data_15811_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15811
_Entry.PDB_ID 2K4X
_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 16 . 1 1 1 A 2 2 GLN H H 2 8.326 7.965 0.361 1
1 17 . 1 1 1 A 2 2 GLN HA H 2 4.252 4.172 0.080 1
1 18 . 1 1 1 A 2 2 GLN CA C 2 55.970 56.519 -0.549 1
1 19 . 1 1 1 A 2 2 GLN CB C 2 29.990 27.731 2.259 1
1 20 . 1 1 1 A 2 2 GLN N N 2 123.332 116.024 7.308 1
1 21 . 1 1 1 A 3 3 LYS HA H 3 4.229 4.879 -0.650 1
1 22 . 1 1 1 A 3 3 LYS C C 3 176.404 175.463 0.941 1
1 23 . 1 1 1 A 3 3 LYS CA C 3 56.570 55.441 1.129 1
1 24 . 1 1 1 A 3 3 LYS CB C 3 32.880 33.667 -0.787 1
1 25 . 1 1 1 A 4 4 ARG H H 4 8.303 8.848 -0.545 1
1 26 . 1 1 1 A 4 4 ARG HA H 4 4.237 4.755 -0.518 1
1 33 . 1 1 1 A 4 4 ARG C C 4 176.656 175.340 1.316 1
1 34 . 1 1 1 A 4 4 ARG CA C 4 56.420 55.168 1.252 1
1 35 . 1 1 1 A 4 4 ARG CB C 4 30.910 30.031 0.879 1
1 38 . 1 1 1 A 4 4 ARG N N 4 122.770 125.375 -2.605 1
1 39 . 1 1 1 A 5 5 GLU H H 5 8.472 8.967 -0.495 1
1 40 . 1 1 1 A 5 5 GLU HA H 5 4.201 4.805 -0.604 1
1 45 . 1 1 1 A 5 5 GLU C C 5 176.137 175.287 0.850 1
1 46 . 1 1 1 A 5 5 GLU CA C 5 56.650 55.387 1.263 1
1 47 . 1 1 1 A 5 5 GLU CB C 5 30.400 30.600 -0.200 1
1 49 . 1 1 1 A 5 5 GLU N N 5 121.724 124.740 -3.016 1
1 50 . 1 1 1 A 6 6 LEU H H 6 8.127 8.633 -0.506 1
1 51 . 1 1 1 A 6 6 LEU HA H 6 4.200 4.710 -0.510 1
1 61 . 1 1 1 A 6 6 LEU C C 6 176.782 175.425 1.357 1
1 62 . 1 1 1 A 6 6 LEU CA C 6 55.200 53.975 1.225 1
1 63 . 1 1 1 A 6 6 LEU CB C 6 42.520 40.748 1.772 1
1 67 . 1 1 1 A 6 6 LEU N N 6 122.169 126.622 -4.453 1
1 68 . 1 1 1 A 7 7 TYR H H 7 7.943 8.619 -0.676 1
1 69 . 1 1 1 A 7 7 TYR HA H 7 4.636 5.485 -0.849 1
1 76 . 1 1 1 A 7 7 TYR C C 7 175.350 175.483 -0.133 1
1 77 . 1 1 1 A 7 7 TYR CA C 7 57.420 55.914 1.506 1
1 78 . 1 1 1 A 7 7 TYR CB C 7 39.370 40.495 -1.125 1
1 81 . 1 1 1 A 7 7 TYR N N 7 119.193 122.823 -3.630 1
1 82 . 1 1 1 A 8 8 GLU H H 8 8.314 8.511 -0.197 1
1 83 . 1 1 1 A 8 8 GLU HA H 8 4.314 4.452 -0.138 1
1 88 . 1 1 1 A 8 8 GLU C C 8 175.665 175.852 -0.187 1
1 89 . 1 1 1 A 8 8 GLU CA C 8 55.880 55.512 0.368 1
1 90 . 1 1 1 A 8 8 GLU CB C 8 31.100 30.698 0.402 1
1 92 . 1 1 1 A 8 8 GLU N N 8 121.754 121.000 0.754 1
1 93 . 1 1 1 A 9 9 ILE H H 9 8.116 8.765 -0.649 1
1 94 . 1 1 1 A 9 9 ILE HA H 9 4.204 5.015 -0.811 1
1 104 . 1 1 1 A 9 9 ILE C C 9 176.058 174.380 1.678 1
1 105 . 1 1 1 A 9 9 ILE CA C 9 60.640 59.097 1.543 1
1 106 . 1 1 1 A 9 9 ILE CB C 9 38.440 42.371 -3.931 1
1 110 . 1 1 1 A 9 9 ILE N N 9 121.966 112.708 9.258 1
1 111 . 1 1 1 A 10 10 ALA H H 10 8.472 8.852 -0.380 1
1 112 . 1 1 1 A 10 10 ALA HA H 10 4.342 4.861 -0.519 1
1 116 . 1 1 1 A 10 10 ALA C C 10 177.286 175.542 1.744 1
1 117 . 1 1 1 A 10 10 ALA CA C 10 52.450 50.512 1.938 1
1 118 . 1 1 1 A 10 10 ALA CB C 10 19.420 19.880 -0.460 1
1 119 . 1 1 1 A 10 10 ALA N N 10 128.558 125.238 3.320 1
1 120 . 1 1 1 A 11 11 ASP H H 11 8.423 9.135 -0.712 1
1 121 . 1 1 1 A 11 11 ASP HA H 11 4.423 5.365 -0.942 1
1 124 . 1 1 1 A 11 11 ASP C C 11 176.798 176.020 0.778 1
1 125 . 1 1 1 A 11 11 ASP CA C 11 54.780 53.028 1.752 1
1 126 . 1 1 1 A 11 11 ASP CB C 11 40.900 43.878 -2.978 1
1 127 . 1 1 1 A 11 11 ASP N N 11 120.945 125.299 -4.354 1
1 128 . 1 1 1 A 12 12 GLY H H 12 8.263 8.681 -0.418 1
1 129 . 1 1 1 A 12 12 GLY HA2 H 12 3.928 3.980 -0.052 1
1 130 . 1 1 1 A 12 12 GLY HA3 H 12 3.765 3.980 -0.215 1
1 131 . 1 1 1 A 12 12 GLY C C 12 174.326 173.478 0.848 1
1 132 . 1 1 1 A 12 12 GLY CA C 12 45.630 45.982 -0.352 1
1 133 . 1 1 1 A 12 12 GLY N N 12 107.572 112.965 -5.393 1
1 134 . 1 1 1 A 13 13 LYS H H 13 7.974 8.609 -0.635 1
1 135 . 1 1 1 A 13 13 LYS HA H 13 4.286 4.425 -0.139 1
1 144 . 1 1 1 A 13 13 LYS C C 13 176.105 174.738 1.367 1
1 145 . 1 1 1 A 13 13 LYS CA C 13 55.970 56.369 -0.399 1
1 146 . 1 1 1 A 13 13 LYS CB C 13 33.000 32.163 0.837 1
1 150 . 1 1 1 A 13 13 LYS N N 13 120.339 125.663 -5.324 1
1 151 . 1 1 1 A 14 14 LEU H H 14 8.103 8.778 -0.675 1
1 152 . 1 1 1 A 14 14 LEU HA H 14 4.355 4.922 -0.567 1
1 162 . 1 1 1 A 14 14 LEU C C 14 177.050 176.015 1.035 1
1 163 . 1 1 1 A 14 14 LEU CA C 14 54.990 53.943 1.047 1
1 164 . 1 1 1 A 14 14 LEU CB C 14 42.180 41.164 1.016 1
1 168 . 1 1 1 A 14 14 LEU N N 14 122.169 128.195 -6.026 1
1 169 . 1 1 1 A 15 15 VAL H H 15 8.236 8.633 -0.397 1
1 170 . 1 1 1 A 15 15 VAL HA H 15 4.090 4.609 -0.519 1
1 178 . 1 1 1 A 15 15 VAL C C 15 175.680 175.230 0.450 1
1 179 . 1 1 1 A 15 15 VAL CA C 15 62.000 61.634 0.366 1
1 180 . 1 1 1 A 15 15 VAL CB C 15 33.050 34.013 -0.963 1
1 182 . 1 1 1 A 15 15 VAL N N 15 122.264 124.732 -2.468 1
1 183 . 1 1 1 A 16 16 ARG H H 16 8.293 8.739 -0.446 1
1 184 . 1 1 1 A 16 16 ARG HA H 16 4.187 4.573 -0.386 1
1 191 . 1 1 1 A 16 16 ARG C C 16 175.822 175.762 0.060 1
1 192 . 1 1 1 A 16 16 ARG CA C 16 55.820 55.356 0.464 1
1 193 . 1 1 1 A 16 16 ARG CB C 16 30.820 29.343 1.477 1
1 196 . 1 1 1 A 16 16 ARG N N 16 124.903 127.348 -2.445 1
1 197 . 1 1 1 A 17 17 LYS H H 17 8.239 8.467 -0.228 1
1 198 . 1 1 1 A 17 17 LYS HA H 17 4.130 4.033 0.097 1
1 207 . 1 1 1 A 17 17 LYS C C 17 175.995 177.374 -1.379 1
1 208 . 1 1 1 A 17 17 LYS CA C 17 56.270 57.277 -1.007 1
1 209 . 1 1 1 A 17 17 LYS CB C 17 33.130 32.674 0.456 1
1 213 . 1 1 1 A 17 17 LYS N N 17 123.108 125.793 -2.685 1
1 214 . 1 1 1 A 18 18 HIS H H 18 8.067 8.540 -0.473 1
1 215 . 1 1 1 A 18 18 HIS HA H 18 4.572 3.906 0.666 1
1 218 . 1 1 1 A 18 18 HIS C C 18 174.736 173.644 1.092 1
1 219 . 1 1 1 A 18 18 HIS CA C 18 55.460 56.548 -1.088 1
1 220 . 1 1 1 A 18 18 HIS CB C 18 31.390 26.877 4.513 1
1 221 . 1 1 1 A 18 18 HIS N N 18 120.275 117.644 2.631 1
1 222 . 1 1 1 A 19 19 ARG H H 19 8.767 7.740 1.027 1
1 223 . 1 1 1 A 19 19 ARG HA H 19 4.254 4.368 -0.114 1
1 230 . 1 1 1 A 19 19 ARG C C 19 175.790 175.929 -0.139 1
1 231 . 1 1 1 A 19 19 ARG CA C 19 55.480 55.997 -0.517 1
1 232 . 1 1 1 A 19 19 ARG CB C 19 32.050 30.596 1.454 1
1 235 . 1 1 1 A 19 19 ARG N N 19 122.186 119.736 2.450 1
1 236 . 1 1 1 A 20 20 PHE H H 20 7.866 8.901 -1.035 1
1 237 . 1 1 1 A 20 20 PHE HA H 20 5.296 4.751 0.545 1
1 245 . 1 1 1 A 20 20 PHE C C 20 174.673 175.595 -0.922 1
1 246 . 1 1 1 A 20 20 PHE CA C 20 54.520 58.188 -3.668 1
1 247 . 1 1 1 A 20 20 PHE CB C 20 40.050 39.956 0.094 1
1 251 . 1 1 1 A 20 20 PHE N N 20 120.369 125.937 -5.568 1
1 252 . 1 1 1 A 21 21 CYS H H 21 8.557 8.509 0.048 1
1 253 . 1 1 1 A 21 21 CYS HA H 21 4.062 4.468 -0.406 1
1 256 . 1 1 1 A 21 21 CYS CA C 21 56.880 56.163 0.717 1
1 257 . 1 1 1 A 21 21 CYS CB C 21 30.710 29.030 1.680 1
1 258 . 1 1 1 A 21 21 CYS N N 21 123.994 120.301 3.693 1
1 259 . 1 1 1 A 22 22 PRO HA H 22 4.211 4.252 -0.041 1
1 266 . 1 1 1 A 22 22 PRO C C 22 177.475 178.794 -1.319 1
1 267 . 1 1 1 A 22 22 PRO CA C 22 64.260 65.633 -1.373 1
1 268 . 1 1 1 A 22 22 PRO CB C 22 31.730 31.456 0.274 1
1 271 . 1 1 1 A 23 23 ARG H H 23 8.569 8.330 0.239 1
1 272 . 1 1 1 A 23 23 ARG HA H 23 4.223 4.058 0.165 1
1 279 . 1 1 1 A 23 23 ARG C C 23 178.246 177.591 0.655 1
1 280 . 1 1 1 A 23 23 ARG CA C 23 58.030 58.328 -0.298 1
1 281 . 1 1 1 A 23 23 ARG CB C 23 31.240 30.075 1.165 1
1 284 . 1 1 1 A 23 23 ARG N N 23 121.075 117.701 3.374 1
1 285 . 1 1 1 A 24 24 CYS H H 24 9.550 7.983 1.567 1
1 286 . 1 1 1 A 24 24 CYS HA H 24 3.872 4.467 -0.595 1
1 289 . 1 1 1 A 24 24 CYS C C 24 177.302 176.053 1.249 1
1 290 . 1 1 1 A 24 24 CYS CA C 24 63.060 60.127 2.933 1
1 291 . 1 1 1 A 24 24 CYS CB C 24 30.120 27.763 2.357 1
1 292 . 1 1 1 A 24 24 CYS N N 24 123.692 117.523 6.169 1
1 293 . 1 1 1 A 25 25 GLY H H 25 8.166 8.325 -0.159 1
1 294 . 1 1 1 A 25 25 GLY HA2 H 25 4.142 3.729 0.413 1
1 295 . 1 1 1 A 25 25 GLY HA3 H 25 3.623 3.900 -0.277 1
1 296 . 1 1 1 A 25 25 GLY CA C 25 44.640 48.060 -3.420 1
1 297 . 1 1 1 A 25 25 GLY N N 25 107.593 109.656 -2.063 1
1 298 . 1 1 1 A 26 26 PRO HA H 26 2.807 4.168 -1.361 1
1 305 . 1 1 1 A 26 26 PRO C C 26 176.940 177.477 -0.537 1
1 306 . 1 1 1 A 26 26 PRO CA C 26 63.060 63.641 -0.581 1
1 307 . 1 1 1 A 26 26 PRO CB C 26 31.650 30.810 0.840 1
1 310 . 1 1 1 A 27 27 GLY H H 27 6.847 8.589 -1.742 1
1 311 . 1 1 1 A 27 27 GLY HA2 H 27 3.800 3.960 -0.160 1
1 312 . 1 1 1 A 27 27 GLY HA3 H 27 3.334 3.979 -0.645 1
1 313 . 1 1 1 A 27 27 GLY C C 27 172.705 173.948 -1.243 1
1 314 . 1 1 1 A 27 27 GLY CA C 27 44.400 45.267 -0.867 1
1 315 . 1 1 1 A 27 27 GLY N N 27 108.726 112.856 -4.130 1
1 316 . 1 1 1 A 28 28 VAL H H 28 7.416 7.939 -0.523 1
1 317 . 1 1 1 A 28 28 VAL HA H 28 3.964 4.489 -0.525 1
1 325 . 1 1 1 A 28 28 VAL C C 28 174.626 175.422 -0.796 1
1 326 . 1 1 1 A 28 28 VAL CA C 28 62.040 61.776 0.264 1
1 327 . 1 1 1 A 28 28 VAL CB C 28 32.080 33.597 -1.517 1
1 330 . 1 1 1 A 28 28 VAL N N 28 123.159 121.707 1.452 1
1 331 . 1 1 1 A 29 29 PHE H H 29 8.484 9.404 -0.920 1
1 332 . 1 1 1 A 29 29 PHE HA H 29 4.905 4.833 0.072 1
1 340 . 1 1 1 A 29 29 PHE C C 29 177.349 174.728 2.621 1
1 341 . 1 1 1 A 29 29 PHE CA C 29 57.800 57.151 0.649 1
1 342 . 1 1 1 A 29 29 PHE CB C 29 40.050 39.640 0.410 1
1 346 . 1 1 1 A 29 29 PHE N N 29 124.513 126.872 -2.359 1
1 347 . 1 1 1 A 30 30 LEU H H 30 8.615 8.391 0.224 1
1 348 . 1 1 1 A 30 30 LEU HA H 30 4.425 4.723 -0.298 1
1 358 . 1 1 1 A 30 30 LEU C C 30 176.877 175.555 1.322 1
1 359 . 1 1 1 A 30 30 LEU CA C 30 54.180 53.986 0.194 1
1 360 . 1 1 1 A 30 30 LEU CB C 30 42.470 43.463 -0.993 1
1 364 . 1 1 1 A 30 30 LEU N N 30 120.729 122.542 -1.813 1
1 365 . 1 1 1 A 31 31 ALA H H 31 9.109 8.393 0.716 1
1 366 . 1 1 1 A 31 31 ALA HA H 31 4.502 4.362 0.140 1
1 370 . 1 1 1 A 31 31 ALA C C 31 176.231 176.773 -0.542 1
1 371 . 1 1 1 A 31 31 ALA CA C 31 51.170 52.211 -1.041 1
1 372 . 1 1 1 A 31 31 ALA CB C 31 20.140 18.681 1.459 1
1 373 . 1 1 1 A 31 31 ALA N N 31 126.827 129.773 -2.946 1
1 374 . 1 1 1 A 32 32 GLU H H 32 8.580 8.696 -0.116 1
1 375 . 1 1 1 A 32 32 GLU HA H 32 4.172 4.530 -0.358 1
1 380 . 1 1 1 A 32 32 GLU C C 32 174.736 175.564 -0.828 1
1 381 . 1 1 1 A 32 32 GLU CA C 32 56.140 55.809 0.331 1
1 382 . 1 1 1 A 32 32 GLU CB C 32 30.540 30.171 0.369 1
1 384 . 1 1 1 A 32 32 GLU N N 32 122.632 126.001 -3.369 1
1 385 . 1 1 1 A 33 33 HIS H H 33 8.596 9.072 -0.476 1
1 386 . 1 1 1 A 33 33 HIS HA H 33 4.816 4.813 0.003 1
1 390 . 1 1 1 A 33 33 HIS CA C 33 53.900 55.622 -1.722 1
1 391 . 1 1 1 A 33 33 HIS CB C 33 33.160 32.253 0.907 1
1 393 . 1 1 1 A 33 33 HIS N N 33 126.719 124.265 2.454 1
1 394 . 1 1 1 A 34 34 ALA HA H 34 4.011 3.898 0.113 1
1 398 . 1 1 1 A 34 34 ALA C C 34 178.514 177.824 0.690 1
1 399 . 1 1 1 A 34 34 ALA CA C 34 55.850 54.808 1.042 1
1 400 . 1 1 1 A 34 34 ALA CB C 34 18.060 18.416 -0.356 1
1 401 . 1 1 1 A 35 35 ASP H H 35 8.241 8.168 0.073 1
1 402 . 1 1 1 A 35 35 ASP HA H 35 4.737 4.768 -0.031 1
1 405 . 1 1 1 A 35 35 ASP C C 35 177.003 175.629 1.374 1
1 406 . 1 1 1 A 35 35 ASP CA C 35 53.040 53.632 -0.592 1
1 407 . 1 1 1 A 35 35 ASP CB C 35 41.840 41.854 -0.014 1
1 408 . 1 1 1 A 35 35 ASP N N 35 108.393 113.546 -5.153 1
1 409 . 1 1 1 A 36 36 ARG H H 36 7.175 7.313 -0.138 1
1 410 . 1 1 1 A 36 36 ARG HA H 36 4.940 4.428 0.512 1
1 417 . 1 1 1 A 36 36 ARG C C 36 171.430 172.815 -1.385 1
1 418 . 1 1 1 A 36 36 ARG CA C 36 54.670 54.839 -0.169 1
1 419 . 1 1 1 A 36 36 ARG CB C 36 31.550 31.907 -0.357 1
1 422 . 1 1 1 A 36 36 ARG N N 36 116.403 116.299 0.104 1
1 423 . 1 1 1 A 37 37 TYR H H 37 9.025 8.610 0.415 1
1 424 . 1 1 1 A 37 37 TYR HA H 37 5.546 5.939 -0.393 1
1 431 . 1 1 1 A 37 37 TYR C C 37 176.027 174.601 1.426 1
1 432 . 1 1 1 A 37 37 TYR CA C 37 56.400 56.367 0.033 1
1 433 . 1 1 1 A 37 37 TYR CB C 37 41.830 43.388 -1.558 1
1 436 . 1 1 1 A 37 37 TYR N N 37 118.099 116.744 1.355 1
1 437 . 1 1 1 A 38 38 SER H H 38 9.208 8.619 0.589 1
1 438 . 1 1 1 A 38 38 SER HA H 38 5.675 5.030 0.645 1
1 441 . 1 1 1 A 38 38 SER C C 38 172.862 172.155 0.707 1
1 442 . 1 1 1 A 38 38 SER CA C 38 57.200 56.730 0.470 1
1 443 . 1 1 1 A 38 38 SER CB C 38 67.430 64.659 2.771 1
1 444 . 1 1 1 A 38 38 SER N N 38 114.608 115.625 -1.017 1
1 445 . 1 1 1 A 39 39 CYS H H 39 9.403 8.730 0.673 1
1 446 . 1 1 1 A 39 39 CYS HA H 39 4.781 4.749 0.032 1
1 449 . 1 1 1 A 39 39 CYS C C 39 177.931 173.403 4.528 1
1 450 . 1 1 1 A 39 39 CYS CA C 39 58.680 57.711 0.969 1
1 451 . 1 1 1 A 39 39 CYS CB C 39 32.710 28.567 4.143 1
1 452 . 1 1 1 A 39 39 CYS N N 39 127.346 121.927 5.419 1
1 453 . 1 1 1 A 40 40 GLY H H 40 9.147 8.736 0.411 1
1 454 . 1 1 1 A 40 40 GLY HA2 H 40 4.053 3.904 0.149 1
1 455 . 1 1 1 A 40 40 GLY HA3 H 40 3.875 3.913 -0.038 1
1 456 . 1 1 1 A 40 40 GLY C C 40 173.602 174.198 -0.596 1
1 457 . 1 1 1 A 40 40 GLY CA C 40 46.270 46.994 -0.724 1
1 458 . 1 1 1 A 40 40 GLY N N 40 119.366 114.520 4.846 1
1 459 . 1 1 1 A 41 41 ARG H H 41 9.279 8.382 0.897 1
1 460 . 1 1 1 A 41 41 ARG HA H 41 4.362 4.578 -0.216 1
1 467 . 1 1 1 A 41 41 ARG C C 41 177.601 176.947 0.654 1
1 468 . 1 1 1 A 41 41 ARG CA C 41 58.200 57.334 0.866 1
1 469 . 1 1 1 A 41 41 ARG CB C 41 30.980 32.637 -1.657 1
1 472 . 1 1 1 A 41 41 ARG N N 41 123.467 124.286 -0.819 1
1 473 . 1 1 1 A 42 42 CYS H H 42 8.759 7.586 1.173 1
1 474 . 1 1 1 A 42 42 CYS HA H 42 4.944 4.647 0.297 1
1 477 . 1 1 1 A 42 42 CYS C C 42 177.160 175.898 1.262 1
1 478 . 1 1 1 A 42 42 CYS CA C 42 58.390 58.552 -0.162 1
1 479 . 1 1 1 A 42 42 CYS CB C 42 33.600 29.602 3.998 1
1 480 . 1 1 1 A 42 42 CYS N N 42 118.328 115.398 2.930 1
1 481 . 1 1 1 A 43 43 GLY H H 43 7.686 7.962 -0.276 1
1 482 . 1 1 1 A 43 43 GLY HA2 H 43 4.251 3.928 0.323 1
1 483 . 1 1 1 A 43 43 GLY HA3 H 43 3.782 3.935 -0.153 1
1 484 . 1 1 1 A 43 43 GLY C C 43 174.122 174.062 0.060 1
1 485 . 1 1 1 A 43 43 GLY CA C 43 46.100 46.002 0.098 1
1 486 . 1 1 1 A 43 43 GLY N N 43 112.843 111.415 1.428 1
1 487 . 1 1 1 A 44 44 TYR H H 44 9.285 8.101 1.184 1
1 488 . 1 1 1 A 44 44 TYR HA H 44 4.109 4.399 -0.290 1
1 495 . 1 1 1 A 44 44 TYR C C 44 174.248 174.894 -0.646 1
1 496 . 1 1 1 A 44 44 TYR CA C 44 60.680 57.770 2.910 1
1 497 . 1 1 1 A 44 44 TYR CB C 44 39.840 38.502 1.338 1
1 500 . 1 1 1 A 44 44 TYR N N 44 127.411 122.089 5.322 1
1 501 . 1 1 1 A 45 45 THR H H 45 7.572 8.615 -1.043 1
1 502 . 1 1 1 A 45 45 THR HA H 45 4.763 4.846 -0.083 1
1 507 . 1 1 1 A 45 45 THR C C 45 171.635 172.729 -1.094 1
1 508 . 1 1 1 A 45 45 THR CA C 45 60.820 60.523 0.297 1
1 509 . 1 1 1 A 45 45 THR CB C 45 72.660 71.265 1.395 1
1 511 . 1 1 1 A 45 45 THR N N 45 122.481 123.948 -1.467 1
1 512 . 1 1 1 A 46 46 GLU H H 46 8.456 8.242 0.214 1
1 513 . 1 1 1 A 46 46 GLU HA H 46 4.430 4.732 -0.302 1
1 518 . 1 1 1 A 46 46 GLU C C 46 175.240 174.687 0.553 1
1 519 . 1 1 1 A 46 46 GLU CA C 46 54.100 55.110 -1.010 1
1 520 . 1 1 1 A 46 46 GLU CB C 46 33.180 33.716 -0.536 1
1 522 . 1 1 1 A 46 46 GLU N N 46 124.924 126.308 -1.384 1
1 523 . 1 1 1 A 47 47 PHE H H 47 9.084 9.229 -0.145 1
1 524 . 1 1 1 A 47 47 PHE HA H 47 4.417 4.836 -0.419 1
1 529 . 1 1 1 A 47 47 PHE C C 47 176.987 176.035 0.952 1
1 530 . 1 1 1 A 47 47 PHE CA C 47 59.920 57.477 2.443 1
1 531 . 1 1 1 A 47 47 PHE CB C 47 39.420 40.887 -1.467 1
1 533 . 1 1 1 A 47 47 PHE N N 47 125.357 123.841 1.516 1
1 534 . 1 1 1 A 48 48 LYS H H 48 8.082 8.195 -0.113 1
1 535 . 1 1 1 A 48 48 LYS HA H 48 4.233 4.498 -0.265 1
1 544 . 1 1 1 A 48 48 LYS C C 48 176.278 175.681 0.597 1
1 545 . 1 1 1 A 48 48 LYS CA C 48 57.670 56.048 1.622 1
1 546 . 1 1 1 A 48 48 LYS CB C 48 33.900 31.563 2.337 1
1 550 . 1 1 1 A 48 48 LYS N N 48 122.654 122.446 0.208 1
1 551 . 1 1 1 A 49 49 LYS H H 49 8.475 8.077 0.398 1
1 552 . 1 1 1 A 49 49 LYS HA H 49 4.299 4.362 -0.063 1
1 561 . 1 1 1 A 49 49 LYS C C 49 175.979 176.827 -0.848 1
1 562 . 1 1 1 A 49 49 LYS CA C 49 56.100 56.855 -0.755 1
1 563 . 1 1 1 A 49 49 LYS CB C 49 33.090 32.439 0.651 1
1 567 . 1 1 1 A 49 49 LYS N N 49 121.521 124.623 -3.102 1
1 568 . 1 1 1 A 50 50 ALA H H 50 8.250 8.369 -0.119 1
1 569 . 1 1 1 A 50 50 ALA HA H 50 4.264 4.388 -0.124 1
1 573 . 1 1 1 A 50 50 ALA C C 50 177.617 177.193 0.424 1
1 574 . 1 1 1 A 50 50 ALA CA C 50 52.490 52.884 -0.394 1
1 575 . 1 1 1 A 50 50 ALA CB C 50 19.420 19.083 0.337 1
1 576 . 1 1 1 A 50 50 ALA N N 50 125.681 127.616 -1.935 1
1 577 . 1 1 1 A 51 51 LYS H H 51 8.279 8.665 -0.386 1
1 578 . 1 1 1 A 51 51 LYS HA H 51 4.296 4.553 -0.257 1
1 585 . 1 1 1 A 51 51 LYS C C 51 176.562 175.510 1.052 1
1 586 . 1 1 1 A 51 51 LYS CA C 51 56.300 55.601 0.699 1
1 587 . 1 1 1 A 51 51 LYS CB C 51 33.090 31.791 1.299 1
1 591 . 1 1 1 A 51 51 LYS N N 51 121.304 123.723 -2.419 1
1 592 . 1 1 1 A 52 52 LYS H H 52 8.312 8.111 0.201 1
1 593 . 1 1 1 A 52 52 LYS HA H 52 4.298 4.457 -0.159 1
1 598 . 1 1 1 A 52 52 LYS C C 52 176.530 175.748 0.782 1
1 599 . 1 1 1 A 52 52 LYS CA C 52 56.140 55.524 0.616 1
1 600 . 1 1 1 A 52 52 LYS CB C 52 33.180 31.008 2.172 1
1 603 . 1 1 1 A 52 52 LYS N N 52 123.129 125.293 -2.164 1
1 604 . 1 1 1 A 53 53 SER H H 53 8.309 8.249 0.060 1
1 605 . 1 1 1 A 53 53 SER HA H 53 4.399 4.984 -0.585 1
1 608 . 1 1 1 A 53 53 SER C C 53 174.531 175.871 -1.340 1
1 609 . 1 1 1 A 53 53 SER CA C 53 58.140 56.499 1.641 1
1 610 . 1 1 1 A 53 53 SER CB C 53 63.780 64.940 -1.160 1
1 611 . 1 1 1 A 53 53 SER N N 53 117.625 117.319 0.306 1
1 612 . 1 1 1 A 54 54 LYS H H 54 8.409 8.746 -0.337 1
1 613 . 1 1 1 A 54 54 LYS HA H 54 4.338 4.044 0.294 1
1 618 . 1 1 1 A 54 54 LYS CA C 54 56.650 58.512 -1.862 1
1 619 . 1 1 1 A 54 54 LYS CB C 54 32.920 32.077 0.843 1
1 621 . 1 1 1 A 54 54 LYS N N 54 123.196 120.926 2.270 1
1 16 . 2 1 1 A 2 2 GLN H H 2 8.326 9.061 -0.735 1
1 17 . 2 1 1 A 2 2 GLN HA H 2 4.252 5.141 -0.889 1
1 18 . 2 1 1 A 2 2 GLN CA C 2 55.970 53.868 2.102 1
1 19 . 2 1 1 A 2 2 GLN CB C 2 29.990 32.434 -2.444 1
1 20 . 2 1 1 A 2 2 GLN N N 2 123.332 119.143 4.189 1
1 21 . 2 1 1 A 3 3 LYS HA H 3 4.229 5.012 -0.783 1
1 22 . 2 1 1 A 3 3 LYS C C 3 176.404 174.954 1.450 1
1 23 . 2 1 1 A 3 3 LYS CA C 3 56.570 54.325 2.245 1
1 24 . 2 1 1 A 3 3 LYS CB C 3 32.880 36.114 -3.234 1
1 25 . 2 1 1 A 4 4 ARG H H 4 8.303 8.418 -0.115 1
1 26 . 2 1 1 A 4 4 ARG HA H 4 4.237 4.501 -0.264 1
1 33 . 2 1 1 A 4 4 ARG C C 4 176.656 175.247 1.409 1
1 34 . 2 1 1 A 4 4 ARG CA C 4 56.420 55.932 0.488 1
1 35 . 2 1 1 A 4 4 ARG CB C 4 30.910 29.496 1.414 1
1 38 . 2 1 1 A 4 4 ARG N N 4 122.770 122.103 0.667 1
1 39 . 2 1 1 A 5 5 GLU H H 5 8.472 7.883 0.589 1
1 40 . 2 1 1 A 5 5 GLU HA H 5 4.201 4.535 -0.334 1
1 45 . 2 1 1 A 5 5 GLU C C 5 176.137 174.368 1.769 1
1 46 . 2 1 1 A 5 5 GLU CA C 5 56.650 55.888 0.762 1
1 47 . 2 1 1 A 5 5 GLU CB C 5 30.400 30.889 -0.489 1
1 49 . 2 1 1 A 5 5 GLU N N 5 121.724 125.172 -3.448 1
1 50 . 2 1 1 A 6 6 LEU H H 6 8.127 8.554 -0.427 1
1 51 . 2 1 1 A 6 6 LEU HA H 6 4.200 4.823 -0.623 1
1 61 . 2 1 1 A 6 6 LEU C C 6 176.782 175.595 1.187 1
1 62 . 2 1 1 A 6 6 LEU CA C 6 55.200 53.407 1.793 1
1 63 . 2 1 1 A 6 6 LEU CB C 6 42.520 43.351 -0.831 1
1 67 . 2 1 1 A 6 6 LEU N N 6 122.169 127.545 -5.376 1
1 68 . 2 1 1 A 7 7 TYR H H 7 7.943 8.913 -0.970 1
1 69 . 2 1 1 A 7 7 TYR HA H 7 4.636 4.669 -0.033 1
1 76 . 2 1 1 A 7 7 TYR C C 7 175.350 175.590 -0.240 1
1 77 . 2 1 1 A 7 7 TYR CA C 7 57.420 57.520 -0.100 1
1 78 . 2 1 1 A 7 7 TYR CB C 7 39.370 37.245 2.125 1
1 81 . 2 1 1 A 7 7 TYR N N 7 119.193 124.856 -5.663 1
1 82 . 2 1 1 A 8 8 GLU H H 8 8.314 8.044 0.270 1
1 83 . 2 1 1 A 8 8 GLU HA H 8 4.314 4.502 -0.188 1
1 88 . 2 1 1 A 8 8 GLU C C 8 175.665 175.782 -0.117 1
1 89 . 2 1 1 A 8 8 GLU CA C 8 55.880 55.571 0.309 1
1 90 . 2 1 1 A 8 8 GLU CB C 8 31.100 30.727 0.373 1
1 92 . 2 1 1 A 8 8 GLU N N 8 121.754 123.327 -1.573 1
1 93 . 2 1 1 A 9 9 ILE H H 9 8.116 8.548 -0.432 1
1 94 . 2 1 1 A 9 9 ILE HA H 9 4.204 4.760 -0.556 1
1 104 . 2 1 1 A 9 9 ILE C C 9 176.058 175.436 0.622 1
1 105 . 2 1 1 A 9 9 ILE CA C 9 60.640 60.876 -0.236 1
1 106 . 2 1 1 A 9 9 ILE CB C 9 38.440 39.609 -1.169 1
1 110 . 2 1 1 A 9 9 ILE N N 9 121.966 120.137 1.829 1
1 111 . 2 1 1 A 10 10 ALA H H 10 8.472 8.681 -0.209 1
1 112 . 2 1 1 A 10 10 ALA HA H 10 4.342 4.670 -0.328 1
1 116 . 2 1 1 A 10 10 ALA C C 10 177.286 176.995 0.291 1
1 117 . 2 1 1 A 10 10 ALA CA C 10 52.450 51.473 0.977 1
1 118 . 2 1 1 A 10 10 ALA CB C 10 19.420 20.742 -1.322 1
1 119 . 2 1 1 A 10 10 ALA N N 10 128.558 128.186 0.372 1
1 120 . 2 1 1 A 11 11 ASP H H 11 8.423 7.670 0.753 1
1 121 . 2 1 1 A 11 11 ASP HA H 11 4.423 4.761 -0.338 1
1 124 . 2 1 1 A 11 11 ASP C C 11 176.798 176.809 -0.011 1
1 125 . 2 1 1 A 11 11 ASP CA C 11 54.780 52.416 2.364 1
1 126 . 2 1 1 A 11 11 ASP CB C 11 40.900 41.856 -0.956 1
1 127 . 2 1 1 A 11 11 ASP N N 11 120.945 118.393 2.552 1
1 128 . 2 1 1 A 12 12 GLY H H 12 8.263 8.749 -0.486 1
1 129 . 2 1 1 A 12 12 GLY HA2 H 12 3.928 3.999 -0.071 1
1 130 . 2 1 1 A 12 12 GLY HA3 H 12 3.765 4.003 -0.238 1
1 131 . 2 1 1 A 12 12 GLY C C 12 174.326 175.348 -1.022 1
1 132 . 2 1 1 A 12 12 GLY CA C 12 45.630 45.392 0.238 1
1 133 . 2 1 1 A 12 12 GLY N N 12 107.572 108.393 -0.821 1
1 134 . 2 1 1 A 13 13 LYS H H 13 7.974 7.991 -0.017 1
1 135 . 2 1 1 A 13 13 LYS HA H 13 4.286 4.523 -0.237 1
1 144 . 2 1 1 A 13 13 LYS C C 13 176.105 177.035 -0.930 1
1 145 . 2 1 1 A 13 13 LYS CA C 13 55.970 55.999 -0.029 1
1 146 . 2 1 1 A 13 13 LYS CB C 13 33.000 32.203 0.797 1
1 150 . 2 1 1 A 13 13 LYS N N 13 120.339 120.057 0.282 1
1 151 . 2 1 1 A 14 14 LEU H H 14 8.103 7.923 0.180 1
1 152 . 2 1 1 A 14 14 LEU HA H 14 4.355 4.177 0.178 1
1 162 . 2 1 1 A 14 14 LEU C C 14 177.050 179.048 -1.998 1
1 163 . 2 1 1 A 14 14 LEU CA C 14 54.990 57.212 -2.222 1
1 164 . 2 1 1 A 14 14 LEU CB C 14 42.180 41.655 0.525 1
1 168 . 2 1 1 A 14 14 LEU N N 14 122.169 120.587 1.582 1
1 169 . 2 1 1 A 15 15 VAL H H 15 8.236 7.671 0.565 1
1 170 . 2 1 1 A 15 15 VAL HA H 15 4.090 3.941 0.149 1
1 178 . 2 1 1 A 15 15 VAL C C 15 175.680 175.772 -0.092 1
1 179 . 2 1 1 A 15 15 VAL CA C 15 62.000 64.347 -2.347 1
1 180 . 2 1 1 A 15 15 VAL CB C 15 33.050 32.117 0.933 1
1 182 . 2 1 1 A 15 15 VAL N N 15 122.264 117.590 4.674 1
1 183 . 2 1 1 A 16 16 ARG H H 16 8.293 7.621 0.672 1
1 184 . 2 1 1 A 16 16 ARG HA H 16 4.187 4.664 -0.477 1
1 191 . 2 1 1 A 16 16 ARG C C 16 175.822 174.127 1.695 1
1 192 . 2 1 1 A 16 16 ARG CA C 16 55.820 55.474 0.346 1
1 193 . 2 1 1 A 16 16 ARG CB C 16 30.820 32.529 -1.709 1
1 196 . 2 1 1 A 16 16 ARG N N 16 124.903 121.255 3.648 1
1 197 . 2 1 1 A 17 17 LYS H H 17 8.239 8.544 -0.305 1
1 198 . 2 1 1 A 17 17 LYS HA H 17 4.130 4.522 -0.392 1
1 207 . 2 1 1 A 17 17 LYS C C 17 175.995 175.593 0.402 1
1 208 . 2 1 1 A 17 17 LYS CA C 17 56.270 55.560 0.710 1
1 209 . 2 1 1 A 17 17 LYS CB C 17 33.130 32.200 0.930 1
1 213 . 2 1 1 A 17 17 LYS N N 17 123.108 126.830 -3.722 1
1 214 . 2 1 1 A 18 18 HIS H H 18 8.067 8.382 -0.315 1
1 215 . 2 1 1 A 18 18 HIS HA H 18 4.572 4.411 0.161 1
1 218 . 2 1 1 A 18 18 HIS C C 18 174.736 174.469 0.267 1
1 219 . 2 1 1 A 18 18 HIS CA C 18 55.460 54.303 1.157 1
1 220 . 2 1 1 A 18 18 HIS CB C 18 31.390 27.343 4.047 1
1 221 . 2 1 1 A 18 18 HIS N N 18 120.275 124.415 -4.140 1
1 222 . 2 1 1 A 19 19 ARG H H 19 8.767 7.809 0.958 1
1 223 . 2 1 1 A 19 19 ARG HA H 19 4.254 4.609 -0.355 1
1 230 . 2 1 1 A 19 19 ARG C C 19 175.790 175.156 0.634 1
1 231 . 2 1 1 A 19 19 ARG CA C 19 55.480 55.003 0.477 1
1 232 . 2 1 1 A 19 19 ARG CB C 19 32.050 30.203 1.847 1
1 235 . 2 1 1 A 19 19 ARG N N 19 122.186 121.087 1.099 1
1 236 . 2 1 1 A 20 20 PHE H H 20 7.866 8.979 -1.113 1
1 237 . 2 1 1 A 20 20 PHE HA H 20 5.296 4.717 0.579 1
1 245 . 2 1 1 A 20 20 PHE C C 20 174.673 175.746 -1.073 1
1 246 . 2 1 1 A 20 20 PHE CA C 20 54.520 58.347 -3.827 1
1 247 . 2 1 1 A 20 20 PHE CB C 20 40.050 39.590 0.460 1
1 251 . 2 1 1 A 20 20 PHE N N 20 120.369 125.200 -4.831 1
1 252 . 2 1 1 A 21 21 CYS H H 21 8.557 8.467 0.090 1
1 253 . 2 1 1 A 21 21 CYS HA H 21 4.062 4.384 -0.322 1
1 256 . 2 1 1 A 21 21 CYS CA C 21 56.880 57.206 -0.326 1
1 257 . 2 1 1 A 21 21 CYS CB C 21 30.710 28.258 2.452 1
1 258 . 2 1 1 A 21 21 CYS N N 21 123.994 120.448 3.546 1
1 259 . 2 1 1 A 22 22 PRO HA H 22 4.211 4.287 -0.076 1
1 266 . 2 1 1 A 22 22 PRO C C 22 177.475 178.750 -1.275 1
1 267 . 2 1 1 A 22 22 PRO CA C 22 64.260 65.621 -1.361 1
1 268 . 2 1 1 A 22 22 PRO CB C 22 31.730 31.705 0.025 1
1 271 . 2 1 1 A 23 23 ARG H H 23 8.569 8.231 0.338 1
1 272 . 2 1 1 A 23 23 ARG HA H 23 4.223 4.118 0.105 1
1 279 . 2 1 1 A 23 23 ARG C C 23 178.246 177.741 0.505 1
1 280 . 2 1 1 A 23 23 ARG CA C 23 58.030 58.753 -0.723 1
1 281 . 2 1 1 A 23 23 ARG CB C 23 31.240 30.818 0.422 1
1 284 . 2 1 1 A 23 23 ARG N N 23 121.075 118.006 3.069 1
1 285 . 2 1 1 A 24 24 CYS H H 24 9.550 8.248 1.302 1
1 286 . 2 1 1 A 24 24 CYS HA H 24 3.872 4.588 -0.716 1
1 289 . 2 1 1 A 24 24 CYS C C 24 177.302 175.770 1.532 1
1 290 . 2 1 1 A 24 24 CYS CA C 24 63.060 59.892 3.168 1
1 291 . 2 1 1 A 24 24 CYS CB C 24 30.120 27.363 2.757 1
1 292 . 2 1 1 A 24 24 CYS N N 24 123.692 117.419 6.273 1
1 293 . 2 1 1 A 25 25 GLY H H 25 8.166 8.315 -0.149 1
1 294 . 2 1 1 A 25 25 GLY HA2 H 25 4.142 3.819 0.323 1
1 295 . 2 1 1 A 25 25 GLY HA3 H 25 3.623 3.922 -0.299 1
1 296 . 2 1 1 A 25 25 GLY CA C 25 44.640 48.128 -3.488 1
1 297 . 2 1 1 A 25 25 GLY N N 25 107.593 109.766 -2.173 1
1 298 . 2 1 1 A 26 26 PRO HA H 26 2.807 4.159 -1.352 1
1 305 . 2 1 1 A 26 26 PRO C C 26 176.940 177.546 -0.606 1
1 306 . 2 1 1 A 26 26 PRO CA C 26 63.060 63.466 -0.406 1
1 307 . 2 1 1 A 26 26 PRO CB C 26 31.650 30.116 1.534 1
1 310 . 2 1 1 A 27 27 GLY H H 27 6.847 8.788 -1.941 1
1 311 . 2 1 1 A 27 27 GLY HA2 H 27 3.800 3.979 -0.179 1
1 312 . 2 1 1 A 27 27 GLY HA3 H 27 3.334 3.992 -0.658 1
1 313 . 2 1 1 A 27 27 GLY C C 27 172.705 173.602 -0.897 1
1 314 . 2 1 1 A 27 27 GLY CA C 27 44.400 45.209 -0.809 1
1 315 . 2 1 1 A 27 27 GLY N N 27 108.726 113.026 -4.300 1
1 316 . 2 1 1 A 28 28 VAL H H 28 7.416 7.895 -0.479 1
1 317 . 2 1 1 A 28 28 VAL HA H 28 3.964 4.543 -0.579 1
1 325 . 2 1 1 A 28 28 VAL C C 28 174.626 175.479 -0.853 1
1 326 . 2 1 1 A 28 28 VAL CA C 28 62.040 61.573 0.467 1
1 327 . 2 1 1 A 28 28 VAL CB C 28 32.080 33.797 -1.717 1
1 330 . 2 1 1 A 28 28 VAL N N 28 123.159 121.796 1.363 1
1 331 . 2 1 1 A 29 29 PHE H H 29 8.484 9.316 -0.832 1
1 332 . 2 1 1 A 29 29 PHE HA H 29 4.905 5.049 -0.144 1
1 340 . 2 1 1 A 29 29 PHE C C 29 177.349 174.765 2.584 1
1 341 . 2 1 1 A 29 29 PHE CA C 29 57.800 56.763 1.037 1
1 342 . 2 1 1 A 29 29 PHE CB C 29 40.050 40.747 -0.697 1
1 346 . 2 1 1 A 29 29 PHE N N 29 124.513 126.217 -1.704 1
1 347 . 2 1 1 A 30 30 LEU H H 30 8.615 8.630 -0.015 1
1 348 . 2 1 1 A 30 30 LEU HA H 30 4.425 4.972 -0.547 1
1 358 . 2 1 1 A 30 30 LEU C C 30 176.877 175.647 1.230 1
1 359 . 2 1 1 A 30 30 LEU CA C 30 54.180 53.769 0.411 1
1 360 . 2 1 1 A 30 30 LEU CB C 30 42.470 44.862 -2.392 1
1 364 . 2 1 1 A 30 30 LEU N N 30 120.729 121.696 -0.967 1
1 365 . 2 1 1 A 31 31 ALA H H 31 9.109 8.536 0.573 1
1 366 . 2 1 1 A 31 31 ALA HA H 31 4.502 4.632 -0.130 1
1 370 . 2 1 1 A 31 31 ALA C C 31 176.231 176.823 -0.592 1
1 371 . 2 1 1 A 31 31 ALA CA C 31 51.170 52.775 -1.605 1
1 372 . 2 1 1 A 31 31 ALA CB C 31 20.140 18.910 1.230 1
1 373 . 2 1 1 A 31 31 ALA N N 31 126.827 129.989 -3.162 1
1 374 . 2 1 1 A 32 32 GLU H H 32 8.580 8.804 -0.224 1
1 375 . 2 1 1 A 32 32 GLU HA H 32 4.172 4.831 -0.659 1
1 380 . 2 1 1 A 32 32 GLU C C 32 174.736 175.434 -0.698 1
1 381 . 2 1 1 A 32 32 GLU CA C 32 56.140 55.531 0.609 1
1 382 . 2 1 1 A 32 32 GLU CB C 32 30.540 31.002 -0.462 1
1 384 . 2 1 1 A 32 32 GLU N N 32 122.632 125.006 -2.374 1
1 385 . 2 1 1 A 33 33 HIS H H 33 8.596 9.103 -0.507 1
1 386 . 2 1 1 A 33 33 HIS HA H 33 4.816 4.913 -0.097 1
1 390 . 2 1 1 A 33 33 HIS CA C 33 53.900 54.600 -0.700 1
1 391 . 2 1 1 A 33 33 HIS CB C 33 33.160 32.479 0.681 1
1 393 . 2 1 1 A 33 33 HIS N N 33 126.719 124.587 2.132 1
1 394 . 2 1 1 A 34 34 ALA HA H 34 4.011 3.901 0.110 1
1 398 . 2 1 1 A 34 34 ALA C C 34 178.514 178.906 -0.392 1
1 399 . 2 1 1 A 34 34 ALA CA C 34 55.850 55.089 0.761 1
1 400 . 2 1 1 A 34 34 ALA CB C 34 18.060 18.412 -0.352 1
1 401 . 2 1 1 A 35 35 ASP H H 35 8.241 7.974 0.267 1
1 402 . 2 1 1 A 35 35 ASP HA H 35 4.737 4.585 0.152 1
1 405 . 2 1 1 A 35 35 ASP C C 35 177.003 176.211 0.792 1
1 406 . 2 1 1 A 35 35 ASP CA C 35 53.040 56.266 -3.226 1
1 407 . 2 1 1 A 35 35 ASP CB C 35 41.840 42.360 -0.520 1
1 408 . 2 1 1 A 35 35 ASP N N 35 108.393 115.322 -6.929 1
1 409 . 2 1 1 A 36 36 ARG H H 36 7.175 7.594 -0.419 1
1 410 . 2 1 1 A 36 36 ARG HA H 36 4.940 4.457 0.483 1
1 417 . 2 1 1 A 36 36 ARG C C 36 171.430 173.440 -2.010 1
1 418 . 2 1 1 A 36 36 ARG CA C 36 54.670 54.805 -0.135 1
1 419 . 2 1 1 A 36 36 ARG CB C 36 31.550 32.072 -0.522 1
1 422 . 2 1 1 A 36 36 ARG N N 36 116.403 113.489 2.914 1
1 423 . 2 1 1 A 37 37 TYR H H 37 9.025 9.114 -0.089 1
1 424 . 2 1 1 A 37 37 TYR HA H 37 5.546 5.578 -0.032 1
1 431 . 2 1 1 A 37 37 TYR C C 37 176.027 175.333 0.694 1
1 432 . 2 1 1 A 37 37 TYR CA C 37 56.400 57.216 -0.816 1
1 433 . 2 1 1 A 37 37 TYR CB C 37 41.830 41.327 0.503 1
1 436 . 2 1 1 A 37 37 TYR N N 37 118.099 118.785 -0.686 1
1 437 . 2 1 1 A 38 38 SER H H 38 9.208 9.073 0.135 1
1 438 . 2 1 1 A 38 38 SER HA H 38 5.675 5.229 0.446 1
1 441 . 2 1 1 A 38 38 SER C C 38 172.862 172.310 0.552 1
1 442 . 2 1 1 A 38 38 SER CA C 38 57.200 56.657 0.543 1
1 443 . 2 1 1 A 38 38 SER CB C 38 67.430 64.721 2.709 1
1 444 . 2 1 1 A 38 38 SER N N 38 114.608 115.625 -1.017 1
1 445 . 2 1 1 A 39 39 CYS H H 39 9.403 8.808 0.595 1
1 446 . 2 1 1 A 39 39 CYS HA H 39 4.781 4.788 -0.007 1
1 449 . 2 1 1 A 39 39 CYS C C 39 177.931 173.417 4.514 1
1 450 . 2 1 1 A 39 39 CYS CA C 39 58.680 58.006 0.674 1
1 451 . 2 1 1 A 39 39 CYS CB C 39 32.710 28.525 4.185 1
1 452 . 2 1 1 A 39 39 CYS N N 39 127.346 121.946 5.400 1
1 453 . 2 1 1 A 40 40 GLY H H 40 9.147 8.779 0.368 1
1 454 . 2 1 1 A 40 40 GLY HA2 H 40 4.053 3.944 0.109 1
1 455 . 2 1 1 A 40 40 GLY HA3 H 40 3.875 3.950 -0.075 1
1 456 . 2 1 1 A 40 40 GLY C C 40 173.602 174.097 -0.495 1
1 457 . 2 1 1 A 40 40 GLY CA C 40 46.270 47.054 -0.784 1
1 458 . 2 1 1 A 40 40 GLY N N 40 119.366 114.670 4.696 1
1 459 . 2 1 1 A 41 41 ARG H H 41 9.279 8.458 0.821 1
1 460 . 2 1 1 A 41 41 ARG HA H 41 4.362 4.582 -0.220 1
1 467 . 2 1 1 A 41 41 ARG C C 41 177.601 176.906 0.695 1
1 468 . 2 1 1 A 41 41 ARG CA C 41 58.200 57.311 0.889 1
1 469 . 2 1 1 A 41 41 ARG CB C 41 30.980 32.498 -1.518 1
1 472 . 2 1 1 A 41 41 ARG N N 41 123.467 123.626 -0.159 1
1 473 . 2 1 1 A 42 42 CYS H H 42 8.759 8.019 0.740 1
1 474 . 2 1 1 A 42 42 CYS HA H 42 4.944 4.643 0.301 1
1 477 . 2 1 1 A 42 42 CYS C C 42 177.160 176.179 0.981 1
1 478 . 2 1 1 A 42 42 CYS CA C 42 58.390 58.594 -0.204 1
1 479 . 2 1 1 A 42 42 CYS CB C 42 33.600 29.287 4.313 1
1 480 . 2 1 1 A 42 42 CYS N N 42 118.328 115.797 2.531 1
1 481 . 2 1 1 A 43 43 GLY H H 43 7.686 8.032 -0.346 1
1 482 . 2 1 1 A 43 43 GLY HA2 H 43 4.251 3.876 0.375 1
1 483 . 2 1 1 A 43 43 GLY HA3 H 43 3.782 3.879 -0.097 1
1 484 . 2 1 1 A 43 43 GLY C C 43 174.122 174.042 0.080 1
1 485 . 2 1 1 A 43 43 GLY CA C 43 46.100 45.968 0.132 1
1 486 . 2 1 1 A 43 43 GLY N N 43 112.843 111.003 1.840 1
1 487 . 2 1 1 A 44 44 TYR H H 44 9.285 8.119 1.166 1
1 488 . 2 1 1 A 44 44 TYR HA H 44 4.109 4.442 -0.333 1
1 495 . 2 1 1 A 44 44 TYR C C 44 174.248 174.911 -0.663 1
1 496 . 2 1 1 A 44 44 TYR CA C 44 60.680 57.282 3.398 1
1 497 . 2 1 1 A 44 44 TYR CB C 44 39.840 38.444 1.396 1
1 500 . 2 1 1 A 44 44 TYR N N 44 127.411 121.716 5.695 1
1 501 . 2 1 1 A 45 45 THR H H 45 7.572 8.826 -1.254 1
1 502 . 2 1 1 A 45 45 THR HA H 45 4.763 5.050 -0.287 1
1 507 . 2 1 1 A 45 45 THR C C 45 171.635 172.632 -0.997 1
1 508 . 2 1 1 A 45 45 THR CA C 45 60.820 61.299 -0.479 1
1 509 . 2 1 1 A 45 45 THR CB C 45 72.660 70.837 1.823 1
1 511 . 2 1 1 A 45 45 THR N N 45 122.481 124.033 -1.552 1
1 512 . 2 1 1 A 46 46 GLU H H 46 8.456 8.803 -0.347 1
1 513 . 2 1 1 A 46 46 GLU HA H 46 4.430 4.808 -0.378 1
1 518 . 2 1 1 A 46 46 GLU C C 46 175.240 175.319 -0.079 1
1 519 . 2 1 1 A 46 46 GLU CA C 46 54.100 54.649 -0.549 1
1 520 . 2 1 1 A 46 46 GLU CB C 46 33.180 33.479 -0.299 1
1 522 . 2 1 1 A 46 46 GLU N N 46 124.924 127.482 -2.558 1
1 523 . 2 1 1 A 47 47 PHE H H 47 9.084 8.848 0.236 1
1 524 . 2 1 1 A 47 47 PHE HA H 47 4.417 4.593 -0.176 1
1 529 . 2 1 1 A 47 47 PHE C C 47 176.987 175.819 1.168 1
1 530 . 2 1 1 A 47 47 PHE CA C 47 59.920 58.508 1.412 1
1 531 . 2 1 1 A 47 47 PHE CB C 47 39.420 39.436 -0.016 1
1 533 . 2 1 1 A 47 47 PHE N N 47 125.357 124.913 0.444 1
1 534 . 2 1 1 A 48 48 LYS H H 48 8.082 8.107 -0.025 1
1 535 . 2 1 1 A 48 48 LYS HA H 48 4.233 4.211 0.022 1
1 544 . 2 1 1 A 48 48 LYS C C 48 176.278 176.104 0.174 1
1 545 . 2 1 1 A 48 48 LYS CA C 48 57.670 56.712 0.958 1
1 546 . 2 1 1 A 48 48 LYS CB C 48 33.900 31.765 2.135 1
1 550 . 2 1 1 A 48 48 LYS N N 48 122.654 121.784 0.870 1
1 551 . 2 1 1 A 49 49 LYS H H 49 8.475 8.506 -0.031 1
1 552 . 2 1 1 A 49 49 LYS HA H 49 4.299 4.665 -0.366 1
1 561 . 2 1 1 A 49 49 LYS C C 49 175.979 175.591 0.388 1
1 562 . 2 1 1 A 49 49 LYS CA C 49 56.100 55.220 0.880 1
1 563 . 2 1 1 A 49 49 LYS CB C 49 33.090 33.505 -0.415 1
1 567 . 2 1 1 A 49 49 LYS N N 49 121.521 127.687 -6.166 1
1 568 . 2 1 1 A 50 50 ALA H H 50 8.250 7.515 0.735 1
1 569 . 2 1 1 A 50 50 ALA HA H 50 4.264 4.357 -0.093 1
1 573 . 2 1 1 A 50 50 ALA C C 50 177.617 177.264 0.353 1
1 574 . 2 1 1 A 50 50 ALA CA C 50 52.490 52.578 -0.088 1
1 575 . 2 1 1 A 50 50 ALA CB C 50 19.420 19.598 -0.178 1
1 576 . 2 1 1 A 50 50 ALA N N 50 125.681 123.475 2.206 1
1 577 . 2 1 1 A 51 51 LYS H H 51 8.279 8.610 -0.331 1
1 578 . 2 1 1 A 51 51 LYS HA H 51 4.296 4.772 -0.476 1
1 585 . 2 1 1 A 51 51 LYS C C 51 176.562 175.630 0.932 1
1 586 . 2 1 1 A 51 51 LYS CA C 51 56.300 54.587 1.713 1
1 587 . 2 1 1 A 51 51 LYS CB C 51 33.090 34.473 -1.383 1
1 591 . 2 1 1 A 51 51 LYS N N 51 121.304 122.424 -1.120 1
1 592 . 2 1 1 A 52 52 LYS H H 52 8.312 8.617 -0.305 1
1 593 . 2 1 1 A 52 52 LYS HA H 52 4.298 4.399 -0.101 1
1 598 . 2 1 1 A 52 52 LYS C C 52 176.530 176.225 0.305 1
1 599 . 2 1 1 A 52 52 LYS CA C 52 56.140 55.880 0.260 1
1 600 . 2 1 1 A 52 52 LYS CB C 52 33.180 33.572 -0.392 1
1 603 . 2 1 1 A 52 52 LYS N N 52 123.129 122.873 0.256 1
1 604 . 2 1 1 A 53 53 SER H H 53 8.309 8.528 -0.219 1
1 605 . 2 1 1 A 53 53 SER HA H 53 4.399 4.381 0.018 1
1 608 . 2 1 1 A 53 53 SER C C 53 174.531 174.502 0.029 1
1 609 . 2 1 1 A 53 53 SER CA C 53 58.140 58.761 -0.621 1
1 610 . 2 1 1 A 53 53 SER CB C 53 63.780 63.608 0.172 1
1 611 . 2 1 1 A 53 53 SER N N 53 117.625 119.690 -2.065 1
1 612 . 2 1 1 A 54 54 LYS H H 54 8.409 8.294 0.115 1
1 613 . 2 1 1 A 54 54 LYS HA H 54 4.338 4.435 -0.097 1
1 618 . 2 1 1 A 54 54 LYS CA C 54 56.650 56.178 0.472 1
1 619 . 2 1 1 A 54 54 LYS CB C 54 32.920 33.228 -0.308 1
1 621 . 2 1 1 A 54 54 LYS N N 54 123.196 123.173 0.023 1
1 16 . 3 1 1 A 2 2 GLN H H 2 8.326 8.584 -0.258 1
1 17 . 3 1 1 A 2 2 GLN HA H 2 4.252 4.528 -0.276 1
1 18 . 3 1 1 A 2 2 GLN CA C 2 55.970 55.790 0.180 1
1 19 . 3 1 1 A 2 2 GLN CB C 2 29.990 29.044 0.946 1
1 20 . 3 1 1 A 2 2 GLN N N 2 123.332 124.690 -1.358 1
1 21 . 3 1 1 A 3 3 LYS HA H 3 4.229 4.812 -0.583 1
1 22 . 3 1 1 A 3 3 LYS C C 3 176.404 176.174 0.230 1
1 23 . 3 1 1 A 3 3 LYS CA C 3 56.570 54.579 1.991 1
1 24 . 3 1 1 A 3 3 LYS CB C 3 32.880 35.260 -2.380 1
1 25 . 3 1 1 A 4 4 ARG H H 4 8.303 8.785 -0.482 1
1 26 . 3 1 1 A 4 4 ARG HA H 4 4.237 4.333 -0.096 1
1 33 . 3 1 1 A 4 4 ARG C C 4 176.656 176.298 0.358 1
1 34 . 3 1 1 A 4 4 ARG CA C 4 56.420 58.055 -1.635 1
1 35 . 3 1 1 A 4 4 ARG CB C 4 30.910 30.727 0.183 1
1 38 . 3 1 1 A 4 4 ARG N N 4 122.770 126.810 -4.040 1
1 39 . 3 1 1 A 5 5 GLU H H 5 8.472 7.709 0.763 1
1 40 . 3 1 1 A 5 5 GLU HA H 5 4.201 4.564 -0.363 1
1 45 . 3 1 1 A 5 5 GLU C C 5 176.137 174.598 1.539 1
1 46 . 3 1 1 A 5 5 GLU CA C 5 56.650 54.800 1.850 1
1 47 . 3 1 1 A 5 5 GLU CB C 5 30.400 29.817 0.583 1
1 49 . 3 1 1 A 5 5 GLU N N 5 121.724 119.193 2.531 1
1 50 . 3 1 1 A 6 6 LEU H H 6 8.127 8.536 -0.409 1
1 51 . 3 1 1 A 6 6 LEU HA H 6 4.200 4.462 -0.262 1
1 61 . 3 1 1 A 6 6 LEU C C 6 176.782 176.788 -0.006 1
1 62 . 3 1 1 A 6 6 LEU CA C 6 55.200 54.307 0.893 1
1 63 . 3 1 1 A 6 6 LEU CB C 6 42.520 41.430 1.090 1
1 67 . 3 1 1 A 6 6 LEU N N 6 122.169 127.170 -5.001 1
1 68 . 3 1 1 A 7 7 TYR H H 7 7.943 8.285 -0.342 1
1 69 . 3 1 1 A 7 7 TYR HA H 7 4.636 4.336 0.300 1
1 76 . 3 1 1 A 7 7 TYR C C 7 175.350 173.919 1.431 1
1 77 . 3 1 1 A 7 7 TYR CA C 7 57.420 60.202 -2.782 1
1 78 . 3 1 1 A 7 7 TYR CB C 7 39.370 37.189 2.181 1
1 81 . 3 1 1 A 7 7 TYR N N 7 119.193 120.469 -1.276 1
1 82 . 3 1 1 A 8 8 GLU H H 8 8.314 8.951 -0.637 1
1 83 . 3 1 1 A 8 8 GLU HA H 8 4.314 4.915 -0.601 1
1 88 . 3 1 1 A 8 8 GLU C C 8 175.665 176.615 -0.950 1
1 89 . 3 1 1 A 8 8 GLU CA C 8 55.880 55.535 0.345 1
1 90 . 3 1 1 A 8 8 GLU CB C 8 31.100 30.930 0.170 1
1 92 . 3 1 1 A 8 8 GLU N N 8 121.754 121.356 0.398 1
1 93 . 3 1 1 A 9 9 ILE H H 9 8.116 8.423 -0.307 1
1 94 . 3 1 1 A 9 9 ILE HA H 9 4.204 4.184 0.020 1
1 104 . 3 1 1 A 9 9 ILE C C 9 176.058 175.801 0.257 1
1 105 . 3 1 1 A 9 9 ILE CA C 9 60.640 61.220 -0.580 1
1 106 . 3 1 1 A 9 9 ILE CB C 9 38.440 38.651 -0.211 1
1 110 . 3 1 1 A 9 9 ILE N N 9 121.966 122.855 -0.889 1
1 111 . 3 1 1 A 10 10 ALA H H 10 8.472 8.470 0.002 1
1 112 . 3 1 1 A 10 10 ALA HA H 10 4.342 4.458 -0.116 1
1 116 . 3 1 1 A 10 10 ALA C C 10 177.286 176.945 0.341 1
1 117 . 3 1 1 A 10 10 ALA CA C 10 52.450 52.288 0.162 1
1 118 . 3 1 1 A 10 10 ALA CB C 10 19.420 19.277 0.143 1
1 119 . 3 1 1 A 10 10 ALA N N 10 128.558 127.714 0.844 1
1 120 . 3 1 1 A 11 11 ASP H H 11 8.423 8.863 -0.440 1
1 121 . 3 1 1 A 11 11 ASP HA H 11 4.423 5.205 -0.782 1
1 124 . 3 1 1 A 11 11 ASP C C 11 176.798 175.343 1.455 1
1 125 . 3 1 1 A 11 11 ASP CA C 11 54.780 53.191 1.589 1
1 126 . 3 1 1 A 11 11 ASP CB C 11 40.900 44.828 -3.928 1
1 127 . 3 1 1 A 11 11 ASP N N 11 120.945 121.949 -1.004 1
1 128 . 3 1 1 A 12 12 GLY H H 12 8.263 8.615 -0.352 1
1 129 . 3 1 1 A 12 12 GLY HA2 H 12 3.928 3.954 -0.026 1
1 130 . 3 1 1 A 12 12 GLY HA3 H 12 3.765 3.965 -0.200 1
1 131 . 3 1 1 A 12 12 GLY C C 12 174.326 174.653 -0.327 1
1 132 . 3 1 1 A 12 12 GLY CA C 12 45.630 45.697 -0.067 1
1 133 . 3 1 1 A 12 12 GLY N N 12 107.572 112.897 -5.325 1
1 134 . 3 1 1 A 13 13 LYS H H 13 7.974 7.958 0.016 1
1 135 . 3 1 1 A 13 13 LYS HA H 13 4.286 4.370 -0.084 1
1 144 . 3 1 1 A 13 13 LYS C C 13 176.105 175.711 0.394 1
1 145 . 3 1 1 A 13 13 LYS CA C 13 55.970 56.131 -0.161 1
1 146 . 3 1 1 A 13 13 LYS CB C 13 33.000 33.217 -0.217 1
1 150 . 3 1 1 A 13 13 LYS N N 13 120.339 117.602 2.737 1
1 151 . 3 1 1 A 14 14 LEU H H 14 8.103 8.667 -0.564 1
1 152 . 3 1 1 A 14 14 LEU HA H 14 4.355 4.918 -0.563 1
1 162 . 3 1 1 A 14 14 LEU C C 14 177.050 177.811 -0.761 1
1 163 . 3 1 1 A 14 14 LEU CA C 14 54.990 53.270 1.720 1
1 164 . 3 1 1 A 14 14 LEU CB C 14 42.180 44.634 -2.454 1
1 168 . 3 1 1 A 14 14 LEU N N 14 122.169 122.833 -0.664 1
1 169 . 3 1 1 A 15 15 VAL H H 15 8.236 8.383 -0.147 1
1 170 . 3 1 1 A 15 15 VAL HA H 15 4.090 4.106 -0.016 1
1 178 . 3 1 1 A 15 15 VAL C C 15 175.680 175.925 -0.245 1
1 179 . 3 1 1 A 15 15 VAL CA C 15 62.000 63.302 -1.302 1
1 180 . 3 1 1 A 15 15 VAL CB C 15 33.050 31.795 1.255 1
1 182 . 3 1 1 A 15 15 VAL N N 15 122.264 119.981 2.283 1
1 183 . 3 1 1 A 16 16 ARG H H 16 8.293 7.684 0.609 1
1 184 . 3 1 1 A 16 16 ARG HA H 16 4.187 4.225 -0.038 1
1 191 . 3 1 1 A 16 16 ARG C C 16 175.822 175.800 0.022 1
1 192 . 3 1 1 A 16 16 ARG CA C 16 55.820 56.093 -0.273 1
1 193 . 3 1 1 A 16 16 ARG CB C 16 30.820 30.826 -0.006 1
1 196 . 3 1 1 A 16 16 ARG N N 16 124.903 124.161 0.742 1
1 197 . 3 1 1 A 17 17 LYS H H 17 8.239 8.452 -0.213 1
1 198 . 3 1 1 A 17 17 LYS HA H 17 4.130 4.345 -0.215 1
1 207 . 3 1 1 A 17 17 LYS C C 17 175.995 175.085 0.910 1
1 208 . 3 1 1 A 17 17 LYS CA C 17 56.270 56.966 -0.696 1
1 209 . 3 1 1 A 17 17 LYS CB C 17 33.130 32.703 0.427 1
1 213 . 3 1 1 A 17 17 LYS N N 17 123.108 128.542 -5.434 1
1 214 . 3 1 1 A 18 18 HIS H H 18 8.067 8.940 -0.873 1
1 215 . 3 1 1 A 18 18 HIS HA H 18 4.572 5.280 -0.708 1
1 218 . 3 1 1 A 18 18 HIS C C 18 174.736 174.314 0.422 1
1 219 . 3 1 1 A 18 18 HIS CA C 18 55.460 54.340 1.120 1
1 220 . 3 1 1 A 18 18 HIS CB C 18 31.390 34.036 -2.646 1
1 221 . 3 1 1 A 18 18 HIS N N 18 120.275 125.268 -4.993 1
1 222 . 3 1 1 A 19 19 ARG H H 19 8.767 8.520 0.247 1
1 223 . 3 1 1 A 19 19 ARG HA H 19 4.254 5.014 -0.760 1
1 230 . 3 1 1 A 19 19 ARG C C 19 175.790 174.750 1.040 1
1 231 . 3 1 1 A 19 19 ARG CA C 19 55.480 54.209 1.271 1
1 232 . 3 1 1 A 19 19 ARG CB C 19 32.050 33.548 -1.498 1
1 235 . 3 1 1 A 19 19 ARG N N 19 122.186 119.696 2.490 1
1 236 . 3 1 1 A 20 20 PHE H H 20 7.866 9.143 -1.277 1
1 237 . 3 1 1 A 20 20 PHE HA H 20 5.296 5.085 0.211 1
1 245 . 3 1 1 A 20 20 PHE C C 20 174.673 174.983 -0.310 1
1 246 . 3 1 1 A 20 20 PHE CA C 20 54.520 56.120 -1.600 1
1 247 . 3 1 1 A 20 20 PHE CB C 20 40.050 41.872 -1.822 1
1 251 . 3 1 1 A 20 20 PHE N N 20 120.369 119.655 0.714 1
1 252 . 3 1 1 A 21 21 CYS H H 21 8.557 8.498 0.059 1
1 253 . 3 1 1 A 21 21 CYS HA H 21 4.062 4.347 -0.285 1
1 256 . 3 1 1 A 21 21 CYS CA C 21 56.880 57.167 -0.287 1
1 257 . 3 1 1 A 21 21 CYS CB C 21 30.710 28.499 2.211 1
1 258 . 3 1 1 A 21 21 CYS N N 21 123.994 122.392 1.602 1
1 259 . 3 1 1 A 22 22 PRO HA H 22 4.211 4.268 -0.057 1
1 266 . 3 1 1 A 22 22 PRO C C 22 177.475 178.414 -0.939 1
1 267 . 3 1 1 A 22 22 PRO CA C 22 64.260 65.528 -1.268 1
1 268 . 3 1 1 A 22 22 PRO CB C 22 31.730 31.812 -0.082 1
1 271 . 3 1 1 A 23 23 ARG H H 23 8.569 8.227 0.342 1
1 272 . 3 1 1 A 23 23 ARG HA H 23 4.223 4.234 -0.011 1
1 279 . 3 1 1 A 23 23 ARG C C 23 178.246 177.917 0.329 1
1 280 . 3 1 1 A 23 23 ARG CA C 23 58.030 58.392 -0.362 1
1 281 . 3 1 1 A 23 23 ARG CB C 23 31.240 31.268 -0.028 1
1 284 . 3 1 1 A 23 23 ARG N N 23 121.075 117.698 3.377 1
1 285 . 3 1 1 A 24 24 CYS H H 24 9.550 8.238 1.312 1
1 286 . 3 1 1 A 24 24 CYS HA H 24 3.872 4.519 -0.647 1
1 289 . 3 1 1 A 24 24 CYS C C 24 177.302 176.099 1.203 1
1 290 . 3 1 1 A 24 24 CYS CA C 24 63.060 60.468 2.592 1
1 291 . 3 1 1 A 24 24 CYS CB C 24 30.120 26.932 3.188 1
1 292 . 3 1 1 A 24 24 CYS N N 24 123.692 117.501 6.191 1
1 293 . 3 1 1 A 25 25 GLY H H 25 8.166 8.310 -0.144 1
1 294 . 3 1 1 A 25 25 GLY HA2 H 25 4.142 3.874 0.268 1
1 295 . 3 1 1 A 25 25 GLY HA3 H 25 3.623 4.018 -0.395 1
1 296 . 3 1 1 A 25 25 GLY CA C 25 44.640 48.187 -3.547 1
1 297 . 3 1 1 A 25 25 GLY N N 25 107.593 109.956 -2.363 1
1 298 . 3 1 1 A 26 26 PRO HA H 26 2.807 4.236 -1.429 1
1 305 . 3 1 1 A 26 26 PRO C C 26 176.940 177.593 -0.653 1
1 306 . 3 1 1 A 26 26 PRO CA C 26 63.060 63.512 -0.452 1
1 307 . 3 1 1 A 26 26 PRO CB C 26 31.650 30.173 1.477 1
1 310 . 3 1 1 A 27 27 GLY H H 27 6.847 8.885 -2.038 1
1 311 . 3 1 1 A 27 27 GLY HA2 H 27 3.800 3.995 -0.195 1
1 312 . 3 1 1 A 27 27 GLY HA3 H 27 3.334 4.029 -0.695 1
1 313 . 3 1 1 A 27 27 GLY C C 27 172.705 173.852 -1.147 1
1 314 . 3 1 1 A 27 27 GLY CA C 27 44.400 45.270 -0.870 1
1 315 . 3 1 1 A 27 27 GLY N N 27 108.726 113.094 -4.368 1
1 316 . 3 1 1 A 28 28 VAL H H 28 7.416 7.948 -0.532 1
1 317 . 3 1 1 A 28 28 VAL HA H 28 3.964 4.234 -0.270 1
1 325 . 3 1 1 A 28 28 VAL C C 28 174.626 175.206 -0.580 1
1 326 . 3 1 1 A 28 28 VAL CA C 28 62.040 61.611 0.429 1
1 327 . 3 1 1 A 28 28 VAL CB C 28 32.080 33.236 -1.156 1
1 330 . 3 1 1 A 28 28 VAL N N 28 123.159 122.005 1.154 1
1 331 . 3 1 1 A 29 29 PHE H H 29 8.484 8.936 -0.452 1
1 332 . 3 1 1 A 29 29 PHE HA H 29 4.905 4.662 0.243 1
1 340 . 3 1 1 A 29 29 PHE C C 29 177.349 174.955 2.394 1
1 341 . 3 1 1 A 29 29 PHE CA C 29 57.800 56.432 1.368 1
1 342 . 3 1 1 A 29 29 PHE CB C 29 40.050 40.403 -0.353 1
1 346 . 3 1 1 A 29 29 PHE N N 29 124.513 126.357 -1.844 1
1 347 . 3 1 1 A 30 30 LEU H H 30 8.615 8.367 0.248 1
1 348 . 3 1 1 A 30 30 LEU HA H 30 4.425 4.838 -0.413 1
1 358 . 3 1 1 A 30 30 LEU C C 30 176.877 175.379 1.498 1
1 359 . 3 1 1 A 30 30 LEU CA C 30 54.180 54.055 0.125 1
1 360 . 3 1 1 A 30 30 LEU CB C 30 42.470 43.668 -1.198 1
1 364 . 3 1 1 A 30 30 LEU N N 30 120.729 122.433 -1.704 1
1 365 . 3 1 1 A 31 31 ALA H H 31 9.109 8.531 0.578 1
1 366 . 3 1 1 A 31 31 ALA HA H 31 4.502 4.621 -0.119 1
1 370 . 3 1 1 A 31 31 ALA C C 31 176.231 177.080 -0.849 1
1 371 . 3 1 1 A 31 31 ALA CA C 31 51.170 53.183 -2.013 1
1 372 . 3 1 1 A 31 31 ALA CB C 31 20.140 19.176 0.964 1
1 373 . 3 1 1 A 31 31 ALA N N 31 126.827 130.071 -3.244 1
1 374 . 3 1 1 A 32 32 GLU H H 32 8.580 8.997 -0.417 1
1 375 . 3 1 1 A 32 32 GLU HA H 32 4.172 4.712 -0.540 1
1 380 . 3 1 1 A 32 32 GLU C C 32 174.736 175.213 -0.477 1
1 381 . 3 1 1 A 32 32 GLU CA C 32 56.140 55.673 0.467 1
1 382 . 3 1 1 A 32 32 GLU CB C 32 30.540 30.564 -0.024 1
1 384 . 3 1 1 A 32 32 GLU N N 32 122.632 125.819 -3.187 1
1 385 . 3 1 1 A 33 33 HIS H H 33 8.596 8.938 -0.342 1
1 386 . 3 1 1 A 33 33 HIS HA H 33 4.816 4.798 0.018 1
1 390 . 3 1 1 A 33 33 HIS CA C 33 53.900 54.904 -1.004 1
1 391 . 3 1 1 A 33 33 HIS CB C 33 33.160 33.500 -0.340 1
1 393 . 3 1 1 A 33 33 HIS N N 33 126.719 123.871 2.848 1
1 394 . 3 1 1 A 34 34 ALA HA H 34 4.011 3.890 0.121 1
1 398 . 3 1 1 A 34 34 ALA C C 34 178.514 179.358 -0.844 1
1 399 . 3 1 1 A 34 34 ALA CA C 34 55.850 54.868 0.982 1
1 400 . 3 1 1 A 34 34 ALA CB C 34 18.060 18.473 -0.413 1
1 401 . 3 1 1 A 35 35 ASP H H 35 8.241 7.953 0.288 1
1 402 . 3 1 1 A 35 35 ASP HA H 35 4.737 4.555 0.182 1
1 405 . 3 1 1 A 35 35 ASP C C 35 177.003 176.453 0.550 1
1 406 . 3 1 1 A 35 35 ASP CA C 35 53.040 56.564 -3.524 1
1 407 . 3 1 1 A 35 35 ASP CB C 35 41.840 41.722 0.118 1
1 408 . 3 1 1 A 35 35 ASP N N 35 108.393 115.678 -7.285 1
1 409 . 3 1 1 A 36 36 ARG H H 36 7.175 7.560 -0.385 1
1 410 . 3 1 1 A 36 36 ARG HA H 36 4.940 4.468 0.472 1
1 417 . 3 1 1 A 36 36 ARG C C 36 171.430 173.301 -1.871 1
1 418 . 3 1 1 A 36 36 ARG CA C 36 54.670 54.916 -0.246 1
1 419 . 3 1 1 A 36 36 ARG CB C 36 31.550 31.968 -0.418 1
1 422 . 3 1 1 A 36 36 ARG N N 36 116.403 113.387 3.016 1
1 423 . 3 1 1 A 37 37 TYR H H 37 9.025 9.251 -0.226 1
1 424 . 3 1 1 A 37 37 TYR HA H 37 5.546 5.662 -0.116 1
1 431 . 3 1 1 A 37 37 TYR C C 37 176.027 175.233 0.794 1
1 432 . 3 1 1 A 37 37 TYR CA C 37 56.400 57.166 -0.766 1
1 433 . 3 1 1 A 37 37 TYR CB C 37 41.830 41.250 0.580 1
1 436 . 3 1 1 A 37 37 TYR N N 37 118.099 118.760 -0.661 1
1 437 . 3 1 1 A 38 38 SER H H 38 9.208 9.032 0.176 1
1 438 . 3 1 1 A 38 38 SER HA H 38 5.675 5.116 0.559 1
1 441 . 3 1 1 A 38 38 SER C C 38 172.862 172.324 0.538 1
