data_15822_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15822
_Entry.PDB_ID 2K53
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 14 . 1 1 1 A 2 2 LYS H H 2 8.383 8.910 -0.527 1
1 15 . 1 1 1 A 2 2 LYS HA H 2 4.314 5.180 -0.866 1
1 24 . 1 1 1 A 2 2 LYS C C 2 175.001 175.521 -0.520 1
1 25 . 1 1 1 A 2 2 LYS CA C 2 56.188 54.717 1.471 1
1 26 . 1 1 1 A 2 2 LYS CB C 2 33.481 35.570 -2.089 1
1 30 . 1 1 1 A 2 2 LYS N N 2 124.593 125.788 -1.195 1
1 31 . 1 1 1 A 3 3 ILE H H 3 9.639 9.060 0.579 1
1 32 . 1 1 1 A 3 3 ILE HA H 3 4.510 4.453 0.057 1
1 42 . 1 1 1 A 3 3 ILE C C 3 176.337 175.769 0.568 1
1 43 . 1 1 1 A 3 3 ILE CA C 3 58.009 61.578 -3.569 1
1 44 . 1 1 1 A 3 3 ILE CB C 3 36.405 37.837 -1.432 1
1 48 . 1 1 1 A 3 3 ILE N N 3 124.160 127.800 -3.640 1
1 49 . 1 1 1 A 4 4 THR H H 4 7.637 8.221 -0.584 1
1 50 . 1 1 1 A 4 4 THR HA H 4 4.795 4.983 -0.188 1
1 55 . 1 1 1 A 4 4 THR C C 4 175.818 175.184 0.634 1
1 56 . 1 1 1 A 4 4 THR CA C 4 59.550 59.018 0.532 1
1 57 . 1 1 1 A 4 4 THR CB C 4 71.365 71.895 -0.530 1
1 59 . 1 1 1 A 4 4 THR N N 4 115.631 116.391 -0.760 1
1 60 . 1 1 1 A 5 5 LYS H H 5 9.100 8.938 0.162 1
1 61 . 1 1 1 A 5 5 LYS HA H 5 3.910 4.102 -0.192 1
1 70 . 1 1 1 A 5 5 LYS C C 5 173.504 178.312 -4.808 1
1 71 . 1 1 1 A 5 5 LYS CA C 5 58.730 58.682 0.048 1
1 72 . 1 1 1 A 5 5 LYS CB C 5 32.584 32.043 0.541 1
1 76 . 1 1 1 A 5 5 LYS N N 5 117.257 119.815 -2.558 1
1 77 . 1 1 1 A 6 6 ASP H H 6 8.542 7.661 0.881 1
1 78 . 1 1 1 A 6 6 ASP HA H 6 4.577 4.567 0.010 1
1 81 . 1 1 1 A 6 6 ASP C C 6 176.227 176.554 -0.327 1
1 82 . 1 1 1 A 6 6 ASP CA C 6 53.772 56.211 -2.439 1
1 83 . 1 1 1 A 6 6 ASP CB C 6 40.478 40.958 -0.480 1
1 84 . 1 1 1 A 6 6 ASP N N 6 115.528 120.100 -4.572 1
1 85 . 1 1 1 A 7 7 MET H H 7 7.545 7.733 -0.188 1
1 86 . 1 1 1 A 7 7 MET HA H 7 4.037 4.609 -0.572 1
1 94 . 1 1 1 A 7 7 MET C C 7 174.214 175.813 -1.599 1
1 95 . 1 1 1 A 7 7 MET CA C 7 57.578 55.595 1.983 1
1 96 . 1 1 1 A 7 7 MET CB C 7 33.295 33.475 -0.180 1
1 99 . 1 1 1 A 7 7 MET N N 7 119.925 118.951 0.974 1
1 100 . 1 1 1 A 8 8 ILE H H 8 8.721 8.589 0.132 1
1 101 . 1 1 1 A 8 8 ILE HA H 8 4.110 4.079 0.031 1
1 111 . 1 1 1 A 8 8 ILE C C 8 178.731 176.478 2.253 1
1 112 . 1 1 1 A 8 8 ILE CA C 8 59.060 61.668 -2.608 1
1 113 . 1 1 1 A 8 8 ILE CB C 8 36.472 38.002 -1.530 1
1 117 . 1 1 1 A 8 8 ILE N N 8 121.085 123.292 -2.207 1
1 118 . 1 1 1 A 9 9 ILE H H 9 8.522 8.252 0.270 1
1 119 . 1 1 1 A 9 9 ILE HA H 9 3.238 3.601 -0.363 1
1 129 . 1 1 1 A 9 9 ILE C C 9 178.227 177.469 0.758 1
1 130 . 1 1 1 A 9 9 ILE CA C 9 67.720 65.094 2.626 1
1 131 . 1 1 1 A 9 9 ILE CB C 9 37.078 37.267 -0.189 1
1 135 . 1 1 1 A 9 9 ILE N N 9 128.907 124.761 4.146 1
1 136 . 1 1 1 A 10 10 ALA H H 10 8.578 7.989 0.589 1
1 137 . 1 1 1 A 10 10 ALA HA H 10 3.837 3.943 -0.106 1
1 141 . 1 1 1 A 10 10 ALA C C 10 179.790 179.461 0.329 1
1 142 . 1 1 1 A 10 10 ALA CA C 10 55.447 54.815 0.632 1
1 143 . 1 1 1 A 10 10 ALA CB C 10 19.000 18.170 0.830 1
1 144 . 1 1 1 A 10 10 ALA N N 10 118.416 121.328 -2.912 1
1 145 . 1 1 1 A 11 11 ASP H H 11 7.100 7.988 -0.888 1
1 146 . 1 1 1 A 11 11 ASP HA H 11 4.380 4.360 0.020 1
1 149 . 1 1 1 A 11 11 ASP C C 11 178.903 178.715 0.188 1
1 150 . 1 1 1 A 11 11 ASP CA C 11 56.979 56.821 0.158 1
1 151 . 1 1 1 A 11 11 ASP CB C 11 39.520 40.820 -1.300 1
1 152 . 1 1 1 A 11 11 ASP N N 11 116.224 118.507 -2.283 1
1 153 . 1 1 1 A 12 12 VAL H H 12 7.723 8.224 -0.501 1
1 154 . 1 1 1 A 12 12 VAL HA H 12 3.862 3.739 0.123 1
1 162 . 1 1 1 A 12 12 VAL C C 12 177.664 178.341 -0.677 1
1 163 . 1 1 1 A 12 12 VAL CA C 12 66.656 66.836 -0.180 1
1 164 . 1 1 1 A 12 12 VAL CB C 12 31.980 31.520 0.460 1
1 167 . 1 1 1 A 12 12 VAL N N 12 123.054 120.259 2.795 1
1 168 . 1 1 1 A 13 13 LEU H H 13 7.995 8.279 -0.284 1
1 169 . 1 1 1 A 13 13 LEU HA H 13 3.945 4.289 -0.344 1
1 179 . 1 1 1 A 13 13 LEU C C 13 175.458 179.881 -4.423 1
1 180 . 1 1 1 A 13 13 LEU CA C 13 57.259 57.385 -0.126 1
1 181 . 1 1 1 A 13 13 LEU CB C 13 42.140 41.087 1.053 1
1 185 . 1 1 1 A 13 13 LEU N N 13 118.291 119.841 -1.550 1
1 186 . 1 1 1 A 14 14 GLN H H 14 7.580 7.808 -0.228 1
1 187 . 1 1 1 A 14 14 GLN HA H 14 3.988 4.221 -0.233 1
1 194 . 1 1 1 A 14 14 GLN C C 14 178.311 179.146 -0.835 1
1 195 . 1 1 1 A 14 14 GLN CA C 14 57.659 58.800 -1.141 1
1 196 . 1 1 1 A 14 14 GLN CB C 14 28.700 28.127 0.573 1
1 198 . 1 1 1 A 14 14 GLN N N 14 114.621 119.254 -4.633 1
1 200 . 1 1 1 A 15 15 MET H H 15 7.675 7.597 0.078 1
1 201 . 1 1 1 A 15 15 MET HA H 15 4.069 4.444 -0.375 1
1 209 . 1 1 1 A 15 15 MET C C 15 177.780 176.418 1.362 1
1 210 . 1 1 1 A 15 15 MET CA C 15 59.420 58.698 0.722 1
1 211 . 1 1 1 A 15 15 MET CB C 15 33.423 33.629 -0.206 1
1 214 . 1 1 1 A 15 15 MET N N 15 119.587 118.233 1.354 1
1 215 . 1 1 1 A 16 16 ASP H H 16 7.520 7.933 -0.413 1
1 216 . 1 1 1 A 16 16 ASP HA H 16 4.613 5.006 -0.393 1
1 219 . 1 1 1 A 16 16 ASP C C 16 175.706 175.641 0.065 1
1 220 . 1 1 1 A 16 16 ASP CA C 16 55.090 54.108 0.982 1
1 221 . 1 1 1 A 16 16 ASP CB C 16 43.460 43.495 -0.035 1
1 222 . 1 1 1 A 16 16 ASP N N 16 113.838 116.891 -3.053 1
1 223 . 1 1 1 A 17 17 ARG H H 17 9.352 8.891 0.461 1
1 224 . 1 1 1 A 17 17 ARG HA H 17 4.253 4.189 0.064 1
1 231 . 1 1 1 A 17 17 ARG C C 17 178.889 177.913 0.976 1
1 232 . 1 1 1 A 17 17 ARG CA C 17 58.566 58.840 -0.274 1
1 233 . 1 1 1 A 17 17 ARG CB C 17 29.280 30.025 -0.745 1
1 236 . 1 1 1 A 17 17 ARG N N 17 131.098 124.919 6.179 1
1 237 . 1 1 1 A 18 18 GLY H H 18 9.534 8.293 1.241 1
1 238 . 1 1 1 A 18 18 GLY HA2 H 18 3.857 3.942 -0.085 1
1 239 . 1 1 1 A 18 18 GLY HA3 H 18 3.946 4.018 -0.072 1
1 240 . 1 1 1 A 18 18 GLY C C 18 173.747 175.368 -1.621 1
1 241 . 1 1 1 A 18 18 GLY CA C 18 45.820 45.932 -0.112 1
1 242 . 1 1 1 A 18 18 GLY N N 18 111.218 108.370 2.848 1
1 243 . 1 1 1 A 19 19 THR H H 19 7.486 7.723 -0.237 1
1 244 . 1 1 1 A 19 19 THR HA H 19 3.293 3.625 -0.332 1
1 249 . 1 1 1 A 19 19 THR C C 19 177.067 176.685 0.382 1
1 250 . 1 1 1 A 19 19 THR CA C 19 63.090 64.061 -0.971 1
1 251 . 1 1 1 A 19 19 THR CB C 19 69.960 68.393 1.567 1
1 253 . 1 1 1 A 19 19 THR N N 19 106.889 111.732 -4.843 1
1 254 . 1 1 1 A 20 20 ALA H H 20 7.648 7.830 -0.182 1
1 255 . 1 1 1 A 20 20 ALA HA H 20 4.246 4.271 -0.025 1
1 259 . 1 1 1 A 20 20 ALA CA C 20 57.780 57.138 0.642 1
1 260 . 1 1 1 A 20 20 ALA CB C 20 15.960 16.820 -0.860 1
1 261 . 1 1 1 A 20 20 ALA N N 20 125.258 125.139 0.119 1
1 262 . 1 1 1 A 21 21 PRO HA H 21 4.169 4.341 -0.172 1
1 269 . 1 1 1 A 21 21 PRO C C 21 177.812 178.666 -0.854 1
1 270 . 1 1 1 A 21 21 PRO CA C 21 65.630 65.249 0.381 1
1 271 . 1 1 1 A 21 21 PRO CB C 21 31.220 31.178 0.042 1
1 274 . 1 1 1 A 22 22 ILE H H 22 7.120 7.059 0.061 1
1 275 . 1 1 1 A 22 22 ILE HA H 22 3.622 3.736 -0.114 1
1 285 . 1 1 1 A 22 22 ILE C C 22 179.561 177.889 1.672 1
1 286 . 1 1 1 A 22 22 ILE CA C 22 64.640 63.924 0.716 1
1 287 . 1 1 1 A 22 22 ILE CB C 22 37.200 37.121 0.079 1
1 291 . 1 1 1 A 22 22 ILE N N 22 117.089 116.944 0.145 1
1 292 . 1 1 1 A 23 23 PHE H H 23 7.411 7.667 -0.256 1
1 293 . 1 1 1 A 23 23 PHE HA H 23 3.919 4.300 -0.381 1
1 301 . 1 1 1 A 23 23 PHE C C 23 178.486 178.243 0.243 1
1 302 . 1 1 1 A 23 23 PHE CA C 23 63.450 60.790 2.660 1
1 303 . 1 1 1 A 23 23 PHE CB C 23 38.740 38.871 -0.131 1
1 309 . 1 1 1 A 23 23 PHE N N 23 118.753 118.587 0.166 1
1 310 . 1 1 1 A 24 24 ILE H H 24 8.077 8.468 -0.391 1
1 311 . 1 1 1 A 24 24 ILE HA H 24 3.503 3.657 -0.154 1
1 321 . 1 1 1 A 24 24 ILE C C 24 180.431 178.003 2.428 1
1 322 . 1 1 1 A 24 24 ILE CA C 24 64.997 65.461 -0.464 1
1 323 . 1 1 1 A 24 24 ILE CB C 24 38.110 37.841 0.269 1
1 327 . 1 1 1 A 24 24 ILE N N 24 120.410 119.894 0.516 1
1 328 . 1 1 1 A 25 25 ASN H H 25 8.971 8.384 0.587 1
1 329 . 1 1 1 A 25 25 ASN HA H 25 4.453 4.378 0.075 1
1 334 . 1 1 1 A 25 25 ASN C C 25 176.784 177.235 -0.451 1
1 335 . 1 1 1 A 25 25 ASN CA C 25 55.321 56.952 -1.631 1
1 336 . 1 1 1 A 25 25 ASN CB C 25 37.880 39.827 -1.947 1
1 337 . 1 1 1 A 25 25 ASN N N 25 120.191 120.185 0.006 1
1 339 . 1 1 1 A 26 26 ASN H H 26 7.315 7.951 -0.636 1
1 340 . 1 1 1 A 26 26 ASN HA H 26 4.601 4.772 -0.171 1
1 345 . 1 1 1 A 26 26 ASN C C 26 173.732 175.659 -1.927 1
1 346 . 1 1 1 A 26 26 ASN CA C 26 54.840 53.278 1.562 1
1 347 . 1 1 1 A 26 26 ASN CB C 26 40.890 39.108 1.782 1
1 348 . 1 1 1 A 26 26 ASN N N 26 116.500 114.916 1.584 1
1 350 . 1 1 1 A 27 27 GLY H H 27 7.880 7.845 0.035 1
1 351 . 1 1 1 A 27 27 GLY HA2 H 27 4.305 4.009 0.296 1
1 352 . 1 1 1 A 27 27 GLY HA3 H 27 3.570 4.011 -0.441 1
1 353 . 1 1 1 A 27 27 GLY CA C 27 45.308 45.182 0.126 1
1 354 . 1 1 1 A 27 27 GLY N N 27 104.918 106.764 -1.846 1
1 355 . 1 1 1 A 28 28 MET H H 28 7.948 8.125 -0.177 1
1 356 . 1 1 1 A 28 28 MET HA H 28 4.190 4.368 -0.178 1
1 364 . 1 1 1 A 28 28 MET C C 28 174.147 174.999 -0.852 1
1 365 . 1 1 1 A 28 28 MET CA C 28 54.335 55.990 -1.655 1
1 366 . 1 1 1 A 28 28 MET CB C 28 31.978 33.304 -1.326 1
1 369 . 1 1 1 A 28 28 MET N N 28 120.940 120.651 0.289 1
1 370 . 1 1 1 A 29 29 HIS H H 29 7.994 8.639 -0.645 1
1 371 . 1 1 1 A 29 29 HIS HA H 29 4.592 5.160 -0.568 1
1 375 . 1 1 1 A 29 29 HIS C C 29 177.664 173.958 3.706 1
1 376 . 1 1 1 A 29 29 HIS CA C 29 56.178 54.114 2.064 1
1 377 . 1 1 1 A 29 29 HIS CB C 29 30.190 31.145 -0.955 1
1 378 . 1 1 1 A 29 29 HIS N N 29 121.779 122.604 -0.825 1
1 379 . 1 1 1 A 30 30 CYS H H 30 7.867 8.450 -0.583 1
1 380 . 1 1 1 A 30 30 CYS HA H 30 4.555 4.435 0.120 1
1 383 . 1 1 1 A 30 30 CYS C C 30 174.265 173.926 0.339 1
1 384 . 1 1 1 A 30 30 CYS CA C 30 57.398 59.132 -1.734 1
1 385 . 1 1 1 A 30 30 CYS CB C 30 28.234 27.570 0.664 1
1 386 . 1 1 1 A 30 30 CYS N N 30 116.200 124.911 -8.711 1
1 387 . 1 1 1 A 31 31 LEU H H 31 7.845 8.284 -0.439 1
1 388 . 1 1 1 A 31 31 LEU HA H 31 4.045 4.878 -0.833 1
1 398 . 1 1 1 A 31 31 LEU C C 31 177.285 174.974 2.311 1
1 399 . 1 1 1 A 31 31 LEU CA C 31 56.415 53.628 2.787 1
1 400 . 1 1 1 A 31 31 LEU CB C 31 41.172 45.920 -4.748 1
1 404 . 1 1 1 A 31 31 LEU N N 31 122.518 125.720 -3.202 1
1 405 . 1 1 1 A 32 32 GLY H H 32 8.292 8.895 -0.603 1
1 406 . 1 1 1 A 32 32 GLY HA2 H 32 3.852 3.855 -0.003 1
1 407 . 1 1 1 A 32 32 GLY HA3 H 32 3.852 3.865 -0.013 1
1 408 . 1 1 1 A 32 32 GLY C C 32 173.868 173.742 0.126 1
1 409 . 1 1 1 A 32 32 GLY CA C 32 45.182 47.363 -2.181 1
1 410 . 1 1 1 A 32 32 GLY N N 32 108.193 112.476 -4.283 1
1 411 . 1 1 1 A 33 33 CYS H H 33 7.747 8.036 -0.289 1
1 412 . 1 1 1 A 33 33 CYS HA H 33 4.826 4.989 -0.163 1
1 415 . 1 1 1 A 33 33 CYS CA C 33 56.005 57.278 -1.273 1
1 416 . 1 1 1 A 33 33 CYS CB C 33 27.330 31.087 -3.757 1
1 417 . 1 1 1 A 33 33 CYS N N 33 120.574 120.759 -0.185 1
1 418 . 1 1 1 A 34 34 PRO HA H 34 4.179 4.330 -0.151 1
1 425 . 1 1 1 A 34 34 PRO C C 34 178.582 177.701 0.881 1
1 426 . 1 1 1 A 34 34 PRO CA C 34 65.610 65.499 0.111 1
1 427 . 1 1 1 A 34 34 PRO CB C 34 32.071 31.630 0.441 1
1 430 . 1 1 1 A 35 35 SER H H 35 8.315 8.230 0.085 1
1 431 . 1 1 1 A 35 35 SER HA H 35 4.209 4.447 -0.238 1
1 434 . 1 1 1 A 35 35 SER C C 35 177.910 174.793 3.117 1
1 435 . 1 1 1 A 35 35 SER CA C 35 60.704 59.541 1.163 1
1 436 . 1 1 1 A 35 35 SER CB C 35 62.590 62.813 -0.223 1
1 437 . 1 1 1 A 35 35 SER N N 35 112.899 112.690 0.209 1
1 438 . 1 1 1 A 36 36 SER H H 36 7.903 8.103 -0.200 1
1 439 . 1 1 1 A 36 36 SER HA H 36 4.432 4.635 -0.203 1
1 442 . 1 1 1 A 36 36 SER C C 36 175.084 175.426 -0.342 1
1 443 . 1 1 1 A 36 36 SER CA C 36 60.336 58.614 1.722 1
1 444 . 1 1 1 A 36 36 SER CB C 36 63.920 64.427 -0.507 1
1 445 . 1 1 1 A 36 36 SER N N 36 117.747 113.860 3.887 1
1 446 . 1 1 1 A 37 37 MET H H 37 7.646 8.368 -0.722 1
1 447 . 1 1 1 A 37 37 MET HA H 37 4.114 4.409 -0.295 1
1 455 . 1 1 1 A 37 37 MET C C 37 175.617 178.169 -2.552 1
1 456 . 1 1 1 A 37 37 MET CA C 37 56.922 56.658 0.264 1
1 457 . 1 1 1 A 37 37 MET CB C 37 32.891 34.128 -1.237 1
1 460 . 1 1 1 A 37 37 MET N N 37 117.790 120.058 -2.268 1
1 461 . 1 1 1 A 38 38 GLY H H 38 7.742 7.690 0.052 1
1 462 . 1 1 1 A 38 38 GLY HA2 H 38 4.156 3.815 0.341 1
1 463 . 1 1 1 A 38 38 GLY HA3 H 38 3.623 3.823 -0.200 1
1 464 . 1 1 1 A 38 38 GLY C C 38 174.147 174.648 -0.501 1
1 465 . 1 1 1 A 38 38 GLY CA C 38 45.260 47.177 -1.917 1
1 466 . 1 1 1 A 38 38 GLY N N 38 104.897 108.694 -3.797 1
1 467 . 1 1 1 A 39 39 GLU H H 39 7.288 8.059 -0.771 1
1 468 . 1 1 1 A 39 39 GLU HA H 39 4.539 4.554 -0.015 1
1 473 . 1 1 1 A 39 39 GLU C C 39 173.845 176.025 -2.180 1
1 474 . 1 1 1 A 39 39 GLU CA C 39 54.885 55.566 -0.681 1
1 475 . 1 1 1 A 39 39 GLU CB C 39 31.980 30.921 1.059 1
1 477 . 1 1 1 A 39 39 GLU N N 39 119.469 119.399 0.070 1
1 478 . 1 1 1 A 40 40 SER H H 40 9.174 8.861 0.313 1
1 479 . 1 1 1 A 40 40 SER HA H 40 4.847 4.717 0.130 1
1 482 . 1 1 1 A 40 40 SER C C 40 175.082 175.913 -0.831 1
1 483 . 1 1 1 A 40 40 SER CA C 40 56.757 58.335 -1.578 1
1 484 . 1 1 1 A 40 40 SER CB C 40 65.397 64.159 1.238 1
1 485 . 1 1 1 A 40 40 SER N N 40 115.819 116.940 -1.121 1
1 486 . 1 1 1 A 41 41 ILE H H 41 8.739 9.068 -0.329 1
1 487 . 1 1 1 A 41 41 ILE HA H 41 3.512 3.776 -0.264 1
1 497 . 1 1 1 A 41 41 ILE C C 41 178.832 177.739 1.093 1
1 498 . 1 1 1 A 41 41 ILE CA C 41 67.190 65.795 1.395 1
1 499 . 1 1 1 A 41 41 ILE CB C 41 38.460 38.008 0.452 1
1 503 . 1 1 1 A 41 41 ILE N N 41 121.236 124.900 -3.664 1
1 504 . 1 1 1 A 42 42 GLU H H 42 8.932 8.730 0.202 1
1 505 . 1 1 1 A 42 42 GLU HA H 42 3.826 4.071 -0.245 1
1 510 . 1 1 1 A 42 42 GLU C C 42 178.134 178.444 -0.310 1
1 511 . 1 1 1 A 42 42 GLU CA C 42 59.860 59.217 0.643 1
1 512 . 1 1 1 A 42 42 GLU CB C 42 29.286 29.363 -0.077 1
1 514 . 1 1 1 A 42 42 GLU N N 42 117.512 120.045 -2.533 1
1 515 . 1 1 1 A 43 43 ASP H H 43 8.090 8.266 -0.176 1
1 516 . 1 1 1 A 43 43 ASP HA H 43 4.428 4.349 0.079 1
1 519 . 1 1 1 A 43 43 ASP C C 43 179.021 178.111 0.910 1
1 520 . 1 1 1 A 43 43 ASP CA C 43 57.460 57.845 -0.385 1
1 521 . 1 1 1 A 43 43 ASP CB C 43 39.485 41.523 -2.038 1
1 522 . 1 1 1 A 43 43 ASP N N 43 122.750 120.394 2.356 1
1 523 . 1 1 1 A 44 44 ALA H H 44 8.807 8.155 0.652 1
1 524 . 1 1 1 A 44 44 ALA HA H 44 4.242 4.122 0.120 1
1 528 . 1 1 1 A 44 44 ALA C C 44 181.423 180.262 1.161 1
1 529 . 1 1 1 A 44 44 ALA CA C 44 55.260 55.099 0.161 1
1 530 . 1 1 1 A 44 44 ALA CB C 44 19.775 17.912 1.863 1
1 531 . 1 1 1 A 44 44 ALA N N 44 123.434 121.053 2.381 1
1 532 . 1 1 1 A 45 45 CYS H H 45 8.663 8.284 0.379 1
1 533 . 1 1 1 A 45 45 CYS HA H 45 4.039 4.176 -0.137 1
1 536 . 1 1 1 A 45 45 CYS C C 45 176.954 177.003 -0.049 1
1 537 . 1 1 1 A 45 45 CYS CA C 45 65.300 63.193 2.107 1
1 538 . 1 1 1 A 45 45 CYS CB C 45 26.940 26.375 0.565 1
1 539 . 1 1 1 A 45 45 CYS N N 45 115.424 116.253 -0.829 1
1 540 . 1 1 1 A 46 46 ALA H H 46 7.844 8.238 -0.394 1
1 541 . 1 1 1 A 46 46 ALA HA H 46 4.274 4.080 0.194 1
1 545 . 1 1 1 A 46 46 ALA C C 46 180.730 180.501 0.229 1
1 546 . 1 1 1 A 46 46 ALA CA C 46 55.127 55.185 -0.058 1
1 547 . 1 1 1 A 46 46 ALA CB C 46 18.020 18.337 -0.317 1
1 548 . 1 1 1 A 46 46 ALA N N 46 122.366 122.411 -0.045 1
1 549 . 1 1 1 A 47 47 VAL H H 47 7.503 7.681 -0.178 1
1 550 . 1 1 1 A 47 47 VAL HA H 47 3.690 3.648 0.042 1
1 558 . 1 1 1 A 47 47 VAL C C 47 177.652 177.525 0.127 1
1 559 . 1 1 1 A 47 47 VAL CA C 47 65.530 66.609 -1.079 1
1 560 . 1 1 1 A 47 47 VAL CB C 47 32.140 31.877 0.263 1
1 563 . 1 1 1 A 47 47 VAL N N 47 116.850 119.102 -2.252 1
1 564 . 1 1 1 A 48 48 HIS H H 48 7.496 7.492 0.004 1
1 565 . 1 1 1 A 48 48 HIS HA H 48 4.629 4.589 0.040 1
1 569 . 1 1 1 A 48 48 HIS C C 48 174.865 175.050 -0.185 1
1 570 . 1 1 1 A 48 48 HIS CA C 48 56.985 55.991 0.994 1
1 571 . 1 1 1 A 48 48 HIS CB C 48 31.033 30.041 0.992 1
1 573 . 1 1 1 A 48 48 HIS N N 48 114.271 116.197 -1.926 1
1 574 . 1 1 1 A 49 49 GLY H H 49 7.846 7.809 0.037 1
1 575 . 1 1 1 A 49 49 GLY HA2 H 49 4.002 3.885 0.117 1
1 576 . 1 1 1 A 49 49 GLY HA3 H 49 4.002 3.889 0.113 1
1 577 . 1 1 1 A 49 49 GLY C C 49 174.536 174.919 -0.383 1
1 578 . 1 1 1 A 49 49 GLY CA C 49 47.189 46.705 0.484 1
1 579 . 1 1 1 A 49 49 GLY N N 49 110.669 109.325 1.344 1
1 580 . 1 1 1 A 50 50 ILE H H 50 8.126 8.552 -0.426 1
1 581 . 1 1 1 A 50 50 ILE HA H 50 4.295 4.109 0.186 1
1 591 . 1 1 1 A 50 50 ILE C C 50 175.038 175.561 -0.523 1
1 592 . 1 1 1 A 50 50 ILE CA C 50 59.759 60.955 -1.196 1
1 593 . 1 1 1 A 50 50 ILE CB C 50 41.222 38.479 2.743 1
1 597 . 1 1 1 A 50 50 ILE N N 50 119.905 121.264 -1.359 1
1 598 . 1 1 1 A 51 51 ASP H H 51 8.497 8.606 -0.109 1
1 599 . 1 1 1 A 51 51 ASP HA H 51 4.523 4.724 -0.201 1
1 602 . 1 1 1 A 51 51 ASP C C 51 175.978 176.388 -0.410 1
1 603 . 1 1 1 A 51 51 ASP CA C 51 54.100 52.996 1.104 1
1 604 . 1 1 1 A 51 51 ASP CB C 51 40.990 40.047 0.943 1
1 605 . 1 1 1 A 51 51 ASP N N 51 124.951 126.479 -1.528 1
1 606 . 1 1 1 A 52 52 ALA H H 52 8.791 8.242 0.549 1
1 607 . 1 1 1 A 52 52 ALA HA H 52 4.329 4.001 0.328 1
1 611 . 1 1 1 A 52 52 ALA CA C 52 55.070 55.270 -0.200 1
1 612 . 1 1 1 A 52 52 ALA CB C 52 19.480 18.563 0.917 1
1 613 . 1 1 1 A 52 52 ALA N N 52 131.766 128.091 3.675 1
1 614 . 1 1 1 A 53 53 ASP H H 53 8.082 8.188 -0.106 1
1 615 . 1 1 1 A 53 53 ASP HA H 53 4.321 4.333 -0.012 1
1 618 . 1 1 1 A 53 53 ASP CA C 53 57.500 58.021 -0.521 1
1 619 . 1 1 1 A 53 53 ASP CB C 53 39.940 42.019 -2.079 1
1 620 . 1 1 1 A 53 53 ASP N N 53 116.960 118.568 -1.608 1
1 621 . 1 1 1 A 54 54 LYS H H 54 7.762 7.746 0.016 1
1 622 . 1 1 1 A 54 54 LYS HA H 54 3.958 4.075 -0.117 1
1 631 . 1 1 1 A 54 54 LYS C C 54 177.748 178.926 -1.178 1
1 632 . 1 1 1 A 54 54 LYS CA C 54 59.355 59.381 -0.026 1
1 633 . 1 1 1 A 54 54 LYS CB C 54 32.920 32.242 0.678 1
1 637 . 1 1 1 A 54 54 LYS N N 54 123.420 118.396 5.024 1
1 638 . 1 1 1 A 55 55 LEU H H 55 7.337 8.169 -0.832 1
1 639 . 1 1 1 A 55 55 LEU HA H 55 3.822 3.952 -0.130 1
1 649 . 1 1 1 A 55 55 LEU C C 55 177.966 178.424 -0.458 1
1 650 . 1 1 1 A 55 55 LEU CA C 55 58.258 58.357 -0.099 1
1 651 . 1 1 1 A 55 55 LEU CB C 55 41.908 41.425 0.483 1
1 655 . 1 1 1 A 55 55 LEU N N 55 119.522 121.705 -2.183 1
1 656 . 1 1 1 A 56 56 VAL H H 56 8.503 8.455 0.048 1
1 657 . 1 1 1 A 56 56 VAL HA H 56 3.378 3.489 -0.111 1
1 665 . 1 1 1 A 56 56 VAL C C 56 177.576 177.783 -0.207 1
1 666 . 1 1 1 A 56 56 VAL CA C 56 67.460 66.843 0.617 1
1 667 . 1 1 1 A 56 56 VAL CB C 56 31.560 31.326 0.234 1
1 670 . 1 1 1 A 56 56 VAL N N 56 117.548 119.224 -1.676 1
1 671 . 1 1 1 A 57 57 LYS H H 57 8.003 7.524 0.479 1
1 672 . 1 1 1 A 57 57 LYS HA H 57 4.200 3.875 0.325 1
1 681 . 1 1 1 A 57 57 LYS C C 57 179.196 180.056 -0.860 1
1 682 . 1 1 1 A 57 57 LYS CA C 57 60.130 60.455 -0.325 1
1 683 . 1 1 1 A 57 57 LYS CB C 57 32.383 32.288 0.095 1
1 687 . 1 1 1 A 57 57 LYS N N 57 122.289 118.804 3.485 1
1 688 . 1 1 1 A 58 58 GLU H H 58 8.035 8.183 -0.148 1
1 689 . 1 1 1 A 58 58 GLU HA H 58 4.010 4.013 -0.003 1
1 694 . 1 1 1 A 58 58 GLU CA C 58 59.975 58.997 0.978 1
1 695 . 1 1 1 A 58 58 GLU CB C 58 29.430 29.292 0.138 1
1 697 . 1 1 1 A 58 58 GLU N N 58 119.482 120.523 -1.041 1
1 698 . 1 1 1 A 59 59 LEU H H 59 8.560 8.181 0.379 1
1 699 . 1 1 1 A 59 59 LEU HA H 59 3.998 3.901 0.097 1
1 709 . 1 1 1 A 59 59 LEU C C 59 178.239 179.266 -1.027 1
1 710 . 1 1 1 A 59 59 LEU CA C 59 58.200 58.060 0.140 1
1 711 . 1 1 1 A 59 59 LEU CB C 59 42.695 41.504 1.191 1
1 715 . 1 1 1 A 59 59 LEU N N 59 121.725 120.590 1.135 1
1 716 . 1 1 1 A 60 60 ASN H H 60 8.684 8.677 0.007 1
1 717 . 1 1 1 A 60 60 ASN HA H 60 4.806 4.598 0.208 1
1 722 . 1 1 1 A 60 60 ASN C C 60 178.495 178.320 0.175 1
1 723 . 1 1 1 A 60 60 ASN CA C 60 57.895 56.505 1.390 1
1 724 . 1 1 1 A 60 60 ASN CB C 60 38.528 38.340 0.188 1
1 725 . 1 1 1 A 60 60 ASN N N 60 117.410 117.461 -0.051 1
1 727 . 1 1 1 A 61 61 GLU H H 61 8.602 8.494 0.108 1
1 728 . 1 1 1 A 61 61 GLU HA H 61 4.040 4.038 0.002 1
1 733 . 1 1 1 A 61 61 GLU C C 61 178.325 178.542 -0.217 1
1 734 . 1 1 1 A 61 61 GLU CA C 61 59.814 59.426 0.388 1
1 735 . 1 1 1 A 61 61 GLU CB C 61 29.610 29.261 0.349 1
1 737 . 1 1 1 A 61 61 GLU N N 61 121.480 119.326 2.154 1
1 738 . 1 1 1 A 62 62 TYR H H 62 7.698 7.999 -0.301 1
1 739 . 1 1 1 A 62 62 TYR HA H 62 3.978 4.174 -0.196 1
1 746 . 1 1 1 A 62 62 TYR C C 62 177.947 177.459 0.488 1
1 747 . 1 1 1 A 62 62 TYR CA C 62 61.600 61.512 0.088 1
1 748 . 1 1 1 A 62 62 TYR CB C 62 37.513 38.729 -1.216 1
1 753 . 1 1 1 A 62 62 TYR N N 62 120.683 121.177 -0.494 1
1 754 . 1 1 1 A 63 63 PHE H H 63 7.982 7.986 -0.004 1
1 755 . 1 1 1 A 63 63 PHE HA H 63 3.932 3.930 0.002 1
1 763 . 1 1 1 A 63 63 PHE CA C 63 63.262 62.268 0.994 1
1 764 . 1 1 1 A 63 63 PHE CB C 63 39.120 38.384 0.736 1
1 770 . 1 1 1 A 63 63 PHE N N 63 117.730 117.783 -0.053 1
1 771 . 1 1 1 A 64 64 GLU H H 64 8.554 8.632 -0.078 1
1 772 . 1 1 1 A 64 64 GLU HA H 64 4.095 4.287 -0.192 1
1 777 . 1 1 1 A 64 64 GLU C C 64 178.921 179.532 -0.611 1
1 778 . 1 1 1 A 64 64 GLU CA C 64 59.322 59.439 -0.117 1
1 779 . 1 1 1 A 64 64 GLU CB C 64 29.670 29.163 0.507 1
1 781 . 1 1 1 A 64 64 GLU N N 64 121.392 119.754 1.638 1
1 782 . 1 1 1 A 65 65 LYS H H 65 7.850 7.909 -0.059 1
1 783 . 1 1 1 A 65 65 LYS HA H 65 3.982 4.080 -0.098 1
1 792 . 1 1 1 A 65 65 LYS C C 65 178.374 179.502 -1.128 1
1 793 . 1 1 1 A 65 65 LYS CA C 65 58.638 59.415 -0.777 1
1 794 . 1 1 1 A 65 65 LYS CB C 65 32.110 32.259 -0.149 1
1 798 . 1 1 1 A 65 65 LYS N N 65 118.746 120.472 -1.726 1
1 799 . 1 1 1 A 66 66 LYS H H 66 7.503 7.297 0.206 1
1 800 . 1 1 1 A 66 66 LYS HA H 66 3.880 3.918 -0.038 1
1 809 . 1 1 1 A 66 66 LYS C C 66 177.925 179.292 -1.367 1
1 810 . 1 1 1 A 66 66 LYS CA C 66 58.590 59.837 -1.247 1
1 811 . 1 1 1 A 66 66 LYS CB C 66 32.560 31.805 0.755 1
1 815 . 1 1 1 A 66 66 LYS N N 66 119.241 119.556 -0.315 1
1 816 . 1 1 1 A 67 67 GLU H H 67 7.876 8.060 -0.184 1
1 817 . 1 1 1 A 67 67 GLU HA H 67 4.097 4.084 0.013 1
1 822 . 1 1 1 A 67 67 GLU C C 67 178.016 177.327 0.689 1
1 823 . 1 1 1 A 67 67 GLU CA C 67 58.280 58.577 -0.297 1
1 824 . 1 1 1 A 67 67 GLU CB C 67 29.802 29.509 0.293 1
1 826 . 1 1 1 A 67 67 GLU N N 67 119.096 119.953 -0.857 1
1 827 . 1 1 1 A 68 68 VAL H H 68 7.719 7.523 0.196 1
1 828 . 1 1 1 A 68 68 VAL HA H 68 3.797 3.903 -0.106 1
1 836 . 1 1 1 A 68 68 VAL C C 68 177.668 178.042 -0.374 1
1 837 . 1 1 1 A 68 68 VAL CA C 68 64.600 64.859 -0.259 1
1 838 . 1 1 1 A 68 68 VAL CB C 68 32.050 32.053 -0.003 1
1 841 . 1 1 1 A 68 68 VAL N N 68 119.409 118.632 0.777 1
1 842 . 1 1 1 A 69 69 LEU H H 69 7.911 8.220 -0.309 1
1 843 . 1 1 1 A 69 69 LEU HA H 69 4.127 3.830 0.297 1
1 853 . 1 1 1 A 69 69 LEU C C 69 178.438 179.096 -0.658 1
1 854 . 1 1 1 A 69 69 LEU CA C 69 56.461 58.398 -1.937 1
1 855 . 1 1 1 A 69 69 LEU CB C 69 42.153 41.697 0.456 1
1 859 . 1 1 1 A 69 69 LEU N N 69 122.199 119.497 2.702 1
1 14 . 2 1 1 A 2 2 LYS H H 2 8.383 8.048 0.335 1
1 15 . 2 1 1 A 2 2 LYS HA H 2 4.314 4.516 -0.202 1
1 24 . 2 1 1 A 2 2 LYS C C 2 175.001 176.029 -1.028 1
1 25 . 2 1 1 A 2 2 LYS CA C 2 56.188 56.811 -0.623 1
1 26 . 2 1 1 A 2 2 LYS CB C 2 33.481 32.755 0.726 1
1 30 . 2 1 1 A 2 2 LYS N N 2 124.593 125.314 -0.721 1
1 31 . 2 1 1 A 3 3 ILE H H 3 9.639 8.578 1.061 1
1 32 . 2 1 1 A 3 3 ILE HA H 3 4.510 4.261 0.249 1
1 42 . 2 1 1 A 3 3 ILE C C 3 176.337 175.740 0.597 1
1 43 . 2 1 1 A 3 3 ILE CA C 3 58.009 62.113 -4.104 1
1 44 . 2 1 1 A 3 3 ILE CB C 3 36.405 37.939 -1.534 1
1 48 . 2 1 1 A 3 3 ILE N N 3 124.160 127.991 -3.831 1
1 49 . 2 1 1 A 4 4 THR H H 4 7.637 8.052 -0.415 1
1 50 . 2 1 1 A 4 4 THR HA H 4 4.795 4.944 -0.149 1
1 55 . 2 1 1 A 4 4 THR C C 4 175.818 175.240 0.578 1
1 56 . 2 1 1 A 4 4 THR CA C 4 59.550 59.101 0.449 1
1 57 . 2 1 1 A 4 4 THR CB C 4 71.365 71.854 -0.489 1
1 59 . 2 1 1 A 4 4 THR N N 4 115.631 116.860 -1.229 1
1 60 . 2 1 1 A 5 5 LYS H H 5 9.100 8.941 0.159 1
1 61 . 2 1 1 A 5 5 LYS HA H 5 3.910 4.128 -0.218 1
1 70 . 2 1 1 A 5 5 LYS C C 5 173.504 178.308 -4.804 1
1 71 . 2 1 1 A 5 5 LYS CA C 5 58.730 58.531 0.199 1
1 72 . 2 1 1 A 5 5 LYS CB C 5 32.584 31.944 0.640 1
1 76 . 2 1 1 A 5 5 LYS N N 5 117.257 119.243 -1.986 1
1 77 . 2 1 1 A 6 6 ASP H H 6 8.542 7.687 0.855 1
1 78 . 2 1 1 A 6 6 ASP HA H 6 4.577 4.520 0.057 1
1 81 . 2 1 1 A 6 6 ASP C C 6 176.227 176.523 -0.296 1
1 82 . 2 1 1 A 6 6 ASP CA C 6 53.772 56.219 -2.447 1
1 83 . 2 1 1 A 6 6 ASP CB C 6 40.478 40.597 -0.119 1
1 84 . 2 1 1 A 6 6 ASP N N 6 115.528 120.083 -4.555 1
1 85 . 2 1 1 A 7 7 MET H H 7 7.545 7.696 -0.151 1
1 86 . 2 1 1 A 7 7 MET HA H 7 4.037 4.628 -0.591 1
1 94 . 2 1 1 A 7 7 MET C C 7 174.214 175.820 -1.606 1
1 95 . 2 1 1 A 7 7 MET CA C 7 57.578 55.348 2.230 1
1 96 . 2 1 1 A 7 7 MET CB C 7 33.295 33.584 -0.289 1
1 99 . 2 1 1 A 7 7 MET N N 7 119.925 118.777 1.148 1
1 100 . 2 1 1 A 8 8 ILE H H 8 8.721 8.673 0.048 1
1 101 . 2 1 1 A 8 8 ILE HA H 8 4.110 4.149 -0.039 1
1 111 . 2 1 1 A 8 8 ILE C C 8 178.731 176.474 2.257 1
1 112 . 2 1 1 A 8 8 ILE CA C 8 59.060 61.514 -2.454 1
1 113 . 2 1 1 A 8 8 ILE CB C 8 36.472 38.195 -1.723 1
1 117 . 2 1 1 A 8 8 ILE N N 8 121.085 122.794 -1.709 1
1 118 . 2 1 1 A 9 9 ILE H H 9 8.522 8.376 0.146 1
1 119 . 2 1 1 A 9 9 ILE HA H 9 3.238 3.618 -0.380 1
1 129 . 2 1 1 A 9 9 ILE C C 9 178.227 177.538 0.689 1
1 130 . 2 1 1 A 9 9 ILE CA C 9 67.720 65.033 2.687 1
1 131 . 2 1 1 A 9 9 ILE CB C 9 37.078 37.433 -0.355 1
1 135 . 2 1 1 A 9 9 ILE N N 9 128.907 124.333 4.574 1
1 136 . 2 1 1 A 10 10 ALA H H 10 8.578 8.382 0.196 1
1 137 . 2 1 1 A 10 10 ALA HA H 10 3.837 3.977 -0.140 1
1 141 . 2 1 1 A 10 10 ALA C C 10 179.790 179.307 0.483 1
1 142 . 2 1 1 A 10 10 ALA CA C 10 55.447 54.728 0.719 1
1 143 . 2 1 1 A 10 10 ALA CB C 10 19.000 18.180 0.820 1
1 144 . 2 1 1 A 10 10 ALA N N 10 118.416 121.340 -2.924 1
1 145 . 2 1 1 A 11 11 ASP H H 11 7.100 8.016 -0.916 1
1 146 . 2 1 1 A 11 11 ASP HA H 11 4.380 4.372 0.008 1
1 149 . 2 1 1 A 11 11 ASP C C 11 178.903 178.608 0.295 1
1 150 . 2 1 1 A 11 11 ASP CA C 11 56.979 56.927 0.052 1
1 151 . 2 1 1 A 11 11 ASP CB C 11 39.520 40.983 -1.463 1
1 152 . 2 1 1 A 11 11 ASP N N 11 116.224 118.566 -2.342 1
1 153 . 2 1 1 A 12 12 VAL H H 12 7.723 8.237 -0.514 1
1 154 . 2 1 1 A 12 12 VAL HA H 12 3.862 3.763 0.099 1
1 162 . 2 1 1 A 12 12 VAL C C 12 177.664 178.365 -0.701 1
1 163 . 2 1 1 A 12 12 VAL CA C 12 66.656 66.738 -0.082 1
1 164 . 2 1 1 A 12 12 VAL CB C 12 31.980 31.660 0.320 1
1 167 . 2 1 1 A 12 12 VAL N N 12 123.054 120.170 2.884 1
1 168 . 2 1 1 A 13 13 LEU H H 13 7.995 8.204 -0.209 1
1 169 . 2 1 1 A 13 13 LEU HA H 13 3.945 4.353 -0.408 1
1 179 . 2 1 1 A 13 13 LEU C C 13 175.458 179.629 -4.171 1
1 180 . 2 1 1 A 13 13 LEU CA C 13 57.259 57.809 -0.550 1
1 181 . 2 1 1 A 13 13 LEU CB C 13 42.140 40.827 1.313 1
1 185 . 2 1 1 A 13 13 LEU N N 13 118.291 120.230 -1.939 1
1 186 . 2 1 1 A 14 14 GLN H H 14 7.580 7.920 -0.340 1
1 187 . 2 1 1 A 14 14 GLN HA H 14 3.988 4.107 -0.119 1
1 194 . 2 1 1 A 14 14 GLN C C 14 178.311 179.108 -0.797 1
1 195 . 2 1 1 A 14 14 GLN CA C 14 57.659 59.125 -1.466 1
1 196 . 2 1 1 A 14 14 GLN CB C 14 28.700 28.156 0.544 1
1 198 . 2 1 1 A 14 14 GLN N N 14 114.621 118.624 -4.003 1
1 200 . 2 1 1 A 15 15 MET H H 15 7.675 7.652 0.023 1
1 201 . 2 1 1 A 15 15 MET HA H 15 4.069 4.428 -0.359 1
1 209 . 2 1 1 A 15 15 MET C C 15 177.780 176.336 1.444 1
1 210 . 2 1 1 A 15 15 MET CA C 15 59.420 58.564 0.856 1
1 211 . 2 1 1 A 15 15 MET CB C 15 33.423 33.583 -0.160 1
1 214 . 2 1 1 A 15 15 MET N N 15 119.587 117.871 1.716 1
1 215 . 2 1 1 A 16 16 ASP H H 16 7.520 7.929 -0.409 1
1 216 . 2 1 1 A 16 16 ASP HA H 16 4.613 5.021 -0.408 1
1 219 . 2 1 1 A 16 16 ASP C C 16 175.706 175.529 0.177 1
1 220 . 2 1 1 A 16 16 ASP CA C 16 55.090 54.124 0.966 1
1 221 . 2 1 1 A 16 16 ASP CB C 16 43.460 44.160 -0.700 1
1 222 . 2 1 1 A 16 16 ASP N N 16 113.838 116.210 -2.372 1
1 223 . 2 1 1 A 17 17 ARG H H 17 9.352 8.916 0.436 1
1 224 . 2 1 1 A 17 17 ARG HA H 17 4.253 4.225 0.028 1
1 231 . 2 1 1 A 17 17 ARG C C 17 178.889 178.071 0.818 1
1 232 . 2 1 1 A 17 17 ARG CA C 17 58.566 58.457 0.109 1
1 233 . 2 1 1 A 17 17 ARG CB C 17 29.280 30.180 -0.900 1
1 236 . 2 1 1 A 17 17 ARG N N 17 131.098 125.272 5.826 1
1 237 . 2 1 1 A 18 18 GLY H H 18 9.534 8.244 1.290 1
1 238 . 2 1 1 A 18 18 GLY HA2 H 18 3.857 3.934 -0.077 1
1 239 . 2 1 1 A 18 18 GLY HA3 H 18 3.946 4.015 -0.069 1
1 240 . 2 1 1 A 18 18 GLY C C 18 173.747 175.582 -1.835 1
1 241 . 2 1 1 A 18 18 GLY CA C 18 45.820 46.088 -0.268 1
1 242 . 2 1 1 A 18 18 GLY N N 18 111.218 108.311 2.907 1
1 243 . 2 1 1 A 19 19 THR H H 19 7.486 8.026 -0.540 1
1 244 . 2 1 1 A 19 19 THR HA H 19 3.293 3.617 -0.324 1
1 249 . 2 1 1 A 19 19 THR C C 19 177.067 176.697 0.370 1
1 250 . 2 1 1 A 19 19 THR CA C 19 63.090 64.127 -1.037 1
1 251 . 2 1 1 A 19 19 THR CB C 19 69.960 68.281 1.679 1
1 253 . 2 1 1 A 19 19 THR N N 19 106.889 112.035 -5.146 1
1 254 . 2 1 1 A 20 20 ALA H H 20 7.648 8.100 -0.452 1
1 255 . 2 1 1 A 20 20 ALA HA H 20 4.246 4.304 -0.058 1
1 259 . 2 1 1 A 20 20 ALA CA C 20 57.780 57.128 0.652 1
1 260 . 2 1 1 A 20 20 ALA CB C 20 15.960 16.885 -0.925 1
1 261 . 2 1 1 A 20 20 ALA N N 20 125.258 124.881 0.377 1
1 262 . 2 1 1 A 21 21 PRO HA H 21 4.169 4.320 -0.151 1
1 269 . 2 1 1 A 21 21 PRO C C 21 177.812 178.628 -0.816 1
1 270 . 2 1 1 A 21 21 PRO CA C 21 65.630 65.262 0.368 1
1 271 . 2 1 1 A 21 21 PRO CB C 21 31.220 31.160 0.060 1
1 274 . 2 1 1 A 22 22 ILE H H 22 7.120 7.042 0.078 1
1 275 . 2 1 1 A 22 22 ILE HA H 22 3.622 3.732 -0.110 1
1 285 . 2 1 1 A 22 22 ILE C C 22 179.561 177.930 1.631 1
1 286 . 2 1 1 A 22 22 ILE CA C 22 64.640 63.925 0.715 1
1 287 . 2 1 1 A 22 22 ILE CB C 22 37.200 37.114 0.086 1
1 291 . 2 1 1 A 22 22 ILE N N 22 117.089 116.918 0.171 1
1 292 . 2 1 1 A 23 23 PHE H H 23 7.411 7.675 -0.264 1
1 293 . 2 1 1 A 23 23 PHE HA H 23 3.919 4.295 -0.376 1
1 301 . 2 1 1 A 23 23 PHE C C 23 178.486 178.215 0.271 1
1 302 . 2 1 1 A 23 23 PHE CA C 23 63.450 60.730 2.720 1
1 303 . 2 1 1 A 23 23 PHE CB C 23 38.740 38.711 0.029 1
1 309 . 2 1 1 A 23 23 PHE N N 23 118.753 118.641 0.112 1
1 310 . 2 1 1 A 24 24 ILE H H 24 8.077 8.383 -0.306 1
1 311 . 2 1 1 A 24 24 ILE HA H 24 3.503 3.556 -0.053 1
1 321 . 2 1 1 A 24 24 ILE C C 24 180.431 178.103 2.328 1
1 322 . 2 1 1 A 24 24 ILE CA C 24 64.997 65.510 -0.513 1
1 323 . 2 1 1 A 24 24 ILE CB C 24 38.110 37.751 0.359 1
1 327 . 2 1 1 A 24 24 ILE N N 24 120.410 119.839 0.571 1
1 328 . 2 1 1 A 25 25 ASN H H 25 8.971 8.314 0.657 1
1 329 . 2 1 1 A 25 25 ASN HA H 25 4.453 4.457 -0.004 1
1 334 . 2 1 1 A 25 25 ASN C C 25 176.784 176.461 0.323 1
1 335 . 2 1 1 A 25 25 ASN CA C 25 55.321 56.133 -0.812 1
1 336 . 2 1 1 A 25 25 ASN CB C 25 37.880 39.066 -1.186 1
1 337 . 2 1 1 A 25 25 ASN N N 25 120.191 119.753 0.438 1
1 339 . 2 1 1 A 26 26 ASN H H 26 7.315 7.744 -0.429 1
1 340 . 2 1 1 A 26 26 ASN HA H 26 4.601 4.831 -0.230 1
1 345 . 2 1 1 A 26 26 ASN C C 26 173.732 175.791 -2.059 1
1 346 . 2 1 1 A 26 26 ASN CA C 26 54.840 52.975 1.865 1
1 347 . 2 1 1 A 26 26 ASN CB C 26 40.890 39.139 1.751 1
1 348 . 2 1 1 A 26 26 ASN N N 26 116.500 115.262 1.238 1
1 350 . 2 1 1 A 27 27 GLY H H 27 7.880 8.208 -0.328 1
1 351 . 2 1 1 A 27 27 GLY HA2 H 27 4.305 3.806 0.499 1
1 352 . 2 1 1 A 27 27 GLY HA3 H 27 3.570 3.830 -0.260 1
1 353 . 2 1 1 A 27 27 GLY CA C 27 45.308 45.499 -0.191 1
1 354 . 2 1 1 A 27 27 GLY N N 27 104.918 108.015 -3.097 1
1 355 . 2 1 1 A 28 28 MET H H 28 7.948 7.906 0.042 1
1 356 . 2 1 1 A 28 28 MET HA H 28 4.190 4.463 -0.273 1
1 364 . 2 1 1 A 28 28 MET C C 28 174.147 175.726 -1.579 1
1 365 . 2 1 1 A 28 28 MET CA C 28 54.335 55.576 -1.241 1
1 366 . 2 1 1 A 28 28 MET CB C 28 31.978 33.353 -1.375 1
1 369 . 2 1 1 A 28 28 MET N N 28 120.940 119.194 1.746 1
1 370 . 2 1 1 A 29 29 HIS H H 29 7.994 8.543 -0.549 1
1 371 . 2 1 1 A 29 29 HIS HA H 29 4.592 4.831 -0.239 1
1 375 . 2 1 1 A 29 29 HIS C C 29 177.664 174.609 3.055 1
1 376 . 2 1 1 A 29 29 HIS CA C 29 56.178 55.198 0.980 1
1 377 . 2 1 1 A 29 29 HIS CB C 29 30.190 30.013 0.177 1
1 378 . 2 1 1 A 29 29 HIS N N 29 121.779 119.965 1.814 1
1 379 . 2 1 1 A 30 30 CYS H H 30 7.867 7.531 0.336 1
1 380 . 2 1 1 A 30 30 CYS HA H 30 4.555 4.244 0.311 1
1 383 . 2 1 1 A 30 30 CYS C C 30 174.265 174.219 0.046 1
1 384 . 2 1 1 A 30 30 CYS CA C 30 57.398 59.951 -2.553 1
1 385 . 2 1 1 A 30 30 CYS CB C 30 28.234 28.039 0.195 1
1 386 . 2 1 1 A 30 30 CYS N N 30 116.200 118.974 -2.774 1
1 387 . 2 1 1 A 31 31 LEU H H 31 7.845 8.284 -0.439 1
1 388 . 2 1 1 A 31 31 LEU HA H 31 4.045 4.564 -0.519 1
1 398 . 2 1 1 A 31 31 LEU C C 31 177.285 176.681 0.604 1
1 399 . 2 1 1 A 31 31 LEU CA C 31 56.415 53.694 2.721 1
1 400 . 2 1 1 A 31 31 LEU CB C 31 41.172 43.504 -2.332 1
1 404 . 2 1 1 A 31 31 LEU N N 31 122.518 124.347 -1.829 1
1 405 . 2 1 1 A 32 32 GLY H H 32 8.292 9.007 -0.715 1
1 406 . 2 1 1 A 32 32 GLY HA2 H 32 3.852 3.897 -0.045 1
1 407 . 2 1 1 A 32 32 GLY HA3 H 32 3.852 3.901 -0.049 1
1 408 . 2 1 1 A 32 32 GLY C C 32 173.868 174.372 -0.504 1
1 409 . 2 1 1 A 32 32 GLY CA C 32 45.182 45.987 -0.805 1
1 410 . 2 1 1 A 32 32 GLY N N 32 108.193 115.542 -7.349 1
1 411 . 2 1 1 A 33 33 CYS H H 33 7.747 8.212 -0.465 1
1 412 . 2 1 1 A 33 33 CYS HA H 33 4.826 4.475 0.351 1
1 415 . 2 1 1 A 33 33 CYS CA C 33 56.005 58.365 -2.360 1
1 416 . 2 1 1 A 33 33 CYS CB C 33 27.330 27.514 -0.184 1
1 417 . 2 1 1 A 33 33 CYS N N 33 120.574 120.342 0.232 1
1 418 . 2 1 1 A 34 34 PRO HA H 34 4.179 4.279 -0.100 1
1 425 . 2 1 1 A 34 34 PRO C C 34 178.582 177.487 1.095 1
1 426 . 2 1 1 A 34 34 PRO CA C 34 65.610 64.902 0.708 1
1 427 . 2 1 1 A 34 34 PRO CB C 34 32.071 31.870 0.201 1
1 430 . 2 1 1 A 35 35 SER H H 35 8.315 8.168 0.147 1
1 431 . 2 1 1 A 35 35 SER HA H 35 4.209 4.333 -0.124 1
1 434 . 2 1 1 A 35 35 SER C C 35 177.910 175.021 2.889 1
1 435 . 2 1 1 A 35 35 SER CA C 35 60.704 60.125 0.579 1
1 436 . 2 1 1 A 35 35 SER CB C 35 62.590 62.777 -0.187 1
1 437 . 2 1 1 A 35 35 SER N N 35 112.899 113.083 -0.184 1
1 438 . 2 1 1 A 36 36 SER H H 36 7.903 7.957 -0.054 1
1 439 . 2 1 1 A 36 36 SER HA H 36 4.432 4.716 -0.284 1
