 . 15 1 1 A 39 39 SER CA C 36 55.308 55.492 -0.184 1
1 449 . 15 1 1 A 39 39 SER CB C 36 62.305 63.410 -1.105 1
1 450 . 15 1 1 A 39 39 SER N N 36 109.796 112.978 -3.182 1
1 451 . 15 1 1 A 40 40 PRO HA H 37 4.360 4.481 -0.121 1
1 458 . 15 1 1 A 40 40 PRO CA C 37 64.802 63.554 1.248 1
1 459 . 15 1 1 A 40 40 PRO CB C 37 32.562 32.560 0.002 1
1 462 . 15 1 1 A 41 41 ARG H H 38 8.356 8.108 0.248 1
1 463 . 15 1 1 A 41 41 ARG HA H 38 3.271 3.999 -0.728 1
1 470 . 15 1 1 A 41 41 ARG CA C 38 56.364 54.958 1.406 1
1 471 . 15 1 1 A 41 41 ARG CB C 38 29.580 29.061 0.519 1
1 474 . 15 1 1 A 41 41 ARG N N 38 120.882 119.474 1.408 1
1 475 . 15 1 1 A 42 42 ILE H H 39 5.973 7.338 -1.365 1
1 476 . 15 1 1 A 42 42 ILE HA H 39 4.216 4.445 -0.229 1
1 486 . 15 1 1 A 42 42 ILE CA C 39 60.301 60.558 -0.257 1
1 487 . 15 1 1 A 42 42 ILE CB C 39 38.705 38.449 0.256 1
1 491 . 15 1 1 A 42 42 ILE N N 39 127.866 125.560 2.306 1
1 492 . 15 1 1 A 43 43 GLU H H 40 8.860 8.817 0.043 1
1 493 . 15 1 1 A 43 43 GLU HA H 40 4.218 4.345 -0.127 1
1 498 . 15 1 1 A 43 43 GLU CA C 40 59.945 58.571 1.374 1
1 499 . 15 1 1 A 43 43 GLU CB C 40 29.040 28.855 0.185 1
1 501 . 15 1 1 A 43 43 GLU N N 40 129.498 126.649 2.849 1
1 502 . 15 1 1 A 44 44 ALA H H 41 8.827 7.567 1.260 1
1 503 . 15 1 1 A 44 44 ALA HA H 41 4.241 4.156 0.085 1
1 507 . 15 1 1 A 44 44 ALA CA C 41 54.035 54.133 -0.098 1
1 508 . 15 1 1 A 44 44 ALA CB C 41 18.466 18.234 0.232 1
1 509 . 15 1 1 A 44 44 ALA N N 41 119.919 123.523 -3.604 1
1 510 . 15 1 1 A 45 45 ASN H H 42 8.184 8.040 0.144 1
1 511 . 15 1 1 A 45 45 ASN HA H 42 5.082 4.969 0.113 1
1 516 . 15 1 1 A 45 45 ASN CA C 42 51.401 52.916 -1.515 1
1 517 . 15 1 1 A 45 45 ASN CB C 42 38.684 39.063 -0.379 1
1 518 . 15 1 1 A 45 45 ASN N N 42 114.675 114.186 0.489 1
1 520 . 15 1 1 A 46 46 LYS H H 43 7.515 7.344 0.171 1
1 521 . 15 1 1 A 46 46 LYS HA H 43 3.741 4.335 -0.594 1
1 530 . 15 1 1 A 46 46 LYS CA C 43 57.354 56.380 0.974 1
1 531 . 15 1 1 A 46 46 LYS CB C 43 32.905 32.685 0.220 1
1 535 . 15 1 1 A 46 46 LYS N N 43 122.167 118.529 3.638 1
1 536 . 15 1 1 A 47 47 LEU H H 44 8.184 7.989 0.195 1
1 537 . 15 1 1 A 47 47 LEU HA H 44 4.297 4.331 -0.034 1
1 547 . 15 1 1 A 47 47 LEU CA C 44 53.422 55.140 -1.718 1
1 548 . 15 1 1 A 47 47 LEU CB C 44 42.208 43.544 -1.336 1
1 552 . 15 1 1 A 47 47 LEU N N 44 127.544 124.838 2.706 1
1 553 . 15 1 1 A 48 48 ARG H H 45 8.706 8.876 -0.170 1
1 554 . 15 1 1 A 48 48 ARG HA H 45 3.918 3.958 -0.040 1
1 561 . 15 1 1 A 48 48 ARG CA C 45 57.765 59.650 -1.885 1
1 562 . 15 1 1 A 48 48 ARG CB C 45 29.686 30.117 -0.431 1
1 565 . 15 1 1 A 48 48 ARG N N 45 128.641 126.065 2.576 1
1 566 . 15 1 1 A 49 49 GLY H H 46 8.543 8.055 0.488 1
1 567 . 15 1 1 A 49 49 GLY HA2 H 46 4.129 3.948 0.181 1
1 568 . 15 1 1 A 49 49 GLY HA3 H 46 3.662 3.951 -0.289 1
1 569 . 15 1 1 A 49 49 GLY CA C 46 44.981 45.255 -0.274 1
1 570 . 15 1 1 A 49 49 GLY N N 46 110.474 105.876 4.598 1
1 571 . 15 1 1 A 50 50 MET H H 47 7.404 7.443 -0.039 1
1 572 . 15 1 1 A 50 50 MET HA H 47 5.226 4.844 0.382 1
1 580 . 15 1 1 A 50 50 MET CA C 47 50.824 52.360 -1.536 1
1 581 . 15 1 1 A 50 50 MET CB C 47 33.186 33.304 -0.118 1
1 584 . 15 1 1 A 50 50 MET N N 47 118.742 118.869 -0.127 1
1 585 . 15 1 1 A 51 51 PRO HA H 48 4.344 4.236 0.108 1
1 592 . 15 1 1 A 51 51 PRO CA C 48 63.591 63.765 -0.174 1
1 593 . 15 1 1 A 51 51 PRO CB C 48 31.942 32.033 -0.091 1
1 596 . 15 1 1 A 52 52 ASP H H 49 8.703 8.496 0.207 1
1 597 . 15 1 1 A 52 52 ASP HA H 49 4.392 4.072 0.320 1
1 600 . 15 1 1 A 52 52 ASP CA C 49 56.244 55.654 0.590 1
1 601 . 15 1 1 A 52 52 ASP N N 49 116.361 115.671 0.690 1
1 602 . 15 1 1 A 53 53 CYS H H 50 7.456 6.754 0.702 1
1 603 . 15 1 1 A 53 53 CYS HA H 50 5.799 4.801 0.998 1
1 606 . 15 1 1 A 53 53 CYS CA C 50 58.147 56.469 1.678 1
1 607 . 15 1 1 A 53 53 CYS CB C 50 30.953 30.332 0.621 1
1 608 . 15 1 1 A 53 53 CYS N N 50 114.086 117.747 -3.661 1
1 609 . 15 1 1 A 54 54 TYR H H 51 8.939 8.540 0.399 1
1 610 . 15 1 1 A 54 54 TYR HA H 51 4.662 5.089 -0.427 1
1 617 . 15 1 1 A 54 54 TYR CA C 51 56.444 56.345 0.099 1
1 618 . 15 1 1 A 54 54 TYR CB C 51 43.000 42.968 0.032 1
1 620 . 15 1 1 A 54 54 TYR N N 51 120.722 124.087 -3.365 1
1 621 . 15 1 1 A 55 55 LYS H H 52 8.665 8.895 -0.230 1
1 622 . 15 1 1 A 55 55 LYS HA H 52 5.456 5.377 0.079 1
1 631 . 15 1 1 A 55 55 LYS CA C 52 53.968 54.403 -0.435 1
1 632 . 15 1 1 A 55 55 LYS CB C 52 36.126 36.575 -0.449 1
1 636 . 15 1 1 A 55 55 LYS N N 52 117.297 117.744 -0.447 1
1 637 . 15 1 1 A 56 56 ILE H H 53 9.272 8.701 0.571 1
1 638 . 15 1 1 A 56 56 ILE HA H 53 4.428 4.904 -0.476 1
1 648 . 15 1 1 A 56 56 ILE CA C 53 60.803 59.206 1.597 1
1 649 . 15 1 1 A 56 56 ILE CB C 53 40.849 42.060 -1.211 1
1 653 . 15 1 1 A 56 56 ILE N N 53 122.006 121.088 0.918 1
1 654 . 15 1 1 A 57 57 LYS H H 54 8.745 8.934 -0.189 1
1 655 . 15 1 1 A 57 57 LYS HA H 54 5.093 5.240 -0.147 1
1 664 . 15 1 1 A 57 57 LYS CA C 54 54.227 54.791 -0.564 1
1 665 . 15 1 1 A 57 57 LYS CB C 54 35.595 36.151 -0.556 1
1 669 . 15 1 1 A 57 57 LYS N N 54 125.752 123.543 2.209 1
1 670 . 15 1 1 A 58 58 LEU H H 55 8.543 8.847 -0.304 1
1 671 . 15 1 1 A 58 58 LEU HA H 55 4.788 4.330 0.458 1
1 681 . 15 1 1 A 58 58 LEU CA C 55 53.151 55.110 -1.959 1
1 682 . 15 1 1 A 58 58 LEU CB C 55 41.238 40.907 0.331 1
1 686 . 15 1 1 A 58 58 LEU N N 55 124.173 125.212 -1.039 1
1 687 . 15 1 1 A 59 59 ARG HA H 56 4.039 3.959 0.080 1
1 694 . 15 1 1 A 59 59 ARG CA C 56 59.531 59.993 -0.462 1
1 695 . 15 1 1 A 59 59 ARG CB C 56 32.180 30.031 2.149 1
1 698 . 15 1 1 A 60 60 SER HA H 57 4.335 4.562 -0.227 1
1 701 . 15 1 1 A 60 60 SER CA C 57 60.035 60.458 -0.423 1
1 702 . 15 1 1 A 60 60 SER CB C 57 62.551 63.872 -1.321 1
1 703 . 15 1 1 A 61 61 SER H H 58 7.605 7.983 -0.378 1
1 704 . 15 1 1 A 61 61 SER HA H 58 4.604 4.507 0.097 1
1 707 . 15 1 1 A 61 61 SER CA C 58 58.122 59.518 -1.396 1
1 708 . 15 1 1 A 61 61 SER CB C 58 64.520 63.652 0.868 1
1 709 . 15 1 1 A 61 61 SER N N 58 112.447 115.536 -3.089 1
1 710 . 15 1 1 A 62 62 GLY H H 59 8.214 8.289 -0.075 1
1 711 . 15 1 1 A 62 62 GLY HA2 H 59 4.091 3.858 0.233 1
1 712 . 15 1 1 A 62 62 GLY HA3 H 59 3.824 3.884 -0.060 1
1 713 . 15 1 1 A 62 62 GLY CA C 59 45.562 45.797 -0.235 1
1 714 . 15 1 1 A 62 62 GLY N N 59 108.976 109.663 -0.687 1
1 715 . 15 1 1 A 63 63 TYR H H 60 7.283 8.135 -0.852 1
1 716 . 15 1 1 A 63 63 TYR HA H 60 4.619 4.667 -0.048 1
1 723 . 15 1 1 A 63 63 TYR CA C 60 60.412 58.001 2.411 1
1 724 . 15 1 1 A 63 63 TYR CB C 60 40.339 40.929 -0.590 1
1 727 . 15 1 1 A 63 63 TYR N N 60 117.859 119.574 -1.715 1
1 728 . 15 1 1 A 64 64 ARG H H 61 9.296 9.307 -0.011 1
1 729 . 15 1 1 A 64 64 ARG HA H 61 5.634 5.434 0.200 1
1 736 . 15 1 1 A 64 64 ARG CA C 61 54.114 54.513 -0.399 1
1 737 . 15 1 1 A 64 64 ARG CB C 61 33.245 34.822 -1.577 1
1 740 . 15 1 1 A 64 64 ARG N N 61 117.912 118.994 -1.082 1
1 741 . 15 1 1 A 65 65 LEU H H 62 9.077 8.896 0.181 1
1 742 . 15 1 1 A 65 65 LEU HA H 62 5.459 5.131 0.328 1
1 752 . 15 1 1 A 65 65 LEU CA C 62 54.114 54.530 -0.416 1
1 753 . 15 1 1 A 65 65 LEU CB C 62 46.977 45.913 1.064 1
1 757 . 15 1 1 A 65 65 LEU N N 62 123.590 121.925 1.665 1
1 758 . 15 1 1 A 66 66 VAL H H 63 8.729 8.912 -0.183 1
1 759 . 15 1 1 A 66 66 VAL HA H 63 5.206 5.106 0.100 1
1 767 . 15 1 1 A 66 66 VAL CA C 63 60.112 60.918 -0.806 1
1 768 . 15 1 1 A 66 66 VAL CB C 63 34.296 33.825 0.471 1
1 771 . 15 1 1 A 66 66 VAL N N 63 123.237 125.622 -2.385 1
1 772 . 15 1 1 A 67 67 TYR H H 64 8.976 8.890 0.086 1
1 773 . 15 1 1 A 67 67 TYR HA H 64 5.745 5.298 0.447 1
1 780 . 15 1 1 A 67 67 TYR CA C 64 53.968 55.511 -1.543 1
1 781 . 15 1 1 A 67 67 TYR CB C 64 42.534 41.813 0.721 1
1 784 . 15 1 1 A 67 67 TYR N N 64 124.227 123.413 0.814 1
1 785 . 15 1 1 A 68 68 GLN H H 65 9.696 8.750 0.946 1
1 786 . 15 1 1 A 68 68 GLN HA H 65 5.640 5.010 0.630 1
1 793 . 15 1 1 A 68 68 GLN CA C 65 52.933 54.152 -1.219 1
1 794 . 15 1 1 A 68 68 GLN CB C 65 33.585 32.525 1.060 1
1 796 . 15 1 1 A 68 68 GLN N N 65 122.541 120.064 2.477 1
1 798 . 15 1 1 A 69 69 VAL H H 66 9.050 9.276 -0.226 1
1 799 . 15 1 1 A 69 69 VAL HA H 66 4.513 4.703 -0.190 1
1 807 . 15 1 1 A 69 69 VAL CA C 66 62.534 62.005 0.529 1
1 808 . 15 1 1 A 69 69 VAL CB C 66 33.052 33.033 0.019 1
1 811 . 15 1 1 A 69 69 VAL N N 66 127.437 126.831 0.606 1
1 812 . 15 1 1 A 70 70 ILE H H 67 9.385 9.097 0.288 1
1 813 . 15 1 1 A 70 70 ILE HA H 67 4.475 4.550 -0.075 1
1 823 . 15 1 1 A 70 70 ILE CA C 67 59.863 60.803 -0.940 1
1 824 . 15 1 1 A 70 70 ILE CB C 67 37.487 38.439 -0.952 1
1 828 . 15 1 1 A 70 70 ILE N N 67 129.296 127.422 1.874 1
1 829 . 15 1 1 A 71 71 ASP H H 68 9.343 9.076 0.267 1
1 830 . 15 1 1 A 71 71 ASP HA H 68 4.595 4.601 -0.006 1
1 833 . 15 1 1 A 71 71 ASP CA C 68 58.841 56.707 2.134 1
1 834 . 15 1 1 A 71 71 ASP CB C 68 40.637 39.826 0.811 1
1 835 . 15 1 1 A 71 71 ASP N N 68 128.749 127.964 0.785 1
1 836 . 15 1 1 A 72 72 GLU H H 69 9.718 9.227 0.491 1
1 837 . 15 1 1 A 72 72 GLU HA H 69 4.124 4.077 0.047 1
1 842 . 15 1 1 A 72 72 GLU CA C 69 59.335 59.080 0.255 1
1 843 . 15 1 1 A 72 72 GLU CB C 69 29.131 29.001 0.130 1
1 845 . 15 1 1 A 72 72 GLU N N 69 118.929 118.829 0.100 1
1 846 . 15 1 1 A 73 73 LYS H H 70 6.653 7.726 -1.073 1
1 847 . 15 1 1 A 73 73 LYS HA H 70 4.517 4.458 0.059 1
1 856 . 15 1 1 A 73 73 LYS CA C 70 54.587 55.980 -1.393 1
1 857 . 15 1 1 A 73 73 LYS CB C 70 33.843 33.111 0.732 1
1 861 . 15 1 1 A 73 73 LYS N N 70 114.113 117.596 -3.483 1
1 862 . 15 1 1 A 74 74 VAL H H 71 7.832 7.840 -0.008 1
1 863 . 15 1 1 A 74 74 VAL HA H 71 3.012 3.691 -0.679 1
1 871 . 15 1 1 A 74 74 VAL CA C 71 63.090 62.895 0.195 1
1 872 . 15 1 1 A 74 74 VAL CB C 71 29.226 29.752 -0.526 1
1 875 . 15 1 1 A 74 74 VAL N N 71 119.223 116.905 2.318 1
1 876 . 15 1 1 A 75 75 VAL H H 72 7.732 8.071 -0.339 1
1 877 . 15 1 1 A 75 75 VAL HA H 72 4.950 5.080 -0.130 1
1 885 . 15 1 1 A 75 75 VAL CA C 72 60.455 60.513 -0.058 1
1 886 . 15 1 1 A 75 75 VAL CB C 72 37.925 35.307 2.618 1
1 889 . 15 1 1 A 75 75 VAL N N 72 117.190 120.532 -3.342 1
1 890 . 15 1 1 A 76 76 VAL H H 73 9.026 8.743 0.283 1
1 891 . 15 1 1 A 76 76 VAL HA H 73 4.349 4.647 -0.298 1
1 899 . 15 1 1 A 76 76 VAL CA C 73 62.527 61.323 1.204 1
1 900 . 15 1 1 A 76 76 VAL CB C 73 32.882 31.893 0.989 1
1 903 . 15 1 1 A 76 76 VAL N N 73 128.347 126.685 1.662 1
1 904 . 15 1 1 A 77 77 PHE H H 74 9.629 9.192 0.437 1
1 905 . 15 1 1 A 77 77 PHE HA H 74 5.898 4.907 0.991 1
1 913 . 15 1 1 A 77 77 PHE CA C 74 51.863 56.274 -4.411 1
1 914 . 15 1 1 A 77 77 PHE CB C 74 40.214 39.856 0.358 1
1 918 . 15 1 1 A 77 77 PHE N N 74 128.802 128.973 -0.171 1
1 919 . 15 1 1 A 78 78 VAL H H 75 9.535 8.741 0.794 1
1 920 . 15 1 1 A 78 78 VAL HA H 75 3.712 3.942 -0.230 1
1 928 . 15 1 1 A 78 78 VAL CA C 75 63.939 63.742 0.197 1
1 929 . 15 1 1 A 78 78 VAL CB C 75 31.079 31.459 -0.380 1
1 932 . 15 1 1 A 78 78 VAL N N 75 128.588 127.520 1.068 1
1 933 . 15 1 1 A 79 79 ILE H H 76 8.515 8.942 -0.427 1
1 934 . 15 1 1 A 79 79 ILE HA H 76 3.443 3.739 -0.296 1
1 944 . 15 1 1 A 79 79 ILE CA C 76 61.950 62.618 -0.668 1
1 945 . 15 1 1 A 79 79 ILE CB C 76 40.800 38.433 2.367 1
1 949 . 15 1 1 A 79 79 ILE N N 76 126.287 128.931 -2.644 1
1 950 . 15 1 1 A 80 80 SER H H 77 7.180 7.598 -0.418 1
1 951 . 15 1 1 A 80 80 SER HA H 77 4.506 5.065 -0.559 1
1 954 . 15 1 1 A 80 80 SER CA C 77 57.464 57.825 -0.361 1
1 955 . 15 1 1 A 80 80 SER CB C 77 64.912 67.378 -2.466 1
1 956 . 15 1 1 A 80 80 SER N N 77 111.625 114.136 -2.511 1
1 957 . 15 1 1 A 81 81 VAL H H 78 8.641 8.450 0.191 1
1 958 . 15 1 1 A 81 81 VAL HA H 78 5.066 5.107 -0.041 1
1 966 . 15 1 1 A 81 81 VAL CA C 78 60.913 60.862 0.051 1
1 967 . 15 1 1 A 81 81 VAL CB C 78 35.010 35.334 -0.324 1
1 970 . 15 1 1 A 81 81 VAL N N 78 126.742 122.871 3.871 1
1 971 . 15 1 1 A 82 82 GLY H H 79 8.658 8.452 0.206 1
1 972 . 15 1 1 A 82 82 GLY HA2 H 79 4.370 4.333 0.037 1
1 973 . 15 1 1 A 82 82 GLY HA3 H 79 4.160 4.507 -0.347 1
1 974 . 15 1 1 A 82 82 GLY CA C 79 46.036 45.303 0.733 1
1 975 . 15 1 1 A 82 82 GLY N N 79 111.223 111.841 -0.618 1
1 976 . 15 1 1 A 83 83 LYS H H 80 8.569 8.260 0.309 1
1 977 . 15 1 1 A 83 83 LYS HA H 80 4.369 4.959 -0.590 1
1 986 . 15 1 1 A 83 83 LYS CA C 80 54.855 54.156 0.699 1
1 987 . 15 1 1 A 83 83 LYS CB C 80 34.866 35.757 -0.891 1
1 991 . 15 1 1 A 83 83 LYS N N 80 121.257 121.672 -0.415 1
1 992 . 15 1 1 A 84 84 ALA H H 81 8.334 8.930 -0.596 1
1 993 . 15 1 1 A 84 84 ALA HA H 81 4.274 5.263 -0.989 1
1 997 . 15 1 1 A 84 84 ALA CA C 81 52.003 50.068 1.935 1
1 998 . 15 1 1 A 84 84 ALA CB C 81 19.185 23.137 -3.952 1
1 999 . 15 1 1 A 84 84 ALA N N 81 126.662 122.948 3.714 1
1 1000 . 15 1 1 A 85 85 GLU H H 82 8.638 8.724 -0.086 1
1 1001 . 15 1 1 A 85 85 GLU HA H 82 4.214 4.694 -0.480 1
1 1006 . 15 1 1 A 85 85 GLU CA C 82 56.366 55.056 1.310 1
1 1007 . 15 1 1 A 85 85 GLU CB C 82 30.238 30.850 -0.612 1
1 1009 . 15 1 1 A 85 85 GLU N N 82 121.819 121.328 0.491 1
1 1010 . 15 1 1 A 86 86 ALA H H 83 8.462 8.587 -0.125 1
1 1011 . 15 1 1 A 86 86 ALA HA H 83 4.341 4.325 0.016 1
1 1015 . 15 1 1 A 86 86 ALA CA C 83 52.156 52.454 -0.298 1
1 1016 . 15 1 1 A 86 86 ALA CB C 83 19.206 19.583 -0.377 1
1 1017 . 15 1 1 A 86 86 ALA N N 83 125.350 130.288 -4.938 1
1 1018 . 15 1 1 A 87 87 SER H H 84 8.309 8.979 -0.670 1
1 1019 . 15 1 1 A 87 87 SER HA H 84 4.400 4.357 0.043 1
1 1022 . 15 1 1 A 87 87 SER CA C 84 58.058 60.444 -2.386 1
1 1023 . 15 1 1 A 87 87 SER CB C 84 63.845 62.807 1.038 1
1 1024 . 15 1 1 A 87 87 SER N N 84 115.397 116.557 -1.160 1
1 1025 . 15 1 1 A 88 88 GLU H H 85 8.443 8.833 -0.390 1
1 1026 . 15 1 1 A 88 88 GLU HA H 85 4.318 4.068 0.250 1
1 1031 . 15 1 1 A 88 88 GLU CA C 85 56.465 59.189 -2.724 1
1 1032 . 15 1 1 A 88 88 GLU CB C 85 30.464 29.439 1.025 1
1 1034 . 15 1 1 A 88 88 GLU N N 85 122.947 119.999 2.948 1
1 1035 . 15 1 1 A 89 89 VAL H H 86 8.098 7.800 0.298 1
1 1036 . 15 1 1 A 89 89 VAL HA H 86 4.044 3.653 0.391 1
1 1044 . 15 1 1 A 89 89 VAL CA C 86 62.293 65.868 -3.575 1
1 1045 . 15 1 1 A 89 89 VAL CB C 86 32.703 31.572 1.131 1
1 1048 . 15 1 1 A 89 89 VAL N N 86 120.884 120.413 0.471 1
1 1049 . 15 1 1 A 90 90 TYR H H 87 8.313 8.204 0.109 1
1 1050 . 15 1 1 A 90 90 TYR HA H 87 4.623 4.202 0.421 1
1 1057 . 15 1 1 A 90 90 TYR CA C 87 57.791 61.021 -3.230 1
1 1058 . 15 1 1 A 90 90 TYR CB C 87 38.795 38.699 0.096 1
1 1061 . 15 1 1 A 90 90 TYR N N 87 124.634 121.580 3.054 1
1 1062 . 15 1 1 A 91 91 SER H H 88 8.140 8.586 -0.446 1
1 1063 . 15 1 1 A 91 91 SER HA H 88 4.411 4.057 0.354 1
1 1066 . 15 1 1 A 91 91 SER CA C 88 58.396 61.978 -3.582 1
1 1067 . 15 1 1 A 91 91 SER CB C 88 63.703 62.809 0.894 1
1 1068 . 15 1 1 A 91 91 SER N N 88 118.447 116.377 2.070 1
1 1069 . 15 1 1 A 92 92 GLU H H 89 8.400 7.980 0.420 1
1 1070 . 15 1 1 A 92 92 GLU HA H 89 4.245 4.090 0.155 1
1 1075 . 15 1 1 A 92 92 GLU CA C 89 56.465 57.731 -1.266 1
1 1076 . 15 1 1 A 92 92 GLU CB C 89 29.471 29.670 -0.199 1
1 1078 . 15 1 1 A 92 92 GLU N N 89 122.947 121.097 1.850 1
1 1079 . 15 1 1 A 93 93 ALA H H 90 8.224 7.342 0.882 1
1 1080 . 15 1 1 A 93 93 ALA HA H 90 4.287 4.490 -0.203 1
1 1084 . 15 1 1 A 93 93 ALA CA C 90 52.598 50.655 1.943 1
1 1085 . 15 1 1 A 93 93 ALA CB C 90 18.864 21.169 -2.305 1
1 1086 . 15 1 1 A 93 93 ALA N N 90 124.404 121.264 3.140 1
1 1087 . 15 1 1 A 94 94 VAL H H 91 7.971 8.146 -0.175 1
1 1088 . 15 1 1 A 94 94 VAL HA H 91 4.060 4.086 -0.026 1
1 1096 . 15 1 1 A 94 94 VAL CA C 91 62.072 61.940 0.132 1
1 1097 . 15 1 1 A 94 94 VAL CB C 91 32.601 32.475 0.126 1
1 1100 . 15 1 1 A 94 94 VAL N N 91 119.330 115.342 3.988 1
1 1101 . 15 1 1 A 95 95 LYS H H 92 8.271 9.000 -0.729 1
1 1102 . 15 1 1 A 95 95 LYS HA H 92 4.313 4.132 0.181 1
1 1111 . 15 1 1 A 95 95 LYS CA C 92 56.078 57.588 -1.510 1
1 1112 . 15 1 1 A 95 95 LYS CB C 92 32.924 32.857 0.067 1
1 1116 . 15 1 1 A 95 95 LYS N N 92 124.941 124.687 0.254 1
1 1117 . 15 1 1 A 96 96 ARG H H 93 8.317 8.119 0.198 1
1 1118 . 15 1 1 A 96 96 ARG HA H 93 4.360 4.532 -0.172 1
1 1125 . 15 1 1 A 96 96 ARG CA C 93 55.901 54.734 1.167 1
1 1126 . 15 1 1 A 96 96 ARG CB C 93 30.906 30.650 0.256 1
1 1129 . 15 1 1 A 96 96 ARG N N 93 122.918 116.348 6.570 1
1 1130 . 15 1 1 A 97 97 ILE H H 94 8.251 7.476 0.775 1
1 1131 . 15 1 1 A 97 97 ILE HA H 94 4.184 4.355 -0.171 1
1 1141 . 15 1 1 A 97 97 ILE CA C 94 60.946 60.901 0.045 1
1 1142 . 15 1 1 A 97 97 ILE CB C 94 38.298 36.456 1.842 1
1 1146 . 15 1 1 A 97 97 ILE N N 94 123.301 121.591 1.710 1
1 1191 . 15 2 2 B 5 5 GLN H H 48 8.533 7.736 0.797 1
1 1192 . 15 2 2 B 5 5 GLN HA H 48 4.390 4.738 -0.348 1
1 1199 . 15 2 2 B 5 5 GLN C C 48 175.953 174.541 1.412 1
1 1200 . 15 2 2 B 5 5 GLN CA C 48 55.760 54.711 1.049 1
1 1201 . 15 2 2 B 5 5 GLN CB C 48 29.225 30.035 -0.810 1
1 1203 . 15 2 2 B 5 5 GLN N N 48 122.121 118.871 3.250 1
1 1205 . 15 2 2 B 6 6 THR H H 49 8.281 8.808 -0.527 1
1 1206 . 15 2 2 B 6 6 THR HA H 49 4.316 4.402 -0.086 1
1 1211 . 15 2 2 B 6 6 THR C C 49 174.156 174.288 -0.132 1
1 1212 . 15 2 2 B 6 6 THR CA C 49 61.724 63.153 -1.429 1
1 1213 . 15 2 2 B 6 6 THR CB C 49 69.452 69.322 0.130 1
1 1215 . 15 2 2 B 6 6 THR N N 49 116.639 122.382 -5.743 1
1 1216 . 15 2 2 B 7 7 LEU H H 50 8.328 8.593 -0.265 1
1 1217 . 15 2 2 B 7 7 LEU HA H 50 4.381 4.603 -0.222 1
1 1227 . 15 2 2 B 7 7 LEU C C 50 176.985 175.747 1.238 1
1 1228 . 15 2 2 B 7 7 LEU CA C 50 55.093 54.575 0.518 1
1 1229 . 15 2 2 B 7 7 LEU CB C 50 42.122 40.358 1.764 1
1 1233 . 15 2 2 B 7 7 LEU N N 50 125.001 128.225 -3.224 1
1 1234 . 15 2 2 B 8 8 LEU H H 51 8.264 8.351 -0.087 1
1 1235 . 15 2 2 B 8 8 LEU HA H 51 4.410 5.002 -0.592 1
1 1245 . 15 2 2 B 8 8 LEU C C 51 177.235 175.102 2.133 1
1 1246 . 15 2 2 B 8 8 LEU CA C 51 54.936 53.776 1.160 1
1 1247 . 15 2 2 B 8 8 LEU CB C 51 42.292 45.096 -2.804 1
1 1251 . 15 2 2 B 8 8 LEU N N 51 123.073 120.326 2.747 1
1 1252 . 15 2 2 B 9 9 SER H H 52 8.499 9.403 -0.904 1
1 1253 . 15 2 2 B 9 9 SER HA H 52 4.410 4.780 -0.370 1
1 1256 . 15 2 2 B 9 9 SER C C 52 174.083 173.618 0.465 1
1 1257 . 15 2 2 B 9 9 SER CA C 52 57.757 55.908 1.849 1
1 1258 . 15 2 2 B 9 9 SER CB C 52 63.734 65.360 -1.626 1
1 1259 . 15 2 2 B 9 9 SER N N 52 117.150 114.554 2.596 1
1 1260 . 15 2 2 B 10 10 ASP H H 53 8.416 8.692 -0.276 1
1 1261 . 15 2 2 B 10 10 ASP HA H 53 4.575 4.687 -0.112 1
1 1264 . 15 2 2 B 10 10 ASP C C 53 176.911 177.367 -0.456 1
1 1265 . 15 2 2 B 10 10 ASP CA C 53 54.678 54.100 0.578 1
1 1266 . 15 2 2 B 10 10 ASP CB C 53 40.771 40.908 -0.137 1
1 1267 . 15 2 2 B 10 10 ASP N N 53 122.632 124.603 -1.971 1
1 1268 . 15 2 2 B 11 11 GLU H H 54 8.486 8.826 -0.340 1
1 1269 . 15 2 2 B 11 11 GLU HA H 54 4.155 4.083 0.072 1
1 1274 . 15 2 2 B 11 11 GLU C C 54 177.220 178.192 -0.972 1
1 1275 . 15 2 2 B 11 11 GLU CA C 54 58.488 59.444 -0.956 1
1 1276 . 15 2 2 B 11 11 GLU CB C 54 29.615 28.988 0.627 1
1 1278 . 15 2 2 B 11 11 GLU N N 54 121.842 118.291 3.551 1
1 1279 . 15 2 2 B 12 12 ASP H H 55 8.301 8.100 0.201 1
1 1280 . 15 2 2 B 12 12 ASP HA H 55 4.470 4.337 0.133 1
1 1283 . 15 2 2 B 12 12 ASP C C 55 177.161 178.469 -1.308 1
1 1284 . 15 2 2 B 12 12 ASP CA C 55 55.901 57.023 -1.122 1
1 1285 . 15 2 2 B 12 12 ASP CB C 55 40.503 40.356 0.147 1
1 1286 . 15 2 2 B 12 12 ASP N N 55 120.309 120.493 -0.184 1
1 1287 . 15 2 2 B 13 13 ALA H H 56 8.114 8.234 -0.120 1
1 1288 . 15 2 2 B 13 13 ALA HA H 56 3.986 3.972 0.014 1
1 1292 . 15 2 2 B 13 13 ALA C C 56 180.446 179.607 0.839 1
1 1293 . 15 2 2 B 13 13 ALA CA C 56 55.422 55.077 0.345 1
1 1294 . 15 2 2 B 13 13 ALA CB C 56 18.001 18.193 -0.192 1
1 1295 . 15 2 2 B 13 13 ALA N N 56 122.864 122.439 0.425 1
1 1296 . 15 2 2 B 14 14 GLU H H 57 8.105 7.592 0.513 1
1 1297 . 15 2 2 B 14 14 GLU HA H 57 4.010 4.123 -0.113 1
1 1302 . 15 2 2 B 14 14 GLU C C 57 178.914 179.046 -0.132 1
1 1303 . 15 2 2 B 14 14 GLU CA C 57 59.175 58.792 0.383 1
1 1304 . 15 2 2 B 14 14 GLU CB C 57 28.904 29.361 -0.457 1
1 1306 . 15 2 2 B 14 14 GLU N N 57 117.931 118.628 -0.697 1
1 1307 . 15 2 2 B 15 15 LEU H H 58 7.813 7.820 -0.007 1
1 1308 . 15 2 2 B 15 15 LEU HA H 58 4.062 4.024 0.038 1
1 1318 . 15 2 2 B 15 15 LEU C C 58 178.634 179.364 -0.730 1
1 1319 . 15 2 2 B 15 15 LEU CA C 58 56.960 57.990 -1.030 1
1 1320 . 15 2 2 B 15 15 LEU CB C 58 41.973 41.867 0.106 1
1 1324 . 15 2 2 B 15 15 LEU N N 58 119.867 120.390 -0.523 1
1 1325 . 15 2 2 B 16 16 VAL H H 59 8.491 7.849 0.642 1
1 1326 . 15 2 2 B 16 16 VAL HA H 59 3.365 3.885 -0.520 1
1 1334 . 15 2 2 B 16 16 VAL C C 59 177.147 177.475 -0.328 1
1 1335 . 15 2 2 B 16 16 VAL CA C 59 67.142 65.556 1.586 1
1 1336 . 15 2 2 B 16 16 VAL CB C 59 31.176 31.398 -0.222 1
1 1339 . 15 2 2 B 16 16 VAL N N 59 118.357 114.487 3.870 1
1 1340 . 15 2 2 B 17 17 GLU H H 60 7.411 8.272 -0.861 1
1 1341 . 15 2 2 B 17 17 GLU HA H 60 4.015 4.105 -0.090 1
1 1346 . 15 2 2 B 17 17 GLU C C 60 179.636 178.579 1.057 1
1 1347 . 15 2 2 B 17 17 GLU CA C 60 59.203 59.014 0.189 1
1 1348 . 15 2 2 B 17 17 GLU CB C 60 28.970 29.348 -0.378 1
1 1350 . 15 2 2 B 17 17 GLU N N 60 117.103 120.404 -3.301 1
1 1351 . 15 2 2 B 18 18 ILE H H 61 7.574 7.772 -0.198 1
1 1352 . 15 2 2 B 18 18 ILE HA H 61 3.830 3.713 0.117 1
1 1362 . 15 2 2 B 18 18 ILE C C 61 178.001 178.170 -0.169 1
1 1363 . 15 2 2 B 18 18 ILE CA C 61 63.982 64.745 -0.763 1
1 1364 . 15 2 2 B 18 18 ILE CB C 61 38.483 37.851 0.632 1
1 1368 . 15 2 2 B 18 18 ILE N N 61 120.727 121.509 -0.782 1
1 1369 . 15 2 2 B 19 19 VAL H H 62 8.294 8.139 0.155 1
1 1370 . 15 2 2 B 19 19 VAL HA H 62 3.360 3.745 -0.385 1
1 1378 . 15 2 2 B 19 19 VAL C C 62 177.338 177.497 -0.159 1
1 1379 . 15 2 2 B 19 19 VAL CA C 62 66.364 65.454 0.910 1
1 1380 . 15 2 2 B 19 19 VAL CB C 62 31.203 31.351 -0.148 1
1 1383 . 15 2 2 B 19 19 VAL N N 62 119.635 120.815 -1.180 1
1 1384 . 15 2 2 B 20 20 LYS H H 63 8.780 8.005 0.775 1
1 1385 . 15 2 2 B 20 20 LYS HA H 63 3.784 4.022 -0.238 1
1 1394 . 15 2 2 B 20 20 LYS C C 63 179.209 178.767 0.442 1
1 1395 . 15 2 2 B 20 20 LYS CA C 63 60.096 58.712 1.384 1
1 1396 . 15 2 2 B 20 20 LYS CB C 63 32.673 31.352 1.321 1
1 1400 . 15 2 2 B 20 20 LYS N N 63 118.009 120.524 -2.515 1
1 1401 . 15 2 2 B 21 21 GLU H H 64 7.567 7.476 0.091 1
1 1402 . 15 2 2 B 21 21 GLU HA H 64 4.084 4.009 0.075 1
1 1407 . 15 2 2 B 21 21 GLU C C 64 179.592 179.352 0.240 1
1 1408 . 15 2 2 B 21 21 GLU CA C 64 58.728 59.064 -0.336 1
1 1409 . 15 2 2 B 21 21 GLU CB C 64 28.974 29.424 -0.450 1
1 1411 . 15 2 2 B 21 21 GLU N N 64 117.452 119.839 -2.387 1
1 1412 . 15 2 2 B 22 22 ARG H H 65 8.156 7.834 0.322 1
1 1413 . 15 2 2 B 22 22 ARG HA H 65 4.053 4.152 -0.099 1
1 1420 . 15 2 2 B 22 22 ARG C C 65 177.986 179.137 -1.151 1
1 1421 . 15 2 2 B 22 22 ARG CA C 65 61.243 58.595 2.648 1
1 1422 . 15 2 2 B 22 22 ARG CB C 65 29.980 30.012 -0.032 1
1 1425 . 15 2 2 B 22 22 ARG N N 65 119.635 119.906 -0.271 1
1 1426 . 15 2 2 B 23 23 LEU H H 66 8.436 8.218 0.218 1
1 1427 . 15 2 2 B 23 23 LEU HA H 66 4.106 4.149 -0.043 1
1 1437 . 15 2 2 B 23 23 LEU C C 66 178.620 178.378 0.242 1
1 1438 . 15 2 2 B 23 23 LEU CA C 66 56.667 56.976 -0.309 1
1 1439 . 15 2 2 B 23 23 LEU CB C 66 41.465 41.254 0.211 1
1 1443 . 15 2 2 B 23 23 LEU N N 66 115.686 122.131 -6.445 1
1 1444 . 15 2 2 B 24 24 ARG H H 67 7.404 8.805 -1.401 1
1 1445 . 15 2 2 B 24 24 ARG HA H 67 4.165 4.136 0.029 1
1 1452 . 15 2 2 B 24 24 ARG C C 67 177.147 176.250 0.897 1
1 1453 . 15 2 2 B 24 24 ARG CA C 67 59.004 58.707 0.297 1
1 1454 . 15 2 2 B 24 24 ARG CB C 67 30.472 29.792 0.680 1
1 1457 . 15 2 2 B 24 24 ARG N N 67 118.427 116.623 1.804 1
1 1458 . 15 2 2 B 25 25 ASN H H 68 7.322 7.483 -0.161 1
1 1459 . 15 2 2 B 25 25 ASN HA H 68 5.064 5.038 0.026 1
1 1464 . 15 2 2 B 25 25 ASN CA C 68 51.014 51.131 -0.117 1
1 1465 . 15 2 2 B 25 25 ASN CB C 68 38.696 38.831 -0.135 1
1 1466 . 15 2 2 B 25 25 ASN N N 68 114.083 117.450 -3.367 1
1 1468 . 15 2 2 B 26 26 PRO HA H 69 4.521 4.458 0.063 1
1 1475 . 15 2 2 B 26 26 PRO C C 69 177.323 176.926 0.397 1
1 1476 . 15 2 2 B 26 26 PRO CA C 69 63.698 64.870 -1.172 1
1 1477 . 15 2 2 B 26 26 PRO CB C 69 33.286 32.028 1.258 1
1 1480 . 15 2 2 B 27 27 LYS H H 70 8.672 7.955 0.717 1
1 1481 . 15 2 2 B 27 27 LYS HA H 70 4.980 3.956 1.024 1
1 1490 . 15 2 2 B 27 27 LYS CA C 70 52.767 56.473 -3.706 1
1 1491 . 15 2 2 B 27 27 LYS CB C 70 33.540 30.878 2.662 1
1 1495 . 15 2 2 B 27 27 LYS N N 70 121.210 115.595 5.615 1
1 1496 . 15 2 2 B 28 28 PRO HA H 71 4.467 4.762 -0.295 1
1 1503 . 15 2 2 B 28 28 PRO C C 71 177.235 175.795 1.440 1
1 1504 . 15 2 2 B 28 28 PRO CA C 71 63.859 62.252 1.607 1
1 1505 . 15 2 2 B 28 28 PRO CB C 71 32.632 32.674 -0.042 1
1 1508 . 15 2 2 B 29 29 VAL H H 72 9.036 8.548 0.488 1
1 1509 . 15 2 2 B 29 29 VAL HA H 72 4.155 4.391 -0.236 1
1 1517 . 15 2 2 B 29 29 VAL C C 72 174.554 174.900 -0.346 1
1 1518 . 15 2 2 B 29 29 VAL CA C 72 61.506 61.125 0.381 1
1 1519 . 15 2 2 B 29 29 VAL CB C 72 34.764 32.714 2.050 1
1 1522 . 15 2 2 B 29 29 VAL N N 72 124.322 123.651 0.671 1
1 1523 . 15 2 2 B 30 30 ARG H H 73 8.437 8.755 -0.318 1
1 1524 . 15 2 2 B 30 30 ARG HA H 73 5.195 4.660 0.535 1
1 1531 . 15 2 2 B 30 30 ARG C C 73 176.248 176.074 0.174 1
1 1532 . 15 2 2 B 30 30 ARG CA C 73 55.189 56.440 -1.251 1
1 1533 . 15 2 2 B 30 30 ARG CB C 73 27.764 30.712 -2.948 1
1 1536 . 15 2 2 B 30 30 ARG N N 73 129.461 128.523 0.938 1
1 1537 . 15 2 2 B 31 31 VAL H H 74 8.822 8.832 -0.010 1
1 1538 . 15 2 2 B 31 31 VAL HA H 74 4.889 5.063 -0.174 1
1 1546 . 15 2 2 B 31 31 VAL C C 74 173.965 173.902 0.063 1
1 1547 . 15 2 2 B 31 31 VAL CA C 74 59.055 59.103 -0.048 1
1 1548 . 15 2 2 B 31 31 VAL CB C 74 35.653 36.588 -0.935 1
1 1551 . 15 2 2 B 31 31 VAL N N 74 123.375 119.421 3.954 1
1 1552 . 15 2 2 B 32 32 THR H H 75 7.855 8.350 -0.495 1
1 1553 . 15 2 2 B 32 32 THR HA H 75 4.730 5.003 -0.273 1
1 1558 . 15 2 2 B 32 32 THR C C 75 175.865 175.254 0.611 1
1 1559 . 15 2 2 B 32 32 THR CA C 75 59.052 59.249 -0.197 1
1 1560 . 15 2 2 B 32 32 THR CB C 75 71.228 72.028 -0.800 1
1 1562 . 15 2 2 B 32 32 THR N N 75 109.507 110.875 -1.368 1
1 1563 . 15 2 2 B 33 33 LEU H H 76 8.841 8.976 -0.135 1
1 1564 . 15 2 2 B 33 33 LEU HA H 76 3.773 3.993 -0.220 1
1 1574 . 15 2 2 B 33 33 LEU C C 76 178.737 178.786 -0.049 1
1 1575 . 15 2 2 B 33 33 LEU CA C 76 57.892 57.613 0.279 1
1 1576 . 15 2 2 B 33 33 LEU CB C 76 41.057 41.547 -0.490 1
1 1580 . 15 2 2 B 33 33 LEU N N 76 121.099 122.031 -0.932 1
1 1581 . 15 2 2 B 34 34 ASP H H 77 7.983 8.203 -0.220 1
1 1582 . 15 2 2 B 34 34 ASP HA H 77 4.431 4.402 0.029 1
1 1585 . 15 2 2 B 34 34 ASP C C 77 177.088 177.613 -0.525 1
1 1586 . 15 2 2 B 34 34 ASP CA C 77 55.837 57.506 -1.669 1
1 1587 . 15 2 2 B 34 34 ASP CB C 77 40.498 41.795 -1.297 1
1 1588 . 15 2 2 B 34 34 ASP N N 77 113.851 119.909 -6.058 1
1 1589 . 15 2 2 B 35 35 GLU H H 78 7.561 7.801 -0.240 1
1 1590 . 15 2 2 B 35 35 GLU HA H 78 4.320 4.327 -0.007 1
1 1595 . 15 2 2 B 35 35 GLU C C 78 175.482 177.084 -1.602 1
1 1596 . 15 2 2 B 35 35 GLU CA C 78 55.918 57.558 -1.640 1
1 1597 . 15 2 2 B 35 35 GLU CB C 78 30.767 29.757 1.010 1
1 1599 . 15 2 2 B 35 35 GLU N N 78 117.508 115.839 1.669 1
1 15 . 16 1 1 A 5 5 ALA H H 2 8.098 8.761 -0.663 1
1 16 . 16 1 1 A 5 5 ALA HA H 2 4.389 3.918 0.471 1
1 20 . 16 1 1 A 5 5 ALA CA C 2 51.852 52.517 -0.665 1
1 21 . 16 1 1 A 5 5 ALA CB C 2 19.420 17.678 1.742 1
1 22 . 16 1 1 A 5 5 ALA N N 2 125.572 120.327 5.245 1
1 23 . 16 1 1 A 6 6 TYR H H 3 8.402 8.513 -0.111 1
1 24 . 16 1 1 A 6 6 TYR HA H 3 4.236 4.860 -0.624 1
1 31 . 16 1 1 A 6 6 TYR CA C 3 57.802 55.878 1.924 1
1 32 . 16 1 1 A 6 6 TYR CB C 3 39.608 40.931 -1.323 1
1 35 . 16 1 1 A 6 6 TYR N N 3 120.730 119.676 1.054 1
1 36 . 16 1 1 A 7 7 PHE H H 4 8.958 8.932 0.026 1
1 37 . 16 1 1 A 7 7 PHE HA H 4 4.509 4.854 -0.345 1
1 45 . 16 1 1 A 7 7 PHE CA C 4 57.936 57.850 0.086 1
1 46 . 16 1 1 A 7 7 PHE CB C 4 40.613 40.277 0.336 1
1 50 . 16 1 1 A 7 7 PHE N N 4 118.436 121.551 -3.115 1
1 51 . 16 1 1 A 8 8 LEU H H 5 8.711 8.743 -0.032 1
1 52 . 16 1 1 A 8 8 LEU HA H 5 5.336 5.338 -0.002 1
1 62 . 16 1 1 A 8 8 LEU CA C 5 53.391 53.669 -0.278 1
1 63 . 16 1 1 A 8 8 LEU CB C 5 44.716 46.201 -1.485 1
1 67 . 16 1 1 A 8 8 LEU N N 5 122.810 121.948 0.862 1
1 68 . 16 1 1 A 9 9 ASP H H 6 9.145 9.068 0.077 1
1 69 . 16 1 1 A 9 9 ASP HA H 6 5.999 5.542 0.457 1
1 72 . 16 1 1 A 9 9 ASP CA C 6 51.759 53.014 -1.255 1
1 73 . 16 1 1 A 9 9 ASP CB C 6 44.757 44.824 -0.067 1
1 74 . 16 1 1 A 9 9 ASP N N 6 124.570 125.628 -1.058 1
1 75 . 16 1 1 A 10 10 PHE H H 7 9.884 9.291 0.593 1
1 76 . 16 1 1 A 10 10 PHE HA H 7 5.231 5.222 0.009 1
1 83 . 16 1 1 A 10 10 PHE CA C 7 55.321 56.720 -1.399 1
1 84 . 16 1 1 A 10 10 PHE CB C 7 42.863 42.759 0.104 1
1 88 . 16 1 1 A 10 10 PHE N N 7 123.156 119.369 3.787 1
1 89 . 16 1 1 A 11 11 ASP H H 8 8.986 8.657 0.329 1
1 90 . 16 1 1 A 11 11 ASP HA H 8 4.924 4.688 0.236 1
1 93 . 16 1 1 A 11 11 ASP CA C 8 55.122 55.045 0.077 1
1 94 . 16 1 1 A 11 11 ASP CB C 8 44.453 42.345 2.108 1
1 95 . 16 1 1 A 11 11 ASP N N 8 123.103 124.526 -1.423 1
1 96 . 16 1 1 A 12 12 GLU H H 9 9.685 9.138 0.547 1
1 97 . 16 1 1 A 12 12 GLU HA H 9 3.984 4.062 -0.078 1
1 102 . 16 1 1 A 12 12 GLU CA C 9 60.974 59.881 1.093 1
1 103 . 16 1 1 A 12 12 GLU CB C 9 31.222 29.545 1.677 1
1 105 . 16 1 1 A 12 12 GLU N N 9 128.730 126.837 1.893 1
1 106 . 16 1 1 A 13 13 ARG H H 10 9.626 8.142 1.484 1
1 107 . 16 1 1 A 13 13 ARG HA H 10 4.063 4.018 0.045 1
1 114 . 16 1 1 A 13 13 ARG CA C 10 59.013 59.014 -0.001 1
1 115 . 16 1 1 A 13 13 ARG CB C 10 30.124 30.270 -0.146 1
1 118 . 16 1 1 A 13 13 ARG N N 10 117.930 119.670 -1.740 1
1 119 . 16 1 1 A 14 14 ALA H H 11 7.268 8.555 -1.287 1
1 120 . 16 1 1 A 14 14 ALA HA H 11 5.323 4.198 1.125 1
1 124 . 16 1 1 A 14 14 ALA CA C 11 53.013 55.002 -1.989 1
1 125 . 16 1 1 A 14 14 ALA CB C 11 18.072 18.710 -0.638 1
1 126 . 16 1 1 A 14 14 ALA N N 11 122.063 122.234 -0.171 1
1 127 . 16 1 1 A 15 15 LEU H H 12 8.773 8.000 0.773 1
1 128 . 16 1 1 A 15 15 LEU HA H 12 4.318 2.955 1.363 1
1 138 . 16 1 1 A 15 15 LEU CA C 12 57.404 57.628 -0.224 1
1 139 . 16 1 1 A 15 15 LEU CB C 12 41.842 41.299 0.543 1
1 143 . 16 1 1 A 15 15 LEU N N 12 121.956 118.794 3.162 1
1 144 . 16 1 1 A 16 16 LYS H H 13 7.515 7.783 -0.268 1
1 145 . 16 1 1 A 16 16 LYS HA H 13 4.099 3.812 0.287 1
1 154 . 16 1 1 A 16 16 LYS CA C 13 59.837 59.529 0.308 1
1 155 . 16 1 1 A 16 16 LYS CB C 13 32.297 31.965 0.332 1
1 159 . 16 1 1 A 16 16 LYS N N 13 118.250 117.726 0.524 1
1 160 . 16 1 1 A 17 17 GLU H H 14 7.416 8.088 -0.672 1
1 161 . 16 1 1 A 17 17 GLU HA H 14 3.959 4.034 -0.075 1
1 166 . 16 1 1 A 17 17 GLU CA C 14 59.458 59.392 0.066 1
1 167 . 16 1 1 A 17 17 GLU CB C 14 29.644 29.575 0.069 1
1 169 . 16 1 1 A 17 17 GLU N N 14 118.330 119.865 -1.535 1
1 170 . 16 1 1 A 18 18 TRP H H 15 9.095 7.740 1.355 1
1 171 . 16 1 1 A 18 18 TRP HA H 15 4.013 4.528 -0.515 1
1 178 . 16 1 1 A 18 18 TRP CA C 15 60.476 59.954 0.522 1
1 179 . 16 1 1 A 18 18 TRP CB C 15 29.644 28.123 1.521 1
1 182 . 16 1 1 A 18 18 TRP N N 15 121.770 118.531 3.239 1
1 183 . 16 1 1 A 19 19 ARG H H 16 8.060 7.456 0.604 1