1 442 . 3 1 1 A 38 38 SER CA C 38 57.200 56.622 0.578 1
1 443 . 3 1 1 A 38 38 SER CB C 38 67.430 64.862 2.568 1
1 444 . 3 1 1 A 38 38 SER N N 38 114.608 115.616 -1.008 1
1 445 . 3 1 1 A 39 39 CYS H H 39 9.403 8.381 1.022 1
1 446 . 3 1 1 A 39 39 CYS HA H 39 4.781 5.130 -0.349 1
1 449 . 3 1 1 A 39 39 CYS C C 39 177.931 174.504 3.427 1
1 450 . 3 1 1 A 39 39 CYS CA C 39 58.680 57.364 1.316 1
1 451 . 3 1 1 A 39 39 CYS CB C 39 32.710 30.938 1.772 1
1 452 . 3 1 1 A 39 39 CYS N N 39 127.346 122.058 5.288 1
1 453 . 3 1 1 A 40 40 GLY H H 40 9.147 8.542 0.605 1
1 454 . 3 1 1 A 40 40 GLY HA2 H 40 4.053 3.929 0.124 1
1 455 . 3 1 1 A 40 40 GLY HA3 H 40 3.875 3.957 -0.082 1
1 456 . 3 1 1 A 40 40 GLY C C 40 173.602 175.096 -1.494 1
1 457 . 3 1 1 A 40 40 GLY CA C 40 46.270 45.481 0.789 1
1 458 . 3 1 1 A 40 40 GLY N N 40 119.366 114.576 4.790 1
1 459 . 3 1 1 A 41 41 ARG H H 41 9.279 8.775 0.504 1
1 460 . 3 1 1 A 41 41 ARG HA H 41 4.362 3.871 0.491 1
1 467 . 3 1 1 A 41 41 ARG C C 41 177.601 176.000 1.601 1
1 468 . 3 1 1 A 41 41 ARG CA C 41 58.200 58.483 -0.283 1
1 469 . 3 1 1 A 41 41 ARG CB C 41 30.980 28.090 2.890 1
1 472 . 3 1 1 A 41 41 ARG N N 41 123.467 116.957 6.510 1
1 473 . 3 1 1 A 42 42 CYS H H 42 8.759 7.872 0.887 1
1 474 . 3 1 1 A 42 42 CYS HA H 42 4.944 4.603 0.341 1
1 477 . 3 1 1 A 42 42 CYS C C 42 177.160 176.064 1.096 1
1 478 . 3 1 1 A 42 42 CYS CA C 42 58.390 58.464 -0.074 1
1 479 . 3 1 1 A 42 42 CYS CB C 42 33.600 28.961 4.639 1
1 480 . 3 1 1 A 42 42 CYS N N 42 118.328 114.822 3.506 1
1 481 . 3 1 1 A 43 43 GLY H H 43 7.686 8.004 -0.318 1
1 482 . 3 1 1 A 43 43 GLY HA2 H 43 4.251 3.919 0.332 1
1 483 . 3 1 1 A 43 43 GLY HA3 H 43 3.782 3.925 -0.143 1
1 484 . 3 1 1 A 43 43 GLY C C 43 174.122 174.112 0.010 1
1 485 . 3 1 1 A 43 43 GLY CA C 43 46.100 46.283 -0.183 1
1 486 . 3 1 1 A 43 43 GLY N N 43 112.843 110.631 2.212 1
1 487 . 3 1 1 A 44 44 TYR H H 44 9.285 7.681 1.604 1
1 488 . 3 1 1 A 44 44 TYR HA H 44 4.109 4.342 -0.233 1
1 495 . 3 1 1 A 44 44 TYR C C 44 174.248 174.842 -0.594 1
1 496 . 3 1 1 A 44 44 TYR CA C 44 60.680 58.402 2.278 1
1 497 . 3 1 1 A 44 44 TYR CB C 44 39.840 38.573 1.267 1
1 500 . 3 1 1 A 44 44 TYR N N 44 127.411 121.697 5.714 1
1 501 . 3 1 1 A 45 45 THR H H 45 7.572 8.514 -0.942 1
1 502 . 3 1 1 A 45 45 THR HA H 45 4.763 4.893 -0.130 1
1 507 . 3 1 1 A 45 45 THR C C 45 171.635 173.073 -1.438 1
1 508 . 3 1 1 A 45 45 THR CA C 45 60.820 60.666 0.154 1
1 509 . 3 1 1 A 45 45 THR CB C 45 72.660 71.292 1.368 1
1 511 . 3 1 1 A 45 45 THR N N 45 122.481 124.132 -1.651 1
1 512 . 3 1 1 A 46 46 GLU H H 46 8.456 8.730 -0.274 1
1 513 . 3 1 1 A 46 46 GLU HA H 46 4.430 4.590 -0.160 1
1 518 . 3 1 1 A 46 46 GLU C C 46 175.240 175.569 -0.329 1
1 519 . 3 1 1 A 46 46 GLU CA C 46 54.100 55.343 -1.243 1
1 520 . 3 1 1 A 46 46 GLU CB C 46 33.180 33.300 -0.120 1
1 522 . 3 1 1 A 46 46 GLU N N 46 124.924 125.362 -0.438 1
1 523 . 3 1 1 A 47 47 PHE H H 47 9.084 8.825 0.259 1
1 524 . 3 1 1 A 47 47 PHE HA H 47 4.417 4.576 -0.159 1
1 529 . 3 1 1 A 47 47 PHE C C 47 176.987 175.764 1.223 1
1 530 . 3 1 1 A 47 47 PHE CA C 47 59.920 59.073 0.847 1
1 531 . 3 1 1 A 47 47 PHE CB C 47 39.420 39.626 -0.206 1
1 533 . 3 1 1 A 47 47 PHE N N 47 125.357 125.764 -0.407 1
1 534 . 3 1 1 A 48 48 LYS H H 48 8.082 8.185 -0.103 1
1 535 . 3 1 1 A 48 48 LYS HA H 48 4.233 4.530 -0.297 1
1 544 . 3 1 1 A 48 48 LYS C C 48 176.278 175.335 0.943 1
1 545 . 3 1 1 A 48 48 LYS CA C 48 57.670 56.284 1.386 1
1 546 . 3 1 1 A 48 48 LYS CB C 48 33.900 30.993 2.907 1
1 550 . 3 1 1 A 48 48 LYS N N 48 122.654 122.436 0.218 1
1 551 . 3 1 1 A 49 49 LYS H H 49 8.475 8.778 -0.303 1
1 552 . 3 1 1 A 49 49 LYS HA H 49 4.299 5.043 -0.744 1
1 561 . 3 1 1 A 49 49 LYS C C 49 175.979 176.054 -0.075 1
1 562 . 3 1 1 A 49 49 LYS CA C 49 56.100 54.764 1.336 1
1 563 . 3 1 1 A 49 49 LYS CB C 49 33.090 35.667 -2.577 1
1 567 . 3 1 1 A 49 49 LYS N N 49 121.521 125.899 -4.378 1
1 568 . 3 1 1 A 50 50 ALA H H 50 8.250 8.647 -0.397 1
1 569 . 3 1 1 A 50 50 ALA HA H 50 4.264 4.367 -0.103 1
1 573 . 3 1 1 A 50 50 ALA C C 50 177.617 177.274 0.343 1
1 574 . 3 1 1 A 50 50 ALA CA C 50 52.490 52.984 -0.494 1
1 575 . 3 1 1 A 50 50 ALA CB C 50 19.420 19.264 0.156 1
1 576 . 3 1 1 A 50 50 ALA N N 50 125.681 127.589 -1.908 1
1 577 . 3 1 1 A 51 51 LYS H H 51 8.279 8.676 -0.397 1
1 578 . 3 1 1 A 51 51 LYS HA H 51 4.296 4.591 -0.295 1
1 585 . 3 1 1 A 51 51 LYS C C 51 176.562 176.636 -0.074 1
1 586 . 3 1 1 A 51 51 LYS CA C 51 56.300 55.643 0.657 1
1 587 . 3 1 1 A 51 51 LYS CB C 51 33.090 31.912 1.178 1
1 591 . 3 1 1 A 51 51 LYS N N 51 121.304 123.252 -1.948 1
1 592 . 3 1 1 A 52 52 LYS H H 52 8.312 8.594 -0.282 1
1 593 . 3 1 1 A 52 52 LYS HA H 52 4.298 4.089 0.209 1
1 598 . 3 1 1 A 52 52 LYS C C 52 176.530 176.218 0.312 1
1 599 . 3 1 1 A 52 52 LYS CA C 52 56.140 56.863 -0.723 1
1 600 . 3 1 1 A 52 52 LYS CB C 52 33.180 31.393 1.787 1
1 603 . 3 1 1 A 52 52 LYS N N 52 123.129 119.703 3.426 1
1 604 . 3 1 1 A 53 53 SER H H 53 8.309 8.134 0.175 1
1 605 . 3 1 1 A 53 53 SER HA H 53 4.399 4.981 -0.582 1
1 608 . 3 1 1 A 53 53 SER C C 53 174.531 173.895 0.636 1
1 609 . 3 1 1 A 53 53 SER CA C 53 58.140 56.225 1.915 1
1 610 . 3 1 1 A 53 53 SER CB C 53 63.780 66.542 -2.762 1
1 611 . 3 1 1 A 53 53 SER N N 53 117.625 116.977 0.648 1
1 612 . 3 1 1 A 54 54 LYS H H 54 8.409 8.363 0.046 1
1 613 . 3 1 1 A 54 54 LYS HA H 54 4.338 4.369 -0.031 1
1 618 . 3 1 1 A 54 54 LYS CA C 54 56.650 56.480 0.170 1
1 619 . 3 1 1 A 54 54 LYS CB C 54 32.920 33.468 -0.548 1
1 621 . 3 1 1 A 54 54 LYS N N 54 123.196 121.047 2.149 1
1 16 . 4 1 1 A 2 2 GLN H H 2 8.326 9.021 -0.695 1
1 17 . 4 1 1 A 2 2 GLN HA H 2 4.252 4.087 0.165 1
1 18 . 4 1 1 A 2 2 GLN CA C 2 55.970 56.531 -0.561 1
1 19 . 4 1 1 A 2 2 GLN CB C 2 29.990 27.394 2.596 1
1 20 . 4 1 1 A 2 2 GLN N N 2 123.332 121.481 1.851 1
1 21 . 4 1 1 A 3 3 LYS HA H 3 4.229 4.064 0.165 1
1 22 . 4 1 1 A 3 3 LYS C C 3 176.404 177.043 -0.639 1
1 23 . 4 1 1 A 3 3 LYS CA C 3 56.570 58.948 -2.378 1
1 24 . 4 1 1 A 3 3 LYS CB C 3 32.880 32.055 0.825 1
1 25 . 4 1 1 A 4 4 ARG H H 4 8.303 8.000 0.303 1
1 26 . 4 1 1 A 4 4 ARG HA H 4 4.237 4.580 -0.343 1
1 33 . 4 1 1 A 4 4 ARG C C 4 176.656 175.037 1.619 1
1 34 . 4 1 1 A 4 4 ARG CA C 4 56.420 55.782 0.638 1
1 35 . 4 1 1 A 4 4 ARG CB C 4 30.910 30.777 0.133 1
1 38 . 4 1 1 A 4 4 ARG N N 4 122.770 117.862 4.908 1
1 39 . 4 1 1 A 5 5 GLU H H 5 8.472 8.832 -0.360 1
1 40 . 4 1 1 A 5 5 GLU HA H 5 4.201 4.826 -0.625 1
1 45 . 4 1 1 A 5 5 GLU C C 5 176.137 174.700 1.437 1
1 46 . 4 1 1 A 5 5 GLU CA C 5 56.650 56.029 0.621 1
1 47 . 4 1 1 A 5 5 GLU CB C 5 30.400 30.680 -0.280 1
1 49 . 4 1 1 A 5 5 GLU N N 5 121.724 125.266 -3.542 1
1 50 . 4 1 1 A 6 6 LEU H H 6 8.127 8.782 -0.655 1
1 51 . 4 1 1 A 6 6 LEU HA H 6 4.200 4.742 -0.542 1
1 61 . 4 1 1 A 6 6 LEU C C 6 176.782 174.782 2.000 1
1 62 . 4 1 1 A 6 6 LEU CA C 6 55.200 53.683 1.517 1
1 63 . 4 1 1 A 6 6 LEU CB C 6 42.520 42.073 0.447 1
1 67 . 4 1 1 A 6 6 LEU N N 6 122.169 127.646 -5.477 1
1 68 . 4 1 1 A 7 7 TYR H H 7 7.943 8.550 -0.607 1
1 69 . 4 1 1 A 7 7 TYR HA H 7 4.636 5.532 -0.896 1
1 76 . 4 1 1 A 7 7 TYR C C 7 175.350 174.631 0.719 1
1 77 . 4 1 1 A 7 7 TYR CA C 7 57.420 56.003 1.417 1
1 78 . 4 1 1 A 7 7 TYR CB C 7 39.370 40.169 -0.799 1
1 81 . 4 1 1 A 7 7 TYR N N 7 119.193 122.505 -3.312 1
1 82 . 4 1 1 A 8 8 GLU H H 8 8.314 8.994 -0.680 1
1 83 . 4 1 1 A 8 8 GLU HA H 8 4.314 5.069 -0.755 1
1 88 . 4 1 1 A 8 8 GLU C C 8 175.665 174.877 0.788 1
1 89 . 4 1 1 A 8 8 GLU CA C 8 55.880 55.020 0.860 1
1 90 . 4 1 1 A 8 8 GLU CB C 8 31.100 33.168 -2.068 1
1 92 . 4 1 1 A 8 8 GLU N N 8 121.754 122.568 -0.814 1
1 93 . 4 1 1 A 9 9 ILE H H 9 8.116 8.728 -0.612 1
1 94 . 4 1 1 A 9 9 ILE HA H 9 4.204 4.592 -0.388 1
1 104 . 4 1 1 A 9 9 ILE C C 9 176.058 175.160 0.898 1
1 105 . 4 1 1 A 9 9 ILE CA C 9 60.640 60.424 0.216 1
1 106 . 4 1 1 A 9 9 ILE CB C 9 38.440 38.766 -0.326 1
1 110 . 4 1 1 A 9 9 ILE N N 9 121.966 120.967 0.999 1
1 111 . 4 1 1 A 10 10 ALA H H 10 8.472 8.748 -0.276 1
1 112 . 4 1 1 A 10 10 ALA HA H 10 4.342 5.044 -0.702 1
1 116 . 4 1 1 A 10 10 ALA C C 10 177.286 175.366 1.920 1
1 117 . 4 1 1 A 10 10 ALA CA C 10 52.450 51.334 1.116 1
1 118 . 4 1 1 A 10 10 ALA CB C 10 19.420 21.042 -1.622 1
1 119 . 4 1 1 A 10 10 ALA N N 10 128.558 127.072 1.486 1
1 120 . 4 1 1 A 11 11 ASP H H 11 8.423 9.060 -0.637 1
1 121 . 4 1 1 A 11 11 ASP HA H 11 4.423 5.182 -0.759 1
1 124 . 4 1 1 A 11 11 ASP C C 11 176.798 174.886 1.912 1
1 125 . 4 1 1 A 11 11 ASP CA C 11 54.780 52.680 2.100 1
1 126 . 4 1 1 A 11 11 ASP CB C 11 40.900 44.953 -4.053 1
1 127 . 4 1 1 A 11 11 ASP N N 11 120.945 121.528 -0.583 1
1 128 . 4 1 1 A 12 12 GLY H H 12 8.263 8.853 -0.590 1
1 129 . 4 1 1 A 12 12 GLY HA2 H 12 3.928 4.046 -0.118 1
1 130 . 4 1 1 A 12 12 GLY HA3 H 12 3.765 4.051 -0.286 1
1 131 . 4 1 1 A 12 12 GLY C C 12 174.326 172.288 2.038 1
1 132 . 4 1 1 A 12 12 GLY CA C 12 45.630 45.293 0.337 1
1 133 . 4 1 1 A 12 12 GLY N N 12 107.572 107.052 0.520 1
1 134 . 4 1 1 A 13 13 LYS H H 13 7.974 8.825 -0.851 1
1 135 . 4 1 1 A 13 13 LYS HA H 13 4.286 4.607 -0.321 1
1 144 . 4 1 1 A 13 13 LYS C C 13 176.105 175.534 0.571 1
1 145 . 4 1 1 A 13 13 LYS CA C 13 55.970 55.942 0.028 1
1 146 . 4 1 1 A 13 13 LYS CB C 13 33.000 35.434 -2.434 1
1 150 . 4 1 1 A 13 13 LYS N N 13 120.339 124.545 -4.206 1
1 151 . 4 1 1 A 14 14 LEU H H 14 8.103 8.902 -0.799 1
1 152 . 4 1 1 A 14 14 LEU HA H 14 4.355 4.290 0.065 1
1 162 . 4 1 1 A 14 14 LEU C C 14 177.050 176.348 0.702 1
1 163 . 4 1 1 A 14 14 LEU CA C 14 54.990 55.951 -0.961 1
1 164 . 4 1 1 A 14 14 LEU CB C 14 42.180 40.046 2.134 1
1 168 . 4 1 1 A 14 14 LEU N N 14 122.169 126.045 -3.876 1
1 169 . 4 1 1 A 15 15 VAL H H 15 8.236 8.206 0.030 1
1 170 . 4 1 1 A 15 15 VAL HA H 15 4.090 4.081 0.009 1
1 178 . 4 1 1 A 15 15 VAL C C 15 175.680 176.310 -0.630 1
1 179 . 4 1 1 A 15 15 VAL CA C 15 62.000 63.996 -1.996 1
1 180 . 4 1 1 A 15 15 VAL CB C 15 33.050 33.049 0.001 1
1 182 . 4 1 1 A 15 15 VAL N N 15 122.264 116.746 5.518 1
1 183 . 4 1 1 A 16 16 ARG H H 16 8.293 7.816 0.477 1
1 184 . 4 1 1 A 16 16 ARG HA H 16 4.187 4.702 -0.515 1
1 191 . 4 1 1 A 16 16 ARG C C 16 175.822 176.164 -0.342 1
1 192 . 4 1 1 A 16 16 ARG CA C 16 55.820 57.561 -1.741 1
1 193 . 4 1 1 A 16 16 ARG CB C 16 30.820 32.146 -1.326 1
1 196 . 4 1 1 A 16 16 ARG N N 16 124.903 117.198 7.705 1
1 197 . 4 1 1 A 17 17 LYS H H 17 8.239 8.460 -0.221 1
1 198 . 4 1 1 A 17 17 LYS HA H 17 4.130 4.337 -0.207 1
1 207 . 4 1 1 A 17 17 LYS C C 17 175.995 175.691 0.304 1
1 208 . 4 1 1 A 17 17 LYS CA C 17 56.270 55.942 0.328 1
1 209 . 4 1 1 A 17 17 LYS CB C 17 33.130 30.534 2.596 1
1 213 . 4 1 1 A 17 17 LYS N N 17 123.108 120.634 2.474 1
1 214 . 4 1 1 A 18 18 HIS H H 18 8.067 8.367 -0.300 1
1 215 . 4 1 1 A 18 18 HIS HA H 18 4.572 4.774 -0.202 1
1 218 . 4 1 1 A 18 18 HIS C C 18 174.736 173.288 1.448 1
1 219 . 4 1 1 A 18 18 HIS CA C 18 55.460 54.858 0.602 1
1 220 . 4 1 1 A 18 18 HIS CB C 18 31.390 33.055 -1.665 1
1 221 . 4 1 1 A 18 18 HIS N N 18 120.275 120.873 -0.598 1
1 222 . 4 1 1 A 19 19 ARG H H 19 8.767 8.624 0.143 1
1 223 . 4 1 1 A 19 19 ARG HA H 19 4.254 4.338 -0.084 1
1 230 . 4 1 1 A 19 19 ARG C C 19 175.790 175.837 -0.047 1
1 231 . 4 1 1 A 19 19 ARG CA C 19 55.480 56.491 -1.011 1
1 232 . 4 1 1 A 19 19 ARG CB C 19 32.050 30.777 1.273 1
1 235 . 4 1 1 A 19 19 ARG N N 19 122.186 124.923 -2.737 1
1 236 . 4 1 1 A 20 20 PHE H H 20 7.866 8.693 -0.827 1
1 237 . 4 1 1 A 20 20 PHE HA H 20 5.296 5.094 0.202 1
1 245 . 4 1 1 A 20 20 PHE C C 20 174.673 174.927 -0.254 1
1 246 . 4 1 1 A 20 20 PHE CA C 20 54.520 56.939 -2.419 1
1 247 . 4 1 1 A 20 20 PHE CB C 20 40.050 42.940 -2.890 1
1 251 . 4 1 1 A 20 20 PHE N N 20 120.369 121.053 -0.684 1
1 252 . 4 1 1 A 21 21 CYS H H 21 8.557 8.635 -0.078 1
1 253 . 4 1 1 A 21 21 CYS HA H 21 4.062 4.642 -0.580 1
1 256 . 4 1 1 A 21 21 CYS CA C 21 56.880 56.678 0.202 1
1 257 . 4 1 1 A 21 21 CYS CB C 21 30.710 28.860 1.850 1
1 258 . 4 1 1 A 21 21 CYS N N 21 123.994 121.205 2.789 1
1 259 . 4 1 1 A 22 22 PRO HA H 22 4.211 4.311 -0.100 1
1 266 . 4 1 1 A 22 22 PRO C C 22 177.475 179.012 -1.537 1
1 267 . 4 1 1 A 22 22 PRO CA C 22 64.260 65.698 -1.438 1
1 268 . 4 1 1 A 22 22 PRO CB C 22 31.730 31.471 0.259 1
1 271 . 4 1 1 A 23 23 ARG H H 23 8.569 8.187 0.382 1
1 272 . 4 1 1 A 23 23 ARG HA H 23 4.223 4.065 0.158 1
1 279 . 4 1 1 A 23 23 ARG C C 23 178.246 177.770 0.476 1
1 280 . 4 1 1 A 23 23 ARG CA C 23 58.030 58.648 -0.618 1
1 281 . 4 1 1 A 23 23 ARG CB C 23 31.240 30.137 1.103 1
1 284 . 4 1 1 A 23 23 ARG N N 23 121.075 117.720 3.355 1
1 285 . 4 1 1 A 24 24 CYS H H 24 9.550 8.190 1.360 1
1 286 . 4 1 1 A 24 24 CYS HA H 24 3.872 4.472 -0.600 1
1 289 . 4 1 1 A 24 24 CYS C C 24 177.302 176.192 1.110 1
1 290 . 4 1 1 A 24 24 CYS CA C 24 63.060 60.205 2.855 1
1 291 . 4 1 1 A 24 24 CYS CB C 24 30.120 27.598 2.522 1
1 292 . 4 1 1 A 24 24 CYS N N 24 123.692 117.677 6.015 1
1 293 . 4 1 1 A 25 25 GLY H H 25 8.166 8.337 -0.171 1
1 294 . 4 1 1 A 25 25 GLY HA2 H 25 4.142 3.788 0.354 1
1 295 . 4 1 1 A 25 25 GLY HA3 H 25 3.623 3.824 -0.201 1
1 296 . 4 1 1 A 25 25 GLY CA C 25 44.640 48.113 -3.473 1
1 297 . 4 1 1 A 25 25 GLY N N 25 107.593 109.680 -2.087 1
1 298 . 4 1 1 A 26 26 PRO HA H 26 2.807 4.177 -1.370 1
1 305 . 4 1 1 A 26 26 PRO C C 26 176.940 177.529 -0.589 1
1 306 . 4 1 1 A 26 26 PRO CA C 26 63.060 63.474 -0.414 1
1 307 . 4 1 1 A 26 26 PRO CB C 26 31.650 30.281 1.369 1
1 310 . 4 1 1 A 27 27 GLY H H 27 6.847 8.800 -1.953 1
1 311 . 4 1 1 A 27 27 GLY HA2 H 27 3.800 3.949 -0.149 1
1 312 . 4 1 1 A 27 27 GLY HA3 H 27 3.334 3.957 -0.623 1
1 313 . 4 1 1 A 27 27 GLY C C 27 172.705 173.930 -1.225 1
1 314 . 4 1 1 A 27 27 GLY CA C 27 44.400 45.210 -0.810 1
1 315 . 4 1 1 A 27 27 GLY N N 27 108.726 112.996 -4.270 1
1 316 . 4 1 1 A 28 28 VAL H H 28 7.416 7.681 -0.265 1
1 317 . 4 1 1 A 28 28 VAL HA H 28 3.964 4.184 -0.220 1
1 325 . 4 1 1 A 28 28 VAL C C 28 174.626 175.060 -0.434 1
1 326 . 4 1 1 A 28 28 VAL CA C 28 62.040 61.406 0.634 1
1 327 . 4 1 1 A 28 28 VAL CB C 28 32.080 32.873 -0.793 1
1 330 . 4 1 1 A 28 28 VAL N N 28 123.159 121.912 1.247 1
1 331 . 4 1 1 A 29 29 PHE H H 29 8.484 9.030 -0.546 1
1 332 . 4 1 1 A 29 29 PHE HA H 29 4.905 4.831 0.074 1
1 340 . 4 1 1 A 29 29 PHE C C 29 177.349 174.854 2.495 1
1 341 . 4 1 1 A 29 29 PHE CA C 29 57.800 57.210 0.590 1
1 342 . 4 1 1 A 29 29 PHE CB C 29 40.050 39.672 0.378 1
1 346 . 4 1 1 A 29 29 PHE N N 29 124.513 126.790 -2.277 1
1 347 . 4 1 1 A 30 30 LEU H H 30 8.615 8.822 -0.207 1
1 348 . 4 1 1 A 30 30 LEU HA H 30 4.425 4.933 -0.508 1
1 358 . 4 1 1 A 30 30 LEU C C 30 176.877 175.868 1.009 1
1 359 . 4 1 1 A 30 30 LEU CA C 30 54.180 54.158 0.022 1
1 360 . 4 1 1 A 30 30 LEU CB C 30 42.470 43.590 -1.120 1
1 364 . 4 1 1 A 30 30 LEU N N 30 120.729 123.086 -2.357 1
1 365 . 4 1 1 A 31 31 ALA H H 31 9.109 8.502 0.607 1
1 366 . 4 1 1 A 31 31 ALA HA H 31 4.502 4.577 -0.075 1
1 370 . 4 1 1 A 31 31 ALA C C 31 176.231 176.919 -0.688 1
1 371 . 4 1 1 A 31 31 ALA CA C 31 51.170 52.858 -1.688 1
1 372 . 4 1 1 A 31 31 ALA CB C 31 20.140 19.157 0.983 1
1 373 . 4 1 1 A 31 31 ALA N N 31 126.827 130.101 -3.274 1
1 374 . 4 1 1 A 32 32 GLU H H 32 8.580 9.023 -0.443 1
1 375 . 4 1 1 A 32 32 GLU HA H 32 4.172 4.668 -0.496 1
1 380 . 4 1 1 A 32 32 GLU C C 32 174.736 175.529 -0.793 1
1 381 . 4 1 1 A 32 32 GLU CA C 32 56.140 56.063 0.077 1
1 382 . 4 1 1 A 32 32 GLU CB C 32 30.540 30.573 -0.033 1
1 384 . 4 1 1 A 32 32 GLU N N 32 122.632 125.774 -3.142 1
1 385 . 4 1 1 A 33 33 HIS H H 33 8.596 9.174 -0.578 1
1 386 . 4 1 1 A 33 33 HIS HA H 33 4.816 4.921 -0.105 1
1 390 . 4 1 1 A 33 33 HIS CA C 33 53.900 54.597 -0.697 1
1 391 . 4 1 1 A 33 33 HIS CB C 33 33.160 32.525 0.635 1
1 393 . 4 1 1 A 33 33 HIS N N 33 126.719 124.536 2.183 1
1 394 . 4 1 1 A 34 34 ALA HA H 34 4.011 3.897 0.114 1
1 398 . 4 1 1 A 34 34 ALA C C 34 178.514 178.815 -0.301 1
1 399 . 4 1 1 A 34 34 ALA CA C 34 55.850 54.877 0.973 1
1 400 . 4 1 1 A 34 34 ALA CB C 34 18.060 18.425 -0.365 1
1 401 . 4 1 1 A 35 35 ASP H H 35 8.241 7.970 0.271 1
1 402 . 4 1 1 A 35 35 ASP HA H 35 4.737 4.626 0.111 1
1 405 . 4 1 1 A 35 35 ASP C C 35 177.003 176.197 0.806 1
1 406 . 4 1 1 A 35 35 ASP CA C 35 53.040 56.243 -3.203 1
1 407 . 4 1 1 A 35 35 ASP CB C 35 41.840 42.246 -0.406 1
1 408 . 4 1 1 A 35 35 ASP N N 35 108.393 115.802 -7.409 1
1 409 . 4 1 1 A 36 36 ARG H H 36 7.175 7.325 -0.150 1
1 410 . 4 1 1 A 36 36 ARG HA H 36 4.940 4.519 0.421 1
1 417 . 4 1 1 A 36 36 ARG C C 36 171.430 173.408 -1.978 1
1 418 . 4 1 1 A 36 36 ARG CA C 36 54.670 54.865 -0.195 1
1 419 . 4 1 1 A 36 36 ARG CB C 36 31.550 32.226 -0.676 1
1 422 . 4 1 1 A 36 36 ARG N N 36 116.403 113.351 3.052 1
1 423 . 4 1 1 A 37 37 TYR H H 37 9.025 9.168 -0.143 1
1 424 . 4 1 1 A 37 37 TYR HA H 37 5.546 5.590 -0.044 1
1 431 . 4 1 1 A 37 37 TYR C C 37 176.027 175.115 0.912 1
1 432 . 4 1 1 A 37 37 TYR CA C 37 56.400 57.143 -0.743 1
1 433 . 4 1 1 A 37 37 TYR CB C 37 41.830 41.212 0.618 1
1 436 . 4 1 1 A 37 37 TYR N N 37 118.099 118.828 -0.729 1
1 437 . 4 1 1 A 38 38 SER H H 38 9.208 9.022 0.186 1
1 438 . 4 1 1 A 38 38 SER HA H 38 5.675 5.189 0.486 1
1 441 . 4 1 1 A 38 38 SER C C 38 172.862 172.337 0.525 1
1 442 . 4 1 1 A 38 38 SER CA C 38 57.200 56.483 0.717 1
1 443 . 4 1 1 A 38 38 SER CB C 38 67.430 65.383 2.047 1
1 444 . 4 1 1 A 38 38 SER N N 38 114.608 115.596 -0.988 1
1 445 . 4 1 1 A 39 39 CYS H H 39 9.403 8.798 0.605 1
1 446 . 4 1 1 A 39 39 CYS HA H 39 4.781 4.842 -0.061 1
1 449 . 4 1 1 A 39 39 CYS C C 39 177.931 173.426 4.505 1
1 450 . 4 1 1 A 39 39 CYS CA C 39 58.680 57.755 0.925 1
1 451 . 4 1 1 A 39 39 CYS CB C 39 32.710 28.624 4.086 1
1 452 . 4 1 1 A 39 39 CYS N N 39 127.346 122.146 5.200 1
1 453 . 4 1 1 A 40 40 GLY H H 40 9.147 8.760 0.387 1
1 454 . 4 1 1 A 40 40 GLY HA2 H 40 4.053 3.955 0.098 1
1 455 . 4 1 1 A 40 40 GLY HA3 H 40 3.875 3.962 -0.087 1
1 456 . 4 1 1 A 40 40 GLY C C 40 173.602 174.134 -0.532 1
1 457 . 4 1 1 A 40 40 GLY CA C 40 46.270 47.060 -0.790 1
1 458 . 4 1 1 A 40 40 GLY N N 40 119.366 114.696 4.670 1
1 459 . 4 1 1 A 41 41 ARG H H 41 9.279 8.467 0.812 1
1 460 . 4 1 1 A 41 41 ARG HA H 41 4.362 4.588 -0.226 1
1 467 . 4 1 1 A 41 41 ARG C C 41 177.601 176.871 0.730 1
1 468 . 4 1 1 A 41 41 ARG CA C 41 58.200 57.144 1.056 1
1 469 . 4 1 1 A 41 41 ARG CB C 41 30.980 33.151 -2.171 1
1 472 . 4 1 1 A 41 41 ARG N N 41 123.467 124.471 -1.004 1
1 473 . 4 1 1 A 42 42 CYS H H 42 8.759 7.837 0.922 1
1 474 . 4 1 1 A 42 42 CYS HA H 42 4.944 4.625 0.319 1
1 477 . 4 1 1 A 42 42 CYS C C 42 177.160 175.683 1.477 1
1 478 . 4 1 1 A 42 42 CYS CA C 42 58.390 58.474 -0.084 1
1 479 . 4 1 1 A 42 42 CYS CB C 42 33.600 29.176 4.424 1
1 480 . 4 1 1 A 42 42 CYS N N 42 118.328 115.607 2.721 1
1 481 . 4 1 1 A 43 43 GLY H H 43 7.686 8.217 -0.531 1
1 482 . 4 1 1 A 43 43 GLY HA2 H 43 4.251 3.959 0.292 1
1 483 . 4 1 1 A 43 43 GLY HA3 H 43 3.782 3.970 -0.188 1
1 484 . 4 1 1 A 43 43 GLY C C 43 174.122 173.991 0.131 1
1 485 . 4 1 1 A 43 43 GLY CA C 43 46.100 45.836 0.264 1
1 486 . 4 1 1 A 43 43 GLY N N 43 112.843 110.809 2.034 1
1 487 . 4 1 1 A 44 44 TYR H H 44 9.285 8.155 1.130 1
1 488 . 4 1 1 A 44 44 TYR HA H 44 4.109 4.327 -0.218 1
1 495 . 4 1 1 A 44 44 TYR C C 44 174.248 174.938 -0.690 1
1 496 . 4 1 1 A 44 44 TYR CA C 44 60.680 58.223 2.457 1
1 497 . 4 1 1 A 44 44 TYR CB C 44 39.840 38.471 1.369 1
1 500 . 4 1 1 A 44 44 TYR N N 44 127.411 122.422 4.989 1
1 501 . 4 1 1 A 45 45 THR H H 45 7.572 8.695 -1.123 1
1 502 . 4 1 1 A 45 45 THR HA H 45 4.763 4.958 -0.195 1
1 507 . 4 1 1 A 45 45 THR C C 45 171.635 172.583 -0.948 1
1 508 . 4 1 1 A 45 45 THR CA C 45 60.820 61.146 -0.326 1
1 509 . 4 1 1 A 45 45 THR CB C 45 72.660 70.790 1.870 1
1 511 . 4 1 1 A 45 45 THR N N 45 122.481 124.035 -1.554 1
1 512 . 4 1 1 A 46 46 GLU H H 46 8.456 8.678 -0.222 1
1 513 . 4 1 1 A 46 46 GLU HA H 46 4.430 4.868 -0.438 1
1 518 . 4 1 1 A 46 46 GLU C C 46 175.240 175.724 -0.484 1
1 519 . 4 1 1 A 46 46 GLU CA C 46 54.100 54.365 -0.265 1
1 520 . 4 1 1 A 46 46 GLU CB C 46 33.180 33.218 -0.038 1
1 522 . 4 1 1 A 46 46 GLU N N 46 124.924 127.938 -3.014 1
1 523 . 4 1 1 A 47 47 PHE H H 47 9.084 8.996 0.088 1
1 524 . 4 1 1 A 47 47 PHE HA H 47 4.417 4.621 -0.204 1
1 529 . 4 1 1 A 47 47 PHE C C 47 176.987 175.762 1.225 1
1 530 . 4 1 1 A 47 47 PHE CA C 47 59.920 58.612 1.308 1
1 531 . 4 1 1 A 47 47 PHE CB C 47 39.420 39.606 -0.186 1
1 533 . 4 1 1 A 47 47 PHE N N 47 125.357 125.702 -0.345 1
1 534 . 4 1 1 A 48 48 LYS H H 48 8.082 8.448 -0.366 1
1 535 . 4 1 1 A 48 48 LYS HA H 48 4.233 4.281 -0.048 1
1 544 . 4 1 1 A 48 48 LYS C C 48 176.278 175.937 0.341 1
1 545 . 4 1 1 A 48 48 LYS CA C 48 57.670 56.559 1.111 1
1 546 . 4 1 1 A 48 48 LYS CB C 48 33.900 32.316 1.584 1
1 550 . 4 1 1 A 48 48 LYS N N 48 122.654 122.791 -0.137 1
1 551 . 4 1 1 A 49 49 LYS H H 49 8.475 8.673 -0.198 1
1 552 . 4 1 1 A 49 49 LYS HA H 49 4.299 4.517 -0.218 1
1 561 . 4 1 1 A 49 49 LYS C C 49 175.979 176.789 -0.810 1
1 562 . 4 1 1 A 49 49 LYS CA C 49 56.100 55.667 0.433 1
1 563 . 4 1 1 A 49 49 LYS CB C 49 33.090 31.517 1.573 1
1 567 . 4 1 1 A 49 49 LYS N N 49 121.521 125.671 -4.150 1
1 568 . 4 1 1 A 50 50 ALA H H 50 8.250 8.331 -0.081 1
1 569 . 4 1 1 A 50 50 ALA HA H 50 4.264 4.719 -0.455 1
1 573 . 4 1 1 A 50 50 ALA C C 50 177.617 178.128 -0.511 1
1 574 . 4 1 1 A 50 50 ALA CA C 50 52.490 51.051 1.439 1
1 575 . 4 1 1 A 50 50 ALA CB C 50 19.420 19.533 -0.113 1
1 576 . 4 1 1 A 50 50 ALA N N 50 125.681 127.471 -1.790 1
1 577 . 4 1 1 A 51 51 LYS H H 51 8.279 7.849 0.430 1
1 578 . 4 1 1 A 51 51 LYS HA H 51 4.296 3.882 0.414 1
1 585 . 4 1 1 A 51 51 LYS C C 51 176.562 176.381 0.181 1
1 586 . 4 1 1 A 51 51 LYS CA C 51 56.300 59.854 -3.554 1
1 587 . 4 1 1 A 51 51 LYS CB C 51 33.090 32.170 0.920 1
1 591 . 4 1 1 A 51 51 LYS N N 51 121.304 119.749 1.555 1
1 592 . 4 1 1 A 52 52 LYS H H 52 8.312 8.027 0.285 1
1 593 . 4 1 1 A 52 52 LYS HA H 52 4.298 3.965 0.333 1
1 598 . 4 1 1 A 52 52 LYS C C 52 176.530 175.263 1.267 1
1 599 . 4 1 1 A 52 52 LYS CA C 52 56.140 57.136 -0.996 1
1 600 . 4 1 1 A 52 52 LYS CB C 52 33.180 30.939 2.241 1
1 603 . 4 1 1 A 52 52 LYS N N 52 123.129 119.201 3.928 1
1 604 . 4 1 1 A 53 53 SER H H 53 8.309 8.005 0.304 1
1 605 . 4 1 1 A 53 53 SER HA H 53 4.399 5.019 -0.620 1
1 608 . 4 1 1 A 53 53 SER C C 53 174.531 173.279 1.252 1
1 609 . 4 1 1 A 53 53 SER CA C 53 58.140 57.342 0.798 1
1 610 . 4 1 1 A 53 53 SER CB C 53 63.780 67.051 -3.271 1
1 611 . 4 1 1 A 53 53 SER N N 53 117.625 119.607 -1.982 1
1 612 . 4 1 1 A 54 54 LYS H H 54 8.409 8.581 -0.172 1
1 613 . 4 1 1 A 54 54 LYS HA H 54 4.338 3.986 0.352 1
1 618 . 4 1 1 A 54 54 LYS CA C 54 56.650 56.957 -0.307 1
1 619 . 4 1 1 A 54 54 LYS CB C 54 32.920 32.162 0.758 1
1 621 . 4 1 1 A 54 54 LYS N N 54 123.196 122.390 0.806 1
1 16 . 5 1 1 A 2 2 GLN H H 2 8.326 8.435 -0.109 1
1 17 . 5 1 1 A 2 2 GLN HA H 2 4.252 4.648 -0.396 1
1 18 . 5 1 1 A 2 2 GLN CA C 2 55.970 55.910 0.060 1
1 19 . 5 1 1 A 2 2 GLN CB C 2 29.990 29.394 0.596 1
1 20 . 5 1 1 A 2 2 GLN N N 2 123.332 120.376 2.956 1
1 21 . 5 1 1 A 3 3 LYS HA H 3 4.229 4.596 -0.367 1
1 22 . 5 1 1 A 3 3 LYS C C 3 176.404 175.523 0.881 1
1 23 . 5 1 1 A 3 3 LYS CA C 3 56.570 56.068 0.502 1
1 24 . 5 1 1 A 3 3 LYS CB C 3 32.880 32.920 -0.040 1
1 25 . 5 1 1 A 4 4 ARG H H 4 8.303 8.673 -0.370 1
1 26 . 5 1 1 A 4 4 ARG HA H 4 4.237 4.825 -0.588 1
1 33 . 5 1 1 A 4 4 ARG C C 4 176.656 176.130 0.526 1
1 34 . 5 1 1 A 4 4 ARG CA C 4 56.420 54.676 1.744 1
1 35 . 5 1 1 A 4 4 ARG CB C 4 30.910 31.559 -0.649 1
1 38 . 5 1 1 A 4 4 ARG N N 4 122.770 122.364 0.406 1
1 39 . 5 1 1 A 5 5 GLU H H 5 8.472 8.884 -0.412 1
1 40 . 5 1 1 A 5 5 GLU HA H 5 4.201 4.076 0.125 1
1 45 . 5 1 1 A 5 5 GLU C C 5 176.137 177.160 -1.023 1
1 46 . 5 1 1 A 5 5 GLU CA C 5 56.650 58.961 -2.311 1
1 47 . 5 1 1 A 5 5 GLU CB C 5 30.400 29.971 0.429 1
1 49 . 5 1 1 A 5 5 GLU N N 5 121.724 125.557 -3.833 1
1 50 . 5 1 1 A 6 6 LEU H H 6 8.127 8.020 0.107 1
1 51 . 5 1 1 A 6 6 LEU HA H 6 4.200 4.289 -0.089 1
1 61 . 5 1 1 A 6 6 LEU C C 6 176.782 175.478 1.304 1
1 62 . 5 1 1 A 6 6 LEU CA C 6 55.200 57.129 -1.929 1
1 63 . 5 1 1 A 6 6 LEU CB C 6 42.520 40.718 1.802 1
1 67 . 5 1 1 A 6 6 LEU N N 6 122.169 119.064 3.105 1
1 68 . 5 1 1 A 7 7 TYR H H 7 7.943 8.107 -0.164 1
1 69 . 5 1 1 A 7 7 TYR HA H 7 4.636 5.364 -0.728 1
1 76 . 5 1 1 A 7 7 TYR C C 7 175.350 173.565 1.785 1
1 77 . 5 1 1 A 7 7 TYR CA C 7 57.420 55.636 1.784 1
1 78 . 5 1 1 A 7 7 TYR CB C 7 39.370 39.457 -0.087 1
1 81 . 5 1 1 A 7 7 TYR N N 7 119.193 116.689 2.504 1
1 82 . 5 1 1 A 8 8 GLU H H 8 8.314 8.761 -0.447 1
1 83 . 5 1 1 A 8 8 GLU HA H 8 4.314 4.573 -0.259 1
1 88 . 5 1 1 A 8 8 GLU C C 8 175.665 176.305 -0.640 1
1 89 . 5 1 1 A 8 8 GLU CA C 8 55.880 55.740 0.140 1
1 90 . 5 1 1 A 8 8 GLU CB C 8 31.100 31.405 -0.305 1
1 92 . 5 1 1 A 8 8 GLU N N 8 121.754 125.337 -3.583 1
1 93 . 5 1 1 A 9 9 ILE H H 9 8.116 8.603 -0.487 1
1 94 . 5 1 1 A 9 9 ILE HA H 9 4.204 3.902 0.302 1
1 104 . 5 1 1 A 9 9 ILE C C 9 176.058 175.779 0.279 1
1 105 . 5 1 1 A 9 9 ILE CA C 9 60.640 61.947 -1.307 1
1 106 . 5 1 1 A 9 9 ILE CB C 9 38.440 36.641 1.799 1
1 110 . 5 1 1 A 9 9 ILE N N 9 121.966 118.825 3.141 1
1 111 . 5 1 1 A 10 10 ALA H H 10 8.472 8.421 0.051 1
1 112 . 5 1 1 A 10 10 ALA HA H 10 4.342 4.739 -0.397 1
1 116 . 5 1 1 A 10 10 ALA C C 10 177.286 177.883 -0.597 1
1 117 . 5 1 1 A 10 10 ALA CA C 10 52.450 51.313 1.137 1
1 118 . 5 1 1 A 10 10 ALA CB C 10 19.420 20.031 -0.611 1
1 119 . 5 1 1 A 10 10 ALA N N 10 128.558 128.910 -0.352 1
1 120 . 5 1 1 A 11 11 ASP H H 11 8.423 8.035 0.388 1
1 121 . 5 1 1 A 11 11 ASP HA H 11 4.423 4.388 0.035 1
1 124 . 5 1 1 A 11 11 ASP C C 11 176.798 177.497 -0.699 1
1 125 . 5 1 1 A 11 11 ASP CA C 11 54.780 56.993 -2.213 1
1 126 . 5 1 1 A 11 11 ASP CB C 11 40.900 40.874 0.026 1
1 127 . 5 1 1 A 11 11 ASP N N 11 120.945 119.344 1.601 1
1 128 . 5 1 1 A 12 12 GLY H H 12 8.263 8.097 0.166 1
1 129 . 5 1 1 A 12 12 GLY HA2 H 12 3.928 3.962 -0.034 1
1 130 . 5 1 1 A 12 12 GLY HA3 H 12 3.765 3.962 -0.197 1
1 131 . 5 1 1 A 12 12 GLY C C 12 174.326 173.462 0.864 1
1 132 . 5 1 1 A 12 12 GLY CA C 12 45.630 46.789 -1.159 1
1 133 . 5 1 1 A 12 12 GLY N N 12 107.572 106.283 1.289 1
1 134 . 5 1 1 A 13 13 LYS H H 13 7.974 8.494 -0.520 1
1 135 . 5 1 1 A 13 13 LYS HA H 13 4.286 4.733 -0.447 1
1 144 . 5 1 1 A 13 13 LYS C C 13 176.105 176.307 -0.202 1
1 145 . 5 1 1 A 13 13 LYS CA C 13 55.970 54.573 1.397 1
1 146 . 5 1 1 A 13 13 LYS CB C 13 33.000 34.157 -1.157 1
1 150 . 5 1 1 A 13 13 LYS N N 13 120.339 124.760 -4.421 1
1 151 . 5 1 1 A 14 14 LEU H H 14 8.103 8.428 -0.325 1
1 152 . 5 1 1 A 14 14 LEU HA H 14 4.355 4.594 -0.239 1
1 162 . 5 1 1 A 14 14 LEU C C 14 177.050 175.387 1.663 1
1 163 . 5 1 1 A 14 14 LEU CA C 14 54.990 54.393 0.597 1
1 164 . 5 1 1 A 14 14 LEU CB C 14 42.180 40.549 1.631 1
1 168 . 5 1 1 A 14 14 LEU N N 14 122.169 124.115 -1.946 1
1 169 . 5 1 1 A 15 15 VAL H H 15 8.236 8.328 -0.092 1
1 170 . 5 1 1 A 15 15 VAL HA H 15 4.090 4.677 -0.587 1
1 178 . 5 1 1 A 15 15 VAL C C 15 175.680 175.727 -0.047 1
1 179 . 5 1 1 A 15 15 VAL CA C 15 62.000 59.775 2.225 1
1 180 . 5 1 1 A 15 15 VAL CB C 15 33.050 34.396 -1.346 1
1 182 . 5 1 1 A 15 15 VAL N N 15 122.264 124.466 -2.202 1
1 183 . 5 1 1 A 16 16 ARG H H 16 8.293 9.081 -0.788 1
1 184 . 5 1 1 A 16 16 ARG HA H 16 4.187 4.119 0.068 1
1 191 . 5 1 1 A 16 16 ARG C C 16 175.822 174.971 0.851 1
1 192 . 5 1 1 A 16 16 ARG CA C 16 55.820 57.574 -1.754 1
1 193 . 5 1 1 A 16 16 ARG CB C 16 30.820 30.013 0.807 1
1 196 . 5 1 1 A 16 16 ARG N N 16 124.903 128.393 -3.490 1
1 197 . 5 1 1 A 17 17 LYS H H 17 8.239 7.866 0.373 1
1 198 . 5 1 1 A 17 17 LYS HA H 17 4.130 4.254 -0.124 1
1 207 . 5 1 1 A 17 17 LYS C C 17 175.995 175.717 0.278 1
1 208 . 5 1 1 A 17 17 LYS CA C 17 56.270 55.938 0.332 1
1 209 . 5 1 1 A 17 17 LYS CB C 17 33.130 31.659 1.471 1
1 213 . 5 1 1 A 17 17 LYS N N 17 123.108 119.134 3.974 1
1 214 . 5 1 1 A 18 18 HIS H H 18 8.067 8.009 0.058 1
1 215 . 5 1 1 A 18 18 HIS HA H 18 4.572 5.127 -0.555 1
1 218 . 5 1 1 A 18 18 HIS C C 18 174.736 173.145 1.591 1
1 219 . 5 1 1 A 18 18 HIS CA C 18 55.460 54.118 1.342 1
1 220 . 5 1 1 A 18 18 HIS CB C 18 31.390 30.930 0.460 1
1 221 . 5 1 1 A 18 18 HIS N N 18 120.275 119.678 0.597 1
1 222 . 5 1 1 A 19 19 ARG H H 19 8.767 8.603 0.164 1
1 223 . 5 1 1 A 19 19 ARG HA H 19 4.254 4.633 -0.379 1
1 230 . 5 1 1 A 19 19 ARG C C 19 175.790 175.434 0.356 1
1 231 . 5 1 1 A 19 19 ARG CA C 19 55.480 54.494 0.986 1
1 232 . 5 1 1 A 19 19 ARG CB C 19 32.050 32.141 -0.091 1
1 235 . 5 1 1 A 19 19 ARG N N 19 122.186 125.240 -3.054 1
1 236 . 5 1 1 A 20 20 PHE H H 20 7.866 8.514 -0.648 1
1 237 . 5 1 1 A 20 20 PHE HA H 20 5.296 4.780 0.516 1
1 245 . 5 1 1 A 20 20 PHE C C 20 174.673 175.742 -1.069 1
1 246 . 5 1 1 A 20 20 PHE CA C 20 54.520 58.297 -3.777 1
1 247 . 5 1 1 A 20 20 PHE CB C 20 40.050 39.668 0.382 1
1 251 . 5 1 1 A 20 20 PHE N N 20 120.369 123.610 -3.241 1
1 252 . 5 1 1 A 21 21 CYS H H 21 8.557 8.507 0.050 1
1 253 . 5 1 1 A 21 21 CYS HA H 21 4.062 4.423 -0.361 1
1 256 . 5 1 1 A 21 21 CYS CA C 21 56.880 57.370 -0.490 1
1 257 . 5 1 1 A 21 21 CYS CB C 21 30.710 28.274 2.436 1
1 258 . 5 1 1 A 21 21 CYS N N 21 123.994 120.523 3.471 1
1 259 . 5 1 1 A 22 22 PRO HA H 22 4.211 4.280 -0.069 1
1 266 . 5 1 1 A 22 22 PRO C C 22 177.475 178.528 -1.053 1
1 267 . 5 1 1 A 22 22 PRO CA C 22 64.260 65.538 -1.278 1
1 268 . 5 1 1 A 22 22 PRO CB C 22 31.730 31.635 0.095 1
1 271 . 5 1 1 A 23 23 ARG H H 23 8.569 8.180 0.389 1
1 272 . 5 1 1 A 23 23 ARG HA H 23 4.223 4.154 0.069 1
1 279 . 5 1 1 A 23 23 ARG C C 23 178.246 178.270 -0.024 1
1 280 . 5 1 1 A 23 23 ARG CA C 23 58.030 58.806 -0.776 1
1 281 . 5 1 1 A 23 23 ARG CB C 23 31.240 31.054 0.186 1
1 284 . 5 1 1 A 23 23 ARG N N 23 121.075 117.731 3.344 1
1 285 . 5 1 1 A 24 24 CYS H H 24 9.550 8.306 1.244 1
1 286 . 5 1 1 A 24 24 CYS HA H 24 3.872 4.446 -0.574 1
1 289 . 5 1 1 A 24 24 CYS C C 24 177.302 176.162 1.140 1
1 290 . 5 1 1 A 24 24 CYS CA C 24 63.060 60.812 2.248 1
1 291 . 5 1 1 A 24 24 CYS CB C 24 30.120 27.092 3.028 1
1 292 . 5 1 1 A 24 24 CYS N N 24 123.692 117.921 5.771 1
1 293 . 5 1 1 A 25 25 GLY H H 25 8.166 8.249 -0.083 1
1 294 . 5 1 1 A 25 25 GLY HA2 H 25 4.142 3.816 0.326 1
1 295 . 5 1 1 A 25 25 GLY HA3 H 25 3.623 3.823 -0.200 1
1 296 . 5 1 1 A 25 25 GLY CA C 25 44.640 48.040 -3.400 1
1 297 . 5 1 1 A 25 25 GLY N N 25 107.593 109.490 -1.897 1
1 298 . 5 1 1 A 26 26 PRO HA H 26 2.807 4.133 -1.326 1
1 305 . 5 1 1 A 26 26 PRO C C 26 176.940 177.478 -0.538 1
1 306 . 5 1 1 A 26 26 PRO CA C 26 63.060 63.513 -0.453 1
1 307 . 5 1 1 A 26 26 PRO CB C 26 31.650 30.542 1.108 1
1 310 . 5 1 1 A 27 27 GLY H H 27 6.847 8.555 -1.708 1
1 311 . 5 1 1 A 27 27 GLY HA2 H 27 3.800 3.883 -0.083 1
1 312 . 5 1 1 A 27 27 GLY HA3 H 27 3.334 3.901 -0.567 1
1 313 . 5 1 1 A 27 27 GLY C C 27 172.705 173.479 -0.774 1
1 314 . 5 1 1 A 27 27 GLY CA C 27 44.400 45.113 -0.713 1
1 315 . 5 1 1 A 27 27 GLY N N 27 108.726 112.710 -3.984 1
1 316 . 5 1 1 A 28 28 VAL H H 28 7.416 7.675 -0.259 1
1 317 . 5 1 1 A 28 28 VAL HA H 28 3.964 4.390 -0.426 1
1 325 . 5 1 1 A 28 28 VAL C C 28 174.626 175.203 -0.577 1
1 326 . 5 1 1 A 28 28 VAL CA C 28 62.040 61.108 0.932 1
1 327 . 5 1 1 A 28 28 VAL CB C 28 32.080 33.427 -1.347 1
1 330 . 5 1 1 A 28 28 VAL N N 28 123.159 121.802 1.357 1
1 331 . 5 1 1 A 29 29 PHE H H 29 8.484 9.173 -0.689 1
1 332 . 5 1 1 A 29 29 PHE HA H 29 4.905 4.966 -0.061 1
1 340 . 5 1 1 A 29 29 PHE C C 29 177.349 174.905 2.444 1
1 341 . 5 1 1 A 29 29 PHE CA C 29 57.800 56.840 0.960 1
1 342 . 5 1 1 A 29 29 PHE CB C 29 40.050 40.472 -0.422 1
1 346 . 5 1 1 A 29 29 PHE N N 29 124.513 126.291 -1.778 1
1 347 . 5 1 1 A 30 30 LEU H H 30 8.615 8.904 -0.289 1
1 348 . 5 1 1 A 30 30 LEU HA H 30 4.425 5.057 -0.632 1
1 358 . 5 1 1 A 30 30 LEU C C 30 176.877 175.517 1.360 1
1 359 . 5 1 1 A 30 30 LEU CA C 30 54.180 53.828 0.352 1
1 360 . 5 1 1 A 30 30 LEU CB C 30 42.470 45.136 -2.666 1
1 364 . 5 1 1 A 30 30 LEU N N 30 120.729 122.489 -1.760 1
1 365 . 5 1 1 A 31 31 ALA H H 31 9.109 8.740 0.369 1
1 366 . 5 1 1 A 31 31 ALA HA H 31 4.502 4.700 -0.198 1
1 370 . 5 1 1 A 31 31 ALA C C 31 176.231 176.816 -0.585 1
1 371 . 5 1 1 A 31 31 ALA CA C 31 51.170 52.327 -1.157 1
1 372 . 5 1 1 A 31 31 ALA CB C 31 20.140 18.930 1.210 1
1 373 . 5 1 1 A 31 31 ALA N N 31 126.827 130.267 -3.440 1
1 374 . 5 1 1 A 32 32 GLU H H 32 8.580 8.642 -0.062 1
1 375 . 5 1 1 A 32 32 GLU HA H 32 4.172 4.653 -0.481 1
1 380 . 5 1 1 A 32 32 GLU C C 32 174.736 175.427 -0.691 1
1 381 . 5 1 1 A 32 32 GLU CA C 32 56.140 56.190 -0.050 1
1 382 . 5 1 1 A 32 32 GLU CB C 32 30.540 30.412 0.128 1
1 384 . 5 1 1 A 32 32 GLU N N 32 122.632 126.036 -3.404 1
1 385 . 5 1 1 A 33 33 HIS H H 33 8.596 9.084 -0.488 1
1 386 . 5 1 1 A 33 33 HIS HA H 33 4.816 4.857 -0.041 1
1 390 . 5 1 1 A 33 33 HIS CA C 33 53.900 54.844 -0.944 1
1 391 . 5 1 1 A 33 33 HIS CB C 33 33.160 32.988 0.172 1
1 393 . 5 1 1 A 33 33 HIS N N 33 126.719 124.321 2.398 1
1 394 . 5 1 1 A 34 34 ALA HA H 34 4.011 3.880 0.131 1
1 398 . 5 1 1 A 34 34 ALA C C 34 178.514 179.450 -0.936 1
1 399 . 5 1 1 A 34 34 ALA CA C 34 55.850 54.853 0.997 1
1 400 . 5 1 1 A 34 34 ALA CB C 34 18.060 18.477 -0.417 1
1 401 . 5 1 1 A 35 35 ASP H H 35 8.241 7.957 0.284 1
1 402 . 5 1 1 A 35 35 ASP HA H 35 4.737 4.530 0.207 1
1 405 . 5 1 1 A 35 35 ASP C C 35 177.003 176.482 0.521 1
1 406 . 5 1 1 A 35 35 ASP CA C 35 53.040 56.589 -3.549 1
1 407 . 5 1 1 A 35 35 ASP CB C 35 41.840 41.507 0.333 1
1 408 . 5 1 1 A 35 35 ASP N N 35 108.393 115.841 -7.448 1
1 409 . 5 1 1 A 36 36 ARG H H 36 7.175 7.557 -0.382 1
1 410 . 5 1 1 A 36 36 ARG HA H 36 4.940 4.374 0.566 1
1 417 . 5 1 1 A 36 36 ARG C C 36 171.430 173.127 -1.697 1
1 418 . 5 1 1 A 36 36 ARG CA C 36 54.670 54.899 -0.229 1
1 419 . 5 1 1 A 36 36 ARG CB C 36 31.550 31.971 -0.421 1
1 422 . 5 1 1 A 36 36 ARG N N 36 116.403 113.173 3.230 1
1 423 . 5 1 1 A 37 37 TYR H H 37 9.025 9.248 -0.223 1
1 424 . 5 1 1 A 37 37 TYR HA H 37 5.546 5.632 -0.086 1
1 431 . 5 1 1 A 37 37 TYR C C 37 176.027 174.850 1.177 1
1 432 . 5 1 1 A 37 37 TYR CA C 37 56.400 57.045 -0.645 1
1 433 . 5 1 1 A 37 37 TYR CB C 37 41.830 40.654 1.176 1
1 436 . 5 1 1 A 37 37 TYR N N 37 118.099 118.809 -0.710 1
1 437 . 5 1 1 A 38 38 SER H H 38 9.208 9.150 0.058 1
1 438 . 5 1 1 A 38 38 SER HA H 38 5.675 5.436 0.239 1
1 441 . 5 1 1 A 38 38 SER C C 38 172.862 172.579 0.283 1
1 442 . 5 1 1 A 38 38 SER CA C 38 57.200 56.526 0.674 1
1 443 . 5 1 1 A 38 38 SER CB C 38 67.430 66.582 0.848 1
1 444 . 5 1 1 A 38 38 SER N N 38 114.608 116.363 -1.755 1
1 445 . 5 1 1 A 39 39 CYS H H 39 9.403 8.365 1.038 1
1 446 . 5 1 1 A 39 39 CYS HA H 39 4.781 4.938 -0.157 1
1 449 . 5 1 1 A 39 39 CYS C C 39 177.931 174.446 3.485 1
1 450 . 5 1 1 A 39 39 CYS CA C 39 58.680 57.756 0.924 1
1 451 . 5 1 1 A 39 39 CYS CB C 39 32.710 31.307 1.403 1
1 452 . 5 1 1 A 39 39 CYS N N 39 127.346 122.331 5.015 1
1 453 . 5 1 1 A 40 40 GLY H H 40 9.147 8.518 0.629 1
1 454 . 5 1 1 A 40 40 GLY HA2 H 40 4.053 3.990 0.063 1
1 455 . 5 1 1 A 40 40 GLY HA3 H 40 3.875 4.014 -0.139 1
1 456 . 5 1 1 A 40 40 GLY C C 40 173.602 175.053 -1.451 1
1 457 . 5 1 1 A 40 40 GLY CA C 40 46.270 44.646 1.624 1
1 458 . 5 1 1 A 40 40 GLY N N 40 119.366 114.472 4.894 1
1 459 . 5 1 1 A 41 41 ARG H H 41 9.279 8.768 0.511 1
1 460 . 5 1 1 A 41 41 ARG HA H 41 4.362 3.894 0.468 1
1 467 . 5 1 1 A 41 41 ARG C C 41 177.601 175.943 1.658 1
1 468 . 5 1 1 A 41 41 ARG CA C 41 58.200 58.456 -0.256 1
1 469 . 5 1 1 A 41 41 ARG CB C 41 30.980 27.975 3.005 1
1 472 . 5 1 1 A 41 41 ARG N N 41 123.467 116.725 6.742 1
1 473 . 5 1 1 A 42 42 CYS H H 42 8.759 8.192 0.567 1
1 474 . 5 1 1 A 42 42 CYS HA H 42 4.944 4.604 0.340 1
1 477 . 5 1 1 A 42 42 CYS C C 42 177.160 175.814 1.346 1
1 478 . 5 1 1 A 42 42 CYS CA C 42 58.390 58.389 0.001 1
1 479 . 5 1 1 A 42 42 CYS CB C 42 33.600 29.558 4.042 1
1 480 . 5 1 1 A 42 42 CYS N N 42 118.328 114.041 4.287 1
1 481 . 5 1 1 A 43 43 GLY H H 43 7.686 8.009 -0.323 1
1 482 . 5 1 1 A 43 43 GLY HA2 H 43 4.251 3.933 0.318 1
1 483 . 5 1 1 A 43 43 GLY HA3 H 43 3.782 3.936 -0.154 1
1 484 . 5 1 1 A 43 43 GLY C C 43 174.122 174.108 0.014 1
1 485 . 5 1 1 A 43 43 GLY CA C 43 46.100 46.258 -0.158 1
1 486 . 5 1 1 A 43 43 GLY N N 43 112.843 111.185 1.658 1
1 487 . 5 1 1 A 44 44 TYR H H 44 9.285 8.133 1.152 1
1 488 . 5 1 1 A 44 44 TYR HA H 44 4.109 4.387 -0.278 1
1 495 . 5 1 1 A 44 44 TYR C C 44 174.248 175.039 -0.791 1
1 496 . 5 1 1 A 44 44 TYR CA C 44 60.680 58.345 2.335 1
1 497 . 5 1 1 A 44 44 TYR CB C 44 39.840 38.703 1.137 1
1 500 . 5 1 1 A 44 44 TYR N N 44 127.411 121.607 5.804 1
1 501 . 5 1 1 A 45 45 THR H H 45 7.572 8.618 -1.046 1
1 502 . 5 1 1 A 45 45 THR HA H 45 4.763 5.173 -0.410 1
1 507 . 5 1 1 A 45 45 THR C C 45 171.635 172.582 -0.947 1
1 508 . 5 1 1 A 45 45 THR CA C 45 60.820 61.114 -0.294 1
1 509 . 5 1 1 A 45 45 THR CB C 45 72.660 71.002 1.658 1
1 511 . 5 1 1 A 45 45 THR N N 45 122.481 123.920 -1.439 1
1 512 . 5 1 1 A 46 46 GLU H H 46 8.456 8.868 -0.412 1
1 513 . 5 1 1 A 46 46 GLU HA H 46 4.430 4.909 -0.479 1
1 518 . 5 1 1 A 46 46 GLU C C 46 175.240 175.944 -0.704 1
1 519 . 5 1 1 A 46 46 GLU CA C 46 54.100 54.431 -0.331 1
1 520 . 5 1 1 A 46 46 GLU CB C 46 33.180 33.210 -0.030 1
1 522 . 5 1 1 A 46 46 GLU N N 46 124.924 128.122 -3.198 1
1 523 . 5 1 1 A 47 47 PHE H H 47 9.084 9.164 -0.080 1
1 524 . 5 1 1 A 47 47 PHE HA H 47 4.417 4.685 -0.268 1
1 529 . 5 1 1 A 47 47 PHE C C 47 176.987 175.792 1.195 1
1 530 . 5 1 1 A 47 47 PHE CA C 47 59.920 58.249 1.671 1
1 531 . 5 1 1 A 47 47 PHE CB C 47 39.420 39.837 -0.417 1
1 533 . 5 1 1 A 47 47 PHE N N 47 125.357 125.558 -0.201 1
1 534 . 5 1 1 A 48 48 LYS H H 48 8.082 8.244 -0.162 1
1 535 . 5 1 1 A 48 48 LYS HA H 48 4.233 4.505 -0.272 1
1 544 . 5 1 1 A 48 48 LYS C C 48 176.278 175.922 0.356 1
1 545 . 5 1 1 A 48 48 LYS CA C 48 57.670 56.296 1.374 1
1 546 . 5 1 1 A 48 48 LYS CB C 48 33.900 31.282 2.618 1
1 550 . 5 1 1 A 48 48 LYS N N 48 122.654 122.215 0.439 1
1 551 . 5 1 1 A 49 49 LYS H H 49 8.475 7.951 0.524 1
1 552 . 5 1 1 A 49 49 LYS HA H 49 4.299 5.125 -0.826 1
1 561 . 5 1 1 A 49 49 LYS C C 49 175.979 175.821 0.158 1
1 562 . 5 1 1 A 49 49 LYS CA C 49 56.100 54.610 1.490 1
1 563 . 5 1 1 A 49 49 LYS CB C 49 33.090 35.800 -2.710 1
1 567 . 5 1 1 A 49 49 LYS N N 49 121.521 122.543 -1.022 1
1 568 . 5 1 1 A 50 50 ALA H H 50 8.250 8.318 -0.068 1
1 569 . 5 1 1 A 50 50 ALA HA H 50 4.264 4.726 -0.462 1
1 573 . 5 1 1 A 50 50 ALA C C 50 177.617 177.682 -0.065 1
1 574 . 5 1 1 A 50 50 ALA CA C 50 52.490 51.427 1.063 1
1 575 . 5 1 1 A 50 50 ALA CB C 50 19.420 19.044 0.376 1
1 576 . 5 1 1 A 50 50 ALA N N 50 125.681 121.292 4.389 1
1 577 . 5 1 1 A 51 51 LYS H H 51 8.279 8.128 0.151 1
1 578 . 5 1 1 A 51 51 LYS HA H 51 4.296 3.860 0.436 1
1 585 . 5 1 1 A 51 51 LYS C C 51 176.562 176.244 0.318 1
1 586 . 5 1 1 A 51 51 LYS CA C 51 56.300 57.632 -1.332 1
1 587 . 5 1 1 A 51 51 LYS CB C 51 33.090 31.462 1.628 1
1 591 . 5 1 1 A 51 51 LYS N N 51 121.304 117.298 4.006 1
1 592 . 5 1 1 A 52 52 LYS H H 52 8.312 7.860 0.452 1
1 593 . 5 1 1 A 52 52 LYS HA H 52 4.298 4.473 -0.175 1
1 598 . 5 1 1 A 52 52 LYS C C 52 176.530 175.525 1.005 1
1 599 . 5 1 1 A 52 52 LYS CA C 52 56.140 56.390 -0.250 1
1 600 . 5 1 1 A 52 52 LYS CB C 52 33.180 32.944 0.236 1
1 603 . 5 1 1 A 52 52 LYS N N 52 123.129 119.138 3.991 1
1 604 . 5 1 1 A 53 53 SER H H 53 8.309 8.663 -0.354 1
1 605 . 5 1 1 A 53 53 SER HA H 53 4.399 5.097 -0.698 1
1 608 . 5 1 1 A 53 53 SER C C 53 174.531 173.148 1.383 1
1 609 . 5 1 1 A 53 53 SER CA C 53 58.140 57.531 0.609 1
1 610 . 5 1 1 A 53 53 SER CB C 53 63.780 65.094 -1.314 1
1 611 . 5 1 1 A 53 53 SER N N 53 117.625 118.035 -0.410 1
1 612 . 5 1 1 A 54 54 LYS H H 54 8.409 8.721 -0.312 1
1 613 . 5 1 1 A 54 54 LYS HA H 54 4.338 4.743 -0.405 1
1 618 . 5 1 1 A 54 54 LYS CA C 54 56.650 55.500 1.150 1
1 619 . 5 1 1 A 54 54 LYS CB C 54 32.920 33.172 -0.252 1
1 621 . 5 1 1 A 54 54 LYS N N 54 123.196 126.655 -3.459 1
1 16 . 6 1 1 A 2 2 GLN H H 2 8.326 8.623 -0.297 1
1 17 . 6 1 1 A 2 2 GLN HA H 2 4.252 4.359 -0.107 1
1 18 . 6 1 1 A 2 2 GLN CA C 2 55.970 55.012 0.958 1
1 19 . 6 1 1 A 2 2 GLN CB C 2 29.990 26.962 3.028 1
1 20 . 6 1 1 A 2 2 GLN N N 2 123.332 124.070 -0.738 1
1 21 . 6 1 1 A 3 3 LYS HA H 3 4.229 4.786 -0.557 1
1 22 . 6 1 1 A 3 3 LYS C C 3 176.404 175.881 0.523 1
1 23 . 6 1 1 A 3 3 LYS CA C 3 56.570 54.813 1.757 1
1 24 . 6 1 1 A 3 3 LYS CB C 3 32.880 36.577 -3.697 1
1 25 . 6 1 1 A 4 4 ARG H H 4 8.303 8.628 -0.325 1
1 26 . 6 1 1 A 4 4 ARG HA H 4 4.237 4.237 0.000 1
1 33 . 6 1 1 A 4 4 ARG C C 4 176.656 175.906 0.750 1
1 34 . 6 1 1 A 4 4 ARG CA C 4 56.420 56.130 0.290 1
1 35 . 6 1 1 A 4 4 ARG CB C 4 30.910 29.184 1.726 1
1 38 . 6 1 1 A 4 4 ARG N N 4 122.770 121.066 1.704 1
1 39 . 6 1 1 A 5 5 GLU H H 5 8.472 8.720 -0.248 1
1 40 . 6 1 1 A 5 5 GLU HA H 5 4.201 4.371 -0.170 1
1 45 . 6 1 1 A 5 5 GLU C C 5 176.137 176.726 -0.589 1
1 46 . 6 1 1 A 5 5 GLU CA C 5 56.650 58.210 -1.560 1
1 47 . 6 1 1 A 5 5 GLU CB C 5 30.400 30.849 -0.449 1
1 49 . 6 1 1 A 5 5 GLU N N 5 121.724 124.635 -2.911 1
1 50 . 6 1 1 A 6 6 LEU H H 6 8.127 7.517 0.610 1
1 51 . 6 1 1 A 6 6 LEU HA H 6 4.200 4.528 -0.328 1
1 61 . 6 1 1 A 6 6 LEU C C 6 176.782 173.858 2.924 1
1 62 . 6 1 1 A 6 6 LEU CA C 6 55.200 53.923 1.277 1
1 63 . 6 1 1 A 6 6 LEU CB C 6 42.520 44.413 -1.893 1
1 67 . 6 1 1 A 6 6 LEU N N 6 122.169 115.560 6.609 1
1 68 . 6 1 1 A 7 7 TYR H H 7 7.943 8.702 -0.759 1
1 69 . 6 1 1 A 7 7 TYR HA H 7 4.636 5.038 -0.402 1
1 76 . 6 1 1 A 7 7 TYR C C 7 175.350 175.005 0.345 1
1 77 . 6 1 1 A 7 7 TYR CA C 7 57.420 56.348 1.072 1
1 78 . 6 1 1 A 7 7 TYR CB C 7 39.370 39.997 -0.627 1
1 81 . 6 1 1 A 7 7 TYR N N 7 119.193 118.066 1.127 1
1 82 . 6 1 1 A 8 8 GLU H H 8 8.314 8.951 -0.637 1
1 83 . 6 1 1 A 8 8 GLU HA H 8 4.314 5.252 -0.938 1
1 88 . 6 1 1 A 8 8 GLU C C 8 175.665 175.568 0.097 1
1 89 . 6 1 1 A 8 8 GLU CA C 8 55.880 55.161 0.719 1
1 90 . 6 1 1 A 8 8 GLU CB C 8 31.100 31.744 -0.644 1
1 92 . 6 1 1 A 8 8 GLU N N 8 121.754 122.372 -0.618 1
1 93 . 6 1 1 A 9 9 ILE H H 9 8.116 8.926 -0.810 1
1 94 . 6 1 1 A 9 9 ILE HA H 9 4.204 4.892 -0.688 1
1 104 . 6 1 1 A 9 9 ILE C C 9 176.058 173.982 2.076 1
1 105 . 6 1 1 A 9 9 ILE CA C 9 60.640 59.169 1.471 1
1 106 . 6 1 1 A 9 9 ILE CB C 9 38.440 41.233 -2.793 1
1 110 . 6 1 1 A 9 9 ILE N N 9 121.966 120.825 1.141 1
1 111 . 6 1 1 A 10 10 ALA H H 10 8.472 8.877 -0.405 1
1 112 . 6 1 1 A 10 10 ALA HA H 10 4.342 4.760 -0.418 1
1 116 . 6 1 1 A 10 10 ALA C C 10 177.286 177.025 0.261 1
1 117 . 6 1 1 A 10 10 ALA CA C 10 52.450 51.333 1.117 1
1 118 . 6 1 1 A 10 10 ALA CB C 10 19.420 19.620 -0.200 1
1 119 . 6 1 1 A 10 10 ALA N N 10 128.558 129.152 -0.594 1
1 120 . 6 1 1 A 11 11 ASP H H 11 8.423 8.801 -0.378 1
1 121 . 6 1 1 A 11 11 ASP HA H 11 4.423 4.784 -0.361 1
1 124 . 6 1 1 A 11 11 ASP C C 11 176.798 176.760 0.038 1
1 125 . 6 1 1 A 11 11 ASP CA C 11 54.780 53.711 1.069 1
1 126 . 6 1 1 A 11 11 ASP CB C 11 40.900 42.088 -1.188 1
1 127 . 6 1 1 A 11 11 ASP N N 11 120.945 122.779 -1.834 1
1 128 . 6 1 1 A 12 12 GLY H H 12 8.263 8.568 -0.305 1
1 129 . 6 1 1 A 12 12 GLY HA2 H 12 3.928 3.943 -0.015 1
1 130 . 6 1 1 A 12 12 GLY HA3 H 12 3.765 3.943 -0.178 1
1 131 . 6 1 1 A 12 12 GLY C C 12 174.326 174.616 -0.290 1
1 132 . 6 1 1 A 12 12 GLY CA C 12 45.630 45.024 0.606 1
1 133 . 6 1 1 A 12 12 GLY N N 12 107.572 110.199 -2.627 1
1 134 . 6 1 1 A 13 13 LYS H H 13 7.974 8.481 -0.507 1
1 135 . 6 1 1 A 13 13 LYS HA H 13 4.286 4.057 0.229 1
1 144 . 6 1 1 A 13 13 LYS C C 13 176.105 175.943 0.162 1
1 145 . 6 1 1 A 13 13 LYS CA C 13 55.970 56.911 -0.941 1
1 146 . 6 1 1 A 13 13 LYS CB C 13 33.000 31.029 1.971 1
1 150 . 6 1 1 A 13 13 LYS N N 13 120.339 120.899 -0.560 1
1 151 . 6 1 1 A 14 14 LEU H H 14 8.103 8.277 -0.174 1
1 152 . 6 1 1 A 14 14 LEU HA H 14 4.355 4.509 -0.154 1
1 162 . 6 1 1 A 14 14 LEU C C 14 177.050 175.968 1.082 1
1 163 . 6 1 1 A 14 14 LEU CA C 14 54.990 54.201 0.789 1
1 164 . 6 1 1 A 14 14 LEU CB C 14 42.180 41.398 0.782 1
1 168 . 6 1 1 A 14 14 LEU N N 14 122.169 123.990 -1.821 1
1 169 . 6 1 1 A 15 15 VAL H H 15 8.236 8.093 0.143 1
1 170 . 6 1 1 A 15 15 VAL HA H 15 4.090 4.516 -0.426 1
1 178 . 6 1 1 A 15 15 VAL C C 15 175.680 175.732 -0.052 1
1 179 . 6 1 1 A 15 15 VAL CA C 15 62.000 61.438 0.562 1
1 180 . 6 1 1 A 15 15 VAL CB C 15 33.050 32.697 0.353 1
1 182 . 6 1 1 A 15 15 VAL N N 15 122.264 121.907 0.357 1
1 183 . 6 1 1 A 16 16 ARG H H 16 8.293 8.662 -0.369 1
1 184 . 6 1 1 A 16 16 ARG HA H 16 4.187 4.618 -0.431 1
1 191 . 6 1 1 A 16 16 ARG C C 16 175.822 176.497 -0.675 1
1 192 . 6 1 1 A 16 16 ARG CA C 16 55.820 53.640 2.180 1
1 193 . 6 1 1 A 16 16 ARG CB C 16 30.820 32.942 -2.122 1
1 196 . 6 1 1 A 16 16 ARG N N 16 124.903 125.516 -0.613 1
1 197 . 6 1 1 A 17 17 LYS H H 17 8.239 8.955 -0.716 1
1 198 . 6 1 1 A 17 17 LYS HA H 17 4.130 3.886 0.244 1
1 207 . 6 1 1 A 17 17 LYS C C 17 175.995 176.909 -0.914 1
1 208 . 6 1 1 A 17 17 LYS CA C 17 56.270 58.962 -2.692 1
1 209 . 6 1 1 A 17 17 LYS CB C 17 33.130 32.564 0.566 1
1 213 . 6 1 1 A 17 17 LYS N N 17 123.108 122.872 0.236 1
1 214 . 6 1 1 A 18 18 HIS H H 18 8.067 7.925 0.142 1
1 215 . 6 1 1 A 18 18 HIS HA H 18 4.572 4.609 -0.037 1
1 218 . 6 1 1 A 18 18 HIS C C 18 174.736 173.267 1.469 1
1 219 . 6 1 1 A 18 18 HIS CA C 18 55.460 57.680 -2.220 1
1 220 . 6 1 1 A 18 18 HIS CB C 18 31.390 28.394 2.996 1
1 221 . 6 1 1 A 18 18 HIS N N 18 120.275 115.620 4.655 1
1 222 . 6 1 1 A 19 19 ARG H H 19 8.767 8.962 -0.195 1
1 223 . 6 1 1 A 19 19 ARG HA H 19 4.254 4.936 -0.682 1
1 230 . 6 1 1 A 19 19 ARG C C 19 175.790 174.493 1.297 1
1 231 . 6 1 1 A 19 19 ARG CA C 19 55.480 54.327 1.153 1
1 232 . 6 1 1 A 19 19 ARG CB C 19 32.050 34.771 -2.721 1
1 235 . 6 1 1 A 19 19 ARG N N 19 122.186 120.324 1.862 1
1 236 . 6 1 1 A 20 20 PHE H H 20 7.866 9.060 -1.194 1
1 237 . 6 1 1 A 20 20 PHE HA H 20 5.296 4.979 0.317 1
1 245 . 6 1 1 A 20 20 PHE C C 20 174.673 175.328 -0.655 1
1 246 . 6 1 1 A 20 20 PHE CA C 20 54.520 57.368 -2.848 1
1 247 . 6 1 1 A 20 20 PHE CB C 20 40.050 40.599 -0.549 1
1 251 . 6 1 1 A 20 20 PHE N N 20 120.369 120.395 -0.026 1