1 442 . 2 1 1 A 36 36 SER C C 36 175.084 175.810 -0.726 1
1 443 . 2 1 1 A 36 36 SER CA C 36 60.336 58.782 1.554 1
1 444 . 2 1 1 A 36 36 SER CB C 36 63.920 64.259 -0.339 1
1 445 . 2 1 1 A 36 36 SER N N 36 117.747 112.614 5.133 1
1 446 . 2 1 1 A 37 37 MET H H 37 7.646 8.449 -0.803 1
1 447 . 2 1 1 A 37 37 MET HA H 37 4.114 4.208 -0.094 1
1 455 . 2 1 1 A 37 37 MET C C 37 175.617 177.951 -2.334 1
1 456 . 2 1 1 A 37 37 MET CA C 37 56.922 58.507 -1.585 1
1 457 . 2 1 1 A 37 37 MET CB C 37 32.891 32.844 0.047 1
1 460 . 2 1 1 A 37 37 MET N N 37 117.790 119.947 -2.157 1
1 461 . 2 1 1 A 38 38 GLY H H 38 7.742 8.045 -0.303 1
1 462 . 2 1 1 A 38 38 GLY HA2 H 38 4.156 3.948 0.208 1
1 463 . 2 1 1 A 38 38 GLY HA3 H 38 3.623 3.955 -0.332 1
1 464 . 2 1 1 A 38 38 GLY C C 38 174.147 174.205 -0.058 1
1 465 . 2 1 1 A 38 38 GLY CA C 38 45.260 45.280 -0.020 1
1 466 . 2 1 1 A 38 38 GLY N N 38 104.897 107.582 -2.685 1
1 467 . 2 1 1 A 39 39 GLU H H 39 7.288 7.669 -0.381 1
1 468 . 2 1 1 A 39 39 GLU HA H 39 4.539 4.620 -0.081 1
1 473 . 2 1 1 A 39 39 GLU C C 39 173.845 176.327 -2.482 1
1 474 . 2 1 1 A 39 39 GLU CA C 39 54.885 55.194 -0.309 1
1 475 . 2 1 1 A 39 39 GLU CB C 39 31.980 30.438 1.542 1
1 477 . 2 1 1 A 39 39 GLU N N 39 119.469 120.842 -1.373 1
1 478 . 2 1 1 A 40 40 SER H H 40 9.174 8.872 0.302 1
1 479 . 2 1 1 A 40 40 SER HA H 40 4.847 4.697 0.150 1
1 482 . 2 1 1 A 40 40 SER C C 40 175.082 175.817 -0.735 1
1 483 . 2 1 1 A 40 40 SER CA C 40 56.757 59.429 -2.672 1
1 484 . 2 1 1 A 40 40 SER CB C 40 65.397 63.411 1.986 1
1 485 . 2 1 1 A 40 40 SER N N 40 115.819 118.389 -2.570 1
1 486 . 2 1 1 A 41 41 ILE H H 41 8.739 9.008 -0.269 1
1 487 . 2 1 1 A 41 41 ILE HA H 41 3.512 3.768 -0.256 1
1 497 . 2 1 1 A 41 41 ILE C C 41 178.832 177.688 1.144 1
1 498 . 2 1 1 A 41 41 ILE CA C 41 67.190 65.747 1.443 1
1 499 . 2 1 1 A 41 41 ILE CB C 41 38.460 37.991 0.469 1
1 503 . 2 1 1 A 41 41 ILE N N 41 121.236 124.381 -3.145 1
1 504 . 2 1 1 A 42 42 GLU H H 42 8.932 8.489 0.443 1
1 505 . 2 1 1 A 42 42 GLU HA H 42 3.826 4.051 -0.225 1
1 510 . 2 1 1 A 42 42 GLU C C 42 178.134 178.595 -0.461 1
1 511 . 2 1 1 A 42 42 GLU CA C 42 59.860 59.242 0.618 1
1 512 . 2 1 1 A 42 42 GLU CB C 42 29.286 29.097 0.189 1
1 514 . 2 1 1 A 42 42 GLU N N 42 117.512 120.181 -2.669 1
1 515 . 2 1 1 A 43 43 ASP H H 43 8.090 7.852 0.238 1
1 516 . 2 1 1 A 43 43 ASP HA H 43 4.428 4.404 0.024 1
1 519 . 2 1 1 A 43 43 ASP C C 43 179.021 178.059 0.962 1
1 520 . 2 1 1 A 43 43 ASP CA C 43 57.460 57.549 -0.089 1
1 521 . 2 1 1 A 43 43 ASP CB C 43 39.485 41.025 -1.540 1
1 522 . 2 1 1 A 43 43 ASP N N 43 122.750 120.595 2.155 1
1 523 . 2 1 1 A 44 44 ALA H H 44 8.807 8.095 0.712 1
1 524 . 2 1 1 A 44 44 ALA HA H 44 4.242 4.107 0.135 1
1 528 . 2 1 1 A 44 44 ALA C C 44 181.423 179.974 1.449 1
1 529 . 2 1 1 A 44 44 ALA CA C 44 55.260 55.001 0.259 1
1 530 . 2 1 1 A 44 44 ALA CB C 44 19.775 18.051 1.724 1
1 531 . 2 1 1 A 44 44 ALA N N 44 123.434 120.752 2.682 1
1 532 . 2 1 1 A 45 45 CYS H H 45 8.663 8.273 0.390 1
1 533 . 2 1 1 A 45 45 CYS HA H 45 4.039 4.204 -0.165 1
1 536 . 2 1 1 A 45 45 CYS C C 45 176.954 177.183 -0.229 1
1 537 . 2 1 1 A 45 45 CYS CA C 45 65.300 62.807 2.493 1
1 538 . 2 1 1 A 45 45 CYS CB C 45 26.940 26.297 0.643 1
1 539 . 2 1 1 A 45 45 CYS N N 45 115.424 116.390 -0.966 1
1 540 . 2 1 1 A 46 46 ALA H H 46 7.844 7.970 -0.126 1
1 541 . 2 1 1 A 46 46 ALA HA H 46 4.274 4.080 0.194 1
1 545 . 2 1 1 A 46 46 ALA C C 46 180.730 180.566 0.164 1
1 546 . 2 1 1 A 46 46 ALA CA C 46 55.127 55.189 -0.062 1
1 547 . 2 1 1 A 46 46 ALA CB C 46 18.020 18.217 -0.197 1
1 548 . 2 1 1 A 46 46 ALA N N 46 122.366 122.416 -0.050 1
1 549 . 2 1 1 A 47 47 VAL H H 47 7.503 7.899 -0.396 1
1 550 . 2 1 1 A 47 47 VAL HA H 47 3.690 3.663 0.027 1
1 558 . 2 1 1 A 47 47 VAL C C 47 177.652 176.837 0.815 1
1 559 . 2 1 1 A 47 47 VAL CA C 47 65.530 66.529 -0.999 1
1 560 . 2 1 1 A 47 47 VAL CB C 47 32.140 31.785 0.355 1
1 563 . 2 1 1 A 47 47 VAL N N 47 116.850 119.098 -2.248 1
1 564 . 2 1 1 A 48 48 HIS H H 48 7.496 7.625 -0.129 1
1 565 . 2 1 1 A 48 48 HIS HA H 48 4.629 4.711 -0.082 1
1 569 . 2 1 1 A 48 48 HIS C C 48 174.865 175.485 -0.620 1
1 570 . 2 1 1 A 48 48 HIS CA C 48 56.985 56.392 0.593 1
1 571 . 2 1 1 A 48 48 HIS CB C 48 31.033 30.135 0.898 1
1 573 . 2 1 1 A 48 48 HIS N N 48 114.271 118.942 -4.671 1
1 574 . 2 1 1 A 49 49 GLY H H 49 7.846 7.673 0.173 1
1 575 . 2 1 1 A 49 49 GLY HA2 H 49 4.002 3.818 0.184 1
1 576 . 2 1 1 A 49 49 GLY HA3 H 49 4.002 3.874 0.128 1
1 577 . 2 1 1 A 49 49 GLY C C 49 174.536 174.782 -0.246 1
1 578 . 2 1 1 A 49 49 GLY CA C 49 47.189 46.483 0.706 1
1 579 . 2 1 1 A 49 49 GLY N N 49 110.669 108.334 2.335 1
1 580 . 2 1 1 A 50 50 ILE H H 50 8.126 8.657 -0.531 1
1 581 . 2 1 1 A 50 50 ILE HA H 50 4.295 4.251 0.044 1
1 591 . 2 1 1 A 50 50 ILE C C 50 175.038 175.511 -0.473 1
1 592 . 2 1 1 A 50 50 ILE CA C 50 59.759 60.997 -1.238 1
1 593 . 2 1 1 A 50 50 ILE CB C 50 41.222 38.715 2.507 1
1 597 . 2 1 1 A 50 50 ILE N N 50 119.905 121.756 -1.851 1
1 598 . 2 1 1 A 51 51 ASP H H 51 8.497 8.605 -0.108 1
1 599 . 2 1 1 A 51 51 ASP HA H 51 4.523 4.800 -0.277 1
1 602 . 2 1 1 A 51 51 ASP C C 51 175.978 176.817 -0.839 1
1 603 . 2 1 1 A 51 51 ASP CA C 51 54.100 52.619 1.481 1
1 604 . 2 1 1 A 51 51 ASP CB C 51 40.990 40.839 0.151 1
1 605 . 2 1 1 A 51 51 ASP N N 51 124.951 125.902 -0.951 1
1 606 . 2 1 1 A 52 52 ALA H H 52 8.791 9.010 -0.219 1
1 607 . 2 1 1 A 52 52 ALA HA H 52 4.329 4.037 0.292 1
1 611 . 2 1 1 A 52 52 ALA CA C 52 55.070 55.417 -0.347 1
1 612 . 2 1 1 A 52 52 ALA CB C 52 19.480 18.235 1.245 1
1 613 . 2 1 1 A 52 52 ALA N N 52 131.766 129.232 2.534 1
1 614 . 2 1 1 A 53 53 ASP H H 53 8.082 8.240 -0.158 1
1 615 . 2 1 1 A 53 53 ASP HA H 53 4.321 4.334 -0.013 1
1 618 . 2 1 1 A 53 53 ASP CA C 53 57.500 58.019 -0.519 1
1 619 . 2 1 1 A 53 53 ASP CB C 53 39.940 42.076 -2.136 1
1 620 . 2 1 1 A 53 53 ASP N N 53 116.960 118.466 -1.506 1
1 621 . 2 1 1 A 54 54 LYS H H 54 7.762 7.688 0.074 1
1 622 . 2 1 1 A 54 54 LYS HA H 54 3.958 4.105 -0.147 1
1 631 . 2 1 1 A 54 54 LYS C C 54 177.748 178.896 -1.148 1
1 632 . 2 1 1 A 54 54 LYS CA C 54 59.355 59.348 0.007 1
1 633 . 2 1 1 A 54 54 LYS CB C 54 32.920 32.168 0.752 1
1 637 . 2 1 1 A 54 54 LYS N N 54 123.420 118.197 5.223 1
1 638 . 2 1 1 A 55 55 LEU H H 55 7.337 7.976 -0.639 1
1 639 . 2 1 1 A 55 55 LEU HA H 55 3.822 3.980 -0.158 1
1 649 . 2 1 1 A 55 55 LEU C C 55 177.966 178.439 -0.473 1
1 650 . 2 1 1 A 55 55 LEU CA C 55 58.258 58.385 -0.127 1
1 651 . 2 1 1 A 55 55 LEU CB C 55 41.908 41.532 0.376 1
1 655 . 2 1 1 A 55 55 LEU N N 55 119.522 121.668 -2.146 1
1 656 . 2 1 1 A 56 56 VAL H H 56 8.503 8.490 0.013 1
1 657 . 2 1 1 A 56 56 VAL HA H 56 3.378 3.555 -0.177 1
1 665 . 2 1 1 A 56 56 VAL C C 56 177.576 178.126 -0.550 1
1 666 . 2 1 1 A 56 56 VAL CA C 56 67.460 66.885 0.575 1
1 667 . 2 1 1 A 56 56 VAL CB C 56 31.560 31.432 0.128 1
1 670 . 2 1 1 A 56 56 VAL N N 56 117.548 119.316 -1.768 1
1 671 . 2 1 1 A 57 57 LYS H H 57 8.003 7.528 0.475 1
1 672 . 2 1 1 A 57 57 LYS HA H 57 4.200 3.934 0.266 1
1 681 . 2 1 1 A 57 57 LYS C C 57 179.196 180.079 -0.883 1
1 682 . 2 1 1 A 57 57 LYS CA C 57 60.130 60.277 -0.147 1
1 683 . 2 1 1 A 57 57 LYS CB C 57 32.383 32.109 0.274 1
1 687 . 2 1 1 A 57 57 LYS N N 57 122.289 118.740 3.549 1
1 688 . 2 1 1 A 58 58 GLU H H 58 8.035 8.170 -0.135 1
1 689 . 2 1 1 A 58 58 GLU HA H 58 4.010 4.046 -0.036 1
1 694 . 2 1 1 A 58 58 GLU CA C 58 59.975 59.071 0.904 1
1 695 . 2 1 1 A 58 58 GLU CB C 58 29.430 29.308 0.122 1
1 697 . 2 1 1 A 58 58 GLU N N 58 119.482 120.625 -1.143 1
1 698 . 2 1 1 A 59 59 LEU H H 59 8.560 8.006 0.554 1
1 699 . 2 1 1 A 59 59 LEU HA H 59 3.998 3.811 0.187 1
1 709 . 2 1 1 A 59 59 LEU C C 59 178.239 179.141 -0.902 1
1 710 . 2 1 1 A 59 59 LEU CA C 59 58.200 57.753 0.447 1
1 711 . 2 1 1 A 59 59 LEU CB C 59 42.695 41.657 1.038 1
1 715 . 2 1 1 A 59 59 LEU N N 59 121.725 120.547 1.178 1
1 716 . 2 1 1 A 60 60 ASN H H 60 8.684 8.532 0.152 1
1 717 . 2 1 1 A 60 60 ASN HA H 60 4.806 4.666 0.140 1
1 722 . 2 1 1 A 60 60 ASN C C 60 178.495 178.523 -0.028 1
1 723 . 2 1 1 A 60 60 ASN CA C 60 57.895 56.728 1.167 1
1 724 . 2 1 1 A 60 60 ASN CB C 60 38.528 37.859 0.669 1
1 725 . 2 1 1 A 60 60 ASN N N 60 117.410 117.736 -0.326 1
1 727 . 2 1 1 A 61 61 GLU H H 61 8.602 8.529 0.073 1
1 728 . 2 1 1 A 61 61 GLU HA H 61 4.040 4.435 -0.395 1
1 733 . 2 1 1 A 61 61 GLU C C 61 178.325 178.668 -0.343 1
1 734 . 2 1 1 A 61 61 GLU CA C 61 59.814 59.270 0.544 1
1 735 . 2 1 1 A 61 61 GLU CB C 61 29.610 29.359 0.251 1
1 737 . 2 1 1 A 61 61 GLU N N 61 121.480 119.515 1.965 1
1 738 . 2 1 1 A 62 62 TYR H H 62 7.698 7.915 -0.217 1
1 739 . 2 1 1 A 62 62 TYR HA H 62 3.978 4.196 -0.218 1
1 746 . 2 1 1 A 62 62 TYR C C 62 177.947 177.389 0.558 1
1 747 . 2 1 1 A 62 62 TYR CA C 62 61.600 61.520 0.080 1
1 748 . 2 1 1 A 62 62 TYR CB C 62 37.513 38.398 -0.885 1
1 753 . 2 1 1 A 62 62 TYR N N 62 120.683 122.074 -1.391 1
1 754 . 2 1 1 A 63 63 PHE H H 63 7.982 7.948 0.034 1
1 755 . 2 1 1 A 63 63 PHE HA H 63 3.932 3.985 -0.053 1
1 763 . 2 1 1 A 63 63 PHE CA C 63 63.262 62.254 1.008 1
1 764 . 2 1 1 A 63 63 PHE CB C 63 39.120 38.321 0.799 1
1 770 . 2 1 1 A 63 63 PHE N N 63 117.730 118.037 -0.307 1
1 771 . 2 1 1 A 64 64 GLU H H 64 8.554 8.202 0.352 1
1 772 . 2 1 1 A 64 64 GLU HA H 64 4.095 3.867 0.228 1
1 777 . 2 1 1 A 64 64 GLU C C 64 178.921 179.262 -0.341 1
1 778 . 2 1 1 A 64 64 GLU CA C 64 59.322 59.757 -0.435 1
1 779 . 2 1 1 A 64 64 GLU CB C 64 29.670 29.374 0.296 1
1 781 . 2 1 1 A 64 64 GLU N N 64 121.392 119.437 1.955 1
1 782 . 2 1 1 A 65 65 LYS H H 65 7.850 7.228 0.622 1
1 783 . 2 1 1 A 65 65 LYS HA H 65 3.982 4.030 -0.048 1
1 792 . 2 1 1 A 65 65 LYS C C 65 178.374 179.357 -0.983 1
1 793 . 2 1 1 A 65 65 LYS CA C 65 58.638 59.614 -0.976 1
1 794 . 2 1 1 A 65 65 LYS CB C 65 32.110 32.056 0.054 1
1 798 . 2 1 1 A 65 65 LYS N N 65 118.746 119.501 -0.755 1
1 799 . 2 1 1 A 66 66 LYS H H 66 7.503 7.259 0.244 1
1 800 . 2 1 1 A 66 66 LYS HA H 66 3.880 3.924 -0.044 1
1 809 . 2 1 1 A 66 66 LYS C C 66 177.925 179.537 -1.612 1
1 810 . 2 1 1 A 66 66 LYS CA C 66 58.590 59.816 -1.226 1
1 811 . 2 1 1 A 66 66 LYS CB C 66 32.560 31.876 0.684 1
1 815 . 2 1 1 A 66 66 LYS N N 66 119.241 119.621 -0.380 1
1 816 . 2 1 1 A 67 67 GLU H H 67 7.876 8.082 -0.206 1
1 817 . 2 1 1 A 67 67 GLU HA H 67 4.097 4.024 0.073 1
1 822 . 2 1 1 A 67 67 GLU C C 67 178.016 179.053 -1.037 1
1 823 . 2 1 1 A 67 67 GLU CA C 67 58.280 58.888 -0.608 1
1 824 . 2 1 1 A 67 67 GLU CB C 67 29.802 29.322 0.480 1
1 826 . 2 1 1 A 67 67 GLU N N 67 119.096 120.600 -1.504 1
1 827 . 2 1 1 A 68 68 VAL H H 68 7.719 7.354 0.365 1
1 828 . 2 1 1 A 68 68 VAL HA H 68 3.797 3.613 0.184 1
1 836 . 2 1 1 A 68 68 VAL C C 68 177.668 177.749 -0.081 1
1 837 . 2 1 1 A 68 68 VAL CA C 68 64.600 66.044 -1.444 1
1 838 . 2 1 1 A 68 68 VAL CB C 68 32.050 31.759 0.291 1
1 841 . 2 1 1 A 68 68 VAL N N 68 119.409 121.191 -1.782 1
1 842 . 2 1 1 A 69 69 LEU H H 69 7.911 8.139 -0.228 1
1 843 . 2 1 1 A 69 69 LEU HA H 69 4.127 3.789 0.338 1
1 853 . 2 1 1 A 69 69 LEU C C 69 178.438 178.772 -0.334 1
1 854 . 2 1 1 A 69 69 LEU CA C 69 56.461 58.356 -1.895 1
1 855 . 2 1 1 A 69 69 LEU CB C 69 42.153 41.559 0.594 1
1 859 . 2 1 1 A 69 69 LEU N N 69 122.199 118.909 3.290 1
1 14 . 3 1 1 A 2 2 LYS H H 2 8.383 8.893 -0.510 1
1 15 . 3 1 1 A 2 2 LYS HA H 2 4.314 4.679 -0.365 1
1 24 . 3 1 1 A 2 2 LYS C C 2 175.001 175.248 -0.247 1
1 25 . 3 1 1 A 2 2 LYS CA C 2 56.188 54.967 1.221 1
1 26 . 3 1 1 A 2 2 LYS CB C 2 33.481 33.307 0.174 1
1 30 . 3 1 1 A 2 2 LYS N N 2 124.593 125.541 -0.948 1
1 31 . 3 1 1 A 3 3 ILE H H 3 9.639 8.484 1.155 1
1 32 . 3 1 1 A 3 3 ILE HA H 3 4.510 4.336 0.174 1
1 42 . 3 1 1 A 3 3 ILE C C 3 176.337 175.583 0.754 1
1 43 . 3 1 1 A 3 3 ILE CA C 3 58.009 62.036 -4.027 1
1 44 . 3 1 1 A 3 3 ILE CB C 3 36.405 38.077 -1.672 1
1 48 . 3 1 1 A 3 3 ILE N N 3 124.160 127.349 -3.189 1
1 49 . 3 1 1 A 4 4 THR H H 4 7.637 8.148 -0.511 1
1 50 . 3 1 1 A 4 4 THR HA H 4 4.795 4.931 -0.136 1
1 55 . 3 1 1 A 4 4 THR C C 4 175.818 175.377 0.441 1
1 56 . 3 1 1 A 4 4 THR CA C 4 59.550 59.144 0.406 1
1 57 . 3 1 1 A 4 4 THR CB C 4 71.365 71.784 -0.419 1
1 59 . 3 1 1 A 4 4 THR N N 4 115.631 116.522 -0.891 1
1 60 . 3 1 1 A 5 5 LYS H H 5 9.100 8.923 0.177 1
1 61 . 3 1 1 A 5 5 LYS HA H 5 3.910 4.089 -0.179 1
1 70 . 3 1 1 A 5 5 LYS C C 5 173.504 178.294 -4.790 1
1 71 . 3 1 1 A 5 5 LYS CA C 5 58.730 58.660 0.070 1
1 72 . 3 1 1 A 5 5 LYS CB C 5 32.584 32.097 0.487 1
1 76 . 3 1 1 A 5 5 LYS N N 5 117.257 119.230 -1.973 1
1 77 . 3 1 1 A 6 6 ASP H H 6 8.542 7.620 0.922 1
1 78 . 3 1 1 A 6 6 ASP HA H 6 4.577 4.571 0.006 1
1 81 . 3 1 1 A 6 6 ASP C C 6 176.227 176.516 -0.289 1
1 82 . 3 1 1 A 6 6 ASP CA C 6 53.772 56.302 -2.530 1
1 83 . 3 1 1 A 6 6 ASP CB C 6 40.478 40.955 -0.477 1
1 84 . 3 1 1 A 6 6 ASP N N 6 115.528 119.709 -4.181 1
1 85 . 3 1 1 A 7 7 MET H H 7 7.545 7.644 -0.099 1
1 86 . 3 1 1 A 7 7 MET HA H 7 4.037 4.627 -0.590 1
1 94 . 3 1 1 A 7 7 MET C C 7 174.214 175.890 -1.676 1
1 95 . 3 1 1 A 7 7 MET CA C 7 57.578 55.147 2.431 1
1 96 . 3 1 1 A 7 7 MET CB C 7 33.295 33.478 -0.183 1
1 99 . 3 1 1 A 7 7 MET N N 7 119.925 118.821 1.104 1
1 100 . 3 1 1 A 8 8 ILE H H 8 8.721 8.680 0.041 1
1 101 . 3 1 1 A 8 8 ILE HA H 8 4.110 4.172 -0.062 1
1 111 . 3 1 1 A 8 8 ILE C C 8 178.731 176.169 2.562 1
1 112 . 3 1 1 A 8 8 ILE CA C 8 59.060 61.224 -2.164 1
1 113 . 3 1 1 A 8 8 ILE CB C 8 36.472 37.544 -1.072 1
1 117 . 3 1 1 A 8 8 ILE N N 8 121.085 122.819 -1.734 1
1 118 . 3 1 1 A 9 9 ILE H H 9 8.522 8.071 0.451 1
1 119 . 3 1 1 A 9 9 ILE HA H 9 3.238 3.534 -0.296 1
1 129 . 3 1 1 A 9 9 ILE C C 9 178.227 177.243 0.984 1
1 130 . 3 1 1 A 9 9 ILE CA C 9 67.720 65.125 2.595 1
1 131 . 3 1 1 A 9 9 ILE CB C 9 37.078 37.462 -0.384 1
1 135 . 3 1 1 A 9 9 ILE N N 9 128.907 125.446 3.461 1
1 136 . 3 1 1 A 10 10 ALA H H 10 8.578 8.312 0.266 1
1 137 . 3 1 1 A 10 10 ALA HA H 10 3.837 3.951 -0.114 1
1 141 . 3 1 1 A 10 10 ALA C C 10 179.790 179.648 0.142 1
1 142 . 3 1 1 A 10 10 ALA CA C 10 55.447 55.031 0.416 1
1 143 . 3 1 1 A 10 10 ALA CB C 10 19.000 18.091 0.909 1
1 144 . 3 1 1 A 10 10 ALA N N 10 118.416 121.433 -3.017 1
1 145 . 3 1 1 A 11 11 ASP H H 11 7.100 8.035 -0.935 1
1 146 . 3 1 1 A 11 11 ASP HA H 11 4.380 4.380 0.000 1
1 149 . 3 1 1 A 11 11 ASP C C 11 178.903 178.579 0.324 1
1 150 . 3 1 1 A 11 11 ASP CA C 11 56.979 57.139 -0.160 1
1 151 . 3 1 1 A 11 11 ASP CB C 11 39.520 41.032 -1.512 1
1 152 . 3 1 1 A 11 11 ASP N N 11 116.224 118.678 -2.454 1
1 153 . 3 1 1 A 12 12 VAL H H 12 7.723 8.155 -0.432 1
1 154 . 3 1 1 A 12 12 VAL HA H 12 3.862 3.730 0.132 1
1 162 . 3 1 1 A 12 12 VAL C C 12 177.664 178.336 -0.672 1
1 163 . 3 1 1 A 12 12 VAL CA C 12 66.656 66.871 -0.215 1
1 164 . 3 1 1 A 12 12 VAL CB C 12 31.980 31.505 0.475 1
1 167 . 3 1 1 A 12 12 VAL N N 12 123.054 120.221 2.833 1
1 168 . 3 1 1 A 13 13 LEU H H 13 7.995 8.255 -0.260 1
1 169 . 3 1 1 A 13 13 LEU HA H 13 3.945 4.089 -0.144 1
1 179 . 3 1 1 A 13 13 LEU C C 13 175.458 179.664 -4.206 1
1 180 . 3 1 1 A 13 13 LEU CA C 13 57.259 57.883 -0.624 1
1 181 . 3 1 1 A 13 13 LEU CB C 13 42.140 40.836 1.304 1
1 185 . 3 1 1 A 13 13 LEU N N 13 118.291 120.048 -1.757 1
1 186 . 3 1 1 A 14 14 GLN H H 14 7.580 7.772 -0.192 1
1 187 . 3 1 1 A 14 14 GLN HA H 14 3.988 4.161 -0.173 1
1 194 . 3 1 1 A 14 14 GLN C C 14 178.311 179.169 -0.858 1
1 195 . 3 1 1 A 14 14 GLN CA C 14 57.659 58.837 -1.178 1
1 196 . 3 1 1 A 14 14 GLN CB C 14 28.700 28.373 0.327 1
1 198 . 3 1 1 A 14 14 GLN N N 14 114.621 118.622 -4.001 1
1 200 . 3 1 1 A 15 15 MET H H 15 7.675 7.715 -0.040 1
1 201 . 3 1 1 A 15 15 MET HA H 15 4.069 4.419 -0.350 1
1 209 . 3 1 1 A 15 15 MET C C 15 177.780 176.384 1.396 1
1 210 . 3 1 1 A 15 15 MET CA C 15 59.420 58.918 0.502 1
1 211 . 3 1 1 A 15 15 MET CB C 15 33.423 33.507 -0.084 1
1 214 . 3 1 1 A 15 15 MET N N 15 119.587 118.941 0.646 1
1 215 . 3 1 1 A 16 16 ASP H H 16 7.520 7.870 -0.350 1
1 216 . 3 1 1 A 16 16 ASP HA H 16 4.613 4.964 -0.351 1
1 219 . 3 1 1 A 16 16 ASP C C 16 175.706 176.008 -0.302 1
1 220 . 3 1 1 A 16 16 ASP CA C 16 55.090 53.602 1.488 1
1 221 . 3 1 1 A 16 16 ASP CB C 16 43.460 42.919 0.541 1
1 222 . 3 1 1 A 16 16 ASP N N 16 113.838 116.752 -2.914 1
1 223 . 3 1 1 A 17 17 ARG H H 17 9.352 8.918 0.434 1
1 224 . 3 1 1 A 17 17 ARG HA H 17 4.253 4.078 0.175 1
1 231 . 3 1 1 A 17 17 ARG C C 17 178.889 177.939 0.950 1
1 232 . 3 1 1 A 17 17 ARG CA C 17 58.566 59.109 -0.543 1
1 233 . 3 1 1 A 17 17 ARG CB C 17 29.280 29.854 -0.574 1
1 236 . 3 1 1 A 17 17 ARG N N 17 131.098 125.532 5.566 1
1 237 . 3 1 1 A 18 18 GLY H H 18 9.534 8.263 1.271 1
1 238 . 3 1 1 A 18 18 GLY HA2 H 18 3.857 3.919 -0.062 1
1 239 . 3 1 1 A 18 18 GLY HA3 H 18 3.946 4.000 -0.054 1
1 240 . 3 1 1 A 18 18 GLY C C 18 173.747 175.353 -1.606 1
1 241 . 3 1 1 A 18 18 GLY CA C 18 45.820 46.050 -0.230 1
1 242 . 3 1 1 A 18 18 GLY N N 18 111.218 108.310 2.908 1
1 243 . 3 1 1 A 19 19 THR H H 19 7.486 7.852 -0.366 1
1 244 . 3 1 1 A 19 19 THR HA H 19 3.293 3.604 -0.311 1
1 249 . 3 1 1 A 19 19 THR C C 19 177.067 176.643 0.424 1
1 250 . 3 1 1 A 19 19 THR CA C 19 63.090 63.906 -0.816 1
1 251 . 3 1 1 A 19 19 THR CB C 19 69.960 68.352 1.608 1
1 253 . 3 1 1 A 19 19 THR N N 19 106.889 111.522 -4.633 1
1 254 . 3 1 1 A 20 20 ALA H H 20 7.648 8.049 -0.401 1
1 255 . 3 1 1 A 20 20 ALA HA H 20 4.246 4.270 -0.024 1
1 259 . 3 1 1 A 20 20 ALA CA C 20 57.780 57.111 0.669 1
1 260 . 3 1 1 A 20 20 ALA CB C 20 15.960 17.003 -1.043 1
1 261 . 3 1 1 A 20 20 ALA N N 20 125.258 125.544 -0.286 1
1 262 . 3 1 1 A 21 21 PRO HA H 21 4.169 4.338 -0.169 1
1 269 . 3 1 1 A 21 21 PRO C C 21 177.812 179.116 -1.304 1
1 270 . 3 1 1 A 21 21 PRO CA C 21 65.630 65.578 0.052 1
1 271 . 3 1 1 A 21 21 PRO CB C 21 31.220 30.906 0.314 1
1 274 . 3 1 1 A 22 22 ILE H H 22 7.120 6.933 0.187 1
1 275 . 3 1 1 A 22 22 ILE HA H 22 3.622 3.746 -0.124 1
1 285 . 3 1 1 A 22 22 ILE C C 22 179.561 177.932 1.629 1
1 286 . 3 1 1 A 22 22 ILE CA C 22 64.640 63.960 0.680 1
1 287 . 3 1 1 A 22 22 ILE CB C 22 37.200 37.297 -0.097 1
1 291 . 3 1 1 A 22 22 ILE N N 22 117.089 116.872 0.217 1
1 292 . 3 1 1 A 23 23 PHE H H 23 7.411 7.538 -0.127 1
1 293 . 3 1 1 A 23 23 PHE HA H 23 3.919 4.291 -0.372 1
1 301 . 3 1 1 A 23 23 PHE C C 23 178.486 178.211 0.275 1
1 302 . 3 1 1 A 23 23 PHE CA C 23 63.450 60.940 2.510 1
1 303 . 3 1 1 A 23 23 PHE CB C 23 38.740 38.714 0.026 1
1 309 . 3 1 1 A 23 23 PHE N N 23 118.753 118.485 0.268 1
1 310 . 3 1 1 A 24 24 ILE H H 24 8.077 8.562 -0.485 1
1 311 . 3 1 1 A 24 24 ILE HA H 24 3.503 3.695 -0.192 1
1 321 . 3 1 1 A 24 24 ILE C C 24 180.431 177.929 2.502 1
1 322 . 3 1 1 A 24 24 ILE CA C 24 64.997 65.589 -0.592 1
1 323 . 3 1 1 A 24 24 ILE CB C 24 38.110 37.906 0.204 1
1 327 . 3 1 1 A 24 24 ILE N N 24 120.410 119.838 0.572 1
1 328 . 3 1 1 A 25 25 ASN H H 25 8.971 8.554 0.417 1
1 329 . 3 1 1 A 25 25 ASN HA H 25 4.453 4.363 0.090 1
1 334 . 3 1 1 A 25 25 ASN C C 25 176.784 177.642 -0.858 1
1 335 . 3 1 1 A 25 25 ASN CA C 25 55.321 56.808 -1.487 1
1 336 . 3 1 1 A 25 25 ASN CB C 25 37.880 39.502 -1.622 1
1 337 . 3 1 1 A 25 25 ASN N N 25 120.191 119.025 1.166 1
1 339 . 3 1 1 A 26 26 ASN H H 26 7.315 7.759 -0.444 1
1 340 . 3 1 1 A 26 26 ASN HA H 26 4.601 4.751 -0.150 1
1 345 . 3 1 1 A 26 26 ASN C C 26 173.732 175.613 -1.881 1
1 346 . 3 1 1 A 26 26 ASN CA C 26 54.840 53.420 1.420 1
1 347 . 3 1 1 A 26 26 ASN CB C 26 40.890 38.664 2.226 1
1 348 . 3 1 1 A 26 26 ASN N N 26 116.500 114.371 2.129 1
1 350 . 3 1 1 A 27 27 GLY H H 27 7.880 7.970 -0.090 1
1 351 . 3 1 1 A 27 27 GLY HA2 H 27 4.305 4.014 0.291 1
1 352 . 3 1 1 A 27 27 GLY HA3 H 27 3.570 4.063 -0.493 1
1 353 . 3 1 1 A 27 27 GLY CA C 27 45.308 45.080 0.228 1
1 354 . 3 1 1 A 27 27 GLY N N 27 104.918 106.620 -1.702 1
1 355 . 3 1 1 A 28 28 MET H H 28 7.948 8.066 -0.118 1
1 356 . 3 1 1 A 28 28 MET HA H 28 4.190 4.367 -0.177 1
1 364 . 3 1 1 A 28 28 MET C C 28 174.147 175.174 -1.027 1
1 365 . 3 1 1 A 28 28 MET CA C 28 54.335 56.045 -1.710 1
1 366 . 3 1 1 A 28 28 MET CB C 28 31.978 33.088 -1.110 1
1 369 . 3 1 1 A 28 28 MET N N 28 120.940 120.939 0.001 1
1 370 . 3 1 1 A 29 29 HIS H H 29 7.994 8.524 -0.530 1
1 371 . 3 1 1 A 29 29 HIS HA H 29 4.592 4.960 -0.368 1
1 375 . 3 1 1 A 29 29 HIS C C 29 177.664 173.306 4.358 1
1 376 . 3 1 1 A 29 29 HIS CA C 29 56.178 54.716 1.462 1
1 377 . 3 1 1 A 29 29 HIS CB C 29 30.190 31.303 -1.113 1
1 378 . 3 1 1 A 29 29 HIS N N 29 121.779 122.568 -0.789 1
1 379 . 3 1 1 A 30 30 CYS H H 30 7.867 8.910 -1.043 1
1 380 . 3 1 1 A 30 30 CYS HA H 30 4.555 4.251 0.304 1
1 383 . 3 1 1 A 30 30 CYS C C 30 174.265 173.458 0.807 1
1 384 . 3 1 1 A 30 30 CYS CA C 30 57.398 58.388 -0.990 1
1 385 . 3 1 1 A 30 30 CYS CB C 30 28.234 26.038 2.196 1
1 386 . 3 1 1 A 30 30 CYS N N 30 116.200 127.446 -11.246 1
1 387 . 3 1 1 A 31 31 LEU H H 31 7.845 7.918 -0.073 1
1 388 . 3 1 1 A 31 31 LEU HA H 31 4.045 4.489 -0.444 1
1 398 . 3 1 1 A 31 31 LEU C C 31 177.285 175.687 1.598 1
1 399 . 3 1 1 A 31 31 LEU CA C 31 56.415 54.197 2.218 1
1 400 . 3 1 1 A 31 31 LEU CB C 31 41.172 44.486 -3.314 1
1 404 . 3 1 1 A 31 31 LEU N N 31 122.518 126.199 -3.681 1
1 405 . 3 1 1 A 32 32 GLY H H 32 8.292 8.389 -0.097 1
1 406 . 3 1 1 A 32 32 GLY HA2 H 32 3.852 4.054 -0.202 1
1 407 . 3 1 1 A 32 32 GLY HA3 H 32 3.852 4.068 -0.216 1
1 408 . 3 1 1 A 32 32 GLY C C 32 173.868 173.974 -0.106 1
1 409 . 3 1 1 A 32 32 GLY CA C 32 45.182 45.721 -0.539 1
1 410 . 3 1 1 A 32 32 GLY N N 32 108.193 112.314 -4.121 1
1 411 . 3 1 1 A 33 33 CYS H H 33 7.747 7.822 -0.075 1
1 412 . 3 1 1 A 33 33 CYS HA H 33 4.826 4.897 -0.071 1
1 415 . 3 1 1 A 33 33 CYS CA C 33 56.005 56.410 -0.405 1
1 416 . 3 1 1 A 33 33 CYS CB C 33 27.330 29.453 -2.123 1
1 417 . 3 1 1 A 33 33 CYS N N 33 120.574 119.710 0.864 1
1 418 . 3 1 1 A 34 34 PRO HA H 34 4.179 4.286 -0.107 1
1 425 . 3 1 1 A 34 34 PRO C C 34 178.582 177.388 1.194 1
1 426 . 3 1 1 A 34 34 PRO CA C 34 65.610 64.592 1.018 1
1 427 . 3 1 1 A 34 34 PRO CB C 34 32.071 32.078 -0.007 1
1 430 . 3 1 1 A 35 35 SER H H 35 8.315 8.279 0.036 1
1 431 . 3 1 1 A 35 35 SER HA H 35 4.209 4.218 -0.009 1
1 434 . 3 1 1 A 35 35 SER C C 35 177.910 176.866 1.044 1
1 435 . 3 1 1 A 35 35 SER CA C 35 60.704 60.685 0.019 1
1 436 . 3 1 1 A 35 35 SER CB C 35 62.590 63.150 -0.560 1
1 437 . 3 1 1 A 35 35 SER N N 35 112.899 112.657 0.242 1
1 438 . 3 1 1 A 36 36 SER H H 36 7.903 7.644 0.259 1
1 439 . 3 1 1 A 36 36 SER HA H 36 4.432 4.278 0.154 1
1 442 . 3 1 1 A 36 36 SER C C 36 175.084 175.130 -0.046 1
1 443 . 3 1 1 A 36 36 SER CA C 36 60.336 61.397 -1.061 1
1 444 . 3 1 1 A 36 36 SER CB C 36 63.920 63.050 0.870 1
1 445 . 3 1 1 A 36 36 SER N N 36 117.747 116.800 0.947 1
1 446 . 3 1 1 A 37 37 MET H H 37 7.646 7.708 -0.062 1
1 447 . 3 1 1 A 37 37 MET HA H 37 4.114 4.249 -0.135 1
1 455 . 3 1 1 A 37 37 MET C C 37 175.617 177.615 -1.998 1
1 456 . 3 1 1 A 37 37 MET CA C 37 56.922 57.168 -0.246 1
1 457 . 3 1 1 A 37 37 MET CB C 37 32.891 32.870 0.021 1
1 460 . 3 1 1 A 37 37 MET N N 37 117.790 119.046 -1.256 1
1 461 . 3 1 1 A 38 38 GLY H H 38 7.742 8.164 -0.422 1
1 462 . 3 1 1 A 38 38 GLY HA2 H 38 4.156 3.952 0.204 1
1 463 . 3 1 1 A 38 38 GLY HA3 H 38 3.623 3.956 -0.333 1
1 464 . 3 1 1 A 38 38 GLY C C 38 174.147 173.958 0.189 1
1 465 . 3 1 1 A 38 38 GLY CA C 38 45.260 45.460 -0.200 1
1 466 . 3 1 1 A 38 38 GLY N N 38 104.897 107.837 -2.940 1
1 467 . 3 1 1 A 39 39 GLU H H 39 7.288 7.530 -0.242 1
1 468 . 3 1 1 A 39 39 GLU HA H 39 4.539 4.570 -0.031 1
1 473 . 3 1 1 A 39 39 GLU C C 39 173.845 176.210 -2.365 1
1 474 . 3 1 1 A 39 39 GLU CA C 39 54.885 54.600 0.285 1
1 475 . 3 1 1 A 39 39 GLU CB C 39 31.980 30.987 0.993 1
1 477 . 3 1 1 A 39 39 GLU N N 39 119.469 119.237 0.232 1
1 478 . 3 1 1 A 40 40 SER H H 40 9.174 8.781 0.393 1
1 479 . 3 1 1 A 40 40 SER HA H 40 4.847 4.957 -0.110 1
1 482 . 3 1 1 A 40 40 SER C C 40 175.082 176.183 -1.101 1
1 483 . 3 1 1 A 40 40 SER CA C 40 56.757 57.371 -0.614 1
1 484 . 3 1 1 A 40 40 SER CB C 40 65.397 65.514 -0.117 1
1 485 . 3 1 1 A 40 40 SER N N 40 115.819 114.796 1.023 1
1 486 . 3 1 1 A 41 41 ILE H H 41 8.739 8.941 -0.202 1
1 487 . 3 1 1 A 41 41 ILE HA H 41 3.512 3.761 -0.249 1
1 497 . 3 1 1 A 41 41 ILE C C 41 178.832 177.760 1.072 1
1 498 . 3 1 1 A 41 41 ILE CA C 41 67.190 65.789 1.401 1
1 499 . 3 1 1 A 41 41 ILE CB C 41 38.460 37.945 0.515 1
1 503 . 3 1 1 A 41 41 ILE N N 41 121.236 122.436 -1.200 1
1 504 . 3 1 1 A 42 42 GLU H H 42 8.932 8.651 0.281 1
1 505 . 3 1 1 A 42 42 GLU HA H 42 3.826 4.040 -0.214 1
1 510 . 3 1 1 A 42 42 GLU C C 42 178.134 178.521 -0.387 1
1 511 . 3 1 1 A 42 42 GLU CA C 42 59.860 59.392 0.468 1
1 512 . 3 1 1 A 42 42 GLU CB C 42 29.286 29.123 0.163 1
1 514 . 3 1 1 A 42 42 GLU N N 42 117.512 120.007 -2.495 1
1 515 . 3 1 1 A 43 43 ASP H H 43 8.090 7.997 0.093 1
1 516 . 3 1 1 A 43 43 ASP HA H 43 4.428 4.365 0.063 1
1 519 . 3 1 1 A 43 43 ASP C C 43 179.021 178.147 0.874 1
1 520 . 3 1 1 A 43 43 ASP CA C 43 57.460 57.728 -0.268 1
1 521 . 3 1 1 A 43 43 ASP CB C 43 39.485 41.358 -1.873 1
1 522 . 3 1 1 A 43 43 ASP N N 43 122.750 120.570 2.180 1
1 523 . 3 1 1 A 44 44 ALA H H 44 8.807 8.246 0.561 1
1 524 . 3 1 1 A 44 44 ALA HA H 44 4.242 4.297 -0.055 1
1 528 . 3 1 1 A 44 44 ALA C C 44 181.423 179.975 1.448 1
1 529 . 3 1 1 A 44 44 ALA CA C 44 55.260 55.205 0.055 1
1 530 . 3 1 1 A 44 44 ALA CB C 44 19.775 17.769 2.006 1
1 531 . 3 1 1 A 44 44 ALA N N 44 123.434 120.937 2.497 1
1 532 . 3 1 1 A 45 45 CYS H H 45 8.663 8.357 0.306 1
1 533 . 3 1 1 A 45 45 CYS HA H 45 4.039 4.197 -0.158 1
1 536 . 3 1 1 A 45 45 CYS C C 45 176.954 177.466 -0.512 1
1 537 . 3 1 1 A 45 45 CYS CA C 45 65.300 62.752 2.548 1
1 538 . 3 1 1 A 45 45 CYS CB C 45 26.940 26.387 0.553 1
1 539 . 3 1 1 A 45 45 CYS N N 45 115.424 116.249 -0.825 1
1 540 . 3 1 1 A 46 46 ALA H H 46 7.844 7.880 -0.036 1
1 541 . 3 1 1 A 46 46 ALA HA H 46 4.274 4.058 0.216 1
1 545 . 3 1 1 A 46 46 ALA C C 46 180.730 180.377 0.353 1
1 546 . 3 1 1 A 46 46 ALA CA C 46 55.127 55.164 -0.037 1
1 547 . 3 1 1 A 46 46 ALA CB C 46 18.020 18.320 -0.300 1
1 548 . 3 1 1 A 46 46 ALA N N 46 122.366 122.454 -0.088 1
1 549 . 3 1 1 A 47 47 VAL H H 47 7.503 7.781 -0.278 1
1 550 . 3 1 1 A 47 47 VAL HA H 47 3.690 3.675 0.015 1
1 558 . 3 1 1 A 47 47 VAL C C 47 177.652 177.086 0.566 1
1 559 . 3 1 1 A 47 47 VAL CA C 47 65.530 66.588 -1.058 1
1 560 . 3 1 1 A 47 47 VAL CB C 47 32.140 31.772 0.368 1
1 563 . 3 1 1 A 47 47 VAL N N 47 116.850 119.101 -2.251 1
1 564 . 3 1 1 A 48 48 HIS H H 48 7.496 7.625 -0.129 1
1 565 . 3 1 1 A 48 48 HIS HA H 48 4.629 4.700 -0.071 1
1 569 . 3 1 1 A 48 48 HIS C C 48 174.865 175.472 -0.607 1
1 570 . 3 1 1 A 48 48 HIS CA C 48 56.985 56.821 0.164 1
1 571 . 3 1 1 A 48 48 HIS CB C 48 31.033 30.348 0.685 1
1 573 . 3 1 1 A 48 48 HIS N N 48 114.271 118.920 -4.649 1
1 574 . 3 1 1 A 49 49 GLY H H 49 7.846 7.819 0.027 1
1 575 . 3 1 1 A 49 49 GLY HA2 H 49 4.002 3.811 0.191 1
1 576 . 3 1 1 A 49 49 GLY HA3 H 49 4.002 3.844 0.158 1
1 577 . 3 1 1 A 49 49 GLY C C 49 174.536 174.533 0.003 1
1 578 . 3 1 1 A 49 49 GLY CA C 49 47.189 45.806 1.383 1
1 579 . 3 1 1 A 49 49 GLY N N 49 110.669 108.150 2.519 1
1 580 . 3 1 1 A 50 50 ILE H H 50 8.126 8.172 -0.046 1
1 581 . 3 1 1 A 50 50 ILE HA H 50 4.295 4.148 0.147 1
1 591 . 3 1 1 A 50 50 ILE C C 50 175.038 175.268 -0.230 1
1 592 . 3 1 1 A 50 50 ILE CA C 50 59.759 61.204 -1.445 1
1 593 . 3 1 1 A 50 50 ILE CB C 50 41.222 38.681 2.541 1
1 597 . 3 1 1 A 50 50 ILE N N 50 119.905 122.988 -3.083 1
1 598 . 3 1 1 A 51 51 ASP H H 51 8.497 8.557 -0.060 1
1 599 . 3 1 1 A 51 51 ASP HA H 51 4.523 4.827 -0.304 1
1 602 . 3 1 1 A 51 51 ASP C C 51 175.978 176.714 -0.736 1
1 603 . 3 1 1 A 51 51 ASP CA C 51 54.100 52.878 1.222 1
1 604 . 3 1 1 A 51 51 ASP CB C 51 40.990 41.384 -0.394 1
1 605 . 3 1 1 A 51 51 ASP N N 51 124.951 126.507 -1.556 1
1 606 . 3 1 1 A 52 52 ALA H H 52 8.791 9.090 -0.299 1
1 607 . 3 1 1 A 52 52 ALA HA H 52 4.329 4.026 0.303 1
1 611 . 3 1 1 A 52 52 ALA CA C 52 55.070 55.112 -0.042 1
1 612 . 3 1 1 A 52 52 ALA CB C 52 19.480 18.197 1.283 1
1 613 . 3 1 1 A 52 52 ALA N N 52 131.766 129.165 2.601 1
1 614 . 3 1 1 A 53 53 ASP H H 53 8.082 8.204 -0.122 1
1 615 . 3 1 1 A 53 53 ASP HA H 53 4.321 4.379 -0.058 1
1 618 . 3 1 1 A 53 53 ASP CA C 53 57.500 57.766 -0.266 1
1 619 . 3 1 1 A 53 53 ASP CB C 53 39.940 42.199 -2.259 1
1 620 . 3 1 1 A 53 53 ASP N N 53 116.960 118.550 -1.590 1
1 621 . 3 1 1 A 54 54 LYS H H 54 7.762 7.762 0.000 1
1 622 . 3 1 1 A 54 54 LYS HA H 54 3.958 4.081 -0.123 1
1 631 . 3 1 1 A 54 54 LYS C C 54 177.748 178.880 -1.132 1
1 632 . 3 1 1 A 54 54 LYS CA C 54 59.355 59.312 0.043 1
1 633 . 3 1 1 A 54 54 LYS CB C 54 32.920 32.309 0.611 1
1 637 . 3 1 1 A 54 54 LYS N N 54 123.420 119.036 4.384 1
1 638 . 3 1 1 A 55 55 LEU H H 55 7.337 7.693 -0.356 1
1 639 . 3 1 1 A 55 55 LEU HA H 55 3.822 3.994 -0.172 1
1 649 . 3 1 1 A 55 55 LEU C C 55 177.966 178.296 -0.330 1
1 650 . 3 1 1 A 55 55 LEU CA C 55 58.258 58.348 -0.090 1
1 651 . 3 1 1 A 55 55 LEU CB C 55 41.908 41.463 0.445 1
1 655 . 3 1 1 A 55 55 LEU N N 55 119.522 121.851 -2.329 1
1 656 . 3 1 1 A 56 56 VAL H H 56 8.503 8.532 -0.029 1
1 657 . 3 1 1 A 56 56 VAL HA H 56 3.378 3.411 -0.033 1
1 665 . 3 1 1 A 56 56 VAL C C 56 177.576 178.147 -0.571 1
1 666 . 3 1 1 A 56 56 VAL CA C 56 67.460 66.692 0.768 1
1 667 . 3 1 1 A 56 56 VAL CB C 56 31.560 31.371 0.189 1
1 670 . 3 1 1 A 56 56 VAL N N 56 117.548 119.294 -1.746 1
1 671 . 3 1 1 A 57 57 LYS H H 57 8.003 7.933 0.070 1
1 672 . 3 1 1 A 57 57 LYS HA H 57 4.200 3.895 0.305 1
1 681 . 3 1 1 A 57 57 LYS C C 57 179.196 180.246 -1.050 1
1 682 . 3 1 1 A 57 57 LYS CA C 57 60.130 60.399 -0.269 1
1 683 . 3 1 1 A 57 57 LYS CB C 57 32.383 32.239 0.144 1
1 687 . 3 1 1 A 57 57 LYS N N 57 122.289 119.058 3.231 1
1 688 . 3 1 1 A 58 58 GLU H H 58 8.035 7.933 0.102 1
1 689 . 3 1 1 A 58 58 GLU HA H 58 4.010 4.051 -0.041 1
1 694 . 3 1 1 A 58 58 GLU CA C 58 59.975 59.132 0.843 1
1 695 . 3 1 1 A 58 58 GLU CB C 58 29.430 29.282 0.148 1
1 697 . 3 1 1 A 58 58 GLU N N 58 119.482 120.655 -1.173 1
1 698 . 3 1 1 A 59 59 LEU H H 59 8.560 8.155 0.405 1
1 699 . 3 1 1 A 59 59 LEU HA H 59 3.998 3.924 0.074 1
1 709 . 3 1 1 A 59 59 LEU C C 59 178.239 179.263 -1.024 1
1 710 . 3 1 1 A 59 59 LEU CA C 59 58.200 57.824 0.376 1
1 711 . 3 1 1 A 59 59 LEU CB C 59 42.695 41.717 0.978 1
1 715 . 3 1 1 A 59 59 LEU N N 59 121.725 120.607 1.118 1
1 716 . 3 1 1 A 60 60 ASN H H 60 8.684 8.750 -0.066 1
1 717 . 3 1 1 A 60 60 ASN HA H 60 4.806 4.582 0.224 1
1 722 . 3 1 1 A 60 60 ASN C C 60 178.495 178.472 0.023 1
1 723 . 3 1 1 A 60 60 ASN CA C 60 57.895 56.690 1.205 1
1 724 . 3 1 1 A 60 60 ASN CB C 60 38.528 37.800 0.728 1
1 725 . 3 1 1 A 60 60 ASN N N 60 117.410 117.493 -0.083 1
1 727 . 3 1 1 A 61 61 GLU H H 61 8.602 8.383 0.219 1
1 728 . 3 1 1 A 61 61 GLU HA H 61 4.040 4.065 -0.025 1
1 733 . 3 1 1 A 61 61 GLU C C 61 178.325 178.857 -0.532 1
1 734 . 3 1 1 A 61 61 GLU CA C 61 59.814 59.539 0.275 1
1 735 . 3 1 1 A 61 61 GLU CB C 61 29.610 29.596 0.014 1
1 737 . 3 1 1 A 61 61 GLU N N 61 121.480 119.515 1.965 1
1 738 . 3 1 1 A 62 62 TYR H H 62 7.698 7.779 -0.081 1
1 739 . 3 1 1 A 62 62 TYR HA H 62 3.978 4.212 -0.234 1
1 746 . 3 1 1 A 62 62 TYR C C 62 177.947 177.762 0.185 1
1 747 . 3 1 1 A 62 62 TYR CA C 62 61.600 61.306 0.294 1
1 748 . 3 1 1 A 62 62 TYR CB C 62 37.513 38.161 -0.648 1
1 753 . 3 1 1 A 62 62 TYR N N 62 120.683 121.260 -0.577 1
1 754 . 3 1 1 A 63 63 PHE H H 63 7.982 8.002 -0.020 1
1 755 . 3 1 1 A 63 63 PHE HA H 63 3.932 4.076 -0.144 1
1 763 . 3 1 1 A 63 63 PHE CA C 63 63.262 62.356 0.906 1
1 764 . 3 1 1 A 63 63 PHE CB C 63 39.120 38.420 0.700 1
1 770 . 3 1 1 A 63 63 PHE N N 63 117.730 118.379 -0.649 1
1 771 . 3 1 1 A 64 64 GLU H H 64 8.554 8.061 0.493 1
1 772 . 3 1 1 A 64 64 GLU HA H 64 4.095 4.102 -0.007 1
1 777 . 3 1 1 A 64 64 GLU C C 64 178.921 179.477 -0.556 1
1 778 . 3 1 1 A 64 64 GLU CA C 64 59.322 59.748 -0.426 1
1 779 . 3 1 1 A 64 64 GLU CB C 64 29.670 29.155 0.515 1
1 781 . 3 1 1 A 64 64 GLU N N 64 121.392 120.320 1.072 1
1 782 . 3 1 1 A 65 65 LYS H H 65 7.850 7.925 -0.075 1
1 783 . 3 1 1 A 65 65 LYS HA H 65 3.982 4.001 -0.019 1
1 792 . 3 1 1 A 65 65 LYS C C 65 178.374 179.200 -0.826 1
1 793 . 3 1 1 A 65 65 LYS CA C 65 58.638 59.138 -0.500 1
1 794 . 3 1 1 A 65 65 LYS CB C 65 32.110 31.805 0.305 1
1 798 . 3 1 1 A 65 65 LYS N N 65 118.746 119.751 -1.005 1
1 799 . 3 1 1 A 66 66 LYS H H 66 7.503 7.964 -0.461 1
1 800 . 3 1 1 A 66 66 LYS HA H 66 3.880 3.676 0.204 1
1 809 . 3 1 1 A 66 66 LYS C C 66 177.925 179.486 -1.561 1
1 810 . 3 1 1 A 66 66 LYS CA C 66 58.590 60.202 -1.612 1
1 811 . 3 1 1 A 66 66 LYS CB C 66 32.560 32.139 0.421 1
1 815 . 3 1 1 A 66 66 LYS N N 66 119.241 119.727 -0.486 1
1 816 . 3 1 1 A 67 67 GLU H H 67 7.876 8.165 -0.289 1
1 817 . 3 1 1 A 67 67 GLU HA H 67 4.097 4.095 0.002 1
1 822 . 3 1 1 A 67 67 GLU C C 67 178.016 178.446 -0.430 1
1 823 . 3 1 1 A 67 67 GLU CA C 67 58.280 58.913 -0.633 1
1 824 . 3 1 1 A 67 67 GLU CB C 67 29.802 29.475 0.327 1
1 826 . 3 1 1 A 67 67 GLU N N 67 119.096 119.817 -0.721 1
1 827 . 3 1 1 A 68 68 VAL H H 68 7.719 7.458 0.261 1
1 828 . 3 1 1 A 68 68 VAL HA H 68 3.797 3.755 0.042 1
1 836 . 3 1 1 A 68 68 VAL C C 68 177.668 177.881 -0.213 1
1 837 . 3 1 1 A 68 68 VAL CA C 68 64.600 65.516 -0.916 1
1 838 . 3 1 1 A 68 68 VAL CB C 68 32.050 31.883 0.167 1
1 841 . 3 1 1 A 68 68 VAL N N 68 119.409 120.728 -1.319 1
1 842 . 3 1 1 A 69 69 LEU H H 69 7.911 8.450 -0.539 1
1 843 . 3 1 1 A 69 69 LEU HA H 69 4.127 3.788 0.339 1
1 853 . 3 1 1 A 69 69 LEU C C 69 178.438 178.862 -0.424 1
1 854 . 3 1 1 A 69 69 LEU CA C 69 56.461 58.363 -1.902 1
1 855 . 3 1 1 A 69 69 LEU CB C 69 42.153 41.427 0.726 1
1 859 . 3 1 1 A 69 69 LEU N N 69 122.199 118.634 3.565 1
1 14 . 4 1 1 A 2 2 LYS H H 2 8.383 8.770 -0.387 1