1 184 . 16 1 1 A 19 19 ARG HA H 16 4.030 4.166 -0.136 1
1 191 . 16 1 1 A 19 19 ARG CA C 16 57.993 58.825 -0.832 1
1 192 . 16 1 1 A 19 19 ARG CB C 16 29.948 29.753 0.195 1
1 195 . 16 1 1 A 19 19 ARG N N 16 113.396 121.983 -8.587 1
1 196 . 16 1 1 A 20 20 LYS H H 17 7.274 7.695 -0.421 1
1 197 . 16 1 1 A 20 20 LYS HA H 17 4.311 4.342 -0.031 1
1 206 . 16 1 1 A 20 20 LYS CA C 17 57.183 57.771 -0.588 1
1 207 . 16 1 1 A 20 20 LYS CB C 17 32.106 32.579 -0.473 1
1 211 . 16 1 1 A 20 20 LYS N N 17 116.232 115.541 0.691 1
1 212 . 16 1 1 A 21 21 LEU H H 18 7.359 6.895 0.464 1
1 213 . 16 1 1 A 21 21 LEU HA H 18 4.074 4.802 -0.728 1
1 223 . 16 1 1 A 21 21 LEU CA C 18 54.367 53.141 1.226 1
1 224 . 16 1 1 A 21 21 LEU CB C 18 43.185 44.427 -1.242 1
1 228 . 16 1 1 A 21 21 LEU N N 18 119.903 116.837 3.066 1
1 229 . 16 1 1 A 22 22 GLY H H 19 8.455 8.316 0.139 1
1 230 . 16 1 1 A 22 22 GLY HA2 H 19 4.103 4.035 0.068 1
1 231 . 16 1 1 A 22 22 GLY HA3 H 19 3.888 4.088 -0.200 1
1 232 . 16 1 1 A 22 22 GLY CA C 19 44.739 44.863 -0.124 1
1 233 . 16 1 1 A 22 22 GLY N N 19 108.063 107.304 0.759 1
1 234 . 16 1 1 A 23 23 SER H H 20 8.711 8.997 -0.286 1
1 235 . 16 1 1 A 23 23 SER HA H 20 4.422 4.229 0.193 1
1 238 . 16 1 1 A 23 23 SER CA C 20 58.325 61.303 -2.978 1
1 239 . 16 1 1 A 23 23 SER CB C 20 63.754 62.668 1.086 1
1 240 . 16 1 1 A 23 23 SER N N 20 117.509 115.758 1.751 1
1 241 . 16 1 1 A 24 24 THR H H 21 8.273 7.969 0.304 1
1 242 . 16 1 1 A 24 24 THR HA H 21 4.026 3.947 0.079 1
1 247 . 16 1 1 A 24 24 THR CA C 21 65.605 66.607 -1.002 1
1 248 . 16 1 1 A 24 24 THR CB C 21 68.013 68.171 -0.158 1
1 250 . 16 1 1 A 24 24 THR N N 21 116.047 116.412 -0.365 1
1 251 . 16 1 1 A 25 25 VAL H H 22 7.075 7.936 -0.861 1
1 252 . 16 1 1 A 25 25 VAL HA H 22 3.507 3.434 0.073 1
1 260 . 16 1 1 A 25 25 VAL CA C 22 65.475 66.907 -1.432 1
1 261 . 16 1 1 A 25 25 VAL CB C 22 31.319 31.125 0.194 1
1 264 . 16 1 1 A 25 25 VAL N N 22 122.543 121.666 0.877 1
1 265 . 16 1 1 A 26 26 ARG H H 23 7.781 7.735 0.046 1
1 266 . 16 1 1 A 26 26 ARG HA H 23 3.116 4.022 -0.906 1
1 273 . 16 1 1 A 26 26 ARG CA C 23 60.215 58.673 1.542 1
1 274 . 16 1 1 A 26 26 ARG CB C 23 30.555 29.672 0.883 1
1 277 . 16 1 1 A 26 26 ARG N N 23 118.490 119.558 -1.068 1
1 278 . 16 1 1 A 27 27 GLU H H 24 8.107 8.309 -0.202 1
1 279 . 16 1 1 A 27 27 GLU HA H 24 4.031 4.069 -0.038 1
1 284 . 16 1 1 A 27 27 GLU CA C 24 59.421 59.010 0.411 1
1 285 . 16 1 1 A 27 27 GLU CB C 24 29.126 29.283 -0.157 1
1 287 . 16 1 1 A 27 27 GLU N N 24 116.756 118.826 -2.070 1
1 288 . 16 1 1 A 28 28 GLN H H 25 7.760 7.887 -0.127 1
1 289 . 16 1 1 A 28 28 GLN HA H 25 4.097 3.993 0.104 1
1 296 . 16 1 1 A 28 28 GLN CA C 25 59.055 58.580 0.475 1
1 297 . 16 1 1 A 28 28 GLN CB C 25 29.925 27.874 2.051 1
1 299 . 16 1 1 A 28 28 GLN N N 25 118.410 119.051 -0.641 1
1 301 . 16 1 1 A 29 29 LEU H H 26 8.631 8.040 0.591 1
1 302 . 16 1 1 A 29 29 LEU HA H 26 4.145 3.994 0.151 1
1 312 . 16 1 1 A 29 29 LEU CA C 26 57.929 57.997 -0.068 1
1 313 . 16 1 1 A 29 29 LEU CB C 26 42.787 41.583 1.204 1
1 317 . 16 1 1 A 29 29 LEU N N 26 119.716 120.176 -0.460 1
1 318 . 16 1 1 A 30 30 LYS H H 27 9.183 8.037 1.146 1
1 319 . 16 1 1 A 30 30 LYS HA H 27 3.981 3.916 0.065 1
1 328 . 16 1 1 A 30 30 LYS CA C 27 61.364 60.130 1.234 1
1 329 . 16 1 1 A 30 30 LYS CB C 27 32.137 31.665 0.472 1
1 333 . 16 1 1 A 30 30 LYS N N 27 120.836 118.674 2.162 1
1 334 . 16 1 1 A 31 31 LYS H H 28 7.580 7.662 -0.082 1
1 335 . 16 1 1 A 31 31 LYS HA H 28 4.050 4.085 -0.035 1
1 344 . 16 1 1 A 31 31 LYS CA C 28 59.586 59.506 0.080 1
1 345 . 16 1 1 A 31 31 LYS CB C 28 32.373 32.145 0.228 1
1 349 . 16 1 1 A 31 31 LYS N N 28 116.783 119.834 -3.051 1
1 350 . 16 1 1 A 32 32 LYS H H 29 7.300 7.799 -0.499 1
1 351 . 16 1 1 A 32 32 LYS HA H 29 4.090 4.466 -0.376 1
1 360 . 16 1 1 A 32 32 LYS CA C 29 57.130 58.077 -0.947 1
1 361 . 16 1 1 A 32 32 LYS N N 29 116.383 118.917 -2.534 1
1 362 . 16 1 1 A 33 33 LEU H H 30 8.722 7.717 1.005 1
1 363 . 16 1 1 A 33 33 LEU HA H 30 3.881 3.997 -0.116 1
1 373 . 16 1 1 A 33 33 LEU CA C 30 57.634 57.285 0.349 1
1 374 . 16 1 1 A 33 33 LEU CB C 30 42.116 41.630 0.486 1
1 378 . 16 1 1 A 33 33 LEU N N 30 121.770 118.500 3.270 1
1 379 . 16 1 1 A 34 34 VAL H H 31 8.067 7.871 0.196 1
1 380 . 16 1 1 A 34 34 VAL HA H 31 3.479 3.819 -0.340 1
1 388 . 16 1 1 A 34 34 VAL CA C 31 66.847 64.745 2.102 1
1 389 . 16 1 1 A 34 34 VAL CB C 31 31.860 31.526 0.334 1
1 392 . 16 1 1 A 34 34 VAL N N 31 118.116 119.349 -1.233 1
1 393 . 16 1 1 A 35 35 GLU H H 32 6.825 8.321 -1.496 1
1 394 . 16 1 1 A 35 35 GLU HA H 32 4.090 4.057 0.033 1
1 399 . 16 1 1 A 35 35 GLU CA C 32 58.624 59.144 -0.520 1
1 400 . 16 1 1 A 35 35 GLU CB C 32 29.746 29.104 0.642 1
1 402 . 16 1 1 A 35 35 GLU N N 32 116.570 119.974 -3.404 1
1 403 . 16 1 1 A 36 36 VAL H H 33 7.785 7.184 0.601 1
1 404 . 16 1 1 A 36 36 VAL HA H 33 3.484 4.112 -0.628 1
1 412 . 16 1 1 A 36 36 VAL CA C 33 65.213 65.106 0.107 1
1 413 . 16 1 1 A 36 36 VAL CB C 33 31.932 31.207 0.725 1
1 416 . 16 1 1 A 36 36 VAL N N 33 120.618 117.094 3.524 1
1 417 . 16 1 1 A 37 37 LEU H H 34 7.956 7.276 0.680 1
1 418 . 16 1 1 A 37 37 LEU HA H 34 3.747 4.072 -0.325 1
1 428 . 16 1 1 A 37 37 LEU CA C 34 57.069 57.268 -0.199 1
1 429 . 16 1 1 A 37 37 LEU CB C 34 40.916 41.384 -0.468 1
1 433 . 16 1 1 A 37 37 LEU N N 34 115.476 121.738 -6.262 1
1 434 . 16 1 1 A 38 38 GLU H H 35 7.042 7.477 -0.435 1
1 435 . 16 1 1 A 38 38 GLU HA H 35 4.395 4.348 0.047 1
1 440 . 16 1 1 A 38 38 GLU CA C 35 57.553 57.987 -0.434 1
1 441 . 16 1 1 A 38 38 GLU CB C 35 30.234 30.762 -0.528 1
1 443 . 16 1 1 A 38 38 GLU N N 35 114.356 117.141 -2.785 1
1 444 . 16 1 1 A 39 39 SER H H 36 7.125 7.515 -0.390 1
1 445 . 16 1 1 A 39 39 SER HA H 36 4.593 4.951 -0.358 1
1 448 . 16 1 1 A 39 39 SER CA C 36 55.308 55.442 -0.134 1
1 449 . 16 1 1 A 39 39 SER CB C 36 62.305 63.250 -0.945 1
1 450 . 16 1 1 A 39 39 SER N N 36 109.796 114.534 -4.738 1
1 451 . 16 1 1 A 40 40 PRO HA H 37 4.360 4.491 -0.131 1
1 458 . 16 1 1 A 40 40 PRO CA C 37 64.802 63.607 1.195 1
1 459 . 16 1 1 A 40 40 PRO CB C 37 32.562 32.684 -0.122 1
1 462 . 16 1 1 A 41 41 ARG H H 38 8.356 8.213 0.143 1
1 463 . 16 1 1 A 41 41 ARG HA H 38 3.271 4.232 -0.961 1
1 470 . 16 1 1 A 41 41 ARG CA C 38 56.364 54.889 1.475 1
1 471 . 16 1 1 A 41 41 ARG CB C 38 29.580 28.679 0.901 1
1 474 . 16 1 1 A 41 41 ARG N N 38 120.882 118.760 2.122 1
1 475 . 16 1 1 A 42 42 ILE H H 39 5.973 7.252 -1.279 1
1 476 . 16 1 1 A 42 42 ILE HA H 39 4.216 4.200 0.016 1
1 486 . 16 1 1 A 42 42 ILE CA C 39 60.301 60.679 -0.378 1
1 487 . 16 1 1 A 42 42 ILE CB C 39 38.705 35.939 2.766 1
1 491 . 16 1 1 A 42 42 ILE N N 39 127.866 124.932 2.934 1
1 492 . 16 1 1 A 43 43 GLU H H 40 8.860 8.451 0.409 1
1 493 . 16 1 1 A 43 43 GLU HA H 40 4.218 4.205 0.013 1
1 498 . 16 1 1 A 43 43 GLU CA C 40 59.945 58.952 0.993 1
1 499 . 16 1 1 A 43 43 GLU CB C 40 29.040 28.951 0.089 1
1 501 . 16 1 1 A 43 43 GLU N N 40 129.498 125.603 3.895 1
1 502 . 16 1 1 A 44 44 ALA H H 41 8.827 7.766 1.061 1
1 503 . 16 1 1 A 44 44 ALA HA H 41 4.241 4.178 0.063 1
1 507 . 16 1 1 A 44 44 ALA CA C 41 54.035 54.786 -0.751 1
1 508 . 16 1 1 A 44 44 ALA CB C 41 18.466 18.766 -0.300 1
1 509 . 16 1 1 A 44 44 ALA N N 41 119.919 123.042 -3.123 1
1 510 . 16 1 1 A 45 45 ASN H H 42 8.184 7.851 0.333 1
1 511 . 16 1 1 A 45 45 ASN HA H 42 5.082 4.885 0.197 1
1 516 . 16 1 1 A 45 45 ASN CA C 42 51.401 53.241 -1.840 1
1 517 . 16 1 1 A 45 45 ASN CB C 42 38.684 39.078 -0.394 1
1 518 . 16 1 1 A 45 45 ASN N N 42 114.675 113.375 1.300 1
1 520 . 16 1 1 A 46 46 LYS H H 43 7.515 7.422 0.093 1
1 521 . 16 1 1 A 46 46 LYS HA H 43 3.741 4.527 -0.786 1
1 530 . 16 1 1 A 46 46 LYS CA C 43 57.354 56.371 0.983 1
1 531 . 16 1 1 A 46 46 LYS CB C 43 32.905 32.664 0.241 1
1 535 . 16 1 1 A 46 46 LYS N N 43 122.167 118.916 3.251 1
1 536 . 16 1 1 A 47 47 LEU H H 44 8.184 8.374 -0.190 1
1 537 . 16 1 1 A 47 47 LEU HA H 44 4.297 4.426 -0.129 1
1 547 . 16 1 1 A 47 47 LEU CA C 44 53.422 54.578 -1.156 1
1 548 . 16 1 1 A 47 47 LEU CB C 44 42.208 42.608 -0.400 1
1 552 . 16 1 1 A 47 47 LEU N N 44 127.544 122.656 4.888 1
1 553 . 16 1 1 A 48 48 ARG H H 45 8.706 8.870 -0.164 1
1 554 . 16 1 1 A 48 48 ARG HA H 45 3.918 3.996 -0.078 1
1 561 . 16 1 1 A 48 48 ARG CA C 45 57.765 59.639 -1.874 1
1 562 . 16 1 1 A 48 48 ARG CB C 45 29.686 30.290 -0.604 1
1 565 . 16 1 1 A 48 48 ARG N N 45 128.641 123.579 5.062 1
1 566 . 16 1 1 A 49 49 GLY H H 46 8.543 7.943 0.600 1
1 567 . 16 1 1 A 49 49 GLY HA2 H 46 4.129 3.961 0.168 1
1 568 . 16 1 1 A 49 49 GLY HA3 H 46 3.662 3.963 -0.301 1
1 569 . 16 1 1 A 49 49 GLY CA C 46 44.981 45.632 -0.651 1
1 570 . 16 1 1 A 49 49 GLY N N 46 110.474 106.011 4.463 1
1 571 . 16 1 1 A 50 50 MET H H 47 7.404 7.623 -0.219 1
1 572 . 16 1 1 A 50 50 MET HA H 47 5.226 4.849 0.377 1
1 580 . 16 1 1 A 50 50 MET CA C 47 50.824 52.253 -1.429 1
1 581 . 16 1 1 A 50 50 MET CB C 47 33.186 33.631 -0.445 1
1 584 . 16 1 1 A 50 50 MET N N 47 118.742 119.211 -0.469 1
1 585 . 16 1 1 A 51 51 PRO HA H 48 4.344 4.196 0.148 1
1 592 . 16 1 1 A 51 51 PRO CA C 48 63.591 64.916 -1.325 1
1 593 . 16 1 1 A 51 51 PRO CB C 48 31.942 31.876 0.066 1
1 596 . 16 1 1 A 52 52 ASP H H 49 8.703 8.367 0.336 1
1 597 . 16 1 1 A 52 52 ASP HA H 49 4.392 4.381 0.011 1
1 600 . 16 1 1 A 52 52 ASP CA C 49 56.244 54.147 2.097 1
1 601 . 16 1 1 A 52 52 ASP N N 49 116.361 115.846 0.515 1
1 602 . 16 1 1 A 53 53 CYS H H 50 7.456 7.132 0.324 1
1 603 . 16 1 1 A 53 53 CYS HA H 50 5.799 4.770 1.029 1
1 606 . 16 1 1 A 53 53 CYS CA C 50 58.147 57.146 1.001 1
1 607 . 16 1 1 A 53 53 CYS CB C 50 30.953 28.741 2.212 1
1 608 . 16 1 1 A 53 53 CYS N N 50 114.086 118.802 -4.716 1
1 609 . 16 1 1 A 54 54 TYR H H 51 8.939 8.632 0.307 1
1 610 . 16 1 1 A 54 54 TYR HA H 51 4.662 5.030 -0.368 1
1 617 . 16 1 1 A 54 54 TYR CA C 51 56.444 56.531 -0.087 1
1 618 . 16 1 1 A 54 54 TYR CB C 51 43.000 42.767 0.233 1
1 620 . 16 1 1 A 54 54 TYR N N 51 120.722 122.423 -1.701 1
1 621 . 16 1 1 A 55 55 LYS H H 52 8.665 8.886 -0.221 1
1 622 . 16 1 1 A 55 55 LYS HA H 52 5.456 5.144 0.312 1
1 631 . 16 1 1 A 55 55 LYS CA C 52 53.968 54.435 -0.467 1
1 632 . 16 1 1 A 55 55 LYS CB C 52 36.126 35.763 0.363 1
1 636 . 16 1 1 A 55 55 LYS N N 52 117.297 118.371 -1.074 1
1 637 . 16 1 1 A 56 56 ILE H H 53 9.272 9.130 0.142 1
1 638 . 16 1 1 A 56 56 ILE HA H 53 4.428 5.155 -0.727 1
1 648 . 16 1 1 A 56 56 ILE CA C 53 60.803 59.561 1.242 1
1 649 . 16 1 1 A 56 56 ILE CB C 53 40.849 41.176 -0.327 1
1 653 . 16 1 1 A 56 56 ILE N N 53 122.006 124.401 -2.395 1
1 654 . 16 1 1 A 57 57 LYS H H 54 8.745 8.901 -0.156 1
1 655 . 16 1 1 A 57 57 LYS HA H 54 5.093 5.456 -0.363 1
1 664 . 16 1 1 A 57 57 LYS CA C 54 54.227 54.395 -0.168 1
1 665 . 16 1 1 A 57 57 LYS CB C 54 35.595 36.310 -0.715 1
1 669 . 16 1 1 A 57 57 LYS N N 54 125.752 124.351 1.401 1
1 670 . 16 1 1 A 58 58 LEU H H 55 8.543 8.982 -0.439 1
1 671 . 16 1 1 A 58 58 LEU HA H 55 4.788 4.705 0.083 1
1 681 . 16 1 1 A 58 58 LEU CA C 55 53.151 54.333 -1.182 1
1 682 . 16 1 1 A 58 58 LEU CB C 55 41.238 42.122 -0.884 1
1 686 . 16 1 1 A 58 58 LEU N N 55 124.173 123.738 0.435 1
1 687 . 16 1 1 A 59 59 ARG HA H 56 4.039 4.026 0.013 1
1 694 . 16 1 1 A 59 59 ARG CA C 56 59.531 60.040 -0.509 1
1 695 . 16 1 1 A 59 59 ARG CB C 56 32.180 30.137 2.043 1
1 698 . 16 1 1 A 60 60 SER HA H 57 4.335 4.716 -0.381 1
1 701 . 16 1 1 A 60 60 SER CA C 57 60.035 58.443 1.592 1
1 702 . 16 1 1 A 60 60 SER CB C 57 62.551 64.014 -1.463 1
1 703 . 16 1 1 A 61 61 SER H H 58 7.605 8.021 -0.416 1
1 704 . 16 1 1 A 61 61 SER HA H 58 4.604 4.776 -0.172 1
1 707 . 16 1 1 A 61 61 SER CA C 58 58.122 58.288 -0.166 1
1 708 . 16 1 1 A 61 61 SER CB C 58 64.520 65.919 -1.399 1
1 709 . 16 1 1 A 61 61 SER N N 58 112.447 112.900 -0.453 1
1 710 . 16 1 1 A 62 62 GLY H H 59 8.214 8.634 -0.420 1
1 711 . 16 1 1 A 62 62 GLY HA2 H 59 4.091 3.878 0.213 1
1 712 . 16 1 1 A 62 62 GLY HA3 H 59 3.824 3.916 -0.092 1
1 713 . 16 1 1 A 62 62 GLY CA C 59 45.562 45.523 0.039 1
1 714 . 16 1 1 A 62 62 GLY N N 59 108.976 110.941 -1.965 1
1 715 . 16 1 1 A 63 63 TYR H H 60 7.283 8.085 -0.802 1
1 716 . 16 1 1 A 63 63 TYR HA H 60 4.619 4.607 0.012 1
1 723 . 16 1 1 A 63 63 TYR CA C 60 60.412 58.263 2.149 1
1 724 . 16 1 1 A 63 63 TYR CB C 60 40.339 39.306 1.033 1
1 727 . 16 1 1 A 63 63 TYR N N 60 117.859 120.063 -2.204 1
1 728 . 16 1 1 A 64 64 ARG H H 61 9.296 8.785 0.511 1
1 729 . 16 1 1 A 64 64 ARG HA H 61 5.634 5.672 -0.038 1
1 736 . 16 1 1 A 64 64 ARG CA C 61 54.114 54.403 -0.289 1
1 737 . 16 1 1 A 64 64 ARG CB C 61 33.245 34.937 -1.692 1
1 740 . 16 1 1 A 64 64 ARG N N 61 117.912 120.454 -2.542 1
1 741 . 16 1 1 A 65 65 LEU H H 62 9.077 8.752 0.325 1
1 742 . 16 1 1 A 65 65 LEU HA H 62 5.459 4.925 0.534 1
1 752 . 16 1 1 A 65 65 LEU CA C 62 54.114 54.733 -0.619 1
1 753 . 16 1 1 A 65 65 LEU CB C 62 46.977 45.729 1.248 1
1 757 . 16 1 1 A 65 65 LEU N N 62 123.590 123.752 -0.162 1
1 758 . 16 1 1 A 66 66 VAL H H 63 8.729 9.150 -0.421 1
1 759 . 16 1 1 A 66 66 VAL HA H 63 5.206 5.026 0.180 1
1 767 . 16 1 1 A 66 66 VAL CA C 63 60.112 61.044 -0.932 1
1 768 . 16 1 1 A 66 66 VAL CB C 63 34.296 32.633 1.663 1
1 771 . 16 1 1 A 66 66 VAL N N 63 123.237 127.920 -4.683 1
1 772 . 16 1 1 A 67 67 TYR H H 64 8.976 8.901 0.075 1
1 773 . 16 1 1 A 67 67 TYR HA H 64 5.745 5.415 0.330 1
1 780 . 16 1 1 A 67 67 TYR CA C 64 53.968 55.128 -1.160 1
1 781 . 16 1 1 A 67 67 TYR CB C 64 42.534 41.857 0.677 1
1 784 . 16 1 1 A 67 67 TYR N N 64 124.227 124.229 -0.002 1
1 785 . 16 1 1 A 68 68 GLN H H 65 9.696 8.938 0.758 1
1 786 . 16 1 1 A 68 68 GLN HA H 65 5.640 5.386 0.254 1
1 793 . 16 1 1 A 68 68 GLN CA C 65 52.933 54.023 -1.090 1
1 794 . 16 1 1 A 68 68 GLN CB C 65 33.585 32.161 1.424 1
1 796 . 16 1 1 A 68 68 GLN N N 65 122.541 120.113 2.428 1
1 798 . 16 1 1 A 69 69 VAL H H 66 9.050 8.561 0.489 1
1 799 . 16 1 1 A 69 69 VAL HA H 66 4.513 4.750 -0.237 1
1 807 . 16 1 1 A 69 69 VAL CA C 66 62.534 60.823 1.711 1
1 808 . 16 1 1 A 69 69 VAL CB C 66 33.052 33.936 -0.884 1
1 811 . 16 1 1 A 69 69 VAL N N 66 127.437 126.064 1.373 1
1 812 . 16 1 1 A 70 70 ILE H H 67 9.385 9.129 0.256 1
1 813 . 16 1 1 A 70 70 ILE HA H 67 4.475 4.676 -0.201 1
1 823 . 16 1 1 A 70 70 ILE CA C 67 59.863 60.555 -0.692 1
1 824 . 16 1 1 A 70 70 ILE CB C 67 37.487 39.993 -2.506 1
1 828 . 16 1 1 A 70 70 ILE N N 67 129.296 130.026 -0.730 1
1 829 . 16 1 1 A 71 71 ASP H H 68 9.343 9.196 0.147 1
1 830 . 16 1 1 A 71 71 ASP HA H 68 4.595 4.830 -0.235 1
1 833 . 16 1 1 A 71 71 ASP CA C 68 58.841 55.647 3.194 1
1 834 . 16 1 1 A 71 71 ASP CB C 68 40.637 40.663 -0.026 1
1 835 . 16 1 1 A 71 71 ASP N N 68 128.749 127.396 1.353 1
1 836 . 16 1 1 A 72 72 GLU H H 69 9.718 8.771 0.947 1
1 837 . 16 1 1 A 72 72 GLU HA H 69 4.124 4.123 0.001 1
1 842 . 16 1 1 A 72 72 GLU CA C 69 59.335 59.475 -0.140 1
1 843 . 16 1 1 A 72 72 GLU CB C 69 29.131 29.206 -0.075 1
1 845 . 16 1 1 A 72 72 GLU N N 69 118.929 120.052 -1.123 1
1 846 . 16 1 1 A 73 73 LYS H H 70 6.653 7.815 -1.162 1
1 847 . 16 1 1 A 73 73 LYS HA H 70 4.517 4.364 0.153 1
1 856 . 16 1 1 A 73 73 LYS CA C 70 54.587 56.305 -1.718 1
1 857 . 16 1 1 A 73 73 LYS CB C 70 33.843 33.019 0.824 1
1 861 . 16 1 1 A 73 73 LYS N N 70 114.113 117.473 -3.360 1
1 862 . 16 1 1 A 74 74 VAL H H 71 7.832 7.687 0.145 1
1 863 . 16 1 1 A 74 74 VAL HA H 71 3.012 3.762 -0.750 1
1 871 . 16 1 1 A 74 74 VAL CA C 71 63.090 63.422 -0.332 1
1 872 . 16 1 1 A 74 74 VAL CB C 71 29.226 29.082 0.144 1
1 875 . 16 1 1 A 74 74 VAL N N 71 119.223 116.584 2.639 1
1 876 . 16 1 1 A 75 75 VAL H H 72 7.732 7.720 0.012 1
1 877 . 16 1 1 A 75 75 VAL HA H 72 4.950 5.352 -0.402 1
1 885 . 16 1 1 A 75 75 VAL CA C 72 60.455 59.338 1.117 1
1 886 . 16 1 1 A 75 75 VAL CB C 72 37.925 36.292 1.633 1
1 889 . 16 1 1 A 75 75 VAL N N 72 117.190 116.398 0.792 1
1 890 . 16 1 1 A 76 76 VAL H H 73 9.026 8.852 0.174 1
1 891 . 16 1 1 A 76 76 VAL HA H 73 4.349 4.539 -0.190 1
1 899 . 16 1 1 A 76 76 VAL CA C 73 62.527 61.605 0.922 1
1 900 . 16 1 1 A 76 76 VAL CB C 73 32.882 31.822 1.060 1
1 903 . 16 1 1 A 76 76 VAL N N 73 128.347 123.731 4.616 1
1 904 . 16 1 1 A 77 77 PHE H H 74 9.629 9.187 0.442 1
1 905 . 16 1 1 A 77 77 PHE HA H 74 5.898 4.935 0.963 1
1 913 . 16 1 1 A 77 77 PHE CA C 74 51.863 56.236 -4.373 1
1 914 . 16 1 1 A 77 77 PHE CB C 74 40.214 39.435 0.779 1
1 918 . 16 1 1 A 77 77 PHE N N 74 128.802 129.178 -0.376 1
1 919 . 16 1 1 A 78 78 VAL H H 75 9.535 8.785 0.750 1
1 920 . 16 1 1 A 78 78 VAL HA H 75 3.712 3.909 -0.197 1
1 928 . 16 1 1 A 78 78 VAL CA C 75 63.939 63.641 0.298 1
1 929 . 16 1 1 A 78 78 VAL CB C 75 31.079 31.145 -0.066 1
1 932 . 16 1 1 A 78 78 VAL N N 75 128.588 127.698 0.890 1
1 933 . 16 1 1 A 79 79 ILE H H 76 8.515 9.015 -0.500 1
1 934 . 16 1 1 A 79 79 ILE HA H 76 3.443 3.895 -0.452 1
1 944 . 16 1 1 A 79 79 ILE CA C 76 61.950 62.137 -0.187 1
1 945 . 16 1 1 A 79 79 ILE CB C 76 40.800 38.362 2.438 1
1 949 . 16 1 1 A 79 79 ILE N N 76 126.287 128.287 -2.000 1
1 950 . 16 1 1 A 80 80 SER H H 77 7.180 7.769 -0.589 1
1 951 . 16 1 1 A 80 80 SER HA H 77 4.506 5.146 -0.640 1
1 954 . 16 1 1 A 80 80 SER CA C 77 57.464 57.674 -0.210 1
1 955 . 16 1 1 A 80 80 SER CB C 77 64.912 66.667 -1.755 1
1 956 . 16 1 1 A 80 80 SER N N 77 111.625 115.661 -4.036 1
1 957 . 16 1 1 A 81 81 VAL H H 78 8.641 8.716 -0.075 1
1 958 . 16 1 1 A 81 81 VAL HA H 78 5.066 4.964 0.102 1
1 966 . 16 1 1 A 81 81 VAL CA C 78 60.913 60.928 -0.015 1
1 967 . 16 1 1 A 81 81 VAL CB C 78 35.010 35.351 -0.341 1
1 970 . 16 1 1 A 81 81 VAL N N 78 126.742 122.944 3.798 1
1 971 . 16 1 1 A 82 82 GLY H H 79 8.658 8.446 0.212 1
1 972 . 16 1 1 A 82 82 GLY HA2 H 79 4.370 4.251 0.119 1
1 973 . 16 1 1 A 82 82 GLY HA3 H 79 4.160 4.406 -0.246 1
1 974 . 16 1 1 A 82 82 GLY CA C 79 46.036 44.414 1.622 1
1 975 . 16 1 1 A 82 82 GLY N N 79 111.223 112.055 -0.832 1
1 976 . 16 1 1 A 83 83 LYS H H 80 8.569 8.321 0.248 1
1 977 . 16 1 1 A 83 83 LYS HA H 80 4.369 4.658 -0.289 1
1 986 . 16 1 1 A 83 83 LYS CA C 80 54.855 55.090 -0.235 1
1 987 . 16 1 1 A 83 83 LYS CB C 80 34.866 32.506 2.360 1
1 991 . 16 1 1 A 83 83 LYS N N 80 121.257 120.405 0.852 1
1 992 . 16 1 1 A 84 84 ALA H H 81 8.334 8.880 -0.546 1
1 993 . 16 1 1 A 84 84 ALA HA H 81 4.274 4.805 -0.531 1
1 997 . 16 1 1 A 84 84 ALA CA C 81 52.003 50.668 1.335 1
1 998 . 16 1 1 A 84 84 ALA CB C 81 19.185 20.030 -0.845 1
1 999 . 16 1 1 A 84 84 ALA N N 81 126.662 128.344 -1.682 1
1 1000 . 16 1 1 A 85 85 GLU H H 82 8.638 8.445 0.193 1
1 1001 . 16 1 1 A 85 85 GLU HA H 82 4.214 4.686 -0.472 1
1 1006 . 16 1 1 A 85 85 GLU CA C 82 56.366 54.822 1.544 1
1 1007 . 16 1 1 A 85 85 GLU CB C 82 30.238 30.823 -0.585 1
1 1009 . 16 1 1 A 85 85 GLU N N 82 121.819 124.190 -2.371 1
1 1010 . 16 1 1 A 86 86 ALA H H 83 8.462 8.219 0.243 1
1 1011 . 16 1 1 A 86 86 ALA HA H 83 4.341 4.636 -0.295 1
1 1015 . 16 1 1 A 86 86 ALA CA C 83 52.156 51.167 0.989 1
1 1016 . 16 1 1 A 86 86 ALA CB C 83 19.206 19.236 -0.030 1
1 1017 . 16 1 1 A 86 86 ALA N N 83 125.350 122.524 2.826 1
1 1018 . 16 1 1 A 87 87 SER H H 84 8.309 7.954 0.355 1
1 1019 . 16 1 1 A 87 87 SER HA H 84 4.400 4.132 0.268 1
1 1022 . 16 1 1 A 87 87 SER CA C 84 58.058 61.384 -3.326 1
1 1023 . 16 1 1 A 87 87 SER CB C 84 63.845 63.056 0.789 1
1 1024 . 16 1 1 A 87 87 SER N N 84 115.397 115.306 0.091 1
1 1025 . 16 1 1 A 88 88 GLU H H 85 8.443 7.800 0.643 1
1 1026 . 16 1 1 A 88 88 GLU HA H 85 4.318 4.305 0.013 1
1 1031 . 16 1 1 A 88 88 GLU CA C 85 56.465 55.551 0.914 1
1 1032 . 16 1 1 A 88 88 GLU CB C 85 30.464 30.448 0.016 1
1 1034 . 16 1 1 A 88 88 GLU N N 85 122.947 116.131 6.816 1
1 1035 . 16 1 1 A 89 89 VAL H H 86 8.098 7.522 0.576 1
1 1036 . 16 1 1 A 89 89 VAL HA H 86 4.044 3.816 0.228 1
1 1044 . 16 1 1 A 89 89 VAL CA C 86 62.293 64.297 -2.004 1
1 1045 . 16 1 1 A 89 89 VAL CB C 86 32.703 31.642 1.061 1
1 1048 . 16 1 1 A 89 89 VAL N N 86 120.884 120.404 0.480 1
1 1049 . 16 1 1 A 90 90 TYR H H 87 8.313 7.479 0.834 1
1 1050 . 16 1 1 A 90 90 TYR HA H 87 4.623 4.554 0.069 1
1 1057 . 16 1 1 A 90 90 TYR CA C 87 57.791 57.538 0.253 1
1 1058 . 16 1 1 A 90 90 TYR CB C 87 38.795 39.134 -0.339 1
1 1061 . 16 1 1 A 90 90 TYR N N 87 124.634 119.531 5.103 1
1 1062 . 16 1 1 A 91 91 SER H H 88 8.140 7.659 0.481 1
1 1063 . 16 1 1 A 91 91 SER HA H 88 4.411 4.115 0.296 1
1 1066 . 16 1 1 A 91 91 SER CA C 88 58.396 62.525 -4.129 1
1 1067 . 16 1 1 A 91 91 SER CB C 88 63.703 63.222 0.481 1
1 1068 . 16 1 1 A 91 91 SER N N 88 118.447 118.456 -0.009 1
1 1069 . 16 1 1 A 92 92 GLU H H 89 8.400 7.994 0.406 1
1 1070 . 16 1 1 A 92 92 GLU HA H 89 4.245 4.129 0.116 1
1 1075 . 16 1 1 A 92 92 GLU CA C 89 56.465 58.284 -1.819 1
1 1076 . 16 1 1 A 92 92 GLU CB C 89 29.471 29.613 -0.142 1
1 1078 . 16 1 1 A 92 92 GLU N N 89 122.947 120.819 2.128 1
1 1079 . 16 1 1 A 93 93 ALA H H 90 8.224 7.910 0.314 1
1 1080 . 16 1 1 A 93 93 ALA HA H 90 4.287 4.634 -0.347 1
1 1084 . 16 1 1 A 93 93 ALA CA C 90 52.598 50.578 2.020 1
1 1085 . 16 1 1 A 93 93 ALA CB C 90 18.864 20.355 -1.491 1
1 1086 . 16 1 1 A 93 93 ALA N N 90 124.404 121.419 2.985 1
1 1087 . 16 1 1 A 94 94 VAL H H 91 7.971 8.853 -0.882 1
1 1088 . 16 1 1 A 94 94 VAL HA H 91 4.060 4.800 -0.740 1
1 1096 . 16 1 1 A 94 94 VAL CA C 91 62.072 59.334 2.738 1
1 1097 . 16 1 1 A 94 94 VAL CB C 91 32.601 34.048 -1.447 1
1 1100 . 16 1 1 A 94 94 VAL N N 91 119.330 119.246 0.084 1
1 1101 . 16 1 1 A 95 95 LYS H H 92 8.271 8.494 -0.223 1
1 1102 . 16 1 1 A 95 95 LYS HA H 92 4.313 4.407 -0.094 1
1 1111 . 16 1 1 A 95 95 LYS CA C 92 56.078 57.686 -1.608 1
1 1112 . 16 1 1 A 95 95 LYS CB C 92 32.924 33.791 -0.867 1
1 1116 . 16 1 1 A 95 95 LYS N N 92 124.941 120.561 4.380 1
1 1117 . 16 1 1 A 96 96 ARG H H 93 8.317 7.887 0.430 1
1 1118 . 16 1 1 A 96 96 ARG HA H 93 4.360 4.127 0.233 1
1 1125 . 16 1 1 A 96 96 ARG CA C 93 55.901 58.834 -2.933 1
1 1126 . 16 1 1 A 96 96 ARG CB C 93 30.906 31.083 -0.177 1
1 1129 . 16 1 1 A 96 96 ARG N N 93 122.918 119.586 3.332 1
1 1130 . 16 1 1 A 97 97 ILE H H 94 8.251 7.764 0.487 1
1 1131 . 16 1 1 A 97 97 ILE HA H 94 4.184 4.646 -0.462 1
1 1141 . 16 1 1 A 97 97 ILE CA C 94 60.946 59.058 1.888 1
1 1142 . 16 1 1 A 97 97 ILE CB C 94 38.298 41.973 -3.675 1
1 1146 . 16 1 1 A 97 97 ILE N N 94 123.301 118.771 4.530 1
1 1191 . 16 2 2 B 5 5 GLN H H 48 8.533 8.101 0.432 1
1 1192 . 16 2 2 B 5 5 GLN HA H 48 4.390 3.956 0.434 1
1 1199 . 16 2 2 B 5 5 GLN C C 48 175.953 174.576 1.377 1
1 1200 . 16 2 2 B 5 5 GLN CA C 48 55.760 56.650 -0.890 1
1 1201 . 16 2 2 B 5 5 GLN CB C 48 29.225 27.117 2.108 1
1 1203 . 16 2 2 B 5 5 GLN N N 48 122.121 118.632 3.489 1
1 1205 . 16 2 2 B 6 6 THR H H 49 8.281 7.894 0.387 1
1 1206 . 16 2 2 B 6 6 THR HA H 49 4.316 4.932 -0.616 1
1 1211 . 16 2 2 B 6 6 THR C C 49 174.156 174.648 -0.492 1
1 1212 . 16 2 2 B 6 6 THR CA C 49 61.724 59.288 2.436 1
1 1213 . 16 2 2 B 6 6 THR CB C 49 69.452 72.582 -3.130 1
1 1215 . 16 2 2 B 6 6 THR N N 49 116.639 112.375 4.264 1
1 1216 . 16 2 2 B 7 7 LEU H H 50 8.328 8.645 -0.317 1
1 1217 . 16 2 2 B 7 7 LEU HA H 50 4.381 4.242 0.139 1
1 1227 . 16 2 2 B 7 7 LEU C C 50 176.985 176.913 0.072 1
1 1228 . 16 2 2 B 7 7 LEU CA C 50 55.093 56.406 -1.313 1
1 1229 . 16 2 2 B 7 7 LEU CB C 50 42.122 42.822 -0.700 1
1 1233 . 16 2 2 B 7 7 LEU N N 50 125.001 120.952 4.049 1
1 1234 . 16 2 2 B 8 8 LEU H H 51 8.264 7.427 0.837 1
1 1235 . 16 2 2 B 8 8 LEU HA H 51 4.410 4.805 -0.395 1
1 1245 . 16 2 2 B 8 8 LEU C C 51 177.235 175.625 1.610 1
1 1246 . 16 2 2 B 8 8 LEU CA C 51 54.936 53.060 1.876 1
1 1247 . 16 2 2 B 8 8 LEU CB C 51 42.292 44.173 -1.881 1
1 1251 . 16 2 2 B 8 8 LEU N N 51 123.073 115.819 7.254 1
1 1252 . 16 2 2 B 9 9 SER H H 52 8.499 8.980 -0.481 1
1 1253 . 16 2 2 B 9 9 SER HA H 52 4.410 4.774 -0.364 1
1 1256 . 16 2 2 B 9 9 SER C C 52 174.083 173.108 0.975 1
1 1257 . 16 2 2 B 9 9 SER CA C 52 57.757 55.916 1.841 1
1 1258 . 16 2 2 B 9 9 SER CB C 52 63.734 65.278 -1.544 1
1 1259 . 16 2 2 B 9 9 SER N N 52 117.150 114.016 3.134 1
1 1260 . 16 2 2 B 10 10 ASP H H 53 8.416 8.981 -0.565 1
1 1261 . 16 2 2 B 10 10 ASP HA H 53 4.575 4.579 -0.004 1
1 1264 . 16 2 2 B 10 10 ASP C C 53 176.911 178.177 -1.266 1
1 1265 . 16 2 2 B 10 10 ASP CA C 53 54.678 55.965 -1.287 1
1 1266 . 16 2 2 B 10 10 ASP CB C 53 40.771 40.444 0.327 1
1 1267 . 16 2 2 B 10 10 ASP N N 53 122.632 123.502 -0.870 1
1 1268 . 16 2 2 B 11 11 GLU H H 54 8.486 8.757 -0.271 1
1 1269 . 16 2 2 B 11 11 GLU HA H 54 4.155 4.061 0.094 1
1 1274 . 16 2 2 B 11 11 GLU C C 54 177.220 178.302 -1.082 1
1 1275 . 16 2 2 B 11 11 GLU CA C 54 58.488 59.516 -1.028 1
1 1276 . 16 2 2 B 11 11 GLU CB C 54 29.615 29.078 0.537 1
1 1278 . 16 2 2 B 11 11 GLU N N 54 121.842 118.346 3.496 1
1 1279 . 16 2 2 B 12 12 ASP H H 55 8.301 7.721 0.580 1
1 1280 . 16 2 2 B 12 12 ASP HA H 55 4.470 4.288 0.182 1
1 1283 . 16 2 2 B 12 12 ASP C C 55 177.161 178.280 -1.119 1
1 1284 . 16 2 2 B 12 12 ASP CA C 55 55.901 57.167 -1.266 1
1 1285 . 16 2 2 B 12 12 ASP CB C 55 40.503 40.310 0.193 1
1 1286 . 16 2 2 B 12 12 ASP N N 55 120.309 120.612 -0.303 1
1 1287 . 16 2 2 B 13 13 ALA H H 56 8.114 8.057 0.057 1
1 1288 . 16 2 2 B 13 13 ALA HA H 56 3.986 4.050 -0.064 1
1 1292 . 16 2 2 B 13 13 ALA C C 56 180.446 179.584 0.862 1
1 1293 . 16 2 2 B 13 13 ALA CA C 56 55.422 54.548 0.874 1
1 1294 . 16 2 2 B 13 13 ALA CB C 56 18.001 18.237 -0.236 1
1 1295 . 16 2 2 B 13 13 ALA N N 56 122.864 122.514 0.350 1
1 1296 . 16 2 2 B 14 14 GLU H H 57 8.105 7.837 0.268 1
1 1297 . 16 2 2 B 14 14 GLU HA H 57 4.010 4.114 -0.104 1
1 1302 . 16 2 2 B 14 14 GLU C C 57 178.914 179.015 -0.101 1
1 1303 . 16 2 2 B 14 14 GLU CA C 57 59.175 58.583 0.592 1
1 1304 . 16 2 2 B 14 14 GLU CB C 57 28.904 29.650 -0.746 1
1 1306 . 16 2 2 B 14 14 GLU N N 57 117.931 118.458 -0.527 1
1 1307 . 16 2 2 B 15 15 LEU H H 58 7.813 7.861 -0.048 1
1 1308 . 16 2 2 B 15 15 LEU HA H 58 4.062 4.067 -0.005 1
1 1318 . 16 2 2 B 15 15 LEU C C 58 178.634 179.505 -0.871 1
1 1319 . 16 2 2 B 15 15 LEU CA C 58 56.960 57.799 -0.839 1
1 1320 . 16 2 2 B 15 15 LEU CB C 58 41.973 41.411 0.562 1
1 1324 . 16 2 2 B 15 15 LEU N N 58 119.867 120.046 -0.179 1
1 1325 . 16 2 2 B 16 16 VAL H H 59 8.491 7.878 0.613 1
1 1326 . 16 2 2 B 16 16 VAL HA H 59 3.365 3.880 -0.515 1
1 1334 . 16 2 2 B 16 16 VAL C C 59 177.147 177.771 -0.624 1
1 1335 . 16 2 2 B 16 16 VAL CA C 59 67.142 65.388 1.754 1
1 1336 . 16 2 2 B 16 16 VAL CB C 59 31.176 31.437 -0.261 1
1 1339 . 16 2 2 B 16 16 VAL N N 59 118.357 115.431 2.926 1
1 1340 . 16 2 2 B 17 17 GLU H H 60 7.411 8.454 -1.043 1
1 1341 . 16 2 2 B 17 17 GLU HA H 60 4.015 4.095 -0.080 1
1 1346 . 16 2 2 B 17 17 GLU C C 60 179.636 178.875 0.761 1
1 1347 . 16 2 2 B 17 17 GLU CA C 60 59.203 59.079 0.124 1
1 1348 . 16 2 2 B 17 17 GLU CB C 60 28.970 29.107 -0.137 1
1 1350 . 16 2 2 B 17 17 GLU N N 60 117.103 120.403 -3.300 1
1 1351 . 16 2 2 B 18 18 ILE H H 61 7.574 7.543 0.031 1
1 1352 . 16 2 2 B 18 18 ILE HA H 61 3.830 3.691 0.139 1
1 1362 . 16 2 2 B 18 18 ILE C C 61 178.001 178.349 -0.348 1
1 1363 . 16 2 2 B 18 18 ILE CA C 61 63.982 64.994 -1.012 1
1 1364 . 16 2 2 B 18 18 ILE CB C 61 38.483 37.587 0.896 1
1 1368 . 16 2 2 B 18 18 ILE N N 61 120.727 121.394 -0.667 1
1 1369 . 16 2 2 B 19 19 VAL H H 62 8.294 8.134 0.160 1
1 1370 . 16 2 2 B 19 19 VAL HA H 62 3.360 3.777 -0.417 1
1 1378 . 16 2 2 B 19 19 VAL C C 62 177.338 177.794 -0.456 1
1 1379 . 16 2 2 B 19 19 VAL CA C 62 66.364 65.432 0.932 1
1 1380 . 16 2 2 B 19 19 VAL CB C 62 31.203 31.407 -0.204 1
1 1383 . 16 2 2 B 19 19 VAL N N 62 119.635 121.351 -1.716 1
1 1384 . 16 2 2 B 20 20 LYS H H 63 8.780 8.077 0.703 1
1 1385 . 16 2 2 B 20 20 LYS HA H 63 3.784 4.005 -0.221 1
1 1394 . 16 2 2 B 20 20 LYS C C 63 179.209 178.790 0.419 1
1 1395 . 16 2 2 B 20 20 LYS CA C 63 60.096 58.846 1.250 1
1 1396 . 16 2 2 B 20 20 LYS CB C 63 32.673 31.848 0.825 1
1 1400 . 16 2 2 B 20 20 LYS N N 63 118.009 120.647 -2.638 1
1 1401 . 16 2 2 B 21 21 GLU H H 64 7.567 7.927 -0.360 1
1 1402 . 16 2 2 B 21 21 GLU HA H 64 4.084 4.059 0.025 1
1 1407 . 16 2 2 B 21 21 GLU C C 64 179.592 179.734 -0.142 1
1 1408 . 16 2 2 B 21 21 GLU CA C 64 58.728 59.382 -0.654 1
1 1409 . 16 2 2 B 21 21 GLU CB C 64 28.974 29.043 -0.069 1
1 1411 . 16 2 2 B 21 21 GLU N N 64 117.452 119.548 -2.096 1
1 1412 . 16 2 2 B 22 22 ARG H H 65 8.156 7.899 0.257 1
1 1413 . 16 2 2 B 22 22 ARG HA H 65 4.053 4.110 -0.057 1
1 1420 . 16 2 2 B 22 22 ARG C C 65 177.986 179.293 -1.307 1
1 1421 . 16 2 2 B 22 22 ARG CA C 65 61.243 58.464 2.779 1
1 1422 . 16 2 2 B 22 22 ARG CB C 65 29.980 30.171 -0.191 1
1 1425 . 16 2 2 B 22 22 ARG N N 65 119.635 119.904 -0.269 1
1 1426 . 16 2 2 B 23 23 LEU H H 66 8.436 8.024 0.412 1
1 1427 . 16 2 2 B 23 23 LEU HA H 66 4.106 4.138 -0.032 1
1 1437 . 16 2 2 B 23 23 LEU C C 66 178.620 178.422 0.198 1
1 1438 . 16 2 2 B 23 23 LEU CA C 66 56.667 57.241 -0.574 1
1 1439 . 16 2 2 B 23 23 LEU CB C 66 41.465 41.241 0.224 1
1 1443 . 16 2 2 B 23 23 LEU N N 66 115.686 121.907 -6.221 1
1 1444 . 16 2 2 B 24 24 ARG H H 67 7.404 8.052 -0.648 1
1 1445 . 16 2 2 B 24 24 ARG HA H 67 4.165 4.254 -0.089 1
1 1452 . 16 2 2 B 24 24 ARG C C 67 177.147 176.511 0.636 1
1 1453 . 16 2 2 B 24 24 ARG CA C 67 59.004 57.641 1.363 1
1 1454 . 16 2 2 B 24 24 ARG CB C 67 30.472 30.583 -0.111 1
1 1457 . 16 2 2 B 24 24 ARG N N 67 118.427 116.226 2.201 1
1 1458 . 16 2 2 B 25 25 ASN H H 68 7.322 7.842 -0.520 1
1 1459 . 16 2 2 B 25 25 ASN HA H 68 5.064 5.094 -0.030 1
1 1464 . 16 2 2 B 25 25 ASN CA C 68 51.014 50.910 0.104 1
1 1465 . 16 2 2 B 25 25 ASN CB C 68 38.696 38.251 0.445 1
1 1466 . 16 2 2 B 25 25 ASN N N 68 114.083 117.647 -3.564 1
1 1468 . 16 2 2 B 26 26 PRO HA H 69 4.521 4.415 0.106 1
1 1475 . 16 2 2 B 26 26 PRO C C 69 177.323 176.906 0.417 1
1 1476 . 16 2 2 B 26 26 PRO CA C 69 63.698 64.948 -1.250 1
1 1477 . 16 2 2 B 26 26 PRO CB C 69 33.286 31.630 1.656 1
1 1480 . 16 2 2 B 27 27 LYS H H 70 8.672 7.937 0.735 1
1 1481 . 16 2 2 B 27 27 LYS HA H 70 4.980 3.986 0.994 1
1 1490 . 16 2 2 B 27 27 LYS CA C 70 52.767 56.547 -3.780 1
1 1491 . 16 2 2 B 27 27 LYS CB C 70 33.540 31.056 2.484 1
1 1495 . 16 2 2 B 27 27 LYS N N 70 121.210 115.944 5.266 1
1 1496 . 16 2 2 B 28 28 PRO HA H 71 4.467 4.701 -0.234 1
1 1503 . 16 2 2 B 28 28 PRO C C 71 177.235 175.795 1.440 1
1 1504 . 16 2 2 B 28 28 PRO CA C 71 63.859 62.658 1.201 1
1 1505 . 16 2 2 B 28 28 PRO CB C 71 32.632 32.000 0.632 1
1 1508 . 16 2 2 B 29 29 VAL H H 72 9.036 8.622 0.414 1
1 1509 . 16 2 2 B 29 29 VAL HA H 72 4.155 4.369 -0.214 1
1 1517 . 16 2 2 B 29 29 VAL C C 72 174.554 174.937 -0.383 1
1 1518 . 16 2 2 B 29 29 VAL CA C 72 61.506 61.201 0.305 1
1 1519 . 16 2 2 B 29 29 VAL CB C 72 34.764 33.193 1.571 1
1 1522 . 16 2 2 B 29 29 VAL N N 72 124.322 123.939 0.383 1
1 1523 . 16 2 2 B 30 30 ARG H H 73 8.437 8.674 -0.237 1
1 1524 . 16 2 2 B 30 30 ARG HA H 73 5.195 4.574 0.621 1
1 1531 . 16 2 2 B 30 30 ARG C C 73 176.248 176.196 0.052 1
1 1532 . 16 2 2 B 30 30 ARG CA C 73 55.189 56.115 -0.926 1
1 1533 . 16 2 2 B 30 30 ARG CB C 73 27.764 30.664 -2.900 1
1 1536 . 16 2 2 B 30 30 ARG N N 73 129.461 128.329 1.132 1