1 252 . 6 1 1 A 21 21 CYS H H 21 8.557 8.513 0.044 1
1 253 . 6 1 1 A 21 21 CYS HA H 21 4.062 4.309 -0.247 1
1 256 . 6 1 1 A 21 21 CYS CA C 21 56.880 57.508 -0.628 1
1 257 . 6 1 1 A 21 21 CYS CB C 21 30.710 28.378 2.332 1
1 258 . 6 1 1 A 21 21 CYS N N 21 123.994 123.042 0.952 1
1 259 . 6 1 1 A 22 22 PRO HA H 22 4.211 4.286 -0.075 1
1 266 . 6 1 1 A 22 22 PRO C C 22 177.475 178.446 -0.971 1
1 267 . 6 1 1 A 22 22 PRO CA C 22 64.260 65.535 -1.275 1
1 268 . 6 1 1 A 22 22 PRO CB C 22 31.730 31.821 -0.091 1
1 271 . 6 1 1 A 23 23 ARG H H 23 8.569 8.250 0.319 1
1 272 . 6 1 1 A 23 23 ARG HA H 23 4.223 4.256 -0.033 1
1 279 . 6 1 1 A 23 23 ARG C C 23 178.246 178.299 -0.053 1
1 280 . 6 1 1 A 23 23 ARG CA C 23 58.030 58.536 -0.506 1
1 281 . 6 1 1 A 23 23 ARG CB C 23 31.240 31.286 -0.046 1
1 284 . 6 1 1 A 23 23 ARG N N 23 121.075 117.756 3.319 1
1 285 . 6 1 1 A 24 24 CYS H H 24 9.550 8.322 1.228 1
1 286 . 6 1 1 A 24 24 CYS HA H 24 3.872 4.472 -0.600 1
1 289 . 6 1 1 A 24 24 CYS C C 24 177.302 176.181 1.121 1
1 290 . 6 1 1 A 24 24 CYS CA C 24 63.060 60.972 2.088 1
1 291 . 6 1 1 A 24 24 CYS CB C 24 30.120 27.335 2.785 1
1 292 . 6 1 1 A 24 24 CYS N N 24 123.692 118.601 5.091 1
1 293 . 6 1 1 A 25 25 GLY H H 25 8.166 8.187 -0.021 1
1 294 . 6 1 1 A 25 25 GLY HA2 H 25 4.142 3.840 0.302 1
1 295 . 6 1 1 A 25 25 GLY HA3 H 25 3.623 3.936 -0.313 1
1 296 . 6 1 1 A 25 25 GLY CA C 25 44.640 48.081 -3.441 1
1 297 . 6 1 1 A 25 25 GLY N N 25 107.593 109.388 -1.795 1
1 298 . 6 1 1 A 26 26 PRO HA H 26 2.807 4.218 -1.411 1
1 305 . 6 1 1 A 26 26 PRO C C 26 176.940 177.592 -0.652 1
1 306 . 6 1 1 A 26 26 PRO CA C 26 63.060 63.826 -0.766 1
1 307 . 6 1 1 A 26 26 PRO CB C 26 31.650 31.235 0.415 1
1 310 . 6 1 1 A 27 27 GLY H H 27 6.847 8.590 -1.743 1
1 311 . 6 1 1 A 27 27 GLY HA2 H 27 3.800 3.915 -0.115 1
1 312 . 6 1 1 A 27 27 GLY HA3 H 27 3.334 3.948 -0.614 1
1 313 . 6 1 1 A 27 27 GLY C C 27 172.705 173.775 -1.070 1
1 314 . 6 1 1 A 27 27 GLY CA C 27 44.400 45.305 -0.905 1
1 315 . 6 1 1 A 27 27 GLY N N 27 108.726 112.989 -4.263 1
1 316 . 6 1 1 A 28 28 VAL H H 28 7.416 7.723 -0.307 1
1 317 . 6 1 1 A 28 28 VAL HA H 28 3.964 4.179 -0.215 1
1 325 . 6 1 1 A 28 28 VAL C C 28 174.626 175.577 -0.951 1
1 326 . 6 1 1 A 28 28 VAL CA C 28 62.040 61.549 0.491 1
1 327 . 6 1 1 A 28 28 VAL CB C 28 32.080 33.114 -1.034 1
1 330 . 6 1 1 A 28 28 VAL N N 28 123.159 122.001 1.158 1
1 331 . 6 1 1 A 29 29 PHE H H 29 8.484 8.772 -0.288 1
1 332 . 6 1 1 A 29 29 PHE HA H 29 4.905 4.828 0.077 1
1 340 . 6 1 1 A 29 29 PHE C C 29 177.349 174.552 2.797 1
1 341 . 6 1 1 A 29 29 PHE CA C 29 57.800 56.562 1.238 1
1 342 . 6 1 1 A 29 29 PHE CB C 29 40.050 40.251 -0.201 1
1 346 . 6 1 1 A 29 29 PHE N N 29 124.513 126.324 -1.811 1
1 347 . 6 1 1 A 30 30 LEU H H 30 8.615 8.716 -0.101 1
1 348 . 6 1 1 A 30 30 LEU HA H 30 4.425 4.980 -0.555 1
1 358 . 6 1 1 A 30 30 LEU C C 30 176.877 175.682 1.195 1
1 359 . 6 1 1 A 30 30 LEU CA C 30 54.180 53.846 0.334 1
1 360 . 6 1 1 A 30 30 LEU CB C 30 42.470 45.152 -2.682 1
1 364 . 6 1 1 A 30 30 LEU N N 30 120.729 121.623 -0.894 1
1 365 . 6 1 1 A 31 31 ALA H H 31 9.109 8.542 0.567 1
1 366 . 6 1 1 A 31 31 ALA HA H 31 4.502 4.511 -0.009 1
1 370 . 6 1 1 A 31 31 ALA C C 31 176.231 176.704 -0.473 1
1 371 . 6 1 1 A 31 31 ALA CA C 31 51.170 52.747 -1.577 1
1 372 . 6 1 1 A 31 31 ALA CB C 31 20.140 18.902 1.238 1
1 373 . 6 1 1 A 31 31 ALA N N 31 126.827 130.401 -3.574 1
1 374 . 6 1 1 A 32 32 GLU H H 32 8.580 8.800 -0.220 1
1 375 . 6 1 1 A 32 32 GLU HA H 32 4.172 4.638 -0.466 1
1 380 . 6 1 1 A 32 32 GLU C C 32 174.736 175.357 -0.621 1
1 381 . 6 1 1 A 32 32 GLU CA C 32 56.140 55.536 0.604 1
1 382 . 6 1 1 A 32 32 GLU CB C 32 30.540 30.550 -0.010 1
1 384 . 6 1 1 A 32 32 GLU N N 32 122.632 125.333 -2.701 1
1 385 . 6 1 1 A 33 33 HIS H H 33 8.596 8.995 -0.399 1
1 386 . 6 1 1 A 33 33 HIS HA H 33 4.816 4.950 -0.134 1
1 390 . 6 1 1 A 33 33 HIS CA C 33 53.900 55.088 -1.188 1
1 391 . 6 1 1 A 33 33 HIS CB C 33 33.160 31.979 1.181 1
1 393 . 6 1 1 A 33 33 HIS N N 33 126.719 124.432 2.287 1
1 394 . 6 1 1 A 34 34 ALA HA H 34 4.011 3.909 0.102 1
1 398 . 6 1 1 A 34 34 ALA C C 34 178.514 179.204 -0.690 1
1 399 . 6 1 1 A 34 34 ALA CA C 34 55.850 54.868 0.982 1
1 400 . 6 1 1 A 34 34 ALA CB C 34 18.060 18.457 -0.397 1
1 401 . 6 1 1 A 35 35 ASP H H 35 8.241 8.010 0.231 1
1 402 . 6 1 1 A 35 35 ASP HA H 35 4.737 4.591 0.146 1
1 405 . 6 1 1 A 35 35 ASP C C 35 177.003 176.424 0.579 1
1 406 . 6 1 1 A 35 35 ASP CA C 35 53.040 56.611 -3.571 1
1 407 . 6 1 1 A 35 35 ASP CB C 35 41.840 41.811 0.029 1
1 408 . 6 1 1 A 35 35 ASP N N 35 108.393 115.830 -7.437 1
1 409 . 6 1 1 A 36 36 ARG H H 36 7.175 7.625 -0.450 1
1 410 . 6 1 1 A 36 36 ARG HA H 36 4.940 4.460 0.480 1
1 417 . 6 1 1 A 36 36 ARG C C 36 171.430 173.433 -2.003 1
1 418 . 6 1 1 A 36 36 ARG CA C 36 54.670 54.982 -0.312 1
1 419 . 6 1 1 A 36 36 ARG CB C 36 31.550 32.042 -0.492 1
1 422 . 6 1 1 A 36 36 ARG N N 36 116.403 113.363 3.040 1
1 423 . 6 1 1 A 37 37 TYR H H 37 9.025 9.347 -0.322 1
1 424 . 6 1 1 A 37 37 TYR HA H 37 5.546 5.596 -0.050 1
1 431 . 6 1 1 A 37 37 TYR C C 37 176.027 175.318 0.709 1
1 432 . 6 1 1 A 37 37 TYR CA C 37 56.400 57.256 -0.856 1
1 433 . 6 1 1 A 37 37 TYR CB C 37 41.830 41.222 0.608 1
1 436 . 6 1 1 A 37 37 TYR N N 37 118.099 118.511 -0.412 1
1 437 . 6 1 1 A 38 38 SER H H 38 9.208 8.995 0.213 1
1 438 . 6 1 1 A 38 38 SER HA H 38 5.675 5.534 0.141 1
1 441 . 6 1 1 A 38 38 SER C C 38 172.862 172.594 0.268 1
1 442 . 6 1 1 A 38 38 SER CA C 38 57.200 56.688 0.512 1
1 443 . 6 1 1 A 38 38 SER CB C 38 67.430 65.672 1.758 1
1 444 . 6 1 1 A 38 38 SER N N 38 114.608 115.801 -1.193 1
1 445 . 6 1 1 A 39 39 CYS H H 39 9.403 8.531 0.872 1
1 446 . 6 1 1 A 39 39 CYS HA H 39 4.781 4.851 -0.070 1
1 449 . 6 1 1 A 39 39 CYS C C 39 177.931 173.429 4.502 1
1 450 . 6 1 1 A 39 39 CYS CA C 39 58.680 58.227 0.453 1
1 451 . 6 1 1 A 39 39 CYS CB C 39 32.710 28.770 3.940 1
1 452 . 6 1 1 A 39 39 CYS N N 39 127.346 123.159 4.187 1
1 453 . 6 1 1 A 40 40 GLY H H 40 9.147 8.765 0.382 1
1 454 . 6 1 1 A 40 40 GLY HA2 H 40 4.053 3.955 0.098 1
1 455 . 6 1 1 A 40 40 GLY HA3 H 40 3.875 3.965 -0.090 1
1 456 . 6 1 1 A 40 40 GLY C C 40 173.602 174.164 -0.562 1
1 457 . 6 1 1 A 40 40 GLY CA C 40 46.270 47.071 -0.801 1
1 458 . 6 1 1 A 40 40 GLY N N 40 119.366 114.812 4.554 1
1 459 . 6 1 1 A 41 41 ARG H H 41 9.279 8.443 0.836 1
1 460 . 6 1 1 A 41 41 ARG HA H 41 4.362 4.592 -0.230 1
1 467 . 6 1 1 A 41 41 ARG C C 41 177.601 176.974 0.627 1
1 468 . 6 1 1 A 41 41 ARG CA C 41 58.200 57.117 1.083 1
1 469 . 6 1 1 A 41 41 ARG CB C 41 30.980 33.551 -2.571 1
1 472 . 6 1 1 A 41 41 ARG N N 41 123.467 124.331 -0.864 1
1 473 . 6 1 1 A 42 42 CYS H H 42 8.759 7.840 0.919 1
1 474 . 6 1 1 A 42 42 CYS HA H 42 4.944 4.576 0.368 1
1 477 . 6 1 1 A 42 42 CYS C C 42 177.160 175.558 1.602 1
1 478 . 6 1 1 A 42 42 CYS CA C 42 58.390 58.573 -0.183 1
1 479 . 6 1 1 A 42 42 CYS CB C 42 33.600 29.417 4.183 1
1 480 . 6 1 1 A 42 42 CYS N N 42 118.328 115.399 2.929 1
1 481 . 6 1 1 A 43 43 GLY H H 43 7.686 8.207 -0.521 1
1 482 . 6 1 1 A 43 43 GLY HA2 H 43 4.251 3.911 0.340 1
1 483 . 6 1 1 A 43 43 GLY HA3 H 43 3.782 3.916 -0.134 1
1 484 . 6 1 1 A 43 43 GLY C C 43 174.122 174.094 0.028 1
1 485 . 6 1 1 A 43 43 GLY CA C 43 46.100 46.149 -0.049 1
1 486 . 6 1 1 A 43 43 GLY N N 43 112.843 111.445 1.398 1
1 487 . 6 1 1 A 44 44 TYR H H 44 9.285 8.109 1.176 1
1 488 . 6 1 1 A 44 44 TYR HA H 44 4.109 4.359 -0.250 1
1 495 . 6 1 1 A 44 44 TYR C C 44 174.248 174.956 -0.708 1
1 496 . 6 1 1 A 44 44 TYR CA C 44 60.680 58.395 2.285 1
1 497 . 6 1 1 A 44 44 TYR CB C 44 39.840 38.735 1.105 1
1 500 . 6 1 1 A 44 44 TYR N N 44 127.411 121.728 5.683 1
1 501 . 6 1 1 A 45 45 THR H H 45 7.572 8.513 -0.941 1
1 502 . 6 1 1 A 45 45 THR HA H 45 4.763 5.244 -0.481 1
1 507 . 6 1 1 A 45 45 THR C C 45 171.635 172.976 -1.341 1
1 508 . 6 1 1 A 45 45 THR CA C 45 60.820 60.553 0.267 1
1 509 . 6 1 1 A 45 45 THR CB C 45 72.660 71.405 1.255 1
1 511 . 6 1 1 A 45 45 THR N N 45 122.481 124.295 -1.814 1
1 512 . 6 1 1 A 46 46 GLU H H 46 8.456 8.536 -0.080 1
1 513 . 6 1 1 A 46 46 GLU HA H 46 4.430 4.572 -0.142 1
1 518 . 6 1 1 A 46 46 GLU C C 46 175.240 175.538 -0.298 1
1 519 . 6 1 1 A 46 46 GLU CA C 46 54.100 55.195 -1.095 1
1 520 . 6 1 1 A 46 46 GLU CB C 46 33.180 33.633 -0.453 1
1 522 . 6 1 1 A 46 46 GLU N N 46 124.924 127.091 -2.167 1
1 523 . 6 1 1 A 47 47 PHE H H 47 9.084 8.708 0.376 1
1 524 . 6 1 1 A 47 47 PHE HA H 47 4.417 4.638 -0.221 1
1 529 . 6 1 1 A 47 47 PHE C C 47 176.987 175.768 1.219 1
1 530 . 6 1 1 A 47 47 PHE CA C 47 59.920 59.340 0.580 1
1 531 . 6 1 1 A 47 47 PHE CB C 47 39.420 39.636 -0.216 1
1 533 . 6 1 1 A 47 47 PHE N N 47 125.357 125.833 -0.476 1
1 534 . 6 1 1 A 48 48 LYS H H 48 8.082 8.256 -0.174 1
1 535 . 6 1 1 A 48 48 LYS HA H 48 4.233 4.522 -0.289 1
1 544 . 6 1 1 A 48 48 LYS C C 48 176.278 175.545 0.733 1
1 545 . 6 1 1 A 48 48 LYS CA C 48 57.670 55.716 1.954 1
1 546 . 6 1 1 A 48 48 LYS CB C 48 33.900 30.902 2.998 1
1 550 . 6 1 1 A 48 48 LYS N N 48 122.654 122.626 0.028 1
1 551 . 6 1 1 A 49 49 LYS H H 49 8.475 8.688 -0.213 1
1 552 . 6 1 1 A 49 49 LYS HA H 49 4.299 4.473 -0.174 1
1 561 . 6 1 1 A 49 49 LYS C C 49 175.979 176.099 -0.120 1
1 562 . 6 1 1 A 49 49 LYS CA C 49 56.100 55.712 0.388 1
1 563 . 6 1 1 A 49 49 LYS CB C 49 33.090 33.910 -0.820 1
1 567 . 6 1 1 A 49 49 LYS N N 49 121.521 125.193 -3.672 1
1 568 . 6 1 1 A 50 50 ALA H H 50 8.250 8.738 -0.488 1
1 569 . 6 1 1 A 50 50 ALA HA H 50 4.264 4.334 -0.070 1
1 573 . 6 1 1 A 50 50 ALA C C 50 177.617 177.464 0.153 1
1 574 . 6 1 1 A 50 50 ALA CA C 50 52.490 51.389 1.101 1
1 575 . 6 1 1 A 50 50 ALA CB C 50 19.420 17.502 1.918 1
1 576 . 6 1 1 A 50 50 ALA N N 50 125.681 127.362 -1.681 1
1 577 . 6 1 1 A 51 51 LYS H H 51 8.279 8.777 -0.498 1
1 578 . 6 1 1 A 51 51 LYS HA H 51 4.296 4.146 0.150 1
1 585 . 6 1 1 A 51 51 LYS C C 51 176.562 176.466 0.096 1
1 586 . 6 1 1 A 51 51 LYS CA C 51 56.300 58.064 -1.764 1
1 587 . 6 1 1 A 51 51 LYS CB C 51 33.090 33.338 -0.248 1
1 591 . 6 1 1 A 51 51 LYS N N 51 121.304 124.132 -2.828 1
1 592 . 6 1 1 A 52 52 LYS H H 52 8.312 7.918 0.394 1
1 593 . 6 1 1 A 52 52 LYS HA H 52 4.298 4.595 -0.297 1
1 598 . 6 1 1 A 52 52 LYS C C 52 176.530 176.211 0.319 1
1 599 . 6 1 1 A 52 52 LYS CA C 52 56.140 54.827 1.313 1
1 600 . 6 1 1 A 52 52 LYS CB C 52 33.180 32.944 0.236 1
1 603 . 6 1 1 A 52 52 LYS N N 52 123.129 119.435 3.694 1
1 604 . 6 1 1 A 53 53 SER H H 53 8.309 8.798 -0.489 1
1 605 . 6 1 1 A 53 53 SER HA H 53 4.399 4.307 0.092 1
1 608 . 6 1 1 A 53 53 SER C C 53 174.531 175.841 -1.310 1
1 609 . 6 1 1 A 53 53 SER CA C 53 58.140 61.261 -3.121 1
1 610 . 6 1 1 A 53 53 SER CB C 53 63.780 63.489 0.291 1
1 611 . 6 1 1 A 53 53 SER N N 53 117.625 121.160 -3.535 1
1 612 . 6 1 1 A 54 54 LYS H H 54 8.409 8.060 0.349 1
1 613 . 6 1 1 A 54 54 LYS HA H 54 4.338 4.421 -0.083 1
1 618 . 6 1 1 A 54 54 LYS CA C 54 56.650 55.260 1.390 1
1 619 . 6 1 1 A 54 54 LYS CB C 54 32.920 32.587 0.333 1
1 621 . 6 1 1 A 54 54 LYS N N 54 123.196 120.468 2.728 1
1 16 . 7 1 1 A 2 2 GLN H H 2 8.326 7.931 0.395 1
1 17 . 7 1 1 A 2 2 GLN HA H 2 4.252 4.326 -0.074 1
1 18 . 7 1 1 A 2 2 GLN CA C 2 55.970 55.914 0.056 1
1 19 . 7 1 1 A 2 2 GLN CB C 2 29.990 29.357 0.633 1
1 20 . 7 1 1 A 2 2 GLN N N 2 123.332 118.738 4.594 1
1 21 . 7 1 1 A 3 3 LYS HA H 3 4.229 4.398 -0.169 1
1 22 . 7 1 1 A 3 3 LYS C C 3 176.404 176.398 0.006 1
1 23 . 7 1 1 A 3 3 LYS CA C 3 56.570 57.478 -0.908 1
1 24 . 7 1 1 A 3 3 LYS CB C 3 32.880 33.079 -0.199 1
1 25 . 7 1 1 A 4 4 ARG H H 4 8.303 7.690 0.613 1
1 26 . 7 1 1 A 4 4 ARG HA H 4 4.237 4.625 -0.388 1
1 33 . 7 1 1 A 4 4 ARG C C 4 176.656 175.734 0.922 1
1 34 . 7 1 1 A 4 4 ARG CA C 4 56.420 55.530 0.890 1
1 35 . 7 1 1 A 4 4 ARG CB C 4 30.910 31.541 -0.631 1
1 38 . 7 1 1 A 4 4 ARG N N 4 122.770 117.376 5.394 1
1 39 . 7 1 1 A 5 5 GLU H H 5 8.472 8.511 -0.039 1
1 40 . 7 1 1 A 5 5 GLU HA H 5 4.201 4.504 -0.303 1
1 45 . 7 1 1 A 5 5 GLU C C 5 176.137 176.697 -0.560 1
1 46 . 7 1 1 A 5 5 GLU CA C 5 56.650 56.611 0.039 1
1 47 . 7 1 1 A 5 5 GLU CB C 5 30.400 31.415 -1.015 1
1 49 . 7 1 1 A 5 5 GLU N N 5 121.724 118.662 3.062 1
1 50 . 7 1 1 A 6 6 LEU H H 6 8.127 7.859 0.268 1
1 51 . 7 1 1 A 6 6 LEU HA H 6 4.200 3.930 0.270 1
1 61 . 7 1 1 A 6 6 LEU C C 6 176.782 175.464 1.318 1
1 62 . 7 1 1 A 6 6 LEU CA C 6 55.200 55.097 0.103 1
1 63 . 7 1 1 A 6 6 LEU CB C 6 42.520 40.821 1.699 1
1 67 . 7 1 1 A 6 6 LEU N N 6 122.169 117.175 4.994 1
1 68 . 7 1 1 A 7 7 TYR H H 7 7.943 8.269 -0.326 1
1 69 . 7 1 1 A 7 7 TYR HA H 7 4.636 4.772 -0.136 1
1 76 . 7 1 1 A 7 7 TYR C C 7 175.350 175.266 0.084 1
1 77 . 7 1 1 A 7 7 TYR CA C 7 57.420 58.019 -0.599 1
1 78 . 7 1 1 A 7 7 TYR CB C 7 39.370 37.955 1.415 1
1 81 . 7 1 1 A 7 7 TYR N N 7 119.193 123.595 -4.402 1
1 82 . 7 1 1 A 8 8 GLU H H 8 8.314 8.912 -0.598 1
1 83 . 7 1 1 A 8 8 GLU HA H 8 4.314 4.684 -0.370 1
1 88 . 7 1 1 A 8 8 GLU C C 8 175.665 176.790 -1.125 1
1 89 . 7 1 1 A 8 8 GLU CA C 8 55.880 56.421 -0.541 1
1 90 . 7 1 1 A 8 8 GLU CB C 8 31.100 30.403 0.697 1
1 92 . 7 1 1 A 8 8 GLU N N 8 121.754 125.335 -3.581 1
1 93 . 7 1 1 A 9 9 ILE H H 9 8.116 8.360 -0.244 1
1 94 . 7 1 1 A 9 9 ILE HA H 9 4.204 4.387 -0.183 1
1 104 . 7 1 1 A 9 9 ILE C C 9 176.058 175.370 0.688 1
1 105 . 7 1 1 A 9 9 ILE CA C 9 60.640 60.248 0.392 1
1 106 . 7 1 1 A 9 9 ILE CB C 9 38.440 39.217 -0.777 1
1 110 . 7 1 1 A 9 9 ILE N N 9 121.966 122.354 -0.388 1
1 111 . 7 1 1 A 10 10 ALA H H 10 8.472 8.592 -0.120 1
1 112 . 7 1 1 A 10 10 ALA HA H 10 4.342 4.943 -0.601 1
1 116 . 7 1 1 A 10 10 ALA C C 10 177.286 175.110 2.176 1
1 117 . 7 1 1 A 10 10 ALA CA C 10 52.450 52.011 0.439 1
1 118 . 7 1 1 A 10 10 ALA CB C 10 19.420 20.038 -0.618 1
1 119 . 7 1 1 A 10 10 ALA N N 10 128.558 124.267 4.291 1
1 120 . 7 1 1 A 11 11 ASP H H 11 8.423 8.885 -0.462 1
1 121 . 7 1 1 A 11 11 ASP HA H 11 4.423 5.512 -1.089 1
1 124 . 7 1 1 A 11 11 ASP C C 11 176.798 175.178 1.620 1
1 125 . 7 1 1 A 11 11 ASP CA C 11 54.780 52.736 2.044 1
1 126 . 7 1 1 A 11 11 ASP CB C 11 40.900 45.049 -4.149 1
1 127 . 7 1 1 A 11 11 ASP N N 11 120.945 122.159 -1.214 1
1 128 . 7 1 1 A 12 12 GLY H H 12 8.263 8.504 -0.241 1
1 129 . 7 1 1 A 12 12 GLY HA2 H 12 3.928 4.171 -0.243 1
1 130 . 7 1 1 A 12 12 GLY HA3 H 12 3.765 4.172 -0.407 1
1 131 . 7 1 1 A 12 12 GLY C C 12 174.326 173.942 0.384 1
1 132 . 7 1 1 A 12 12 GLY CA C 12 45.630 45.766 -0.136 1
1 133 . 7 1 1 A 12 12 GLY N N 12 107.572 106.894 0.678 1
1 134 . 7 1 1 A 13 13 LYS H H 13 7.974 7.654 0.320 1
1 135 . 7 1 1 A 13 13 LYS HA H 13 4.286 4.773 -0.487 1
1 144 . 7 1 1 A 13 13 LYS C C 13 176.105 175.204 0.901 1
1 145 . 7 1 1 A 13 13 LYS CA C 13 55.970 54.690 1.280 1
1 146 . 7 1 1 A 13 13 LYS CB C 13 33.000 35.148 -2.148 1
1 150 . 7 1 1 A 13 13 LYS N N 13 120.339 116.336 4.003 1
1 151 . 7 1 1 A 14 14 LEU H H 14 8.103 8.531 -0.428 1
1 152 . 7 1 1 A 14 14 LEU HA H 14 4.355 4.392 -0.037 1
1 162 . 7 1 1 A 14 14 LEU C C 14 177.050 177.393 -0.343 1
1 163 . 7 1 1 A 14 14 LEU CA C 14 54.990 54.930 0.060 1
1 164 . 7 1 1 A 14 14 LEU CB C 14 42.180 42.954 -0.774 1
1 168 . 7 1 1 A 14 14 LEU N N 14 122.169 118.160 4.009 1
1 169 . 7 1 1 A 15 15 VAL H H 15 8.236 8.756 -0.520 1
1 170 . 7 1 1 A 15 15 VAL HA H 15 4.090 4.407 -0.317 1
1 178 . 7 1 1 A 15 15 VAL C C 15 175.680 175.653 0.027 1
1 179 . 7 1 1 A 15 15 VAL CA C 15 62.000 62.408 -0.408 1
1 180 . 7 1 1 A 15 15 VAL CB C 15 33.050 33.113 -0.063 1
1 182 . 7 1 1 A 15 15 VAL N N 15 122.264 117.965 4.299 1
1 183 . 7 1 1 A 16 16 ARG H H 16 8.293 8.005 0.288 1
1 184 . 7 1 1 A 16 16 ARG HA H 16 4.187 4.262 -0.075 1
1 191 . 7 1 1 A 16 16 ARG C C 16 175.822 174.822 1.000 1
1 192 . 7 1 1 A 16 16 ARG CA C 16 55.820 58.198 -2.378 1
1 193 . 7 1 1 A 16 16 ARG CB C 16 30.820 29.180 1.640 1
1 196 . 7 1 1 A 16 16 ARG N N 16 124.903 118.770 6.133 1
1 197 . 7 1 1 A 17 17 LYS H H 17 8.239 8.698 -0.459 1
1 198 . 7 1 1 A 17 17 LYS HA H 17 4.130 4.281 -0.151 1
1 207 . 7 1 1 A 17 17 LYS C C 17 175.995 175.832 0.163 1
1 208 . 7 1 1 A 17 17 LYS CA C 17 56.270 54.810 1.460 1
1 209 . 7 1 1 A 17 17 LYS CB C 17 33.130 32.280 0.850 1
1 213 . 7 1 1 A 17 17 LYS N N 17 123.108 123.158 -0.050 1
1 214 . 7 1 1 A 18 18 HIS H H 18 8.067 7.952 0.115 1
1 215 . 7 1 1 A 18 18 HIS HA H 18 4.572 4.437 0.135 1
1 218 . 7 1 1 A 18 18 HIS C C 18 174.736 174.002 0.734 1
1 219 . 7 1 1 A 18 18 HIS CA C 18 55.460 54.996 0.464 1
1 220 . 7 1 1 A 18 18 HIS CB C 18 31.390 28.458 2.932 1
1 221 . 7 1 1 A 18 18 HIS N N 18 120.275 122.643 -2.368 1
1 222 . 7 1 1 A 19 19 ARG H H 19 8.767 8.406 0.361 1
1 223 . 7 1 1 A 19 19 ARG HA H 19 4.254 4.459 -0.205 1
1 230 . 7 1 1 A 19 19 ARG C C 19 175.790 174.697 1.093 1
1 231 . 7 1 1 A 19 19 ARG CA C 19 55.480 55.489 -0.009 1
1 232 . 7 1 1 A 19 19 ARG CB C 19 32.050 30.781 1.269 1
1 235 . 7 1 1 A 19 19 ARG N N 19 122.186 126.031 -3.845 1
1 236 . 7 1 1 A 20 20 PHE H H 20 7.866 8.843 -0.977 1
1 237 . 7 1 1 A 20 20 PHE HA H 20 5.296 4.754 0.542 1
1 245 . 7 1 1 A 20 20 PHE C C 20 174.673 175.822 -1.149 1
1 246 . 7 1 1 A 20 20 PHE CA C 20 54.520 58.160 -3.640 1
1 247 . 7 1 1 A 20 20 PHE CB C 20 40.050 40.661 -0.611 1
1 251 . 7 1 1 A 20 20 PHE N N 20 120.369 124.903 -4.534 1
1 252 . 7 1 1 A 21 21 CYS H H 21 8.557 8.525 0.032 1
1 253 . 7 1 1 A 21 21 CYS HA H 21 4.062 4.414 -0.352 1
1 256 . 7 1 1 A 21 21 CYS CA C 21 56.880 57.573 -0.693 1
1 257 . 7 1 1 A 21 21 CYS CB C 21 30.710 28.695 2.015 1
1 258 . 7 1 1 A 21 21 CYS N N 21 123.994 121.509 2.485 1
1 259 . 7 1 1 A 22 22 PRO HA H 22 4.211 4.294 -0.083 1
1 266 . 7 1 1 A 22 22 PRO C C 22 177.475 178.962 -1.487 1
1 267 . 7 1 1 A 22 22 PRO CA C 22 64.260 65.642 -1.382 1
1 268 . 7 1 1 A 22 22 PRO CB C 22 31.730 31.476 0.254 1
1 271 . 7 1 1 A 23 23 ARG H H 23 8.569 8.215 0.354 1
1 272 . 7 1 1 A 23 23 ARG HA H 23 4.223 4.055 0.168 1
1 279 . 7 1 1 A 23 23 ARG C C 23 178.246 177.628 0.618 1
1 280 . 7 1 1 A 23 23 ARG CA C 23 58.030 58.583 -0.553 1
1 281 . 7 1 1 A 23 23 ARG CB C 23 31.240 30.137 1.103 1
1 284 . 7 1 1 A 23 23 ARG N N 23 121.075 117.803 3.272 1
1 285 . 7 1 1 A 24 24 CYS H H 24 9.550 7.788 1.762 1
1 286 . 7 1 1 A 24 24 CYS HA H 24 3.872 4.447 -0.575 1
1 289 . 7 1 1 A 24 24 CYS C C 24 177.302 176.018 1.284 1
1 290 . 7 1 1 A 24 24 CYS CA C 24 63.060 59.956 3.104 1
1 291 . 7 1 1 A 24 24 CYS CB C 24 30.120 27.828 2.292 1
1 292 . 7 1 1 A 24 24 CYS N N 24 123.692 117.412 6.280 1
1 293 . 7 1 1 A 25 25 GLY H H 25 8.166 8.409 -0.243 1
1 294 . 7 1 1 A 25 25 GLY HA2 H 25 4.142 3.832 0.310 1
1 295 . 7 1 1 A 25 25 GLY HA3 H 25 3.623 3.837 -0.214 1
1 296 . 7 1 1 A 25 25 GLY CA C 25 44.640 48.081 -3.441 1
1 297 . 7 1 1 A 25 25 GLY N N 25 107.593 109.819 -2.226 1
1 298 . 7 1 1 A 26 26 PRO HA H 26 2.807 4.166 -1.359 1
1 305 . 7 1 1 A 26 26 PRO C C 26 176.940 177.525 -0.585 1
1 306 . 7 1 1 A 26 26 PRO CA C 26 63.060 63.320 -0.260 1
1 307 . 7 1 1 A 26 26 PRO CB C 26 31.650 29.929 1.721 1
1 310 . 7 1 1 A 27 27 GLY H H 27 6.847 8.654 -1.807 1
1 311 . 7 1 1 A 27 27 GLY HA2 H 27 3.800 3.932 -0.132 1
1 312 . 7 1 1 A 27 27 GLY HA3 H 27 3.334 3.953 -0.619 1
1 313 . 7 1 1 A 27 27 GLY C C 27 172.705 173.605 -0.900 1
1 314 . 7 1 1 A 27 27 GLY CA C 27 44.400 45.152 -0.752 1
1 315 . 7 1 1 A 27 27 GLY N N 27 108.726 112.917 -4.191 1
1 316 . 7 1 1 A 28 28 VAL H H 28 7.416 7.590 -0.174 1
1 317 . 7 1 1 A 28 28 VAL HA H 28 3.964 4.417 -0.453 1
1 325 . 7 1 1 A 28 28 VAL C C 28 174.626 175.245 -0.619 1
1 326 . 7 1 1 A 28 28 VAL CA C 28 62.040 61.460 0.580 1
1 327 . 7 1 1 A 28 28 VAL CB C 28 32.080 33.550 -1.470 1
1 330 . 7 1 1 A 28 28 VAL N N 28 123.159 121.666 1.493 1
1 331 . 7 1 1 A 29 29 PHE H H 29 8.484 9.189 -0.705 1
1 332 . 7 1 1 A 29 29 PHE HA H 29 4.905 4.679 0.226 1
1 340 . 7 1 1 A 29 29 PHE C C 29 177.349 174.918 2.431 1
1 341 . 7 1 1 A 29 29 PHE CA C 29 57.800 57.205 0.595 1
1 342 . 7 1 1 A 29 29 PHE CB C 29 40.050 39.817 0.233 1
1 346 . 7 1 1 A 29 29 PHE N N 29 124.513 126.664 -2.151 1
1 347 . 7 1 1 A 30 30 LEU H H 30 8.615 8.907 -0.292 1
1 348 . 7 1 1 A 30 30 LEU HA H 30 4.425 4.941 -0.516 1
1 358 . 7 1 1 A 30 30 LEU C C 30 176.877 175.322 1.555 1
1 359 . 7 1 1 A 30 30 LEU CA C 30 54.180 53.816 0.364 1
1 360 . 7 1 1 A 30 30 LEU CB C 30 42.470 44.207 -1.737 1
1 364 . 7 1 1 A 30 30 LEU N N 30 120.729 123.037 -2.308 1
1 365 . 7 1 1 A 31 31 ALA H H 31 9.109 8.329 0.780 1
1 366 . 7 1 1 A 31 31 ALA HA H 31 4.502 4.547 -0.045 1
1 370 . 7 1 1 A 31 31 ALA C C 31 176.231 176.661 -0.430 1
1 371 . 7 1 1 A 31 31 ALA CA C 31 51.170 52.451 -1.281 1
1 372 . 7 1 1 A 31 31 ALA CB C 31 20.140 19.105 1.035 1
1 373 . 7 1 1 A 31 31 ALA N N 31 126.827 130.267 -3.440 1
1 374 . 7 1 1 A 32 32 GLU H H 32 8.580 8.887 -0.307 1
1 375 . 7 1 1 A 32 32 GLU HA H 32 4.172 4.575 -0.403 1
1 380 . 7 1 1 A 32 32 GLU C C 32 174.736 175.356 -0.620 1
1 381 . 7 1 1 A 32 32 GLU CA C 32 56.140 56.291 -0.151 1
1 382 . 7 1 1 A 32 32 GLU CB C 32 30.540 30.321 0.219 1
1 384 . 7 1 1 A 32 32 GLU N N 32 122.632 125.925 -3.293 1
1 385 . 7 1 1 A 33 33 HIS H H 33 8.596 9.082 -0.486 1
1 386 . 7 1 1 A 33 33 HIS HA H 33 4.816 4.892 -0.076 1
1 390 . 7 1 1 A 33 33 HIS CA C 33 53.900 55.036 -1.136 1
1 391 . 7 1 1 A 33 33 HIS CB C 33 33.160 32.466 0.694 1
1 393 . 7 1 1 A 33 33 HIS N N 33 126.719 124.600 2.119 1
1 394 . 7 1 1 A 34 34 ALA HA H 34 4.011 3.897 0.114 1
1 398 . 7 1 1 A 34 34 ALA C C 34 178.514 178.997 -0.483 1
1 399 . 7 1 1 A 34 34 ALA CA C 34 55.850 54.834 1.016 1
1 400 . 7 1 1 A 34 34 ALA CB C 34 18.060 18.471 -0.411 1
1 401 . 7 1 1 A 35 35 ASP H H 35 8.241 7.998 0.243 1
1 402 . 7 1 1 A 35 35 ASP HA H 35 4.737 4.585 0.152 1
1 405 . 7 1 1 A 35 35 ASP C C 35 177.003 176.284 0.719 1
1 406 . 7 1 1 A 35 35 ASP CA C 35 53.040 56.529 -3.489 1
1 407 . 7 1 1 A 35 35 ASP CB C 35 41.840 42.069 -0.229 1
1 408 . 7 1 1 A 35 35 ASP N N 35 108.393 115.775 -7.382 1
1 409 . 7 1 1 A 36 36 ARG H H 36 7.175 7.551 -0.376 1
1 410 . 7 1 1 A 36 36 ARG HA H 36 4.940 4.382 0.558 1
1 417 . 7 1 1 A 36 36 ARG C C 36 171.430 173.216 -1.786 1
1 418 . 7 1 1 A 36 36 ARG CA C 36 54.670 54.858 -0.188 1
1 419 . 7 1 1 A 36 36 ARG CB C 36 31.550 32.114 -0.564 1
1 422 . 7 1 1 A 36 36 ARG N N 36 116.403 113.364 3.039 1
1 423 . 7 1 1 A 37 37 TYR H H 37 9.025 9.271 -0.246 1
1 424 . 7 1 1 A 37 37 TYR HA H 37 5.546 5.368 0.178 1
1 431 . 7 1 1 A 37 37 TYR C C 37 176.027 175.461 0.566 1
1 432 . 7 1 1 A 37 37 TYR CA C 37 56.400 57.167 -0.767 1
1 433 . 7 1 1 A 37 37 TYR CB C 37 41.830 41.104 0.726 1
1 436 . 7 1 1 A 37 37 TYR N N 37 118.099 118.846 -0.747 1
1 437 . 7 1 1 A 38 38 SER H H 38 9.208 9.019 0.189 1
1 438 . 7 1 1 A 38 38 SER HA H 38 5.675 5.099 0.576 1
1 441 . 7 1 1 A 38 38 SER C C 38 172.862 173.021 -0.159 1
1 442 . 7 1 1 A 38 38 SER CA C 38 57.200 56.706 0.494 1
1 443 . 7 1 1 A 38 38 SER CB C 38 67.430 66.554 0.876 1
1 444 . 7 1 1 A 38 38 SER N N 38 114.608 114.853 -0.245 1
1 445 . 7 1 1 A 39 39 CYS H H 39 9.403 8.529 0.874 1
1 446 . 7 1 1 A 39 39 CYS HA H 39 4.781 4.736 0.045 1
1 449 . 7 1 1 A 39 39 CYS C C 39 177.931 173.461 4.470 1
1 450 . 7 1 1 A 39 39 CYS CA C 39 58.680 57.610 1.070 1
1 451 . 7 1 1 A 39 39 CYS CB C 39 32.710 28.183 4.527 1
1 452 . 7 1 1 A 39 39 CYS N N 39 127.346 120.865 6.481 1
1 453 . 7 1 1 A 40 40 GLY H H 40 9.147 8.725 0.422 1
1 454 . 7 1 1 A 40 40 GLY HA2 H 40 4.053 3.897 0.156 1
1 455 . 7 1 1 A 40 40 GLY HA3 H 40 3.875 3.905 -0.030 1
1 456 . 7 1 1 A 40 40 GLY C C 40 173.602 174.076 -0.474 1
1 457 . 7 1 1 A 40 40 GLY CA C 40 46.270 47.019 -0.749 1
1 458 . 7 1 1 A 40 40 GLY N N 40 119.366 114.341 5.025 1
1 459 . 7 1 1 A 41 41 ARG H H 41 9.279 8.500 0.779 1
1 460 . 7 1 1 A 41 41 ARG HA H 41 4.362 4.577 -0.215 1
1 467 . 7 1 1 A 41 41 ARG C C 41 177.601 176.936 0.665 1
1 468 . 7 1 1 A 41 41 ARG CA C 41 58.200 57.255 0.945 1
1 469 . 7 1 1 A 41 41 ARG CB C 41 30.980 32.309 -1.329 1
1 472 . 7 1 1 A 41 41 ARG N N 41 123.467 123.874 -0.407 1
1 473 . 7 1 1 A 42 42 CYS H H 42 8.759 8.002 0.757 1
1 474 . 7 1 1 A 42 42 CYS HA H 42 4.944 4.624 0.320 1
1 477 . 7 1 1 A 42 42 CYS C C 42 177.160 176.003 1.157 1
1 478 . 7 1 1 A 42 42 CYS CA C 42 58.390 58.911 -0.521 1
1 479 . 7 1 1 A 42 42 CYS CB C 42 33.600 29.849 3.751 1
1 480 . 7 1 1 A 42 42 CYS N N 42 118.328 115.639 2.689 1
1 481 . 7 1 1 A 43 43 GLY H H 43 7.686 7.991 -0.305 1
1 482 . 7 1 1 A 43 43 GLY HA2 H 43 4.251 3.864 0.387 1
1 483 . 7 1 1 A 43 43 GLY HA3 H 43 3.782 3.871 -0.089 1
1 484 . 7 1 1 A 43 43 GLY C C 43 174.122 174.050 0.072 1
1 485 . 7 1 1 A 43 43 GLY CA C 43 46.100 45.891 0.209 1
1 486 . 7 1 1 A 43 43 GLY N N 43 112.843 110.516 2.327 1
1 487 . 7 1 1 A 44 44 TYR H H 44 9.285 8.095 1.190 1
1 488 . 7 1 1 A 44 44 TYR HA H 44 4.109 4.513 -0.404 1
1 495 . 7 1 1 A 44 44 TYR C C 44 174.248 174.917 -0.669 1
1 496 . 7 1 1 A 44 44 TYR CA C 44 60.680 57.562 3.118 1
1 497 . 7 1 1 A 44 44 TYR CB C 44 39.840 38.770 1.070 1
1 500 . 7 1 1 A 44 44 TYR N N 44 127.411 121.701 5.710 1
1 501 . 7 1 1 A 45 45 THR H H 45 7.572 8.741 -1.169 1
1 502 . 7 1 1 A 45 45 THR HA H 45 4.763 5.210 -0.447 1
1 507 . 7 1 1 A 45 45 THR C C 45 171.635 172.828 -1.193 1
1 508 . 7 1 1 A 45 45 THR CA C 45 60.820 60.932 -0.112 1
1 509 . 7 1 1 A 45 45 THR CB C 45 72.660 71.173 1.487 1
1 511 . 7 1 1 A 45 45 THR N N 45 122.481 124.115 -1.634 1
1 512 . 7 1 1 A 46 46 GLU H H 46 8.456 8.870 -0.414 1
1 513 . 7 1 1 A 46 46 GLU HA H 46 4.430 4.882 -0.452 1
1 518 . 7 1 1 A 46 46 GLU C C 46 175.240 175.777 -0.537 1
1 519 . 7 1 1 A 46 46 GLU CA C 46 54.100 54.700 -0.600 1
1 520 . 7 1 1 A 46 46 GLU CB C 46 33.180 33.473 -0.293 1
1 522 . 7 1 1 A 46 46 GLU N N 46 124.924 127.223 -2.299 1
1 523 . 7 1 1 A 47 47 PHE H H 47 9.084 8.930 0.154 1
1 524 . 7 1 1 A 47 47 PHE HA H 47 4.417 4.555 -0.138 1
1 529 . 7 1 1 A 47 47 PHE C C 47 176.987 175.793 1.194 1
1 530 . 7 1 1 A 47 47 PHE CA C 47 59.920 59.245 0.675 1
1 531 . 7 1 1 A 47 47 PHE CB C 47 39.420 39.728 -0.308 1
1 533 . 7 1 1 A 47 47 PHE N N 47 125.357 126.138 -0.781 1
1 534 . 7 1 1 A 48 48 LYS H H 48 8.082 8.237 -0.155 1
1 535 . 7 1 1 A 48 48 LYS HA H 48 4.233 4.439 -0.206 1
1 544 . 7 1 1 A 48 48 LYS C C 48 176.278 176.389 -0.111 1
1 545 . 7 1 1 A 48 48 LYS CA C 48 57.670 56.818 0.852 1
1 546 . 7 1 1 A 48 48 LYS CB C 48 33.900 32.261 1.639 1
1 550 . 7 1 1 A 48 48 LYS N N 48 122.654 122.378 0.276 1
1 551 . 7 1 1 A 49 49 LYS H H 49 8.475 8.943 -0.468 1
1 552 . 7 1 1 A 49 49 LYS HA H 49 4.299 5.105 -0.806 1
1 561 . 7 1 1 A 49 49 LYS C C 49 175.979 175.026 0.953 1
1 562 . 7 1 1 A 49 49 LYS CA C 49 56.100 54.812 1.288 1
1 563 . 7 1 1 A 49 49 LYS CB C 49 33.090 35.033 -1.943 1
1 567 . 7 1 1 A 49 49 LYS N N 49 121.521 121.445 0.076 1
1 568 . 7 1 1 A 50 50 ALA H H 50 8.250 8.857 -0.607 1
1 569 . 7 1 1 A 50 50 ALA HA H 50 4.264 4.630 -0.366 1
1 573 . 7 1 1 A 50 50 ALA C C 50 177.617 176.489 1.128 1
1 574 . 7 1 1 A 50 50 ALA CA C 50 52.490 51.578 0.912 1
1 575 . 7 1 1 A 50 50 ALA CB C 50 19.420 19.033 0.387 1
1 576 . 7 1 1 A 50 50 ALA N N 50 125.681 127.718 -2.037 1
1 577 . 7 1 1 A 51 51 LYS H H 51 8.279 8.741 -0.462 1
1 578 . 7 1 1 A 51 51 LYS HA H 51 4.296 4.375 -0.079 1
1 585 . 7 1 1 A 51 51 LYS C C 51 176.562 175.945 0.617 1
1 586 . 7 1 1 A 51 51 LYS CA C 51 56.300 56.133 0.167 1
1 587 . 7 1 1 A 51 51 LYS CB C 51 33.090 32.004 1.086 1
1 591 . 7 1 1 A 51 51 LYS N N 51 121.304 125.178 -3.874 1
1 592 . 7 1 1 A 52 52 LYS H H 52 8.312 7.886 0.426 1
1 593 . 7 1 1 A 52 52 LYS HA H 52 4.298 4.283 0.015 1
1 598 . 7 1 1 A 52 52 LYS C C 52 176.530 176.946 -0.416 1
1 599 . 7 1 1 A 52 52 LYS CA C 52 56.140 57.493 -1.353 1
1 600 . 7 1 1 A 52 52 LYS CB C 52 33.180 32.705 0.475 1
1 603 . 7 1 1 A 52 52 LYS N N 52 123.129 127.146 -4.017 1
1 604 . 7 1 1 A 53 53 SER H H 53 8.309 7.564 0.745 1
1 605 . 7 1 1 A 53 53 SER HA H 53 4.399 4.424 -0.025 1
1 608 . 7 1 1 A 53 53 SER C C 53 174.531 174.739 -0.208 1
1 609 . 7 1 1 A 53 53 SER CA C 53 58.140 59.246 -1.106 1
1 610 . 7 1 1 A 53 53 SER CB C 53 63.780 62.373 1.407 1
1 611 . 7 1 1 A 53 53 SER N N 53 117.625 115.741 1.884 1
1 612 . 7 1 1 A 54 54 LYS H H 54 8.409 8.216 0.193 1
1 613 . 7 1 1 A 54 54 LYS HA H 54 4.338 4.591 -0.253 1
1 618 . 7 1 1 A 54 54 LYS CA C 54 56.650 57.224 -0.574 1
1 619 . 7 1 1 A 54 54 LYS CB C 54 32.920 34.046 -1.126 1
1 621 . 7 1 1 A 54 54 LYS N N 54 123.196 122.296 0.900 1
1 16 . 8 1 1 A 2 2 GLN H H 2 8.326 8.757 -0.431 1
1 17 . 8 1 1 A 2 2 GLN HA H 2 4.252 4.709 -0.457 1
1 18 . 8 1 1 A 2 2 GLN CA C 2 55.970 55.516 0.454 1
1 19 . 8 1 1 A 2 2 GLN CB C 2 29.990 30.059 -0.069 1
1 20 . 8 1 1 A 2 2 GLN N N 2 123.332 127.895 -4.563 1
1 21 . 8 1 1 A 3 3 LYS HA H 3 4.229 4.511 -0.282 1
1 22 . 8 1 1 A 3 3 LYS C C 3 176.404 176.931 -0.527 1
1 23 . 8 1 1 A 3 3 LYS CA C 3 56.570 55.288 1.282 1
1 24 . 8 1 1 A 3 3 LYS CB C 3 32.880 33.560 -0.680 1
1 25 . 8 1 1 A 4 4 ARG H H 4 8.303 8.844 -0.541 1
1 26 . 8 1 1 A 4 4 ARG HA H 4 4.237 4.321 -0.084 1
1 33 . 8 1 1 A 4 4 ARG C C 4 176.656 176.236 0.420 1
1 34 . 8 1 1 A 4 4 ARG CA C 4 56.420 56.024 0.396 1
1 35 . 8 1 1 A 4 4 ARG CB C 4 30.910 29.291 1.619 1
1 38 . 8 1 1 A 4 4 ARG N N 4 122.770 120.669 2.101 1
1 39 . 8 1 1 A 5 5 GLU H H 5 8.472 8.854 -0.382 1
1 40 . 8 1 1 A 5 5 GLU HA H 5 4.201 4.273 -0.072 1
1 45 . 8 1 1 A 5 5 GLU C C 5 176.137 176.128 0.009 1
1 46 . 8 1 1 A 5 5 GLU CA C 5 56.650 58.438 -1.788 1
1 47 . 8 1 1 A 5 5 GLU CB C 5 30.400 29.760 0.640 1
1 49 . 8 1 1 A 5 5 GLU N N 5 121.724 122.758 -1.034 1
1 50 . 8 1 1 A 6 6 LEU H H 6 8.127 7.698 0.429 1
1 51 . 8 1 1 A 6 6 LEU HA H 6 4.200 4.896 -0.696 1
1 61 . 8 1 1 A 6 6 LEU C C 6 176.782 174.610 2.172 1
1 62 . 8 1 1 A 6 6 LEU CA C 6 55.200 53.211 1.989 1
1 63 . 8 1 1 A 6 6 LEU CB C 6 42.520 46.923 -4.403 1
1 67 . 8 1 1 A 6 6 LEU N N 6 122.169 117.686 4.483 1
1 68 . 8 1 1 A 7 7 TYR H H 7 7.943 8.478 -0.535 1
1 69 . 8 1 1 A 7 7 TYR HA H 7 4.636 5.459 -0.823 1
1 76 . 8 1 1 A 7 7 TYR C C 7 175.350 173.960 1.390 1
1 77 . 8 1 1 A 7 7 TYR CA C 7 57.420 55.507 1.913 1
1 78 . 8 1 1 A 7 7 TYR CB C 7 39.370 41.799 -2.429 1
1 81 . 8 1 1 A 7 7 TYR N N 7 119.193 117.806 1.387 1
1 82 . 8 1 1 A 8 8 GLU H H 8 8.314 8.723 -0.409 1
1 83 . 8 1 1 A 8 8 GLU HA H 8 4.314 4.347 -0.033 1
1 88 . 8 1 1 A 8 8 GLU C C 8 175.665 176.669 -1.004 1
1 89 . 8 1 1 A 8 8 GLU CA C 8 55.880 56.442 -0.562 1
1 90 . 8 1 1 A 8 8 GLU CB C 8 31.100 30.138 0.962 1
1 92 . 8 1 1 A 8 8 GLU N N 8 121.754 121.523 0.231 1
1 93 . 8 1 1 A 9 9 ILE H H 9 8.116 8.854 -0.738 1
1 94 . 8 1 1 A 9 9 ILE HA H 9 4.204 5.054 -0.850 1
1 104 . 8 1 1 A 9 9 ILE C C 9 176.058 174.314 1.744 1
1 105 . 8 1 1 A 9 9 ILE CA C 9 60.640 58.689 1.951 1
1 106 . 8 1 1 A 9 9 ILE CB C 9 38.440 41.938 -3.498 1
1 110 . 8 1 1 A 9 9 ILE N N 9 121.966 119.117 2.849 1
1 111 . 8 1 1 A 10 10 ALA H H 10 8.472 8.630 -0.158 1
1 112 . 8 1 1 A 10 10 ALA HA H 10 4.342 4.445 -0.103 1
1 116 . 8 1 1 A 10 10 ALA C C 10 177.286 176.322 0.964 1
1 117 . 8 1 1 A 10 10 ALA CA C 10 52.450 51.094 1.356 1
1 118 . 8 1 1 A 10 10 ALA CB C 10 19.420 18.461 0.959 1
1 119 . 8 1 1 A 10 10 ALA N N 10 128.558 124.870 3.688 1
1 120 . 8 1 1 A 11 11 ASP H H 11 8.423 8.506 -0.083 1
1 121 . 8 1 1 A 11 11 ASP HA H 11 4.423 4.777 -0.354 1
1 124 . 8 1 1 A 11 11 ASP C C 11 176.798 178.344 -1.546 1
1 125 . 8 1 1 A 11 11 ASP CA C 11 54.780 55.357 -0.577 1
1 126 . 8 1 1 A 11 11 ASP CB C 11 40.900 42.334 -1.434 1
1 127 . 8 1 1 A 11 11 ASP N N 11 120.945 124.500 -3.555 1
1 128 . 8 1 1 A 12 12 GLY H H 12 8.263 7.949 0.314 1
1 129 . 8 1 1 A 12 12 GLY HA2 H 12 3.928 3.969 -0.041 1
1 130 . 8 1 1 A 12 12 GLY HA3 H 12 3.765 3.970 -0.205 1
1 131 . 8 1 1 A 12 12 GLY C C 12 174.326 174.167 0.159 1
1 132 . 8 1 1 A 12 12 GLY CA C 12 45.630 45.424 0.206 1
1 133 . 8 1 1 A 12 12 GLY N N 12 107.572 107.310 0.262 1
1 134 . 8 1 1 A 13 13 LYS H H 13 7.974 7.686 0.288 1
1 135 . 8 1 1 A 13 13 LYS HA H 13 4.286 4.139 0.147 1
1 144 . 8 1 1 A 13 13 LYS C C 13 176.105 176.608 -0.503 1
1 145 . 8 1 1 A 13 13 LYS CA C 13 55.970 56.606 -0.636 1
1 146 . 8 1 1 A 13 13 LYS CB C 13 33.000 32.390 0.610 1
1 150 . 8 1 1 A 13 13 LYS N N 13 120.339 121.368 -1.029 1
1 151 . 8 1 1 A 14 14 LEU H H 14 8.103 8.299 -0.196 1
1 152 . 8 1 1 A 14 14 LEU HA H 14 4.355 3.922 0.433 1
1 162 . 8 1 1 A 14 14 LEU C C 14 177.050 175.503 1.547 1
1 163 . 8 1 1 A 14 14 LEU CA C 14 54.990 57.310 -2.320 1
1 164 . 8 1 1 A 14 14 LEU CB C 14 42.180 40.647 1.533 1
1 168 . 8 1 1 A 14 14 LEU N N 14 122.169 122.137 0.032 1
1 169 . 8 1 1 A 15 15 VAL H H 15 8.236 7.628 0.608 1
1 170 . 8 1 1 A 15 15 VAL HA H 15 4.090 4.367 -0.277 1
1 178 . 8 1 1 A 15 15 VAL C C 15 175.680 174.255 1.425 1
1 179 . 8 1 1 A 15 15 VAL CA C 15 62.000 58.951 3.049 1
1 180 . 8 1 1 A 15 15 VAL CB C 15 33.050 35.258 -2.208 1
1 182 . 8 1 1 A 15 15 VAL N N 15 122.264 112.360 9.904 1
1 183 . 8 1 1 A 16 16 ARG H H 16 8.293 8.392 -0.099 1
1 184 . 8 1 1 A 16 16 ARG HA H 16 4.187 4.420 -0.233 1
1 191 . 8 1 1 A 16 16 ARG C C 16 175.822 174.979 0.843 1
1 192 . 8 1 1 A 16 16 ARG CA C 16 55.820 55.449 0.371 1
1 193 . 8 1 1 A 16 16 ARG CB C 16 30.820 28.493 2.327 1
1 196 . 8 1 1 A 16 16 ARG N N 16 124.903 120.537 4.366 1
1 197 . 8 1 1 A 17 17 LYS H H 17 8.239 8.725 -0.486 1
1 198 . 8 1 1 A 17 17 LYS HA H 17 4.130 4.427 -0.297 1
1 207 . 8 1 1 A 17 17 LYS C C 17 175.995 174.911 1.084 1
1 208 . 8 1 1 A 17 17 LYS CA C 17 56.270 55.512 0.758 1
1 209 . 8 1 1 A 17 17 LYS CB C 17 33.130 31.055 2.075 1
1 213 . 8 1 1 A 17 17 LYS N N 17 123.108 125.600 -2.492 1
1 214 . 8 1 1 A 18 18 HIS H H 18 8.067 8.350 -0.283 1
1 215 . 8 1 1 A 18 18 HIS HA H 18 4.572 5.295 -0.723 1
1 218 . 8 1 1 A 18 18 HIS C C 18 174.736 173.959 0.777 1
1 219 . 8 1 1 A 18 18 HIS CA C 18 55.460 54.528 0.932 1
1 220 . 8 1 1 A 18 18 HIS CB C 18 31.390 34.017 -2.627 1
1 221 . 8 1 1 A 18 18 HIS N N 18 120.275 125.157 -4.882 1
1 222 . 8 1 1 A 19 19 ARG H H 19 8.767 8.632 0.135 1
1 223 . 8 1 1 A 19 19 ARG HA H 19 4.254 4.774 -0.520 1
1 230 . 8 1 1 A 19 19 ARG C C 19 175.790 174.863 0.927 1
1 231 . 8 1 1 A 19 19 ARG CA C 19 55.480 53.853 1.627 1
1 232 . 8 1 1 A 19 19 ARG CB C 19 32.050 34.549 -2.499 1
1 235 . 8 1 1 A 19 19 ARG N N 19 122.186 119.974 2.212 1
1 236 . 8 1 1 A 20 20 PHE H H 20 7.866 9.072 -1.206 1
1 237 . 8 1 1 A 20 20 PHE HA H 20 5.296 4.938 0.358 1
1 245 . 8 1 1 A 20 20 PHE C C 20 174.673 175.516 -0.843 1
1 246 . 8 1 1 A 20 20 PHE CA C 20 54.520 57.779 -3.259 1
1 247 . 8 1 1 A 20 20 PHE CB C 20 40.050 41.496 -1.446 1
1 251 . 8 1 1 A 20 20 PHE N N 20 120.369 117.924 2.445 1
1 252 . 8 1 1 A 21 21 CYS H H 21 8.557 8.439 0.118 1
1 253 . 8 1 1 A 21 21 CYS HA H 21 4.062 4.355 -0.293 1
1 256 . 8 1 1 A 21 21 CYS CA C 21 56.880 56.720 0.160 1
1 257 . 8 1 1 A 21 21 CYS CB C 21 30.710 28.397 2.313 1
1 258 . 8 1 1 A 21 21 CYS N N 21 123.994 120.720 3.274 1
1 259 . 8 1 1 A 22 22 PRO HA H 22 4.211 4.252 -0.041 1
1 266 . 8 1 1 A 22 22 PRO C C 22 177.475 179.077 -1.602 1
1 267 . 8 1 1 A 22 22 PRO CA C 22 64.260 65.552 -1.292 1
1 268 . 8 1 1 A 22 22 PRO CB C 22 31.730 31.641 0.089 1
1 271 . 8 1 1 A 23 23 ARG H H 23 8.569 8.166 0.403 1
1 272 . 8 1 1 A 23 23 ARG HA H 23 4.223 4.024 0.199 1
1 279 . 8 1 1 A 23 23 ARG C C 23 178.246 178.694 -0.448 1
1 280 . 8 1 1 A 23 23 ARG CA C 23 58.030 59.293 -1.263 1
1 281 . 8 1 1 A 23 23 ARG CB C 23 31.240 30.384 0.856 1
1 284 . 8 1 1 A 23 23 ARG N N 23 121.075 118.058 3.017 1
1 285 . 8 1 1 A 24 24 CYS H H 24 9.550 8.310 1.240 1
1 286 . 8 1 1 A 24 24 CYS HA H 24 3.872 4.453 -0.581 1
1 289 . 8 1 1 A 24 24 CYS C C 24 177.302 176.235 1.067 1
1 290 . 8 1 1 A 24 24 CYS CA C 24 63.060 60.709 2.351 1
1 291 . 8 1 1 A 24 24 CYS CB C 24 30.120 27.075 3.045 1
1 292 . 8 1 1 A 24 24 CYS N N 24 123.692 117.959 5.733 1
1 293 . 8 1 1 A 25 25 GLY H H 25 8.166 8.378 -0.212 1
1 294 . 8 1 1 A 25 25 GLY HA2 H 25 4.142 3.786 0.356 1
1 295 . 8 1 1 A 25 25 GLY HA3 H 25 3.623 3.913 -0.290 1
1 296 . 8 1 1 A 25 25 GLY CA C 25 44.640 48.086 -3.446 1
1 297 . 8 1 1 A 25 25 GLY N N 25 107.593 109.490 -1.897 1
1 298 . 8 1 1 A 26 26 PRO HA H 26 2.807 4.181 -1.374 1
1 305 . 8 1 1 A 26 26 PRO C C 26 176.940 177.537 -0.597 1
1 306 . 8 1 1 A 26 26 PRO CA C 26 63.060 63.322 -0.262 1
1 307 . 8 1 1 A 26 26 PRO CB C 26 31.650 29.849 1.801 1
1 310 . 8 1 1 A 27 27 GLY H H 27 6.847 8.752 -1.905 1
1 311 . 8 1 1 A 27 27 GLY HA2 H 27 3.800 4.004 -0.204 1
1 312 . 8 1 1 A 27 27 GLY HA3 H 27 3.334 4.024 -0.690 1
1 313 . 8 1 1 A 27 27 GLY C C 27 172.705 173.443 -0.738 1
1 314 . 8 1 1 A 27 27 GLY CA C 27 44.400 45.247 -0.847 1
1 315 . 8 1 1 A 27 27 GLY N N 27 108.726 113.025 -4.299 1
1 316 . 8 1 1 A 28 28 VAL H H 28 7.416 7.917 -0.501 1
1 317 . 8 1 1 A 28 28 VAL HA H 28 3.964 4.552 -0.588 1
1 325 . 8 1 1 A 28 28 VAL C C 28 174.626 175.653 -1.027 1
1 326 . 8 1 1 A 28 28 VAL CA C 28 62.040 61.145 0.895 1
1 327 . 8 1 1 A 28 28 VAL CB C 28 32.080 34.670 -2.590 1
1 330 . 8 1 1 A 28 28 VAL N N 28 123.159 121.472 1.687 1
1 331 . 8 1 1 A 29 29 PHE H H 29 8.484 9.002 -0.518 1
1 332 . 8 1 1 A 29 29 PHE HA H 29 4.905 5.051 -0.146 1
1 340 . 8 1 1 A 29 29 PHE C C 29 177.349 174.646 2.703 1
1 341 . 8 1 1 A 29 29 PHE CA C 29 57.800 56.689 1.111 1
1 342 . 8 1 1 A 29 29 PHE CB C 29 40.050 40.451 -0.401 1
1 346 . 8 1 1 A 29 29 PHE N N 29 124.513 125.517 -1.004 1
1 347 . 8 1 1 A 30 30 LEU H H 30 8.615 8.740 -0.125 1
1 348 . 8 1 1 A 30 30 LEU HA H 30 4.425 4.799 -0.374 1
1 358 . 8 1 1 A 30 30 LEU C C 30 176.877 174.886 1.991 1
1 359 . 8 1 1 A 30 30 LEU CA C 30 54.180 54.107 0.073 1
1 360 . 8 1 1 A 30 30 LEU CB C 30 42.470 44.987 -2.517 1
1 364 . 8 1 1 A 30 30 LEU N N 30 120.729 120.929 -0.200 1
1 365 . 8 1 1 A 31 31 ALA H H 31 9.109 8.531 0.578 1
1 366 . 8 1 1 A 31 31 ALA HA H 31 4.502 4.426 0.076 1
1 370 . 8 1 1 A 31 31 ALA C C 31 176.231 176.330 -0.099 1
1 371 . 8 1 1 A 31 31 ALA CA C 31 51.170 52.145 -0.975 1
1 372 . 8 1 1 A 31 31 ALA CB C 31 20.140 18.991 1.149 1
1 373 . 8 1 1 A 31 31 ALA N N 31 126.827 130.185 -3.358 1
1 374 . 8 1 1 A 32 32 GLU H H 32 8.580 8.610 -0.030 1
1 375 . 8 1 1 A 32 32 GLU HA H 32 4.172 4.115 0.057 1
1 380 . 8 1 1 A 32 32 GLU C C 32 174.736 174.939 -0.203 1
1 381 . 8 1 1 A 32 32 GLU CA C 32 56.140 55.039 1.101 1
1 382 . 8 1 1 A 32 32 GLU CB C 32 30.540 28.949 1.591 1
1 384 . 8 1 1 A 32 32 GLU N N 32 122.632 125.446 -2.814 1
1 385 . 8 1 1 A 33 33 HIS H H 33 8.596 8.561 0.035 1
1 386 . 8 1 1 A 33 33 HIS HA H 33 4.816 4.707 0.109 1
1 390 . 8 1 1 A 33 33 HIS CA C 33 53.900 56.258 -2.358 1
1 391 . 8 1 1 A 33 33 HIS CB C 33 33.160 31.230 1.930 1
1 393 . 8 1 1 A 33 33 HIS N N 33 126.719 125.297 1.422 1
1 394 . 8 1 1 A 34 34 ALA HA H 34 4.011 3.967 0.044 1
1 398 . 8 1 1 A 34 34 ALA C C 34 178.514 178.821 -0.307 1
1 399 . 8 1 1 A 34 34 ALA CA C 34 55.850 54.485 1.365 1
1 400 . 8 1 1 A 34 34 ALA CB C 34 18.060 18.504 -0.444 1
1 401 . 8 1 1 A 35 35 ASP H H 35 8.241 8.083 0.158 1
1 402 . 8 1 1 A 35 35 ASP HA H 35 4.737 4.606 0.131 1
1 405 . 8 1 1 A 35 35 ASP C C 35 177.003 176.294 0.709 1
1 406 . 8 1 1 A 35 35 ASP CA C 35 53.040 56.656 -3.616 1
1 407 . 8 1 1 A 35 35 ASP CB C 35 41.840 41.990 -0.150 1
1 408 . 8 1 1 A 35 35 ASP N N 35 108.393 115.953 -7.560 1
1 409 . 8 1 1 A 36 36 ARG H H 36 7.175 7.652 -0.477 1
1 410 . 8 1 1 A 36 36 ARG HA H 36 4.940 4.645 0.295 1
1 417 . 8 1 1 A 36 36 ARG C C 36 171.430 173.489 -2.059 1
1 418 . 8 1 1 A 36 36 ARG CA C 36 54.670 55.098 -0.428 1
1 419 . 8 1 1 A 36 36 ARG CB C 36 31.550 32.073 -0.523 1
1 422 . 8 1 1 A 36 36 ARG N N 36 116.403 113.260 3.143 1
1 423 . 8 1 1 A 37 37 TYR H H 37 9.025 9.391 -0.366 1
1 424 . 8 1 1 A 37 37 TYR HA H 37 5.546 5.422 0.124 1
1 431 . 8 1 1 A 37 37 TYR C C 37 176.027 175.123 0.904 1
1 432 . 8 1 1 A 37 37 TYR CA C 37 56.400 57.241 -0.841 1
1 433 . 8 1 1 A 37 37 TYR CB C 37 41.830 41.022 0.808 1
1 436 . 8 1 1 A 37 37 TYR N N 37 118.099 118.182 -0.083 1
1 437 . 8 1 1 A 38 38 SER H H 38 9.208 8.970 0.238 1
1 438 . 8 1 1 A 38 38 SER HA H 38 5.675 5.494 0.181 1
1 441 . 8 1 1 A 38 38 SER C C 38 172.862 172.546 0.316 1
1 442 . 8 1 1 A 38 38 SER CA C 38 57.200 56.460 0.740 1
1 443 . 8 1 1 A 38 38 SER CB C 38 67.430 65.939 1.491 1
1 444 . 8 1 1 A 38 38 SER N N 38 114.608 116.353 -1.745 1
1 445 . 8 1 1 A 39 39 CYS H H 39 9.403 8.514 0.889 1
1 446 . 8 1 1 A 39 39 CYS HA H 39 4.781 4.780 0.001 1
1 449 . 8 1 1 A 39 39 CYS C C 39 177.931 173.450 4.481 1
1 450 . 8 1 1 A 39 39 CYS CA C 39 58.680 57.775 0.905 1
1 451 . 8 1 1 A 39 39 CYS CB C 39 32.710 28.616 4.094 1
1 452 . 8 1 1 A 39 39 CYS N N 39 127.346 124.252 3.094 1
1 453 . 8 1 1 A 40 40 GLY H H 40 9.147 8.728 0.419 1
1 454 . 8 1 1 A 40 40 GLY HA2 H 40 4.053 3.888 0.165 1
1 455 . 8 1 1 A 40 40 GLY HA3 H 40 3.875 3.900 -0.025 1
1 456 . 8 1 1 A 40 40 GLY C C 40 173.602 174.258 -0.656 1
1 457 . 8 1 1 A 40 40 GLY CA C 40 46.270 47.086 -0.816 1
1 458 . 8 1 1 A 40 40 GLY N N 40 119.366 114.646 4.720 1
1 459 . 8 1 1 A 41 41 ARG H H 41 9.279 8.584 0.695 1
1 460 . 8 1 1 A 41 41 ARG HA H 41 4.362 4.554 -0.192 1
1 467 . 8 1 1 A 41 41 ARG C C 41 177.601 176.912 0.689 1
1 468 . 8 1 1 A 41 41 ARG CA C 41 58.200 57.307 0.893 1
1 469 . 8 1 1 A 41 41 ARG CB C 41 30.980 32.921 -1.941 1
1 472 . 8 1 1 A 41 41 ARG N N 41 123.467 123.574 -0.107 1
1 473 . 8 1 1 A 42 42 CYS H H 42 8.759 7.735 1.024 1
1 474 . 8 1 1 A 42 42 CYS HA H 42 4.944 4.641 0.303 1
1 477 . 8 1 1 A 42 42 CYS C C 42 177.160 175.849 1.311 1
1 478 . 8 1 1 A 42 42 CYS CA C 42 58.390 58.485 -0.095 1
1 479 . 8 1 1 A 42 42 CYS CB C 42 33.600 29.607 3.993 1
1 480 . 8 1 1 A 42 42 CYS N N 42 118.328 115.227 3.101 1
1 481 . 8 1 1 A 43 43 GLY H H 43 7.686 8.109 -0.423 1
1 482 . 8 1 1 A 43 43 GLY HA2 H 43 4.251 3.906 0.345 1
1 483 . 8 1 1 A 43 43 GLY HA3 H 43 3.782 3.909 -0.127 1
1 484 . 8 1 1 A 43 43 GLY C C 43 174.122 174.060 0.062 1
1 485 . 8 1 1 A 43 43 GLY CA C 43 46.100 46.150 -0.050 1
1 486 . 8 1 1 A 43 43 GLY N N 43 112.843 111.142 1.701 1
1 487 . 8 1 1 A 44 44 TYR H H 44 9.285 8.096 1.189 1
1 488 . 8 1 1 A 44 44 TYR HA H 44 4.109 4.342 -0.233 1
1 495 . 8 1 1 A 44 44 TYR C C 44 174.248 174.845 -0.597 1
1 496 . 8 1 1 A 44 44 TYR CA C 44 60.680 57.618 3.062 1
1 497 . 8 1 1 A 44 44 TYR CB C 44 39.840 38.351 1.489 1
1 500 . 8 1 1 A 44 44 TYR N N 44 127.411 122.137 5.274 1
1 501 . 8 1 1 A 45 45 THR H H 45 7.572 8.748 -1.176 1
1 502 . 8 1 1 A 45 45 THR HA H 45 4.763 5.255 -0.492 1
1 507 . 8 1 1 A 45 45 THR C C 45 171.635 173.024 -1.389 1
1 508 . 8 1 1 A 45 45 THR CA C 45 60.820 60.941 -0.121 1
1 509 . 8 1 1 A 45 45 THR CB C 45 72.660 70.943 1.717 1
1 511 . 8 1 1 A 45 45 THR N N 45 122.481 123.620 -1.139 1
1 512 . 8 1 1 A 46 46 GLU H H 46 8.456 8.810 -0.354 1
1 513 . 8 1 1 A 46 46 GLU HA H 46 4.430 4.684 -0.254 1
1 518 . 8 1 1 A 46 46 GLU C C 46 175.240 175.668 -0.428 1
1 519 . 8 1 1 A 46 46 GLU CA C 46 54.100 54.747 -0.647 1
1 520 . 8 1 1 A 46 46 GLU CB C 46 33.180 33.490 -0.310 1
1 522 . 8 1 1 A 46 46 GLU N N 46 124.924 127.279 -2.355 1
1 523 . 8 1 1 A 47 47 PHE H H 47 9.084 8.387 0.697 1
1 524 . 8 1 1 A 47 47 PHE HA H 47 4.417 4.534 -0.117 1
1 529 . 8 1 1 A 47 47 PHE C C 47 176.987 175.755 1.232 1
1 530 . 8 1 1 A 47 47 PHE CA C 47 59.920 59.114 0.806 1
1 531 . 8 1 1 A 47 47 PHE CB C 47 39.420 39.642 -0.222 1
1 533 . 8 1 1 A 47 47 PHE N N 47 125.357 125.840 -0.483 1
1 534 . 8 1 1 A 48 48 LYS H H 48 8.082 8.340 -0.258 1
1 535 . 8 1 1 A 48 48 LYS HA H 48 4.233 4.495 -0.262 1
1 544 . 8 1 1 A 48 48 LYS C C 48 176.278 176.477 -0.199 1
1 545 . 8 1 1 A 48 48 LYS CA C 48 57.670 55.779 1.891 1
1 546 . 8 1 1 A 48 48 LYS CB C 48 33.900 30.834 3.066 1
1 550 . 8 1 1 A 48 48 LYS N N 48 122.654 122.774 -0.120 1
1 551 . 8 1 1 A 49 49 LYS H H 49 8.475 9.286 -0.811 1
1 552 . 8 1 1 A 49 49 LYS HA H 49 4.299 4.577 -0.278 1
1 561 . 8 1 1 A 49 49 LYS C C 49 175.979 176.709 -0.730 1
1 562 . 8 1 1 A 49 49 LYS CA C 49 56.100 56.631 -0.531 1
1 563 . 8 1 1 A 49 49 LYS CB C 49 33.090 34.059 -0.969 1
1 567 . 8 1 1 A 49 49 LYS N N 49 121.521 126.234 -4.713 1
1 568 . 8 1 1 A 50 50 ALA H H 50 8.250 7.631 0.619 1
1 569 . 8 1 1 A 50 50 ALA HA H 50 4.264 4.308 -0.044 1
1 573 . 8 1 1 A 50 50 ALA C C 50 177.617 176.944 0.673 1
1 574 . 8 1 1 A 50 50 ALA CA C 50 52.490 52.121 0.369 1
1 575 . 8 1 1 A 50 50 ALA CB C 50 19.420 18.351 1.069 1
1 576 . 8 1 1 A 50 50 ALA N N 50 125.681 123.053 2.628 1
1 577 . 8 1 1 A 51 51 LYS H H 51 8.279 8.860 -0.581 1
1 578 . 8 1 1 A 51 51 LYS HA H 51 4.296 4.593 -0.297 1
1 585 . 8 1 1 A 51 51 LYS C C 51 176.562 175.921 0.641 1
1 586 . 8 1 1 A 51 51 LYS CA C 51 56.300 57.508 -1.208 1
1 587 . 8 1 1 A 51 51 LYS CB C 51 33.090 35.440 -2.350 1
1 591 . 8 1 1 A 51 51 LYS N N 51 121.304 126.854 -5.550 1
1 592 . 8 1 1 A 52 52 LYS H H 52 8.312 7.918 0.394 1
1 593 . 8 1 1 A 52 52 LYS HA H 52 4.298 4.557 -0.259 1
1 598 . 8 1 1 A 52 52 LYS C C 52 176.530 176.034 0.496 1
1 599 . 8 1 1 A 52 52 LYS CA C 52 56.140 55.558 0.582 1
1 600 . 8 1 1 A 52 52 LYS CB C 52 33.180 32.802 0.378 1
1 603 . 8 1 1 A 52 52 LYS N N 52 123.129 119.319 3.810 1
1 604 . 8 1 1 A 53 53 SER H H 53 8.309 8.918 -0.609 1
1 605 . 8 1 1 A 53 53 SER HA H 53 4.399 4.550 -0.151 1
1 608 . 8 1 1 A 53 53 SER C C 53 174.531 174.881 -0.350 1
1 609 . 8 1 1 A 53 53 SER CA C 53 58.140 60.480 -2.340 1
1 610 . 8 1 1 A 53 53 SER CB C 53 63.780 64.052 -0.272 1
1 611 . 8 1 1 A 53 53 SER N N 53 117.625 121.019 -3.394 1
1 612 . 8 1 1 A 54 54 LYS H H 54 8.409 7.796 0.613 1
1 613 . 8 1 1 A 54 54 LYS HA H 54 4.338 4.673 -0.335 1
1 618 . 8 1 1 A 54 54 LYS CA C 54 56.650 55.538 1.112 1
1 619 . 8 1 1 A 54 54 LYS CB C 54 32.920 35.325 -2.405 1
1 621 . 8 1 1 A 54 54 LYS N N 54 123.196 119.141 4.055 1
1 16 . 9 1 1 A 2 2 GLN H H 2 8.326 8.547 -0.221 1
1 17 . 9 1 1 A 2 2 GLN HA H 2 4.252 4.786 -0.534 1
1 18 . 9 1 1 A 2 2 GLN CA C 2 55.970 54.170 1.800 1
1 19 . 9 1 1 A 2 2 GLN CB C 2 29.990 32.324 -2.334 1
1 20 . 9 1 1 A 2 2 GLN N N 2 123.332 120.220 3.112 1
1 21 . 9 1 1 A 3 3 LYS HA H 3 4.229 3.843 0.386 1
1 22 . 9 1 1 A 3 3 LYS C C 3 176.404 176.029 0.375 1
1 23 . 9 1 1 A 3 3 LYS CA C 3 56.570 57.024 -0.454 1
1 24 . 9 1 1 A 3 3 LYS CB C 3 32.880 30.849 2.031 1
1 25 . 9 1 1 A 4 4 ARG H H 4 8.303 8.229 0.074 1
1 26 . 9 1 1 A 4 4 ARG HA H 4 4.237 4.455 -0.218 1
1 33 . 9 1 1 A 4 4 ARG C C 4 176.656 175.995 0.661 1
1 34 . 9 1 1 A 4 4 ARG CA C 4 56.420 56.208 0.212 1