1 15 . 4 1 1 A 2 2 LYS HA H 2 4.314 4.899 -0.585 1
1 24 . 4 1 1 A 2 2 LYS C C 2 175.001 175.693 -0.692 1
1 25 . 4 1 1 A 2 2 LYS CA C 2 56.188 54.469 1.719 1
1 26 . 4 1 1 A 2 2 LYS CB C 2 33.481 35.944 -2.463 1
1 30 . 4 1 1 A 2 2 LYS N N 2 124.593 123.418 1.175 1
1 31 . 4 1 1 A 3 3 ILE H H 3 9.639 8.824 0.815 1
1 32 . 4 1 1 A 3 3 ILE HA H 3 4.510 4.275 0.235 1
1 42 . 4 1 1 A 3 3 ILE C C 3 176.337 175.698 0.639 1
1 43 . 4 1 1 A 3 3 ILE CA C 3 58.009 61.954 -3.945 1
1 44 . 4 1 1 A 3 3 ILE CB C 3 36.405 37.984 -1.579 1
1 48 . 4 1 1 A 3 3 ILE N N 3 124.160 123.297 0.863 1
1 49 . 4 1 1 A 4 4 THR H H 4 7.637 7.919 -0.282 1
1 50 . 4 1 1 A 4 4 THR HA H 4 4.795 4.921 -0.126 1
1 55 . 4 1 1 A 4 4 THR C C 4 175.818 175.604 0.214 1
1 56 . 4 1 1 A 4 4 THR CA C 4 59.550 59.070 0.480 1
1 57 . 4 1 1 A 4 4 THR CB C 4 71.365 71.874 -0.509 1
1 59 . 4 1 1 A 4 4 THR N N 4 115.631 117.216 -1.585 1
1 60 . 4 1 1 A 5 5 LYS H H 5 9.100 8.905 0.195 1
1 61 . 4 1 1 A 5 5 LYS HA H 5 3.910 4.097 -0.187 1
1 70 . 4 1 1 A 5 5 LYS C C 5 173.504 177.915 -4.411 1
1 71 . 4 1 1 A 5 5 LYS CA C 5 58.730 58.530 0.200 1
1 72 . 4 1 1 A 5 5 LYS CB C 5 32.584 31.974 0.610 1
1 76 . 4 1 1 A 5 5 LYS N N 5 117.257 119.651 -2.394 1
1 77 . 4 1 1 A 6 6 ASP H H 6 8.542 7.604 0.938 1
1 78 . 4 1 1 A 6 6 ASP HA H 6 4.577 4.664 -0.087 1
1 81 . 4 1 1 A 6 6 ASP C C 6 176.227 176.450 -0.223 1
1 82 . 4 1 1 A 6 6 ASP CA C 6 53.772 55.611 -1.839 1
1 83 . 4 1 1 A 6 6 ASP CB C 6 40.478 41.375 -0.897 1
1 84 . 4 1 1 A 6 6 ASP N N 6 115.528 119.478 -3.950 1
1 85 . 4 1 1 A 7 7 MET H H 7 7.545 7.728 -0.183 1
1 86 . 4 1 1 A 7 7 MET HA H 7 4.037 4.627 -0.590 1
1 94 . 4 1 1 A 7 7 MET C C 7 174.214 175.900 -1.686 1
1 95 . 4 1 1 A 7 7 MET CA C 7 57.578 55.092 2.486 1
1 96 . 4 1 1 A 7 7 MET CB C 7 33.295 33.681 -0.386 1
1 99 . 4 1 1 A 7 7 MET N N 7 119.925 119.238 0.687 1
1 100 . 4 1 1 A 8 8 ILE H H 8 8.721 8.675 0.046 1
1 101 . 4 1 1 A 8 8 ILE HA H 8 4.110 4.219 -0.109 1
1 111 . 4 1 1 A 8 8 ILE C C 8 178.731 176.873 1.858 1
1 112 . 4 1 1 A 8 8 ILE CA C 8 59.060 61.524 -2.464 1
1 113 . 4 1 1 A 8 8 ILE CB C 8 36.472 38.182 -1.710 1
1 117 . 4 1 1 A 8 8 ILE N N 8 121.085 122.512 -1.427 1
1 118 . 4 1 1 A 9 9 ILE H H 9 8.522 8.670 -0.148 1
1 119 . 4 1 1 A 9 9 ILE HA H 9 3.238 3.569 -0.331 1
1 129 . 4 1 1 A 9 9 ILE C C 9 178.227 177.304 0.923 1
1 130 . 4 1 1 A 9 9 ILE CA C 9 67.720 64.967 2.753 1
1 131 . 4 1 1 A 9 9 ILE CB C 9 37.078 37.441 -0.363 1
1 135 . 4 1 1 A 9 9 ILE N N 9 128.907 124.348 4.559 1
1 136 . 4 1 1 A 10 10 ALA H H 10 8.578 8.336 0.242 1
1 137 . 4 1 1 A 10 10 ALA HA H 10 3.837 3.948 -0.111 1
1 141 . 4 1 1 A 10 10 ALA C C 10 179.790 179.151 0.639 1
1 142 . 4 1 1 A 10 10 ALA CA C 10 55.447 55.436 0.011 1
1 143 . 4 1 1 A 10 10 ALA CB C 10 19.000 18.066 0.934 1
1 144 . 4 1 1 A 10 10 ALA N N 10 118.416 121.528 -3.112 1
1 145 . 4 1 1 A 11 11 ASP H H 11 7.100 8.124 -1.024 1
1 146 . 4 1 1 A 11 11 ASP HA H 11 4.380 4.366 0.014 1
1 149 . 4 1 1 A 11 11 ASP C C 11 178.903 178.619 0.284 1
1 150 . 4 1 1 A 11 11 ASP CA C 11 56.979 57.560 -0.581 1
1 151 . 4 1 1 A 11 11 ASP CB C 11 39.520 41.467 -1.947 1
1 152 . 4 1 1 A 11 11 ASP N N 11 116.224 118.437 -2.213 1
1 153 . 4 1 1 A 12 12 VAL H H 12 7.723 7.905 -0.182 1
1 154 . 4 1 1 A 12 12 VAL HA H 12 3.862 3.740 0.122 1
1 162 . 4 1 1 A 12 12 VAL C C 12 177.664 178.304 -0.640 1
1 163 . 4 1 1 A 12 12 VAL CA C 12 66.656 66.759 -0.103 1
1 164 . 4 1 1 A 12 12 VAL CB C 12 31.980 31.800 0.180 1
1 167 . 4 1 1 A 12 12 VAL N N 12 123.054 119.821 3.233 1
1 168 . 4 1 1 A 13 13 LEU H H 13 7.995 8.216 -0.221 1
1 169 . 4 1 1 A 13 13 LEU HA H 13 3.945 4.202 -0.257 1
1 179 . 4 1 1 A 13 13 LEU C C 13 175.458 179.234 -3.776 1
1 180 . 4 1 1 A 13 13 LEU CA C 13 57.259 57.872 -0.613 1
1 181 . 4 1 1 A 13 13 LEU CB C 13 42.140 40.970 1.170 1
1 185 . 4 1 1 A 13 13 LEU N N 13 118.291 120.002 -1.711 1
1 186 . 4 1 1 A 14 14 GLN H H 14 7.580 7.930 -0.350 1
1 187 . 4 1 1 A 14 14 GLN HA H 14 3.988 4.350 -0.362 1
1 194 . 4 1 1 A 14 14 GLN C C 14 178.311 177.290 1.021 1
1 195 . 4 1 1 A 14 14 GLN CA C 14 57.659 58.136 -0.477 1
1 196 . 4 1 1 A 14 14 GLN CB C 14 28.700 28.806 -0.106 1
1 198 . 4 1 1 A 14 14 GLN N N 14 114.621 116.806 -2.185 1
1 200 . 4 1 1 A 15 15 MET H H 15 7.675 7.968 -0.293 1
1 201 . 4 1 1 A 15 15 MET HA H 15 4.069 4.539 -0.470 1
1 209 . 4 1 1 A 15 15 MET C C 15 177.780 176.475 1.305 1
1 210 . 4 1 1 A 15 15 MET CA C 15 59.420 57.724 1.696 1
1 211 . 4 1 1 A 15 15 MET CB C 15 33.423 34.472 -1.049 1
1 214 . 4 1 1 A 15 15 MET N N 15 119.587 116.625 2.962 1
1 215 . 4 1 1 A 16 16 ASP H H 16 7.520 7.914 -0.394 1
1 216 . 4 1 1 A 16 16 ASP HA H 16 4.613 5.009 -0.396 1
1 219 . 4 1 1 A 16 16 ASP C C 16 175.706 175.652 0.054 1
1 220 . 4 1 1 A 16 16 ASP CA C 16 55.090 54.237 0.853 1
1 221 . 4 1 1 A 16 16 ASP CB C 16 43.460 44.431 -0.971 1
1 222 . 4 1 1 A 16 16 ASP N N 16 113.838 116.684 -2.846 1
1 223 . 4 1 1 A 17 17 ARG H H 17 9.352 8.962 0.390 1
1 224 . 4 1 1 A 17 17 ARG HA H 17 4.253 4.122 0.131 1
1 231 . 4 1 1 A 17 17 ARG C C 17 178.889 178.053 0.836 1
1 232 . 4 1 1 A 17 17 ARG CA C 17 58.566 59.004 -0.438 1
1 233 . 4 1 1 A 17 17 ARG CB C 17 29.280 29.909 -0.629 1
1 236 . 4 1 1 A 17 17 ARG N N 17 131.098 125.368 5.730 1
1 237 . 4 1 1 A 18 18 GLY H H 18 9.534 8.243 1.291 1
1 238 . 4 1 1 A 18 18 GLY HA2 H 18 3.857 3.932 -0.075 1
1 239 . 4 1 1 A 18 18 GLY HA3 H 18 3.946 3.989 -0.043 1
1 240 . 4 1 1 A 18 18 GLY C C 18 173.747 175.419 -1.672 1
1 241 . 4 1 1 A 18 18 GLY CA C 18 45.820 46.076 -0.256 1
1 242 . 4 1 1 A 18 18 GLY N N 18 111.218 108.289 2.929 1
1 243 . 4 1 1 A 19 19 THR H H 19 7.486 7.645 -0.159 1
1 244 . 4 1 1 A 19 19 THR HA H 19 3.293 3.695 -0.402 1
1 249 . 4 1 1 A 19 19 THR C C 19 177.067 176.760 0.307 1
1 250 . 4 1 1 A 19 19 THR CA C 19 63.090 64.154 -1.064 1
1 251 . 4 1 1 A 19 19 THR CB C 19 69.960 68.393 1.567 1
1 253 . 4 1 1 A 19 19 THR N N 19 106.889 111.632 -4.743 1
1 254 . 4 1 1 A 20 20 ALA H H 20 7.648 8.234 -0.586 1
1 255 . 4 1 1 A 20 20 ALA HA H 20 4.246 4.311 -0.065 1
1 259 . 4 1 1 A 20 20 ALA CA C 20 57.780 57.146 0.634 1
1 260 . 4 1 1 A 20 20 ALA CB C 20 15.960 16.953 -0.993 1
1 261 . 4 1 1 A 20 20 ALA N N 20 125.258 124.900 0.358 1
1 262 . 4 1 1 A 21 21 PRO HA H 21 4.169 4.348 -0.179 1
1 269 . 4 1 1 A 21 21 PRO C C 21 177.812 178.803 -0.991 1
1 270 . 4 1 1 A 21 21 PRO CA C 21 65.630 65.347 0.283 1
1 271 . 4 1 1 A 21 21 PRO CB C 21 31.220 31.127 0.093 1
1 274 . 4 1 1 A 22 22 ILE H H 22 7.120 6.976 0.144 1
1 275 . 4 1 1 A 22 22 ILE HA H 22 3.622 3.723 -0.101 1
1 285 . 4 1 1 A 22 22 ILE C C 22 179.561 177.995 1.566 1
1 286 . 4 1 1 A 22 22 ILE CA C 22 64.640 63.915 0.725 1
1 287 . 4 1 1 A 22 22 ILE CB C 22 37.200 37.354 -0.154 1
1 291 . 4 1 1 A 22 22 ILE N N 22 117.089 117.064 0.025 1
1 292 . 4 1 1 A 23 23 PHE H H 23 7.411 7.791 -0.380 1
1 293 . 4 1 1 A 23 23 PHE HA H 23 3.919 4.264 -0.345 1
1 301 . 4 1 1 A 23 23 PHE C C 23 178.486 178.180 0.306 1
1 302 . 4 1 1 A 23 23 PHE CA C 23 63.450 60.759 2.691 1
1 303 . 4 1 1 A 23 23 PHE CB C 23 38.740 38.804 -0.064 1
1 309 . 4 1 1 A 23 23 PHE N N 23 118.753 118.858 -0.105 1
1 310 . 4 1 1 A 24 24 ILE H H 24 8.077 8.281 -0.204 1
1 311 . 4 1 1 A 24 24 ILE HA H 24 3.503 4.066 -0.563 1
1 321 . 4 1 1 A 24 24 ILE C C 24 180.431 178.003 2.428 1
1 322 . 4 1 1 A 24 24 ILE CA C 24 64.997 65.588 -0.591 1
1 323 . 4 1 1 A 24 24 ILE CB C 24 38.110 37.743 0.367 1
1 327 . 4 1 1 A 24 24 ILE N N 24 120.410 119.780 0.630 1
1 328 . 4 1 1 A 25 25 ASN H H 25 8.971 8.540 0.431 1
1 329 . 4 1 1 A 25 25 ASN HA H 25 4.453 4.442 0.011 1
1 334 . 4 1 1 A 25 25 ASN C C 25 176.784 176.785 -0.001 1
1 335 . 4 1 1 A 25 25 ASN CA C 25 55.321 56.471 -1.150 1
1 336 . 4 1 1 A 25 25 ASN CB C 25 37.880 39.801 -1.921 1
1 337 . 4 1 1 A 25 25 ASN N N 25 120.191 119.972 0.219 1
1 339 . 4 1 1 A 26 26 ASN H H 26 7.315 7.694 -0.379 1
1 340 . 4 1 1 A 26 26 ASN HA H 26 4.601 4.691 -0.090 1
1 345 . 4 1 1 A 26 26 ASN C C 26 173.732 175.084 -1.352 1
1 346 . 4 1 1 A 26 26 ASN CA C 26 54.840 53.090 1.750 1
1 347 . 4 1 1 A 26 26 ASN CB C 26 40.890 39.292 1.598 1
1 348 . 4 1 1 A 26 26 ASN N N 26 116.500 115.026 1.474 1
1 350 . 4 1 1 A 27 27 GLY H H 27 7.880 7.683 0.197 1
1 351 . 4 1 1 A 27 27 GLY HA2 H 27 4.305 3.613 0.692 1
1 352 . 4 1 1 A 27 27 GLY HA3 H 27 3.570 3.795 -0.225 1
1 353 . 4 1 1 A 27 27 GLY CA C 27 45.308 44.752 0.556 1
1 354 . 4 1 1 A 27 27 GLY N N 27 104.918 105.325 -0.407 1
1 355 . 4 1 1 A 28 28 MET H H 28 7.948 7.756 0.192 1
1 356 . 4 1 1 A 28 28 MET HA H 28 4.190 4.332 -0.142 1
1 364 . 4 1 1 A 28 28 MET C C 28 174.147 174.465 -0.318 1
1 365 . 4 1 1 A 28 28 MET CA C 28 54.335 55.324 -0.989 1
1 366 . 4 1 1 A 28 28 MET CB C 28 31.978 34.302 -2.324 1
1 369 . 4 1 1 A 28 28 MET N N 28 120.940 120.233 0.707 1
1 370 . 4 1 1 A 29 29 HIS H H 29 7.994 8.391 -0.397 1
1 371 . 4 1 1 A 29 29 HIS HA H 29 4.592 5.156 -0.564 1
1 375 . 4 1 1 A 29 29 HIS C C 29 177.664 174.990 2.674 1
1 376 . 4 1 1 A 29 29 HIS CA C 29 56.178 54.974 1.204 1
1 377 . 4 1 1 A 29 29 HIS CB C 29 30.190 34.391 -4.201 1
1 378 . 4 1 1 A 29 29 HIS N N 29 121.779 116.627 5.152 1
1 379 . 4 1 1 A 30 30 CYS H H 30 7.867 8.809 -0.942 1
1 380 . 4 1 1 A 30 30 CYS HA H 30 4.555 4.510 0.045 1
1 383 . 4 1 1 A 30 30 CYS C C 30 174.265 174.419 -0.154 1
1 384 . 4 1 1 A 30 30 CYS CA C 30 57.398 58.508 -1.110 1
1 385 . 4 1 1 A 30 30 CYS CB C 30 28.234 28.570 -0.336 1
1 386 . 4 1 1 A 30 30 CYS N N 30 116.200 119.800 -3.600 1
1 387 . 4 1 1 A 31 31 LEU H H 31 7.845 8.296 -0.451 1
1 388 . 4 1 1 A 31 31 LEU HA H 31 4.045 4.275 -0.230 1
1 398 . 4 1 1 A 31 31 LEU C C 31 177.285 177.317 -0.032 1
1 399 . 4 1 1 A 31 31 LEU CA C 31 56.415 54.308 2.107 1
1 400 . 4 1 1 A 31 31 LEU CB C 31 41.172 40.786 0.386 1
1 404 . 4 1 1 A 31 31 LEU N N 31 122.518 121.851 0.667 1
1 405 . 4 1 1 A 32 32 GLY H H 32 8.292 8.934 -0.642 1
1 406 . 4 1 1 A 32 32 GLY HA2 H 32 3.852 3.946 -0.094 1
1 407 . 4 1 1 A 32 32 GLY HA3 H 32 3.852 3.952 -0.100 1
1 408 . 4 1 1 A 32 32 GLY C C 32 173.868 173.707 0.161 1
1 409 . 4 1 1 A 32 32 GLY CA C 32 45.182 45.642 -0.460 1
1 410 . 4 1 1 A 32 32 GLY N N 32 108.193 113.279 -5.086 1
1 411 . 4 1 1 A 33 33 CYS H H 33 7.747 7.894 -0.147 1
1 412 . 4 1 1 A 33 33 CYS HA H 33 4.826 4.928 -0.102 1
1 415 . 4 1 1 A 33 33 CYS CA C 33 56.005 57.282 -1.277 1
1 416 . 4 1 1 A 33 33 CYS CB C 33 27.330 30.529 -3.199 1
1 417 . 4 1 1 A 33 33 CYS N N 33 120.574 117.946 2.628 1
1 418 . 4 1 1 A 34 34 PRO HA H 34 4.179 4.298 -0.119 1
1 425 . 4 1 1 A 34 34 PRO C C 34 178.582 177.351 1.231 1
1 426 . 4 1 1 A 34 34 PRO CA C 34 65.610 64.948 0.662 1
1 427 . 4 1 1 A 34 34 PRO CB C 34 32.071 32.074 -0.003 1
1 430 . 4 1 1 A 35 35 SER H H 35 8.315 8.292 0.023 1
1 431 . 4 1 1 A 35 35 SER HA H 35 4.209 4.171 0.038 1
1 434 . 4 1 1 A 35 35 SER C C 35 177.910 176.949 0.961 1
1 435 . 4 1 1 A 35 35 SER CA C 35 60.704 61.207 -0.503 1
1 436 . 4 1 1 A 35 35 SER CB C 35 62.590 62.950 -0.360 1
1 437 . 4 1 1 A 35 35 SER N N 35 112.899 112.534 0.365 1
1 438 . 4 1 1 A 36 36 SER H H 36 7.903 8.283 -0.380 1
1 439 . 4 1 1 A 36 36 SER HA H 36 4.432 4.000 0.432 1
1 442 . 4 1 1 A 36 36 SER C C 36 175.084 176.411 -1.327 1
1 443 . 4 1 1 A 36 36 SER CA C 36 60.336 61.231 -0.895 1
1 444 . 4 1 1 A 36 36 SER CB C 36 63.920 62.972 0.948 1
1 445 . 4 1 1 A 36 36 SER N N 36 117.747 115.155 2.592 1
1 446 . 4 1 1 A 37 37 MET H H 37 7.646 7.507 0.139 1
1 447 . 4 1 1 A 37 37 MET HA H 37 4.114 4.267 -0.153 1
1 455 . 4 1 1 A 37 37 MET C C 37 175.617 178.157 -2.540 1
1 456 . 4 1 1 A 37 37 MET CA C 37 56.922 58.285 -1.363 1
1 457 . 4 1 1 A 37 37 MET CB C 37 32.891 32.637 0.254 1
1 460 . 4 1 1 A 37 37 MET N N 37 117.790 119.311 -1.521 1
1 461 . 4 1 1 A 38 38 GLY H H 38 7.742 7.895 -0.153 1
1 462 . 4 1 1 A 38 38 GLY HA2 H 38 4.156 3.959 0.197 1
1 463 . 4 1 1 A 38 38 GLY HA3 H 38 3.623 3.964 -0.341 1
1 464 . 4 1 1 A 38 38 GLY C C 38 174.147 174.339 -0.192 1
1 465 . 4 1 1 A 38 38 GLY CA C 38 45.260 45.520 -0.260 1
1 466 . 4 1 1 A 38 38 GLY N N 38 104.897 107.600 -2.703 1
1 467 . 4 1 1 A 39 39 GLU H H 39 7.288 7.166 0.122 1
1 468 . 4 1 1 A 39 39 GLU HA H 39 4.539 4.404 0.135 1
1 473 . 4 1 1 A 39 39 GLU C C 39 173.845 176.350 -2.505 1
1 474 . 4 1 1 A 39 39 GLU CA C 39 54.885 56.330 -1.445 1
1 475 . 4 1 1 A 39 39 GLU CB C 39 31.980 30.029 1.951 1
1 477 . 4 1 1 A 39 39 GLU N N 39 119.469 120.997 -1.528 1
1 478 . 4 1 1 A 40 40 SER H H 40 9.174 8.933 0.241 1
1 479 . 4 1 1 A 40 40 SER HA H 40 4.847 4.656 0.191 1
1 482 . 4 1 1 A 40 40 SER C C 40 175.082 175.775 -0.693 1
1 483 . 4 1 1 A 40 40 SER CA C 40 56.757 59.066 -2.309 1
1 484 . 4 1 1 A 40 40 SER CB C 40 65.397 63.757 1.640 1
1 485 . 4 1 1 A 40 40 SER N N 40 115.819 119.126 -3.307 1
1 486 . 4 1 1 A 41 41 ILE H H 41 8.739 9.158 -0.419 1
1 487 . 4 1 1 A 41 41 ILE HA H 41 3.512 3.814 -0.302 1
1 497 . 4 1 1 A 41 41 ILE C C 41 178.832 177.676 1.156 1
1 498 . 4 1 1 A 41 41 ILE CA C 41 67.190 65.623 1.567 1
1 499 . 4 1 1 A 41 41 ILE CB C 41 38.460 38.135 0.325 1
1 503 . 4 1 1 A 41 41 ILE N N 41 121.236 124.606 -3.370 1
1 504 . 4 1 1 A 42 42 GLU H H 42 8.932 8.714 0.218 1
1 505 . 4 1 1 A 42 42 GLU HA H 42 3.826 4.055 -0.229 1
1 510 . 4 1 1 A 42 42 GLU C C 42 178.134 178.507 -0.373 1
1 511 . 4 1 1 A 42 42 GLU CA C 42 59.860 59.134 0.726 1
1 512 . 4 1 1 A 42 42 GLU CB C 42 29.286 29.221 0.065 1
1 514 . 4 1 1 A 42 42 GLU N N 42 117.512 120.163 -2.651 1
1 515 . 4 1 1 A 43 43 ASP H H 43 8.090 8.070 0.020 1
1 516 . 4 1 1 A 43 43 ASP HA H 43 4.428 4.360 0.068 1
1 519 . 4 1 1 A 43 43 ASP C C 43 179.021 177.997 1.024 1
1 520 . 4 1 1 A 43 43 ASP CA C 43 57.460 57.391 0.069 1
1 521 . 4 1 1 A 43 43 ASP CB C 43 39.485 41.122 -1.637 1
1 522 . 4 1 1 A 43 43 ASP N N 43 122.750 120.744 2.006 1
1 523 . 4 1 1 A 44 44 ALA H H 44 8.807 8.478 0.329 1
1 524 . 4 1 1 A 44 44 ALA HA H 44 4.242 4.061 0.181 1
1 528 . 4 1 1 A 44 44 ALA C C 44 181.423 180.130 1.293 1
1 529 . 4 1 1 A 44 44 ALA CA C 44 55.260 55.218 0.042 1
1 530 . 4 1 1 A 44 44 ALA CB C 44 19.775 17.919 1.856 1
1 531 . 4 1 1 A 44 44 ALA N N 44 123.434 120.918 2.516 1
1 532 . 4 1 1 A 45 45 CYS H H 45 8.663 8.298 0.365 1
1 533 . 4 1 1 A 45 45 CYS HA H 45 4.039 4.133 -0.094 1
1 536 . 4 1 1 A 45 45 CYS C C 45 176.954 176.989 -0.035 1
1 537 . 4 1 1 A 45 45 CYS CA C 45 65.300 62.853 2.447 1
1 538 . 4 1 1 A 45 45 CYS CB C 45 26.940 26.138 0.802 1
1 539 . 4 1 1 A 45 45 CYS N N 45 115.424 116.213 -0.789 1
1 540 . 4 1 1 A 46 46 ALA H H 46 7.844 7.985 -0.141 1
1 541 . 4 1 1 A 46 46 ALA HA H 46 4.274 4.069 0.205 1
1 545 . 4 1 1 A 46 46 ALA C C 46 180.730 180.305 0.425 1
1 546 . 4 1 1 A 46 46 ALA CA C 46 55.127 55.276 -0.149 1
1 547 . 4 1 1 A 46 46 ALA CB C 46 18.020 18.228 -0.208 1
1 548 . 4 1 1 A 46 46 ALA N N 46 122.366 122.427 -0.061 1
1 549 . 4 1 1 A 47 47 VAL H H 47 7.503 7.841 -0.338 1
1 550 . 4 1 1 A 47 47 VAL HA H 47 3.690 3.617 0.073 1
1 558 . 4 1 1 A 47 47 VAL C C 47 177.652 177.855 -0.203 1
1 559 . 4 1 1 A 47 47 VAL CA C 47 65.530 66.638 -1.108 1
1 560 . 4 1 1 A 47 47 VAL CB C 47 32.140 31.642 0.498 1
1 563 . 4 1 1 A 47 47 VAL N N 47 116.850 119.157 -2.307 1
1 564 . 4 1 1 A 48 48 HIS H H 48 7.496 7.463 0.033 1
1 565 . 4 1 1 A 48 48 HIS HA H 48 4.629 4.540 0.089 1
1 569 . 4 1 1 A 48 48 HIS C C 48 174.865 175.525 -0.660 1
1 570 . 4 1 1 A 48 48 HIS CA C 48 56.985 57.683 -0.698 1
1 571 . 4 1 1 A 48 48 HIS CB C 48 31.033 30.608 0.425 1
1 573 . 4 1 1 A 48 48 HIS N N 48 114.271 119.414 -5.143 1
1 574 . 4 1 1 A 49 49 GLY H H 49 7.846 8.312 -0.466 1
1 575 . 4 1 1 A 49 49 GLY HA2 H 49 4.002 3.892 0.110 1
1 576 . 4 1 1 A 49 49 GLY HA3 H 49 4.002 3.902 0.100 1
1 577 . 4 1 1 A 49 49 GLY C C 49 174.536 174.840 -0.304 1
1 578 . 4 1 1 A 49 49 GLY CA C 49 47.189 45.698 1.491 1
1 579 . 4 1 1 A 49 49 GLY N N 49 110.669 106.822 3.847 1
1 580 . 4 1 1 A 50 50 ILE H H 50 8.126 8.362 -0.236 1
1 581 . 4 1 1 A 50 50 ILE HA H 50 4.295 4.187 0.108 1
1 591 . 4 1 1 A 50 50 ILE C C 50 175.038 175.369 -0.331 1
1 592 . 4 1 1 A 50 50 ILE CA C 50 59.759 60.972 -1.213 1
1 593 . 4 1 1 A 50 50 ILE CB C 50 41.222 38.577 2.645 1
1 597 . 4 1 1 A 50 50 ILE N N 50 119.905 122.262 -2.357 1
1 598 . 4 1 1 A 51 51 ASP H H 51 8.497 8.548 -0.051 1
1 599 . 4 1 1 A 51 51 ASP HA H 51 4.523 4.767 -0.244 1
1 602 . 4 1 1 A 51 51 ASP C C 51 175.978 176.925 -0.947 1
1 603 . 4 1 1 A 51 51 ASP CA C 51 54.100 52.855 1.245 1
1 604 . 4 1 1 A 51 51 ASP CB C 51 40.990 40.411 0.579 1
1 605 . 4 1 1 A 51 51 ASP N N 51 124.951 125.466 -0.515 1
1 606 . 4 1 1 A 52 52 ALA H H 52 8.791 8.928 -0.137 1
1 607 . 4 1 1 A 52 52 ALA HA H 52 4.329 4.070 0.259 1
1 611 . 4 1 1 A 52 52 ALA CA C 52 55.070 54.618 0.452 1
1 612 . 4 1 1 A 52 52 ALA CB C 52 19.480 18.498 0.982 1
1 613 . 4 1 1 A 52 52 ALA N N 52 131.766 128.800 2.966 1
1 614 . 4 1 1 A 53 53 ASP H H 53 8.082 8.044 0.038 1
1 615 . 4 1 1 A 53 53 ASP HA H 53 4.321 4.313 0.008 1
1 618 . 4 1 1 A 53 53 ASP CA C 53 57.500 57.308 0.192 1
1 619 . 4 1 1 A 53 53 ASP CB C 53 39.940 41.149 -1.209 1
1 620 . 4 1 1 A 53 53 ASP N N 53 116.960 118.693 -1.733 1
1 621 . 4 1 1 A 54 54 LYS H H 54 7.762 7.598 0.164 1
1 622 . 4 1 1 A 54 54 LYS HA H 54 3.958 4.031 -0.073 1
1 631 . 4 1 1 A 54 54 LYS C C 54 177.748 178.857 -1.109 1
1 632 . 4 1 1 A 54 54 LYS CA C 54 59.355 59.395 -0.040 1
1 633 . 4 1 1 A 54 54 LYS CB C 54 32.920 32.164 0.756 1
1 637 . 4 1 1 A 54 54 LYS N N 54 123.420 118.698 4.722 1
1 638 . 4 1 1 A 55 55 LEU H H 55 7.337 7.785 -0.448 1
1 639 . 4 1 1 A 55 55 LEU HA H 55 3.822 3.915 -0.093 1
1 649 . 4 1 1 A 55 55 LEU C C 55 177.966 178.527 -0.561 1
1 650 . 4 1 1 A 55 55 LEU CA C 55 58.258 58.359 -0.101 1
1 651 . 4 1 1 A 55 55 LEU CB C 55 41.908 41.893 0.015 1
1 655 . 4 1 1 A 55 55 LEU N N 55 119.522 121.636 -2.114 1
1 656 . 4 1 1 A 56 56 VAL H H 56 8.503 8.115 0.388 1
1 657 . 4 1 1 A 56 56 VAL HA H 56 3.378 3.494 -0.116 1
1 665 . 4 1 1 A 56 56 VAL C C 56 177.576 177.567 0.009 1
1 666 . 4 1 1 A 56 56 VAL CA C 56 67.460 66.908 0.552 1
1 667 . 4 1 1 A 56 56 VAL CB C 56 31.560 31.305 0.255 1
1 670 . 4 1 1 A 56 56 VAL N N 56 117.548 119.288 -1.740 1
1 671 . 4 1 1 A 57 57 LYS H H 57 8.003 7.613 0.390 1
1 672 . 4 1 1 A 57 57 LYS HA H 57 4.200 3.949 0.251 1
1 681 . 4 1 1 A 57 57 LYS C C 57 179.196 179.463 -0.267 1
1 682 . 4 1 1 A 57 57 LYS CA C 57 60.130 60.071 0.059 1
1 683 . 4 1 1 A 57 57 LYS CB C 57 32.383 31.994 0.389 1
1 687 . 4 1 1 A 57 57 LYS N N 57 122.289 118.658 3.631 1
1 688 . 4 1 1 A 58 58 GLU H H 58 8.035 8.189 -0.154 1
1 689 . 4 1 1 A 58 58 GLU HA H 58 4.010 4.019 -0.009 1
1 694 . 4 1 1 A 58 58 GLU CA C 58 59.975 58.920 1.055 1
1 695 . 4 1 1 A 58 58 GLU CB C 58 29.430 29.424 0.006 1
1 697 . 4 1 1 A 58 58 GLU N N 58 119.482 120.528 -1.046 1
1 698 . 4 1 1 A 59 59 LEU H H 59 8.560 8.198 0.362 1
1 699 . 4 1 1 A 59 59 LEU HA H 59 3.998 3.799 0.199 1
1 709 . 4 1 1 A 59 59 LEU C C 59 178.239 179.092 -0.853 1
1 710 . 4 1 1 A 59 59 LEU CA C 59 58.200 57.742 0.458 1
1 711 . 4 1 1 A 59 59 LEU CB C 59 42.695 41.668 1.027 1
1 715 . 4 1 1 A 59 59 LEU N N 59 121.725 120.500 1.225 1
1 716 . 4 1 1 A 60 60 ASN H H 60 8.684 8.629 0.055 1
1 717 . 4 1 1 A 60 60 ASN HA H 60 4.806 4.652 0.154 1
1 722 . 4 1 1 A 60 60 ASN C C 60 178.495 178.219 0.276 1
1 723 . 4 1 1 A 60 60 ASN CA C 60 57.895 56.624 1.271 1
1 724 . 4 1 1 A 60 60 ASN CB C 60 38.528 38.129 0.399 1
1 725 . 4 1 1 A 60 60 ASN N N 60 117.410 117.525 -0.115 1
1 727 . 4 1 1 A 61 61 GLU H H 61 8.602 8.394 0.208 1
1 728 . 4 1 1 A 61 61 GLU HA H 61 4.040 4.085 -0.045 1
1 733 . 4 1 1 A 61 61 GLU C C 61 178.325 178.719 -0.394 1
1 734 . 4 1 1 A 61 61 GLU CA C 61 59.814 59.479 0.335 1
1 735 . 4 1 1 A 61 61 GLU CB C 61 29.610 29.502 0.108 1
1 737 . 4 1 1 A 61 61 GLU N N 61 121.480 119.464 2.016 1
1 738 . 4 1 1 A 62 62 TYR H H 62 7.698 7.929 -0.231 1
1 739 . 4 1 1 A 62 62 TYR HA H 62 3.978 4.236 -0.258 1
1 746 . 4 1 1 A 62 62 TYR C C 62 177.947 177.504 0.443 1
1 747 . 4 1 1 A 62 62 TYR CA C 62 61.600 61.234 0.366 1
1 748 . 4 1 1 A 62 62 TYR CB C 62 37.513 37.518 -0.005 1
1 753 . 4 1 1 A 62 62 TYR N N 62 120.683 121.149 -0.466 1
1 754 . 4 1 1 A 63 63 PHE H H 63 7.982 8.031 -0.049 1
1 755 . 4 1 1 A 63 63 PHE HA H 63 3.932 4.032 -0.100 1
1 763 . 4 1 1 A 63 63 PHE CA C 63 63.262 62.414 0.848 1
1 764 . 4 1 1 A 63 63 PHE CB C 63 39.120 38.544 0.576 1
1 770 . 4 1 1 A 63 63 PHE N N 63 117.730 118.512 -0.782 1
1 771 . 4 1 1 A 64 64 GLU H H 64 8.554 8.289 0.265 1
1 772 . 4 1 1 A 64 64 GLU HA H 64 4.095 3.965 0.130 1
1 777 . 4 1 1 A 64 64 GLU C C 64 178.921 179.306 -0.385 1
1 778 . 4 1 1 A 64 64 GLU CA C 64 59.322 60.012 -0.690 1
1 779 . 4 1 1 A 64 64 GLU CB C 64 29.670 29.126 0.544 1
1 781 . 4 1 1 A 64 64 GLU N N 64 121.392 120.020 1.372 1
1 782 . 4 1 1 A 65 65 LYS H H 65 7.850 7.802 0.048 1
1 783 . 4 1 1 A 65 65 LYS HA H 65 3.982 4.072 -0.090 1
1 792 . 4 1 1 A 65 65 LYS C C 65 178.374 179.578 -1.204 1
1 793 . 4 1 1 A 65 65 LYS CA C 65 58.638 59.617 -0.979 1
1 794 . 4 1 1 A 65 65 LYS CB C 65 32.110 32.289 -0.179 1
1 798 . 4 1 1 A 65 65 LYS N N 65 118.746 119.804 -1.058 1
1 799 . 4 1 1 A 66 66 LYS H H 66 7.503 7.585 -0.082 1
1 800 . 4 1 1 A 66 66 LYS HA H 66 3.880 3.841 0.039 1
1 809 . 4 1 1 A 66 66 LYS C C 66 177.925 179.860 -1.935 1
1 810 . 4 1 1 A 66 66 LYS CA C 66 58.590 60.017 -1.427 1
1 811 . 4 1 1 A 66 66 LYS CB C 66 32.560 32.160 0.400 1
1 815 . 4 1 1 A 66 66 LYS N N 66 119.241 119.895 -0.654 1
1 816 . 4 1 1 A 67 67 GLU H H 67 7.876 8.030 -0.154 1
1 817 . 4 1 1 A 67 67 GLU HA H 67 4.097 4.017 0.080 1
1 822 . 4 1 1 A 67 67 GLU C C 67 178.016 179.068 -1.052 1
1 823 . 4 1 1 A 67 67 GLU CA C 67 58.280 58.982 -0.702 1
1 824 . 4 1 1 A 67 67 GLU CB C 67 29.802 29.191 0.611 1
1 826 . 4 1 1 A 67 67 GLU N N 67 119.096 120.089 -0.993 1
1 827 . 4 1 1 A 68 68 VAL H H 68 7.719 7.500 0.219 1
1 828 . 4 1 1 A 68 68 VAL HA H 68 3.797 3.601 0.196 1
1 836 . 4 1 1 A 68 68 VAL C C 68 177.668 178.043 -0.375 1
1 837 . 4 1 1 A 68 68 VAL CA C 68 64.600 66.148 -1.548 1
1 838 . 4 1 1 A 68 68 VAL CB C 68 32.050 31.702 0.348 1
1 841 . 4 1 1 A 68 68 VAL N N 68 119.409 121.148 -1.739 1
1 842 . 4 1 1 A 69 69 LEU H H 69 7.911 8.173 -0.262 1
1 843 . 4 1 1 A 69 69 LEU HA H 69 4.127 3.880 0.247 1
1 853 . 4 1 1 A 69 69 LEU C C 69 178.438 178.732 -0.294 1
1 854 . 4 1 1 A 69 69 LEU CA C 69 56.461 58.173 -1.712 1
1 855 . 4 1 1 A 69 69 LEU CB C 69 42.153 41.576 0.577 1
1 859 . 4 1 1 A 69 69 LEU N N 69 122.199 118.409 3.790 1
1 14 . 5 1 1 A 2 2 LYS H H 2 8.383 8.763 -0.380 1
1 15 . 5 1 1 A 2 2 LYS HA H 2 4.314 4.847 -0.533 1
1 24 . 5 1 1 A 2 2 LYS C C 2 175.001 175.081 -0.080 1
1 25 . 5 1 1 A 2 2 LYS CA C 2 56.188 54.735 1.453 1
1 26 . 5 1 1 A 2 2 LYS CB C 2 33.481 35.641 -2.160 1
1 30 . 5 1 1 A 2 2 LYS N N 2 124.593 125.887 -1.294 1
1 31 . 5 1 1 A 3 3 ILE H H 3 9.639 8.523 1.116 1
1 32 . 5 1 1 A 3 3 ILE HA H 3 4.510 4.774 -0.264 1
1 42 . 5 1 1 A 3 3 ILE C C 3 176.337 175.830 0.507 1
1 43 . 5 1 1 A 3 3 ILE CA C 3 58.009 60.407 -2.398 1
1 44 . 5 1 1 A 3 3 ILE CB C 3 36.405 38.807 -2.402 1
1 48 . 5 1 1 A 3 3 ILE N N 3 124.160 122.872 1.288 1
1 49 . 5 1 1 A 4 4 THR H H 4 7.637 8.239 -0.602 1
1 50 . 5 1 1 A 4 4 THR HA H 4 4.795 4.881 -0.086 1
1 55 . 5 1 1 A 4 4 THR C C 4 175.818 174.793 1.025 1
1 56 . 5 1 1 A 4 4 THR CA C 4 59.550 59.299 0.251 1
1 57 . 5 1 1 A 4 4 THR CB C 4 71.365 71.653 -0.288 1
1 59 . 5 1 1 A 4 4 THR N N 4 115.631 115.778 -0.147 1
1 60 . 5 1 1 A 5 5 LYS H H 5 9.100 8.927 0.173 1
1 61 . 5 1 1 A 5 5 LYS HA H 5 3.910 4.150 -0.240 1
1 70 . 5 1 1 A 5 5 LYS C C 5 173.504 178.709 -5.205 1
1 71 . 5 1 1 A 5 5 LYS CA C 5 58.730 58.447 0.283 1
1 72 . 5 1 1 A 5 5 LYS CB C 5 32.584 31.913 0.671 1
1 76 . 5 1 1 A 5 5 LYS N N 5 117.257 119.010 -1.753 1
1 77 . 5 1 1 A 6 6 ASP H H 6 8.542 7.692 0.850 1
1 78 . 5 1 1 A 6 6 ASP HA H 6 4.577 4.554 0.023 1
1 81 . 5 1 1 A 6 6 ASP C C 6 176.227 176.491 -0.264 1
1 82 . 5 1 1 A 6 6 ASP CA C 6 53.772 56.180 -2.408 1
1 83 . 5 1 1 A 6 6 ASP CB C 6 40.478 40.957 -0.479 1
1 84 . 5 1 1 A 6 6 ASP N N 6 115.528 119.605 -4.077 1
1 85 . 5 1 1 A 7 7 MET H H 7 7.545 7.454 0.091 1
1 86 . 5 1 1 A 7 7 MET HA H 7 4.037 4.597 -0.560 1
1 94 . 5 1 1 A 7 7 MET C C 7 174.214 175.870 -1.656 1
1 95 . 5 1 1 A 7 7 MET CA C 7 57.578 55.478 2.100 1
1 96 . 5 1 1 A 7 7 MET CB C 7 33.295 33.676 -0.381 1
1 99 . 5 1 1 A 7 7 MET N N 7 119.925 118.732 1.193 1
1 100 . 5 1 1 A 8 8 ILE H H 8 8.721 8.694 0.027 1
1 101 . 5 1 1 A 8 8 ILE HA H 8 4.110 4.214 -0.104 1
1 111 . 5 1 1 A 8 8 ILE C C 8 178.731 176.095 2.636 1
1 112 . 5 1 1 A 8 8 ILE CA C 8 59.060 61.287 -2.227 1
1 113 . 5 1 1 A 8 8 ILE CB C 8 36.472 37.557 -1.085 1
1 117 . 5 1 1 A 8 8 ILE N N 8 121.085 122.407 -1.322 1
1 118 . 5 1 1 A 9 9 ILE H H 9 8.522 8.683 -0.161 1
1 119 . 5 1 1 A 9 9 ILE HA H 9 3.238 3.576 -0.338 1
1 129 . 5 1 1 A 9 9 ILE C C 9 178.227 177.418 0.809 1
1 130 . 5 1 1 A 9 9 ILE CA C 9 67.720 64.871 2.849 1
1 131 . 5 1 1 A 9 9 ILE CB C 9 37.078 37.043 0.035 1
1 135 . 5 1 1 A 9 9 ILE N N 9 128.907 125.090 3.817 1
1 136 . 5 1 1 A 10 10 ALA H H 10 8.578 8.524 0.054 1
1 137 . 5 1 1 A 10 10 ALA HA H 10 3.837 3.949 -0.112 1
1 141 . 5 1 1 A 10 10 ALA C C 10 179.790 179.205 0.585 1
1 142 . 5 1 1 A 10 10 ALA CA C 10 55.447 55.165 0.282 1
1 143 . 5 1 1 A 10 10 ALA CB C 10 19.000 17.948 1.052 1
1 144 . 5 1 1 A 10 10 ALA N N 10 118.416 121.923 -3.507 1
1 145 . 5 1 1 A 11 11 ASP H H 11 7.100 8.129 -1.029 1
1 146 . 5 1 1 A 11 11 ASP HA H 11 4.380 4.365 0.015 1
1 149 . 5 1 1 A 11 11 ASP C C 11 178.903 178.649 0.254 1
1 150 . 5 1 1 A 11 11 ASP CA C 11 56.979 57.419 -0.440 1
1 151 . 5 1 1 A 11 11 ASP CB C 11 39.520 41.078 -1.558 1
1 152 . 5 1 1 A 11 11 ASP N N 11 116.224 119.066 -2.842 1
1 153 . 5 1 1 A 12 12 VAL H H 12 7.723 8.133 -0.410 1
1 154 . 5 1 1 A 12 12 VAL HA H 12 3.862 3.737 0.125 1
1 162 . 5 1 1 A 12 12 VAL C C 12 177.664 178.302 -0.638 1
1 163 . 5 1 1 A 12 12 VAL CA C 12 66.656 66.704 -0.048 1
1 164 . 5 1 1 A 12 12 VAL CB C 12 31.980 31.470 0.510 1
1 167 . 5 1 1 A 12 12 VAL N N 12 123.054 119.987 3.067 1
1 168 . 5 1 1 A 13 13 LEU H H 13 7.995 8.184 -0.189 1
1 169 . 5 1 1 A 13 13 LEU HA H 13 3.945 4.089 -0.144 1
1 179 . 5 1 1 A 13 13 LEU C C 13 175.458 179.583 -4.125 1
1 180 . 5 1 1 A 13 13 LEU CA C 13 57.259 57.754 -0.495 1
1 181 . 5 1 1 A 13 13 LEU CB C 13 42.140 40.873 1.267 1
1 185 . 5 1 1 A 13 13 LEU N N 13 118.291 120.352 -2.061 1
1 186 . 5 1 1 A 14 14 GLN H H 14 7.580 7.848 -0.268 1
1 187 . 5 1 1 A 14 14 GLN HA H 14 3.988 4.274 -0.286 1
1 194 . 5 1 1 A 14 14 GLN C C 14 178.311 178.986 -0.675 1
1 195 . 5 1 1 A 14 14 GLN CA C 14 57.659 58.630 -0.971 1
1 196 . 5 1 1 A 14 14 GLN CB C 14 28.700 28.077 0.623 1
1 198 . 5 1 1 A 14 14 GLN N N 14 114.621 117.867 -3.246 1
1 200 . 5 1 1 A 15 15 MET H H 15 7.675 7.690 -0.015 1
1 201 . 5 1 1 A 15 15 MET HA H 15 4.069 4.496 -0.427 1
1 209 . 5 1 1 A 15 15 MET C C 15 177.780 176.599 1.181 1
1 210 . 5 1 1 A 15 15 MET CA C 15 59.420 58.671 0.749 1
1 211 . 5 1 1 A 15 15 MET CB C 15 33.423 33.894 -0.471 1
1 214 . 5 1 1 A 15 15 MET N N 15 119.587 118.032 1.555 1
1 215 . 5 1 1 A 16 16 ASP H H 16 7.520 7.946 -0.426 1
1 216 . 5 1 1 A 16 16 ASP HA H 16 4.613 4.979 -0.366 1
1 219 . 5 1 1 A 16 16 ASP C C 16 175.706 175.818 -0.112 1
1 220 . 5 1 1 A 16 16 ASP CA C 16 55.090 53.760 1.330 1
1 221 . 5 1 1 A 16 16 ASP CB C 16 43.460 43.205 0.255 1
1 222 . 5 1 1 A 16 16 ASP N N 16 113.838 116.647 -2.809 1
1 223 . 5 1 1 A 17 17 ARG H H 17 9.352 8.896 0.456 1
1 224 . 5 1 1 A 17 17 ARG HA H 17 4.253 4.151 0.102 1
1 231 . 5 1 1 A 17 17 ARG C C 17 178.889 177.889 1.000 1
1 232 . 5 1 1 A 17 17 ARG CA C 17 58.566 59.084 -0.518 1
1 233 . 5 1 1 A 17 17 ARG CB C 17 29.280 29.887 -0.607 1
1 236 . 5 1 1 A 17 17 ARG N N 17 131.098 125.522 5.576 1
1 237 . 5 1 1 A 18 18 GLY H H 18 9.534 8.226 1.308 1
1 238 . 5 1 1 A 18 18 GLY HA2 H 18 3.857 3.834 0.023 1
1 239 . 5 1 1 A 18 18 GLY HA3 H 18 3.946 3.904 0.042 1
1 240 . 5 1 1 A 18 18 GLY C C 18 173.747 175.448 -1.701 1
1 241 . 5 1 1 A 18 18 GLY CA C 18 45.820 46.104 -0.284 1
1 242 . 5 1 1 A 18 18 GLY N N 18 111.218 108.163 3.055 1
1 243 . 5 1 1 A 19 19 THR H H 19 7.486 7.729 -0.243 1
1 244 . 5 1 1 A 19 19 THR HA H 19 3.293 3.646 -0.353 1
1 249 . 5 1 1 A 19 19 THR C C 19 177.067 176.737 0.330 1
1 250 . 5 1 1 A 19 19 THR CA C 19 63.090 64.215 -1.125 1
1 251 . 5 1 1 A 19 19 THR CB C 19 69.960 68.293 1.667 1
1 253 . 5 1 1 A 19 19 THR N N 19 106.889 112.480 -5.591 1
1 254 . 5 1 1 A 20 20 ALA H H 20 7.648 8.230 -0.582 1
1 255 . 5 1 1 A 20 20 ALA HA H 20 4.246 4.334 -0.088 1
1 259 . 5 1 1 A 20 20 ALA CA C 20 57.780 57.125 0.655 1
1 260 . 5 1 1 A 20 20 ALA CB C 20 15.960 17.029 -1.069 1
1 261 . 5 1 1 A 20 20 ALA N N 20 125.258 124.808 0.450 1
1 262 . 5 1 1 A 21 21 PRO HA H 21 4.169 4.327 -0.158 1
1 269 . 5 1 1 A 21 21 PRO C C 21 177.812 178.847 -1.035 1
1 270 . 5 1 1 A 21 21 PRO CA C 21 65.630 65.384 0.246 1
1 271 . 5 1 1 A 21 21 PRO CB C 21 31.220 31.002 0.218 1
1 274 . 5 1 1 A 22 22 ILE H H 22 7.120 6.949 0.171 1
1 275 . 5 1 1 A 22 22 ILE HA H 22 3.622 3.744 -0.122 1
1 285 . 5 1 1 A 22 22 ILE C C 22 179.561 177.939 1.622 1
1 286 . 5 1 1 A 22 22 ILE CA C 22 64.640 63.897 0.743 1
1 287 . 5 1 1 A 22 22 ILE CB C 22 37.200 37.082 0.118 1
1 291 . 5 1 1 A 22 22 ILE N N 22 117.089 117.027 0.062 1
1 292 . 5 1 1 A 23 23 PHE H H 23 7.411 7.755 -0.344 1
1 293 . 5 1 1 A 23 23 PHE HA H 23 3.919 4.260 -0.341 1
1 301 . 5 1 1 A 23 23 PHE C C 23 178.486 178.206 0.280 1
1 302 . 5 1 1 A 23 23 PHE CA C 23 63.450 60.700 2.750 1
1 303 . 5 1 1 A 23 23 PHE CB C 23 38.740 38.779 -0.039 1
1 309 . 5 1 1 A 23 23 PHE N N 23 118.753 119.028 -0.275 1
1 310 . 5 1 1 A 24 24 ILE H H 24 8.077 8.577 -0.500 1
1 311 . 5 1 1 A 24 24 ILE HA H 24 3.503 3.671 -0.168 1
1 321 . 5 1 1 A 24 24 ILE C C 24 180.431 177.790 2.641 1
1 322 . 5 1 1 A 24 24 ILE CA C 24 64.997 65.596 -0.599 1
1 323 . 5 1 1 A 24 24 ILE CB C 24 38.110 37.759 0.351 1
1 327 . 5 1 1 A 24 24 ILE N N 24 120.410 119.809 0.601 1
1 328 . 5 1 1 A 25 25 ASN H H 25 8.971 8.477 0.494 1
1 329 . 5 1 1 A 25 25 ASN HA H 25 4.453 4.363 0.090 1
1 334 . 5 1 1 A 25 25 ASN C C 25 176.784 177.259 -0.475 1
1 335 . 5 1 1 A 25 25 ASN CA C 25 55.321 56.984 -1.663 1
1 336 . 5 1 1 A 25 25 ASN CB C 25 37.880 39.620 -1.740 1
1 337 . 5 1 1 A 25 25 ASN N N 25 120.191 119.833 0.358 1
1 339 . 5 1 1 A 26 26 ASN H H 26 7.315 7.878 -0.563 1
1 340 . 5 1 1 A 26 26 ASN HA H 26 4.601 4.750 -0.149 1
1 345 . 5 1 1 A 26 26 ASN C C 26 173.732 175.538 -1.806 1
1 346 . 5 1 1 A 26 26 ASN CA C 26 54.840 53.307 1.533 1
1 347 . 5 1 1 A 26 26 ASN CB C 26 40.890 38.885 2.005 1
1 348 . 5 1 1 A 26 26 ASN N N 26 116.500 114.601 1.899 1
1 350 . 5 1 1 A 27 27 GLY H H 27 7.880 7.955 -0.075 1
1 351 . 5 1 1 A 27 27 GLY HA2 H 27 4.305 3.929 0.376 1
1 352 . 5 1 1 A 27 27 GLY HA3 H 27 3.570 3.974 -0.404 1
1 353 . 5 1 1 A 27 27 GLY CA C 27 45.308 44.931 0.377 1
1 354 . 5 1 1 A 27 27 GLY N N 27 104.918 106.482 -1.564 1
1 355 . 5 1 1 A 28 28 MET H H 28 7.948 7.744 0.204 1
1 356 . 5 1 1 A 28 28 MET HA H 28 4.190 4.471 -0.281 1
1 364 . 5 1 1 A 28 28 MET C C 28 174.147 175.189 -1.042 1
1 365 . 5 1 1 A 28 28 MET CA C 28 54.335 55.894 -1.559 1
1 366 . 5 1 1 A 28 28 MET CB C 28 31.978 33.635 -1.657 1
1 369 . 5 1 1 A 28 28 MET N N 28 120.940 120.983 -0.043 1
1 370 . 5 1 1 A 29 29 HIS H H 29 7.994 8.010 -0.016 1
1 371 . 5 1 1 A 29 29 HIS HA H 29 4.592 5.409 -0.817 1
1 375 . 5 1 1 A 29 29 HIS C C 29 177.664 173.051 4.613 1
1 376 . 5 1 1 A 29 29 HIS CA C 29 56.178 54.022 2.156 1
1 377 . 5 1 1 A 29 29 HIS CB C 29 30.190 33.259 -3.069 1
1 378 . 5 1 1 A 29 29 HIS N N 29 121.779 115.794 5.985 1
1 379 . 5 1 1 A 30 30 CYS H H 30 7.867 8.687 -0.820 1
1 380 . 5 1 1 A 30 30 CYS HA H 30 4.555 4.986 -0.431 1
1 383 . 5 1 1 A 30 30 CYS C C 30 174.265 172.899 1.366 1
1 384 . 5 1 1 A 30 30 CYS CA C 30 57.398 58.391 -0.993 1
1 385 . 5 1 1 A 30 30 CYS CB C 30 28.234 31.117 -2.883 1
1 386 . 5 1 1 A 30 30 CYS N N 30 116.200 117.549 -1.349 1
1 387 . 5 1 1 A 31 31 LEU H H 31 7.845 8.607 -0.762 1
1 388 . 5 1 1 A 31 31 LEU HA H 31 4.045 4.579 -0.534 1
1 398 . 5 1 1 A 31 31 LEU C C 31 177.285 176.817 0.468 1
1 399 . 5 1 1 A 31 31 LEU CA C 31 56.415 53.873 2.542 1
1 400 . 5 1 1 A 31 31 LEU CB C 31 41.172 42.595 -1.423 1
1 404 . 5 1 1 A 31 31 LEU N N 31 122.518 129.582 -7.064 1
1 405 . 5 1 1 A 32 32 GLY H H 32 8.292 7.850 0.442 1
1 406 . 5 1 1 A 32 32 GLY HA2 H 32 3.852 3.907 -0.055 1
1 407 . 5 1 1 A 32 32 GLY HA3 H 32 3.852 3.913 -0.061 1
1 408 . 5 1 1 A 32 32 GLY C C 32 173.868 174.259 -0.391 1
1 409 . 5 1 1 A 32 32 GLY CA C 32 45.182 46.445 -1.263 1
1 410 . 5 1 1 A 32 32 GLY N N 32 108.193 107.876 0.317 1
1 411 . 5 1 1 A 33 33 CYS H H 33 7.747 7.836 -0.089 1
1 412 . 5 1 1 A 33 33 CYS HA H 33 4.826 4.747 0.079 1
1 415 . 5 1 1 A 33 33 CYS CA C 33 56.005 56.677 -0.672 1
1 416 . 5 1 1 A 33 33 CYS CB C 33 27.330 28.904 -1.574 1
1 417 . 5 1 1 A 33 33 CYS N N 33 120.574 118.238 2.336 1
1 418 . 5 1 1 A 34 34 PRO HA H 34 4.179 4.432 -0.253 1
1 425 . 5 1 1 A 34 34 PRO C C 34 178.582 177.269 1.313 1
1 426 . 5 1 1 A 34 34 PRO CA C 34 65.610 65.799 -0.189 1
1 427 . 5 1 1 A 34 34 PRO CB C 34 32.071 31.611 0.460 1
1 430 . 5 1 1 A 35 35 SER H H 35 8.315 8.196 0.119 1
1 431 . 5 1 1 A 35 35 SER HA H 35 4.209 4.865 -0.656 1
1 434 . 5 1 1 A 35 35 SER C C 35 177.910 174.604 3.306 1
1 435 . 5 1 1 A 35 35 SER CA C 35 60.704 58.092 2.612 1
1 436 . 5 1 1 A 35 35 SER CB C 35 62.590 61.499 1.091 1
1 437 . 5 1 1 A 35 35 SER N N 35 112.899 112.662 0.237 1
1 438 . 5 1 1 A 36 36 SER H H 36 7.903 8.359 -0.456 1
1 439 . 5 1 1 A 36 36 SER HA H 36 4.432 4.377 0.055 1
1 442 . 5 1 1 A 36 36 SER C C 36 175.084 175.010 0.074 1
1 443 . 5 1 1 A 36 36 SER CA C 36 60.336 58.658 1.678 1
1 444 . 5 1 1 A 36 36 SER CB C 36 63.920 65.455 -1.535 1