1 1537 . 16 2 2 B 31 31 VAL H H 74 8.822 8.893 -0.071 1
1 1538 . 16 2 2 B 31 31 VAL HA H 74 4.889 5.134 -0.245 1
1 1546 . 16 2 2 B 31 31 VAL C C 74 173.965 173.988 -0.023 1
1 1547 . 16 2 2 B 31 31 VAL CA C 74 59.055 59.378 -0.323 1
1 1548 . 16 2 2 B 31 31 VAL CB C 74 35.653 36.065 -0.412 1
1 1551 . 16 2 2 B 31 31 VAL N N 74 123.375 120.265 3.110 1
1 1552 . 16 2 2 B 32 32 THR H H 75 7.855 8.356 -0.501 1
1 1553 . 16 2 2 B 32 32 THR HA H 75 4.730 5.057 -0.327 1
1 1558 . 16 2 2 B 32 32 THR C C 75 175.865 174.969 0.896 1
1 1559 . 16 2 2 B 32 32 THR CA C 75 59.052 59.211 -0.159 1
1 1560 . 16 2 2 B 32 32 THR CB C 75 71.228 71.911 -0.683 1
1 1562 . 16 2 2 B 32 32 THR N N 75 109.507 110.555 -1.048 1
1 1563 . 16 2 2 B 33 33 LEU H H 76 8.841 8.886 -0.045 1
1 1564 . 16 2 2 B 33 33 LEU HA H 76 3.773 4.125 -0.352 1
1 1574 . 16 2 2 B 33 33 LEU C C 76 178.737 178.671 0.066 1
1 1575 . 16 2 2 B 33 33 LEU CA C 76 57.892 56.733 1.159 1
1 1576 . 16 2 2 B 33 33 LEU CB C 76 41.057 41.671 -0.614 1
1 1580 . 16 2 2 B 33 33 LEU N N 76 121.099 122.086 -0.987 1
1 1581 . 16 2 2 B 34 34 ASP H H 77 7.983 8.184 -0.201 1
1 1582 . 16 2 2 B 34 34 ASP HA H 77 4.431 4.295 0.136 1
1 1585 . 16 2 2 B 34 34 ASP C C 77 177.088 178.094 -1.006 1
1 1586 . 16 2 2 B 34 34 ASP CA C 77 55.837 57.940 -2.103 1
1 1587 . 16 2 2 B 34 34 ASP CB C 77 40.498 41.021 -0.523 1
1 1588 . 16 2 2 B 34 34 ASP N N 77 113.851 119.961 -6.110 1
1 1589 . 16 2 2 B 35 35 GLU H H 78 7.561 8.148 -0.587 1
1 1590 . 16 2 2 B 35 35 GLU HA H 78 4.320 4.247 0.073 1
1 1595 . 16 2 2 B 35 35 GLU C C 78 175.482 177.298 -1.816 1
1 1596 . 16 2 2 B 35 35 GLU CA C 78 55.918 57.765 -1.847 1
1 1597 . 16 2 2 B 35 35 GLU CB C 78 30.767 29.739 1.028 1
1 1599 . 16 2 2 B 35 35 GLU N N 78 117.508 116.313 1.195 1
1 15 . 17 1 1 A 5 5 ALA H H 2 8.098 8.527 -0.429 1
1 16 . 17 1 1 A 5 5 ALA HA H 2 4.389 4.025 0.364 1
1 20 . 17 1 1 A 5 5 ALA CA C 2 51.852 54.996 -3.144 1
1 21 . 17 1 1 A 5 5 ALA CB C 2 19.420 19.071 0.349 1
1 22 . 17 1 1 A 5 5 ALA N N 2 125.572 122.862 2.710 1
1 23 . 17 1 1 A 6 6 TYR H H 3 8.402 8.075 0.327 1
1 24 . 17 1 1 A 6 6 TYR HA H 3 4.236 4.861 -0.625 1
1 31 . 17 1 1 A 6 6 TYR CA C 3 57.802 56.488 1.314 1
1 32 . 17 1 1 A 6 6 TYR CB C 3 39.608 40.629 -1.021 1
1 35 . 17 1 1 A 6 6 TYR N N 3 120.730 113.568 7.162 1
1 36 . 17 1 1 A 7 7 PHE H H 4 8.958 9.046 -0.088 1
1 37 . 17 1 1 A 7 7 PHE HA H 4 4.509 4.814 -0.305 1
1 45 . 17 1 1 A 7 7 PHE CA C 4 57.936 57.913 0.023 1
1 46 . 17 1 1 A 7 7 PHE CB C 4 40.613 39.968 0.645 1
1 50 . 17 1 1 A 7 7 PHE N N 4 118.436 121.893 -3.457 1
1 51 . 17 1 1 A 8 8 LEU H H 5 8.711 8.721 -0.010 1
1 52 . 17 1 1 A 8 8 LEU HA H 5 5.336 5.251 0.085 1
1 62 . 17 1 1 A 8 8 LEU CA C 5 53.391 53.723 -0.332 1
1 63 . 17 1 1 A 8 8 LEU CB C 5 44.716 45.551 -0.835 1
1 67 . 17 1 1 A 8 8 LEU N N 5 122.810 122.521 0.289 1
1 68 . 17 1 1 A 9 9 ASP H H 6 9.145 8.895 0.250 1
1 69 . 17 1 1 A 9 9 ASP HA H 6 5.999 5.463 0.536 1
1 72 . 17 1 1 A 9 9 ASP CA C 6 51.759 52.849 -1.090 1
1 73 . 17 1 1 A 9 9 ASP CB C 6 44.757 45.577 -0.820 1
1 74 . 17 1 1 A 9 9 ASP N N 6 124.570 125.114 -0.544 1
1 75 . 17 1 1 A 10 10 PHE H H 7 9.884 9.195 0.689 1
1 76 . 17 1 1 A 10 10 PHE HA H 7 5.231 5.122 0.109 1
1 83 . 17 1 1 A 10 10 PHE CA C 7 55.321 56.705 -1.384 1
1 84 . 17 1 1 A 10 10 PHE CB C 7 42.863 43.373 -0.510 1
1 88 . 17 1 1 A 10 10 PHE N N 7 123.156 118.937 4.219 1
1 89 . 17 1 1 A 11 11 ASP H H 8 8.986 8.621 0.365 1
1 90 . 17 1 1 A 11 11 ASP HA H 8 4.924 4.947 -0.023 1
1 93 . 17 1 1 A 11 11 ASP CA C 8 55.122 54.720 0.402 1
1 94 . 17 1 1 A 11 11 ASP CB C 8 44.453 42.971 1.482 1
1 95 . 17 1 1 A 11 11 ASP N N 8 123.103 124.360 -1.257 1
1 96 . 17 1 1 A 12 12 GLU H H 9 9.685 9.096 0.589 1
1 97 . 17 1 1 A 12 12 GLU HA H 9 3.984 4.053 -0.069 1
1 102 . 17 1 1 A 12 12 GLU CA C 9 60.974 59.893 1.081 1
1 103 . 17 1 1 A 12 12 GLU CB C 9 31.222 29.472 1.750 1
1 105 . 17 1 1 A 12 12 GLU N N 9 128.730 126.538 2.192 1
1 106 . 17 1 1 A 13 13 ARG H H 10 9.626 8.322 1.304 1
1 107 . 17 1 1 A 13 13 ARG HA H 10 4.063 4.021 0.042 1
1 114 . 17 1 1 A 13 13 ARG CA C 10 59.013 58.859 0.154 1
1 115 . 17 1 1 A 13 13 ARG CB C 10 30.124 30.179 -0.055 1
1 118 . 17 1 1 A 13 13 ARG N N 10 117.930 119.430 -1.500 1
1 119 . 17 1 1 A 14 14 ALA H H 11 7.268 7.804 -0.536 1
1 120 . 17 1 1 A 14 14 ALA HA H 11 5.323 4.602 0.721 1
1 124 . 17 1 1 A 14 14 ALA CA C 11 53.013 55.041 -2.028 1
1 125 . 17 1 1 A 14 14 ALA CB C 11 18.072 18.744 -0.672 1
1 126 . 17 1 1 A 14 14 ALA N N 11 122.063 122.201 -0.138 1
1 127 . 17 1 1 A 15 15 LEU H H 12 8.773 8.157 0.616 1
1 128 . 17 1 1 A 15 15 LEU HA H 12 4.318 3.009 1.309 1
1 138 . 17 1 1 A 15 15 LEU CA C 12 57.404 57.769 -0.365 1
1 139 . 17 1 1 A 15 15 LEU CB C 12 41.842 41.699 0.143 1
1 143 . 17 1 1 A 15 15 LEU N N 12 121.956 118.786 3.170 1
1 144 . 17 1 1 A 16 16 LYS H H 13 7.515 7.633 -0.118 1
1 145 . 17 1 1 A 16 16 LYS HA H 13 4.099 3.842 0.257 1
1 154 . 17 1 1 A 16 16 LYS CA C 13 59.837 59.597 0.240 1
1 155 . 17 1 1 A 16 16 LYS CB C 13 32.297 31.865 0.432 1
1 159 . 17 1 1 A 16 16 LYS N N 13 118.250 116.870 1.380 1
1 160 . 17 1 1 A 17 17 GLU H H 14 7.416 7.889 -0.473 1
1 161 . 17 1 1 A 17 17 GLU HA H 14 3.959 4.047 -0.088 1
1 166 . 17 1 1 A 17 17 GLU CA C 14 59.458 59.215 0.243 1
1 167 . 17 1 1 A 17 17 GLU CB C 14 29.644 29.382 0.262 1
1 169 . 17 1 1 A 17 17 GLU N N 14 118.330 119.602 -1.272 1
1 170 . 17 1 1 A 18 18 TRP H H 15 9.095 7.957 1.138 1
1 171 . 17 1 1 A 18 18 TRP HA H 15 4.013 4.520 -0.507 1
1 178 . 17 1 1 A 18 18 TRP CA C 15 60.476 59.796 0.680 1
1 179 . 17 1 1 A 18 18 TRP CB C 15 29.644 27.975 1.669 1
1 182 . 17 1 1 A 18 18 TRP N N 15 121.770 118.243 3.527 1
1 183 . 17 1 1 A 19 19 ARG H H 16 8.060 7.235 0.825 1
1 184 . 17 1 1 A 19 19 ARG HA H 16 4.030 4.196 -0.166 1
1 191 . 17 1 1 A 19 19 ARG CA C 16 57.993 57.953 0.040 1
1 192 . 17 1 1 A 19 19 ARG CB C 16 29.948 30.432 -0.484 1
1 195 . 17 1 1 A 19 19 ARG N N 16 113.396 120.958 -7.562 1
1 196 . 17 1 1 A 20 20 LYS H H 17 7.274 7.648 -0.374 1
1 197 . 17 1 1 A 20 20 LYS HA H 17 4.311 4.368 -0.057 1
1 206 . 17 1 1 A 20 20 LYS CA C 17 57.183 57.471 -0.288 1
1 207 . 17 1 1 A 20 20 LYS CB C 17 32.106 32.711 -0.605 1
1 211 . 17 1 1 A 20 20 LYS N N 17 116.232 114.812 1.420 1
1 212 . 17 1 1 A 21 21 LEU H H 18 7.359 7.270 0.089 1
1 213 . 17 1 1 A 21 21 LEU HA H 18 4.074 4.795 -0.721 1
1 223 . 17 1 1 A 21 21 LEU CA C 18 54.367 53.047 1.320 1
1 224 . 17 1 1 A 21 21 LEU CB C 18 43.185 44.585 -1.400 1
1 228 . 17 1 1 A 21 21 LEU N N 18 119.903 117.135 2.768 1
1 229 . 17 1 1 A 22 22 GLY H H 19 8.455 8.287 0.168 1
1 230 . 17 1 1 A 22 22 GLY HA2 H 19 4.103 3.981 0.122 1
1 231 . 17 1 1 A 22 22 GLY HA3 H 19 3.888 4.048 -0.160 1
1 232 . 17 1 1 A 22 22 GLY CA C 19 44.739 45.633 -0.894 1
1 233 . 17 1 1 A 22 22 GLY N N 19 108.063 107.210 0.853 1
1 234 . 17 1 1 A 23 23 SER H H 20 8.711 8.848 -0.137 1
1 235 . 17 1 1 A 23 23 SER HA H 20 4.422 4.131 0.291 1
1 238 . 17 1 1 A 23 23 SER CA C 20 58.325 62.702 -4.377 1
1 239 . 17 1 1 A 23 23 SER CB C 20 63.754 62.914 0.840 1
1 240 . 17 1 1 A 23 23 SER N N 20 117.509 118.547 -1.038 1
1 241 . 17 1 1 A 24 24 THR H H 21 8.273 7.767 0.506 1
1 242 . 17 1 1 A 24 24 THR HA H 21 4.026 4.365 -0.339 1
1 247 . 17 1 1 A 24 24 THR CA C 21 65.605 66.487 -0.882 1
1 248 . 17 1 1 A 24 24 THR CB C 21 68.013 68.172 -0.159 1
1 250 . 17 1 1 A 24 24 THR N N 21 116.047 118.243 -2.196 1
1 251 . 17 1 1 A 25 25 VAL H H 22 7.075 7.568 -0.493 1
1 252 . 17 1 1 A 25 25 VAL HA H 22 3.507 3.461 0.046 1
1 260 . 17 1 1 A 25 25 VAL CA C 22 65.475 66.700 -1.225 1
1 261 . 17 1 1 A 25 25 VAL CB C 22 31.319 31.358 -0.039 1
1 264 . 17 1 1 A 25 25 VAL N N 22 122.543 121.864 0.679 1
1 265 . 17 1 1 A 26 26 ARG H H 23 7.781 7.946 -0.165 1
1 266 . 17 1 1 A 26 26 ARG HA H 23 3.116 3.994 -0.878 1
1 273 . 17 1 1 A 26 26 ARG CA C 23 60.215 58.653 1.562 1
1 274 . 17 1 1 A 26 26 ARG CB C 23 30.555 29.977 0.578 1
1 277 . 17 1 1 A 26 26 ARG N N 23 118.490 120.076 -1.586 1
1 278 . 17 1 1 A 27 27 GLU H H 24 8.107 8.236 -0.129 1
1 279 . 17 1 1 A 27 27 GLU HA H 24 4.031 4.059 -0.028 1
1 284 . 17 1 1 A 27 27 GLU CA C 24 59.421 58.958 0.463 1
1 285 . 17 1 1 A 27 27 GLU CB C 24 29.126 29.372 -0.246 1
1 287 . 17 1 1 A 27 27 GLU N N 24 116.756 118.786 -2.030 1
1 288 . 17 1 1 A 28 28 GLN H H 25 7.760 7.610 0.150 1
1 289 . 17 1 1 A 28 28 GLN HA H 25 4.097 4.016 0.081 1
1 296 . 17 1 1 A 28 28 GLN CA C 25 59.055 58.749 0.306 1
1 297 . 17 1 1 A 28 28 GLN CB C 25 29.925 28.103 1.822 1
1 299 . 17 1 1 A 28 28 GLN N N 25 118.410 118.872 -0.462 1
1 301 . 17 1 1 A 29 29 LEU H H 26 8.631 8.316 0.315 1
1 302 . 17 1 1 A 29 29 LEU HA H 26 4.145 3.975 0.170 1
1 312 . 17 1 1 A 29 29 LEU CA C 26 57.929 58.002 -0.073 1
1 313 . 17 1 1 A 29 29 LEU CB C 26 42.787 41.669 1.118 1
1 317 . 17 1 1 A 29 29 LEU N N 26 119.716 120.488 -0.772 1
1 318 . 17 1 1 A 30 30 LYS H H 27 9.183 7.827 1.356 1
1 319 . 17 1 1 A 30 30 LYS HA H 27 3.981 4.031 -0.050 1
1 328 . 17 1 1 A 30 30 LYS CA C 27 61.364 59.394 1.970 1
1 329 . 17 1 1 A 30 30 LYS CB C 27 32.137 31.769 0.368 1
1 333 . 17 1 1 A 30 30 LYS N N 27 120.836 118.361 2.475 1
1 334 . 17 1 1 A 31 31 LYS H H 28 7.580 7.307 0.273 1
1 335 . 17 1 1 A 31 31 LYS HA H 28 4.050 4.089 -0.039 1
1 344 . 17 1 1 A 31 31 LYS CA C 28 59.586 59.635 -0.049 1
1 345 . 17 1 1 A 31 31 LYS CB C 28 32.373 31.979 0.394 1
1 349 . 17 1 1 A 31 31 LYS N N 28 116.783 119.619 -2.836 1
1 350 . 17 1 1 A 32 32 LYS H H 29 7.300 7.431 -0.131 1
1 351 . 17 1 1 A 32 32 LYS HA H 29 4.090 4.097 -0.007 1
1 360 . 17 1 1 A 32 32 LYS CA C 29 57.130 58.652 -1.522 1
1 361 . 17 1 1 A 32 32 LYS N N 29 116.383 118.850 -2.467 1
1 362 . 17 1 1 A 33 33 LEU H H 30 8.722 7.957 0.765 1
1 363 . 17 1 1 A 33 33 LEU HA H 30 3.881 4.004 -0.123 1
1 373 . 17 1 1 A 33 33 LEU CA C 30 57.634 57.427 0.207 1
1 374 . 17 1 1 A 33 33 LEU CB C 30 42.116 41.548 0.568 1
1 378 . 17 1 1 A 33 33 LEU N N 30 121.770 120.058 1.712 1
1 379 . 17 1 1 A 34 34 VAL H H 31 8.067 7.917 0.150 1
1 380 . 17 1 1 A 34 34 VAL HA H 31 3.479 3.828 -0.349 1
1 388 . 17 1 1 A 34 34 VAL CA C 31 66.847 64.628 2.219 1
1 389 . 17 1 1 A 34 34 VAL CB C 31 31.860 31.521 0.339 1
1 392 . 17 1 1 A 34 34 VAL N N 31 118.116 119.020 -0.904 1
1 393 . 17 1 1 A 35 35 GLU H H 32 6.825 7.735 -0.910 1
1 394 . 17 1 1 A 35 35 GLU HA H 32 4.090 4.171 -0.081 1
1 399 . 17 1 1 A 35 35 GLU CA C 32 58.624 58.527 0.097 1
1 400 . 17 1 1 A 35 35 GLU CB C 32 29.746 29.805 -0.059 1
1 402 . 17 1 1 A 35 35 GLU N N 32 116.570 119.960 -3.390 1
1 403 . 17 1 1 A 36 36 VAL H H 33 7.785 7.521 0.264 1
1 404 . 17 1 1 A 36 36 VAL HA H 33 3.484 3.737 -0.253 1
1 412 . 17 1 1 A 36 36 VAL CA C 33 65.213 64.930 0.283 1
1 413 . 17 1 1 A 36 36 VAL CB C 33 31.932 31.276 0.656 1
1 416 . 17 1 1 A 36 36 VAL N N 33 120.618 120.565 0.053 1
1 417 . 17 1 1 A 37 37 LEU H H 34 7.956 7.774 0.182 1
1 418 . 17 1 1 A 37 37 LEU HA H 34 3.747 4.162 -0.415 1
1 428 . 17 1 1 A 37 37 LEU CA C 34 57.069 56.325 0.744 1
1 429 . 17 1 1 A 37 37 LEU CB C 34 40.916 41.617 -0.701 1
1 433 . 17 1 1 A 37 37 LEU N N 34 115.476 121.285 -5.809 1
1 434 . 17 1 1 A 38 38 GLU H H 35 7.042 7.906 -0.864 1
1 435 . 17 1 1 A 38 38 GLU HA H 35 4.395 4.616 -0.221 1
1 440 . 17 1 1 A 38 38 GLU CA C 35 57.553 57.811 -0.258 1
1 441 . 17 1 1 A 38 38 GLU CB C 35 30.234 31.709 -1.475 1
1 443 . 17 1 1 A 38 38 GLU N N 35 114.356 119.352 -4.996 1
1 444 . 17 1 1 A 39 39 SER H H 36 7.125 7.796 -0.671 1
1 445 . 17 1 1 A 39 39 SER HA H 36 4.593 4.984 -0.391 1
1 448 . 17 1 1 A 39 39 SER CA C 36 55.308 55.356 -0.048 1
1 449 . 17 1 1 A 39 39 SER CB C 36 62.305 63.310 -1.005 1
1 450 . 17 1 1 A 39 39 SER N N 36 109.796 113.684 -3.888 1
1 451 . 17 1 1 A 40 40 PRO HA H 37 4.360 4.465 -0.105 1
1 458 . 17 1 1 A 40 40 PRO CA C 37 64.802 63.723 1.079 1
1 459 . 17 1 1 A 40 40 PRO CB C 37 32.562 32.725 -0.163 1
1 462 . 17 1 1 A 41 41 ARG H H 38 8.356 8.087 0.269 1
1 463 . 17 1 1 A 41 41 ARG HA H 38 3.271 3.985 -0.714 1
1 470 . 17 1 1 A 41 41 ARG CA C 38 56.364 54.824 1.540 1
1 471 . 17 1 1 A 41 41 ARG CB C 38 29.580 29.767 -0.187 1
1 474 . 17 1 1 A 41 41 ARG N N 38 120.882 120.399 0.483 1
1 475 . 17 1 1 A 42 42 ILE H H 39 5.973 7.238 -1.265 1
1 476 . 17 1 1 A 42 42 ILE HA H 39 4.216 4.239 -0.023 1
1 486 . 17 1 1 A 42 42 ILE CA C 39 60.301 60.515 -0.214 1
1 487 . 17 1 1 A 42 42 ILE CB C 39 38.705 38.089 0.616 1
1 491 . 17 1 1 A 42 42 ILE N N 39 127.866 125.400 2.466 1
1 492 . 17 1 1 A 43 43 GLU H H 40 8.860 8.822 0.038 1
1 493 . 17 1 1 A 43 43 GLU HA H 40 4.218 4.187 0.031 1
1 498 . 17 1 1 A 43 43 GLU CA C 40 59.945 58.701 1.244 1
1 499 . 17 1 1 A 43 43 GLU CB C 40 29.040 29.057 -0.017 1
1 501 . 17 1 1 A 43 43 GLU N N 40 129.498 127.602 1.896 1
1 502 . 17 1 1 A 44 44 ALA H H 41 8.827 7.600 1.227 1
1 503 . 17 1 1 A 44 44 ALA HA H 41 4.241 4.170 0.071 1
1 507 . 17 1 1 A 44 44 ALA CA C 41 54.035 53.721 0.314 1
1 508 . 17 1 1 A 44 44 ALA CB C 41 18.466 18.398 0.068 1
1 509 . 17 1 1 A 44 44 ALA N N 41 119.919 121.794 -1.875 1
1 510 . 17 1 1 A 45 45 ASN H H 42 8.184 8.132 0.052 1
1 511 . 17 1 1 A 45 45 ASN HA H 42 5.082 4.864 0.218 1
1 516 . 17 1 1 A 45 45 ASN CA C 42 51.401 53.157 -1.756 1
1 517 . 17 1 1 A 45 45 ASN CB C 42 38.684 39.415 -0.731 1
1 518 . 17 1 1 A 45 45 ASN N N 42 114.675 114.659 0.016 1
1 520 . 17 1 1 A 46 46 LYS H H 43 7.515 7.445 0.070 1
1 521 . 17 1 1 A 46 46 LYS HA H 43 3.741 4.411 -0.670 1
1 530 . 17 1 1 A 46 46 LYS CA C 43 57.354 56.623 0.731 1
1 531 . 17 1 1 A 46 46 LYS CB C 43 32.905 32.788 0.117 1
1 535 . 17 1 1 A 46 46 LYS N N 43 122.167 119.474 2.693 1
1 536 . 17 1 1 A 47 47 LEU H H 44 8.184 7.828 0.356 1
1 537 . 17 1 1 A 47 47 LEU HA H 44 4.297 4.436 -0.139 1
1 547 . 17 1 1 A 47 47 LEU CA C 44 53.422 54.963 -1.541 1
1 548 . 17 1 1 A 47 47 LEU CB C 44 42.208 43.043 -0.835 1
1 552 . 17 1 1 A 47 47 LEU N N 44 127.544 125.078 2.466 1
1 553 . 17 1 1 A 48 48 ARG H H 45 8.706 8.605 0.101 1
1 554 . 17 1 1 A 48 48 ARG HA H 45 3.918 4.311 -0.393 1
1 561 . 17 1 1 A 48 48 ARG CA C 45 57.765 56.298 1.467 1
1 562 . 17 1 1 A 48 48 ARG CB C 45 29.686 29.572 0.114 1
1 565 . 17 1 1 A 48 48 ARG N N 45 128.641 125.906 2.735 1
1 566 . 17 1 1 A 49 49 GLY H H 46 8.543 8.545 -0.002 1
1 567 . 17 1 1 A 49 49 GLY HA2 H 46 4.129 4.000 0.129 1
1 568 . 17 1 1 A 49 49 GLY HA3 H 46 3.662 4.001 -0.339 1
1 569 . 17 1 1 A 49 49 GLY CA C 46 44.981 44.850 0.131 1
1 570 . 17 1 1 A 49 49 GLY N N 46 110.474 112.760 -2.286 1
1 571 . 17 1 1 A 50 50 MET H H 47 7.404 7.683 -0.279 1
1 572 . 17 1 1 A 50 50 MET HA H 47 5.226 4.835 0.391 1
1 580 . 17 1 1 A 50 50 MET CA C 47 50.824 52.384 -1.560 1
1 581 . 17 1 1 A 50 50 MET CB C 47 33.186 33.420 -0.234 1
1 584 . 17 1 1 A 50 50 MET N N 47 118.742 120.303 -1.561 1
1 585 . 17 1 1 A 51 51 PRO HA H 48 4.344 4.249 0.095 1
1 592 . 17 1 1 A 51 51 PRO CA C 48 63.591 64.699 -1.108 1
1 593 . 17 1 1 A 51 51 PRO CB C 48 31.942 32.040 -0.098 1
1 596 . 17 1 1 A 52 52 ASP H H 49 8.703 8.329 0.374 1
1 597 . 17 1 1 A 52 52 ASP HA H 49 4.392 4.595 -0.203 1
1 600 . 17 1 1 A 52 52 ASP CA C 49 56.244 54.075 2.169 1
1 601 . 17 1 1 A 52 52 ASP N N 49 116.361 116.156 0.205 1
1 602 . 17 1 1 A 53 53 CYS H H 50 7.456 7.149 0.307 1
1 603 . 17 1 1 A 53 53 CYS HA H 50 5.799 4.889 0.910 1
1 606 . 17 1 1 A 53 53 CYS CA C 50 58.147 57.300 0.847 1
1 607 . 17 1 1 A 53 53 CYS CB C 50 30.953 29.151 1.802 1
1 608 . 17 1 1 A 53 53 CYS N N 50 114.086 118.922 -4.836 1
1 609 . 17 1 1 A 54 54 TYR H H 51 8.939 8.443 0.496 1
1 610 . 17 1 1 A 54 54 TYR HA H 51 4.662 5.131 -0.469 1
1 617 . 17 1 1 A 54 54 TYR CA C 51 56.444 56.155 0.289 1
1 618 . 17 1 1 A 54 54 TYR CB C 51 43.000 43.190 -0.190 1
1 620 . 17 1 1 A 54 54 TYR N N 51 120.722 120.370 0.352 1
1 621 . 17 1 1 A 55 55 LYS H H 52 8.665 8.832 -0.167 1
1 622 . 17 1 1 A 55 55 LYS HA H 52 5.456 5.097 0.359 1
1 631 . 17 1 1 A 55 55 LYS CA C 52 53.968 54.500 -0.532 1
1 632 . 17 1 1 A 55 55 LYS CB C 52 36.126 35.786 0.340 1
1 636 . 17 1 1 A 55 55 LYS N N 52 117.297 118.512 -1.215 1
1 637 . 17 1 1 A 56 56 ILE H H 53 9.272 9.125 0.147 1
1 638 . 17 1 1 A 56 56 ILE HA H 53 4.428 5.037 -0.609 1
1 648 . 17 1 1 A 56 56 ILE CA C 53 60.803 59.670 1.133 1
1 649 . 17 1 1 A 56 56 ILE CB C 53 40.849 42.085 -1.236 1
1 653 . 17 1 1 A 56 56 ILE N N 53 122.006 123.338 -1.332 1
1 654 . 17 1 1 A 57 57 LYS H H 54 8.745 8.937 -0.192 1
1 655 . 17 1 1 A 57 57 LYS HA H 54 5.093 5.103 -0.010 1
1 664 . 17 1 1 A 57 57 LYS CA C 54 54.227 54.394 -0.167 1
1 665 . 17 1 1 A 57 57 LYS CB C 54 35.595 36.317 -0.722 1
1 669 . 17 1 1 A 57 57 LYS N N 54 125.752 122.659 3.093 1
1 670 . 17 1 1 A 58 58 LEU H H 55 8.543 8.890 -0.347 1
1 671 . 17 1 1 A 58 58 LEU HA H 55 4.788 4.776 0.012 1
1 681 . 17 1 1 A 58 58 LEU CA C 55 53.151 53.640 -0.489 1
1 682 . 17 1 1 A 58 58 LEU CB C 55 41.238 43.450 -2.212 1
1 686 . 17 1 1 A 58 58 LEU N N 55 124.173 122.218 1.955 1
1 687 . 17 1 1 A 59 59 ARG HA H 56 4.039 4.522 -0.483 1
1 694 . 17 1 1 A 59 59 ARG CA C 56 59.531 56.959 2.572 1
1 695 . 17 1 1 A 59 59 ARG CB C 56 32.180 31.013 1.167 1
1 698 . 17 1 1 A 60 60 SER HA H 57 4.335 4.303 0.032 1
1 701 . 17 1 1 A 60 60 SER CA C 57 60.035 60.921 -0.886 1
1 702 . 17 1 1 A 60 60 SER CB C 57 62.551 63.242 -0.691 1
1 703 . 17 1 1 A 61 61 SER H H 58 7.605 8.094 -0.489 1
1 704 . 17 1 1 A 61 61 SER HA H 58 4.604 4.528 0.076 1
1 707 . 17 1 1 A 61 61 SER CA C 58 58.122 59.721 -1.599 1
1 708 . 17 1 1 A 61 61 SER CB C 58 64.520 64.899 -0.379 1
1 709 . 17 1 1 A 61 61 SER N N 58 112.447 113.802 -1.355 1
1 710 . 17 1 1 A 62 62 GLY H H 59 8.214 8.434 -0.220 1
1 711 . 17 1 1 A 62 62 GLY HA2 H 59 4.091 3.975 0.116 1
1 712 . 17 1 1 A 62 62 GLY HA3 H 59 3.824 3.992 -0.168 1
1 713 . 17 1 1 A 62 62 GLY CA C 59 45.562 46.155 -0.593 1
1 714 . 17 1 1 A 62 62 GLY N N 59 108.976 111.604 -2.628 1
1 715 . 17 1 1 A 63 63 TYR H H 60 7.283 8.125 -0.842 1
1 716 . 17 1 1 A 63 63 TYR HA H 60 4.619 4.650 -0.031 1
1 723 . 17 1 1 A 63 63 TYR CA C 60 60.412 58.069 2.343 1
1 724 . 17 1 1 A 63 63 TYR CB C 60 40.339 40.641 -0.302 1
1 727 . 17 1 1 A 63 63 TYR N N 60 117.859 119.055 -1.196 1
1 728 . 17 1 1 A 64 64 ARG H H 61 9.296 9.079 0.217 1
1 729 . 17 1 1 A 64 64 ARG HA H 61 5.634 5.195 0.439 1
1 736 . 17 1 1 A 64 64 ARG CA C 61 54.114 54.718 -0.604 1
1 737 . 17 1 1 A 64 64 ARG CB C 61 33.245 34.520 -1.275 1
1 740 . 17 1 1 A 64 64 ARG N N 61 117.912 118.805 -0.893 1
1 741 . 17 1 1 A 65 65 LEU H H 62 9.077 8.799 0.278 1
1 742 . 17 1 1 A 65 65 LEU HA H 62 5.459 4.968 0.491 1
1 752 . 17 1 1 A 65 65 LEU CA C 62 54.114 54.703 -0.589 1
1 753 . 17 1 1 A 65 65 LEU CB C 62 46.977 46.113 0.864 1
1 757 . 17 1 1 A 65 65 LEU N N 62 123.590 121.810 1.780 1
1 758 . 17 1 1 A 66 66 VAL H H 63 8.729 8.810 -0.081 1
1 759 . 17 1 1 A 66 66 VAL HA H 63 5.206 5.075 0.131 1
1 767 . 17 1 1 A 66 66 VAL CA C 63 60.112 60.803 -0.691 1
1 768 . 17 1 1 A 66 66 VAL CB C 63 34.296 34.101 0.195 1
1 771 . 17 1 1 A 66 66 VAL N N 63 123.237 125.652 -2.415 1
1 772 . 17 1 1 A 67 67 TYR H H 64 8.976 8.827 0.149 1
1 773 . 17 1 1 A 67 67 TYR HA H 64 5.745 5.355 0.390 1
1 780 . 17 1 1 A 67 67 TYR CA C 64 53.968 55.325 -1.357 1
1 781 . 17 1 1 A 67 67 TYR CB C 64 42.534 42.103 0.431 1
1 784 . 17 1 1 A 67 67 TYR N N 64 124.227 123.692 0.535 1
1 785 . 17 1 1 A 68 68 GLN H H 65 9.696 8.807 0.889 1
1 786 . 17 1 1 A 68 68 GLN HA H 65 5.640 5.206 0.434 1
1 793 . 17 1 1 A 68 68 GLN CA C 65 52.933 54.288 -1.355 1
1 794 . 17 1 1 A 68 68 GLN CB C 65 33.585 32.616 0.969 1
1 796 . 17 1 1 A 68 68 GLN N N 65 122.541 120.088 2.453 1
1 798 . 17 1 1 A 69 69 VAL H H 66 9.050 9.209 -0.159 1
1 799 . 17 1 1 A 69 69 VAL HA H 66 4.513 4.565 -0.052 1
1 807 . 17 1 1 A 69 69 VAL CA C 66 62.534 62.501 0.033 1
1 808 . 17 1 1 A 69 69 VAL CB C 66 33.052 32.192 0.860 1
1 811 . 17 1 1 A 69 69 VAL N N 66 127.437 127.205 0.232 1
1 812 . 17 1 1 A 70 70 ILE H H 67 9.385 8.974 0.411 1
1 813 . 17 1 1 A 70 70 ILE HA H 67 4.475 4.574 -0.099 1
1 823 . 17 1 1 A 70 70 ILE CA C 67 59.863 60.276 -0.413 1
1 824 . 17 1 1 A 70 70 ILE CB C 67 37.487 39.117 -1.630 1
1 828 . 17 1 1 A 70 70 ILE N N 67 129.296 127.516 1.780 1
1 829 . 17 1 1 A 71 71 ASP H H 68 9.343 9.126 0.217 1
1 830 . 17 1 1 A 71 71 ASP HA H 68 4.595 4.436 0.159 1
1 833 . 17 1 1 A 71 71 ASP CA C 68 58.841 57.541 1.300 1
1 834 . 17 1 1 A 71 71 ASP CB C 68 40.637 40.660 -0.023 1
1 835 . 17 1 1 A 71 71 ASP N N 68 128.749 127.653 1.096 1
1 836 . 17 1 1 A 72 72 GLU H H 69 9.718 9.019 0.699 1
1 837 . 17 1 1 A 72 72 GLU HA H 69 4.124 4.096 0.028 1
1 842 . 17 1 1 A 72 72 GLU CA C 69 59.335 58.972 0.363 1
1 843 . 17 1 1 A 72 72 GLU CB C 69 29.131 29.003 0.128 1
1 845 . 17 1 1 A 72 72 GLU N N 69 118.929 117.680 1.249 1
1 846 . 17 1 1 A 73 73 LYS H H 70 6.653 7.753 -1.100 1
1 847 . 17 1 1 A 73 73 LYS HA H 70 4.517 4.437 0.080 1
1 856 . 17 1 1 A 73 73 LYS CA C 70 54.587 55.806 -1.219 1
1 857 . 17 1 1 A 73 73 LYS CB C 70 33.843 33.524 0.319 1
1 861 . 17 1 1 A 73 73 LYS N N 70 114.113 117.880 -3.767 1
1 862 . 17 1 1 A 74 74 VAL H H 71 7.832 7.917 -0.085 1
1 863 . 17 1 1 A 74 74 VAL HA H 71 3.012 3.878 -0.866 1
1 871 . 17 1 1 A 74 74 VAL CA C 71 63.090 63.261 -0.171 1
1 872 . 17 1 1 A 74 74 VAL CB C 71 29.226 29.670 -0.444 1
1 875 . 17 1 1 A 74 74 VAL N N 71 119.223 116.627 2.596 1
1 876 . 17 1 1 A 75 75 VAL H H 72 7.732 7.992 -0.260 1
1 877 . 17 1 1 A 75 75 VAL HA H 72 4.950 5.030 -0.080 1
1 885 . 17 1 1 A 75 75 VAL CA C 72 60.455 60.537 -0.082 1
1 886 . 17 1 1 A 75 75 VAL CB C 72 37.925 35.294 2.631 1
1 889 . 17 1 1 A 75 75 VAL N N 72 117.190 120.427 -3.237 1
1 890 . 17 1 1 A 76 76 VAL H H 73 9.026 8.792 0.234 1
1 891 . 17 1 1 A 76 76 VAL HA H 73 4.349 4.692 -0.343 1
1 899 . 17 1 1 A 76 76 VAL CA C 73 62.527 61.790 0.737 1
1 900 . 17 1 1 A 76 76 VAL CB C 73 32.882 31.447 1.435 1
1 903 . 17 1 1 A 76 76 VAL N N 73 128.347 126.572 1.775 1
1 904 . 17 1 1 A 77 77 PHE H H 74 9.629 9.177 0.452 1
1 905 . 17 1 1 A 77 77 PHE HA H 74 5.898 4.877 1.021 1
1 913 . 17 1 1 A 77 77 PHE CA C 74 51.863 56.116 -4.253 1
1 914 . 17 1 1 A 77 77 PHE CB C 74 40.214 39.762 0.452 1
1 918 . 17 1 1 A 77 77 PHE N N 74 128.802 129.074 -0.272 1
1 919 . 17 1 1 A 78 78 VAL H H 75 9.535 8.685 0.850 1
1 920 . 17 1 1 A 78 78 VAL HA H 75 3.712 3.819 -0.107 1
1 928 . 17 1 1 A 78 78 VAL CA C 75 63.939 63.411 0.528 1
1 929 . 17 1 1 A 78 78 VAL CB C 75 31.079 30.870 0.209 1
1 932 . 17 1 1 A 78 78 VAL N N 75 128.588 127.343 1.245 1
1 933 . 17 1 1 A 79 79 ILE H H 76 8.515 8.597 -0.082 1
1 934 . 17 1 1 A 79 79 ILE HA H 76 3.443 3.599 -0.156 1
1 944 . 17 1 1 A 79 79 ILE CA C 76 61.950 62.824 -0.874 1
1 945 . 17 1 1 A 79 79 ILE CB C 76 40.800 38.446 2.354 1
1 949 . 17 1 1 A 79 79 ILE N N 76 126.287 128.992 -2.705 1
1 950 . 17 1 1 A 80 80 SER H H 77 7.180 7.498 -0.318 1
1 951 . 17 1 1 A 80 80 SER HA H 77 4.506 5.083 -0.577 1
1 954 . 17 1 1 A 80 80 SER CA C 77 57.464 57.223 0.241 1
1 955 . 17 1 1 A 80 80 SER CB C 77 64.912 65.404 -0.492 1
1 956 . 17 1 1 A 80 80 SER N N 77 111.625 112.988 -1.363 1
1 957 . 17 1 1 A 81 81 VAL H H 78 8.641 8.775 -0.134 1
1 958 . 17 1 1 A 81 81 VAL HA H 78 5.066 5.115 -0.049 1
1 966 . 17 1 1 A 81 81 VAL CA C 78 60.913 60.848 0.065 1
1 967 . 17 1 1 A 81 81 VAL CB C 78 35.010 35.222 -0.212 1
1 970 . 17 1 1 A 81 81 VAL N N 78 126.742 122.900 3.842 1
1 971 . 17 1 1 A 82 82 GLY H H 79 8.658 8.368 0.290 1
1 972 . 17 1 1 A 82 82 GLY HA2 H 79 4.370 4.287 0.083 1
1 973 . 17 1 1 A 82 82 GLY HA3 H 79 4.160 4.439 -0.279 1
1 974 . 17 1 1 A 82 82 GLY CA C 79 46.036 44.821 1.215 1
1 975 . 17 1 1 A 82 82 GLY N N 79 111.223 111.651 -0.428 1
1 976 . 17 1 1 A 83 83 LYS H H 80 8.569 8.228 0.341 1
1 977 . 17 1 1 A 83 83 LYS HA H 80 4.369 4.904 -0.535 1
1 986 . 17 1 1 A 83 83 LYS CA C 80 54.855 54.564 0.291 1
1 987 . 17 1 1 A 83 83 LYS CB C 80 34.866 34.357 0.509 1
1 991 . 17 1 1 A 83 83 LYS N N 80 121.257 122.036 -0.779 1
1 992 . 17 1 1 A 84 84 ALA H H 81 8.334 8.927 -0.593 1
1 993 . 17 1 1 A 84 84 ALA HA H 81 4.274 4.436 -0.162 1
1 997 . 17 1 1 A 84 84 ALA CA C 81 52.003 51.378 0.625 1
1 998 . 17 1 1 A 84 84 ALA CB C 81 19.185 20.853 -1.668 1
1 999 . 17 1 1 A 84 84 ALA N N 81 126.662 128.786 -2.124 1
1 1000 . 17 1 1 A 85 85 GLU H H 82 8.638 8.515 0.123 1
1 1001 . 17 1 1 A 85 85 GLU HA H 82 4.214 4.619 -0.405 1
1 1006 . 17 1 1 A 85 85 GLU CA C 82 56.366 55.923 0.443 1
1 1007 . 17 1 1 A 85 85 GLU CB C 82 30.238 31.325 -1.087 1
1 1009 . 17 1 1 A 85 85 GLU N N 82 121.819 120.498 1.321 1
1 1010 . 17 1 1 A 86 86 ALA H H 83 8.462 8.299 0.163 1
1 1011 . 17 1 1 A 86 86 ALA HA H 83 4.341 4.553 -0.212 1
1 1015 . 17 1 1 A 86 86 ALA CA C 83 52.156 52.737 -0.581 1
1 1016 . 17 1 1 A 86 86 ALA CB C 83 19.206 21.447 -2.241 1
1 1017 . 17 1 1 A 86 86 ALA N N 83 125.350 128.934 -3.584 1
1 1018 . 17 1 1 A 87 87 SER H H 84 8.309 8.524 -0.215 1
1 1019 . 17 1 1 A 87 87 SER HA H 84 4.400 4.443 -0.043 1
1 1022 . 17 1 1 A 87 87 SER CA C 84 58.058 60.688 -2.630 1
1 1023 . 17 1 1 A 87 87 SER CB C 84 63.845 64.216 -0.371 1
1 1024 . 17 1 1 A 87 87 SER N N 84 115.397 112.806 2.591 1
1 1025 . 17 1 1 A 88 88 GLU H H 85 8.443 8.059 0.384 1
1 1026 . 17 1 1 A 88 88 GLU HA H 85 4.318 3.905 0.413 1
1 1031 . 17 1 1 A 88 88 GLU CA C 85 56.465 58.592 -2.127 1
1 1032 . 17 1 1 A 88 88 GLU CB C 85 30.464 29.223 1.241 1
1 1034 . 17 1 1 A 88 88 GLU N N 85 122.947 121.534 1.413 1
1 1035 . 17 1 1 A 89 89 VAL H H 86 8.098 7.820 0.278 1
1 1036 . 17 1 1 A 89 89 VAL HA H 86 4.044 3.724 0.320 1
1 1044 . 17 1 1 A 89 89 VAL CA C 86 62.293 64.947 -2.654 1
1 1045 . 17 1 1 A 89 89 VAL CB C 86 32.703 31.392 1.311 1
1 1048 . 17 1 1 A 89 89 VAL N N 86 120.884 120.174 0.710 1
1 1049 . 17 1 1 A 90 90 TYR H H 87 8.313 7.751 0.562 1
1 1050 . 17 1 1 A 90 90 TYR HA H 87 4.623 4.572 0.051 1
1 1057 . 17 1 1 A 90 90 TYR CA C 87 57.791 58.464 -0.673 1
1 1058 . 17 1 1 A 90 90 TYR CB C 87 38.795 37.229 1.566 1
1 1061 . 17 1 1 A 90 90 TYR N N 87 124.634 120.455 4.179 1
1 1062 . 17 1 1 A 91 91 SER H H 88 8.140 7.557 0.583 1
1 1063 . 17 1 1 A 91 91 SER HA H 88 4.411 4.653 -0.242 1
1 1066 . 17 1 1 A 91 91 SER CA C 88 58.396 60.881 -2.485 1
1 1067 . 17 1 1 A 91 91 SER CB C 88 63.703 63.493 0.210 1
1 1068 . 17 1 1 A 91 91 SER N N 88 118.447 118.027 0.420 1
1 1069 . 17 1 1 A 92 92 GLU H H 89 8.400 7.578 0.822 1
1 1070 . 17 1 1 A 92 92 GLU HA H 89 4.245 4.433 -0.188 1
1 1075 . 17 1 1 A 92 92 GLU CA C 89 56.465 58.029 -1.564 1
1 1076 . 17 1 1 A 92 92 GLU CB C 89 29.471 30.822 -1.351 1
1 1078 . 17 1 1 A 92 92 GLU N N 89 122.947 118.681 4.266 1
1 1079 . 17 1 1 A 93 93 ALA H H 90 8.224 8.047 0.177 1
1 1080 . 17 1 1 A 93 93 ALA HA H 90 4.287 4.401 -0.114 1
1 1084 . 17 1 1 A 93 93 ALA CA C 90 52.598 51.590 1.008 1
1 1085 . 17 1 1 A 93 93 ALA CB C 90 18.864 17.782 1.082 1
1 1086 . 17 1 1 A 93 93 ALA N N 90 124.404 121.954 2.450 1
1 1087 . 17 1 1 A 94 94 VAL H H 91 7.971 8.022 -0.051 1
1 1088 . 17 1 1 A 94 94 VAL HA H 91 4.060 4.313 -0.253 1
1 1096 . 17 1 1 A 94 94 VAL CA C 91 62.072 61.903 0.169 1
1 1097 . 17 1 1 A 94 94 VAL CB C 91 32.601 32.917 -0.316 1
1 1100 . 17 1 1 A 94 94 VAL N N 91 119.330 119.071 0.259 1
1 1101 . 17 1 1 A 95 95 LYS H H 92 8.271 8.851 -0.580 1
1 1102 . 17 1 1 A 95 95 LYS HA H 92 4.313 4.061 0.252 1
1 1111 . 17 1 1 A 95 95 LYS CA C 92 56.078 58.529 -2.451 1
1 1112 . 17 1 1 A 95 95 LYS CB C 92 32.924 32.008 0.916 1
1 1116 . 17 1 1 A 95 95 LYS N N 92 124.941 121.416 3.525 1
1 1117 . 17 1 1 A 96 96 ARG H H 93 8.317 8.079 0.238 1
1 1118 . 17 1 1 A 96 96 ARG HA H 93 4.360 4.459 -0.099 1
1 1125 . 17 1 1 A 96 96 ARG CA C 93 55.901 57.060 -1.159 1
1 1126 . 17 1 1 A 96 96 ARG CB C 93 30.906 32.728 -1.822 1
1 1129 . 17 1 1 A 96 96 ARG N N 93 122.918 117.664 5.254 1
1 1130 . 17 1 1 A 97 97 ILE H H 94 8.251 7.700 0.551 1
1 1131 . 17 1 1 A 97 97 ILE HA H 94 4.184 4.459 -0.275 1
1 1141 . 17 1 1 A 97 97 ILE CA C 94 60.946 59.861 1.085 1
1 1142 . 17 1 1 A 97 97 ILE CB C 94 38.298 40.901 -2.603 1
1 1146 . 17 1 1 A 97 97 ILE N N 94 123.301 117.012 6.289 1
1 1191 . 17 2 2 B 5 5 GLN H H 48 8.533 7.749 0.784 1
1 1192 . 17 2 2 B 5 5 GLN HA H 48 4.390 4.400 -0.010 1
1 1199 . 17 2 2 B 5 5 GLN C C 48 175.953 175.611 0.342 1
1 1200 . 17 2 2 B 5 5 GLN CA C 48 55.760 55.972 -0.212 1
1 1201 . 17 2 2 B 5 5 GLN CB C 48 29.225 29.538 -0.313 1
1 1203 . 17 2 2 B 5 5 GLN N N 48 122.121 117.573 4.548 1
1 1205 . 17 2 2 B 6 6 THR H H 49 8.281 7.717 0.564 1
1 1206 . 17 2 2 B 6 6 THR HA H 49 4.316 4.511 -0.195 1
1 1211 . 17 2 2 B 6 6 THR C C 49 174.156 175.470 -1.314 1
1 1212 . 17 2 2 B 6 6 THR CA C 49 61.724 60.087 1.637 1
1 1213 . 17 2 2 B 6 6 THR CB C 49 69.452 71.374 -1.922 1
1 1215 . 17 2 2 B 6 6 THR N N 49 116.639 110.743 5.896 1
1 1216 . 17 2 2 B 7 7 LEU H H 50 8.328 8.754 -0.426 1
1 1217 . 17 2 2 B 7 7 LEU HA H 50 4.381 4.201 0.180 1
1 1227 . 17 2 2 B 7 7 LEU C C 50 176.985 177.166 -0.181 1
1 1228 . 17 2 2 B 7 7 LEU CA C 50 55.093 56.501 -1.408 1
1 1229 . 17 2 2 B 7 7 LEU CB C 50 42.122 42.604 -0.482 1
1 1233 . 17 2 2 B 7 7 LEU N N 50 125.001 122.485 2.516 1
1 1234 . 17 2 2 B 8 8 LEU H H 51 8.264 7.507 0.757 1
1 1235 . 17 2 2 B 8 8 LEU HA H 51 4.410 4.482 -0.072 1
1 1245 . 17 2 2 B 8 8 LEU C C 51 177.235 176.004 1.231 1
1 1246 . 17 2 2 B 8 8 LEU CA C 51 54.936 53.888 1.048 1
1 1247 . 17 2 2 B 8 8 LEU CB C 51 42.292 43.251 -0.959 1
1 1251 . 17 2 2 B 8 8 LEU N N 51 123.073 117.343 5.730 1
1 1252 . 17 2 2 B 9 9 SER H H 52 8.499 9.064 -0.565 1
1 1253 . 17 2 2 B 9 9 SER HA H 52 4.410 4.823 -0.413 1
1 1256 . 17 2 2 B 9 9 SER C C 52 174.083 173.708 0.375 1
1 1257 . 17 2 2 B 9 9 SER CA C 52 57.757 55.688 2.069 1
1 1258 . 17 2 2 B 9 9 SER CB C 52 63.734 65.651 -1.917 1
1 1259 . 17 2 2 B 9 9 SER N N 52 117.150 117.467 -0.317 1
1 1260 . 17 2 2 B 10 10 ASP H H 53 8.416 8.846 -0.430 1
1 1261 . 17 2 2 B 10 10 ASP HA H 53 4.575 4.503 0.072 1
1 1264 . 17 2 2 B 10 10 ASP C C 53 176.911 178.346 -1.435 1
1 1265 . 17 2 2 B 10 10 ASP CA C 53 54.678 56.116 -1.438 1
1 1266 . 17 2 2 B 10 10 ASP CB C 53 40.771 40.700 0.071 1
1 1267 . 17 2 2 B 10 10 ASP N N 53 122.632 123.828 -1.196 1
1 1268 . 17 2 2 B 11 11 GLU H H 54 8.486 8.654 -0.168 1
1 1269 . 17 2 2 B 11 11 GLU HA H 54 4.155 4.050 0.105 1
1 1274 . 17 2 2 B 11 11 GLU C C 54 177.220 177.944 -0.724 1
1 1275 . 17 2 2 B 11 11 GLU CA C 54 58.488 59.469 -0.981 1
1 1276 . 17 2 2 B 11 11 GLU CB C 54 29.615 28.981 0.634 1
1 1278 . 17 2 2 B 11 11 GLU N N 54 121.842 118.429 3.413 1
1 1279 . 17 2 2 B 12 12 ASP H H 55 8.301 7.942 0.359 1
1 1280 . 17 2 2 B 12 12 ASP HA H 55 4.470 4.365 0.105 1
1 1283 . 17 2 2 B 12 12 ASP C C 55 177.161 178.379 -1.218 1
1 1284 . 17 2 2 B 12 12 ASP CA C 55 55.901 56.712 -0.811 1
1 1285 . 17 2 2 B 12 12 ASP CB C 55 40.503 40.712 -0.209 1
1 1286 . 17 2 2 B 12 12 ASP N N 55 120.309 120.350 -0.041 1
1 1287 . 17 2 2 B 13 13 ALA H H 56 8.114 8.106 0.008 1
1 1288 . 17 2 2 B 13 13 ALA HA H 56 3.986 4.084 -0.098 1
1 1292 . 17 2 2 B 13 13 ALA C C 56 180.446 179.721 0.725 1
1 1293 . 17 2 2 B 13 13 ALA CA C 56 55.422 54.866 0.556 1
1 1294 . 17 2 2 B 13 13 ALA CB C 56 18.001 18.143 -0.142 1