1 35 . 9 1 1 A 4 4 ARG CB C 4 30.910 31.117 -0.207 1
1 38 . 9 1 1 A 4 4 ARG N N 4 122.770 127.310 -4.540 1
1 39 . 9 1 1 A 5 5 GLU H H 5 8.472 9.021 -0.549 1
1 40 . 9 1 1 A 5 5 GLU HA H 5 4.201 4.545 -0.344 1
1 45 . 9 1 1 A 5 5 GLU C C 5 176.137 176.345 -0.208 1
1 46 . 9 1 1 A 5 5 GLU CA C 5 56.650 55.606 1.044 1
1 47 . 9 1 1 A 5 5 GLU CB C 5 30.400 27.686 2.714 1
1 49 . 9 1 1 A 5 5 GLU N N 5 121.724 126.500 -4.776 1
1 50 . 9 1 1 A 6 6 LEU H H 6 8.127 8.629 -0.502 1
1 51 . 9 1 1 A 6 6 LEU HA H 6 4.200 4.374 -0.174 1
1 61 . 9 1 1 A 6 6 LEU C C 6 176.782 176.693 0.089 1
1 62 . 9 1 1 A 6 6 LEU CA C 6 55.200 56.311 -1.111 1
1 63 . 9 1 1 A 6 6 LEU CB C 6 42.520 42.626 -0.106 1
1 67 . 9 1 1 A 6 6 LEU N N 6 122.169 123.686 -1.517 1
1 68 . 9 1 1 A 7 7 TYR H H 7 7.943 7.434 0.509 1
1 69 . 9 1 1 A 7 7 TYR HA H 7 4.636 4.934 -0.298 1
1 76 . 9 1 1 A 7 7 TYR C C 7 175.350 174.085 1.265 1
1 77 . 9 1 1 A 7 7 TYR CA C 7 57.420 56.743 0.677 1
1 78 . 9 1 1 A 7 7 TYR CB C 7 39.370 40.649 -1.279 1
1 81 . 9 1 1 A 7 7 TYR N N 7 119.193 113.886 5.307 1
1 82 . 9 1 1 A 8 8 GLU H H 8 8.314 8.723 -0.409 1
1 83 . 9 1 1 A 8 8 GLU HA H 8 4.314 4.484 -0.170 1
1 88 . 9 1 1 A 8 8 GLU C C 8 175.665 176.416 -0.751 1
1 89 . 9 1 1 A 8 8 GLU CA C 8 55.880 56.207 -0.327 1
1 90 . 9 1 1 A 8 8 GLU CB C 8 31.100 30.680 0.420 1
1 92 . 9 1 1 A 8 8 GLU N N 8 121.754 122.409 -0.655 1
1 93 . 9 1 1 A 9 9 ILE H H 9 8.116 8.264 -0.148 1
1 94 . 9 1 1 A 9 9 ILE HA H 9 4.204 4.450 -0.246 1
1 104 . 9 1 1 A 9 9 ILE C C 9 176.058 175.906 0.152 1
1 105 . 9 1 1 A 9 9 ILE CA C 9 60.640 60.347 0.293 1
1 106 . 9 1 1 A 9 9 ILE CB C 9 38.440 39.695 -1.255 1
1 110 . 9 1 1 A 9 9 ILE N N 9 121.966 117.765 4.201 1
1 111 . 9 1 1 A 10 10 ALA H H 10 8.472 8.262 0.210 1
1 112 . 9 1 1 A 10 10 ALA HA H 10 4.342 4.550 -0.208 1
1 116 . 9 1 1 A 10 10 ALA C C 10 177.286 177.493 -0.207 1
1 117 . 9 1 1 A 10 10 ALA CA C 10 52.450 52.631 -0.181 1
1 118 . 9 1 1 A 10 10 ALA CB C 10 19.420 20.762 -1.342 1
1 119 . 9 1 1 A 10 10 ALA N N 10 128.558 123.506 5.052 1
1 120 . 9 1 1 A 11 11 ASP H H 11 8.423 8.273 0.150 1
1 121 . 9 1 1 A 11 11 ASP HA H 11 4.423 4.447 -0.024 1
1 124 . 9 1 1 A 11 11 ASP C C 11 176.798 176.012 0.786 1
1 125 . 9 1 1 A 11 11 ASP CA C 11 54.780 55.988 -1.208 1
1 126 . 9 1 1 A 11 11 ASP CB C 11 40.900 40.813 0.087 1
1 127 . 9 1 1 A 11 11 ASP N N 11 120.945 118.262 2.683 1
1 128 . 9 1 1 A 12 12 GLY H H 12 8.263 8.251 0.012 1
1 129 . 9 1 1 A 12 12 GLY HA2 H 12 3.928 4.097 -0.169 1
1 130 . 9 1 1 A 12 12 GLY HA3 H 12 3.765 4.104 -0.339 1
1 131 . 9 1 1 A 12 12 GLY C C 12 174.326 173.795 0.531 1
1 132 . 9 1 1 A 12 12 GLY CA C 12 45.630 44.797 0.833 1
1 133 . 9 1 1 A 12 12 GLY N N 12 107.572 107.827 -0.255 1
1 134 . 9 1 1 A 13 13 LYS H H 13 7.974 8.957 -0.983 1
1 135 . 9 1 1 A 13 13 LYS HA H 13 4.286 4.240 0.046 1
1 144 . 9 1 1 A 13 13 LYS C C 13 176.105 175.852 0.253 1
1 145 . 9 1 1 A 13 13 LYS CA C 13 55.970 57.084 -1.114 1
1 146 . 9 1 1 A 13 13 LYS CB C 13 33.000 32.316 0.684 1
1 150 . 9 1 1 A 13 13 LYS N N 13 120.339 121.125 -0.786 1
1 151 . 9 1 1 A 14 14 LEU H H 14 8.103 8.684 -0.581 1
1 152 . 9 1 1 A 14 14 LEU HA H 14 4.355 4.410 -0.055 1
1 162 . 9 1 1 A 14 14 LEU C C 14 177.050 177.461 -0.411 1
1 163 . 9 1 1 A 14 14 LEU CA C 14 54.990 56.153 -1.163 1
1 164 . 9 1 1 A 14 14 LEU CB C 14 42.180 40.884 1.296 1
1 168 . 9 1 1 A 14 14 LEU N N 14 122.169 120.098 2.071 1
1 169 . 9 1 1 A 15 15 VAL H H 15 8.236 8.666 -0.430 1
1 170 . 9 1 1 A 15 15 VAL HA H 15 4.090 4.010 0.080 1
1 178 . 9 1 1 A 15 15 VAL C C 15 175.680 176.398 -0.718 1
1 179 . 9 1 1 A 15 15 VAL CA C 15 62.000 65.492 -3.492 1
1 180 . 9 1 1 A 15 15 VAL CB C 15 33.050 31.633 1.417 1
1 182 . 9 1 1 A 15 15 VAL N N 15 122.264 123.861 -1.597 1
1 183 . 9 1 1 A 16 16 ARG H H 16 8.293 7.589 0.704 1
1 184 . 9 1 1 A 16 16 ARG HA H 16 4.187 4.595 -0.408 1
1 191 . 9 1 1 A 16 16 ARG C C 16 175.822 175.345 0.477 1
1 192 . 9 1 1 A 16 16 ARG CA C 16 55.820 55.148 0.672 1
1 193 . 9 1 1 A 16 16 ARG CB C 16 30.820 28.877 1.943 1
1 196 . 9 1 1 A 16 16 ARG N N 16 124.903 120.789 4.114 1
1 197 . 9 1 1 A 17 17 LYS H H 17 8.239 8.809 -0.570 1
1 198 . 9 1 1 A 17 17 LYS HA H 17 4.130 4.441 -0.311 1
1 207 . 9 1 1 A 17 17 LYS C C 17 175.995 175.370 0.625 1
1 208 . 9 1 1 A 17 17 LYS CA C 17 56.270 55.551 0.719 1
1 209 . 9 1 1 A 17 17 LYS CB C 17 33.130 30.931 2.199 1
1 213 . 9 1 1 A 17 17 LYS N N 17 123.108 126.398 -3.290 1
1 214 . 9 1 1 A 18 18 HIS H H 18 8.067 7.694 0.373 1
1 215 . 9 1 1 A 18 18 HIS HA H 18 4.572 5.032 -0.460 1
1 218 . 9 1 1 A 18 18 HIS C C 18 174.736 172.701 2.035 1
1 219 . 9 1 1 A 18 18 HIS CA C 18 55.460 54.115 1.345 1
1 220 . 9 1 1 A 18 18 HIS CB C 18 31.390 30.394 0.996 1
1 221 . 9 1 1 A 18 18 HIS N N 18 120.275 118.340 1.935 1
1 222 . 9 1 1 A 19 19 ARG H H 19 8.767 8.820 -0.053 1
1 223 . 9 1 1 A 19 19 ARG HA H 19 4.254 4.453 -0.199 1
1 230 . 9 1 1 A 19 19 ARG C C 19 175.790 175.378 0.412 1
1 231 . 9 1 1 A 19 19 ARG CA C 19 55.480 55.073 0.407 1
1 232 . 9 1 1 A 19 19 ARG CB C 19 32.050 31.727 0.323 1
1 235 . 9 1 1 A 19 19 ARG N N 19 122.186 125.361 -3.175 1
1 236 . 9 1 1 A 20 20 PHE H H 20 7.866 8.729 -0.863 1
1 237 . 9 1 1 A 20 20 PHE HA H 20 5.296 4.987 0.309 1
1 245 . 9 1 1 A 20 20 PHE C C 20 174.673 175.390 -0.717 1
1 246 . 9 1 1 A 20 20 PHE CA C 20 54.520 56.422 -1.902 1
1 247 . 9 1 1 A 20 20 PHE CB C 20 40.050 41.567 -1.517 1
1 251 . 9 1 1 A 20 20 PHE N N 20 120.369 118.449 1.920 1
1 252 . 9 1 1 A 21 21 CYS H H 21 8.557 8.554 0.003 1
1 253 . 9 1 1 A 21 21 CYS HA H 21 4.062 4.372 -0.310 1
1 256 . 9 1 1 A 21 21 CYS CA C 21 56.880 57.158 -0.278 1
1 257 . 9 1 1 A 21 21 CYS CB C 21 30.710 28.094 2.616 1
1 258 . 9 1 1 A 21 21 CYS N N 21 123.994 121.930 2.064 1
1 259 . 9 1 1 A 22 22 PRO HA H 22 4.211 4.257 -0.046 1
1 266 . 9 1 1 A 22 22 PRO C C 22 177.475 178.634 -1.159 1
1 267 . 9 1 1 A 22 22 PRO CA C 22 64.260 65.691 -1.431 1
1 268 . 9 1 1 A 22 22 PRO CB C 22 31.730 31.414 0.316 1
1 271 . 9 1 1 A 23 23 ARG H H 23 8.569 8.308 0.261 1
1 272 . 9 1 1 A 23 23 ARG HA H 23 4.223 4.098 0.125 1
1 279 . 9 1 1 A 23 23 ARG C C 23 178.246 177.618 0.628 1
1 280 . 9 1 1 A 23 23 ARG CA C 23 58.030 57.873 0.157 1
1 281 . 9 1 1 A 23 23 ARG CB C 23 31.240 30.138 1.102 1
1 284 . 9 1 1 A 23 23 ARG N N 23 121.075 117.503 3.572 1
1 285 . 9 1 1 A 24 24 CYS H H 24 9.550 7.986 1.564 1
1 286 . 9 1 1 A 24 24 CYS HA H 24 3.872 4.446 -0.574 1
1 289 . 9 1 1 A 24 24 CYS C C 24 177.302 176.284 1.018 1
1 290 . 9 1 1 A 24 24 CYS CA C 24 63.060 60.472 2.588 1
1 291 . 9 1 1 A 24 24 CYS CB C 24 30.120 27.646 2.474 1
1 292 . 9 1 1 A 24 24 CYS N N 24 123.692 118.345 5.347 1
1 293 . 9 1 1 A 25 25 GLY H H 25 8.166 8.479 -0.313 1
1 294 . 9 1 1 A 25 25 GLY HA2 H 25 4.142 3.787 0.355 1
1 295 . 9 1 1 A 25 25 GLY HA3 H 25 3.623 3.906 -0.283 1
1 296 . 9 1 1 A 25 25 GLY CA C 25 44.640 48.097 -3.457 1
1 297 . 9 1 1 A 25 25 GLY N N 25 107.593 109.614 -2.021 1
1 298 . 9 1 1 A 26 26 PRO HA H 26 2.807 4.150 -1.343 1
1 305 . 9 1 1 A 26 26 PRO C C 26 176.940 177.533 -0.593 1
1 306 . 9 1 1 A 26 26 PRO CA C 26 63.060 63.698 -0.638 1
1 307 . 9 1 1 A 26 26 PRO CB C 26 31.650 30.954 0.696 1
1 310 . 9 1 1 A 27 27 GLY H H 27 6.847 8.677 -1.830 1
1 311 . 9 1 1 A 27 27 GLY HA2 H 27 3.800 3.948 -0.148 1
1 312 . 9 1 1 A 27 27 GLY HA3 H 27 3.334 3.970 -0.636 1
1 313 . 9 1 1 A 27 27 GLY C C 27 172.705 173.844 -1.139 1
1 314 . 9 1 1 A 27 27 GLY CA C 27 44.400 45.254 -0.854 1
1 315 . 9 1 1 A 27 27 GLY N N 27 108.726 113.040 -4.314 1
1 316 . 9 1 1 A 28 28 VAL H H 28 7.416 7.773 -0.357 1
1 317 . 9 1 1 A 28 28 VAL HA H 28 3.964 4.455 -0.491 1
1 325 . 9 1 1 A 28 28 VAL C C 28 174.626 175.345 -0.719 1
1 326 . 9 1 1 A 28 28 VAL CA C 28 62.040 61.720 0.320 1
1 327 . 9 1 1 A 28 28 VAL CB C 28 32.080 33.442 -1.362 1
1 330 . 9 1 1 A 28 28 VAL N N 28 123.159 122.029 1.130 1
1 331 . 9 1 1 A 29 29 PHE H H 29 8.484 9.235 -0.751 1
1 332 . 9 1 1 A 29 29 PHE HA H 29 4.905 4.985 -0.080 1
1 340 . 9 1 1 A 29 29 PHE C C 29 177.349 174.752 2.597 1
1 341 . 9 1 1 A 29 29 PHE CA C 29 57.800 56.719 1.081 1
1 342 . 9 1 1 A 29 29 PHE CB C 29 40.050 41.078 -1.028 1
1 346 . 9 1 1 A 29 29 PHE N N 29 124.513 126.199 -1.686 1
1 347 . 9 1 1 A 30 30 LEU H H 30 8.615 8.492 0.123 1
1 348 . 9 1 1 A 30 30 LEU HA H 30 4.425 4.969 -0.544 1
1 358 . 9 1 1 A 30 30 LEU C C 30 176.877 175.342 1.535 1
1 359 . 9 1 1 A 30 30 LEU CA C 30 54.180 53.674 0.506 1
1 360 . 9 1 1 A 30 30 LEU CB C 30 42.470 44.539 -2.069 1
1 364 . 9 1 1 A 30 30 LEU N N 30 120.729 121.890 -1.161 1
1 365 . 9 1 1 A 31 31 ALA H H 31 9.109 8.385 0.724 1
1 366 . 9 1 1 A 31 31 ALA HA H 31 4.502 4.595 -0.093 1
1 370 . 9 1 1 A 31 31 ALA C C 31 176.231 176.707 -0.476 1
1 371 . 9 1 1 A 31 31 ALA CA C 31 51.170 52.708 -1.538 1
1 372 . 9 1 1 A 31 31 ALA CB C 31 20.140 19.085 1.055 1
1 373 . 9 1 1 A 31 31 ALA N N 31 126.827 130.230 -3.403 1
1 374 . 9 1 1 A 32 32 GLU H H 32 8.580 8.923 -0.343 1
1 375 . 9 1 1 A 32 32 GLU HA H 32 4.172 4.663 -0.491 1
1 380 . 9 1 1 A 32 32 GLU C C 32 174.736 175.188 -0.452 1
1 381 . 9 1 1 A 32 32 GLU CA C 32 56.140 56.326 -0.186 1
1 382 . 9 1 1 A 32 32 GLU CB C 32 30.540 30.647 -0.107 1
1 384 . 9 1 1 A 32 32 GLU N N 32 122.632 125.683 -3.051 1
1 385 . 9 1 1 A 33 33 HIS H H 33 8.596 8.519 0.077 1
1 386 . 9 1 1 A 33 33 HIS HA H 33 4.816 4.923 -0.107 1
1 390 . 9 1 1 A 33 33 HIS CA C 33 53.900 54.747 -0.847 1
1 391 . 9 1 1 A 33 33 HIS CB C 33 33.160 33.953 -0.793 1
1 393 . 9 1 1 A 33 33 HIS N N 33 126.719 123.570 3.149 1
1 394 . 9 1 1 A 34 34 ALA HA H 34 4.011 3.926 0.085 1
1 398 . 9 1 1 A 34 34 ALA C C 34 178.514 179.415 -0.901 1
1 399 . 9 1 1 A 34 34 ALA CA C 34 55.850 55.294 0.556 1
1 400 . 9 1 1 A 34 34 ALA CB C 34 18.060 18.322 -0.262 1
1 401 . 9 1 1 A 35 35 ASP H H 35 8.241 7.984 0.257 1
1 402 . 9 1 1 A 35 35 ASP HA H 35 4.737 4.560 0.177 1
1 405 . 9 1 1 A 35 35 ASP C C 35 177.003 176.273 0.730 1
1 406 . 9 1 1 A 35 35 ASP CA C 35 53.040 56.560 -3.520 1
1 407 . 9 1 1 A 35 35 ASP CB C 35 41.840 41.822 0.018 1
1 408 . 9 1 1 A 35 35 ASP N N 35 108.393 115.297 -6.904 1
1 409 . 9 1 1 A 36 36 ARG H H 36 7.175 7.591 -0.416 1
1 410 . 9 1 1 A 36 36 ARG HA H 36 4.940 4.450 0.490 1
1 417 . 9 1 1 A 36 36 ARG C C 36 171.430 173.365 -1.935 1
1 418 . 9 1 1 A 36 36 ARG CA C 36 54.670 54.953 -0.283 1
1 419 . 9 1 1 A 36 36 ARG CB C 36 31.550 32.137 -0.587 1
1 422 . 9 1 1 A 36 36 ARG N N 36 116.403 113.345 3.058 1
1 423 . 9 1 1 A 37 37 TYR H H 37 9.025 9.192 -0.167 1
1 424 . 9 1 1 A 37 37 TYR HA H 37 5.546 5.502 0.044 1
1 431 . 9 1 1 A 37 37 TYR C C 37 176.027 175.005 1.022 1
1 432 . 9 1 1 A 37 37 TYR CA C 37 56.400 57.191 -0.791 1
1 433 . 9 1 1 A 37 37 TYR CB C 37 41.830 41.158 0.672 1
1 436 . 9 1 1 A 37 37 TYR N N 37 118.099 118.680 -0.581 1
1 437 . 9 1 1 A 38 38 SER H H 38 9.208 9.171 0.037 1
1 438 . 9 1 1 A 38 38 SER HA H 38 5.675 5.348 0.327 1
1 441 . 9 1 1 A 38 38 SER C C 38 172.862 172.440 0.422 1
1 442 . 9 1 1 A 38 38 SER CA C 38 57.200 56.485 0.715 1
1 443 . 9 1 1 A 38 38 SER CB C 38 67.430 66.285 1.145 1
1 444 . 9 1 1 A 38 38 SER N N 38 114.608 115.939 -1.331 1
1 445 . 9 1 1 A 39 39 CYS H H 39 9.403 8.630 0.773 1
1 446 . 9 1 1 A 39 39 CYS HA H 39 4.781 4.991 -0.210 1
1 449 . 9 1 1 A 39 39 CYS C C 39 177.931 174.466 3.465 1
1 450 . 9 1 1 A 39 39 CYS CA C 39 58.680 57.794 0.886 1
1 451 . 9 1 1 A 39 39 CYS CB C 39 32.710 31.234 1.476 1
1 452 . 9 1 1 A 39 39 CYS N N 39 127.346 122.169 5.177 1
1 453 . 9 1 1 A 40 40 GLY H H 40 9.147 8.572 0.575 1
1 454 . 9 1 1 A 40 40 GLY HA2 H 40 4.053 4.003 0.050 1
1 455 . 9 1 1 A 40 40 GLY HA3 H 40 3.875 4.018 -0.143 1
1 456 . 9 1 1 A 40 40 GLY C C 40 173.602 175.036 -1.434 1
1 457 . 9 1 1 A 40 40 GLY CA C 40 46.270 44.497 1.773 1
1 458 . 9 1 1 A 40 40 GLY N N 40 119.366 114.419 4.947 1
1 459 . 9 1 1 A 41 41 ARG H H 41 9.279 8.901 0.378 1
1 460 . 9 1 1 A 41 41 ARG HA H 41 4.362 4.211 0.151 1
1 467 . 9 1 1 A 41 41 ARG C C 41 177.601 175.874 1.727 1
1 468 . 9 1 1 A 41 41 ARG CA C 41 58.200 58.102 0.098 1
1 469 . 9 1 1 A 41 41 ARG CB C 41 30.980 30.224 0.756 1
1 472 . 9 1 1 A 41 41 ARG N N 41 123.467 120.280 3.187 1
1 473 . 9 1 1 A 42 42 CYS H H 42 8.759 8.378 0.381 1
1 474 . 9 1 1 A 42 42 CYS HA H 42 4.944 4.615 0.329 1
1 477 . 9 1 1 A 42 42 CYS C C 42 177.160 176.120 1.040 1
1 478 . 9 1 1 A 42 42 CYS CA C 42 58.390 58.426 -0.036 1
1 479 . 9 1 1 A 42 42 CYS CB C 42 33.600 29.803 3.797 1
1 480 . 9 1 1 A 42 42 CYS N N 42 118.328 114.340 3.988 1
1 481 . 9 1 1 A 43 43 GLY H H 43 7.686 7.875 -0.189 1
1 482 . 9 1 1 A 43 43 GLY HA2 H 43 4.251 3.910 0.341 1
1 483 . 9 1 1 A 43 43 GLY HA3 H 43 3.782 3.913 -0.131 1
1 484 . 9 1 1 A 43 43 GLY C C 43 174.122 174.013 0.109 1
1 485 . 9 1 1 A 43 43 GLY CA C 43 46.100 45.892 0.208 1
1 486 . 9 1 1 A 43 43 GLY N N 43 112.843 110.757 2.086 1
1 487 . 9 1 1 A 44 44 TYR H H 44 9.285 7.653 1.632 1
1 488 . 9 1 1 A 44 44 TYR HA H 44 4.109 4.290 -0.181 1
1 495 . 9 1 1 A 44 44 TYR C C 44 174.248 174.932 -0.684 1
1 496 . 9 1 1 A 44 44 TYR CA C 44 60.680 58.194 2.486 1
1 497 . 9 1 1 A 44 44 TYR CB C 44 39.840 38.484 1.356 1
1 500 . 9 1 1 A 44 44 TYR N N 44 127.411 121.974 5.437 1
1 501 . 9 1 1 A 45 45 THR H H 45 7.572 8.615 -1.043 1
1 502 . 9 1 1 A 45 45 THR HA H 45 4.763 4.999 -0.236 1
1 507 . 9 1 1 A 45 45 THR C C 45 171.635 172.707 -1.072 1
1 508 . 9 1 1 A 45 45 THR CA C 45 60.820 61.229 -0.409 1
1 509 . 9 1 1 A 45 45 THR CB C 45 72.660 70.015 2.645 1
1 511 . 9 1 1 A 45 45 THR N N 45 122.481 124.004 -1.523 1
1 512 . 9 1 1 A 46 46 GLU H H 46 8.456 8.720 -0.264 1
1 513 . 9 1 1 A 46 46 GLU HA H 46 4.430 4.608 -0.178 1
1 518 . 9 1 1 A 46 46 GLU C C 46 175.240 175.078 0.162 1
1 519 . 9 1 1 A 46 46 GLU CA C 46 54.100 54.018 0.082 1
1 520 . 9 1 1 A 46 46 GLU CB C 46 33.180 32.873 0.307 1
1 522 . 9 1 1 A 46 46 GLU N N 46 124.924 128.266 -3.342 1
1 523 . 9 1 1 A 47 47 PHE H H 47 9.084 8.724 0.360 1
1 524 . 9 1 1 A 47 47 PHE HA H 47 4.417 4.936 -0.519 1
1 529 . 9 1 1 A 47 47 PHE C C 47 176.987 176.074 0.913 1
1 530 . 9 1 1 A 47 47 PHE CA C 47 59.920 57.255 2.665 1
1 531 . 9 1 1 A 47 47 PHE CB C 47 39.420 41.459 -2.039 1
1 533 . 9 1 1 A 47 47 PHE N N 47 125.357 121.480 3.877 1
1 534 . 9 1 1 A 48 48 LYS H H 48 8.082 8.411 -0.329 1
1 535 . 9 1 1 A 48 48 LYS HA H 48 4.233 4.616 -0.383 1
1 544 . 9 1 1 A 48 48 LYS C C 48 176.278 175.996 0.282 1
1 545 . 9 1 1 A 48 48 LYS CA C 48 57.670 56.328 1.342 1
1 546 . 9 1 1 A 48 48 LYS CB C 48 33.900 33.876 0.024 1
1 550 . 9 1 1 A 48 48 LYS N N 48 122.654 122.066 0.588 1
1 551 . 9 1 1 A 49 49 LYS H H 49 8.475 8.870 -0.395 1
1 552 . 9 1 1 A 49 49 LYS HA H 49 4.299 5.043 -0.744 1
1 561 . 9 1 1 A 49 49 LYS C C 49 175.979 175.892 0.087 1
1 562 . 9 1 1 A 49 49 LYS CA C 49 56.100 54.726 1.374 1
1 563 . 9 1 1 A 49 49 LYS CB C 49 33.090 35.890 -2.800 1
1 567 . 9 1 1 A 49 49 LYS N N 49 121.521 120.076 1.445 1
1 568 . 9 1 1 A 50 50 ALA H H 50 8.250 8.800 -0.550 1
1 569 . 9 1 1 A 50 50 ALA HA H 50 4.264 4.409 -0.145 1
1 573 . 9 1 1 A 50 50 ALA C C 50 177.617 177.084 0.533 1
1 574 . 9 1 1 A 50 50 ALA CA C 50 52.490 52.261 0.229 1
1 575 . 9 1 1 A 50 50 ALA CB C 50 19.420 18.177 1.243 1
1 576 . 9 1 1 A 50 50 ALA N N 50 125.681 127.643 -1.962 1
1 577 . 9 1 1 A 51 51 LYS H H 51 8.279 7.682 0.597 1
1 578 . 9 1 1 A 51 51 LYS HA H 51 4.296 4.452 -0.156 1
1 585 . 9 1 1 A 51 51 LYS C C 51 176.562 175.376 1.186 1
1 586 . 9 1 1 A 51 51 LYS CA C 51 56.300 56.513 -0.213 1
1 587 . 9 1 1 A 51 51 LYS CB C 51 33.090 32.847 0.243 1
1 591 . 9 1 1 A 51 51 LYS N N 51 121.304 121.354 -0.050 1
1 592 . 9 1 1 A 52 52 LYS H H 52 8.312 8.806 -0.494 1
1 593 . 9 1 1 A 52 52 LYS HA H 52 4.298 4.751 -0.453 1
1 598 . 9 1 1 A 52 52 LYS C C 52 176.530 175.718 0.812 1
1 599 . 9 1 1 A 52 52 LYS CA C 52 56.140 55.368 0.772 1
1 600 . 9 1 1 A 52 52 LYS CB C 52 33.180 32.584 0.596 1
1 603 . 9 1 1 A 52 52 LYS N N 52 123.129 128.242 -5.113 1
1 604 . 9 1 1 A 53 53 SER H H 53 8.309 8.696 -0.387 1
1 605 . 9 1 1 A 53 53 SER HA H 53 4.399 4.716 -0.317 1
1 608 . 9 1 1 A 53 53 SER C C 53 174.531 174.369 0.162 1
1 609 . 9 1 1 A 53 53 SER CA C 53 58.140 58.192 -0.052 1
1 610 . 9 1 1 A 53 53 SER CB C 53 63.780 63.267 0.513 1
1 611 . 9 1 1 A 53 53 SER N N 53 117.625 121.416 -3.791 1
1 612 . 9 1 1 A 54 54 LYS H H 54 8.409 8.834 -0.425 1
1 613 . 9 1 1 A 54 54 LYS HA H 54 4.338 5.146 -0.808 1
1 618 . 9 1 1 A 54 54 LYS CA C 54 56.650 54.396 2.254 1
1 619 . 9 1 1 A 54 54 LYS CB C 54 32.920 36.649 -3.729 1
1 621 . 9 1 1 A 54 54 LYS N N 54 123.196 123.972 -0.776 1
1 16 . 10 1 1 A 2 2 GLN H H 2 8.326 7.748 0.578 1
1 17 . 10 1 1 A 2 2 GLN HA H 2 4.252 4.417 -0.165 1
1 18 . 10 1 1 A 2 2 GLN CA C 2 55.970 55.983 -0.013 1
1 19 . 10 1 1 A 2 2 GLN CB C 2 29.990 29.570 0.420 1
1 20 . 10 1 1 A 2 2 GLN N N 2 123.332 117.387 5.945 1
1 21 . 10 1 1 A 3 3 LYS HA H 3 4.229 4.584 -0.355 1
1 22 . 10 1 1 A 3 3 LYS C C 3 176.404 174.534 1.870 1
1 23 . 10 1 1 A 3 3 LYS CA C 3 56.570 55.236 1.334 1
1 24 . 10 1 1 A 3 3 LYS CB C 3 32.880 32.760 0.120 1
1 25 . 10 1 1 A 4 4 ARG H H 4 8.303 8.643 -0.340 1
1 26 . 10 1 1 A 4 4 ARG HA H 4 4.237 4.417 -0.180 1
1 33 . 10 1 1 A 4 4 ARG C C 4 176.656 176.016 0.640 1
1 34 . 10 1 1 A 4 4 ARG CA C 4 56.420 55.838 0.582 1
1 35 . 10 1 1 A 4 4 ARG CB C 4 30.910 29.681 1.229 1
1 38 . 10 1 1 A 4 4 ARG N N 4 122.770 126.549 -3.779 1
1 39 . 10 1 1 A 5 5 GLU H H 5 8.472 8.512 -0.040 1
1 40 . 10 1 1 A 5 5 GLU HA H 5 4.201 4.118 0.083 1
1 45 . 10 1 1 A 5 5 GLU C C 5 176.137 177.060 -0.923 1
1 46 . 10 1 1 A 5 5 GLU CA C 5 56.650 58.533 -1.883 1
1 47 . 10 1 1 A 5 5 GLU CB C 5 30.400 29.858 0.542 1
1 49 . 10 1 1 A 5 5 GLU N N 5 121.724 126.391 -4.667 1
1 50 . 10 1 1 A 6 6 LEU H H 6 8.127 7.796 0.331 1
1 51 . 10 1 1 A 6 6 LEU HA H 6 4.200 4.068 0.132 1
1 61 . 10 1 1 A 6 6 LEU C C 6 176.782 176.557 0.225 1
1 62 . 10 1 1 A 6 6 LEU CA C 6 55.200 55.061 0.139 1
1 63 . 10 1 1 A 6 6 LEU CB C 6 42.520 41.535 0.985 1
1 67 . 10 1 1 A 6 6 LEU N N 6 122.169 119.949 2.220 1
1 68 . 10 1 1 A 7 7 TYR H H 7 7.943 8.569 -0.626 1
1 69 . 10 1 1 A 7 7 TYR HA H 7 4.636 4.702 -0.066 1
1 76 . 10 1 1 A 7 7 TYR C C 7 175.350 176.104 -0.754 1
1 77 . 10 1 1 A 7 7 TYR CA C 7 57.420 58.869 -1.449 1
1 78 . 10 1 1 A 7 7 TYR CB C 7 39.370 40.026 -0.656 1
1 81 . 10 1 1 A 7 7 TYR N N 7 119.193 120.850 -1.657 1
1 82 . 10 1 1 A 8 8 GLU H H 8 8.314 8.292 0.022 1
1 83 . 10 1 1 A 8 8 GLU HA H 8 4.314 4.411 -0.097 1
1 88 . 10 1 1 A 8 8 GLU C C 8 175.665 176.052 -0.387 1
1 89 . 10 1 1 A 8 8 GLU CA C 8 55.880 58.735 -2.855 1
1 90 . 10 1 1 A 8 8 GLU CB C 8 31.100 28.478 2.622 1
1 92 . 10 1 1 A 8 8 GLU N N 8 121.754 117.443 4.311 1
1 93 . 10 1 1 A 9 9 ILE H H 9 8.116 8.380 -0.264 1
1 94 . 10 1 1 A 9 9 ILE HA H 9 4.204 4.840 -0.636 1
1 104 . 10 1 1 A 9 9 ILE C C 9 176.058 175.507 0.551 1
1 105 . 10 1 1 A 9 9 ILE CA C 9 60.640 59.458 1.182 1
1 106 . 10 1 1 A 9 9 ILE CB C 9 38.440 40.573 -2.133 1
1 110 . 10 1 1 A 9 9 ILE N N 9 121.966 119.202 2.764 1
1 111 . 10 1 1 A 10 10 ALA H H 10 8.472 8.599 -0.127 1
1 112 . 10 1 1 A 10 10 ALA HA H 10 4.342 4.537 -0.195 1
1 116 . 10 1 1 A 10 10 ALA C C 10 177.286 176.033 1.253 1
1 117 . 10 1 1 A 10 10 ALA CA C 10 52.450 52.969 -0.519 1
1 118 . 10 1 1 A 10 10 ALA CB C 10 19.420 21.764 -2.344 1
1 119 . 10 1 1 A 10 10 ALA N N 10 128.558 123.776 4.782 1
1 120 . 10 1 1 A 11 11 ASP H H 11 8.423 7.990 0.433 1
1 121 . 10 1 1 A 11 11 ASP HA H 11 4.423 5.113 -0.690 1
1 124 . 10 1 1 A 11 11 ASP C C 11 176.798 174.997 1.801 1
1 125 . 10 1 1 A 11 11 ASP CA C 11 54.780 52.426 2.354 1
1 126 . 10 1 1 A 11 11 ASP CB C 11 40.900 44.592 -3.692 1
1 127 . 10 1 1 A 11 11 ASP N N 11 120.945 117.326 3.619 1
1 128 . 10 1 1 A 12 12 GLY H H 12 8.263 8.388 -0.125 1
1 129 . 10 1 1 A 12 12 GLY HA2 H 12 3.928 4.182 -0.254 1
1 130 . 10 1 1 A 12 12 GLY HA3 H 12 3.765 4.186 -0.421 1
1 131 . 10 1 1 A 12 12 GLY C C 12 174.326 172.665 1.661 1
1 132 . 10 1 1 A 12 12 GLY CA C 12 45.630 45.681 -0.051 1
1 133 . 10 1 1 A 12 12 GLY N N 12 107.572 109.871 -2.299 1
1 134 . 10 1 1 A 13 13 LYS H H 13 7.974 8.578 -0.604 1
1 135 . 10 1 1 A 13 13 LYS HA H 13 4.286 4.448 -0.162 1
1 144 . 10 1 1 A 13 13 LYS C C 13 176.105 175.173 0.932 1
1 145 . 10 1 1 A 13 13 LYS CA C 13 55.970 55.458 0.512 1
1 146 . 10 1 1 A 13 13 LYS CB C 13 33.000 31.096 1.904 1
1 150 . 10 1 1 A 13 13 LYS N N 13 120.339 125.384 -5.045 1
1 151 . 10 1 1 A 14 14 LEU H H 14 8.103 8.156 -0.053 1
1 152 . 10 1 1 A 14 14 LEU HA H 14 4.355 4.887 -0.532 1
1 162 . 10 1 1 A 14 14 LEU C C 14 177.050 176.621 0.429 1
1 163 . 10 1 1 A 14 14 LEU CA C 14 54.990 53.332 1.658 1
1 164 . 10 1 1 A 14 14 LEU CB C 14 42.180 42.360 -0.180 1
1 168 . 10 1 1 A 14 14 LEU N N 14 122.169 126.557 -4.388 1
1 169 . 10 1 1 A 15 15 VAL H H 15 8.236 8.570 -0.334 1
1 170 . 10 1 1 A 15 15 VAL HA H 15 4.090 3.767 0.323 1
1 178 . 10 1 1 A 15 15 VAL C C 15 175.680 176.501 -0.821 1
1 179 . 10 1 1 A 15 15 VAL CA C 15 62.000 63.727 -1.727 1
1 180 . 10 1 1 A 15 15 VAL CB C 15 33.050 31.598 1.452 1
1 182 . 10 1 1 A 15 15 VAL N N 15 122.264 124.788 -2.524 1
1 183 . 10 1 1 A 16 16 ARG H H 16 8.293 8.906 -0.613 1
1 184 . 10 1 1 A 16 16 ARG HA H 16 4.187 4.207 -0.020 1
1 191 . 10 1 1 A 16 16 ARG C C 16 175.822 176.139 -0.317 1
1 192 . 10 1 1 A 16 16 ARG CA C 16 55.820 56.977 -1.157 1
1 193 . 10 1 1 A 16 16 ARG CB C 16 30.820 29.183 1.637 1
1 196 . 10 1 1 A 16 16 ARG N N 16 124.903 122.936 1.967 1
1 197 . 10 1 1 A 17 17 LYS H H 17 8.239 8.602 -0.363 1
1 198 . 10 1 1 A 17 17 LYS HA H 17 4.130 4.138 -0.008 1
1 207 . 10 1 1 A 17 17 LYS C C 17 175.995 176.753 -0.758 1
1 208 . 10 1 1 A 17 17 LYS CA C 17 56.270 59.206 -2.936 1
1 209 . 10 1 1 A 17 17 LYS CB C 17 33.130 32.489 0.641 1
1 213 . 10 1 1 A 17 17 LYS N N 17 123.108 125.265 -2.157 1
1 214 . 10 1 1 A 18 18 HIS H H 18 8.067 8.085 -0.018 1
1 215 . 10 1 1 A 18 18 HIS HA H 18 4.572 4.116 0.456 1
1 218 . 10 1 1 A 18 18 HIS C C 18 174.736 174.100 0.636 1
1 219 . 10 1 1 A 18 18 HIS CA C 18 55.460 56.047 -0.587 1
1 220 . 10 1 1 A 18 18 HIS CB C 18 31.390 27.997 3.393 1
1 221 . 10 1 1 A 18 18 HIS N N 18 120.275 115.012 5.263 1
1 222 . 10 1 1 A 19 19 ARG H H 19 8.767 8.615 0.152 1
1 223 . 10 1 1 A 19 19 ARG HA H 19 4.254 4.575 -0.321 1
1 230 . 10 1 1 A 19 19 ARG C C 19 175.790 175.253 0.537 1
1 231 . 10 1 1 A 19 19 ARG CA C 19 55.480 55.193 0.287 1
1 232 . 10 1 1 A 19 19 ARG CB C 19 32.050 31.696 0.354 1
1 235 . 10 1 1 A 19 19 ARG N N 19 122.186 122.606 -0.420 1
1 236 . 10 1 1 A 20 20 PHE H H 20 7.866 8.958 -1.092 1
1 237 . 10 1 1 A 20 20 PHE HA H 20 5.296 5.057 0.239 1
1 245 . 10 1 1 A 20 20 PHE C C 20 174.673 175.420 -0.747 1
1 246 . 10 1 1 A 20 20 PHE CA C 20 54.520 56.396 -1.876 1
1 247 . 10 1 1 A 20 20 PHE CB C 20 40.050 41.641 -1.591 1
1 251 . 10 1 1 A 20 20 PHE N N 20 120.369 120.953 -0.584 1
1 252 . 10 1 1 A 21 21 CYS H H 21 8.557 8.656 -0.099 1
1 253 . 10 1 1 A 21 21 CYS HA H 21 4.062 4.521 -0.459 1
1 256 . 10 1 1 A 21 21 CYS CA C 21 56.880 56.388 0.492 1
1 257 . 10 1 1 A 21 21 CYS CB C 21 30.710 28.779 1.931 1
1 258 . 10 1 1 A 21 21 CYS N N 21 123.994 121.657 2.337 1
1 259 . 10 1 1 A 22 22 PRO HA H 22 4.211 4.265 -0.054 1
1 266 . 10 1 1 A 22 22 PRO C C 22 177.475 178.846 -1.371 1
1 267 . 10 1 1 A 22 22 PRO CA C 22 64.260 65.610 -1.350 1
1 268 . 10 1 1 A 22 22 PRO CB C 22 31.730 31.437 0.293 1
1 271 . 10 1 1 A 23 23 ARG H H 23 8.569 8.234 0.335 1
1 272 . 10 1 1 A 23 23 ARG HA H 23 4.223 4.087 0.136 1
1 279 . 10 1 1 A 23 23 ARG C C 23 178.246 177.713 0.533 1
1 280 . 10 1 1 A 23 23 ARG CA C 23 58.030 58.344 -0.314 1
1 281 . 10 1 1 A 23 23 ARG CB C 23 31.240 30.825 0.415 1
1 284 . 10 1 1 A 23 23 ARG N N 23 121.075 117.709 3.366 1
1 285 . 10 1 1 A 24 24 CYS H H 24 9.550 8.060 1.490 1
1 286 . 10 1 1 A 24 24 CYS HA H 24 3.872 4.546 -0.674 1
1 289 . 10 1 1 A 24 24 CYS C C 24 177.302 175.821 1.481 1
1 290 . 10 1 1 A 24 24 CYS CA C 24 63.060 59.798 3.262 1
1 291 . 10 1 1 A 24 24 CYS CB C 24 30.120 27.933 2.187 1
1 292 . 10 1 1 A 24 24 CYS N N 24 123.692 117.293 6.399 1
1 293 . 10 1 1 A 25 25 GLY H H 25 8.166 8.360 -0.194 1
1 294 . 10 1 1 A 25 25 GLY HA2 H 25 4.142 3.836 0.306 1
1 295 . 10 1 1 A 25 25 GLY HA3 H 25 3.623 3.971 -0.348 1
1 296 . 10 1 1 A 25 25 GLY CA C 25 44.640 48.130 -3.490 1
1 297 . 10 1 1 A 25 25 GLY N N 25 107.593 109.624 -2.031 1
1 298 . 10 1 1 A 26 26 PRO HA H 26 2.807 4.215 -1.408 1
1 305 . 10 1 1 A 26 26 PRO C C 26 176.940 177.609 -0.669 1
1 306 . 10 1 1 A 26 26 PRO CA C 26 63.060 63.823 -0.763 1
1 307 . 10 1 1 A 26 26 PRO CB C 26 31.650 31.229 0.421 1
1 310 . 10 1 1 A 27 27 GLY H H 27 6.847 8.659 -1.812 1
1 311 . 10 1 1 A 27 27 GLY HA2 H 27 3.800 3.940 -0.140 1
1 312 . 10 1 1 A 27 27 GLY HA3 H 27 3.334 3.971 -0.637 1
1 313 . 10 1 1 A 27 27 GLY C C 27 172.705 173.842 -1.137 1
1 314 . 10 1 1 A 27 27 GLY CA C 27 44.400 45.337 -0.937 1
1 315 . 10 1 1 A 27 27 GLY N N 27 108.726 113.010 -4.284 1
1 316 . 10 1 1 A 28 28 VAL H H 28 7.416 7.791 -0.375 1
1 317 . 10 1 1 A 28 28 VAL HA H 28 3.964 4.341 -0.377 1
1 325 . 10 1 1 A 28 28 VAL C C 28 174.626 175.582 -0.956 1
1 326 . 10 1 1 A 28 28 VAL CA C 28 62.040 61.509 0.531 1
1 327 . 10 1 1 A 28 28 VAL CB C 28 32.080 33.048 -0.968 1
1 330 . 10 1 1 A 28 28 VAL N N 28 123.159 122.066 1.093 1
1 331 . 10 1 1 A 29 29 PHE H H 29 8.484 9.231 -0.747 1
1 332 . 10 1 1 A 29 29 PHE HA H 29 4.905 4.751 0.154 1
1 340 . 10 1 1 A 29 29 PHE C C 29 177.349 174.669 2.680 1
1 341 . 10 1 1 A 29 29 PHE CA C 29 57.800 56.678 1.122 1
1 342 . 10 1 1 A 29 29 PHE CB C 29 40.050 40.853 -0.803 1
1 346 . 10 1 1 A 29 29 PHE N N 29 124.513 126.330 -1.817 1
1 347 . 10 1 1 A 30 30 LEU H H 30 8.615 8.640 -0.025 1
1 348 . 10 1 1 A 30 30 LEU HA H 30 4.425 4.948 -0.523 1
1 358 . 10 1 1 A 30 30 LEU C C 30 176.877 175.606 1.271 1
1 359 . 10 1 1 A 30 30 LEU CA C 30 54.180 53.633 0.547 1
1 360 . 10 1 1 A 30 30 LEU CB C 30 42.470 44.932 -2.462 1
1 364 . 10 1 1 A 30 30 LEU N N 30 120.729 121.861 -1.132 1
1 365 . 10 1 1 A 31 31 ALA H H 31 9.109 8.586 0.523 1
1 366 . 10 1 1 A 31 31 ALA HA H 31 4.502 4.547 -0.045 1
1 370 . 10 1 1 A 31 31 ALA C C 31 176.231 176.630 -0.399 1
1 371 . 10 1 1 A 31 31 ALA CA C 31 51.170 52.548 -1.378 1
1 372 . 10 1 1 A 31 31 ALA CB C 31 20.140 19.011 1.129 1
1 373 . 10 1 1 A 31 31 ALA N N 31 126.827 129.918 -3.091 1
1 374 . 10 1 1 A 32 32 GLU H H 32 8.580 8.809 -0.229 1
1 375 . 10 1 1 A 32 32 GLU HA H 32 4.172 4.561 -0.389 1
1 380 . 10 1 1 A 32 32 GLU C C 32 174.736 175.272 -0.536 1
1 381 . 10 1 1 A 32 32 GLU CA C 32 56.140 55.866 0.274 1
1 382 . 10 1 1 A 32 32 GLU CB C 32 30.540 30.264 0.276 1
1 384 . 10 1 1 A 32 32 GLU N N 32 122.632 125.994 -3.362 1
1 385 . 10 1 1 A 33 33 HIS H H 33 8.596 8.885 -0.289 1
1 386 . 10 1 1 A 33 33 HIS HA H 33 4.816 4.781 0.035 1
1 390 . 10 1 1 A 33 33 HIS CA C 33 53.900 54.952 -1.052 1
1 391 . 10 1 1 A 33 33 HIS CB C 33 33.160 32.973 0.187 1
1 393 . 10 1 1 A 33 33 HIS N N 33 126.719 124.353 2.366 1
1 394 . 10 1 1 A 34 34 ALA HA H 34 4.011 3.895 0.116 1
1 398 . 10 1 1 A 34 34 ALA C C 34 178.514 178.815 -0.301 1
1 399 . 10 1 1 A 34 34 ALA CA C 34 55.850 55.009 0.841 1
1 400 . 10 1 1 A 34 34 ALA CB C 34 18.060 18.410 -0.350 1
1 401 . 10 1 1 A 35 35 ASP H H 35 8.241 7.779 0.462 1
1 402 . 10 1 1 A 35 35 ASP HA H 35 4.737 4.506 0.231 1
1 405 . 10 1 1 A 35 35 ASP C C 35 177.003 175.822 1.181 1
1 406 . 10 1 1 A 35 35 ASP CA C 35 53.040 55.872 -2.832 1
1 407 . 10 1 1 A 35 35 ASP CB C 35 41.840 42.364 -0.524 1
1 408 . 10 1 1 A 35 35 ASP N N 35 108.393 116.845 -8.452 1
1 409 . 10 1 1 A 36 36 ARG H H 36 7.175 7.594 -0.419 1
1 410 . 10 1 1 A 36 36 ARG HA H 36 4.940 4.419 0.521 1
1 417 . 10 1 1 A 36 36 ARG C C 36 171.430 173.380 -1.950 1
1 418 . 10 1 1 A 36 36 ARG CA C 36 54.670 54.934 -0.264 1
1 419 . 10 1 1 A 36 36 ARG CB C 36 31.550 32.036 -0.486 1
1 422 . 10 1 1 A 36 36 ARG N N 36 116.403 115.053 1.350 1
1 423 . 10 1 1 A 37 37 TYR H H 37 9.025 9.229 -0.204 1
1 424 . 10 1 1 A 37 37 TYR HA H 37 5.546 5.845 -0.299 1
1 431 . 10 1 1 A 37 37 TYR C C 37 176.027 175.348 0.679 1
1 432 . 10 1 1 A 37 37 TYR CA C 37 56.400 57.170 -0.770 1
1 433 . 10 1 1 A 37 37 TYR CB C 37 41.830 41.303 0.527 1
1 436 . 10 1 1 A 37 37 TYR N N 37 118.099 118.656 -0.557 1
1 437 . 10 1 1 A 38 38 SER H H 38 9.208 8.639 0.569 1
1 438 . 10 1 1 A 38 38 SER HA H 38 5.675 5.322 0.353 1
1 441 . 10 1 1 A 38 38 SER C C 38 172.862 172.739 0.123 1
1 442 . 10 1 1 A 38 38 SER CA C 38 57.200 57.348 -0.148 1
1 443 . 10 1 1 A 38 38 SER CB C 38 67.430 66.651 0.779 1
1 444 . 10 1 1 A 38 38 SER N N 38 114.608 114.789 -0.181 1
1 445 . 10 1 1 A 39 39 CYS H H 39 9.403 8.400 1.003 1
1 446 . 10 1 1 A 39 39 CYS HA H 39 4.781 4.974 -0.193 1
1 449 . 10 1 1 A 39 39 CYS C C 39 177.931 174.438 3.493 1
1 450 . 10 1 1 A 39 39 CYS CA C 39 58.680 57.644 1.036 1
1 451 . 10 1 1 A 39 39 CYS CB C 39 32.710 31.340 1.370 1
1 452 . 10 1 1 A 39 39 CYS N N 39 127.346 119.525 7.821 1
1 453 . 10 1 1 A 40 40 GLY H H 40 9.147 8.557 0.590 1
1 454 . 10 1 1 A 40 40 GLY HA2 H 40 4.053 3.994 0.059 1
1 455 . 10 1 1 A 40 40 GLY HA3 H 40 3.875 4.013 -0.138 1
1 456 . 10 1 1 A 40 40 GLY C C 40 173.602 175.030 -1.428 1
1 457 . 10 1 1 A 40 40 GLY CA C 40 46.270 44.469 1.801 1
1 458 . 10 1 1 A 40 40 GLY N N 40 119.366 114.227 5.139 1
1 459 . 10 1 1 A 41 41 ARG H H 41 9.279 8.909 0.370 1
1 460 . 10 1 1 A 41 41 ARG HA H 41 4.362 4.212 0.150 1
1 467 . 10 1 1 A 41 41 ARG C C 41 177.601 175.763 1.838 1
1 468 . 10 1 1 A 41 41 ARG CA C 41 58.200 58.090 0.110 1
1 469 . 10 1 1 A 41 41 ARG CB C 41 30.980 30.224 0.756 1
1 472 . 10 1 1 A 41 41 ARG N N 41 123.467 120.980 2.487 1
1 473 . 10 1 1 A 42 42 CYS H H 42 8.759 8.273 0.486 1
1 474 . 10 1 1 A 42 42 CYS HA H 42 4.944 4.627 0.317 1
1 477 . 10 1 1 A 42 42 CYS C C 42 177.160 176.110 1.050 1
1 478 . 10 1 1 A 42 42 CYS CA C 42 58.390 58.463 -0.073 1
1 479 . 10 1 1 A 42 42 CYS CB C 42 33.600 29.678 3.922 1
1 480 . 10 1 1 A 42 42 CYS N N 42 118.328 114.063 4.265 1
1 481 . 10 1 1 A 43 43 GLY H H 43 7.686 7.846 -0.160 1
1 482 . 10 1 1 A 43 43 GLY HA2 H 43 4.251 3.909 0.342 1
1 483 . 10 1 1 A 43 43 GLY HA3 H 43 3.782 3.909 -0.127 1
1 484 . 10 1 1 A 43 43 GLY C C 43 174.122 174.117 0.005 1
1 485 . 10 1 1 A 43 43 GLY CA C 43 46.100 46.157 -0.057 1
1 486 . 10 1 1 A 43 43 GLY N N 43 112.843 110.930 1.913 1
1 487 . 10 1 1 A 44 44 TYR H H 44 9.285 7.654 1.631 1
1 488 . 10 1 1 A 44 44 TYR HA H 44 4.109 4.374 -0.265 1
1 495 . 10 1 1 A 44 44 TYR C C 44 174.248 174.973 -0.725 1
1 496 . 10 1 1 A 44 44 TYR CA C 44 60.680 58.381 2.299 1
1 497 . 10 1 1 A 44 44 TYR CB C 44 39.840 38.865 0.975 1
1 500 . 10 1 1 A 44 44 TYR N N 44 127.411 121.687 5.724 1
1 501 . 10 1 1 A 45 45 THR H H 45 7.572 8.446 -0.874 1
1 502 . 10 1 1 A 45 45 THR HA H 45 4.763 4.861 -0.098 1
1 507 . 10 1 1 A 45 45 THR C C 45 171.635 172.621 -0.986 1
1 508 . 10 1 1 A 45 45 THR CA C 45 60.820 60.577 0.243 1
1 509 . 10 1 1 A 45 45 THR CB C 45 72.660 71.548 1.112 1
1 511 . 10 1 1 A 45 45 THR N N 45 122.481 124.333 -1.852 1
1 512 . 10 1 1 A 46 46 GLU H H 46 8.456 8.436 0.020 1
1 513 . 10 1 1 A 46 46 GLU HA H 46 4.430 4.615 -0.185 1
1 518 . 10 1 1 A 46 46 GLU C C 46 175.240 174.948 0.292 1
1 519 . 10 1 1 A 46 46 GLU CA C 46 54.100 55.108 -1.008 1
1 520 . 10 1 1 A 46 46 GLU CB C 46 33.180 33.572 -0.392 1
1 522 . 10 1 1 A 46 46 GLU N N 46 124.924 126.658 -1.734 1
1 523 . 10 1 1 A 47 47 PHE H H 47 9.084 8.842 0.242 1
1 524 . 10 1 1 A 47 47 PHE HA H 47 4.417 4.718 -0.301 1
1 529 . 10 1 1 A 47 47 PHE C C 47 176.987 175.873 1.114 1
1 530 . 10 1 1 A 47 47 PHE CA C 47 59.920 58.401 1.519 1
1 531 . 10 1 1 A 47 47 PHE CB C 47 39.420 39.793 -0.373 1
1 533 . 10 1 1 A 47 47 PHE N N 47 125.357 124.858 0.499 1
1 534 . 10 1 1 A 48 48 LYS H H 48 8.082 8.184 -0.102 1
1 535 . 10 1 1 A 48 48 LYS HA H 48 4.233 4.207 0.026 1
1 544 . 10 1 1 A 48 48 LYS C C 48 176.278 175.619 0.659 1
1 545 . 10 1 1 A 48 48 LYS CA C 48 57.670 56.708 0.962 1
1 546 . 10 1 1 A 48 48 LYS CB C 48 33.900 32.544 1.356 1
1 550 . 10 1 1 A 48 48 LYS N N 48 122.654 122.221 0.433 1
1 551 . 10 1 1 A 49 49 LYS H H 49 8.475 8.860 -0.385 1
1 552 . 10 1 1 A 49 49 LYS HA H 49 4.299 4.764 -0.465 1
1 561 . 10 1 1 A 49 49 LYS C C 49 175.979 176.722 -0.743 1
1 562 . 10 1 1 A 49 49 LYS CA C 49 56.100 55.340 0.760 1
1 563 . 10 1 1 A 49 49 LYS CB C 49 33.090 32.394 0.696 1
1 567 . 10 1 1 A 49 49 LYS N N 49 121.521 125.424 -3.903 1
1 568 . 10 1 1 A 50 50 ALA H H 50 8.250 8.376 -0.126 1
1 569 . 10 1 1 A 50 50 ALA HA H 50 4.264 4.159 0.105 1
1 573 . 10 1 1 A 50 50 ALA C C 50 177.617 176.772 0.845 1
1 574 . 10 1 1 A 50 50 ALA CA C 50 52.490 53.529 -1.039 1
1 575 . 10 1 1 A 50 50 ALA CB C 50 19.420 18.226 1.194 1
1 576 . 10 1 1 A 50 50 ALA N N 50 125.681 122.031 3.650 1
1 577 . 10 1 1 A 51 51 LYS H H 51 8.279 8.921 -0.642 1
1 578 . 10 1 1 A 51 51 LYS HA H 51 4.296 4.941 -0.645 1
1 585 . 10 1 1 A 51 51 LYS C C 51 176.562 175.389 1.173 1
1 586 . 10 1 1 A 51 51 LYS CA C 51 56.300 54.517 1.783 1
1 587 . 10 1 1 A 51 51 LYS CB C 51 33.090 35.552 -2.462 1
1 591 . 10 1 1 A 51 51 LYS N N 51 121.304 122.762 -1.458 1
1 592 . 10 1 1 A 52 52 LYS H H 52 8.312 8.526 -0.214 1
1 593 . 10 1 1 A 52 52 LYS HA H 52 4.298 4.924 -0.626 1
1 598 . 10 1 1 A 52 52 LYS C C 52 176.530 175.993 0.537 1
1 599 . 10 1 1 A 52 52 LYS CA C 52 56.140 55.046 1.094 1
1 600 . 10 1 1 A 52 52 LYS CB C 52 33.180 35.656 -2.476 1
1 603 . 10 1 1 A 52 52 LYS N N 52 123.129 118.312 4.817 1
1 604 . 10 1 1 A 53 53 SER H H 53 8.309 8.773 -0.464 1
1 605 . 10 1 1 A 53 53 SER HA H 53 4.399 4.288 0.111 1
1 608 . 10 1 1 A 53 53 SER C C 53 174.531 174.585 -0.054 1
1 609 . 10 1 1 A 53 53 SER CA C 53 58.140 60.728 -2.588 1
1 610 . 10 1 1 A 53 53 SER CB C 53 63.780 61.941 1.839 1
1 611 . 10 1 1 A 53 53 SER N N 53 117.625 115.800 1.825 1
1 612 . 10 1 1 A 54 54 LYS H H 54 8.409 8.558 -0.149 1
1 613 . 10 1 1 A 54 54 LYS HA H 54 4.338 4.569 -0.231 1
1 618 . 10 1 1 A 54 54 LYS CA C 54 56.650 56.160 0.490 1
1 619 . 10 1 1 A 54 54 LYS CB C 54 32.920 32.748 0.172 1
1 621 . 10 1 1 A 54 54 LYS N N 54 123.196 122.421 0.775 1
1 16 . 11 1 1 A 2 2 GLN H H 2 8.326 8.737 -0.411 1
1 17 . 11 1 1 A 2 2 GLN HA H 2 4.252 4.401 -0.149 1
1 18 . 11 1 1 A 2 2 GLN CA C 2 55.970 55.822 0.148 1
1 19 . 11 1 1 A 2 2 GLN CB C 2 29.990 28.339 1.651 1
1 20 . 11 1 1 A 2 2 GLN N N 2 123.332 125.304 -1.972 1
1 21 . 11 1 1 A 3 3 LYS HA H 3 4.229 4.476 -0.247 1
1 22 . 11 1 1 A 3 3 LYS C C 3 176.404 176.711 -0.307 1
1 23 . 11 1 1 A 3 3 LYS CA C 3 56.570 56.922 -0.352 1
1 24 . 11 1 1 A 3 3 LYS CB C 3 32.880 33.806 -0.926 1
1 25 . 11 1 1 A 4 4 ARG H H 4 8.303 7.694 0.609 1
1 26 . 11 1 1 A 4 4 ARG HA H 4 4.237 4.846 -0.609 1
1 33 . 11 1 1 A 4 4 ARG C C 4 176.656 175.463 1.193 1
1 34 . 11 1 1 A 4 4 ARG CA C 4 56.420 54.332 2.088 1
1 35 . 11 1 1 A 4 4 ARG CB C 4 30.910 34.681 -3.771 1
1 38 . 11 1 1 A 4 4 ARG N N 4 122.770 117.038 5.732 1
1 39 . 11 1 1 A 5 5 GLU H H 5 8.472 8.882 -0.410 1
1 40 . 11 1 1 A 5 5 GLU HA H 5 4.201 4.514 -0.313 1
1 45 . 11 1 1 A 5 5 GLU C C 5 176.137 176.224 -0.087 1
1 46 . 11 1 1 A 5 5 GLU CA C 5 56.650 58.025 -1.375 1
1 47 . 11 1 1 A 5 5 GLU CB C 5 30.400 31.719 -1.319 1
1 49 . 11 1 1 A 5 5 GLU N N 5 121.724 121.737 -0.013 1
1 50 . 11 1 1 A 6 6 LEU H H 6 8.127 7.902 0.225 1
1 51 . 11 1 1 A 6 6 LEU HA H 6 4.200 4.237 -0.037 1
1 61 . 11 1 1 A 6 6 LEU C C 6 176.782 175.776 1.006 1
1 62 . 11 1 1 A 6 6 LEU CA C 6 55.200 55.188 0.012 1
1 63 . 11 1 1 A 6 6 LEU CB C 6 42.520 42.652 -0.132 1
1 67 . 11 1 1 A 6 6 LEU N N 6 122.169 121.229 0.940 1
1 68 . 11 1 1 A 7 7 TYR H H 7 7.943 8.485 -0.542 1
1 69 . 11 1 1 A 7 7 TYR HA H 7 4.636 5.371 -0.735 1
1 76 . 11 1 1 A 7 7 TYR C C 7 175.350 172.492 2.858 1
1 77 . 11 1 1 A 7 7 TYR CA C 7 57.420 55.350 2.070 1
1 78 . 11 1 1 A 7 7 TYR CB C 7 39.370 41.714 -2.344 1
1 81 . 11 1 1 A 7 7 TYR N N 7 119.193 117.718 1.475 1
1 82 . 11 1 1 A 8 8 GLU H H 8 8.314 8.953 -0.639 1
1 83 . 11 1 1 A 8 8 GLU HA H 8 4.314 4.669 -0.355 1
1 88 . 11 1 1 A 8 8 GLU C C 8 175.665 177.145 -1.480 1
1 89 . 11 1 1 A 8 8 GLU CA C 8 55.880 56.209 -0.329 1
1 90 . 11 1 1 A 8 8 GLU CB C 8 31.100 30.433 0.667 1
1 92 . 11 1 1 A 8 8 GLU N N 8 121.754 120.418 1.336 1
1 93 . 11 1 1 A 9 9 ILE H H 9 8.116 8.657 -0.541 1
1 94 . 11 1 1 A 9 9 ILE HA H 9 4.204 4.502 -0.298 1
1 104 . 11 1 1 A 9 9 ILE C C 9 176.058 176.204 -0.146 1
1 105 . 11 1 1 A 9 9 ILE CA C 9 60.640 60.982 -0.342 1
1 106 . 11 1 1 A 9 9 ILE CB C 9 38.440 40.240 -1.800 1
1 110 . 11 1 1 A 9 9 ILE N N 9 121.966 118.885 3.081 1
1 111 . 11 1 1 A 10 10 ALA H H 10 8.472 7.591 0.881 1
1 112 . 11 1 1 A 10 10 ALA HA H 10 4.342 4.243 0.099 1
1 116 . 11 1 1 A 10 10 ALA C C 10 177.286 176.693 0.593 1
1 117 . 11 1 1 A 10 10 ALA CA C 10 52.450 52.544 -0.094 1
1 118 . 11 1 1 A 10 10 ALA CB C 10 19.420 19.314 0.106 1
1 119 . 11 1 1 A 10 10 ALA N N 10 128.558 126.818 1.740 1
1 120 . 11 1 1 A 11 11 ASP H H 11 8.423 8.808 -0.385 1
1 121 . 11 1 1 A 11 11 ASP HA H 11 4.423 4.773 -0.350 1
1 124 . 11 1 1 A 11 11 ASP C C 11 176.798 176.359 0.439 1
1 125 . 11 1 1 A 11 11 ASP CA C 11 54.780 55.739 -0.959 1
1 126 . 11 1 1 A 11 11 ASP CB C 11 40.900 42.412 -1.512 1
1 127 . 11 1 1 A 11 11 ASP N N 11 120.945 123.741 -2.796 1
1 128 . 11 1 1 A 12 12 GLY H H 12 8.263 8.135 0.128 1
1 129 . 11 1 1 A 12 12 GLY HA2 H 12 3.928 3.928 0.000 1
1 130 . 11 1 1 A 12 12 GLY HA3 H 12 3.765 3.930 -0.165 1
1 131 . 11 1 1 A 12 12 GLY C C 12 174.326 174.213 0.113 1
1 132 . 11 1 1 A 12 12 GLY CA C 12 45.630 47.241 -1.611 1
1 133 . 11 1 1 A 12 12 GLY N N 12 107.572 107.411 0.161 1
1 134 . 11 1 1 A 13 13 LYS H H 13 7.974 7.864 0.110 1
1 135 . 11 1 1 A 13 13 LYS HA H 13 4.286 4.253 0.033 1
1 144 . 11 1 1 A 13 13 LYS C C 13 176.105 176.251 -0.146 1
1 145 . 11 1 1 A 13 13 LYS CA C 13 55.970 56.722 -0.752 1
1 146 . 11 1 1 A 13 13 LYS CB C 13 33.000 33.184 -0.184 1
1 150 . 11 1 1 A 13 13 LYS N N 13 120.339 125.951 -5.612 1
1 151 . 11 1 1 A 14 14 LEU H H 14 8.103 9.071 -0.968 1
1 152 . 11 1 1 A 14 14 LEU HA H 14 4.355 4.913 -0.558 1
1 162 . 11 1 1 A 14 14 LEU C C 14 177.050 175.558 1.492 1
1 163 . 11 1 1 A 14 14 LEU CA C 14 54.990 53.278 1.712 1
1 164 . 11 1 1 A 14 14 LEU CB C 14 42.180 42.392 -0.212 1
1 168 . 11 1 1 A 14 14 LEU N N 14 122.169 129.531 -7.362 1
1 169 . 11 1 1 A 15 15 VAL H H 15 8.236 8.950 -0.714 1
1 170 . 11 1 1 A 15 15 VAL HA H 15 4.090 4.071 0.019 1
1 178 . 11 1 1 A 15 15 VAL C C 15 175.680 175.303 0.377 1
1 179 . 11 1 1 A 15 15 VAL CA C 15 62.000 62.857 -0.857 1
1 180 . 11 1 1 A 15 15 VAL CB C 15 33.050 31.378 1.672 1
1 182 . 11 1 1 A 15 15 VAL N N 15 122.264 124.907 -2.643 1
1 183 . 11 1 1 A 16 16 ARG H H 16 8.293 8.812 -0.519 1
1 184 . 11 1 1 A 16 16 ARG HA H 16 4.187 4.458 -0.271 1
1 191 . 11 1 1 A 16 16 ARG C C 16 175.822 176.008 -0.186 1
1 192 . 11 1 1 A 16 16 ARG CA C 16 55.820 57.601 -1.781 1
1 193 . 11 1 1 A 16 16 ARG CB C 16 30.820 30.850 -0.030 1
1 196 . 11 1 1 A 16 16 ARG N N 16 124.903 127.723 -2.820 1
1 197 . 11 1 1 A 17 17 LYS H H 17 8.239 7.958 0.281 1
1 198 . 11 1 1 A 17 17 LYS HA H 17 4.130 4.425 -0.295 1
1 207 . 11 1 1 A 17 17 LYS C C 17 175.995 175.835 0.160 1
1 208 . 11 1 1 A 17 17 LYS CA C 17 56.270 55.374 0.896 1
1 209 . 11 1 1 A 17 17 LYS CB C 17 33.130 30.604 2.526 1
1 213 . 11 1 1 A 17 17 LYS N N 17 123.108 119.578 3.530 1
1 214 . 11 1 1 A 18 18 HIS H H 18 8.067 7.747 0.320 1
1 215 . 11 1 1 A 18 18 HIS HA H 18 4.572 4.738 -0.166 1
1 218 . 11 1 1 A 18 18 HIS C C 18 174.736 173.872 0.864 1
1 219 . 11 1 1 A 18 18 HIS CA C 18 55.460 55.089 0.371 1
1 220 . 11 1 1 A 18 18 HIS CB C 18 31.390 30.976 0.414 1
1 221 . 11 1 1 A 18 18 HIS N N 18 120.275 123.485 -3.210 1
1 222 . 11 1 1 A 19 19 ARG H H 19 8.767 7.609 1.158 1
1 223 . 11 1 1 A 19 19 ARG HA H 19 4.254 4.574 -0.320 1
1 230 . 11 1 1 A 19 19 ARG C C 19 175.790 175.176 0.614 1
1 231 . 11 1 1 A 19 19 ARG CA C 19 55.480 55.517 -0.037 1
1 232 . 11 1 1 A 19 19 ARG CB C 19 32.050 31.259 0.791 1
1 235 . 11 1 1 A 19 19 ARG N N 19 122.186 120.889 1.297 1
1 236 . 11 1 1 A 20 20 PHE H H 20 7.866 9.030 -1.164 1
1 237 . 11 1 1 A 20 20 PHE HA H 20 5.296 4.991 0.305 1
1 245 . 11 1 1 A 20 20 PHE C C 20 174.673 175.572 -0.899 1
1 246 . 11 1 1 A 20 20 PHE CA C 20 54.520 57.307 -2.787 1
1 247 . 11 1 1 A 20 20 PHE CB C 20 40.050 40.767 -0.717 1
1 251 . 11 1 1 A 20 20 PHE N N 20 120.369 122.513 -2.144 1
1 252 . 11 1 1 A 21 21 CYS H H 21 8.557 8.479 0.078 1
1 253 . 11 1 1 A 21 21 CYS HA H 21 4.062 4.360 -0.298 1
1 256 . 11 1 1 A 21 21 CYS CA C 21 56.880 57.717 -0.837 1
1 257 . 11 1 1 A 21 21 CYS CB C 21 30.710 28.215 2.495 1
1 258 . 11 1 1 A 21 21 CYS N N 21 123.994 123.302 0.692 1
1 259 . 11 1 1 A 22 22 PRO HA H 22 4.211 4.257 -0.046 1
1 266 . 11 1 1 A 22 22 PRO C C 22 177.475 178.334 -0.859 1
1 267 . 11 1 1 A 22 22 PRO CA C 22 64.260 65.618 -1.358 1
1 268 . 11 1 1 A 22 22 PRO CB C 22 31.730 31.445 0.285 1
1 271 . 11 1 1 A 23 23 ARG H H 23 8.569 8.342 0.227 1
1 272 . 11 1 1 A 23 23 ARG HA H 23 4.223 4.218 0.005 1
1 279 . 11 1 1 A 23 23 ARG C C 23 178.246 177.899 0.347 1
1 280 . 11 1 1 A 23 23 ARG CA C 23 58.030 58.145 -0.115 1
1 281 . 11 1 1 A 23 23 ARG CB C 23 31.240 31.013 0.227 1
1 284 . 11 1 1 A 23 23 ARG N N 23 121.075 117.432 3.643 1
1 285 . 11 1 1 A 24 24 CYS H H 24 9.550 8.255 1.295 1
1 286 . 11 1 1 A 24 24 CYS HA H 24 3.872 4.465 -0.593 1
1 289 . 11 1 1 A 24 24 CYS C C 24 177.302 176.204 1.098 1
1 290 . 11 1 1 A 24 24 CYS CA C 24 63.060 60.950 2.110 1
1 291 . 11 1 1 A 24 24 CYS CB C 24 30.120 27.318 2.802 1
1 292 . 11 1 1 A 24 24 CYS N N 24 123.692 117.898 5.794 1
1 293 . 11 1 1 A 25 25 GLY H H 25 8.166 8.261 -0.095 1
1 294 . 11 1 1 A 25 25 GLY HA2 H 25 4.142 3.860 0.282 1
1 295 . 11 1 1 A 25 25 GLY HA3 H 25 3.623 3.984 -0.361 1
1 296 . 11 1 1 A 25 25 GLY CA C 25 44.640 48.163 -3.523 1
1 297 . 11 1 1 A 25 25 GLY N N 25 107.593 109.536 -1.943 1
1 298 . 11 1 1 A 26 26 PRO HA H 26 2.807 4.253 -1.446 1
1 305 . 11 1 1 A 26 26 PRO C C 26 176.940 177.598 -0.658 1
1 306 . 11 1 1 A 26 26 PRO CA C 26 63.060 63.603 -0.543 1
1 307 . 11 1 1 A 26 26 PRO CB C 26 31.650 30.453 1.197 1
1 310 . 11 1 1 A 27 27 GLY H H 27 6.847 8.866 -2.019 1
1 311 . 11 1 1 A 27 27 GLY HA2 H 27 3.800 3.991 -0.191 1
1 312 . 11 1 1 A 27 27 GLY HA3 H 27 3.334 4.021 -0.687 1
1 313 . 11 1 1 A 27 27 GLY C C 27 172.705 173.595 -0.890 1
1 314 . 11 1 1 A 27 27 GLY CA C 27 44.400 45.281 -0.881 1
1 315 . 11 1 1 A 27 27 GLY N N 27 108.726 112.823 -4.097 1
1 316 . 11 1 1 A 28 28 VAL H H 28 7.416 8.000 -0.584 1
1 317 . 11 1 1 A 28 28 VAL HA H 28 3.964 4.541 -0.577 1
1 325 . 11 1 1 A 28 28 VAL C C 28 174.626 175.679 -1.053 1
1 326 . 11 1 1 A 28 28 VAL CA C 28 62.040 61.102 0.938 1
1 327 . 11 1 1 A 28 28 VAL CB C 28 32.080 34.762 -2.682 1
1 330 . 11 1 1 A 28 28 VAL N N 28 123.159 121.354 1.805 1
1 331 . 11 1 1 A 29 29 PHE H H 29 8.484 8.850 -0.366 1
1 332 . 11 1 1 A 29 29 PHE HA H 29 4.905 4.578 0.327 1
1 340 . 11 1 1 A 29 29 PHE C C 29 177.349 174.431 2.918 1
1 341 . 11 1 1 A 29 29 PHE CA C 29 57.800 56.297 1.503 1
1 342 . 11 1 1 A 29 29 PHE CB C 29 40.050 39.973 0.077 1
1 346 . 11 1 1 A 29 29 PHE N N 29 124.513 124.326 0.187 1
1 347 . 11 1 1 A 30 30 LEU H H 30 8.615 8.718 -0.103 1
1 348 . 11 1 1 A 30 30 LEU HA H 30 4.425 4.792 -0.367 1
1 358 . 11 1 1 A 30 30 LEU C C 30 176.877 174.995 1.882 1
1 359 . 11 1 1 A 30 30 LEU CA C 30 54.180 53.974 0.206 1
1 360 . 11 1 1 A 30 30 LEU CB C 30 42.470 45.003 -2.533 1
1 364 . 11 1 1 A 30 30 LEU N N 30 120.729 121.167 -0.438 1
1 365 . 11 1 1 A 31 31 ALA H H 31 9.109 8.449 0.660 1
1 366 . 11 1 1 A 31 31 ALA HA H 31 4.502 4.753 -0.251 1
1 370 . 11 1 1 A 31 31 ALA C C 31 176.231 176.598 -0.367 1
1 371 . 11 1 1 A 31 31 ALA CA C 31 51.170 52.185 -1.015 1
1 372 . 11 1 1 A 31 31 ALA CB C 31 20.140 18.934 1.206 1
1 373 . 11 1 1 A 31 31 ALA N N 31 126.827 130.541 -3.714 1
1 374 . 11 1 1 A 32 32 GLU H H 32 8.580 8.898 -0.318 1
1 375 . 11 1 1 A 32 32 GLU HA H 32 4.172 4.715 -0.543 1
1 380 . 11 1 1 A 32 32 GLU C C 32 174.736 175.380 -0.644 1
1 381 . 11 1 1 A 32 32 GLU CA C 32 56.140 56.398 -0.258 1
1 382 . 11 1 1 A 32 32 GLU CB C 32 30.540 30.698 -0.158 1
1 384 . 11 1 1 A 32 32 GLU N N 32 122.632 125.737 -3.105 1
1 385 . 11 1 1 A 33 33 HIS H H 33 8.596 8.932 -0.336 1
1 386 . 11 1 1 A 33 33 HIS HA H 33 4.816 4.859 -0.043 1
1 390 . 11 1 1 A 33 33 HIS CA C 33 53.900 55.005 -1.105 1
1 391 . 11 1 1 A 33 33 HIS CB C 33 33.160 33.560 -0.400 1
1 393 . 11 1 1 A 33 33 HIS N N 33 126.719 123.760 2.959 1
1 394 . 11 1 1 A 34 34 ALA HA H 34 4.011 3.893 0.118 1
1 398 . 11 1 1 A 34 34 ALA C C 34 178.514 178.660 -0.146 1
1 399 . 11 1 1 A 34 34 ALA CA C 34 55.850 55.190 0.660 1
1 400 . 11 1 1 A 34 34 ALA CB C 34 18.060 18.411 -0.351 1
1 401 . 11 1 1 A 35 35 ASP H H 35 8.241 8.059 0.182 1
1 402 . 11 1 1 A 35 35 ASP HA H 35 4.737 4.692 0.045 1
1 405 . 11 1 1 A 35 35 ASP C C 35 177.003 175.987 1.016 1
1 406 . 11 1 1 A 35 35 ASP CA C 35 53.040 55.795 -2.755 1
1 407 . 11 1 1 A 35 35 ASP CB C 35 41.840 42.688 -0.848 1
1 408 . 11 1 1 A 35 35 ASP N N 35 108.393 115.381 -6.988 1
1 409 . 11 1 1 A 36 36 ARG H H 36 7.175 7.334 -0.159 1
1 410 . 11 1 1 A 36 36 ARG HA H 36 4.940 4.446 0.494 1
1 417 . 11 1 1 A 36 36 ARG C C 36 171.430 173.441 -2.011 1
1 418 . 11 1 1 A 36 36 ARG CA C 36 54.670 54.899 -0.229 1
1 419 . 11 1 1 A 36 36 ARG CB C 36 31.550 32.291 -0.741 1
1 422 . 11 1 1 A 36 36 ARG N N 36 116.403 113.881 2.522 1
1 423 . 11 1 1 A 37 37 TYR H H 37 9.025 9.179 -0.154 1
1 424 . 11 1 1 A 37 37 TYR HA H 37 5.546 5.522 0.024 1
1 431 . 11 1 1 A 37 37 TYR C C 37 176.027 175.277 0.750 1
1 432 . 11 1 1 A 37 37 TYR CA C 37 56.400 57.158 -0.758 1
1 433 . 11 1 1 A 37 37 TYR CB C 37 41.830 41.103 0.727 1
1 436 . 11 1 1 A 37 37 TYR N N 37 118.099 118.953 -0.854 1
1 437 . 11 1 1 A 38 38 SER H H 38 9.208 9.084 0.124 1
1 438 . 11 1 1 A 38 38 SER HA H 38 5.675 5.310 0.365 1
1 441 . 11 1 1 A 38 38 SER C C 38 172.862 172.284 0.578 1
1 442 . 11 1 1 A 38 38 SER CA C 38 57.200 56.697 0.503 1
1 443 . 11 1 1 A 38 38 SER CB C 38 67.430 65.517 1.913 1
1 444 . 11 1 1 A 38 38 SER N N 38 114.608 116.172 -1.564 1
1 445 . 11 1 1 A 39 39 CYS H H 39 9.403 8.784 0.619 1
1 446 . 11 1 1 A 39 39 CYS HA H 39 4.781 4.865 -0.084 1