1 445 . 5 1 1 A 36 36 SER N N 36 117.747 118.976 -1.229 1
1 446 . 5 1 1 A 37 37 MET H H 37 7.646 8.386 -0.740 1
1 447 . 5 1 1 A 37 37 MET HA H 37 4.114 4.354 -0.240 1
1 455 . 5 1 1 A 37 37 MET C C 37 175.617 178.295 -2.678 1
1 456 . 5 1 1 A 37 37 MET CA C 37 56.922 57.013 -0.091 1
1 457 . 5 1 1 A 37 37 MET CB C 37 32.891 33.470 -0.579 1
1 460 . 5 1 1 A 37 37 MET N N 37 117.790 119.900 -2.110 1
1 461 . 5 1 1 A 38 38 GLY H H 38 7.742 7.543 0.199 1
1 462 . 5 1 1 A 38 38 GLY HA2 H 38 4.156 3.955 0.201 1
1 463 . 5 1 1 A 38 38 GLY HA3 H 38 3.623 3.964 -0.341 1
1 464 . 5 1 1 A 38 38 GLY C C 38 174.147 174.090 0.057 1
1 465 . 5 1 1 A 38 38 GLY CA C 38 45.260 45.588 -0.328 1
1 466 . 5 1 1 A 38 38 GLY N N 38 104.897 106.575 -1.678 1
1 467 . 5 1 1 A 39 39 GLU H H 39 7.288 7.531 -0.243 1
1 468 . 5 1 1 A 39 39 GLU HA H 39 4.539 4.716 -0.177 1
1 473 . 5 1 1 A 39 39 GLU C C 39 173.845 176.267 -2.422 1
1 474 . 5 1 1 A 39 39 GLU CA C 39 54.885 54.517 0.368 1
1 475 . 5 1 1 A 39 39 GLU CB C 39 31.980 31.200 0.780 1
1 477 . 5 1 1 A 39 39 GLU N N 39 119.469 120.365 -0.896 1
1 478 . 5 1 1 A 40 40 SER H H 40 9.174 8.755 0.419 1
1 479 . 5 1 1 A 40 40 SER HA H 40 4.847 5.015 -0.168 1
1 482 . 5 1 1 A 40 40 SER C C 40 175.082 175.845 -0.763 1
1 483 . 5 1 1 A 40 40 SER CA C 40 56.757 58.667 -1.910 1
1 484 . 5 1 1 A 40 40 SER CB C 40 65.397 63.853 1.544 1
1 485 . 5 1 1 A 40 40 SER N N 40 115.819 117.783 -1.964 1
1 486 . 5 1 1 A 41 41 ILE H H 41 8.739 8.744 -0.005 1
1 487 . 5 1 1 A 41 41 ILE HA H 41 3.512 3.758 -0.246 1
1 497 . 5 1 1 A 41 41 ILE C C 41 178.832 177.703 1.129 1
1 498 . 5 1 1 A 41 41 ILE CA C 41 67.190 65.767 1.423 1
1 499 . 5 1 1 A 41 41 ILE CB C 41 38.460 38.011 0.449 1
1 503 . 5 1 1 A 41 41 ILE N N 41 121.236 124.535 -3.299 1
1 504 . 5 1 1 A 42 42 GLU H H 42 8.932 8.527 0.405 1
1 505 . 5 1 1 A 42 42 GLU HA H 42 3.826 4.032 -0.206 1
1 510 . 5 1 1 A 42 42 GLU C C 42 178.134 178.581 -0.447 1
1 511 . 5 1 1 A 42 42 GLU CA C 42 59.860 59.191 0.669 1
1 512 . 5 1 1 A 42 42 GLU CB C 42 29.286 29.021 0.265 1
1 514 . 5 1 1 A 42 42 GLU N N 42 117.512 120.010 -2.498 1
1 515 . 5 1 1 A 43 43 ASP H H 43 8.090 8.266 -0.176 1
1 516 . 5 1 1 A 43 43 ASP HA H 43 4.428 4.367 0.061 1
1 519 . 5 1 1 A 43 43 ASP C C 43 179.021 178.127 0.894 1
1 520 . 5 1 1 A 43 43 ASP CA C 43 57.460 57.692 -0.232 1
1 521 . 5 1 1 A 43 43 ASP CB C 43 39.485 41.356 -1.871 1
1 522 . 5 1 1 A 43 43 ASP N N 43 122.750 120.799 1.951 1
1 523 . 5 1 1 A 44 44 ALA H H 44 8.807 8.418 0.389 1
1 524 . 5 1 1 A 44 44 ALA HA H 44 4.242 4.066 0.176 1
1 528 . 5 1 1 A 44 44 ALA C C 44 181.423 179.799 1.624 1
1 529 . 5 1 1 A 44 44 ALA CA C 44 55.260 54.987 0.273 1
1 530 . 5 1 1 A 44 44 ALA CB C 44 19.775 18.357 1.418 1
1 531 . 5 1 1 A 44 44 ALA N N 44 123.434 121.054 2.380 1
1 532 . 5 1 1 A 45 45 CYS H H 45 8.663 8.314 0.349 1
1 533 . 5 1 1 A 45 45 CYS HA H 45 4.039 4.154 -0.115 1
1 536 . 5 1 1 A 45 45 CYS C C 45 176.954 176.954 0.000 1
1 537 . 5 1 1 A 45 45 CYS CA C 45 65.300 62.776 2.524 1
1 538 . 5 1 1 A 45 45 CYS CB C 45 26.940 26.244 0.696 1
1 539 . 5 1 1 A 45 45 CYS N N 45 115.424 116.550 -1.126 1
1 540 . 5 1 1 A 46 46 ALA H H 46 7.844 7.926 -0.082 1
1 541 . 5 1 1 A 46 46 ALA HA H 46 4.274 4.060 0.214 1
1 545 . 5 1 1 A 46 46 ALA C C 46 180.730 180.397 0.333 1
1 546 . 5 1 1 A 46 46 ALA CA C 46 55.127 55.105 0.022 1
1 547 . 5 1 1 A 46 46 ALA CB C 46 18.020 18.305 -0.285 1
1 548 . 5 1 1 A 46 46 ALA N N 46 122.366 122.524 -0.158 1
1 549 . 5 1 1 A 47 47 VAL H H 47 7.503 7.845 -0.342 1
1 550 . 5 1 1 A 47 47 VAL HA H 47 3.690 3.618 0.072 1
1 558 . 5 1 1 A 47 47 VAL C C 47 177.652 177.803 -0.151 1
1 559 . 5 1 1 A 47 47 VAL CA C 47 65.530 66.654 -1.124 1
1 560 . 5 1 1 A 47 47 VAL CB C 47 32.140 31.805 0.335 1
1 563 . 5 1 1 A 47 47 VAL N N 47 116.850 119.233 -2.383 1
1 564 . 5 1 1 A 48 48 HIS H H 48 7.496 7.919 -0.423 1
1 565 . 5 1 1 A 48 48 HIS HA H 48 4.629 4.570 0.059 1
1 569 . 5 1 1 A 48 48 HIS C C 48 174.865 175.521 -0.656 1
1 570 . 5 1 1 A 48 48 HIS CA C 48 56.985 57.779 -0.794 1
1 571 . 5 1 1 A 48 48 HIS CB C 48 31.033 30.401 0.632 1
1 573 . 5 1 1 A 48 48 HIS N N 48 114.271 119.481 -5.210 1
1 574 . 5 1 1 A 49 49 GLY H H 49 7.846 8.129 -0.283 1
1 575 . 5 1 1 A 49 49 GLY HA2 H 49 4.002 3.843 0.159 1
1 576 . 5 1 1 A 49 49 GLY HA3 H 49 4.002 3.872 0.130 1
1 577 . 5 1 1 A 49 49 GLY C C 49 174.536 174.844 -0.308 1
1 578 . 5 1 1 A 49 49 GLY CA C 49 47.189 45.717 1.472 1
1 579 . 5 1 1 A 49 49 GLY N N 49 110.669 107.030 3.639 1
1 580 . 5 1 1 A 50 50 ILE H H 50 8.126 8.311 -0.185 1
1 581 . 5 1 1 A 50 50 ILE HA H 50 4.295 4.104 0.191 1
1 591 . 5 1 1 A 50 50 ILE C C 50 175.038 175.477 -0.439 1
1 592 . 5 1 1 A 50 50 ILE CA C 50 59.759 60.955 -1.196 1
1 593 . 5 1 1 A 50 50 ILE CB C 50 41.222 38.405 2.817 1
1 597 . 5 1 1 A 50 50 ILE N N 50 119.905 122.034 -2.129 1
1 598 . 5 1 1 A 51 51 ASP H H 51 8.497 8.625 -0.128 1
1 599 . 5 1 1 A 51 51 ASP HA H 51 4.523 4.721 -0.198 1
1 602 . 5 1 1 A 51 51 ASP C C 51 175.978 176.750 -0.772 1
1 603 . 5 1 1 A 51 51 ASP CA C 51 54.100 53.045 1.055 1
1 604 . 5 1 1 A 51 51 ASP CB C 51 40.990 40.458 0.532 1
1 605 . 5 1 1 A 51 51 ASP N N 51 124.951 126.949 -1.998 1
1 606 . 5 1 1 A 52 52 ALA H H 52 8.791 8.412 0.379 1
1 607 . 5 1 1 A 52 52 ALA HA H 52 4.329 4.037 0.292 1
1 611 . 5 1 1 A 52 52 ALA CA C 52 55.070 54.928 0.142 1
1 612 . 5 1 1 A 52 52 ALA CB C 52 19.480 18.518 0.962 1
1 613 . 5 1 1 A 52 52 ALA N N 52 131.766 128.536 3.230 1
1 614 . 5 1 1 A 53 53 ASP H H 53 8.082 8.123 -0.041 1
1 615 . 5 1 1 A 53 53 ASP HA H 53 4.321 4.306 0.015 1
1 618 . 5 1 1 A 53 53 ASP CA C 53 57.500 57.944 -0.444 1
1 619 . 5 1 1 A 53 53 ASP CB C 53 39.940 41.848 -1.908 1
1 620 . 5 1 1 A 53 53 ASP N N 53 116.960 118.231 -1.271 1
1 621 . 5 1 1 A 54 54 LYS H H 54 7.762 7.771 -0.009 1
1 622 . 5 1 1 A 54 54 LYS HA H 54 3.958 4.051 -0.093 1
1 631 . 5 1 1 A 54 54 LYS C C 54 177.748 178.884 -1.136 1
1 632 . 5 1 1 A 54 54 LYS CA C 54 59.355 59.392 -0.037 1
1 633 . 5 1 1 A 54 54 LYS CB C 54 32.920 32.173 0.747 1
1 637 . 5 1 1 A 54 54 LYS N N 54 123.420 118.554 4.866 1
1 638 . 5 1 1 A 55 55 LEU H H 55 7.337 7.870 -0.533 1
1 639 . 5 1 1 A 55 55 LEU HA H 55 3.822 3.945 -0.123 1
1 649 . 5 1 1 A 55 55 LEU C C 55 177.966 178.510 -0.544 1
1 650 . 5 1 1 A 55 55 LEU CA C 55 58.258 58.356 -0.098 1
1 651 . 5 1 1 A 55 55 LEU CB C 55 41.908 41.479 0.429 1
1 655 . 5 1 1 A 55 55 LEU N N 55 119.522 121.681 -2.159 1
1 656 . 5 1 1 A 56 56 VAL H H 56 8.503 8.376 0.127 1
1 657 . 5 1 1 A 56 56 VAL HA H 56 3.378 3.498 -0.120 1
1 665 . 5 1 1 A 56 56 VAL C C 56 177.576 177.668 -0.092 1
1 666 . 5 1 1 A 56 56 VAL CA C 56 67.460 66.971 0.489 1
1 667 . 5 1 1 A 56 56 VAL CB C 56 31.560 31.254 0.306 1
1 670 . 5 1 1 A 56 56 VAL N N 56 117.548 119.264 -1.716 1
1 671 . 5 1 1 A 57 57 LYS H H 57 8.003 7.616 0.387 1
1 672 . 5 1 1 A 57 57 LYS HA H 57 4.200 3.885 0.315 1
1 681 . 5 1 1 A 57 57 LYS C C 57 179.196 179.977 -0.781 1
1 682 . 5 1 1 A 57 57 LYS CA C 57 60.130 60.472 -0.342 1
1 683 . 5 1 1 A 57 57 LYS CB C 57 32.383 32.195 0.188 1
1 687 . 5 1 1 A 57 57 LYS N N 57 122.289 118.751 3.538 1
1 688 . 5 1 1 A 58 58 GLU H H 58 8.035 8.202 -0.167 1
1 689 . 5 1 1 A 58 58 GLU HA H 58 4.010 4.020 -0.010 1
1 694 . 5 1 1 A 58 58 GLU CA C 58 59.975 59.015 0.960 1
1 695 . 5 1 1 A 58 58 GLU CB C 58 29.430 29.222 0.208 1
1 697 . 5 1 1 A 58 58 GLU N N 58 119.482 120.662 -1.180 1
1 698 . 5 1 1 A 59 59 LEU H H 59 8.560 8.136 0.424 1
1 699 . 5 1 1 A 59 59 LEU HA H 59 3.998 3.945 0.053 1
1 709 . 5 1 1 A 59 59 LEU C C 59 178.239 179.250 -1.011 1
1 710 . 5 1 1 A 59 59 LEU CA C 59 58.200 57.953 0.247 1
1 711 . 5 1 1 A 59 59 LEU CB C 59 42.695 41.506 1.189 1
1 715 . 5 1 1 A 59 59 LEU N N 59 121.725 120.568 1.157 1
1 716 . 5 1 1 A 60 60 ASN H H 60 8.684 8.735 -0.051 1
1 717 . 5 1 1 A 60 60 ASN HA H 60 4.806 4.580 0.226 1
1 722 . 5 1 1 A 60 60 ASN C C 60 178.495 178.311 0.184 1
1 723 . 5 1 1 A 60 60 ASN CA C 60 57.895 56.643 1.252 1
1 724 . 5 1 1 A 60 60 ASN CB C 60 38.528 38.214 0.314 1
1 725 . 5 1 1 A 60 60 ASN N N 60 117.410 117.548 -0.138 1
1 727 . 5 1 1 A 61 61 GLU H H 61 8.602 8.480 0.122 1
1 728 . 5 1 1 A 61 61 GLU HA H 61 4.040 4.046 -0.006 1
1 733 . 5 1 1 A 61 61 GLU C C 61 178.325 178.763 -0.438 1
1 734 . 5 1 1 A 61 61 GLU CA C 61 59.814 59.499 0.315 1
1 735 . 5 1 1 A 61 61 GLU CB C 61 29.610 29.430 0.180 1
1 737 . 5 1 1 A 61 61 GLU N N 61 121.480 119.547 1.933 1
1 738 . 5 1 1 A 62 62 TYR H H 62 7.698 7.899 -0.201 1
1 739 . 5 1 1 A 62 62 TYR HA H 62 3.978 4.232 -0.254 1
1 746 . 5 1 1 A 62 62 TYR C C 62 177.947 177.762 0.185 1
1 747 . 5 1 1 A 62 62 TYR CA C 62 61.600 61.290 0.310 1
1 748 . 5 1 1 A 62 62 TYR CB C 62 37.513 38.306 -0.793 1
1 753 . 5 1 1 A 62 62 TYR N N 62 120.683 121.290 -0.607 1
1 754 . 5 1 1 A 63 63 PHE H H 63 7.982 8.126 -0.144 1
1 755 . 5 1 1 A 63 63 PHE HA H 63 3.932 3.985 -0.053 1
1 763 . 5 1 1 A 63 63 PHE CA C 63 63.262 62.445 0.817 1
1 764 . 5 1 1 A 63 63 PHE CB C 63 39.120 38.666 0.454 1
1 770 . 5 1 1 A 63 63 PHE N N 63 117.730 117.911 -0.181 1
1 771 . 5 1 1 A 64 64 GLU H H 64 8.554 8.427 0.127 1
1 772 . 5 1 1 A 64 64 GLU HA H 64 4.095 3.899 0.196 1
1 777 . 5 1 1 A 64 64 GLU C C 64 178.921 179.313 -0.392 1
1 778 . 5 1 1 A 64 64 GLU CA C 64 59.322 59.888 -0.566 1
1 779 . 5 1 1 A 64 64 GLU CB C 64 29.670 29.313 0.357 1
1 781 . 5 1 1 A 64 64 GLU N N 64 121.392 119.265 2.127 1
1 782 . 5 1 1 A 65 65 LYS H H 65 7.850 7.816 0.034 1
1 783 . 5 1 1 A 65 65 LYS HA H 65 3.982 4.031 -0.049 1
1 792 . 5 1 1 A 65 65 LYS C C 65 178.374 179.422 -1.048 1
1 793 . 5 1 1 A 65 65 LYS CA C 65 58.638 59.521 -0.883 1
1 794 . 5 1 1 A 65 65 LYS CB C 65 32.110 32.316 -0.206 1
1 798 . 5 1 1 A 65 65 LYS N N 65 118.746 119.823 -1.077 1
1 799 . 5 1 1 A 66 66 LYS H H 66 7.503 7.389 0.114 1
1 800 . 5 1 1 A 66 66 LYS HA H 66 3.880 3.929 -0.049 1
1 809 . 5 1 1 A 66 66 LYS C C 66 177.925 179.534 -1.609 1
1 810 . 5 1 1 A 66 66 LYS CA C 66 58.590 59.832 -1.242 1
1 811 . 5 1 1 A 66 66 LYS CB C 66 32.560 32.086 0.474 1
1 815 . 5 1 1 A 66 66 LYS N N 66 119.241 119.596 -0.355 1
1 816 . 5 1 1 A 67 67 GLU H H 67 7.876 8.169 -0.293 1
1 817 . 5 1 1 A 67 67 GLU HA H 67 4.097 4.073 0.024 1
1 822 . 5 1 1 A 67 67 GLU C C 67 178.016 178.128 -0.112 1
1 823 . 5 1 1 A 67 67 GLU CA C 67 58.280 58.900 -0.620 1
1 824 . 5 1 1 A 67 67 GLU CB C 67 29.802 29.564 0.238 1
1 826 . 5 1 1 A 67 67 GLU N N 67 119.096 119.926 -0.830 1
1 827 . 5 1 1 A 68 68 VAL H H 68 7.719 7.412 0.307 1
1 828 . 5 1 1 A 68 68 VAL HA H 68 3.797 3.819 -0.022 1
1 836 . 5 1 1 A 68 68 VAL C C 68 177.668 177.963 -0.295 1
1 837 . 5 1 1 A 68 68 VAL CA C 68 64.600 65.155 -0.555 1
1 838 . 5 1 1 A 68 68 VAL CB C 68 32.050 32.092 -0.042 1
1 841 . 5 1 1 A 68 68 VAL N N 68 119.409 120.345 -0.936 1
1 842 . 5 1 1 A 69 69 LEU H H 69 7.911 8.450 -0.539 1
1 843 . 5 1 1 A 69 69 LEU HA H 69 4.127 3.866 0.261 1
1 853 . 5 1 1 A 69 69 LEU C C 69 178.438 178.999 -0.561 1
1 854 . 5 1 1 A 69 69 LEU CA C 69 56.461 58.193 -1.732 1
1 855 . 5 1 1 A 69 69 LEU CB C 69 42.153 41.565 0.588 1
1 859 . 5 1 1 A 69 69 LEU N N 69 122.199 118.506 3.693 1
1 14 . 6 1 1 A 2 2 LYS H H 2 8.383 8.363 0.020 1
1 15 . 6 1 1 A 2 2 LYS HA H 2 4.314 4.526 -0.212 1
1 24 . 6 1 1 A 2 2 LYS C C 2 175.001 176.661 -1.660 1
1 25 . 6 1 1 A 2 2 LYS CA C 2 56.188 56.708 -0.520 1
1 26 . 6 1 1 A 2 2 LYS CB C 2 33.481 32.815 0.666 1
1 30 . 6 1 1 A 2 2 LYS N N 2 124.593 125.012 -0.419 1
1 31 . 6 1 1 A 3 3 ILE H H 3 9.639 8.590 1.049 1
1 32 . 6 1 1 A 3 3 ILE HA H 3 4.510 4.435 0.075 1
1 42 . 6 1 1 A 3 3 ILE C C 3 176.337 175.772 0.565 1
1 43 . 6 1 1 A 3 3 ILE CA C 3 58.009 61.803 -3.794 1
1 44 . 6 1 1 A 3 3 ILE CB C 3 36.405 37.906 -1.501 1
1 48 . 6 1 1 A 3 3 ILE N N 3 124.160 124.312 -0.152 1
1 49 . 6 1 1 A 4 4 THR H H 4 7.637 8.052 -0.415 1
1 50 . 6 1 1 A 4 4 THR HA H 4 4.795 4.915 -0.120 1
1 55 . 6 1 1 A 4 4 THR C C 4 175.818 175.526 0.292 1
1 56 . 6 1 1 A 4 4 THR CA C 4 59.550 59.125 0.425 1
1 57 . 6 1 1 A 4 4 THR CB C 4 71.365 71.849 -0.484 1
1 59 . 6 1 1 A 4 4 THR N N 4 115.631 116.229 -0.598 1
1 60 . 6 1 1 A 5 5 LYS H H 5 9.100 8.939 0.161 1
1 61 . 6 1 1 A 5 5 LYS HA H 5 3.910 4.118 -0.208 1
1 70 . 6 1 1 A 5 5 LYS C C 5 173.504 178.115 -4.611 1
1 71 . 6 1 1 A 5 5 LYS CA C 5 58.730 58.515 0.215 1
1 72 . 6 1 1 A 5 5 LYS CB C 5 32.584 31.993 0.591 1
1 76 . 6 1 1 A 5 5 LYS N N 5 117.257 119.258 -2.001 1
1 77 . 6 1 1 A 6 6 ASP H H 6 8.542 7.659 0.883 1
1 78 . 6 1 1 A 6 6 ASP HA H 6 4.577 4.633 -0.056 1
1 81 . 6 1 1 A 6 6 ASP C C 6 176.227 176.501 -0.274 1
1 82 . 6 1 1 A 6 6 ASP CA C 6 53.772 55.605 -1.833 1
1 83 . 6 1 1 A 6 6 ASP CB C 6 40.478 41.297 -0.819 1
1 84 . 6 1 1 A 6 6 ASP N N 6 115.528 119.597 -4.069 1
1 85 . 6 1 1 A 7 7 MET H H 7 7.545 7.682 -0.137 1
1 86 . 6 1 1 A 7 7 MET HA H 7 4.037 4.478 -0.441 1
1 94 . 6 1 1 A 7 7 MET C C 7 174.214 176.329 -2.115 1
1 95 . 6 1 1 A 7 7 MET CA C 7 57.578 55.331 2.247 1
1 96 . 6 1 1 A 7 7 MET CB C 7 33.295 32.761 0.534 1
1 99 . 6 1 1 A 7 7 MET N N 7 119.925 119.359 0.566 1
1 100 . 6 1 1 A 8 8 ILE H H 8 8.721 8.447 0.274 1
1 101 . 6 1 1 A 8 8 ILE HA H 8 4.110 4.037 0.073 1
1 111 . 6 1 1 A 8 8 ILE C C 8 178.731 176.882 1.849 1
1 112 . 6 1 1 A 8 8 ILE CA C 8 59.060 61.966 -2.906 1
1 113 . 6 1 1 A 8 8 ILE CB C 8 36.472 37.836 -1.364 1
1 117 . 6 1 1 A 8 8 ILE N N 8 121.085 124.227 -3.142 1
1 118 . 6 1 1 A 9 9 ILE H H 9 8.522 8.495 0.027 1
1 119 . 6 1 1 A 9 9 ILE HA H 9 3.238 3.538 -0.300 1
1 129 . 6 1 1 A 9 9 ILE C C 9 178.227 177.252 0.975 1
1 130 . 6 1 1 A 9 9 ILE CA C 9 67.720 65.112 2.608 1
1 131 . 6 1 1 A 9 9 ILE CB C 9 37.078 37.487 -0.409 1
1 135 . 6 1 1 A 9 9 ILE N N 9 128.907 124.655 4.252 1
1 136 . 6 1 1 A 10 10 ALA H H 10 8.578 8.030 0.548 1
1 137 . 6 1 1 A 10 10 ALA HA H 10 3.837 3.951 -0.114 1
1 141 . 6 1 1 A 10 10 ALA C C 10 179.790 179.223 0.567 1
1 142 . 6 1 1 A 10 10 ALA CA C 10 55.447 55.353 0.094 1
1 143 . 6 1 1 A 10 10 ALA CB C 10 19.000 17.972 1.028 1
1 144 . 6 1 1 A 10 10 ALA N N 10 118.416 121.557 -3.141 1
1 145 . 6 1 1 A 11 11 ASP H H 11 7.100 8.106 -1.006 1
1 146 . 6 1 1 A 11 11 ASP HA H 11 4.380 4.340 0.040 1
1 149 . 6 1 1 A 11 11 ASP C C 11 178.903 178.838 0.065 1
1 150 . 6 1 1 A 11 11 ASP CA C 11 56.979 57.568 -0.589 1
1 151 . 6 1 1 A 11 11 ASP CB C 11 39.520 41.353 -1.833 1
1 152 . 6 1 1 A 11 11 ASP N N 11 116.224 118.545 -2.321 1
1 153 . 6 1 1 A 12 12 VAL H H 12 7.723 7.915 -0.192 1
1 154 . 6 1 1 A 12 12 VAL HA H 12 3.862 3.707 0.155 1
1 162 . 6 1 1 A 12 12 VAL C C 12 177.664 178.251 -0.587 1
1 163 . 6 1 1 A 12 12 VAL CA C 12 66.656 66.556 0.100 1
1 164 . 6 1 1 A 12 12 VAL CB C 12 31.980 31.710 0.270 1
1 167 . 6 1 1 A 12 12 VAL N N 12 123.054 119.910 3.144 1
1 168 . 6 1 1 A 13 13 LEU H H 13 7.995 8.457 -0.462 1
1 169 . 6 1 1 A 13 13 LEU HA H 13 3.945 4.057 -0.112 1
1 179 . 6 1 1 A 13 13 LEU C C 13 175.458 179.712 -4.254 1
1 180 . 6 1 1 A 13 13 LEU CA C 13 57.259 57.821 -0.562 1
1 181 . 6 1 1 A 13 13 LEU CB C 13 42.140 40.915 1.225 1
1 185 . 6 1 1 A 13 13 LEU N N 13 118.291 120.324 -2.033 1
1 186 . 6 1 1 A 14 14 GLN H H 14 7.580 7.908 -0.328 1
1 187 . 6 1 1 A 14 14 GLN HA H 14 3.988 4.054 -0.066 1
1 194 . 6 1 1 A 14 14 GLN C C 14 178.311 179.210 -0.899 1
1 195 . 6 1 1 A 14 14 GLN CA C 14 57.659 59.150 -1.491 1
1 196 . 6 1 1 A 14 14 GLN CB C 14 28.700 28.274 0.426 1
1 198 . 6 1 1 A 14 14 GLN N N 14 114.621 118.472 -3.851 1
1 200 . 6 1 1 A 15 15 MET H H 15 7.675 7.806 -0.131 1
1 201 . 6 1 1 A 15 15 MET HA H 15 4.069 4.348 -0.279 1
1 209 . 6 1 1 A 15 15 MET C C 15 177.780 176.616 1.164 1
1 210 . 6 1 1 A 15 15 MET CA C 15 59.420 58.965 0.455 1
1 211 . 6 1 1 A 15 15 MET CB C 15 33.423 33.435 -0.012 1
1 214 . 6 1 1 A 15 15 MET N N 15 119.587 119.023 0.564 1
1 215 . 6 1 1 A 16 16 ASP H H 16 7.520 7.792 -0.272 1
1 216 . 6 1 1 A 16 16 ASP HA H 16 4.613 4.956 -0.343 1
1 219 . 6 1 1 A 16 16 ASP C C 16 175.706 176.011 -0.305 1
1 220 . 6 1 1 A 16 16 ASP CA C 16 55.090 54.034 1.056 1
1 221 . 6 1 1 A 16 16 ASP CB C 16 43.460 42.899 0.561 1
1 222 . 6 1 1 A 16 16 ASP N N 16 113.838 116.860 -3.022 1
1 223 . 6 1 1 A 17 17 ARG H H 17 9.352 8.899 0.453 1
1 224 . 6 1 1 A 17 17 ARG HA H 17 4.253 4.119 0.134 1
1 231 . 6 1 1 A 17 17 ARG C C 17 178.889 177.926 0.963 1
1 232 . 6 1 1 A 17 17 ARG CA C 17 58.566 59.137 -0.571 1
1 233 . 6 1 1 A 17 17 ARG CB C 17 29.280 29.880 -0.600 1
1 236 . 6 1 1 A 17 17 ARG N N 17 131.098 125.490 5.608 1
1 237 . 6 1 1 A 18 18 GLY H H 18 9.534 8.231 1.303 1
1 238 . 6 1 1 A 18 18 GLY HA2 H 18 3.857 3.929 -0.072 1
1 239 . 6 1 1 A 18 18 GLY HA3 H 18 3.946 4.001 -0.055 1
1 240 . 6 1 1 A 18 18 GLY C C 18 173.747 175.405 -1.658 1
1 241 . 6 1 1 A 18 18 GLY CA C 18 45.820 46.083 -0.263 1
1 242 . 6 1 1 A 18 18 GLY N N 18 111.218 108.144 3.074 1
1 243 . 6 1 1 A 19 19 THR H H 19 7.486 7.826 -0.340 1
1 244 . 6 1 1 A 19 19 THR HA H 19 3.293 3.671 -0.378 1
1 249 . 6 1 1 A 19 19 THR C C 19 177.067 176.709 0.358 1
1 250 . 6 1 1 A 19 19 THR CA C 19 63.090 64.012 -0.922 1
1 251 . 6 1 1 A 19 19 THR CB C 19 69.960 68.418 1.542 1
1 253 . 6 1 1 A 19 19 THR N N 19 106.889 111.589 -4.700 1
1 254 . 6 1 1 A 20 20 ALA H H 20 7.648 8.170 -0.522 1
1 255 . 6 1 1 A 20 20 ALA HA H 20 4.246 4.292 -0.046 1
1 259 . 6 1 1 A 20 20 ALA CA C 20 57.780 57.132 0.648 1
1 260 . 6 1 1 A 20 20 ALA CB C 20 15.960 16.906 -0.946 1
1 261 . 6 1 1 A 20 20 ALA N N 20 125.258 125.115 0.143 1
1 262 . 6 1 1 A 21 21 PRO HA H 21 4.169 4.297 -0.128 1
1 269 . 6 1 1 A 21 21 PRO C C 21 177.812 179.033 -1.221 1
1 270 . 6 1 1 A 21 21 PRO CA C 21 65.630 65.405 0.225 1
1 271 . 6 1 1 A 21 21 PRO CB C 21 31.220 30.948 0.272 1
1 274 . 6 1 1 A 22 22 ILE H H 22 7.120 7.213 -0.093 1
1 275 . 6 1 1 A 22 22 ILE HA H 22 3.622 3.702 -0.080 1
1 285 . 6 1 1 A 22 22 ILE C C 22 179.561 178.032 1.529 1
1 286 . 6 1 1 A 22 22 ILE CA C 22 64.640 63.907 0.733 1
1 287 . 6 1 1 A 22 22 ILE CB C 22 37.200 37.325 -0.125 1
1 291 . 6 1 1 A 22 22 ILE N N 22 117.089 116.857 0.232 1
1 292 . 6 1 1 A 23 23 PHE H H 23 7.411 7.560 -0.149 1
1 293 . 6 1 1 A 23 23 PHE HA H 23 3.919 4.259 -0.340 1
1 301 . 6 1 1 A 23 23 PHE C C 23 178.486 178.186 0.300 1
1 302 . 6 1 1 A 23 23 PHE CA C 23 63.450 60.836 2.614 1
1 303 . 6 1 1 A 23 23 PHE CB C 23 38.740 38.800 -0.060 1
1 309 . 6 1 1 A 23 23 PHE N N 23 118.753 119.197 -0.444 1
1 310 . 6 1 1 A 24 24 ILE H H 24 8.077 8.423 -0.346 1
1 311 . 6 1 1 A 24 24 ILE HA H 24 3.503 3.557 -0.054 1
1 321 . 6 1 1 A 24 24 ILE C C 24 180.431 177.897 2.534 1
1 322 . 6 1 1 A 24 24 ILE CA C 24 64.997 65.406 -0.409 1
1 323 . 6 1 1 A 24 24 ILE CB C 24 38.110 37.426 0.684 1
1 327 . 6 1 1 A 24 24 ILE N N 24 120.410 119.592 0.818 1
1 328 . 6 1 1 A 25 25 ASN H H 25 8.971 8.653 0.318 1
1 329 . 6 1 1 A 25 25 ASN HA H 25 4.453 4.301 0.152 1
1 334 . 6 1 1 A 25 25 ASN C C 25 176.784 177.901 -1.117 1
1 335 . 6 1 1 A 25 25 ASN CA C 25 55.321 57.010 -1.689 1
1 336 . 6 1 1 A 25 25 ASN CB C 25 37.880 39.524 -1.644 1
1 337 . 6 1 1 A 25 25 ASN N N 25 120.191 120.097 0.094 1
1 339 . 6 1 1 A 26 26 ASN H H 26 7.315 7.667 -0.352 1
1 340 . 6 1 1 A 26 26 ASN HA H 26 4.601 4.734 -0.133 1
1 345 . 6 1 1 A 26 26 ASN C C 26 173.732 175.404 -1.672 1
1 346 . 6 1 1 A 26 26 ASN CA C 26 54.840 53.339 1.501 1
1 347 . 6 1 1 A 26 26 ASN CB C 26 40.890 38.593 2.297 1
1 348 . 6 1 1 A 26 26 ASN N N 26 116.500 114.353 2.147 1
1 350 . 6 1 1 A 27 27 GLY H H 27 7.880 7.663 0.217 1
1 351 . 6 1 1 A 27 27 GLY HA2 H 27 4.305 3.914 0.391 1
1 352 . 6 1 1 A 27 27 GLY HA3 H 27 3.570 3.921 -0.351 1
1 353 . 6 1 1 A 27 27 GLY CA C 27 45.308 44.829 0.479 1
1 354 . 6 1 1 A 27 27 GLY N N 27 104.918 105.824 -0.906 1
1 355 . 6 1 1 A 28 28 MET H H 28 7.948 7.720 0.228 1
1 356 . 6 1 1 A 28 28 MET HA H 28 4.190 4.511 -0.321 1
1 364 . 6 1 1 A 28 28 MET C C 28 174.147 174.805 -0.658 1
1 365 . 6 1 1 A 28 28 MET CA C 28 54.335 56.095 -1.760 1
1 366 . 6 1 1 A 28 28 MET CB C 28 31.978 33.054 -1.076 1
1 369 . 6 1 1 A 28 28 MET N N 28 120.940 120.438 0.502 1
1 370 . 6 1 1 A 29 29 HIS H H 29 7.994 8.735 -0.741 1
1 371 . 6 1 1 A 29 29 HIS HA H 29 4.592 5.009 -0.417 1
1 375 . 6 1 1 A 29 29 HIS C C 29 177.664 175.053 2.611 1
1 376 . 6 1 1 A 29 29 HIS CA C 29 56.178 54.749 1.429 1
1 377 . 6 1 1 A 29 29 HIS CB C 29 30.190 32.882 -2.692 1
1 378 . 6 1 1 A 29 29 HIS N N 29 121.779 119.513 2.266 1
1 379 . 6 1 1 A 30 30 CYS H H 30 7.867 9.017 -1.150 1
1 380 . 6 1 1 A 30 30 CYS HA H 30 4.555 4.023 0.532 1
1 383 . 6 1 1 A 30 30 CYS C C 30 174.265 174.754 -0.489 1
1 384 . 6 1 1 A 30 30 CYS CA C 30 57.398 60.504 -3.106 1
1 385 . 6 1 1 A 30 30 CYS CB C 30 28.234 27.207 1.027 1
1 386 . 6 1 1 A 30 30 CYS N N 30 116.200 121.318 -5.118 1
1 387 . 6 1 1 A 31 31 LEU H H 31 7.845 7.896 -0.051 1
1 388 . 6 1 1 A 31 31 LEU HA H 31 4.045 3.954 0.091 1
1 398 . 6 1 1 A 31 31 LEU C C 31 177.285 177.290 -0.005 1
1 399 . 6 1 1 A 31 31 LEU CA C 31 56.415 56.430 -0.015 1
1 400 . 6 1 1 A 31 31 LEU CB C 31 41.172 41.583 -0.411 1
1 404 . 6 1 1 A 31 31 LEU N N 31 122.518 122.142 0.376 1
1 405 . 6 1 1 A 32 32 GLY H H 32 8.292 8.737 -0.445 1
1 406 . 6 1 1 A 32 32 GLY HA2 H 32 3.852 3.978 -0.126 1
1 407 . 6 1 1 A 32 32 GLY HA3 H 32 3.852 3.985 -0.133 1
1 408 . 6 1 1 A 32 32 GLY C C 32 173.868 174.853 -0.985 1
1 409 . 6 1 1 A 32 32 GLY CA C 32 45.182 45.262 -0.080 1
1 410 . 6 1 1 A 32 32 GLY N N 32 108.193 114.238 -6.045 1
1 411 . 6 1 1 A 33 33 CYS H H 33 7.747 7.671 0.076 1
1 412 . 6 1 1 A 33 33 CYS HA H 33 4.826 4.567 0.259 1
1 415 . 6 1 1 A 33 33 CYS CA C 33 56.005 58.243 -2.238 1
1 416 . 6 1 1 A 33 33 CYS CB C 33 27.330 27.542 -0.212 1
1 417 . 6 1 1 A 33 33 CYS N N 33 120.574 119.784 0.790 1
1 418 . 6 1 1 A 34 34 PRO HA H 34 4.179 4.276 -0.097 1
1 425 . 6 1 1 A 34 34 PRO C C 34 178.582 178.228 0.354 1
1 426 . 6 1 1 A 34 34 PRO CA C 34 65.610 65.755 -0.145 1
1 427 . 6 1 1 A 34 34 PRO CB C 34 32.071 31.625 0.446 1
1 430 . 6 1 1 A 35 35 SER H H 35 8.315 8.316 -0.001 1
1 431 . 6 1 1 A 35 35 SER HA H 35 4.209 4.223 -0.014 1
1 434 . 6 1 1 A 35 35 SER C C 35 177.910 177.238 0.672 1
1 435 . 6 1 1 A 35 35 SER CA C 35 60.704 61.332 -0.628 1
1 436 . 6 1 1 A 35 35 SER CB C 35 62.590 63.104 -0.514 1
1 437 . 6 1 1 A 35 35 SER N N 35 112.899 112.542 0.357 1
1 438 . 6 1 1 A 36 36 SER H H 36 7.903 8.211 -0.308 1
1 439 . 6 1 1 A 36 36 SER HA H 36 4.432 4.126 0.306 1
1 442 . 6 1 1 A 36 36 SER C C 36 175.084 176.610 -1.526 1
1 443 . 6 1 1 A 36 36 SER CA C 36 60.336 61.205 -0.869 1
1 444 . 6 1 1 A 36 36 SER CB C 36 63.920 63.082 0.838 1
1 445 . 6 1 1 A 36 36 SER N N 36 117.747 115.272 2.475 1
1 446 . 6 1 1 A 37 37 MET H H 37 7.646 7.867 -0.221 1
1 447 . 6 1 1 A 37 37 MET HA H 37 4.114 4.225 -0.111 1
1 455 . 6 1 1 A 37 37 MET C C 37 175.617 177.798 -2.181 1
1 456 . 6 1 1 A 37 37 MET CA C 37 56.922 58.275 -1.353 1
1 457 . 6 1 1 A 37 37 MET CB C 37 32.891 32.655 0.236 1
1 460 . 6 1 1 A 37 37 MET N N 37 117.790 119.318 -1.528 1
1 461 . 6 1 1 A 38 38 GLY H H 38 7.742 8.052 -0.310 1
1 462 . 6 1 1 A 38 38 GLY HA2 H 38 4.156 3.930 0.226 1
1 463 . 6 1 1 A 38 38 GLY HA3 H 38 3.623 3.935 -0.312 1
1 464 . 6 1 1 A 38 38 GLY C C 38 174.147 173.913 0.234 1
1 465 . 6 1 1 A 38 38 GLY CA C 38 45.260 45.252 0.008 1
1 466 . 6 1 1 A 38 38 GLY N N 38 104.897 107.584 -2.687 1
1 467 . 6 1 1 A 39 39 GLU H H 39 7.288 7.542 -0.254 1
1 468 . 6 1 1 A 39 39 GLU HA H 39 4.539 5.006 -0.467 1
1 473 . 6 1 1 A 39 39 GLU C C 39 173.845 175.692 -1.847 1
1 474 . 6 1 1 A 39 39 GLU CA C 39 54.885 54.927 -0.042 1
1 475 . 6 1 1 A 39 39 GLU CB C 39 31.980 32.402 -0.422 1
1 477 . 6 1 1 A 39 39 GLU N N 39 119.469 119.357 0.112 1
1 478 . 6 1 1 A 40 40 SER H H 40 9.174 8.916 0.258 1
1 479 . 6 1 1 A 40 40 SER HA H 40 4.847 4.811 0.036 1
1 482 . 6 1 1 A 40 40 SER C C 40 175.082 176.179 -1.097 1
1 483 . 6 1 1 A 40 40 SER CA C 40 56.757 57.340 -0.583 1
1 484 . 6 1 1 A 40 40 SER CB C 40 65.397 65.499 -0.102 1
1 485 . 6 1 1 A 40 40 SER N N 40 115.819 114.261 1.558 1
1 486 . 6 1 1 A 41 41 ILE H H 41 8.739 8.748 -0.009 1
1 487 . 6 1 1 A 41 41 ILE HA H 41 3.512 3.770 -0.258 1
1 497 . 6 1 1 A 41 41 ILE C C 41 178.832 177.764 1.068 1
1 498 . 6 1 1 A 41 41 ILE CA C 41 67.190 65.215 1.975 1
1 499 . 6 1 1 A 41 41 ILE CB C 41 38.460 37.786 0.674 1
1 503 . 6 1 1 A 41 41 ILE N N 41 121.236 122.363 -1.127 1
1 504 . 6 1 1 A 42 42 GLU H H 42 8.932 8.917 0.015 1
1 505 . 6 1 1 A 42 42 GLU HA H 42 3.826 4.055 -0.229 1
1 510 . 6 1 1 A 42 42 GLU C C 42 178.134 178.447 -0.313 1
1 511 . 6 1 1 A 42 42 GLU CA C 42 59.860 59.262 0.598 1
1 512 . 6 1 1 A 42 42 GLU CB C 42 29.286 29.077 0.209 1
1 514 . 6 1 1 A 42 42 GLU N N 42 117.512 120.259 -2.747 1
1 515 . 6 1 1 A 43 43 ASP H H 43 8.090 7.849 0.241 1
1 516 . 6 1 1 A 43 43 ASP HA H 43 4.428 4.364 0.064 1
1 519 . 6 1 1 A 43 43 ASP C C 43 179.021 178.105 0.916 1
1 520 . 6 1 1 A 43 43 ASP CA C 43 57.460 57.481 -0.021 1
1 521 . 6 1 1 A 43 43 ASP CB C 43 39.485 41.307 -1.822 1
1 522 . 6 1 1 A 43 43 ASP N N 43 122.750 120.498 2.252 1
1 523 . 6 1 1 A 44 44 ALA H H 44 8.807 8.373 0.434 1
1 524 . 6 1 1 A 44 44 ALA HA H 44 4.242 4.247 -0.005 1
1 528 . 6 1 1 A 44 44 ALA C C 44 181.423 179.952 1.471 1
1 529 . 6 1 1 A 44 44 ALA CA C 44 55.260 55.250 0.010 1
1 530 . 6 1 1 A 44 44 ALA CB C 44 19.775 17.868 1.907 1
1 531 . 6 1 1 A 44 44 ALA N N 44 123.434 120.791 2.643 1
1 532 . 6 1 1 A 45 45 CYS H H 45 8.663 8.321 0.342 1
1 533 . 6 1 1 A 45 45 CYS HA H 45 4.039 4.198 -0.159 1
1 536 . 6 1 1 A 45 45 CYS C C 45 176.954 176.958 -0.004 1
1 537 . 6 1 1 A 45 45 CYS CA C 45 65.300 63.177 2.123 1
1 538 . 6 1 1 A 45 45 CYS CB C 45 26.940 26.719 0.221 1
1 539 . 6 1 1 A 45 45 CYS N N 45 115.424 116.526 -1.102 1
1 540 . 6 1 1 A 46 46 ALA H H 46 7.844 7.683 0.161 1
1 541 . 6 1 1 A 46 46 ALA HA H 46 4.274 4.105 0.169 1
1 545 . 6 1 1 A 46 46 ALA C C 46 180.730 180.263 0.467 1
1 546 . 6 1 1 A 46 46 ALA CA C 46 55.127 55.033 0.094 1
1 547 . 6 1 1 A 46 46 ALA CB C 46 18.020 18.186 -0.166 1
1 548 . 6 1 1 A 46 46 ALA N N 46 122.366 122.325 0.041 1
1 549 . 6 1 1 A 47 47 VAL H H 47 7.503 7.762 -0.259 1
1 550 . 6 1 1 A 47 47 VAL HA H 47 3.690 3.694 -0.004 1
1 558 . 6 1 1 A 47 47 VAL C C 47 177.652 177.464 0.188 1
1 559 . 6 1 1 A 47 47 VAL CA C 47 65.530 66.508 -0.978 1
1 560 . 6 1 1 A 47 47 VAL CB C 47 32.140 31.788 0.352 1
1 563 . 6 1 1 A 47 47 VAL N N 47 116.850 119.175 -2.325 1
1 564 . 6 1 1 A 48 48 HIS H H 48 7.496 7.527 -0.031 1
1 565 . 6 1 1 A 48 48 HIS HA H 48 4.629 4.632 -0.003 1
1 569 . 6 1 1 A 48 48 HIS C C 48 174.865 175.597 -0.732 1
1 570 . 6 1 1 A 48 48 HIS CA C 48 56.985 57.389 -0.404 1
1 571 . 6 1 1 A 48 48 HIS CB C 48 31.033 30.725 0.308 1
1 573 . 6 1 1 A 48 48 HIS N N 48 114.271 118.885 -4.614 1
1 574 . 6 1 1 A 49 49 GLY H H 49 7.846 8.126 -0.280 1
1 575 . 6 1 1 A 49 49 GLY HA2 H 49 4.002 3.833 0.169 1
1 576 . 6 1 1 A 49 49 GLY HA3 H 49 4.002 3.874 0.128 1
1 577 . 6 1 1 A 49 49 GLY C C 49 174.536 174.800 -0.264 1
1 578 . 6 1 1 A 49 49 GLY CA C 49 47.189 46.391 0.798 1
1 579 . 6 1 1 A 49 49 GLY N N 49 110.669 107.996 2.673 1
1 580 . 6 1 1 A 50 50 ILE H H 50 8.126 8.522 -0.396 1
1 581 . 6 1 1 A 50 50 ILE HA H 50 4.295 4.360 -0.065 1
1 591 . 6 1 1 A 50 50 ILE C C 50 175.038 175.061 -0.023 1
1 592 . 6 1 1 A 50 50 ILE CA C 50 59.759 60.463 -0.704 1
1 593 . 6 1 1 A 50 50 ILE CB C 50 41.222 39.097 2.125 1
1 597 . 6 1 1 A 50 50 ILE N N 50 119.905 121.044 -1.139 1
1 598 . 6 1 1 A 51 51 ASP H H 51 8.497 8.584 -0.087 1
1 599 . 6 1 1 A 51 51 ASP HA H 51 4.523 4.757 -0.234 1
1 602 . 6 1 1 A 51 51 ASP C C 51 175.978 176.658 -0.680 1
1 603 . 6 1 1 A 51 51 ASP CA C 51 54.100 52.995 1.105 1
1 604 . 6 1 1 A 51 51 ASP CB C 51 40.990 40.361 0.629 1
1 605 . 6 1 1 A 51 51 ASP N N 51 124.951 126.004 -1.053 1
1 606 . 6 1 1 A 52 52 ALA H H 52 8.791 8.896 -0.105 1
1 607 . 6 1 1 A 52 52 ALA HA H 52 4.329 4.035 0.294 1
1 611 . 6 1 1 A 52 52 ALA CA C 52 55.070 55.273 -0.203 1
1 612 . 6 1 1 A 52 52 ALA CB C 52 19.480 18.339 1.141 1
1 613 . 6 1 1 A 52 52 ALA N N 52 131.766 129.129 2.637 1
1 614 . 6 1 1 A 53 53 ASP H H 53 8.082 8.188 -0.106 1
1 615 . 6 1 1 A 53 53 ASP HA H 53 4.321 4.342 -0.021 1
1 618 . 6 1 1 A 53 53 ASP CA C 53 57.500 58.390 -0.890 1
1 619 . 6 1 1 A 53 53 ASP CB C 53 39.940 42.060 -2.120 1
1 620 . 6 1 1 A 53 53 ASP N N 53 116.960 118.579 -1.619 1
1 621 . 6 1 1 A 54 54 LYS H H 54 7.762 7.738 0.024 1
1 622 . 6 1 1 A 54 54 LYS HA H 54 3.958 4.088 -0.130 1
1 631 . 6 1 1 A 54 54 LYS C C 54 177.748 178.681 -0.933 1
1 632 . 6 1 1 A 54 54 LYS CA C 54 59.355 59.332 0.023 1
1 633 . 6 1 1 A 54 54 LYS CB C 54 32.920 32.227 0.693 1
1 637 . 6 1 1 A 54 54 LYS N N 54 123.420 118.653 4.767 1
1 638 . 6 1 1 A 55 55 LEU H H 55 7.337 7.892 -0.555 1
1 639 . 6 1 1 A 55 55 LEU HA H 55 3.822 3.952 -0.130 1
1 649 . 6 1 1 A 55 55 LEU C C 55 177.966 178.257 -0.291 1
1 650 . 6 1 1 A 55 55 LEU CA C 55 58.258 58.309 -0.051 1
1 651 . 6 1 1 A 55 55 LEU CB C 55 41.908 41.466 0.442 1
1 655 . 6 1 1 A 55 55 LEU N N 55 119.522 121.780 -2.258 1
1 656 . 6 1 1 A 56 56 VAL H H 56 8.503 8.586 -0.083 1
1 657 . 6 1 1 A 56 56 VAL HA H 56 3.378 3.510 -0.132 1
1 665 . 6 1 1 A 56 56 VAL C C 56 177.576 178.243 -0.667 1
1 666 . 6 1 1 A 56 56 VAL CA C 56 67.460 66.784 0.676 1
1 667 . 6 1 1 A 56 56 VAL CB C 56 31.560 31.477 0.083 1
1 670 . 6 1 1 A 56 56 VAL N N 56 117.548 119.282 -1.734 1
1 671 . 6 1 1 A 57 57 LYS H H 57 8.003 7.592 0.411 1
1 672 . 6 1 1 A 57 57 LYS HA H 57 4.200 3.904 0.296 1
1 681 . 6 1 1 A 57 57 LYS C C 57 179.196 180.168 -0.972 1
1 682 . 6 1 1 A 57 57 LYS CA C 57 60.130 60.428 -0.298 1
1 683 . 6 1 1 A 57 57 LYS CB C 57 32.383 32.368 0.015 1
1 687 . 6 1 1 A 57 57 LYS N N 57 122.289 119.134 3.155 1
1 688 . 6 1 1 A 58 58 GLU H H 58 8.035 8.137 -0.102 1
1 689 . 6 1 1 A 58 58 GLU HA H 58 4.010 4.170 -0.160 1
1 694 . 6 1 1 A 58 58 GLU CA C 58 59.975 59.105 0.870 1
1 695 . 6 1 1 A 58 58 GLU CB C 58 29.430 29.026 0.404 1
1 697 . 6 1 1 A 58 58 GLU N N 58 119.482 120.346 -0.864 1
1 698 . 6 1 1 A 59 59 LEU H H 59 8.560 8.176 0.384 1
1 699 . 6 1 1 A 59 59 LEU HA H 59 3.998 3.905 0.093 1
1 709 . 6 1 1 A 59 59 LEU C C 59 178.239 179.167 -0.928 1
1 710 . 6 1 1 A 59 59 LEU CA C 59 58.200 58.015 0.185 1
1 711 . 6 1 1 A 59 59 LEU CB C 59 42.695 41.621 1.074 1
1 715 . 6 1 1 A 59 59 LEU N N 59 121.725 120.551 1.174 1
1 716 . 6 1 1 A 60 60 ASN H H 60 8.684 8.896 -0.212 1
1 717 . 6 1 1 A 60 60 ASN HA H 60 4.806 4.606 0.200 1
1 722 . 6 1 1 A 60 60 ASN C C 60 178.495 178.261 0.234 1
1 723 . 6 1 1 A 60 60 ASN CA C 60 57.895 56.692 1.203 1
1 724 . 6 1 1 A 60 60 ASN CB C 60 38.528 38.006 0.522 1
1 725 . 6 1 1 A 60 60 ASN N N 60 117.410 117.518 -0.108 1
1 727 . 6 1 1 A 61 61 GLU H H 61 8.602 8.478 0.124 1
1 728 . 6 1 1 A 61 61 GLU HA H 61 4.040 4.049 -0.009 1
1 733 . 6 1 1 A 61 61 GLU C C 61 178.325 178.784 -0.459 1
1 734 . 6 1 1 A 61 61 GLU CA C 61 59.814 59.520 0.294 1
1 735 . 6 1 1 A 61 61 GLU CB C 61 29.610 29.418 0.192 1
1 737 . 6 1 1 A 61 61 GLU N N 61 121.480 119.543 1.937 1
1 738 . 6 1 1 A 62 62 TYR H H 62 7.698 7.667 0.031 1
1 739 . 6 1 1 A 62 62 TYR HA H 62 3.978 4.189 -0.211 1
1 746 . 6 1 1 A 62 62 TYR C C 62 177.947 177.419 0.528 1
1 747 . 6 1 1 A 62 62 TYR CA C 62 61.600 61.260 0.340 1
1 748 . 6 1 1 A 62 62 TYR CB C 62 37.513 37.724 -0.211 1
1 753 . 6 1 1 A 62 62 TYR N N 62 120.683 121.265 -0.582 1
1 754 . 6 1 1 A 63 63 PHE H H 63 7.982 8.124 -0.142 1
1 755 . 6 1 1 A 63 63 PHE HA H 63 3.932 4.115 -0.183 1
1 763 . 6 1 1 A 63 63 PHE CA C 63 63.262 62.232 1.030 1
1 764 . 6 1 1 A 63 63 PHE CB C 63 39.120 38.761 0.359 1
1 770 . 6 1 1 A 63 63 PHE N N 63 117.730 118.721 -0.991 1
1 771 . 6 1 1 A 64 64 GLU H H 64 8.554 8.477 0.077 1
1 772 . 6 1 1 A 64 64 GLU HA H 64 4.095 4.141 -0.046 1
1 777 . 6 1 1 A 64 64 GLU C C 64 178.921 178.930 -0.009 1
1 778 . 6 1 1 A 64 64 GLU CA C 64 59.322 59.497 -0.175 1
1 779 . 6 1 1 A 64 64 GLU CB C 64 29.670 28.985 0.685 1
1 781 . 6 1 1 A 64 64 GLU N N 64 121.392 120.355 1.037 1
1 782 . 6 1 1 A 65 65 LYS H H 65 7.850 7.908 -0.058 1
1 783 . 6 1 1 A 65 65 LYS HA H 65 3.982 4.143 -0.161 1
1 792 . 6 1 1 A 65 65 LYS C C 65 178.374 178.600 -0.226 1
1 793 . 6 1 1 A 65 65 LYS CA C 65 58.638 59.217 -0.579 1
1 794 . 6 1 1 A 65 65 LYS CB C 65 32.110 32.190 -0.080 1
1 798 . 6 1 1 A 65 65 LYS N N 65 118.746 120.004 -1.258 1
1 799 . 6 1 1 A 66 66 LYS H H 66 7.503 7.601 -0.098 1
1 800 . 6 1 1 A 66 66 LYS HA H 66 3.880 3.759 0.121 1
1 809 . 6 1 1 A 66 66 LYS C C 66 177.925 179.783 -1.858 1
1 810 . 6 1 1 A 66 66 LYS CA C 66 58.590 60.153 -1.563 1
1 811 . 6 1 1 A 66 66 LYS CB C 66 32.560 32.111 0.449 1
1 815 . 6 1 1 A 66 66 LYS N N 66 119.241 119.888 -0.647 1
1 816 . 6 1 1 A 67 67 GLU H H 67 7.876 8.366 -0.490 1
1 817 . 6 1 1 A 67 67 GLU HA H 67 4.097 4.027 0.070 1
1 822 . 6 1 1 A 67 67 GLU C C 67 178.016 178.845 -0.829 1
1 823 . 6 1 1 A 67 67 GLU CA C 67 58.280 58.906 -0.626 1
1 824 . 6 1 1 A 67 67 GLU CB C 67 29.802 29.268 0.534 1
1 826 . 6 1 1 A 67 67 GLU N N 67 119.096 120.287 -1.191 1
1 827 . 6 1 1 A 68 68 VAL H H 68 7.719 7.472 0.247 1
1 828 . 6 1 1 A 68 68 VAL HA H 68 3.797 3.753 0.044 1
1 836 . 6 1 1 A 68 68 VAL C C 68 177.668 178.159 -0.491 1
1 837 . 6 1 1 A 68 68 VAL CA C 68 64.600 65.863 -1.263 1
1 838 . 6 1 1 A 68 68 VAL CB C 68 32.050 31.814 0.236 1
1 841 . 6 1 1 A 68 68 VAL N N 68 119.409 121.222 -1.813 1
1 842 . 6 1 1 A 69 69 LEU H H 69 7.911 8.420 -0.509 1
1 843 . 6 1 1 A 69 69 LEU HA H 69 4.127 3.860 0.267 1
1 853 . 6 1 1 A 69 69 LEU C C 69 178.438 178.954 -0.516 1
1 854 . 6 1 1 A 69 69 LEU CA C 69 56.461 58.198 -1.737 1
1 855 . 6 1 1 A 69 69 LEU CB C 69 42.153 41.658 0.495 1
1 859 . 6 1 1 A 69 69 LEU N N 69 122.199 120.078 2.121 1
1 14 . 7 1 1 A 2 2 LYS H H 2 8.383 8.710 -0.327 1
1 15 . 7 1 1 A 2 2 LYS HA H 2 4.314 4.877 -0.563 1
1 24 . 7 1 1 A 2 2 LYS C C 2 175.001 175.201 -0.200 1
1 25 . 7 1 1 A 2 2 LYS CA C 2 56.188 55.380 0.808 1