1 1295 . 17 2 2 B 13 13 ALA N N 56 122.864 122.489 0.375 1
1 1296 . 17 2 2 B 14 14 GLU H H 57 8.105 7.421 0.684 1
1 1297 . 17 2 2 B 14 14 GLU HA H 57 4.010 4.152 -0.142 1
1 1302 . 17 2 2 B 14 14 GLU C C 57 178.914 178.969 -0.055 1
1 1303 . 17 2 2 B 14 14 GLU CA C 57 59.175 58.510 0.665 1
1 1304 . 17 2 2 B 14 14 GLU CB C 57 28.904 29.547 -0.643 1
1 1306 . 17 2 2 B 14 14 GLU N N 57 117.931 118.354 -0.423 1
1 1307 . 17 2 2 B 15 15 LEU H H 58 7.813 8.021 -0.208 1
1 1308 . 17 2 2 B 15 15 LEU HA H 58 4.062 4.051 0.011 1
1 1318 . 17 2 2 B 15 15 LEU C C 58 178.634 179.659 -1.025 1
1 1319 . 17 2 2 B 15 15 LEU CA C 58 56.960 58.112 -1.152 1
1 1320 . 17 2 2 B 15 15 LEU CB C 58 41.973 41.487 0.486 1
1 1324 . 17 2 2 B 15 15 LEU N N 58 119.867 120.283 -0.416 1
1 1325 . 17 2 2 B 16 16 VAL H H 59 8.491 7.716 0.775 1
1 1326 . 17 2 2 B 16 16 VAL HA H 59 3.365 3.888 -0.523 1
1 1334 . 17 2 2 B 16 16 VAL C C 59 177.147 177.309 -0.162 1
1 1335 . 17 2 2 B 16 16 VAL CA C 59 67.142 65.567 1.575 1
1 1336 . 17 2 2 B 16 16 VAL CB C 59 31.176 31.437 -0.261 1
1 1339 . 17 2 2 B 16 16 VAL N N 59 118.357 115.375 2.982 1
1 1340 . 17 2 2 B 17 17 GLU H H 60 7.411 8.435 -1.024 1
1 1341 . 17 2 2 B 17 17 GLU HA H 60 4.015 4.109 -0.094 1
1 1346 . 17 2 2 B 17 17 GLU C C 60 179.636 178.331 1.305 1
1 1347 . 17 2 2 B 17 17 GLU CA C 60 59.203 58.786 0.417 1
1 1348 . 17 2 2 B 17 17 GLU CB C 60 28.970 29.135 -0.165 1
1 1350 . 17 2 2 B 17 17 GLU N N 60 117.103 120.265 -3.162 1
1 1351 . 17 2 2 B 18 18 ILE H H 61 7.574 7.806 -0.232 1
1 1352 . 17 2 2 B 18 18 ILE HA H 61 3.830 3.793 0.037 1
1 1362 . 17 2 2 B 18 18 ILE C C 61 178.001 178.423 -0.422 1
1 1363 . 17 2 2 B 18 18 ILE CA C 61 63.982 64.469 -0.487 1
1 1364 . 17 2 2 B 18 18 ILE CB C 61 38.483 37.229 1.254 1
1 1368 . 17 2 2 B 18 18 ILE N N 61 120.727 121.545 -0.818 1
1 1369 . 17 2 2 B 19 19 VAL H H 62 8.294 8.062 0.232 1
1 1370 . 17 2 2 B 19 19 VAL HA H 62 3.360 3.781 -0.421 1
1 1378 . 17 2 2 B 19 19 VAL C C 62 177.338 177.902 -0.564 1
1 1379 . 17 2 2 B 19 19 VAL CA C 62 66.364 65.426 0.938 1
1 1380 . 17 2 2 B 19 19 VAL CB C 62 31.203 31.399 -0.196 1
1 1383 . 17 2 2 B 19 19 VAL N N 62 119.635 121.352 -1.717 1
1 1384 . 17 2 2 B 20 20 LYS H H 63 8.780 8.075 0.705 1
1 1385 . 17 2 2 B 20 20 LYS HA H 63 3.784 3.988 -0.204 1
1 1394 . 17 2 2 B 20 20 LYS C C 63 179.209 178.737 0.472 1
1 1395 . 17 2 2 B 20 20 LYS CA C 63 60.096 58.862 1.234 1
1 1396 . 17 2 2 B 20 20 LYS CB C 63 32.673 31.799 0.874 1
1 1400 . 17 2 2 B 20 20 LYS N N 63 118.009 120.363 -2.354 1
1 1401 . 17 2 2 B 21 21 GLU H H 64 7.567 7.772 -0.205 1
1 1402 . 17 2 2 B 21 21 GLU HA H 64 4.084 4.053 0.031 1
1 1407 . 17 2 2 B 21 21 GLU C C 64 179.592 179.796 -0.204 1
1 1408 . 17 2 2 B 21 21 GLU CA C 64 58.728 59.273 -0.545 1
1 1409 . 17 2 2 B 21 21 GLU CB C 64 28.974 29.173 -0.199 1
1 1411 . 17 2 2 B 21 21 GLU N N 64 117.452 119.708 -2.256 1
1 1412 . 17 2 2 B 22 22 ARG H H 65 8.156 8.072 0.084 1
1 1413 . 17 2 2 B 22 22 ARG HA H 65 4.053 4.110 -0.057 1
1 1420 . 17 2 2 B 22 22 ARG C C 65 177.986 177.602 0.384 1
1 1421 . 17 2 2 B 22 22 ARG CA C 65 61.243 58.319 2.924 1
1 1422 . 17 2 2 B 22 22 ARG CB C 65 29.980 30.346 -0.366 1
1 1425 . 17 2 2 B 22 22 ARG N N 65 119.635 120.067 -0.432 1
1 1426 . 17 2 2 B 23 23 LEU H H 66 8.436 7.861 0.575 1
1 1427 . 17 2 2 B 23 23 LEU HA H 66 4.106 4.188 -0.082 1
1 1437 . 17 2 2 B 23 23 LEU C C 66 178.620 179.205 -0.585 1
1 1438 . 17 2 2 B 23 23 LEU CA C 66 56.667 55.545 1.122 1
1 1439 . 17 2 2 B 23 23 LEU CB C 66 41.465 41.767 -0.302 1
1 1443 . 17 2 2 B 23 23 LEU N N 66 115.686 117.150 -1.464 1
1 1444 . 17 2 2 B 24 24 ARG H H 67 7.404 8.609 -1.205 1
1 1445 . 17 2 2 B 24 24 ARG HA H 67 4.165 4.112 0.053 1
1 1452 . 17 2 2 B 24 24 ARG C C 67 177.147 176.478 0.669 1
1 1453 . 17 2 2 B 24 24 ARG CA C 67 59.004 58.922 0.082 1
1 1454 . 17 2 2 B 24 24 ARG CB C 67 30.472 30.018 0.454 1
1 1457 . 17 2 2 B 24 24 ARG N N 67 118.427 118.565 -0.138 1
1 1458 . 17 2 2 B 25 25 ASN H H 68 7.322 7.983 -0.661 1
1 1459 . 17 2 2 B 25 25 ASN HA H 68 5.064 5.186 -0.122 1
1 1464 . 17 2 2 B 25 25 ASN CA C 68 51.014 50.490 0.524 1
1 1465 . 17 2 2 B 25 25 ASN CB C 68 38.696 38.922 -0.226 1
1 1466 . 17 2 2 B 25 25 ASN N N 68 114.083 117.440 -3.357 1
1 1468 . 17 2 2 B 26 26 PRO HA H 69 4.521 4.381 0.140 1
1 1475 . 17 2 2 B 26 26 PRO C C 69 177.323 177.126 0.197 1
1 1476 . 17 2 2 B 26 26 PRO CA C 69 63.698 65.307 -1.609 1
1 1477 . 17 2 2 B 26 26 PRO CB C 69 33.286 31.801 1.485 1
1 1480 . 17 2 2 B 27 27 LYS H H 70 8.672 7.953 0.719 1
1 1481 . 17 2 2 B 27 27 LYS HA H 70 4.980 3.949 1.031 1
1 1490 . 17 2 2 B 27 27 LYS CA C 70 52.767 56.549 -3.782 1
1 1491 . 17 2 2 B 27 27 LYS CB C 70 33.540 30.810 2.730 1
1 1495 . 17 2 2 B 27 27 LYS N N 70 121.210 115.723 5.487 1
1 1496 . 17 2 2 B 28 28 PRO HA H 71 4.467 4.697 -0.230 1
1 1503 . 17 2 2 B 28 28 PRO C C 71 177.235 175.594 1.641 1
1 1504 . 17 2 2 B 28 28 PRO CA C 71 63.859 62.233 1.626 1
1 1505 . 17 2 2 B 28 28 PRO CB C 71 32.632 32.703 -0.071 1
1 1508 . 17 2 2 B 29 29 VAL H H 72 9.036 8.497 0.539 1
1 1509 . 17 2 2 B 29 29 VAL HA H 72 4.155 4.525 -0.370 1
1 1517 . 17 2 2 B 29 29 VAL C C 72 174.554 175.024 -0.470 1
1 1518 . 17 2 2 B 29 29 VAL CA C 72 61.506 60.480 1.026 1
1 1519 . 17 2 2 B 29 29 VAL CB C 72 34.764 34.085 0.679 1
1 1522 . 17 2 2 B 29 29 VAL N N 72 124.322 122.479 1.843 1
1 1523 . 17 2 2 B 30 30 ARG H H 73 8.437 8.633 -0.196 1
1 1524 . 17 2 2 B 30 30 ARG HA H 73 5.195 4.615 0.580 1
1 1531 . 17 2 2 B 30 30 ARG C C 73 176.248 176.142 0.106 1
1 1532 . 17 2 2 B 30 30 ARG CA C 73 55.189 56.206 -1.017 1
1 1533 . 17 2 2 B 30 30 ARG CB C 73 27.764 30.538 -2.774 1
1 1536 . 17 2 2 B 30 30 ARG N N 73 129.461 128.224 1.237 1
1 1537 . 17 2 2 B 31 31 VAL H H 74 8.822 8.873 -0.051 1
1 1538 . 17 2 2 B 31 31 VAL HA H 74 4.889 5.278 -0.389 1
1 1546 . 17 2 2 B 31 31 VAL C C 74 173.965 173.954 0.011 1
1 1547 . 17 2 2 B 31 31 VAL CA C 74 59.055 59.122 -0.067 1
1 1548 . 17 2 2 B 31 31 VAL CB C 74 35.653 36.385 -0.732 1
1 1551 . 17 2 2 B 31 31 VAL N N 74 123.375 119.888 3.487 1
1 1552 . 17 2 2 B 32 32 THR H H 75 7.855 8.371 -0.516 1
1 1553 . 17 2 2 B 32 32 THR HA H 75 4.730 5.007 -0.277 1
1 1558 . 17 2 2 B 32 32 THR C C 75 175.865 175.254 0.611 1
1 1559 . 17 2 2 B 32 32 THR CA C 75 59.052 59.228 -0.176 1
1 1560 . 17 2 2 B 32 32 THR CB C 75 71.228 72.205 -0.977 1
1 1562 . 17 2 2 B 32 32 THR N N 75 109.507 110.897 -1.390 1
1 1563 . 17 2 2 B 33 33 LEU H H 76 8.841 8.970 -0.129 1
1 1564 . 17 2 2 B 33 33 LEU HA H 76 3.773 4.045 -0.272 1
1 1574 . 17 2 2 B 33 33 LEU C C 76 178.737 178.758 -0.021 1
1 1575 . 17 2 2 B 33 33 LEU CA C 76 57.892 57.573 0.319 1
1 1576 . 17 2 2 B 33 33 LEU CB C 76 41.057 41.557 -0.500 1
1 1580 . 17 2 2 B 33 33 LEU N N 76 121.099 122.033 -0.934 1
1 1581 . 17 2 2 B 34 34 ASP H H 77 7.983 8.306 -0.323 1
1 1582 . 17 2 2 B 34 34 ASP HA H 77 4.431 4.390 0.041 1
1 1585 . 17 2 2 B 34 34 ASP C C 77 177.088 177.696 -0.608 1
1 1586 . 17 2 2 B 34 34 ASP CA C 77 55.837 57.461 -1.624 1
1 1587 . 17 2 2 B 34 34 ASP CB C 77 40.498 41.589 -1.091 1
1 1588 . 17 2 2 B 34 34 ASP N N 77 113.851 119.890 -6.039 1
1 1589 . 17 2 2 B 35 35 GLU H H 78 7.561 8.189 -0.628 1
1 1590 . 17 2 2 B 35 35 GLU HA H 78 4.320 4.296 0.024 1
1 1595 . 17 2 2 B 35 35 GLU C C 78 175.482 176.673 -1.191 1
1 1596 . 17 2 2 B 35 35 GLU CA C 78 55.918 57.192 -1.274 1
1 1597 . 17 2 2 B 35 35 GLU CB C 78 30.767 29.889 0.878 1
1 1599 . 17 2 2 B 35 35 GLU N N 78 117.508 115.774 1.734 1
1 15 . 18 1 1 A 5 5 ALA H H 2 8.098 8.315 -0.217 1
1 16 . 18 1 1 A 5 5 ALA HA H 2 4.389 4.164 0.225 1
1 20 . 18 1 1 A 5 5 ALA CA C 2 51.852 54.344 -2.492 1
1 21 . 18 1 1 A 5 5 ALA CB C 2 19.420 19.506 -0.086 1
1 22 . 18 1 1 A 5 5 ALA N N 2 125.572 126.474 -0.902 1
1 23 . 18 1 1 A 6 6 TYR H H 3 8.402 8.170 0.232 1
1 24 . 18 1 1 A 6 6 TYR HA H 3 4.236 4.551 -0.315 1
1 31 . 18 1 1 A 6 6 TYR CA C 3 57.802 56.993 0.809 1
1 32 . 18 1 1 A 6 6 TYR CB C 3 39.608 40.269 -0.661 1
1 35 . 18 1 1 A 6 6 TYR N N 3 120.730 114.836 5.894 1
1 36 . 18 1 1 A 7 7 PHE H H 4 8.958 8.863 0.095 1
1 37 . 18 1 1 A 7 7 PHE HA H 4 4.509 4.867 -0.358 1
1 45 . 18 1 1 A 7 7 PHE CA C 4 57.936 57.758 0.178 1
1 46 . 18 1 1 A 7 7 PHE CB C 4 40.613 40.695 -0.082 1
1 50 . 18 1 1 A 7 7 PHE N N 4 118.436 121.709 -3.273 1
1 51 . 18 1 1 A 8 8 LEU H H 5 8.711 8.718 -0.007 1
1 52 . 18 1 1 A 8 8 LEU HA H 5 5.336 5.313 0.023 1
1 62 . 18 1 1 A 8 8 LEU CA C 5 53.391 53.715 -0.324 1
1 63 . 18 1 1 A 8 8 LEU CB C 5 44.716 45.966 -1.250 1
1 67 . 18 1 1 A 8 8 LEU N N 5 122.810 122.680 0.130 1
1 68 . 18 1 1 A 9 9 ASP H H 6 9.145 8.989 0.156 1
1 69 . 18 1 1 A 9 9 ASP HA H 6 5.999 5.753 0.246 1
1 72 . 18 1 1 A 9 9 ASP CA C 6 51.759 53.142 -1.383 1
1 73 . 18 1 1 A 9 9 ASP CB C 6 44.757 45.614 -0.857 1
1 74 . 18 1 1 A 9 9 ASP N N 6 124.570 124.725 -0.155 1
1 75 . 18 1 1 A 10 10 PHE H H 7 9.884 9.214 0.670 1
1 76 . 18 1 1 A 10 10 PHE HA H 7 5.231 5.149 0.082 1
1 83 . 18 1 1 A 10 10 PHE CA C 7 55.321 56.771 -1.450 1
1 84 . 18 1 1 A 10 10 PHE CB C 7 42.863 43.098 -0.235 1
1 88 . 18 1 1 A 10 10 PHE N N 7 123.156 121.322 1.834 1
1 89 . 18 1 1 A 11 11 ASP H H 8 8.986 8.641 0.345 1
1 90 . 18 1 1 A 11 11 ASP HA H 8 4.924 4.768 0.156 1
1 93 . 18 1 1 A 11 11 ASP CA C 8 55.122 54.867 0.255 1
1 94 . 18 1 1 A 11 11 ASP CB C 8 44.453 42.353 2.100 1
1 95 . 18 1 1 A 11 11 ASP N N 8 123.103 124.476 -1.373 1
1 96 . 18 1 1 A 12 12 GLU H H 9 9.685 9.218 0.467 1
1 97 . 18 1 1 A 12 12 GLU HA H 9 3.984 4.034 -0.050 1
1 102 . 18 1 1 A 12 12 GLU CA C 9 60.974 59.801 1.173 1
1 103 . 18 1 1 A 12 12 GLU CB C 9 31.222 29.513 1.709 1
1 105 . 18 1 1 A 12 12 GLU N N 9 128.730 126.752 1.978 1
1 106 . 18 1 1 A 13 13 ARG H H 10 9.626 8.125 1.501 1
1 107 . 18 1 1 A 13 13 ARG HA H 10 4.063 4.022 0.041 1
1 114 . 18 1 1 A 13 13 ARG CA C 10 59.013 58.928 0.085 1
1 115 . 18 1 1 A 13 13 ARG CB C 10 30.124 30.143 -0.019 1
1 118 . 18 1 1 A 13 13 ARG N N 10 117.930 119.968 -2.038 1
1 119 . 18 1 1 A 14 14 ALA H H 11 7.268 8.479 -1.211 1
1 120 . 18 1 1 A 14 14 ALA HA H 11 5.323 4.205 1.118 1
1 124 . 18 1 1 A 14 14 ALA CA C 11 53.013 55.024 -2.011 1
1 125 . 18 1 1 A 14 14 ALA CB C 11 18.072 18.779 -0.707 1
1 126 . 18 1 1 A 14 14 ALA N N 11 122.063 122.322 -0.259 1
1 127 . 18 1 1 A 15 15 LEU H H 12 8.773 8.227 0.546 1
1 128 . 18 1 1 A 15 15 LEU HA H 12 4.318 2.950 1.368 1
1 138 . 18 1 1 A 15 15 LEU CA C 12 57.404 57.729 -0.325 1
1 139 . 18 1 1 A 15 15 LEU CB C 12 41.842 41.679 0.163 1
1 143 . 18 1 1 A 15 15 LEU N N 12 121.956 118.909 3.047 1
1 144 . 18 1 1 A 16 16 LYS H H 13 7.515 7.710 -0.195 1
1 145 . 18 1 1 A 16 16 LYS HA H 13 4.099 3.836 0.263 1
1 154 . 18 1 1 A 16 16 LYS CA C 13 59.837 59.506 0.331 1
1 155 . 18 1 1 A 16 16 LYS CB C 13 32.297 31.820 0.477 1
1 159 . 18 1 1 A 16 16 LYS N N 13 118.250 116.951 1.299 1
1 160 . 18 1 1 A 17 17 GLU H H 14 7.416 7.924 -0.508 1
1 161 . 18 1 1 A 17 17 GLU HA H 14 3.959 4.054 -0.095 1
1 166 . 18 1 1 A 17 17 GLU CA C 14 59.458 59.309 0.149 1
1 167 . 18 1 1 A 17 17 GLU CB C 14 29.644 29.287 0.357 1
1 169 . 18 1 1 A 17 17 GLU N N 14 118.330 119.883 -1.553 1
1 170 . 18 1 1 A 18 18 TRP H H 15 9.095 7.897 1.198 1
1 171 . 18 1 1 A 18 18 TRP HA H 15 4.013 4.545 -0.532 1
1 178 . 18 1 1 A 18 18 TRP CA C 15 60.476 59.652 0.824 1
1 179 . 18 1 1 A 18 18 TRP CB C 15 29.644 27.884 1.760 1
1 182 . 18 1 1 A 18 18 TRP N N 15 121.770 118.721 3.049 1
1 183 . 18 1 1 A 19 19 ARG H H 16 8.060 7.194 0.866 1
1 184 . 18 1 1 A 19 19 ARG HA H 16 4.030 4.220 -0.190 1
1 191 . 18 1 1 A 19 19 ARG CA C 16 57.993 57.505 0.488 1
1 192 . 18 1 1 A 19 19 ARG CB C 16 29.948 30.176 -0.228 1
1 195 . 18 1 1 A 19 19 ARG N N 16 113.396 120.306 -6.910 1
1 196 . 18 1 1 A 20 20 LYS H H 17 7.274 7.652 -0.378 1
1 197 . 18 1 1 A 20 20 LYS HA H 17 4.311 4.403 -0.092 1
1 206 . 18 1 1 A 20 20 LYS CA C 17 57.183 57.501 -0.318 1
1 207 . 18 1 1 A 20 20 LYS CB C 17 32.106 32.507 -0.401 1
1 211 . 18 1 1 A 20 20 LYS N N 17 116.232 114.960 1.272 1
1 212 . 18 1 1 A 21 21 LEU H H 18 7.359 7.241 0.118 1
1 213 . 18 1 1 A 21 21 LEU HA H 18 4.074 4.965 -0.891 1
1 223 . 18 1 1 A 21 21 LEU CA C 18 54.367 52.931 1.436 1
1 224 . 18 1 1 A 21 21 LEU CB C 18 43.185 45.026 -1.841 1
1 228 . 18 1 1 A 21 21 LEU N N 18 119.903 116.437 3.466 1
1 229 . 18 1 1 A 22 22 GLY H H 19 8.455 8.312 0.143 1
1 230 . 18 1 1 A 22 22 GLY HA2 H 19 4.103 4.049 0.054 1
1 231 . 18 1 1 A 22 22 GLY HA3 H 19 3.888 4.081 -0.193 1
1 232 . 18 1 1 A 22 22 GLY CA C 19 44.739 45.475 -0.736 1
1 233 . 18 1 1 A 22 22 GLY N N 19 108.063 107.551 0.512 1
1 234 . 18 1 1 A 23 23 SER H H 20 8.711 8.828 -0.117 1
1 235 . 18 1 1 A 23 23 SER HA H 20 4.422 4.157 0.265 1
1 238 . 18 1 1 A 23 23 SER CA C 20 58.325 60.997 -2.672 1
1 239 . 18 1 1 A 23 23 SER CB C 20 63.754 62.769 0.985 1
1 240 . 18 1 1 A 23 23 SER N N 20 117.509 117.216 0.293 1
1 241 . 18 1 1 A 24 24 THR H H 21 8.273 7.856 0.417 1
1 242 . 18 1 1 A 24 24 THR HA H 21 4.026 3.950 0.076 1
1 247 . 18 1 1 A 24 24 THR CA C 21 65.605 66.319 -0.714 1
1 248 . 18 1 1 A 24 24 THR CB C 21 68.013 68.160 -0.147 1
1 250 . 18 1 1 A 24 24 THR N N 21 116.047 117.997 -1.950 1
1 251 . 18 1 1 A 25 25 VAL H H 22 7.075 7.911 -0.836 1
1 252 . 18 1 1 A 25 25 VAL HA H 22 3.507 3.437 0.070 1
1 260 . 18 1 1 A 25 25 VAL CA C 22 65.475 66.721 -1.246 1
1 261 . 18 1 1 A 25 25 VAL CB C 22 31.319 31.267 0.052 1
1 264 . 18 1 1 A 25 25 VAL N N 22 122.543 121.690 0.853 1
1 265 . 18 1 1 A 26 26 ARG H H 23 7.781 8.075 -0.294 1
1 266 . 18 1 1 A 26 26 ARG HA H 23 3.116 4.012 -0.896 1
1 273 . 18 1 1 A 26 26 ARG CA C 23 60.215 58.146 2.069 1
1 274 . 18 1 1 A 26 26 ARG CB C 23 30.555 30.017 0.538 1
1 277 . 18 1 1 A 26 26 ARG N N 23 118.490 119.916 -1.426 1
1 278 . 18 1 1 A 27 27 GLU H H 24 8.107 8.028 0.079 1
1 279 . 18 1 1 A 27 27 GLU HA H 24 4.031 4.082 -0.051 1
1 284 . 18 1 1 A 27 27 GLU CA C 24 59.421 59.008 0.413 1
1 285 . 18 1 1 A 27 27 GLU CB C 24 29.126 29.130 -0.004 1
1 287 . 18 1 1 A 27 27 GLU N N 24 116.756 118.874 -2.118 1
1 288 . 18 1 1 A 28 28 GLN H H 25 7.760 7.583 0.177 1
1 289 . 18 1 1 A 28 28 GLN HA H 25 4.097 3.999 0.098 1
1 296 . 18 1 1 A 28 28 GLN CA C 25 59.055 58.733 0.322 1
1 297 . 18 1 1 A 28 28 GLN CB C 25 29.925 28.162 1.763 1
1 299 . 18 1 1 A 28 28 GLN N N 25 118.410 119.725 -1.315 1
1 301 . 18 1 1 A 29 29 LEU H H 26 8.631 8.017 0.614 1
1 302 . 18 1 1 A 29 29 LEU HA H 26 4.145 3.962 0.183 1
1 312 . 18 1 1 A 29 29 LEU CA C 26 57.929 57.967 -0.038 1
1 313 . 18 1 1 A 29 29 LEU CB C 26 42.787 41.491 1.296 1
1 317 . 18 1 1 A 29 29 LEU N N 26 119.716 120.326 -0.610 1
1 318 . 18 1 1 A 30 30 LYS H H 27 9.183 7.995 1.188 1
1 319 . 18 1 1 A 30 30 LYS HA H 27 3.981 3.850 0.131 1
1 328 . 18 1 1 A 30 30 LYS CA C 27 61.364 60.023 1.341 1
1 329 . 18 1 1 A 30 30 LYS CB C 27 32.137 31.883 0.254 1
1 333 . 18 1 1 A 30 30 LYS N N 27 120.836 117.597 3.239 1
1 334 . 18 1 1 A 31 31 LYS H H 28 7.580 7.452 0.128 1
1 335 . 18 1 1 A 31 31 LYS HA H 28 4.050 4.083 -0.033 1
1 344 . 18 1 1 A 31 31 LYS CA C 28 59.586 59.562 0.024 1
1 345 . 18 1 1 A 31 31 LYS CB C 28 32.373 32.106 0.267 1
1 349 . 18 1 1 A 31 31 LYS N N 28 116.783 119.556 -2.773 1
1 350 . 18 1 1 A 32 32 LYS H H 29 7.300 7.446 -0.146 1
1 351 . 18 1 1 A 32 32 LYS HA H 29 4.090 4.100 -0.010 1
1 360 . 18 1 1 A 32 32 LYS CA C 29 57.130 58.649 -1.519 1
1 361 . 18 1 1 A 32 32 LYS N N 29 116.383 119.182 -2.799 1
1 362 . 18 1 1 A 33 33 LEU H H 30 8.722 7.949 0.773 1
1 363 . 18 1 1 A 33 33 LEU HA H 30 3.881 4.031 -0.150 1
1 373 . 18 1 1 A 33 33 LEU CA C 30 57.634 57.207 0.427 1
1 374 . 18 1 1 A 33 33 LEU CB C 30 42.116 41.512 0.604 1
1 378 . 18 1 1 A 33 33 LEU N N 30 121.770 119.230 2.540 1
1 379 . 18 1 1 A 34 34 VAL H H 31 8.067 7.887 0.180 1
1 380 . 18 1 1 A 34 34 VAL HA H 31 3.479 3.802 -0.323 1
1 388 . 18 1 1 A 34 34 VAL CA C 31 66.847 64.515 2.332 1
1 389 . 18 1 1 A 34 34 VAL CB C 31 31.860 31.636 0.224 1
1 392 . 18 1 1 A 34 34 VAL N N 31 118.116 118.795 -0.679 1
1 393 . 18 1 1 A 35 35 GLU H H 32 6.825 7.727 -0.902 1
1 394 . 18 1 1 A 35 35 GLU HA H 32 4.090 4.191 -0.101 1
1 399 . 18 1 1 A 35 35 GLU CA C 32 58.624 58.424 0.200 1
1 400 . 18 1 1 A 35 35 GLU CB C 32 29.746 29.878 -0.132 1
1 402 . 18 1 1 A 35 35 GLU N N 32 116.570 120.086 -3.516 1
1 403 . 18 1 1 A 36 36 VAL H H 33 7.785 7.673 0.112 1
1 404 . 18 1 1 A 36 36 VAL HA H 33 3.484 3.730 -0.246 1
1 412 . 18 1 1 A 36 36 VAL CA C 33 65.213 65.010 0.203 1
1 413 . 18 1 1 A 36 36 VAL CB C 33 31.932 31.145 0.787 1
1 416 . 18 1 1 A 36 36 VAL N N 33 120.618 120.746 -0.128 1
1 417 . 18 1 1 A 37 37 LEU H H 34 7.956 7.743 0.213 1
1 418 . 18 1 1 A 37 37 LEU HA H 34 3.747 4.121 -0.374 1
1 428 . 18 1 1 A 37 37 LEU CA C 34 57.069 56.352 0.717 1
1 429 . 18 1 1 A 37 37 LEU CB C 34 40.916 41.629 -0.713 1
1 433 . 18 1 1 A 37 37 LEU N N 34 115.476 121.436 -5.960 1
1 434 . 18 1 1 A 38 38 GLU H H 35 7.042 7.651 -0.609 1
1 435 . 18 1 1 A 38 38 GLU HA H 35 4.395 4.404 -0.009 1
1 440 . 18 1 1 A 38 38 GLU CA C 35 57.553 57.667 -0.114 1
1 441 . 18 1 1 A 38 38 GLU CB C 35 30.234 31.145 -0.911 1
1 443 . 18 1 1 A 38 38 GLU N N 35 114.356 117.182 -2.826 1
1 444 . 18 1 1 A 39 39 SER H H 36 7.125 7.561 -0.436 1
1 445 . 18 1 1 A 39 39 SER HA H 36 4.593 4.669 -0.076 1
1 448 . 18 1 1 A 39 39 SER CA C 36 55.308 55.634 -0.326 1
1 449 . 18 1 1 A 39 39 SER CB C 36 62.305 64.280 -1.975 1
1 450 . 18 1 1 A 39 39 SER N N 36 109.796 112.149 -2.353 1
1 451 . 18 1 1 A 40 40 PRO HA H 37 4.360 4.405 -0.045 1
1 458 . 18 1 1 A 40 40 PRO CA C 37 64.802 63.582 1.220 1
1 459 . 18 1 1 A 40 40 PRO CB C 37 32.562 32.634 -0.072 1
1 462 . 18 1 1 A 41 41 ARG H H 38 8.356 7.971 0.385 1
1 463 . 18 1 1 A 41 41 ARG HA H 38 3.271 4.323 -1.052 1
1 470 . 18 1 1 A 41 41 ARG CA C 38 56.364 55.132 1.232 1
1 471 . 18 1 1 A 41 41 ARG CB C 38 29.580 29.298 0.282 1
1 474 . 18 1 1 A 41 41 ARG N N 38 120.882 120.791 0.091 1
1 475 . 18 1 1 A 42 42 ILE H H 39 5.973 7.919 -1.946 1
1 476 . 18 1 1 A 42 42 ILE HA H 39 4.216 4.564 -0.348 1
1 486 . 18 1 1 A 42 42 ILE CA C 39 60.301 60.602 -0.301 1
1 487 . 18 1 1 A 42 42 ILE CB C 39 38.705 39.095 -0.390 1
1 491 . 18 1 1 A 42 42 ILE N N 39 127.866 125.608 2.258 1
1 492 . 18 1 1 A 43 43 GLU H H 40 8.860 8.891 -0.031 1
1 493 . 18 1 1 A 43 43 GLU HA H 40 4.218 4.122 0.096 1
1 498 . 18 1 1 A 43 43 GLU CA C 40 59.945 59.269 0.676 1
1 499 . 18 1 1 A 43 43 GLU CB C 40 29.040 29.107 -0.067 1
1 501 . 18 1 1 A 43 43 GLU N N 40 129.498 127.036 2.462 1
1 502 . 18 1 1 A 44 44 ALA H H 41 8.827 8.043 0.784 1
1 503 . 18 1 1 A 44 44 ALA HA H 41 4.241 4.085 0.156 1
1 507 . 18 1 1 A 44 44 ALA CA C 41 54.035 54.330 -0.295 1
1 508 . 18 1 1 A 44 44 ALA CB C 41 18.466 18.256 0.210 1
1 509 . 18 1 1 A 44 44 ALA N N 41 119.919 122.307 -2.388 1
1 510 . 18 1 1 A 45 45 ASN H H 42 8.184 7.970 0.214 1
1 511 . 18 1 1 A 45 45 ASN HA H 42 5.082 4.804 0.278 1
1 516 . 18 1 1 A 45 45 ASN CA C 42 51.401 53.287 -1.886 1
1 517 . 18 1 1 A 45 45 ASN CB C 42 38.684 39.160 -0.476 1
1 518 . 18 1 1 A 45 45 ASN N N 42 114.675 114.394 0.281 1
1 520 . 18 1 1 A 46 46 LYS H H 43 7.515 7.352 0.163 1
1 521 . 18 1 1 A 46 46 LYS HA H 43 3.741 3.585 0.156 1
1 530 . 18 1 1 A 46 46 LYS CA C 43 57.354 56.620 0.734 1
1 531 . 18 1 1 A 46 46 LYS CB C 43 32.905 32.858 0.047 1
1 535 . 18 1 1 A 46 46 LYS N N 43 122.167 121.389 0.778 1
1 536 . 18 1 1 A 47 47 LEU H H 44 8.184 8.260 -0.076 1
1 537 . 18 1 1 A 47 47 LEU HA H 44 4.297 4.411 -0.114 1
1 547 . 18 1 1 A 47 47 LEU CA C 44 53.422 54.084 -0.662 1
1 548 . 18 1 1 A 47 47 LEU CB C 44 42.208 42.604 -0.396 1
1 552 . 18 1 1 A 47 47 LEU N N 44 127.544 124.067 3.477 1
1 553 . 18 1 1 A 48 48 ARG H H 45 8.706 8.726 -0.020 1
1 554 . 18 1 1 A 48 48 ARG HA H 45 3.918 3.998 -0.080 1
1 561 . 18 1 1 A 48 48 ARG CA C 45 57.765 59.566 -1.801 1
1 562 . 18 1 1 A 48 48 ARG CB C 45 29.686 30.447 -0.761 1
1 565 . 18 1 1 A 48 48 ARG N N 45 128.641 122.897 5.744 1
1 566 . 18 1 1 A 49 49 GLY H H 46 8.543 7.855 0.688 1
1 567 . 18 1 1 A 49 49 GLY HA2 H 46 4.129 4.002 0.127 1
1 568 . 18 1 1 A 49 49 GLY HA3 H 46 3.662 4.010 -0.348 1
1 569 . 18 1 1 A 49 49 GLY CA C 46 44.981 45.595 -0.614 1
1 570 . 18 1 1 A 49 49 GLY N N 46 110.474 106.048 4.426 1
1 571 . 18 1 1 A 50 50 MET H H 47 7.404 7.640 -0.236 1
1 572 . 18 1 1 A 50 50 MET HA H 47 5.226 4.959 0.267 1
1 580 . 18 1 1 A 50 50 MET CA C 47 50.824 52.328 -1.504 1
1 581 . 18 1 1 A 50 50 MET CB C 47 33.186 33.119 0.067 1
1 584 . 18 1 1 A 50 50 MET N N 47 118.742 118.670 0.072 1
1 585 . 18 1 1 A 51 51 PRO HA H 48 4.344 4.194 0.150 1
1 592 . 18 1 1 A 51 51 PRO CA C 48 63.591 64.465 -0.874 1
1 593 . 18 1 1 A 51 51 PRO CB C 48 31.942 31.963 -0.021 1
1 596 . 18 1 1 A 52 52 ASP H H 49 8.703 8.646 0.057 1
1 597 . 18 1 1 A 52 52 ASP HA H 49 4.392 4.660 -0.268 1
1 600 . 18 1 1 A 52 52 ASP CA C 49 56.244 55.021 1.223 1
1 601 . 18 1 1 A 52 52 ASP N N 49 116.361 117.432 -1.071 1
1 602 . 18 1 1 A 53 53 CYS H H 50 7.456 7.280 0.176 1
1 603 . 18 1 1 A 53 53 CYS HA H 50 5.799 4.912 0.887 1
1 606 . 18 1 1 A 53 53 CYS CA C 50 58.147 56.869 1.278 1
1 607 . 18 1 1 A 53 53 CYS CB C 50 30.953 30.711 0.242 1
1 608 . 18 1 1 A 53 53 CYS N N 50 114.086 117.966 -3.880 1
1 609 . 18 1 1 A 54 54 TYR H H 51 8.939 8.729 0.210 1
1 610 . 18 1 1 A 54 54 TYR HA H 51 4.662 5.326 -0.664 1
1 617 . 18 1 1 A 54 54 TYR CA C 51 56.444 56.154 0.290 1
1 618 . 18 1 1 A 54 54 TYR CB C 51 43.000 43.092 -0.092 1
1 620 . 18 1 1 A 54 54 TYR N N 51 120.722 123.976 -3.254 1
1 621 . 18 1 1 A 55 55 LYS H H 52 8.665 8.926 -0.261 1
1 622 . 18 1 1 A 55 55 LYS HA H 52 5.456 5.303 0.153 1
1 631 . 18 1 1 A 55 55 LYS CA C 52 53.968 54.203 -0.235 1
1 632 . 18 1 1 A 55 55 LYS CB C 52 36.126 36.905 -0.779 1
1 636 . 18 1 1 A 55 55 LYS N N 52 117.297 117.600 -0.303 1
1 637 . 18 1 1 A 56 56 ILE H H 53 9.272 8.720 0.552 1
1 638 . 18 1 1 A 56 56 ILE HA H 53 4.428 4.884 -0.456 1
1 648 . 18 1 1 A 56 56 ILE CA C 53 60.803 59.626 1.177 1
1 649 . 18 1 1 A 56 56 ILE CB C 53 40.849 42.321 -1.472 1
1 653 . 18 1 1 A 56 56 ILE N N 53 122.006 120.372 1.634 1
1 654 . 18 1 1 A 57 57 LYS H H 54 8.745 8.887 -0.142 1
1 655 . 18 1 1 A 57 57 LYS HA H 54 5.093 5.228 -0.135 1
1 664 . 18 1 1 A 57 57 LYS CA C 54 54.227 54.637 -0.410 1
1 665 . 18 1 1 A 57 57 LYS CB C 54 35.595 36.275 -0.680 1
1 669 . 18 1 1 A 57 57 LYS N N 54 125.752 124.944 0.808 1
1 670 . 18 1 1 A 58 58 LEU H H 55 8.543 8.920 -0.377 1
1 671 . 18 1 1 A 58 58 LEU HA H 55 4.788 4.441 0.347 1
1 681 . 18 1 1 A 58 58 LEU CA C 55 53.151 54.986 -1.835 1
1 682 . 18 1 1 A 58 58 LEU CB C 55 41.238 41.308 -0.070 1
1 686 . 18 1 1 A 58 58 LEU N N 55 124.173 125.043 -0.870 1
1 687 . 18 1 1 A 59 59 ARG HA H 56 4.039 4.109 -0.070 1
1 694 . 18 1 1 A 59 59 ARG CA C 56 59.531 58.408 1.123 1
1 695 . 18 1 1 A 59 59 ARG CB C 56 32.180 29.739 2.441 1
1 698 . 18 1 1 A 60 60 SER HA H 57 4.335 4.414 -0.079 1
1 701 . 18 1 1 A 60 60 SER CA C 57 60.035 61.022 -0.987 1
1 702 . 18 1 1 A 60 60 SER CB C 57 62.551 63.663 -1.112 1
1 703 . 18 1 1 A 61 61 SER H H 58 7.605 7.453 0.152 1
1 704 . 18 1 1 A 61 61 SER HA H 58 4.604 4.647 -0.043 1
1 707 . 18 1 1 A 61 61 SER CA C 58 58.122 58.884 -0.762 1
1 708 . 18 1 1 A 61 61 SER CB C 58 64.520 64.392 0.128 1
1 709 . 18 1 1 A 61 61 SER N N 58 112.447 113.258 -0.811 1
1 710 . 18 1 1 A 62 62 GLY H H 59 8.214 8.003 0.211 1
1 711 . 18 1 1 A 62 62 GLY HA2 H 59 4.091 4.003 0.088 1
1 712 . 18 1 1 A 62 62 GLY HA3 H 59 3.824 4.019 -0.195 1
1 713 . 18 1 1 A 62 62 GLY CA C 59 45.562 46.303 -0.741 1
1 714 . 18 1 1 A 62 62 GLY N N 59 108.976 110.668 -1.692 1
1 715 . 18 1 1 A 63 63 TYR H H 60 7.283 8.066 -0.783 1
1 716 . 18 1 1 A 63 63 TYR HA H 60 4.619 4.668 -0.049 1
1 723 . 18 1 1 A 63 63 TYR CA C 60 60.412 57.987 2.425 1
1 724 . 18 1 1 A 63 63 TYR CB C 60 40.339 40.441 -0.102 1
1 727 . 18 1 1 A 63 63 TYR N N 60 117.859 119.031 -1.172 1
1 728 . 18 1 1 A 64 64 ARG H H 61 9.296 8.584 0.712 1
1 729 . 18 1 1 A 64 64 ARG HA H 61 5.634 5.488 0.146 1
1 736 . 18 1 1 A 64 64 ARG CA C 61 54.114 54.303 -0.189 1
1 737 . 18 1 1 A 64 64 ARG CB C 61 33.245 34.887 -1.642 1
1 740 . 18 1 1 A 64 64 ARG N N 61 117.912 119.484 -1.572 1
1 741 . 18 1 1 A 65 65 LEU H H 62 9.077 8.779 0.298 1
1 742 . 18 1 1 A 65 65 LEU HA H 62 5.459 4.995 0.464 1
1 752 . 18 1 1 A 65 65 LEU CA C 62 54.114 54.653 -0.539 1
1 753 . 18 1 1 A 65 65 LEU CB C 62 46.977 46.177 0.800 1
1 757 . 18 1 1 A 65 65 LEU N N 62 123.590 123.609 -0.019 1
1 758 . 18 1 1 A 66 66 VAL H H 63 8.729 8.685 0.044 1
1 759 . 18 1 1 A 66 66 VAL HA H 63 5.206 5.120 0.086 1
1 767 . 18 1 1 A 66 66 VAL CA C 63 60.112 60.677 -0.565 1
1 768 . 18 1 1 A 66 66 VAL CB C 63 34.296 34.515 -0.219 1
1 771 . 18 1 1 A 66 66 VAL N N 63 123.237 125.738 -2.501 1
1 772 . 18 1 1 A 67 67 TYR H H 64 8.976 8.776 0.200 1
1 773 . 18 1 1 A 67 67 TYR HA H 64 5.745 5.247 0.498 1
1 780 . 18 1 1 A 67 67 TYR CA C 64 53.968 55.752 -1.784 1
1 781 . 18 1 1 A 67 67 TYR CB C 64 42.534 41.059 1.475 1
1 784 . 18 1 1 A 67 67 TYR N N 64 124.227 123.108 1.119 1
1 785 . 18 1 1 A 68 68 GLN H H 65 9.696 8.801 0.895 1
1 786 . 18 1 1 A 68 68 GLN HA H 65 5.640 5.211 0.429 1
1 793 . 18 1 1 A 68 68 GLN CA C 65 52.933 54.268 -1.335 1
1 794 . 18 1 1 A 68 68 GLN CB C 65 33.585 32.477 1.108 1
1 796 . 18 1 1 A 68 68 GLN N N 65 122.541 120.247 2.294 1
1 798 . 18 1 1 A 69 69 VAL H H 66 9.050 9.418 -0.368 1
1 799 . 18 1 1 A 69 69 VAL HA H 66 4.513 4.539 -0.026 1
1 807 . 18 1 1 A 69 69 VAL CA C 66 62.534 62.552 -0.018 1
1 808 . 18 1 1 A 69 69 VAL CB C 66 33.052 31.236 1.816 1
1 811 . 18 1 1 A 69 69 VAL N N 66 127.437 126.723 0.714 1
1 812 . 18 1 1 A 70 70 ILE H H 67 9.385 9.123 0.262 1
1 813 . 18 1 1 A 70 70 ILE HA H 67 4.475 4.452 0.023 1
1 823 . 18 1 1 A 70 70 ILE CA C 67 59.863 61.024 -1.161 1
1 824 . 18 1 1 A 70 70 ILE CB C 67 37.487 37.386 0.101 1
1 828 . 18 1 1 A 70 70 ILE N N 67 129.296 128.429 0.867 1
1 829 . 18 1 1 A 71 71 ASP H H 68 9.343 9.062 0.281 1
1 830 . 18 1 1 A 71 71 ASP HA H 68 4.595 4.525 0.070 1
1 833 . 18 1 1 A 71 71 ASP CA C 68 58.841 57.458 1.383 1
1 834 . 18 1 1 A 71 71 ASP CB C 68 40.637 40.701 -0.064 1
1 835 . 18 1 1 A 71 71 ASP N N 68 128.749 129.174 -0.425 1
1 836 . 18 1 1 A 72 72 GLU H H 69 9.718 9.069 0.649 1
1 837 . 18 1 1 A 72 72 GLU HA H 69 4.124 4.114 0.010 1
1 842 . 18 1 1 A 72 72 GLU CA C 69 59.335 58.555 0.780 1
1 843 . 18 1 1 A 72 72 GLU CB C 69 29.131 28.096 1.035 1
1 845 . 18 1 1 A 72 72 GLU N N 69 118.929 117.137 1.792 1
1 846 . 18 1 1 A 73 73 LYS H H 70 6.653 7.762 -1.109 1
1 847 . 18 1 1 A 73 73 LYS HA H 70 4.517 4.435 0.082 1
1 856 . 18 1 1 A 73 73 LYS CA C 70 54.587 55.885 -1.298 1
1 857 . 18 1 1 A 73 73 LYS CB C 70 33.843 33.800 0.043 1
1 861 . 18 1 1 A 73 73 LYS N N 70 114.113 118.270 -4.157 1
1 862 . 18 1 1 A 74 74 VAL H H 71 7.832 7.734 0.098 1
1 863 . 18 1 1 A 74 74 VAL HA H 71 3.012 3.627 -0.615 1
1 871 . 18 1 1 A 74 74 VAL CA C 71 63.090 63.540 -0.450 1
1 872 . 18 1 1 A 74 74 VAL CB C 71 29.226 29.241 -0.015 1
1 875 . 18 1 1 A 74 74 VAL N N 71 119.223 116.834 2.389 1
1 876 . 18 1 1 A 75 75 VAL H H 72 7.732 7.663 0.069 1
1 877 . 18 1 1 A 75 75 VAL HA H 72 4.950 5.000 -0.050 1
1 885 . 18 1 1 A 75 75 VAL CA C 72 60.455 60.841 -0.386 1
1 886 . 18 1 1 A 75 75 VAL CB C 72 37.925 35.782 2.143 1
1 889 . 18 1 1 A 75 75 VAL N N 72 117.190 121.123 -3.933 1
1 890 . 18 1 1 A 76 76 VAL H H 73 9.026 9.061 -0.035 1
1 891 . 18 1 1 A 76 76 VAL HA H 73 4.349 4.734 -0.385 1
1 899 . 18 1 1 A 76 76 VAL CA C 73 62.527 61.565 0.962 1
1 900 . 18 1 1 A 76 76 VAL CB C 73 32.882 31.767 1.115 1
1 903 . 18 1 1 A 76 76 VAL N N 73 128.347 127.929 0.418 1
1 904 . 18 1 1 A 77 77 PHE H H 74 9.629 9.180 0.449 1
1 905 . 18 1 1 A 77 77 PHE HA H 74 5.898 4.946 0.952 1
1 913 . 18 1 1 A 77 77 PHE CA C 74 51.863 55.970 -4.107 1
1 914 . 18 1 1 A 77 77 PHE CB C 74 40.214 40.262 -0.048 1
1 918 . 18 1 1 A 77 77 PHE N N 74 128.802 129.093 -0.291 1
1 919 . 18 1 1 A 78 78 VAL H H 75 9.535 8.685 0.850 1
1 920 . 18 1 1 A 78 78 VAL HA H 75 3.712 3.794 -0.082 1
1 928 . 18 1 1 A 78 78 VAL CA C 75 63.939 63.117 0.822 1
1 929 . 18 1 1 A 78 78 VAL CB C 75 31.079 30.546 0.533 1
1 932 . 18 1 1 A 78 78 VAL N N 75 128.588 127.612 0.976 1
1 933 . 18 1 1 A 79 79 ILE H H 76 8.515 8.656 -0.141 1
1 934 . 18 1 1 A 79 79 ILE HA H 76 3.443 3.696 -0.253 1
1 944 . 18 1 1 A 79 79 ILE CA C 76 61.950 62.445 -0.495 1
1 945 . 18 1 1 A 79 79 ILE CB C 76 40.800 38.395 2.405 1
1 949 . 18 1 1 A 79 79 ILE N N 76 126.287 128.712 -2.425 1
1 950 . 18 1 1 A 80 80 SER H H 77 7.180 7.444 -0.264 1
1 951 . 18 1 1 A 80 80 SER HA H 77 4.506 5.008 -0.502 1
1 954 . 18 1 1 A 80 80 SER CA C 77 57.464 57.707 -0.243 1
1 955 . 18 1 1 A 80 80 SER CB C 77 64.912 67.165 -2.253 1
1 956 . 18 1 1 A 80 80 SER N N 77 111.625 114.247 -2.622 1
1 957 . 18 1 1 A 81 81 VAL H H 78 8.641 8.504 0.137 1
1 958 . 18 1 1 A 81 81 VAL HA H 78 5.066 4.986 0.080 1
1 966 . 18 1 1 A 81 81 VAL CA C 78 60.913 60.922 -0.009 1
1 967 . 18 1 1 A 81 81 VAL CB C 78 35.010 35.296 -0.286 1
1 970 . 18 1 1 A 81 81 VAL N N 78 126.742 122.665 4.077 1
1 971 . 18 1 1 A 82 82 GLY H H 79 8.658 8.458 0.200 1
1 972 . 18 1 1 A 82 82 GLY HA2 H 79 4.370 4.274 0.096 1
1 973 . 18 1 1 A 82 82 GLY HA3 H 79 4.160 4.451 -0.291 1
1 974 . 18 1 1 A 82 82 GLY CA C 79 46.036 44.401 1.635 1
1 975 . 18 1 1 A 82 82 GLY N N 79 111.223 112.097 -0.874 1
1 976 . 18 1 1 A 83 83 LYS H H 80 8.569 8.318 0.251 1
1 977 . 18 1 1 A 83 83 LYS HA H 80 4.369 4.506 -0.137 1
1 986 . 18 1 1 A 83 83 LYS CA C 80 54.855 55.297 -0.442 1
1 987 . 18 1 1 A 83 83 LYS CB C 80 34.866 32.023 2.843 1
1 991 . 18 1 1 A 83 83 LYS N N 80 121.257 120.532 0.725 1
1 992 . 18 1 1 A 84 84 ALA H H 81 8.334 8.296 0.038 1
1 993 . 18 1 1 A 84 84 ALA HA H 81 4.274 4.451 -0.177 1
1 997 . 18 1 1 A 84 84 ALA CA C 81 52.003 51.467 0.536 1
1 998 . 18 1 1 A 84 84 ALA CB C 81 19.185 18.623 0.562 1
1 999 . 18 1 1 A 84 84 ALA N N 81 126.662 128.016 -1.354 1
1 1000 . 18 1 1 A 85 85 GLU H H 82 8.638 8.174 0.464 1
1 1001 . 18 1 1 A 85 85 GLU HA H 82 4.214 4.234 -0.020 1
1 1006 . 18 1 1 A 85 85 GLU CA C 82 56.366 56.480 -0.114 1
1 1007 . 18 1 1 A 85 85 GLU CB C 82 30.238 29.340 0.898 1
1 1009 . 18 1 1 A 85 85 GLU N N 82 121.819 124.069 -2.250 1
1 1010 . 18 1 1 A 86 86 ALA H H 83 8.462 8.405 0.057 1
1 1011 . 18 1 1 A 86 86 ALA HA H 83 4.341 4.538 -0.197 1
1 1015 . 18 1 1 A 86 86 ALA CA C 83 52.156 51.811 0.345 1
1 1016 . 18 1 1 A 86 86 ALA CB C 83 19.206 19.837 -0.631 1
1 1017 . 18 1 1 A 86 86 ALA N N 83 125.350 126.204 -0.854 1
1 1018 . 18 1 1 A 87 87 SER H H 84 8.309 7.856 0.453 1
1 1019 . 18 1 1 A 87 87 SER HA H 84 4.400 4.372 0.028 1
1 1022 . 18 1 1 A 87 87 SER CA C 84 58.058 60.148 -2.090 1
1 1023 . 18 1 1 A 87 87 SER CB C 84 63.845 63.848 -0.003 1
1 1024 . 18 1 1 A 87 87 SER N N 84 115.397 111.961 3.436 1
1 1025 . 18 1 1 A 88 88 GLU H H 85 8.443 8.117 0.326 1
1 1026 . 18 1 1 A 88 88 GLU HA H 85 4.318 4.076 0.242 1
1 1031 . 18 1 1 A 88 88 GLU CA C 85 56.465 56.705 -0.240 1
1 1032 . 18 1 1 A 88 88 GLU CB C 85 30.464 29.936 0.528 1