1 449 . 11 1 1 A 39 39 CYS C C 39 177.931 173.341 4.590 1
1 450 . 11 1 1 A 39 39 CYS CA C 39 58.680 57.545 1.135 1
1 451 . 11 1 1 A 39 39 CYS CB C 39 32.710 29.706 3.004 1
1 452 . 11 1 1 A 39 39 CYS N N 39 127.346 121.686 5.660 1
1 453 . 11 1 1 A 40 40 GLY H H 40 9.147 8.746 0.401 1
1 454 . 11 1 1 A 40 40 GLY HA2 H 40 4.053 3.867 0.186 1
1 455 . 11 1 1 A 40 40 GLY HA3 H 40 3.875 3.879 -0.004 1
1 456 . 11 1 1 A 40 40 GLY C C 40 173.602 174.010 -0.408 1
1 457 . 11 1 1 A 40 40 GLY CA C 40 46.270 47.114 -0.844 1
1 458 . 11 1 1 A 40 40 GLY N N 40 119.366 114.981 4.385 1
1 459 . 11 1 1 A 41 41 ARG H H 41 9.279 8.165 1.114 1
1 460 . 11 1 1 A 41 41 ARG HA H 41 4.362 4.538 -0.176 1
1 467 . 11 1 1 A 41 41 ARG C C 41 177.601 176.894 0.707 1
1 468 . 11 1 1 A 41 41 ARG CA C 41 58.200 56.869 1.331 1
1 469 . 11 1 1 A 41 41 ARG CB C 41 30.980 32.670 -1.690 1
1 472 . 11 1 1 A 41 41 ARG N N 41 123.467 118.824 4.643 1
1 473 . 11 1 1 A 42 42 CYS H H 42 8.759 7.541 1.218 1
1 474 . 11 1 1 A 42 42 CYS HA H 42 4.944 4.538 0.406 1
1 477 . 11 1 1 A 42 42 CYS C C 42 177.160 175.836 1.324 1
1 478 . 11 1 1 A 42 42 CYS CA C 42 58.390 58.587 -0.197 1
1 479 . 11 1 1 A 42 42 CYS CB C 42 33.600 27.860 5.740 1
1 480 . 11 1 1 A 42 42 CYS N N 42 118.328 113.573 4.755 1
1 481 . 11 1 1 A 43 43 GLY H H 43 7.686 7.620 0.066 1
1 482 . 11 1 1 A 43 43 GLY HA2 H 43 4.251 3.927 0.324 1
1 483 . 11 1 1 A 43 43 GLY HA3 H 43 3.782 3.929 -0.147 1
1 484 . 11 1 1 A 43 43 GLY C C 43 174.122 174.074 0.048 1
1 485 . 11 1 1 A 43 43 GLY CA C 43 46.100 46.321 -0.221 1
1 486 . 11 1 1 A 43 43 GLY N N 43 112.843 110.875 1.968 1
1 487 . 11 1 1 A 44 44 TYR H H 44 9.285 8.037 1.248 1
1 488 . 11 1 1 A 44 44 TYR HA H 44 4.109 4.571 -0.462 1
1 495 . 11 1 1 A 44 44 TYR C C 44 174.248 174.901 -0.653 1
1 496 . 11 1 1 A 44 44 TYR CA C 44 60.680 57.299 3.381 1
1 497 . 11 1 1 A 44 44 TYR CB C 44 39.840 38.628 1.212 1
1 500 . 11 1 1 A 44 44 TYR N N 44 127.411 121.577 5.834 1
1 501 . 11 1 1 A 45 45 THR H H 45 7.572 8.750 -1.178 1
1 502 . 11 1 1 A 45 45 THR HA H 45 4.763 5.252 -0.489 1
1 507 . 11 1 1 A 45 45 THR C C 45 171.635 172.775 -1.140 1
1 508 . 11 1 1 A 45 45 THR CA C 45 60.820 61.072 -0.252 1
1 509 . 11 1 1 A 45 45 THR CB C 45 72.660 71.183 1.477 1
1 511 . 11 1 1 A 45 45 THR N N 45 122.481 124.165 -1.684 1
1 512 . 11 1 1 A 46 46 GLU H H 46 8.456 9.035 -0.579 1
1 513 . 11 1 1 A 46 46 GLU HA H 46 4.430 4.800 -0.370 1
1 518 . 11 1 1 A 46 46 GLU C C 46 175.240 175.542 -0.302 1
1 519 . 11 1 1 A 46 46 GLU CA C 46 54.100 54.480 -0.380 1
1 520 . 11 1 1 A 46 46 GLU CB C 46 33.180 33.403 -0.223 1
1 522 . 11 1 1 A 46 46 GLU N N 46 124.924 127.341 -2.417 1
1 523 . 11 1 1 A 47 47 PHE H H 47 9.084 8.513 0.571 1
1 524 . 11 1 1 A 47 47 PHE HA H 47 4.417 4.509 -0.092 1
1 529 . 11 1 1 A 47 47 PHE C C 47 176.987 176.016 0.971 1
1 530 . 11 1 1 A 47 47 PHE CA C 47 59.920 59.143 0.777 1
1 531 . 11 1 1 A 47 47 PHE CB C 47 39.420 39.626 -0.206 1
1 533 . 11 1 1 A 47 47 PHE N N 47 125.357 125.527 -0.170 1
1 534 . 11 1 1 A 48 48 LYS H H 48 8.082 8.264 -0.182 1
1 535 . 11 1 1 A 48 48 LYS HA H 48 4.233 4.097 0.136 1
1 544 . 11 1 1 A 48 48 LYS C C 48 176.278 175.900 0.378 1
1 545 . 11 1 1 A 48 48 LYS CA C 48 57.670 56.941 0.729 1
1 546 . 11 1 1 A 48 48 LYS CB C 48 33.900 32.756 1.144 1
1 550 . 11 1 1 A 48 48 LYS N N 48 122.654 122.942 -0.288 1
1 551 . 11 1 1 A 49 49 LYS H H 49 8.475 8.897 -0.422 1
1 552 . 11 1 1 A 49 49 LYS HA H 49 4.299 4.512 -0.213 1
1 561 . 11 1 1 A 49 49 LYS C C 49 175.979 175.056 0.923 1
1 562 . 11 1 1 A 49 49 LYS CA C 49 56.100 56.145 -0.045 1
1 563 . 11 1 1 A 49 49 LYS CB C 49 33.090 31.739 1.351 1
1 567 . 11 1 1 A 49 49 LYS N N 49 121.521 128.017 -6.496 1
1 568 . 11 1 1 A 50 50 ALA H H 50 8.250 8.461 -0.211 1
1 569 . 11 1 1 A 50 50 ALA HA H 50 4.264 4.459 -0.195 1
1 573 . 11 1 1 A 50 50 ALA C C 50 177.617 176.274 1.343 1
1 574 . 11 1 1 A 50 50 ALA CA C 50 52.490 51.998 0.492 1
1 575 . 11 1 1 A 50 50 ALA CB C 50 19.420 18.680 0.740 1
1 576 . 11 1 1 A 50 50 ALA N N 50 125.681 129.793 -4.112 1
1 577 . 11 1 1 A 51 51 LYS H H 51 8.279 8.275 0.004 1
1 578 . 11 1 1 A 51 51 LYS HA H 51 4.296 4.550 -0.254 1
1 585 . 11 1 1 A 51 51 LYS C C 51 176.562 177.041 -0.479 1
1 586 . 11 1 1 A 51 51 LYS CA C 51 56.300 55.542 0.758 1
1 587 . 11 1 1 A 51 51 LYS CB C 51 33.090 32.307 0.783 1
1 591 . 11 1 1 A 51 51 LYS N N 51 121.304 124.173 -2.869 1
1 592 . 11 1 1 A 52 52 LYS H H 52 8.312 8.859 -0.547 1
1 593 . 11 1 1 A 52 52 LYS HA H 52 4.298 3.891 0.407 1
1 598 . 11 1 1 A 52 52 LYS C C 52 176.530 176.335 0.195 1
1 599 . 11 1 1 A 52 52 LYS CA C 52 56.140 59.799 -3.659 1
1 600 . 11 1 1 A 52 52 LYS CB C 52 33.180 32.233 0.947 1
1 603 . 11 1 1 A 52 52 LYS N N 52 123.129 128.308 -5.179 1
1 604 . 11 1 1 A 53 53 SER H H 53 8.309 8.088 0.221 1
1 605 . 11 1 1 A 53 53 SER HA H 53 4.399 4.122 0.277 1
1 608 . 11 1 1 A 53 53 SER C C 53 174.531 173.984 0.547 1
1 609 . 11 1 1 A 53 53 SER CA C 53 58.140 59.472 -1.332 1
1 610 . 11 1 1 A 53 53 SER CB C 53 63.780 61.339 2.441 1
1 611 . 11 1 1 A 53 53 SER N N 53 117.625 113.640 3.985 1
1 612 . 11 1 1 A 54 54 LYS H H 54 8.409 8.433 -0.024 1
1 613 . 11 1 1 A 54 54 LYS HA H 54 4.338 4.113 0.225 1
1 618 . 11 1 1 A 54 54 LYS CA C 54 56.650 58.413 -1.763 1
1 619 . 11 1 1 A 54 54 LYS CB C 54 32.920 31.117 1.803 1
1 621 . 11 1 1 A 54 54 LYS N N 54 123.196 113.119 10.077 1
1 16 . 12 1 1 A 2 2 GLN H H 2 8.326 8.520 -0.194 1
1 17 . 12 1 1 A 2 2 GLN HA H 2 4.252 4.310 -0.058 1
1 18 . 12 1 1 A 2 2 GLN CA C 2 55.970 57.037 -1.067 1
1 19 . 12 1 1 A 2 2 GLN CB C 2 29.990 29.388 0.602 1
1 20 . 12 1 1 A 2 2 GLN N N 2 123.332 120.122 3.210 1
1 21 . 12 1 1 A 3 3 LYS HA H 3 4.229 4.292 -0.063 1
1 22 . 12 1 1 A 3 3 LYS C C 3 176.404 175.356 1.048 1
1 23 . 12 1 1 A 3 3 LYS CA C 3 56.570 56.620 -0.050 1
1 24 . 12 1 1 A 3 3 LYS CB C 3 32.880 32.576 0.304 1
1 25 . 12 1 1 A 4 4 ARG H H 4 8.303 8.672 -0.369 1
1 26 . 12 1 1 A 4 4 ARG HA H 4 4.237 4.393 -0.156 1
1 33 . 12 1 1 A 4 4 ARG C C 4 176.656 175.557 1.099 1
1 34 . 12 1 1 A 4 4 ARG CA C 4 56.420 55.505 0.915 1
1 35 . 12 1 1 A 4 4 ARG CB C 4 30.910 28.463 2.447 1
1 38 . 12 1 1 A 4 4 ARG N N 4 122.770 126.994 -4.224 1
1 39 . 12 1 1 A 5 5 GLU H H 5 8.472 8.489 -0.017 1
1 40 . 12 1 1 A 5 5 GLU HA H 5 4.201 4.510 -0.309 1
1 45 . 12 1 1 A 5 5 GLU C C 5 176.137 176.164 -0.027 1
1 46 . 12 1 1 A 5 5 GLU CA C 5 56.650 55.476 1.174 1
1 47 . 12 1 1 A 5 5 GLU CB C 5 30.400 31.195 -0.795 1
1 49 . 12 1 1 A 5 5 GLU N N 5 121.724 123.694 -1.970 1
1 50 . 12 1 1 A 6 6 LEU H H 6 8.127 7.884 0.243 1
1 51 . 12 1 1 A 6 6 LEU HA H 6 4.200 4.372 -0.172 1
1 61 . 12 1 1 A 6 6 LEU C C 6 176.782 174.440 2.342 1
1 62 . 12 1 1 A 6 6 LEU CA C 6 55.200 56.940 -1.740 1
1 63 . 12 1 1 A 6 6 LEU CB C 6 42.520 40.921 1.599 1
1 67 . 12 1 1 A 6 6 LEU N N 6 122.169 118.114 4.055 1
1 68 . 12 1 1 A 7 7 TYR H H 7 7.943 8.866 -0.923 1
1 69 . 12 1 1 A 7 7 TYR HA H 7 4.636 5.147 -0.511 1
1 76 . 12 1 1 A 7 7 TYR C C 7 175.350 175.371 -0.021 1
1 77 . 12 1 1 A 7 7 TYR CA C 7 57.420 56.565 0.855 1
1 78 . 12 1 1 A 7 7 TYR CB C 7 39.370 41.176 -1.806 1
1 81 . 12 1 1 A 7 7 TYR N N 7 119.193 121.558 -2.365 1
1 82 . 12 1 1 A 8 8 GLU H H 8 8.314 9.047 -0.733 1
1 83 . 12 1 1 A 8 8 GLU HA H 8 4.314 4.639 -0.325 1
1 88 . 12 1 1 A 8 8 GLU C C 8 175.665 177.406 -1.741 1
1 89 . 12 1 1 A 8 8 GLU CA C 8 55.880 55.785 0.095 1
1 90 . 12 1 1 A 8 8 GLU CB C 8 31.100 29.886 1.214 1
1 92 . 12 1 1 A 8 8 GLU N N 8 121.754 123.110 -1.356 1
1 93 . 12 1 1 A 9 9 ILE H H 9 8.116 8.374 -0.258 1
1 94 . 12 1 1 A 9 9 ILE HA H 9 4.204 3.967 0.237 1
1 104 . 12 1 1 A 9 9 ILE C C 9 176.058 176.742 -0.684 1
1 105 . 12 1 1 A 9 9 ILE CA C 9 60.640 63.417 -2.777 1
1 106 . 12 1 1 A 9 9 ILE CB C 9 38.440 37.537 0.903 1
1 110 . 12 1 1 A 9 9 ILE N N 9 121.966 123.371 -1.405 1
1 111 . 12 1 1 A 10 10 ALA H H 10 8.472 7.615 0.857 1
1 112 . 12 1 1 A 10 10 ALA HA H 10 4.342 4.338 0.004 1
1 116 . 12 1 1 A 10 10 ALA C C 10 177.286 176.983 0.303 1
1 117 . 12 1 1 A 10 10 ALA CA C 10 52.450 51.663 0.787 1
1 118 . 12 1 1 A 10 10 ALA CB C 10 19.420 19.722 -0.302 1
1 119 . 12 1 1 A 10 10 ALA N N 10 128.558 126.161 2.397 1
1 120 . 12 1 1 A 11 11 ASP H H 11 8.423 8.624 -0.201 1
1 121 . 12 1 1 A 11 11 ASP HA H 11 4.423 4.512 -0.089 1
1 124 . 12 1 1 A 11 11 ASP C C 11 176.798 176.554 0.244 1
1 125 . 12 1 1 A 11 11 ASP CA C 11 54.780 54.832 -0.052 1
1 126 . 12 1 1 A 11 11 ASP CB C 11 40.900 40.639 0.261 1
1 127 . 12 1 1 A 11 11 ASP N N 11 120.945 123.101 -2.156 1
1 128 . 12 1 1 A 12 12 GLY H H 12 8.263 8.711 -0.448 1
1 129 . 12 1 1 A 12 12 GLY HA2 H 12 3.928 3.951 -0.023 1
1 130 . 12 1 1 A 12 12 GLY HA3 H 12 3.765 3.954 -0.189 1
1 131 . 12 1 1 A 12 12 GLY C C 12 174.326 174.245 0.081 1
1 132 . 12 1 1 A 12 12 GLY CA C 12 45.630 47.171 -1.541 1
1 133 . 12 1 1 A 12 12 GLY N N 12 107.572 112.124 -4.552 1
1 134 . 12 1 1 A 13 13 LYS H H 13 7.974 7.887 0.087 1
1 135 . 12 1 1 A 13 13 LYS HA H 13 4.286 4.159 0.127 1
1 144 . 12 1 1 A 13 13 LYS C C 13 176.105 174.601 1.504 1
1 145 . 12 1 1 A 13 13 LYS CA C 13 55.970 58.397 -2.427 1
1 146 . 12 1 1 A 13 13 LYS CB C 13 33.000 31.178 1.822 1
1 150 . 12 1 1 A 13 13 LYS N N 13 120.339 117.449 2.890 1
1 151 . 12 1 1 A 14 14 LEU H H 14 8.103 8.815 -0.712 1
1 152 . 12 1 1 A 14 14 LEU HA H 14 4.355 4.841 -0.486 1
1 162 . 12 1 1 A 14 14 LEU C C 14 177.050 175.511 1.539 1
1 163 . 12 1 1 A 14 14 LEU CA C 14 54.990 53.812 1.178 1
1 164 . 12 1 1 A 14 14 LEU CB C 14 42.180 42.892 -0.712 1
1 168 . 12 1 1 A 14 14 LEU N N 14 122.169 122.648 -0.479 1
1 169 . 12 1 1 A 15 15 VAL H H 15 8.236 9.088 -0.852 1
1 170 . 12 1 1 A 15 15 VAL HA H 15 4.090 4.049 0.041 1
1 178 . 12 1 1 A 15 15 VAL C C 15 175.680 175.714 -0.034 1
1 179 . 12 1 1 A 15 15 VAL CA C 15 62.000 62.997 -0.997 1
1 180 . 12 1 1 A 15 15 VAL CB C 15 33.050 31.318 1.732 1
1 182 . 12 1 1 A 15 15 VAL N N 15 122.264 125.138 -2.874 1
1 183 . 12 1 1 A 16 16 ARG H H 16 8.293 8.679 -0.386 1
1 184 . 12 1 1 A 16 16 ARG HA H 16 4.187 4.411 -0.224 1
1 191 . 12 1 1 A 16 16 ARG C C 16 175.822 176.137 -0.315 1
1 192 . 12 1 1 A 16 16 ARG CA C 16 55.820 56.650 -0.830 1
1 193 . 12 1 1 A 16 16 ARG CB C 16 30.820 31.247 -0.427 1
1 196 . 12 1 1 A 16 16 ARG N N 16 124.903 126.795 -1.892 1
1 197 . 12 1 1 A 17 17 LYS H H 17 8.239 7.614 0.625 1
1 198 . 12 1 1 A 17 17 LYS HA H 17 4.130 4.060 0.070 1
1 207 . 12 1 1 A 17 17 LYS C C 17 175.995 176.276 -0.281 1
1 208 . 12 1 1 A 17 17 LYS CA C 17 56.270 56.359 -0.089 1
1 209 . 12 1 1 A 17 17 LYS CB C 17 33.130 32.828 0.302 1
1 213 . 12 1 1 A 17 17 LYS N N 17 123.108 121.475 1.633 1
1 214 . 12 1 1 A 18 18 HIS H H 18 8.067 8.296 -0.229 1
1 215 . 12 1 1 A 18 18 HIS HA H 18 4.572 4.639 -0.067 1
1 218 . 12 1 1 A 18 18 HIS C C 18 174.736 174.853 -0.117 1
1 219 . 12 1 1 A 18 18 HIS CA C 18 55.460 56.345 -0.885 1
1 220 . 12 1 1 A 18 18 HIS CB C 18 31.390 29.040 2.350 1
1 221 . 12 1 1 A 18 18 HIS N N 18 120.275 125.893 -5.618 1
1 222 . 12 1 1 A 19 19 ARG H H 19 8.767 8.415 0.352 1
1 223 . 12 1 1 A 19 19 ARG HA H 19 4.254 4.115 0.139 1
1 230 . 12 1 1 A 19 19 ARG C C 19 175.790 175.933 -0.143 1
1 231 . 12 1 1 A 19 19 ARG CA C 19 55.480 56.688 -1.208 1
1 232 . 12 1 1 A 19 19 ARG CB C 19 32.050 30.693 1.357 1
1 235 . 12 1 1 A 19 19 ARG N N 19 122.186 124.692 -2.506 1
1 236 . 12 1 1 A 20 20 PHE H H 20 7.866 8.888 -1.022 1
1 237 . 12 1 1 A 20 20 PHE HA H 20 5.296 5.040 0.256 1
1 245 . 12 1 1 A 20 20 PHE C C 20 174.673 174.859 -0.186 1
1 246 . 12 1 1 A 20 20 PHE CA C 20 54.520 57.241 -2.721 1
1 247 . 12 1 1 A 20 20 PHE CB C 20 40.050 42.521 -2.471 1
1 251 . 12 1 1 A 20 20 PHE N N 20 120.369 120.522 -0.153 1
1 252 . 12 1 1 A 21 21 CYS H H 21 8.557 8.674 -0.117 1
1 253 . 12 1 1 A 21 21 CYS HA H 21 4.062 4.735 -0.673 1
1 256 . 12 1 1 A 21 21 CYS CA C 21 56.880 55.645 1.235 1
1 257 . 12 1 1 A 21 21 CYS CB C 21 30.710 29.311 1.399 1
1 258 . 12 1 1 A 21 21 CYS N N 21 123.994 120.444 3.550 1
1 259 . 12 1 1 A 22 22 PRO HA H 22 4.211 4.287 -0.076 1
1 266 . 12 1 1 A 22 22 PRO C C 22 177.475 178.734 -1.259 1
1 267 . 12 1 1 A 22 22 PRO CA C 22 64.260 65.551 -1.291 1
1 268 . 12 1 1 A 22 22 PRO CB C 22 31.730 31.622 0.108 1
1 271 . 12 1 1 A 23 23 ARG H H 23 8.569 8.180 0.389 1
1 272 . 12 1 1 A 23 23 ARG HA H 23 4.223 4.072 0.151 1
1 279 . 12 1 1 A 23 23 ARG C C 23 178.246 178.497 -0.251 1
1 280 . 12 1 1 A 23 23 ARG CA C 23 58.030 59.263 -1.233 1
1 281 . 12 1 1 A 23 23 ARG CB C 23 31.240 30.622 0.618 1
1 284 . 12 1 1 A 23 23 ARG N N 23 121.075 118.098 2.977 1
1 285 . 12 1 1 A 24 24 CYS H H 24 9.550 8.356 1.194 1
1 286 . 12 1 1 A 24 24 CYS HA H 24 3.872 4.333 -0.461 1
1 289 . 12 1 1 A 24 24 CYS C C 24 177.302 176.555 0.747 1
1 290 . 12 1 1 A 24 24 CYS CA C 24 63.060 61.126 1.934 1
1 291 . 12 1 1 A 24 24 CYS CB C 24 30.120 27.393 2.727 1
1 292 . 12 1 1 A 24 24 CYS N N 24 123.692 118.732 4.960 1
1 293 . 12 1 1 A 25 25 GLY H H 25 8.166 8.191 -0.025 1
1 294 . 12 1 1 A 25 25 GLY HA2 H 25 4.142 3.758 0.384 1
1 295 . 12 1 1 A 25 25 GLY HA3 H 25 3.623 3.824 -0.201 1
1 296 . 12 1 1 A 25 25 GLY CA C 25 44.640 48.038 -3.398 1
1 297 . 12 1 1 A 25 25 GLY N N 25 107.593 109.308 -1.715 1
1 298 . 12 1 1 A 26 26 PRO HA H 26 2.807 4.187 -1.380 1
1 305 . 12 1 1 A 26 26 PRO C C 26 176.940 177.542 -0.602 1
1 306 . 12 1 1 A 26 26 PRO CA C 26 63.060 63.456 -0.396 1
1 307 . 12 1 1 A 26 26 PRO CB C 26 31.650 29.971 1.679 1
1 310 . 12 1 1 A 27 27 GLY H H 27 6.847 8.799 -1.952 1
1 311 . 12 1 1 A 27 27 GLY HA2 H 27 3.800 3.985 -0.185 1
1 312 . 12 1 1 A 27 27 GLY HA3 H 27 3.334 4.001 -0.667 1
1 313 . 12 1 1 A 27 27 GLY C C 27 172.705 173.554 -0.849 1
1 314 . 12 1 1 A 27 27 GLY CA C 27 44.400 45.240 -0.840 1
1 315 . 12 1 1 A 27 27 GLY N N 27 108.726 113.026 -4.300 1
1 316 . 12 1 1 A 28 28 VAL H H 28 7.416 7.812 -0.396 1
1 317 . 12 1 1 A 28 28 VAL HA H 28 3.964 4.369 -0.405 1
1 325 . 12 1 1 A 28 28 VAL C C 28 174.626 175.339 -0.713 1
1 326 . 12 1 1 A 28 28 VAL CA C 28 62.040 61.484 0.556 1
1 327 . 12 1 1 A 28 28 VAL CB C 28 32.080 33.614 -1.534 1
1 330 . 12 1 1 A 28 28 VAL N N 28 123.159 121.765 1.394 1
1 331 . 12 1 1 A 29 29 PHE H H 29 8.484 9.187 -0.703 1
1 332 . 12 1 1 A 29 29 PHE HA H 29 4.905 4.889 0.016 1
1 340 . 12 1 1 A 29 29 PHE C C 29 177.349 174.767 2.582 1
1 341 . 12 1 1 A 29 29 PHE CA C 29 57.800 57.084 0.716 1
1 342 . 12 1 1 A 29 29 PHE CB C 29 40.050 40.394 -0.344 1
1 346 . 12 1 1 A 29 29 PHE N N 29 124.513 126.759 -2.246 1
1 347 . 12 1 1 A 30 30 LEU H H 30 8.615 8.647 -0.032 1
1 348 . 12 1 1 A 30 30 LEU HA H 30 4.425 4.992 -0.567 1
1 358 . 12 1 1 A 30 30 LEU C C 30 176.877 175.796 1.081 1
1 359 . 12 1 1 A 30 30 LEU CA C 30 54.180 54.022 0.158 1
1 360 . 12 1 1 A 30 30 LEU CB C 30 42.470 44.094 -1.624 1
1 364 . 12 1 1 A 30 30 LEU N N 30 120.729 122.753 -2.024 1
1 365 . 12 1 1 A 31 31 ALA H H 31 9.109 8.670 0.439 1
1 366 . 12 1 1 A 31 31 ALA HA H 31 4.502 4.552 -0.050 1
1 370 . 12 1 1 A 31 31 ALA C C 31 176.231 176.826 -0.595 1
1 371 . 12 1 1 A 31 31 ALA CA C 31 51.170 52.000 -0.830 1
1 372 . 12 1 1 A 31 31 ALA CB C 31 20.140 18.520 1.620 1
1 373 . 12 1 1 A 31 31 ALA N N 31 126.827 130.334 -3.507 1
1 374 . 12 1 1 A 32 32 GLU H H 32 8.580 8.684 -0.104 1
1 375 . 12 1 1 A 32 32 GLU HA H 32 4.172 4.560 -0.388 1
1 380 . 12 1 1 A 32 32 GLU C C 32 174.736 175.087 -0.351 1
1 381 . 12 1 1 A 32 32 GLU CA C 32 56.140 56.293 -0.153 1
1 382 . 12 1 1 A 32 32 GLU CB C 32 30.540 30.445 0.095 1
1 384 . 12 1 1 A 32 32 GLU N N 32 122.632 125.756 -3.124 1
1 385 . 12 1 1 A 33 33 HIS H H 33 8.596 8.659 -0.063 1
1 386 . 12 1 1 A 33 33 HIS HA H 33 4.816 4.799 0.017 1
1 390 . 12 1 1 A 33 33 HIS CA C 33 53.900 54.693 -0.793 1
1 391 . 12 1 1 A 33 33 HIS CB C 33 33.160 33.259 -0.099 1
1 393 . 12 1 1 A 33 33 HIS N N 33 126.719 123.754 2.965 1
1 394 . 12 1 1 A 34 34 ALA HA H 34 4.011 3.906 0.105 1
1 398 . 12 1 1 A 34 34 ALA C C 34 178.514 178.513 0.001 1
1 399 . 12 1 1 A 34 34 ALA CA C 34 55.850 54.864 0.986 1
1 400 . 12 1 1 A 34 34 ALA CB C 34 18.060 18.509 -0.449 1
1 401 . 12 1 1 A 35 35 ASP H H 35 8.241 7.842 0.399 1
1 402 . 12 1 1 A 35 35 ASP HA H 35 4.737 4.549 0.188 1
1 405 . 12 1 1 A 35 35 ASP C C 35 177.003 175.831 1.172 1
1 406 . 12 1 1 A 35 35 ASP CA C 35 53.040 55.664 -2.624 1
1 407 . 12 1 1 A 35 35 ASP CB C 35 41.840 42.488 -0.648 1
1 408 . 12 1 1 A 35 35 ASP N N 35 108.393 117.028 -8.635 1
1 409 . 12 1 1 A 36 36 ARG H H 36 7.175 7.612 -0.437 1
1 410 . 12 1 1 A 36 36 ARG HA H 36 4.940 4.536 0.404 1
1 417 . 12 1 1 A 36 36 ARG C C 36 171.430 173.399 -1.969 1
1 418 . 12 1 1 A 36 36 ARG CA C 36 54.670 54.913 -0.243 1
1 419 . 12 1 1 A 36 36 ARG CB C 36 31.550 32.199 -0.649 1
1 422 . 12 1 1 A 36 36 ARG N N 36 116.403 115.424 0.979 1
1 423 . 12 1 1 A 37 37 TYR H H 37 9.025 9.350 -0.325 1
1 424 . 12 1 1 A 37 37 TYR HA H 37 5.546 5.353 0.193 1
1 431 . 12 1 1 A 37 37 TYR C C 37 176.027 175.030 0.997 1
1 432 . 12 1 1 A 37 37 TYR CA C 37 56.400 57.221 -0.821 1
1 433 . 12 1 1 A 37 37 TYR CB C 37 41.830 41.174 0.656 1
1 436 . 12 1 1 A 37 37 TYR N N 37 118.099 118.803 -0.704 1
1 437 . 12 1 1 A 38 38 SER H H 38 9.208 9.152 0.056 1
1 438 . 12 1 1 A 38 38 SER HA H 38 5.675 5.353 0.322 1
1 441 . 12 1 1 A 38 38 SER C C 38 172.862 172.351 0.511 1
1 442 . 12 1 1 A 38 38 SER CA C 38 57.200 56.591 0.609 1
1 443 . 12 1 1 A 38 38 SER CB C 38 67.430 66.162 1.268 1
1 444 . 12 1 1 A 38 38 SER N N 38 114.608 115.845 -1.237 1
1 445 . 12 1 1 A 39 39 CYS H H 39 9.403 8.369 1.034 1
1 446 . 12 1 1 A 39 39 CYS HA H 39 4.781 5.018 -0.237 1
1 449 . 12 1 1 A 39 39 CYS C C 39 177.931 174.407 3.524 1
1 450 . 12 1 1 A 39 39 CYS CA C 39 58.680 57.757 0.923 1
1 451 . 12 1 1 A 39 39 CYS CB C 39 32.710 31.228 1.482 1
1 452 . 12 1 1 A 39 39 CYS N N 39 127.346 121.903 5.443 1
1 453 . 12 1 1 A 40 40 GLY H H 40 9.147 8.564 0.583 1
1 454 . 12 1 1 A 40 40 GLY HA2 H 40 4.053 3.998 0.055 1
1 455 . 12 1 1 A 40 40 GLY HA3 H 40 3.875 4.024 -0.149 1
1 456 . 12 1 1 A 40 40 GLY C C 40 173.602 175.009 -1.407 1
1 457 . 12 1 1 A 40 40 GLY CA C 40 46.270 44.570 1.700 1
1 458 . 12 1 1 A 40 40 GLY N N 40 119.366 114.248 5.118 1
1 459 . 12 1 1 A 41 41 ARG H H 41 9.279 8.767 0.512 1
1 460 . 12 1 1 A 41 41 ARG HA H 41 4.362 3.914 0.448 1
1 467 . 12 1 1 A 41 41 ARG C C 41 177.601 175.989 1.612 1
1 468 . 12 1 1 A 41 41 ARG CA C 41 58.200 58.509 -0.309 1
1 469 . 12 1 1 A 41 41 ARG CB C 41 30.980 28.055 2.925 1
1 472 . 12 1 1 A 41 41 ARG N N 41 123.467 116.644 6.823 1
1 473 . 12 1 1 A 42 42 CYS H H 42 8.759 8.176 0.583 1
1 474 . 12 1 1 A 42 42 CYS HA H 42 4.944 4.625 0.319 1
1 477 . 12 1 1 A 42 42 CYS C C 42 177.160 176.050 1.110 1
1 478 . 12 1 1 A 42 42 CYS CA C 42 58.390 58.464 -0.074 1
1 479 . 12 1 1 A 42 42 CYS CB C 42 33.600 29.462 4.138 1
1 480 . 12 1 1 A 42 42 CYS N N 42 118.328 114.253 4.075 1
1 481 . 12 1 1 A 43 43 GLY H H 43 7.686 7.840 -0.154 1
1 482 . 12 1 1 A 43 43 GLY HA2 H 43 4.251 3.936 0.315 1
1 483 . 12 1 1 A 43 43 GLY HA3 H 43 3.782 3.936 -0.154 1
1 484 . 12 1 1 A 43 43 GLY C C 43 174.122 174.192 -0.070 1
1 485 . 12 1 1 A 43 43 GLY CA C 43 46.100 46.264 -0.164 1
1 486 . 12 1 1 A 43 43 GLY N N 43 112.843 110.943 1.900 1
1 487 . 12 1 1 A 44 44 TYR H H 44 9.285 7.688 1.597 1
1 488 . 12 1 1 A 44 44 TYR HA H 44 4.109 4.377 -0.268 1
1 495 . 12 1 1 A 44 44 TYR C C 44 174.248 174.859 -0.611 1
1 496 . 12 1 1 A 44 44 TYR CA C 44 60.680 58.569 2.111 1
1 497 . 12 1 1 A 44 44 TYR CB C 44 39.840 38.941 0.899 1
1 500 . 12 1 1 A 44 44 TYR N N 44 127.411 121.613 5.798 1
1 501 . 12 1 1 A 45 45 THR H H 45 7.572 8.538 -0.966 1
1 502 . 12 1 1 A 45 45 THR HA H 45 4.763 5.015 -0.252 1
1 507 . 12 1 1 A 45 45 THR C C 45 171.635 172.866 -1.231 1
1 508 . 12 1 1 A 45 45 THR CA C 45 60.820 60.377 0.443 1
1 509 . 12 1 1 A 45 45 THR CB C 45 72.660 71.411 1.249 1
1 511 . 12 1 1 A 45 45 THR N N 45 122.481 123.850 -1.369 1
1 512 . 12 1 1 A 46 46 GLU H H 46 8.456 8.702 -0.246 1
1 513 . 12 1 1 A 46 46 GLU HA H 46 4.430 4.628 -0.198 1
1 518 . 12 1 1 A 46 46 GLU C C 46 175.240 175.567 -0.327 1
1 519 . 12 1 1 A 46 46 GLU CA C 46 54.100 55.039 -0.939 1
1 520 . 12 1 1 A 46 46 GLU CB C 46 33.180 33.279 -0.099 1
1 522 . 12 1 1 A 46 46 GLU N N 46 124.924 126.756 -1.832 1
1 523 . 12 1 1 A 47 47 PHE H H 47 9.084 8.629 0.455 1
1 524 . 12 1 1 A 47 47 PHE HA H 47 4.417 4.542 -0.125 1
1 529 . 12 1 1 A 47 47 PHE C C 47 176.987 175.820 1.167 1
1 530 . 12 1 1 A 47 47 PHE CA C 47 59.920 59.219 0.701 1
1 531 . 12 1 1 A 47 47 PHE CB C 47 39.420 39.568 -0.148 1
1 533 . 12 1 1 A 47 47 PHE N N 47 125.357 125.883 -0.526 1
1 534 . 12 1 1 A 48 48 LYS H H 48 8.082 8.270 -0.188 1
1 535 . 12 1 1 A 48 48 LYS HA H 48 4.233 4.535 -0.302 1
1 544 . 12 1 1 A 48 48 LYS C C 48 176.278 176.110 0.168 1
1 545 . 12 1 1 A 48 48 LYS CA C 48 57.670 56.124 1.546 1
1 546 . 12 1 1 A 48 48 LYS CB C 48 33.900 31.522 2.378 1
1 550 . 12 1 1 A 48 48 LYS N N 48 122.654 122.413 0.241 1
1 551 . 12 1 1 A 49 49 LYS H H 49 8.475 8.676 -0.201 1
1 552 . 12 1 1 A 49 49 LYS HA H 49 4.299 4.591 -0.292 1
1 561 . 12 1 1 A 49 49 LYS C C 49 175.979 175.426 0.553 1
1 562 . 12 1 1 A 49 49 LYS CA C 49 56.100 56.694 -0.594 1
1 563 . 12 1 1 A 49 49 LYS CB C 49 33.090 32.508 0.582 1
1 567 . 12 1 1 A 49 49 LYS N N 49 121.521 126.650 -5.129 1
1 568 . 12 1 1 A 50 50 ALA H H 50 8.250 8.445 -0.195 1
1 569 . 12 1 1 A 50 50 ALA HA H 50 4.264 4.670 -0.406 1
1 573 . 12 1 1 A 50 50 ALA C C 50 177.617 177.343 0.274 1
1 574 . 12 1 1 A 50 50 ALA CA C 50 52.490 51.599 0.891 1
1 575 . 12 1 1 A 50 50 ALA CB C 50 19.420 19.587 -0.167 1
1 576 . 12 1 1 A 50 50 ALA N N 50 125.681 128.702 -3.021 1
1 577 . 12 1 1 A 51 51 LYS H H 51 8.279 8.603 -0.324 1
1 578 . 12 1 1 A 51 51 LYS HA H 51 4.296 4.047 0.249 1
1 585 . 12 1 1 A 51 51 LYS C C 51 176.562 175.955 0.607 1
1 586 . 12 1 1 A 51 51 LYS CA C 51 56.300 58.645 -2.345 1
1 587 . 12 1 1 A 51 51 LYS CB C 51 33.090 32.722 0.368 1
1 591 . 12 1 1 A 51 51 LYS N N 51 121.304 124.805 -3.501 1
1 592 . 12 1 1 A 52 52 LYS H H 52 8.312 7.842 0.470 1
1 593 . 12 1 1 A 52 52 LYS HA H 52 4.298 4.907 -0.609 1
1 598 . 12 1 1 A 52 52 LYS C C 52 176.530 175.692 0.838 1
1 599 . 12 1 1 A 52 52 LYS CA C 52 56.140 55.044 1.096 1
1 600 . 12 1 1 A 52 52 LYS CB C 52 33.180 34.994 -1.814 1
1 603 . 12 1 1 A 52 52 LYS N N 52 123.129 118.655 4.474 1
1 604 . 12 1 1 A 53 53 SER H H 53 8.309 8.777 -0.468 1
1 605 . 12 1 1 A 53 53 SER HA H 53 4.399 5.084 -0.685 1
1 608 . 12 1 1 A 53 53 SER C C 53 174.531 173.135 1.396 1
1 609 . 12 1 1 A 53 53 SER CA C 53 58.140 57.721 0.419 1
1 610 . 12 1 1 A 53 53 SER CB C 53 63.780 65.737 -1.957 1
1 611 . 12 1 1 A 53 53 SER N N 53 117.625 119.035 -1.410 1
1 612 . 12 1 1 A 54 54 LYS H H 54 8.409 8.423 -0.014 1
1 613 . 12 1 1 A 54 54 LYS HA H 54 4.338 4.355 -0.017 1
1 618 . 12 1 1 A 54 54 LYS CA C 54 56.650 56.079 0.571 1
1 619 . 12 1 1 A 54 54 LYS CB C 54 32.920 31.417 1.503 1
1 621 . 12 1 1 A 54 54 LYS N N 54 123.196 126.271 -3.075 1
1 16 . 13 1 1 A 2 2 GLN H H 2 8.326 8.416 -0.090 1
1 17 . 13 1 1 A 2 2 GLN HA H 2 4.252 4.622 -0.370 1
1 18 . 13 1 1 A 2 2 GLN CA C 2 55.970 54.943 1.027 1
1 19 . 13 1 1 A 2 2 GLN CB C 2 29.990 29.618 0.372 1
1 20 . 13 1 1 A 2 2 GLN N N 2 123.332 121.239 2.093 1
1 21 . 13 1 1 A 3 3 LYS HA H 3 4.229 4.187 0.042 1
1 22 . 13 1 1 A 3 3 LYS C C 3 176.404 176.091 0.313 1
1 23 . 13 1 1 A 3 3 LYS CA C 3 56.570 56.485 0.085 1
1 24 . 13 1 1 A 3 3 LYS CB C 3 32.880 32.690 0.190 1
1 25 . 13 1 1 A 4 4 ARG H H 4 8.303 8.844 -0.541 1
1 26 . 13 1 1 A 4 4 ARG HA H 4 4.237 4.417 -0.180 1
1 33 . 13 1 1 A 4 4 ARG C C 4 176.656 175.455 1.201 1
1 34 . 13 1 1 A 4 4 ARG CA C 4 56.420 56.094 0.326 1
1 35 . 13 1 1 A 4 4 ARG CB C 4 30.910 30.771 0.139 1
1 38 . 13 1 1 A 4 4 ARG N N 4 122.770 123.101 -0.331 1
1 39 . 13 1 1 A 5 5 GLU H H 5 8.472 8.775 -0.303 1
1 40 . 13 1 1 A 5 5 GLU HA H 5 4.201 4.262 -0.061 1
1 45 . 13 1 1 A 5 5 GLU C C 5 176.137 176.833 -0.696 1
1 46 . 13 1 1 A 5 5 GLU CA C 5 56.650 58.498 -1.848 1
1 47 . 13 1 1 A 5 5 GLU CB C 5 30.400 30.300 0.100 1
1 49 . 13 1 1 A 5 5 GLU N N 5 121.724 124.987 -3.263 1
1 50 . 13 1 1 A 6 6 LEU H H 6 8.127 7.756 0.371 1
1 51 . 13 1 1 A 6 6 LEU HA H 6 4.200 4.316 -0.116 1
1 61 . 13 1 1 A 6 6 LEU C C 6 176.782 175.098 1.684 1
1 62 . 13 1 1 A 6 6 LEU CA C 6 55.200 54.985 0.215 1
1 63 . 13 1 1 A 6 6 LEU CB C 6 42.520 41.205 1.315 1
1 67 . 13 1 1 A 6 6 LEU N N 6 122.169 119.716 2.453 1
1 68 . 13 1 1 A 7 7 TYR H H 7 7.943 8.822 -0.879 1
1 69 . 13 1 1 A 7 7 TYR HA H 7 4.636 4.650 -0.014 1
1 76 . 13 1 1 A 7 7 TYR C C 7 175.350 175.158 0.192 1
1 77 . 13 1 1 A 7 7 TYR CA C 7 57.420 57.540 -0.120 1
1 78 . 13 1 1 A 7 7 TYR CB C 7 39.370 37.510 1.860 1
1 81 . 13 1 1 A 7 7 TYR N N 7 119.193 122.700 -3.507 1
1 82 . 13 1 1 A 8 8 GLU H H 8 8.314 8.482 -0.168 1
1 83 . 13 1 1 A 8 8 GLU HA H 8 4.314 4.348 -0.034 1
1 88 . 13 1 1 A 8 8 GLU C C 8 175.665 176.799 -1.134 1
1 89 . 13 1 1 A 8 8 GLU CA C 8 55.880 56.769 -0.889 1
1 90 . 13 1 1 A 8 8 GLU CB C 8 31.100 29.964 1.136 1
1 92 . 13 1 1 A 8 8 GLU N N 8 121.754 123.745 -1.991 1
1 93 . 13 1 1 A 9 9 ILE H H 9 8.116 8.707 -0.591 1
1 94 . 13 1 1 A 9 9 ILE HA H 9 4.204 3.977 0.227 1
1 104 . 13 1 1 A 9 9 ILE C C 9 176.058 175.500 0.558 1
1 105 . 13 1 1 A 9 9 ILE CA C 9 60.640 61.889 -1.249 1
1 106 . 13 1 1 A 9 9 ILE CB C 9 38.440 37.185 1.255 1
1 110 . 13 1 1 A 9 9 ILE N N 9 121.966 119.629 2.337 1
1 111 . 13 1 1 A 10 10 ALA H H 10 8.472 8.201 0.271 1
1 112 . 13 1 1 A 10 10 ALA HA H 10 4.342 4.226 0.116 1
1 116 . 13 1 1 A 10 10 ALA C C 10 177.286 176.987 0.299 1
1 117 . 13 1 1 A 10 10 ALA CA C 10 52.450 52.540 -0.090 1
1 118 . 13 1 1 A 10 10 ALA CB C 10 19.420 19.748 -0.328 1
1 119 . 13 1 1 A 10 10 ALA N N 10 128.558 128.574 -0.016 1
1 120 . 13 1 1 A 11 11 ASP H H 11 8.423 8.591 -0.168 1
1 121 . 13 1 1 A 11 11 ASP HA H 11 4.423 4.542 -0.119 1
1 124 . 13 1 1 A 11 11 ASP C C 11 176.798 176.454 0.344 1
1 125 . 13 1 1 A 11 11 ASP CA C 11 54.780 54.286 0.494 1
1 126 . 13 1 1 A 11 11 ASP CB C 11 40.900 41.101 -0.201 1
1 127 . 13 1 1 A 11 11 ASP N N 11 120.945 119.326 1.619 1
1 128 . 13 1 1 A 12 12 GLY H H 12 8.263 8.784 -0.521 1
1 129 . 13 1 1 A 12 12 GLY HA2 H 12 3.928 3.880 0.048 1
1 130 . 13 1 1 A 12 12 GLY HA3 H 12 3.765 3.906 -0.141 1
1 131 . 13 1 1 A 12 12 GLY C C 12 174.326 173.393 0.933 1
1 132 . 13 1 1 A 12 12 GLY CA C 12 45.630 47.083 -1.453 1
1 133 . 13 1 1 A 12 12 GLY N N 12 107.572 108.452 -0.880 1
1 134 . 13 1 1 A 13 13 LYS H H 13 7.974 7.585 0.389 1
1 135 . 13 1 1 A 13 13 LYS HA H 13 4.286 4.239 0.047 1
1 144 . 13 1 1 A 13 13 LYS C C 13 176.105 176.801 -0.696 1
1 145 . 13 1 1 A 13 13 LYS CA C 13 55.970 56.061 -0.091 1
1 146 . 13 1 1 A 13 13 LYS CB C 13 33.000 31.736 1.264 1
1 150 . 13 1 1 A 13 13 LYS N N 13 120.339 122.814 -2.475 1
1 151 . 13 1 1 A 14 14 LEU H H 14 8.103 8.556 -0.453 1
1 152 . 13 1 1 A 14 14 LEU HA H 14 4.355 3.957 0.398 1
1 162 . 13 1 1 A 14 14 LEU C C 14 177.050 176.851 0.199 1
1 163 . 13 1 1 A 14 14 LEU CA C 14 54.990 56.508 -1.518 1
1 164 . 13 1 1 A 14 14 LEU CB C 14 42.180 40.032 2.148 1
1 168 . 13 1 1 A 14 14 LEU N N 14 122.169 122.387 -0.218 1
1 169 . 13 1 1 A 15 15 VAL H H 15 8.236 7.907 0.329 1
1 170 . 13 1 1 A 15 15 VAL HA H 15 4.090 4.131 -0.041 1
1 178 . 13 1 1 A 15 15 VAL C C 15 175.680 176.479 -0.799 1
1 179 . 13 1 1 A 15 15 VAL CA C 15 62.000 61.097 0.903 1
1 180 . 13 1 1 A 15 15 VAL CB C 15 33.050 31.686 1.364 1
1 182 . 13 1 1 A 15 15 VAL N N 15 122.264 115.750 6.514 1
1 183 . 13 1 1 A 16 16 ARG H H 16 8.293 7.868 0.425 1
1 184 . 13 1 1 A 16 16 ARG HA H 16 4.187 4.005 0.182 1
1 191 . 13 1 1 A 16 16 ARG C C 16 175.822 176.597 -0.775 1
1 192 . 13 1 1 A 16 16 ARG CA C 16 55.820 59.000 -3.180 1
1 193 . 13 1 1 A 16 16 ARG CB C 16 30.820 30.180 0.640 1
1 196 . 13 1 1 A 16 16 ARG N N 16 124.903 122.609 2.294 1
1 197 . 13 1 1 A 17 17 LYS H H 17 8.239 7.755 0.484 1
1 198 . 13 1 1 A 17 17 LYS HA H 17 4.130 4.596 -0.466 1
1 207 . 13 1 1 A 17 17 LYS C C 17 175.995 176.457 -0.462 1
1 208 . 13 1 1 A 17 17 LYS CA C 17 56.270 55.270 1.000 1
1 209 . 13 1 1 A 17 17 LYS CB C 17 33.130 33.212 -0.082 1
1 213 . 13 1 1 A 17 17 LYS N N 17 123.108 118.693 4.415 1
1 214 . 13 1 1 A 18 18 HIS H H 18 8.067 8.118 -0.051 1
1 215 . 13 1 1 A 18 18 HIS HA H 18 4.572 4.649 -0.077 1
1 218 . 13 1 1 A 18 18 HIS C C 18 174.736 174.828 -0.092 1
1 219 . 13 1 1 A 18 18 HIS CA C 18 55.460 55.014 0.446 1
1 220 . 13 1 1 A 18 18 HIS CB C 18 31.390 29.916 1.474 1
1 221 . 13 1 1 A 18 18 HIS N N 18 120.275 121.663 -1.388 1
1 222 . 13 1 1 A 19 19 ARG H H 19 8.767 7.300 1.467 1
1 223 . 13 1 1 A 19 19 ARG HA H 19 4.254 4.093 0.161 1
1 230 . 13 1 1 A 19 19 ARG C C 19 175.790 175.074 0.716 1
1 231 . 13 1 1 A 19 19 ARG CA C 19 55.480 55.530 -0.050 1
1 232 . 13 1 1 A 19 19 ARG CB C 19 32.050 30.920 1.130 1
1 235 . 13 1 1 A 19 19 ARG N N 19 122.186 121.824 0.362 1
1 236 . 13 1 1 A 20 20 PHE H H 20 7.866 8.697 -0.831 1
1 237 . 13 1 1 A 20 20 PHE HA H 20 5.296 4.770 0.526 1
1 245 . 13 1 1 A 20 20 PHE C C 20 174.673 175.932 -1.259 1
1 246 . 13 1 1 A 20 20 PHE CA C 20 54.520 58.362 -3.842 1
1 247 . 13 1 1 A 20 20 PHE CB C 20 40.050 40.103 -0.053 1
1 251 . 13 1 1 A 20 20 PHE N N 20 120.369 125.231 -4.862 1
1 252 . 13 1 1 A 21 21 CYS H H 21 8.557 8.039 0.518 1
1 253 . 13 1 1 A 21 21 CYS HA H 21 4.062 4.395 -0.333 1
1 256 . 13 1 1 A 21 21 CYS CA C 21 56.880 57.517 -0.637 1
1 257 . 13 1 1 A 21 21 CYS CB C 21 30.710 28.151 2.559 1
1 258 . 13 1 1 A 21 21 CYS N N 21 123.994 120.784 3.210 1
1 259 . 13 1 1 A 22 22 PRO HA H 22 4.211 4.287 -0.076 1
1 266 . 13 1 1 A 22 22 PRO C C 22 177.475 178.519 -1.044 1
1 267 . 13 1 1 A 22 22 PRO CA C 22 64.260 65.616 -1.356 1
1 268 . 13 1 1 A 22 22 PRO CB C 22 31.730 31.595 0.135 1
1 271 . 13 1 1 A 23 23 ARG H H 23 8.569 8.205 0.364 1
1 272 . 13 1 1 A 23 23 ARG HA H 23 4.223 4.111 0.112 1
1 279 . 13 1 1 A 23 23 ARG C C 23 178.246 177.699 0.547 1
1 280 . 13 1 1 A 23 23 ARG CA C 23 58.030 58.334 -0.304 1
1 281 . 13 1 1 A 23 23 ARG CB C 23 31.240 30.866 0.374 1
1 284 . 13 1 1 A 23 23 ARG N N 23 121.075 117.963 3.112 1
1 285 . 13 1 1 A 24 24 CYS H H 24 9.550 8.045 1.505 1
1 286 . 13 1 1 A 24 24 CYS HA H 24 3.872 4.580 -0.708 1
1 289 . 13 1 1 A 24 24 CYS C C 24 177.302 175.788 1.514 1
1 290 . 13 1 1 A 24 24 CYS CA C 24 63.060 59.621 3.439 1
1 291 . 13 1 1 A 24 24 CYS CB C 24 30.120 27.410 2.710 1
1 292 . 13 1 1 A 24 24 CYS N N 24 123.692 117.268 6.424 1
1 293 . 13 1 1 A 25 25 GLY H H 25 8.166 8.240 -0.074 1
1 294 . 13 1 1 A 25 25 GLY HA2 H 25 4.142 3.802 0.340 1
1 295 . 13 1 1 A 25 25 GLY HA3 H 25 3.623 3.887 -0.264 1
1 296 . 13 1 1 A 25 25 GLY CA C 25 44.640 48.078 -3.438 1
1 297 . 13 1 1 A 25 25 GLY N N 25 107.593 109.729 -2.136 1
1 298 . 13 1 1 A 26 26 PRO HA H 26 2.807 4.079 -1.272 1
1 305 . 13 1 1 A 26 26 PRO C C 26 176.940 177.504 -0.564 1
1 306 . 13 1 1 A 26 26 PRO CA C 26 63.060 63.593 -0.533 1
1 307 . 13 1 1 A 26 26 PRO CB C 26 31.650 30.776 0.874 1
1 310 . 13 1 1 A 27 27 GLY H H 27 6.847 8.618 -1.771 1
1 311 . 13 1 1 A 27 27 GLY HA2 H 27 3.800 3.887 -0.087 1
1 312 . 13 1 1 A 27 27 GLY HA3 H 27 3.334 3.892 -0.558 1
1 313 . 13 1 1 A 27 27 GLY C C 27 172.705 173.590 -0.885 1
1 314 . 13 1 1 A 27 27 GLY CA C 27 44.400 45.166 -0.766 1
1 315 . 13 1 1 A 27 27 GLY N N 27 108.726 112.836 -4.110 1
1 316 . 13 1 1 A 28 28 VAL H H 28 7.416 7.591 -0.175 1
1 317 . 13 1 1 A 28 28 VAL HA H 28 3.964 4.263 -0.299 1
1 325 . 13 1 1 A 28 28 VAL C C 28 174.626 175.776 -1.150 1
1 326 . 13 1 1 A 28 28 VAL CA C 28 62.040 61.345 0.695 1
1 327 . 13 1 1 A 28 28 VAL CB C 28 32.080 33.217 -1.137 1
1 330 . 13 1 1 A 28 28 VAL N N 28 123.159 122.013 1.146 1
1 331 . 13 1 1 A 29 29 PHE H H 29 8.484 8.800 -0.316 1
1 332 . 13 1 1 A 29 29 PHE HA H 29 4.905 5.187 -0.282 1
1 340 . 13 1 1 A 29 29 PHE C C 29 177.349 174.744 2.605 1
1 341 . 13 1 1 A 29 29 PHE CA C 29 57.800 56.787 1.013 1
1 342 . 13 1 1 A 29 29 PHE CB C 29 40.050 40.571 -0.521 1
1 346 . 13 1 1 A 29 29 PHE N N 29 124.513 126.011 -1.498 1
1 347 . 13 1 1 A 30 30 LEU H H 30 8.615 8.797 -0.182 1
1 348 . 13 1 1 A 30 30 LEU HA H 30 4.425 5.118 -0.693 1
1 358 . 13 1 1 A 30 30 LEU C C 30 176.877 175.724 1.153 1
1 359 . 13 1 1 A 30 30 LEU CA C 30 54.180 53.724 0.456 1
1 360 . 13 1 1 A 30 30 LEU CB C 30 42.470 45.508 -3.038 1
1 364 . 13 1 1 A 30 30 LEU N N 30 120.729 121.741 -1.012 1
1 365 . 13 1 1 A 31 31 ALA H H 31 9.109 8.890 0.219 1
1 366 . 13 1 1 A 31 31 ALA HA H 31 4.502 4.539 -0.037 1
1 370 . 13 1 1 A 31 31 ALA C C 31 176.231 176.523 -0.292 1
1 371 . 13 1 1 A 31 31 ALA CA C 31 51.170 51.970 -0.800 1
1 372 . 13 1 1 A 31 31 ALA CB C 31 20.140 18.559 1.581 1
1 373 . 13 1 1 A 31 31 ALA N N 31 126.827 130.099 -3.272 1
1 374 . 13 1 1 A 32 32 GLU H H 32 8.580 8.625 -0.045 1
1 375 . 13 1 1 A 32 32 GLU HA H 32 4.172 4.396 -0.224 1
1 380 . 13 1 1 A 32 32 GLU C C 32 174.736 174.998 -0.262 1
1 381 . 13 1 1 A 32 32 GLU CA C 32 56.140 56.403 -0.263 1
1 382 . 13 1 1 A 32 32 GLU CB C 32 30.540 30.365 0.175 1
1 384 . 13 1 1 A 32 32 GLU N N 32 122.632 126.013 -3.381 1
1 385 . 13 1 1 A 33 33 HIS H H 33 8.596 8.719 -0.123 1
1 386 . 13 1 1 A 33 33 HIS HA H 33 4.816 4.807 0.009 1
1 390 . 13 1 1 A 33 33 HIS CA C 33 53.900 54.842 -0.942 1
1 391 . 13 1 1 A 33 33 HIS CB C 33 33.160 33.693 -0.533 1
1 393 . 13 1 1 A 33 33 HIS N N 33 126.719 123.568 3.151 1
1 394 . 13 1 1 A 34 34 ALA HA H 34 4.011 3.889 0.122 1
1 398 . 13 1 1 A 34 34 ALA C C 34 178.514 179.055 -0.541 1
1 399 . 13 1 1 A 34 34 ALA CA C 34 55.850 54.955 0.895 1
1 400 . 13 1 1 A 34 34 ALA CB C 34 18.060 18.456 -0.396 1
1 401 . 13 1 1 A 35 35 ASP H H 35 8.241 7.810 0.431 1
1 402 . 13 1 1 A 35 35 ASP HA H 35 4.737 4.540 0.197 1
1 405 . 13 1 1 A 35 35 ASP C C 35 177.003 175.877 1.126 1
1 406 . 13 1 1 A 35 35 ASP CA C 35 53.040 55.996 -2.956 1
1 407 . 13 1 1 A 35 35 ASP CB C 35 41.840 42.233 -0.393 1
1 408 . 13 1 1 A 35 35 ASP N N 35 108.393 116.829 -8.436 1
1 409 . 13 1 1 A 36 36 ARG H H 36 7.175 7.608 -0.433 1
1 410 . 13 1 1 A 36 36 ARG HA H 36 4.940 4.553 0.387 1
1 417 . 13 1 1 A 36 36 ARG C C 36 171.430 173.308 -1.878 1
1 418 . 13 1 1 A 36 36 ARG CA C 36 54.670 55.016 -0.346 1
1 419 . 13 1 1 A 36 36 ARG CB C 36 31.550 32.133 -0.583 1
1 422 . 13 1 1 A 36 36 ARG N N 36 116.403 114.519 1.884 1
1 423 . 13 1 1 A 37 37 TYR H H 37 9.025 9.465 -0.440 1
1 424 . 13 1 1 A 37 37 TYR HA H 37 5.546 5.543 0.003 1
1 431 . 13 1 1 A 37 37 TYR C C 37 176.027 174.770 1.257 1
1 432 . 13 1 1 A 37 37 TYR CA C 37 56.400 57.123 -0.723 1
1 433 . 13 1 1 A 37 37 TYR CB C 37 41.830 40.348 1.482 1
1 436 . 13 1 1 A 37 37 TYR N N 37 118.099 118.840 -0.741 1
1 437 . 13 1 1 A 38 38 SER H H 38 9.208 9.110 0.098 1
1 438 . 13 1 1 A 38 38 SER HA H 38 5.675 5.315 0.360 1
1 441 . 13 1 1 A 38 38 SER C C 38 172.862 172.477 0.385 1
1 442 . 13 1 1 A 38 38 SER CA C 38 57.200 56.574 0.626 1
1 443 . 13 1 1 A 38 38 SER CB C 38 67.430 66.859 0.571 1
1 444 . 13 1 1 A 38 38 SER N N 38 114.608 116.442 -1.834 1
1 445 . 13 1 1 A 39 39 CYS H H 39 9.403 8.506 0.897 1
1 446 . 13 1 1 A 39 39 CYS HA H 39 4.781 4.859 -0.078 1
1 449 . 13 1 1 A 39 39 CYS C C 39 177.931 173.459 4.472 1
1 450 . 13 1 1 A 39 39 CYS CA C 39 58.680 57.994 0.686 1
1 451 . 13 1 1 A 39 39 CYS CB C 39 32.710 28.212 4.498 1
1 452 . 13 1 1 A 39 39 CYS N N 39 127.346 122.079 5.267 1
1 453 . 13 1 1 A 40 40 GLY H H 40 9.147 8.742 0.405 1
1 454 . 13 1 1 A 40 40 GLY HA2 H 40 4.053 3.910 0.143 1
1 455 . 13 1 1 A 40 40 GLY HA3 H 40 3.875 3.915 -0.040 1
1 456 . 13 1 1 A 40 40 GLY C C 40 173.602 174.169 -0.567 1
1 457 . 13 1 1 A 40 40 GLY CA C 40 46.270 47.075 -0.805 1
1 458 . 13 1 1 A 40 40 GLY N N 40 119.366 114.654 4.712 1
1 459 . 13 1 1 A 41 41 ARG H H 41 9.279 8.469 0.810 1
1 460 . 13 1 1 A 41 41 ARG HA H 41 4.362 4.593 -0.231 1
1 467 . 13 1 1 A 41 41 ARG C C 41 177.601 176.975 0.626 1
1 468 . 13 1 1 A 41 41 ARG CA C 41 58.200 57.119 1.081 1
1 469 . 13 1 1 A 41 41 ARG CB C 41 30.980 33.551 -2.571 1
1 472 . 13 1 1 A 41 41 ARG N N 41 123.467 124.533 -1.066 1
1 473 . 13 1 1 A 42 42 CYS H H 42 8.759 7.865 0.894 1
1 474 . 13 1 1 A 42 42 CYS HA H 42 4.944 4.608 0.336 1
1 477 . 13 1 1 A 42 42 CYS C C 42 177.160 175.739 1.421 1
1 478 . 13 1 1 A 42 42 CYS CA C 42 58.390 58.590 -0.200 1
1 479 . 13 1 1 A 42 42 CYS CB C 42 33.600 29.612 3.988 1
1 480 . 13 1 1 A 42 42 CYS N N 42 118.328 115.446 2.882 1
1 481 . 13 1 1 A 43 43 GLY H H 43 7.686 8.206 -0.520 1
1 482 . 13 1 1 A 43 43 GLY HA2 H 43 4.251 3.930 0.321 1
1 483 . 13 1 1 A 43 43 GLY HA3 H 43 3.782 3.931 -0.149 1
1 484 . 13 1 1 A 43 43 GLY C C 43 174.122 174.013 0.109 1
1 485 . 13 1 1 A 43 43 GLY CA C 43 46.100 46.097 0.003 1
1 486 . 13 1 1 A 43 43 GLY N N 43 112.843 111.581 1.262 1
1 487 . 13 1 1 A 44 44 TYR H H 44 9.285 8.119 1.166 1
1 488 . 13 1 1 A 44 44 TYR HA H 44 4.109 4.546 -0.437 1
1 495 . 13 1 1 A 44 44 TYR C C 44 174.248 174.814 -0.566 1
1 496 . 13 1 1 A 44 44 TYR CA C 44 60.680 57.906 2.774 1
1 497 . 13 1 1 A 44 44 TYR CB C 44 39.840 38.985 0.855 1
1 500 . 13 1 1 A 44 44 TYR N N 44 127.411 121.644 5.767 1
1 501 . 13 1 1 A 45 45 THR H H 45 7.572 8.340 -0.768 1
1 502 . 13 1 1 A 45 45 THR HA H 45 4.763 5.110 -0.347 1
1 507 . 13 1 1 A 45 45 THR C C 45 171.635 172.847 -1.212 1
1 508 . 13 1 1 A 45 45 THR CA C 45 60.820 60.597 0.223 1
1 509 . 13 1 1 A 45 45 THR CB C 45 72.660 71.647 1.013 1
1 511 . 13 1 1 A 45 45 THR N N 45 122.481 124.046 -1.565 1
1 512 . 13 1 1 A 46 46 GLU H H 46 8.456 8.651 -0.195 1
1 513 . 13 1 1 A 46 46 GLU HA H 46 4.430 4.484 -0.054 1
1 518 . 13 1 1 A 46 46 GLU C C 46 175.240 174.719 0.521 1
1 519 . 13 1 1 A 46 46 GLU CA C 46 54.100 55.401 -1.301 1
1 520 . 13 1 1 A 46 46 GLU CB C 46 33.180 33.544 -0.364 1
1 522 . 13 1 1 A 46 46 GLU N N 46 124.924 124.737 0.187 1
1 523 . 13 1 1 A 47 47 PHE H H 47 9.084 8.903 0.181 1
1 524 . 13 1 1 A 47 47 PHE HA H 47 4.417 4.723 -0.306 1
1 529 . 13 1 1 A 47 47 PHE C C 47 176.987 175.888 1.099 1
1 530 . 13 1 1 A 47 47 PHE CA C 47 59.920 58.747 1.173 1
1 531 . 13 1 1 A 47 47 PHE CB C 47 39.420 39.560 -0.140 1
1 533 . 13 1 1 A 47 47 PHE N N 47 125.357 125.540 -0.183 1
1 534 . 13 1 1 A 48 48 LYS H H 48 8.082 8.268 -0.186 1
1 535 . 13 1 1 A 48 48 LYS HA H 48 4.233 4.551 -0.318 1
1 544 . 13 1 1 A 48 48 LYS C C 48 176.278 175.467 0.811 1
1 545 . 13 1 1 A 48 48 LYS CA C 48 57.670 56.674 0.996 1
1 546 . 13 1 1 A 48 48 LYS CB C 48 33.900 32.288 1.612 1
1 550 . 13 1 1 A 48 48 LYS N N 48 122.654 122.421 0.233 1
1 551 . 13 1 1 A 49 49 LYS H H 49 8.475 8.642 -0.167 1
1 552 . 13 1 1 A 49 49 LYS HA H 49 4.299 4.607 -0.308 1
1 561 . 13 1 1 A 49 49 LYS C C 49 175.979 176.466 -0.487 1
1 562 . 13 1 1 A 49 49 LYS CA C 49 56.100 55.215 0.885 1
1 563 . 13 1 1 A 49 49 LYS CB C 49 33.090 32.945 0.145 1
1 567 . 13 1 1 A 49 49 LYS N N 49 121.521 126.582 -5.061 1
1 568 . 13 1 1 A 50 50 ALA H H 50 8.250 8.807 -0.557 1
1 569 . 13 1 1 A 50 50 ALA HA H 50 4.264 4.186 0.078 1
1 573 . 13 1 1 A 50 50 ALA C C 50 177.617 177.159 0.458 1
1 574 . 13 1 1 A 50 50 ALA CA C 50 52.490 54.004 -1.514 1
1 575 . 13 1 1 A 50 50 ALA CB C 50 19.420 19.438 -0.018 1
1 576 . 13 1 1 A 50 50 ALA N N 50 125.681 129.813 -4.132 1
1 577 . 13 1 1 A 51 51 LYS H H 51 8.279 7.721 0.558 1
1 578 . 13 1 1 A 51 51 LYS HA H 51 4.296 4.800 -0.504 1
1 585 . 13 1 1 A 51 51 LYS C C 51 176.562 174.290 2.272 1
1 586 . 13 1 1 A 51 51 LYS CA C 51 56.300 55.716 0.584 1
1 587 . 13 1 1 A 51 51 LYS CB C 51 33.090 36.153 -3.063 1
1 591 . 13 1 1 A 51 51 LYS N N 51 121.304 116.620 4.684 1
1 592 . 13 1 1 A 52 52 LYS H H 52 8.312 8.905 -0.593 1
1 593 . 13 1 1 A 52 52 LYS HA H 52 4.298 5.084 -0.786 1
1 598 . 13 1 1 A 52 52 LYS C C 52 176.530 174.671 1.859 1
1 599 . 13 1 1 A 52 52 LYS CA C 52 56.140 54.894 1.246 1
1 600 . 13 1 1 A 52 52 LYS CB C 52 33.180 36.127 -2.947 1
1 603 . 13 1 1 A 52 52 LYS N N 52 123.129 123.019 0.110 1
1 604 . 13 1 1 A 53 53 SER H H 53 8.309 8.767 -0.458 1
1 605 . 13 1 1 A 53 53 SER HA H 53 4.399 4.684 -0.285 1
1 608 . 13 1 1 A 53 53 SER C C 53 174.531 174.096 0.435 1
1 609 . 13 1 1 A 53 53 SER CA C 53 58.140 56.851 1.289 1
1 610 . 13 1 1 A 53 53 SER CB C 53 63.780 62.762 1.018 1
1 611 . 13 1 1 A 53 53 SER N N 53 117.625 118.948 -1.323 1
1 612 . 13 1 1 A 54 54 LYS H H 54 8.409 8.031 0.378 1
1 613 . 13 1 1 A 54 54 LYS HA H 54 4.338 3.924 0.414 1
1 618 . 13 1 1 A 54 54 LYS CA C 54 56.650 58.724 -2.074 1
1 619 . 13 1 1 A 54 54 LYS CB C 54 32.920 31.049 1.871 1
1 621 . 13 1 1 A 54 54 LYS N N 54 123.196 123.501 -0.305 1
1 16 . 14 1 1 A 2 2 GLN H H 2 8.326 7.631 0.695 1
1 17 . 14 1 1 A 2 2 GLN HA H 2 4.252 4.777 -0.525 1
1 18 . 14 1 1 A 2 2 GLN CA C 2 55.970 54.402 1.568 1
1 19 . 14 1 1 A 2 2 GLN CB C 2 29.990 30.247 -0.257 1
1 20 . 14 1 1 A 2 2 GLN N N 2 123.332 121.332 2.000 1
1 21 . 14 1 1 A 3 3 LYS HA H 3 4.229 4.658 -0.429 1
1 22 . 14 1 1 A 3 3 LYS C C 3 176.404 175.568 0.836 1
1 23 . 14 1 1 A 3 3 LYS CA C 3 56.570 56.209 0.361 1
1 24 . 14 1 1 A 3 3 LYS CB C 3 32.880 33.408 -0.528 1
1 25 . 14 1 1 A 4 4 ARG H H 4 8.303 8.696 -0.393 1
1 26 . 14 1 1 A 4 4 ARG HA H 4 4.237 4.765 -0.528 1
1 33 . 14 1 1 A 4 4 ARG C C 4 176.656 177.062 -0.406 1
1 34 . 14 1 1 A 4 4 ARG CA C 4 56.420 54.010 2.410 1
1 35 . 14 1 1 A 4 4 ARG CB C 4 30.910 33.326 -2.416 1
1 38 . 14 1 1 A 4 4 ARG N N 4 122.770 124.781 -2.011 1
1 39 . 14 1 1 A 5 5 GLU H H 5 8.472 8.508 -0.036 1
1 40 . 14 1 1 A 5 5 GLU HA H 5 4.201 3.950 0.251 1
1 45 . 14 1 1 A 5 5 GLU C C 5 176.137 176.484 -0.347 1
1 46 . 14 1 1 A 5 5 GLU CA C 5 56.650 59.004 -2.354 1
1 47 . 14 1 1 A 5 5 GLU CB C 5 30.400 29.366 1.034 1
1 49 . 14 1 1 A 5 5 GLU N N 5 121.724 121.163 0.561 1
1 50 . 14 1 1 A 6 6 LEU H H 6 8.127 7.989 0.138 1
1 51 . 14 1 1 A 6 6 LEU HA H 6 4.200 4.053 0.147 1
1 61 . 14 1 1 A 6 6 LEU C C 6 176.782 174.975 1.807 1
1 62 . 14 1 1 A 6 6 LEU CA C 6 55.200 57.118 -1.918 1
1 63 . 14 1 1 A 6 6 LEU CB C 6 42.520 41.792 0.728 1
1 67 . 14 1 1 A 6 6 LEU N N 6 122.169 120.741 1.428 1
1 68 . 14 1 1 A 7 7 TYR H H 7 7.943 7.925 0.018 1
1 69 . 14 1 1 A 7 7 TYR HA H 7 4.636 5.168 -0.532 1
1 76 . 14 1 1 A 7 7 TYR C C 7 175.350 174.782 0.568 1
1 77 . 14 1 1 A 7 7 TYR CA C 7 57.420 56.542 0.878 1
1 78 . 14 1 1 A 7 7 TYR CB C 7 39.370 43.248 -3.878 1
1 81 . 14 1 1 A 7 7 TYR N N 7 119.193 116.958 2.235 1
1 82 . 14 1 1 A 8 8 GLU H H 8 8.314 8.701 -0.387 1
1 83 . 14 1 1 A 8 8 GLU HA H 8 4.314 4.451 -0.137 1
1 88 . 14 1 1 A 8 8 GLU C C 8 175.665 176.604 -0.939 1
1 89 . 14 1 1 A 8 8 GLU CA C 8 55.880 56.744 -0.864 1
1 90 . 14 1 1 A 8 8 GLU CB C 8 31.100 31.143 -0.043 1
1 92 . 14 1 1 A 8 8 GLU N N 8 121.754 121.279 0.475 1
1 93 . 14 1 1 A 9 9 ILE H H 9 8.116 8.298 -0.182 1
1 94 . 14 1 1 A 9 9 ILE HA H 9 4.204 4.588 -0.384 1
1 104 . 14 1 1 A 9 9 ILE C C 9 176.058 175.220 0.838 1
1 105 . 14 1 1 A 9 9 ILE CA C 9 60.640 59.064 1.576 1
1 106 . 14 1 1 A 9 9 ILE CB C 9 38.440 40.554 -2.114 1
1 110 . 14 1 1 A 9 9 ILE N N 9 121.966 119.278 2.688 1
1 111 . 14 1 1 A 10 10 ALA H H 10 8.472 8.491 -0.019 1
1 112 . 14 1 1 A 10 10 ALA HA H 10 4.342 4.525 -0.183 1
1 116 . 14 1 1 A 10 10 ALA C C 10 177.286 176.594 0.692 1
1 117 . 14 1 1 A 10 10 ALA CA C 10 52.450 51.473 0.977 1
1 118 . 14 1 1 A 10 10 ALA CB C 10 19.420 17.319 2.101 1
1 119 . 14 1 1 A 10 10 ALA N N 10 128.558 125.495 3.063 1
1 120 . 14 1 1 A 11 11 ASP H H 11 8.423 8.660 -0.237 1
1 121 . 14 1 1 A 11 11 ASP HA H 11 4.423 4.760 -0.337 1
1 124 . 14 1 1 A 11 11 ASP C C 11 176.798 177.549 -0.751 1
1 125 . 14 1 1 A 11 11 ASP CA C 11 54.780 55.859 -1.079 1
1 126 . 14 1 1 A 11 11 ASP CB C 11 40.900 42.270 -1.370 1
1 127 . 14 1 1 A 11 11 ASP N N 11 120.945 124.176 -3.231 1
1 128 . 14 1 1 A 12 12 GLY H H 12 8.263 8.226 0.037 1
1 129 . 14 1 1 A 12 12 GLY HA2 H 12 3.928 3.978 -0.050 1
1 130 . 14 1 1 A 12 12 GLY HA3 H 12 3.765 3.979 -0.214 1
1 131 . 14 1 1 A 12 12 GLY C C 12 174.326 174.787 -0.461 1
1 132 . 14 1 1 A 12 12 GLY CA C 12 45.630 46.987 -1.357 1
1 133 . 14 1 1 A 12 12 GLY N N 12 107.572 106.928 0.644 1
1 134 . 14 1 1 A 13 13 LYS H H 13 7.974 7.742 0.232 1
1 135 . 14 1 1 A 13 13 LYS HA H 13 4.286 4.047 0.239 1
1 144 . 14 1 1 A 13 13 LYS C C 13 176.105 177.243 -1.138 1
1 145 . 14 1 1 A 13 13 LYS CA C 13 55.970 58.535 -2.565 1
1 146 . 14 1 1 A 13 13 LYS CB C 13 33.000 32.658 0.342 1
1 150 . 14 1 1 A 13 13 LYS N N 13 120.339 121.476 -1.137 1
1 151 . 14 1 1 A 14 14 LEU H H 14 8.103 7.383 0.720 1
1 152 . 14 1 1 A 14 14 LEU HA H 14 4.355 4.563 -0.208 1
1 162 . 14 1 1 A 14 14 LEU C C 14 177.050 174.867 2.183 1
1 163 . 14 1 1 A 14 14 LEU CA C 14 54.990 53.949 1.041 1
1 164 . 14 1 1 A 14 14 LEU CB C 14 42.180 42.327 -0.147 1
1 168 . 14 1 1 A 14 14 LEU N N 14 122.169 119.794 2.375 1
1 169 . 14 1 1 A 15 15 VAL H H 15 8.236 8.802 -0.566 1
1 170 . 14 1 1 A 15 15 VAL HA H 15 4.090 5.028 -0.938 1
1 178 . 14 1 1 A 15 15 VAL C C 15 175.680 174.085 1.595 1
1 179 . 14 1 1 A 15 15 VAL CA C 15 62.000 58.576 3.424 1
1 180 . 14 1 1 A 15 15 VAL CB C 15 33.050 35.719 -2.669 1
1 182 . 14 1 1 A 15 15 VAL N N 15 122.264 122.391 -0.127 1
1 183 . 14 1 1 A 16 16 ARG H H 16 8.293 8.569 -0.276 1
1 184 . 14 1 1 A 16 16 ARG HA H 16 4.187 4.530 -0.343 1
1 191 . 14 1 1 A 16 16 ARG C C 16 175.822 176.375 -0.553 1
1 192 . 14 1 1 A 16 16 ARG CA C 16 55.820 55.333 0.487 1
1 193 . 14 1 1 A 16 16 ARG CB C 16 30.820 31.641 -0.821 1
1 196 . 14 1 1 A 16 16 ARG N N 16 124.903 123.122 1.781 1
1 197 . 14 1 1 A 17 17 LYS H H 17 8.239 8.688 -0.449 1
1 198 . 14 1 1 A 17 17 LYS HA H 17 4.130 4.165 -0.035 1
1 207 . 14 1 1 A 17 17 LYS C C 17 175.995 177.220 -1.225 1
1 208 . 14 1 1 A 17 17 LYS CA C 17 56.270 57.608 -1.338 1
1 209 . 14 1 1 A 17 17 LYS CB C 17 33.130 32.187 0.943 1
1 213 . 14 1 1 A 17 17 LYS N N 17 123.108 127.445 -4.337 1
1 214 . 14 1 1 A 18 18 HIS H H 18 8.067 9.007 -0.940 1
1 215 . 14 1 1 A 18 18 HIS HA H 18 4.572 4.491 0.081 1
1 218 . 14 1 1 A 18 18 HIS C C 18 174.736 174.689 0.047 1
1 219 . 14 1 1 A 18 18 HIS CA C 18 55.460 56.768 -1.308 1
1 220 . 14 1 1 A 18 18 HIS CB C 18 31.390 27.262 4.128 1
1 221 . 14 1 1 A 18 18 HIS N N 18 120.275 124.438 -4.163 1
1 222 . 14 1 1 A 19 19 ARG H H 19 8.767 8.706 0.061 1
1 223 . 14 1 1 A 19 19 ARG HA H 19 4.254 4.395 -0.141 1
1 230 . 14 1 1 A 19 19 ARG C C 19 175.790 175.752 0.038 1