1 26 . 7 1 1 A 2 2 LYS CB C 2 33.481 32.940 0.541 1
1 30 . 7 1 1 A 2 2 LYS N N 2 124.593 125.735 -1.142 1
1 31 . 7 1 1 A 3 3 ILE H H 3 9.639 8.655 0.984 1
1 32 . 7 1 1 A 3 3 ILE HA H 3 4.510 4.315 0.195 1
1 42 . 7 1 1 A 3 3 ILE C C 3 176.337 175.768 0.569 1
1 43 . 7 1 1 A 3 3 ILE CA C 3 58.009 61.609 -3.600 1
1 44 . 7 1 1 A 3 3 ILE CB C 3 36.405 38.025 -1.620 1
1 48 . 7 1 1 A 3 3 ILE N N 3 124.160 127.248 -3.088 1
1 49 . 7 1 1 A 4 4 THR H H 4 7.637 8.309 -0.672 1
1 50 . 7 1 1 A 4 4 THR HA H 4 4.795 5.012 -0.217 1
1 55 . 7 1 1 A 4 4 THR C C 4 175.818 175.197 0.621 1
1 56 . 7 1 1 A 4 4 THR CA C 4 59.550 59.113 0.437 1
1 57 . 7 1 1 A 4 4 THR CB C 4 71.365 71.868 -0.503 1
1 59 . 7 1 1 A 4 4 THR N N 4 115.631 116.210 -0.579 1
1 60 . 7 1 1 A 5 5 LYS H H 5 9.100 8.932 0.168 1
1 61 . 7 1 1 A 5 5 LYS HA H 5 3.910 4.107 -0.197 1
1 70 . 7 1 1 A 5 5 LYS C C 5 173.504 178.212 -4.708 1
1 71 . 7 1 1 A 5 5 LYS CA C 5 58.730 58.569 0.161 1
1 72 . 7 1 1 A 5 5 LYS CB C 5 32.584 31.992 0.592 1
1 76 . 7 1 1 A 5 5 LYS N N 5 117.257 119.866 -2.609 1
1 77 . 7 1 1 A 6 6 ASP H H 6 8.542 7.821 0.721 1
1 78 . 7 1 1 A 6 6 ASP HA H 6 4.577 4.502 0.075 1
1 81 . 7 1 1 A 6 6 ASP C C 6 176.227 176.555 -0.328 1
1 82 . 7 1 1 A 6 6 ASP CA C 6 53.772 56.268 -2.496 1
1 83 . 7 1 1 A 6 6 ASP CB C 6 40.478 40.501 -0.023 1
1 84 . 7 1 1 A 6 6 ASP N N 6 115.528 119.865 -4.337 1
1 85 . 7 1 1 A 7 7 MET H H 7 7.545 7.802 -0.257 1
1 86 . 7 1 1 A 7 7 MET HA H 7 4.037 4.606 -0.569 1
1 94 . 7 1 1 A 7 7 MET C C 7 174.214 175.789 -1.575 1
1 95 . 7 1 1 A 7 7 MET CA C 7 57.578 55.167 2.411 1
1 96 . 7 1 1 A 7 7 MET CB C 7 33.295 33.776 -0.481 1
1 99 . 7 1 1 A 7 7 MET N N 7 119.925 118.788 1.137 1
1 100 . 7 1 1 A 8 8 ILE H H 8 8.721 8.698 0.023 1
1 101 . 7 1 1 A 8 8 ILE HA H 8 4.110 4.170 -0.060 1
1 111 . 7 1 1 A 8 8 ILE C C 8 178.731 176.404 2.327 1
1 112 . 7 1 1 A 8 8 ILE CA C 8 59.060 61.358 -2.298 1
1 113 . 7 1 1 A 8 8 ILE CB C 8 36.472 38.212 -1.740 1
1 117 . 7 1 1 A 8 8 ILE N N 8 121.085 122.421 -1.336 1
1 118 . 7 1 1 A 9 9 ILE H H 9 8.522 8.208 0.314 1
1 119 . 7 1 1 A 9 9 ILE HA H 9 3.238 3.601 -0.363 1
1 129 . 7 1 1 A 9 9 ILE C C 9 178.227 177.350 0.877 1
1 130 . 7 1 1 A 9 9 ILE CA C 9 67.720 65.094 2.626 1
1 131 . 7 1 1 A 9 9 ILE CB C 9 37.078 37.376 -0.298 1
1 135 . 7 1 1 A 9 9 ILE N N 9 128.907 124.766 4.141 1
1 136 . 7 1 1 A 10 10 ALA H H 10 8.578 8.198 0.380 1
1 137 . 7 1 1 A 10 10 ALA HA H 10 3.837 3.931 -0.094 1
1 141 . 7 1 1 A 10 10 ALA C C 10 179.790 179.063 0.727 1
1 142 . 7 1 1 A 10 10 ALA CA C 10 55.447 55.416 0.031 1
1 143 . 7 1 1 A 10 10 ALA CB C 10 19.000 18.020 0.980 1
1 144 . 7 1 1 A 10 10 ALA N N 10 118.416 121.532 -3.116 1
1 145 . 7 1 1 A 11 11 ASP H H 11 7.100 8.114 -1.014 1
1 146 . 7 1 1 A 11 11 ASP HA H 11 4.380 4.382 -0.002 1
1 149 . 7 1 1 A 11 11 ASP C C 11 178.903 178.595 0.308 1
1 150 . 7 1 1 A 11 11 ASP CA C 11 56.979 57.499 -0.520 1
1 151 . 7 1 1 A 11 11 ASP CB C 11 39.520 41.512 -1.992 1
1 152 . 7 1 1 A 11 11 ASP N N 11 116.224 118.453 -2.229 1
1 153 . 7 1 1 A 12 12 VAL H H 12 7.723 8.203 -0.480 1
1 154 . 7 1 1 A 12 12 VAL HA H 12 3.862 3.765 0.097 1
1 162 . 7 1 1 A 12 12 VAL C C 12 177.664 178.226 -0.562 1
1 163 . 7 1 1 A 12 12 VAL CA C 12 66.656 66.856 -0.200 1
1 164 . 7 1 1 A 12 12 VAL CB C 12 31.980 31.615 0.365 1
1 167 . 7 1 1 A 12 12 VAL N N 12 123.054 119.470 3.584 1
1 168 . 7 1 1 A 13 13 LEU H H 13 7.995 8.296 -0.301 1
1 169 . 7 1 1 A 13 13 LEU HA H 13 3.945 4.139 -0.194 1
1 179 . 7 1 1 A 13 13 LEU C C 13 175.458 179.394 -3.936 1
1 180 . 7 1 1 A 13 13 LEU CA C 13 57.259 57.995 -0.736 1
1 181 . 7 1 1 A 13 13 LEU CB C 13 42.140 40.640 1.500 1
1 185 . 7 1 1 A 13 13 LEU N N 13 118.291 119.949 -1.658 1
1 186 . 7 1 1 A 14 14 GLN H H 14 7.580 8.186 -0.606 1
1 187 . 7 1 1 A 14 14 GLN HA H 14 3.988 4.360 -0.372 1
1 194 . 7 1 1 A 14 14 GLN C C 14 178.311 178.907 -0.596 1
1 195 . 7 1 1 A 14 14 GLN CA C 14 57.659 58.381 -0.722 1
1 196 . 7 1 1 A 14 14 GLN CB C 14 28.700 28.529 0.171 1
1 198 . 7 1 1 A 14 14 GLN N N 14 114.621 117.854 -3.233 1
1 200 . 7 1 1 A 15 15 MET H H 15 7.675 7.649 0.026 1
1 201 . 7 1 1 A 15 15 MET HA H 15 4.069 4.486 -0.417 1
1 209 . 7 1 1 A 15 15 MET C C 15 177.780 176.370 1.410 1
1 210 . 7 1 1 A 15 15 MET CA C 15 59.420 58.540 0.880 1
1 211 . 7 1 1 A 15 15 MET CB C 15 33.423 33.902 -0.479 1
1 214 . 7 1 1 A 15 15 MET N N 15 119.587 117.658 1.929 1
1 215 . 7 1 1 A 16 16 ASP H H 16 7.520 7.939 -0.419 1
1 216 . 7 1 1 A 16 16 ASP HA H 16 4.613 5.037 -0.424 1
1 219 . 7 1 1 A 16 16 ASP C C 16 175.706 175.781 -0.075 1
1 220 . 7 1 1 A 16 16 ASP CA C 16 55.090 53.372 1.718 1
1 221 . 7 1 1 A 16 16 ASP CB C 16 43.460 43.083 0.377 1
1 222 . 7 1 1 A 16 16 ASP N N 16 113.838 116.871 -3.033 1
1 223 . 7 1 1 A 17 17 ARG H H 17 9.352 8.911 0.441 1
1 224 . 7 1 1 A 17 17 ARG HA H 17 4.253 4.181 0.072 1
1 231 . 7 1 1 A 17 17 ARG C C 17 178.889 177.929 0.960 1
1 232 . 7 1 1 A 17 17 ARG CA C 17 58.566 58.779 -0.213 1
1 233 . 7 1 1 A 17 17 ARG CB C 17 29.280 29.918 -0.638 1
1 236 . 7 1 1 A 17 17 ARG N N 17 131.098 125.639 5.459 1
1 237 . 7 1 1 A 18 18 GLY H H 18 9.534 8.139 1.395 1
1 238 . 7 1 1 A 18 18 GLY HA2 H 18 3.857 3.898 -0.041 1
1 239 . 7 1 1 A 18 18 GLY HA3 H 18 3.946 3.987 -0.041 1
1 240 . 7 1 1 A 18 18 GLY C C 18 173.747 175.339 -1.592 1
1 241 . 7 1 1 A 18 18 GLY CA C 18 45.820 45.974 -0.154 1
1 242 . 7 1 1 A 18 18 GLY N N 18 111.218 108.186 3.032 1
1 243 . 7 1 1 A 19 19 THR H H 19 7.486 7.681 -0.195 1
1 244 . 7 1 1 A 19 19 THR HA H 19 3.293 3.608 -0.315 1
1 249 . 7 1 1 A 19 19 THR C C 19 177.067 176.641 0.426 1
1 250 . 7 1 1 A 19 19 THR CA C 19 63.090 64.041 -0.951 1
1 251 . 7 1 1 A 19 19 THR CB C 19 69.960 68.373 1.587 1
1 253 . 7 1 1 A 19 19 THR N N 19 106.889 111.725 -4.836 1
1 254 . 7 1 1 A 20 20 ALA H H 20 7.648 8.066 -0.418 1
1 255 . 7 1 1 A 20 20 ALA HA H 20 4.246 4.295 -0.049 1
1 259 . 7 1 1 A 20 20 ALA CA C 20 57.780 57.116 0.664 1
1 260 . 7 1 1 A 20 20 ALA CB C 20 15.960 17.007 -1.047 1
1 261 . 7 1 1 A 20 20 ALA N N 20 125.258 125.322 -0.064 1
1 262 . 7 1 1 A 21 21 PRO HA H 21 4.169 4.335 -0.166 1
1 269 . 7 1 1 A 21 21 PRO C C 21 177.812 178.985 -1.173 1
1 270 . 7 1 1 A 21 21 PRO CA C 21 65.630 65.426 0.204 1
1 271 . 7 1 1 A 21 21 PRO CB C 21 31.220 30.960 0.260 1
1 274 . 7 1 1 A 22 22 ILE H H 22 7.120 7.208 -0.088 1
1 275 . 7 1 1 A 22 22 ILE HA H 22 3.622 3.748 -0.126 1
1 285 . 7 1 1 A 22 22 ILE C C 22 179.561 178.004 1.557 1
1 286 . 7 1 1 A 22 22 ILE CA C 22 64.640 63.961 0.679 1
1 287 . 7 1 1 A 22 22 ILE CB C 22 37.200 37.185 0.015 1
1 291 . 7 1 1 A 22 22 ILE N N 22 117.089 117.021 0.068 1
1 292 . 7 1 1 A 23 23 PHE H H 23 7.411 7.709 -0.298 1
1 293 . 7 1 1 A 23 23 PHE HA H 23 3.919 4.306 -0.387 1
1 301 . 7 1 1 A 23 23 PHE C C 23 178.486 178.210 0.276 1
1 302 . 7 1 1 A 23 23 PHE CA C 23 63.450 60.652 2.798 1
1 303 . 7 1 1 A 23 23 PHE CB C 23 38.740 38.420 0.320 1
1 309 . 7 1 1 A 23 23 PHE N N 23 118.753 118.344 0.409 1
1 310 . 7 1 1 A 24 24 ILE H H 24 8.077 8.580 -0.503 1
1 311 . 7 1 1 A 24 24 ILE HA H 24 3.503 3.710 -0.207 1
1 321 . 7 1 1 A 24 24 ILE C C 24 180.431 178.071 2.360 1
1 322 . 7 1 1 A 24 24 ILE CA C 24 64.997 65.635 -0.638 1
1 323 . 7 1 1 A 24 24 ILE CB C 24 38.110 37.822 0.288 1
1 327 . 7 1 1 A 24 24 ILE N N 24 120.410 119.767 0.643 1
1 328 . 7 1 1 A 25 25 ASN H H 25 8.971 8.455 0.516 1
1 329 . 7 1 1 A 25 25 ASN HA H 25 4.453 4.350 0.103 1
1 334 . 7 1 1 A 25 25 ASN C C 25 176.784 177.493 -0.709 1
1 335 . 7 1 1 A 25 25 ASN CA C 25 55.321 56.861 -1.540 1
1 336 . 7 1 1 A 25 25 ASN CB C 25 37.880 39.682 -1.802 1
1 337 . 7 1 1 A 25 25 ASN N N 25 120.191 118.799 1.392 1
1 339 . 7 1 1 A 26 26 ASN H H 26 7.315 8.003 -0.688 1
1 340 . 7 1 1 A 26 26 ASN HA H 26 4.601 4.784 -0.183 1
1 345 . 7 1 1 A 26 26 ASN C C 26 173.732 175.766 -2.034 1
1 346 . 7 1 1 A 26 26 ASN CA C 26 54.840 53.610 1.230 1
1 347 . 7 1 1 A 26 26 ASN CB C 26 40.890 38.576 2.314 1
1 348 . 7 1 1 A 26 26 ASN N N 26 116.500 114.275 2.225 1
1 350 . 7 1 1 A 27 27 GLY H H 27 7.880 7.937 -0.057 1
1 351 . 7 1 1 A 27 27 GLY HA2 H 27 4.305 4.046 0.259 1
1 352 . 7 1 1 A 27 27 GLY HA3 H 27 3.570 4.127 -0.557 1
1 353 . 7 1 1 A 27 27 GLY CA C 27 45.308 46.098 -0.790 1
1 354 . 7 1 1 A 27 27 GLY N N 27 104.918 107.268 -2.350 1
1 355 . 7 1 1 A 28 28 MET H H 28 7.948 8.295 -0.347 1
1 356 . 7 1 1 A 28 28 MET HA H 28 4.190 4.868 -0.678 1
1 364 . 7 1 1 A 28 28 MET C C 28 174.147 174.926 -0.779 1
1 365 . 7 1 1 A 28 28 MET CA C 28 54.335 55.477 -1.142 1
1 366 . 7 1 1 A 28 28 MET CB C 28 31.978 34.482 -2.504 1
1 369 . 7 1 1 A 28 28 MET N N 28 120.940 119.296 1.644 1
1 370 . 7 1 1 A 29 29 HIS H H 29 7.994 9.345 -1.351 1
1 371 . 7 1 1 A 29 29 HIS HA H 29 4.592 4.952 -0.360 1
1 375 . 7 1 1 A 29 29 HIS C C 29 177.664 175.267 2.397 1
1 376 . 7 1 1 A 29 29 HIS CA C 29 56.178 54.411 1.767 1
1 377 . 7 1 1 A 29 29 HIS CB C 29 30.190 29.890 0.300 1
1 378 . 7 1 1 A 29 29 HIS N N 29 121.779 119.565 2.214 1
1 379 . 7 1 1 A 30 30 CYS H H 30 7.867 8.646 -0.779 1
1 380 . 7 1 1 A 30 30 CYS HA H 30 4.555 4.412 0.143 1
1 383 . 7 1 1 A 30 30 CYS C C 30 174.265 174.946 -0.681 1
1 384 . 7 1 1 A 30 30 CYS CA C 30 57.398 60.038 -2.640 1
1 385 . 7 1 1 A 30 30 CYS CB C 30 28.234 27.921 0.313 1
1 386 . 7 1 1 A 30 30 CYS N N 30 116.200 124.114 -7.914 1
1 387 . 7 1 1 A 31 31 LEU H H 31 7.845 7.522 0.323 1
1 388 . 7 1 1 A 31 31 LEU HA H 31 4.045 4.380 -0.335 1
1 398 . 7 1 1 A 31 31 LEU C C 31 177.285 177.446 -0.161 1
1 399 . 7 1 1 A 31 31 LEU CA C 31 56.415 54.926 1.489 1
1 400 . 7 1 1 A 31 31 LEU CB C 31 41.172 40.053 1.119 1
1 404 . 7 1 1 A 31 31 LEU N N 31 122.518 120.333 2.185 1
1 405 . 7 1 1 A 32 32 GLY H H 32 8.292 8.755 -0.463 1
1 406 . 7 1 1 A 32 32 GLY HA2 H 32 3.852 3.852 0.000 1
1 407 . 7 1 1 A 32 32 GLY HA3 H 32 3.852 3.856 -0.004 1
1 408 . 7 1 1 A 32 32 GLY C C 32 173.868 174.300 -0.432 1
1 409 . 7 1 1 A 32 32 GLY CA C 32 45.182 46.190 -1.008 1
1 410 . 7 1 1 A 32 32 GLY N N 32 108.193 110.028 -1.835 1
1 411 . 7 1 1 A 33 33 CYS H H 33 7.747 7.936 -0.189 1
1 412 . 7 1 1 A 33 33 CYS HA H 33 4.826 4.558 0.268 1
1 415 . 7 1 1 A 33 33 CYS CA C 33 56.005 57.155 -1.150 1
1 416 . 7 1 1 A 33 33 CYS CB C 33 27.330 28.272 -0.942 1
1 417 . 7 1 1 A 33 33 CYS N N 33 120.574 118.988 1.586 1
1 418 . 7 1 1 A 34 34 PRO HA H 34 4.179 4.320 -0.141 1
1 425 . 7 1 1 A 34 34 PRO C C 34 178.582 178.539 0.043 1
1 426 . 7 1 1 A 34 34 PRO CA C 34 65.610 64.938 0.672 1
1 427 . 7 1 1 A 34 34 PRO CB C 34 32.071 32.063 0.008 1
1 430 . 7 1 1 A 35 35 SER H H 35 8.315 8.367 -0.052 1
1 431 . 7 1 1 A 35 35 SER HA H 35 4.209 4.148 0.061 1
1 434 . 7 1 1 A 35 35 SER C C 35 177.910 175.835 2.075 1
1 435 . 7 1 1 A 35 35 SER CA C 35 60.704 61.541 -0.837 1
1 436 . 7 1 1 A 35 35 SER CB C 35 62.590 62.665 -0.075 1
1 437 . 7 1 1 A 35 35 SER N N 35 112.899 114.193 -1.294 1
1 438 . 7 1 1 A 36 36 SER H H 36 7.903 8.020 -0.117 1
1 439 . 7 1 1 A 36 36 SER HA H 36 4.432 4.395 0.037 1
1 442 . 7 1 1 A 36 36 SER C C 36 175.084 175.060 0.024 1
1 443 . 7 1 1 A 36 36 SER CA C 36 60.336 58.992 1.344 1
1 444 . 7 1 1 A 36 36 SER CB C 36 63.920 63.710 0.210 1
1 445 . 7 1 1 A 36 36 SER N N 36 117.747 117.038 0.709 1
1 446 . 7 1 1 A 37 37 MET H H 37 7.646 7.342 0.304 1
1 447 . 7 1 1 A 37 37 MET HA H 37 4.114 4.381 -0.267 1
1 455 . 7 1 1 A 37 37 MET C C 37 175.617 178.059 -2.442 1
1 456 . 7 1 1 A 37 37 MET CA C 37 56.922 57.385 -0.463 1
1 457 . 7 1 1 A 37 37 MET CB C 37 32.891 33.307 -0.416 1
1 460 . 7 1 1 A 37 37 MET N N 37 117.790 119.651 -1.861 1
1 461 . 7 1 1 A 38 38 GLY H H 38 7.742 7.956 -0.214 1
1 462 . 7 1 1 A 38 38 GLY HA2 H 38 4.156 3.925 0.231 1
1 463 . 7 1 1 A 38 38 GLY HA3 H 38 3.623 3.929 -0.306 1
1 464 . 7 1 1 A 38 38 GLY C C 38 174.147 174.396 -0.249 1
1 465 . 7 1 1 A 38 38 GLY CA C 38 45.260 45.850 -0.590 1
1 466 . 7 1 1 A 38 38 GLY N N 38 104.897 107.081 -2.184 1
1 467 . 7 1 1 A 39 39 GLU H H 39 7.288 7.267 0.021 1
1 468 . 7 1 1 A 39 39 GLU HA H 39 4.539 4.548 -0.009 1
1 473 . 7 1 1 A 39 39 GLU C C 39 173.845 176.347 -2.502 1
1 474 . 7 1 1 A 39 39 GLU CA C 39 54.885 55.515 -0.630 1
1 475 . 7 1 1 A 39 39 GLU CB C 39 31.980 30.653 1.327 1
1 477 . 7 1 1 A 39 39 GLU N N 39 119.469 120.769 -1.300 1
1 478 . 7 1 1 A 40 40 SER H H 40 9.174 8.887 0.287 1
1 479 . 7 1 1 A 40 40 SER HA H 40 4.847 4.658 0.189 1
1 482 . 7 1 1 A 40 40 SER C C 40 175.082 175.883 -0.801 1
1 483 . 7 1 1 A 40 40 SER CA C 40 56.757 58.629 -1.872 1
1 484 . 7 1 1 A 40 40 SER CB C 40 65.397 63.954 1.443 1
1 485 . 7 1 1 A 40 40 SER N N 40 115.819 117.688 -1.869 1
1 486 . 7 1 1 A 41 41 ILE H H 41 8.739 9.011 -0.272 1
1 487 . 7 1 1 A 41 41 ILE HA H 41 3.512 3.773 -0.261 1
1 497 . 7 1 1 A 41 41 ILE C C 41 178.832 177.791 1.041 1
1 498 . 7 1 1 A 41 41 ILE CA C 41 67.190 65.811 1.379 1
1 499 . 7 1 1 A 41 41 ILE CB C 41 38.460 38.065 0.395 1
1 503 . 7 1 1 A 41 41 ILE N N 41 121.236 124.672 -3.436 1
1 504 . 7 1 1 A 42 42 GLU H H 42 8.932 8.702 0.230 1
1 505 . 7 1 1 A 42 42 GLU HA H 42 3.826 4.040 -0.214 1
1 510 . 7 1 1 A 42 42 GLU C C 42 178.134 178.575 -0.441 1
1 511 . 7 1 1 A 42 42 GLU CA C 42 59.860 58.901 0.959 1
1 512 . 7 1 1 A 42 42 GLU CB C 42 29.286 28.702 0.584 1
1 514 . 7 1 1 A 42 42 GLU N N 42 117.512 120.158 -2.646 1
1 515 . 7 1 1 A 43 43 ASP H H 43 8.090 8.266 -0.176 1
1 516 . 7 1 1 A 43 43 ASP HA H 43 4.428 4.371 0.057 1
1 519 . 7 1 1 A 43 43 ASP C C 43 179.021 178.015 1.006 1
1 520 . 7 1 1 A 43 43 ASP CA C 43 57.460 57.456 0.004 1
1 521 . 7 1 1 A 43 43 ASP CB C 43 39.485 41.018 -1.533 1
1 522 . 7 1 1 A 43 43 ASP N N 43 122.750 120.989 1.761 1
1 523 . 7 1 1 A 44 44 ALA H H 44 8.807 8.261 0.546 1
1 524 . 7 1 1 A 44 44 ALA HA H 44 4.242 4.041 0.201 1
1 528 . 7 1 1 A 44 44 ALA C C 44 181.423 180.110 1.313 1
1 529 . 7 1 1 A 44 44 ALA CA C 44 55.260 55.157 0.103 1
1 530 . 7 1 1 A 44 44 ALA CB C 44 19.775 18.233 1.542 1
1 531 . 7 1 1 A 44 44 ALA N N 44 123.434 120.497 2.937 1
1 532 . 7 1 1 A 45 45 CYS H H 45 8.663 8.375 0.288 1
1 533 . 7 1 1 A 45 45 CYS HA H 45 4.039 4.188 -0.149 1
1 536 . 7 1 1 A 45 45 CYS C C 45 176.954 177.029 -0.075 1
1 537 . 7 1 1 A 45 45 CYS CA C 45 65.300 63.199 2.101 1
1 538 . 7 1 1 A 45 45 CYS CB C 45 26.940 26.549 0.391 1
1 539 . 7 1 1 A 45 45 CYS N N 45 115.424 116.408 -0.984 1
1 540 . 7 1 1 A 46 46 ALA H H 46 7.844 7.741 0.103 1
1 541 . 7 1 1 A 46 46 ALA HA H 46 4.274 4.078 0.196 1
1 545 . 7 1 1 A 46 46 ALA C C 46 180.730 180.077 0.653 1
1 546 . 7 1 1 A 46 46 ALA CA C 46 55.127 54.927 0.200 1
1 547 . 7 1 1 A 46 46 ALA CB C 46 18.020 18.522 -0.502 1
1 548 . 7 1 1 A 46 46 ALA N N 46 122.366 122.510 -0.144 1
1 549 . 7 1 1 A 47 47 VAL H H 47 7.503 7.875 -0.372 1
1 550 . 7 1 1 A 47 47 VAL HA H 47 3.690 3.749 -0.059 1
1 558 . 7 1 1 A 47 47 VAL C C 47 177.652 176.865 0.787 1
1 559 . 7 1 1 A 47 47 VAL CA C 47 65.530 66.200 -0.670 1
1 560 . 7 1 1 A 47 47 VAL CB C 47 32.140 31.831 0.309 1
1 563 . 7 1 1 A 47 47 VAL N N 47 116.850 118.625 -1.775 1
1 564 . 7 1 1 A 48 48 HIS H H 48 7.496 7.926 -0.430 1
1 565 . 7 1 1 A 48 48 HIS HA H 48 4.629 4.704 -0.075 1
1 569 . 7 1 1 A 48 48 HIS C C 48 174.865 175.590 -0.725 1
1 570 . 7 1 1 A 48 48 HIS CA C 48 56.985 56.301 0.684 1
1 571 . 7 1 1 A 48 48 HIS CB C 48 31.033 30.087 0.946 1
1 573 . 7 1 1 A 48 48 HIS N N 48 114.271 119.164 -4.893 1
1 574 . 7 1 1 A 49 49 GLY H H 49 7.846 7.783 0.063 1
1 575 . 7 1 1 A 49 49 GLY HA2 H 49 4.002 3.825 0.177 1
1 576 . 7 1 1 A 49 49 GLY HA3 H 49 4.002 3.866 0.136 1
1 577 . 7 1 1 A 49 49 GLY C C 49 174.536 174.722 -0.186 1
1 578 . 7 1 1 A 49 49 GLY CA C 49 47.189 46.448 0.741 1
1 579 . 7 1 1 A 49 49 GLY N N 49 110.669 108.340 2.329 1
1 580 . 7 1 1 A 50 50 ILE H H 50 8.126 8.538 -0.412 1
1 581 . 7 1 1 A 50 50 ILE HA H 50 4.295 4.172 0.123 1
1 591 . 7 1 1 A 50 50 ILE C C 50 175.038 175.053 -0.015 1
1 592 . 7 1 1 A 50 50 ILE CA C 50 59.759 60.694 -0.935 1
1 593 . 7 1 1 A 50 50 ILE CB C 50 41.222 38.673 2.549 1
1 597 . 7 1 1 A 50 50 ILE N N 50 119.905 121.656 -1.751 1
1 598 . 7 1 1 A 51 51 ASP H H 51 8.497 8.995 -0.498 1
1 599 . 7 1 1 A 51 51 ASP HA H 51 4.523 4.691 -0.168 1
1 602 . 7 1 1 A 51 51 ASP C C 51 175.978 176.593 -0.615 1
1 603 . 7 1 1 A 51 51 ASP CA C 51 54.100 54.426 -0.326 1
1 604 . 7 1 1 A 51 51 ASP CB C 51 40.990 40.182 0.808 1
1 605 . 7 1 1 A 51 51 ASP N N 51 124.951 125.814 -0.863 1
1 606 . 7 1 1 A 52 52 ALA H H 52 8.791 8.935 -0.144 1
1 607 . 7 1 1 A 52 52 ALA HA H 52 4.329 4.086 0.243 1
1 611 . 7 1 1 A 52 52 ALA CA C 52 55.070 55.361 -0.291 1
1 612 . 7 1 1 A 52 52 ALA CB C 52 19.480 18.209 1.271 1
1 613 . 7 1 1 A 52 52 ALA N N 52 131.766 128.057 3.709 1
1 614 . 7 1 1 A 53 53 ASP H H 53 8.082 8.239 -0.157 1
1 615 . 7 1 1 A 53 53 ASP HA H 53 4.321 4.333 -0.012 1
1 618 . 7 1 1 A 53 53 ASP CA C 53 57.500 57.682 -0.182 1
1 619 . 7 1 1 A 53 53 ASP CB C 53 39.940 41.858 -1.918 1
1 620 . 7 1 1 A 53 53 ASP N N 53 116.960 118.569 -1.609 1
1 621 . 7 1 1 A 54 54 LYS H H 54 7.762 7.960 -0.198 1
1 622 . 7 1 1 A 54 54 LYS HA H 54 3.958 4.123 -0.165 1
1 631 . 7 1 1 A 54 54 LYS C C 54 177.748 179.161 -1.413 1
1 632 . 7 1 1 A 54 54 LYS CA C 54 59.355 59.123 0.232 1
1 633 . 7 1 1 A 54 54 LYS CB C 54 32.920 32.502 0.418 1
1 637 . 7 1 1 A 54 54 LYS N N 54 123.420 118.658 4.762 1
1 638 . 7 1 1 A 55 55 LEU H H 55 7.337 7.897 -0.560 1
1 639 . 7 1 1 A 55 55 LEU HA H 55 3.822 3.953 -0.131 1
1 649 . 7 1 1 A 55 55 LEU C C 55 177.966 178.289 -0.323 1
1 650 . 7 1 1 A 55 55 LEU CA C 55 58.258 58.387 -0.129 1
1 651 . 7 1 1 A 55 55 LEU CB C 55 41.908 41.870 0.038 1
1 655 . 7 1 1 A 55 55 LEU N N 55 119.522 121.611 -2.089 1
1 656 . 7 1 1 A 56 56 VAL H H 56 8.503 8.271 0.232 1
1 657 . 7 1 1 A 56 56 VAL HA H 56 3.378 3.553 -0.175 1
1 665 . 7 1 1 A 56 56 VAL C C 56 177.576 178.102 -0.526 1
1 666 . 7 1 1 A 56 56 VAL CA C 56 67.460 66.850 0.610 1
1 667 . 7 1 1 A 56 56 VAL CB C 56 31.560 31.471 0.089 1
1 670 . 7 1 1 A 56 56 VAL N N 56 117.548 119.426 -1.878 1
1 671 . 7 1 1 A 57 57 LYS H H 57 8.003 7.957 0.046 1
1 672 . 7 1 1 A 57 57 LYS HA H 57 4.200 3.930 0.270 1
1 681 . 7 1 1 A 57 57 LYS C C 57 179.196 179.939 -0.743 1
1 682 . 7 1 1 A 57 57 LYS CA C 57 60.130 60.245 -0.115 1
1 683 . 7 1 1 A 57 57 LYS CB C 57 32.383 32.011 0.372 1
1 687 . 7 1 1 A 57 57 LYS N N 57 122.289 118.939 3.350 1
1 688 . 7 1 1 A 58 58 GLU H H 58 8.035 7.882 0.153 1
1 689 . 7 1 1 A 58 58 GLU HA H 58 4.010 4.032 -0.022 1
1 694 . 7 1 1 A 58 58 GLU CA C 58 59.975 58.946 1.029 1
1 695 . 7 1 1 A 58 58 GLU CB C 58 29.430 29.552 -0.122 1
1 697 . 7 1 1 A 58 58 GLU N N 58 119.482 120.608 -1.126 1
1 698 . 7 1 1 A 59 59 LEU H H 59 8.560 8.196 0.364 1
1 699 . 7 1 1 A 59 59 LEU HA H 59 3.998 3.893 0.105 1
1 709 . 7 1 1 A 59 59 LEU C C 59 178.239 179.165 -0.926 1
1 710 . 7 1 1 A 59 59 LEU CA C 59 58.200 57.824 0.376 1
1 711 . 7 1 1 A 59 59 LEU CB C 59 42.695 41.733 0.962 1
1 715 . 7 1 1 A 59 59 LEU N N 59 121.725 120.578 1.147 1
1 716 . 7 1 1 A 60 60 ASN H H 60 8.684 8.742 -0.058 1
1 717 . 7 1 1 A 60 60 ASN HA H 60 4.806 4.619 0.187 1
1 722 . 7 1 1 A 60 60 ASN C C 60 178.495 178.305 0.190 1
1 723 . 7 1 1 A 60 60 ASN CA C 60 57.895 56.715 1.180 1
1 724 . 7 1 1 A 60 60 ASN CB C 60 38.528 38.067 0.461 1
1 725 . 7 1 1 A 60 60 ASN N N 60 117.410 117.470 -0.060 1
1 727 . 7 1 1 A 61 61 GLU H H 61 8.602 8.554 0.048 1
1 728 . 7 1 1 A 61 61 GLU HA H 61 4.040 4.060 -0.020 1
1 733 . 7 1 1 A 61 61 GLU C C 61 178.325 178.727 -0.402 1
1 734 . 7 1 1 A 61 61 GLU CA C 61 59.814 59.298 0.516 1
1 735 . 7 1 1 A 61 61 GLU CB C 61 29.610 29.284 0.326 1
1 737 . 7 1 1 A 61 61 GLU N N 61 121.480 119.345 2.135 1
1 738 . 7 1 1 A 62 62 TYR H H 62 7.698 7.951 -0.253 1
1 739 . 7 1 1 A 62 62 TYR HA H 62 3.978 4.184 -0.206 1
1 746 . 7 1 1 A 62 62 TYR C C 62 177.947 177.381 0.566 1
1 747 . 7 1 1 A 62 62 TYR CA C 62 61.600 61.495 0.105 1
1 748 . 7 1 1 A 62 62 TYR CB C 62 37.513 38.248 -0.735 1
1 753 . 7 1 1 A 62 62 TYR N N 62 120.683 122.396 -1.713 1
1 754 . 7 1 1 A 63 63 PHE H H 63 7.982 8.216 -0.234 1
1 755 . 7 1 1 A 63 63 PHE HA H 63 3.932 4.120 -0.188 1
1 763 . 7 1 1 A 63 63 PHE CA C 63 63.262 62.058 1.204 1
1 764 . 7 1 1 A 63 63 PHE CB C 63 39.120 38.239 0.881 1
1 770 . 7 1 1 A 63 63 PHE N N 63 117.730 118.659 -0.929 1
1 771 . 7 1 1 A 64 64 GLU H H 64 8.554 8.385 0.169 1
1 772 . 7 1 1 A 64 64 GLU HA H 64 4.095 4.192 -0.097 1
1 777 . 7 1 1 A 64 64 GLU C C 64 178.921 179.457 -0.536 1
1 778 . 7 1 1 A 64 64 GLU CA C 64 59.322 59.850 -0.528 1
1 779 . 7 1 1 A 64 64 GLU CB C 64 29.670 29.160 0.510 1
1 781 . 7 1 1 A 64 64 GLU N N 64 121.392 120.194 1.198 1
1 782 . 7 1 1 A 65 65 LYS H H 65 7.850 7.412 0.438 1
1 783 . 7 1 1 A 65 65 LYS HA H 65 3.982 4.028 -0.046 1
1 792 . 7 1 1 A 65 65 LYS C C 65 178.374 179.692 -1.318 1
1 793 . 7 1 1 A 65 65 LYS CA C 65 58.638 59.336 -0.698 1
1 794 . 7 1 1 A 65 65 LYS CB C 65 32.110 31.979 0.131 1
1 798 . 7 1 1 A 65 65 LYS N N 65 118.746 119.886 -1.140 1
1 799 . 7 1 1 A 66 66 LYS H H 66 7.503 7.404 0.099 1
1 800 . 7 1 1 A 66 66 LYS HA H 66 3.880 3.814 0.066 1
1 809 . 7 1 1 A 66 66 LYS C C 66 177.925 179.366 -1.441 1
1 810 . 7 1 1 A 66 66 LYS CA C 66 58.590 59.984 -1.394 1
1 811 . 7 1 1 A 66 66 LYS CB C 66 32.560 31.951 0.609 1
1 815 . 7 1 1 A 66 66 LYS N N 66 119.241 119.681 -0.440 1
1 816 . 7 1 1 A 67 67 GLU H H 67 7.876 7.607 0.269 1
1 817 . 7 1 1 A 67 67 GLU HA H 67 4.097 4.106 -0.009 1
1 822 . 7 1 1 A 67 67 GLU C C 67 178.016 177.969 0.047 1
1 823 . 7 1 1 A 67 67 GLU CA C 67 58.280 58.922 -0.642 1
1 824 . 7 1 1 A 67 67 GLU CB C 67 29.802 29.540 0.262 1
1 826 . 7 1 1 A 67 67 GLU N N 67 119.096 120.041 -0.945 1
1 827 . 7 1 1 A 68 68 VAL H H 68 7.719 7.428 0.291 1
1 828 . 7 1 1 A 68 68 VAL HA H 68 3.797 3.830 -0.033 1
1 836 . 7 1 1 A 68 68 VAL C C 68 177.668 178.041 -0.373 1
1 837 . 7 1 1 A 68 68 VAL CA C 68 64.600 65.133 -0.533 1
1 838 . 7 1 1 A 68 68 VAL CB C 68 32.050 31.955 0.095 1
1 841 . 7 1 1 A 68 68 VAL N N 68 119.409 120.397 -0.988 1
1 842 . 7 1 1 A 69 69 LEU H H 69 7.911 8.610 -0.699 1
1 843 . 7 1 1 A 69 69 LEU HA H 69 4.127 3.803 0.324 1
1 853 . 7 1 1 A 69 69 LEU C C 69 178.438 178.995 -0.557 1
1 854 . 7 1 1 A 69 69 LEU CA C 69 56.461 58.343 -1.882 1
1 855 . 7 1 1 A 69 69 LEU CB C 69 42.153 41.557 0.596 1
1 859 . 7 1 1 A 69 69 LEU N N 69 122.199 119.443 2.756 1
1 14 . 8 1 1 A 2 2 LYS H H 2 8.383 8.320 0.063 1
1 15 . 8 1 1 A 2 2 LYS HA H 2 4.314 4.682 -0.368 1
1 24 . 8 1 1 A 2 2 LYS C C 2 175.001 175.419 -0.418 1
1 25 . 8 1 1 A 2 2 LYS CA C 2 56.188 56.282 -0.094 1
1 26 . 8 1 1 A 2 2 LYS CB C 2 33.481 33.036 0.445 1
1 30 . 8 1 1 A 2 2 LYS N N 2 124.593 121.247 3.346 1
1 31 . 8 1 1 A 3 3 ILE H H 3 9.639 8.336 1.303 1
1 32 . 8 1 1 A 3 3 ILE HA H 3 4.510 4.375 0.135 1
1 42 . 8 1 1 A 3 3 ILE C C 3 176.337 175.793 0.544 1
1 43 . 8 1 1 A 3 3 ILE CA C 3 58.009 62.017 -4.008 1
1 44 . 8 1 1 A 3 3 ILE CB C 3 36.405 37.940 -1.535 1
1 48 . 8 1 1 A 3 3 ILE N N 3 124.160 127.772 -3.612 1
1 49 . 8 1 1 A 4 4 THR H H 4 7.637 8.160 -0.523 1
1 50 . 8 1 1 A 4 4 THR HA H 4 4.795 4.932 -0.137 1
1 55 . 8 1 1 A 4 4 THR C C 4 175.818 175.372 0.446 1
1 56 . 8 1 1 A 4 4 THR CA C 4 59.550 59.198 0.352 1
1 57 . 8 1 1 A 4 4 THR CB C 4 71.365 71.761 -0.396 1
1 59 . 8 1 1 A 4 4 THR N N 4 115.631 116.476 -0.845 1
1 60 . 8 1 1 A 5 5 LYS H H 5 9.100 8.935 0.165 1
1 61 . 8 1 1 A 5 5 LYS HA H 5 3.910 4.093 -0.183 1
1 70 . 8 1 1 A 5 5 LYS C C 5 173.504 178.535 -5.031 1
1 71 . 8 1 1 A 5 5 LYS CA C 5 58.730 58.742 -0.012 1
1 72 . 8 1 1 A 5 5 LYS CB C 5 32.584 32.043 0.541 1
1 76 . 8 1 1 A 5 5 LYS N N 5 117.257 119.231 -1.974 1
1 77 . 8 1 1 A 6 6 ASP H H 6 8.542 7.756 0.786 1
1 78 . 8 1 1 A 6 6 ASP HA H 6 4.577 4.520 0.057 1
1 81 . 8 1 1 A 6 6 ASP C C 6 176.227 176.550 -0.323 1
1 82 . 8 1 1 A 6 6 ASP CA C 6 53.772 56.264 -2.492 1
1 83 . 8 1 1 A 6 6 ASP CB C 6 40.478 40.603 -0.125 1
1 84 . 8 1 1 A 6 6 ASP N N 6 115.528 120.053 -4.525 1
1 85 . 8 1 1 A 7 7 MET H H 7 7.545 7.666 -0.121 1
1 86 . 8 1 1 A 7 7 MET HA H 7 4.037 4.603 -0.566 1
1 94 . 8 1 1 A 7 7 MET C C 7 174.214 175.803 -1.589 1
1 95 . 8 1 1 A 7 7 MET CA C 7 57.578 55.522 2.056 1
1 96 . 8 1 1 A 7 7 MET CB C 7 33.295 33.595 -0.300 1
1 99 . 8 1 1 A 7 7 MET N N 7 119.925 118.898 1.027 1
1 100 . 8 1 1 A 8 8 ILE H H 8 8.721 8.626 0.095 1
1 101 . 8 1 1 A 8 8 ILE HA H 8 4.110 4.149 -0.039 1
1 111 . 8 1 1 A 8 8 ILE C C 8 178.731 176.146 2.585 1
1 112 . 8 1 1 A 8 8 ILE CA C 8 59.060 61.285 -2.225 1
1 113 . 8 1 1 A 8 8 ILE CB C 8 36.472 37.681 -1.209 1
1 117 . 8 1 1 A 8 8 ILE N N 8 121.085 122.940 -1.855 1
1 118 . 8 1 1 A 9 9 ILE H H 9 8.522 8.180 0.342 1
1 119 . 8 1 1 A 9 9 ILE HA H 9 3.238 3.538 -0.300 1
1 129 . 8 1 1 A 9 9 ILE C C 9 178.227 177.352 0.875 1
1 130 . 8 1 1 A 9 9 ILE CA C 9 67.720 64.889 2.831 1
1 131 . 8 1 1 A 9 9 ILE CB C 9 37.078 37.079 -0.001 1
1 135 . 8 1 1 A 9 9 ILE N N 9 128.907 124.746 4.161 1
1 136 . 8 1 1 A 10 10 ALA H H 10 8.578 8.558 0.020 1
1 137 . 8 1 1 A 10 10 ALA HA H 10 3.837 3.948 -0.111 1
1 141 . 8 1 1 A 10 10 ALA C C 10 179.790 179.510 0.280 1
1 142 . 8 1 1 A 10 10 ALA CA C 10 55.447 55.261 0.186 1
1 143 . 8 1 1 A 10 10 ALA CB C 10 19.000 17.897 1.103 1
1 144 . 8 1 1 A 10 10 ALA N N 10 118.416 121.619 -3.203 1
1 145 . 8 1 1 A 11 11 ASP H H 11 7.100 8.023 -0.923 1
1 146 . 8 1 1 A 11 11 ASP HA H 11 4.380 4.392 -0.012 1
1 149 . 8 1 1 A 11 11 ASP C C 11 178.903 178.662 0.241 1
1 150 . 8 1 1 A 11 11 ASP CA C 11 56.979 57.221 -0.242 1
1 151 . 8 1 1 A 11 11 ASP CB C 11 39.520 40.960 -1.440 1
1 152 . 8 1 1 A 11 11 ASP N N 11 116.224 118.506 -2.282 1
1 153 . 8 1 1 A 12 12 VAL H H 12 7.723 8.212 -0.489 1
1 154 . 8 1 1 A 12 12 VAL HA H 12 3.862 3.691 0.171 1
1 162 . 8 1 1 A 12 12 VAL C C 12 177.664 178.237 -0.573 1
1 163 . 8 1 1 A 12 12 VAL CA C 12 66.656 66.968 -0.312 1
1 164 . 8 1 1 A 12 12 VAL CB C 12 31.980 31.609 0.371 1
1 167 . 8 1 1 A 12 12 VAL N N 12 123.054 120.175 2.879 1
1 168 . 8 1 1 A 13 13 LEU H H 13 7.995 8.354 -0.359 1
1 169 . 8 1 1 A 13 13 LEU HA H 13 3.945 4.332 -0.387 1
1 179 . 8 1 1 A 13 13 LEU C C 13 175.458 179.580 -4.122 1
1 180 . 8 1 1 A 13 13 LEU CA C 13 57.259 57.273 -0.014 1
1 181 . 8 1 1 A 13 13 LEU CB C 13 42.140 41.120 1.020 1
1 185 . 8 1 1 A 13 13 LEU N N 13 118.291 119.636 -1.345 1
1 186 . 8 1 1 A 14 14 GLN H H 14 7.580 7.887 -0.307 1
1 187 . 8 1 1 A 14 14 GLN HA H 14 3.988 4.181 -0.193 1
1 194 . 8 1 1 A 14 14 GLN C C 14 178.311 179.214 -0.903 1
1 195 . 8 1 1 A 14 14 GLN CA C 14 57.659 58.740 -1.081 1
1 196 . 8 1 1 A 14 14 GLN CB C 14 28.700 27.803 0.897 1
1 198 . 8 1 1 A 14 14 GLN N N 14 114.621 119.828 -5.207 1
1 200 . 8 1 1 A 15 15 MET H H 15 7.675 7.720 -0.045 1
1 201 . 8 1 1 A 15 15 MET HA H 15 4.069 4.416 -0.347 1
1 209 . 8 1 1 A 15 15 MET C C 15 177.780 176.479 1.301 1
1 210 . 8 1 1 A 15 15 MET CA C 15 59.420 58.473 0.947 1
1 211 . 8 1 1 A 15 15 MET CB C 15 33.423 33.544 -0.121 1
1 214 . 8 1 1 A 15 15 MET N N 15 119.587 118.183 1.404 1
1 215 . 8 1 1 A 16 16 ASP H H 16 7.520 8.049 -0.529 1
1 216 . 8 1 1 A 16 16 ASP HA H 16 4.613 4.982 -0.369 1
1 219 . 8 1 1 A 16 16 ASP C C 16 175.706 175.848 -0.142 1
1 220 . 8 1 1 A 16 16 ASP CA C 16 55.090 54.016 1.074 1
1 221 . 8 1 1 A 16 16 ASP CB C 16 43.460 43.219 0.241 1
1 222 . 8 1 1 A 16 16 ASP N N 16 113.838 116.871 -3.033 1
1 223 . 8 1 1 A 17 17 ARG H H 17 9.352 8.928 0.424 1
1 224 . 8 1 1 A 17 17 ARG HA H 17 4.253 4.085 0.168 1
1 231 . 8 1 1 A 17 17 ARG C C 17 178.889 178.107 0.782 1
1 232 . 8 1 1 A 17 17 ARG CA C 17 58.566 59.176 -0.610 1
1 233 . 8 1 1 A 17 17 ARG CB C 17 29.280 29.796 -0.516 1
1 236 . 8 1 1 A 17 17 ARG N N 17 131.098 125.321 5.777 1
1 237 . 8 1 1 A 18 18 GLY H H 18 9.534 8.277 1.257 1
1 238 . 8 1 1 A 18 18 GLY HA2 H 18 3.857 3.945 -0.088 1
1 239 . 8 1 1 A 18 18 GLY HA3 H 18 3.946 4.023 -0.077 1
1 240 . 8 1 1 A 18 18 GLY C C 18 173.747 175.275 -1.528 1
1 241 . 8 1 1 A 18 18 GLY CA C 18 45.820 46.177 -0.357 1
1 242 . 8 1 1 A 18 18 GLY N N 18 111.218 108.234 2.984 1
1 243 . 8 1 1 A 19 19 THR H H 19 7.486 7.570 -0.084 1
1 244 . 8 1 1 A 19 19 THR HA H 19 3.293 3.601 -0.308 1
1 249 . 8 1 1 A 19 19 THR C C 19 177.067 176.360 0.707 1
1 250 . 8 1 1 A 19 19 THR CA C 19 63.090 63.736 -0.646 1
1 251 . 8 1 1 A 19 19 THR CB C 19 69.960 68.531 1.429 1
1 253 . 8 1 1 A 19 19 THR N N 19 106.889 111.488 -4.599 1
1 254 . 8 1 1 A 20 20 ALA H H 20 7.648 8.142 -0.494 1
1 255 . 8 1 1 A 20 20 ALA HA H 20 4.246 4.205 0.041 1
1 259 . 8 1 1 A 20 20 ALA CA C 20 57.780 57.140 0.640 1
1 260 . 8 1 1 A 20 20 ALA CB C 20 15.960 16.776 -0.816 1
1 261 . 8 1 1 A 20 20 ALA N N 20 125.258 125.698 -0.440 1
1 262 . 8 1 1 A 21 21 PRO HA H 21 4.169 4.270 -0.101 1
1 269 . 8 1 1 A 21 21 PRO C C 21 177.812 179.114 -1.302 1
1 270 . 8 1 1 A 21 21 PRO CA C 21 65.630 65.574 0.056 1
1 271 . 8 1 1 A 21 21 PRO CB C 21 31.220 30.714 0.506 1
1 274 . 8 1 1 A 22 22 ILE H H 22 7.120 7.260 -0.140 1
1 275 . 8 1 1 A 22 22 ILE HA H 22 3.622 3.699 -0.077 1
1 285 . 8 1 1 A 22 22 ILE C C 22 179.561 177.991 1.570 1
1 286 . 8 1 1 A 22 22 ILE CA C 22 64.640 64.023 0.617 1
1 287 . 8 1 1 A 22 22 ILE CB C 22 37.200 37.309 -0.109 1
1 291 . 8 1 1 A 22 22 ILE N N 22 117.089 116.837 0.252 1
1 292 . 8 1 1 A 23 23 PHE H H 23 7.411 7.669 -0.258 1
1 293 . 8 1 1 A 23 23 PHE HA H 23 3.919 4.235 -0.316 1
1 301 . 8 1 1 A 23 23 PHE C C 23 178.486 178.135 0.351 1
1 302 . 8 1 1 A 23 23 PHE CA C 23 63.450 60.806 2.644 1
1 303 . 8 1 1 A 23 23 PHE CB C 23 38.740 38.782 -0.042 1
1 309 . 8 1 1 A 23 23 PHE N N 23 118.753 118.311 0.442 1
1 310 . 8 1 1 A 24 24 ILE H H 24 8.077 8.369 -0.292 1
1 311 . 8 1 1 A 24 24 ILE HA H 24 3.503 3.565 -0.062 1
1 321 . 8 1 1 A 24 24 ILE C C 24 180.431 178.083 2.348 1
1 322 . 8 1 1 A 24 24 ILE CA C 24 64.997 65.597 -0.600 1
1 323 . 8 1 1 A 24 24 ILE CB C 24 38.110 37.941 0.169 1
1 327 . 8 1 1 A 24 24 ILE N N 24 120.410 119.776 0.634 1
1 328 . 8 1 1 A 25 25 ASN H H 25 8.971 8.468 0.503 1
1 329 . 8 1 1 A 25 25 ASN HA H 25 4.453 4.330 0.123 1
1 334 . 8 1 1 A 25 25 ASN C C 25 176.784 177.638 -0.854 1
1 335 . 8 1 1 A 25 25 ASN CA C 25 55.321 57.015 -1.694 1
1 336 . 8 1 1 A 25 25 ASN CB C 25 37.880 39.759 -1.879 1
1 337 . 8 1 1 A 25 25 ASN N N 25 120.191 119.105 1.086 1
1 339 . 8 1 1 A 26 26 ASN H H 26 7.315 7.733 -0.418 1
1 340 . 8 1 1 A 26 26 ASN HA H 26 4.601 4.708 -0.107 1
1 345 . 8 1 1 A 26 26 ASN C C 26 173.732 175.353 -1.621 1
1 346 . 8 1 1 A 26 26 ASN CA C 26 54.840 53.276 1.564 1
1 347 . 8 1 1 A 26 26 ASN CB C 26 40.890 38.598 2.292 1
1 348 . 8 1 1 A 26 26 ASN N N 26 116.500 114.364 2.136 1
1 350 . 8 1 1 A 27 27 GLY H H 27 7.880 7.654 0.226 1
1 351 . 8 1 1 A 27 27 GLY HA2 H 27 4.305 3.970 0.335 1
1 352 . 8 1 1 A 27 27 GLY HA3 H 27 3.570 4.009 -0.439 1
1 353 . 8 1 1 A 27 27 GLY CA C 27 45.308 44.846 0.462 1
1 354 . 8 1 1 A 27 27 GLY N N 27 104.918 105.658 -0.740 1
1 355 . 8 1 1 A 28 28 MET H H 28 7.948 7.777 0.171 1
1 356 . 8 1 1 A 28 28 MET HA H 28 4.190 4.288 -0.098 1
1 364 . 8 1 1 A 28 28 MET C C 28 174.147 174.563 -0.416 1
1 365 . 8 1 1 A 28 28 MET CA C 28 54.335 55.948 -1.613 1
1 366 . 8 1 1 A 28 28 MET CB C 28 31.978 32.919 -0.941 1
1 369 . 8 1 1 A 28 28 MET N N 28 120.940 120.463 0.477 1
1 370 . 8 1 1 A 29 29 HIS H H 29 7.994 8.425 -0.431 1
1 371 . 8 1 1 A 29 29 HIS HA H 29 4.592 5.157 -0.565 1
1 375 . 8 1 1 A 29 29 HIS C C 29 177.664 173.963 3.701 1
1 376 . 8 1 1 A 29 29 HIS CA C 29 56.178 54.595 1.583 1
1 377 . 8 1 1 A 29 29 HIS CB C 29 30.190 32.726 -2.536 1
1 378 . 8 1 1 A 29 29 HIS N N 29 121.779 118.442 3.337 1
1 379 . 8 1 1 A 30 30 CYS H H 30 7.867 8.742 -0.875 1
1 380 . 8 1 1 A 30 30 CYS HA H 30 4.555 4.960 -0.405 1
1 383 . 8 1 1 A 30 30 CYS C C 30 174.265 173.031 1.234 1
1 384 . 8 1 1 A 30 30 CYS CA C 30 57.398 58.036 -0.638 1
1 385 . 8 1 1 A 30 30 CYS CB C 30 28.234 31.577 -3.343 1
1 386 . 8 1 1 A 30 30 CYS N N 30 116.200 119.715 -3.515 1
1 387 . 8 1 1 A 31 31 LEU H H 31 7.845 8.611 -0.766 1
1 388 . 8 1 1 A 31 31 LEU HA H 31 4.045 4.421 -0.376 1
1 398 . 8 1 1 A 31 31 LEU C C 31 177.285 176.806 0.479 1
1 399 . 8 1 1 A 31 31 LEU CA C 31 56.415 54.608 1.807 1
1 400 . 8 1 1 A 31 31 LEU CB C 31 41.172 40.879 0.293 1
1 404 . 8 1 1 A 31 31 LEU N N 31 122.518 126.875 -4.357 1
1 405 . 8 1 1 A 32 32 GLY H H 32 8.292 8.404 -0.112 1
1 406 . 8 1 1 A 32 32 GLY HA2 H 32 3.852 3.909 -0.057 1
1 407 . 8 1 1 A 32 32 GLY HA3 H 32 3.852 3.917 -0.065 1
1 408 . 8 1 1 A 32 32 GLY C C 32 173.868 174.262 -0.394 1
1 409 . 8 1 1 A 32 32 GLY CA C 32 45.182 46.873 -1.691 1
1 410 . 8 1 1 A 32 32 GLY N N 32 108.193 111.902 -3.709 1
1 411 . 8 1 1 A 33 33 CYS H H 33 7.747 7.759 -0.012 1
1 412 . 8 1 1 A 33 33 CYS HA H 33 4.826 4.885 -0.059 1
1 415 . 8 1 1 A 33 33 CYS CA C 33 56.005 56.633 -0.628 1
1 416 . 8 1 1 A 33 33 CYS CB C 33 27.330 29.810 -2.480 1
1 417 . 8 1 1 A 33 33 CYS N N 33 120.574 118.075 2.499 1
1 418 . 8 1 1 A 34 34 PRO HA H 34 4.179 4.225 -0.046 1
1 425 . 8 1 1 A 34 34 PRO C C 34 178.582 178.401 0.181 1
1 426 . 8 1 1 A 34 34 PRO CA C 34 65.610 65.254 0.356 1
1 427 . 8 1 1 A 34 34 PRO CB C 34 32.071 31.880 0.191 1
1 430 . 8 1 1 A 35 35 SER H H 35 8.315 8.283 0.032 1
1 431 . 8 1 1 A 35 35 SER HA H 35 4.209 4.154 0.055 1
1 434 . 8 1 1 A 35 35 SER C C 35 177.910 175.558 2.352 1
1 435 . 8 1 1 A 35 35 SER CA C 35 60.704 61.699 -0.995 1
1 436 . 8 1 1 A 35 35 SER CB C 35 62.590 62.805 -0.215 1
1 437 . 8 1 1 A 35 35 SER N N 35 112.899 112.024 0.875 1
1 438 . 8 1 1 A 36 36 SER H H 36 7.903 7.372 0.531 1
1 439 . 8 1 1 A 36 36 SER HA H 36 4.432 4.634 -0.202 1
1 442 . 8 1 1 A 36 36 SER C C 36 175.084 174.552 0.532 1
1 443 . 8 1 1 A 36 36 SER CA C 36 60.336 58.527 1.809 1
1 444 . 8 1 1 A 36 36 SER CB C 36 63.920 64.185 -0.265 1
1 445 . 8 1 1 A 36 36 SER N N 36 117.747 112.924 4.823 1
1 446 . 8 1 1 A 37 37 MET H H 37 7.646 7.680 -0.034 1
1 447 . 8 1 1 A 37 37 MET HA H 37 4.114 4.319 -0.205 1