1 1034 . 18 1 1 A 88 88 GLU N N 85 122.947 118.030 4.917 1
1 1035 . 18 1 1 A 89 89 VAL H H 86 8.098 7.547 0.551 1
1 1036 . 18 1 1 A 89 89 VAL HA H 86 4.044 3.719 0.325 1
1 1044 . 18 1 1 A 89 89 VAL CA C 86 62.293 64.894 -2.601 1
1 1045 . 18 1 1 A 89 89 VAL CB C 86 32.703 31.634 1.069 1
1 1048 . 18 1 1 A 89 89 VAL N N 86 120.884 120.490 0.394 1
1 1049 . 18 1 1 A 90 90 TYR H H 87 8.313 7.692 0.621 1
1 1050 . 18 1 1 A 90 90 TYR HA H 87 4.623 4.575 0.048 1
1 1057 . 18 1 1 A 90 90 TYR CA C 87 57.791 58.363 -0.572 1
1 1058 . 18 1 1 A 90 90 TYR CB C 87 38.795 37.569 1.226 1
1 1061 . 18 1 1 A 90 90 TYR N N 87 124.634 120.872 3.762 1
1 1062 . 18 1 1 A 91 91 SER H H 88 8.140 7.547 0.593 1
1 1063 . 18 1 1 A 91 91 SER HA H 88 4.411 4.373 0.038 1
1 1066 . 18 1 1 A 91 91 SER CA C 88 58.396 61.274 -2.878 1
1 1067 . 18 1 1 A 91 91 SER CB C 88 63.703 62.904 0.799 1
1 1068 . 18 1 1 A 91 91 SER N N 88 118.447 116.937 1.510 1
1 1069 . 18 1 1 A 92 92 GLU H H 89 8.400 7.414 0.986 1
1 1070 . 18 1 1 A 92 92 GLU HA H 89 4.245 4.381 -0.136 1
1 1075 . 18 1 1 A 92 92 GLU CA C 89 56.465 58.456 -1.991 1
1 1076 . 18 1 1 A 92 92 GLU CB C 89 29.471 30.612 -1.141 1
1 1078 . 18 1 1 A 92 92 GLU N N 89 122.947 118.588 4.359 1
1 1079 . 18 1 1 A 93 93 ALA H H 90 8.224 8.126 0.098 1
1 1080 . 18 1 1 A 93 93 ALA HA H 90 4.287 4.278 0.009 1
1 1084 . 18 1 1 A 93 93 ALA CA C 90 52.598 52.269 0.329 1
1 1085 . 18 1 1 A 93 93 ALA CB C 90 18.864 19.316 -0.452 1
1 1086 . 18 1 1 A 93 93 ALA N N 90 124.404 122.950 1.454 1
1 1087 . 18 1 1 A 94 94 VAL H H 91 7.971 8.518 -0.547 1
1 1088 . 18 1 1 A 94 94 VAL HA H 91 4.060 4.437 -0.377 1
1 1096 . 18 1 1 A 94 94 VAL CA C 91 62.072 61.664 0.408 1
1 1097 . 18 1 1 A 94 94 VAL CB C 91 32.601 33.845 -1.244 1
1 1100 . 18 1 1 A 94 94 VAL N N 91 119.330 121.544 -2.214 1
1 1101 . 18 1 1 A 95 95 LYS H H 92 8.271 8.517 -0.246 1
1 1102 . 18 1 1 A 95 95 LYS HA H 92 4.313 4.156 0.157 1
1 1111 . 18 1 1 A 95 95 LYS CA C 92 56.078 58.296 -2.218 1
1 1112 . 18 1 1 A 95 95 LYS CB C 92 32.924 32.892 0.032 1
1 1116 . 18 1 1 A 95 95 LYS N N 92 124.941 122.271 2.670 1
1 1117 . 18 1 1 A 96 96 ARG H H 93 8.317 7.819 0.498 1
1 1118 . 18 1 1 A 96 96 ARG HA H 93 4.360 4.634 -0.274 1
1 1125 . 18 1 1 A 96 96 ARG CA C 93 55.901 54.851 1.050 1
1 1126 . 18 1 1 A 96 96 ARG CB C 93 30.906 31.282 -0.376 1
1 1129 . 18 1 1 A 96 96 ARG N N 93 122.918 117.412 5.506 1
1 1130 . 18 1 1 A 97 97 ILE H H 94 8.251 8.847 -0.596 1
1 1131 . 18 1 1 A 97 97 ILE HA H 94 4.184 4.458 -0.274 1
1 1141 . 18 1 1 A 97 97 ILE CA C 94 60.946 60.653 0.293 1
1 1142 . 18 1 1 A 97 97 ILE CB C 94 38.298 37.162 1.136 1
1 1146 . 18 1 1 A 97 97 ILE N N 94 123.301 127.507 -4.206 1
1 1191 . 18 2 2 B 5 5 GLN H H 48 8.533 8.803 -0.270 1
1 1192 . 18 2 2 B 5 5 GLN HA H 48 4.390 4.912 -0.522 1
1 1199 . 18 2 2 B 5 5 GLN C C 48 175.953 175.922 0.031 1
1 1200 . 18 2 2 B 5 5 GLN CA C 48 55.760 54.054 1.706 1
1 1201 . 18 2 2 B 5 5 GLN CB C 48 29.225 31.770 -2.545 1
1 1203 . 18 2 2 B 5 5 GLN N N 48 122.121 124.882 -2.761 1
1 1205 . 18 2 2 B 6 6 THR H H 49 8.281 8.782 -0.501 1
1 1206 . 18 2 2 B 6 6 THR HA H 49 4.316 4.674 -0.358 1
1 1211 . 18 2 2 B 6 6 THR C C 49 174.156 175.065 -0.909 1
1 1212 . 18 2 2 B 6 6 THR CA C 49 61.724 60.963 0.761 1
1 1213 . 18 2 2 B 6 6 THR CB C 49 69.452 70.329 -0.877 1
1 1215 . 18 2 2 B 6 6 THR N N 49 116.639 113.341 3.298 1
1 1216 . 18 2 2 B 7 7 LEU H H 50 8.328 8.549 -0.221 1
1 1217 . 18 2 2 B 7 7 LEU HA H 50 4.381 4.489 -0.108 1
1 1227 . 18 2 2 B 7 7 LEU C C 50 176.985 175.712 1.273 1
1 1228 . 18 2 2 B 7 7 LEU CA C 50 55.093 54.582 0.511 1
1 1229 . 18 2 2 B 7 7 LEU CB C 50 42.122 41.709 0.413 1
1 1233 . 18 2 2 B 7 7 LEU N N 50 125.001 119.387 5.614 1
1 1234 . 18 2 2 B 8 8 LEU H H 51 8.264 7.559 0.705 1
1 1235 . 18 2 2 B 8 8 LEU HA H 51 4.410 4.882 -0.472 1
1 1245 . 18 2 2 B 8 8 LEU C C 51 177.235 175.166 2.069 1
1 1246 . 18 2 2 B 8 8 LEU CA C 51 54.936 53.214 1.722 1
1 1247 . 18 2 2 B 8 8 LEU CB C 51 42.292 46.274 -3.982 1
1 1251 . 18 2 2 B 8 8 LEU N N 51 123.073 116.665 6.408 1
1 1252 . 18 2 2 B 9 9 SER H H 52 8.499 9.569 -1.070 1
1 1253 . 18 2 2 B 9 9 SER HA H 52 4.410 4.577 -0.167 1
1 1256 . 18 2 2 B 9 9 SER C C 52 174.083 174.449 -0.366 1
1 1257 . 18 2 2 B 9 9 SER CA C 52 57.757 59.405 -1.648 1
1 1258 . 18 2 2 B 9 9 SER CB C 52 63.734 64.262 -0.528 1
1 1259 . 18 2 2 B 9 9 SER N N 52 117.150 114.930 2.220 1
1 1260 . 18 2 2 B 10 10 ASP H H 53 8.416 8.123 0.293 1
1 1261 . 18 2 2 B 10 10 ASP HA H 53 4.575 4.959 -0.384 1
1 1264 . 18 2 2 B 10 10 ASP C C 53 176.911 177.357 -0.446 1
1 1265 . 18 2 2 B 10 10 ASP CA C 53 54.678 54.431 0.247 1
1 1266 . 18 2 2 B 10 10 ASP CB C 53 40.771 43.949 -3.178 1
1 1267 . 18 2 2 B 10 10 ASP N N 53 122.632 120.072 2.560 1
1 1268 . 18 2 2 B 11 11 GLU H H 54 8.486 8.281 0.205 1
1 1269 . 18 2 2 B 11 11 GLU HA H 54 4.155 4.049 0.106 1
1 1274 . 18 2 2 B 11 11 GLU C C 54 177.220 178.026 -0.806 1
1 1275 . 18 2 2 B 11 11 GLU CA C 54 58.488 59.449 -0.961 1
1 1276 . 18 2 2 B 11 11 GLU CB C 54 29.615 29.154 0.461 1
1 1278 . 18 2 2 B 11 11 GLU N N 54 121.842 117.504 4.338 1
1 1279 . 18 2 2 B 12 12 ASP H H 55 8.301 8.767 -0.466 1
1 1280 . 18 2 2 B 12 12 ASP HA H 55 4.470 4.358 0.112 1
1 1283 . 18 2 2 B 12 12 ASP C C 55 177.161 178.188 -1.027 1
1 1284 . 18 2 2 B 12 12 ASP CA C 55 55.901 56.707 -0.806 1
1 1285 . 18 2 2 B 12 12 ASP CB C 55 40.503 39.543 0.960 1
1 1286 . 18 2 2 B 12 12 ASP N N 55 120.309 119.686 0.623 1
1 1287 . 18 2 2 B 13 13 ALA H H 56 8.114 7.895 0.219 1
1 1288 . 18 2 2 B 13 13 ALA HA H 56 3.986 4.078 -0.092 1
1 1292 . 18 2 2 B 13 13 ALA C C 56 180.446 179.702 0.744 1
1 1293 . 18 2 2 B 13 13 ALA CA C 56 55.422 54.351 1.071 1
1 1294 . 18 2 2 B 13 13 ALA CB C 56 18.001 18.158 -0.157 1
1 1295 . 18 2 2 B 13 13 ALA N N 56 122.864 121.430 1.434 1
1 1296 . 18 2 2 B 14 14 GLU H H 57 8.105 7.871 0.234 1
1 1297 . 18 2 2 B 14 14 GLU HA H 57 4.010 4.140 -0.130 1
1 1302 . 18 2 2 B 14 14 GLU C C 57 178.914 178.864 0.050 1
1 1303 . 18 2 2 B 14 14 GLU CA C 57 59.175 58.380 0.795 1
1 1304 . 18 2 2 B 14 14 GLU CB C 57 28.904 29.742 -0.838 1
1 1306 . 18 2 2 B 14 14 GLU N N 57 117.931 118.411 -0.480 1
1 1307 . 18 2 2 B 15 15 LEU H H 58 7.813 7.816 -0.003 1
1 1308 . 18 2 2 B 15 15 LEU HA H 58 4.062 4.053 0.009 1
1 1318 . 18 2 2 B 15 15 LEU C C 58 178.634 179.467 -0.833 1
1 1319 . 18 2 2 B 15 15 LEU CA C 58 56.960 58.013 -1.053 1
1 1320 . 18 2 2 B 15 15 LEU CB C 58 41.973 41.539 0.434 1
1 1324 . 18 2 2 B 15 15 LEU N N 58 119.867 120.156 -0.289 1
1 1325 . 18 2 2 B 16 16 VAL H H 59 8.491 7.610 0.881 1
1 1326 . 18 2 2 B 16 16 VAL HA H 59 3.365 3.857 -0.492 1
1 1334 . 18 2 2 B 16 16 VAL C C 59 177.147 177.562 -0.415 1
1 1335 . 18 2 2 B 16 16 VAL CA C 59 67.142 65.359 1.783 1
1 1336 . 18 2 2 B 16 16 VAL CB C 59 31.176 31.442 -0.266 1
1 1339 . 18 2 2 B 16 16 VAL N N 59 118.357 115.298 3.059 1
1 1340 . 18 2 2 B 17 17 GLU H H 60 7.411 8.410 -0.999 1
1 1341 . 18 2 2 B 17 17 GLU HA H 60 4.015 4.097 -0.082 1
1 1346 . 18 2 2 B 17 17 GLU C C 60 179.636 178.482 1.154 1
1 1347 . 18 2 2 B 17 17 GLU CA C 60 59.203 59.033 0.170 1
1 1348 . 18 2 2 B 17 17 GLU CB C 60 28.970 29.183 -0.213 1
1 1350 . 18 2 2 B 17 17 GLU N N 60 117.103 120.425 -3.322 1
1 1351 . 18 2 2 B 18 18 ILE H H 61 7.574 7.759 -0.185 1
1 1352 . 18 2 2 B 18 18 ILE HA H 61 3.830 3.694 0.136 1
1 1362 . 18 2 2 B 18 18 ILE C C 61 178.001 178.348 -0.347 1
1 1363 . 18 2 2 B 18 18 ILE CA C 61 63.982 65.096 -1.114 1
1 1364 . 18 2 2 B 18 18 ILE CB C 61 38.483 37.639 0.844 1
1 1368 . 18 2 2 B 18 18 ILE N N 61 120.727 121.606 -0.879 1
1 1369 . 18 2 2 B 19 19 VAL H H 62 8.294 8.081 0.213 1
1 1370 . 18 2 2 B 19 19 VAL HA H 62 3.360 3.477 -0.117 1
1 1378 . 18 2 2 B 19 19 VAL C C 62 177.338 177.860 -0.522 1
1 1379 . 18 2 2 B 19 19 VAL CA C 62 66.364 66.989 -0.625 1
1 1380 . 18 2 2 B 19 19 VAL CB C 62 31.203 31.648 -0.445 1
1 1383 . 18 2 2 B 19 19 VAL N N 62 119.635 119.992 -0.357 1
1 1384 . 18 2 2 B 20 20 LYS H H 63 8.780 8.243 0.537 1
1 1385 . 18 2 2 B 20 20 LYS HA H 63 3.784 4.006 -0.222 1
1 1394 . 18 2 2 B 20 20 LYS C C 63 179.209 178.654 0.555 1
1 1395 . 18 2 2 B 20 20 LYS CA C 63 60.096 58.670 1.426 1
1 1396 . 18 2 2 B 20 20 LYS CB C 63 32.673 31.809 0.864 1
1 1400 . 18 2 2 B 20 20 LYS N N 63 118.009 120.540 -2.531 1
1 1401 . 18 2 2 B 21 21 GLU H H 64 7.567 7.676 -0.109 1
1 1402 . 18 2 2 B 21 21 GLU HA H 64 4.084 4.081 0.003 1
1 1407 . 18 2 2 B 21 21 GLU C C 64 179.592 179.049 0.543 1
1 1408 . 18 2 2 B 21 21 GLU CA C 64 58.728 59.097 -0.369 1
1 1409 . 18 2 2 B 21 21 GLU CB C 64 28.974 29.621 -0.647 1
1 1411 . 18 2 2 B 21 21 GLU N N 64 117.452 119.837 -2.385 1
1 1412 . 18 2 2 B 22 22 ARG H H 65 8.156 8.185 -0.029 1
1 1413 . 18 2 2 B 22 22 ARG HA H 65 4.053 4.065 -0.012 1
1 1420 . 18 2 2 B 22 22 ARG C C 65 177.986 179.419 -1.433 1
1 1421 . 18 2 2 B 22 22 ARG CA C 65 61.243 58.861 2.382 1
1 1422 . 18 2 2 B 22 22 ARG CB C 65 29.980 29.965 0.015 1
1 1425 . 18 2 2 B 22 22 ARG N N 65 119.635 118.794 0.841 1
1 1426 . 18 2 2 B 23 23 LEU H H 66 8.436 8.296 0.140 1
1 1427 . 18 2 2 B 23 23 LEU HA H 66 4.106 4.070 0.036 1
1 1437 . 18 2 2 B 23 23 LEU C C 66 178.620 178.498 0.122 1
1 1438 . 18 2 2 B 23 23 LEU CA C 66 56.667 57.494 -0.827 1
1 1439 . 18 2 2 B 23 23 LEU CB C 66 41.465 41.372 0.093 1
1 1443 . 18 2 2 B 23 23 LEU N N 66 115.686 121.717 -6.031 1
1 1444 . 18 2 2 B 24 24 ARG H H 67 7.404 8.620 -1.216 1
1 1445 . 18 2 2 B 24 24 ARG HA H 67 4.165 4.094 0.070 1
1 1452 . 18 2 2 B 24 24 ARG C C 67 177.147 176.650 0.497 1
1 1453 . 18 2 2 B 24 24 ARG CA C 67 59.004 58.866 0.138 1
1 1454 . 18 2 2 B 24 24 ARG CB C 67 30.472 29.956 0.516 1
1 1457 . 18 2 2 B 24 24 ARG N N 67 118.427 116.808 1.619 1
1 1458 . 18 2 2 B 25 25 ASN H H 68 7.322 7.809 -0.487 1
1 1459 . 18 2 2 B 25 25 ASN HA H 68 5.064 5.246 -0.182 1
1 1464 . 18 2 2 B 25 25 ASN CA C 68 51.014 50.462 0.552 1
1 1465 . 18 2 2 B 25 25 ASN CB C 68 38.696 38.904 -0.208 1
1 1466 . 18 2 2 B 25 25 ASN N N 68 114.083 117.617 -3.534 1
1 1468 . 18 2 2 B 26 26 PRO HA H 69 4.521 4.468 0.053 1
1 1475 . 18 2 2 B 26 26 PRO C C 69 177.323 176.747 0.576 1
1 1476 . 18 2 2 B 26 26 PRO CA C 69 63.698 64.060 -0.362 1
1 1477 . 18 2 2 B 26 26 PRO CB C 69 33.286 31.970 1.316 1
1 1480 . 18 2 2 B 27 27 LYS H H 70 8.672 7.919 0.753 1
1 1481 . 18 2 2 B 27 27 LYS HA H 70 4.980 3.908 1.072 1
1 1490 . 18 2 2 B 27 27 LYS CA C 70 52.767 56.642 -3.875 1
1 1491 . 18 2 2 B 27 27 LYS CB C 70 33.540 30.703 2.837 1
1 1495 . 18 2 2 B 27 27 LYS N N 70 121.210 116.348 4.862 1
1 1496 . 18 2 2 B 28 28 PRO HA H 71 4.467 4.630 -0.163 1
1 1503 . 18 2 2 B 28 28 PRO C C 71 177.235 175.517 1.718 1
1 1504 . 18 2 2 B 28 28 PRO CA C 71 63.859 62.597 1.262 1
1 1505 . 18 2 2 B 28 28 PRO CB C 71 32.632 32.723 -0.091 1
1 1508 . 18 2 2 B 29 29 VAL H H 72 9.036 8.474 0.562 1
1 1509 . 18 2 2 B 29 29 VAL HA H 72 4.155 4.539 -0.384 1
1 1517 . 18 2 2 B 29 29 VAL C C 72 174.554 174.981 -0.427 1
1 1518 . 18 2 2 B 29 29 VAL CA C 72 61.506 61.044 0.462 1
1 1519 . 18 2 2 B 29 29 VAL CB C 72 34.764 34.431 0.333 1
1 1522 . 18 2 2 B 29 29 VAL N N 72 124.322 121.444 2.878 1
1 1523 . 18 2 2 B 30 30 ARG H H 73 8.437 8.693 -0.256 1
1 1524 . 18 2 2 B 30 30 ARG HA H 73 5.195 4.517 0.678 1
1 1531 . 18 2 2 B 30 30 ARG C C 73 176.248 176.199 0.049 1
1 1532 . 18 2 2 B 30 30 ARG CA C 73 55.189 56.684 -1.495 1
1 1533 . 18 2 2 B 30 30 ARG CB C 73 27.764 30.702 -2.938 1
1 1536 . 18 2 2 B 30 30 ARG N N 73 129.461 128.440 1.021 1
1 1537 . 18 2 2 B 31 31 VAL H H 74 8.822 8.849 -0.027 1
1 1538 . 18 2 2 B 31 31 VAL HA H 74 4.889 5.252 -0.363 1
1 1546 . 18 2 2 B 31 31 VAL C C 74 173.965 174.067 -0.102 1
1 1547 . 18 2 2 B 31 31 VAL CA C 74 59.055 59.430 -0.375 1
1 1548 . 18 2 2 B 31 31 VAL CB C 74 35.653 36.081 -0.428 1
1 1551 . 18 2 2 B 31 31 VAL N N 74 123.375 120.033 3.342 1
1 1552 . 18 2 2 B 32 32 THR H H 75 7.855 8.343 -0.488 1
1 1553 . 18 2 2 B 32 32 THR HA H 75 4.730 5.057 -0.327 1
1 1558 . 18 2 2 B 32 32 THR C C 75 175.865 175.196 0.669 1
1 1559 . 18 2 2 B 32 32 THR CA C 75 59.052 59.124 -0.072 1
1 1560 . 18 2 2 B 32 32 THR CB C 75 71.228 71.930 -0.702 1
1 1562 . 18 2 2 B 32 32 THR N N 75 109.507 110.358 -0.851 1
1 1563 . 18 2 2 B 33 33 LEU H H 76 8.841 8.896 -0.055 1
1 1564 . 18 2 2 B 33 33 LEU HA H 76 3.773 4.073 -0.300 1
1 1574 . 18 2 2 B 33 33 LEU C C 76 178.737 178.719 0.018 1
1 1575 . 18 2 2 B 33 33 LEU CA C 76 57.892 57.470 0.422 1
1 1576 . 18 2 2 B 33 33 LEU CB C 76 41.057 41.432 -0.375 1
1 1580 . 18 2 2 B 33 33 LEU N N 76 121.099 122.165 -1.066 1
1 1581 . 18 2 2 B 34 34 ASP H H 77 7.983 8.144 -0.161 1
1 1582 . 18 2 2 B 34 34 ASP HA H 77 4.431 4.385 0.046 1
1 1585 . 18 2 2 B 34 34 ASP C C 77 177.088 177.579 -0.491 1
1 1586 . 18 2 2 B 34 34 ASP CA C 77 55.837 56.707 -0.870 1
1 1587 . 18 2 2 B 34 34 ASP CB C 77 40.498 40.929 -0.431 1
1 1588 . 18 2 2 B 34 34 ASP N N 77 113.851 119.723 -5.872 1
1 1589 . 18 2 2 B 35 35 GLU H H 78 7.561 8.158 -0.597 1
1 1590 . 18 2 2 B 35 35 GLU HA H 78 4.320 4.346 -0.026 1
1 1595 . 18 2 2 B 35 35 GLU C C 78 175.482 176.478 -0.996 1
1 1596 . 18 2 2 B 35 35 GLU CA C 78 55.918 56.580 -0.662 1
1 1597 . 18 2 2 B 35 35 GLU CB C 78 30.767 29.590 1.177 1
1 1599 . 18 2 2 B 35 35 GLU N N 78 117.508 115.528 1.980 1
1 15 . 19 1 1 A 5 5 ALA H H 2 8.098 8.072 0.026 1
1 16 . 19 1 1 A 5 5 ALA HA H 2 4.389 4.021 0.368 1
1 20 . 19 1 1 A 5 5 ALA CA C 2 51.852 54.772 -2.920 1
1 21 . 19 1 1 A 5 5 ALA CB C 2 19.420 18.838 0.582 1
1 22 . 19 1 1 A 5 5 ALA N N 2 125.572 125.552 0.020 1
1 23 . 19 1 1 A 6 6 TYR H H 3 8.402 7.635 0.767 1
1 24 . 19 1 1 A 6 6 TYR HA H 3 4.236 4.553 -0.317 1
1 31 . 19 1 1 A 6 6 TYR CA C 3 57.802 57.697 0.105 1
1 32 . 19 1 1 A 6 6 TYR CB C 3 39.608 39.365 0.243 1
1 35 . 19 1 1 A 6 6 TYR N N 3 120.730 114.981 5.749 1
1 36 . 19 1 1 A 7 7 PHE H H 4 8.958 8.978 -0.020 1
1 37 . 19 1 1 A 7 7 PHE HA H 4 4.509 4.941 -0.432 1
1 45 . 19 1 1 A 7 7 PHE CA C 4 57.936 57.941 -0.005 1
1 46 . 19 1 1 A 7 7 PHE CB C 4 40.613 40.300 0.313 1
1 50 . 19 1 1 A 7 7 PHE N N 4 118.436 121.693 -3.257 1
1 51 . 19 1 1 A 8 8 LEU H H 5 8.711 8.785 -0.074 1
1 52 . 19 1 1 A 8 8 LEU HA H 5 5.336 5.339 -0.003 1
1 62 . 19 1 1 A 8 8 LEU CA C 5 53.391 53.603 -0.212 1
1 63 . 19 1 1 A 8 8 LEU CB C 5 44.716 46.230 -1.514 1
1 67 . 19 1 1 A 8 8 LEU N N 5 122.810 121.722 1.088 1
1 68 . 19 1 1 A 9 9 ASP H H 6 9.145 8.862 0.283 1
1 69 . 19 1 1 A 9 9 ASP HA H 6 5.999 5.469 0.530 1
1 72 . 19 1 1 A 9 9 ASP CA C 6 51.759 52.976 -1.217 1
1 73 . 19 1 1 A 9 9 ASP CB C 6 44.757 45.594 -0.837 1
1 74 . 19 1 1 A 9 9 ASP N N 6 124.570 125.276 -0.706 1
1 75 . 19 1 1 A 10 10 PHE H H 7 9.884 9.356 0.528 1
1 76 . 19 1 1 A 10 10 PHE HA H 7 5.231 5.164 0.067 1
1 83 . 19 1 1 A 10 10 PHE CA C 7 55.321 56.791 -1.470 1
1 84 . 19 1 1 A 10 10 PHE CB C 7 42.863 42.895 -0.032 1
1 88 . 19 1 1 A 10 10 PHE N N 7 123.156 119.918 3.238 1
1 89 . 19 1 1 A 11 11 ASP H H 8 8.986 8.711 0.275 1
1 90 . 19 1 1 A 11 11 ASP HA H 8 4.924 4.735 0.189 1
1 93 . 19 1 1 A 11 11 ASP CA C 8 55.122 55.038 0.084 1
1 94 . 19 1 1 A 11 11 ASP CB C 8 44.453 42.556 1.897 1
1 95 . 19 1 1 A 11 11 ASP N N 8 123.103 124.249 -1.146 1
1 96 . 19 1 1 A 12 12 GLU H H 9 9.685 9.138 0.547 1
1 97 . 19 1 1 A 12 12 GLU HA H 9 3.984 4.033 -0.049 1
1 102 . 19 1 1 A 12 12 GLU CA C 9 60.974 59.994 0.980 1
1 103 . 19 1 1 A 12 12 GLU CB C 9 31.222 29.589 1.633 1
1 105 . 19 1 1 A 12 12 GLU N N 9 128.730 127.017 1.713 1
1 106 . 19 1 1 A 13 13 ARG H H 10 9.626 8.014 1.612 1
1 107 . 19 1 1 A 13 13 ARG HA H 10 4.063 4.016 0.047 1
1 114 . 19 1 1 A 13 13 ARG CA C 10 59.013 58.927 0.086 1
1 115 . 19 1 1 A 13 13 ARG CB C 10 30.124 29.736 0.388 1
1 118 . 19 1 1 A 13 13 ARG N N 10 117.930 119.996 -2.066 1
1 119 . 19 1 1 A 14 14 ALA H H 11 7.268 8.478 -1.210 1
1 120 . 19 1 1 A 14 14 ALA HA H 11 5.323 4.202 1.121 1
1 124 . 19 1 1 A 14 14 ALA CA C 11 53.013 55.108 -2.095 1
1 125 . 19 1 1 A 14 14 ALA CB C 11 18.072 18.643 -0.571 1
1 126 . 19 1 1 A 14 14 ALA N N 11 122.063 122.509 -0.446 1
1 127 . 19 1 1 A 15 15 LEU H H 12 8.773 8.078 0.695 1
1 128 . 19 1 1 A 15 15 LEU HA H 12 4.318 2.514 1.804 1
1 138 . 19 1 1 A 15 15 LEU CA C 12 57.404 57.482 -0.078 1
1 139 . 19 1 1 A 15 15 LEU CB C 12 41.842 41.159 0.683 1
1 143 . 19 1 1 A 15 15 LEU N N 12 121.956 118.688 3.268 1
1 144 . 19 1 1 A 16 16 LYS H H 13 7.515 7.640 -0.125 1
1 145 . 19 1 1 A 16 16 LYS HA H 13 4.099 3.755 0.344 1
1 154 . 19 1 1 A 16 16 LYS CA C 13 59.837 60.001 -0.164 1
1 155 . 19 1 1 A 16 16 LYS CB C 13 32.297 31.924 0.373 1
1 159 . 19 1 1 A 16 16 LYS N N 13 118.250 117.320 0.930 1
1 160 . 19 1 1 A 17 17 GLU H H 14 7.416 7.804 -0.388 1
1 161 . 19 1 1 A 17 17 GLU HA H 14 3.959 4.041 -0.082 1
1 166 . 19 1 1 A 17 17 GLU CA C 14 59.458 59.397 0.061 1
1 167 . 19 1 1 A 17 17 GLU CB C 14 29.644 29.556 0.088 1
1 169 . 19 1 1 A 17 17 GLU N N 14 118.330 120.134 -1.804 1
1 170 . 19 1 1 A 18 18 TRP H H 15 9.095 8.070 1.025 1
1 171 . 19 1 1 A 18 18 TRP HA H 15 4.013 4.493 -0.480 1
1 178 . 19 1 1 A 18 18 TRP CA C 15 60.476 60.016 0.460 1
1 179 . 19 1 1 A 18 18 TRP CB C 15 29.644 28.039 1.605 1
1 182 . 19 1 1 A 18 18 TRP N N 15 121.770 118.599 3.171 1
1 183 . 19 1 1 A 19 19 ARG H H 16 8.060 7.337 0.723 1
1 184 . 19 1 1 A 19 19 ARG HA H 16 4.030 4.268 -0.238 1
1 191 . 19 1 1 A 19 19 ARG CA C 16 57.993 57.885 0.108 1
1 192 . 19 1 1 A 19 19 ARG CB C 16 29.948 30.255 -0.307 1
1 195 . 19 1 1 A 19 19 ARG N N 16 113.396 120.739 -7.343 1
1 196 . 19 1 1 A 20 20 LYS H H 17 7.274 7.616 -0.342 1
1 197 . 19 1 1 A 20 20 LYS HA H 17 4.311 4.372 -0.061 1
1 206 . 19 1 1 A 20 20 LYS CA C 17 57.183 57.663 -0.480 1
1 207 . 19 1 1 A 20 20 LYS CB C 17 32.106 33.015 -0.909 1
1 211 . 19 1 1 A 20 20 LYS N N 17 116.232 116.548 -0.316 1
1 212 . 19 1 1 A 21 21 LEU H H 18 7.359 7.901 -0.542 1
1 213 . 19 1 1 A 21 21 LEU HA H 18 4.074 4.433 -0.359 1
1 223 . 19 1 1 A 21 21 LEU CA C 18 54.367 54.778 -0.411 1
1 224 . 19 1 1 A 21 21 LEU CB C 18 43.185 42.922 0.263 1
1 228 . 19 1 1 A 21 21 LEU N N 18 119.903 115.856 4.047 1
1 229 . 19 1 1 A 22 22 GLY H H 19 8.455 7.462 0.993 1
1 230 . 19 1 1 A 22 22 GLY HA2 H 19 4.103 4.052 0.051 1
1 231 . 19 1 1 A 22 22 GLY HA3 H 19 3.888 4.085 -0.197 1
1 232 . 19 1 1 A 22 22 GLY CA C 19 44.739 44.062 0.677 1
1 233 . 19 1 1 A 22 22 GLY N N 19 108.063 107.513 0.550 1
1 234 . 19 1 1 A 23 23 SER H H 20 8.711 8.517 0.194 1
1 235 . 19 1 1 A 23 23 SER HA H 20 4.422 4.625 -0.203 1
1 238 . 19 1 1 A 23 23 SER CA C 20 58.325 60.055 -1.730 1
1 239 . 19 1 1 A 23 23 SER CB C 20 63.754 65.038 -1.284 1
1 240 . 19 1 1 A 23 23 SER N N 20 117.509 118.982 -1.473 1
1 241 . 19 1 1 A 24 24 THR H H 21 8.273 7.850 0.423 1
1 242 . 19 1 1 A 24 24 THR HA H 21 4.026 3.987 0.039 1
1 247 . 19 1 1 A 24 24 THR CA C 21 65.605 66.688 -1.083 1
1 248 . 19 1 1 A 24 24 THR CB C 21 68.013 68.457 -0.444 1
1 250 . 19 1 1 A 24 24 THR N N 21 116.047 117.570 -1.523 1
1 251 . 19 1 1 A 25 25 VAL H H 22 7.075 8.086 -1.011 1
1 252 . 19 1 1 A 25 25 VAL HA H 22 3.507 3.408 0.099 1
1 260 . 19 1 1 A 25 25 VAL CA C 22 65.475 66.926 -1.451 1
1 261 . 19 1 1 A 25 25 VAL CB C 22 31.319 31.087 0.232 1
1 264 . 19 1 1 A 25 25 VAL N N 22 122.543 121.371 1.172 1
1 265 . 19 1 1 A 26 26 ARG H H 23 7.781 8.085 -0.304 1
1 266 . 19 1 1 A 26 26 ARG HA H 23 3.116 4.017 -0.901 1
1 273 . 19 1 1 A 26 26 ARG CA C 23 60.215 58.275 1.940 1
1 274 . 19 1 1 A 26 26 ARG CB C 23 30.555 29.671 0.884 1
1 277 . 19 1 1 A 26 26 ARG N N 23 118.490 119.711 -1.221 1
1 278 . 19 1 1 A 27 27 GLU H H 24 8.107 8.071 0.036 1
1 279 . 19 1 1 A 27 27 GLU HA H 24 4.031 4.077 -0.046 1
1 284 . 19 1 1 A 27 27 GLU CA C 24 59.421 58.945 0.476 1
1 285 . 19 1 1 A 27 27 GLU CB C 24 29.126 29.423 -0.297 1
1 287 . 19 1 1 A 27 27 GLU N N 24 116.756 118.923 -2.167 1
1 288 . 19 1 1 A 28 28 GLN H H 25 7.760 7.681 0.079 1
1 289 . 19 1 1 A 28 28 GLN HA H 25 4.097 3.997 0.100 1
1 296 . 19 1 1 A 28 28 GLN CA C 25 59.055 58.760 0.295 1
1 297 . 19 1 1 A 28 28 GLN CB C 25 29.925 28.138 1.787 1
1 299 . 19 1 1 A 28 28 GLN N N 25 118.410 118.558 -0.148 1
1 301 . 19 1 1 A 29 29 LEU H H 26 8.631 8.385 0.246 1
1 302 . 19 1 1 A 29 29 LEU HA H 26 4.145 3.939 0.206 1
1 312 . 19 1 1 A 29 29 LEU CA C 26 57.929 57.946 -0.017 1
1 313 . 19 1 1 A 29 29 LEU CB C 26 42.787 41.558 1.229 1
1 317 . 19 1 1 A 29 29 LEU N N 26 119.716 120.183 -0.467 1
1 318 . 19 1 1 A 30 30 LYS H H 27 9.183 8.009 1.174 1
1 319 . 19 1 1 A 30 30 LYS HA H 27 3.981 3.836 0.145 1
1 328 . 19 1 1 A 30 30 LYS CA C 27 61.364 60.141 1.223 1
1 329 . 19 1 1 A 30 30 LYS CB C 27 32.137 31.937 0.200 1
1 333 . 19 1 1 A 30 30 LYS N N 27 120.836 118.007 2.829 1
1 334 . 19 1 1 A 31 31 LYS H H 28 7.580 7.418 0.162 1
1 335 . 19 1 1 A 31 31 LYS HA H 28 4.050 4.035 0.015 1
1 344 . 19 1 1 A 31 31 LYS CA C 28 59.586 59.705 -0.119 1
1 345 . 19 1 1 A 31 31 LYS CB C 28 32.373 31.959 0.414 1
1 349 . 19 1 1 A 31 31 LYS N N 28 116.783 119.831 -3.048 1
1 350 . 19 1 1 A 32 32 LYS H H 29 7.300 7.596 -0.296 1
1 351 . 19 1 1 A 32 32 LYS HA H 29 4.090 4.388 -0.298 1
1 360 . 19 1 1 A 32 32 LYS CA C 29 57.130 58.501 -1.371 1
1 361 . 19 1 1 A 32 32 LYS N N 29 116.383 119.178 -2.795 1
1 362 . 19 1 1 A 33 33 LEU H H 30 8.722 7.666 1.056 1
1 363 . 19 1 1 A 33 33 LEU HA H 30 3.881 4.059 -0.178 1
1 373 . 19 1 1 A 33 33 LEU CA C 30 57.634 56.844 0.790 1
1 374 . 19 1 1 A 33 33 LEU CB C 30 42.116 41.714 0.402 1
1 378 . 19 1 1 A 33 33 LEU N N 30 121.770 118.606 3.164 1
1 379 . 19 1 1 A 34 34 VAL H H 31 8.067 7.873 0.194 1
1 380 . 19 1 1 A 34 34 VAL HA H 31 3.479 3.808 -0.329 1
1 388 . 19 1 1 A 34 34 VAL CA C 31 66.847 64.573 2.274 1
1 389 . 19 1 1 A 34 34 VAL CB C 31 31.860 31.597 0.263 1
1 392 . 19 1 1 A 34 34 VAL N N 31 118.116 118.730 -0.614 1
1 393 . 19 1 1 A 35 35 GLU H H 32 6.825 7.741 -0.916 1
1 394 . 19 1 1 A 35 35 GLU HA H 32 4.090 4.162 -0.072 1
1 399 . 19 1 1 A 35 35 GLU CA C 32 58.624 58.231 0.393 1
1 400 . 19 1 1 A 35 35 GLU CB C 32 29.746 29.671 0.075 1
1 402 . 19 1 1 A 35 35 GLU N N 32 116.570 120.016 -3.446 1
1 403 . 19 1 1 A 36 36 VAL H H 33 7.785 7.409 0.376 1
1 404 . 19 1 1 A 36 36 VAL HA H 33 3.484 3.861 -0.377 1
1 412 . 19 1 1 A 36 36 VAL CA C 33 65.213 64.691 0.522 1
1 413 . 19 1 1 A 36 36 VAL CB C 33 31.932 31.351 0.581 1
1 416 . 19 1 1 A 36 36 VAL N N 33 120.618 119.963 0.655 1
1 417 . 19 1 1 A 37 37 LEU H H 34 7.956 7.641 0.315 1
1 418 . 19 1 1 A 37 37 LEU HA H 34 3.747 3.973 -0.226 1
1 428 . 19 1 1 A 37 37 LEU CA C 34 57.069 56.751 0.318 1
1 429 . 19 1 1 A 37 37 LEU CB C 34 40.916 41.587 -0.671 1
1 433 . 19 1 1 A 37 37 LEU N N 34 115.476 121.181 -5.705 1
1 434 . 19 1 1 A 38 38 GLU H H 35 7.042 7.843 -0.801 1
1 435 . 19 1 1 A 38 38 GLU HA H 35 4.395 4.211 0.184 1
1 440 . 19 1 1 A 38 38 GLU CA C 35 57.553 58.100 -0.547 1
1 441 . 19 1 1 A 38 38 GLU CB C 35 30.234 30.982 -0.748 1
1 443 . 19 1 1 A 38 38 GLU N N 35 114.356 119.606 -5.250 1
1 444 . 19 1 1 A 39 39 SER H H 36 7.125 7.544 -0.419 1
1 445 . 19 1 1 A 39 39 SER HA H 36 4.593 4.625 -0.032 1
1 448 . 19 1 1 A 39 39 SER CA C 36 55.308 55.525 -0.217 1
1 449 . 19 1 1 A 39 39 SER CB C 36 62.305 64.196 -1.891 1
1 450 . 19 1 1 A 39 39 SER N N 36 109.796 113.300 -3.504 1
1 451 . 19 1 1 A 40 40 PRO HA H 37 4.360 4.422 -0.062 1
1 458 . 19 1 1 A 40 40 PRO CA C 37 64.802 63.710 1.092 1
1 459 . 19 1 1 A 40 40 PRO CB C 37 32.562 32.442 0.120 1
1 462 . 19 1 1 A 41 41 ARG H H 38 8.356 7.979 0.377 1
1 463 . 19 1 1 A 41 41 ARG HA H 38 3.271 3.455 -0.184 1
1 470 . 19 1 1 A 41 41 ARG CA C 38 56.364 54.403 1.961 1
1 471 . 19 1 1 A 41 41 ARG CB C 38 29.580 29.007 0.573 1
1 474 . 19 1 1 A 41 41 ARG N N 38 120.882 120.214 0.668 1
1 475 . 19 1 1 A 42 42 ILE H H 39 5.973 7.931 -1.958 1
1 476 . 19 1 1 A 42 42 ILE HA H 39 4.216 4.380 -0.164 1
1 486 . 19 1 1 A 42 42 ILE CA C 39 60.301 60.876 -0.575 1
1 487 . 19 1 1 A 42 42 ILE CB C 39 38.705 36.888 1.817 1
1 491 . 19 1 1 A 42 42 ILE N N 39 127.866 125.636 2.230 1
1 492 . 19 1 1 A 43 43 GLU H H 40 8.860 8.915 -0.055 1
1 493 . 19 1 1 A 43 43 GLU HA H 40 4.218 4.352 -0.134 1
1 498 . 19 1 1 A 43 43 GLU CA C 40 59.945 58.505 1.440 1
1 499 . 19 1 1 A 43 43 GLU CB C 40 29.040 28.772 0.268 1
1 501 . 19 1 1 A 43 43 GLU N N 40 129.498 126.099 3.399 1
1 502 . 19 1 1 A 44 44 ALA H H 41 8.827 7.556 1.271 1
1 503 . 19 1 1 A 44 44 ALA HA H 41 4.241 4.199 0.042 1
1 507 . 19 1 1 A 44 44 ALA CA C 41 54.035 53.636 0.399 1
1 508 . 19 1 1 A 44 44 ALA CB C 41 18.466 18.528 -0.062 1
1 509 . 19 1 1 A 44 44 ALA N N 41 119.919 122.765 -2.846 1
1 510 . 19 1 1 A 45 45 ASN H H 42 8.184 8.158 0.026 1
1 511 . 19 1 1 A 45 45 ASN HA H 42 5.082 5.009 0.073 1
1 516 . 19 1 1 A 45 45 ASN CA C 42 51.401 52.773 -1.372 1
1 517 . 19 1 1 A 45 45 ASN CB C 42 38.684 39.833 -1.149 1
1 518 . 19 1 1 A 45 45 ASN N N 42 114.675 115.516 -0.841 1
1 520 . 19 1 1 A 46 46 LYS H H 43 7.515 7.366 0.149 1
1 521 . 19 1 1 A 46 46 LYS HA H 43 3.741 4.278 -0.537 1
1 530 . 19 1 1 A 46 46 LYS CA C 43 57.354 56.123 1.231 1
1 531 . 19 1 1 A 46 46 LYS CB C 43 32.905 32.688 0.217 1
1 535 . 19 1 1 A 46 46 LYS N N 43 122.167 118.460 3.707 1
1 536 . 19 1 1 A 47 47 LEU H H 44 8.184 8.004 0.180 1
1 537 . 19 1 1 A 47 47 LEU HA H 44 4.297 4.451 -0.154 1
1 547 . 19 1 1 A 47 47 LEU CA C 44 53.422 54.825 -1.403 1
1 548 . 19 1 1 A 47 47 LEU CB C 44 42.208 43.205 -0.997 1
1 552 . 19 1 1 A 47 47 LEU N N 44 127.544 124.820 2.724 1
1 553 . 19 1 1 A 48 48 ARG H H 45 8.706 8.717 -0.011 1
1 554 . 19 1 1 A 48 48 ARG HA H 45 3.918 3.981 -0.063 1
1 561 . 19 1 1 A 48 48 ARG CA C 45 57.765 59.383 -1.618 1
1 562 . 19 1 1 A 48 48 ARG CB C 45 29.686 29.951 -0.265 1
1 565 . 19 1 1 A 48 48 ARG N N 45 128.641 126.374 2.267 1
1 566 . 19 1 1 A 49 49 GLY H H 46 8.543 7.955 0.588 1
1 567 . 19 1 1 A 49 49 GLY HA2 H 46 4.129 3.763 0.366 1
1 568 . 19 1 1 A 49 49 GLY HA3 H 46 3.662 3.765 -0.103 1
1 569 . 19 1 1 A 49 49 GLY CA C 46 44.981 47.146 -2.165 1
1 570 . 19 1 1 A 49 49 GLY N N 46 110.474 106.996 3.478 1
1 571 . 19 1 1 A 50 50 MET H H 47 7.404 7.766 -0.362 1
1 572 . 19 1 1 A 50 50 MET HA H 47 5.226 4.874 0.352 1
1 580 . 19 1 1 A 50 50 MET CA C 47 50.824 52.511 -1.687 1
1 581 . 19 1 1 A 50 50 MET CB C 47 33.186 32.700 0.486 1
1 584 . 19 1 1 A 50 50 MET N N 47 118.742 118.311 0.431 1
1 585 . 19 1 1 A 51 51 PRO HA H 48 4.344 4.329 0.015 1
1 592 . 19 1 1 A 51 51 PRO CA C 48 63.591 64.144 -0.553 1
1 593 . 19 1 1 A 51 51 PRO CB C 48 31.942 31.759 0.183 1
1 596 . 19 1 1 A 52 52 ASP H H 49 8.703 8.184 0.519 1
1 597 . 19 1 1 A 52 52 ASP HA H 49 4.392 4.730 -0.338 1
1 600 . 19 1 1 A 52 52 ASP CA C 49 56.244 54.188 2.056 1
1 601 . 19 1 1 A 52 52 ASP N N 49 116.361 116.754 -0.393 1
1 602 . 19 1 1 A 53 53 CYS H H 50 7.456 7.428 0.028 1
1 603 . 19 1 1 A 53 53 CYS HA H 50 5.799 4.866 0.933 1
1 606 . 19 1 1 A 53 53 CYS CA C 50 58.147 56.921 1.226 1
1 607 . 19 1 1 A 53 53 CYS CB C 50 30.953 30.496 0.457 1
1 608 . 19 1 1 A 53 53 CYS N N 50 114.086 118.030 -3.944 1
1 609 . 19 1 1 A 54 54 TYR H H 51 8.939 8.613 0.326 1
1 610 . 19 1 1 A 54 54 TYR HA H 51 4.662 5.014 -0.352 1
1 617 . 19 1 1 A 54 54 TYR CA C 51 56.444 56.309 0.135 1
1 618 . 19 1 1 A 54 54 TYR CB C 51 43.000 42.998 0.002 1
1 620 . 19 1 1 A 54 54 TYR N N 51 120.722 123.012 -2.290 1
1 621 . 19 1 1 A 55 55 LYS H H 52 8.665 9.030 -0.365 1
1 622 . 19 1 1 A 55 55 LYS HA H 52 5.456 5.240 0.216 1
1 631 . 19 1 1 A 55 55 LYS CA C 52 53.968 54.267 -0.299 1
1 632 . 19 1 1 A 55 55 LYS CB C 52 36.126 36.992 -0.866 1
1 636 . 19 1 1 A 55 55 LYS N N 52 117.297 117.679 -0.382 1
1 637 . 19 1 1 A 56 56 ILE H H 53 9.272 8.690 0.582 1
1 638 . 19 1 1 A 56 56 ILE HA H 53 4.428 4.830 -0.402 1
1 648 . 19 1 1 A 56 56 ILE CA C 53 60.803 59.564 1.239 1
1 649 . 19 1 1 A 56 56 ILE CB C 53 40.849 42.706 -1.857 1
1 653 . 19 1 1 A 56 56 ILE N N 53 122.006 120.166 1.840 1
1 654 . 19 1 1 A 57 57 LYS H H 54 8.745 8.917 -0.172 1
1 655 . 19 1 1 A 57 57 LYS HA H 54 5.093 5.021 0.072 1
1 664 . 19 1 1 A 57 57 LYS CA C 54 54.227 54.428 -0.201 1
1 665 . 19 1 1 A 57 57 LYS CB C 54 35.595 36.263 -0.668 1
1 669 . 19 1 1 A 57 57 LYS N N 54 125.752 121.823 3.929 1
1 670 . 19 1 1 A 58 58 LEU H H 55 8.543 9.038 -0.495 1
1 671 . 19 1 1 A 58 58 LEU HA H 55 4.788 4.624 0.164 1
1 681 . 19 1 1 A 58 58 LEU CA C 55 53.151 54.326 -1.175 1
1 682 . 19 1 1 A 58 58 LEU CB C 55 41.238 41.979 -0.741 1
1 686 . 19 1 1 A 58 58 LEU N N 55 124.173 124.519 -0.346 1
1 687 . 19 1 1 A 59 59 ARG HA H 56 4.039 4.124 -0.085 1
1 694 . 19 1 1 A 59 59 ARG CA C 56 59.531 58.940 0.591 1
1 695 . 19 1 1 A 59 59 ARG CB C 56 32.180 30.032 2.148 1
1 698 . 19 1 1 A 60 60 SER HA H 57 4.335 4.530 -0.195 1
1 701 . 19 1 1 A 60 60 SER CA C 57 60.035 58.778 1.257 1
1 702 . 19 1 1 A 60 60 SER CB C 57 62.551 63.779 -1.228 1
1 703 . 19 1 1 A 61 61 SER H H 58 7.605 8.015 -0.410 1
1 704 . 19 1 1 A 61 61 SER HA H 58 4.604 4.794 -0.190 1
1 707 . 19 1 1 A 61 61 SER CA C 58 58.122 59.585 -1.463 1
1 708 . 19 1 1 A 61 61 SER CB C 58 64.520 65.879 -1.359 1
1 709 . 19 1 1 A 61 61 SER N N 58 112.447 116.882 -4.435 1
1 710 . 19 1 1 A 62 62 GLY H H 59 8.214 8.892 -0.678 1
1 711 . 19 1 1 A 62 62 GLY HA2 H 59 4.091 4.018 0.073 1
1 712 . 19 1 1 A 62 62 GLY HA3 H 59 3.824 4.019 -0.195 1
1 713 . 19 1 1 A 62 62 GLY CA C 59 45.562 45.211 0.351 1
1 714 . 19 1 1 A 62 62 GLY N N 59 108.976 109.101 -0.125 1
1 715 . 19 1 1 A 63 63 TYR H H 60 7.283 8.036 -0.753 1
1 716 . 19 1 1 A 63 63 TYR HA H 60 4.619 4.611 0.008 1
1 723 . 19 1 1 A 63 63 TYR CA C 60 60.412 58.368 2.044 1
1 724 . 19 1 1 A 63 63 TYR CB C 60 40.339 39.234 1.105 1
1 727 . 19 1 1 A 63 63 TYR N N 60 117.859 119.847 -1.988 1
1 728 . 19 1 1 A 64 64 ARG H H 61 9.296 8.996 0.300 1
1 729 . 19 1 1 A 64 64 ARG HA H 61 5.634 5.223 0.411 1
1 736 . 19 1 1 A 64 64 ARG CA C 61 54.114 54.016 0.098 1
1 737 . 19 1 1 A 64 64 ARG CB C 61 33.245 34.636 -1.391 1
1 740 . 19 1 1 A 64 64 ARG N N 61 117.912 119.564 -1.652 1
1 741 . 19 1 1 A 65 65 LEU H H 62 9.077 8.890 0.187 1
1 742 . 19 1 1 A 65 65 LEU HA H 62 5.459 5.089 0.370 1
1 752 . 19 1 1 A 65 65 LEU CA C 62 54.114 54.228 -0.114 1
1 753 . 19 1 1 A 65 65 LEU CB C 62 46.977 46.372 0.605 1
1 757 . 19 1 1 A 65 65 LEU N N 62 123.590 121.799 1.791 1
1 758 . 19 1 1 A 66 66 VAL H H 63 8.729 8.716 0.013 1
1 759 . 19 1 1 A 66 66 VAL HA H 63 5.206 5.143 0.063 1
1 767 . 19 1 1 A 66 66 VAL CA C 63 60.112 60.689 -0.577 1
1 768 . 19 1 1 A 66 66 VAL CB C 63 34.296 34.627 -0.331 1
1 771 . 19 1 1 A 66 66 VAL N N 63 123.237 125.318 -2.081 1
1 772 . 19 1 1 A 67 67 TYR H H 64 8.976 8.821 0.155 1
1 773 . 19 1 1 A 67 67 TYR HA H 64 5.745 5.150 0.595 1
1 780 . 19 1 1 A 67 67 TYR CA C 64 53.968 55.538 -1.570 1
1 781 . 19 1 1 A 67 67 TYR CB C 64 42.534 41.025 1.509 1
1 784 . 19 1 1 A 67 67 TYR N N 64 124.227 123.050 1.177 1
1 785 . 19 1 1 A 68 68 GLN H H 65 9.696 9.008 0.688 1
1 786 . 19 1 1 A 68 68 GLN HA H 65 5.640 4.945 0.695 1
1 793 . 19 1 1 A 68 68 GLN CA C 65 52.933 54.312 -1.379 1
1 794 . 19 1 1 A 68 68 GLN CB C 65 33.585 30.915 2.670 1