1 231 . 14 1 1 A 19 19 ARG CA C 19 55.480 55.834 -0.354 1
1 232 . 14 1 1 A 19 19 ARG CB C 19 32.050 31.752 0.298 1
1 235 . 14 1 1 A 19 19 ARG N N 19 122.186 122.241 -0.055 1
1 236 . 14 1 1 A 20 20 PHE H H 20 7.866 8.879 -1.013 1
1 237 . 14 1 1 A 20 20 PHE HA H 20 5.296 5.110 0.186 1
1 245 . 14 1 1 A 20 20 PHE C C 20 174.673 175.615 -0.942 1
1 246 . 14 1 1 A 20 20 PHE CA C 20 54.520 56.831 -2.311 1
1 247 . 14 1 1 A 20 20 PHE CB C 20 40.050 41.211 -1.161 1
1 251 . 14 1 1 A 20 20 PHE N N 20 120.369 119.112 1.257 1
1 252 . 14 1 1 A 21 21 CYS H H 21 8.557 8.542 0.015 1
1 253 . 14 1 1 A 21 21 CYS HA H 21 4.062 4.491 -0.429 1
1 256 . 14 1 1 A 21 21 CYS CA C 21 56.880 57.584 -0.704 1
1 257 . 14 1 1 A 21 21 CYS CB C 21 30.710 28.695 2.015 1
1 258 . 14 1 1 A 21 21 CYS N N 21 123.994 123.033 0.961 1
1 259 . 14 1 1 A 22 22 PRO HA H 22 4.211 4.282 -0.071 1
1 266 . 14 1 1 A 22 22 PRO C C 22 177.475 178.412 -0.937 1
1 267 . 14 1 1 A 22 22 PRO CA C 22 64.260 65.459 -1.199 1
1 268 . 14 1 1 A 22 22 PRO CB C 22 31.730 31.831 -0.101 1
1 271 . 14 1 1 A 23 23 ARG H H 23 8.569 8.122 0.447 1
1 272 . 14 1 1 A 23 23 ARG HA H 23 4.223 4.184 0.039 1
1 279 . 14 1 1 A 23 23 ARG C C 23 178.246 178.200 0.046 1
1 280 . 14 1 1 A 23 23 ARG CA C 23 58.030 58.794 -0.764 1
1 281 . 14 1 1 A 23 23 ARG CB C 23 31.240 31.125 0.115 1
1 284 . 14 1 1 A 23 23 ARG N N 23 121.075 117.102 3.973 1
1 285 . 14 1 1 A 24 24 CYS H H 24 9.550 8.338 1.212 1
1 286 . 14 1 1 A 24 24 CYS HA H 24 3.872 4.484 -0.612 1
1 289 . 14 1 1 A 24 24 CYS C C 24 177.302 176.302 1.000 1
1 290 . 14 1 1 A 24 24 CYS CA C 24 63.060 60.735 2.325 1
1 291 . 14 1 1 A 24 24 CYS CB C 24 30.120 27.143 2.977 1
1 292 . 14 1 1 A 24 24 CYS N N 24 123.692 118.158 5.534 1
1 293 . 14 1 1 A 25 25 GLY H H 25 8.166 8.307 -0.141 1
1 294 . 14 1 1 A 25 25 GLY HA2 H 25 4.142 3.877 0.265 1
1 295 . 14 1 1 A 25 25 GLY HA3 H 25 3.623 3.992 -0.369 1
1 296 . 14 1 1 A 25 25 GLY CA C 25 44.640 48.142 -3.502 1
1 297 . 14 1 1 A 25 25 GLY N N 25 107.593 109.421 -1.828 1
1 298 . 14 1 1 A 26 26 PRO HA H 26 2.807 4.261 -1.454 1
1 305 . 14 1 1 A 26 26 PRO C C 26 176.940 177.656 -0.716 1
1 306 . 14 1 1 A 26 26 PRO CA C 26 63.060 63.812 -0.752 1
1 307 . 14 1 1 A 26 26 PRO CB C 26 31.650 31.024 0.626 1
1 310 . 14 1 1 A 27 27 GLY H H 27 6.847 8.952 -2.105 1
1 311 . 14 1 1 A 27 27 GLY HA2 H 27 3.800 3.969 -0.169 1
1 312 . 14 1 1 A 27 27 GLY HA3 H 27 3.334 4.023 -0.689 1
1 313 . 14 1 1 A 27 27 GLY C C 27 172.705 174.131 -1.426 1
1 314 . 14 1 1 A 27 27 GLY CA C 27 44.400 45.383 -0.983 1
1 315 . 14 1 1 A 27 27 GLY N N 27 108.726 113.051 -4.325 1
1 316 . 14 1 1 A 28 28 VAL H H 28 7.416 7.672 -0.256 1
1 317 . 14 1 1 A 28 28 VAL HA H 28 3.964 4.204 -0.240 1
1 325 . 14 1 1 A 28 28 VAL C C 28 174.626 175.536 -0.910 1
1 326 . 14 1 1 A 28 28 VAL CA C 28 62.040 61.509 0.531 1
1 327 . 14 1 1 A 28 28 VAL CB C 28 32.080 32.375 -0.295 1
1 330 . 14 1 1 A 28 28 VAL N N 28 123.159 122.267 0.892 1
1 331 . 14 1 1 A 29 29 PHE H H 29 8.484 9.005 -0.521 1
1 332 . 14 1 1 A 29 29 PHE HA H 29 4.905 4.806 0.099 1
1 340 . 14 1 1 A 29 29 PHE C C 29 177.349 174.665 2.684 1
1 341 . 14 1 1 A 29 29 PHE CA C 29 57.800 56.395 1.405 1
1 342 . 14 1 1 A 29 29 PHE CB C 29 40.050 40.380 -0.330 1
1 346 . 14 1 1 A 29 29 PHE N N 29 124.513 126.211 -1.698 1
1 347 . 14 1 1 A 30 30 LEU H H 30 8.615 8.803 -0.188 1
1 348 . 14 1 1 A 30 30 LEU HA H 30 4.425 5.063 -0.638 1
1 358 . 14 1 1 A 30 30 LEU C C 30 176.877 175.704 1.173 1
1 359 . 14 1 1 A 30 30 LEU CA C 30 54.180 53.774 0.406 1
1 360 . 14 1 1 A 30 30 LEU CB C 30 42.470 44.589 -2.119 1
1 364 . 14 1 1 A 30 30 LEU N N 30 120.729 121.730 -1.001 1
1 365 . 14 1 1 A 31 31 ALA H H 31 9.109 8.570 0.539 1
1 366 . 14 1 1 A 31 31 ALA HA H 31 4.502 4.571 -0.069 1
1 370 . 14 1 1 A 31 31 ALA C C 31 176.231 176.796 -0.565 1
1 371 . 14 1 1 A 31 31 ALA CA C 31 51.170 52.816 -1.646 1
1 372 . 14 1 1 A 31 31 ALA CB C 31 20.140 18.993 1.147 1
1 373 . 14 1 1 A 31 31 ALA N N 31 126.827 129.856 -3.029 1
1 374 . 14 1 1 A 32 32 GLU H H 32 8.580 8.754 -0.174 1
1 375 . 14 1 1 A 32 32 GLU HA H 32 4.172 3.927 0.245 1
1 380 . 14 1 1 A 32 32 GLU C C 32 174.736 175.198 -0.462 1
1 381 . 14 1 1 A 32 32 GLU CA C 32 56.140 55.535 0.605 1
1 382 . 14 1 1 A 32 32 GLU CB C 32 30.540 29.994 0.546 1
1 384 . 14 1 1 A 32 32 GLU N N 32 122.632 125.732 -3.100 1
1 385 . 14 1 1 A 33 33 HIS H H 33 8.596 8.927 -0.331 1
1 386 . 14 1 1 A 33 33 HIS HA H 33 4.816 4.875 -0.059 1
1 390 . 14 1 1 A 33 33 HIS CA C 33 53.900 54.736 -0.836 1
1 391 . 14 1 1 A 33 33 HIS CB C 33 33.160 32.319 0.841 1
1 393 . 14 1 1 A 33 33 HIS N N 33 126.719 124.475 2.244 1
1 394 . 14 1 1 A 34 34 ALA HA H 34 4.011 3.941 0.070 1
1 398 . 14 1 1 A 34 34 ALA C C 34 178.514 178.582 -0.068 1
1 399 . 14 1 1 A 34 34 ALA CA C 34 55.850 54.747 1.103 1
1 400 . 14 1 1 A 34 34 ALA CB C 34 18.060 18.485 -0.425 1
1 401 . 14 1 1 A 35 35 ASP H H 35 8.241 8.071 0.170 1
1 402 . 14 1 1 A 35 35 ASP HA H 35 4.737 4.683 0.054 1
1 405 . 14 1 1 A 35 35 ASP C C 35 177.003 176.228 0.775 1
1 406 . 14 1 1 A 35 35 ASP CA C 35 53.040 56.317 -3.277 1
1 407 . 14 1 1 A 35 35 ASP CB C 35 41.840 42.329 -0.489 1
1 408 . 14 1 1 A 35 35 ASP N N 35 108.393 115.767 -7.374 1
1 409 . 14 1 1 A 36 36 ARG H H 36 7.175 7.661 -0.486 1
1 410 . 14 1 1 A 36 36 ARG HA H 36 4.940 4.702 0.238 1
1 417 . 14 1 1 A 36 36 ARG C C 36 171.430 173.500 -2.070 1
1 418 . 14 1 1 A 36 36 ARG CA C 36 54.670 55.115 -0.445 1
1 419 . 14 1 1 A 36 36 ARG CB C 36 31.550 32.151 -0.601 1
1 422 . 14 1 1 A 36 36 ARG N N 36 116.403 113.764 2.639 1
1 423 . 14 1 1 A 37 37 TYR H H 37 9.025 9.306 -0.281 1
1 424 . 14 1 1 A 37 37 TYR HA H 37 5.546 5.716 -0.170 1
1 431 . 14 1 1 A 37 37 TYR C C 37 176.027 175.664 0.363 1
1 432 . 14 1 1 A 37 37 TYR CA C 37 56.400 57.236 -0.836 1
1 433 . 14 1 1 A 37 37 TYR CB C 37 41.830 40.179 1.651 1
1 436 . 14 1 1 A 37 37 TYR N N 37 118.099 119.005 -0.906 1
1 437 . 14 1 1 A 38 38 SER H H 38 9.208 9.228 -0.020 1
1 438 . 14 1 1 A 38 38 SER HA H 38 5.675 5.113 0.562 1
1 441 . 14 1 1 A 38 38 SER C C 38 172.862 172.944 -0.082 1
1 442 . 14 1 1 A 38 38 SER CA C 38 57.200 56.342 0.858 1
1 443 . 14 1 1 A 38 38 SER CB C 38 67.430 66.408 1.022 1
1 444 . 14 1 1 A 38 38 SER N N 38 114.608 116.790 -2.182 1
1 445 . 14 1 1 A 39 39 CYS H H 39 9.403 8.583 0.820 1
1 446 . 14 1 1 A 39 39 CYS HA H 39 4.781 5.151 -0.370 1
1 449 . 14 1 1 A 39 39 CYS C C 39 177.931 174.479 3.452 1
1 450 . 14 1 1 A 39 39 CYS CA C 39 58.680 57.198 1.482 1
1 451 . 14 1 1 A 39 39 CYS CB C 39 32.710 31.236 1.474 1
1 452 . 14 1 1 A 39 39 CYS N N 39 127.346 120.395 6.951 1
1 453 . 14 1 1 A 40 40 GLY H H 40 9.147 8.570 0.577 1
1 454 . 14 1 1 A 40 40 GLY HA2 H 40 4.053 3.981 0.072 1
1 455 . 14 1 1 A 40 40 GLY HA3 H 40 3.875 4.003 -0.128 1
1 456 . 14 1 1 A 40 40 GLY C C 40 173.602 175.052 -1.450 1
1 457 . 14 1 1 A 40 40 GLY CA C 40 46.270 44.602 1.668 1
1 458 . 14 1 1 A 40 40 GLY N N 40 119.366 113.640 5.726 1
1 459 . 14 1 1 A 41 41 ARG H H 41 9.279 8.766 0.513 1
1 460 . 14 1 1 A 41 41 ARG HA H 41 4.362 3.915 0.447 1
1 467 . 14 1 1 A 41 41 ARG C C 41 177.601 176.005 1.596 1
1 468 . 14 1 1 A 41 41 ARG CA C 41 58.200 58.523 -0.323 1
1 469 . 14 1 1 A 41 41 ARG CB C 41 30.980 28.081 2.899 1
1 472 . 14 1 1 A 41 41 ARG N N 41 123.467 116.668 6.799 1
1 473 . 14 1 1 A 42 42 CYS H H 42 8.759 8.262 0.497 1
1 474 . 14 1 1 A 42 42 CYS HA H 42 4.944 4.625 0.319 1
1 477 . 14 1 1 A 42 42 CYS C C 42 177.160 176.085 1.075 1
1 478 . 14 1 1 A 42 42 CYS CA C 42 58.390 58.444 -0.054 1
1 479 . 14 1 1 A 42 42 CYS CB C 42 33.600 28.944 4.656 1
1 480 . 14 1 1 A 42 42 CYS N N 42 118.328 114.261 4.067 1
1 481 . 14 1 1 A 43 43 GLY H H 43 7.686 8.036 -0.350 1
1 482 . 14 1 1 A 43 43 GLY HA2 H 43 4.251 3.954 0.297 1
1 483 . 14 1 1 A 43 43 GLY HA3 H 43 3.782 3.959 -0.177 1
1 484 . 14 1 1 A 43 43 GLY C C 43 174.122 174.094 0.028 1
1 485 . 14 1 1 A 43 43 GLY CA C 43 46.100 46.155 -0.055 1
1 486 . 14 1 1 A 43 43 GLY N N 43 112.843 110.918 1.925 1
1 487 . 14 1 1 A 44 44 TYR H H 44 9.285 7.679 1.606 1
1 488 . 14 1 1 A 44 44 TYR HA H 44 4.109 4.386 -0.277 1
1 495 . 14 1 1 A 44 44 TYR C C 44 174.248 174.911 -0.663 1
1 496 . 14 1 1 A 44 44 TYR CA C 44 60.680 58.828 1.852 1
1 497 . 14 1 1 A 44 44 TYR CB C 44 39.840 39.059 0.781 1
1 500 . 14 1 1 A 44 44 TYR N N 44 127.411 122.020 5.391 1
1 501 . 14 1 1 A 45 45 THR H H 45 7.572 8.382 -0.810 1
1 502 . 14 1 1 A 45 45 THR HA H 45 4.763 5.165 -0.402 1
1 507 . 14 1 1 A 45 45 THR C C 45 171.635 172.272 -0.637 1
1 508 . 14 1 1 A 45 45 THR CA C 45 60.820 60.762 0.058 1
1 509 . 14 1 1 A 45 45 THR CB C 45 72.660 71.490 1.170 1
1 511 . 14 1 1 A 45 45 THR N N 45 122.481 124.001 -1.520 1
1 512 . 14 1 1 A 46 46 GLU H H 46 8.456 9.088 -0.632 1
1 513 . 14 1 1 A 46 46 GLU HA H 46 4.430 4.891 -0.461 1
1 518 . 14 1 1 A 46 46 GLU C C 46 175.240 174.898 0.342 1
1 519 . 14 1 1 A 46 46 GLU CA C 46 54.100 54.309 -0.209 1
1 520 . 14 1 1 A 46 46 GLU CB C 46 33.180 33.214 -0.034 1
1 522 . 14 1 1 A 46 46 GLU N N 46 124.924 127.808 -2.884 1
1 523 . 14 1 1 A 47 47 PHE H H 47 9.084 8.960 0.124 1
1 524 . 14 1 1 A 47 47 PHE HA H 47 4.417 5.095 -0.678 1
1 529 . 14 1 1 A 47 47 PHE C C 47 176.987 175.790 1.197 1
1 530 . 14 1 1 A 47 47 PHE CA C 47 59.920 57.007 2.913 1
1 531 . 14 1 1 A 47 47 PHE CB C 47 39.420 41.563 -2.143 1
1 533 . 14 1 1 A 47 47 PHE N N 47 125.357 122.829 2.528 1
1 534 . 14 1 1 A 48 48 LYS H H 48 8.082 8.279 -0.197 1
1 535 . 14 1 1 A 48 48 LYS HA H 48 4.233 4.621 -0.388 1
1 544 . 14 1 1 A 48 48 LYS C C 48 176.278 175.470 0.808 1
1 545 . 14 1 1 A 48 48 LYS CA C 48 57.670 55.889 1.781 1
1 546 . 14 1 1 A 48 48 LYS CB C 48 33.900 31.486 2.414 1
1 550 . 14 1 1 A 48 48 LYS N N 48 122.654 122.460 0.194 1
1 551 . 14 1 1 A 49 49 LYS H H 49 8.475 8.343 0.132 1
1 552 . 14 1 1 A 49 49 LYS HA H 49 4.299 4.471 -0.172 1
1 561 . 14 1 1 A 49 49 LYS C C 49 175.979 176.977 -0.998 1
1 562 . 14 1 1 A 49 49 LYS CA C 49 56.100 56.604 -0.504 1
1 563 . 14 1 1 A 49 49 LYS CB C 49 33.090 32.748 0.342 1
1 567 . 14 1 1 A 49 49 LYS N N 49 121.521 124.299 -2.778 1
1 568 . 14 1 1 A 50 50 ALA H H 50 8.250 8.751 -0.501 1
1 569 . 14 1 1 A 50 50 ALA HA H 50 4.264 4.158 0.106 1
1 573 . 14 1 1 A 50 50 ALA C C 50 177.617 178.230 -0.613 1
1 574 . 14 1 1 A 50 50 ALA CA C 50 52.490 53.017 -0.527 1
1 575 . 14 1 1 A 50 50 ALA CB C 50 19.420 19.602 -0.182 1
1 576 . 14 1 1 A 50 50 ALA N N 50 125.681 128.853 -3.172 1
1 577 . 14 1 1 A 51 51 LYS H H 51 8.279 8.741 -0.462 1
1 578 . 14 1 1 A 51 51 LYS HA H 51 4.296 3.902 0.394 1
1 585 . 14 1 1 A 51 51 LYS C C 51 176.562 176.910 -0.348 1
1 586 . 14 1 1 A 51 51 LYS CA C 51 56.300 59.840 -3.540 1
1 587 . 14 1 1 A 51 51 LYS CB C 51 33.090 32.636 0.454 1
1 591 . 14 1 1 A 51 51 LYS N N 51 121.304 124.990 -3.686 1
1 592 . 14 1 1 A 52 52 LYS H H 52 8.312 7.952 0.360 1
1 593 . 14 1 1 A 52 52 LYS HA H 52 4.298 3.933 0.365 1
1 598 . 14 1 1 A 52 52 LYS C C 52 176.530 176.197 0.333 1
1 599 . 14 1 1 A 52 52 LYS CA C 52 56.140 58.537 -2.397 1
1 600 . 14 1 1 A 52 52 LYS CB C 52 33.180 31.112 2.068 1
1 603 . 14 1 1 A 52 52 LYS N N 52 123.129 117.947 5.182 1
1 604 . 14 1 1 A 53 53 SER H H 53 8.309 8.113 0.196 1
1 605 . 14 1 1 A 53 53 SER HA H 53 4.399 4.576 -0.177 1
1 608 . 14 1 1 A 53 53 SER C C 53 174.531 173.532 0.999 1
1 609 . 14 1 1 A 53 53 SER CA C 53 58.140 58.681 -0.541 1
1 610 . 14 1 1 A 53 53 SER CB C 53 63.780 64.969 -1.189 1
1 611 . 14 1 1 A 53 53 SER N N 53 117.625 113.717 3.908 1
1 612 . 14 1 1 A 54 54 LYS H H 54 8.409 7.732 0.677 1
1 613 . 14 1 1 A 54 54 LYS HA H 54 4.338 4.673 -0.335 1
1 618 . 14 1 1 A 54 54 LYS CA C 54 56.650 55.133 1.517 1
1 619 . 14 1 1 A 54 54 LYS CB C 54 32.920 34.876 -1.956 1
1 621 . 14 1 1 A 54 54 LYS N N 54 123.196 117.850 5.346 1
1 16 . 15 1 1 A 2 2 GLN H H 2 8.326 8.522 -0.196 1
1 17 . 15 1 1 A 2 2 GLN HA H 2 4.252 4.382 -0.130 1
1 18 . 15 1 1 A 2 2 GLN CA C 2 55.970 55.154 0.816 1
1 19 . 15 1 1 A 2 2 GLN CB C 2 29.990 27.446 2.544 1
1 20 . 15 1 1 A 2 2 GLN N N 2 123.332 124.137 -0.805 1
1 21 . 15 1 1 A 3 3 LYS HA H 3 4.229 4.734 -0.505 1
1 22 . 15 1 1 A 3 3 LYS C C 3 176.404 176.230 0.174 1
1 23 . 15 1 1 A 3 3 LYS CA C 3 56.570 54.358 2.212 1
1 24 . 15 1 1 A 3 3 LYS CB C 3 32.880 34.819 -1.939 1
1 25 . 15 1 1 A 4 4 ARG H H 4 8.303 8.738 -0.435 1
1 26 . 15 1 1 A 4 4 ARG HA H 4 4.237 4.268 -0.031 1
1 33 . 15 1 1 A 4 4 ARG C C 4 176.656 177.336 -0.680 1
1 34 . 15 1 1 A 4 4 ARG CA C 4 56.420 55.127 1.293 1
1 35 . 15 1 1 A 4 4 ARG CB C 4 30.910 28.886 2.024 1
1 38 . 15 1 1 A 4 4 ARG N N 4 122.770 120.629 2.141 1
1 39 . 15 1 1 A 5 5 GLU H H 5 8.472 8.345 0.127 1
1 40 . 15 1 1 A 5 5 GLU HA H 5 4.201 3.984 0.217 1
1 45 . 15 1 1 A 5 5 GLU C C 5 176.137 175.917 0.220 1
1 46 . 15 1 1 A 5 5 GLU CA C 5 56.650 59.463 -2.813 1
1 47 . 15 1 1 A 5 5 GLU CB C 5 30.400 29.021 1.379 1
1 49 . 15 1 1 A 5 5 GLU N N 5 121.724 124.452 -2.728 1
1 50 . 15 1 1 A 6 6 LEU H H 6 8.127 7.773 0.354 1
1 51 . 15 1 1 A 6 6 LEU HA H 6 4.200 4.020 0.180 1
1 61 . 15 1 1 A 6 6 LEU C C 6 176.782 176.292 0.490 1
1 62 . 15 1 1 A 6 6 LEU CA C 6 55.200 56.932 -1.732 1
1 63 . 15 1 1 A 6 6 LEU CB C 6 42.520 40.688 1.832 1
1 67 . 15 1 1 A 6 6 LEU N N 6 122.169 118.310 3.859 1
1 68 . 15 1 1 A 7 7 TYR H H 7 7.943 8.568 -0.625 1
1 69 . 15 1 1 A 7 7 TYR HA H 7 4.636 4.589 0.047 1
1 76 . 15 1 1 A 7 7 TYR C C 7 175.350 175.777 -0.427 1
1 77 . 15 1 1 A 7 7 TYR CA C 7 57.420 57.740 -0.320 1
1 78 . 15 1 1 A 7 7 TYR CB C 7 39.370 39.844 -0.474 1
1 81 . 15 1 1 A 7 7 TYR N N 7 119.193 121.757 -2.564 1
1 82 . 15 1 1 A 8 8 GLU H H 8 8.314 8.143 0.171 1
1 83 . 15 1 1 A 8 8 GLU HA H 8 4.314 4.361 -0.047 1
1 88 . 15 1 1 A 8 8 GLU C C 8 175.665 175.874 -0.209 1
1 89 . 15 1 1 A 8 8 GLU CA C 8 55.880 57.860 -1.980 1
1 90 . 15 1 1 A 8 8 GLU CB C 8 31.100 28.775 2.325 1
1 92 . 15 1 1 A 8 8 GLU N N 8 121.754 117.241 4.513 1
1 93 . 15 1 1 A 9 9 ILE H H 9 8.116 8.437 -0.321 1
1 94 . 15 1 1 A 9 9 ILE HA H 9 4.204 4.204 0.000 1
1 104 . 15 1 1 A 9 9 ILE C C 9 176.058 176.155 -0.097 1
1 105 . 15 1 1 A 9 9 ILE CA C 9 60.640 61.285 -0.645 1
1 106 . 15 1 1 A 9 9 ILE CB C 9 38.440 37.035 1.405 1
1 110 . 15 1 1 A 9 9 ILE N N 9 121.966 121.974 -0.008 1
1 111 . 15 1 1 A 10 10 ALA H H 10 8.472 8.201 0.271 1
1 112 . 15 1 1 A 10 10 ALA HA H 10 4.342 4.573 -0.231 1
1 116 . 15 1 1 A 10 10 ALA C C 10 177.286 176.885 0.401 1
1 117 . 15 1 1 A 10 10 ALA CA C 10 52.450 51.575 0.875 1
1 118 . 15 1 1 A 10 10 ALA CB C 10 19.420 20.250 -0.830 1
1 119 . 15 1 1 A 10 10 ALA N N 10 128.558 126.379 2.179 1
1 120 . 15 1 1 A 11 11 ASP H H 11 8.423 7.615 0.808 1
1 121 . 15 1 1 A 11 11 ASP HA H 11 4.423 4.663 -0.240 1
1 124 . 15 1 1 A 11 11 ASP C C 11 176.798 175.978 0.820 1
1 125 . 15 1 1 A 11 11 ASP CA C 11 54.780 54.764 0.016 1
1 126 . 15 1 1 A 11 11 ASP CB C 11 40.900 41.072 -0.172 1
1 127 . 15 1 1 A 11 11 ASP N N 11 120.945 118.718 2.227 1
1 128 . 15 1 1 A 12 12 GLY H H 12 8.263 8.560 -0.297 1
1 129 . 15 1 1 A 12 12 GLY HA2 H 12 3.928 4.173 -0.245 1
1 130 . 15 1 1 A 12 12 GLY HA3 H 12 3.765 4.176 -0.411 1
1 131 . 15 1 1 A 12 12 GLY C C 12 174.326 174.270 0.056 1
1 132 . 15 1 1 A 12 12 GLY CA C 12 45.630 44.310 1.320 1
1 133 . 15 1 1 A 12 12 GLY N N 12 107.572 108.211 -0.639 1
1 134 . 15 1 1 A 13 13 LYS H H 13 7.974 8.621 -0.647 1
1 135 . 15 1 1 A 13 13 LYS HA H 13 4.286 4.540 -0.254 1
1 144 . 15 1 1 A 13 13 LYS C C 13 176.105 176.431 -0.326 1
1 145 . 15 1 1 A 13 13 LYS CA C 13 55.970 56.218 -0.248 1
1 146 . 15 1 1 A 13 13 LYS CB C 13 33.000 32.679 0.321 1
1 150 . 15 1 1 A 13 13 LYS N N 13 120.339 119.994 0.345 1
1 151 . 15 1 1 A 14 14 LEU H H 14 8.103 7.667 0.436 1
1 152 . 15 1 1 A 14 14 LEU HA H 14 4.355 4.626 -0.271 1
1 162 . 15 1 1 A 14 14 LEU C C 14 177.050 176.756 0.294 1
1 163 . 15 1 1 A 14 14 LEU CA C 14 54.990 53.962 1.028 1
1 164 . 15 1 1 A 14 14 LEU CB C 14 42.180 39.669 2.511 1
1 168 . 15 1 1 A 14 14 LEU N N 14 122.169 121.146 1.023 1
1 169 . 15 1 1 A 15 15 VAL H H 15 8.236 8.178 0.058 1
1 170 . 15 1 1 A 15 15 VAL HA H 15 4.090 3.773 0.317 1
1 178 . 15 1 1 A 15 15 VAL C C 15 175.680 176.667 -0.987 1
1 179 . 15 1 1 A 15 15 VAL CA C 15 62.000 66.380 -4.380 1
1 180 . 15 1 1 A 15 15 VAL CB C 15 33.050 31.748 1.302 1
1 182 . 15 1 1 A 15 15 VAL N N 15 122.264 122.706 -0.442 1
1 183 . 15 1 1 A 16 16 ARG H H 16 8.293 7.567 0.726 1
1 184 . 15 1 1 A 16 16 ARG HA H 16 4.187 4.269 -0.082 1
1 191 . 15 1 1 A 16 16 ARG C C 16 175.822 175.969 -0.147 1
1 192 . 15 1 1 A 16 16 ARG CA C 16 55.820 55.837 -0.017 1
1 193 . 15 1 1 A 16 16 ARG CB C 16 30.820 30.573 0.247 1
1 196 . 15 1 1 A 16 16 ARG N N 16 124.903 120.748 4.155 1
1 197 . 15 1 1 A 17 17 LYS H H 17 8.239 8.772 -0.533 1
1 198 . 15 1 1 A 17 17 LYS HA H 17 4.130 4.404 -0.274 1
1 207 . 15 1 1 A 17 17 LYS C C 17 175.995 175.980 0.015 1
1 208 . 15 1 1 A 17 17 LYS CA C 17 56.270 56.205 0.065 1
1 209 . 15 1 1 A 17 17 LYS CB C 17 33.130 33.368 -0.238 1
1 213 . 15 1 1 A 17 17 LYS N N 17 123.108 124.728 -1.620 1
1 214 . 15 1 1 A 18 18 HIS H H 18 8.067 7.914 0.153 1
1 215 . 15 1 1 A 18 18 HIS HA H 18 4.572 3.965 0.607 1
1 218 . 15 1 1 A 18 18 HIS C C 18 174.736 174.077 0.659 1
1 219 . 15 1 1 A 18 18 HIS CA C 18 55.460 56.803 -1.343 1
1 220 . 15 1 1 A 18 18 HIS CB C 18 31.390 26.503 4.887 1
1 221 . 15 1 1 A 18 18 HIS N N 18 120.275 115.504 4.771 1
1 222 . 15 1 1 A 19 19 ARG H H 19 8.767 7.602 1.165 1
1 223 . 15 1 1 A 19 19 ARG HA H 19 4.254 4.119 0.135 1
1 230 . 15 1 1 A 19 19 ARG C C 19 175.790 175.692 0.098 1
1 231 . 15 1 1 A 19 19 ARG CA C 19 55.480 55.809 -0.329 1
1 232 . 15 1 1 A 19 19 ARG CB C 19 32.050 30.828 1.222 1
1 235 . 15 1 1 A 19 19 ARG N N 19 122.186 119.036 3.150 1
1 236 . 15 1 1 A 20 20 PHE H H 20 7.866 8.921 -1.055 1
1 237 . 15 1 1 A 20 20 PHE HA H 20 5.296 4.982 0.314 1
1 245 . 15 1 1 A 20 20 PHE C C 20 174.673 174.995 -0.322 1
1 246 . 15 1 1 A 20 20 PHE CA C 20 54.520 57.118 -2.598 1
1 247 . 15 1 1 A 20 20 PHE CB C 20 40.050 42.192 -2.142 1
1 251 . 15 1 1 A 20 20 PHE N N 20 120.369 122.572 -2.203 1
1 252 . 15 1 1 A 21 21 CYS H H 21 8.557 8.482 0.075 1
1 253 . 15 1 1 A 21 21 CYS HA H 21 4.062 4.345 -0.283 1
1 256 . 15 1 1 A 21 21 CYS CA C 21 56.880 56.476 0.404 1
1 257 . 15 1 1 A 21 21 CYS CB C 21 30.710 28.686 2.024 1
1 258 . 15 1 1 A 21 21 CYS N N 21 123.994 120.816 3.178 1
1 259 . 15 1 1 A 22 22 PRO HA H 22 4.211 4.278 -0.067 1
1 266 . 15 1 1 A 22 22 PRO C C 22 177.475 178.738 -1.263 1
1 267 . 15 1 1 A 22 22 PRO CA C 22 64.260 65.440 -1.180 1
1 268 . 15 1 1 A 22 22 PRO CB C 22 31.730 31.866 -0.136 1
1 271 . 15 1 1 A 23 23 ARG H H 23 8.569 8.157 0.412 1
1 272 . 15 1 1 A 23 23 ARG HA H 23 4.223 4.097 0.126 1
1 279 . 15 1 1 A 23 23 ARG C C 23 178.246 177.863 0.383 1
1 280 . 15 1 1 A 23 23 ARG CA C 23 58.030 58.897 -0.867 1
1 281 . 15 1 1 A 23 23 ARG CB C 23 31.240 30.695 0.545 1
1 284 . 15 1 1 A 23 23 ARG N N 23 121.075 117.125 3.950 1
1 285 . 15 1 1 A 24 24 CYS H H 24 9.550 8.026 1.524 1
1 286 . 15 1 1 A 24 24 CYS HA H 24 3.872 4.611 -0.739 1
1 289 . 15 1 1 A 24 24 CYS C C 24 177.302 175.760 1.542 1
1 290 . 15 1 1 A 24 24 CYS CA C 24 63.060 59.488 3.572 1
1 291 . 15 1 1 A 24 24 CYS CB C 24 30.120 27.666 2.454 1
1 292 . 15 1 1 A 24 24 CYS N N 24 123.692 117.198 6.494 1
1 293 . 15 1 1 A 25 25 GLY H H 25 8.166 8.346 -0.180 1
1 294 . 15 1 1 A 25 25 GLY HA2 H 25 4.142 3.755 0.387 1
1 295 . 15 1 1 A 25 25 GLY HA3 H 25 3.623 3.808 -0.185 1
1 296 . 15 1 1 A 25 25 GLY CA C 25 44.640 47.969 -3.329 1
1 297 . 15 1 1 A 25 25 GLY N N 25 107.593 109.702 -2.109 1
1 298 . 15 1 1 A 26 26 PRO HA H 26 2.807 4.161 -1.354 1
1 305 . 15 1 1 A 26 26 PRO C C 26 176.940 177.455 -0.515 1
1 306 . 15 1 1 A 26 26 PRO CA C 26 63.060 63.521 -0.461 1
1 307 . 15 1 1 A 26 26 PRO CB C 26 31.650 30.558 1.092 1
1 310 . 15 1 1 A 27 27 GLY H H 27 6.847 8.671 -1.824 1
1 311 . 15 1 1 A 27 27 GLY HA2 H 27 3.800 3.972 -0.172 1
1 312 . 15 1 1 A 27 27 GLY HA3 H 27 3.334 3.980 -0.646 1
1 313 . 15 1 1 A 27 27 GLY C C 27 172.705 173.518 -0.813 1
1 314 . 15 1 1 A 27 27 GLY CA C 27 44.400 45.242 -0.842 1
1 315 . 15 1 1 A 27 27 GLY N N 27 108.726 113.016 -4.290 1
1 316 . 15 1 1 A 28 28 VAL H H 28 7.416 7.864 -0.448 1
1 317 . 15 1 1 A 28 28 VAL HA H 28 3.964 4.590 -0.626 1
1 325 . 15 1 1 A 28 28 VAL C C 28 174.626 175.204 -0.578 1
1 326 . 15 1 1 A 28 28 VAL CA C 28 62.040 61.657 0.383 1
1 327 . 15 1 1 A 28 28 VAL CB C 28 32.080 33.957 -1.877 1
1 330 . 15 1 1 A 28 28 VAL N N 28 123.159 121.336 1.823 1
1 331 . 15 1 1 A 29 29 PHE H H 29 8.484 9.314 -0.830 1
1 332 . 15 1 1 A 29 29 PHE HA H 29 4.905 4.921 -0.016 1
1 340 . 15 1 1 A 29 29 PHE C C 29 177.349 174.822 2.527 1
1 341 . 15 1 1 A 29 29 PHE CA C 29 57.800 57.080 0.720 1
1 342 . 15 1 1 A 29 29 PHE CB C 29 40.050 39.806 0.244 1
1 346 . 15 1 1 A 29 29 PHE N N 29 124.513 126.447 -1.934 1
1 347 . 15 1 1 A 30 30 LEU H H 30 8.615 8.681 -0.066 1
1 348 . 15 1 1 A 30 30 LEU HA H 30 4.425 4.871 -0.446 1
1 358 . 15 1 1 A 30 30 LEU C C 30 176.877 175.401 1.476 1
1 359 . 15 1 1 A 30 30 LEU CA C 30 54.180 53.794 0.386 1
1 360 . 15 1 1 A 30 30 LEU CB C 30 42.470 44.165 -1.695 1
1 364 . 15 1 1 A 30 30 LEU N N 30 120.729 122.864 -2.135 1
1 365 . 15 1 1 A 31 31 ALA H H 31 9.109 8.343 0.766 1
1 366 . 15 1 1 A 31 31 ALA HA H 31 4.502 4.512 -0.010 1
1 370 . 15 1 1 A 31 31 ALA C C 31 176.231 176.678 -0.447 1
1 371 . 15 1 1 A 31 31 ALA CA C 31 51.170 52.390 -1.220 1
1 372 . 15 1 1 A 31 31 ALA CB C 31 20.140 18.978 1.162 1
1 373 . 15 1 1 A 31 31 ALA N N 31 126.827 130.038 -3.211 1
1 374 . 15 1 1 A 32 32 GLU H H 32 8.580 8.645 -0.065 1
1 375 . 15 1 1 A 32 32 GLU HA H 32 4.172 4.472 -0.300 1
1 380 . 15 1 1 A 32 32 GLU C C 32 174.736 174.967 -0.231 1
1 381 . 15 1 1 A 32 32 GLU CA C 32 56.140 55.307 0.833 1
1 382 . 15 1 1 A 32 32 GLU CB C 32 30.540 29.311 1.229 1
1 384 . 15 1 1 A 32 32 GLU N N 32 122.632 125.841 -3.209 1
1 385 . 15 1 1 A 33 33 HIS H H 33 8.596 8.680 -0.084 1
1 386 . 15 1 1 A 33 33 HIS HA H 33 4.816 4.753 0.063 1
1 390 . 15 1 1 A 33 33 HIS CA C 33 53.900 56.100 -2.200 1
1 391 . 15 1 1 A 33 33 HIS CB C 33 33.160 31.121 2.039 1
1 393 . 15 1 1 A 33 33 HIS N N 33 126.719 125.039 1.680 1
1 394 . 15 1 1 A 34 34 ALA HA H 34 4.011 3.852 0.159 1
1 398 . 15 1 1 A 34 34 ALA C C 34 178.514 179.036 -0.522 1
1 399 . 15 1 1 A 34 34 ALA CA C 34 55.850 54.789 1.061 1
1 400 . 15 1 1 A 34 34 ALA CB C 34 18.060 18.453 -0.393 1
1 401 . 15 1 1 A 35 35 ASP H H 35 8.241 7.989 0.252 1
1 402 . 15 1 1 A 35 35 ASP HA H 35 4.737 4.586 0.151 1
1 405 . 15 1 1 A 35 35 ASP C C 35 177.003 176.393 0.610 1
1 406 . 15 1 1 A 35 35 ASP CA C 35 53.040 56.524 -3.484 1
1 407 . 15 1 1 A 35 35 ASP CB C 35 41.840 41.843 -0.003 1
1 408 . 15 1 1 A 35 35 ASP N N 35 108.393 115.825 -7.432 1
1 409 . 15 1 1 A 36 36 ARG H H 36 7.175 7.585 -0.410 1
1 410 . 15 1 1 A 36 36 ARG HA H 36 4.940 4.474 0.466 1
1 417 . 15 1 1 A 36 36 ARG C C 36 171.430 173.274 -1.844 1
1 418 . 15 1 1 A 36 36 ARG CA C 36 54.670 54.934 -0.264 1
1 419 . 15 1 1 A 36 36 ARG CB C 36 31.550 32.009 -0.459 1
1 422 . 15 1 1 A 36 36 ARG N N 36 116.403 113.332 3.071 1
1 423 . 15 1 1 A 37 37 TYR H H 37 9.025 9.397 -0.372 1
1 424 . 15 1 1 A 37 37 TYR HA H 37 5.546 5.559 -0.013 1
1 431 . 15 1 1 A 37 37 TYR C C 37 176.027 174.977 1.050 1
1 432 . 15 1 1 A 37 37 TYR CA C 37 56.400 57.022 -0.622 1
1 433 . 15 1 1 A 37 37 TYR CB C 37 41.830 40.670 1.160 1
1 436 . 15 1 1 A 37 37 TYR N N 37 118.099 118.854 -0.755 1
1 437 . 15 1 1 A 38 38 SER H H 38 9.208 8.870 0.338 1
1 438 . 15 1 1 A 38 38 SER HA H 38 5.675 5.373 0.302 1
1 441 . 15 1 1 A 38 38 SER C C 38 172.862 172.600 0.262 1
1 442 . 15 1 1 A 38 38 SER CA C 38 57.200 56.410 0.790 1
1 443 . 15 1 1 A 38 38 SER CB C 38 67.430 65.927 1.503 1
1 444 . 15 1 1 A 38 38 SER N N 38 114.608 116.420 -1.812 1
1 445 . 15 1 1 A 39 39 CYS H H 39 9.403 8.615 0.788 1
1 446 . 15 1 1 A 39 39 CYS HA H 39 4.781 4.766 0.015 1
1 449 . 15 1 1 A 39 39 CYS C C 39 177.931 173.397 4.534 1
1 450 . 15 1 1 A 39 39 CYS CA C 39 58.680 57.950 0.730 1
1 451 . 15 1 1 A 39 39 CYS CB C 39 32.710 28.157 4.553 1
1 452 . 15 1 1 A 39 39 CYS N N 39 127.346 123.910 3.436 1
1 453 . 15 1 1 A 40 40 GLY H H 40 9.147 8.731 0.416 1
1 454 . 15 1 1 A 40 40 GLY HA2 H 40 4.053 3.891 0.162 1
1 455 . 15 1 1 A 40 40 GLY HA3 H 40 3.875 3.895 -0.020 1
1 456 . 15 1 1 A 40 40 GLY C C 40 173.602 174.132 -0.530 1
1 457 . 15 1 1 A 40 40 GLY CA C 40 46.270 47.169 -0.899 1
1 458 . 15 1 1 A 40 40 GLY N N 40 119.366 114.676 4.690 1
1 459 . 15 1 1 A 41 41 ARG H H 41 9.279 8.214 1.065 1
1 460 . 15 1 1 A 41 41 ARG HA H 41 4.362 4.524 -0.162 1
1 467 . 15 1 1 A 41 41 ARG C C 41 177.601 177.216 0.385 1
1 468 . 15 1 1 A 41 41 ARG CA C 41 58.200 56.792 1.408 1
1 469 . 15 1 1 A 41 41 ARG CB C 41 30.980 33.145 -2.165 1
1 472 . 15 1 1 A 41 41 ARG N N 41 123.467 120.747 2.720 1
1 473 . 15 1 1 A 42 42 CYS H H 42 8.759 8.060 0.699 1
1 474 . 15 1 1 A 42 42 CYS HA H 42 4.944 4.654 0.290 1
1 477 . 15 1 1 A 42 42 CYS C C 42 177.160 176.161 0.999 1
1 478 . 15 1 1 A 42 42 CYS CA C 42 58.390 58.802 -0.412 1
1 479 . 15 1 1 A 42 42 CYS CB C 42 33.600 30.211 3.389 1
1 480 . 15 1 1 A 42 42 CYS N N 42 118.328 114.026 4.302 1
1 481 . 15 1 1 A 43 43 GLY H H 43 7.686 8.057 -0.371 1
1 482 . 15 1 1 A 43 43 GLY HA2 H 43 4.251 3.879 0.372 1
1 483 . 15 1 1 A 43 43 GLY HA3 H 43 3.782 3.881 -0.099 1
1 484 . 15 1 1 A 43 43 GLY C C 43 174.122 173.905 0.217 1
1 485 . 15 1 1 A 43 43 GLY CA C 43 46.100 45.861 0.239 1
1 486 . 15 1 1 A 43 43 GLY N N 43 112.843 110.424 2.419 1
1 487 . 15 1 1 A 44 44 TYR H H 44 9.285 8.059 1.226 1
1 488 . 15 1 1 A 44 44 TYR HA H 44 4.109 4.560 -0.451 1
1 495 . 15 1 1 A 44 44 TYR C C 44 174.248 174.816 -0.568 1
1 496 . 15 1 1 A 44 44 TYR CA C 44 60.680 57.311 3.369 1
1 497 . 15 1 1 A 44 44 TYR CB C 44 39.840 38.685 1.155 1
1 500 . 15 1 1 A 44 44 TYR N N 44 127.411 121.561 5.850 1
1 501 . 15 1 1 A 45 45 THR H H 45 7.572 8.558 -0.986 1
1 502 . 15 1 1 A 45 45 THR HA H 45 4.763 5.203 -0.440 1
1 507 . 15 1 1 A 45 45 THR C C 45 171.635 173.135 -1.500 1
1 508 . 15 1 1 A 45 45 THR CA C 45 60.820 60.794 0.026 1
1 509 . 15 1 1 A 45 45 THR CB C 45 72.660 71.761 0.899 1
1 511 . 15 1 1 A 45 45 THR N N 45 122.481 123.908 -1.427 1
1 512 . 15 1 1 A 46 46 GLU H H 46 8.456 8.513 -0.057 1
1 513 . 15 1 1 A 46 46 GLU HA H 46 4.430 4.509 -0.079 1
1 518 . 15 1 1 A 46 46 GLU C C 46 175.240 174.909 0.331 1
1 519 . 15 1 1 A 46 46 GLU CA C 46 54.100 55.800 -1.700 1
1 520 . 15 1 1 A 46 46 GLU CB C 46 33.180 33.852 -0.672 1
1 522 . 15 1 1 A 46 46 GLU N N 46 124.924 124.980 -0.056 1
1 523 . 15 1 1 A 47 47 PHE H H 47 9.084 8.824 0.260 1
1 524 . 15 1 1 A 47 47 PHE HA H 47 4.417 4.636 -0.219 1
1 529 . 15 1 1 A 47 47 PHE C C 47 176.987 175.743 1.244 1
1 530 . 15 1 1 A 47 47 PHE CA C 47 59.920 58.635 1.285 1
1 531 . 15 1 1 A 47 47 PHE CB C 47 39.420 39.613 -0.193 1
1 533 . 15 1 1 A 47 47 PHE N N 47 125.357 123.865 1.492 1
1 534 . 15 1 1 A 48 48 LYS H H 48 8.082 8.527 -0.445 1
1 535 . 15 1 1 A 48 48 LYS HA H 48 4.233 4.410 -0.177 1
1 544 . 15 1 1 A 48 48 LYS C C 48 176.278 175.156 1.122 1
1 545 . 15 1 1 A 48 48 LYS CA C 48 57.670 56.142 1.528 1
1 546 . 15 1 1 A 48 48 LYS CB C 48 33.900 30.816 3.084 1
1 550 . 15 1 1 A 48 48 LYS N N 48 122.654 122.480 0.174 1
1 551 . 15 1 1 A 49 49 LYS H H 49 8.475 8.535 -0.060 1
1 552 . 15 1 1 A 49 49 LYS HA H 49 4.299 4.642 -0.343 1
1 561 . 15 1 1 A 49 49 LYS C C 49 175.979 176.213 -0.234 1
1 562 . 15 1 1 A 49 49 LYS CA C 49 56.100 55.475 0.625 1
1 563 . 15 1 1 A 49 49 LYS CB C 49 33.090 32.756 0.334 1
1 567 . 15 1 1 A 49 49 LYS N N 49 121.521 125.354 -3.833 1
1 568 . 15 1 1 A 50 50 ALA H H 50 8.250 8.657 -0.407 1
1 569 . 15 1 1 A 50 50 ALA HA H 50 4.264 4.468 -0.204 1
1 573 . 15 1 1 A 50 50 ALA C C 50 177.617 177.717 -0.100 1
1 574 . 15 1 1 A 50 50 ALA CA C 50 52.490 52.116 0.374 1
1 575 . 15 1 1 A 50 50 ALA CB C 50 19.420 19.638 -0.218 1
1 576 . 15 1 1 A 50 50 ALA N N 50 125.681 127.294 -1.613 1
1 577 . 15 1 1 A 51 51 LYS H H 51 8.279 7.627 0.652 1
1 578 . 15 1 1 A 51 51 LYS HA H 51 4.296 4.255 0.041 1
1 585 . 15 1 1 A 51 51 LYS C C 51 176.562 177.392 -0.830 1
1 586 . 15 1 1 A 51 51 LYS CA C 51 56.300 57.017 -0.717 1
1 587 . 15 1 1 A 51 51 LYS CB C 51 33.090 32.977 0.113 1
1 591 . 15 1 1 A 51 51 LYS N N 51 121.304 118.789 2.515 1
1 592 . 15 1 1 A 52 52 LYS H H 52 8.312 8.930 -0.618 1
1 593 . 15 1 1 A 52 52 LYS HA H 52 4.298 4.054 0.244 1
1 598 . 15 1 1 A 52 52 LYS C C 52 176.530 176.420 0.110 1
1 599 . 15 1 1 A 52 52 LYS CA C 52 56.140 57.151 -1.011 1
1 600 . 15 1 1 A 52 52 LYS CB C 52 33.180 30.875 2.305 1
1 603 . 15 1 1 A 52 52 LYS N N 52 123.129 124.160 -1.031 1
1 604 . 15 1 1 A 53 53 SER H H 53 8.309 8.342 -0.033 1
1 605 . 15 1 1 A 53 53 SER HA H 53 4.399 4.200 0.199 1
1 608 . 15 1 1 A 53 53 SER C C 53 174.531 175.019 -0.488 1
1 609 . 15 1 1 A 53 53 SER CA C 53 58.140 62.228 -4.088 1
1 610 . 15 1 1 A 53 53 SER CB C 53 63.780 63.440 0.340 1
1 611 . 15 1 1 A 53 53 SER N N 53 117.625 114.128 3.497 1
1 612 . 15 1 1 A 54 54 LYS H H 54 8.409 8.004 0.405 1
1 613 . 15 1 1 A 54 54 LYS HA H 54 4.338 4.371 -0.033 1
1 618 . 15 1 1 A 54 54 LYS CA C 54 56.650 56.862 -0.212 1
1 619 . 15 1 1 A 54 54 LYS CB C 54 32.920 31.714 1.206 1
1 621 . 15 1 1 A 54 54 LYS N N 54 123.196 120.175 3.021 1
1 16 . 16 1 1 A 2 2 GLN H H 2 8.326 8.254 0.072 1
1 17 . 16 1 1 A 2 2 GLN HA H 2 4.252 4.196 0.056 1
1 18 . 16 1 1 A 2 2 GLN CA C 2 55.970 58.529 -2.559 1
1 19 . 16 1 1 A 2 2 GLN CB C 2 29.990 29.055 0.935 1
1 20 . 16 1 1 A 2 2 GLN N N 2 123.332 119.608 3.724 1
1 21 . 16 1 1 A 3 3 LYS HA H 3 4.229 4.571 -0.342 1
1 22 . 16 1 1 A 3 3 LYS C C 3 176.404 175.020 1.384 1
1 23 . 16 1 1 A 3 3 LYS CA C 3 56.570 54.964 1.606 1
1 24 . 16 1 1 A 3 3 LYS CB C 3 32.880 33.328 -0.448 1
1 25 . 16 1 1 A 4 4 ARG H H 4 8.303 8.754 -0.451 1
1 26 . 16 1 1 A 4 4 ARG HA H 4 4.237 4.531 -0.294 1
1 33 . 16 1 1 A 4 4 ARG C C 4 176.656 176.261 0.395 1
1 34 . 16 1 1 A 4 4 ARG CA C 4 56.420 55.535 0.885 1
1 35 . 16 1 1 A 4 4 ARG CB C 4 30.910 30.231 0.679 1
1 38 . 16 1 1 A 4 4 ARG N N 4 122.770 126.179 -3.409 1
1 39 . 16 1 1 A 5 5 GLU H H 5 8.472 8.903 -0.431 1
1 40 . 16 1 1 A 5 5 GLU HA H 5 4.201 4.146 0.055 1
1 45 . 16 1 1 A 5 5 GLU C C 5 176.137 176.357 -0.220 1
1 46 . 16 1 1 A 5 5 GLU CA C 5 56.650 58.776 -2.126 1
1 47 . 16 1 1 A 5 5 GLU CB C 5 30.400 29.367 1.033 1
1 49 . 16 1 1 A 5 5 GLU N N 5 121.724 127.009 -5.285 1
1 50 . 16 1 1 A 6 6 LEU H H 6 8.127 7.894 0.233 1
1 51 . 16 1 1 A 6 6 LEU HA H 6 4.200 4.018 0.182 1
1 61 . 16 1 1 A 6 6 LEU C C 6 176.782 176.287 0.495 1
1 62 . 16 1 1 A 6 6 LEU CA C 6 55.200 55.436 -0.236 1
1 63 . 16 1 1 A 6 6 LEU CB C 6 42.520 40.723 1.797 1
1 67 . 16 1 1 A 6 6 LEU N N 6 122.169 119.015 3.154 1
1 68 . 16 1 1 A 7 7 TYR H H 7 7.943 8.323 -0.380 1
1 69 . 16 1 1 A 7 7 TYR HA H 7 4.636 4.250 0.386 1
1 76 . 16 1 1 A 7 7 TYR C C 7 175.350 176.012 -0.662 1
1 77 . 16 1 1 A 7 7 TYR CA C 7 57.420 61.382 -3.962 1
1 78 . 16 1 1 A 7 7 TYR CB C 7 39.370 38.754 0.616 1
1 81 . 16 1 1 A 7 7 TYR N N 7 119.193 125.969 -6.776 1
1 82 . 16 1 1 A 8 8 GLU H H 8 8.314 7.985 0.329 1
1 83 . 16 1 1 A 8 8 GLU HA H 8 4.314 4.331 -0.017 1
1 88 . 16 1 1 A 8 8 GLU C C 8 175.665 175.233 0.432 1
1 89 . 16 1 1 A 8 8 GLU CA C 8 55.880 56.284 -0.404 1
1 90 . 16 1 1 A 8 8 GLU CB C 8 31.100 30.061 1.039 1
1 92 . 16 1 1 A 8 8 GLU N N 8 121.754 117.716 4.038 1
1 93 . 16 1 1 A 9 9 ILE H H 9 8.116 8.693 -0.577 1
1 94 . 16 1 1 A 9 9 ILE HA H 9 4.204 5.010 -0.806 1
1 104 . 16 1 1 A 9 9 ILE C C 9 176.058 174.588 1.470 1
1 105 . 16 1 1 A 9 9 ILE CA C 9 60.640 59.710 0.930 1
1 106 . 16 1 1 A 9 9 ILE CB C 9 38.440 40.588 -2.148 1
1 110 . 16 1 1 A 9 9 ILE N N 9 121.966 125.871 -3.905 1
1 111 . 16 1 1 A 10 10 ALA H H 10 8.472 8.510 -0.038 1
1 112 . 16 1 1 A 10 10 ALA HA H 10 4.342 4.746 -0.404 1
1 116 . 16 1 1 A 10 10 ALA C C 10 177.286 177.006 0.280 1
1 117 . 16 1 1 A 10 10 ALA CA C 10 52.450 51.162 1.288 1
1 118 . 16 1 1 A 10 10 ALA CB C 10 19.420 22.565 -3.145 1
1 119 . 16 1 1 A 10 10 ALA N N 10 128.558 127.218 1.340 1
1 120 . 16 1 1 A 11 11 ASP H H 11 8.423 8.926 -0.503 1
1 121 . 16 1 1 A 11 11 ASP HA H 11 4.423 4.415 0.008 1
1 124 . 16 1 1 A 11 11 ASP C C 11 176.798 176.041 0.757 1
1 125 . 16 1 1 A 11 11 ASP CA C 11 54.780 56.184 -1.404 1
1 126 . 16 1 1 A 11 11 ASP CB C 11 40.900 40.680 0.220 1
1 127 . 16 1 1 A 11 11 ASP N N 11 120.945 121.094 -0.149 1
1 128 . 16 1 1 A 12 12 GLY H H 12 8.263 7.639 0.624 1
1 129 . 16 1 1 A 12 12 GLY HA2 H 12 3.928 4.067 -0.139 1
1 130 . 16 1 1 A 12 12 GLY HA3 H 12 3.765 4.068 -0.303 1
1 131 . 16 1 1 A 12 12 GLY C C 12 174.326 173.861 0.465 1
1 132 . 16 1 1 A 12 12 GLY CA C 12 45.630 46.021 -0.391 1
1 133 . 16 1 1 A 12 12 GLY N N 12 107.572 107.274 0.298 1
1 134 . 16 1 1 A 13 13 LYS H H 13 7.974 8.464 -0.490 1
1 135 . 16 1 1 A 13 13 LYS HA H 13 4.286 3.804 0.482 1
1 144 . 16 1 1 A 13 13 LYS C C 13 176.105 175.716 0.389 1
1 145 . 16 1 1 A 13 13 LYS CA C 13 55.970 57.117 -1.147 1
1 146 . 16 1 1 A 13 13 LYS CB C 13 33.000 29.434 3.566 1
1 150 . 16 1 1 A 13 13 LYS N N 13 120.339 118.738 1.601 1
1 151 . 16 1 1 A 14 14 LEU H H 14 8.103 7.934 0.169 1
1 152 . 16 1 1 A 14 14 LEU HA H 14 4.355 4.224 0.131 1
1 162 . 16 1 1 A 14 14 LEU C C 14 177.050 176.339 0.711 1
1 163 . 16 1 1 A 14 14 LEU CA C 14 54.990 55.168 -0.178 1
1 164 . 16 1 1 A 14 14 LEU CB C 14 42.180 42.067 0.113 1
1 168 . 16 1 1 A 14 14 LEU N N 14 122.169 120.565 1.604 1
1 169 . 16 1 1 A 15 15 VAL H H 15 8.236 8.241 -0.005 1
1 170 . 16 1 1 A 15 15 VAL HA H 15 4.090 4.054 0.036 1
1 178 . 16 1 1 A 15 15 VAL C C 15 175.680 174.884 0.796 1
1 179 . 16 1 1 A 15 15 VAL CA C 15 62.000 62.000 0.000 1
1 180 . 16 1 1 A 15 15 VAL CB C 15 33.050 30.815 2.235 1
1 182 . 16 1 1 A 15 15 VAL N N 15 122.264 122.511 -0.247 1
1 183 . 16 1 1 A 16 16 ARG H H 16 8.293 8.343 -0.050 1
1 184 . 16 1 1 A 16 16 ARG HA H 16 4.187 4.075 0.112 1
1 191 . 16 1 1 A 16 16 ARG C C 16 175.822 176.183 -0.361 1
1 192 . 16 1 1 A 16 16 ARG CA C 16 55.820 57.719 -1.899 1
1 193 . 16 1 1 A 16 16 ARG CB C 16 30.820 30.033 0.787 1
1 196 . 16 1 1 A 16 16 ARG N N 16 124.903 128.935 -4.032 1
1 197 . 16 1 1 A 17 17 LYS H H 17 8.239 8.725 -0.486 1
1 198 . 16 1 1 A 17 17 LYS HA H 17 4.130 3.988 0.142 1
1 207 . 16 1 1 A 17 17 LYS C C 17 175.995 175.385 0.610 1
1 208 . 16 1 1 A 17 17 LYS CA C 17 56.270 56.989 -0.719 1
1 209 . 16 1 1 A 17 17 LYS CB C 17 33.130 31.064 2.066 1
1 213 . 16 1 1 A 17 17 LYS N N 17 123.108 125.635 -2.527 1
1 214 . 16 1 1 A 18 18 HIS H H 18 8.067 8.357 -0.290 1
1 215 . 16 1 1 A 18 18 HIS HA H 18 4.572 4.592 -0.020 1
1 218 . 16 1 1 A 18 18 HIS C C 18 174.736 175.313 -0.577 1
1 219 . 16 1 1 A 18 18 HIS CA C 18 55.460 56.458 -0.998 1
1 220 . 16 1 1 A 18 18 HIS CB C 18 31.390 30.097 1.293 1
1 221 . 16 1 1 A 18 18 HIS N N 18 120.275 123.748 -3.473 1
1 222 . 16 1 1 A 19 19 ARG H H 19 8.767 8.391 0.376 1
1 223 . 16 1 1 A 19 19 ARG HA H 19 4.254 4.279 -0.025 1
1 230 . 16 1 1 A 19 19 ARG C C 19 175.790 176.248 -0.458 1
1 231 . 16 1 1 A 19 19 ARG CA C 19 55.480 56.614 -1.134 1
1 232 . 16 1 1 A 19 19 ARG CB C 19 32.050 30.640 1.410 1
1 235 . 16 1 1 A 19 19 ARG N N 19 122.186 122.230 -0.044 1
1 236 . 16 1 1 A 20 20 PHE H H 20 7.866 8.997 -1.131 1
1 237 . 16 1 1 A 20 20 PHE HA H 20 5.296 4.965 0.331 1
1 245 . 16 1 1 A 20 20 PHE C C 20 174.673 175.476 -0.803 1
1 246 . 16 1 1 A 20 20 PHE CA C 20 54.520 57.691 -3.171 1
1 247 . 16 1 1 A 20 20 PHE CB C 20 40.050 41.719 -1.669 1
1 251 . 16 1 1 A 20 20 PHE N N 20 120.369 121.675 -1.306 1
1 252 . 16 1 1 A 21 21 CYS H H 21 8.557 8.665 -0.108 1
1 253 . 16 1 1 A 21 21 CYS HA H 21 4.062 4.572 -0.510 1
1 256 . 16 1 1 A 21 21 CYS CA C 21 56.880 56.007 0.873 1
1 257 . 16 1 1 A 21 21 CYS CB C 21 30.710 29.001 1.709 1
1 258 . 16 1 1 A 21 21 CYS N N 21 123.994 120.620 3.374 1
1 259 . 16 1 1 A 22 22 PRO HA H 22 4.211 4.272 -0.061 1
1 266 . 16 1 1 A 22 22 PRO C C 22 177.475 177.330 0.145 1
1 267 . 16 1 1 A 22 22 PRO CA C 22 64.260 64.604 -0.344 1
1 268 . 16 1 1 A 22 22 PRO CB C 22 31.730 31.807 -0.077 1
1 271 . 16 1 1 A 23 23 ARG H H 23 8.569 8.110 0.459 1
1 272 . 16 1 1 A 23 23 ARG HA H 23 4.223 4.350 -0.127 1
1 279 . 16 1 1 A 23 23 ARG C C 23 178.246 177.696 0.550 1
1 280 . 16 1 1 A 23 23 ARG CA C 23 58.030 58.019 0.011 1
1 281 . 16 1 1 A 23 23 ARG CB C 23 31.240 31.480 -0.240 1
1 284 . 16 1 1 A 23 23 ARG N N 23 121.075 117.164 3.911 1
1 285 . 16 1 1 A 24 24 CYS H H 24 9.550 8.195 1.355 1
1 286 . 16 1 1 A 24 24 CYS HA H 24 3.872 4.519 -0.647 1
1 289 . 16 1 1 A 24 24 CYS C C 24 177.302 176.075 1.227 1
1 290 . 16 1 1 A 24 24 CYS CA C 24 63.060 60.259 2.801 1
1 291 . 16 1 1 A 24 24 CYS CB C 24 30.120 26.872 3.248 1
1 292 . 16 1 1 A 24 24 CYS N N 24 123.692 117.557 6.135 1
1 293 . 16 1 1 A 25 25 GLY H H 25 8.166 8.239 -0.073 1
1 294 . 16 1 1 A 25 25 GLY HA2 H 25 4.142 3.783 0.359 1
1 295 . 16 1 1 A 25 25 GLY HA3 H 25 3.623 3.905 -0.282 1
1 296 . 16 1 1 A 25 25 GLY CA C 25 44.640 48.032 -3.392 1
1 297 . 16 1 1 A 25 25 GLY N N 25 107.593 109.728 -2.135 1
1 298 . 16 1 1 A 26 26 PRO HA H 26 2.807 4.197 -1.390 1
1 305 . 16 1 1 A 26 26 PRO C C 26 176.940 177.580 -0.640 1
1 306 . 16 1 1 A 26 26 PRO CA C 26 63.060 63.773 -0.713 1
1 307 . 16 1 1 A 26 26 PRO CB C 26 31.650 31.203 0.447 1
1 310 . 16 1 1 A 27 27 GLY H H 27 6.847 8.473 -1.626 1
1 311 . 16 1 1 A 27 27 GLY HA2 H 27 3.800 3.916 -0.116 1
1 312 . 16 1 1 A 27 27 GLY HA3 H 27 3.334 3.939 -0.605 1
1 313 . 16 1 1 A 27 27 GLY C C 27 172.705 173.627 -0.922 1
1 314 . 16 1 1 A 27 27 GLY CA C 27 44.400 45.301 -0.901 1
1 315 . 16 1 1 A 27 27 GLY N N 27 108.726 112.805 -4.079 1
1 316 . 16 1 1 A 28 28 VAL H H 28 7.416 7.728 -0.312 1
1 317 . 16 1 1 A 28 28 VAL HA H 28 3.964 4.411 -0.447 1
1 325 . 16 1 1 A 28 28 VAL C C 28 174.626 175.587 -0.961 1
1 326 . 16 1 1 A 28 28 VAL CA C 28 62.040 61.568 0.472 1
1 327 . 16 1 1 A 28 28 VAL CB C 28 32.080 33.588 -1.508 1
1 330 . 16 1 1 A 28 28 VAL N N 28 123.159 122.017 1.142 1
1 331 . 16 1 1 A 29 29 PHE H H 29 8.484 9.168 -0.684 1
1 332 . 16 1 1 A 29 29 PHE HA H 29 4.905 4.994 -0.089 1
1 340 . 16 1 1 A 29 29 PHE C C 29 177.349 174.906 2.443 1
1 341 . 16 1 1 A 29 29 PHE CA C 29 57.800 56.780 1.020 1
1 342 . 16 1 1 A 29 29 PHE CB C 29 40.050 41.090 -1.040 1
1 346 . 16 1 1 A 29 29 PHE N N 29 124.513 126.363 -1.850 1
1 347 . 16 1 1 A 30 30 LEU H H 30 8.615 8.260 0.355 1
1 348 . 16 1 1 A 30 30 LEU HA H 30 4.425 4.946 -0.521 1
1 358 . 16 1 1 A 30 30 LEU C C 30 176.877 175.607 1.270 1
1 359 . 16 1 1 A 30 30 LEU CA C 30 54.180 53.860 0.320 1
1 360 . 16 1 1 A 30 30 LEU CB C 30 42.470 44.199 -1.729 1
1 364 . 16 1 1 A 30 30 LEU N N 30 120.729 122.051 -1.322 1
1 365 . 16 1 1 A 31 31 ALA H H 31 9.109 8.425 0.684 1
1 366 . 16 1 1 A 31 31 ALA HA H 31 4.502 4.473 0.029 1
1 370 . 16 1 1 A 31 31 ALA C C 31 176.231 176.790 -0.559 1
1 371 . 16 1 1 A 31 31 ALA CA C 31 51.170 52.524 -1.354 1
1 372 . 16 1 1 A 31 31 ALA CB C 31 20.140 19.051 1.089 1
1 373 . 16 1 1 A 31 31 ALA N N 31 126.827 129.968 -3.141 1
1 374 . 16 1 1 A 32 32 GLU H H 32 8.580 8.898 -0.318 1
1 375 . 16 1 1 A 32 32 GLU HA H 32 4.172 4.753 -0.581 1
1 380 . 16 1 1 A 32 32 GLU C C 32 174.736 175.093 -0.357 1
1 381 . 16 1 1 A 32 32 GLU CA C 32 56.140 55.659 0.481 1
1 382 . 16 1 1 A 32 32 GLU CB C 32 30.540 30.599 -0.059 1
1 384 . 16 1 1 A 32 32 GLU N N 32 122.632 125.963 -3.331 1
1 385 . 16 1 1 A 33 33 HIS H H 33 8.596 8.995 -0.399 1
1 386 . 16 1 1 A 33 33 HIS HA H 33 4.816 4.839 -0.023 1
1 390 . 16 1 1 A 33 33 HIS CA C 33 53.900 54.929 -1.029 1
1 391 . 16 1 1 A 33 33 HIS CB C 33 33.160 33.555 -0.395 1
1 393 . 16 1 1 A 33 33 HIS N N 33 126.719 123.902 2.817 1
1 394 . 16 1 1 A 34 34 ALA HA H 34 4.011 3.930 0.081 1
1 398 . 16 1 1 A 34 34 ALA C C 34 178.514 178.736 -0.222 1
1 399 . 16 1 1 A 34 34 ALA CA C 34 55.850 54.861 0.989 1
1 400 . 16 1 1 A 34 34 ALA CB C 34 18.060 18.526 -0.466 1
1 401 . 16 1 1 A 35 35 ASP H H 35 8.241 7.965 0.276 1
1 402 . 16 1 1 A 35 35 ASP HA H 35 4.737 4.622 0.115 1
1 405 . 16 1 1 A 35 35 ASP C C 35 177.003 176.285 0.718 1
1 406 . 16 1 1 A 35 35 ASP CA C 35 53.040 56.320 -3.280 1
1 407 . 16 1 1 A 35 35 ASP CB C 35 41.840 42.246 -0.406 1
1 408 . 16 1 1 A 35 35 ASP N N 35 108.393 115.764 -7.371 1
1 409 . 16 1 1 A 36 36 ARG H H 36 7.175 7.612 -0.437 1
1 410 . 16 1 1 A 36 36 ARG HA H 36 4.940 4.556 0.384 1
1 417 . 16 1 1 A 36 36 ARG C C 36 171.430 173.310 -1.880 1
1 418 . 16 1 1 A 36 36 ARG CA C 36 54.670 54.879 -0.209 1
1 419 . 16 1 1 A 36 36 ARG CB C 36 31.550 32.370 -0.820 1
1 422 . 16 1 1 A 36 36 ARG N N 36 116.403 113.385 3.018 1
1 423 . 16 1 1 A 37 37 TYR H H 37 9.025 9.217 -0.192 1
1 424 . 16 1 1 A 37 37 TYR HA H 37 5.546 5.458 0.088 1
1 431 . 16 1 1 A 37 37 TYR C C 37 176.027 175.141 0.886 1
1 432 . 16 1 1 A 37 37 TYR CA C 37 56.400 57.018 -0.618 1
1 433 . 16 1 1 A 37 37 TYR CB C 37 41.830 40.716 1.114 1
1 436 . 16 1 1 A 37 37 TYR N N 37 118.099 119.016 -0.917 1
1 437 . 16 1 1 A 38 38 SER H H 38 9.208 9.222 -0.014 1
1 438 . 16 1 1 A 38 38 SER HA H 38 5.675 5.223 0.452 1
1 441 . 16 1 1 A 38 38 SER C C 38 172.862 172.259 0.603 1
1 442 . 16 1 1 A 38 38 SER CA C 38 57.200 56.570 0.630 1
1 443 . 16 1 1 A 38 38 SER CB C 38 67.430 66.057 1.373 1
1 444 . 16 1 1 A 38 38 SER N N 38 114.608 116.101 -1.493 1
1 445 . 16 1 1 A 39 39 CYS H H 39 9.403 8.700 0.703 1
1 446 . 16 1 1 A 39 39 CYS HA H 39 4.781 5.024 -0.243 1
1 449 . 16 1 1 A 39 39 CYS C C 39 177.931 174.236 3.695 1
1 450 . 16 1 1 A 39 39 CYS CA C 39 58.680 57.753 0.927 1
1 451 . 16 1 1 A 39 39 CYS CB C 39 32.710 31.247 1.463 1
1 452 . 16 1 1 A 39 39 CYS N N 39 127.346 121.924 5.422 1
1 453 . 16 1 1 A 40 40 GLY H H 40 9.147 8.623 0.524 1
1 454 . 16 1 1 A 40 40 GLY HA2 H 40 4.053 4.030 0.023 1
1 455 . 16 1 1 A 40 40 GLY HA3 H 40 3.875 4.044 -0.169 1
1 456 . 16 1 1 A 40 40 GLY C C 40 173.602 174.994 -1.392 1
1 457 . 16 1 1 A 40 40 GLY CA C 40 46.270 44.465 1.805 1
1 458 . 16 1 1 A 40 40 GLY N N 40 119.366 114.246 5.120 1
1 459 . 16 1 1 A 41 41 ARG H H 41 9.279 8.838 0.441 1
1 460 . 16 1 1 A 41 41 ARG HA H 41 4.362 3.899 0.463 1
1 467 . 16 1 1 A 41 41 ARG C C 41 177.601 175.961 1.640 1
1 468 . 16 1 1 A 41 41 ARG CA C 41 58.200 58.476 -0.276 1
1 469 . 16 1 1 A 41 41 ARG CB C 41 30.980 27.997 2.983 1
1 472 . 16 1 1 A 41 41 ARG N N 41 123.467 116.923 6.544 1
1 473 . 16 1 1 A 42 42 CYS H H 42 8.759 8.381 0.378 1
1 474 . 16 1 1 A 42 42 CYS HA H 42 4.944 4.629 0.315 1
1 477 . 16 1 1 A 42 42 CYS C C 42 177.160 176.108 1.052 1
1 478 . 16 1 1 A 42 42 CYS CA C 42 58.390 58.468 -0.078 1
1 479 . 16 1 1 A 42 42 CYS CB C 42 33.600 30.000 3.600 1
1 480 . 16 1 1 A 42 42 CYS N N 42 118.328 113.954 4.374 1
1 481 . 16 1 1 A 43 43 GLY H H 43 7.686 8.097 -0.411 1
1 482 . 16 1 1 A 43 43 GLY HA2 H 43 4.251 3.899 0.352 1
1 483 . 16 1 1 A 43 43 GLY HA3 H 43 3.782 3.902 -0.120 1
1 484 . 16 1 1 A 43 43 GLY C C 43 174.122 174.163 -0.041 1
1 485 . 16 1 1 A 43 43 GLY CA C 43 46.100 46.032 0.068 1
1 486 . 16 1 1 A 43 43 GLY N N 43 112.843 110.424 2.419 1
1 487 . 16 1 1 A 44 44 TYR H H 44 9.285 7.710 1.575 1
1 488 . 16 1 1 A 44 44 TYR HA H 44 4.109 4.412 -0.303 1
1 495 . 16 1 1 A 44 44 TYR C C 44 174.248 175.014 -0.766 1
1 496 . 16 1 1 A 44 44 TYR CA C 44 60.680 57.955 2.725 1
1 497 . 16 1 1 A 44 44 TYR CB C 44 39.840 38.684 1.156 1
1 500 . 16 1 1 A 44 44 TYR N N 44 127.411 121.647 5.764 1
1 501 . 16 1 1 A 45 45 THR H H 45 7.572 8.617 -1.045 1
1 502 . 16 1 1 A 45 45 THR HA H 45 4.763 5.080 -0.317 1
1 507 . 16 1 1 A 45 45 THR C C 45 171.635 172.721 -1.086 1
1 508 . 16 1 1 A 45 45 THR CA C 45 60.820 60.841 -0.021 1
1 509 . 16 1 1 A 45 45 THR CB C 45 72.660 71.274 1.386 1
1 511 . 16 1 1 A 45 45 THR N N 45 122.481 124.435 -1.954 1
1 512 . 16 1 1 A 46 46 GLU H H 46 8.456 8.826 -0.370 1
1 513 . 16 1 1 A 46 46 GLU HA H 46 4.430 4.776 -0.346 1
1 518 . 16 1 1 A 46 46 GLU C C 46 175.240 175.563 -0.323 1
1 519 . 16 1 1 A 46 46 GLU CA C 46 54.100 54.853 -0.753 1
1 520 . 16 1 1 A 46 46 GLU CB C 46 33.180 33.591 -0.411 1
1 522 . 16 1 1 A 46 46 GLU N N 46 124.924 126.836 -1.912 1
1 523 . 16 1 1 A 47 47 PHE H H 47 9.084 8.805 0.279 1
1 524 . 16 1 1 A 47 47 PHE HA H 47 4.417 4.557 -0.140 1
1 529 . 16 1 1 A 47 47 PHE C C 47 176.987 175.910 1.077 1
1 530 . 16 1 1 A 47 47 PHE CA C 47 59.920 58.526 1.394 1
1 531 . 16 1 1 A 47 47 PHE CB C 47 39.420 39.451 -0.031 1
1 533 . 16 1 1 A 47 47 PHE N N 47 125.357 125.387 -0.030 1
1 534 . 16 1 1 A 48 48 LYS H H 48 8.082 8.528 -0.446 1
1 535 . 16 1 1 A 48 48 LYS HA H 48 4.233 4.393 -0.160 1
1 544 . 16 1 1 A 48 48 LYS C C 48 176.278 176.770 -0.492 1
1 545 . 16 1 1 A 48 48 LYS CA C 48 57.670 56.099 1.571 1
1 546 . 16 1 1 A 48 48 LYS CB C 48 33.900 31.371 2.529 1
1 550 . 16 1 1 A 48 48 LYS N N 48 122.654 121.673 0.981 1
1 551 . 16 1 1 A 49 49 LYS H H 49 8.475 8.567 -0.092 1
1 552 . 16 1 1 A 49 49 LYS HA H 49 4.299 3.920 0.379 1
1 561 . 16 1 1 A 49 49 LYS C C 49 175.979 176.181 -0.202 1
1 562 . 16 1 1 A 49 49 LYS CA C 49 56.100 59.094 -2.994 1
1 563 . 16 1 1 A 49 49 LYS CB C 49 33.090 32.855 0.235 1
1 567 . 16 1 1 A 49 49 LYS N N 49 121.521 126.807 -5.286 1
1 568 . 16 1 1 A 50 50 ALA H H 50 8.250 8.049 0.201 1
1 569 . 16 1 1 A 50 50 ALA HA H 50 4.264 4.184 0.080 1
1 573 . 16 1 1 A 50 50 ALA C C 50 177.617 176.524 1.093 1
1 574 . 16 1 1 A 50 50 ALA CA C 50 52.490 54.397 -1.907 1
1 575 . 16 1 1 A 50 50 ALA CB C 50 19.420 17.874 1.546 1
1 576 . 16 1 1 A 50 50 ALA N N 50 125.681 121.529 4.152 1
1 577 . 16 1 1 A 51 51 LYS H H 51 8.279 8.450 -0.171 1
1 578 . 16 1 1 A 51 51 LYS HA H 51 4.296 4.656 -0.360 1
1 585 . 16 1 1 A 51 51 LYS C C 51 176.562 175.666 0.896 1
1 586 . 16 1 1 A 51 51 LYS CA C 51 56.300 54.968 1.332 1
1 587 . 16 1 1 A 51 51 LYS CB C 51 33.090 34.101 -1.011 1
1 591 . 16 1 1 A 51 51 LYS N N 51 121.304 120.835 0.469 1
1 592 . 16 1 1 A 52 52 LYS H H 52 8.312 8.873 -0.561 1
1 593 . 16 1 1 A 52 52 LYS HA H 52 4.298 3.756 0.542 1
1 598 . 16 1 1 A 52 52 LYS C C 52 176.530 175.251 1.279 1
1 599 . 16 1 1 A 52 52 LYS CA C 52 56.140 57.086 -0.946 1
1 600 . 16 1 1 A 52 52 LYS CB C 52 33.180 29.688 3.492 1
1 603 . 16 1 1 A 52 52 LYS N N 52 123.129 124.509 -1.380 1