1 455 . 8 1 1 A 37 37 MET C C 37 175.617 178.213 -2.596 1
1 456 . 8 1 1 A 37 37 MET CA C 37 56.922 57.145 -0.223 1
1 457 . 8 1 1 A 37 37 MET CB C 37 32.891 33.466 -0.575 1
1 460 . 8 1 1 A 37 37 MET N N 37 117.790 119.353 -1.563 1
1 461 . 8 1 1 A 38 38 GLY H H 38 7.742 7.899 -0.157 1
1 462 . 8 1 1 A 38 38 GLY HA2 H 38 4.156 3.903 0.253 1
1 463 . 8 1 1 A 38 38 GLY HA3 H 38 3.623 3.911 -0.288 1
1 464 . 8 1 1 A 38 38 GLY C C 38 174.147 174.412 -0.265 1
1 465 . 8 1 1 A 38 38 GLY CA C 38 45.260 46.114 -0.854 1
1 466 . 8 1 1 A 38 38 GLY N N 38 104.897 107.648 -2.751 1
1 467 . 8 1 1 A 39 39 GLU H H 39 7.288 7.366 -0.078 1
1 468 . 8 1 1 A 39 39 GLU HA H 39 4.539 4.486 0.053 1
1 473 . 8 1 1 A 39 39 GLU C C 39 173.845 176.361 -2.516 1
1 474 . 8 1 1 A 39 39 GLU CA C 39 54.885 55.557 -0.672 1
1 475 . 8 1 1 A 39 39 GLU CB C 39 31.980 30.540 1.440 1
1 477 . 8 1 1 A 39 39 GLU N N 39 119.469 120.523 -1.054 1
1 478 . 8 1 1 A 40 40 SER H H 40 9.174 8.913 0.261 1
1 479 . 8 1 1 A 40 40 SER HA H 40 4.847 4.597 0.250 1
1 482 . 8 1 1 A 40 40 SER C C 40 175.082 175.823 -0.741 1
1 483 . 8 1 1 A 40 40 SER CA C 40 56.757 59.127 -2.370 1
1 484 . 8 1 1 A 40 40 SER CB C 40 65.397 63.842 1.555 1
1 485 . 8 1 1 A 40 40 SER N N 40 115.819 118.313 -2.494 1
1 486 . 8 1 1 A 41 41 ILE H H 41 8.739 9.010 -0.271 1
1 487 . 8 1 1 A 41 41 ILE HA H 41 3.512 3.785 -0.273 1
1 497 . 8 1 1 A 41 41 ILE C C 41 178.832 177.685 1.147 1
1 498 . 8 1 1 A 41 41 ILE CA C 41 67.190 65.604 1.586 1
1 499 . 8 1 1 A 41 41 ILE CB C 41 38.460 38.161 0.299 1
1 503 . 8 1 1 A 41 41 ILE N N 41 121.236 124.611 -3.375 1
1 504 . 8 1 1 A 42 42 GLU H H 42 8.932 8.750 0.182 1
1 505 . 8 1 1 A 42 42 GLU HA H 42 3.826 4.053 -0.227 1
1 510 . 8 1 1 A 42 42 GLU C C 42 178.134 178.454 -0.320 1
1 511 . 8 1 1 A 42 42 GLU CA C 42 59.860 59.201 0.659 1
1 512 . 8 1 1 A 42 42 GLU CB C 42 29.286 29.256 0.030 1
1 514 . 8 1 1 A 42 42 GLU N N 42 117.512 120.073 -2.561 1
1 515 . 8 1 1 A 43 43 ASP H H 43 8.090 8.227 -0.137 1
1 516 . 8 1 1 A 43 43 ASP HA H 43 4.428 4.350 0.078 1
1 519 . 8 1 1 A 43 43 ASP C C 43 179.021 178.246 0.775 1
1 520 . 8 1 1 A 43 43 ASP CA C 43 57.460 57.694 -0.234 1
1 521 . 8 1 1 A 43 43 ASP CB C 43 39.485 41.377 -1.892 1
1 522 . 8 1 1 A 43 43 ASP N N 43 122.750 120.549 2.201 1
1 523 . 8 1 1 A 44 44 ALA H H 44 8.807 8.389 0.418 1
1 524 . 8 1 1 A 44 44 ALA HA H 44 4.242 4.032 0.210 1
1 528 . 8 1 1 A 44 44 ALA C C 44 181.423 179.679 1.744 1
1 529 . 8 1 1 A 44 44 ALA CA C 44 55.260 55.196 0.064 1
1 530 . 8 1 1 A 44 44 ALA CB C 44 19.775 18.252 1.523 1
1 531 . 8 1 1 A 44 44 ALA N N 44 123.434 120.942 2.492 1
1 532 . 8 1 1 A 45 45 CYS H H 45 8.663 8.284 0.379 1
1 533 . 8 1 1 A 45 45 CYS HA H 45 4.039 4.156 -0.117 1
1 536 . 8 1 1 A 45 45 CYS C C 45 176.954 177.180 -0.226 1
1 537 . 8 1 1 A 45 45 CYS CA C 45 65.300 62.808 2.492 1
1 538 . 8 1 1 A 45 45 CYS CB C 45 26.940 26.450 0.490 1
1 539 . 8 1 1 A 45 45 CYS N N 45 115.424 116.208 -0.784 1
1 540 . 8 1 1 A 46 46 ALA H H 46 7.844 8.210 -0.366 1
1 541 . 8 1 1 A 46 46 ALA HA H 46 4.274 4.064 0.210 1
1 545 . 8 1 1 A 46 46 ALA C C 46 180.730 180.185 0.545 1
1 546 . 8 1 1 A 46 46 ALA CA C 46 55.127 55.293 -0.166 1
1 547 . 8 1 1 A 46 46 ALA CB C 46 18.020 18.183 -0.163 1
1 548 . 8 1 1 A 46 46 ALA N N 46 122.366 122.587 -0.221 1
1 549 . 8 1 1 A 47 47 VAL H H 47 7.503 8.197 -0.694 1
1 550 . 8 1 1 A 47 47 VAL HA H 47 3.690 3.625 0.065 1
1 558 . 8 1 1 A 47 47 VAL C C 47 177.652 177.420 0.232 1
1 559 . 8 1 1 A 47 47 VAL CA C 47 65.530 66.660 -1.130 1
1 560 . 8 1 1 A 47 47 VAL CB C 47 32.140 31.743 0.397 1
1 563 . 8 1 1 A 47 47 VAL N N 47 116.850 118.964 -2.114 1
1 564 . 8 1 1 A 48 48 HIS H H 48 7.496 7.868 -0.372 1
1 565 . 8 1 1 A 48 48 HIS HA H 48 4.629 4.614 0.015 1
1 569 . 8 1 1 A 48 48 HIS C C 48 174.865 175.598 -0.733 1
1 570 . 8 1 1 A 48 48 HIS CA C 48 56.985 57.175 -0.190 1
1 571 . 8 1 1 A 48 48 HIS CB C 48 31.033 30.353 0.680 1
1 573 . 8 1 1 A 48 48 HIS N N 48 114.271 119.275 -5.004 1
1 574 . 8 1 1 A 49 49 GLY H H 49 7.846 7.995 -0.149 1
1 575 . 8 1 1 A 49 49 GLY HA2 H 49 4.002 3.911 0.091 1
1 576 . 8 1 1 A 49 49 GLY HA3 H 49 4.002 3.913 0.089 1
1 577 . 8 1 1 A 49 49 GLY C C 49 174.536 174.951 -0.415 1
1 578 . 8 1 1 A 49 49 GLY CA C 49 47.189 46.655 0.534 1
1 579 . 8 1 1 A 49 49 GLY N N 49 110.669 108.543 2.126 1
1 580 . 8 1 1 A 50 50 ILE H H 50 8.126 8.684 -0.558 1
1 581 . 8 1 1 A 50 50 ILE HA H 50 4.295 4.334 -0.039 1
1 591 . 8 1 1 A 50 50 ILE C C 50 175.038 175.231 -0.193 1
1 592 . 8 1 1 A 50 50 ILE CA C 50 59.759 60.608 -0.849 1
1 593 . 8 1 1 A 50 50 ILE CB C 50 41.222 38.740 2.482 1
1 597 . 8 1 1 A 50 50 ILE N N 50 119.905 121.541 -1.636 1
1 598 . 8 1 1 A 51 51 ASP H H 51 8.497 8.535 -0.038 1
1 599 . 8 1 1 A 51 51 ASP HA H 51 4.523 4.731 -0.208 1
1 602 . 8 1 1 A 51 51 ASP C C 51 175.978 176.957 -0.979 1
1 603 . 8 1 1 A 51 51 ASP CA C 51 54.100 53.182 0.918 1
1 604 . 8 1 1 A 51 51 ASP CB C 51 40.990 40.507 0.483 1
1 605 . 8 1 1 A 51 51 ASP N N 51 124.951 126.045 -1.094 1
1 606 . 8 1 1 A 52 52 ALA H H 52 8.791 8.991 -0.200 1
1 607 . 8 1 1 A 52 52 ALA HA H 52 4.329 4.064 0.265 1
1 611 . 8 1 1 A 52 52 ALA CA C 52 55.070 54.767 0.303 1
1 612 . 8 1 1 A 52 52 ALA CB C 52 19.480 18.456 1.024 1
1 613 . 8 1 1 A 52 52 ALA N N 52 131.766 129.038 2.728 1
1 614 . 8 1 1 A 53 53 ASP H H 53 8.082 8.073 0.009 1
1 615 . 8 1 1 A 53 53 ASP HA H 53 4.321 4.332 -0.011 1
1 618 . 8 1 1 A 53 53 ASP CA C 53 57.500 57.973 -0.473 1
1 619 . 8 1 1 A 53 53 ASP CB C 53 39.940 42.037 -2.097 1
1 620 . 8 1 1 A 53 53 ASP N N 53 116.960 118.426 -1.466 1
1 621 . 8 1 1 A 54 54 LYS H H 54 7.762 7.828 -0.066 1
1 622 . 8 1 1 A 54 54 LYS HA H 54 3.958 4.059 -0.101 1
1 631 . 8 1 1 A 54 54 LYS C C 54 177.748 178.757 -1.009 1
1 632 . 8 1 1 A 54 54 LYS CA C 54 59.355 59.339 0.016 1
1 633 . 8 1 1 A 54 54 LYS CB C 54 32.920 32.367 0.553 1
1 637 . 8 1 1 A 54 54 LYS N N 54 123.420 118.192 5.228 1
1 638 . 8 1 1 A 55 55 LEU H H 55 7.337 7.721 -0.384 1
1 639 . 8 1 1 A 55 55 LEU HA H 55 3.822 3.916 -0.094 1
1 649 . 8 1 1 A 55 55 LEU C C 55 177.966 178.518 -0.552 1
1 650 . 8 1 1 A 55 55 LEU CA C 55 58.258 58.383 -0.125 1
1 651 . 8 1 1 A 55 55 LEU CB C 55 41.908 41.744 0.164 1
1 655 . 8 1 1 A 55 55 LEU N N 55 119.522 121.846 -2.324 1
1 656 . 8 1 1 A 56 56 VAL H H 56 8.503 8.220 0.283 1
1 657 . 8 1 1 A 56 56 VAL HA H 56 3.378 3.522 -0.144 1
1 665 . 8 1 1 A 56 56 VAL C C 56 177.576 177.674 -0.098 1
1 666 . 8 1 1 A 56 56 VAL CA C 56 67.460 66.884 0.576 1
1 667 . 8 1 1 A 56 56 VAL CB C 56 31.560 31.233 0.327 1
1 670 . 8 1 1 A 56 56 VAL N N 56 117.548 119.233 -1.685 1
1 671 . 8 1 1 A 57 57 LYS H H 57 8.003 7.578 0.425 1
1 672 . 8 1 1 A 57 57 LYS HA H 57 4.200 3.884 0.316 1
1 681 . 8 1 1 A 57 57 LYS C C 57 179.196 179.907 -0.711 1
1 682 . 8 1 1 A 57 57 LYS CA C 57 60.130 60.358 -0.228 1
1 683 . 8 1 1 A 57 57 LYS CB C 57 32.383 32.067 0.316 1
1 687 . 8 1 1 A 57 57 LYS N N 57 122.289 118.621 3.668 1
1 688 . 8 1 1 A 58 58 GLU H H 58 8.035 8.133 -0.098 1
1 689 . 8 1 1 A 58 58 GLU HA H 58 4.010 4.020 -0.010 1
1 694 . 8 1 1 A 58 58 GLU CA C 58 59.975 58.991 0.984 1
1 695 . 8 1 1 A 58 58 GLU CB C 58 29.430 29.578 -0.148 1
1 697 . 8 1 1 A 58 58 GLU N N 58 119.482 120.822 -1.340 1
1 698 . 8 1 1 A 59 59 LEU H H 59 8.560 8.386 0.174 1
1 699 . 8 1 1 A 59 59 LEU HA H 59 3.998 3.894 0.104 1
1 709 . 8 1 1 A 59 59 LEU C C 59 178.239 179.287 -1.048 1
1 710 . 8 1 1 A 59 59 LEU CA C 59 58.200 57.951 0.249 1
1 711 . 8 1 1 A 59 59 LEU CB C 59 42.695 41.506 1.189 1
1 715 . 8 1 1 A 59 59 LEU N N 59 121.725 120.599 1.126 1
1 716 . 8 1 1 A 60 60 ASN H H 60 8.684 8.574 0.110 1
1 717 . 8 1 1 A 60 60 ASN HA H 60 4.806 4.552 0.254 1
1 722 . 8 1 1 A 60 60 ASN C C 60 178.495 178.055 0.440 1
1 723 . 8 1 1 A 60 60 ASN CA C 60 57.895 56.554 1.341 1
1 724 . 8 1 1 A 60 60 ASN CB C 60 38.528 38.268 0.260 1
1 725 . 8 1 1 A 60 60 ASN N N 60 117.410 117.620 -0.210 1
1 727 . 8 1 1 A 61 61 GLU H H 61 8.602 8.422 0.180 1
1 728 . 8 1 1 A 61 61 GLU HA H 61 4.040 4.080 -0.040 1
1 733 . 8 1 1 A 61 61 GLU C C 61 178.325 178.851 -0.526 1
1 734 . 8 1 1 A 61 61 GLU CA C 61 59.814 59.450 0.364 1
1 735 . 8 1 1 A 61 61 GLU CB C 61 29.610 29.413 0.197 1
1 737 . 8 1 1 A 61 61 GLU N N 61 121.480 119.520 1.960 1
1 738 . 8 1 1 A 62 62 TYR H H 62 7.698 7.866 -0.168 1
1 739 . 8 1 1 A 62 62 TYR HA H 62 3.978 4.181 -0.203 1
1 746 . 8 1 1 A 62 62 TYR C C 62 177.947 177.471 0.476 1
1 747 . 8 1 1 A 62 62 TYR CA C 62 61.600 61.450 0.150 1
1 748 . 8 1 1 A 62 62 TYR CB C 62 37.513 38.443 -0.930 1
1 753 . 8 1 1 A 62 62 TYR N N 62 120.683 121.260 -0.577 1
1 754 . 8 1 1 A 63 63 PHE H H 63 7.982 8.080 -0.098 1
1 755 . 8 1 1 A 63 63 PHE HA H 63 3.932 4.028 -0.096 1
1 763 . 8 1 1 A 63 63 PHE CA C 63 63.262 62.538 0.724 1
1 764 . 8 1 1 A 63 63 PHE CB C 63 39.120 38.743 0.377 1
1 770 . 8 1 1 A 63 63 PHE N N 63 117.730 117.889 -0.159 1
1 771 . 8 1 1 A 64 64 GLU H H 64 8.554 8.381 0.173 1
1 772 . 8 1 1 A 64 64 GLU HA H 64 4.095 3.866 0.229 1
1 777 . 8 1 1 A 64 64 GLU C C 64 178.921 179.337 -0.416 1
1 778 . 8 1 1 A 64 64 GLU CA C 64 59.322 59.965 -0.643 1
1 779 . 8 1 1 A 64 64 GLU CB C 64 29.670 29.279 0.391 1
1 781 . 8 1 1 A 64 64 GLU N N 64 121.392 119.530 1.862 1
1 782 . 8 1 1 A 65 65 LYS H H 65 7.850 7.866 -0.016 1
1 783 . 8 1 1 A 65 65 LYS HA H 65 3.982 4.022 -0.040 1
1 792 . 8 1 1 A 65 65 LYS C C 65 178.374 179.488 -1.114 1
1 793 . 8 1 1 A 65 65 LYS CA C 65 58.638 59.545 -0.907 1
1 794 . 8 1 1 A 65 65 LYS CB C 65 32.110 32.397 -0.287 1
1 798 . 8 1 1 A 65 65 LYS N N 65 118.746 119.632 -0.886 1
1 799 . 8 1 1 A 66 66 LYS H H 66 7.503 7.324 0.179 1
1 800 . 8 1 1 A 66 66 LYS HA H 66 3.880 3.998 -0.118 1
1 809 . 8 1 1 A 66 66 LYS C C 66 177.925 179.762 -1.837 1
1 810 . 8 1 1 A 66 66 LYS CA C 66 58.590 59.764 -1.174 1
1 811 . 8 1 1 A 66 66 LYS CB C 66 32.560 32.145 0.415 1
1 815 . 8 1 1 A 66 66 LYS N N 66 119.241 119.537 -0.296 1
1 816 . 8 1 1 A 67 67 GLU H H 67 7.876 8.471 -0.595 1
1 817 . 8 1 1 A 67 67 GLU HA H 67 4.097 4.020 0.077 1
1 822 . 8 1 1 A 67 67 GLU C C 67 178.016 179.290 -1.274 1
1 823 . 8 1 1 A 67 67 GLU CA C 67 58.280 58.942 -0.662 1
1 824 . 8 1 1 A 67 67 GLU CB C 67 29.802 29.267 0.535 1
1 826 . 8 1 1 A 67 67 GLU N N 67 119.096 120.413 -1.317 1
1 827 . 8 1 1 A 68 68 VAL H H 68 7.719 7.829 -0.110 1
1 828 . 8 1 1 A 68 68 VAL HA H 68 3.797 3.601 0.196 1
1 836 . 8 1 1 A 68 68 VAL C C 68 177.668 178.069 -0.401 1
1 837 . 8 1 1 A 68 68 VAL CA C 68 64.600 66.126 -1.526 1
1 838 . 8 1 1 A 68 68 VAL CB C 68 32.050 31.522 0.528 1
1 841 . 8 1 1 A 68 68 VAL N N 68 119.409 121.121 -1.712 1
1 842 . 8 1 1 A 69 69 LEU H H 69 7.911 7.947 -0.036 1
1 843 . 8 1 1 A 69 69 LEU HA H 69 4.127 3.855 0.272 1
1 853 . 8 1 1 A 69 69 LEU C C 69 178.438 178.434 0.004 1
1 854 . 8 1 1 A 69 69 LEU CA C 69 56.461 58.389 -1.928 1
1 855 . 8 1 1 A 69 69 LEU CB C 69 42.153 41.340 0.813 1
1 859 . 8 1 1 A 69 69 LEU N N 69 122.199 119.385 2.814 1
1 14 . 9 1 1 A 2 2 LYS H H 2 8.383 8.832 -0.449 1
1 15 . 9 1 1 A 2 2 LYS HA H 2 4.314 4.841 -0.527 1
1 24 . 9 1 1 A 2 2 LYS C C 2 175.001 175.763 -0.762 1
1 25 . 9 1 1 A 2 2 LYS CA C 2 56.188 54.468 1.720 1
1 26 . 9 1 1 A 2 2 LYS CB C 2 33.481 34.620 -1.139 1
1 30 . 9 1 1 A 2 2 LYS N N 2 124.593 124.100 0.493 1
1 31 . 9 1 1 A 3 3 ILE H H 3 9.639 8.807 0.832 1
1 32 . 9 1 1 A 3 3 ILE HA H 3 4.510 4.286 0.224 1
1 42 . 9 1 1 A 3 3 ILE C C 3 176.337 175.759 0.578 1
1 43 . 9 1 1 A 3 3 ILE CA C 3 58.009 61.767 -3.758 1
1 44 . 9 1 1 A 3 3 ILE CB C 3 36.405 37.577 -1.172 1
1 48 . 9 1 1 A 3 3 ILE N N 3 124.160 127.230 -3.070 1
1 49 . 9 1 1 A 4 4 THR H H 4 7.637 7.860 -0.223 1
1 50 . 9 1 1 A 4 4 THR HA H 4 4.795 4.908 -0.113 1
1 55 . 9 1 1 A 4 4 THR C C 4 175.818 175.597 0.221 1
1 56 . 9 1 1 A 4 4 THR CA C 4 59.550 59.037 0.513 1
1 57 . 9 1 1 A 4 4 THR CB C 4 71.365 71.787 -0.422 1
1 59 . 9 1 1 A 4 4 THR N N 4 115.631 117.368 -1.737 1
1 60 . 9 1 1 A 5 5 LYS H H 5 9.100 8.886 0.214 1
1 61 . 9 1 1 A 5 5 LYS HA H 5 3.910 4.100 -0.190 1
1 70 . 9 1 1 A 5 5 LYS C C 5 173.504 178.246 -4.742 1
1 71 . 9 1 1 A 5 5 LYS CA C 5 58.730 58.584 0.146 1
1 72 . 9 1 1 A 5 5 LYS CB C 5 32.584 32.030 0.554 1
1 76 . 9 1 1 A 5 5 LYS N N 5 117.257 119.617 -2.360 1
1 77 . 9 1 1 A 6 6 ASP H H 6 8.542 7.627 0.915 1
1 78 . 9 1 1 A 6 6 ASP HA H 6 4.577 4.541 0.036 1
1 81 . 9 1 1 A 6 6 ASP C C 6 176.227 176.537 -0.310 1
1 82 . 9 1 1 A 6 6 ASP CA C 6 53.772 56.262 -2.490 1
1 83 . 9 1 1 A 6 6 ASP CB C 6 40.478 40.799 -0.321 1
1 84 . 9 1 1 A 6 6 ASP N N 6 115.528 119.771 -4.243 1
1 85 . 9 1 1 A 7 7 MET H H 7 7.545 7.776 -0.231 1
1 86 . 9 1 1 A 7 7 MET HA H 7 4.037 4.612 -0.575 1
1 94 . 9 1 1 A 7 7 MET C C 7 174.214 175.881 -1.667 1
1 95 . 9 1 1 A 7 7 MET CA C 7 57.578 55.588 1.990 1
1 96 . 9 1 1 A 7 7 MET CB C 7 33.295 33.542 -0.247 1
1 99 . 9 1 1 A 7 7 MET N N 7 119.925 118.831 1.094 1
1 100 . 9 1 1 A 8 8 ILE H H 8 8.721 8.591 0.130 1
1 101 . 9 1 1 A 8 8 ILE HA H 8 4.110 4.074 0.036 1
1 111 . 9 1 1 A 8 8 ILE C C 8 178.731 176.527 2.204 1
1 112 . 9 1 1 A 8 8 ILE CA C 8 59.060 61.700 -2.640 1
1 113 . 9 1 1 A 8 8 ILE CB C 8 36.472 37.964 -1.492 1
1 117 . 9 1 1 A 8 8 ILE N N 8 121.085 122.984 -1.899 1
1 118 . 9 1 1 A 9 9 ILE H H 9 8.522 8.423 0.099 1
1 119 . 9 1 1 A 9 9 ILE HA H 9 3.238 3.543 -0.305 1
1 129 . 9 1 1 A 9 9 ILE C C 9 178.227 177.172 1.055 1
1 130 . 9 1 1 A 9 9 ILE CA C 9 67.720 64.954 2.766 1
1 131 . 9 1 1 A 9 9 ILE CB C 9 37.078 37.395 -0.317 1
1 135 . 9 1 1 A 9 9 ILE N N 9 128.907 124.771 4.136 1
1 136 . 9 1 1 A 10 10 ALA H H 10 8.578 8.045 0.533 1
1 137 . 9 1 1 A 10 10 ALA HA H 10 3.837 3.955 -0.118 1
1 141 . 9 1 1 A 10 10 ALA C C 10 179.790 178.924 0.866 1
1 142 . 9 1 1 A 10 10 ALA CA C 10 55.447 55.666 -0.219 1
1 143 . 9 1 1 A 10 10 ALA CB C 10 19.000 18.339 0.661 1
1 144 . 9 1 1 A 10 10 ALA N N 10 118.416 121.758 -3.342 1
1 145 . 9 1 1 A 11 11 ASP H H 11 7.100 8.147 -1.047 1
1 146 . 9 1 1 A 11 11 ASP HA H 11 4.380 4.352 0.028 1
1 149 . 9 1 1 A 11 11 ASP C C 11 178.903 178.834 0.069 1
1 150 . 9 1 1 A 11 11 ASP CA C 11 56.979 57.472 -0.493 1
1 151 . 9 1 1 A 11 11 ASP CB C 11 39.520 41.680 -2.160 1
1 152 . 9 1 1 A 11 11 ASP N N 11 116.224 118.653 -2.429 1
1 153 . 9 1 1 A 12 12 VAL H H 12 7.723 7.908 -0.185 1
1 154 . 9 1 1 A 12 12 VAL HA H 12 3.862 3.690 0.172 1
1 162 . 9 1 1 A 12 12 VAL C C 12 177.664 178.347 -0.683 1
1 163 . 9 1 1 A 12 12 VAL CA C 12 66.656 66.778 -0.122 1
1 164 . 9 1 1 A 12 12 VAL CB C 12 31.980 31.679 0.301 1
1 167 . 9 1 1 A 12 12 VAL N N 12 123.054 119.892 3.162 1
1 168 . 9 1 1 A 13 13 LEU H H 13 7.995 8.314 -0.319 1
1 169 . 9 1 1 A 13 13 LEU HA H 13 3.945 4.131 -0.186 1
1 179 . 9 1 1 A 13 13 LEU C C 13 175.458 179.372 -3.914 1
1 180 . 9 1 1 A 13 13 LEU CA C 13 57.259 57.973 -0.714 1
1 181 . 9 1 1 A 13 13 LEU CB C 13 42.140 40.952 1.188 1
1 185 . 9 1 1 A 13 13 LEU N N 13 118.291 119.897 -1.606 1
1 186 . 9 1 1 A 14 14 GLN H H 14 7.580 8.168 -0.588 1
1 187 . 9 1 1 A 14 14 GLN HA H 14 3.988 4.094 -0.106 1
1 194 . 9 1 1 A 14 14 GLN C C 14 178.311 178.370 -0.059 1
1 195 . 9 1 1 A 14 14 GLN CA C 14 57.659 59.016 -1.357 1
1 196 . 9 1 1 A 14 14 GLN CB C 14 28.700 28.225 0.475 1
1 198 . 9 1 1 A 14 14 GLN N N 14 114.621 117.756 -3.135 1
1 200 . 9 1 1 A 15 15 MET H H 15 7.675 7.824 -0.149 1
1 201 . 9 1 1 A 15 15 MET HA H 15 4.069 4.594 -0.525 1
1 209 . 9 1 1 A 15 15 MET C C 15 177.780 176.675 1.105 1
1 210 . 9 1 1 A 15 15 MET CA C 15 59.420 58.148 1.272 1
1 211 . 9 1 1 A 15 15 MET CB C 15 33.423 34.344 -0.921 1
1 214 . 9 1 1 A 15 15 MET N N 15 119.587 117.495 2.092 1
1 215 . 9 1 1 A 16 16 ASP H H 16 7.520 7.904 -0.384 1
1 216 . 9 1 1 A 16 16 ASP HA H 16 4.613 4.920 -0.307 1
1 219 . 9 1 1 A 16 16 ASP C C 16 175.706 175.768 -0.062 1
1 220 . 9 1 1 A 16 16 ASP CA C 16 55.090 54.028 1.062 1
1 221 . 9 1 1 A 16 16 ASP CB C 16 43.460 42.705 0.755 1
1 222 . 9 1 1 A 16 16 ASP N N 16 113.838 116.884 -3.046 1
1 223 . 9 1 1 A 17 17 ARG H H 17 9.352 8.891 0.461 1
1 224 . 9 1 1 A 17 17 ARG HA H 17 4.253 4.223 0.030 1
1 231 . 9 1 1 A 17 17 ARG C C 17 178.889 178.123 0.766 1
1 232 . 9 1 1 A 17 17 ARG CA C 17 58.566 58.774 -0.208 1
1 233 . 9 1 1 A 17 17 ARG CB C 17 29.280 29.990 -0.710 1
1 236 . 9 1 1 A 17 17 ARG N N 17 131.098 125.730 5.368 1
1 237 . 9 1 1 A 18 18 GLY H H 18 9.534 8.285 1.249 1
1 238 . 9 1 1 A 18 18 GLY HA2 H 18 3.857 3.902 -0.045 1
1 239 . 9 1 1 A 18 18 GLY HA3 H 18 3.946 3.962 -0.016 1
1 240 . 9 1 1 A 18 18 GLY C C 18 173.747 175.450 -1.703 1
1 241 . 9 1 1 A 18 18 GLY CA C 18 45.820 46.148 -0.328 1
1 242 . 9 1 1 A 18 18 GLY N N 18 111.218 108.159 3.059 1
1 243 . 9 1 1 A 19 19 THR H H 19 7.486 7.616 -0.130 1
1 244 . 9 1 1 A 19 19 THR HA H 19 3.293 3.673 -0.380 1
1 249 . 9 1 1 A 19 19 THR C C 19 177.067 176.923 0.144 1
1 250 . 9 1 1 A 19 19 THR CA C 19 63.090 64.102 -1.012 1
1 251 . 9 1 1 A 19 19 THR CB C 19 69.960 68.229 1.731 1
1 253 . 9 1 1 A 19 19 THR N N 19 106.889 112.452 -5.563 1
1 254 . 9 1 1 A 20 20 ALA H H 20 7.648 8.290 -0.642 1
1 255 . 9 1 1 A 20 20 ALA HA H 20 4.246 4.343 -0.097 1
1 259 . 9 1 1 A 20 20 ALA CA C 20 57.780 57.131 0.649 1
1 260 . 9 1 1 A 20 20 ALA CB C 20 15.960 17.076 -1.116 1
1 261 . 9 1 1 A 20 20 ALA N N 20 125.258 124.927 0.331 1
1 262 . 9 1 1 A 21 21 PRO HA H 21 4.169 4.354 -0.185 1
1 269 . 9 1 1 A 21 21 PRO C C 21 177.812 178.615 -0.803 1
1 270 . 9 1 1 A 21 21 PRO CA C 21 65.630 65.308 0.322 1
1 271 . 9 1 1 A 21 21 PRO CB C 21 31.220 31.175 0.045 1
1 274 . 9 1 1 A 22 22 ILE H H 22 7.120 7.108 0.012 1
1 275 . 9 1 1 A 22 22 ILE HA H 22 3.622 3.787 -0.165 1
1 285 . 9 1 1 A 22 22 ILE C C 22 179.561 177.982 1.579 1
1 286 . 9 1 1 A 22 22 ILE CA C 22 64.640 63.849 0.791 1
1 287 . 9 1 1 A 22 22 ILE CB C 22 37.200 36.941 0.259 1
1 291 . 9 1 1 A 22 22 ILE N N 22 117.089 116.884 0.205 1
1 292 . 9 1 1 A 23 23 PHE H H 23 7.411 7.905 -0.494 1
1 293 . 9 1 1 A 23 23 PHE HA H 23 3.919 4.306 -0.387 1
1 301 . 9 1 1 A 23 23 PHE C C 23 178.486 178.268 0.218 1
1 302 . 9 1 1 A 23 23 PHE CA C 23 63.450 60.872 2.578 1
1 303 . 9 1 1 A 23 23 PHE CB C 23 38.740 38.779 -0.039 1
1 309 . 9 1 1 A 23 23 PHE N N 23 118.753 118.984 -0.231 1
1 310 . 9 1 1 A 24 24 ILE H H 24 8.077 8.514 -0.437 1
1 311 . 9 1 1 A 24 24 ILE HA H 24 3.503 3.660 -0.157 1
1 321 . 9 1 1 A 24 24 ILE C C 24 180.431 177.997 2.434 1
1 322 . 9 1 1 A 24 24 ILE CA C 24 64.997 65.653 -0.656 1
1 323 . 9 1 1 A 24 24 ILE CB C 24 38.110 37.800 0.310 1
1 327 . 9 1 1 A 24 24 ILE N N 24 120.410 119.928 0.482 1
1 328 . 9 1 1 A 25 25 ASN H H 25 8.971 8.369 0.602 1
1 329 . 9 1 1 A 25 25 ASN HA H 25 4.453 4.446 0.007 1
1 334 . 9 1 1 A 25 25 ASN C C 25 176.784 176.933 -0.149 1
1 335 . 9 1 1 A 25 25 ASN CA C 25 55.321 56.860 -1.539 1
1 336 . 9 1 1 A 25 25 ASN CB C 25 37.880 39.753 -1.873 1
1 337 . 9 1 1 A 25 25 ASN N N 25 120.191 119.533 0.658 1
1 339 . 9 1 1 A 26 26 ASN H H 26 7.315 7.820 -0.505 1
1 340 . 9 1 1 A 26 26 ASN HA H 26 4.601 4.798 -0.197 1
1 345 . 9 1 1 A 26 26 ASN C C 26 173.732 175.948 -2.216 1
1 346 . 9 1 1 A 26 26 ASN CA C 26 54.840 53.197 1.643 1
1 347 . 9 1 1 A 26 26 ASN CB C 26 40.890 39.273 1.617 1
1 348 . 9 1 1 A 26 26 ASN N N 26 116.500 114.984 1.516 1
1 350 . 9 1 1 A 27 27 GLY H H 27 7.880 8.105 -0.225 1
1 351 . 9 1 1 A 27 27 GLY HA2 H 27 4.305 3.930 0.375 1
1 352 . 9 1 1 A 27 27 GLY HA3 H 27 3.570 4.042 -0.472 1
1 353 . 9 1 1 A 27 27 GLY CA C 27 45.308 45.982 -0.674 1
1 354 . 9 1 1 A 27 27 GLY N N 27 104.918 107.950 -3.032 1
1 355 . 9 1 1 A 28 28 MET H H 28 7.948 8.035 -0.087 1
1 356 . 9 1 1 A 28 28 MET HA H 28 4.190 4.544 -0.354 1
1 364 . 9 1 1 A 28 28 MET C C 28 174.147 175.887 -1.740 1
1 365 . 9 1 1 A 28 28 MET CA C 28 54.335 55.260 -0.925 1
1 366 . 9 1 1 A 28 28 MET CB C 28 31.978 33.970 -1.992 1
1 369 . 9 1 1 A 28 28 MET N N 28 120.940 119.526 1.414 1
1 370 . 9 1 1 A 29 29 HIS H H 29 7.994 8.337 -0.343 1
1 371 . 9 1 1 A 29 29 HIS HA H 29 4.592 4.634 -0.042 1
1 375 . 9 1 1 A 29 29 HIS C C 29 177.664 175.420 2.244 1
1 376 . 9 1 1 A 29 29 HIS CA C 29 56.178 56.894 -0.716 1
1 377 . 9 1 1 A 29 29 HIS CB C 29 30.190 30.116 0.074 1
1 378 . 9 1 1 A 29 29 HIS N N 29 121.779 119.177 2.602 1
1 379 . 9 1 1 A 30 30 CYS H H 30 7.867 8.682 -0.815 1
1 380 . 9 1 1 A 30 30 CYS HA H 30 4.555 4.351 0.204 1
1 383 . 9 1 1 A 30 30 CYS C C 30 174.265 174.557 -0.292 1
1 384 . 9 1 1 A 30 30 CYS CA C 30 57.398 59.200 -1.802 1
1 385 . 9 1 1 A 30 30 CYS CB C 30 28.234 28.351 -0.117 1
1 386 . 9 1 1 A 30 30 CYS N N 30 116.200 121.354 -5.154 1
1 387 . 9 1 1 A 31 31 LEU H H 31 7.845 8.405 -0.560 1
1 388 . 9 1 1 A 31 31 LEU HA H 31 4.045 4.365 -0.320 1
1 398 . 9 1 1 A 31 31 LEU C C 31 177.285 176.558 0.727 1
1 399 . 9 1 1 A 31 31 LEU CA C 31 56.415 55.964 0.451 1
1 400 . 9 1 1 A 31 31 LEU CB C 31 41.172 42.080 -0.908 1
1 404 . 9 1 1 A 31 31 LEU N N 31 122.518 126.674 -4.156 1
1 405 . 9 1 1 A 32 32 GLY H H 32 8.292 8.403 -0.111 1
1 406 . 9 1 1 A 32 32 GLY HA2 H 32 3.852 4.051 -0.199 1
1 407 . 9 1 1 A 32 32 GLY HA3 H 32 3.852 4.056 -0.204 1
1 408 . 9 1 1 A 32 32 GLY C C 32 173.868 173.864 0.004 1
1 409 . 9 1 1 A 32 32 GLY CA C 32 45.182 46.005 -0.823 1
1 410 . 9 1 1 A 32 32 GLY N N 32 108.193 113.141 -4.948 1
1 411 . 9 1 1 A 33 33 CYS H H 33 7.747 7.751 -0.004 1
1 412 . 9 1 1 A 33 33 CYS HA H 33 4.826 4.593 0.233 1
1 415 . 9 1 1 A 33 33 CYS CA C 33 56.005 57.313 -1.308 1
1 416 . 9 1 1 A 33 33 CYS CB C 33 27.330 27.935 -0.605 1
1 417 . 9 1 1 A 33 33 CYS N N 33 120.574 119.831 0.743 1
1 418 . 9 1 1 A 34 34 PRO HA H 34 4.179 4.264 -0.085 1
1 425 . 9 1 1 A 34 34 PRO C C 34 178.582 178.293 0.289 1
1 426 . 9 1 1 A 34 34 PRO CA C 34 65.610 64.735 0.875 1
1 427 . 9 1 1 A 34 34 PRO CB C 34 32.071 31.917 0.154 1
1 430 . 9 1 1 A 35 35 SER H H 35 8.315 8.395 -0.080 1
1 431 . 9 1 1 A 35 35 SER HA H 35 4.209 4.151 0.058 1
1 434 . 9 1 1 A 35 35 SER C C 35 177.910 176.356 1.554 1
1 435 . 9 1 1 A 35 35 SER CA C 35 60.704 61.561 -0.857 1
1 436 . 9 1 1 A 35 35 SER CB C 35 62.590 62.842 -0.252 1
1 437 . 9 1 1 A 35 35 SER N N 35 112.899 114.115 -1.216 1
1 438 . 9 1 1 A 36 36 SER H H 36 7.903 7.928 -0.025 1
1 439 . 9 1 1 A 36 36 SER HA H 36 4.432 4.406 0.026 1
1 442 . 9 1 1 A 36 36 SER C C 36 175.084 176.634 -1.550 1
1 443 . 9 1 1 A 36 36 SER CA C 36 60.336 61.026 -0.690 1
1 444 . 9 1 1 A 36 36 SER CB C 36 63.920 63.092 0.828 1
1 445 . 9 1 1 A 36 36 SER N N 36 117.747 115.733 2.014 1
1 446 . 9 1 1 A 37 37 MET H H 37 7.646 7.946 -0.300 1
1 447 . 9 1 1 A 37 37 MET HA H 37 4.114 4.214 -0.100 1
1 455 . 9 1 1 A 37 37 MET C C 37 175.617 178.457 -2.840 1
1 456 . 9 1 1 A 37 37 MET CA C 37 56.922 58.509 -1.587 1
1 457 . 9 1 1 A 37 37 MET CB C 37 32.891 32.492 0.399 1
1 460 . 9 1 1 A 37 37 MET N N 37 117.790 119.134 -1.344 1
1 461 . 9 1 1 A 38 38 GLY H H 38 7.742 7.844 -0.102 1
1 462 . 9 1 1 A 38 38 GLY HA2 H 38 4.156 3.965 0.191 1
1 463 . 9 1 1 A 38 38 GLY HA3 H 38 3.623 3.967 -0.344 1
1 464 . 9 1 1 A 38 38 GLY C C 38 174.147 174.334 -0.187 1
1 465 . 9 1 1 A 38 38 GLY CA C 38 45.260 45.514 -0.254 1
1 466 . 9 1 1 A 38 38 GLY N N 38 104.897 107.519 -2.622 1
1 467 . 9 1 1 A 39 39 GLU H H 39 7.288 7.197 0.091 1
1 468 . 9 1 1 A 39 39 GLU HA H 39 4.539 4.413 0.126 1
1 473 . 9 1 1 A 39 39 GLU C C 39 173.845 176.199 -2.354 1
1 474 . 9 1 1 A 39 39 GLU CA C 39 54.885 56.526 -1.641 1
1 475 . 9 1 1 A 39 39 GLU CB C 39 31.980 29.943 2.037 1
1 477 . 9 1 1 A 39 39 GLU N N 39 119.469 121.073 -1.604 1
1 478 . 9 1 1 A 40 40 SER H H 40 9.174 9.032 0.142 1
1 479 . 9 1 1 A 40 40 SER HA H 40 4.847 4.636 0.211 1
1 482 . 9 1 1 A 40 40 SER C C 40 175.082 175.831 -0.749 1
1 483 . 9 1 1 A 40 40 SER CA C 40 56.757 58.601 -1.844 1
1 484 . 9 1 1 A 40 40 SER CB C 40 65.397 64.059 1.338 1
1 485 . 9 1 1 A 40 40 SER N N 40 115.819 119.352 -3.533 1
1 486 . 9 1 1 A 41 41 ILE H H 41 8.739 8.943 -0.204 1
1 487 . 9 1 1 A 41 41 ILE HA H 41 3.512 3.833 -0.321 1
1 497 . 9 1 1 A 41 41 ILE C C 41 178.832 177.799 1.033 1
1 498 . 9 1 1 A 41 41 ILE CA C 41 67.190 65.627 1.563 1
1 499 . 9 1 1 A 41 41 ILE CB C 41 38.460 38.137 0.323 1
1 503 . 9 1 1 A 41 41 ILE N N 41 121.236 124.603 -3.367 1
1 504 . 9 1 1 A 42 42 GLU H H 42 8.932 8.679 0.253 1
1 505 . 9 1 1 A 42 42 GLU HA H 42 3.826 4.045 -0.219 1
1 510 . 9 1 1 A 42 42 GLU C C 42 178.134 178.550 -0.416 1
1 511 . 9 1 1 A 42 42 GLU CA C 42 59.860 59.259 0.601 1
1 512 . 9 1 1 A 42 42 GLU CB C 42 29.286 28.900 0.386 1
1 514 . 9 1 1 A 42 42 GLU N N 42 117.512 120.167 -2.655 1
1 515 . 9 1 1 A 43 43 ASP H H 43 8.090 8.342 -0.252 1
1 516 . 9 1 1 A 43 43 ASP HA H 43 4.428 4.354 0.074 1
1 519 . 9 1 1 A 43 43 ASP C C 43 179.021 178.159 0.862 1
1 520 . 9 1 1 A 43 43 ASP CA C 43 57.460 57.710 -0.250 1
1 521 . 9 1 1 A 43 43 ASP CB C 43 39.485 41.384 -1.899 1
1 522 . 9 1 1 A 43 43 ASP N N 43 122.750 120.776 1.974 1
1 523 . 9 1 1 A 44 44 ALA H H 44 8.807 8.468 0.339 1
1 524 . 9 1 1 A 44 44 ALA HA H 44 4.242 4.083 0.159 1
1 528 . 9 1 1 A 44 44 ALA C C 44 181.423 179.994 1.429 1
1 529 . 9 1 1 A 44 44 ALA CA C 44 55.260 55.184 0.076 1
1 530 . 9 1 1 A 44 44 ALA CB C 44 19.775 18.138 1.637 1
1 531 . 9 1 1 A 44 44 ALA N N 44 123.434 120.953 2.481 1
1 532 . 9 1 1 A 45 45 CYS H H 45 8.663 8.301 0.362 1
1 533 . 9 1 1 A 45 45 CYS HA H 45 4.039 4.165 -0.126 1
1 536 . 9 1 1 A 45 45 CYS C C 45 176.954 177.056 -0.102 1
1 537 . 9 1 1 A 45 45 CYS CA C 45 65.300 62.743 2.557 1
1 538 . 9 1 1 A 45 45 CYS CB C 45 26.940 26.256 0.684 1
1 539 . 9 1 1 A 45 45 CYS N N 45 115.424 116.358 -0.934 1
1 540 . 9 1 1 A 46 46 ALA H H 46 7.844 8.106 -0.262 1
1 541 . 9 1 1 A 46 46 ALA HA H 46 4.274 4.073 0.201 1
1 545 . 9 1 1 A 46 46 ALA C C 46 180.730 180.311 0.419 1
1 546 . 9 1 1 A 46 46 ALA CA C 46 55.127 55.125 0.002 1
1 547 . 9 1 1 A 46 46 ALA CB C 46 18.020 18.221 -0.201 1
1 548 . 9 1 1 A 46 46 ALA N N 46 122.366 122.787 -0.421 1
1 549 . 9 1 1 A 47 47 VAL H H 47 7.503 7.534 -0.031 1
1 550 . 9 1 1 A 47 47 VAL HA H 47 3.690 3.790 -0.100 1
1 558 . 9 1 1 A 47 47 VAL C C 47 177.652 176.810 0.842 1
1 559 . 9 1 1 A 47 47 VAL CA C 47 65.530 66.157 -0.627 1
1 560 . 9 1 1 A 47 47 VAL CB C 47 32.140 31.992 0.148 1
1 563 . 9 1 1 A 47 47 VAL N N 47 116.850 118.844 -1.994 1
1 564 . 9 1 1 A 48 48 HIS H H 48 7.496 7.716 -0.220 1
1 565 . 9 1 1 A 48 48 HIS HA H 48 4.629 4.728 -0.099 1
1 569 . 9 1 1 A 48 48 HIS C C 48 174.865 175.446 -0.581 1
1 570 . 9 1 1 A 48 48 HIS CA C 48 56.985 55.982 1.003 1
1 571 . 9 1 1 A 48 48 HIS CB C 48 31.033 30.124 0.909 1
1 573 . 9 1 1 A 48 48 HIS N N 48 114.271 119.507 -5.236 1
1 574 . 9 1 1 A 49 49 GLY H H 49 7.846 7.838 0.008 1
1 575 . 9 1 1 A 49 49 GLY HA2 H 49 4.002 3.781 0.221 1
1 576 . 9 1 1 A 49 49 GLY HA3 H 49 4.002 3.833 0.169 1
1 577 . 9 1 1 A 49 49 GLY C C 49 174.536 174.850 -0.314 1
1 578 . 9 1 1 A 49 49 GLY CA C 49 47.189 46.640 0.549 1
1 579 . 9 1 1 A 49 49 GLY N N 49 110.669 108.294 2.375 1
1 580 . 9 1 1 A 50 50 ILE H H 50 8.126 8.530 -0.404 1
1 581 . 9 1 1 A 50 50 ILE HA H 50 4.295 4.119 0.176 1
1 591 . 9 1 1 A 50 50 ILE C C 50 175.038 175.338 -0.300 1
1 592 . 9 1 1 A 50 50 ILE CA C 50 59.759 60.846 -1.087 1
1 593 . 9 1 1 A 50 50 ILE CB C 50 41.222 38.613 2.609 1
1 597 . 9 1 1 A 50 50 ILE N N 50 119.905 121.483 -1.578 1
1 598 . 9 1 1 A 51 51 ASP H H 51 8.497 8.564 -0.067 1
1 599 . 9 1 1 A 51 51 ASP HA H 51 4.523 4.768 -0.245 1
1 602 . 9 1 1 A 51 51 ASP C C 51 175.978 176.953 -0.975 1
1 603 . 9 1 1 A 51 51 ASP CA C 51 54.100 53.151 0.949 1
1 604 . 9 1 1 A 51 51 ASP CB C 51 40.990 40.609 0.381 1
1 605 . 9 1 1 A 51 51 ASP N N 51 124.951 125.875 -0.924 1
1 606 . 9 1 1 A 52 52 ALA H H 52 8.791 8.996 -0.205 1
1 607 . 9 1 1 A 52 52 ALA HA H 52 4.329 4.101 0.228 1
1 611 . 9 1 1 A 52 52 ALA CA C 52 55.070 54.748 0.322 1
1 612 . 9 1 1 A 52 52 ALA CB C 52 19.480 18.291 1.189 1
1 613 . 9 1 1 A 52 52 ALA N N 52 131.766 128.870 2.896 1
1 614 . 9 1 1 A 53 53 ASP H H 53 8.082 8.177 -0.095 1
1 615 . 9 1 1 A 53 53 ASP HA H 53 4.321 4.315 0.006 1
1 618 . 9 1 1 A 53 53 ASP CA C 53 57.500 58.111 -0.611 1
1 619 . 9 1 1 A 53 53 ASP CB C 53 39.940 42.089 -2.149 1
1 620 . 9 1 1 A 53 53 ASP N N 53 116.960 118.565 -1.605 1
1 621 . 9 1 1 A 54 54 LYS H H 54 7.762 7.973 -0.211 1
1 622 . 9 1 1 A 54 54 LYS HA H 54 3.958 4.096 -0.138 1
1 631 . 9 1 1 A 54 54 LYS C C 54 177.748 178.842 -1.094 1
1 632 . 9 1 1 A 54 54 LYS CA C 54 59.355 59.254 0.101 1
1 633 . 9 1 1 A 54 54 LYS CB C 54 32.920 32.370 0.550 1
1 637 . 9 1 1 A 54 54 LYS N N 54 123.420 118.323 5.097 1
1 638 . 9 1 1 A 55 55 LEU H H 55 7.337 7.889 -0.552 1
1 639 . 9 1 1 A 55 55 LEU HA H 55 3.822 3.942 -0.120 1
1 649 . 9 1 1 A 55 55 LEU C C 55 177.966 178.409 -0.443 1
1 650 . 9 1 1 A 55 55 LEU CA C 55 58.258 58.349 -0.091 1
1 651 . 9 1 1 A 55 55 LEU CB C 55 41.908 41.475 0.433 1
1 655 . 9 1 1 A 55 55 LEU N N 55 119.522 121.701 -2.179 1
1 656 . 9 1 1 A 56 56 VAL H H 56 8.503 8.395 0.108 1
1 657 . 9 1 1 A 56 56 VAL HA H 56 3.378 3.491 -0.113 1
1 665 . 9 1 1 A 56 56 VAL C C 56 177.576 177.657 -0.081 1
1 666 . 9 1 1 A 56 56 VAL CA C 56 67.460 66.827 0.633 1
1 667 . 9 1 1 A 56 56 VAL CB C 56 31.560 31.304 0.256 1
1 670 . 9 1 1 A 56 56 VAL N N 56 117.548 119.214 -1.666 1
1 671 . 9 1 1 A 57 57 LYS H H 57 8.003 7.560 0.443 1
1 672 . 9 1 1 A 57 57 LYS HA H 57 4.200 3.907 0.293 1
1 681 . 9 1 1 A 57 57 LYS C C 57 179.196 179.720 -0.524 1
1 682 . 9 1 1 A 57 57 LYS CA C 57 60.130 60.187 -0.057 1
1 683 . 9 1 1 A 57 57 LYS CB C 57 32.383 32.050 0.333 1
1 687 . 9 1 1 A 57 57 LYS N N 57 122.289 118.753 3.536 1
1 688 . 9 1 1 A 58 58 GLU H H 58 8.035 8.399 -0.364 1
1 689 . 9 1 1 A 58 58 GLU HA H 58 4.010 4.008 0.002 1
1 694 . 9 1 1 A 58 58 GLU CA C 58 59.975 59.019 0.956 1
1 695 . 9 1 1 A 58 58 GLU CB C 58 29.430 29.044 0.386 1
1 697 . 9 1 1 A 58 58 GLU N N 58 119.482 120.774 -1.292 1
1 698 . 9 1 1 A 59 59 LEU H H 59 8.560 8.273 0.287 1
1 699 . 9 1 1 A 59 59 LEU HA H 59 3.998 3.975 0.023 1
1 709 . 9 1 1 A 59 59 LEU C C 59 178.239 179.169 -0.930 1
1 710 . 9 1 1 A 59 59 LEU CA C 59 58.200 58.055 0.145 1
1 711 . 9 1 1 A 59 59 LEU CB C 59 42.695 41.559 1.136 1
1 715 . 9 1 1 A 59 59 LEU N N 59 121.725 120.470 1.255 1
1 716 . 9 1 1 A 60 60 ASN H H 60 8.684 8.791 -0.107 1
1 717 . 9 1 1 A 60 60 ASN HA H 60 4.806 4.580 0.226 1
1 722 . 9 1 1 A 60 60 ASN C C 60 178.495 178.505 -0.010 1
1 723 . 9 1 1 A 60 60 ASN CA C 60 57.895 56.710 1.185 1
1 724 . 9 1 1 A 60 60 ASN CB C 60 38.528 37.834 0.694 1
1 725 . 9 1 1 A 60 60 ASN N N 60 117.410 117.630 -0.220 1
1 727 . 9 1 1 A 61 61 GLU H H 61 8.602 8.527 0.075 1
1 728 . 9 1 1 A 61 61 GLU HA H 61 4.040 4.405 -0.365 1
1 733 . 9 1 1 A 61 61 GLU C C 61 178.325 178.634 -0.309 1
1 734 . 9 1 1 A 61 61 GLU CA C 61 59.814 59.298 0.516 1
1 735 . 9 1 1 A 61 61 GLU CB C 61 29.610 29.340 0.270 1
1 737 . 9 1 1 A 61 61 GLU N N 61 121.480 119.366 2.114 1
1 738 . 9 1 1 A 62 62 TYR H H 62 7.698 7.765 -0.067 1
1 739 . 9 1 1 A 62 62 TYR HA H 62 3.978 4.225 -0.247 1
1 746 . 9 1 1 A 62 62 TYR C C 62 177.947 177.773 0.174 1
1 747 . 9 1 1 A 62 62 TYR CA C 62 61.600 61.360 0.240 1
1 748 . 9 1 1 A 62 62 TYR CB C 62 37.513 38.094 -0.581 1
1 753 . 9 1 1 A 62 62 TYR N N 62 120.683 121.448 -0.765 1
1 754 . 9 1 1 A 63 63 PHE H H 63 7.982 8.071 -0.089 1
1 755 . 9 1 1 A 63 63 PHE HA H 63 3.932 4.000 -0.068 1
1 763 . 9 1 1 A 63 63 PHE CA C 63 63.262 62.514 0.748 1
1 764 . 9 1 1 A 63 63 PHE CB C 63 39.120 38.722 0.398 1
1 770 . 9 1 1 A 63 63 PHE N N 63 117.730 118.563 -0.833 1
1 771 . 9 1 1 A 64 64 GLU H H 64 8.554 8.275 0.279 1
1 772 . 9 1 1 A 64 64 GLU HA H 64 4.095 3.895 0.200 1
1 777 . 9 1 1 A 64 64 GLU C C 64 178.921 179.350 -0.429 1
1 778 . 9 1 1 A 64 64 GLU CA C 64 59.322 59.898 -0.576 1
1 779 . 9 1 1 A 64 64 GLU CB C 64 29.670 29.245 0.425 1
1 781 . 9 1 1 A 64 64 GLU N N 64 121.392 119.475 1.917 1
1 782 . 9 1 1 A 65 65 LYS H H 65 7.850 7.655 0.195 1
1 783 . 9 1 1 A 65 65 LYS HA H 65 3.982 4.041 -0.059 1
1 792 . 9 1 1 A 65 65 LYS C C 65 178.374 178.950 -0.576 1
1 793 . 9 1 1 A 65 65 LYS CA C 65 58.638 59.164 -0.526 1
1 794 . 9 1 1 A 65 65 LYS CB C 65 32.110 31.887 0.223 1
1 798 . 9 1 1 A 65 65 LYS N N 65 118.746 119.535 -0.789 1
1 799 . 9 1 1 A 66 66 LYS H H 66 7.503 7.361 0.142 1
1 800 . 9 1 1 A 66 66 LYS HA H 66 3.880 3.872 0.008 1
1 809 . 9 1 1 A 66 66 LYS C C 66 177.925 179.536 -1.611 1
1 810 . 9 1 1 A 66 66 LYS CA C 66 58.590 59.797 -1.207 1
1 811 . 9 1 1 A 66 66 LYS CB C 66 32.560 31.876 0.684 1
1 815 . 9 1 1 A 66 66 LYS N N 66 119.241 119.540 -0.299 1
1 816 . 9 1 1 A 67 67 GLU H H 67 7.876 7.678 0.198 1
1 817 . 9 1 1 A 67 67 GLU HA H 67 4.097 4.088 0.009 1
1 822 . 9 1 1 A 67 67 GLU C C 67 178.016 178.816 -0.800 1
1 823 . 9 1 1 A 67 67 GLU CA C 67 58.280 58.847 -0.567 1
1 824 . 9 1 1 A 67 67 GLU CB C 67 29.802 29.614 0.188 1
1 826 . 9 1 1 A 67 67 GLU N N 67 119.096 120.121 -1.025 1
1 827 . 9 1 1 A 68 68 VAL H H 68 7.719 7.649 0.070 1
1 828 . 9 1 1 A 68 68 VAL HA H 68 3.797 3.663 0.134 1
1 836 . 9 1 1 A 68 68 VAL C C 68 177.668 178.051 -0.383 1
1 837 . 9 1 1 A 68 68 VAL CA C 68 64.600 65.881 -1.281 1
1 838 . 9 1 1 A 68 68 VAL CB C 68 32.050 31.788 0.262 1
1 841 . 9 1 1 A 68 68 VAL N N 68 119.409 120.892 -1.483 1
1 842 . 9 1 1 A 69 69 LEU H H 69 7.911 8.283 -0.372 1
1 843 . 9 1 1 A 69 69 LEU HA H 69 4.127 3.942 0.185 1
1 853 . 9 1 1 A 69 69 LEU C C 69 178.438 178.919 -0.481 1
1 854 . 9 1 1 A 69 69 LEU CA C 69 56.461 58.148 -1.687 1
1 855 . 9 1 1 A 69 69 LEU CB C 69 42.153 41.581 0.572 1
1 859 . 9 1 1 A 69 69 LEU N N 69 122.199 118.506 3.693 1
1 14 . 10 1 1 A 2 2 LYS H H 2 8.383 8.578 -0.195 1
1 15 . 10 1 1 A 2 2 LYS HA H 2 4.314 4.682 -0.368 1
1 24 . 10 1 1 A 2 2 LYS C C 2 175.001 175.979 -0.978 1
1 25 . 10 1 1 A 2 2 LYS CA C 2 56.188 54.068 2.120 1
1 26 . 10 1 1 A 2 2 LYS CB C 2 33.481 35.060 -1.579 1
1 30 . 10 1 1 A 2 2 LYS N N 2 124.593 122.242 2.351 1
1 31 . 10 1 1 A 3 3 ILE H H 3 9.639 8.242 1.397 1