1 796 . 19 1 1 A 68 68 GLN N N 65 122.541 120.484 2.057 1
1 798 . 19 1 1 A 69 69 VAL H H 66 9.050 8.854 0.196 1
1 799 . 19 1 1 A 69 69 VAL HA H 66 4.513 4.602 -0.089 1
1 807 . 19 1 1 A 69 69 VAL CA C 66 62.534 62.011 0.523 1
1 808 . 19 1 1 A 69 69 VAL CB C 66 33.052 32.111 0.941 1
1 811 . 19 1 1 A 69 69 VAL N N 66 127.437 125.426 2.011 1
1 812 . 19 1 1 A 70 70 ILE H H 67 9.385 8.899 0.486 1
1 813 . 19 1 1 A 70 70 ILE HA H 67 4.475 4.507 -0.032 1
1 823 . 19 1 1 A 70 70 ILE CA C 67 59.863 60.867 -1.004 1
1 824 . 19 1 1 A 70 70 ILE CB C 67 37.487 37.625 -0.138 1
1 828 . 19 1 1 A 70 70 ILE N N 67 129.296 128.274 1.022 1
1 829 . 19 1 1 A 71 71 ASP H H 68 9.343 9.129 0.214 1
1 830 . 19 1 1 A 71 71 ASP HA H 68 4.595 4.704 -0.109 1
1 833 . 19 1 1 A 71 71 ASP CA C 68 58.841 56.133 2.708 1
1 834 . 19 1 1 A 71 71 ASP CB C 68 40.637 40.873 -0.236 1
1 835 . 19 1 1 A 71 71 ASP N N 68 128.749 128.918 -0.169 1
1 836 . 19 1 1 A 72 72 GLU H H 69 9.718 8.924 0.794 1
1 837 . 19 1 1 A 72 72 GLU HA H 69 4.124 4.067 0.057 1
1 842 . 19 1 1 A 72 72 GLU CA C 69 59.335 59.238 0.097 1
1 843 . 19 1 1 A 72 72 GLU CB C 69 29.131 29.162 -0.031 1
1 845 . 19 1 1 A 72 72 GLU N N 69 118.929 117.214 1.715 1
1 846 . 19 1 1 A 73 73 LYS H H 70 6.653 7.748 -1.095 1
1 847 . 19 1 1 A 73 73 LYS HA H 70 4.517 4.388 0.129 1
1 856 . 19 1 1 A 73 73 LYS CA C 70 54.587 56.059 -1.472 1
1 857 . 19 1 1 A 73 73 LYS CB C 70 33.843 33.437 0.406 1
1 861 . 19 1 1 A 73 73 LYS N N 70 114.113 117.293 -3.180 1
1 862 . 19 1 1 A 74 74 VAL H H 71 7.832 7.585 0.247 1
1 863 . 19 1 1 A 74 74 VAL HA H 71 3.012 3.555 -0.543 1
1 871 . 19 1 1 A 74 74 VAL CA C 71 63.090 63.238 -0.148 1
1 872 . 19 1 1 A 74 74 VAL CB C 71 29.226 28.930 0.296 1
1 875 . 19 1 1 A 74 74 VAL N N 71 119.223 116.439 2.784 1
1 876 . 19 1 1 A 75 75 VAL H H 72 7.732 7.830 -0.098 1
1 877 . 19 1 1 A 75 75 VAL HA H 72 4.950 5.235 -0.285 1
1 885 . 19 1 1 A 75 75 VAL CA C 72 60.455 59.149 1.306 1
1 886 . 19 1 1 A 75 75 VAL CB C 72 37.925 36.126 1.799 1
1 889 . 19 1 1 A 75 75 VAL N N 72 117.190 116.249 0.941 1
1 890 . 19 1 1 A 76 76 VAL H H 73 9.026 8.897 0.129 1
1 891 . 19 1 1 A 76 76 VAL HA H 73 4.349 4.634 -0.285 1
1 899 . 19 1 1 A 76 76 VAL CA C 73 62.527 61.548 0.979 1
1 900 . 19 1 1 A 76 76 VAL CB C 73 32.882 31.832 1.050 1
1 903 . 19 1 1 A 76 76 VAL N N 73 128.347 123.906 4.441 1
1 904 . 19 1 1 A 77 77 PHE H H 74 9.629 8.913 0.716 1
1 905 . 19 1 1 A 77 77 PHE HA H 74 5.898 5.123 0.775 1
1 913 . 19 1 1 A 77 77 PHE CA C 74 51.863 56.157 -4.294 1
1 914 . 19 1 1 A 77 77 PHE CB C 74 40.214 39.967 0.247 1
1 918 . 19 1 1 A 77 77 PHE N N 74 128.802 129.139 -0.337 1
1 919 . 19 1 1 A 78 78 VAL H H 75 9.535 8.680 0.855 1
1 920 . 19 1 1 A 78 78 VAL HA H 75 3.712 3.844 -0.132 1
1 928 . 19 1 1 A 78 78 VAL CA C 75 63.939 63.427 0.512 1
1 929 . 19 1 1 A 78 78 VAL CB C 75 31.079 30.820 0.259 1
1 932 . 19 1 1 A 78 78 VAL N N 75 128.588 127.487 1.101 1
1 933 . 19 1 1 A 79 79 ILE H H 76 8.515 8.677 -0.162 1
1 934 . 19 1 1 A 79 79 ILE HA H 76 3.443 3.712 -0.269 1
1 944 . 19 1 1 A 79 79 ILE CA C 76 61.950 62.460 -0.510 1
1 945 . 19 1 1 A 79 79 ILE CB C 76 40.800 38.397 2.403 1
1 949 . 19 1 1 A 79 79 ILE N N 76 126.287 128.791 -2.504 1
1 950 . 19 1 1 A 80 80 SER H H 77 7.180 7.552 -0.372 1
1 951 . 19 1 1 A 80 80 SER HA H 77 4.506 5.063 -0.557 1
1 954 . 19 1 1 A 80 80 SER CA C 77 57.464 57.794 -0.330 1
1 955 . 19 1 1 A 80 80 SER CB C 77 64.912 67.170 -2.258 1
1 956 . 19 1 1 A 80 80 SER N N 77 111.625 114.372 -2.747 1
1 957 . 19 1 1 A 81 81 VAL H H 78 8.641 8.564 0.077 1
1 958 . 19 1 1 A 81 81 VAL HA H 78 5.066 5.006 0.060 1
1 966 . 19 1 1 A 81 81 VAL CA C 78 60.913 60.744 0.169 1
1 967 . 19 1 1 A 81 81 VAL CB C 78 35.010 35.231 -0.221 1
1 970 . 19 1 1 A 81 81 VAL N N 78 126.742 123.343 3.399 1
1 971 . 19 1 1 A 82 82 GLY H H 79 8.658 8.353 0.305 1
1 972 . 19 1 1 A 82 82 GLY HA2 H 79 4.370 4.263 0.107 1
1 973 . 19 1 1 A 82 82 GLY HA3 H 79 4.160 4.445 -0.285 1
1 974 . 19 1 1 A 82 82 GLY CA C 79 46.036 44.192 1.844 1
1 975 . 19 1 1 A 82 82 GLY N N 79 111.223 112.103 -0.880 1
1 976 . 19 1 1 A 83 83 LYS H H 80 8.569 8.328 0.241 1
1 977 . 19 1 1 A 83 83 LYS HA H 80 4.369 4.651 -0.282 1
1 986 . 19 1 1 A 83 83 LYS CA C 80 54.855 55.187 -0.332 1
1 987 . 19 1 1 A 83 83 LYS CB C 80 34.866 32.333 2.533 1
1 991 . 19 1 1 A 83 83 LYS N N 80 121.257 121.910 -0.653 1
1 992 . 19 1 1 A 84 84 ALA H H 81 8.334 8.537 -0.203 1
1 993 . 19 1 1 A 84 84 ALA HA H 81 4.274 4.389 -0.115 1
1 997 . 19 1 1 A 84 84 ALA CA C 81 52.003 52.313 -0.310 1
1 998 . 19 1 1 A 84 84 ALA CB C 81 19.185 19.228 -0.043 1
1 999 . 19 1 1 A 84 84 ALA N N 81 126.662 128.683 -2.021 1
1 1000 . 19 1 1 A 85 85 GLU H H 82 8.638 8.459 0.179 1
1 1001 . 19 1 1 A 85 85 GLU HA H 82 4.214 4.168 0.046 1
1 1006 . 19 1 1 A 85 85 GLU CA C 82 56.366 56.887 -0.521 1
1 1007 . 19 1 1 A 85 85 GLU CB C 82 30.238 30.084 0.154 1
1 1009 . 19 1 1 A 85 85 GLU N N 82 121.819 122.375 -0.556 1
1 1010 . 19 1 1 A 86 86 ALA H H 83 8.462 8.902 -0.440 1
1 1011 . 19 1 1 A 86 86 ALA HA H 83 4.341 4.501 -0.160 1
1 1015 . 19 1 1 A 86 86 ALA CA C 83 52.156 53.419 -1.263 1
1 1016 . 19 1 1 A 86 86 ALA CB C 83 19.206 21.297 -2.091 1
1 1017 . 19 1 1 A 86 86 ALA N N 83 125.350 123.862 1.488 1
1 1018 . 19 1 1 A 87 87 SER H H 84 8.309 8.460 -0.151 1
1 1019 . 19 1 1 A 87 87 SER HA H 84 4.400 4.562 -0.162 1
1 1022 . 19 1 1 A 87 87 SER CA C 84 58.058 60.377 -2.319 1
1 1023 . 19 1 1 A 87 87 SER CB C 84 63.845 63.402 0.443 1
1 1024 . 19 1 1 A 87 87 SER N N 84 115.397 115.424 -0.027 1
1 1025 . 19 1 1 A 88 88 GLU H H 85 8.443 8.053 0.390 1
1 1026 . 19 1 1 A 88 88 GLU HA H 85 4.318 4.229 0.089 1
1 1031 . 19 1 1 A 88 88 GLU CA C 85 56.465 56.458 0.007 1
1 1032 . 19 1 1 A 88 88 GLU CB C 85 30.464 31.469 -1.005 1
1 1034 . 19 1 1 A 88 88 GLU N N 85 122.947 117.551 5.396 1
1 1035 . 19 1 1 A 89 89 VAL H H 86 8.098 7.894 0.204 1
1 1036 . 19 1 1 A 89 89 VAL HA H 86 4.044 3.785 0.259 1
1 1044 . 19 1 1 A 89 89 VAL CA C 86 62.293 64.314 -2.021 1
1 1045 . 19 1 1 A 89 89 VAL CB C 86 32.703 31.627 1.076 1
1 1048 . 19 1 1 A 89 89 VAL N N 86 120.884 120.587 0.297 1
1 1049 . 19 1 1 A 90 90 TYR H H 87 8.313 7.750 0.563 1
1 1050 . 19 1 1 A 90 90 TYR HA H 87 4.623 4.470 0.153 1
1 1057 . 19 1 1 A 90 90 TYR CA C 87 57.791 58.395 -0.604 1
1 1058 . 19 1 1 A 90 90 TYR CB C 87 38.795 37.748 1.047 1
1 1061 . 19 1 1 A 90 90 TYR N N 87 124.634 120.649 3.985 1
1 1062 . 19 1 1 A 91 91 SER H H 88 8.140 7.907 0.233 1
1 1063 . 19 1 1 A 91 91 SER HA H 88 4.411 4.229 0.182 1
1 1066 . 19 1 1 A 91 91 SER CA C 88 58.396 61.767 -3.371 1
1 1067 . 19 1 1 A 91 91 SER CB C 88 63.703 62.903 0.800 1
1 1068 . 19 1 1 A 91 91 SER N N 88 118.447 117.999 0.448 1
1 1069 . 19 1 1 A 92 92 GLU H H 89 8.400 7.924 0.476 1
1 1070 . 19 1 1 A 92 92 GLU HA H 89 4.245 4.012 0.233 1
1 1075 . 19 1 1 A 92 92 GLU CA C 89 56.465 59.014 -2.549 1
1 1076 . 19 1 1 A 92 92 GLU CB C 89 29.471 29.788 -0.317 1
1 1078 . 19 1 1 A 92 92 GLU N N 89 122.947 120.830 2.117 1
1 1079 . 19 1 1 A 93 93 ALA H H 90 8.224 8.326 -0.102 1
1 1080 . 19 1 1 A 93 93 ALA HA H 90 4.287 4.132 0.155 1
1 1084 . 19 1 1 A 93 93 ALA CA C 90 52.598 54.328 -1.730 1
1 1085 . 19 1 1 A 93 93 ALA CB C 90 18.864 17.868 0.996 1
1 1086 . 19 1 1 A 93 93 ALA N N 90 124.404 121.430 2.974 1
1 1087 . 19 1 1 A 94 94 VAL H H 91 7.971 8.184 -0.213 1
1 1088 . 19 1 1 A 94 94 VAL HA H 91 4.060 4.553 -0.493 1
1 1096 . 19 1 1 A 94 94 VAL CA C 91 62.072 60.631 1.441 1
1 1097 . 19 1 1 A 94 94 VAL CB C 91 32.601 33.034 -0.433 1
1 1100 . 19 1 1 A 94 94 VAL N N 91 119.330 117.191 2.139 1
1 1101 . 19 1 1 A 95 95 LYS H H 92 8.271 9.093 -0.822 1
1 1102 . 19 1 1 A 95 95 LYS HA H 92 4.313 4.588 -0.275 1
1 1111 . 19 1 1 A 95 95 LYS CA C 92 56.078 56.074 0.004 1
1 1112 . 19 1 1 A 95 95 LYS CB C 92 32.924 33.579 -0.655 1
1 1116 . 19 1 1 A 95 95 LYS N N 92 124.941 121.217 3.724 1
1 1117 . 19 1 1 A 96 96 ARG H H 93 8.317 7.872 0.445 1
1 1118 . 19 1 1 A 96 96 ARG HA H 93 4.360 4.363 -0.003 1
1 1125 . 19 1 1 A 96 96 ARG CA C 93 55.901 55.958 -0.057 1
1 1126 . 19 1 1 A 96 96 ARG CB C 93 30.906 30.844 0.062 1
1 1129 . 19 1 1 A 96 96 ARG N N 93 122.918 116.358 6.560 1
1 1130 . 19 1 1 A 97 97 ILE H H 94 8.251 7.559 0.692 1
1 1131 . 19 1 1 A 97 97 ILE HA H 94 4.184 4.172 0.012 1
1 1141 . 19 1 1 A 97 97 ILE CA C 94 60.946 61.085 -0.139 1
1 1142 . 19 1 1 A 97 97 ILE CB C 94 38.298 36.765 1.533 1
1 1146 . 19 1 1 A 97 97 ILE N N 94 123.301 121.155 2.146 1
1 1191 . 19 2 2 B 5 5 GLN H H 48 8.533 8.067 0.466 1
1 1192 . 19 2 2 B 5 5 GLN HA H 48 4.390 4.538 -0.148 1
1 1199 . 19 2 2 B 5 5 GLN C C 48 175.953 175.506 0.447 1
1 1200 . 19 2 2 B 5 5 GLN CA C 48 55.760 56.106 -0.346 1
1 1201 . 19 2 2 B 5 5 GLN CB C 48 29.225 30.788 -1.563 1
1 1203 . 19 2 2 B 5 5 GLN N N 48 122.121 116.125 5.996 1
1 1205 . 19 2 2 B 6 6 THR H H 49 8.281 7.769 0.512 1
1 1206 . 19 2 2 B 6 6 THR HA H 49 4.316 4.720 -0.404 1
1 1211 . 19 2 2 B 6 6 THR C C 49 174.156 175.512 -1.356 1
1 1212 . 19 2 2 B 6 6 THR CA C 49 61.724 59.406 2.318 1
1 1213 . 19 2 2 B 6 6 THR CB C 49 69.452 71.999 -2.547 1
1 1215 . 19 2 2 B 6 6 THR N N 49 116.639 110.815 5.824 1
1 1216 . 19 2 2 B 7 7 LEU H H 50 8.328 8.487 -0.159 1
1 1217 . 19 2 2 B 7 7 LEU HA H 50 4.381 4.148 0.233 1
1 1227 . 19 2 2 B 7 7 LEU C C 50 176.985 177.139 -0.154 1
1 1228 . 19 2 2 B 7 7 LEU CA C 50 55.093 57.428 -2.335 1
1 1229 . 19 2 2 B 7 7 LEU CB C 50 42.122 42.179 -0.057 1
1 1233 . 19 2 2 B 7 7 LEU N N 50 125.001 122.031 2.970 1
1 1234 . 19 2 2 B 8 8 LEU H H 51 8.264 7.615 0.649 1
1 1235 . 19 2 2 B 8 8 LEU HA H 51 4.410 4.769 -0.359 1
1 1245 . 19 2 2 B 8 8 LEU C C 51 177.235 175.898 1.337 1
1 1246 . 19 2 2 B 8 8 LEU CA C 51 54.936 52.971 1.965 1
1 1247 . 19 2 2 B 8 8 LEU CB C 51 42.292 43.812 -1.520 1
1 1251 . 19 2 2 B 8 8 LEU N N 51 123.073 117.826 5.247 1
1 1252 . 19 2 2 B 9 9 SER H H 52 8.499 8.549 -0.050 1
1 1253 . 19 2 2 B 9 9 SER HA H 52 4.410 4.559 -0.149 1
1 1256 . 19 2 2 B 9 9 SER C C 52 174.083 174.338 -0.255 1
1 1257 . 19 2 2 B 9 9 SER CA C 52 57.757 59.511 -1.754 1
1 1258 . 19 2 2 B 9 9 SER CB C 52 63.734 64.933 -1.199 1
1 1259 . 19 2 2 B 9 9 SER N N 52 117.150 116.257 0.893 1
1 1260 . 19 2 2 B 10 10 ASP H H 53 8.416 8.386 0.030 1
1 1261 . 19 2 2 B 10 10 ASP HA H 53 4.575 4.923 -0.348 1
1 1264 . 19 2 2 B 10 10 ASP C C 53 176.911 177.771 -0.860 1
1 1265 . 19 2 2 B 10 10 ASP CA C 53 54.678 55.455 -0.777 1
1 1266 . 19 2 2 B 10 10 ASP CB C 53 40.771 42.574 -1.803 1
1 1267 . 19 2 2 B 10 10 ASP N N 53 122.632 121.063 1.569 1
1 1268 . 19 2 2 B 11 11 GLU H H 54 8.486 8.441 0.045 1
1 1269 . 19 2 2 B 11 11 GLU HA H 54 4.155 4.115 0.040 1
1 1274 . 19 2 2 B 11 11 GLU C C 54 177.220 177.375 -0.155 1
1 1275 . 19 2 2 B 11 11 GLU CA C 54 58.488 58.190 0.298 1
1 1276 . 19 2 2 B 11 11 GLU CB C 54 29.615 28.381 1.234 1
1 1278 . 19 2 2 B 11 11 GLU N N 54 121.842 117.501 4.341 1
1 1279 . 19 2 2 B 12 12 ASP H H 55 8.301 8.189 0.112 1
1 1280 . 19 2 2 B 12 12 ASP HA H 55 4.470 4.578 -0.108 1
1 1283 . 19 2 2 B 12 12 ASP C C 55 177.161 178.135 -0.974 1
1 1284 . 19 2 2 B 12 12 ASP CA C 55 55.901 56.740 -0.839 1
1 1285 . 19 2 2 B 12 12 ASP CB C 55 40.503 41.175 -0.672 1
1 1286 . 19 2 2 B 12 12 ASP N N 55 120.309 120.064 0.245 1
1 1287 . 19 2 2 B 13 13 ALA H H 56 8.114 8.304 -0.190 1
1 1288 . 19 2 2 B 13 13 ALA HA H 56 3.986 4.018 -0.032 1
1 1292 . 19 2 2 B 13 13 ALA C C 56 180.446 179.648 0.798 1
1 1293 . 19 2 2 B 13 13 ALA CA C 56 55.422 54.758 0.664 1
1 1294 . 19 2 2 B 13 13 ALA CB C 56 18.001 18.459 -0.458 1
1 1295 . 19 2 2 B 13 13 ALA N N 56 122.864 121.771 1.093 1
1 1296 . 19 2 2 B 14 14 GLU H H 57 8.105 7.352 0.753 1
1 1297 . 19 2 2 B 14 14 GLU HA H 57 4.010 4.100 -0.090 1
1 1302 . 19 2 2 B 14 14 GLU C C 57 178.914 178.501 0.413 1
1 1303 . 19 2 2 B 14 14 GLU CA C 57 59.175 58.520 0.655 1
1 1304 . 19 2 2 B 14 14 GLU CB C 57 28.904 29.323 -0.419 1
1 1306 . 19 2 2 B 14 14 GLU N N 57 117.931 118.938 -1.007 1
1 1307 . 19 2 2 B 15 15 LEU H H 58 7.813 7.646 0.167 1
1 1308 . 19 2 2 B 15 15 LEU HA H 58 4.062 4.200 -0.138 1
1 1318 . 19 2 2 B 15 15 LEU C C 58 178.634 179.223 -0.589 1
1 1319 . 19 2 2 B 15 15 LEU CA C 58 56.960 56.456 0.504 1
1 1320 . 19 2 2 B 15 15 LEU CB C 58 41.973 42.079 -0.106 1
1 1324 . 19 2 2 B 15 15 LEU N N 58 119.867 119.131 0.736 1
1 1325 . 19 2 2 B 16 16 VAL H H 59 8.491 7.691 0.800 1
1 1326 . 19 2 2 B 16 16 VAL HA H 59 3.365 3.889 -0.524 1
1 1334 . 19 2 2 B 16 16 VAL C C 59 177.147 177.261 -0.114 1
1 1335 . 19 2 2 B 16 16 VAL CA C 59 67.142 65.320 1.822 1
1 1336 . 19 2 2 B 16 16 VAL CB C 59 31.176 31.229 -0.053 1
1 1339 . 19 2 2 B 16 16 VAL N N 59 118.357 116.072 2.285 1
1 1340 . 19 2 2 B 17 17 GLU H H 60 7.411 8.228 -0.817 1
1 1341 . 19 2 2 B 17 17 GLU HA H 60 4.015 4.135 -0.120 1
1 1346 . 19 2 2 B 17 17 GLU C C 60 179.636 178.596 1.040 1
1 1347 . 19 2 2 B 17 17 GLU CA C 60 59.203 58.915 0.288 1
1 1348 . 19 2 2 B 17 17 GLU CB C 60 28.970 29.577 -0.607 1
1 1350 . 19 2 2 B 17 17 GLU N N 60 117.103 120.216 -3.113 1
1 1351 . 19 2 2 B 18 18 ILE H H 61 7.574 7.520 0.054 1
1 1352 . 19 2 2 B 18 18 ILE HA H 61 3.830 3.686 0.144 1
1 1362 . 19 2 2 B 18 18 ILE C C 61 178.001 178.145 -0.144 1
1 1363 . 19 2 2 B 18 18 ILE CA C 61 63.982 65.001 -1.019 1
1 1364 . 19 2 2 B 18 18 ILE CB C 61 38.483 37.595 0.888 1
1 1368 . 19 2 2 B 18 18 ILE N N 61 120.727 121.471 -0.744 1
1 1369 . 19 2 2 B 19 19 VAL H H 62 8.294 8.183 0.111 1
1 1370 . 19 2 2 B 19 19 VAL HA H 62 3.360 3.773 -0.413 1
1 1378 . 19 2 2 B 19 19 VAL C C 62 177.338 177.562 -0.224 1
1 1379 . 19 2 2 B 19 19 VAL CA C 62 66.364 65.527 0.837 1
1 1380 . 19 2 2 B 19 19 VAL CB C 62 31.203 31.401 -0.198 1
1 1383 . 19 2 2 B 19 19 VAL N N 62 119.635 120.964 -1.329 1
1 1384 . 19 2 2 B 20 20 LYS H H 63 8.780 7.870 0.910 1
1 1385 . 19 2 2 B 20 20 LYS HA H 63 3.784 4.003 -0.219 1
1 1394 . 19 2 2 B 20 20 LYS C C 63 179.209 178.755 0.454 1
1 1395 . 19 2 2 B 20 20 LYS CA C 63 60.096 58.864 1.232 1
1 1396 . 19 2 2 B 20 20 LYS CB C 63 32.673 31.909 0.764 1
1 1400 . 19 2 2 B 20 20 LYS N N 63 118.009 120.371 -2.362 1
1 1401 . 19 2 2 B 21 21 GLU H H 64 7.567 7.707 -0.140 1
1 1402 . 19 2 2 B 21 21 GLU HA H 64 4.084 4.063 0.021 1
1 1407 . 19 2 2 B 21 21 GLU C C 64 179.592 179.802 -0.210 1
1 1408 . 19 2 2 B 21 21 GLU CA C 64 58.728 59.207 -0.479 1
1 1409 . 19 2 2 B 21 21 GLU CB C 64 28.974 29.299 -0.325 1
1 1411 . 19 2 2 B 21 21 GLU N N 64 117.452 119.507 -2.055 1
1 1412 . 19 2 2 B 22 22 ARG H H 65 8.156 7.965 0.191 1
1 1413 . 19 2 2 B 22 22 ARG HA H 65 4.053 4.101 -0.048 1
1 1420 . 19 2 2 B 22 22 ARG C C 65 177.986 178.951 -0.965 1
1 1421 . 19 2 2 B 22 22 ARG CA C 65 61.243 58.422 2.821 1
1 1422 . 19 2 2 B 22 22 ARG CB C 65 29.980 30.314 -0.334 1
1 1425 . 19 2 2 B 22 22 ARG N N 65 119.635 119.287 0.348 1
1 1426 . 19 2 2 B 23 23 LEU H H 66 8.436 8.107 0.329 1
1 1427 . 19 2 2 B 23 23 LEU HA H 66 4.106 4.145 -0.039 1
1 1437 . 19 2 2 B 23 23 LEU C C 66 178.620 178.408 0.212 1
1 1438 . 19 2 2 B 23 23 LEU CA C 66 56.667 56.948 -0.281 1
1 1439 . 19 2 2 B 23 23 LEU CB C 66 41.465 41.265 0.200 1
1 1443 . 19 2 2 B 23 23 LEU N N 66 115.686 121.962 -6.276 1
1 1444 . 19 2 2 B 24 24 ARG H H 67 7.404 8.708 -1.304 1
1 1445 . 19 2 2 B 24 24 ARG HA H 67 4.165 4.127 0.038 1
1 1452 . 19 2 2 B 24 24 ARG C C 67 177.147 176.301 0.846 1
1 1453 . 19 2 2 B 24 24 ARG CA C 67 59.004 58.866 0.138 1
1 1454 . 19 2 2 B 24 24 ARG CB C 67 30.472 30.005 0.467 1
1 1457 . 19 2 2 B 24 24 ARG N N 67 118.427 116.110 2.317 1
1 1458 . 19 2 2 B 25 25 ASN H H 68 7.322 7.447 -0.125 1
1 1459 . 19 2 2 B 25 25 ASN HA H 68 5.064 5.035 0.029 1
1 1464 . 19 2 2 B 25 25 ASN CA C 68 51.014 51.135 -0.121 1
1 1465 . 19 2 2 B 25 25 ASN CB C 68 38.696 38.743 -0.047 1
1 1466 . 19 2 2 B 25 25 ASN N N 68 114.083 117.575 -3.492 1
1 1468 . 19 2 2 B 26 26 PRO HA H 69 4.521 4.500 0.021 1
1 1475 . 19 2 2 B 26 26 PRO C C 69 177.323 176.968 0.355 1
1 1476 . 19 2 2 B 26 26 PRO CA C 69 63.698 64.686 -0.988 1
1 1477 . 19 2 2 B 26 26 PRO CB C 69 33.286 32.079 1.207 1
1 1480 . 19 2 2 B 27 27 LYS H H 70 8.672 7.953 0.719 1
1 1481 . 19 2 2 B 27 27 LYS HA H 70 4.980 3.961 1.019 1
1 1490 . 19 2 2 B 27 27 LYS CA C 70 52.767 56.542 -3.775 1
1 1491 . 19 2 2 B 27 27 LYS CB C 70 33.540 31.036 2.504 1
1 1495 . 19 2 2 B 27 27 LYS N N 70 121.210 115.891 5.319 1
1 1496 . 19 2 2 B 28 28 PRO HA H 71 4.467 4.715 -0.248 1
1 1503 . 19 2 2 B 28 28 PRO C C 71 177.235 176.071 1.164 1
1 1504 . 19 2 2 B 28 28 PRO CA C 71 63.859 62.613 1.246 1
1 1505 . 19 2 2 B 28 28 PRO CB C 71 32.632 32.188 0.444 1
1 1508 . 19 2 2 B 29 29 VAL H H 72 9.036 8.574 0.462 1
1 1509 . 19 2 2 B 29 29 VAL HA H 72 4.155 4.320 -0.165 1
1 1517 . 19 2 2 B 29 29 VAL C C 72 174.554 175.073 -0.519 1
1 1518 . 19 2 2 B 29 29 VAL CA C 72 61.506 61.423 0.083 1
1 1519 . 19 2 2 B 29 29 VAL CB C 72 34.764 32.619 2.145 1
1 1522 . 19 2 2 B 29 29 VAL N N 72 124.322 124.108 0.214 1
1 1523 . 19 2 2 B 30 30 ARG H H 73 8.437 8.703 -0.266 1
1 1524 . 19 2 2 B 30 30 ARG HA H 73 5.195 4.612 0.583 1
1 1531 . 19 2 2 B 30 30 ARG C C 73 176.248 176.088 0.160 1
1 1532 . 19 2 2 B 30 30 ARG CA C 73 55.189 56.239 -1.050 1
1 1533 . 19 2 2 B 30 30 ARG CB C 73 27.764 30.545 -2.781 1
1 1536 . 19 2 2 B 30 30 ARG N N 73 129.461 128.046 1.415 1
1 1537 . 19 2 2 B 31 31 VAL H H 74 8.822 8.849 -0.027 1
1 1538 . 19 2 2 B 31 31 VAL HA H 74 4.889 5.077 -0.188 1
1 1546 . 19 2 2 B 31 31 VAL C C 74 173.965 173.843 0.122 1
1 1547 . 19 2 2 B 31 31 VAL CA C 74 59.055 59.111 -0.056 1
1 1548 . 19 2 2 B 31 31 VAL CB C 74 35.653 36.416 -0.763 1
1 1551 . 19 2 2 B 31 31 VAL N N 74 123.375 119.872 3.503 1
1 1552 . 19 2 2 B 32 32 THR H H 75 7.855 8.344 -0.489 1
1 1553 . 19 2 2 B 32 32 THR HA H 75 4.730 5.021 -0.291 1
1 1558 . 19 2 2 B 32 32 THR C C 75 175.865 175.237 0.628 1
1 1559 . 19 2 2 B 32 32 THR CA C 75 59.052 59.223 -0.171 1
1 1560 . 19 2 2 B 32 32 THR CB C 75 71.228 71.962 -0.734 1
1 1562 . 19 2 2 B 32 32 THR N N 75 109.507 111.229 -1.722 1
1 1563 . 19 2 2 B 33 33 LEU H H 76 8.841 9.019 -0.178 1
1 1564 . 19 2 2 B 33 33 LEU HA H 76 3.773 4.049 -0.276 1
1 1574 . 19 2 2 B 33 33 LEU C C 76 178.737 178.799 -0.062 1
1 1575 . 19 2 2 B 33 33 LEU CA C 76 57.892 57.733 0.159 1
1 1576 . 19 2 2 B 33 33 LEU CB C 76 41.057 41.563 -0.506 1
1 1580 . 19 2 2 B 33 33 LEU N N 76 121.099 122.125 -1.026 1
1 1581 . 19 2 2 B 34 34 ASP H H 77 7.983 8.342 -0.359 1
1 1582 . 19 2 2 B 34 34 ASP HA H 77 4.431 4.278 0.153 1
1 1585 . 19 2 2 B 34 34 ASP C C 77 177.088 177.968 -0.880 1
1 1586 . 19 2 2 B 34 34 ASP CA C 77 55.837 58.106 -2.269 1
1 1587 . 19 2 2 B 34 34 ASP CB C 77 40.498 41.777 -1.279 1
1 1588 . 19 2 2 B 34 34 ASP N N 77 113.851 119.944 -6.093 1
1 1589 . 19 2 2 B 35 35 GLU H H 78 7.561 7.836 -0.275 1
1 1590 . 19 2 2 B 35 35 GLU HA H 78 4.320 4.243 0.077 1
1 1595 . 19 2 2 B 35 35 GLU C C 78 175.482 177.010 -1.528 1
1 1596 . 19 2 2 B 35 35 GLU CA C 78 55.918 57.633 -1.715 1
1 1597 . 19 2 2 B 35 35 GLU CB C 78 30.767 29.788 0.979 1
1 1599 . 19 2 2 B 35 35 GLU N N 78 117.508 115.990 1.518 1
1 15 . 20 1 1 A 5 5 ALA H H 2 8.098 8.613 -0.515 1
1 16 . 20 1 1 A 5 5 ALA HA H 2 4.389 4.368 0.021 1
1 20 . 20 1 1 A 5 5 ALA CA C 2 51.852 53.139 -1.287 1
1 21 . 20 1 1 A 5 5 ALA CB C 2 19.420 19.836 -0.416 1
1 22 . 20 1 1 A 5 5 ALA N N 2 125.572 127.758 -2.186 1
1 23 . 20 1 1 A 6 6 TYR H H 3 8.402 8.180 0.222 1
1 24 . 20 1 1 A 6 6 TYR HA H 3 4.236 4.374 -0.138 1
1 31 . 20 1 1 A 6 6 TYR CA C 3 57.802 58.099 -0.297 1
1 32 . 20 1 1 A 6 6 TYR CB C 3 39.608 39.060 0.548 1
1 35 . 20 1 1 A 6 6 TYR N N 3 120.730 116.093 4.637 1
1 36 . 20 1 1 A 7 7 PHE H H 4 8.958 8.737 0.221 1
1 37 . 20 1 1 A 7 7 PHE HA H 4 4.509 4.856 -0.347 1
1 45 . 20 1 1 A 7 7 PHE CA C 4 57.936 57.989 -0.053 1
1 46 . 20 1 1 A 7 7 PHE CB C 4 40.613 40.314 0.299 1
1 50 . 20 1 1 A 7 7 PHE N N 4 118.436 121.498 -3.062 1
1 51 . 20 1 1 A 8 8 LEU H H 5 8.711 8.713 -0.002 1
1 52 . 20 1 1 A 8 8 LEU HA H 5 5.336 5.358 -0.022 1
1 62 . 20 1 1 A 8 8 LEU CA C 5 53.391 53.744 -0.353 1
1 63 . 20 1 1 A 8 8 LEU CB C 5 44.716 46.569 -1.853 1
1 67 . 20 1 1 A 8 8 LEU N N 5 122.810 122.890 -0.080 1
1 68 . 20 1 1 A 9 9 ASP H H 6 9.145 8.770 0.375 1
1 69 . 20 1 1 A 9 9 ASP HA H 6 5.999 5.454 0.545 1
1 72 . 20 1 1 A 9 9 ASP CA C 6 51.759 53.634 -1.875 1
1 73 . 20 1 1 A 9 9 ASP CB C 6 44.757 45.160 -0.403 1
1 74 . 20 1 1 A 9 9 ASP N N 6 124.570 124.046 0.524 1
1 75 . 20 1 1 A 10 10 PHE H H 7 9.884 9.197 0.687 1
1 76 . 20 1 1 A 10 10 PHE HA H 7 5.231 5.270 -0.039 1
1 83 . 20 1 1 A 10 10 PHE CA C 7 55.321 56.900 -1.579 1
1 84 . 20 1 1 A 10 10 PHE CB C 7 42.863 43.119 -0.256 1
1 88 . 20 1 1 A 10 10 PHE N N 7 123.156 121.388 1.768 1
1 89 . 20 1 1 A 11 11 ASP H H 8 8.986 8.764 0.222 1
1 90 . 20 1 1 A 11 11 ASP HA H 8 4.924 4.847 0.077 1
1 93 . 20 1 1 A 11 11 ASP CA C 8 55.122 54.711 0.411 1
1 94 . 20 1 1 A 11 11 ASP CB C 8 44.453 42.982 1.471 1
1 95 . 20 1 1 A 11 11 ASP N N 8 123.103 124.532 -1.429 1
1 96 . 20 1 1 A 12 12 GLU H H 9 9.685 8.919 0.766 1
1 97 . 20 1 1 A 12 12 GLU HA H 9 3.984 4.030 -0.046 1
1 102 . 20 1 1 A 12 12 GLU CA C 9 60.974 59.614 1.360 1
1 103 . 20 1 1 A 12 12 GLU CB C 9 31.222 29.387 1.835 1
1 105 . 20 1 1 A 12 12 GLU N N 9 128.730 124.958 3.772 1
1 106 . 20 1 1 A 13 13 ARG H H 10 9.626 8.439 1.187 1
1 107 . 20 1 1 A 13 13 ARG HA H 10 4.063 4.016 0.047 1
1 114 . 20 1 1 A 13 13 ARG CA C 10 59.013 58.934 0.079 1
1 115 . 20 1 1 A 13 13 ARG CB C 10 30.124 30.145 -0.021 1
1 118 . 20 1 1 A 13 13 ARG N N 10 117.930 118.844 -0.914 1
1 119 . 20 1 1 A 14 14 ALA H H 11 7.268 8.008 -0.740 1
1 120 . 20 1 1 A 14 14 ALA HA H 11 5.323 4.203 1.120 1
1 124 . 20 1 1 A 14 14 ALA CA C 11 53.013 55.077 -2.064 1
1 125 . 20 1 1 A 14 14 ALA CB C 11 18.072 18.807 -0.735 1
1 126 . 20 1 1 A 14 14 ALA N N 11 122.063 122.343 -0.280 1
1 127 . 20 1 1 A 15 15 LEU H H 12 8.773 8.118 0.655 1
1 128 . 20 1 1 A 15 15 LEU HA H 12 4.318 2.825 1.493 1
1 138 . 20 1 1 A 15 15 LEU CA C 12 57.404 57.636 -0.232 1
1 139 . 20 1 1 A 15 15 LEU CB C 12 41.842 41.615 0.227 1
1 143 . 20 1 1 A 15 15 LEU N N 12 121.956 118.802 3.154 1
1 144 . 20 1 1 A 16 16 LYS H H 13 7.515 7.717 -0.202 1
1 145 . 20 1 1 A 16 16 LYS HA H 13 4.099 3.809 0.290 1
1 154 . 20 1 1 A 16 16 LYS CA C 13 59.837 59.556 0.281 1
1 155 . 20 1 1 A 16 16 LYS CB C 13 32.297 32.036 0.261 1
1 159 . 20 1 1 A 16 16 LYS N N 13 118.250 117.066 1.184 1
1 160 . 20 1 1 A 17 17 GLU H H 14 7.416 8.097 -0.681 1
1 161 . 20 1 1 A 17 17 GLU HA H 14 3.959 4.027 -0.068 1
1 166 . 20 1 1 A 17 17 GLU CA C 14 59.458 59.500 -0.042 1
1 167 . 20 1 1 A 17 17 GLU CB C 14 29.644 29.690 -0.046 1
1 169 . 20 1 1 A 17 17 GLU N N 14 118.330 119.729 -1.399 1
1 170 . 20 1 1 A 18 18 TRP H H 15 9.095 7.859 1.236 1
1 171 . 20 1 1 A 18 18 TRP HA H 15 4.013 4.557 -0.544 1
1 178 . 20 1 1 A 18 18 TRP CA C 15 60.476 60.119 0.357 1
1 179 . 20 1 1 A 18 18 TRP CB C 15 29.644 28.132 1.512 1
1 182 . 20 1 1 A 18 18 TRP N N 15 121.770 118.149 3.621 1
1 183 . 20 1 1 A 19 19 ARG H H 16 8.060 7.305 0.755 1
1 184 . 20 1 1 A 19 19 ARG HA H 16 4.030 4.147 -0.117 1
1 191 . 20 1 1 A 19 19 ARG CA C 16 57.993 59.009 -1.016 1
1 192 . 20 1 1 A 19 19 ARG CB C 16 29.948 29.521 0.427 1
1 195 . 20 1 1 A 19 19 ARG N N 16 113.396 121.990 -8.594 1
1 196 . 20 1 1 A 20 20 LYS H H 17 7.274 7.886 -0.612 1
1 197 . 20 1 1 A 20 20 LYS HA H 17 4.311 4.169 0.142 1
1 206 . 20 1 1 A 20 20 LYS CA C 17 57.183 58.201 -1.018 1
1 207 . 20 1 1 A 20 20 LYS CB C 17 32.106 32.655 -0.549 1
1 211 . 20 1 1 A 20 20 LYS N N 17 116.232 117.936 -1.704 1
1 212 . 20 1 1 A 21 21 LEU H H 18 7.359 7.940 -0.581 1
1 213 . 20 1 1 A 21 21 LEU HA H 18 4.074 4.588 -0.514 1
1 223 . 20 1 1 A 21 21 LEU CA C 18 54.367 54.880 -0.513 1
1 224 . 20 1 1 A 21 21 LEU CB C 18 43.185 43.843 -0.658 1
1 228 . 20 1 1 A 21 21 LEU N N 18 119.903 115.095 4.808 1
1 229 . 20 1 1 A 22 22 GLY H H 19 8.455 6.902 1.553 1
1 230 . 20 1 1 A 22 22 GLY HA2 H 19 4.103 4.113 -0.010 1
1 231 . 20 1 1 A 22 22 GLY HA3 H 19 3.888 4.136 -0.248 1
1 232 . 20 1 1 A 22 22 GLY CA C 19 44.739 44.235 0.504 1
1 233 . 20 1 1 A 22 22 GLY N N 19 108.063 107.414 0.649 1
1 234 . 20 1 1 A 23 23 SER H H 20 8.711 8.766 -0.055 1
1 235 . 20 1 1 A 23 23 SER HA H 20 4.422 4.441 -0.019 1
1 238 . 20 1 1 A 23 23 SER CA C 20 58.325 61.417 -3.092 1
1 239 . 20 1 1 A 23 23 SER CB C 20 63.754 64.033 -0.279 1
1 240 . 20 1 1 A 23 23 SER N N 20 117.509 116.205 1.304 1
1 241 . 20 1 1 A 24 24 THR H H 21 8.273 7.923 0.350 1
1 242 . 20 1 1 A 24 24 THR HA H 21 4.026 4.010 0.016 1
1 247 . 20 1 1 A 24 24 THR CA C 21 65.605 66.766 -1.161 1
1 248 . 20 1 1 A 24 24 THR CB C 21 68.013 68.738 -0.725 1
1 250 . 20 1 1 A 24 24 THR N N 21 116.047 117.029 -0.982 1
1 251 . 20 1 1 A 25 25 VAL H H 22 7.075 8.103 -1.028 1
1 252 . 20 1 1 A 25 25 VAL HA H 22 3.507 3.357 0.150 1
1 260 . 20 1 1 A 25 25 VAL CA C 22 65.475 66.881 -1.406 1
1 261 . 20 1 1 A 25 25 VAL CB C 22 31.319 31.018 0.301 1
1 264 . 20 1 1 A 25 25 VAL N N 22 122.543 121.734 0.809 1
1 265 . 20 1 1 A 26 26 ARG H H 23 7.781 7.801 -0.020 1
1 266 . 20 1 1 A 26 26 ARG HA H 23 3.116 4.044 -0.928 1
1 273 . 20 1 1 A 26 26 ARG CA C 23 60.215 58.235 1.980 1
1 274 . 20 1 1 A 26 26 ARG CB C 23 30.555 29.741 0.814 1
1 277 . 20 1 1 A 26 26 ARG N N 23 118.490 119.422 -0.932 1
1 278 . 20 1 1 A 27 27 GLU H H 24 8.107 8.229 -0.122 1
1 279 . 20 1 1 A 27 27 GLU HA H 24 4.031 4.070 -0.039 1
1 284 . 20 1 1 A 27 27 GLU CA C 24 59.421 59.001 0.420 1
1 285 . 20 1 1 A 27 27 GLU CB C 24 29.126 29.221 -0.095 1
1 287 . 20 1 1 A 27 27 GLU N N 24 116.756 118.822 -2.066 1
1 288 . 20 1 1 A 28 28 GLN H H 25 7.760 7.668 0.092 1
1 289 . 20 1 1 A 28 28 GLN HA H 25 4.097 4.006 0.091 1
1 296 . 20 1 1 A 28 28 GLN CA C 25 59.055 58.672 0.383 1
1 297 . 20 1 1 A 28 28 GLN CB C 25 29.925 28.275 1.650 1
1 299 . 20 1 1 A 28 28 GLN N N 25 118.410 119.740 -1.330 1
1 301 . 20 1 1 A 29 29 LEU H H 26 8.631 8.186 0.445 1
1 302 . 20 1 1 A 29 29 LEU HA H 26 4.145 3.975 0.170 1
1 312 . 20 1 1 A 29 29 LEU CA C 26 57.929 58.023 -0.094 1
1 313 . 20 1 1 A 29 29 LEU CB C 26 42.787 41.624 1.163 1
1 317 . 20 1 1 A 29 29 LEU N N 26 119.716 120.051 -0.335 1
1 318 . 20 1 1 A 30 30 LYS H H 27 9.183 7.909 1.274 1
1 319 . 20 1 1 A 30 30 LYS HA H 27 3.981 4.018 -0.037 1
1 328 . 20 1 1 A 30 30 LYS CA C 27 61.364 59.237 2.127 1
1 329 . 20 1 1 A 30 30 LYS CB C 27 32.137 31.732 0.405 1
1 333 . 20 1 1 A 30 30 LYS N N 27 120.836 118.519 2.317 1
1 334 . 20 1 1 A 31 31 LYS H H 28 7.580 7.405 0.175 1
1 335 . 20 1 1 A 31 31 LYS HA H 28 4.050 4.057 -0.007 1
1 344 . 20 1 1 A 31 31 LYS CA C 28 59.586 59.636 -0.050 1
1 345 . 20 1 1 A 31 31 LYS CB C 28 32.373 31.947 0.426 1
1 349 . 20 1 1 A 31 31 LYS N N 28 116.783 119.679 -2.896 1
1 350 . 20 1 1 A 32 32 LYS H H 29 7.300 7.328 -0.028 1
1 351 . 20 1 1 A 32 32 LYS HA H 29 4.090 4.067 0.023 1
1 360 . 20 1 1 A 32 32 LYS CA C 29 57.130 58.968 -1.838 1
1 361 . 20 1 1 A 32 32 LYS N N 29 116.383 118.870 -2.487 1
1 362 . 20 1 1 A 33 33 LEU H H 30 8.722 7.962 0.760 1
1 363 . 20 1 1 A 33 33 LEU HA H 30 3.881 3.950 -0.069 1
1 373 . 20 1 1 A 33 33 LEU CA C 30 57.634 57.452 0.182 1
1 374 . 20 1 1 A 33 33 LEU CB C 30 42.116 41.236 0.880 1
1 378 . 20 1 1 A 33 33 LEU N N 30 121.770 120.083 1.687 1
1 379 . 20 1 1 A 34 34 VAL H H 31 8.067 7.887 0.180 1
1 380 . 20 1 1 A 34 34 VAL HA H 31 3.479 3.803 -0.324 1
1 388 . 20 1 1 A 34 34 VAL CA C 31 66.847 64.802 2.045 1
1 389 . 20 1 1 A 34 34 VAL CB C 31 31.860 31.479 0.381 1
1 392 . 20 1 1 A 34 34 VAL N N 31 118.116 118.782 -0.666 1
1 393 . 20 1 1 A 35 35 GLU H H 32 6.825 7.759 -0.934 1
1 394 . 20 1 1 A 35 35 GLU HA H 32 4.090 4.121 -0.031 1
1 399 . 20 1 1 A 35 35 GLU CA C 32 58.624 58.486 0.138 1
1 400 . 20 1 1 A 35 35 GLU CB C 32 29.746 29.494 0.252 1
1 402 . 20 1 1 A 35 35 GLU N N 32 116.570 120.243 -3.673 1
1 403 . 20 1 1 A 36 36 VAL H H 33 7.785 7.834 -0.049 1
1 404 . 20 1 1 A 36 36 VAL HA H 33 3.484 3.618 -0.134 1
1 412 . 20 1 1 A 36 36 VAL CA C 33 65.213 65.746 -0.533 1
1 413 . 20 1 1 A 36 36 VAL CB C 33 31.932 31.026 0.906 1
1 416 . 20 1 1 A 36 36 VAL N N 33 120.618 120.682 -0.064 1
1 417 . 20 1 1 A 37 37 LEU H H 34 7.956 7.852 0.104 1
1 418 . 20 1 1 A 37 37 LEU HA H 34 3.747 3.913 -0.166 1
1 428 . 20 1 1 A 37 37 LEU CA C 34 57.069 56.791 0.278 1
1 429 . 20 1 1 A 37 37 LEU CB C 34 40.916 41.521 -0.605 1
1 433 . 20 1 1 A 37 37 LEU N N 34 115.476 120.950 -5.474 1
1 434 . 20 1 1 A 38 38 GLU H H 35 7.042 7.616 -0.574 1
1 435 . 20 1 1 A 38 38 GLU HA H 35 4.395 4.262 0.133 1
1 440 . 20 1 1 A 38 38 GLU CA C 35 57.553 57.988 -0.435 1
1 441 . 20 1 1 A 38 38 GLU CB C 35 30.234 30.987 -0.753 1
1 443 . 20 1 1 A 38 38 GLU N N 35 114.356 119.758 -5.402 1
1 444 . 20 1 1 A 39 39 SER H H 36 7.125 8.096 -0.971 1
1 445 . 20 1 1 A 39 39 SER HA H 36 4.593 4.851 -0.258 1
1 448 . 20 1 1 A 39 39 SER CA C 36 55.308 55.375 -0.067 1
1 449 . 20 1 1 A 39 39 SER CB C 36 62.305 63.395 -1.090 1
1 450 . 20 1 1 A 39 39 SER N N 36 109.796 112.327 -2.531 1
1 451 . 20 1 1 A 40 40 PRO HA H 37 4.360 4.366 -0.006 1
1 458 . 20 1 1 A 40 40 PRO CA C 37 64.802 63.580 1.222 1
1 459 . 20 1 1 A 40 40 PRO CB C 37 32.562 32.512 0.050 1
1 462 . 20 1 1 A 41 41 ARG H H 38 8.356 7.940 0.416 1
1 463 . 20 1 1 A 41 41 ARG HA H 38 3.271 4.308 -1.037 1
1 470 . 20 1 1 A 41 41 ARG CA C 38 56.364 55.431 0.933 1
1 471 . 20 1 1 A 41 41 ARG CB C 38 29.580 29.730 -0.150 1
1 474 . 20 1 1 A 41 41 ARG N N 38 120.882 120.386 0.496 1
1 475 . 20 1 1 A 42 42 ILE H H 39 5.973 7.707 -1.734 1
1 476 . 20 1 1 A 42 42 ILE HA H 39 4.216 4.551 -0.335 1
1 486 . 20 1 1 A 42 42 ILE CA C 39 60.301 60.669 -0.368 1
1 487 . 20 1 1 A 42 42 ILE CB C 39 38.705 38.970 -0.265 1
1 491 . 20 1 1 A 42 42 ILE N N 39 127.866 125.267 2.599 1
1 492 . 20 1 1 A 43 43 GLU H H 40 8.860 8.852 0.008 1
1 493 . 20 1 1 A 43 43 GLU HA H 40 4.218 4.225 -0.007 1
1 498 . 20 1 1 A 43 43 GLU CA C 40 59.945 58.755 1.190 1
1 499 . 20 1 1 A 43 43 GLU CB C 40 29.040 29.097 -0.057 1
1 501 . 20 1 1 A 43 43 GLU N N 40 129.498 126.487 3.011 1
1 502 . 20 1 1 A 44 44 ALA H H 41 8.827 7.632 1.195 1
1 503 . 20 1 1 A 44 44 ALA HA H 41 4.241 4.183 0.058 1
1 507 . 20 1 1 A 44 44 ALA CA C 41 54.035 53.708 0.327 1
1 508 . 20 1 1 A 44 44 ALA CB C 41 18.466 18.442 0.024 1
1 509 . 20 1 1 A 44 44 ALA N N 41 119.919 121.777 -1.858 1
1 510 . 20 1 1 A 45 45 ASN H H 42 8.184 8.219 -0.035 1
1 511 . 20 1 1 A 45 45 ASN HA H 42 5.082 4.943 0.139 1
1 516 . 20 1 1 A 45 45 ASN CA C 42 51.401 53.081 -1.680 1
1 517 . 20 1 1 A 45 45 ASN CB C 42 38.684 40.043 -1.359 1
1 518 . 20 1 1 A 45 45 ASN N N 42 114.675 114.880 -0.205 1
1 520 . 20 1 1 A 46 46 LYS H H 43 7.515 7.415 0.100 1
1 521 . 20 1 1 A 46 46 LYS HA H 43 3.741 4.226 -0.485 1
1 530 . 20 1 1 A 46 46 LYS CA C 43 57.354 56.273 1.081 1
1 531 . 20 1 1 A 46 46 LYS CB C 43 32.905 32.570 0.335 1
1 535 . 20 1 1 A 46 46 LYS N N 43 122.167 118.954 3.213 1
1 536 . 20 1 1 A 47 47 LEU H H 44 8.184 7.986 0.198 1
1 537 . 20 1 1 A 47 47 LEU HA H 44 4.297 4.405 -0.108 1