1 604 . 16 1 1 A 53 53 SER H H 53 8.309 7.905 0.404 1
1 605 . 16 1 1 A 53 53 SER HA H 53 4.399 4.248 0.151 1
1 608 . 16 1 1 A 53 53 SER C C 53 174.531 175.092 -0.561 1
1 609 . 16 1 1 A 53 53 SER CA C 53 58.140 59.541 -1.401 1
1 610 . 16 1 1 A 53 53 SER CB C 53 63.780 62.742 1.038 1
1 611 . 16 1 1 A 53 53 SER N N 53 117.625 113.969 3.656 1
1 612 . 16 1 1 A 54 54 LYS H H 54 8.409 8.932 -0.523 1
1 613 . 16 1 1 A 54 54 LYS HA H 54 4.338 3.936 0.402 1
1 618 . 16 1 1 A 54 54 LYS CA C 54 56.650 57.122 -0.472 1
1 619 . 16 1 1 A 54 54 LYS CB C 54 32.920 30.898 2.022 1
1 621 . 16 1 1 A 54 54 LYS N N 54 123.196 127.529 -4.333 1
1 16 . 17 1 1 A 2 2 GLN H H 2 8.326 8.335 -0.009 1
1 17 . 17 1 1 A 2 2 GLN HA H 2 4.252 4.188 0.064 1
1 18 . 17 1 1 A 2 2 GLN CA C 2 55.970 56.154 -0.184 1
1 19 . 17 1 1 A 2 2 GLN CB C 2 29.990 28.975 1.015 1
1 20 . 17 1 1 A 2 2 GLN N N 2 123.332 120.775 2.557 1
1 21 . 17 1 1 A 3 3 LYS HA H 3 4.229 4.410 -0.181 1
1 22 . 17 1 1 A 3 3 LYS C C 3 176.404 175.382 1.022 1
1 23 . 17 1 1 A 3 3 LYS CA C 3 56.570 56.066 0.504 1
1 24 . 17 1 1 A 3 3 LYS CB C 3 32.880 32.100 0.780 1
1 25 . 17 1 1 A 4 4 ARG H H 4 8.303 8.416 -0.113 1
1 26 . 17 1 1 A 4 4 ARG HA H 4 4.237 4.542 -0.305 1
1 33 . 17 1 1 A 4 4 ARG C C 4 176.656 175.990 0.666 1
1 34 . 17 1 1 A 4 4 ARG CA C 4 56.420 55.980 0.440 1
1 35 . 17 1 1 A 4 4 ARG CB C 4 30.910 30.542 0.368 1
1 38 . 17 1 1 A 4 4 ARG N N 4 122.770 124.759 -1.989 1
1 39 . 17 1 1 A 5 5 GLU H H 5 8.472 8.796 -0.324 1
1 40 . 17 1 1 A 5 5 GLU HA H 5 4.201 4.389 -0.188 1
1 45 . 17 1 1 A 5 5 GLU C C 5 176.137 176.051 0.086 1
1 46 . 17 1 1 A 5 5 GLU CA C 5 56.650 56.269 0.381 1
1 47 . 17 1 1 A 5 5 GLU CB C 5 30.400 28.700 1.700 1
1 49 . 17 1 1 A 5 5 GLU N N 5 121.724 123.436 -1.712 1
1 50 . 17 1 1 A 6 6 LEU H H 6 8.127 7.810 0.317 1
1 51 . 17 1 1 A 6 6 LEU HA H 6 4.200 4.382 -0.182 1
1 61 . 17 1 1 A 6 6 LEU C C 6 176.782 177.112 -0.330 1
1 62 . 17 1 1 A 6 6 LEU CA C 6 55.200 56.605 -1.405 1
1 63 . 17 1 1 A 6 6 LEU CB C 6 42.520 41.009 1.511 1
1 67 . 17 1 1 A 6 6 LEU N N 6 122.169 116.564 5.605 1
1 68 . 17 1 1 A 7 7 TYR H H 7 7.943 8.868 -0.925 1
1 69 . 17 1 1 A 7 7 TYR HA H 7 4.636 4.393 0.243 1
1 76 . 17 1 1 A 7 7 TYR C C 7 175.350 176.453 -1.103 1
1 77 . 17 1 1 A 7 7 TYR CA C 7 57.420 61.046 -3.626 1
1 78 . 17 1 1 A 7 7 TYR CB C 7 39.370 38.038 1.332 1
1 81 . 17 1 1 A 7 7 TYR N N 7 119.193 122.678 -3.485 1
1 82 . 17 1 1 A 8 8 GLU H H 8 8.314 7.925 0.389 1
1 83 . 17 1 1 A 8 8 GLU HA H 8 4.314 4.484 -0.170 1
1 88 . 17 1 1 A 8 8 GLU C C 8 175.665 175.736 -0.071 1
1 89 . 17 1 1 A 8 8 GLU CA C 8 55.880 55.618 0.262 1
1 90 . 17 1 1 A 8 8 GLU CB C 8 31.100 29.280 1.820 1
1 92 . 17 1 1 A 8 8 GLU N N 8 121.754 118.280 3.474 1
1 93 . 17 1 1 A 9 9 ILE H H 9 8.116 8.378 -0.262 1
1 94 . 17 1 1 A 9 9 ILE HA H 9 4.204 4.459 -0.255 1
1 104 . 17 1 1 A 9 9 ILE C C 9 176.058 175.751 0.307 1
1 105 . 17 1 1 A 9 9 ILE CA C 9 60.640 60.202 0.438 1
1 106 . 17 1 1 A 9 9 ILE CB C 9 38.440 39.224 -0.784 1
1 110 . 17 1 1 A 9 9 ILE N N 9 121.966 121.385 0.581 1
1 111 . 17 1 1 A 10 10 ALA H H 10 8.472 9.240 -0.768 1
1 112 . 17 1 1 A 10 10 ALA HA H 10 4.342 3.918 0.424 1
1 116 . 17 1 1 A 10 10 ALA C C 10 177.286 176.779 0.507 1
1 117 . 17 1 1 A 10 10 ALA CA C 10 52.450 54.234 -1.784 1
1 118 . 17 1 1 A 10 10 ALA CB C 10 19.420 18.122 1.298 1
1 119 . 17 1 1 A 10 10 ALA N N 10 128.558 125.039 3.519 1
1 120 . 17 1 1 A 11 11 ASP H H 11 8.423 9.000 -0.577 1
1 121 . 17 1 1 A 11 11 ASP HA H 11 4.423 4.239 0.184 1
1 124 . 17 1 1 A 11 11 ASP C C 11 176.798 175.551 1.247 1
1 125 . 17 1 1 A 11 11 ASP CA C 11 54.780 54.781 -0.001 1
1 126 . 17 1 1 A 11 11 ASP CB C 11 40.900 39.457 1.443 1
1 127 . 17 1 1 A 11 11 ASP N N 11 120.945 119.457 1.488 1
1 128 . 17 1 1 A 12 12 GLY H H 12 8.263 8.471 -0.208 1
1 129 . 17 1 1 A 12 12 GLY HA2 H 12 3.928 4.091 -0.163 1
1 130 . 17 1 1 A 12 12 GLY HA3 H 12 3.765 4.093 -0.328 1
1 131 . 17 1 1 A 12 12 GLY C C 12 174.326 173.005 1.321 1
1 132 . 17 1 1 A 12 12 GLY CA C 12 45.630 44.392 1.238 1
1 133 . 17 1 1 A 12 12 GLY N N 12 107.572 113.280 -5.708 1
1 134 . 17 1 1 A 13 13 LYS H H 13 7.974 8.663 -0.689 1
1 135 . 17 1 1 A 13 13 LYS HA H 13 4.286 4.458 -0.172 1
1 144 . 17 1 1 A 13 13 LYS C C 13 176.105 177.169 -1.064 1
1 145 . 17 1 1 A 13 13 LYS CA C 13 55.970 55.141 0.829 1
1 146 . 17 1 1 A 13 13 LYS CB C 13 33.000 30.640 2.360 1
1 150 . 17 1 1 A 13 13 LYS N N 13 120.339 119.882 0.457 1
1 151 . 17 1 1 A 14 14 LEU H H 14 8.103 7.776 0.327 1
1 152 . 17 1 1 A 14 14 LEU HA H 14 4.355 4.248 0.107 1
1 162 . 17 1 1 A 14 14 LEU C C 14 177.050 178.298 -1.248 1
1 163 . 17 1 1 A 14 14 LEU CA C 14 54.990 55.586 -0.596 1
1 164 . 17 1 1 A 14 14 LEU CB C 14 42.180 41.118 1.062 1
1 168 . 17 1 1 A 14 14 LEU N N 14 122.169 120.914 1.255 1
1 169 . 17 1 1 A 15 15 VAL H H 15 8.236 7.632 0.604 1
1 170 . 17 1 1 A 15 15 VAL HA H 15 4.090 3.677 0.413 1
1 178 . 17 1 1 A 15 15 VAL C C 15 175.680 176.498 -0.818 1
1 179 . 17 1 1 A 15 15 VAL CA C 15 62.000 66.724 -4.724 1
1 180 . 17 1 1 A 15 15 VAL CB C 15 33.050 31.944 1.106 1
1 182 . 17 1 1 A 15 15 VAL N N 15 122.264 119.919 2.345 1
1 183 . 17 1 1 A 16 16 ARG H H 16 8.293 7.708 0.585 1
1 184 . 17 1 1 A 16 16 ARG HA H 16 4.187 4.824 -0.637 1
1 191 . 17 1 1 A 16 16 ARG C C 16 175.822 174.533 1.289 1
1 192 . 17 1 1 A 16 16 ARG CA C 16 55.820 54.764 1.056 1
1 193 . 17 1 1 A 16 16 ARG CB C 16 30.820 31.988 -1.168 1
1 196 . 17 1 1 A 16 16 ARG N N 16 124.903 121.204 3.699 1
1 197 . 17 1 1 A 17 17 LYS H H 17 8.239 8.783 -0.544 1
1 198 . 17 1 1 A 17 17 LYS HA H 17 4.130 4.701 -0.571 1
1 207 . 17 1 1 A 17 17 LYS C C 17 175.995 175.235 0.760 1
1 208 . 17 1 1 A 17 17 LYS CA C 17 56.270 55.165 1.105 1
1 209 . 17 1 1 A 17 17 LYS CB C 17 33.130 34.773 -1.643 1
1 213 . 17 1 1 A 17 17 LYS N N 17 123.108 127.345 -4.237 1
1 214 . 17 1 1 A 18 18 HIS H H 18 8.067 8.255 -0.188 1
1 215 . 17 1 1 A 18 18 HIS HA H 18 4.572 5.029 -0.457 1
1 218 . 17 1 1 A 18 18 HIS C C 18 174.736 171.736 3.000 1
1 219 . 17 1 1 A 18 18 HIS CA C 18 55.460 54.657 0.803 1
1 220 . 17 1 1 A 18 18 HIS CB C 18 31.390 30.877 0.513 1
1 221 . 17 1 1 A 18 18 HIS N N 18 120.275 116.440 3.835 1
1 222 . 17 1 1 A 19 19 ARG H H 19 8.767 8.474 0.293 1
1 223 . 17 1 1 A 19 19 ARG HA H 19 4.254 4.077 0.177 1
1 230 . 17 1 1 A 19 19 ARG C C 19 175.790 176.243 -0.453 1
1 231 . 17 1 1 A 19 19 ARG CA C 19 55.480 56.609 -1.129 1
1 232 . 17 1 1 A 19 19 ARG CB C 19 32.050 30.686 1.364 1
1 235 . 17 1 1 A 19 19 ARG N N 19 122.186 121.062 1.124 1
1 236 . 17 1 1 A 20 20 PHE H H 20 7.866 8.684 -0.818 1
1 237 . 17 1 1 A 20 20 PHE HA H 20 5.296 4.852 0.444 1
1 245 . 17 1 1 A 20 20 PHE C C 20 174.673 175.661 -0.988 1
1 246 . 17 1 1 A 20 20 PHE CA C 20 54.520 58.201 -3.681 1
1 247 . 17 1 1 A 20 20 PHE CB C 20 40.050 40.035 0.015 1
1 251 . 17 1 1 A 20 20 PHE N N 20 120.369 125.323 -4.954 1
1 252 . 17 1 1 A 21 21 CYS H H 21 8.557 8.472 0.085 1
1 253 . 17 1 1 A 21 21 CYS HA H 21 4.062 4.321 -0.259 1
1 256 . 17 1 1 A 21 21 CYS CA C 21 56.880 57.120 -0.240 1
1 257 . 17 1 1 A 21 21 CYS CB C 21 30.710 28.318 2.392 1
1 258 . 17 1 1 A 21 21 CYS N N 21 123.994 119.886 4.108 1
1 259 . 17 1 1 A 22 22 PRO HA H 22 4.211 4.258 -0.047 1
1 266 . 17 1 1 A 22 22 PRO C C 22 177.475 178.596 -1.121 1
1 267 . 17 1 1 A 22 22 PRO CA C 22 64.260 65.448 -1.188 1
1 268 . 17 1 1 A 22 22 PRO CB C 22 31.730 31.763 -0.033 1
1 271 . 17 1 1 A 23 23 ARG H H 23 8.569 8.076 0.493 1
1 272 . 17 1 1 A 23 23 ARG HA H 23 4.223 4.109 0.114 1
1 279 . 17 1 1 A 23 23 ARG C C 23 178.246 178.001 0.245 1
1 280 . 17 1 1 A 23 23 ARG CA C 23 58.030 58.637 -0.607 1
1 281 . 17 1 1 A 23 23 ARG CB C 23 31.240 30.915 0.325 1
1 284 . 17 1 1 A 23 23 ARG N N 23 121.075 117.715 3.360 1
1 285 . 17 1 1 A 24 24 CYS H H 24 9.550 8.224 1.326 1
1 286 . 17 1 1 A 24 24 CYS HA H 24 3.872 4.448 -0.576 1
1 289 . 17 1 1 A 24 24 CYS C C 24 177.302 176.105 1.197 1
1 290 . 17 1 1 A 24 24 CYS CA C 24 63.060 60.422 2.638 1
1 291 . 17 1 1 A 24 24 CYS CB C 24 30.120 26.895 3.225 1
1 292 . 17 1 1 A 24 24 CYS N N 24 123.692 117.558 6.134 1
1 293 . 17 1 1 A 25 25 GLY H H 25 8.166 8.362 -0.196 1
1 294 . 17 1 1 A 25 25 GLY HA2 H 25 4.142 3.807 0.335 1
1 295 . 17 1 1 A 25 25 GLY HA3 H 25 3.623 3.819 -0.196 1
1 296 . 17 1 1 A 25 25 GLY CA C 25 44.640 48.045 -3.405 1
1 297 . 17 1 1 A 25 25 GLY N N 25 107.593 109.595 -2.002 1
1 298 . 17 1 1 A 26 26 PRO HA H 26 2.807 4.159 -1.352 1
1 305 . 17 1 1 A 26 26 PRO C C 26 176.940 177.483 -0.543 1
1 306 . 17 1 1 A 26 26 PRO CA C 26 63.060 63.391 -0.331 1
1 307 . 17 1 1 A 26 26 PRO CB C 26 31.650 30.085 1.565 1
1 310 . 17 1 1 A 27 27 GLY H H 27 6.847 8.504 -1.657 1
1 311 . 17 1 1 A 27 27 GLY HA2 H 27 3.800 3.935 -0.135 1
1 312 . 17 1 1 A 27 27 GLY HA3 H 27 3.334 3.946 -0.612 1
1 313 . 17 1 1 A 27 27 GLY C C 27 172.705 173.409 -0.704 1
1 314 . 17 1 1 A 27 27 GLY CA C 27 44.400 45.122 -0.722 1
1 315 . 17 1 1 A 27 27 GLY N N 27 108.726 112.640 -3.914 1
1 316 . 17 1 1 A 28 28 VAL H H 28 7.416 7.798 -0.382 1
1 317 . 17 1 1 A 28 28 VAL HA H 28 3.964 4.562 -0.598 1
1 325 . 17 1 1 A 28 28 VAL C C 28 174.626 175.480 -0.854 1
1 326 . 17 1 1 A 28 28 VAL CA C 28 62.040 60.702 1.338 1
1 327 . 17 1 1 A 28 28 VAL CB C 28 32.080 35.056 -2.976 1
1 330 . 17 1 1 A 28 28 VAL N N 28 123.159 121.011 2.148 1
1 331 . 17 1 1 A 29 29 PHE H H 29 8.484 8.992 -0.508 1
1 332 . 17 1 1 A 29 29 PHE HA H 29 4.905 5.120 -0.215 1
1 340 . 17 1 1 A 29 29 PHE C C 29 177.349 174.816 2.533 1
1 341 . 17 1 1 A 29 29 PHE CA C 29 57.800 56.267 1.533 1
1 342 . 17 1 1 A 29 29 PHE CB C 29 40.050 41.327 -1.277 1
1 346 . 17 1 1 A 29 29 PHE N N 29 124.513 123.843 0.670 1
1 347 . 17 1 1 A 30 30 LEU H H 30 8.615 9.044 -0.429 1
1 348 . 17 1 1 A 30 30 LEU HA H 30 4.425 4.925 -0.500 1
1 358 . 17 1 1 A 30 30 LEU C C 30 176.877 175.358 1.519 1
1 359 . 17 1 1 A 30 30 LEU CA C 30 54.180 54.051 0.129 1
1 360 . 17 1 1 A 30 30 LEU CB C 30 42.470 44.995 -2.525 1
1 364 . 17 1 1 A 30 30 LEU N N 30 120.729 122.253 -1.524 1
1 365 . 17 1 1 A 31 31 ALA H H 31 9.109 8.902 0.207 1
1 366 . 17 1 1 A 31 31 ALA HA H 31 4.502 4.641 -0.139 1
1 370 . 17 1 1 A 31 31 ALA C C 31 176.231 176.592 -0.361 1
1 371 . 17 1 1 A 31 31 ALA CA C 31 51.170 52.367 -1.197 1
1 372 . 17 1 1 A 31 31 ALA CB C 31 20.140 19.115 1.025 1
1 373 . 17 1 1 A 31 31 ALA N N 31 126.827 130.616 -3.789 1
1 374 . 17 1 1 A 32 32 GLU H H 32 8.580 8.718 -0.138 1
1 375 . 17 1 1 A 32 32 GLU HA H 32 4.172 4.354 -0.182 1
1 380 . 17 1 1 A 32 32 GLU C C 32 174.736 174.879 -0.143 1
1 381 . 17 1 1 A 32 32 GLU CA C 32 56.140 55.783 0.357 1
1 382 . 17 1 1 A 32 32 GLU CB C 32 30.540 30.222 0.318 1
1 384 . 17 1 1 A 32 32 GLU N N 32 122.632 125.682 -3.050 1
1 385 . 17 1 1 A 33 33 HIS H H 33 8.596 8.486 0.110 1
1 386 . 17 1 1 A 33 33 HIS HA H 33 4.816 4.820 -0.004 1
1 390 . 17 1 1 A 33 33 HIS CA C 33 53.900 54.757 -0.857 1
1 391 . 17 1 1 A 33 33 HIS CB C 33 33.160 33.548 -0.388 1
1 393 . 17 1 1 A 33 33 HIS N N 33 126.719 123.510 3.209 1
1 394 . 17 1 1 A 34 34 ALA HA H 34 4.011 3.886 0.125 1
1 398 . 17 1 1 A 34 34 ALA C C 34 178.514 178.446 0.068 1
1 399 . 17 1 1 A 34 34 ALA CA C 34 55.850 54.729 1.121 1
1 400 . 17 1 1 A 34 34 ALA CB C 34 18.060 18.497 -0.437 1
1 401 . 17 1 1 A 35 35 ASP H H 35 8.241 8.100 0.141 1
1 402 . 17 1 1 A 35 35 ASP HA H 35 4.737 4.679 0.058 1
1 405 . 17 1 1 A 35 35 ASP C C 35 177.003 176.074 0.929 1
1 406 . 17 1 1 A 35 35 ASP CA C 35 53.040 56.121 -3.081 1
1 407 . 17 1 1 A 35 35 ASP CB C 35 41.840 42.508 -0.668 1
1 408 . 17 1 1 A 35 35 ASP N N 35 108.393 115.777 -7.384 1
1 409 . 17 1 1 A 36 36 ARG H H 36 7.175 7.551 -0.376 1
1 410 . 17 1 1 A 36 36 ARG HA H 36 4.940 4.401 0.539 1
1 417 . 17 1 1 A 36 36 ARG C C 36 171.430 173.185 -1.755 1
1 418 . 17 1 1 A 36 36 ARG CA C 36 54.670 54.789 -0.119 1
1 419 . 17 1 1 A 36 36 ARG CB C 36 31.550 32.082 -0.532 1
1 422 . 17 1 1 A 36 36 ARG N N 36 116.403 113.348 3.055 1
1 423 . 17 1 1 A 37 37 TYR H H 37 9.025 9.162 -0.137 1
1 424 . 17 1 1 A 37 37 TYR HA H 37 5.546 5.418 0.128 1
1 431 . 17 1 1 A 37 37 TYR C C 37 176.027 174.668 1.359 1
1 432 . 17 1 1 A 37 37 TYR CA C 37 56.400 57.210 -0.810 1
1 433 . 17 1 1 A 37 37 TYR CB C 37 41.830 41.283 0.547 1
1 436 . 17 1 1 A 37 37 TYR N N 37 118.099 118.760 -0.661 1
1 437 . 17 1 1 A 38 38 SER H H 38 9.208 9.271 -0.063 1
1 438 . 17 1 1 A 38 38 SER HA H 38 5.675 5.425 0.250 1
1 441 . 17 1 1 A 38 38 SER C C 38 172.862 172.631 0.231 1
1 442 . 17 1 1 A 38 38 SER CA C 38 57.200 56.804 0.396 1
1 443 . 17 1 1 A 38 38 SER CB C 38 67.430 65.925 1.505 1
1 444 . 17 1 1 A 38 38 SER N N 38 114.608 116.124 -1.516 1
1 445 . 17 1 1 A 39 39 CYS H H 39 9.403 8.531 0.872 1
1 446 . 17 1 1 A 39 39 CYS HA H 39 4.781 4.783 -0.002 1
1 449 . 17 1 1 A 39 39 CYS C C 39 177.931 173.717 4.214 1
1 450 . 17 1 1 A 39 39 CYS CA C 39 58.680 57.951 0.729 1
1 451 . 17 1 1 A 39 39 CYS CB C 39 32.710 28.273 4.437 1
1 452 . 17 1 1 A 39 39 CYS N N 39 127.346 124.127 3.219 1
1 453 . 17 1 1 A 40 40 GLY H H 40 9.147 8.730 0.417 1
1 454 . 17 1 1 A 40 40 GLY HA2 H 40 4.053 3.893 0.160 1
1 455 . 17 1 1 A 40 40 GLY HA3 H 40 3.875 3.893 -0.018 1
1 456 . 17 1 1 A 40 40 GLY C C 40 173.602 174.435 -0.833 1
1 457 . 17 1 1 A 40 40 GLY CA C 40 46.270 47.188 -0.918 1
1 458 . 17 1 1 A 40 40 GLY N N 40 119.366 114.685 4.681 1
1 459 . 17 1 1 A 41 41 ARG H H 41 9.279 8.701 0.578 1
1 460 . 17 1 1 A 41 41 ARG HA H 41 4.362 4.591 -0.229 1
1 467 . 17 1 1 A 41 41 ARG C C 41 177.601 177.063 0.538 1
1 468 . 17 1 1 A 41 41 ARG CA C 41 58.200 56.970 1.230 1
1 469 . 17 1 1 A 41 41 ARG CB C 41 30.980 33.575 -2.595 1
1 472 . 17 1 1 A 41 41 ARG N N 41 123.467 122.161 1.306 1
1 473 . 17 1 1 A 42 42 CYS H H 42 8.759 7.686 1.073 1
1 474 . 17 1 1 A 42 42 CYS HA H 42 4.944 4.637 0.307 1
1 477 . 17 1 1 A 42 42 CYS C C 42 177.160 175.835 1.325 1
1 478 . 17 1 1 A 42 42 CYS CA C 42 58.390 58.454 -0.064 1
1 479 . 17 1 1 A 42 42 CYS CB C 42 33.600 29.556 4.044 1
1 480 . 17 1 1 A 42 42 CYS N N 42 118.328 115.549 2.779 1
1 481 . 17 1 1 A 43 43 GLY H H 43 7.686 8.124 -0.438 1
1 482 . 17 1 1 A 43 43 GLY HA2 H 43 4.251 3.917 0.334 1
1 483 . 17 1 1 A 43 43 GLY HA3 H 43 3.782 3.919 -0.137 1
1 484 . 17 1 1 A 43 43 GLY C C 43 174.122 174.074 0.048 1
1 485 . 17 1 1 A 43 43 GLY CA C 43 46.100 46.150 -0.050 1
1 486 . 17 1 1 A 43 43 GLY N N 43 112.843 111.106 1.737 1
1 487 . 17 1 1 A 44 44 TYR H H 44 9.285 8.103 1.182 1
1 488 . 17 1 1 A 44 44 TYR HA H 44 4.109 4.364 -0.255 1
1 495 . 17 1 1 A 44 44 TYR C C 44 174.248 174.890 -0.642 1
1 496 . 17 1 1 A 44 44 TYR CA C 44 60.680 58.004 2.676 1
1 497 . 17 1 1 A 44 44 TYR CB C 44 39.840 38.485 1.355 1
1 500 . 17 1 1 A 44 44 TYR N N 44 127.411 122.033 5.378 1
1 501 . 17 1 1 A 45 45 THR H H 45 7.572 8.706 -1.134 1
1 502 . 17 1 1 A 45 45 THR HA H 45 4.763 5.123 -0.360 1
1 507 . 17 1 1 A 45 45 THR C C 45 171.635 172.672 -1.037 1
1 508 . 17 1 1 A 45 45 THR CA C 45 60.820 61.218 -0.398 1
1 509 . 17 1 1 A 45 45 THR CB C 45 72.660 70.728 1.932 1
1 511 . 17 1 1 A 45 45 THR N N 45 122.481 124.077 -1.596 1
1 512 . 17 1 1 A 46 46 GLU H H 46 8.456 8.598 -0.142 1
1 513 . 17 1 1 A 46 46 GLU HA H 46 4.430 4.962 -0.532 1
1 518 . 17 1 1 A 46 46 GLU C C 46 175.240 175.619 -0.379 1
1 519 . 17 1 1 A 46 46 GLU CA C 46 54.100 54.576 -0.476 1
1 520 . 17 1 1 A 46 46 GLU CB C 46 33.180 33.450 -0.270 1
1 522 . 17 1 1 A 46 46 GLU N N 46 124.924 127.735 -2.811 1
1 523 . 17 1 1 A 47 47 PHE H H 47 9.084 9.131 -0.047 1
1 524 . 17 1 1 A 47 47 PHE HA H 47 4.417 4.605 -0.188 1
1 529 . 17 1 1 A 47 47 PHE C C 47 176.987 175.661 1.326 1
1 530 . 17 1 1 A 47 47 PHE CA C 47 59.920 58.786 1.134 1
1 531 . 17 1 1 A 47 47 PHE CB C 47 39.420 39.611 -0.191 1
1 533 . 17 1 1 A 47 47 PHE N N 47 125.357 125.811 -0.454 1
1 534 . 17 1 1 A 48 48 LYS H H 48 8.082 8.418 -0.336 1
1 535 . 17 1 1 A 48 48 LYS HA H 48 4.233 4.447 -0.214 1
1 544 . 17 1 1 A 48 48 LYS C C 48 176.278 175.729 0.549 1
1 545 . 17 1 1 A 48 48 LYS CA C 48 57.670 56.229 1.441 1
1 546 . 17 1 1 A 48 48 LYS CB C 48 33.900 31.394 2.506 1
1 550 . 17 1 1 A 48 48 LYS N N 48 122.654 122.529 0.125 1
1 551 . 17 1 1 A 49 49 LYS H H 49 8.475 8.357 0.118 1
1 552 . 17 1 1 A 49 49 LYS HA H 49 4.299 4.649 -0.350 1
1 561 . 17 1 1 A 49 49 LYS C C 49 175.979 175.931 0.048 1
1 562 . 17 1 1 A 49 49 LYS CA C 49 56.100 55.836 0.264 1
1 563 . 17 1 1 A 49 49 LYS CB C 49 33.090 32.638 0.452 1
1 567 . 17 1 1 A 49 49 LYS N N 49 121.521 124.879 -3.358 1
1 568 . 17 1 1 A 50 50 ALA H H 50 8.250 8.351 -0.101 1
1 569 . 17 1 1 A 50 50 ALA HA H 50 4.264 4.490 -0.226 1
1 573 . 17 1 1 A 50 50 ALA C C 50 177.617 177.465 0.152 1
1 574 . 17 1 1 A 50 50 ALA CA C 50 52.490 52.476 0.014 1
1 575 . 17 1 1 A 50 50 ALA CB C 50 19.420 19.004 0.416 1
1 576 . 17 1 1 A 50 50 ALA N N 50 125.681 128.648 -2.967 1
1 577 . 17 1 1 A 51 51 LYS H H 51 8.279 8.629 -0.350 1
1 578 . 17 1 1 A 51 51 LYS HA H 51 4.296 4.998 -0.702 1
1 585 . 17 1 1 A 51 51 LYS C C 51 176.562 175.104 1.458 1
1 586 . 17 1 1 A 51 51 LYS CA C 51 56.300 54.570 1.730 1
1 587 . 17 1 1 A 51 51 LYS CB C 51 33.090 36.920 -3.830 1
1 591 . 17 1 1 A 51 51 LYS N N 51 121.304 122.902 -1.598 1
1 592 . 17 1 1 A 52 52 LYS H H 52 8.312 8.538 -0.226 1
1 593 . 17 1 1 A 52 52 LYS HA H 52 4.298 4.979 -0.681 1
1 598 . 17 1 1 A 52 52 LYS C C 52 176.530 175.172 1.358 1
1 599 . 17 1 1 A 52 52 LYS CA C 52 56.140 54.628 1.512 1
1 600 . 17 1 1 A 52 52 LYS CB C 52 33.180 35.839 -2.659 1
1 603 . 17 1 1 A 52 52 LYS N N 52 123.129 121.175 1.954 1
1 604 . 17 1 1 A 53 53 SER H H 53 8.309 8.942 -0.633 1
1 605 . 17 1 1 A 53 53 SER HA H 53 4.399 4.635 -0.236 1
1 608 . 17 1 1 A 53 53 SER C C 53 174.531 173.861 0.670 1
1 609 . 17 1 1 A 53 53 SER CA C 53 58.140 57.763 0.377 1
1 610 . 17 1 1 A 53 53 SER CB C 53 63.780 63.911 -0.131 1
1 611 . 17 1 1 A 53 53 SER N N 53 117.625 118.200 -0.575 1
1 612 . 17 1 1 A 54 54 LYS H H 54 8.409 8.306 0.103 1
1 613 . 17 1 1 A 54 54 LYS HA H 54 4.338 4.195 0.143 1
1 618 . 17 1 1 A 54 54 LYS CA C 54 56.650 56.492 0.158 1
1 619 . 17 1 1 A 54 54 LYS CB C 54 32.920 32.732 0.188 1
1 621 . 17 1 1 A 54 54 LYS N N 54 123.196 121.921 1.275 1
1 16 . 18 1 1 A 2 2 GLN H H 2 8.326 8.493 -0.167 1
1 17 . 18 1 1 A 2 2 GLN HA H 2 4.252 4.888 -0.636 1
1 18 . 18 1 1 A 2 2 GLN CA C 2 55.970 55.287 0.683 1
1 19 . 18 1 1 A 2 2 GLN CB C 2 29.990 32.250 -2.260 1
1 20 . 18 1 1 A 2 2 GLN N N 2 123.332 121.516 1.816 1
1 21 . 18 1 1 A 3 3 LYS HA H 3 4.229 4.625 -0.396 1
1 22 . 18 1 1 A 3 3 LYS C C 3 176.404 174.444 1.960 1
1 23 . 18 1 1 A 3 3 LYS CA C 3 56.570 55.278 1.292 1
1 24 . 18 1 1 A 3 3 LYS CB C 3 32.880 36.675 -3.795 1
1 25 . 18 1 1 A 4 4 ARG H H 4 8.303 8.467 -0.164 1
1 26 . 18 1 1 A 4 4 ARG HA H 4 4.237 4.342 -0.105 1
1 33 . 18 1 1 A 4 4 ARG C C 4 176.656 175.873 0.783 1
1 34 . 18 1 1 A 4 4 ARG CA C 4 56.420 55.161 1.259 1
1 35 . 18 1 1 A 4 4 ARG CB C 4 30.910 28.319 2.591 1
1 38 . 18 1 1 A 4 4 ARG N N 4 122.770 125.167 -2.397 1
1 39 . 18 1 1 A 5 5 GLU H H 5 8.472 8.361 0.111 1
1 40 . 18 1 1 A 5 5 GLU HA H 5 4.201 3.898 0.303 1
1 45 . 18 1 1 A 5 5 GLU C C 5 176.137 177.063 -0.926 1
1 46 . 18 1 1 A 5 5 GLU CA C 5 56.650 56.847 -0.197 1
1 47 . 18 1 1 A 5 5 GLU CB C 5 30.400 29.276 1.124 1
1 49 . 18 1 1 A 5 5 GLU N N 5 121.724 123.363 -1.639 1
1 50 . 18 1 1 A 6 6 LEU H H 6 8.127 7.647 0.480 1
1 51 . 18 1 1 A 6 6 LEU HA H 6 4.200 4.186 0.014 1
1 61 . 18 1 1 A 6 6 LEU C C 6 176.782 176.720 0.062 1
1 62 . 18 1 1 A 6 6 LEU CA C 6 55.200 55.223 -0.023 1
1 63 . 18 1 1 A 6 6 LEU CB C 6 42.520 42.066 0.454 1
1 67 . 18 1 1 A 6 6 LEU N N 6 122.169 118.098 4.071 1
1 68 . 18 1 1 A 7 7 TYR H H 7 7.943 7.860 0.083 1
1 69 . 18 1 1 A 7 7 TYR HA H 7 4.636 4.563 0.073 1
1 76 . 18 1 1 A 7 7 TYR C C 7 175.350 174.209 1.141 1
1 77 . 18 1 1 A 7 7 TYR CA C 7 57.420 60.316 -2.896 1
1 78 . 18 1 1 A 7 7 TYR CB C 7 39.370 37.176 2.194 1
1 81 . 18 1 1 A 7 7 TYR N N 7 119.193 117.489 1.704 1
1 82 . 18 1 1 A 8 8 GLU H H 8 8.314 8.840 -0.526 1
1 83 . 18 1 1 A 8 8 GLU HA H 8 4.314 5.075 -0.761 1
1 88 . 18 1 1 A 8 8 GLU C C 8 175.665 176.837 -1.172 1
1 89 . 18 1 1 A 8 8 GLU CA C 8 55.880 55.028 0.852 1
1 90 . 18 1 1 A 8 8 GLU CB C 8 31.100 31.721 -0.621 1
1 92 . 18 1 1 A 8 8 GLU N N 8 121.754 121.193 0.561 1
1 93 . 18 1 1 A 9 9 ILE H H 9 8.116 8.390 -0.274 1
1 94 . 18 1 1 A 9 9 ILE HA H 9 4.204 4.414 -0.210 1
1 104 . 18 1 1 A 9 9 ILE C C 9 176.058 176.422 -0.364 1
1 105 . 18 1 1 A 9 9 ILE CA C 9 60.640 59.814 0.826 1
1 106 . 18 1 1 A 9 9 ILE CB C 9 38.440 39.898 -1.458 1
1 110 . 18 1 1 A 9 9 ILE N N 9 121.966 119.386 2.580 1
1 111 . 18 1 1 A 10 10 ALA H H 10 8.472 8.770 -0.298 1
1 112 . 18 1 1 A 10 10 ALA HA H 10 4.342 4.619 -0.277 1
1 116 . 18 1 1 A 10 10 ALA C C 10 177.286 176.343 0.943 1
1 117 . 18 1 1 A 10 10 ALA CA C 10 52.450 50.325 2.125 1
1 118 . 18 1 1 A 10 10 ALA CB C 10 19.420 20.957 -1.537 1
1 119 . 18 1 1 A 10 10 ALA N N 10 128.558 124.038 4.520 1
1 120 . 18 1 1 A 11 11 ASP H H 11 8.423 8.585 -0.162 1
1 121 . 18 1 1 A 11 11 ASP HA H 11 4.423 5.321 -0.898 1
1 124 . 18 1 1 A 11 11 ASP C C 11 176.798 176.563 0.235 1
1 125 . 18 1 1 A 11 11 ASP CA C 11 54.780 52.924 1.856 1
1 126 . 18 1 1 A 11 11 ASP CB C 11 40.900 42.916 -2.016 1
1 127 . 18 1 1 A 11 11 ASP N N 11 120.945 117.953 2.992 1
1 128 . 18 1 1 A 12 12 GLY H H 12 8.263 8.422 -0.159 1
1 129 . 18 1 1 A 12 12 GLY HA2 H 12 3.928 4.089 -0.161 1
1 130 . 18 1 1 A 12 12 GLY HA3 H 12 3.765 4.091 -0.326 1
1 131 . 18 1 1 A 12 12 GLY C C 12 174.326 174.636 -0.310 1
1 132 . 18 1 1 A 12 12 GLY CA C 12 45.630 44.202 1.428 1
1 133 . 18 1 1 A 12 12 GLY N N 12 107.572 108.394 -0.822 1
1 134 . 18 1 1 A 13 13 LYS H H 13 7.974 8.664 -0.690 1
1 135 . 18 1 1 A 13 13 LYS HA H 13 4.286 4.460 -0.174 1
1 144 . 18 1 1 A 13 13 LYS C C 13 176.105 176.124 -0.019 1
1 145 . 18 1 1 A 13 13 LYS CA C 13 55.970 57.159 -1.189 1
1 146 . 18 1 1 A 13 13 LYS CB C 13 33.000 34.386 -1.386 1
1 150 . 18 1 1 A 13 13 LYS N N 13 120.339 119.866 0.473 1
1 151 . 18 1 1 A 14 14 LEU H H 14 8.103 7.403 0.700 1
1 152 . 18 1 1 A 14 14 LEU HA H 14 4.355 4.369 -0.014 1
1 162 . 18 1 1 A 14 14 LEU C C 14 177.050 176.186 0.864 1
1 163 . 18 1 1 A 14 14 LEU CA C 14 54.990 54.122 0.868 1
1 164 . 18 1 1 A 14 14 LEU CB C 14 42.180 43.073 -0.893 1
1 168 . 18 1 1 A 14 14 LEU N N 14 122.169 117.659 4.510 1
1 169 . 18 1 1 A 15 15 VAL H H 15 8.236 8.510 -0.274 1
1 170 . 18 1 1 A 15 15 VAL HA H 15 4.090 4.534 -0.444 1
1 178 . 18 1 1 A 15 15 VAL C C 15 175.680 175.476 0.204 1
1 179 . 18 1 1 A 15 15 VAL CA C 15 62.000 60.455 1.545 1
1 180 . 18 1 1 A 15 15 VAL CB C 15 33.050 31.591 1.459 1
1 182 . 18 1 1 A 15 15 VAL N N 15 122.264 117.125 5.139 1
1 183 . 18 1 1 A 16 16 ARG H H 16 8.293 8.438 -0.145 1
1 184 . 18 1 1 A 16 16 ARG HA H 16 4.187 3.950 0.237 1
1 191 . 18 1 1 A 16 16 ARG C C 16 175.822 175.872 -0.050 1
1 192 . 18 1 1 A 16 16 ARG CA C 16 55.820 57.883 -2.063 1
1 193 . 18 1 1 A 16 16 ARG CB C 16 30.820 28.652 2.168 1
1 196 . 18 1 1 A 16 16 ARG N N 16 124.903 119.752 5.151 1
1 197 . 18 1 1 A 17 17 LYS H H 17 8.239 8.652 -0.413 1
1 198 . 18 1 1 A 17 17 LYS HA H 17 4.130 4.463 -0.333 1
1 207 . 18 1 1 A 17 17 LYS C C 17 175.995 176.032 -0.037 1
1 208 . 18 1 1 A 17 17 LYS CA C 17 56.270 55.795 0.475 1
1 209 . 18 1 1 A 17 17 LYS CB C 17 33.130 32.605 0.525 1
1 213 . 18 1 1 A 17 17 LYS N N 17 123.108 124.011 -0.903 1
1 214 . 18 1 1 A 18 18 HIS H H 18 8.067 8.060 0.007 1
1 215 . 18 1 1 A 18 18 HIS HA H 18 4.572 4.471 0.101 1
1 218 . 18 1 1 A 18 18 HIS C C 18 174.736 172.936 1.800 1
1 219 . 18 1 1 A 18 18 HIS CA C 18 55.460 57.945 -2.485 1
1 220 . 18 1 1 A 18 18 HIS CB C 18 31.390 28.381 3.009 1
1 221 . 18 1 1 A 18 18 HIS N N 18 120.275 116.650 3.625 1
1 222 . 18 1 1 A 19 19 ARG H H 19 8.767 8.716 0.051 1
1 223 . 18 1 1 A 19 19 ARG HA H 19 4.254 4.869 -0.615 1
1 230 . 18 1 1 A 19 19 ARG C C 19 175.790 174.681 1.109 1
1 231 . 18 1 1 A 19 19 ARG CA C 19 55.480 53.954 1.526 1
1 232 . 18 1 1 A 19 19 ARG CB C 19 32.050 34.249 -2.199 1
1 235 . 18 1 1 A 19 19 ARG N N 19 122.186 120.206 1.980 1
1 236 . 18 1 1 A 20 20 PHE H H 20 7.866 9.034 -1.168 1
1 237 . 18 1 1 A 20 20 PHE HA H 20 5.296 5.146 0.150 1
1 245 . 18 1 1 A 20 20 PHE C C 20 174.673 175.107 -0.434 1
1 246 . 18 1 1 A 20 20 PHE CA C 20 54.520 56.908 -2.388 1
1 247 . 18 1 1 A 20 20 PHE CB C 20 40.050 43.318 -3.268 1
1 251 . 18 1 1 A 20 20 PHE N N 20 120.369 119.414 0.955 1
1 252 . 18 1 1 A 21 21 CYS H H 21 8.557 8.636 -0.079 1
1 253 . 18 1 1 A 21 21 CYS HA H 21 4.062 4.656 -0.594 1
1 256 . 18 1 1 A 21 21 CYS CA C 21 56.880 56.945 -0.065 1
1 257 . 18 1 1 A 21 21 CYS CB C 21 30.710 27.808 2.902 1
1 258 . 18 1 1 A 21 21 CYS N N 21 123.994 120.268 3.726 1
1 259 . 18 1 1 A 22 22 PRO HA H 22 4.211 4.287 -0.076 1
1 266 . 18 1 1 A 22 22 PRO C C 22 177.475 179.047 -1.572 1
1 267 . 18 1 1 A 22 22 PRO CA C 22 64.260 65.774 -1.514 1
1 268 . 18 1 1 A 22 22 PRO CB C 22 31.730 31.347 0.383 1
1 271 . 18 1 1 A 23 23 ARG H H 23 8.569 8.345 0.224 1
1 272 . 18 1 1 A 23 23 ARG HA H 23 4.223 4.040 0.183 1
1 279 . 18 1 1 A 23 23 ARG C C 23 178.246 177.882 0.364 1
1 280 . 18 1 1 A 23 23 ARG CA C 23 58.030 59.119 -1.089 1
1 281 . 18 1 1 A 23 23 ARG CB C 23 31.240 29.983 1.257 1
1 284 . 18 1 1 A 23 23 ARG N N 23 121.075 117.906 3.169 1
1 285 . 18 1 1 A 24 24 CYS H H 24 9.550 8.273 1.277 1
1 286 . 18 1 1 A 24 24 CYS HA H 24 3.872 4.442 -0.570 1
1 289 . 18 1 1 A 24 24 CYS C C 24 177.302 176.227 1.075 1
1 290 . 18 1 1 A 24 24 CYS CA C 24 63.060 60.643 2.417 1
1 291 . 18 1 1 A 24 24 CYS CB C 24 30.120 27.315 2.805 1
1 292 . 18 1 1 A 24 24 CYS N N 24 123.692 117.820 5.872 1
1 293 . 18 1 1 A 25 25 GLY H H 25 8.166 7.926 0.240 1
1 294 . 18 1 1 A 25 25 GLY HA2 H 25 4.142 3.816 0.326 1
1 295 . 18 1 1 A 25 25 GLY HA3 H 25 3.623 3.841 -0.218 1
1 296 . 18 1 1 A 25 25 GLY CA C 25 44.640 48.077 -3.437 1
1 297 . 18 1 1 A 25 25 GLY N N 25 107.593 109.486 -1.893 1
1 298 . 18 1 1 A 26 26 PRO HA H 26 2.807 4.193 -1.386 1
1 305 . 18 1 1 A 26 26 PRO C C 26 176.940 177.519 -0.579 1
1 306 . 18 1 1 A 26 26 PRO CA C 26 63.060 63.692 -0.632 1
1 307 . 18 1 1 A 26 26 PRO CB C 26 31.650 30.945 0.705 1
1 310 . 18 1 1 A 27 27 GLY H H 27 6.847 8.624 -1.777 1
1 311 . 18 1 1 A 27 27 GLY HA2 H 27 3.800 3.919 -0.119 1
1 312 . 18 1 1 A 27 27 GLY HA3 H 27 3.334 3.921 -0.587 1
1 313 . 18 1 1 A 27 27 GLY C C 27 172.705 173.579 -0.874 1
1 314 . 18 1 1 A 27 27 GLY CA C 27 44.400 45.194 -0.794 1
1 315 . 18 1 1 A 27 27 GLY N N 27 108.726 112.718 -3.992 1
1 316 . 18 1 1 A 28 28 VAL H H 28 7.416 7.805 -0.389 1
1 317 . 18 1 1 A 28 28 VAL HA H 28 3.964 4.423 -0.459 1
1 325 . 18 1 1 A 28 28 VAL C C 28 174.626 175.501 -0.875 1
1 326 . 18 1 1 A 28 28 VAL CA C 28 62.040 61.048 0.992 1
1 327 . 18 1 1 A 28 28 VAL CB C 28 32.080 34.200 -2.120 1
1 330 . 18 1 1 A 28 28 VAL N N 28 123.159 121.676 1.483 1
1 331 . 18 1 1 A 29 29 PHE H H 29 8.484 8.988 -0.504 1
1 332 . 18 1 1 A 29 29 PHE HA H 29 4.905 5.196 -0.291 1
1 340 . 18 1 1 A 29 29 PHE C C 29 177.349 174.683 2.666 1
1 341 . 18 1 1 A 29 29 PHE CA C 29 57.800 56.557 1.243 1
1 342 . 18 1 1 A 29 29 PHE CB C 29 40.050 40.856 -0.806 1
1 346 . 18 1 1 A 29 29 PHE N N 29 124.513 125.042 -0.529 1
1 347 . 18 1 1 A 30 30 LEU H H 30 8.615 8.927 -0.312 1
1 348 . 18 1 1 A 30 30 LEU HA H 30 4.425 5.074 -0.649 1
1 358 . 18 1 1 A 30 30 LEU C C 30 176.877 175.618 1.259 1
1 359 . 18 1 1 A 30 30 LEU CA C 30 54.180 53.867 0.313 1
1 360 . 18 1 1 A 30 30 LEU CB C 30 42.470 45.627 -3.157 1
1 364 . 18 1 1 A 30 30 LEU N N 30 120.729 122.095 -1.366 1
1 365 . 18 1 1 A 31 31 ALA H H 31 9.109 8.770 0.339 1
1 366 . 18 1 1 A 31 31 ALA HA H 31 4.502 4.542 -0.040 1
1 370 . 18 1 1 A 31 31 ALA C C 31 176.231 176.538 -0.307 1
1 371 . 18 1 1 A 31 31 ALA CA C 31 51.170 52.042 -0.872 1
1 372 . 18 1 1 A 31 31 ALA CB C 31 20.140 18.406 1.734 1
1 373 . 18 1 1 A 31 31 ALA N N 31 126.827 129.660 -2.833 1
1 374 . 18 1 1 A 32 32 GLU H H 32 8.580 8.718 -0.138 1
1 375 . 18 1 1 A 32 32 GLU HA H 32 4.172 4.239 -0.067 1
1 380 . 18 1 1 A 32 32 GLU C C 32 174.736 175.128 -0.392 1
1 381 . 18 1 1 A 32 32 GLU CA C 32 56.140 55.623 0.517 1
1 382 . 18 1 1 A 32 32 GLU CB C 32 30.540 30.053 0.487 1
1 384 . 18 1 1 A 32 32 GLU N N 32 122.632 126.126 -3.494 1
1 385 . 18 1 1 A 33 33 HIS H H 33 8.596 8.681 -0.085 1
1 386 . 18 1 1 A 33 33 HIS HA H 33 4.816 4.891 -0.075 1
1 390 . 18 1 1 A 33 33 HIS CA C 33 53.900 55.040 -1.140 1
1 391 . 18 1 1 A 33 33 HIS CB C 33 33.160 31.904 1.256 1
1 393 . 18 1 1 A 33 33 HIS N N 33 126.719 124.096 2.623 1
1 394 . 18 1 1 A 34 34 ALA HA H 34 4.011 3.881 0.130 1
1 398 . 18 1 1 A 34 34 ALA C C 34 178.514 178.920 -0.406 1
1 399 . 18 1 1 A 34 34 ALA CA C 34 55.850 54.823 1.027 1
1 400 . 18 1 1 A 34 34 ALA CB C 34 18.060 18.479 -0.419 1
1 401 . 18 1 1 A 35 35 ASP H H 35 8.241 7.814 0.427 1
1 402 . 18 1 1 A 35 35 ASP HA H 35 4.737 4.536 0.201 1
1 405 . 18 1 1 A 35 35 ASP C C 35 177.003 175.903 1.100 1
1 406 . 18 1 1 A 35 35 ASP CA C 35 53.040 55.993 -2.953 1
1 407 . 18 1 1 A 35 35 ASP CB C 35 41.840 42.203 -0.363 1
1 408 . 18 1 1 A 35 35 ASP N N 35 108.393 116.851 -8.458 1
1 409 . 18 1 1 A 36 36 ARG H H 36 7.175 7.599 -0.424 1
1 410 . 18 1 1 A 36 36 ARG HA H 36 4.940 4.583 0.357 1
1 417 . 18 1 1 A 36 36 ARG C C 36 171.430 173.262 -1.832 1
1 418 . 18 1 1 A 36 36 ARG CA C 36 54.670 55.007 -0.337 1
1 419 . 18 1 1 A 36 36 ARG CB C 36 31.550 31.984 -0.434 1
1 422 . 18 1 1 A 36 36 ARG N N 36 116.403 114.462 1.941 1
1 423 . 18 1 1 A 37 37 TYR H H 37 9.025 9.343 -0.318 1
1 424 . 18 1 1 A 37 37 TYR HA H 37 5.546 5.681 -0.135 1
1 431 . 18 1 1 A 37 37 TYR C C 37 176.027 175.628 0.399 1
1 432 . 18 1 1 A 37 37 TYR CA C 37 56.400 57.112 -0.712 1
1 433 . 18 1 1 A 37 37 TYR CB C 37 41.830 40.308 1.522 1
1 436 . 18 1 1 A 37 37 TYR N N 37 118.099 118.810 -0.711 1
1 437 . 18 1 1 A 38 38 SER H H 38 9.208 8.949 0.259 1
1 438 . 18 1 1 A 38 38 SER HA H 38 5.675 5.076 0.599 1
1 441 . 18 1 1 A 38 38 SER C C 38 172.862 173.073 -0.211 1
1 442 . 18 1 1 A 38 38 SER CA C 38 57.200 56.694 0.506 1
1 443 . 18 1 1 A 38 38 SER CB C 38 67.430 66.681 0.749 1
1 444 . 18 1 1 A 38 38 SER N N 38 114.608 115.623 -1.015 1
1 445 . 18 1 1 A 39 39 CYS H H 39 9.403 8.533 0.870 1
1 446 . 18 1 1 A 39 39 CYS HA H 39 4.781 4.822 -0.041 1
1 449 . 18 1 1 A 39 39 CYS C C 39 177.931 173.469 4.462 1
1 450 . 18 1 1 A 39 39 CYS CA C 39 58.680 57.723 0.957 1
1 451 . 18 1 1 A 39 39 CYS CB C 39 32.710 28.266 4.444 1
1 452 . 18 1 1 A 39 39 CYS N N 39 127.346 120.975 6.371 1
1 453 . 18 1 1 A 40 40 GLY H H 40 9.147 8.745 0.402 1
1 454 . 18 1 1 A 40 40 GLY HA2 H 40 4.053 3.897 0.156 1
1 455 . 18 1 1 A 40 40 GLY HA3 H 40 3.875 3.907 -0.032 1
1 456 . 18 1 1 A 40 40 GLY C C 40 173.602 174.198 -0.596 1
1 457 . 18 1 1 A 40 40 GLY CA C 40 46.270 47.090 -0.820 1
1 458 . 18 1 1 A 40 40 GLY N N 40 119.366 114.645 4.721 1
1 459 . 18 1 1 A 41 41 ARG H H 41 9.279 8.639 0.640 1
1 460 . 18 1 1 A 41 41 ARG HA H 41 4.362 4.590 -0.228 1
1 467 . 18 1 1 A 41 41 ARG C C 41 177.601 176.998 0.603 1
1 468 . 18 1 1 A 41 41 ARG CA C 41 58.200 57.268 0.932 1
1 469 . 18 1 1 A 41 41 ARG CB C 41 30.980 33.311 -2.331 1
1 472 . 18 1 1 A 41 41 ARG N N 41 123.467 123.753 -0.286 1
1 473 . 18 1 1 A 42 42 CYS H H 42 8.759 7.767 0.992 1
1 474 . 18 1 1 A 42 42 CYS HA H 42 4.944 4.654 0.290 1
1 477 . 18 1 1 A 42 42 CYS C C 42 177.160 175.690 1.470 1
1 478 . 18 1 1 A 42 42 CYS CA C 42 58.390 58.498 -0.108 1
1 479 . 18 1 1 A 42 42 CYS CB C 42 33.600 29.774 3.826 1
1 480 . 18 1 1 A 42 42 CYS N N 42 118.328 115.345 2.983 1
1 481 . 18 1 1 A 43 43 GLY H H 43 7.686 8.024 -0.338 1
1 482 . 18 1 1 A 43 43 GLY HA2 H 43 4.251 3.949 0.302 1
1 483 . 18 1 1 A 43 43 GLY HA3 H 43 3.782 3.955 -0.173 1
1 484 . 18 1 1 A 43 43 GLY C C 43 174.122 174.126 -0.004 1
1 485 . 18 1 1 A 43 43 GLY CA C 43 46.100 46.265 -0.165 1
1 486 . 18 1 1 A 43 43 GLY N N 43 112.843 111.571 1.272 1
1 487 . 18 1 1 A 44 44 TYR H H 44 9.285 7.957 1.328 1
1 488 . 18 1 1 A 44 44 TYR HA H 44 4.109 4.680 -0.571 1
1 495 . 18 1 1 A 44 44 TYR C C 44 174.248 174.590 -0.342 1
1 496 . 18 1 1 A 44 44 TYR CA C 44 60.680 56.957 3.723 1
1 497 . 18 1 1 A 44 44 TYR CB C 44 39.840 38.941 0.899 1
1 500 . 18 1 1 A 44 44 TYR N N 44 127.411 121.446 5.965 1
1 501 . 18 1 1 A 45 45 THR H H 45 7.572 8.795 -1.223 1
1 502 . 18 1 1 A 45 45 THR HA H 45 4.763 5.362 -0.599 1
1 507 . 18 1 1 A 45 45 THR C C 45 171.635 172.944 -1.309 1
1 508 . 18 1 1 A 45 45 THR CA C 45 60.820 60.557 0.263 1
1 509 . 18 1 1 A 45 45 THR CB C 45 72.660 71.428 1.232 1
1 511 . 18 1 1 A 45 45 THR N N 45 122.481 124.069 -1.588 1
1 512 . 18 1 1 A 46 46 GLU H H 46 8.456 8.698 -0.242 1
1 513 . 18 1 1 A 46 46 GLU HA H 46 4.430 4.660 -0.230 1
1 518 . 18 1 1 A 46 46 GLU C C 46 175.240 175.109 0.131 1
1 519 . 18 1 1 A 46 46 GLU CA C 46 54.100 55.081 -0.981 1
1 520 . 18 1 1 A 46 46 GLU CB C 46 33.180 33.492 -0.312 1
1 522 . 18 1 1 A 46 46 GLU N N 46 124.924 126.806 -1.882 1
1 523 . 18 1 1 A 47 47 PHE H H 47 9.084 9.012 0.072 1
1 524 . 18 1 1 A 47 47 PHE HA H 47 4.417 4.709 -0.292 1
1 529 . 18 1 1 A 47 47 PHE C C 47 176.987 175.833 1.154 1
1 530 . 18 1 1 A 47 47 PHE CA C 47 59.920 58.787 1.133 1
1 531 . 18 1 1 A 47 47 PHE CB C 47 39.420 39.481 -0.061 1
1 533 . 18 1 1 A 47 47 PHE N N 47 125.357 125.724 -0.367 1
1 534 . 18 1 1 A 48 48 LYS H H 48 8.082 8.417 -0.335 1
1 535 . 18 1 1 A 48 48 LYS HA H 48 4.233 4.609 -0.376 1
1 544 . 18 1 1 A 48 48 LYS C C 48 176.278 176.492 -0.214 1
1 545 . 18 1 1 A 48 48 LYS CA C 48 57.670 57.053 0.617 1
1 546 . 18 1 1 A 48 48 LYS CB C 48 33.900 32.770 1.130 1
1 550 . 18 1 1 A 48 48 LYS N N 48 122.654 121.952 0.702 1
1 551 . 18 1 1 A 49 49 LYS H H 49 8.475 9.191 -0.716 1
1 552 . 18 1 1 A 49 49 LYS HA H 49 4.299 4.670 -0.371 1
1 561 . 18 1 1 A 49 49 LYS C C 49 175.979 177.905 -1.926 1
1 562 . 18 1 1 A 49 49 LYS CA C 49 56.100 55.184 0.916 1
1 563 . 18 1 1 A 49 49 LYS CB C 49 33.090 34.276 -1.186 1
1 567 . 18 1 1 A 49 49 LYS N N 49 121.521 122.518 -0.997 1
1 568 . 18 1 1 A 50 50 ALA H H 50 8.250 8.338 -0.088 1
1 569 . 18 1 1 A 50 50 ALA HA H 50 4.264 4.288 -0.024 1
1 573 . 18 1 1 A 50 50 ALA C C 50 177.617 177.339 0.278 1
1 574 . 18 1 1 A 50 50 ALA CA C 50 52.490 52.739 -0.249 1
1 575 . 18 1 1 A 50 50 ALA CB C 50 19.420 18.868 0.552 1
1 576 . 18 1 1 A 50 50 ALA N N 50 125.681 122.965 2.716 1
1 577 . 18 1 1 A 51 51 LYS H H 51 8.279 7.547 0.732 1
1 578 . 18 1 1 A 51 51 LYS HA H 51 4.296 4.214 0.082 1
1 585 . 18 1 1 A 51 51 LYS C C 51 176.562 175.350 1.212 1
1 586 . 18 1 1 A 51 51 LYS CA C 51 56.300 56.907 -0.607 1
1 587 . 18 1 1 A 51 51 LYS CB C 51 33.090 32.536 0.554 1
1 591 . 18 1 1 A 51 51 LYS N N 51 121.304 121.096 0.208 1
1 592 . 18 1 1 A 52 52 LYS H H 52 8.312 8.678 -0.366 1
1 593 . 18 1 1 A 52 52 LYS HA H 52 4.298 4.493 -0.195 1
1 598 . 18 1 1 A 52 52 LYS C C 52 176.530 175.128 1.402 1
1 599 . 18 1 1 A 52 52 LYS CA C 52 56.140 56.156 -0.016 1
1 600 . 18 1 1 A 52 52 LYS CB C 52 33.180 35.418 -2.238 1
1 603 . 18 1 1 A 52 52 LYS N N 52 123.129 126.021 -2.892 1
1 604 . 18 1 1 A 53 53 SER H H 53 8.309 9.291 -0.982 1
1 605 . 18 1 1 A 53 53 SER HA H 53 4.399 4.015 0.384 1
1 608 . 18 1 1 A 53 53 SER C C 53 174.531 173.733 0.798 1
1 609 . 18 1 1 A 53 53 SER CA C 53 58.140 59.124 -0.984 1
1 610 . 18 1 1 A 53 53 SER CB C 53 63.780 61.961 1.819 1
1 611 . 18 1 1 A 53 53 SER N N 53 117.625 121.048 -3.423 1
1 612 . 18 1 1 A 54 54 LYS H H 54 8.409 8.523 -0.114 1
1 613 . 18 1 1 A 54 54 LYS HA H 54 4.338 4.332 0.006 1
1 618 . 18 1 1 A 54 54 LYS CA C 54 56.650 56.669 -0.019 1
1 619 . 18 1 1 A 54 54 LYS CB C 54 32.920 31.901 1.019 1
1 621 . 18 1 1 A 54 54 LYS N N 54 123.196 129.940 -6.744 1
1 16 . 19 1 1 A 2 2 GLN H H 2 8.326 7.857 0.469 1
1 17 . 19 1 1 A 2 2 GLN HA H 2 4.252 4.839 -0.587 1
1 18 . 19 1 1 A 2 2 GLN CA C 2 55.970 54.640 1.330 1
1 19 . 19 1 1 A 2 2 GLN CB C 2 29.990 32.151 -2.161 1
1 20 . 19 1 1 A 2 2 GLN N N 2 123.332 115.774 7.558 1
1 21 . 19 1 1 A 3 3 LYS HA H 3 4.229 4.764 -0.535 1
1 22 . 19 1 1 A 3 3 LYS C C 3 176.404 175.526 0.878 1
1 23 . 19 1 1 A 3 3 LYS CA C 3 56.570 54.430 2.140 1
1 24 . 19 1 1 A 3 3 LYS CB C 3 32.880 34.938 -2.058 1
1 25 . 19 1 1 A 4 4 ARG H H 4 8.303 8.474 -0.171 1
1 26 . 19 1 1 A 4 4 ARG HA H 4 4.237 4.322 -0.085 1
1 33 . 19 1 1 A 4 4 ARG C C 4 176.656 175.047 1.609 1
1 34 . 19 1 1 A 4 4 ARG CA C 4 56.420 56.021 0.399 1
1 35 . 19 1 1 A 4 4 ARG CB C 4 30.910 29.713 1.197 1
1 38 . 19 1 1 A 4 4 ARG N N 4 122.770 122.715 0.055 1
1 39 . 19 1 1 A 5 5 GLU H H 5 8.472 8.532 -0.060 1
1 40 . 19 1 1 A 5 5 GLU HA H 5 4.201 4.446 -0.245 1
1 45 . 19 1 1 A 5 5 GLU C C 5 176.137 176.225 -0.088 1
1 46 . 19 1 1 A 5 5 GLU CA C 5 56.650 57.786 -1.136 1
1 47 . 19 1 1 A 5 5 GLU CB C 5 30.400 30.747 -0.347 1
1 49 . 19 1 1 A 5 5 GLU N N 5 121.724 126.969 -5.245 1
1 50 . 19 1 1 A 6 6 LEU H H 6 8.127 8.072 0.055 1
1 51 . 19 1 1 A 6 6 LEU HA H 6 4.200 4.489 -0.289 1
1 61 . 19 1 1 A 6 6 LEU C C 6 176.782 175.562 1.220 1
1 62 . 19 1 1 A 6 6 LEU CA C 6 55.200 54.105 1.095 1
1 63 . 19 1 1 A 6 6 LEU CB C 6 42.520 40.982 1.538 1
1 67 . 19 1 1 A 6 6 LEU N N 6 122.169 120.354 1.815 1
1 68 . 19 1 1 A 7 7 TYR H H 7 7.943 8.354 -0.411 1
1 69 . 19 1 1 A 7 7 TYR HA H 7 4.636 4.500 0.136 1
1 76 . 19 1 1 A 7 7 TYR C C 7 175.350 175.774 -0.424 1
1 77 . 19 1 1 A 7 7 TYR CA C 7 57.420 59.388 -1.968 1
1 78 . 19 1 1 A 7 7 TYR CB C 7 39.370 39.048 0.322 1
1 81 . 19 1 1 A 7 7 TYR N N 7 119.193 125.334 -6.141 1
1 82 . 19 1 1 A 8 8 GLU H H 8 8.314 8.558 -0.244 1
1 83 . 19 1 1 A 8 8 GLU HA H 8 4.314 4.172 0.142 1
1 88 . 19 1 1 A 8 8 GLU C C 8 175.665 176.245 -0.580 1
1 89 . 19 1 1 A 8 8 GLU CA C 8 55.880 56.760 -0.880 1
1 90 . 19 1 1 A 8 8 GLU CB C 8 31.100 29.845 1.255 1
1 92 . 19 1 1 A 8 8 GLU N N 8 121.754 122.802 -1.048 1
1 93 . 19 1 1 A 9 9 ILE H H 9 8.116 8.398 -0.282 1
1 94 . 19 1 1 A 9 9 ILE HA H 9 4.204 4.514 -0.310 1
1 104 . 19 1 1 A 9 9 ILE C C 9 176.058 175.071 0.987 1
1 105 . 19 1 1 A 9 9 ILE CA C 9 60.640 60.550 0.090 1
1 106 . 19 1 1 A 9 9 ILE CB C 9 38.440 38.507 -0.067 1
1 110 . 19 1 1 A 9 9 ILE N N 9 121.966 120.883 1.083 1
1 111 . 19 1 1 A 10 10 ALA H H 10 8.472 8.749 -0.277 1
1 112 . 19 1 1 A 10 10 ALA HA H 10 4.342 4.564 -0.222 1
1 116 . 19 1 1 A 10 10 ALA C C 10 177.286 175.940 1.346 1
1 117 . 19 1 1 A 10 10 ALA CA C 10 52.450 51.571 0.879 1
1 118 . 19 1 1 A 10 10 ALA CB C 10 19.420 17.997 1.423 1
1 119 . 19 1 1 A 10 10 ALA N N 10 128.558 130.117 -1.559 1
1 120 . 19 1 1 A 11 11 ASP H H 11 8.423 8.245 0.178 1
1 121 . 19 1 1 A 11 11 ASP HA H 11 4.423 4.973 -0.550 1
1 124 . 19 1 1 A 11 11 ASP C C 11 176.798 174.994 1.804 1
1 125 . 19 1 1 A 11 11 ASP CA C 11 54.780 53.404 1.376 1
1 126 . 19 1 1 A 11 11 ASP CB C 11 40.900 44.348 -3.448 1
1 127 . 19 1 1 A 11 11 ASP N N 11 120.945 123.106 -2.161 1
1 128 . 19 1 1 A 12 12 GLY H H 12 8.263 8.744 -0.481 1
1 129 . 19 1 1 A 12 12 GLY HA2 H 12 3.928 4.052 -0.124 1
1 130 . 19 1 1 A 12 12 GLY HA3 H 12 3.765 4.054 -0.289 1
1 131 . 19 1 1 A 12 12 GLY C C 12 174.326 174.242 0.084 1
1 132 . 19 1 1 A 12 12 GLY CA C 12 45.630 45.560 0.070 1
1 133 . 19 1 1 A 12 12 GLY N N 12 107.572 112.305 -4.733 1
1 134 . 19 1 1 A 13 13 LYS H H 13 7.974 7.961 0.013 1
1 135 . 19 1 1 A 13 13 LYS HA H 13 4.286 4.561 -0.275 1
1 144 . 19 1 1 A 13 13 LYS C C 13 176.105 176.269 -0.164 1
1 145 . 19 1 1 A 13 13 LYS CA C 13 55.970 54.959 1.011 1
1 146 . 19 1 1 A 13 13 LYS CB C 13 33.000 32.889 0.111 1
1 150 . 19 1 1 A 13 13 LYS N N 13 120.339 119.752 0.587 1
1 151 . 19 1 1 A 14 14 LEU H H 14 8.103 8.693 -0.590 1
1 152 . 19 1 1 A 14 14 LEU HA H 14 4.355 3.845 0.510 1
1 162 . 19 1 1 A 14 14 LEU C C 14 177.050 175.970 1.080 1
1 163 . 19 1 1 A 14 14 LEU CA C 14 54.990 55.987 -0.997 1
1 164 . 19 1 1 A 14 14 LEU CB C 14 42.180 40.468 1.712 1
1 168 . 19 1 1 A 14 14 LEU N N 14 122.169 123.141 -0.972 1
1 169 . 19 1 1 A 15 15 VAL H H 15 8.236 7.883 0.353 1
1 170 . 19 1 1 A 15 15 VAL HA H 15 4.090 3.937 0.153 1
1 178 . 19 1 1 A 15 15 VAL C C 15 175.680 176.000 -0.320 1
1 179 . 19 1 1 A 15 15 VAL CA C 15 62.000 63.158 -1.158 1
1 180 . 19 1 1 A 15 15 VAL CB C 15 33.050 32.105 0.945 1
1 182 . 19 1 1 A 15 15 VAL N N 15 122.264 119.715 2.549 1
1 183 . 19 1 1 A 16 16 ARG H H 16 8.293 8.531 -0.238 1
1 184 . 19 1 1 A 16 16 ARG HA H 16 4.187 4.382 -0.195 1
1 191 . 19 1 1 A 16 16 ARG C C 16 175.822 175.005 0.817 1
1 192 . 19 1 1 A 16 16 ARG CA C 16 55.820 56.405 -0.585 1
1 193 . 19 1 1 A 16 16 ARG CB C 16 30.820 30.285 0.535 1
1 196 . 19 1 1 A 16 16 ARG N N 16 124.903 127.074 -2.171 1
1 197 . 19 1 1 A 17 17 LYS H H 17 8.239 9.045 -0.806 1
1 198 . 19 1 1 A 17 17 LYS HA H 17 4.130 4.979 -0.849 1
1 207 . 19 1 1 A 17 17 LYS C C 17 175.995 175.719 0.276 1
1 208 . 19 1 1 A 17 17 LYS CA C 17 56.270 55.195 1.075 1
1 209 . 19 1 1 A 17 17 LYS CB C 17 33.130 33.919 -0.789 1
1 213 . 19 1 1 A 17 17 LYS N N 17 123.108 127.663 -4.555 1
1 214 . 19 1 1 A 18 18 HIS H H 18 8.067 9.146 -1.079 1
1 215 . 19 1 1 A 18 18 HIS HA H 18 4.572 5.068 -0.496 1
1 218 . 19 1 1 A 18 18 HIS C C 18 174.736 174.711 0.025 1
1 219 . 19 1 1 A 18 18 HIS CA C 18 55.460 54.599 0.861 1
1 220 . 19 1 1 A 18 18 HIS CB C 18 31.390 33.832 -2.442 1
1 221 . 19 1 1 A 18 18 HIS N N 18 120.275 122.675 -2.400 1
1 222 . 19 1 1 A 19 19 ARG H H 19 8.767 8.274 0.493 1
1 223 . 19 1 1 A 19 19 ARG HA H 19 4.254 4.567 -0.313 1
1 230 . 19 1 1 A 19 19 ARG C C 19 175.790 175.950 -0.160 1
1 231 . 19 1 1 A 19 19 ARG CA C 19 55.480 56.448 -0.968 1
1 232 . 19 1 1 A 19 19 ARG CB C 19 32.050 31.280 0.770 1
1 235 . 19 1 1 A 19 19 ARG N N 19 122.186 120.204 1.982 1
1 236 . 19 1 1 A 20 20 PHE H H 20 7.866 9.002 -1.136 1
1 237 . 19 1 1 A 20 20 PHE HA H 20 5.296 5.120 0.176 1
1 245 . 19 1 1 A 20 20 PHE C C 20 174.673 174.235 0.438 1
1 246 . 19 1 1 A 20 20 PHE CA C 20 54.520 57.085 -2.565 1
1 247 . 19 1 1 A 20 20 PHE CB C 20 40.050 42.998 -2.948 1
1 251 . 19 1 1 A 20 20 PHE N N 20 120.369 121.720 -1.351 1
1 252 . 19 1 1 A 21 21 CYS H H 21 8.557 8.669 -0.112 1
1 253 . 19 1 1 A 21 21 CYS HA H 21 4.062 4.865 -0.803 1
1 256 . 19 1 1 A 21 21 CYS CA C 21 56.880 55.749 1.131 1
1 257 . 19 1 1 A 21 21 CYS CB C 21 30.710 29.427 1.283 1
1 258 . 19 1 1 A 21 21 CYS N N 21 123.994 120.077 3.917 1
1 259 . 19 1 1 A 22 22 PRO HA H 22 4.211 4.297 -0.086 1
1 266 . 19 1 1 A 22 22 PRO C C 22 177.475 178.714 -1.239 1
1 267 . 19 1 1 A 22 22 PRO CA C 22 64.260 65.653 -1.393 1
1 268 . 19 1 1 A 22 22 PRO CB C 22 31.730 31.659 0.071 1
1 271 . 19 1 1 A 23 23 ARG H H 23 8.569 8.235 0.334 1
1 272 . 19 1 1 A 23 23 ARG HA H 23 4.223 4.110 0.113 1
1 279 . 19 1 1 A 23 23 ARG C C 23 178.246 178.768 -0.522 1
1 280 . 19 1 1 A 23 23 ARG CA C 23 58.030 59.299 -1.269 1
1 281 . 19 1 1 A 23 23 ARG CB C 23 31.240 30.796 0.444 1
1 284 . 19 1 1 A 23 23 ARG N N 23 121.075 118.254 2.821 1
1 285 . 19 1 1 A 24 24 CYS H H 24 9.550 8.374 1.176 1
1 286 . 19 1 1 A 24 24 CYS HA H 24 3.872 4.424 -0.552 1
1 289 . 19 1 1 A 24 24 CYS C C 24 177.302 176.206 1.096 1
1 290 . 19 1 1 A 24 24 CYS CA C 24 63.060 60.949 2.111 1
1 291 . 19 1 1 A 24 24 CYS CB C 24 30.120 27.522 2.598 1
1 292 . 19 1 1 A 24 24 CYS N N 24 123.692 118.900 4.792 1
1 293 . 19 1 1 A 25 25 GLY H H 25 8.166 8.198 -0.032 1
1 294 . 19 1 1 A 25 25 GLY HA2 H 25 4.142 3.804 0.338 1
1 295 . 19 1 1 A 25 25 GLY HA3 H 25 3.623 3.898 -0.275 1
1 296 . 19 1 1 A 25 25 GLY CA C 25 44.640 48.063 -3.423 1
1 297 . 19 1 1 A 25 25 GLY N N 25 107.593 109.313 -1.720 1
1 298 . 19 1 1 A 26 26 PRO HA H 26 2.807 4.221 -1.414 1
1 305 . 19 1 1 A 26 26 PRO C C 26 176.940 177.588 -0.648 1
1 306 . 19 1 1 A 26 26 PRO CA C 26 63.060 63.845 -0.785 1
1 307 . 19 1 1 A 26 26 PRO CB C 26 31.650 31.253 0.397 1
1 310 . 19 1 1 A 27 27 GLY H H 27 6.847 8.567 -1.720 1
1 311 . 19 1 1 A 27 27 GLY HA2 H 27 3.800 3.929 -0.129 1
1 312 . 19 1 1 A 27 27 GLY HA3 H 27 3.334 3.960 -0.626 1
1 313 . 19 1 1 A 27 27 GLY C C 27 172.705 173.965 -1.260 1
1 314 . 19 1 1 A 27 27 GLY CA C 27 44.400 45.329 -0.929 1
1 315 . 19 1 1 A 27 27 GLY N N 27 108.726 112.992 -4.266 1
1 316 . 19 1 1 A 28 28 VAL H H 28 7.416 7.716 -0.300 1
1 317 . 19 1 1 A 28 28 VAL HA H 28 3.964 4.247 -0.283 1
1 325 . 19 1 1 A 28 28 VAL C C 28 174.626 175.218 -0.592 1
1 326 . 19 1 1 A 28 28 VAL CA C 28 62.040 61.610 0.430 1
1 327 . 19 1 1 A 28 28 VAL CB C 28 32.080 32.969 -0.889 1
1 330 . 19 1 1 A 28 28 VAL N N 28 123.159 121.995 1.164 1
1 331 . 19 1 1 A 29 29 PHE H H 29 8.484 9.113 -0.629 1
1 332 . 19 1 1 A 29 29 PHE HA H 29 4.905 4.950 -0.045 1
1 340 . 19 1 1 A 29 29 PHE C C 29 177.349 174.897 2.452 1
1 341 . 19 1 1 A 29 29 PHE CA C 29 57.800 56.347 1.453 1
1 342 . 19 1 1 A 29 29 PHE CB C 29 40.050 40.628 -0.578 1
1 346 . 19 1 1 A 29 29 PHE N N 29 124.513 126.209 -1.696 1
1 347 . 19 1 1 A 30 30 LEU H H 30 8.615 8.223 0.392 1
1 348 . 19 1 1 A 30 30 LEU HA H 30 4.425 4.845 -0.420 1
1 358 . 19 1 1 A 30 30 LEU C C 30 176.877 175.833 1.044 1
1 359 . 19 1 1 A 30 30 LEU CA C 30 54.180 54.005 0.175 1
1 360 . 19 1 1 A 30 30 LEU CB C 30 42.470 43.686 -1.216 1
1 364 . 19 1 1 A 30 30 LEU N N 30 120.729 122.274 -1.545 1
1 365 . 19 1 1 A 31 31 ALA H H 31 9.109 8.658 0.451 1
1 366 . 19 1 1 A 31 31 ALA HA H 31 4.502 4.500 0.002 1
1 370 . 19 1 1 A 31 31 ALA C C 31 176.231 176.718 -0.487 1
1 371 . 19 1 1 A 31 31 ALA CA C 31 51.170 52.182 -1.012 1
1 372 . 19 1 1 A 31 31 ALA CB C 31 20.140 18.389 1.751 1
1 373 . 19 1 1 A 31 31 ALA N N 31 126.827 129.774 -2.947 1
1 374 . 19 1 1 A 32 32 GLU H H 32 8.580 8.843 -0.263 1
1 375 . 19 1 1 A 32 32 GLU HA H 32 4.172 4.747 -0.575 1
1 380 . 19 1 1 A 32 32 GLU C C 32 174.736 175.431 -0.695 1
1 381 . 19 1 1 A 32 32 GLU CA C 32 56.140 55.961 0.179 1
1 382 . 19 1 1 A 32 32 GLU CB C 32 30.540 30.473 0.067 1
1 384 . 19 1 1 A 32 32 GLU N N 32 122.632 125.781 -3.149 1
1 385 . 19 1 1 A 33 33 HIS H H 33 8.596 9.114 -0.518 1
1 386 . 19 1 1 A 33 33 HIS HA H 33 4.816 4.924 -0.108 1
1 390 . 19 1 1 A 33 33 HIS CA C 33 53.900 54.863 -0.963 1
1 391 . 19 1 1 A 33 33 HIS CB C 33 33.160 32.890 0.270 1
1 393 . 19 1 1 A 33 33 HIS N N 33 126.719 124.497 2.222 1
1 394 . 19 1 1 A 34 34 ALA HA H 34 4.011 3.885 0.126 1
1 398 . 19 1 1 A 34 34 ALA C C 34 178.514 179.218 -0.704 1