1 32 . 10 1 1 A 3 3 ILE HA H 3 4.510 4.464 0.046 1
1 42 . 10 1 1 A 3 3 ILE C C 3 176.337 175.724 0.613 1
1 43 . 10 1 1 A 3 3 ILE CA C 3 58.009 61.726 -3.717 1
1 44 . 10 1 1 A 3 3 ILE CB C 3 36.405 37.832 -1.427 1
1 48 . 10 1 1 A 3 3 ILE N N 3 124.160 121.319 2.841 1
1 49 . 10 1 1 A 4 4 THR H H 4 7.637 8.021 -0.384 1
1 50 . 10 1 1 A 4 4 THR HA H 4 4.795 4.949 -0.154 1
1 55 . 10 1 1 A 4 4 THR C C 4 175.818 175.224 0.594 1
1 56 . 10 1 1 A 4 4 THR CA C 4 59.550 59.093 0.457 1
1 57 . 10 1 1 A 4 4 THR CB C 4 71.365 71.872 -0.507 1
1 59 . 10 1 1 A 4 4 THR N N 4 115.631 116.696 -1.065 1
1 60 . 10 1 1 A 5 5 LYS H H 5 9.100 8.920 0.180 1
1 61 . 10 1 1 A 5 5 LYS HA H 5 3.910 4.088 -0.178 1
1 70 . 10 1 1 A 5 5 LYS C C 5 173.504 178.172 -4.668 1
1 71 . 10 1 1 A 5 5 LYS CA C 5 58.730 58.563 0.167 1
1 72 . 10 1 1 A 5 5 LYS CB C 5 32.584 32.012 0.572 1
1 76 . 10 1 1 A 5 5 LYS N N 5 117.257 119.450 -2.193 1
1 77 . 10 1 1 A 6 6 ASP H H 6 8.542 7.607 0.935 1
1 78 . 10 1 1 A 6 6 ASP HA H 6 4.577 4.610 -0.033 1
1 81 . 10 1 1 A 6 6 ASP C C 6 176.227 176.472 -0.245 1
1 82 . 10 1 1 A 6 6 ASP CA C 6 53.772 56.155 -2.383 1
1 83 . 10 1 1 A 6 6 ASP CB C 6 40.478 41.325 -0.847 1
1 84 . 10 1 1 A 6 6 ASP N N 6 115.528 119.253 -3.725 1
1 85 . 10 1 1 A 7 7 MET H H 7 7.545 7.794 -0.249 1
1 86 . 10 1 1 A 7 7 MET HA H 7 4.037 4.620 -0.583 1
1 94 . 10 1 1 A 7 7 MET C C 7 174.214 175.861 -1.647 1
1 95 . 10 1 1 A 7 7 MET CA C 7 57.578 55.553 2.025 1
1 96 . 10 1 1 A 7 7 MET CB C 7 33.295 33.558 -0.263 1
1 99 . 10 1 1 A 7 7 MET N N 7 119.925 118.951 0.974 1
1 100 . 10 1 1 A 8 8 ILE H H 8 8.721 8.601 0.120 1
1 101 . 10 1 1 A 8 8 ILE HA H 8 4.110 4.143 -0.033 1
1 111 . 10 1 1 A 8 8 ILE C C 8 178.731 176.803 1.928 1
1 112 . 10 1 1 A 8 8 ILE CA C 8 59.060 61.765 -2.705 1
1 113 . 10 1 1 A 8 8 ILE CB C 8 36.472 38.223 -1.751 1
1 117 . 10 1 1 A 8 8 ILE N N 8 121.085 122.707 -1.622 1
1 118 . 10 1 1 A 9 9 ILE H H 9 8.522 8.325 0.197 1
1 119 . 10 1 1 A 9 9 ILE HA H 9 3.238 3.591 -0.353 1
1 129 . 10 1 1 A 9 9 ILE C C 9 178.227 177.494 0.733 1
1 130 . 10 1 1 A 9 9 ILE CA C 9 67.720 64.794 2.926 1
1 131 . 10 1 1 A 9 9 ILE CB C 9 37.078 37.255 -0.177 1
1 135 . 10 1 1 A 9 9 ILE N N 9 128.907 124.311 4.596 1
1 136 . 10 1 1 A 10 10 ALA H H 10 8.578 8.316 0.262 1
1 137 . 10 1 1 A 10 10 ALA HA H 10 3.837 3.969 -0.132 1
1 141 . 10 1 1 A 10 10 ALA C C 10 179.790 179.346 0.444 1
1 142 . 10 1 1 A 10 10 ALA CA C 10 55.447 55.090 0.357 1
1 143 . 10 1 1 A 10 10 ALA CB C 10 19.000 18.086 0.914 1
1 144 . 10 1 1 A 10 10 ALA N N 10 118.416 121.345 -2.929 1
1 145 . 10 1 1 A 11 11 ASP H H 11 7.100 8.079 -0.979 1
1 146 . 10 1 1 A 11 11 ASP HA H 11 4.380 4.395 -0.015 1
1 149 . 10 1 1 A 11 11 ASP C C 11 178.903 178.619 0.284 1
1 150 . 10 1 1 A 11 11 ASP CA C 11 56.979 57.454 -0.475 1
1 151 . 10 1 1 A 11 11 ASP CB C 11 39.520 41.227 -1.707 1
1 152 . 10 1 1 A 11 11 ASP N N 11 116.224 118.929 -2.705 1
1 153 . 10 1 1 A 12 12 VAL H H 12 7.723 8.087 -0.364 1
1 154 . 10 1 1 A 12 12 VAL HA H 12 3.862 3.784 0.078 1
1 162 . 10 1 1 A 12 12 VAL C C 12 177.664 178.486 -0.822 1
1 163 . 10 1 1 A 12 12 VAL CA C 12 66.656 66.472 0.184 1
1 164 . 10 1 1 A 12 12 VAL CB C 12 31.980 31.692 0.288 1
1 167 . 10 1 1 A 12 12 VAL N N 12 123.054 119.766 3.288 1
1 168 . 10 1 1 A 13 13 LEU H H 13 7.995 8.111 -0.116 1
1 169 . 10 1 1 A 13 13 LEU HA H 13 3.945 4.160 -0.215 1
1 179 . 10 1 1 A 13 13 LEU C C 13 175.458 179.603 -4.145 1
1 180 . 10 1 1 A 13 13 LEU CA C 13 57.259 57.410 -0.151 1
1 181 . 10 1 1 A 13 13 LEU CB C 13 42.140 41.115 1.025 1
1 185 . 10 1 1 A 13 13 LEU N N 13 118.291 120.009 -1.718 1
1 186 . 10 1 1 A 14 14 GLN H H 14 7.580 8.021 -0.441 1
1 187 . 10 1 1 A 14 14 GLN HA H 14 3.988 4.169 -0.181 1
1 194 . 10 1 1 A 14 14 GLN C C 14 178.311 179.055 -0.744 1
1 195 . 10 1 1 A 14 14 GLN CA C 14 57.659 58.840 -1.181 1
1 196 . 10 1 1 A 14 14 GLN CB C 14 28.700 28.219 0.481 1
1 198 . 10 1 1 A 14 14 GLN N N 14 114.621 119.165 -4.544 1
1 200 . 10 1 1 A 15 15 MET H H 15 7.675 7.403 0.272 1
1 201 . 10 1 1 A 15 15 MET HA H 15 4.069 4.465 -0.396 1
1 209 . 10 1 1 A 15 15 MET C C 15 177.780 176.367 1.413 1
1 210 . 10 1 1 A 15 15 MET CA C 15 59.420 58.705 0.715 1
1 211 . 10 1 1 A 15 15 MET CB C 15 33.423 33.895 -0.472 1
1 214 . 10 1 1 A 15 15 MET N N 15 119.587 118.159 1.428 1
1 215 . 10 1 1 A 16 16 ASP H H 16 7.520 7.789 -0.269 1
1 216 . 10 1 1 A 16 16 ASP HA H 16 4.613 4.986 -0.373 1
1 219 . 10 1 1 A 16 16 ASP C C 16 175.706 175.611 0.095 1
1 220 . 10 1 1 A 16 16 ASP CA C 16 55.090 53.943 1.147 1
1 221 . 10 1 1 A 16 16 ASP CB C 16 43.460 43.850 -0.390 1
1 222 . 10 1 1 A 16 16 ASP N N 16 113.838 116.608 -2.770 1
1 223 . 10 1 1 A 17 17 ARG H H 17 9.352 8.880 0.472 1
1 224 . 10 1 1 A 17 17 ARG HA H 17 4.253 4.154 0.099 1
1 231 . 10 1 1 A 17 17 ARG C C 17 178.889 177.702 1.187 1
1 232 . 10 1 1 A 17 17 ARG CA C 17 58.566 58.576 -0.010 1
1 233 . 10 1 1 A 17 17 ARG CB C 17 29.280 30.112 -0.832 1
1 236 . 10 1 1 A 17 17 ARG N N 17 131.098 125.045 6.053 1
1 237 . 10 1 1 A 18 18 GLY H H 18 9.534 8.311 1.223 1
1 238 . 10 1 1 A 18 18 GLY HA2 H 18 3.857 3.889 -0.032 1
1 239 . 10 1 1 A 18 18 GLY HA3 H 18 3.946 3.942 0.004 1
1 240 . 10 1 1 A 18 18 GLY C C 18 173.747 175.182 -1.435 1
1 241 . 10 1 1 A 18 18 GLY CA C 18 45.820 45.849 -0.029 1
1 242 . 10 1 1 A 18 18 GLY N N 18 111.218 108.137 3.081 1
1 243 . 10 1 1 A 19 19 THR H H 19 7.486 7.607 -0.121 1
1 244 . 10 1 1 A 19 19 THR HA H 19 3.293 3.633 -0.340 1
1 249 . 10 1 1 A 19 19 THR C C 19 177.067 176.760 0.307 1
1 250 . 10 1 1 A 19 19 THR CA C 19 63.090 64.164 -1.074 1
1 251 . 10 1 1 A 19 19 THR CB C 19 69.960 68.306 1.654 1
1 253 . 10 1 1 A 19 19 THR N N 19 106.889 111.659 -4.770 1
1 254 . 10 1 1 A 20 20 ALA H H 20 7.648 7.970 -0.322 1
1 255 . 10 1 1 A 20 20 ALA HA H 20 4.246 4.308 -0.062 1
1 259 . 10 1 1 A 20 20 ALA CA C 20 57.780 57.109 0.671 1
1 260 . 10 1 1 A 20 20 ALA CB C 20 15.960 17.062 -1.102 1
1 261 . 10 1 1 A 20 20 ALA N N 20 125.258 124.986 0.272 1
1 262 . 10 1 1 A 21 21 PRO HA H 21 4.169 4.344 -0.175 1
1 269 . 10 1 1 A 21 21 PRO C C 21 177.812 179.024 -1.212 1
1 270 . 10 1 1 A 21 21 PRO CA C 21 65.630 65.394 0.236 1
1 271 . 10 1 1 A 21 21 PRO CB C 21 31.220 30.988 0.232 1
1 274 . 10 1 1 A 22 22 ILE H H 22 7.120 6.929 0.191 1
1 275 . 10 1 1 A 22 22 ILE HA H 22 3.622 3.751 -0.129 1
1 285 . 10 1 1 A 22 22 ILE C C 22 179.561 178.146 1.415 1
1 286 . 10 1 1 A 22 22 ILE CA C 22 64.640 63.981 0.659 1
1 287 . 10 1 1 A 22 22 ILE CB C 22 37.200 37.277 -0.077 1
1 291 . 10 1 1 A 22 22 ILE N N 22 117.089 117.017 0.072 1
1 292 . 10 1 1 A 23 23 PHE H H 23 7.411 7.583 -0.172 1
1 293 . 10 1 1 A 23 23 PHE HA H 23 3.919 4.293 -0.374 1
1 301 . 10 1 1 A 23 23 PHE C C 23 178.486 178.188 0.298 1
1 302 . 10 1 1 A 23 23 PHE CA C 23 63.450 60.727 2.723 1
1 303 . 10 1 1 A 23 23 PHE CB C 23 38.740 38.781 -0.041 1
1 309 . 10 1 1 A 23 23 PHE N N 23 118.753 118.609 0.144 1
1 310 . 10 1 1 A 24 24 ILE H H 24 8.077 8.304 -0.227 1
1 311 . 10 1 1 A 24 24 ILE HA H 24 3.503 3.653 -0.150 1
1 321 . 10 1 1 A 24 24 ILE C C 24 180.431 178.015 2.416 1
1 322 . 10 1 1 A 24 24 ILE CA C 24 64.997 65.689 -0.692 1
1 323 . 10 1 1 A 24 24 ILE CB C 24 38.110 38.036 0.074 1
1 327 . 10 1 1 A 24 24 ILE N N 24 120.410 119.896 0.514 1
1 328 . 10 1 1 A 25 25 ASN H H 25 8.971 8.524 0.447 1
1 329 . 10 1 1 A 25 25 ASN HA H 25 4.453 4.460 -0.007 1
1 334 . 10 1 1 A 25 25 ASN C C 25 176.784 176.844 -0.060 1
1 335 . 10 1 1 A 25 25 ASN CA C 25 55.321 56.679 -1.358 1
1 336 . 10 1 1 A 25 25 ASN CB C 25 37.880 39.795 -1.915 1
1 337 . 10 1 1 A 25 25 ASN N N 25 120.191 119.435 0.756 1
1 339 . 10 1 1 A 26 26 ASN H H 26 7.315 7.726 -0.411 1
1 340 . 10 1 1 A 26 26 ASN HA H 26 4.601 4.755 -0.154 1
1 345 . 10 1 1 A 26 26 ASN C C 26 173.732 175.574 -1.842 1
1 346 . 10 1 1 A 26 26 ASN CA C 26 54.840 53.089 1.751 1
1 347 . 10 1 1 A 26 26 ASN CB C 26 40.890 39.165 1.725 1
1 348 . 10 1 1 A 26 26 ASN N N 26 116.500 115.126 1.374 1
1 350 . 10 1 1 A 27 27 GLY H H 27 7.880 8.027 -0.147 1
1 351 . 10 1 1 A 27 27 GLY HA2 H 27 4.305 3.856 0.449 1
1 352 . 10 1 1 A 27 27 GLY HA3 H 27 3.570 3.913 -0.343 1
1 353 . 10 1 1 A 27 27 GLY CA C 27 45.308 45.099 0.209 1
1 354 . 10 1 1 A 27 27 GLY N N 27 104.918 107.506 -2.588 1
1 355 . 10 1 1 A 28 28 MET H H 28 7.948 7.937 0.011 1
1 356 . 10 1 1 A 28 28 MET HA H 28 4.190 4.277 -0.087 1
1 364 . 10 1 1 A 28 28 MET C C 28 174.147 175.144 -0.997 1
1 365 . 10 1 1 A 28 28 MET CA C 28 54.335 56.060 -1.725 1
1 366 . 10 1 1 A 28 28 MET CB C 28 31.978 33.283 -1.305 1
1 369 . 10 1 1 A 28 28 MET N N 28 120.940 120.538 0.402 1
1 370 . 10 1 1 A 29 29 HIS H H 29 7.994 8.776 -0.782 1
1 371 . 10 1 1 A 29 29 HIS HA H 29 4.592 5.278 -0.686 1
1 375 . 10 1 1 A 29 29 HIS C C 29 177.664 174.170 3.494 1
1 376 . 10 1 1 A 29 29 HIS CA C 29 56.178 53.730 2.448 1
1 377 . 10 1 1 A 29 29 HIS CB C 29 30.190 32.555 -2.365 1
1 378 . 10 1 1 A 29 29 HIS N N 29 121.779 122.976 -1.197 1
1 379 . 10 1 1 A 30 30 CYS H H 30 7.867 8.324 -0.457 1
1 380 . 10 1 1 A 30 30 CYS HA H 30 4.555 4.531 0.024 1
1 383 . 10 1 1 A 30 30 CYS C C 30 174.265 174.416 -0.151 1
1 384 . 10 1 1 A 30 30 CYS CA C 30 57.398 57.965 -0.567 1
1 385 . 10 1 1 A 30 30 CYS CB C 30 28.234 27.165 1.069 1
1 386 . 10 1 1 A 30 30 CYS N N 30 116.200 126.548 -10.348 1
1 387 . 10 1 1 A 31 31 LEU H H 31 7.845 8.553 -0.708 1
1 388 . 10 1 1 A 31 31 LEU HA H 31 4.045 4.528 -0.483 1
1 398 . 10 1 1 A 31 31 LEU C C 31 177.285 177.854 -0.569 1
1 399 . 10 1 1 A 31 31 LEU CA C 31 56.415 54.750 1.665 1
1 400 . 10 1 1 A 31 31 LEU CB C 31 41.172 43.569 -2.397 1
1 404 . 10 1 1 A 31 31 LEU N N 31 122.518 128.125 -5.607 1
1 405 . 10 1 1 A 32 32 GLY H H 32 8.292 8.719 -0.427 1
1 406 . 10 1 1 A 32 32 GLY HA2 H 32 3.852 3.815 0.037 1
1 407 . 10 1 1 A 32 32 GLY HA3 H 32 3.852 3.828 0.024 1
1 408 . 10 1 1 A 32 32 GLY C C 32 173.868 175.376 -1.508 1
1 409 . 10 1 1 A 32 32 GLY CA C 32 45.182 47.389 -2.207 1
1 410 . 10 1 1 A 32 32 GLY N N 32 108.193 111.786 -3.593 1
1 411 . 10 1 1 A 33 33 CYS H H 33 7.747 8.161 -0.414 1
1 412 . 10 1 1 A 33 33 CYS HA H 33 4.826 4.581 0.245 1
1 415 . 10 1 1 A 33 33 CYS CA C 33 56.005 58.507 -2.502 1
1 416 . 10 1 1 A 33 33 CYS CB C 33 27.330 26.906 0.424 1
1 417 . 10 1 1 A 33 33 CYS N N 33 120.574 119.954 0.620 1
1 418 . 10 1 1 A 34 34 PRO HA H 34 4.179 4.216 -0.037 1
1 425 . 10 1 1 A 34 34 PRO C C 34 178.582 178.898 -0.316 1
1 426 . 10 1 1 A 34 34 PRO CA C 34 65.610 66.049 -0.439 1
1 427 . 10 1 1 A 34 34 PRO CB C 34 32.071 31.459 0.612 1
1 430 . 10 1 1 A 35 35 SER H H 35 8.315 8.017 0.298 1
1 431 . 10 1 1 A 35 35 SER HA H 35 4.209 4.087 0.122 1
1 434 . 10 1 1 A 35 35 SER C C 35 177.910 175.543 2.367 1
1 435 . 10 1 1 A 35 35 SER CA C 35 60.704 60.804 -0.100 1
1 436 . 10 1 1 A 35 35 SER CB C 35 62.590 61.828 0.762 1
1 437 . 10 1 1 A 35 35 SER N N 35 112.899 111.778 1.121 1
1 438 . 10 1 1 A 36 36 SER H H 36 7.903 8.386 -0.483 1
1 439 . 10 1 1 A 36 36 SER HA H 36 4.432 4.442 -0.010 1
1 442 . 10 1 1 A 36 36 SER C C 36 175.084 176.346 -1.262 1
1 443 . 10 1 1 A 36 36 SER CA C 36 60.336 61.157 -0.821 1
1 444 . 10 1 1 A 36 36 SER CB C 36 63.920 63.178 0.742 1
1 445 . 10 1 1 A 36 36 SER N N 36 117.747 116.427 1.320 1
1 446 . 10 1 1 A 37 37 MET H H 37 7.646 8.204 -0.558 1
1 447 . 10 1 1 A 37 37 MET HA H 37 4.114 4.232 -0.118 1
1 455 . 10 1 1 A 37 37 MET C C 37 175.617 177.669 -2.052 1
1 456 . 10 1 1 A 37 37 MET CA C 37 56.922 57.619 -0.697 1
1 457 . 10 1 1 A 37 37 MET CB C 37 32.891 31.566 1.325 1
1 460 . 10 1 1 A 37 37 MET N N 37 117.790 119.393 -1.603 1
1 461 . 10 1 1 A 38 38 GLY H H 38 7.742 8.159 -0.417 1
1 462 . 10 1 1 A 38 38 GLY HA2 H 38 4.156 3.968 0.188 1
1 463 . 10 1 1 A 38 38 GLY HA3 H 38 3.623 3.970 -0.347 1
1 464 . 10 1 1 A 38 38 GLY C C 38 174.147 173.853 0.294 1
1 465 . 10 1 1 A 38 38 GLY CA C 38 45.260 45.211 0.049 1
1 466 . 10 1 1 A 38 38 GLY N N 38 104.897 107.489 -2.592 1
1 467 . 10 1 1 A 39 39 GLU H H 39 7.288 7.151 0.137 1
1 468 . 10 1 1 A 39 39 GLU HA H 39 4.539 4.983 -0.444 1
1 473 . 10 1 1 A 39 39 GLU C C 39 173.845 175.620 -1.775 1
1 474 . 10 1 1 A 39 39 GLU CA C 39 54.885 54.799 0.086 1
1 475 . 10 1 1 A 39 39 GLU CB C 39 31.980 32.728 -0.748 1
1 477 . 10 1 1 A 39 39 GLU N N 39 119.469 119.336 0.133 1
1 478 . 10 1 1 A 40 40 SER H H 40 9.174 8.947 0.227 1
1 479 . 10 1 1 A 40 40 SER HA H 40 4.847 5.026 -0.179 1
1 482 . 10 1 1 A 40 40 SER C C 40 175.082 176.108 -1.026 1
1 483 . 10 1 1 A 40 40 SER CA C 40 56.757 57.269 -0.512 1
1 484 . 10 1 1 A 40 40 SER CB C 40 65.397 65.569 -0.172 1
1 485 . 10 1 1 A 40 40 SER N N 40 115.819 114.060 1.759 1
1 486 . 10 1 1 A 41 41 ILE H H 41 8.739 9.029 -0.290 1
1 487 . 10 1 1 A 41 41 ILE HA H 41 3.512 3.778 -0.266 1
1 497 . 10 1 1 A 41 41 ILE C C 41 178.832 177.741 1.091 1
1 498 . 10 1 1 A 41 41 ILE CA C 41 67.190 65.807 1.383 1
1 499 . 10 1 1 A 41 41 ILE CB C 41 38.460 38.032 0.428 1
1 503 . 10 1 1 A 41 41 ILE N N 41 121.236 122.439 -1.203 1
1 504 . 10 1 1 A 42 42 GLU H H 42 8.932 8.588 0.344 1
1 505 . 10 1 1 A 42 42 GLU HA H 42 3.826 4.048 -0.222 1
1 510 . 10 1 1 A 42 42 GLU C C 42 178.134 178.448 -0.314 1
1 511 . 10 1 1 A 42 42 GLU CA C 42 59.860 59.234 0.626 1
1 512 . 10 1 1 A 42 42 GLU CB C 42 29.286 29.113 0.173 1
1 514 . 10 1 1 A 42 42 GLU N N 42 117.512 120.289 -2.777 1
1 515 . 10 1 1 A 43 43 ASP H H 43 8.090 7.762 0.328 1
1 516 . 10 1 1 A 43 43 ASP HA H 43 4.428 4.355 0.073 1
1 519 . 10 1 1 A 43 43 ASP C C 43 179.021 178.106 0.915 1
1 520 . 10 1 1 A 43 43 ASP CA C 43 57.460 57.567 -0.107 1
1 521 . 10 1 1 A 43 43 ASP CB C 43 39.485 41.245 -1.760 1
1 522 . 10 1 1 A 43 43 ASP N N 43 122.750 120.710 2.040 1
1 523 . 10 1 1 A 44 44 ALA H H 44 8.807 8.268 0.539 1
1 524 . 10 1 1 A 44 44 ALA HA H 44 4.242 4.198 0.044 1
1 528 . 10 1 1 A 44 44 ALA C C 44 181.423 180.017 1.406 1
1 529 . 10 1 1 A 44 44 ALA CA C 44 55.260 55.182 0.078 1
1 530 . 10 1 1 A 44 44 ALA CB C 44 19.775 17.877 1.898 1
1 531 . 10 1 1 A 44 44 ALA N N 44 123.434 120.973 2.461 1
1 532 . 10 1 1 A 45 45 CYS H H 45 8.663 8.286 0.377 1
1 533 . 10 1 1 A 45 45 CYS HA H 45 4.039 4.168 -0.129 1
1 536 . 10 1 1 A 45 45 CYS C C 45 176.954 177.094 -0.140 1
1 537 . 10 1 1 A 45 45 CYS CA C 45 65.300 62.881 2.419 1
1 538 . 10 1 1 A 45 45 CYS CB C 45 26.940 26.382 0.558 1
1 539 . 10 1 1 A 45 45 CYS N N 45 115.424 116.201 -0.777 1
1 540 . 10 1 1 A 46 46 ALA H H 46 7.844 8.016 -0.172 1
1 541 . 10 1 1 A 46 46 ALA HA H 46 4.274 4.064 0.210 1
1 545 . 10 1 1 A 46 46 ALA C C 46 180.730 180.615 0.115 1
1 546 . 10 1 1 A 46 46 ALA CA C 46 55.127 55.184 -0.057 1
1 547 . 10 1 1 A 46 46 ALA CB C 46 18.020 18.221 -0.201 1
1 548 . 10 1 1 A 46 46 ALA N N 46 122.366 122.655 -0.289 1
1 549 . 10 1 1 A 47 47 VAL H H 47 7.503 7.708 -0.205 1
1 550 . 10 1 1 A 47 47 VAL HA H 47 3.690 3.637 0.053 1
1 558 . 10 1 1 A 47 47 VAL C C 47 177.652 177.863 -0.211 1
1 559 . 10 1 1 A 47 47 VAL CA C 47 65.530 66.635 -1.105 1
1 560 . 10 1 1 A 47 47 VAL CB C 47 32.140 31.716 0.424 1
1 563 . 10 1 1 A 47 47 VAL N N 47 116.850 119.233 -2.383 1
1 564 . 10 1 1 A 48 48 HIS H H 48 7.496 7.755 -0.259 1
1 565 . 10 1 1 A 48 48 HIS HA H 48 4.629 4.554 0.075 1
1 569 . 10 1 1 A 48 48 HIS C C 48 174.865 175.476 -0.611 1
1 570 . 10 1 1 A 48 48 HIS CA C 48 56.985 57.804 -0.819 1
1 571 . 10 1 1 A 48 48 HIS CB C 48 31.033 30.258 0.775 1
1 573 . 10 1 1 A 48 48 HIS N N 48 114.271 119.195 -4.924 1
1 574 . 10 1 1 A 49 49 GLY H H 49 7.846 8.279 -0.433 1
1 575 . 10 1 1 A 49 49 GLY HA2 H 49 4.002 3.897 0.105 1
1 576 . 10 1 1 A 49 49 GLY HA3 H 49 4.002 3.904 0.098 1
1 577 . 10 1 1 A 49 49 GLY C C 49 174.536 174.622 -0.086 1
1 578 . 10 1 1 A 49 49 GLY CA C 49 47.189 46.693 0.496 1
1 579 . 10 1 1 A 49 49 GLY N N 49 110.669 107.862 2.807 1
1 580 . 10 1 1 A 50 50 ILE H H 50 8.126 8.232 -0.106 1
1 581 . 10 1 1 A 50 50 ILE HA H 50 4.295 4.560 -0.265 1
1 591 . 10 1 1 A 50 50 ILE C C 50 175.038 174.750 0.288 1
1 592 . 10 1 1 A 50 50 ILE CA C 50 59.759 60.185 -0.426 1
1 593 . 10 1 1 A 50 50 ILE CB C 50 41.222 39.698 1.524 1
1 597 . 10 1 1 A 50 50 ILE N N 50 119.905 120.034 -0.129 1
1 598 . 10 1 1 A 51 51 ASP H H 51 8.497 8.575 -0.078 1
1 599 . 10 1 1 A 51 51 ASP HA H 51 4.523 4.740 -0.217 1
1 602 . 10 1 1 A 51 51 ASP C C 51 175.978 176.482 -0.504 1
1 603 . 10 1 1 A 51 51 ASP CA C 51 54.100 53.071 1.029 1
1 604 . 10 1 1 A 51 51 ASP CB C 51 40.990 40.321 0.669 1
1 605 . 10 1 1 A 51 51 ASP N N 51 124.951 125.756 -0.805 1
1 606 . 10 1 1 A 52 52 ALA H H 52 8.791 8.845 -0.054 1
1 607 . 10 1 1 A 52 52 ALA HA H 52 4.329 3.981 0.348 1
1 611 . 10 1 1 A 52 52 ALA CA C 52 55.070 55.626 -0.556 1
1 612 . 10 1 1 A 52 52 ALA CB C 52 19.480 18.415 1.065 1
1 613 . 10 1 1 A 52 52 ALA N N 52 131.766 129.155 2.611 1
1 614 . 10 1 1 A 53 53 ASP H H 53 8.082 8.140 -0.058 1
1 615 . 10 1 1 A 53 53 ASP HA H 53 4.321 4.343 -0.022 1
1 618 . 10 1 1 A 53 53 ASP CA C 53 57.500 57.389 0.111 1
1 619 . 10 1 1 A 53 53 ASP CB C 53 39.940 41.229 -1.289 1
1 620 . 10 1 1 A 53 53 ASP N N 53 116.960 118.394 -1.434 1
1 621 . 10 1 1 A 54 54 LYS H H 54 7.762 7.732 0.030 1
1 622 . 10 1 1 A 54 54 LYS HA H 54 3.958 4.030 -0.072 1
1 631 . 10 1 1 A 54 54 LYS C C 54 177.748 179.098 -1.350 1
1 632 . 10 1 1 A 54 54 LYS CA C 54 59.355 59.764 -0.409 1
1 633 . 10 1 1 A 54 54 LYS CB C 54 32.920 32.271 0.649 1
1 637 . 10 1 1 A 54 54 LYS N N 54 123.420 119.028 4.392 1
1 638 . 10 1 1 A 55 55 LEU H H 55 7.337 7.679 -0.342 1
1 639 . 10 1 1 A 55 55 LEU HA H 55 3.822 3.961 -0.139 1
1 649 . 10 1 1 A 55 55 LEU C C 55 177.966 178.311 -0.345 1
1 650 . 10 1 1 A 55 55 LEU CA C 55 58.258 58.335 -0.077 1
1 651 . 10 1 1 A 55 55 LEU CB C 55 41.908 41.616 0.292 1
1 655 . 10 1 1 A 55 55 LEU N N 55 119.522 121.549 -2.027 1
1 656 . 10 1 1 A 56 56 VAL H H 56 8.503 8.317 0.186 1
1 657 . 10 1 1 A 56 56 VAL HA H 56 3.378 3.508 -0.130 1
1 665 . 10 1 1 A 56 56 VAL C C 56 177.576 178.163 -0.587 1
1 666 . 10 1 1 A 56 56 VAL CA C 56 67.460 66.853 0.607 1
1 667 . 10 1 1 A 56 56 VAL CB C 56 31.560 31.587 -0.027 1
1 670 . 10 1 1 A 56 56 VAL N N 56 117.548 119.396 -1.848 1
1 671 . 10 1 1 A 57 57 LYS H H 57 8.003 7.575 0.428 1
1 672 . 10 1 1 A 57 57 LYS HA H 57 4.200 3.834 0.366 1
1 681 . 10 1 1 A 57 57 LYS C C 57 179.196 179.889 -0.693 1
1 682 . 10 1 1 A 57 57 LYS CA C 57 60.130 60.501 -0.371 1
1 683 . 10 1 1 A 57 57 LYS CB C 57 32.383 32.409 -0.026 1
1 687 . 10 1 1 A 57 57 LYS N N 57 122.289 119.160 3.129 1
1 688 . 10 1 1 A 58 58 GLU H H 58 8.035 7.830 0.205 1
1 689 . 10 1 1 A 58 58 GLU HA H 58 4.010 4.038 -0.028 1
1 694 . 10 1 1 A 58 58 GLU CA C 58 59.975 59.101 0.874 1
1 695 . 10 1 1 A 58 58 GLU CB C 58 29.430 29.119 0.311 1
1 697 . 10 1 1 A 58 58 GLU N N 58 119.482 120.087 -0.605 1
1 698 . 10 1 1 A 59 59 LEU H H 59 8.560 8.001 0.559 1
1 699 . 10 1 1 A 59 59 LEU HA H 59 3.998 3.910 0.088 1
1 709 . 10 1 1 A 59 59 LEU C C 59 178.239 179.262 -1.023 1
1 710 . 10 1 1 A 59 59 LEU CA C 59 58.200 57.860 0.340 1
1 711 . 10 1 1 A 59 59 LEU CB C 59 42.695 41.645 1.050 1
1 715 . 10 1 1 A 59 59 LEU N N 59 121.725 120.567 1.158 1
1 716 . 10 1 1 A 60 60 ASN H H 60 8.684 8.727 -0.043 1
1 717 . 10 1 1 A 60 60 ASN HA H 60 4.806 4.594 0.212 1
1 722 . 10 1 1 A 60 60 ASN C C 60 178.495 178.476 0.019 1
1 723 . 10 1 1 A 60 60 ASN CA C 60 57.895 56.709 1.186 1
1 724 . 10 1 1 A 60 60 ASN CB C 60 38.528 37.816 0.712 1
1 725 . 10 1 1 A 60 60 ASN N N 60 117.410 117.716 -0.306 1
1 727 . 10 1 1 A 61 61 GLU H H 61 8.602 8.421 0.181 1
1 728 . 10 1 1 A 61 61 GLU HA H 61 4.040 4.065 -0.025 1
1 733 . 10 1 1 A 61 61 GLU C C 61 178.325 178.852 -0.527 1
1 734 . 10 1 1 A 61 61 GLU CA C 61 59.814 59.511 0.303 1
1 735 . 10 1 1 A 61 61 GLU CB C 61 29.610 29.623 -0.013 1
1 737 . 10 1 1 A 61 61 GLU N N 61 121.480 119.590 1.890 1
1 738 . 10 1 1 A 62 62 TYR H H 62 7.698 7.957 -0.259 1
1 739 . 10 1 1 A 62 62 TYR HA H 62 3.978 4.234 -0.256 1
1 746 . 10 1 1 A 62 62 TYR C C 62 177.947 177.430 0.517 1
1 747 . 10 1 1 A 62 62 TYR CA C 62 61.600 61.347 0.253 1
1 748 . 10 1 1 A 62 62 TYR CB C 62 37.513 37.740 -0.227 1
1 753 . 10 1 1 A 62 62 TYR N N 62 120.683 121.129 -0.446 1
1 754 . 10 1 1 A 63 63 PHE H H 63 7.982 7.979 0.003 1
1 755 . 10 1 1 A 63 63 PHE HA H 63 3.932 4.122 -0.190 1
1 763 . 10 1 1 A 63 63 PHE CA C 63 63.262 62.151 1.111 1
1 764 . 10 1 1 A 63 63 PHE CB C 63 39.120 38.883 0.237 1
1 770 . 10 1 1 A 63 63 PHE N N 63 117.730 118.551 -0.821 1
1 771 . 10 1 1 A 64 64 GLU H H 64 8.554 8.323 0.231 1
1 772 . 10 1 1 A 64 64 GLU HA H 64 4.095 4.216 -0.121 1
1 777 . 10 1 1 A 64 64 GLU C C 64 178.921 179.435 -0.514 1
1 778 . 10 1 1 A 64 64 GLU CA C 64 59.322 59.830 -0.508 1
1 779 . 10 1 1 A 64 64 GLU CB C 64 29.670 29.071 0.599 1
1 781 . 10 1 1 A 64 64 GLU N N 64 121.392 120.205 1.187 1
1 782 . 10 1 1 A 65 65 LYS H H 65 7.850 8.131 -0.281 1
1 783 . 10 1 1 A 65 65 LYS HA H 65 3.982 4.109 -0.127 1
1 792 . 10 1 1 A 65 65 LYS C C 65 178.374 178.898 -0.524 1
1 793 . 10 1 1 A 65 65 LYS CA C 65 58.638 59.156 -0.518 1
1 794 . 10 1 1 A 65 65 LYS CB C 65 32.110 32.283 -0.173 1
1 798 . 10 1 1 A 65 65 LYS N N 65 118.746 120.443 -1.697 1
1 799 . 10 1 1 A 66 66 LYS H H 66 7.503 7.812 -0.309 1
1 800 . 10 1 1 A 66 66 LYS HA H 66 3.880 3.771 0.109 1
1 809 . 10 1 1 A 66 66 LYS C C 66 177.925 179.209 -1.284 1
1 810 . 10 1 1 A 66 66 LYS CA C 66 58.590 59.966 -1.376 1
1 811 . 10 1 1 A 66 66 LYS CB C 66 32.560 31.966 0.594 1
1 815 . 10 1 1 A 66 66 LYS N N 66 119.241 119.963 -0.722 1
1 816 . 10 1 1 A 67 67 GLU H H 67 7.876 7.785 0.091 1
1 817 . 10 1 1 A 67 67 GLU HA H 67 4.097 4.159 -0.062 1
1 822 . 10 1 1 A 67 67 GLU C C 67 178.016 177.191 0.825 1
1 823 . 10 1 1 A 67 67 GLU CA C 67 58.280 58.570 -0.290 1
1 824 . 10 1 1 A 67 67 GLU CB C 67 29.802 29.531 0.271 1
1 826 . 10 1 1 A 67 67 GLU N N 67 119.096 119.674 -0.578 1
1 827 . 10 1 1 A 68 68 VAL H H 68 7.719 7.589 0.130 1
1 828 . 10 1 1 A 68 68 VAL HA H 68 3.797 3.934 -0.137 1
1 836 . 10 1 1 A 68 68 VAL C C 68 177.668 177.709 -0.041 1
1 837 . 10 1 1 A 68 68 VAL CA C 68 64.600 64.582 0.018 1
1 838 . 10 1 1 A 68 68 VAL CB C 68 32.050 32.194 -0.144 1
1 841 . 10 1 1 A 68 68 VAL N N 68 119.409 118.517 0.892 1
1 842 . 10 1 1 A 69 69 LEU H H 69 7.911 8.509 -0.598 1
1 843 . 10 1 1 A 69 69 LEU HA H 69 4.127 3.875 0.252 1
1 853 . 10 1 1 A 69 69 LEU C C 69 178.438 178.721 -0.283 1
1 854 . 10 1 1 A 69 69 LEU CA C 69 56.461 58.137 -1.676 1
1 855 . 10 1 1 A 69 69 LEU CB C 69 42.153 41.467 0.686 1
1 859 . 10 1 1 A 69 69 LEU N N 69 122.199 119.004 3.195 1
1 14 . 11 1 1 A 2 2 LYS H H 2 8.383 8.205 0.178 1
1 15 . 11 1 1 A 2 2 LYS HA H 2 4.314 4.564 -0.250 1
1 24 . 11 1 1 A 2 2 LYS C C 2 175.001 176.192 -1.191 1
1 25 . 11 1 1 A 2 2 LYS CA C 2 56.188 56.387 -0.199 1
1 26 . 11 1 1 A 2 2 LYS CB C 2 33.481 33.004 0.477 1
1 30 . 11 1 1 A 2 2 LYS N N 2 124.593 123.440 1.153 1
1 31 . 11 1 1 A 3 3 ILE H H 3 9.639 8.473 1.166 1
1 32 . 11 1 1 A 3 3 ILE HA H 3 4.510 4.080 0.430 1
1 42 . 11 1 1 A 3 3 ILE C C 3 176.337 175.616 0.721 1
1 43 . 11 1 1 A 3 3 ILE CA C 3 58.009 62.189 -4.180 1
1 44 . 11 1 1 A 3 3 ILE CB C 3 36.405 38.096 -1.691 1
1 48 . 11 1 1 A 3 3 ILE N N 3 124.160 127.321 -3.161 1
1 49 . 11 1 1 A 4 4 THR H H 4 7.637 7.925 -0.288 1
1 50 . 11 1 1 A 4 4 THR HA H 4 4.795 4.911 -0.116 1
1 55 . 11 1 1 A 4 4 THR C C 4 175.818 175.588 0.230 1
1 56 . 11 1 1 A 4 4 THR CA C 4 59.550 59.053 0.497 1
1 57 . 11 1 1 A 4 4 THR CB C 4 71.365 71.865 -0.500 1
1 59 . 11 1 1 A 4 4 THR N N 4 115.631 116.804 -1.173 1
1 60 . 11 1 1 A 5 5 LYS H H 5 9.100 8.914 0.186 1
1 61 . 11 1 1 A 5 5 LYS HA H 5 3.910 4.100 -0.190 1
1 70 . 11 1 1 A 5 5 LYS C C 5 173.504 178.241 -4.737 1
1 71 . 11 1 1 A 5 5 LYS CA C 5 58.730 58.560 0.170 1
1 72 . 11 1 1 A 5 5 LYS CB C 5 32.584 31.988 0.596 1
1 76 . 11 1 1 A 5 5 LYS N N 5 117.257 119.668 -2.411 1
1 77 . 11 1 1 A 6 6 ASP H H 6 8.542 7.616 0.926 1
1 78 . 11 1 1 A 6 6 ASP HA H 6 4.577 4.577 0.000 1
1 81 . 11 1 1 A 6 6 ASP C C 6 176.227 176.514 -0.287 1
1 82 . 11 1 1 A 6 6 ASP CA C 6 53.772 56.197 -2.425 1
1 83 . 11 1 1 A 6 6 ASP CB C 6 40.478 41.024 -0.546 1
1 84 . 11 1 1 A 6 6 ASP N N 6 115.528 119.612 -4.084 1
1 85 . 11 1 1 A 7 7 MET H H 7 7.545 7.738 -0.193 1
1 86 . 11 1 1 A 7 7 MET HA H 7 4.037 4.628 -0.591 1
1 94 . 11 1 1 A 7 7 MET C C 7 174.214 175.923 -1.709 1
1 95 . 11 1 1 A 7 7 MET CA C 7 57.578 55.376 2.202 1
1 96 . 11 1 1 A 7 7 MET CB C 7 33.295 33.579 -0.284 1
1 99 . 11 1 1 A 7 7 MET N N 7 119.925 118.848 1.077 1
1 100 . 11 1 1 A 8 8 ILE H H 8 8.721 8.597 0.124 1
1 101 . 11 1 1 A 8 8 ILE HA H 8 4.110 4.153 -0.043 1
1 111 . 11 1 1 A 8 8 ILE C C 8 178.731 176.705 2.026 1
1 112 . 11 1 1 A 8 8 ILE CA C 8 59.060 61.737 -2.677 1
1 113 . 11 1 1 A 8 8 ILE CB C 8 36.472 38.028 -1.556 1
1 117 . 11 1 1 A 8 8 ILE N N 8 121.085 122.805 -1.720 1
1 118 . 11 1 1 A 9 9 ILE H H 9 8.522 8.522 0.000 1
1 119 . 11 1 1 A 9 9 ILE HA H 9 3.238 3.595 -0.357 1
1 129 . 11 1 1 A 9 9 ILE C C 9 178.227 177.222 1.005 1
1 130 . 11 1 1 A 9 9 ILE CA C 9 67.720 65.165 2.555 1
1 131 . 11 1 1 A 9 9 ILE CB C 9 37.078 37.619 -0.541 1
1 135 . 11 1 1 A 9 9 ILE N N 9 128.907 124.353 4.554 1
1 136 . 11 1 1 A 10 10 ALA H H 10 8.578 8.278 0.300 1
1 137 . 11 1 1 A 10 10 ALA HA H 10 3.837 3.927 -0.090 1
1 141 . 11 1 1 A 10 10 ALA C C 10 179.790 178.908 0.882 1
1 142 . 11 1 1 A 10 10 ALA CA C 10 55.447 55.341 0.106 1
1 143 . 11 1 1 A 10 10 ALA CB C 10 19.000 18.022 0.978 1
1 144 . 11 1 1 A 10 10 ALA N N 10 118.416 121.517 -3.101 1
1 145 . 11 1 1 A 11 11 ASP H H 11 7.100 8.119 -1.019 1
1 146 . 11 1 1 A 11 11 ASP HA H 11 4.380 4.334 0.046 1
1 149 . 11 1 1 A 11 11 ASP C C 11 178.903 178.652 0.251 1
1 150 . 11 1 1 A 11 11 ASP CA C 11 56.979 57.578 -0.599 1
1 151 . 11 1 1 A 11 11 ASP CB C 11 39.520 41.831 -2.311 1
1 152 . 11 1 1 A 11 11 ASP N N 11 116.224 118.533 -2.309 1
1 153 . 11 1 1 A 12 12 VAL H H 12 7.723 7.972 -0.249 1
1 154 . 11 1 1 A 12 12 VAL HA H 12 3.862 3.725 0.137 1
1 162 . 11 1 1 A 12 12 VAL C C 12 177.664 178.245 -0.581 1
1 163 . 11 1 1 A 12 12 VAL CA C 12 66.656 66.737 -0.081 1
1 164 . 11 1 1 A 12 12 VAL CB C 12 31.980 31.813 0.167 1
1 167 . 11 1 1 A 12 12 VAL N N 12 123.054 119.275 3.779 1
1 168 . 11 1 1 A 13 13 LEU H H 13 7.995 8.311 -0.316 1
1 169 . 11 1 1 A 13 13 LEU HA H 13 3.945 4.144 -0.199 1
1 179 . 11 1 1 A 13 13 LEU C C 13 175.458 179.583 -4.125 1
1 180 . 11 1 1 A 13 13 LEU CA C 13 57.259 57.652 -0.393 1
1 181 . 11 1 1 A 13 13 LEU CB C 13 42.140 40.938 1.202 1
1 185 . 11 1 1 A 13 13 LEU N N 13 118.291 119.749 -1.458 1
1 186 . 11 1 1 A 14 14 GLN H H 14 7.580 8.246 -0.666 1
1 187 . 11 1 1 A 14 14 GLN HA H 14 3.988 4.129 -0.141 1
1 194 . 11 1 1 A 14 14 GLN C C 14 178.311 178.174 0.137 1
1 195 . 11 1 1 A 14 14 GLN CA C 14 57.659 58.987 -1.328 1
1 196 . 11 1 1 A 14 14 GLN CB C 14 28.700 28.277 0.423 1
1 198 . 11 1 1 A 14 14 GLN N N 14 114.621 118.462 -3.841 1
1 200 . 11 1 1 A 15 15 MET H H 15 7.675 7.855 -0.180 1
1 201 . 11 1 1 A 15 15 MET HA H 15 4.069 4.609 -0.540 1
1 209 . 11 1 1 A 15 15 MET C C 15 177.780 176.381 1.399 1
1 210 . 11 1 1 A 15 15 MET CA C 15 59.420 57.809 1.611 1
1 211 . 11 1 1 A 15 15 MET CB C 15 33.423 34.396 -0.973 1
1 214 . 11 1 1 A 15 15 MET N N 15 119.587 117.055 2.532 1
1 215 . 11 1 1 A 16 16 ASP H H 16 7.520 8.002 -0.482 1
1 216 . 11 1 1 A 16 16 ASP HA H 16 4.613 5.000 -0.387 1
1 219 . 11 1 1 A 16 16 ASP C C 16 175.706 175.860 -0.154 1
1 220 . 11 1 1 A 16 16 ASP CA C 16 55.090 53.589 1.501 1
1 221 . 11 1 1 A 16 16 ASP CB C 16 43.460 43.062 0.398 1
1 222 . 11 1 1 A 16 16 ASP N N 16 113.838 117.485 -3.647 1
1 223 . 11 1 1 A 17 17 ARG H H 17 9.352 8.924 0.428 1
1 224 . 11 1 1 A 17 17 ARG HA H 17 4.253 4.272 -0.019 1
1 231 . 11 1 1 A 17 17 ARG C C 17 178.889 177.540 1.349 1
1 232 . 11 1 1 A 17 17 ARG CA C 17 58.566 58.196 0.370 1
1 233 . 11 1 1 A 17 17 ARG CB C 17 29.280 30.175 -0.895 1
1 236 . 11 1 1 A 17 17 ARG N N 17 131.098 125.908 5.190 1
1 237 . 11 1 1 A 18 18 GLY H H 18 9.534 8.416 1.118 1
1 238 . 11 1 1 A 18 18 GLY HA2 H 18 3.857 3.821 0.036 1
1 239 . 11 1 1 A 18 18 GLY HA3 H 18 3.946 3.887 0.059 1
1 240 . 11 1 1 A 18 18 GLY C C 18 173.747 175.508 -1.761 1
1 241 . 11 1 1 A 18 18 GLY CA C 18 45.820 46.027 -0.207 1
1 242 . 11 1 1 A 18 18 GLY N N 18 111.218 108.291 2.927 1
1 243 . 11 1 1 A 19 19 THR H H 19 7.486 7.677 -0.191 1
1 244 . 11 1 1 A 19 19 THR HA H 19 3.293 3.700 -0.407 1
1 249 . 11 1 1 A 19 19 THR C C 19 177.067 176.799 0.268 1
1 250 . 11 1 1 A 19 19 THR CA C 19 63.090 64.184 -1.094 1
1 251 . 11 1 1 A 19 19 THR CB C 19 69.960 68.258 1.702 1
1 253 . 11 1 1 A 19 19 THR N N 19 106.889 112.485 -5.596 1
1 254 . 11 1 1 A 20 20 ALA H H 20 7.648 7.972 -0.324 1
1 255 . 11 1 1 A 20 20 ALA HA H 20 4.246 4.274 -0.028 1
1 259 . 11 1 1 A 20 20 ALA CA C 20 57.780 57.114 0.666 1
1 260 . 11 1 1 A 20 20 ALA CB C 20 15.960 17.110 -1.150 1
1 261 . 11 1 1 A 20 20 ALA N N 20 125.258 125.286 -0.028 1
1 262 . 11 1 1 A 21 21 PRO HA H 21 4.169 4.337 -0.168 1
1 269 . 11 1 1 A 21 21 PRO C C 21 177.812 179.070 -1.258 1
1 270 . 11 1 1 A 21 21 PRO CA C 21 65.630 65.421 0.209 1
1 271 . 11 1 1 A 21 21 PRO CB C 21 31.220 30.983 0.237 1
1 274 . 11 1 1 A 22 22 ILE H H 22 7.120 7.240 -0.120 1
1 275 . 11 1 1 A 22 22 ILE HA H 22 3.622 3.745 -0.123 1
1 285 . 11 1 1 A 22 22 ILE C C 22 179.561 178.111 1.450 1
1 286 . 11 1 1 A 22 22 ILE CA C 22 64.640 63.991 0.649 1
1 287 . 11 1 1 A 22 22 ILE CB C 22 37.200 37.245 -0.045 1
1 291 . 11 1 1 A 22 22 ILE N N 22 117.089 117.063 0.026 1
1 292 . 11 1 1 A 23 23 PHE H H 23 7.411 8.067 -0.656 1
1 293 . 11 1 1 A 23 23 PHE HA H 23 3.919 4.312 -0.393 1
1 301 . 11 1 1 A 23 23 PHE C C 23 178.486 178.137 0.349 1
1 302 . 11 1 1 A 23 23 PHE CA C 23 63.450 60.616 2.834 1
1 303 . 11 1 1 A 23 23 PHE CB C 23 38.740 39.023 -0.283 1
1 309 . 11 1 1 A 23 23 PHE N N 23 118.753 118.789 -0.036 1
1 310 . 11 1 1 A 24 24 ILE H H 24 8.077 8.422 -0.345 1
1 311 . 11 1 1 A 24 24 ILE HA H 24 3.503 3.989 -0.486 1
1 321 . 11 1 1 A 24 24 ILE C C 24 180.431 178.036 2.395 1
1 322 . 11 1 1 A 24 24 ILE CA C 24 64.997 65.480 -0.483 1
1 323 . 11 1 1 A 24 24 ILE CB C 24 38.110 37.706 0.404 1
1 327 . 11 1 1 A 24 24 ILE N N 24 120.410 119.740 0.670 1
1 328 . 11 1 1 A 25 25 ASN H H 25 8.971 8.445 0.526 1
1 329 . 11 1 1 A 25 25 ASN HA H 25 4.453 4.468 -0.015 1
1 334 . 11 1 1 A 25 25 ASN C C 25 176.784 176.771 0.013 1
1 335 . 11 1 1 A 25 25 ASN CA C 25 55.321 56.547 -1.226 1
1 336 . 11 1 1 A 25 25 ASN CB C 25 37.880 39.733 -1.853 1
1 337 . 11 1 1 A 25 25 ASN N N 25 120.191 120.270 -0.079 1
1 339 . 11 1 1 A 26 26 ASN H H 26 7.315 7.746 -0.431 1
1 340 . 11 1 1 A 26 26 ASN HA H 26 4.601 4.728 -0.127 1
1 345 . 11 1 1 A 26 26 ASN C C 26 173.732 175.688 -1.956 1
1 346 . 11 1 1 A 26 26 ASN CA C 26 54.840 53.114 1.726 1
1 347 . 11 1 1 A 26 26 ASN CB C 26 40.890 39.241 1.649 1
1 348 . 11 1 1 A 26 26 ASN N N 26 116.500 115.210 1.290 1
1 350 . 11 1 1 A 27 27 GLY H H 27 7.880 7.911 -0.031 1
1 351 . 11 1 1 A 27 27 GLY HA2 H 27 4.305 4.030 0.275 1
1 352 . 11 1 1 A 27 27 GLY HA3 H 27 3.570 4.090 -0.520 1
1 353 . 11 1 1 A 27 27 GLY CA C 27 45.308 45.016 0.292 1
1 354 . 11 1 1 A 27 27 GLY N N 27 104.918 105.736 -0.818 1
1 355 . 11 1 1 A 28 28 MET H H 28 7.948 7.930 0.018 1
1 356 . 11 1 1 A 28 28 MET HA H 28 4.190 4.333 -0.143 1
1 364 . 11 1 1 A 28 28 MET C C 28 174.147 174.345 -0.198 1
1 365 . 11 1 1 A 28 28 MET CA C 28 54.335 55.989 -1.654 1
1 366 . 11 1 1 A 28 28 MET CB C 28 31.978 33.487 -1.509 1
1 369 . 11 1 1 A 28 28 MET N N 28 120.940 120.775 0.165 1
1 370 . 11 1 1 A 29 29 HIS H H 29 7.994 8.695 -0.701 1
1 371 . 11 1 1 A 29 29 HIS HA H 29 4.592 5.037 -0.445 1
1 375 . 11 1 1 A 29 29 HIS C C 29 177.664 175.136 2.528 1
1 376 . 11 1 1 A 29 29 HIS CA C 29 56.178 54.238 1.940 1
1 377 . 11 1 1 A 29 29 HIS CB C 29 30.190 31.593 -1.403 1
1 378 . 11 1 1 A 29 29 HIS N N 29 121.779 118.589 3.190 1
1 379 . 11 1 1 A 30 30 CYS H H 30 7.867 8.798 -0.931 1
1 380 . 11 1 1 A 30 30 CYS HA H 30 4.555 4.235 0.320 1
1 383 . 11 1 1 A 30 30 CYS C C 30 174.265 174.351 -0.086 1
1 384 . 11 1 1 A 30 30 CYS CA C 30 57.398 61.183 -3.785 1
1 385 . 11 1 1 A 30 30 CYS CB C 30 28.234 28.191 0.043 1
1 386 . 11 1 1 A 30 30 CYS N N 30 116.200 123.944 -7.744 1
1 387 . 11 1 1 A 31 31 LEU H H 31 7.845 7.929 -0.084 1
1 388 . 11 1 1 A 31 31 LEU HA H 31 4.045 4.749 -0.704 1
1 398 . 11 1 1 A 31 31 LEU C C 31 177.285 175.731 1.554 1
1 399 . 11 1 1 A 31 31 LEU CA C 31 56.415 53.867 2.548 1
1 400 . 11 1 1 A 31 31 LEU CB C 31 41.172 43.536 -2.364 1
1 404 . 11 1 1 A 31 31 LEU N N 31 122.518 120.580 1.938 1
1 405 . 11 1 1 A 32 32 GLY H H 32 8.292 8.339 -0.047 1
1 406 . 11 1 1 A 32 32 GLY HA2 H 32 3.852 4.166 -0.314 1
1 407 . 11 1 1 A 32 32 GLY HA3 H 32 3.852 4.169 -0.317 1
1 408 . 11 1 1 A 32 32 GLY C C 32 173.868 172.525 1.343 1
1 409 . 11 1 1 A 32 32 GLY CA C 32 45.182 46.139 -0.957 1
1 410 . 11 1 1 A 32 32 GLY N N 32 108.193 112.113 -3.920 1
1 411 . 11 1 1 A 33 33 CYS H H 33 7.747 8.112 -0.365 1
1 412 . 11 1 1 A 33 33 CYS HA H 33 4.826 4.623 0.203 1
1 415 . 11 1 1 A 33 33 CYS CA C 33 56.005 57.515 -1.510 1
1 416 . 11 1 1 A 33 33 CYS CB C 33 27.330 27.516 -0.186 1
1 417 . 11 1 1 A 33 33 CYS N N 33 120.574 123.203 -2.629 1
1 418 . 11 1 1 A 34 34 PRO HA H 34 4.179 4.333 -0.154 1
1 425 . 11 1 1 A 34 34 PRO C C 34 178.582 177.817 0.765 1
1 426 . 11 1 1 A 34 34 PRO CA C 34 65.610 65.122 0.488 1
1 427 . 11 1 1 A 34 34 PRO CB C 34 32.071 31.766 0.305 1
1 430 . 11 1 1 A 35 35 SER H H 35 8.315 8.249 0.066 1
1 431 . 11 1 1 A 35 35 SER HA H 35 4.209 4.223 -0.014 1
1 434 . 11 1 1 A 35 35 SER C C 35 177.910 177.276 0.634 1
1 435 . 11 1 1 A 35 35 SER CA C 35 60.704 60.812 -0.108 1
1 436 . 11 1 1 A 35 35 SER CB C 35 62.590 63.256 -0.666 1
1 437 . 11 1 1 A 35 35 SER N N 35 112.899 112.349 0.550 1
1 438 . 11 1 1 A 36 36 SER H H 36 7.903 7.836 0.067 1