1 547 . 20 1 1 A 47 47 LEU CA C 44 53.422 54.840 -1.418 1
1 548 . 20 1 1 A 47 47 LEU CB C 44 42.208 43.627 -1.419 1
1 552 . 20 1 1 A 47 47 LEU N N 44 127.544 124.465 3.079 1
1 553 . 20 1 1 A 48 48 ARG H H 45 8.706 8.834 -0.128 1
1 554 . 20 1 1 A 48 48 ARG HA H 45 3.918 4.010 -0.092 1
1 561 . 20 1 1 A 48 48 ARG CA C 45 57.765 59.678 -1.913 1
1 562 . 20 1 1 A 48 48 ARG CB C 45 29.686 29.976 -0.290 1
1 565 . 20 1 1 A 48 48 ARG N N 45 128.641 125.887 2.754 1
1 566 . 20 1 1 A 49 49 GLY H H 46 8.543 8.062 0.481 1
1 567 . 20 1 1 A 49 49 GLY HA2 H 46 4.129 3.934 0.195 1
1 568 . 20 1 1 A 49 49 GLY HA3 H 46 3.662 3.936 -0.274 1
1 569 . 20 1 1 A 49 49 GLY CA C 46 44.981 45.261 -0.280 1
1 570 . 20 1 1 A 49 49 GLY N N 46 110.474 106.610 3.864 1
1 571 . 20 1 1 A 50 50 MET H H 47 7.404 7.716 -0.312 1
1 572 . 20 1 1 A 50 50 MET HA H 47 5.226 4.870 0.356 1
1 580 . 20 1 1 A 50 50 MET CA C 47 50.824 52.367 -1.543 1
1 581 . 20 1 1 A 50 50 MET CB C 47 33.186 33.537 -0.351 1
1 584 . 20 1 1 A 50 50 MET N N 47 118.742 118.654 0.088 1
1 585 . 20 1 1 A 51 51 PRO HA H 48 4.344 4.268 0.076 1
1 592 . 20 1 1 A 51 51 PRO CA C 48 63.591 63.737 -0.146 1
1 593 . 20 1 1 A 51 51 PRO CB C 48 31.942 32.169 -0.227 1
1 596 . 20 1 1 A 52 52 ASP H H 49 8.703 8.566 0.137 1
1 597 . 20 1 1 A 52 52 ASP HA H 49 4.392 4.101 0.291 1
1 600 . 20 1 1 A 52 52 ASP CA C 49 56.244 55.710 0.534 1
1 601 . 20 1 1 A 52 52 ASP N N 49 116.361 115.461 0.900 1
1 602 . 20 1 1 A 53 53 CYS H H 50 7.456 7.292 0.164 1
1 603 . 20 1 1 A 53 53 CYS HA H 50 5.799 5.109 0.690 1
1 606 . 20 1 1 A 53 53 CYS CA C 50 58.147 57.049 1.098 1
1 607 . 20 1 1 A 53 53 CYS CB C 50 30.953 30.534 0.419 1
1 608 . 20 1 1 A 53 53 CYS N N 50 114.086 116.957 -2.871 1
1 609 . 20 1 1 A 54 54 TYR H H 51 8.939 8.615 0.324 1
1 610 . 20 1 1 A 54 54 TYR HA H 51 4.662 5.089 -0.427 1
1 617 . 20 1 1 A 54 54 TYR CA C 51 56.444 56.371 0.073 1
1 618 . 20 1 1 A 54 54 TYR CB C 51 43.000 43.168 -0.168 1
1 620 . 20 1 1 A 54 54 TYR N N 51 120.722 120.838 -0.116 1
1 621 . 20 1 1 A 55 55 LYS H H 52 8.665 8.777 -0.112 1
1 622 . 20 1 1 A 55 55 LYS HA H 52 5.456 5.513 -0.057 1
1 631 . 20 1 1 A 55 55 LYS CA C 52 53.968 54.656 -0.688 1
1 632 . 20 1 1 A 55 55 LYS CB C 52 36.126 36.131 -0.005 1
1 636 . 20 1 1 A 55 55 LYS N N 52 117.297 118.292 -0.995 1
1 637 . 20 1 1 A 56 56 ILE H H 53 9.272 9.101 0.171 1
1 638 . 20 1 1 A 56 56 ILE HA H 53 4.428 4.670 -0.242 1
1 648 . 20 1 1 A 56 56 ILE CA C 53 60.803 60.549 0.254 1
1 649 . 20 1 1 A 56 56 ILE CB C 53 40.849 37.878 2.971 1
1 653 . 20 1 1 A 56 56 ILE N N 53 122.006 125.218 -3.212 1
1 654 . 20 1 1 A 57 57 LYS H H 54 8.745 8.703 0.042 1
1 655 . 20 1 1 A 57 57 LYS HA H 54 5.093 5.192 -0.099 1
1 664 . 20 1 1 A 57 57 LYS CA C 54 54.227 55.179 -0.952 1
1 665 . 20 1 1 A 57 57 LYS CB C 54 35.595 34.251 1.344 1
1 669 . 20 1 1 A 57 57 LYS N N 54 125.752 125.510 0.242 1
1 670 . 20 1 1 A 58 58 LEU H H 55 8.543 8.857 -0.314 1
1 671 . 20 1 1 A 58 58 LEU HA H 55 4.788 4.311 0.477 1
1 681 . 20 1 1 A 58 58 LEU CA C 55 53.151 55.150 -1.999 1
1 682 . 20 1 1 A 58 58 LEU CB C 55 41.238 40.878 0.360 1
1 686 . 20 1 1 A 58 58 LEU N N 55 124.173 126.175 -2.002 1
1 687 . 20 1 1 A 59 59 ARG HA H 56 4.039 3.990 0.049 1
1 694 . 20 1 1 A 59 59 ARG CA C 56 59.531 60.296 -0.765 1
1 695 . 20 1 1 A 59 59 ARG CB C 56 32.180 30.203 1.977 1
1 698 . 20 1 1 A 60 60 SER HA H 57 4.335 4.412 -0.077 1
1 701 . 20 1 1 A 60 60 SER CA C 57 60.035 61.374 -1.339 1
1 702 . 20 1 1 A 60 60 SER CB C 57 62.551 63.584 -1.033 1
1 703 . 20 1 1 A 61 61 SER H H 58 7.605 7.894 -0.289 1
1 704 . 20 1 1 A 61 61 SER HA H 58 4.604 4.588 0.016 1
1 707 . 20 1 1 A 61 61 SER CA C 58 58.122 59.424 -1.302 1
1 708 . 20 1 1 A 61 61 SER CB C 58 64.520 63.767 0.753 1
1 709 . 20 1 1 A 61 61 SER N N 58 112.447 113.941 -1.494 1
1 710 . 20 1 1 A 62 62 GLY H H 59 8.214 8.412 -0.198 1
1 711 . 20 1 1 A 62 62 GLY HA2 H 59 4.091 3.926 0.165 1
1 712 . 20 1 1 A 62 62 GLY HA3 H 59 3.824 3.964 -0.140 1
1 713 . 20 1 1 A 62 62 GLY CA C 59 45.562 45.804 -0.242 1
1 714 . 20 1 1 A 62 62 GLY N N 59 108.976 110.117 -1.141 1
1 715 . 20 1 1 A 63 63 TYR H H 60 7.283 8.115 -0.832 1
1 716 . 20 1 1 A 63 63 TYR HA H 60 4.619 4.634 -0.015 1
1 723 . 20 1 1 A 63 63 TYR CA C 60 60.412 58.152 2.260 1
1 724 . 20 1 1 A 63 63 TYR CB C 60 40.339 40.004 0.335 1
1 727 . 20 1 1 A 63 63 TYR N N 60 117.859 120.013 -2.154 1
1 728 . 20 1 1 A 64 64 ARG H H 61 9.296 9.025 0.271 1
1 729 . 20 1 1 A 64 64 ARG HA H 61 5.634 5.821 -0.187 1
1 736 . 20 1 1 A 64 64 ARG CA C 61 54.114 54.940 -0.826 1
1 737 . 20 1 1 A 64 64 ARG CB C 61 33.245 34.515 -1.270 1
1 740 . 20 1 1 A 64 64 ARG N N 61 117.912 119.021 -1.109 1
1 741 . 20 1 1 A 65 65 LEU H H 62 9.077 8.938 0.139 1
1 742 . 20 1 1 A 65 65 LEU HA H 62 5.459 5.263 0.196 1
1 752 . 20 1 1 A 65 65 LEU CA C 62 54.114 54.012 0.102 1
1 753 . 20 1 1 A 65 65 LEU CB C 62 46.977 45.280 1.697 1
1 757 . 20 1 1 A 65 65 LEU N N 62 123.590 122.930 0.660 1
1 758 . 20 1 1 A 66 66 VAL H H 63 8.729 9.106 -0.377 1
1 759 . 20 1 1 A 66 66 VAL HA H 63 5.206 4.818 0.388 1
1 767 . 20 1 1 A 66 66 VAL CA C 63 60.112 61.501 -1.389 1
1 768 . 20 1 1 A 66 66 VAL CB C 63 34.296 32.394 1.902 1
1 771 . 20 1 1 A 66 66 VAL N N 63 123.237 129.186 -5.949 1
1 772 . 20 1 1 A 67 67 TYR H H 64 8.976 8.927 0.049 1
1 773 . 20 1 1 A 67 67 TYR HA H 64 5.745 5.455 0.290 1
1 780 . 20 1 1 A 67 67 TYR CA C 64 53.968 55.322 -1.354 1
1 781 . 20 1 1 A 67 67 TYR CB C 64 42.534 42.056 0.478 1
1 784 . 20 1 1 A 67 67 TYR N N 64 124.227 124.317 -0.090 1
1 785 . 20 1 1 A 68 68 GLN H H 65 9.696 8.914 0.782 1
1 786 . 20 1 1 A 68 68 GLN HA H 65 5.640 5.128 0.512 1
1 793 . 20 1 1 A 68 68 GLN CA C 65 52.933 54.066 -1.133 1
1 794 . 20 1 1 A 68 68 GLN CB C 65 33.585 32.412 1.173 1
1 796 . 20 1 1 A 68 68 GLN N N 65 122.541 120.047 2.494 1
1 798 . 20 1 1 A 69 69 VAL H H 66 9.050 9.306 -0.256 1
1 799 . 20 1 1 A 69 69 VAL HA H 66 4.513 4.600 -0.087 1
1 807 . 20 1 1 A 69 69 VAL CA C 66 62.534 62.433 0.101 1
1 808 . 20 1 1 A 69 69 VAL CB C 66 33.052 31.686 1.366 1
1 811 . 20 1 1 A 69 69 VAL N N 66 127.437 126.466 0.971 1
1 812 . 20 1 1 A 70 70 ILE H H 67 9.385 9.123 0.262 1
1 813 . 20 1 1 A 70 70 ILE HA H 67 4.475 4.393 0.082 1
1 823 . 20 1 1 A 70 70 ILE CA C 67 59.863 61.045 -1.182 1
1 824 . 20 1 1 A 70 70 ILE CB C 67 37.487 37.135 0.352 1
1 828 . 20 1 1 A 70 70 ILE N N 67 129.296 128.331 0.965 1
1 829 . 20 1 1 A 71 71 ASP H H 68 9.343 9.037 0.306 1
1 830 . 20 1 1 A 71 71 ASP HA H 68 4.595 4.413 0.182 1
1 833 . 20 1 1 A 71 71 ASP CA C 68 58.841 57.863 0.978 1
1 834 . 20 1 1 A 71 71 ASP CB C 68 40.637 40.967 -0.330 1
1 835 . 20 1 1 A 71 71 ASP N N 68 128.749 128.990 -0.241 1
1 836 . 20 1 1 A 72 72 GLU H H 69 9.718 9.251 0.467 1
1 837 . 20 1 1 A 72 72 GLU HA H 69 4.124 4.110 0.014 1
1 842 . 20 1 1 A 72 72 GLU CA C 69 59.335 58.411 0.924 1
1 843 . 20 1 1 A 72 72 GLU CB C 69 29.131 27.943 1.188 1
1 845 . 20 1 1 A 72 72 GLU N N 69 118.929 116.584 2.345 1
1 846 . 20 1 1 A 73 73 LYS H H 70 6.653 7.653 -1.000 1
1 847 . 20 1 1 A 73 73 LYS HA H 70 4.517 4.463 0.054 1
1 856 . 20 1 1 A 73 73 LYS CA C 70 54.587 55.520 -0.933 1
1 857 . 20 1 1 A 73 73 LYS CB C 70 33.843 33.858 -0.015 1
1 861 . 20 1 1 A 73 73 LYS N N 70 114.113 118.303 -4.190 1
1 862 . 20 1 1 A 74 74 VAL H H 71 7.832 7.911 -0.079 1
1 863 . 20 1 1 A 74 74 VAL HA H 71 3.012 3.632 -0.620 1
1 871 . 20 1 1 A 74 74 VAL CA C 71 63.090 63.220 -0.130 1
1 872 . 20 1 1 A 74 74 VAL CB C 71 29.226 29.284 -0.058 1
1 875 . 20 1 1 A 74 74 VAL N N 71 119.223 116.575 2.648 1
1 876 . 20 1 1 A 75 75 VAL H H 72 7.732 7.980 -0.248 1
1 877 . 20 1 1 A 75 75 VAL HA H 72 4.950 5.104 -0.154 1
1 885 . 20 1 1 A 75 75 VAL CA C 72 60.455 60.592 -0.137 1
1 886 . 20 1 1 A 75 75 VAL CB C 72 37.925 35.528 2.397 1
1 889 . 20 1 1 A 75 75 VAL N N 72 117.190 120.405 -3.215 1
1 890 . 20 1 1 A 76 76 VAL H H 73 9.026 8.830 0.196 1
1 891 . 20 1 1 A 76 76 VAL HA H 73 4.349 4.731 -0.382 1
1 899 . 20 1 1 A 76 76 VAL CA C 73 62.527 61.776 0.751 1
1 900 . 20 1 1 A 76 76 VAL CB C 73 32.882 31.310 1.572 1
1 903 . 20 1 1 A 76 76 VAL N N 73 128.347 128.058 0.289 1
1 904 . 20 1 1 A 77 77 PHE H H 74 9.629 9.132 0.497 1
1 905 . 20 1 1 A 77 77 PHE HA H 74 5.898 4.981 0.917 1
1 913 . 20 1 1 A 77 77 PHE CA C 74 51.863 56.112 -4.249 1
1 914 . 20 1 1 A 77 77 PHE CB C 74 40.214 40.428 -0.214 1
1 918 . 20 1 1 A 77 77 PHE N N 74 128.802 129.023 -0.221 1
1 919 . 20 1 1 A 78 78 VAL H H 75 9.535 8.903 0.632 1
1 920 . 20 1 1 A 78 78 VAL HA H 75 3.712 3.914 -0.202 1
1 928 . 20 1 1 A 78 78 VAL CA C 75 63.939 62.904 1.035 1
1 929 . 20 1 1 A 78 78 VAL CB C 75 31.079 30.725 0.354 1
1 932 . 20 1 1 A 78 78 VAL N N 75 128.588 127.901 0.687 1
1 933 . 20 1 1 A 79 79 ILE H H 76 8.515 8.863 -0.348 1
1 934 . 20 1 1 A 79 79 ILE HA H 76 3.443 3.789 -0.346 1
1 944 . 20 1 1 A 79 79 ILE CA C 76 61.950 62.362 -0.412 1
1 945 . 20 1 1 A 79 79 ILE CB C 76 40.800 38.488 2.312 1
1 949 . 20 1 1 A 79 79 ILE N N 76 126.287 128.924 -2.637 1
1 950 . 20 1 1 A 80 80 SER H H 77 7.180 7.556 -0.376 1
1 951 . 20 1 1 A 80 80 SER HA H 77 4.506 5.120 -0.614 1
1 954 . 20 1 1 A 80 80 SER CA C 77 57.464 57.693 -0.229 1
1 955 . 20 1 1 A 80 80 SER CB C 77 64.912 66.662 -1.750 1
1 956 . 20 1 1 A 80 80 SER N N 77 111.625 115.735 -4.110 1
1 957 . 20 1 1 A 81 81 VAL H H 78 8.641 8.606 0.035 1
1 958 . 20 1 1 A 81 81 VAL HA H 78 5.066 5.227 -0.161 1
1 966 . 20 1 1 A 81 81 VAL CA C 78 60.913 60.892 0.021 1
1 967 . 20 1 1 A 81 81 VAL CB C 78 35.010 35.220 -0.210 1
1 970 . 20 1 1 A 81 81 VAL N N 78 126.742 123.452 3.290 1
1 971 . 20 1 1 A 82 82 GLY H H 79 8.658 8.527 0.131 1
1 972 . 20 1 1 A 82 82 GLY HA2 H 79 4.370 4.277 0.093 1
1 973 . 20 1 1 A 82 82 GLY HA3 H 79 4.160 4.469 -0.309 1
1 974 . 20 1 1 A 82 82 GLY CA C 79 46.036 44.533 1.503 1
1 975 . 20 1 1 A 82 82 GLY N N 79 111.223 111.999 -0.776 1
1 976 . 20 1 1 A 83 83 LYS H H 80 8.569 8.277 0.292 1
1 977 . 20 1 1 A 83 83 LYS HA H 80 4.369 4.597 -0.228 1
1 986 . 20 1 1 A 83 83 LYS CA C 80 54.855 55.101 -0.246 1
1 987 . 20 1 1 A 83 83 LYS CB C 80 34.866 32.401 2.465 1
1 991 . 20 1 1 A 83 83 LYS N N 80 121.257 120.361 0.896 1
1 992 . 20 1 1 A 84 84 ALA H H 81 8.334 8.652 -0.318 1
1 993 . 20 1 1 A 84 84 ALA HA H 81 4.274 4.641 -0.367 1
1 997 . 20 1 1 A 84 84 ALA CA C 81 52.003 50.640 1.363 1
1 998 . 20 1 1 A 84 84 ALA CB C 81 19.185 19.311 -0.126 1
1 999 . 20 1 1 A 84 84 ALA N N 81 126.662 128.445 -1.783 1
1 1000 . 20 1 1 A 85 85 GLU H H 82 8.638 8.439 0.199 1
1 1001 . 20 1 1 A 85 85 GLU HA H 82 4.214 3.995 0.219 1
1 1006 . 20 1 1 A 85 85 GLU CA C 82 56.366 57.261 -0.895 1
1 1007 . 20 1 1 A 85 85 GLU CB C 82 30.238 28.210 2.028 1
1 1009 . 20 1 1 A 85 85 GLU N N 82 121.819 121.938 -0.119 1
1 1010 . 20 1 1 A 86 86 ALA H H 83 8.462 8.330 0.132 1
1 1011 . 20 1 1 A 86 86 ALA HA H 83 4.341 4.694 -0.353 1
1 1015 . 20 1 1 A 86 86 ALA CA C 83 52.156 51.268 0.888 1
1 1016 . 20 1 1 A 86 86 ALA CB C 83 19.206 19.873 -0.667 1
1 1017 . 20 1 1 A 86 86 ALA N N 83 125.350 127.364 -2.014 1
1 1018 . 20 1 1 A 87 87 SER H H 84 8.309 8.681 -0.372 1
1 1019 . 20 1 1 A 87 87 SER HA H 84 4.400 4.691 -0.291 1
1 1022 . 20 1 1 A 87 87 SER CA C 84 58.058 59.723 -1.665 1
1 1023 . 20 1 1 A 87 87 SER CB C 84 63.845 64.085 -0.240 1
1 1024 . 20 1 1 A 87 87 SER N N 84 115.397 113.585 1.812 1
1 1025 . 20 1 1 A 88 88 GLU H H 85 8.443 8.792 -0.349 1
1 1026 . 20 1 1 A 88 88 GLU HA H 85 4.318 4.371 -0.053 1
1 1031 . 20 1 1 A 88 88 GLU CA C 85 56.465 55.829 0.636 1
1 1032 . 20 1 1 A 88 88 GLU CB C 85 30.464 30.400 0.064 1
1 1034 . 20 1 1 A 88 88 GLU N N 85 122.947 116.933 6.014 1
1 1035 . 20 1 1 A 89 89 VAL H H 86 8.098 7.685 0.413 1
1 1036 . 20 1 1 A 89 89 VAL HA H 86 4.044 3.592 0.452 1
1 1044 . 20 1 1 A 89 89 VAL CA C 86 62.293 66.101 -3.808 1
1 1045 . 20 1 1 A 89 89 VAL CB C 86 32.703 31.537 1.166 1
1 1048 . 20 1 1 A 89 89 VAL N N 86 120.884 121.162 -0.278 1
1 1049 . 20 1 1 A 90 90 TYR H H 87 8.313 8.385 -0.072 1
1 1050 . 20 1 1 A 90 90 TYR HA H 87 4.623 4.460 0.163 1
1 1057 . 20 1 1 A 90 90 TYR CA C 87 57.791 58.826 -1.035 1
1 1058 . 20 1 1 A 90 90 TYR CB C 87 38.795 36.908 1.887 1
1 1061 . 20 1 1 A 90 90 TYR N N 87 124.634 119.826 4.808 1
1 1062 . 20 1 1 A 91 91 SER H H 88 8.140 7.711 0.429 1
1 1063 . 20 1 1 A 91 91 SER HA H 88 4.411 4.152 0.259 1
1 1066 . 20 1 1 A 91 91 SER CA C 88 58.396 61.095 -2.699 1
1 1067 . 20 1 1 A 91 91 SER CB C 88 63.703 62.850 0.853 1
1 1068 . 20 1 1 A 91 91 SER N N 88 118.447 116.342 2.105 1
1 1069 . 20 1 1 A 92 92 GLU H H 89 8.400 7.813 0.587 1
1 1070 . 20 1 1 A 92 92 GLU HA H 89 4.245 4.181 0.064 1
1 1075 . 20 1 1 A 92 92 GLU CA C 89 56.465 58.508 -2.043 1
1 1076 . 20 1 1 A 92 92 GLU CB C 89 29.471 29.507 -0.036 1
1 1078 . 20 1 1 A 92 92 GLU N N 89 122.947 119.461 3.486 1
1 1079 . 20 1 1 A 93 93 ALA H H 90 8.224 7.352 0.872 1
1 1080 . 20 1 1 A 93 93 ALA HA H 90 4.287 4.349 -0.062 1
1 1084 . 20 1 1 A 93 93 ALA CA C 90 52.598 51.647 0.951 1
1 1085 . 20 1 1 A 93 93 ALA CB C 90 18.864 17.896 0.968 1
1 1086 . 20 1 1 A 93 93 ALA N N 90 124.404 122.502 1.902 1
1 1087 . 20 1 1 A 94 94 VAL H H 91 7.971 8.242 -0.271 1
1 1088 . 20 1 1 A 94 94 VAL HA H 91 4.060 4.120 -0.060 1
1 1096 . 20 1 1 A 94 94 VAL CA C 91 62.072 61.769 0.303 1
1 1097 . 20 1 1 A 94 94 VAL CB C 91 32.601 32.198 0.403 1
1 1100 . 20 1 1 A 94 94 VAL N N 91 119.330 119.824 -0.494 1
1 1101 . 20 1 1 A 95 95 LYS H H 92 8.271 8.426 -0.155 1
1 1102 . 20 1 1 A 95 95 LYS HA H 92 4.313 4.704 -0.391 1
1 1111 . 20 1 1 A 95 95 LYS CA C 92 56.078 56.589 -0.511 1
1 1112 . 20 1 1 A 95 95 LYS CB C 92 32.924 33.461 -0.537 1
1 1116 . 20 1 1 A 95 95 LYS N N 92 124.941 121.792 3.149 1
1 1117 . 20 1 1 A 96 96 ARG H H 93 8.317 7.926 0.391 1
1 1118 . 20 1 1 A 96 96 ARG HA H 93 4.360 4.261 0.099 1
1 1125 . 20 1 1 A 96 96 ARG CA C 93 55.901 58.827 -2.926 1
1 1126 . 20 1 1 A 96 96 ARG CB C 93 30.906 30.729 0.177 1
1 1129 . 20 1 1 A 96 96 ARG N N 93 122.918 117.717 5.201 1
1 1130 . 20 1 1 A 97 97 ILE H H 94 8.251 7.496 0.755 1
1 1131 . 20 1 1 A 97 97 ILE HA H 94 4.184 4.842 -0.658 1
1 1141 . 20 1 1 A 97 97 ILE CA C 94 60.946 58.639 2.307 1
1 1142 . 20 1 1 A 97 97 ILE CB C 94 38.298 41.063 -2.765 1
1 1146 . 20 1 1 A 97 97 ILE N N 94 123.301 114.317 8.984 1
1 1191 . 20 2 2 B 5 5 GLN H H 48 8.533 8.505 0.028 1
1 1192 . 20 2 2 B 5 5 GLN HA H 48 4.390 4.450 -0.060 1
1 1199 . 20 2 2 B 5 5 GLN C C 48 175.953 175.163 0.790 1
1 1200 . 20 2 2 B 5 5 GLN CA C 48 55.760 55.740 0.020 1
1 1201 . 20 2 2 B 5 5 GLN CB C 48 29.225 27.502 1.723 1
1 1203 . 20 2 2 B 5 5 GLN N N 48 122.121 120.265 1.856 1
1 1205 . 20 2 2 B 6 6 THR H H 49 8.281 8.266 0.015 1
1 1206 . 20 2 2 B 6 6 THR HA H 49 4.316 5.261 -0.945 1
1 1211 . 20 2 2 B 6 6 THR C C 49 174.156 174.507 -0.351 1
1 1212 . 20 2 2 B 6 6 THR CA C 49 61.724 59.389 2.335 1
1 1213 . 20 2 2 B 6 6 THR CB C 49 69.452 71.140 -1.688 1
1 1215 . 20 2 2 B 6 6 THR N N 49 116.639 112.809 3.830 1
1 1216 . 20 2 2 B 7 7 LEU H H 50 8.328 8.527 -0.199 1
1 1217 . 20 2 2 B 7 7 LEU HA H 50 4.381 4.494 -0.113 1
1 1227 . 20 2 2 B 7 7 LEU C C 50 176.985 174.883 2.102 1
1 1228 . 20 2 2 B 7 7 LEU CA C 50 55.093 54.518 0.575 1
1 1229 . 20 2 2 B 7 7 LEU CB C 50 42.122 39.708 2.414 1
1 1233 . 20 2 2 B 7 7 LEU N N 50 125.001 124.699 0.302 1
1 1234 . 20 2 2 B 8 8 LEU H H 51 8.264 8.112 0.152 1
1 1235 . 20 2 2 B 8 8 LEU HA H 51 4.410 4.805 -0.395 1
1 1245 . 20 2 2 B 8 8 LEU C C 51 177.235 175.059 2.176 1
1 1246 . 20 2 2 B 8 8 LEU CA C 51 54.936 53.794 1.142 1
1 1247 . 20 2 2 B 8 8 LEU CB C 51 42.292 45.466 -3.174 1
1 1251 . 20 2 2 B 8 8 LEU N N 51 123.073 117.628 5.445 1
1 1252 . 20 2 2 B 9 9 SER H H 52 8.499 9.212 -0.713 1
1 1253 . 20 2 2 B 9 9 SER HA H 52 4.410 4.770 -0.360 1
1 1256 . 20 2 2 B 9 9 SER C C 52 174.083 172.810 1.273 1
1 1257 . 20 2 2 B 9 9 SER CA C 52 57.757 55.990 1.767 1
1 1258 . 20 2 2 B 9 9 SER CB C 52 63.734 65.225 -1.491 1
1 1259 . 20 2 2 B 9 9 SER N N 52 117.150 114.568 2.582 1
1 1260 . 20 2 2 B 10 10 ASP H H 53 8.416 8.966 -0.550 1
1 1261 . 20 2 2 B 10 10 ASP HA H 53 4.575 4.609 -0.034 1
1 1264 . 20 2 2 B 10 10 ASP C C 53 176.911 178.063 -1.152 1
1 1265 . 20 2 2 B 10 10 ASP CA C 53 54.678 55.650 -0.972 1
1 1266 . 20 2 2 B 10 10 ASP CB C 53 40.771 40.517 0.254 1
1 1267 . 20 2 2 B 10 10 ASP N N 53 122.632 123.167 -0.535 1
1 1268 . 20 2 2 B 11 11 GLU H H 54 8.486 8.756 -0.270 1
1 1269 . 20 2 2 B 11 11 GLU HA H 54 4.155 4.076 0.079 1
1 1274 . 20 2 2 B 11 11 GLU C C 54 177.220 178.243 -1.023 1
1 1275 . 20 2 2 B 11 11 GLU CA C 54 58.488 59.356 -0.868 1
1 1276 . 20 2 2 B 11 11 GLU CB C 54 29.615 29.021 0.594 1
1 1278 . 20 2 2 B 11 11 GLU N N 54 121.842 118.542 3.300 1
1 1279 . 20 2 2 B 12 12 ASP H H 55 8.301 7.852 0.449 1
1 1280 . 20 2 2 B 12 12 ASP HA H 55 4.470 4.287 0.183 1
1 1283 . 20 2 2 B 12 12 ASP C C 55 177.161 178.494 -1.333 1
1 1284 . 20 2 2 B 12 12 ASP CA C 55 55.901 57.214 -1.313 1
1 1285 . 20 2 2 B 12 12 ASP CB C 55 40.503 40.178 0.325 1
1 1286 . 20 2 2 B 12 12 ASP N N 55 120.309 120.418 -0.109 1
1 1287 . 20 2 2 B 13 13 ALA H H 56 8.114 8.248 -0.134 1
1 1288 . 20 2 2 B 13 13 ALA HA H 56 3.986 3.975 0.011 1
1 1292 . 20 2 2 B 13 13 ALA C C 56 180.446 180.093 0.353 1
1 1293 . 20 2 2 B 13 13 ALA CA C 56 55.422 55.100 0.322 1
1 1294 . 20 2 2 B 13 13 ALA CB C 56 18.001 18.124 -0.123 1
1 1295 . 20 2 2 B 13 13 ALA N N 56 122.864 122.720 0.144 1
1 1296 . 20 2 2 B 14 14 GLU H H 57 8.105 7.627 0.478 1
1 1297 . 20 2 2 B 14 14 GLU HA H 57 4.010 4.088 -0.078 1
1 1302 . 20 2 2 B 14 14 GLU C C 57 178.914 179.421 -0.507 1
1 1303 . 20 2 2 B 14 14 GLU CA C 57 59.175 59.789 -0.614 1
1 1304 . 20 2 2 B 14 14 GLU CB C 57 28.904 30.292 -1.388 1
1 1306 . 20 2 2 B 14 14 GLU N N 57 117.931 118.187 -0.256 1
1 1307 . 20 2 2 B 15 15 LEU H H 58 7.813 7.904 -0.091 1
1 1308 . 20 2 2 B 15 15 LEU HA H 58 4.062 4.040 0.022 1
1 1318 . 20 2 2 B 15 15 LEU C C 58 178.634 179.532 -0.898 1
1 1319 . 20 2 2 B 15 15 LEU CA C 58 56.960 57.925 -0.965 1
1 1320 . 20 2 2 B 15 15 LEU CB C 58 41.973 41.748 0.225 1
1 1324 . 20 2 2 B 15 15 LEU N N 58 119.867 120.274 -0.407 1
1 1325 . 20 2 2 B 16 16 VAL H H 59 8.491 7.866 0.625 1
1 1326 . 20 2 2 B 16 16 VAL HA H 59 3.365 3.864 -0.499 1
1 1334 . 20 2 2 B 16 16 VAL C C 59 177.147 177.128 0.019 1
1 1335 . 20 2 2 B 16 16 VAL CA C 59 67.142 65.578 1.564 1
1 1336 . 20 2 2 B 16 16 VAL CB C 59 31.176 31.425 -0.249 1
1 1339 . 20 2 2 B 16 16 VAL N N 59 118.357 115.086 3.271 1
1 1340 . 20 2 2 B 17 17 GLU H H 60 7.411 8.407 -0.996 1
1 1341 . 20 2 2 B 17 17 GLU HA H 60 4.015 4.164 -0.149 1
1 1346 . 20 2 2 B 17 17 GLU C C 60 179.636 178.502 1.134 1
1 1347 . 20 2 2 B 17 17 GLU CA C 60 59.203 58.632 0.571 1
1 1348 . 20 2 2 B 17 17 GLU CB C 60 28.970 29.451 -0.481 1
1 1350 . 20 2 2 B 17 17 GLU N N 60 117.103 120.126 -3.023 1
1 1351 . 20 2 2 B 18 18 ILE H H 61 7.574 7.483 0.091 1
1 1352 . 20 2 2 B 18 18 ILE HA H 61 3.830 3.835 -0.005 1
1 1362 . 20 2 2 B 18 18 ILE C C 61 178.001 178.047 -0.046 1
1 1363 . 20 2 2 B 18 18 ILE CA C 61 63.982 64.263 -0.281 1
1 1364 . 20 2 2 B 18 18 ILE CB C 61 38.483 37.659 0.824 1
1 1368 . 20 2 2 B 18 18 ILE N N 61 120.727 121.432 -0.705 1
1 1369 . 20 2 2 B 19 19 VAL H H 62 8.294 8.152 0.142 1
1 1370 . 20 2 2 B 19 19 VAL HA H 62 3.360 3.720 -0.360 1
1 1378 . 20 2 2 B 19 19 VAL C C 62 177.338 177.566 -0.228 1
1 1379 . 20 2 2 B 19 19 VAL CA C 62 66.364 65.511 0.853 1
1 1380 . 20 2 2 B 19 19 VAL CB C 62 31.203 31.404 -0.201 1
1 1383 . 20 2 2 B 19 19 VAL N N 62 119.635 121.230 -1.595 1
1 1384 . 20 2 2 B 20 20 LYS H H 63 8.780 7.964 0.816 1
1 1385 . 20 2 2 B 20 20 LYS HA H 63 3.784 3.988 -0.204 1
1 1394 . 20 2 2 B 20 20 LYS C C 63 179.209 178.716 0.493 1
1 1395 . 20 2 2 B 20 20 LYS CA C 63 60.096 58.813 1.283 1
1 1396 . 20 2 2 B 20 20 LYS CB C 63 32.673 31.905 0.768 1
1 1400 . 20 2 2 B 20 20 LYS N N 63 118.009 120.640 -2.631 1
1 1401 . 20 2 2 B 21 21 GLU H H 64 7.567 8.016 -0.449 1
1 1402 . 20 2 2 B 21 21 GLU HA H 64 4.084 4.059 0.025 1
1 1407 . 20 2 2 B 21 21 GLU C C 64 179.592 179.634 -0.042 1
1 1408 . 20 2 2 B 21 21 GLU CA C 64 58.728 59.247 -0.519 1
1 1409 . 20 2 2 B 21 21 GLU CB C 64 28.974 29.349 -0.375 1
1 1411 . 20 2 2 B 21 21 GLU N N 64 117.452 119.898 -2.446 1
1 1412 . 20 2 2 B 22 22 ARG H H 65 8.156 7.845 0.311 1
1 1413 . 20 2 2 B 22 22 ARG HA H 65 4.053 4.096 -0.043 1
1 1420 . 20 2 2 B 22 22 ARG C C 65 177.986 178.066 -0.080 1
1 1421 . 20 2 2 B 22 22 ARG CA C 65 61.243 58.469 2.774 1
1 1422 . 20 2 2 B 22 22 ARG CB C 65 29.980 30.256 -0.276 1
1 1425 . 20 2 2 B 22 22 ARG N N 65 119.635 120.076 -0.441 1
1 1426 . 20 2 2 B 23 23 LEU H H 66 8.436 7.905 0.531 1
1 1427 . 20 2 2 B 23 23 LEU HA H 66 4.106 4.205 -0.099 1
1 1437 . 20 2 2 B 23 23 LEU C C 66 178.620 178.478 0.142 1
1 1438 . 20 2 2 B 23 23 LEU CA C 66 56.667 56.571 0.096 1
1 1439 . 20 2 2 B 23 23 LEU CB C 66 41.465 42.203 -0.738 1
1 1443 . 20 2 2 B 23 23 LEU N N 66 115.686 121.719 -6.033 1
1 1444 . 20 2 2 B 24 24 ARG H H 67 7.404 8.325 -0.921 1
1 1445 . 20 2 2 B 24 24 ARG HA H 67 4.165 4.162 0.003 1
1 1452 . 20 2 2 B 24 24 ARG C C 67 177.147 176.253 0.894 1
1 1453 . 20 2 2 B 24 24 ARG CA C 67 59.004 57.810 1.194 1
1 1454 . 20 2 2 B 24 24 ARG CB C 67 30.472 29.482 0.990 1
1 1457 . 20 2 2 B 24 24 ARG N N 67 118.427 116.527 1.900 1
1 1458 . 20 2 2 B 25 25 ASN H H 68 7.322 7.422 -0.100 1
1 1459 . 20 2 2 B 25 25 ASN HA H 68 5.064 4.959 0.105 1
1 1464 . 20 2 2 B 25 25 ASN CA C 68 51.014 51.311 -0.297 1
1 1465 . 20 2 2 B 25 25 ASN CB C 68 38.696 39.061 -0.365 1
1 1466 . 20 2 2 B 25 25 ASN N N 68 114.083 116.986 -2.903 1
1 1468 . 20 2 2 B 26 26 PRO HA H 69 4.521 4.458 0.063 1
1 1475 . 20 2 2 B 26 26 PRO C C 69 177.323 177.124 0.199 1
1 1476 . 20 2 2 B 26 26 PRO CA C 69 63.698 64.888 -1.190 1
1 1477 . 20 2 2 B 26 26 PRO CB C 69 33.286 32.059 1.227 1
1 1480 . 20 2 2 B 27 27 LYS H H 70 8.672 7.980 0.692 1
1 1481 . 20 2 2 B 27 27 LYS HA H 70 4.980 3.965 1.015 1
1 1490 . 20 2 2 B 27 27 LYS CA C 70 52.767 56.547 -3.780 1
1 1491 . 20 2 2 B 27 27 LYS CB C 70 33.540 31.017 2.523 1
1 1495 . 20 2 2 B 27 27 LYS N N 70 121.210 115.841 5.369 1
1 1496 . 20 2 2 B 28 28 PRO HA H 71 4.467 4.798 -0.331 1
1 1503 . 20 2 2 B 28 28 PRO C C 71 177.235 175.486 1.749 1
1 1504 . 20 2 2 B 28 28 PRO CA C 71 63.859 62.346 1.513 1
1 1505 . 20 2 2 B 28 28 PRO CB C 71 32.632 32.653 -0.021 1
1 1508 . 20 2 2 B 29 29 VAL H H 72 9.036 8.455 0.581 1
1 1509 . 20 2 2 B 29 29 VAL HA H 72 4.155 4.569 -0.414 1
1 1517 . 20 2 2 B 29 29 VAL C C 72 174.554 175.441 -0.887 1
1 1518 . 20 2 2 B 29 29 VAL CA C 72 61.506 60.775 0.731 1
1 1519 . 20 2 2 B 29 29 VAL CB C 72 34.764 34.686 0.078 1
1 1522 . 20 2 2 B 29 29 VAL N N 72 124.322 120.741 3.581 1
1 1523 . 20 2 2 B 30 30 ARG H H 73 8.437 8.664 -0.227 1
1 1524 . 20 2 2 B 30 30 ARG HA H 73 5.195 4.401 0.794 1
1 1531 . 20 2 2 B 30 30 ARG C C 73 176.248 176.223 0.025 1
1 1532 . 20 2 2 B 30 30 ARG CA C 73 55.189 56.204 -1.015 1
1 1533 . 20 2 2 B 30 30 ARG CB C 73 27.764 30.725 -2.961 1
1 1536 . 20 2 2 B 30 30 ARG N N 73 129.461 127.541 1.920 1
1 1537 . 20 2 2 B 31 31 VAL H H 74 8.822 8.823 -0.001 1
1 1538 . 20 2 2 B 31 31 VAL HA H 74 4.889 5.075 -0.186 1
1 1546 . 20 2 2 B 31 31 VAL C C 74 173.965 173.827 0.138 1
1 1547 . 20 2 2 B 31 31 VAL CA C 74 59.055 59.032 0.023 1
1 1548 . 20 2 2 B 31 31 VAL CB C 74 35.653 36.430 -0.777 1
1 1551 . 20 2 2 B 31 31 VAL N N 74 123.375 118.294 5.081 1
1 1552 . 20 2 2 B 32 32 THR H H 75 7.855 8.345 -0.490 1
1 1553 . 20 2 2 B 32 32 THR HA H 75 4.730 5.066 -0.336 1
1 1558 . 20 2 2 B 32 32 THR C C 75 175.865 175.415 0.450 1
1 1559 . 20 2 2 B 32 32 THR CA C 75 59.052 59.112 -0.060 1
1 1560 . 20 2 2 B 32 32 THR CB C 75 71.228 71.986 -0.758 1
1 1562 . 20 2 2 B 32 32 THR N N 75 109.507 111.281 -1.774 1
1 1563 . 20 2 2 B 33 33 LEU H H 76 8.841 8.951 -0.110 1
1 1564 . 20 2 2 B 33 33 LEU HA H 76 3.773 3.991 -0.218 1
1 1574 . 20 2 2 B 33 33 LEU C C 76 178.737 178.764 -0.027 1
1 1575 . 20 2 2 B 33 33 LEU CA C 76 57.892 57.874 0.018 1
1 1576 . 20 2 2 B 33 33 LEU CB C 76 41.057 41.471 -0.414 1
1 1580 . 20 2 2 B 33 33 LEU N N 76 121.099 122.603 -1.504 1
1 1581 . 20 2 2 B 34 34 ASP H H 77 7.983 8.062 -0.079 1
1 1582 . 20 2 2 B 34 34 ASP HA H 77 4.431 4.437 -0.006 1
1 1585 . 20 2 2 B 34 34 ASP C C 77 177.088 177.464 -0.376 1
1 1586 . 20 2 2 B 34 34 ASP CA C 77 55.837 56.881 -1.044 1
1 1587 . 20 2 2 B 34 34 ASP CB C 77 40.498 41.153 -0.655 1
1 1588 . 20 2 2 B 34 34 ASP N N 77 113.851 119.608 -5.757 1
1 1589 . 20 2 2 B 35 35 GLU H H 78 7.561 8.204 -0.643 1
1 1590 . 20 2 2 B 35 35 GLU HA H 78 4.320 4.365 -0.045 1
1 1595 . 20 2 2 B 35 35 GLU C C 78 175.482 176.570 -1.088 1
1 1596 . 20 2 2 B 35 35 GLU CA C 78 55.918 56.740 -0.822 1
1 1597 . 20 2 2 B 35 35 GLU CB C 78 30.767 29.642 1.125 1
1 1599 . 20 2 2 B 35 35 GLU N N 78 117.508 115.520 1.988 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 0 0.000 1
2 1 1 1 "RMS(OBS, PRED)" CA 93 1.530 1
3 1 1 1 "RMS(OBS, PRED)" CB 87 1.150 1
4 1 1 1 "RMS(OBS, PRED)" H 89 0.541 1
5 1 1 1 "RMS(OBS, PRED)" HA 97 0.393 1
6 1 1 1 "RMS(OBS, PRED)" N 89 2.947 1
7 1 1 2 "RMS(OBS, PRED)" C 29 0.930 1
8 1 1 2 "RMS(OBS, PRED)" CA 31 1.411 1
9 1 1 2 "RMS(OBS, PRED)" CB 31 1.041 1
10 1 1 2 "RMS(OBS, PRED)" H 29 0.514 1
11 1 1 2 "RMS(OBS, PRED)" HA 31 0.293 1
12 1 1 2 "RMS(OBS, PRED)" N 29 2.838 1
13 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 2 1 "RMS(OBS, PRED)" CA 93 1.355 1
15 1 2 1 "RMS(OBS, PRED)" CB 87 1.090 1
16 1 2 1 "RMS(OBS, PRED)" H 89 0.576 1
17 1 2 1 "RMS(OBS, PRED)" HA 97 0.378 1
18 1 2 1 "RMS(OBS, PRED)" N 89 2.958 1
19 1 2 2 "RMS(OBS, PRED)" C 29 0.929 1
20 1 2 2 "RMS(OBS, PRED)" CA 31 1.485 1
21 1 2 2 "RMS(OBS, PRED)" CB 31 1.106 1
22 1 2 2 "RMS(OBS, PRED)" H 29 0.557 1
23 1 2 2 "RMS(OBS, PRED)" HA 31 0.329 1
24 1 2 2 "RMS(OBS, PRED)" N 29 2.860 1
25 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 3 1 "RMS(OBS, PRED)" CA 93 1.280 1
27 1 3 1 "RMS(OBS, PRED)" CB 87 1.023 1
28 1 3 1 "RMS(OBS, PRED)" H 89 0.594 1
29 1 3 1 "RMS(OBS, PRED)" HA 97 0.367 1
30 1 3 1 "RMS(OBS, PRED)" N 89 2.856 1
31 1 3 2 "RMS(OBS, PRED)" C 29 0.757 1
32 1 3 2 "RMS(OBS, PRED)" CA 31 1.491 1
33 1 3 2 "RMS(OBS, PRED)" CB 31 1.299 1
34 1 3 2 "RMS(OBS, PRED)" H 29 0.525 1
35 1 3 2 "RMS(OBS, PRED)" HA 31 0.368 1
36 1 3 2 "RMS(OBS, PRED)" N 29 3.252 1
37 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 4 1 "RMS(OBS, PRED)" CA 93 1.377 1
39 1 4 1 "RMS(OBS, PRED)" CB 87 1.057 1
40 1 4 1 "RMS(OBS, PRED)" H 89 0.539 1
41 1 4 1 "RMS(OBS, PRED)" HA 97 0.378 1
42 1 4 1 "RMS(OBS, PRED)" N 89 2.749 1
43 1 4 2 "RMS(OBS, PRED)" C 29 0.796 1
44 1 4 2 "RMS(OBS, PRED)" CA 31 1.332 1
45 1 4 2 "RMS(OBS, PRED)" CB 31 1.000 1
46 1 4 2 "RMS(OBS, PRED)" H 29 0.549 1
47 1 4 2 "RMS(OBS, PRED)" HA 31 0.234 1
48 1 4 2 "RMS(OBS, PRED)" N 29 2.802 1
49 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 5 1 "RMS(OBS, PRED)" CA 93 1.509 1
51 1 5 1 "RMS(OBS, PRED)" CB 87 1.055 1
52 1 5 1 "RMS(OBS, PRED)" H 89 0.543 1
53 1 5 1 "RMS(OBS, PRED)" HA 97 0.362 1
54 1 5 1 "RMS(OBS, PRED)" N 89 2.677 1
55 1 5 2 "RMS(OBS, PRED)" C 29 0.906 1
56 1 5 2 "RMS(OBS, PRED)" CA 31 1.516 1
57 1 5 2 "RMS(OBS, PRED)" CB 31 1.249 1
58 1 5 2 "RMS(OBS, PRED)" H 29 0.541 1
59 1 5 2 "RMS(OBS, PRED)" HA 31 0.332 1
60 1 5 2 "RMS(OBS, PRED)" N 29 2.769 1
61 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 6 1 "RMS(OBS, PRED)" CA 93 1.461 1
63 1 6 1 "RMS(OBS, PRED)" CB 87 0.988 1
64 1 6 1 "RMS(OBS, PRED)" H 89 0.563 1
65 1 6 1 "RMS(OBS, PRED)" HA 97 0.349 1
66 1 6 1 "RMS(OBS, PRED)" N 89 2.875 1
67 1 6 2 "RMS(OBS, PRED)" C 29 0.888 1
68 1 6 2 "RMS(OBS, PRED)" CA 31 1.487 1
69 1 6 2 "RMS(OBS, PRED)" CB 31 1.332 1
70 1 6 2 "RMS(OBS, PRED)" H 29 0.512 1
71 1 6 2 "RMS(OBS, PRED)" HA 31 0.333 1
72 1 6 2 "RMS(OBS, PRED)" N 29 2.834 1
73 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 7 1 "RMS(OBS, PRED)" CA 93 1.305 1
75 1 7 1 "RMS(OBS, PRED)" CB 87 1.090 1
76 1 7 1 "RMS(OBS, PRED)" H 89 0.553 1
77 1 7 1 "RMS(OBS, PRED)" HA 97 0.379 1
78 1 7 1 "RMS(OBS, PRED)" N 89 2.904 1
79 1 7 2 "RMS(OBS, PRED)" C 29 0.908 1
80 1 7 2 "RMS(OBS, PRED)" CA 31 1.419 1
81 1 7 2 "RMS(OBS, PRED)" CB 31 1.114 1
82 1 7 2 "RMS(OBS, PRED)" H 29 0.463 1
83 1 7 2 "RMS(OBS, PRED)" HA 31 0.318 1
84 1 7 2 "RMS(OBS, PRED)" N 29 2.734 1
85 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 8 1 "RMS(OBS, PRED)" CA 93 1.292 1
87 1 8 1 "RMS(OBS, PRED)" CB 87 1.034 1
88 1 8 1 "RMS(OBS, PRED)" H 89 0.542 1
89 1 8 1 "RMS(OBS, PRED)" HA 97 0.375 1
90 1 8 1 "RMS(OBS, PRED)" N 89 2.787 1
91 1 8 2 "RMS(OBS, PRED)" C 29 0.951 1
92 1 8 2 "RMS(OBS, PRED)" CA 31 1.465 1
93 1 8 2 "RMS(OBS, PRED)" CB 31 1.469 1
94 1 8 2 "RMS(OBS, PRED)" H 29 0.559 1
95 1 8 2 "RMS(OBS, PRED)" HA 31 0.394 1
96 1 8 2 "RMS(OBS, PRED)" N 29 2.701 1
97 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 9 1 "RMS(OBS, PRED)" CA 93 1.542 1
99 1 9 1 "RMS(OBS, PRED)" CB 87 1.051 1
100 1 9 1 "RMS(OBS, PRED)" H 89 0.602 1
101 1 9 1 "RMS(OBS, PRED)" HA 97 0.402 1
102 1 9 1 "RMS(OBS, PRED)" N 89 3.213 1
103 1 9 2 "RMS(OBS, PRED)" C 29 0.737 1
104 1 9 2 "RMS(OBS, PRED)" CA 31 1.551 1
105 1 9 2 "RMS(OBS, PRED)" CB 31 1.139 1
106 1 9 2 "RMS(OBS, PRED)" H 29 0.559 1
107 1 9 2 "RMS(OBS, PRED)" HA 31 0.312 1
108 1 9 2 "RMS(OBS, PRED)" N 29 3.168 1
109 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 10 1 "RMS(OBS, PRED)" CA 93 1.399 1
111 1 10 1 "RMS(OBS, PRED)" CB 87 0.957 1
112 1 10 1 "RMS(OBS, PRED)" H 89 0.528 1
113 1 10 1 "RMS(OBS, PRED)" HA 97 0.354 1
114 1 10 1 "RMS(OBS, PRED)" N 89 2.551 1
115 1 10 2 "RMS(OBS, PRED)" C 29 0.824 1
116 1 10 2 "RMS(OBS, PRED)" CA 31 1.432 1
117 1 10 2 "RMS(OBS, PRED)" CB 31 1.074 1
118 1 10 2 "RMS(OBS, PRED)" H 29 0.596 1
119 1 10 2 "RMS(OBS, PRED)" HA 31 0.320 1
120 1 10 2 "RMS(OBS, PRED)" N 29 3.127 1
121 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
122 1 11 1 "RMS(OBS, PRED)" CA 93 1.432 1
123 1 11 1 "RMS(OBS, PRED)" CB 87 1.035 1
124 1 11 1 "RMS(OBS, PRED)" H 89 0.577 1
125 1 11 1 "RMS(OBS, PRED)" HA 97 0.393 1
126 1 11 1 "RMS(OBS, PRED)" N 89 2.818 1
127 1 11 2 "RMS(OBS, PRED)" C 29 0.888 1
128 1 11 2 "RMS(OBS, PRED)" CA 31 1.449 1
129 1 11 2 "RMS(OBS, PRED)" CB 31 1.237 1
130 1 11 2 "RMS(OBS, PRED)" H 29 0.491 1
131 1 11 2 "RMS(OBS, PRED)" HA 31 0.317 1
132 1 11 2 "RMS(OBS, PRED)" N 29 3.149 1
133 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
134 1 12 1 "RMS(OBS, PRED)" CA 93 1.401 1
135 1 12 1 "RMS(OBS, PRED)" CB 87 1.108 1
136 1 12 1 "RMS(OBS, PRED)" H 89 0.576 1
137 1 12 1 "RMS(OBS, PRED)" HA 97 0.405 1
138 1 12 1 "RMS(OBS, PRED)" N 89 2.874 1
139 1 12 2 "RMS(OBS, PRED)" C 29 0.822 1
140 1 12 2 "RMS(OBS, PRED)" CA 31 1.457 1
141 1 12 2 "RMS(OBS, PRED)" CB 31 1.212 1
142 1 12 2 "RMS(OBS, PRED)" H 29 0.520 1
143 1 12 2 "RMS(OBS, PRED)" HA 31 0.364 1
144 1 12 2 "RMS(OBS, PRED)" N 29 2.865 1
145 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
146 1 13 1 "RMS(OBS, PRED)" CA 93 1.519 1
147 1 13 1 "RMS(OBS, PRED)" CB 87 1.017 1