1 399 . 19 1 1 A 34 34 ALA CA C 34 55.850 54.882 0.968 1
1 400 . 19 1 1 A 34 34 ALA CB C 34 18.060 18.481 -0.421 1
1 401 . 19 1 1 A 35 35 ASP H H 35 8.241 7.993 0.248 1
1 402 . 19 1 1 A 35 35 ASP HA H 35 4.737 4.559 0.178 1
1 405 . 19 1 1 A 35 35 ASP C C 35 177.003 176.312 0.691 1
1 406 . 19 1 1 A 35 35 ASP CA C 35 53.040 56.577 -3.537 1
1 407 . 19 1 1 A 35 35 ASP CB C 35 41.840 41.778 0.062 1
1 408 . 19 1 1 A 35 35 ASP N N 35 108.393 115.674 -7.281 1
1 409 . 19 1 1 A 36 36 ARG H H 36 7.175 7.542 -0.367 1
1 410 . 19 1 1 A 36 36 ARG HA H 36 4.940 4.411 0.529 1
1 417 . 19 1 1 A 36 36 ARG C C 36 171.430 172.742 -1.312 1
1 418 . 19 1 1 A 36 36 ARG CA C 36 54.670 54.877 -0.207 1
1 419 . 19 1 1 A 36 36 ARG CB C 36 31.550 31.952 -0.402 1
1 422 . 19 1 1 A 36 36 ARG N N 36 116.403 113.420 2.983 1
1 423 . 19 1 1 A 37 37 TYR H H 37 9.025 8.798 0.227 1
1 424 . 19 1 1 A 37 37 TYR HA H 37 5.546 5.656 -0.110 1
1 431 . 19 1 1 A 37 37 TYR C C 37 176.027 174.431 1.596 1
1 432 . 19 1 1 A 37 37 TYR CA C 37 56.400 56.243 0.157 1
1 433 . 19 1 1 A 37 37 TYR CB C 37 41.830 41.110 0.720 1
1 436 . 19 1 1 A 37 37 TYR N N 37 118.099 117.683 0.416 1
1 437 . 19 1 1 A 38 38 SER H H 38 9.208 9.148 0.060 1
1 438 . 19 1 1 A 38 38 SER HA H 38 5.675 5.576 0.099 1
1 441 . 19 1 1 A 38 38 SER C C 38 172.862 172.465 0.397 1
1 442 . 19 1 1 A 38 38 SER CA C 38 57.200 56.559 0.641 1
1 443 . 19 1 1 A 38 38 SER CB C 38 67.430 66.379 1.051 1
1 444 . 19 1 1 A 38 38 SER N N 38 114.608 116.434 -1.826 1
1 445 . 19 1 1 A 39 39 CYS H H 39 9.403 8.322 1.081 1
1 446 . 19 1 1 A 39 39 CYS HA H 39 4.781 5.000 -0.219 1
1 449 . 19 1 1 A 39 39 CYS C C 39 177.931 174.394 3.537 1
1 450 . 19 1 1 A 39 39 CYS CA C 39 58.680 57.758 0.922 1
1 451 . 19 1 1 A 39 39 CYS CB C 39 32.710 31.265 1.445 1
1 452 . 19 1 1 A 39 39 CYS N N 39 127.346 122.176 5.170 1
1 453 . 19 1 1 A 40 40 GLY H H 40 9.147 8.592 0.555 1
1 454 . 19 1 1 A 40 40 GLY HA2 H 40 4.053 3.980 0.073 1
1 455 . 19 1 1 A 40 40 GLY HA3 H 40 3.875 4.000 -0.125 1
1 456 . 19 1 1 A 40 40 GLY C C 40 173.602 175.070 -1.468 1
1 457 . 19 1 1 A 40 40 GLY CA C 40 46.270 44.730 1.540 1
1 458 . 19 1 1 A 40 40 GLY N N 40 119.366 114.253 5.113 1
1 459 . 19 1 1 A 41 41 ARG H H 41 9.279 8.787 0.492 1
1 460 . 19 1 1 A 41 41 ARG HA H 41 4.362 3.902 0.460 1
1 467 . 19 1 1 A 41 41 ARG C C 41 177.601 175.974 1.627 1
1 468 . 19 1 1 A 41 41 ARG CA C 41 58.200 58.480 -0.280 1
1 469 . 19 1 1 A 41 41 ARG CB C 41 30.980 28.011 2.969 1
1 472 . 19 1 1 A 41 41 ARG N N 41 123.467 116.726 6.741 1
1 473 . 19 1 1 A 42 42 CYS H H 42 8.759 8.161 0.598 1
1 474 . 19 1 1 A 42 42 CYS HA H 42 4.944 4.635 0.309 1
1 477 . 19 1 1 A 42 42 CYS C C 42 177.160 176.111 1.049 1
1 478 . 19 1 1 A 42 42 CYS CA C 42 58.390 58.449 -0.059 1
1 479 . 19 1 1 A 42 42 CYS CB C 42 33.600 29.712 3.888 1
1 480 . 19 1 1 A 42 42 CYS N N 42 118.328 114.107 4.221 1
1 481 . 19 1 1 A 43 43 GLY H H 43 7.686 7.912 -0.226 1
1 482 . 19 1 1 A 43 43 GLY HA2 H 43 4.251 3.915 0.336 1
1 483 . 19 1 1 A 43 43 GLY HA3 H 43 3.782 3.915 -0.133 1
1 484 . 19 1 1 A 43 43 GLY C C 43 174.122 174.090 0.032 1
1 485 . 19 1 1 A 43 43 GLY CA C 43 46.100 46.145 -0.045 1
1 486 . 19 1 1 A 43 43 GLY N N 43 112.843 110.610 2.233 1
1 487 . 19 1 1 A 44 44 TYR H H 44 9.285 7.701 1.584 1
1 488 . 19 1 1 A 44 44 TYR HA H 44 4.109 4.374 -0.265 1
1 495 . 19 1 1 A 44 44 TYR C C 44 174.248 174.845 -0.597 1
1 496 . 19 1 1 A 44 44 TYR CA C 44 60.680 58.839 1.841 1
1 497 . 19 1 1 A 44 44 TYR CB C 44 39.840 39.045 0.795 1
1 500 . 19 1 1 A 44 44 TYR N N 44 127.411 121.626 5.785 1
1 501 . 19 1 1 A 45 45 THR H H 45 7.572 8.339 -0.767 1
1 502 . 19 1 1 A 45 45 THR HA H 45 4.763 5.263 -0.500 1
1 507 . 19 1 1 A 45 45 THR C C 45 171.635 173.208 -1.573 1
1 508 . 19 1 1 A 45 45 THR CA C 45 60.820 60.603 0.217 1
1 509 . 19 1 1 A 45 45 THR CB C 45 72.660 71.338 1.322 1
1 511 . 19 1 1 A 45 45 THR N N 45 122.481 123.950 -1.469 1
1 512 . 19 1 1 A 46 46 GLU H H 46 8.456 8.636 -0.180 1
1 513 . 19 1 1 A 46 46 GLU HA H 46 4.430 4.552 -0.122 1
1 518 . 19 1 1 A 46 46 GLU C C 46 175.240 175.243 -0.003 1
1 519 . 19 1 1 A 46 46 GLU CA C 46 54.100 55.870 -1.770 1
1 520 . 19 1 1 A 46 46 GLU CB C 46 33.180 32.864 0.316 1
1 522 . 19 1 1 A 46 46 GLU N N 46 124.924 126.455 -1.531 1
1 523 . 19 1 1 A 47 47 PHE H H 47 9.084 8.565 0.519 1
1 524 . 19 1 1 A 47 47 PHE HA H 47 4.417 4.492 -0.075 1
1 529 . 19 1 1 A 47 47 PHE C C 47 176.987 176.680 0.307 1
1 530 . 19 1 1 A 47 47 PHE CA C 47 59.920 59.595 0.325 1
1 531 . 19 1 1 A 47 47 PHE CB C 47 39.420 39.208 0.212 1
1 533 . 19 1 1 A 47 47 PHE N N 47 125.357 125.885 -0.528 1
1 534 . 19 1 1 A 48 48 LYS H H 48 8.082 8.992 -0.910 1
1 535 . 19 1 1 A 48 48 LYS HA H 48 4.233 4.223 0.010 1
1 544 . 19 1 1 A 48 48 LYS C C 48 176.278 177.472 -1.194 1
1 545 . 19 1 1 A 48 48 LYS CA C 48 57.670 59.063 -1.393 1
1 546 . 19 1 1 A 48 48 LYS CB C 48 33.900 32.025 1.875 1
1 550 . 19 1 1 A 48 48 LYS N N 48 122.654 123.864 -1.210 1
1 551 . 19 1 1 A 49 49 LYS H H 49 8.475 7.990 0.485 1
1 552 . 19 1 1 A 49 49 LYS HA H 49 4.299 4.591 -0.292 1
1 561 . 19 1 1 A 49 49 LYS C C 49 175.979 177.199 -1.220 1
1 562 . 19 1 1 A 49 49 LYS CA C 49 56.100 55.354 0.746 1
1 563 . 19 1 1 A 49 49 LYS CB C 49 33.090 32.165 0.925 1
1 567 . 19 1 1 A 49 49 LYS N N 49 121.521 116.288 5.233 1
1 568 . 19 1 1 A 50 50 ALA H H 50 8.250 8.009 0.241 1
1 569 . 19 1 1 A 50 50 ALA HA H 50 4.264 4.572 -0.308 1
1 573 . 19 1 1 A 50 50 ALA C C 50 177.617 178.126 -0.509 1
1 574 . 19 1 1 A 50 50 ALA CA C 50 52.490 51.945 0.545 1
1 575 . 19 1 1 A 50 50 ALA CB C 50 19.420 19.370 0.050 1
1 576 . 19 1 1 A 50 50 ALA N N 50 125.681 122.765 2.916 1
1 577 . 19 1 1 A 51 51 LYS H H 51 8.279 7.865 0.414 1
1 578 . 19 1 1 A 51 51 LYS HA H 51 4.296 4.284 0.012 1
1 585 . 19 1 1 A 51 51 LYS C C 51 176.562 176.750 -0.188 1
1 586 . 19 1 1 A 51 51 LYS CA C 51 56.300 58.201 -1.901 1
1 587 . 19 1 1 A 51 51 LYS CB C 51 33.090 32.801 0.289 1
1 591 . 19 1 1 A 51 51 LYS N N 51 121.304 118.808 2.496 1
1 592 . 19 1 1 A 52 52 LYS H H 52 8.312 7.843 0.469 1
1 593 . 19 1 1 A 52 52 LYS HA H 52 4.298 4.542 -0.244 1
1 598 . 19 1 1 A 52 52 LYS C C 52 176.530 175.154 1.376 1
1 599 . 19 1 1 A 52 52 LYS CA C 52 56.140 55.189 0.951 1
1 600 . 19 1 1 A 52 52 LYS CB C 52 33.180 33.267 -0.087 1
1 603 . 19 1 1 A 52 52 LYS N N 52 123.129 119.147 3.982 1
1 604 . 19 1 1 A 53 53 SER H H 53 8.309 8.508 -0.199 1
1 605 . 19 1 1 A 53 53 SER HA H 53 4.399 4.354 0.045 1
1 608 . 19 1 1 A 53 53 SER C C 53 174.531 174.298 0.233 1
1 609 . 19 1 1 A 53 53 SER CA C 53 58.140 60.159 -2.019 1
1 610 . 19 1 1 A 53 53 SER CB C 53 63.780 63.144 0.636 1
1 611 . 19 1 1 A 53 53 SER N N 53 117.625 119.990 -2.365 1
1 612 . 19 1 1 A 54 54 LYS H H 54 8.409 8.718 -0.309 1
1 613 . 19 1 1 A 54 54 LYS HA H 54 4.338 4.578 -0.240 1
1 618 . 19 1 1 A 54 54 LYS CA C 54 56.650 56.565 0.085 1
1 619 . 19 1 1 A 54 54 LYS CB C 54 32.920 32.646 0.274 1
1 621 . 19 1 1 A 54 54 LYS N N 54 123.196 128.178 -4.982 1
1 16 . 20 1 1 A 2 2 GLN H H 2 8.326 9.000 -0.674 1
1 17 . 20 1 1 A 2 2 GLN HA H 2 4.252 5.076 -0.824 1
1 18 . 20 1 1 A 2 2 GLN CA C 2 55.970 54.189 1.781 1
1 19 . 20 1 1 A 2 2 GLN CB C 2 29.990 31.381 -1.391 1
1 20 . 20 1 1 A 2 2 GLN N N 2 123.332 125.355 -2.023 1
1 21 . 20 1 1 A 3 3 LYS HA H 3 4.229 4.599 -0.370 1
1 22 . 20 1 1 A 3 3 LYS C C 3 176.404 176.079 0.325 1
1 23 . 20 1 1 A 3 3 LYS CA C 3 56.570 55.718 0.852 1
1 24 . 20 1 1 A 3 3 LYS CB C 3 32.880 33.504 -0.624 1
1 25 . 20 1 1 A 4 4 ARG H H 4 8.303 7.401 0.902 1
1 26 . 20 1 1 A 4 4 ARG HA H 4 4.237 4.389 -0.152 1
1 33 . 20 1 1 A 4 4 ARG C C 4 176.656 176.120 0.536 1
1 34 . 20 1 1 A 4 4 ARG CA C 4 56.420 55.789 0.631 1
1 35 . 20 1 1 A 4 4 ARG CB C 4 30.910 31.089 -0.179 1
1 38 . 20 1 1 A 4 4 ARG N N 4 122.770 120.436 2.334 1
1 39 . 20 1 1 A 5 5 GLU H H 5 8.472 8.910 -0.438 1
1 40 . 20 1 1 A 5 5 GLU HA H 5 4.201 3.932 0.269 1
1 45 . 20 1 1 A 5 5 GLU C C 5 176.137 175.203 0.934 1
1 46 . 20 1 1 A 5 5 GLU CA C 5 56.650 57.096 -0.446 1
1 47 . 20 1 1 A 5 5 GLU CB C 5 30.400 26.929 3.471 1
1 49 . 20 1 1 A 5 5 GLU N N 5 121.724 118.132 3.592 1
1 50 . 20 1 1 A 6 6 LEU H H 6 8.127 8.016 0.111 1
1 51 . 20 1 1 A 6 6 LEU HA H 6 4.200 4.322 -0.122 1
1 61 . 20 1 1 A 6 6 LEU C C 6 176.782 174.907 1.875 1
1 62 . 20 1 1 A 6 6 LEU CA C 6 55.200 54.123 1.077 1
1 63 . 20 1 1 A 6 6 LEU CB C 6 42.520 39.889 2.631 1
1 67 . 20 1 1 A 6 6 LEU N N 6 122.169 120.431 1.738 1
1 68 . 20 1 1 A 7 7 TYR H H 7 7.943 7.929 0.014 1
1 69 . 20 1 1 A 7 7 TYR HA H 7 4.636 5.210 -0.574 1
1 76 . 20 1 1 A 7 7 TYR C C 7 175.350 173.881 1.469 1
1 77 . 20 1 1 A 7 7 TYR CA C 7 57.420 55.514 1.906 1
1 78 . 20 1 1 A 7 7 TYR CB C 7 39.370 40.886 -1.516 1
1 81 . 20 1 1 A 7 7 TYR N N 7 119.193 120.057 -0.864 1
1 82 . 20 1 1 A 8 8 GLU H H 8 8.314 8.471 -0.157 1
1 83 . 20 1 1 A 8 8 GLU HA H 8 4.314 4.322 -0.008 1
1 88 . 20 1 1 A 8 8 GLU C C 8 175.665 176.553 -0.888 1
1 89 . 20 1 1 A 8 8 GLU CA C 8 55.880 56.760 -0.880 1
1 90 . 20 1 1 A 8 8 GLU CB C 8 31.100 30.013 1.087 1
1 92 . 20 1 1 A 8 8 GLU N N 8 121.754 119.550 2.204 1
1 93 . 20 1 1 A 9 9 ILE H H 9 8.116 8.553 -0.437 1
1 94 . 20 1 1 A 9 9 ILE HA H 9 4.204 4.114 0.090 1
1 104 . 20 1 1 A 9 9 ILE C C 9 176.058 176.240 -0.182 1
1 105 . 20 1 1 A 9 9 ILE CA C 9 60.640 62.251 -1.611 1
1 106 . 20 1 1 A 9 9 ILE CB C 9 38.440 38.336 0.104 1
1 110 . 20 1 1 A 9 9 ILE N N 9 121.966 124.169 -2.203 1
1 111 . 20 1 1 A 10 10 ALA H H 10 8.472 8.350 0.122 1
1 112 . 20 1 1 A 10 10 ALA HA H 10 4.342 4.388 -0.046 1
1 116 . 20 1 1 A 10 10 ALA C C 10 177.286 176.351 0.935 1
1 117 . 20 1 1 A 10 10 ALA CA C 10 52.450 52.779 -0.329 1
1 118 . 20 1 1 A 10 10 ALA CB C 10 19.420 19.004 0.416 1
1 119 . 20 1 1 A 10 10 ALA N N 10 128.558 129.351 -0.793 1
1 120 . 20 1 1 A 11 11 ASP H H 11 8.423 8.704 -0.281 1
1 121 . 20 1 1 A 11 11 ASP HA H 11 4.423 5.409 -0.986 1
1 124 . 20 1 1 A 11 11 ASP C C 11 176.798 175.210 1.588 1
1 125 . 20 1 1 A 11 11 ASP CA C 11 54.780 52.556 2.224 1
1 126 . 20 1 1 A 11 11 ASP CB C 11 40.900 44.398 -3.498 1
1 127 . 20 1 1 A 11 11 ASP N N 11 120.945 124.740 -3.795 1
1 128 . 20 1 1 A 12 12 GLY H H 12 8.263 8.960 -0.697 1
1 129 . 20 1 1 A 12 12 GLY HA2 H 12 3.928 3.949 -0.021 1
1 130 . 20 1 1 A 12 12 GLY HA3 H 12 3.765 3.951 -0.186 1
1 131 . 20 1 1 A 12 12 GLY C C 12 174.326 172.678 1.648 1
1 132 . 20 1 1 A 12 12 GLY CA C 12 45.630 46.257 -0.627 1
1 133 . 20 1 1 A 12 12 GLY N N 12 107.572 113.696 -6.124 1
1 134 . 20 1 1 A 13 13 LYS H H 13 7.974 8.394 -0.420 1
1 135 . 20 1 1 A 13 13 LYS HA H 13 4.286 4.925 -0.639 1
1 144 . 20 1 1 A 13 13 LYS C C 13 176.105 175.553 0.552 1
1 145 . 20 1 1 A 13 13 LYS CA C 13 55.970 54.563 1.407 1
1 146 . 20 1 1 A 13 13 LYS CB C 13 33.000 35.879 -2.879 1
1 150 . 20 1 1 A 13 13 LYS N N 13 120.339 125.834 -5.495 1
1 151 . 20 1 1 A 14 14 LEU H H 14 8.103 8.563 -0.460 1
1 152 . 20 1 1 A 14 14 LEU HA H 14 4.355 4.626 -0.271 1
1 162 . 20 1 1 A 14 14 LEU C C 14 177.050 176.278 0.772 1
1 163 . 20 1 1 A 14 14 LEU CA C 14 54.990 54.551 0.439 1
1 164 . 20 1 1 A 14 14 LEU CB C 14 42.180 42.997 -0.817 1
1 168 . 20 1 1 A 14 14 LEU N N 14 122.169 126.914 -4.745 1
1 169 . 20 1 1 A 15 15 VAL H H 15 8.236 8.318 -0.082 1
1 170 . 20 1 1 A 15 15 VAL HA H 15 4.090 4.052 0.038 1
1 178 . 20 1 1 A 15 15 VAL C C 15 175.680 176.010 -0.330 1
1 179 . 20 1 1 A 15 15 VAL CA C 15 62.000 62.239 -0.239 1
1 180 . 20 1 1 A 15 15 VAL CB C 15 33.050 32.464 0.586 1
1 182 . 20 1 1 A 15 15 VAL N N 15 122.264 125.212 -2.948 1
1 183 . 20 1 1 A 16 16 ARG H H 16 8.293 9.024 -0.731 1
1 184 . 20 1 1 A 16 16 ARG HA H 16 4.187 5.003 -0.816 1
1 191 . 20 1 1 A 16 16 ARG C C 16 175.822 175.991 -0.169 1
1 192 . 20 1 1 A 16 16 ARG CA C 16 55.820 53.918 1.902 1
1 193 . 20 1 1 A 16 16 ARG CB C 16 30.820 33.919 -3.099 1
1 196 . 20 1 1 A 16 16 ARG N N 16 124.903 123.412 1.491 1
1 197 . 20 1 1 A 17 17 LYS H H 17 8.239 8.399 -0.160 1
1 198 . 20 1 1 A 17 17 LYS HA H 17 4.130 4.428 -0.298 1
1 207 . 20 1 1 A 17 17 LYS C C 17 175.995 175.548 0.447 1
1 208 . 20 1 1 A 17 17 LYS CA C 17 56.270 55.691 0.579 1
1 209 . 20 1 1 A 17 17 LYS CB C 17 33.130 31.931 1.199 1
1 213 . 20 1 1 A 17 17 LYS N N 17 123.108 122.057 1.051 1
1 214 . 20 1 1 A 18 18 HIS H H 18 8.067 8.576 -0.509 1
1 215 . 20 1 1 A 18 18 HIS HA H 18 4.572 4.768 -0.196 1
1 218 . 20 1 1 A 18 18 HIS C C 18 174.736 174.295 0.441 1
1 219 . 20 1 1 A 18 18 HIS CA C 18 55.460 55.331 0.129 1
1 220 . 20 1 1 A 18 18 HIS CB C 18 31.390 28.000 3.390 1
1 221 . 20 1 1 A 18 18 HIS N N 18 120.275 124.666 -4.391 1
1 222 . 20 1 1 A 19 19 ARG H H 19 8.767 8.164 0.603 1
1 223 . 20 1 1 A 19 19 ARG HA H 19 4.254 4.121 0.133 1
1 230 . 20 1 1 A 19 19 ARG C C 19 175.790 175.682 0.108 1
1 231 . 20 1 1 A 19 19 ARG CA C 19 55.480 55.945 -0.465 1
1 232 . 20 1 1 A 19 19 ARG CB C 19 32.050 31.367 0.683 1
1 235 . 20 1 1 A 19 19 ARG N N 19 122.186 123.767 -1.581 1
1 236 . 20 1 1 A 20 20 PHE H H 20 7.866 8.654 -0.788 1
1 237 . 20 1 1 A 20 20 PHE HA H 20 5.296 4.914 0.382 1
1 245 . 20 1 1 A 20 20 PHE C C 20 174.673 175.496 -0.823 1
1 246 . 20 1 1 A 20 20 PHE CA C 20 54.520 57.706 -3.186 1
1 247 . 20 1 1 A 20 20 PHE CB C 20 40.050 41.149 -1.099 1
1 251 . 20 1 1 A 20 20 PHE N N 20 120.369 119.381 0.988 1
1 252 . 20 1 1 A 21 21 CYS H H 21 8.557 8.489 0.068 1
1 253 . 20 1 1 A 21 21 CYS HA H 21 4.062 4.445 -0.383 1
1 256 . 20 1 1 A 21 21 CYS CA C 21 56.880 56.626 0.254 1
1 257 . 20 1 1 A 21 21 CYS CB C 21 30.710 28.333 2.377 1
1 258 . 20 1 1 A 21 21 CYS N N 21 123.994 120.278 3.716 1
1 259 . 20 1 1 A 22 22 PRO HA H 22 4.211 4.288 -0.077 1
1 266 . 20 1 1 A 22 22 PRO C C 22 177.475 178.702 -1.227 1
1 267 . 20 1 1 A 22 22 PRO CA C 22 64.260 65.670 -1.410 1
1 268 . 20 1 1 A 22 22 PRO CB C 22 31.730 31.475 0.255 1
1 271 . 20 1 1 A 23 23 ARG H H 23 8.569 8.306 0.263 1
1 272 . 20 1 1 A 23 23 ARG HA H 23 4.223 4.079 0.144 1
1 279 . 20 1 1 A 23 23 ARG C C 23 178.246 177.740 0.506 1
1 280 . 20 1 1 A 23 23 ARG CA C 23 58.030 58.377 -0.347 1
1 281 . 20 1 1 A 23 23 ARG CB C 23 31.240 30.548 0.692 1
1 284 . 20 1 1 A 23 23 ARG N N 23 121.075 117.760 3.315 1
1 285 . 20 1 1 A 24 24 CYS H H 24 9.550 8.189 1.361 1
1 286 . 20 1 1 A 24 24 CYS HA H 24 3.872 4.484 -0.612 1
1 289 . 20 1 1 A 24 24 CYS C C 24 177.302 175.965 1.337 1
1 290 . 20 1 1 A 24 24 CYS CA C 24 63.060 60.215 2.845 1
1 291 . 20 1 1 A 24 24 CYS CB C 24 30.120 27.218 2.902 1
1 292 . 20 1 1 A 24 24 CYS N N 24 123.692 117.717 5.975 1
1 293 . 20 1 1 A 25 25 GLY H H 25 8.166 8.220 -0.054 1
1 294 . 20 1 1 A 25 25 GLY HA2 H 25 4.142 3.810 0.332 1
1 295 . 20 1 1 A 25 25 GLY HA3 H 25 3.623 3.860 -0.237 1
1 296 . 20 1 1 A 25 25 GLY CA C 25 44.640 48.070 -3.430 1
1 297 . 20 1 1 A 25 25 GLY N N 25 107.593 109.610 -2.017 1
1 298 . 20 1 1 A 26 26 PRO HA H 26 2.807 4.228 -1.421 1
1 305 . 20 1 1 A 26 26 PRO C C 26 176.940 177.529 -0.589 1
1 306 . 20 1 1 A 26 26 PRO CA C 26 63.060 63.056 0.004 1
1 307 . 20 1 1 A 26 26 PRO CB C 26 31.650 29.648 2.002 1
1 310 . 20 1 1 A 27 27 GLY H H 27 6.847 8.723 -1.876 1
1 311 . 20 1 1 A 27 27 GLY HA2 H 27 3.800 3.984 -0.184 1
1 312 . 20 1 1 A 27 27 GLY HA3 H 27 3.334 3.987 -0.653 1
1 313 . 20 1 1 A 27 27 GLY C C 27 172.705 173.500 -0.795 1
1 314 . 20 1 1 A 27 27 GLY CA C 27 44.400 45.227 -0.827 1
1 315 . 20 1 1 A 27 27 GLY N N 27 108.726 112.987 -4.261 1
1 316 . 20 1 1 A 28 28 VAL H H 28 7.416 7.973 -0.557 1
1 317 . 20 1 1 A 28 28 VAL HA H 28 3.964 4.577 -0.613 1
1 325 . 20 1 1 A 28 28 VAL C C 28 174.626 175.659 -1.033 1
1 326 . 20 1 1 A 28 28 VAL CA C 28 62.040 61.220 0.820 1
1 327 . 20 1 1 A 28 28 VAL CB C 28 32.080 34.089 -2.009 1
1 330 . 20 1 1 A 28 28 VAL N N 28 123.159 121.695 1.464 1
1 331 . 20 1 1 A 29 29 PHE H H 29 8.484 9.354 -0.870 1
1 332 . 20 1 1 A 29 29 PHE HA H 29 4.905 5.171 -0.266 1
1 340 . 20 1 1 A 29 29 PHE C C 29 177.349 174.802 2.547 1
1 341 . 20 1 1 A 29 29 PHE CA C 29 57.800 56.831 0.969 1
1 342 . 20 1 1 A 29 29 PHE CB C 29 40.050 40.707 -0.657 1
1 346 . 20 1 1 A 29 29 PHE N N 29 124.513 125.952 -1.439 1
1 347 . 20 1 1 A 30 30 LEU H H 30 8.615 8.861 -0.246 1
1 348 . 20 1 1 A 30 30 LEU HA H 30 4.425 4.670 -0.245 1
1 358 . 20 1 1 A 30 30 LEU C C 30 176.877 175.138 1.739 1
1 359 . 20 1 1 A 30 30 LEU CA C 30 54.180 54.019 0.161 1
1 360 . 20 1 1 A 30 30 LEU CB C 30 42.470 44.768 -2.298 1
1 364 . 20 1 1 A 30 30 LEU N N 30 120.729 120.907 -0.178 1
1 365 . 20 1 1 A 31 31 ALA H H 31 9.109 8.435 0.674 1
1 366 . 20 1 1 A 31 31 ALA HA H 31 4.502 4.740 -0.238 1
1 370 . 20 1 1 A 31 31 ALA C C 31 176.231 176.979 -0.748 1
1 371 . 20 1 1 A 31 31 ALA CA C 31 51.170 52.878 -1.708 1
1 372 . 20 1 1 A 31 31 ALA CB C 31 20.140 19.084 1.056 1
1 373 . 20 1 1 A 31 31 ALA N N 31 126.827 130.391 -3.564 1
1 374 . 20 1 1 A 32 32 GLU H H 32 8.580 8.821 -0.241 1
1 375 . 20 1 1 A 32 32 GLU HA H 32 4.172 4.741 -0.569 1
1 380 . 20 1 1 A 32 32 GLU C C 32 174.736 175.262 -0.526 1
1 381 . 20 1 1 A 32 32 GLU CA C 32 56.140 55.523 0.617 1
1 382 . 20 1 1 A 32 32 GLU CB C 32 30.540 30.663 -0.123 1
1 384 . 20 1 1 A 32 32 GLU N N 32 122.632 125.266 -2.634 1
1 385 . 20 1 1 A 33 33 HIS H H 33 8.596 9.107 -0.511 1
1 386 . 20 1 1 A 33 33 HIS HA H 33 4.816 4.819 -0.003 1
1 390 . 20 1 1 A 33 33 HIS CA C 33 53.900 54.544 -0.644 1
1 391 . 20 1 1 A 33 33 HIS CB C 33 33.160 33.159 0.001 1
1 393 . 20 1 1 A 33 33 HIS N N 33 126.719 124.133 2.586 1
1 394 . 20 1 1 A 34 34 ALA HA H 34 4.011 3.884 0.127 1
1 398 . 20 1 1 A 34 34 ALA C C 34 178.514 179.076 -0.562 1
1 399 . 20 1 1 A 34 34 ALA CA C 34 55.850 54.804 1.046 1
1 400 . 20 1 1 A 34 34 ALA CB C 34 18.060 18.479 -0.419 1
1 401 . 20 1 1 A 35 35 ASP H H 35 8.241 8.006 0.235 1
1 402 . 20 1 1 A 35 35 ASP HA H 35 4.737 4.580 0.157 1
1 405 . 20 1 1 A 35 35 ASP C C 35 177.003 176.501 0.502 1
1 406 . 20 1 1 A 35 35 ASP CA C 35 53.040 56.451 -3.411 1
1 407 . 20 1 1 A 35 35 ASP CB C 35 41.840 41.796 0.044 1
1 408 . 20 1 1 A 35 35 ASP N N 35 108.393 115.804 -7.411 1
1 409 . 20 1 1 A 36 36 ARG H H 36 7.175 7.581 -0.406 1
1 410 . 20 1 1 A 36 36 ARG HA H 36 4.940 4.467 0.473 1
1 417 . 20 1 1 A 36 36 ARG C C 36 171.430 172.917 -1.487 1
1 418 . 20 1 1 A 36 36 ARG CA C 36 54.670 54.913 -0.243 1
1 419 . 20 1 1 A 36 36 ARG CB C 36 31.550 32.048 -0.498 1
1 422 . 20 1 1 A 36 36 ARG N N 36 116.403 113.373 3.030 1
1 423 . 20 1 1 A 37 37 TYR H H 37 9.025 9.103 -0.078 1
1 424 . 20 1 1 A 37 37 TYR HA H 37 5.546 5.656 -0.110 1
1 431 . 20 1 1 A 37 37 TYR C C 37 176.027 174.598 1.429 1
1 432 . 20 1 1 A 37 37 TYR CA C 37 56.400 56.798 -0.398 1
1 433 . 20 1 1 A 37 37 TYR CB C 37 41.830 41.418 0.412 1
1 436 . 20 1 1 A 37 37 TYR N N 37 118.099 117.969 0.130 1
1 437 . 20 1 1 A 38 38 SER H H 38 9.208 9.163 0.045 1
1 438 . 20 1 1 A 38 38 SER HA H 38 5.675 5.392 0.283 1
1 441 . 20 1 1 A 38 38 SER C C 38 172.862 172.692 0.170 1
1 442 . 20 1 1 A 38 38 SER CA C 38 57.200 56.768 0.432 1
1 443 . 20 1 1 A 38 38 SER CB C 38 67.430 65.370 2.060 1
1 444 . 20 1 1 A 38 38 SER N N 38 114.608 116.447 -1.839 1
1 445 . 20 1 1 A 39 39 CYS H H 39 9.403 8.413 0.990 1
1 446 . 20 1 1 A 39 39 CYS HA H 39 4.781 4.972 -0.191 1
1 449 . 20 1 1 A 39 39 CYS C C 39 177.931 174.404 3.527 1
1 450 . 20 1 1 A 39 39 CYS CA C 39 58.680 57.542 1.138 1
1 451 . 20 1 1 A 39 39 CYS CB C 39 32.710 31.169 1.541 1
1 452 . 20 1 1 A 39 39 CYS N N 39 127.346 124.654 2.692 1
1 453 . 20 1 1 A 40 40 GLY H H 40 9.147 8.534 0.613 1
1 454 . 20 1 1 A 40 40 GLY HA2 H 40 4.053 4.003 0.050 1
1 455 . 20 1 1 A 40 40 GLY HA3 H 40 3.875 4.012 -0.137 1
1 456 . 20 1 1 A 40 40 GLY C C 40 173.602 175.069 -1.467 1
1 457 . 20 1 1 A 40 40 GLY CA C 40 46.270 44.559 1.711 1
1 458 . 20 1 1 A 40 40 GLY N N 40 119.366 114.195 5.171 1
1 459 . 20 1 1 A 41 41 ARG H H 41 9.279 8.932 0.347 1
1 460 . 20 1 1 A 41 41 ARG HA H 41 4.362 4.226 0.136 1
1 467 . 20 1 1 A 41 41 ARG C C 41 177.601 175.864 1.737 1
1 468 . 20 1 1 A 41 41 ARG CA C 41 58.200 57.994 0.206 1
1 469 . 20 1 1 A 41 41 ARG CB C 41 30.980 30.231 0.749 1
1 472 . 20 1 1 A 41 41 ARG N N 41 123.467 120.870 2.597 1
1 473 . 20 1 1 A 42 42 CYS H H 42 8.759 8.160 0.599 1
1 474 . 20 1 1 A 42 42 CYS HA H 42 4.944 4.607 0.337 1
1 477 . 20 1 1 A 42 42 CYS C C 42 177.160 175.809 1.351 1
1 478 . 20 1 1 A 42 42 CYS CA C 42 58.390 58.391 -0.001 1
1 479 . 20 1 1 A 42 42 CYS CB C 42 33.600 29.584 4.016 1
1 480 . 20 1 1 A 42 42 CYS N N 42 118.328 114.153 4.175 1
1 481 . 20 1 1 A 43 43 GLY H H 43 7.686 7.824 -0.138 1
1 482 . 20 1 1 A 43 43 GLY HA2 H 43 4.251 3.912 0.339 1
1 483 . 20 1 1 A 43 43 GLY HA3 H 43 3.782 3.914 -0.132 1
1 484 . 20 1 1 A 43 43 GLY C C 43 174.122 174.080 0.042 1
1 485 . 20 1 1 A 43 43 GLY CA C 43 46.100 46.254 -0.154 1
1 486 . 20 1 1 A 43 43 GLY N N 43 112.843 110.857 1.986 1
1 487 . 20 1 1 A 44 44 TYR H H 44 9.285 8.154 1.131 1
1 488 . 20 1 1 A 44 44 TYR HA H 44 4.109 4.305 -0.196 1
1 495 . 20 1 1 A 44 44 TYR C C 44 174.248 175.041 -0.793 1
1 496 . 20 1 1 A 44 44 TYR CA C 44 60.680 58.230 2.450 1
1 497 . 20 1 1 A 44 44 TYR CB C 44 39.840 38.345 1.495 1
1 500 . 20 1 1 A 44 44 TYR N N 44 127.411 121.466 5.945 1
1 501 . 20 1 1 A 45 45 THR H H 45 7.572 8.640 -1.068 1
1 502 . 20 1 1 A 45 45 THR HA H 45 4.763 5.186 -0.423 1
1 507 . 20 1 1 A 45 45 THR C C 45 171.635 172.759 -1.124 1
1 508 . 20 1 1 A 45 45 THR CA C 45 60.820 61.380 -0.560 1
1 509 . 20 1 1 A 45 45 THR CB C 45 72.660 70.275 2.385 1
1 511 . 20 1 1 A 45 45 THR N N 45 122.481 124.035 -1.554 1
1 512 . 20 1 1 A 46 46 GLU H H 46 8.456 8.498 -0.042 1
1 513 . 20 1 1 A 46 46 GLU HA H 46 4.430 4.714 -0.284 1
1 518 . 20 1 1 A 46 46 GLU C C 46 175.240 175.513 -0.273 1
1 519 . 20 1 1 A 46 46 GLU CA C 46 54.100 54.634 -0.534 1
1 520 . 20 1 1 A 46 46 GLU CB C 46 33.180 33.378 -0.198 1
1 522 . 20 1 1 A 46 46 GLU N N 46 124.924 127.951 -3.027 1
1 523 . 20 1 1 A 47 47 PHE H H 47 9.084 8.451 0.633 1
1 524 . 20 1 1 A 47 47 PHE HA H 47 4.417 4.527 -0.110 1
1 529 . 20 1 1 A 47 47 PHE C C 47 176.987 176.907 0.080 1
1 530 . 20 1 1 A 47 47 PHE CA C 47 59.920 58.606 1.314 1
1 531 . 20 1 1 A 47 47 PHE CB C 47 39.420 39.629 -0.209 1
1 533 . 20 1 1 A 47 47 PHE N N 47 125.357 125.025 0.332 1
1 534 . 20 1 1 A 48 48 LYS H H 48 8.082 9.033 -0.951 1
1 535 . 20 1 1 A 48 48 LYS HA H 48 4.233 4.354 -0.121 1
1 544 . 20 1 1 A 48 48 LYS C C 48 176.278 176.499 -0.221 1
1 545 . 20 1 1 A 48 48 LYS CA C 48 57.670 57.154 0.516 1
1 546 . 20 1 1 A 48 48 LYS CB C 48 33.900 32.138 1.762 1
1 550 . 20 1 1 A 48 48 LYS N N 48 122.654 122.498 0.156 1
1 551 . 20 1 1 A 49 49 LYS H H 49 8.475 7.640 0.835 1
1 552 . 20 1 1 A 49 49 LYS HA H 49 4.299 4.379 -0.080 1
1 561 . 20 1 1 A 49 49 LYS C C 49 175.979 175.051 0.928 1
1 562 . 20 1 1 A 49 49 LYS CA C 49 56.100 56.227 -0.127 1
1 563 . 20 1 1 A 49 49 LYS CB C 49 33.090 32.256 0.834 1
1 567 . 20 1 1 A 49 49 LYS N N 49 121.521 122.417 -0.896 1
1 568 . 20 1 1 A 50 50 ALA H H 50 8.250 8.335 -0.085 1
1 569 . 20 1 1 A 50 50 ALA HA H 50 4.264 4.428 -0.164 1
1 573 . 20 1 1 A 50 50 ALA C C 50 177.617 176.765 0.852 1
1 574 . 20 1 1 A 50 50 ALA CA C 50 52.490 52.477 0.013 1
1 575 . 20 1 1 A 50 50 ALA CB C 50 19.420 18.696 0.724 1
1 576 . 20 1 1 A 50 50 ALA N N 50 125.681 129.296 -3.615 1
1 577 . 20 1 1 A 51 51 LYS H H 51 8.279 9.007 -0.728 1
1 578 . 20 1 1 A 51 51 LYS HA H 51 4.296 4.633 -0.337 1
1 585 . 20 1 1 A 51 51 LYS C C 51 176.562 176.530 0.032 1
1 586 . 20 1 1 A 51 51 LYS CA C 51 56.300 56.821 -0.521 1
1 587 . 20 1 1 A 51 51 LYS CB C 51 33.090 35.330 -2.240 1
1 591 . 20 1 1 A 51 51 LYS N N 51 121.304 123.501 -2.197 1
1 592 . 20 1 1 A 52 52 LYS H H 52 8.312 8.015 0.297 1
1 593 . 20 1 1 A 52 52 LYS HA H 52 4.298 4.793 -0.495 1
1 598 . 20 1 1 A 52 52 LYS C C 52 176.530 175.872 0.658 1
1 599 . 20 1 1 A 52 52 LYS CA C 52 56.140 54.916 1.224 1
1 600 . 20 1 1 A 52 52 LYS CB C 52 33.180 34.477 -1.297 1
1 603 . 20 1 1 A 52 52 LYS N N 52 123.129 119.753 3.376 1
1 604 . 20 1 1 A 53 53 SER H H 53 8.309 8.932 -0.623 1
1 605 . 20 1 1 A 53 53 SER HA H 53 4.399 4.394 0.005 1
1 608 . 20 1 1 A 53 53 SER C C 53 174.531 175.274 -0.743 1
1 609 . 20 1 1 A 53 53 SER CA C 53 58.140 58.697 -0.557 1
1 610 . 20 1 1 A 53 53 SER CB C 53 63.780 63.125 0.655 1
1 611 . 20 1 1 A 53 53 SER N N 53 117.625 123.773 -6.148 1
1 612 . 20 1 1 A 54 54 LYS H H 54 8.409 8.652 -0.243 1
1 613 . 20 1 1 A 54 54 LYS HA H 54 4.338 4.382 -0.044 1
1 618 . 20 1 1 A 54 54 LYS CA C 54 56.650 57.673 -1.023 1
1 619 . 20 1 1 A 54 54 LYS CB C 54 32.920 33.138 -0.218 1
1 621 . 20 1 1 A 54 54 LYS N N 54 123.196 123.874 -0.678 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 48 1.243 1
2 1 1 1 "RMS(OBS, PRED)" CA 53 1.344 1
3 1 1 1 "RMS(OBS, PRED)" CB 48 1.769 1
4 1 1 1 "RMS(OBS, PRED)" H 49 0.650 1
5 1 1 1 "RMS(OBS, PRED)" HA 58 0.438 1
6 1 1 1 "RMS(OBS, PRED)" N 49 3.692 1
7 1 2 1 "RMS(OBS, PRED)" C 48 1.191 1
8 1 2 1 "RMS(OBS, PRED)" CA 53 1.462 1
9 1 2 1 "RMS(OBS, PRED)" CB 48 1.727 1
10 1 2 1 "RMS(OBS, PRED)" H 49 0.637 1
11 1 2 1 "RMS(OBS, PRED)" HA 58 0.402 1
12 1 2 1 "RMS(OBS, PRED)" N 49 3.284 1
13 1 3 1 "RMS(OBS, PRED)" C 48 1.062 1
14 1 3 1 "RMS(OBS, PRED)" CA 53 1.349 1
15 1 3 1 "RMS(OBS, PRED)" CB 48 1.735 1
16 1 3 1 "RMS(OBS, PRED)" H 49 0.635 1
17 1 3 1 "RMS(OBS, PRED)" HA 58 0.406 1
18 1 3 1 "RMS(OBS, PRED)" N 49 3.303 1
19 1 4 1 "RMS(OBS, PRED)" C 48 1.278 1
20 1 4 1 "RMS(OBS, PRED)" CA 53 1.396 1
21 1 4 1 "RMS(OBS, PRED)" CB 48 1.808 1
22 1 4 1 "RMS(OBS, PRED)" H 49 0.619 1
23 1 4 1 "RMS(OBS, PRED)" HA 58 0.416 1
24 1 4 1 "RMS(OBS, PRED)" N 49 3.368 1
25 1 5 1 "RMS(OBS, PRED)" C 48 1.127 1
26 1 5 1 "RMS(OBS, PRED)" CA 53 1.465 1
27 1 5 1 "RMS(OBS, PRED)" CB 48 1.436 1
28 1 5 1 "RMS(OBS, PRED)" H 49 0.540 1
29 1 5 1 "RMS(OBS, PRED)" HA 58 0.414 1
30 1 5 1 "RMS(OBS, PRED)" N 49 3.391 1
31 1 6 1 "RMS(OBS, PRED)" C 48 1.228 1
32 1 6 1 "RMS(OBS, PRED)" CA 53 1.483 1
33 1 6 1 "RMS(OBS, PRED)" CB 48 1.790 1
34 1 6 1 "RMS(OBS, PRED)" H 49 0.597 1
35 1 6 1 "RMS(OBS, PRED)" HA 58 0.376 1
36 1 6 1 "RMS(OBS, PRED)" N 49 2.896 1
37 1 7 1 "RMS(OBS, PRED)" C 48 1.171 1
38 1 7 1 "RMS(OBS, PRED)" CA 53 1.335 1
39 1 7 1 "RMS(OBS, PRED)" CB 48 1.585 1
40 1 7 1 "RMS(OBS, PRED)" H 49 0.622 1
41 1 7 1 "RMS(OBS, PRED)" HA 58 0.399 1
42 1 7 1 "RMS(OBS, PRED)" N 49 3.564 1
43 1 8 1 "RMS(OBS, PRED)" C 48 1.260 1
44 1 8 1 "RMS(OBS, PRED)" CA 53 1.532 1
45 1 8 1 "RMS(OBS, PRED)" CB 48 1.984 1
46 1 8 1 "RMS(OBS, PRED)" H 49 0.635 1
47 1 8 1 "RMS(OBS, PRED)" HA 58 0.384 1
48 1 8 1 "RMS(OBS, PRED)" N 49 3.517 1
49 1 9 1 "RMS(OBS, PRED)" C 48 1.070 1
50 1 9 1 "RMS(OBS, PRED)" CA 53 1.369 1
51 1 9 1 "RMS(OBS, PRED)" CB 48 1.588 1
52 1 9 1 "RMS(OBS, PRED)" H 49 0.623 1
53 1 9 1 "RMS(OBS, PRED)" HA 58 0.374 1
54 1 9 1 "RMS(OBS, PRED)" N 49 3.348 1
55 1 10 1 "RMS(OBS, PRED)" C 48 1.167 1
56 1 10 1 "RMS(OBS, PRED)" CA 53 1.459 1
57 1 10 1 "RMS(OBS, PRED)" CB 48 1.572 1
58 1 10 1 "RMS(OBS, PRED)" H 49 0.596 1
59 1 10 1 "RMS(OBS, PRED)" HA 58 0.376 1
60 1 10 1 "RMS(OBS, PRED)" N 49 3.633 1
61 1 11 1 "RMS(OBS, PRED)" C 48 1.224 1
62 1 11 1 "RMS(OBS, PRED)" CA 53 1.395 1
63 1 11 1 "RMS(OBS, PRED)" CB 48 1.732 1
64 1 11 1 "RMS(OBS, PRED)" H 49 0.674 1
65 1 11 1 "RMS(OBS, PRED)" HA 58 0.375 1
66 1 11 1 "RMS(OBS, PRED)" N 49 3.839 1
67 1 12 1 "RMS(OBS, PRED)" C 48 1.130 1
68 1 12 1 "RMS(OBS, PRED)" CA 53 1.309 1
69 1 12 1 "RMS(OBS, PRED)" CB 48 1.496 1
70 1 12 1 "RMS(OBS, PRED)" H 49 0.626 1
71 1 12 1 "RMS(OBS, PRED)" HA 58 0.354 1
72 1 12 1 "RMS(OBS, PRED)" N 49 3.470 1
73 1 13 1 "RMS(OBS, PRED)" C 48 1.210 1
74 1 13 1 "RMS(OBS, PRED)" CA 53 1.417 1
75 1 13 1 "RMS(OBS, PRED)" CB 48 1.610 1
76 1 13 1 "RMS(OBS, PRED)" H 49 0.621 1
77 1 13 1 "RMS(OBS, PRED)" HA 58 0.344 1
78 1 13 1 "RMS(OBS, PRED)" N 49 3.249 1
79 1 14 1 "RMS(OBS, PRED)" C 48 1.144 1
80 1 14 1 "RMS(OBS, PRED)" CA 53 1.625 1
81 1 14 1 "RMS(OBS, PRED)" CB 48 1.728 1
82 1 14 1 "RMS(OBS, PRED)" H 49 0.607 1
83 1 14 1 "RMS(OBS, PRED)" HA 58 0.395 1
84 1 14 1 "RMS(OBS, PRED)" N 49 3.390 1
85 1 15 1 "RMS(OBS, PRED)" C 48 1.047 1
86 1 15 1 "RMS(OBS, PRED)" CA 53 1.664 1
87 1 15 1 "RMS(OBS, PRED)" CB 48 1.794 1
88 1 15 1 "RMS(OBS, PRED)" H 49 0.644 1
89 1 15 1 "RMS(OBS, PRED)" HA 58 0.341 1
90 1 15 1 "RMS(OBS, PRED)" N 49 3.122 1
91 1 16 1 "RMS(OBS, PRED)" C 48 1.061 1
92 1 16 1 "RMS(OBS, PRED)" CA 53 1.553 1
93 1 16 1 "RMS(OBS, PRED)" CB 48 1.670 1
94 1 16 1 "RMS(OBS, PRED)" H 49 0.581 1
95 1 16 1 "RMS(OBS, PRED)" HA 58 0.366 1
96 1 16 1 "RMS(OBS, PRED)" N 49 3.583 1
97 1 17 1 "RMS(OBS, PRED)" C 48 1.219 1
98 1 17 1 "RMS(OBS, PRED)" CA 53 1.521 1
99 1 17 1 "RMS(OBS, PRED)" CB 48 1.773 1
100 1 17 1 "RMS(OBS, PRED)" H 49 0.583 1
101 1 17 1 "RMS(OBS, PRED)" HA 58 0.375 1
102 1 17 1 "RMS(OBS, PRED)" N 49 3.233 1
103 1 18 1 "RMS(OBS, PRED)" C 48 1.203 1
104 1 18 1 "RMS(OBS, PRED)" CA 53 1.427 1
105 1 18 1 "RMS(OBS, PRED)" CB 48 1.916 1
106 1 18 1 "RMS(OBS, PRED)" H 49 0.604 1
107 1 18 1 "RMS(OBS, PRED)" HA 58 0.400 1
108 1 18 1 "RMS(OBS, PRED)" N 49 3.343 1
109 1 19 1 "RMS(OBS, PRED)" C 48 1.118 1
110 1 19 1 "RMS(OBS, PRED)" CA 53 1.327 1
111 1 19 1 "RMS(OBS, PRED)" CB 48 1.447 1
112 1 19 1 "RMS(OBS, PRED)" H 49 0.610 1
113 1 19 1 "RMS(OBS, PRED)" HA 58 0.384 1
114 1 19 1 "RMS(OBS, PRED)" N 49 3.578 1
115 1 20 1 "RMS(OBS, PRED)" C 48 1.138 1
116 1 20 1 "RMS(OBS, PRED)" CA 53 1.329 1
117 1 20 1 "RMS(OBS, PRED)" CB 48 1.748 1
118 1 20 1 "RMS(OBS, PRED)" H 49 0.636 1
119 1 20 1 "RMS(OBS, PRED)" HA 58 0.400 1
120 1 20 1 "RMS(OBS, PRED)" N 49 3.336 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 16 . 1 1 A 2 2 GLN H H 2 8.326 8.422 -0.096 2
1 17 . 1 1 A 2 2 GLN HA H 2 4.252 4.543 -0.291 2
1 18 . 1 1 A 2 2 GLN CA C 2 55.970 55.569 0.401 2
1 19 . 1 1 A 2 2 GLN CB C 2 29.990 29.656 0.334 2
1 20 . 1 1 A 2 2 GLN N N 2 123.332 121.259 2.073 2
1 21 . 1 1 A 3 3 LYS HA H 3 4.229 4.540 -0.311 2
1 22 . 1 1 A 3 3 LYS C C 3 176.404 175.767 0.637 2
1 23 . 1 1 A 3 3 LYS CA C 3 56.570 55.812 0.757 2
1 24 . 1 1 A 3 3 LYS CB C 3 32.880 33.734 -0.854 2
1 25 . 1 1 A 4 4 ARG H H 4 8.303 8.446 -0.143 2
1 26 . 1 1 A 4 4 ARG HA H 4 4.237 4.493 -0.256 2
1 33 . 1 1 A 4 4 ARG C C 4 176.656 175.905 0.751 2
1 34 . 1 1 A 4 4 ARG CA C 4 56.420 55.645 0.775 2
1 35 . 1 1 A 4 4 ARG CB C 4 30.910 30.471 0.439 2
1 38 . 1 1 A 4 4 ARG N N 4 122.770 122.964 -0.194 2
1 39 . 1 1 A 5 5 GLU H H 5 8.472 8.620 -0.148 2
1 40 . 1 1 A 5 5 GLU HA H 5 4.201 4.332 -0.131 2
1 45 . 1 1 A 5 5 GLU C C 5 176.137 176.079 0.058 2
1 46 . 1 1 A 5 5 GLU CA C 5 56.650 57.285 -0.635 2
1 47 . 1 1 A 5 5 GLU CB C 5 30.400 29.907 0.493 2
1 49 . 1 1 A 5 5 GLU N N 5 121.724 123.691 -1.967 2
1 50 . 1 1 A 6 6 LEU H H 6 8.127 8.038 0.089 2
1 51 . 1 1 A 6 6 LEU HA H 6 4.200 4.361 -0.161 2
1 61 . 1 1 A 6 6 LEU C C 6 176.782 175.621 1.161 2
1 62 . 1 1 A 6 6 LEU CA C 6 55.200 55.138 0.062 2
1 63 . 1 1 A 6 6 LEU CB C 6 42.520 41.828 0.692 2
1 67 . 1 1 A 6 6 LEU N N 6 122.169 120.734 1.435 2
1 68 . 1 1 A 7 7 TYR H H 7 7.943 8.396 -0.453 2
1 69 . 1 1 A 7 7 TYR HA H 7 4.636 4.907 -0.271 2
1 76 . 1 1 A 7 7 TYR C C 7 175.350 174.876 0.474 2
1 77 . 1 1 A 7 7 TYR CA C 7 57.420 57.607 -0.187 2
1 78 . 1 1 A 7 7 TYR CB C 7 39.370 39.619 -0.249 2
1 81 . 1 1 A 7 7 TYR N N 7 119.193 120.688 -1.495 2
1 82 . 1 1 A 8 8 GLU H H 8 8.314 8.598 -0.284 2
1 83 . 1 1 A 8 8 GLU HA H 8 4.314 4.577 -0.263 2
1 88 . 1 1 A 8 8 GLU C C 8 175.665 176.268 -0.603 2
1 89 . 1 1 A 8 8 GLU CA C 8 55.880 56.208 -0.328 2
1 90 . 1 1 A 8 8 GLU CB C 8 31.100 30.475 0.625 2
1 92 . 1 1 A 8 8 GLU N N 8 121.754 121.400 0.354 2
1 93 . 1 1 A 9 9 ILE H H 9 8.116 8.537 -0.421 2
1 94 . 1 1 A 9 9 ILE HA H 9 4.204 4.491 -0.287 2
1 104 . 1 1 A 9 9 ILE C C 9 176.058 175.476 0.582 2
1 105 . 1 1 A 9 9 ILE CA C 9 60.640 60.532 0.108 2
1 106 . 1 1 A 9 9 ILE CB C 9 38.440 39.390 -0.950 2
1 110 . 1 1 A 9 9 ILE N N 9 121.966 120.479 1.487 2
1 111 . 1 1 A 10 10 ALA H H 10 8.472 8.492 -0.021 2
1 112 . 1 1 A 10 10 ALA HA H 10 4.342 4.557 -0.215 2
1 116 . 1 1 A 10 10 ALA C C 10 177.286 176.564 0.722 2
1 117 . 1 1 A 10 10 ALA CA C 10 52.450 51.841 0.609 2
1 118 . 1 1 A 10 10 ALA CB C 10 19.420 19.831 -0.411 2
1 119 . 1 1 A 10 10 ALA N N 10 128.558 126.594 1.964 2
1 120 . 1 1 A 11 11 ASP H H 11 8.423 8.549 -0.126 2
1 121 . 1 1 A 11 11 ASP HA H 11 4.423 4.857 -0.434 2
1 124 . 1 1 A 11 11 ASP C C 11 176.798 176.155 0.643 2
1 125 . 1 1 A 11 11 ASP CA C 11 54.780 54.193 0.587 2
1 126 . 1 1 A 11 11 ASP CB C 11 40.900 42.528 -1.628 2
1 127 . 1 1 A 11 11 ASP N N 11 120.945 121.348 -0.403 2
1 128 . 1 1 A 12 12 GLY H H 12 8.263 8.465 -0.202 2
1 129 . 1 1 A 12 12 GLY HA2 H 12 3.928 4.023 -0.095 2
1 130 . 1 1 A 12 12 GLY HA3 H 12 3.765 4.027 -0.262 2
1 131 . 1 1 A 12 12 GLY C C 12 174.326 173.887 0.439 2
1 132 . 1 1 A 12 12 GLY CA C 12 45.630 45.753 -0.123 2
1 133 . 1 1 A 12 12 GLY N N 12 107.572 109.388 -1.816 2
1 134 . 1 1 A 13 13 LYS H H 13 7.974 8.254 -0.280 2
1 135 . 1 1 A 13 13 LYS HA H 13 4.286 4.388 -0.102 2
1 144 . 1 1 A 13 13 LYS C C 13 176.105 176.013 0.092 2
1 145 . 1 1 A 13 13 LYS CA C 13 55.970 56.232 -0.262 2
1 146 . 1 1 A 13 13 LYS CB C 13 33.000 32.691 0.309 2
1 150 . 1 1 A 13 13 LYS N N 13 120.339 121.475 -1.136 2
1 151 . 1 1 A 14 14 LEU H H 14 8.103 8.325 -0.222 2
1 152 . 1 1 A 14 14 LEU HA H 14 4.355 4.462 -0.107 2
1 162 . 1 1 A 14 14 LEU C C 14 177.050 176.508 0.542 2
1 163 . 1 1 A 14 14 LEU CA C 14 54.990 54.881 0.109 2
1 164 . 1 1 A 14 14 LEU CB C 14 42.180 41.666 0.514 2
1 168 . 1 1 A 14 14 LEU N N 14 122.169 122.871 -0.702 2
1 169 . 1 1 A 15 15 VAL H H 15 8.236 8.322 -0.086 2
1 170 . 1 1 A 15 15 VAL HA H 15 4.090 4.189 -0.099 2
1 178 . 1 1 A 15 15 VAL C C 15 175.680 175.731 -0.051 2
1 179 . 1 1 A 15 15 VAL CA C 15 62.000 62.578 -0.578 2
1 180 . 1 1 A 15 15 VAL CB C 15 33.050 32.522 0.528 2
1 182 . 1 1 A 15 15 VAL N N 15 122.264 120.989 1.275 2
1 183 . 1 1 A 16 16 ARG H H 16 8.293 8.302 -0.009 2
1 184 . 1 1 A 16 16 ARG HA H 16 4.187 4.415 -0.228 2
1 191 . 1 1 A 16 16 ARG C C 16 175.822 175.664 0.158 2
1 192 . 1 1 A 16 16 ARG CA C 16 55.820 56.329 -0.509 2
1 193 . 1 1 A 16 16 ARG CB C 16 30.820 30.645 0.175 2
1 196 . 1 1 A 16 16 ARG N N 16 124.903 123.414 1.489 2
1 197 . 1 1 A 17 17 LYS H H 17 8.239 8.498 -0.259 2
1 198 . 1 1 A 17 17 LYS HA H 17 4.130 4.344 -0.214 2
1 207 . 1 1 A 17 17 LYS C C 17 175.995 175.946 0.049 2
1 208 . 1 1 A 17 17 LYS CA C 17 56.270 56.269 0.001 2
1 209 . 1 1 A 17 17 LYS CB C 17 33.130 32.279 0.851 2
1 213 . 1 1 A 17 17 LYS N N 17 123.108 124.143 -1.035 2
1 214 . 1 1 A 18 18 HIS H H 18 8.067 8.286 -0.219 2
1 215 . 1 1 A 18 18 HIS HA H 18 4.572 4.670 -0.098 2
1 218 . 1 1 A 18 18 HIS C C 18 174.736 173.910 0.826 2
1 219 . 1 1 A 18 18 HIS CA C 18 55.460 55.527 -0.067 2
1 220 . 1 1 A 18 18 HIS CB C 18 31.390 29.819 1.571 2
1 221 . 1 1 A 18 18 HIS N N 18 120.275 120.991 -0.716 2
1 222 . 1 1 A 19 19 ARG H H 19 8.767 8.319 0.448 2
1 223 . 1 1 A 19 19 ARG HA H 19 4.254 4.468 -0.214 2
1 230 . 1 1 A 19 19 ARG C C 19 175.790 175.411 0.379 2
1 231 . 1 1 A 19 19 ARG CA C 19 55.480 55.454 0.026 2
1 232 . 1 1 A 19 19 ARG CB C 19 32.050 31.723 0.327 2
1 235 . 1 1 A 19 19 ARG N N 19 122.186 122.056 0.130 2
1 236 . 1 1 A 20 20 PHE H H 20 7.866 8.884 -1.018 2
1 237 . 1 1 A 20 20 PHE HA H 20 5.296 4.952 0.344 2
1 245 . 1 1 A 20 20 PHE C C 20 174.673 175.371 -0.698 2
1 246 . 1 1 A 20 20 PHE CA C 20 54.520 57.423 -2.903 2
1 247 . 1 1 A 20 20 PHE CB C 20 40.050 41.300 -1.250 2
1 251 . 1 1 A 20 20 PHE N N 20 120.369 121.777 -1.408 2
1 252 . 1 1 A 21 21 CYS H H 21 8.557 8.523 0.034 2
1 253 . 1 1 A 21 21 CYS HA H 21 4.062 4.471 -0.409 2
1 256 . 1 1 A 21 21 CYS CA C 21 56.880 56.866 0.014 2
1 257 . 1 1 A 21 21 CYS CB C 21 30.710 28.560 2.150 2
1 258 . 1 1 A 21 21 CYS N N 21 123.994 121.162 2.832 2
1 259 . 1 1 A 22 22 PRO HA H 22 4.211 4.277 -0.066 2
1 266 . 1 1 A 22 22 PRO C C 22 177.475 178.629 -1.154 2
1 267 . 1 1 A 22 22 PRO CA C 22 64.260 65.544 -1.284 2
1 268 . 1 1 A 22 22 PRO CB C 22 31.730 31.614 0.116 2
1 271 . 1 1 A 23 23 ARG H H 23 8.569 8.220 0.349 2
1 272 . 1 1 A 23 23 ARG HA H 23 4.223 4.126 0.097 2
1 279 . 1 1 A 23 23 ARG C C 23 178.246 177.974 0.272 2
1 280 . 1 1 A 23 23 ARG CA C 23 58.030 58.622 -0.592 2
1 281 . 1 1 A 23 23 ARG CB C 23 31.240 30.708 0.532 2
1 284 . 1 1 A 23 23 ARG N N 23 121.075 117.710 3.365 2
1 285 . 1 1 A 24 24 CYS H H 24 9.550 8.185 1.365 2
1 286 . 1 1 A 24 24 CYS HA H 24 3.872 4.482 -0.610 2
1 289 . 1 1 A 24 24 CYS C C 24 177.302 176.100 1.202 2
1 290 . 1 1 A 24 24 CYS CA C 24 63.060 60.391 2.669 2
1 291 . 1 1 A 24 24 CYS CB C 24 30.120 27.366 2.754 2
1 292 . 1 1 A 24 24 CYS N N 24 123.692 117.823 5.869 2
1 293 . 1 1 A 25 25 GLY H H 25 8.166 8.282 -0.116 2
1 294 . 1 1 A 25 25 GLY HA2 H 25 4.142 3.809 0.333 2
1 295 . 1 1 A 25 25 GLY HA3 H 25 3.623 3.893 -0.270 2
1 296 . 1 1 A 25 25 GLY CA C 25 44.640 48.084 -3.444 2
1 297 . 1 1 A 25 25 GLY N N 25 107.593 109.596 -2.003 2
1 298 . 1 1 A 26 26 PRO HA H 26 2.807 4.187 -1.380 2
1 305 . 1 1 A 26 26 PRO C C 26 176.940 177.544 -0.604 2
1 306 . 1 1 A 26 26 PRO CA C 26 63.060 63.567 -0.507 2
1 307 . 1 1 A 26 26 PRO CB C 26 31.650 30.552 1.098 2
1 310 . 1 1 A 27 27 GLY H H 27 6.847 8.687 -1.840 2
1 311 . 1 1 A 27 27 GLY HA2 H 27 3.800 3.950 -0.150 2
1 312 . 1 1 A 27 27 GLY HA3 H 27 3.334 3.970 -0.636 2
1 313 . 1 1 A 27 27 GLY C C 27 172.705 173.689 -0.984 2
1 314 . 1 1 A 27 27 GLY CA C 27 44.400 45.242 -0.842 2
1 315 . 1 1 A 27 27 GLY N N 27 108.726 112.928 -4.202 2
1 316 . 1 1 A 28 28 VAL H H 28 7.416 7.795 -0.379 2
1 317 . 1 1 A 28 28 VAL HA H 28 3.964 4.399 -0.435 2
1 325 . 1 1 A 28 28 VAL C C 28 174.626 175.438 -0.812 2
1 326 . 1 1 A 28 28 VAL CA C 28 62.040 61.405 0.635 2
1 327 . 1 1 A 28 28 VAL CB C 28 32.080 33.629 -1.549 2
1 330 . 1 1 A 28 28 VAL N N 28 123.159 121.779 1.380 2
1 331 . 1 1 A 29 29 PHE H H 29 8.484 9.103 -0.619 2
1 332 . 1 1 A 29 29 PHE HA H 29 4.905 4.922 -0.017 2
1 340 . 1 1 A 29 29 PHE C C 29 177.349 174.764 2.585 2
1 341 . 1 1 A 29 29 PHE CA C 29 57.800 56.734 1.066 2
1 342 . 1 1 A 29 29 PHE CB C 29 40.050 40.456 -0.406 2
1 346 . 1 1 A 29 29 PHE N N 29 124.513 126.036 -1.523 2
1 347 . 1 1 A 30 30 LEU H H 30 8.615 8.678 -0.064 2
1 348 . 1 1 A 30 30 LEU HA H 30 4.425 4.923 -0.498 2
1 358 . 1 1 A 30 30 LEU C C 30 176.877 175.499 1.378 2
1 359 . 1 1 A 30 30 LEU CA C 30 54.180 53.898 0.282 2
1 360 . 1 1 A 30 30 LEU CB C 30 42.470 44.559 -2.088 2
1 364 . 1 1 A 30 30 LEU N N 30 120.729 122.071 -1.342 2
1 365 . 1 1 A 31 31 ALA H H 31 9.109 8.559 0.550 2
1 366 . 1 1 A 31 31 ALA HA H 31 4.502 4.567 -0.065 2
1 370 . 1 1 A 31 31 ALA C C 31 176.231 176.724 -0.493 2
1 371 . 1 1 A 31 31 ALA CA C 31 51.170 52.465 -1.295 2
1 372 . 1 1 A 31 31 ALA CB C 31 20.140 18.899 1.241 2
1 373 . 1 1 A 31 31 ALA N N 31 126.827 130.124 -3.297 2
1 374 . 1 1 A 32 32 GLU H H 32 8.580 8.790 -0.210 2
1 375 . 1 1 A 32 32 GLU HA H 32 4.172 4.543 -0.371 2
1 380 . 1 1 A 32 32 GLU C C 32 174.736 175.235 -0.499 2
1 381 . 1 1 A 32 32 GLU CA C 32 56.140 55.840 0.300 2
1 382 . 1 1 A 32 32 GLU CB C 32 30.540 30.314 0.226 2
1 384 . 1 1 A 32 32 GLU N N 32 122.632 125.746 -3.114 2
1 385 . 1 1 A 33 33 HIS H H 33 8.596 8.886 -0.290 2
1 386 . 1 1 A 33 33 HIS HA H 33 4.816 4.847 -0.031 2
1 390 . 1 1 A 33 33 HIS CA C 33 53.900 55.008 -1.108 2
1 391 . 1 1 A 33 33 HIS CB C 33 33.160 32.768 0.392 2
1 393 . 1 1 A 33 33 HIS N N 33 126.719 124.228 2.491 2
1 394 . 1 1 A 34 34 ALA HA H 34 4.011 3.900 0.111 2
1 398 . 1 1 A 34 34 ALA C C 34 178.514 178.892 -0.378 2
1 399 . 1 1 A 34 34 ALA CA C 34 55.850 54.881 0.969 2
1 400 . 1 1 A 34 34 ALA CB C 34 18.060 18.457 -0.397 2
1 401 . 1 1 A 35 35 ASP H H 35 8.241 7.976 0.265 2
1 402 . 1 1 A 35 35 ASP HA H 35 4.737 4.597 0.140 2
1 405 . 1 1 A 35 35 ASP C C 35 177.003 176.173 0.830 2
1 406 . 1 1 A 35 35 ASP CA C 35 53.040 56.164 -3.124 2
1 407 . 1 1 A 35 35 ASP CB C 35 41.840 42.093 -0.253 2
1 408 . 1 1 A 35 35 ASP N N 35 108.393 115.829 -7.436 2
1 409 . 1 1 A 36 36 ARG H H 36 7.175 7.552 -0.377 2
1 410 . 1 1 A 36 36 ARG HA H 36 4.940 4.487 0.453 2
1 417 . 1 1 A 36 36 ARG C C 36 171.430 173.266 -1.836 2
1 418 . 1 1 A 36 36 ARG CA C 36 54.670 54.925 -0.255 2
1 419 . 1 1 A 36 36 ARG CB C 36 31.550 32.088 -0.538 2
1 422 . 1 1 A 36 36 ARG N N 36 116.403 113.850 2.553 2
1 423 . 1 1 A 37 37 TYR H H 37 9.025 9.207 -0.182 2
1 424 . 1 1 A 37 37 TYR HA H 37 5.546 5.585 -0.039 2
1 431 . 1 1 A 37 37 TYR C C 37 176.027 175.079 0.948 2
1 432 . 1 1 A 37 37 TYR CA C 37 56.400 57.055 -0.655 2
1 433 . 1 1 A 37 37 TYR CB C 37 41.830 41.097 0.733 2
1 436 . 1 1 A 37 37 TYR N N 37 118.099 118.575 -0.476 2
1 437 . 1 1 A 38 38 SER H H 38 9.208 9.044 0.164 2
1 438 . 1 1 A 38 38 SER HA H 38 5.675 5.298 0.377 2
1 441 . 1 1 A 38 38 SER C C 38 172.862 172.541 0.321 2
1 442 . 1 1 A 38 38 SER CA C 38 57.200 56.636 0.564 2
1 443 . 1 1 A 38 38 SER CB C 38 67.430 65.930 1.500 2
1 444 . 1 1 A 38 38 SER N N 38 114.608 115.948 -1.340 2
1 445 . 1 1 A 39 39 CYS H H 39 9.403 8.552 0.851 2
1 446 . 1 1 A 39 39 CYS HA H 39 4.781 4.902 -0.121 2
1 449 . 1 1 A 39 39 CYS C C 39 177.931 173.887 4.044 2
1 450 . 1 1 A 39 39 CYS CA C 39 58.680 57.741 0.939 2
1 451 . 1 1 A 39 39 CYS CB C 39 32.710 29.743 2.967 2
1 452 . 1 1 A 39 39 CYS N N 39 127.346 122.210 5.136 2
1 453 . 1 1 A 40 40 GLY H H 40 9.147 8.663 0.484 2
1 454 . 1 1 A 40 40 GLY HA2 H 40 4.053 3.945 0.108 2
1 455 . 1 1 A 40 40 GLY HA3 H 40 3.875 3.958 -0.083 2
1 456 . 1 1 A 40 40 GLY C C 40 173.602 174.564 -0.962 2
1 457 . 1 1 A 40 40 GLY CA C 40 46.270 45.997 0.273 2
1 458 . 1 1 A 40 40 GLY N N 40 119.366 114.480 4.886 2
1 459 . 1 1 A 41 41 ARG H H 41 9.279 8.623 0.656 2
1 460 . 1 1 A 41 41 ARG HA H 41 4.362 4.318 0.044 2
1 467 . 1 1 A 41 41 ARG C C 41 177.601 176.503 1.098 2
1 468 . 1 1 A 41 41 ARG CA C 41 58.200 57.680 0.520 2
1 469 . 1 1 A 41 41 ARG CB C 41 30.980 31.110 -0.130 2
1 472 . 1 1 A 41 41 ARG N N 41 123.467 120.848 2.619 2
1 473 . 1 1 A 42 42 CYS H H 42 8.759 7.990 0.769 2
1 474 . 1 1 A 42 42 CYS HA H 42 4.944 4.621 0.323 2
1 477 . 1 1 A 42 42 CYS C C 42 177.160 175.935 1.225 2
1 478 . 1 1 A 42 42 CYS CA C 42 58.390 58.524 -0.134 2
1 479 . 1 1 A 42 42 CYS CB C 42 33.600 29.483 4.117 2
1 480 . 1 1 A 42 42 CYS N N 42 118.328 114.750 3.578 2
1 481 . 1 1 A 43 43 GLY H H 43 7.686 8.000 -0.314 2
1 482 . 1 1 A 43 43 GLY HA2 H 43 4.251 3.917 0.334 2
1 483 . 1 1 A 43 43 GLY HA3 H 43 3.782 3.920 -0.138 2
1 484 . 1 1 A 43 43 GLY C C 43 174.122 174.073 0.049 2
1 485 . 1 1 A 43 43 GLY CA C 43 46.100 46.106 -0.006 2
1 486 . 1 1 A 43 43 GLY N N 43 112.843 110.957 1.886 2
1 487 . 1 1 A 44 44 TYR H H 44 9.285 7.950 1.335 2
1 488 . 1 1 A 44 44 TYR HA H 44 4.109 4.418 -0.309 2
1 495 . 1 1 A 44 44 TYR C C 44 174.248 174.896 -0.648 2
1 496 . 1 1 A 44 44 TYR CA C 44 60.680 58.004 2.676 2
1 497 . 1 1 A 44 44 TYR CB C 44 39.840 38.685 1.155 2
1 500 . 1 1 A 44 44 TYR N N 44 127.411 121.770 5.641 2
1 501 . 1 1 A 45 45 THR H H 45 7.572 8.600 -1.028 2
1 502 . 1 1 A 45 45 THR HA H 45 4.763 5.112 -0.349 2
1 507 . 1 1 A 45 45 THR C C 45 171.635 172.798 -1.163 2
1 508 . 1 1 A 45 45 THR CA C 45 60.820 60.859 -0.039 2
1 509 . 1 1 A 45 45 THR CB C 45 72.660 71.140 1.520 2
1 511 . 1 1 A 45 45 THR N N 45 122.481 124.049 -1.568 2
1 512 . 1 1 A 46 46 GLU H H 46 8.456 8.697 -0.241 2
1 513 . 1 1 A 46 46 GLU HA H 46 4.430 4.712 -0.282 2
1 518 . 1 1 A 46 46 GLU C C 46 175.240 175.347 -0.107 2
1 519 . 1 1 A 46 46 GLU CA C 46 54.100 54.885 -0.785 2
1 520 . 1 1 A 46 46 GLU CB C 46 33.180 33.402 -0.222 2
1 522 . 1 1 A 46 46 GLU N N 46 124.924 126.957 -2.033 2
1 523 . 1 1 A 47 47 PHE H H 47 9.084 8.822 0.262 2
1 524 . 1 1 A 47 47 PHE HA H 47 4.417 4.654 -0.237 2
1 529 . 1 1 A 47 47 PHE C C 47 176.987 175.934 1.053 2
1 530 . 1 1 A 47 47 PHE CA C 47 59.920 58.616 1.304 2
1 531 . 1 1 A 47 47 PHE CB C 47 39.420 39.848 -0.428 2
1 533 . 1 1 A 47 47 PHE N N 47 125.357 125.070 0.287 2
1 534 . 1 1 A 48 48 LYS H H 48 8.082 8.380 -0.298 2
1 535 . 1 1 A 48 48 LYS HA H 48 4.233 4.427 -0.194 2
1 544 . 1 1 A 48 48 LYS C C 48 176.278 176.004 0.274 2
1 545 . 1 1 A 48 48 LYS CA C 48 57.670 56.531 1.139 2
1 546 . 1 1 A 48 48 LYS CB C 48 33.900 31.845 2.055 2
1 550 . 1 1 A 48 48 LYS N N 48 122.654 122.448 0.206 2
1 551 . 1 1 A 49 49 LYS H H 49 8.475 8.573 -0.099 2
1 552 . 1 1 A 49 49 LYS HA H 49 4.299 4.635 -0.336 2
1 561 . 1 1 A 49 49 LYS C C 49 175.979 176.197 -0.218 2
1 562 . 1 1 A 49 49 LYS CA C 49 56.100 55.808 0.292 2
1 563 . 1 1 A 49 49 LYS CB C 49 33.090 33.355 -0.265 2
1 567 . 1 1 A 49 49 LYS N N 49 121.521 124.430 -2.909 2
1 568 . 1 1 A 50 50 ALA H H 50 8.250 8.389 -0.139 2
1 569 . 1 1 A 50 50 ALA HA H 50 4.264 4.415 -0.151 2
1 573 . 1 1 A 50 50 ALA C C 50 177.617 177.262 0.355 2
1 574 . 1 1 A 50 50 ALA CA C 50 52.490 52.428 0.061 2
1 575 . 1 1 A 50 50 ALA CB C 50 19.420 18.928 0.492 2
1 576 . 1 1 A 50 50 ALA N N 50 125.681 126.245 -0.564 2
1 577 . 1 1 A 51 51 LYS H H 51 8.279 8.369 -0.090 2
1 578 . 1 1 A 51 51 LYS HA H 51 4.296 4.425 -0.129 2
1 585 . 1 1 A 51 51 LYS C C 51 176.562 176.024 0.538 2
1 586 . 1 1 A 51 51 LYS CA C 51 56.300 56.714 -0.414 2
1 587 . 1 1 A 51 51 LYS CB C 51 33.090 33.474 -0.384 2
1 591 . 1 1 A 51 51 LYS N N 51 121.304 122.162 -0.858 2
1 592 . 1 1 A 52 52 LYS H H 52 8.312 8.335 -0.023 2
1 593 . 1 1 A 52 52 LYS HA H 52 4.298 4.446 -0.148 2
1 598 . 1 1 A 52 52 LYS C C 52 176.530 175.789 0.741 2
1 599 . 1 1 A 52 52 LYS CA C 52 56.140 56.174 -0.034 2
1 600 . 1 1 A 52 52 LYS CB C 52 33.180 33.029 0.151 2
1 603 . 1 1 A 52 52 LYS N N 52 123.129 122.068 1.061 2
1 604 . 1 1 A 53 53 SER H H 53 8.309 8.500 -0.191 2
1 605 . 1 1 A 53 53 SER HA H 53 4.399 4.553 -0.154 2
1 608 . 1 1 A 53 53 SER C C 53 174.531 174.357 0.174 2
1 609 . 1 1 A 53 53 SER CA C 53 58.140 58.825 -0.685 2
1 610 . 1 1 A 53 53 SER CB C 53 63.780 63.774 0.006 2
1 611 . 1 1 A 53 53 SER N N 53 117.625 118.161 -0.536 2
1 612 . 1 1 A 54 54 LYS H H 54 8.409 8.396 0.013 2
1 613 . 1 1 A 54 54 LYS HA H 54 4.338 4.392 -0.054 2
1 618 . 1 1 A 54 54 LYS CA C 54 56.650 56.597 0.053 2
1 619 . 1 1 A 54 54 LYS CB C 54 32.920 32.847 0.073 2
1 621 . 1 1 A 54 54 LYS N N 54 123.196 122.742 0.454 2
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