148 1 13 1 "RMS(OBS, PRED)" H 89 0.597 1
149 1 13 1 "RMS(OBS, PRED)" HA 97 0.389 1
150 1 13 1 "RMS(OBS, PRED)" N 89 2.773 1
151 1 13 2 "RMS(OBS, PRED)" C 29 0.764 1
152 1 13 2 "RMS(OBS, PRED)" CA 31 1.401 1
153 1 13 2 "RMS(OBS, PRED)" CB 31 1.288 1
154 1 13 2 "RMS(OBS, PRED)" H 29 0.515 1
155 1 13 2 "RMS(OBS, PRED)" HA 31 0.340 1
156 1 13 2 "RMS(OBS, PRED)" N 29 2.847 1
157 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
158 1 14 1 "RMS(OBS, PRED)" CA 93 1.415 1
159 1 14 1 "RMS(OBS, PRED)" CB 87 0.995 1
160 1 14 1 "RMS(OBS, PRED)" H 89 0.619 1
161 1 14 1 "RMS(OBS, PRED)" HA 97 0.398 1
162 1 14 1 "RMS(OBS, PRED)" N 89 2.961 1
163 1 14 2 "RMS(OBS, PRED)" C 29 0.884 1
164 1 14 2 "RMS(OBS, PRED)" CA 31 1.380 1
165 1 14 2 "RMS(OBS, PRED)" CB 31 1.280 1
166 1 14 2 "RMS(OBS, PRED)" H 29 0.453 1
167 1 14 2 "RMS(OBS, PRED)" HA 31 0.363 1
168 1 14 2 "RMS(OBS, PRED)" N 29 3.059 1
169 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
170 1 15 1 "RMS(OBS, PRED)" CA 93 1.412 1
171 1 15 1 "RMS(OBS, PRED)" CB 87 1.040 1
172 1 15 1 "RMS(OBS, PRED)" H 89 0.563 1
173 1 15 1 "RMS(OBS, PRED)" HA 97 0.402 1
174 1 15 1 "RMS(OBS, PRED)" N 89 2.694 1
175 1 15 2 "RMS(OBS, PRED)" C 29 0.881 1
176 1 15 2 "RMS(OBS, PRED)" CA 31 1.294 1
177 1 15 2 "RMS(OBS, PRED)" CB 31 1.212 1
178 1 15 2 "RMS(OBS, PRED)" H 29 0.518 1
179 1 15 2 "RMS(OBS, PRED)" HA 31 0.309 1
180 1 15 2 "RMS(OBS, PRED)" N 29 3.120 1
181 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
182 1 16 1 "RMS(OBS, PRED)" CA 93 1.419 1
183 1 16 1 "RMS(OBS, PRED)" CB 87 1.150 1
184 1 16 1 "RMS(OBS, PRED)" H 89 0.586 1
185 1 16 1 "RMS(OBS, PRED)" HA 97 0.406 1
186 1 16 1 "RMS(OBS, PRED)" N 89 2.901 1
187 1 16 2 "RMS(OBS, PRED)" C 29 0.894 1
188 1 16 2 "RMS(OBS, PRED)" CA 31 1.483 1
189 1 16 2 "RMS(OBS, PRED)" CB 31 1.245 1
190 1 16 2 "RMS(OBS, PRED)" H 29 0.486 1
191 1 16 2 "RMS(OBS, PRED)" HA 31 0.330 1
192 1 16 2 "RMS(OBS, PRED)" N 29 3.234 1
193 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
194 1 17 1 "RMS(OBS, PRED)" CA 93 1.350 1
195 1 17 1 "RMS(OBS, PRED)" CB 87 1.027 1
196 1 17 1 "RMS(OBS, PRED)" H 89 0.517 1
197 1 17 1 "RMS(OBS, PRED)" HA 97 0.372 1
198 1 17 1 "RMS(OBS, PRED)" N 89 2.695 1
199 1 17 2 "RMS(OBS, PRED)" C 29 0.796 1
200 1 17 2 "RMS(OBS, PRED)" CA 31 1.385 1
201 1 17 2 "RMS(OBS, PRED)" CB 31 1.069 1
202 1 17 2 "RMS(OBS, PRED)" H 29 0.567 1
203 1 17 2 "RMS(OBS, PRED)" HA 31 0.303 1
204 1 17 2 "RMS(OBS, PRED)" N 29 2.955 1
205 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
206 1 18 1 "RMS(OBS, PRED)" CA 93 1.236 1
207 1 18 1 "RMS(OBS, PRED)" CB 87 1.011 1
208 1 18 1 "RMS(OBS, PRED)" H 89 0.554 1
209 1 18 1 "RMS(OBS, PRED)" HA 97 0.360 1
210 1 18 1 "RMS(OBS, PRED)" N 89 2.614 1
211 1 18 2 "RMS(OBS, PRED)" C 29 0.845 1
212 1 18 2 "RMS(OBS, PRED)" CA 31 1.270 1
213 1 18 2 "RMS(OBS, PRED)" CB 31 1.404 1
214 1 18 2 "RMS(OBS, PRED)" H 29 0.532 1
215 1 18 2 "RMS(OBS, PRED)" HA 31 0.334 1
216 1 18 2 "RMS(OBS, PRED)" N 29 3.241 1
217 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
218 1 19 1 "RMS(OBS, PRED)" CA 93 1.299 1
219 1 19 1 "RMS(OBS, PRED)" CB 87 1.055 1
220 1 19 1 "RMS(OBS, PRED)" H 89 0.587 1
221 1 19 1 "RMS(OBS, PRED)" HA 97 0.364 1
222 1 19 1 "RMS(OBS, PRED)" N 89 2.701 1
223 1 19 2 "RMS(OBS, PRED)" C 29 0.736 1
224 1 19 2 "RMS(OBS, PRED)" CA 31 1.431 1
225 1 19 2 "RMS(OBS, PRED)" CB 31 1.222 1
226 1 19 2 "RMS(OBS, PRED)" H 29 0.496 1
227 1 19 2 "RMS(OBS, PRED)" HA 31 0.304 1
228 1 19 2 "RMS(OBS, PRED)" N 29 3.280 1
229 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
230 1 20 1 "RMS(OBS, PRED)" CA 93 1.319 1
231 1 20 1 "RMS(OBS, PRED)" CB 87 1.077 1
232 1 20 1 "RMS(OBS, PRED)" H 89 0.562 1
233 1 20 1 "RMS(OBS, PRED)" HA 97 0.362 1
234 1 20 1 "RMS(OBS, PRED)" N 89 2.861 1
235 1 20 2 "RMS(OBS, PRED)" C 29 0.939 1
236 1 20 2 "RMS(OBS, PRED)" CA 31 1.305 1
237 1 20 2 "RMS(OBS, PRED)" CB 31 1.286 1
238 1 20 2 "RMS(OBS, PRED)" H 29 0.480 1
239 1 20 2 "RMS(OBS, PRED)" HA 31 0.358 1
240 1 20 2 "RMS(OBS, PRED)" N 29 3.071 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
1 230 . 1 1 A 22 22 GLY HA2 H 19 4.103 4.030 0.073 2
1 231 . 1 1 A 22 22 GLY HA3 H 19 3.888 4.072 -0.184 2
1 265 . 1 1 A 26 26 ARG H H 23 7.781 7.993 -0.212 2
1 277 . 1 1 A 26 26 ARG N N 23 118.490 119.747 -1.257 2
1 288 . 1 1 A 28 28 GLN H H 25 7.760 7.668 0.092 2
1 299 . 1 1 A 28 28 GLN N N 25 118.410 119.438 -1.028 2
1 403 . 1 1 A 36 36 VAL H H 33 7.785 7.493 0.292 2
1 404 . 1 1 A 36 36 VAL HA H 33 3.484 3.782 -0.298 2
1 412 . 1 1 A 36 36 VAL CA C 33 65.213 65.093 0.120 2
1 413 . 1 1 A 36 36 VAL CB C 33 31.932 31.212 0.720 2
1 416 . 1 1 A 36 36 VAL N N 33 120.618 119.459 1.159 2
1 417 . 1 1 A 37 37 LEU H H 34 7.956 7.671 0.285 2
1 418 . 1 1 A 37 37 LEU HA H 34 3.747 4.075 -0.328 2
1 428 . 1 1 A 37 37 LEU CA C 34 57.069 56.510 0.560 2
1 429 . 1 1 A 37 37 LEU CB C 34 40.916 41.571 -0.655 2
1 433 . 1 1 A 37 37 LEU N N 34 115.476 121.379 -5.903 2
1 434 . 1 1 A 38 38 GLU H H 35 7.042 7.741 -0.699 2
1 435 . 1 1 A 38 38 GLU HA H 35 4.395 4.384 0.011 2
1 440 . 1 1 A 38 38 GLU CA C 35 57.553 57.785 -0.233 2
1 441 . 1 1 A 38 38 GLU CB C 35 30.234 31.208 -0.974 2
1 443 . 1 1 A 38 38 GLU N N 35 114.356 118.862 -4.506 2
1 444 . 1 1 A 39 39 SER H H 36 7.125 7.596 -0.471 2
1 445 . 1 1 A 39 39 SER HA H 36 4.593 4.804 -0.211 2
1 448 . 1 1 A 39 39 SER CA C 36 55.308 55.520 -0.212 2
1 449 . 1 1 A 39 39 SER CB C 36 62.305 63.642 -1.337 2
1 450 . 1 1 A 39 39 SER N N 36 109.796 112.962 -3.166 2
1 451 . 1 1 A 40 40 PRO HA H 37 4.360 4.445 -0.085 2
1 458 . 1 1 A 40 40 PRO CA C 37 64.802 63.597 1.205 2
1 459 . 1 1 A 40 40 PRO CB C 37 32.562 32.496 0.065 2
1 462 . 1 1 A 41 41 ARG H H 38 8.356 8.085 0.271 2
1 463 . 1 1 A 41 41 ARG HA H 38 3.271 4.081 -0.810 2
1 470 . 1 1 A 41 41 ARG CA C 38 56.364 55.005 1.359 2
1 471 . 1 1 A 41 41 ARG CB C 38 29.580 29.272 0.308 2
1 474 . 1 1 A 41 41 ARG N N 38 120.882 119.771 1.111 2
1 475 . 1 1 A 42 42 ILE H H 39 5.973 7.472 -1.499 2
1 476 . 1 1 A 42 42 ILE HA H 39 4.216 4.397 -0.181 2
1 486 . 1 1 A 42 42 ILE CA C 39 60.301 60.571 -0.270 2
1 487 . 1 1 A 42 42 ILE CB C 39 38.705 37.952 0.753 2
1 491 . 1 1 A 42 42 ILE N N 39 127.866 125.427 2.439 2
1 492 . 1 1 A 43 43 GLU H H 40 8.860 8.802 0.058 2
1 493 . 1 1 A 43 43 GLU HA H 40 4.218 4.257 -0.039 2
1 498 . 1 1 A 43 43 GLU CA C 40 59.945 58.778 1.167 2
1 499 . 1 1 A 43 43 GLU CB C 40 29.040 28.942 0.098 2
1 501 . 1 1 A 43 43 GLU N N 40 129.498 126.618 2.880 2
1 502 . 1 1 A 44 44 ALA H H 41 8.827 7.700 1.127 2
1 503 . 1 1 A 44 44 ALA HA H 41 4.241 4.163 0.078 2
1 507 . 1 1 A 44 44 ALA CA C 41 54.035 53.968 0.067 2
1 508 . 1 1 A 44 44 ALA CB C 41 18.466 18.441 0.025 2
1 509 . 1 1 A 44 44 ALA N N 41 119.919 122.465 -2.546 2
1 510 . 1 1 A 45 45 ASN H H 42 8.184 8.078 0.106 2
1 511 . 1 1 A 45 45 ASN HA H 42 5.082 4.912 0.170 2
1 516 . 1 1 A 45 45 ASN CA C 42 51.401 53.099 -1.698 2
1 517 . 1 1 A 45 45 ASN CB C 42 38.684 39.572 -0.888 2
1 518 . 1 1 A 45 45 ASN N N 42 114.675 114.634 0.041 2
1 520 . 1 1 A 46 46 LYS H H 43 7.515 7.396 0.119 2
1 521 . 1 1 A 46 46 LYS HA H 43 3.741 4.255 -0.514 2
1 530 . 1 1 A 46 46 LYS CA C 43 57.354 56.419 0.935 2
1 531 . 1 1 A 46 46 LYS CB C 43 32.905 32.749 0.156 2
1 535 . 1 1 A 46 46 LYS N N 43 122.167 119.500 2.667 2
1 536 . 1 1 A 47 47 LEU H H 44 8.184 8.146 0.038 2
1 537 . 1 1 A 47 47 LEU HA H 44 4.297 4.417 -0.120 2
1 547 . 1 1 A 47 47 LEU CA C 44 53.422 54.544 -1.122 2
1 548 . 1 1 A 47 47 LEU CB C 44 42.208 42.964 -0.756 2
1 552 . 1 1 A 47 47 LEU N N 44 127.544 123.898 3.646 2
1 553 . 1 1 A 48 48 ARG H H 45 8.706 8.745 -0.039 2
1 554 . 1 1 A 48 48 ARG HA H 45 3.918 4.130 -0.212 2
1 561 . 1 1 A 48 48 ARG CA C 45 57.765 58.301 -0.536 2
1 562 . 1 1 A 48 48 ARG CB C 45 29.686 30.084 -0.398 2
1 565 . 1 1 A 48 48 ARG N N 45 128.641 124.638 4.003 2
1 566 . 1 1 A 49 49 GLY H H 46 8.543 8.133 0.410 2
1 567 . 1 1 A 49 49 GLY HA2 H 46 4.129 3.964 0.165 2
1 568 . 1 1 A 49 49 GLY HA3 H 46 3.662 3.966 -0.304 2
1 569 . 1 1 A 49 49 GLY CA C 46 44.981 45.447 -0.466 2
1 570 . 1 1 A 49 49 GLY N N 46 110.474 108.946 1.528 2
1 571 . 1 1 A 50 50 MET H H 47 7.404 7.683 -0.279 2
1 572 . 1 1 A 50 50 MET HA H 47 5.226 4.832 0.394 2
1 580 . 1 1 A 50 50 MET CA C 47 50.824 52.489 -1.665 2
1 581 . 1 1 A 50 50 MET CB C 47 33.186 33.383 -0.197 2
1 584 . 1 1 A 50 50 MET N N 47 118.742 119.498 -0.756 2
1 585 . 1 1 A 51 51 PRO HA H 48 4.344 4.283 0.061 2
1 592 . 1 1 A 51 51 PRO CA C 48 63.591 64.223 -0.632 2
1 593 . 1 1 A 51 51 PRO CB C 48 31.942 31.906 0.036 2
1 596 . 1 1 A 52 52 ASP H H 49 8.703 8.378 0.325 2
1 597 . 1 1 A 52 52 ASP HA H 49 4.392 4.419 -0.027 2
1 600 . 1 1 A 52 52 ASP CA C 49 56.244 54.531 1.713 2
1 601 . 1 1 A 52 52 ASP N N 49 116.361 116.049 0.312 2
1 602 . 1 1 A 53 53 CYS H H 50 7.456 7.085 0.371 2
1 603 . 1 1 A 53 53 CYS HA H 50 5.799 4.881 0.918 2
1 606 . 1 1 A 53 53 CYS CA C 50 58.147 56.985 1.162 2
1 607 . 1 1 A 53 53 CYS CB C 50 30.953 30.004 0.949 2
1 608 . 1 1 A 53 53 CYS N N 50 114.086 117.935 -3.849 2
1 609 . 1 1 A 54 54 TYR H H 51 8.939 8.580 0.359 2
1 610 . 1 1 A 54 54 TYR HA H 51 4.662 5.133 -0.471 2
1 617 . 1 1 A 54 54 TYR CA C 51 56.444 56.195 0.249 2
1 618 . 1 1 A 54 54 TYR CB C 51 43.000 42.949 0.051 2
1 620 . 1 1 A 54 54 TYR N N 51 120.722 122.360 -1.638 2
1 621 . 1 1 A 55 55 LYS H H 52 8.665 8.870 -0.205 2
1 622 . 1 1 A 55 55 LYS HA H 52 5.456 5.335 0.121 2
1 631 . 1 1 A 55 55 LYS CA C 52 53.968 54.515 -0.547 2
1 632 . 1 1 A 55 55 LYS CB C 52 36.126 36.079 0.047 2
1 636 . 1 1 A 55 55 LYS N N 52 117.297 118.254 -0.957 2
1 637 . 1 1 A 56 56 ILE H H 53 9.272 8.952 0.320 2
1 638 . 1 1 A 56 56 ILE HA H 53 4.428 4.968 -0.540 2
1 648 . 1 1 A 56 56 ILE CA C 53 60.803 59.674 1.129 2
1 649 . 1 1 A 56 56 ILE CB C 53 40.849 41.217 -0.368 2
1 653 . 1 1 A 56 56 ILE N N 53 122.006 123.204 -1.198 2
1 654 . 1 1 A 57 57 LYS H H 54 8.745 8.962 -0.217 2
1 655 . 1 1 A 57 57 LYS HA H 54 5.093 5.141 -0.048 2
1 664 . 1 1 A 57 57 LYS CA C 54 54.227 54.588 -0.361 2
1 665 . 1 1 A 57 57 LYS CB C 54 35.595 35.886 -0.291 2
1 669 . 1 1 A 57 57 LYS N N 54 125.752 124.436 1.316 2
1 670 . 1 1 A 58 58 LEU H H 55 8.543 8.948 -0.405 2
1 671 . 1 1 A 58 58 LEU HA H 55 4.788 4.511 0.277 2
1 681 . 1 1 A 58 58 LEU CA C 55 53.151 54.701 -1.550 2
1 682 . 1 1 A 58 58 LEU CB C 55 41.238 41.651 -0.413 2
1 686 . 1 1 A 58 58 LEU N N 55 124.173 124.465 -0.291 2
1 687 . 1 1 A 59 59 ARG HA H 56 4.039 4.090 -0.051 2
1 694 . 1 1 A 59 59 ARG CA C 56 59.531 59.215 0.316 2
1 695 . 1 1 A 59 59 ARG CB C 56 32.180 30.191 1.989 2
1 698 . 1 1 A 60 60 SER HA H 57 4.335 4.504 -0.169 2
1 701 . 1 1 A 60 60 SER CA C 57 60.035 59.826 0.209 2
1 702 . 1 1 A 60 60 SER CB C 57 62.551 63.650 -1.099 2
1 703 . 1 1 A 61 61 SER H H 58 7.605 7.962 -0.357 2
1 704 . 1 1 A 61 61 SER HA H 58 4.604 4.652 -0.048 2
1 707 . 1 1 A 61 61 SER CA C 58 58.122 59.285 -1.163 2
1 708 . 1 1 A 61 61 SER CB C 58 64.520 64.959 -0.439 2
1 709 . 1 1 A 61 61 SER N N 58 112.447 115.064 -2.617 2
1 710 . 1 1 A 62 62 GLY H H 59 8.214 8.518 -0.304 2
1 711 . 1 1 A 62 62 GLY HA2 H 59 4.091 3.915 0.176 2
1 712 . 1 1 A 62 62 GLY HA3 H 59 3.824 3.944 -0.120 2
1 713 . 1 1 A 62 62 GLY CA C 59 45.562 45.696 -0.134 2
1 714 . 1 1 A 62 62 GLY N N 59 108.976 109.933 -0.957 2
1 715 . 1 1 A 63 63 TYR H H 60 7.283 8.071 -0.788 2
1 716 . 1 1 A 63 63 TYR HA H 60 4.619 4.648 -0.029 2
1 723 . 1 1 A 63 63 TYR CA C 60 60.412 58.054 2.358 2
1 724 . 1 1 A 63 63 TYR CB C 60 40.339 40.155 0.184 2
1 727 . 1 1 A 63 63 TYR N N 60 117.859 119.675 -1.816 2
1 728 . 1 1 A 64 64 ARG H H 61 9.296 9.092 0.204 2
1 729 . 1 1 A 64 64 ARG HA H 61 5.634 5.404 0.230 2
1 736 . 1 1 A 64 64 ARG CA C 61 54.114 54.346 -0.232 2
1 737 . 1 1 A 64 64 ARG CB C 61 33.245 34.600 -1.355 2
1 740 . 1 1 A 64 64 ARG N N 61 117.912 119.655 -1.743 2
1 741 . 1 1 A 65 65 LEU H H 62 9.077 8.869 0.208 2
1 742 . 1 1 A 65 65 LEU HA H 62 5.459 5.093 0.366 2
1 752 . 1 1 A 65 65 LEU CA C 62 54.114 54.550 -0.436 2
1 753 . 1 1 A 65 65 LEU CB C 62 46.977 45.973 1.004 2
1 757 . 1 1 A 65 65 LEU N N 62 123.590 122.340 1.250 2
1 758 . 1 1 A 66 66 VAL H H 63 8.729 8.916 -0.187 2
1 759 . 1 1 A 66 66 VAL HA H 63 5.206 5.059 0.147 2
1 767 . 1 1 A 66 66 VAL CA C 63 60.112 60.896 -0.784 2
1 768 . 1 1 A 66 66 VAL CB C 63 34.296 33.551 0.745 2
1 771 . 1 1 A 66 66 VAL N N 63 123.237 126.318 -3.081 2
1 772 . 1 1 A 67 67 TYR H H 64 8.976 8.850 0.126 2
1 773 . 1 1 A 67 67 TYR HA H 64 5.745 5.395 0.350 2
1 780 . 1 1 A 67 67 TYR CA C 64 53.968 55.328 -1.360 2
1 781 . 1 1 A 67 67 TYR CB C 64 42.534 41.733 0.801 2
1 784 . 1 1 A 67 67 TYR N N 64 124.227 123.722 0.505 2
1 785 . 1 1 A 68 68 GLN H H 65 9.696 8.865 0.831 2
1 786 . 1 1 A 68 68 GLN HA H 65 5.640 5.158 0.482 2
1 793 . 1 1 A 68 68 GLN CA C 65 52.933 54.175 -1.242 2
1 794 . 1 1 A 68 68 GLN CB C 65 33.585 32.268 1.317 2
1 796 . 1 1 A 68 68 GLN N N 65 122.541 120.142 2.399 2
1 798 . 1 1 A 69 69 VAL H H 66 9.050 9.118 -0.069 2
1 799 . 1 1 A 69 69 VAL HA H 66 4.513 4.647 -0.134 2
1 807 . 1 1 A 69 69 VAL CA C 66 62.534 62.048 0.486 2
1 808 . 1 1 A 69 69 VAL CB C 66 33.052 32.429 0.623 2
1 811 . 1 1 A 69 69 VAL N N 66 127.437 126.405 1.032 2
1 812 . 1 1 A 70 70 ILE H H 67 9.385 9.074 0.311 2
1 813 . 1 1 A 70 70 ILE HA H 67 4.475 4.514 -0.039 2
1 823 . 1 1 A 70 70 ILE CA C 67 59.863 60.807 -0.944 2
1 824 . 1 1 A 70 70 ILE CB C 67 37.487 38.106 -0.619 2
1 828 . 1 1 A 70 70 ILE N N 67 129.296 128.204 1.092 2
1 829 . 1 1 A 71 71 ASP H H 68 9.343 9.078 0.265 2
1 830 . 1 1 A 71 71 ASP HA H 68 4.595 4.612 -0.017 2
1 833 . 1 1 A 71 71 ASP CA C 68 58.841 56.792 2.049 2
1 834 . 1 1 A 71 71 ASP CB C 68 40.637 40.645 -0.008 2
1 835 . 1 1 A 71 71 ASP N N 68 128.749 128.430 0.319 2
1 836 . 1 1 A 72 72 GLU H H 69 9.718 8.959 0.759 2
1 837 . 1 1 A 72 72 GLU HA H 69 4.124 4.087 0.037 2
1 842 . 1 1 A 72 72 GLU CA C 69 59.335 59.155 0.180 2
1 843 . 1 1 A 72 72 GLU CB C 69 29.131 28.901 0.230 2
1 845 . 1 1 A 72 72 GLU N N 69 118.929 118.117 0.812 2
1 846 . 1 1 A 73 73 LYS H H 70 6.653 7.744 -1.091 2
1 847 . 1 1 A 73 73 LYS HA H 70 4.517 4.414 0.103 2
1 856 . 1 1 A 73 73 LYS CA C 70 54.587 56.042 -1.455 2
1 857 . 1 1 A 73 73 LYS CB C 70 33.843 33.141 0.702 2
1 861 . 1 1 A 73 73 LYS N N 70 114.113 117.655 -3.542 2
1 862 . 1 1 A 74 74 VAL H H 71 7.832 7.789 0.043 2
1 863 . 1 1 A 74 74 VAL HA H 71 3.012 3.643 -0.631 2
1 871 . 1 1 A 74 74 VAL CA C 71 63.090 63.091 -0.001 2
1 872 . 1 1 A 74 74 VAL CB C 71 29.226 29.393 -0.167 2
1 875 . 1 1 A 74 74 VAL N N 71 119.223 116.729 2.494 2
1 876 . 1 1 A 75 75 VAL H H 72 7.732 7.927 -0.195 2
1 877 . 1 1 A 75 75 VAL HA H 72 4.950 5.090 -0.140 2
1 885 . 1 1 A 75 75 VAL CA C 72 60.455 60.254 0.201 2
1 886 . 1 1 A 75 75 VAL CB C 72 37.925 35.469 2.456 2
1 889 . 1 1 A 75 75 VAL N N 72 117.190 119.481 -2.291 2
1 890 . 1 1 A 76 76 VAL H H 73 9.026 8.789 0.237 2
1 891 . 1 1 A 76 76 VAL HA H 73 4.349 4.695 -0.346 2
1 899 . 1 1 A 76 76 VAL CA C 73 62.527 61.571 0.956 2
1 900 . 1 1 A 76 76 VAL CB C 73 32.882 31.882 1.000 2
1 903 . 1 1 A 76 76 VAL N N 73 128.347 125.752 2.595 2
1 904 . 1 1 A 77 77 PHE H H 74 9.629 9.149 0.480 2
1 905 . 1 1 A 77 77 PHE HA H 74 5.898 4.963 0.934 2
1 913 . 1 1 A 77 77 PHE CA C 74 51.863 56.141 -4.278 2
1 914 . 1 1 A 77 77 PHE CB C 74 40.214 40.017 0.197 2
1 918 . 1 1 A 77 77 PHE N N 74 128.802 128.954 -0.152 2
1 919 . 1 1 A 78 78 VAL H H 75 9.535 8.741 0.794 2
1 920 . 1 1 A 78 78 VAL HA H 75 3.712 3.890 -0.178 2
1 928 . 1 1 A 78 78 VAL CA C 75 63.939 63.363 0.576 2
1 929 . 1 1 A 78 78 VAL CB C 75 31.079 30.996 0.083 2
1 932 . 1 1 A 78 78 VAL N N 75 128.588 127.566 1.022 2
1 933 . 1 1 A 79 79 ILE H H 76 8.515 8.847 -0.332 2
1 934 . 1 1 A 79 79 ILE HA H 76 3.443 3.753 -0.310 2
1 944 . 1 1 A 79 79 ILE CA C 76 61.950 62.411 -0.461 2
1 945 . 1 1 A 79 79 ILE CB C 76 40.800 38.398 2.402 2
1 949 . 1 1 A 79 79 ILE N N 76 126.287 128.816 -2.529 2
1 950 . 1 1 A 80 80 SER H H 77 7.180 7.530 -0.350 2
1 951 . 1 1 A 80 80 SER HA H 77 4.506 5.086 -0.580 2
1 954 . 1 1 A 80 80 SER CA C 77 57.464 57.544 -0.080 2
1 955 . 1 1 A 80 80 SER CB C 77 64.912 66.398 -1.486 2
1 956 . 1 1 A 80 80 SER N N 77 111.625 114.207 -2.582 2
1 957 . 1 1 A 81 81 VAL H H 78 8.641 8.650 -0.009 2
1 958 . 1 1 A 81 81 VAL HA H 78 5.066 5.071 -0.005 2
1 966 . 1 1 A 81 81 VAL CA C 78 60.913 60.788 0.124 2
1 967 . 1 1 A 81 81 VAL CB C 78 35.010 35.424 -0.414 2
1 970 . 1 1 A 81 81 VAL N N 78 126.742 123.164 3.578 2
1 971 . 1 1 A 82 82 GLY H H 79 8.658 8.394 0.264 2
1 972 . 1 1 A 82 82 GLY HA2 H 79 4.370 4.272 0.098 2
1 973 . 1 1 A 82 82 GLY HA3 H 79 4.160 4.454 -0.294 2
1 974 . 1 1 A 82 82 GLY CA C 79 46.036 44.547 1.489 2
1 975 . 1 1 A 82 82 GLY N N 79 111.223 111.947 -0.724 2
1 976 . 1 1 A 83 83 LYS H H 80 8.569 8.311 0.258 2
1 977 . 1 1 A 83 83 LYS HA H 80 4.369 4.717 -0.348 2
1 986 . 1 1 A 83 83 LYS CA C 80 54.855 54.906 -0.051 2
1 987 . 1 1 A 83 83 LYS CB C 80 34.866 33.553 1.313 2
1 991 . 1 1 A 83 83 LYS N N 80 121.257 121.012 0.245 2
1 992 . 1 1 A 84 84 ALA H H 81 8.334 8.667 -0.333 2
1 993 . 1 1 A 84 84 ALA HA H 81 4.274 4.793 -0.519 2
1 997 . 1 1 A 84 84 ALA CA C 81 52.003 50.801 1.202 2
1 998 . 1 1 A 84 84 ALA CB C 81 19.185 21.094 -1.909 2
1 999 . 1 1 A 84 84 ALA N N 81 126.662 126.462 0.200 2
1 1000 . 1 1 A 85 85 GLU H H 82 8.638 8.648 -0.010 2
1 1001 . 1 1 A 85 85 GLU HA H 82 4.214 4.468 -0.254 2
1 1006 . 1 1 A 85 85 GLU CA C 82 56.366 56.178 0.188 2
1 1007 . 1 1 A 85 85 GLU CB C 82 30.238 30.305 -0.067 2
1 1009 . 1 1 A 85 85 GLU N N 82 121.819 120.374 1.445 2
1 1010 . 1 1 A 86 86 ALA H H 83 8.462 8.421 0.041 2
1 1011 . 1 1 A 86 86 ALA HA H 83 4.341 4.553 -0.212 2
1 1015 . 1 1 A 86 86 ALA CA C 83 52.156 52.266 -0.110 2
1 1016 . 1 1 A 86 86 ALA CB C 83 19.206 20.129 -0.923 2
1 1017 . 1 1 A 86 86 ALA N N 83 125.350 125.610 -0.260 2
1 1018 . 1 1 A 87 87 SER H H 84 8.309 8.398 -0.089 2
1 1019 . 1 1 A 87 87 SER HA H 84 4.400 4.396 0.004 2
1 1022 . 1 1 A 87 87 SER CA C 84 58.058 60.675 -2.617 2
1 1023 . 1 1 A 87 87 SER CB C 84 63.845 63.668 0.177 2
1 1024 . 1 1 A 87 87 SER N N 84 115.397 113.938 1.459 2
1 1025 . 1 1 A 88 88 GLU H H 85 8.443 8.315 0.128 2
1 1026 . 1 1 A 88 88 GLU HA H 85 4.318 4.309 0.009 2
1 1031 . 1 1 A 88 88 GLU CA C 85 56.465 56.989 -0.524 2
1 1032 . 1 1 A 88 88 GLU CB C 85 30.464 30.213 0.251 2
1 1034 . 1 1 A 88 88 GLU N N 85 122.947 118.782 4.165 2
1 1035 . 1 1 A 89 89 VAL H H 86 8.098 7.791 0.307 2
1 1036 . 1 1 A 89 89 VAL HA H 86 4.044 3.734 0.310 2
1 1044 . 1 1 A 89 89 VAL CA C 86 62.293 65.185 -2.892 2
1 1045 . 1 1 A 89 89 VAL CB C 86 32.703 31.547 1.156 2
1 1048 . 1 1 A 89 89 VAL N N 86 120.884 120.698 0.186 2
1 1049 . 1 1 A 90 90 TYR H H 87 8.313 8.010 0.303 2
1 1050 . 1 1 A 90 90 TYR HA H 87 4.623 4.387 0.236 2
1 1057 . 1 1 A 90 90 TYR CA C 87 57.791 59.478 -1.687 2
1 1058 . 1 1 A 90 90 TYR CB C 87 38.795 37.824 0.971 2
1 1061 . 1 1 A 90 90 TYR N N 87 124.634 120.836 3.798 2
1 1062 . 1 1 A 91 91 SER H H 88 8.140 7.869 0.271 2
1 1063 . 1 1 A 91 91 SER HA H 88 4.411 4.283 0.128 2
1 1066 . 1 1 A 91 91 SER CA C 88 58.396 61.410 -3.014 2
1 1067 . 1 1 A 91 91 SER CB C 88 63.703 63.021 0.682 2
1 1068 . 1 1 A 91 91 SER N N 88 118.447 116.799 1.648 2
1 1069 . 1 1 A 92 92 GLU H H 89 8.400 7.827 0.573 2
1 1070 . 1 1 A 92 92 GLU HA H 89 4.245 4.157 0.088 2
1 1075 . 1 1 A 92 92 GLU CA C 89 56.465 58.375 -1.910 2
1 1076 . 1 1 A 92 92 GLU CB C 89 29.471 29.782 -0.311 2
1 1078 . 1 1 A 92 92 GLU N N 89 122.947 119.593 3.354 2
1 1079 . 1 1 A 93 93 ALA H H 90 8.224 7.752 0.472 2
1 1080 . 1 1 A 93 93 ALA HA H 90 4.287 4.328 -0.041 2
1 1084 . 1 1 A 93 93 ALA CA C 90 52.598 52.499 0.099 2
1 1085 . 1 1 A 93 93 ALA CB C 90 18.864 18.836 0.028 2
1 1086 . 1 1 A 93 93 ALA N N 90 124.404 121.811 2.593 2
1 1087 . 1 1 A 94 94 VAL H H 91 7.971 8.103 -0.132 2
1 1088 . 1 1 A 94 94 VAL HA H 91 4.060 4.367 -0.307 2
1 1096 . 1 1 A 94 94 VAL CA C 91 62.072 61.071 1.001 2
1 1097 . 1 1 A 94 94 VAL CB C 91 32.601 33.221 -0.621 2
1 1100 . 1 1 A 94 94 VAL N N 91 119.330 118.021 1.309 2
1 1101 . 1 1 A 95 95 LYS H H 92 8.271 8.663 -0.392 2
1 1102 . 1 1 A 95 95 LYS HA H 92 4.313 4.326 -0.013 2
1 1111 . 1 1 A 95 95 LYS CA C 92 56.078 57.559 -1.481 2
1 1112 . 1 1 A 95 95 LYS CB C 92 32.924 32.844 0.080 2
1 1116 . 1 1 A 95 95 LYS N N 92 124.941 121.836 3.105 2
1 1117 . 1 1 A 96 96 ARG H H 93 8.317 7.912 0.405 2
1 1118 . 1 1 A 96 96 ARG HA H 93 4.360 4.410 -0.050 2
1 1125 . 1 1 A 96 96 ARG CA C 93 55.901 56.548 -0.647 2
1 1126 . 1 1 A 96 96 ARG CB C 93 30.906 31.087 -0.181 2
1 1129 . 1 1 A 96 96 ARG N N 93 122.918 117.445 5.473 2
1 1130 . 1 1 A 97 97 ILE H H 94 8.251 7.774 0.477 2
1 1131 . 1 1 A 97 97 ILE HA H 94 4.184 4.382 -0.198 2
1 1141 . 1 1 A 97 97 ILE CA C 94 60.946 60.735 0.211 2
1 1142 . 1 1 A 97 97 ILE CB C 94 38.298 38.901 -0.603 2
1 1146 . 1 1 A 97 97 ILE N N 94 123.301 119.870 3.431 2
1 1191 . 2 2 B 5 5 GLN H H 48 8.533 8.374 0.159 2
1 1192 . 2 2 B 5 5 GLN HA H 48 4.390 4.339 0.051 2
1 1199 . 2 2 B 5 5 GLN C C 48 175.953 175.297 0.656 2
1 1200 . 2 2 B 5 5 GLN CA C 48 55.760 54.913 0.847 2
1 1201 . 2 2 B 5 5 GLN CB C 48 29.225 24.699 4.526 2
1 1203 . 2 2 B 5 5 GLN N N 48 122.121 122.307 -0.186 2
1 1205 . 2 2 B 6 6 THR H H 49 8.281 8.167 0.114 2
1 1206 . 2 2 B 6 6 THR HA H 49 4.316 4.668 -0.352 2
1 1211 . 2 2 B 6 6 THR C C 49 174.156 174.565 -0.409 2
1 1212 . 2 2 B 6 6 THR CA C 49 61.724 58.906 2.818 2
1 1213 . 2 2 B 6 6 THR CB C 49 69.452 55.192 14.260 2
1 1215 . 2 2 B 6 6 THR N N 49 116.639 115.119 1.520 2
1 1216 . 2 2 B 7 7 LEU H H 50 8.328 8.754 -0.426 2
1 1217 . 2 2 B 7 7 LEU HA H 50 4.381 4.634 -0.253 2
1 1227 . 2 2 B 7 7 LEU C C 50 176.985 176.350 0.635 2
1 1228 . 2 2 B 7 7 LEU CA C 50 55.093 56.600 -1.507 2
1 1229 . 2 2 B 7 7 LEU CB C 50 42.122 40.906 1.216 2
1 1233 . 2 2 B 7 7 LEU N N 50 125.001 123.099 1.902 2
1 1234 . 2 2 B 8 8 LEU H H 51 8.264 8.225 0.039 2
1 1235 . 2 2 B 8 8 LEU HA H 51 4.410 5.092 -0.682 2
1 1245 . 2 2 B 8 8 LEU C C 51 177.235 175.690 1.545 2
1 1246 . 2 2 B 8 8 LEU CA C 51 54.936 53.506 1.430 2
1 1247 . 2 2 B 8 8 LEU CB C 51 42.292 45.358 -3.066 2
1 1251 . 2 2 B 8 8 LEU N N 51 123.073 120.199 2.874 2
1 1252 . 2 2 B 9 9 SER H H 52 8.499 9.024 -0.525 2
1 1253 . 2 2 B 9 9 SER HA H 52 4.410 5.130 -0.720 2
1 1256 . 2 2 B 9 9 SER C C 52 174.083 173.648 0.435 2
1 1257 . 2 2 B 9 9 SER CA C 52 57.757 54.816 2.941 2
1 1258 . 2 2 B 9 9 SER CB C 52 63.734 55.305 8.429 2
1 1259 . 2 2 B 9 9 SER N N 52 117.150 120.126 -2.976 2
1 1260 . 2 2 B 10 10 ASP H H 53 8.416 9.030 -0.614 2
1 1261 . 2 2 B 10 10 ASP HA H 53 4.575 4.855 -0.280 2
1 1264 . 2 2 B 10 10 ASP C C 53 176.911 177.904 -0.993 2
1 1265 . 2 2 B 10 10 ASP CA C 53 54.678 56.564 -1.886 2
1 1266 . 2 2 B 10 10 ASP CB C 53 40.771 42.006 -1.235 2
1 1267 . 2 2 B 10 10 ASP N N 53 122.632 121.651 0.981 2
1 1268 . 2 2 B 11 11 GLU H H 54 8.486 8.640 -0.154 2
1 1269 . 2 2 B 11 11 GLU HA H 54 4.155 4.448 -0.293 2
1 1274 . 2 2 B 11 11 GLU C C 54 177.220 178.118 -0.898 2
1 1275 . 2 2 B 11 11 GLU CA C 54 58.488 57.035 1.453 2
1 1276 . 2 2 B 11 11 GLU CB C 54 29.615 35.837 -6.222 2
1 1278 . 2 2 B 11 11 GLU N N 54 121.842 121.243 0.599 2
1 1279 . 2 2 B 12 12 ASP H H 55 8.301 8.547 -0.246 2
1 1280 . 2 2 B 12 12 ASP HA H 55 4.470 4.210 0.260 2
1 1283 . 2 2 B 12 12 ASP C C 55 177.161 178.295 -1.134 2
1 1284 . 2 2 B 12 12 ASP CA C 55 55.901 58.309 -2.408 2
1 1285 . 2 2 B 12 12 ASP CB C 55 40.503 34.921 5.582 2
1 1286 . 2 2 B 12 12 ASP N N 55 120.309 123.126 -2.817 2
1 1287 . 2 2 B 13 13 ALA H H 56 8.114 8.081 0.033 2
1 1288 . 2 2 B 13 13 ALA HA H 56 3.986 4.032 -0.046 2
1 1292 . 2 2 B 13 13 ALA C C 56 180.446 179.505 0.941 2
1 1293 . 2 2 B 13 13 ALA CA C 56 55.422 56.824 -1.402 2
1 1294 . 2 2 B 13 13 ALA CB C 56 18.001 24.229 -6.228 2
1 1295 . 2 2 B 13 13 ALA N N 56 122.864 120.924 1.940 2
1 1296 . 2 2 B 14 14 GLU H H 57 8.105 8.002 0.103 2
1 1297 . 2 2 B 14 14 GLU HA H 57 4.010 4.218 -0.208 2
1 1302 . 2 2 B 14 14 GLU C C 57 178.914 178.985 -0.071 2
1 1303 . 2 2 B 14 14 GLU CA C 57 59.175 56.820 2.355 2
1 1304 . 2 2 B 14 14 GLU CB C 57 28.904 24.248 4.656 2
1 1306 . 2 2 B 14 14 GLU N N 57 117.931 120.277 -2.346 2
1 1307 . 2 2 B 15 15 LEU H H 58 7.813 8.037 -0.224 2
1 1308 . 2 2 B 15 15 LEU HA H 58 4.062 3.474 0.588 2
1 1318 . 2 2 B 15 15 LEU C C 58 178.634 179.438 -0.804 2
1 1319 . 2 2 B 15 15 LEU CA C 58 56.960 57.685 -0.725 2
1 1320 . 2 2 B 15 15 LEU CB C 58 41.973 41.498 0.475 2
1 1324 . 2 2 B 15 15 LEU N N 58 119.867 119.501 0.366 2
1 1325 . 2 2 B 16 16 VAL H H 59 8.491 7.762 0.729 2
1 1326 . 2 2 B 16 16 VAL HA H 59 3.365 3.854 -0.489 2
1 1334 . 2 2 B 16 16 VAL C C 59 177.147 177.523 -0.376 2
1 1335 . 2 2 B 16 16 VAL CA C 59 67.142 62.446 4.696 2
1 1336 . 2 2 B 16 16 VAL CB C 59 31.176 31.723 -0.547 2
1 1339 . 2 2 B 16 16 VAL N N 59 118.357 116.594 1.763 2
1 1340 . 2 2 B 17 17 GLU H H 60 7.411 8.066 -0.655 2
1 1341 . 2 2 B 17 17 GLU HA H 60 4.015 4.082 -0.067 2
1 1346 . 2 2 B 17 17 GLU C C 60 179.636 178.636 1.000 2
1 1347 . 2 2 B 17 17 GLU CA C 60 59.203 59.086 0.117 2
1 1348 . 2 2 B 17 17 GLU CB C 60 28.970 29.328 -0.358 2
1 1350 . 2 2 B 17 17 GLU N N 60 117.103 119.819 -2.716 2
1 1351 . 2 2 B 18 18 ILE H H 61 7.574 7.787 -0.213 2
1 1352 . 2 2 B 18 18 ILE HA H 61 3.830 4.142 -0.312 2
1 1362 . 2 2 B 18 18 ILE C C 61 178.001 178.295 -0.294 2
1 1363 . 2 2 B 18 18 ILE CA C 61 63.982 62.204 1.778 2
1 1364 . 2 2 B 18 18 ILE CB C 61 38.483 32.916 5.567 2
1 1368 . 2 2 B 18 18 ILE N N 61 120.727 120.106 0.621 2
1 1369 . 2 2 B 19 19 VAL H H 62 8.294 7.708 0.586 2
1 1370 . 2 2 B 19 19 VAL HA H 62 3.360 3.971 -0.611 2
1 1378 . 2 2 B 19 19 VAL C C 62 177.338 177.708 -0.370 2
1 1379 . 2 2 B 19 19 VAL CA C 62 66.364 61.948 4.416 2
1 1380 . 2 2 B 19 19 VAL CB C 62 31.203 30.689 0.515 2
1 1383 . 2 2 B 19 19 VAL N N 62 119.635 121.220 -1.585 2
1 1384 . 2 2 B 20 20 LYS H H 63 8.780 7.862 0.918 2
1 1385 . 2 2 B 20 20 LYS HA H 63 3.784 4.170 -0.386 2
1 1394 . 2 2 B 20 20 LYS C C 63 179.209 178.722 0.487 2
1 1395 . 2 2 B 20 20 LYS CA C 63 60.096 58.304 1.792 2
1 1396 . 2 2 B 20 20 LYS CB C 63 32.673 32.176 0.497 2
1 1400 . 2 2 B 20 20 LYS N N 63 118.009 118.133 -0.124 2
1 1401 . 2 2 B 21 21 GLU H H 64 7.567 7.638 -0.071 2
1 1402 . 2 2 B 21 21 GLU HA H 64 4.084 4.398 -0.314 2
1 1407 . 2 2 B 21 21 GLU C C 64 179.592 179.419 0.173 2
1 1408 . 2 2 B 21 21 GLU CA C 64 58.728 56.348 2.380 2
1 1409 . 2 2 B 21 21 GLU CB C 64 28.974 36.802 -7.828 2
1 1411 . 2 2 B 21 21 GLU N N 64 117.452 118.170 -0.718 2
1 1412 . 2 2 B 22 22 ARG H H 65 8.156 7.976 0.180 2
1 1413 . 2 2 B 22 22 ARG HA H 65 4.053 4.127 -0.074 2
1 1420 . 2 2 B 22 22 ARG C C 65 177.986 178.287 -0.301 2
1 1421 . 2 2 B 22 22 ARG CA C 65 61.243 51.808 9.435 2
1 1422 . 2 2 B 22 22 ARG CB C 65 29.980 30.197 -0.217 2
1 1425 . 2 2 B 22 22 ARG N N 65 119.635 113.479 6.156 2
1 1426 . 2 2 B 23 23 LEU H H 66 8.436 8.435 0.001 2
1 1427 . 2 2 B 23 23 LEU HA H 66 4.106 4.172 -0.066 2
1 1437 . 2 2 B 23 23 LEU C C 66 178.620 178.840 -0.220 2
1 1438 . 2 2 B 23 23 LEU CA C 66 56.667 59.236 -2.569 2
1 1439 . 2 2 B 23 23 LEU CB C 66 41.465 52.300 -10.835 2
1 1443 . 2 2 B 23 23 LEU N N 66 115.686 118.682 -2.996 2
1 1444 . 2 2 B 24 24 ARG H H 67 7.404 8.191 -0.787 2
1 1445 . 2 2 B 24 24 ARG HA H 67 4.165 4.095 0.069 2
1 1452 . 2 2 B 24 24 ARG C C 67 177.147 176.373 0.774 2
1 1453 . 2 2 B 24 24 ARG CA C 67 59.004 62.272 -3.268 2
1 1454 . 2 2 B 24 24 ARG CB C 67 30.472 49.043 -18.571 2
1 1457 . 2 2 B 24 24 ARG N N 67 118.427 117.540 0.887 2
1 1458 . 2 2 B 25 25 ASN H H 68 7.322 7.853 -0.531 2
1 1459 . 2 2 B 25 25 ASN HA H 68 5.064 4.276 0.788 2
1 1464 . 2 2 B 25 25 ASN CA C 68 51.014 58.834 -7.820 2
1 1465 . 2 2 B 25 25 ASN CB C 68 38.696 35.010 3.686 2
1 1466 . 2 2 B 25 25 ASN N N 68 114.083 119.627 -5.544 2
1 1468 . 2 2 B 26 26 PRO HA H 69 4.521 4.233 0.288 2
1 1475 . 2 2 B 26 26 PRO C C 69 177.323 176.953 0.370 2
1 1476 . 2 2 B 26 26 PRO CA C 69 63.698 61.746 1.952 2
1 1477 . 2 2 B 26 26 PRO CB C 69 33.286 30.816 2.470 2
1 1480 . 2 2 B 27 27 LYS H H 70 8.672 8.057 0.615 2
1 1481 . 2 2 B 27 27 LYS HA H 70 4.980 4.042 0.938 2
1 1490 . 2 2 B 27 27 LYS CA C 70 52.767 57.695 -4.928 2
1 1491 . 2 2 B 27 27 LYS CB C 70 33.540 30.162 3.378 2
1 1495 . 2 2 B 27 27 LYS N N 70 121.210 117.439 3.771 2
1 1496 . 2 2 B 28 28 PRO HA H 71 4.467 4.367 0.100 2
1 1503 . 2 2 B 28 28 PRO C C 71 177.235 175.697 1.538 2
1 1504 . 2 2 B 28 28 PRO CA C 71 63.859 60.537 3.322 2
1 1505 . 2 2 B 28 28 PRO CB C 71 32.632 30.314 2.318 2
1 1508 . 2 2 B 29 29 VAL H H 72 9.036 8.337 0.699 2
1 1509 . 2 2 B 29 29 VAL HA H 72 4.155 4.212 -0.057 2
1 1517 . 2 2 B 29 29 VAL C C 72 174.554 175.109 -0.555 2
1 1518 . 2 2 B 29 29 VAL CA C 72 61.506 59.489 2.017 2
1 1519 . 2 2 B 29 29 VAL CB C 72 34.764 37.587 -2.823 2
1 1522 . 2 2 B 29 29 VAL N N 72 124.322 121.387 2.935 2
1 1523 . 2 2 B 30 30 ARG H H 73 8.437 8.335 0.102 2
1 1524 . 2 2 B 30 30 ARG HA H 73 5.195 4.253 0.942 2
1 1531 . 2 2 B 30 30 ARG C C 73 176.248 176.131 0.117 2
1 1532 . 2 2 B 30 30 ARG CA C 73 55.189 58.050 -2.861 2
1 1533 . 2 2 B 30 30 ARG CB C 73 27.764 31.265 -3.501 2
1 1536 . 2 2 B 30 30 ARG N N 73 129.461 123.179 6.282 2
1 1537 . 2 2 B 31 31 VAL H H 74 8.822 8.181 0.641 2
1 1538 . 2 2 B 31 31 VAL HA H 74 4.889 4.609 0.280 2
1 1546 . 2 2 B 31 31 VAL C C 74 173.965 173.923 0.042 2
1 1547 . 2 2 B 31 31 VAL CA C 74 59.055 59.361 -0.306 2
1 1548 . 2 2 B 31 31 VAL CB C 74 35.653 34.220 1.433 2
1 1551 . 2 2 B 31 31 VAL N N 74 123.375 119.484 3.891 2
1 1552 . 2 2 B 32 32 THR H H 75 7.855 7.947 -0.092 2
1 1553 . 2 2 B 32 32 THR HA H 75 4.730 4.603 0.127 2
1 1558 . 2 2 B 32 32 THR C C 75 175.865 175.263 0.602 2
1 1559 . 2 2 B 32 32 THR CA C 75 59.052 58.881 0.171 2
1 1560 . 2 2 B 32 32 THR CB C 75 71.228 71.972 -0.744 2
1 1562 . 2 2 B 32 32 THR N N 75 109.507 114.996 -5.489 2
1 1563 . 2 2 B 33 33 LEU H H 76 8.841 8.395 0.446 2
1 1564 . 2 2 B 33 33 LEU HA H 76 3.773 4.007 -0.234 2
1 1574 . 2 2 B 33 33 LEU C C 76 178.737 178.729 0.008 2
1 1575 . 2 2 B 33 33 LEU CA C 76 57.892 57.475 0.417 2
1 1576 . 2 2 B 33 33 LEU CB C 76 41.057 41.563 -0.506 2
1 1580 . 2 2 B 33 33 LEU N N 76 121.099 120.945 0.153 2
1 1581 . 2 2 B 34 34 ASP H H 77 7.983 8.065 -0.082 2
1 1582 . 2 2 B 34 34 ASP HA H 77 4.431 4.074 0.357 2
1 1585 . 2 2 B 34 34 ASP C C 77 177.088 177.817 -0.729 2
1 1586 . 2 2 B 34 34 ASP CA C 77 55.837 61.064 -5.227 2
1 1587 . 2 2 B 34 34 ASP CB C 77 40.498 36.408 4.090 2
1 1588 . 2 2 B 34 34 ASP N N 77 113.851 119.431 -5.580 2
1 1589 . 2 2 B 35 35 GLU H H 78 7.561 8.022 -0.461 2
1 1590 . 2 2 B 35 35 GLU HA H 78 4.320 4.205 0.115 2
1 1595 . 2 2 B 35 35 GLU C C 78 175.482 176.901 -1.419 2
1 1596 . 2 2 B 35 35 GLU CA C 78 55.918 57.990 -2.072 2
1 1597 . 2 2 B 35 35 GLU CB C 78 30.767 29.633 1.134 2
1 1599 . 2 2 B 35 35 GLU N N 78 117.508 118.024 -0.516 2
stop_
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