1 439 . 11 1 1 A 36 36 SER HA H 36 4.432 4.535 -0.103 1
1 442 . 11 1 1 A 36 36 SER C C 36 175.084 176.602 -1.518 1
1 443 . 11 1 1 A 36 36 SER CA C 36 60.336 61.278 -0.942 1
1 444 . 11 1 1 A 36 36 SER CB C 36 63.920 63.073 0.847 1
1 445 . 11 1 1 A 36 36 SER N N 36 117.747 116.750 0.997 1
1 446 . 11 1 1 A 37 37 MET H H 37 7.646 7.899 -0.253 1
1 447 . 11 1 1 A 37 37 MET HA H 37 4.114 4.045 0.069 1
1 455 . 11 1 1 A 37 37 MET C C 37 175.617 178.082 -2.465 1
1 456 . 11 1 1 A 37 37 MET CA C 37 56.922 58.787 -1.865 1
1 457 . 11 1 1 A 37 37 MET CB C 37 32.891 32.484 0.407 1
1 460 . 11 1 1 A 37 37 MET N N 37 117.790 120.491 -2.701 1
1 461 . 11 1 1 A 38 38 GLY H H 38 7.742 8.092 -0.350 1
1 462 . 11 1 1 A 38 38 GLY HA2 H 38 4.156 3.934 0.222 1
1 463 . 11 1 1 A 38 38 GLY HA3 H 38 3.623 3.938 -0.315 1
1 464 . 11 1 1 A 38 38 GLY C C 38 174.147 174.086 0.061 1
1 465 . 11 1 1 A 38 38 GLY CA C 38 45.260 45.240 0.020 1
1 466 . 11 1 1 A 38 38 GLY N N 38 104.897 107.463 -2.566 1
1 467 . 11 1 1 A 39 39 GLU H H 39 7.288 7.672 -0.384 1
1 468 . 11 1 1 A 39 39 GLU HA H 39 4.539 4.612 -0.073 1
1 473 . 11 1 1 A 39 39 GLU C C 39 173.845 176.373 -2.528 1
1 474 . 11 1 1 A 39 39 GLU CA C 39 54.885 55.493 -0.608 1
1 475 . 11 1 1 A 39 39 GLU CB C 39 31.980 30.214 1.766 1
1 477 . 11 1 1 A 39 39 GLU N N 39 119.469 120.632 -1.163 1
1 478 . 11 1 1 A 40 40 SER H H 40 9.174 8.853 0.321 1
1 479 . 11 1 1 A 40 40 SER HA H 40 4.847 4.684 0.163 1
1 482 . 11 1 1 A 40 40 SER C C 40 175.082 175.821 -0.739 1
1 483 . 11 1 1 A 40 40 SER CA C 40 56.757 59.261 -2.504 1
1 484 . 11 1 1 A 40 40 SER CB C 40 65.397 63.487 1.910 1
1 485 . 11 1 1 A 40 40 SER N N 40 115.819 119.108 -3.289 1
1 486 . 11 1 1 A 41 41 ILE H H 41 8.739 9.039 -0.300 1
1 487 . 11 1 1 A 41 41 ILE HA H 41 3.512 3.830 -0.318 1
1 497 . 11 1 1 A 41 41 ILE C C 41 178.832 177.758 1.074 1
1 498 . 11 1 1 A 41 41 ILE CA C 41 67.190 65.627 1.563 1
1 499 . 11 1 1 A 41 41 ILE CB C 41 38.460 38.203 0.257 1
1 503 . 11 1 1 A 41 41 ILE N N 41 121.236 124.563 -3.327 1
1 504 . 11 1 1 A 42 42 GLU H H 42 8.932 8.849 0.083 1
1 505 . 11 1 1 A 42 42 GLU HA H 42 3.826 4.048 -0.222 1
1 510 . 11 1 1 A 42 42 GLU C C 42 178.134 178.554 -0.420 1
1 511 . 11 1 1 A 42 42 GLU CA C 42 59.860 59.267 0.593 1
1 512 . 11 1 1 A 42 42 GLU CB C 42 29.286 29.038 0.248 1
1 514 . 11 1 1 A 42 42 GLU N N 42 117.512 120.068 -2.556 1
1 515 . 11 1 1 A 43 43 ASP H H 43 8.090 8.267 -0.177 1
1 516 . 11 1 1 A 43 43 ASP HA H 43 4.428 4.374 0.054 1
1 519 . 11 1 1 A 43 43 ASP C C 43 179.021 178.063 0.958 1
1 520 . 11 1 1 A 43 43 ASP CA C 43 57.460 57.714 -0.254 1
1 521 . 11 1 1 A 43 43 ASP CB C 43 39.485 41.425 -1.940 1
1 522 . 11 1 1 A 43 43 ASP N N 43 122.750 120.627 2.123 1
1 523 . 11 1 1 A 44 44 ALA H H 44 8.807 8.361 0.446 1
1 524 . 11 1 1 A 44 44 ALA HA H 44 4.242 4.129 0.113 1
1 528 . 11 1 1 A 44 44 ALA C C 44 181.423 180.045 1.378 1
1 529 . 11 1 1 A 44 44 ALA CA C 44 55.260 55.081 0.179 1
1 530 . 11 1 1 A 44 44 ALA CB C 44 19.775 18.326 1.449 1
1 531 . 11 1 1 A 44 44 ALA N N 44 123.434 121.136 2.298 1
1 532 . 11 1 1 A 45 45 CYS H H 45 8.663 8.284 0.379 1
1 533 . 11 1 1 A 45 45 CYS HA H 45 4.039 4.178 -0.139 1
1 536 . 11 1 1 A 45 45 CYS C C 45 176.954 177.332 -0.378 1
1 537 . 11 1 1 A 45 45 CYS CA C 45 65.300 62.762 2.538 1
1 538 . 11 1 1 A 45 45 CYS CB C 45 26.940 26.513 0.427 1
1 539 . 11 1 1 A 45 45 CYS N N 45 115.424 116.329 -0.905 1
1 540 . 11 1 1 A 46 46 ALA H H 46 7.844 8.084 -0.240 1
1 541 . 11 1 1 A 46 46 ALA HA H 46 4.274 4.075 0.199 1
1 545 . 11 1 1 A 46 46 ALA C C 46 180.730 180.594 0.136 1
1 546 . 11 1 1 A 46 46 ALA CA C 46 55.127 55.173 -0.046 1
1 547 . 11 1 1 A 46 46 ALA CB C 46 18.020 18.303 -0.283 1
1 548 . 11 1 1 A 46 46 ALA N N 46 122.366 122.770 -0.404 1
1 549 . 11 1 1 A 47 47 VAL H H 47 7.503 7.729 -0.226 1
1 550 . 11 1 1 A 47 47 VAL HA H 47 3.690 3.624 0.066 1
1 558 . 11 1 1 A 47 47 VAL C C 47 177.652 177.591 0.061 1
1 559 . 11 1 1 A 47 47 VAL CA C 47 65.530 66.558 -1.028 1
1 560 . 11 1 1 A 47 47 VAL CB C 47 32.140 31.806 0.334 1
1 563 . 11 1 1 A 47 47 VAL N N 47 116.850 119.175 -2.325 1
1 564 . 11 1 1 A 48 48 HIS H H 48 7.496 7.715 -0.219 1
1 565 . 11 1 1 A 48 48 HIS HA H 48 4.629 4.628 0.001 1
1 569 . 11 1 1 A 48 48 HIS C C 48 174.865 175.363 -0.498 1
1 570 . 11 1 1 A 48 48 HIS CA C 48 56.985 57.237 -0.252 1
1 571 . 11 1 1 A 48 48 HIS CB C 48 31.033 30.337 0.696 1
1 573 . 11 1 1 A 48 48 HIS N N 48 114.271 118.639 -4.368 1
1 574 . 11 1 1 A 49 49 GLY H H 49 7.846 7.993 -0.147 1
1 575 . 11 1 1 A 49 49 GLY HA2 H 49 4.002 3.787 0.215 1
1 576 . 11 1 1 A 49 49 GLY HA3 H 49 4.002 3.835 0.167 1
1 577 . 11 1 1 A 49 49 GLY C C 49 174.536 174.651 -0.115 1
1 578 . 11 1 1 A 49 49 GLY CA C 49 47.189 46.817 0.372 1
1 579 . 11 1 1 A 49 49 GLY N N 49 110.669 108.428 2.241 1
1 580 . 11 1 1 A 50 50 ILE H H 50 8.126 8.191 -0.065 1
1 581 . 11 1 1 A 50 50 ILE HA H 50 4.295 4.457 -0.162 1
1 591 . 11 1 1 A 50 50 ILE C C 50 175.038 174.696 0.342 1
1 592 . 11 1 1 A 50 50 ILE CA C 50 59.759 60.122 -0.363 1
1 593 . 11 1 1 A 50 50 ILE CB C 50 41.222 39.628 1.594 1
1 597 . 11 1 1 A 50 50 ILE N N 50 119.905 120.071 -0.166 1
1 598 . 11 1 1 A 51 51 ASP H H 51 8.497 8.578 -0.081 1
1 599 . 11 1 1 A 51 51 ASP HA H 51 4.523 4.750 -0.227 1
1 602 . 11 1 1 A 51 51 ASP C C 51 175.978 176.633 -0.655 1
1 603 . 11 1 1 A 51 51 ASP CA C 51 54.100 52.800 1.300 1
1 604 . 11 1 1 A 51 51 ASP CB C 51 40.990 40.348 0.642 1
1 605 . 11 1 1 A 51 51 ASP N N 51 124.951 125.940 -0.989 1
1 606 . 11 1 1 A 52 52 ALA H H 52 8.791 8.817 -0.026 1
1 607 . 11 1 1 A 52 52 ALA HA H 52 4.329 4.013 0.316 1
1 611 . 11 1 1 A 52 52 ALA CA C 52 55.070 55.003 0.067 1
1 612 . 11 1 1 A 52 52 ALA CB C 52 19.480 18.367 1.113 1
1 613 . 11 1 1 A 52 52 ALA N N 52 131.766 128.782 2.984 1
1 614 . 11 1 1 A 53 53 ASP H H 53 8.082 8.174 -0.092 1
1 615 . 11 1 1 A 53 53 ASP HA H 53 4.321 4.311 0.010 1
1 618 . 11 1 1 A 53 53 ASP CA C 53 57.500 57.898 -0.398 1
1 619 . 11 1 1 A 53 53 ASP CB C 53 39.940 41.935 -1.995 1
1 620 . 11 1 1 A 53 53 ASP N N 53 116.960 118.349 -1.389 1
1 621 . 11 1 1 A 54 54 LYS H H 54 7.762 7.913 -0.151 1
1 622 . 11 1 1 A 54 54 LYS HA H 54 3.958 4.094 -0.136 1
1 631 . 11 1 1 A 54 54 LYS C C 54 177.748 179.041 -1.293 1
1 632 . 11 1 1 A 54 54 LYS CA C 54 59.355 59.333 0.022 1
1 633 . 11 1 1 A 54 54 LYS CB C 54 32.920 32.545 0.375 1
1 637 . 11 1 1 A 54 54 LYS N N 54 123.420 118.089 5.331 1
1 638 . 11 1 1 A 55 55 LEU H H 55 7.337 7.911 -0.574 1
1 639 . 11 1 1 A 55 55 LEU HA H 55 3.822 3.925 -0.103 1
1 649 . 11 1 1 A 55 55 LEU C C 55 177.966 178.367 -0.401 1
1 650 . 11 1 1 A 55 55 LEU CA C 55 58.258 58.382 -0.124 1
1 651 . 11 1 1 A 55 55 LEU CB C 55 41.908 41.780 0.128 1
1 655 . 11 1 1 A 55 55 LEU N N 55 119.522 121.669 -2.147 1
1 656 . 11 1 1 A 56 56 VAL H H 56 8.503 8.327 0.176 1
1 657 . 11 1 1 A 56 56 VAL HA H 56 3.378 3.444 -0.066 1
1 665 . 11 1 1 A 56 56 VAL C C 56 177.576 178.049 -0.473 1
1 666 . 11 1 1 A 56 56 VAL CA C 56 67.460 66.726 0.734 1
1 667 . 11 1 1 A 56 56 VAL CB C 56 31.560 31.354 0.206 1
1 670 . 11 1 1 A 56 56 VAL N N 56 117.548 119.176 -1.628 1
1 671 . 11 1 1 A 57 57 LYS H H 57 8.003 7.405 0.598 1
1 672 . 11 1 1 A 57 57 LYS HA H 57 4.200 3.893 0.307 1
1 681 . 11 1 1 A 57 57 LYS C C 57 179.196 180.059 -0.863 1
1 682 . 11 1 1 A 57 57 LYS CA C 57 60.130 60.411 -0.281 1
1 683 . 11 1 1 A 57 57 LYS CB C 57 32.383 32.201 0.182 1
1 687 . 11 1 1 A 57 57 LYS N N 57 122.289 118.903 3.386 1
1 688 . 11 1 1 A 58 58 GLU H H 58 8.035 8.243 -0.208 1
1 689 . 11 1 1 A 58 58 GLU HA H 58 4.010 4.006 0.004 1
1 694 . 11 1 1 A 58 58 GLU CA C 58 59.975 59.000 0.975 1
1 695 . 11 1 1 A 58 58 GLU CB C 58 29.430 29.286 0.144 1
1 697 . 11 1 1 A 58 58 GLU N N 58 119.482 120.671 -1.189 1
1 698 . 11 1 1 A 59 59 LEU H H 59 8.560 8.171 0.389 1
1 699 . 11 1 1 A 59 59 LEU HA H 59 3.998 3.849 0.149 1
1 709 . 11 1 1 A 59 59 LEU C C 59 178.239 179.204 -0.965 1
1 710 . 11 1 1 A 59 59 LEU CA C 59 58.200 57.816 0.384 1
1 711 . 11 1 1 A 59 59 LEU CB C 59 42.695 41.740 0.955 1
1 715 . 11 1 1 A 59 59 LEU N N 59 121.725 120.572 1.153 1
1 716 . 11 1 1 A 60 60 ASN H H 60 8.684 8.690 -0.006 1
1 717 . 11 1 1 A 60 60 ASN HA H 60 4.806 4.626 0.180 1
1 722 . 11 1 1 A 60 60 ASN C C 60 178.495 178.490 0.005 1
1 723 . 11 1 1 A 60 60 ASN CA C 60 57.895 56.733 1.162 1
1 724 . 11 1 1 A 60 60 ASN CB C 60 38.528 37.967 0.561 1
1 725 . 11 1 1 A 60 60 ASN N N 60 117.410 117.700 -0.290 1
1 727 . 11 1 1 A 61 61 GLU H H 61 8.602 8.420 0.182 1
1 728 . 11 1 1 A 61 61 GLU HA H 61 4.040 4.059 -0.019 1
1 733 . 11 1 1 A 61 61 GLU C C 61 178.325 178.721 -0.396 1
1 734 . 11 1 1 A 61 61 GLU CA C 61 59.814 59.502 0.312 1
1 735 . 11 1 1 A 61 61 GLU CB C 61 29.610 29.418 0.192 1
1 737 . 11 1 1 A 61 61 GLU N N 61 121.480 119.625 1.855 1
1 738 . 11 1 1 A 62 62 TYR H H 62 7.698 7.913 -0.215 1
1 739 . 11 1 1 A 62 62 TYR HA H 62 3.978 4.240 -0.262 1
1 746 . 11 1 1 A 62 62 TYR C C 62 177.947 177.619 0.328 1
1 747 . 11 1 1 A 62 62 TYR CA C 62 61.600 61.309 0.291 1
1 748 . 11 1 1 A 62 62 TYR CB C 62 37.513 38.404 -0.891 1
1 753 . 11 1 1 A 62 62 TYR N N 62 120.683 121.291 -0.608 1
1 754 . 11 1 1 A 63 63 PHE H H 63 7.982 8.022 -0.040 1
1 755 . 11 1 1 A 63 63 PHE HA H 63 3.932 4.002 -0.070 1
1 763 . 11 1 1 A 63 63 PHE CA C 63 63.262 62.302 0.960 1
1 764 . 11 1 1 A 63 63 PHE CB C 63 39.120 38.459 0.661 1
1 770 . 11 1 1 A 63 63 PHE N N 63 117.730 118.050 -0.320 1
1 771 . 11 1 1 A 64 64 GLU H H 64 8.554 8.266 0.288 1
1 772 . 11 1 1 A 64 64 GLU HA H 64 4.095 4.126 -0.031 1
1 777 . 11 1 1 A 64 64 GLU C C 64 178.921 179.415 -0.494 1
1 778 . 11 1 1 A 64 64 GLU CA C 64 59.322 59.388 -0.066 1
1 779 . 11 1 1 A 64 64 GLU CB C 64 29.670 29.133 0.537 1
1 781 . 11 1 1 A 64 64 GLU N N 64 121.392 119.890 1.502 1
1 782 . 11 1 1 A 65 65 LYS H H 65 7.850 7.862 -0.012 1
1 783 . 11 1 1 A 65 65 LYS HA H 65 3.982 4.052 -0.070 1
1 792 . 11 1 1 A 65 65 LYS C C 65 178.374 179.011 -0.637 1
1 793 . 11 1 1 A 65 65 LYS CA C 65 58.638 59.252 -0.614 1
1 794 . 11 1 1 A 65 65 LYS CB C 65 32.110 31.947 0.163 1
1 798 . 11 1 1 A 65 65 LYS N N 65 118.746 119.771 -1.025 1
1 799 . 11 1 1 A 66 66 LYS H H 66 7.503 7.722 -0.219 1
1 800 . 11 1 1 A 66 66 LYS HA H 66 3.880 3.791 0.089 1
1 809 . 11 1 1 A 66 66 LYS C C 66 177.925 179.466 -1.541 1
1 810 . 11 1 1 A 66 66 LYS CA C 66 58.590 59.998 -1.408 1
1 811 . 11 1 1 A 66 66 LYS CB C 66 32.560 32.046 0.514 1
1 815 . 11 1 1 A 66 66 LYS N N 66 119.241 119.790 -0.549 1
1 816 . 11 1 1 A 67 67 GLU H H 67 7.876 8.194 -0.318 1
1 817 . 11 1 1 A 67 67 GLU HA H 67 4.097 4.059 0.038 1
1 822 . 11 1 1 A 67 67 GLU C C 67 178.016 178.730 -0.714 1
1 823 . 11 1 1 A 67 67 GLU CA C 67 58.280 58.815 -0.535 1
1 824 . 11 1 1 A 67 67 GLU CB C 67 29.802 29.608 0.194 1
1 826 . 11 1 1 A 67 67 GLU N N 67 119.096 119.814 -0.718 1
1 827 . 11 1 1 A 68 68 VAL H H 68 7.719 7.446 0.273 1
1 828 . 11 1 1 A 68 68 VAL HA H 68 3.797 3.681 0.116 1
1 836 . 11 1 1 A 68 68 VAL C C 68 177.668 178.258 -0.590 1
1 837 . 11 1 1 A 68 68 VAL CA C 68 64.600 66.120 -1.520 1
1 838 . 11 1 1 A 68 68 VAL CB C 68 32.050 31.653 0.397 1
1 841 . 11 1 1 A 68 68 VAL N N 68 119.409 120.931 -1.522 1
1 842 . 11 1 1 A 69 69 LEU H H 69 7.911 8.340 -0.429 1
1 843 . 11 1 1 A 69 69 LEU HA H 69 4.127 3.794 0.333 1
1 853 . 11 1 1 A 69 69 LEU C C 69 178.438 178.774 -0.336 1
1 854 . 11 1 1 A 69 69 LEU CA C 69 56.461 58.424 -1.963 1
1 855 . 11 1 1 A 69 69 LEU CB C 69 42.153 41.385 0.768 1
1 859 . 11 1 1 A 69 69 LEU N N 69 122.199 119.889 2.310 1
1 14 . 12 1 1 A 2 2 LYS H H 2 8.383 8.748 -0.365 1
1 15 . 12 1 1 A 2 2 LYS HA H 2 4.314 4.957 -0.643 1
1 24 . 12 1 1 A 2 2 LYS C C 2 175.001 175.624 -0.623 1
1 25 . 12 1 1 A 2 2 LYS CA C 2 56.188 54.704 1.484 1
1 26 . 12 1 1 A 2 2 LYS CB C 2 33.481 35.456 -1.975 1
1 30 . 12 1 1 A 2 2 LYS N N 2 124.593 123.889 0.704 1
1 31 . 12 1 1 A 3 3 ILE H H 3 9.639 8.713 0.926 1
1 32 . 12 1 1 A 3 3 ILE HA H 3 4.510 4.393 0.117 1
1 42 . 12 1 1 A 3 3 ILE C C 3 176.337 175.748 0.589 1
1 43 . 12 1 1 A 3 3 ILE CA C 3 58.009 61.995 -3.986 1
1 44 . 12 1 1 A 3 3 ILE CB C 3 36.405 38.015 -1.610 1
1 48 . 12 1 1 A 3 3 ILE N N 3 124.160 127.719 -3.559 1
1 49 . 12 1 1 A 4 4 THR H H 4 7.637 8.149 -0.512 1
1 50 . 12 1 1 A 4 4 THR HA H 4 4.795 4.991 -0.196 1
1 55 . 12 1 1 A 4 4 THR C C 4 175.818 175.081 0.737 1
1 56 . 12 1 1 A 4 4 THR CA C 4 59.550 59.104 0.446 1
1 57 . 12 1 1 A 4 4 THR CB C 4 71.365 71.763 -0.398 1
1 59 . 12 1 1 A 4 4 THR N N 4 115.631 116.707 -1.076 1
1 60 . 12 1 1 A 5 5 LYS H H 5 9.100 8.992 0.108 1
1 61 . 12 1 1 A 5 5 LYS HA H 5 3.910 4.113 -0.203 1
1 70 . 12 1 1 A 5 5 LYS C C 5 173.504 178.400 -4.896 1
1 71 . 12 1 1 A 5 5 LYS CA C 5 58.730 58.511 0.219 1
1 72 . 12 1 1 A 5 5 LYS CB C 5 32.584 31.985 0.599 1
1 76 . 12 1 1 A 5 5 LYS N N 5 117.257 119.452 -2.195 1
1 77 . 12 1 1 A 6 6 ASP H H 6 8.542 7.910 0.632 1
1 78 . 12 1 1 A 6 6 ASP HA H 6 4.577 4.459 0.118 1
1 81 . 12 1 1 A 6 6 ASP C C 6 176.227 176.574 -0.347 1
1 82 . 12 1 1 A 6 6 ASP CA C 6 53.772 56.483 -2.711 1
1 83 . 12 1 1 A 6 6 ASP CB C 6 40.478 40.566 -0.088 1
1 84 . 12 1 1 A 6 6 ASP N N 6 115.528 120.035 -4.507 1
1 85 . 12 1 1 A 7 7 MET H H 7 7.545 7.695 -0.150 1
1 86 . 12 1 1 A 7 7 MET HA H 7 4.037 4.599 -0.562 1
1 94 . 12 1 1 A 7 7 MET C C 7 174.214 175.515 -1.301 1
1 95 . 12 1 1 A 7 7 MET CA C 7 57.578 55.193 2.385 1
1 96 . 12 1 1 A 7 7 MET CB C 7 33.295 34.096 -0.801 1
1 99 . 12 1 1 A 7 7 MET N N 7 119.925 118.758 1.167 1
1 100 . 12 1 1 A 8 8 ILE H H 8 8.721 8.685 0.036 1
1 101 . 12 1 1 A 8 8 ILE HA H 8 4.110 4.308 -0.198 1
1 111 . 12 1 1 A 8 8 ILE C C 8 178.731 175.985 2.746 1
1 112 . 12 1 1 A 8 8 ILE CA C 8 59.060 61.224 -2.164 1
1 113 . 12 1 1 A 8 8 ILE CB C 8 36.472 38.363 -1.891 1
1 117 . 12 1 1 A 8 8 ILE N N 8 121.085 121.711 -0.626 1
1 118 . 12 1 1 A 9 9 ILE H H 9 8.522 8.240 0.282 1
1 119 . 12 1 1 A 9 9 ILE HA H 9 3.238 3.571 -0.333 1
1 129 . 12 1 1 A 9 9 ILE C C 9 178.227 177.251 0.976 1
1 130 . 12 1 1 A 9 9 ILE CA C 9 67.720 65.325 2.395 1
1 131 . 12 1 1 A 9 9 ILE CB C 9 37.078 37.451 -0.373 1
1 135 . 12 1 1 A 9 9 ILE N N 9 128.907 124.812 4.095 1
1 136 . 12 1 1 A 10 10 ALA H H 10 8.578 8.519 0.059 1
1 137 . 12 1 1 A 10 10 ALA HA H 10 3.837 3.920 -0.083 1
1 141 . 12 1 1 A 10 10 ALA C C 10 179.790 178.567 1.223 1
1 142 . 12 1 1 A 10 10 ALA CA C 10 55.447 55.693 -0.246 1
1 143 . 12 1 1 A 10 10 ALA CB C 10 19.000 18.357 0.643 1
1 144 . 12 1 1 A 10 10 ALA N N 10 118.416 121.721 -3.305 1
1 145 . 12 1 1 A 11 11 ASP H H 11 7.100 8.145 -1.045 1
1 146 . 12 1 1 A 11 11 ASP HA H 11 4.380 4.337 0.043 1
1 149 . 12 1 1 A 11 11 ASP C C 11 178.903 178.560 0.343 1
1 150 . 12 1 1 A 11 11 ASP CA C 11 56.979 57.523 -0.544 1
1 151 . 12 1 1 A 11 11 ASP CB C 11 39.520 41.769 -2.249 1
1 152 . 12 1 1 A 11 11 ASP N N 11 116.224 118.473 -2.249 1
1 153 . 12 1 1 A 12 12 VAL H H 12 7.723 7.990 -0.267 1
1 154 . 12 1 1 A 12 12 VAL HA H 12 3.862 3.690 0.172 1
1 162 . 12 1 1 A 12 12 VAL C C 12 177.664 178.294 -0.630 1
1 163 . 12 1 1 A 12 12 VAL CA C 12 66.656 67.077 -0.421 1
1 164 . 12 1 1 A 12 12 VAL CB C 12 31.980 31.713 0.267 1
1 167 . 12 1 1 A 12 12 VAL N N 12 123.054 119.111 3.943 1
1 168 . 12 1 1 A 13 13 LEU H H 13 7.995 8.163 -0.168 1
1 169 . 12 1 1 A 13 13 LEU HA H 13 3.945 4.183 -0.238 1
1 179 . 12 1 1 A 13 13 LEU C C 13 175.458 179.661 -4.203 1
1 180 . 12 1 1 A 13 13 LEU CA C 13 57.259 58.032 -0.773 1
1 181 . 12 1 1 A 13 13 LEU CB C 13 42.140 40.615 1.525 1
1 185 . 12 1 1 A 13 13 LEU N N 13 118.291 119.741 -1.450 1
1 186 . 12 1 1 A 14 14 GLN H H 14 7.580 8.193 -0.613 1
1 187 . 12 1 1 A 14 14 GLN HA H 14 3.988 4.186 -0.198 1
1 194 . 12 1 1 A 14 14 GLN C C 14 178.311 178.826 -0.515 1
1 195 . 12 1 1 A 14 14 GLN CA C 14 57.659 58.854 -1.195 1
1 196 . 12 1 1 A 14 14 GLN CB C 14 28.700 28.285 0.415 1
1 198 . 12 1 1 A 14 14 GLN N N 14 114.621 117.773 -3.152 1
1 200 . 12 1 1 A 15 15 MET H H 15 7.675 7.682 -0.007 1
1 201 . 12 1 1 A 15 15 MET HA H 15 4.069 4.543 -0.474 1
1 209 . 12 1 1 A 15 15 MET C C 15 177.780 176.591 1.189 1
1 210 . 12 1 1 A 15 15 MET CA C 15 59.420 58.307 1.113 1
1 211 . 12 1 1 A 15 15 MET CB C 15 33.423 33.647 -0.224 1
1 214 . 12 1 1 A 15 15 MET N N 15 119.587 118.048 1.539 1
1 215 . 12 1 1 A 16 16 ASP H H 16 7.520 8.063 -0.543 1
1 216 . 12 1 1 A 16 16 ASP HA H 16 4.613 4.961 -0.348 1
1 219 . 12 1 1 A 16 16 ASP C C 16 175.706 175.798 -0.092 1
1 220 . 12 1 1 A 16 16 ASP CA C 16 55.090 53.949 1.141 1
1 221 . 12 1 1 A 16 16 ASP CB C 16 43.460 43.341 0.119 1
1 222 . 12 1 1 A 16 16 ASP N N 16 113.838 116.832 -2.994 1
1 223 . 12 1 1 A 17 17 ARG H H 17 9.352 8.899 0.453 1
1 224 . 12 1 1 A 17 17 ARG HA H 17 4.253 4.234 0.019 1
1 231 . 12 1 1 A 17 17 ARG C C 17 178.889 178.061 0.828 1
1 232 . 12 1 1 A 17 17 ARG CA C 17 58.566 58.766 -0.200 1
1 233 . 12 1 1 A 17 17 ARG CB C 17 29.280 29.998 -0.718 1
1 236 . 12 1 1 A 17 17 ARG N N 17 131.098 125.283 5.815 1
1 237 . 12 1 1 A 18 18 GLY H H 18 9.534 8.263 1.271 1
1 238 . 12 1 1 A 18 18 GLY HA2 H 18 3.857 3.866 -0.009 1
1 239 . 12 1 1 A 18 18 GLY HA3 H 18 3.946 3.965 -0.019 1
1 240 . 12 1 1 A 18 18 GLY C C 18 173.747 175.441 -1.694 1
1 241 . 12 1 1 A 18 18 GLY CA C 18 45.820 46.300 -0.480 1
1 242 . 12 1 1 A 18 18 GLY N N 18 111.218 108.191 3.027 1
1 243 . 12 1 1 A 19 19 THR H H 19 7.486 7.693 -0.207 1
1 244 . 12 1 1 A 19 19 THR HA H 19 3.293 3.621 -0.328 1
1 249 . 12 1 1 A 19 19 THR C C 19 177.067 176.471 0.596 1
1 250 . 12 1 1 A 19 19 THR CA C 19 63.090 63.828 -0.738 1
1 251 . 12 1 1 A 19 19 THR CB C 19 69.960 68.434 1.526 1
1 253 . 12 1 1 A 19 19 THR N N 19 106.889 111.972 -5.083 1
1 254 . 12 1 1 A 20 20 ALA H H 20 7.648 8.026 -0.378 1
1 255 . 12 1 1 A 20 20 ALA HA H 20 4.246 4.229 0.017 1
1 259 . 12 1 1 A 20 20 ALA CA C 20 57.780 57.110 0.670 1
1 260 . 12 1 1 A 20 20 ALA CB C 20 15.960 16.898 -0.938 1
1 261 . 12 1 1 A 20 20 ALA N N 20 125.258 125.691 -0.433 1
1 262 . 12 1 1 A 21 21 PRO HA H 21 4.169 4.322 -0.153 1
1 269 . 12 1 1 A 21 21 PRO C C 21 177.812 178.971 -1.159 1
1 270 . 12 1 1 A 21 21 PRO CA C 21 65.630 65.376 0.254 1
1 271 . 12 1 1 A 21 21 PRO CB C 21 31.220 31.012 0.208 1
1 274 . 12 1 1 A 22 22 ILE H H 22 7.120 6.966 0.154 1
1 275 . 12 1 1 A 22 22 ILE HA H 22 3.622 3.738 -0.116 1
1 285 . 12 1 1 A 22 22 ILE C C 22 179.561 177.851 1.710 1
1 286 . 12 1 1 A 22 22 ILE CA C 22 64.640 63.938 0.702 1
1 287 . 12 1 1 A 22 22 ILE CB C 22 37.200 37.309 -0.109 1
1 291 . 12 1 1 A 22 22 ILE N N 22 117.089 117.025 0.064 1
1 292 . 12 1 1 A 23 23 PHE H H 23 7.411 7.537 -0.126 1
1 293 . 12 1 1 A 23 23 PHE HA H 23 3.919 4.285 -0.366 1
1 301 . 12 1 1 A 23 23 PHE C C 23 178.486 178.183 0.303 1
1 302 . 12 1 1 A 23 23 PHE CA C 23 63.450 60.822 2.628 1
1 303 . 12 1 1 A 23 23 PHE CB C 23 38.740 38.601 0.139 1
1 309 . 12 1 1 A 23 23 PHE N N 23 118.753 118.752 0.001 1
1 310 . 12 1 1 A 24 24 ILE H H 24 8.077 8.549 -0.472 1
1 311 . 12 1 1 A 24 24 ILE HA H 24 3.503 3.592 -0.089 1
1 321 . 12 1 1 A 24 24 ILE C C 24 180.431 177.889 2.542 1
1 322 . 12 1 1 A 24 24 ILE CA C 24 64.997 65.763 -0.766 1
1 323 . 12 1 1 A 24 24 ILE CB C 24 38.110 37.861 0.249 1
1 327 . 12 1 1 A 24 24 ILE N N 24 120.410 119.928 0.482 1
1 328 . 12 1 1 A 25 25 ASN H H 25 8.971 8.614 0.357 1
1 329 . 12 1 1 A 25 25 ASN HA H 25 4.453 4.359 0.094 1
1 334 . 12 1 1 A 25 25 ASN C C 25 176.784 177.214 -0.430 1
1 335 . 12 1 1 A 25 25 ASN CA C 25 55.321 56.936 -1.615 1
1 336 . 12 1 1 A 25 25 ASN CB C 25 37.880 39.934 -2.054 1
1 337 . 12 1 1 A 25 25 ASN N N 25 120.191 119.576 0.615 1
1 339 . 12 1 1 A 26 26 ASN H H 26 7.315 7.862 -0.547 1
1 340 . 12 1 1 A 26 26 ASN HA H 26 4.601 4.748 -0.147 1
1 345 . 12 1 1 A 26 26 ASN C C 26 173.732 175.559 -1.827 1
1 346 . 12 1 1 A 26 26 ASN CA C 26 54.840 53.304 1.536 1
1 347 . 12 1 1 A 26 26 ASN CB C 26 40.890 38.933 1.957 1
1 348 . 12 1 1 A 26 26 ASN N N 26 116.500 114.778 1.722 1
1 350 . 12 1 1 A 27 27 GLY H H 27 7.880 8.129 -0.249 1
1 351 . 12 1 1 A 27 27 GLY HA2 H 27 4.305 3.770 0.535 1
1 352 . 12 1 1 A 27 27 GLY HA3 H 27 3.570 3.798 -0.228 1
1 353 . 12 1 1 A 27 27 GLY CA C 27 45.308 44.928 0.380 1
1 354 . 12 1 1 A 27 27 GLY N N 27 104.918 107.297 -2.379 1
1 355 . 12 1 1 A 28 28 MET H H 28 7.948 7.809 0.139 1
1 356 . 12 1 1 A 28 28 MET HA H 28 4.190 4.145 0.045 1
1 364 . 12 1 1 A 28 28 MET C C 28 174.147 174.282 -0.135 1
1 365 . 12 1 1 A 28 28 MET CA C 28 54.335 55.881 -1.546 1
1 366 . 12 1 1 A 28 28 MET CB C 28 31.978 33.034 -1.056 1
1 369 . 12 1 1 A 28 28 MET N N 28 120.940 120.465 0.475 1
1 370 . 12 1 1 A 29 29 HIS H H 29 7.994 8.769 -0.775 1
1 371 . 12 1 1 A 29 29 HIS HA H 29 4.592 4.987 -0.395 1
1 375 . 12 1 1 A 29 29 HIS C C 29 177.664 174.896 2.768 1
1 376 . 12 1 1 A 29 29 HIS CA C 29 56.178 54.194 1.984 1
1 377 . 12 1 1 A 29 29 HIS CB C 29 30.190 31.280 -1.090 1
1 378 . 12 1 1 A 29 29 HIS N N 29 121.779 119.411 2.368 1
1 379 . 12 1 1 A 30 30 CYS H H 30 7.867 8.961 -1.094 1
1 380 . 12 1 1 A 30 30 CYS HA H 30 4.555 4.229 0.326 1
1 383 . 12 1 1 A 30 30 CYS C C 30 174.265 174.331 -0.066 1
1 384 . 12 1 1 A 30 30 CYS CA C 30 57.398 60.357 -2.959 1
1 385 . 12 1 1 A 30 30 CYS CB C 30 28.234 28.386 -0.152 1
1 386 . 12 1 1 A 30 30 CYS N N 30 116.200 122.763 -6.563 1
1 387 . 12 1 1 A 31 31 LEU H H 31 7.845 7.786 0.059 1
1 388 . 12 1 1 A 31 31 LEU HA H 31 4.045 4.242 -0.197 1
1 398 . 12 1 1 A 31 31 LEU C C 31 177.285 176.741 0.544 1
1 399 . 12 1 1 A 31 31 LEU CA C 31 56.415 55.719 0.696 1
1 400 . 12 1 1 A 31 31 LEU CB C 31 41.172 41.888 -0.716 1
1 404 . 12 1 1 A 31 31 LEU N N 31 122.518 122.308 0.210 1
1 405 . 12 1 1 A 32 32 GLY H H 32 8.292 8.411 -0.119 1
1 406 . 12 1 1 A 32 32 GLY HA2 H 32 3.852 4.184 -0.332 1
1 407 . 12 1 1 A 32 32 GLY HA3 H 32 3.852 4.197 -0.345 1
1 408 . 12 1 1 A 32 32 GLY C C 32 173.868 172.922 0.946 1
1 409 . 12 1 1 A 32 32 GLY CA C 32 45.182 45.870 -0.688 1
1 410 . 12 1 1 A 32 32 GLY N N 32 108.193 112.130 -3.937 1
1 411 . 12 1 1 A 33 33 CYS H H 33 7.747 8.258 -0.511 1
1 412 . 12 1 1 A 33 33 CYS HA H 33 4.826 5.114 -0.288 1
1 415 . 12 1 1 A 33 33 CYS CA C 33 56.005 56.555 -0.550 1
1 416 . 12 1 1 A 33 33 CYS CB C 33 27.330 29.844 -2.514 1
1 417 . 12 1 1 A 33 33 CYS N N 33 120.574 120.465 0.109 1
1 418 . 12 1 1 A 34 34 PRO HA H 34 4.179 4.354 -0.175 1
1 425 . 12 1 1 A 34 34 PRO C C 34 178.582 177.774 0.808 1
1 426 . 12 1 1 A 34 34 PRO CA C 34 65.610 64.282 1.328 1
1 427 . 12 1 1 A 34 34 PRO CB C 34 32.071 31.790 0.281 1
1 430 . 12 1 1 A 35 35 SER H H 35 8.315 8.368 -0.053 1
1 431 . 12 1 1 A 35 35 SER HA H 35 4.209 4.190 0.019 1
1 434 . 12 1 1 A 35 35 SER C C 35 177.910 176.259 1.651 1
1 435 . 12 1 1 A 35 35 SER CA C 35 60.704 61.465 -0.761 1
1 436 . 12 1 1 A 35 35 SER CB C 35 62.590 62.841 -0.251 1
1 437 . 12 1 1 A 35 35 SER N N 35 112.899 114.458 -1.559 1
1 438 . 12 1 1 A 36 36 SER H H 36 7.903 7.732 0.171 1
1 439 . 12 1 1 A 36 36 SER HA H 36 4.432 4.284 0.148 1
1 442 . 12 1 1 A 36 36 SER C C 36 175.084 174.951 0.133 1
1 443 . 12 1 1 A 36 36 SER CA C 36 60.336 61.227 -0.891 1
1 444 . 12 1 1 A 36 36 SER CB C 36 63.920 63.031 0.889 1
1 445 . 12 1 1 A 36 36 SER N N 36 117.747 117.537 0.210 1
1 446 . 12 1 1 A 37 37 MET H H 37 7.646 7.869 -0.223 1
1 447 . 12 1 1 A 37 37 MET HA H 37 4.114 4.434 -0.320 1
1 455 . 12 1 1 A 37 37 MET C C 37 175.617 178.231 -2.614 1
1 456 . 12 1 1 A 37 37 MET CA C 37 56.922 56.498 0.424 1
1 457 . 12 1 1 A 37 37 MET CB C 37 32.891 34.024 -1.133 1
1 460 . 12 1 1 A 37 37 MET N N 37 117.790 118.832 -1.042 1
1 461 . 12 1 1 A 38 38 GLY H H 38 7.742 8.313 -0.571 1
1 462 . 12 1 1 A 38 38 GLY HA2 H 38 4.156 3.901 0.255 1
1 463 . 12 1 1 A 38 38 GLY HA3 H 38 3.623 3.908 -0.285 1
1 464 . 12 1 1 A 38 38 GLY C C 38 174.147 174.443 -0.296 1
1 465 . 12 1 1 A 38 38 GLY CA C 38 45.260 46.086 -0.826 1
1 466 . 12 1 1 A 38 38 GLY N N 38 104.897 107.659 -2.762 1
1 467 . 12 1 1 A 39 39 GLU H H 39 7.288 7.325 -0.037 1
1 468 . 12 1 1 A 39 39 GLU HA H 39 4.539 4.681 -0.142 1
1 473 . 12 1 1 A 39 39 GLU C C 39 173.845 176.156 -2.311 1
1 474 . 12 1 1 A 39 39 GLU CA C 39 54.885 55.316 -0.431 1
1 475 . 12 1 1 A 39 39 GLU CB C 39 31.980 30.811 1.169 1
1 477 . 12 1 1 A 39 39 GLU N N 39 119.469 120.765 -1.296 1
1 478 . 12 1 1 A 40 40 SER H H 40 9.174 8.914 0.260 1
1 479 . 12 1 1 A 40 40 SER HA H 40 4.847 4.806 0.041 1
1 482 . 12 1 1 A 40 40 SER C C 40 175.082 175.830 -0.748 1
1 483 . 12 1 1 A 40 40 SER CA C 40 56.757 58.852 -2.095 1
1 484 . 12 1 1 A 40 40 SER CB C 40 65.397 63.847 1.550 1
1 485 . 12 1 1 A 40 40 SER N N 40 115.819 117.214 -1.395 1
1 486 . 12 1 1 A 41 41 ILE H H 41 8.739 9.072 -0.333 1
1 487 . 12 1 1 A 41 41 ILE HA H 41 3.512 3.811 -0.299 1
1 497 . 12 1 1 A 41 41 ILE C C 41 178.832 177.762 1.070 1
1 498 . 12 1 1 A 41 41 ILE CA C 41 67.190 65.613 1.577 1
1 499 . 12 1 1 A 41 41 ILE CB C 41 38.460 38.124 0.336 1
1 503 . 12 1 1 A 41 41 ILE N N 41 121.236 124.515 -3.279 1
1 504 . 12 1 1 A 42 42 GLU H H 42 8.932 8.565 0.367 1
1 505 . 12 1 1 A 42 42 GLU HA H 42 3.826 4.085 -0.259 1
1 510 . 12 1 1 A 42 42 GLU C C 42 178.134 178.444 -0.310 1
1 511 . 12 1 1 A 42 42 GLU CA C 42 59.860 59.115 0.745 1
1 512 . 12 1 1 A 42 42 GLU CB C 42 29.286 28.969 0.317 1
1 514 . 12 1 1 A 42 42 GLU N N 42 117.512 120.131 -2.619 1
1 515 . 12 1 1 A 43 43 ASP H H 43 8.090 8.155 -0.065 1
1 516 . 12 1 1 A 43 43 ASP HA H 43 4.428 4.362 0.066 1
1 519 . 12 1 1 A 43 43 ASP C C 43 179.021 177.962 1.059 1
1 520 . 12 1 1 A 43 43 ASP CA C 43 57.460 57.439 0.021 1
1 521 . 12 1 1 A 43 43 ASP CB C 43 39.485 41.147 -1.662 1
1 522 . 12 1 1 A 43 43 ASP N N 43 122.750 120.775 1.975 1
1 523 . 12 1 1 A 44 44 ALA H H 44 8.807 8.315 0.492 1
1 524 . 12 1 1 A 44 44 ALA HA H 44 4.242 4.116 0.126 1
1 528 . 12 1 1 A 44 44 ALA C C 44 181.423 179.786 1.637 1
1 529 . 12 1 1 A 44 44 ALA CA C 44 55.260 55.099 0.161 1
1 530 . 12 1 1 A 44 44 ALA CB C 44 19.775 18.085 1.690 1
1 531 . 12 1 1 A 44 44 ALA N N 44 123.434 120.980 2.454 1
1 532 . 12 1 1 A 45 45 CYS H H 45 8.663 8.400 0.263 1
1 533 . 12 1 1 A 45 45 CYS HA H 45 4.039 4.201 -0.162 1
1 536 . 12 1 1 A 45 45 CYS C C 45 176.954 177.344 -0.390 1
1 537 . 12 1 1 A 45 45 CYS CA C 45 65.300 63.039 2.261 1
1 538 . 12 1 1 A 45 45 CYS CB C 45 26.940 26.525 0.415 1
1 539 . 12 1 1 A 45 45 CYS N N 45 115.424 116.290 -0.866 1
1 540 . 12 1 1 A 46 46 ALA H H 46 7.844 8.292 -0.448 1
1 541 . 12 1 1 A 46 46 ALA HA H 46 4.274 4.068 0.206 1
1 545 . 12 1 1 A 46 46 ALA C C 46 180.730 179.998 0.732 1
1 546 . 12 1 1 A 46 46 ALA CA C 46 55.127 55.263 -0.136 1
1 547 . 12 1 1 A 46 46 ALA CB C 46 18.020 18.524 -0.504 1
1 548 . 12 1 1 A 46 46 ALA N N 46 122.366 122.767 -0.401 1
1 549 . 12 1 1 A 47 47 VAL H H 47 7.503 7.871 -0.368 1
1 550 . 12 1 1 A 47 47 VAL HA H 47 3.690 3.640 0.050 1
1 558 . 12 1 1 A 47 47 VAL C C 47 177.652 177.294 0.358 1
1 559 . 12 1 1 A 47 47 VAL CA C 47 65.530 66.267 -0.737 1
1 560 . 12 1 1 A 47 47 VAL CB C 47 32.140 31.515 0.625 1
1 563 . 12 1 1 A 47 47 VAL N N 47 116.850 118.735 -1.885 1
1 564 . 12 1 1 A 48 48 HIS H H 48 7.496 7.526 -0.030 1
1 565 . 12 1 1 A 48 48 HIS HA H 48 4.629 4.681 -0.052 1
1 569 . 12 1 1 A 48 48 HIS C C 48 174.865 174.963 -0.098 1
1 570 . 12 1 1 A 48 48 HIS CA C 48 56.985 55.925 1.060 1
1 571 . 12 1 1 A 48 48 HIS CB C 48 31.033 30.021 1.012 1
1 573 . 12 1 1 A 48 48 HIS N N 48 114.271 116.301 -2.030 1
1 574 . 12 1 1 A 49 49 GLY H H 49 7.846 7.946 -0.100 1
1 575 . 12 1 1 A 49 49 GLY HA2 H 49 4.002 3.904 0.098 1
1 576 . 12 1 1 A 49 49 GLY HA3 H 49 4.002 3.912 0.090 1
1 577 . 12 1 1 A 49 49 GLY C C 49 174.536 174.813 -0.277 1
1 578 . 12 1 1 A 49 49 GLY CA C 49 47.189 46.475 0.714 1
1 579 . 12 1 1 A 49 49 GLY N N 49 110.669 109.430 1.239 1
1 580 . 12 1 1 A 50 50 ILE H H 50 8.126 8.605 -0.479 1
1 581 . 12 1 1 A 50 50 ILE HA H 50 4.295 4.168 0.127 1
1 591 . 12 1 1 A 50 50 ILE C C 50 175.038 175.362 -0.324 1
1 592 . 12 1 1 A 50 50 ILE CA C 50 59.759 60.888 -1.129 1
1 593 . 12 1 1 A 50 50 ILE CB C 50 41.222 38.581 2.641 1
1 597 . 12 1 1 A 50 50 ILE N N 50 119.905 121.975 -2.070 1
1 598 . 12 1 1 A 51 51 ASP H H 51 8.497 8.524 -0.027 1
1 599 . 12 1 1 A 51 51 ASP HA H 51 4.523 4.784 -0.261 1
1 602 . 12 1 1 A 51 51 ASP C C 51 175.978 176.600 -0.622 1
1 603 . 12 1 1 A 51 51 ASP CA C 51 54.100 52.864 1.236 1
1 604 . 12 1 1 A 51 51 ASP CB C 51 40.990 40.464 0.526 1
1 605 . 12 1 1 A 51 51 ASP N N 51 124.951 126.011 -1.060 1
1 606 . 12 1 1 A 52 52 ALA H H 52 8.791 8.990 -0.199 1
1 607 . 12 1 1 A 52 52 ALA HA H 52 4.329 4.060 0.269 1
1 611 . 12 1 1 A 52 52 ALA CA C 52 55.070 55.103 -0.033 1
1 612 . 12 1 1 A 52 52 ALA CB C 52 19.480 18.303 1.177 1
1 613 . 12 1 1 A 52 52 ALA N N 52 131.766 129.013 2.753 1
1 614 . 12 1 1 A 53 53 ASP H H 53 8.082 8.182 -0.100 1
1 615 . 12 1 1 A 53 53 ASP HA H 53 4.321 4.341 -0.020 1
1 618 . 12 1 1 A 53 53 ASP CA C 53 57.500 58.261 -0.761 1
1 619 . 12 1 1 A 53 53 ASP CB C 53 39.940 42.215 -2.275 1
1 620 . 12 1 1 A 53 53 ASP N N 53 116.960 118.671 -1.711 1
1 621 . 12 1 1 A 54 54 LYS H H 54 7.762 7.646 0.116 1
1 622 . 12 1 1 A 54 54 LYS HA H 54 3.958 4.102 -0.144 1
1 631 . 12 1 1 A 54 54 LYS C C 54 177.748 178.710 -0.962 1
1 632 . 12 1 1 A 54 54 LYS CA C 54 59.355 59.347 0.008 1
1 633 . 12 1 1 A 54 54 LYS CB C 54 32.920 32.269 0.651 1
1 637 . 12 1 1 A 54 54 LYS N N 54 123.420 118.584 4.836 1
1 638 . 12 1 1 A 55 55 LEU H H 55 7.337 7.998 -0.661 1
1 639 . 12 1 1 A 55 55 LEU HA H 55 3.822 3.943 -0.121 1
1 649 . 12 1 1 A 55 55 LEU C C 55 177.966 178.403 -0.437 1
1 650 . 12 1 1 A 55 55 LEU CA C 55 58.258 58.345 -0.087 1
1 651 . 12 1 1 A 55 55 LEU CB C 55 41.908 41.378 0.530 1
1 655 . 12 1 1 A 55 55 LEU N N 55 119.522 121.834 -2.312 1
1 656 . 12 1 1 A 56 56 VAL H H 56 8.503 8.460 0.043 1
1 657 . 12 1 1 A 56 56 VAL HA H 56 3.378 3.473 -0.095 1
1 665 . 12 1 1 A 56 56 VAL C C 56 177.576 177.555 0.021 1
1 666 . 12 1 1 A 56 56 VAL CA C 56 67.460 66.788 0.672 1
1 667 . 12 1 1 A 56 56 VAL CB C 56 31.560 31.278 0.282 1
1 670 . 12 1 1 A 56 56 VAL N N 56 117.548 119.242 -1.694 1
1 671 . 12 1 1 A 57 57 LYS H H 57 8.003 7.566 0.437 1
1 672 . 12 1 1 A 57 57 LYS HA H 57 4.200 3.956 0.244 1
1 681 . 12 1 1 A 57 57 LYS C C 57 179.196 179.355 -0.159 1
1 682 . 12 1 1 A 57 57 LYS CA C 57 60.130 59.854 0.276 1
1 683 . 12 1 1 A 57 57 LYS CB C 57 32.383 31.975 0.408 1
1 687 . 12 1 1 A 57 57 LYS N N 57 122.289 118.780 3.509 1
1 688 . 12 1 1 A 58 58 GLU H H 58 8.035 8.173 -0.138 1
1 689 . 12 1 1 A 58 58 GLU HA H 58 4.010 4.011 -0.001 1
1 694 . 12 1 1 A 58 58 GLU CA C 58 59.975 58.986 0.989 1
1 695 . 12 1 1 A 58 58 GLU CB C 58 29.430 29.271 0.159 1
1 697 . 12 1 1 A 58 58 GLU N N 58 119.482 120.530 -1.048 1
1 698 . 12 1 1 A 59 59 LEU H H 59 8.560 8.259 0.301 1
1 699 . 12 1 1 A 59 59 LEU HA H 59 3.998 4.039 -0.041 1
1 709 . 12 1 1 A 59 59 LEU C C 59 178.239 179.184 -0.945 1
1 710 . 12 1 1 A 59 59 LEU CA C 59 58.200 57.901 0.299 1
1 711 . 12 1 1 A 59 59 LEU CB C 59 42.695 41.563 1.132 1
1 715 . 12 1 1 A 59 59 LEU N N 59 121.725 120.247 1.478 1
1 716 . 12 1 1 A 60 60 ASN H H 60 8.684 8.794 -0.110 1
1 717 . 12 1 1 A 60 60 ASN HA H 60 4.806 4.537 0.269 1
1 722 . 12 1 1 A 60 60 ASN C C 60 178.495 178.190 0.305 1
1 723 . 12 1 1 A 60 60 ASN CA C 60 57.895 56.614 1.281 1
1 724 . 12 1 1 A 60 60 ASN CB C 60 38.528 38.006 0.522 1
1 725 . 12 1 1 A 60 60 ASN N N 60 117.410 117.898 -0.488 1
1 727 . 12 1 1 A 61 61 GLU H H 61 8.602 8.068 0.534 1
1 728 . 12 1 1 A 61 61 GLU HA H 61 4.040 4.042 -0.002 1
1 733 . 12 1 1 A 61 61 GLU C C 61 178.325 178.632 -0.307 1
1 734 . 12 1 1 A 61 61 GLU CA C 61 59.814 59.535 0.279 1
1 735 . 12 1 1 A 61 61 GLU CB C 61 29.610 29.402 0.208 1
1 737 . 12 1 1 A 61 61 GLU N N 61 121.480 119.544 1.936 1
1 738 . 12 1 1 A 62 62 TYR H H 62 7.698 7.561 0.137 1
1 739 . 12 1 1 A 62 62 TYR HA H 62 3.978 4.130 -0.152 1
1 746 . 12 1 1 A 62 62 TYR C C 62 177.947 177.425 0.522 1
1 747 . 12 1 1 A 62 62 TYR CA C 62 61.600 61.482 0.118 1
1 748 . 12 1 1 A 62 62 TYR CB C 62 37.513 38.395 -0.882 1
1 753 . 12 1 1 A 62 62 TYR N N 62 120.683 121.239 -0.556 1
1 754 . 12 1 1 A 63 63 PHE H H 63 7.982 7.952 0.030 1
1 755 . 12 1 1 A 63 63 PHE HA H 63 3.932 4.099 -0.167 1
1 763 . 12 1 1 A 63 63 PHE CA C 63 63.262 62.415 0.847 1
1 764 . 12 1 1 A 63 63 PHE CB C 63 39.120 38.490 0.630 1
1 770 . 12 1 1 A 63 63 PHE N N 63 117.730 117.946 -0.216 1
1 771 . 12 1 1 A 64 64 GLU H H 64 8.554 7.989 0.565 1
1 772 . 12 1 1 A 64 64 GLU HA H 64 4.095 4.116 -0.021 1
1 777 . 12 1 1 A 64 64 GLU C C 64 178.921 179.391 -0.470 1
1 778 . 12 1 1 A 64 64 GLU CA C 64 59.322 59.526 -0.204 1
1 779 . 12 1 1 A 64 64 GLU CB C 64 29.670 29.118 0.552 1
1 781 . 12 1 1 A 64 64 GLU N N 64 121.392 120.213 1.179 1
1 782 . 12 1 1 A 65 65 LYS H H 65 7.850 8.003 -0.153 1
1 783 . 12 1 1 A 65 65 LYS HA H 65 3.982 4.075 -0.093 1
1 792 . 12 1 1 A 65 65 LYS C C 65 178.374 178.991 -0.617 1
1 793 . 12 1 1 A 65 65 LYS CA C 65 58.638 59.300 -0.662 1
1 794 . 12 1 1 A 65 65 LYS CB C 65 32.110 32.163 -0.053 1
1 798 . 12 1 1 A 65 65 LYS N N 65 118.746 120.118 -1.372 1
1 799 . 12 1 1 A 66 66 LYS H H 66 7.503 7.993 -0.490 1
1 800 . 12 1 1 A 66 66 LYS HA H 66 3.880 3.763 0.117 1
1 809 . 12 1 1 A 66 66 LYS C C 66 177.925 179.534 -1.609 1
1 810 . 12 1 1 A 66 66 LYS CA C 66 58.590 59.614 -1.024 1
1 811 . 12 1 1 A 66 66 LYS CB C 66 32.560 32.048 0.512 1
1 815 . 12 1 1 A 66 66 LYS N N 66 119.241 119.634 -0.393 1
1 816 . 12 1 1 A 67 67 GLU H H 67 7.876 8.073 -0.197 1
1 817 . 12 1 1 A 67 67 GLU HA H 67 4.097 4.076 0.021 1
1 822 . 12 1 1 A 67 67 GLU C C 67 178.016 177.604 0.412 1
1 823 . 12 1 1 A 67 67 GLU CA C 67 58.280 58.543 -0.263 1
1 824 . 12 1 1 A 67 67 GLU CB C 67 29.802 29.449 0.353 1
1 826 . 12 1 1 A 67 67 GLU N N 67 119.096 119.371 -0.275 1
1 827 . 12 1 1 A 68 68 VAL H H 68 7.719 7.501 0.218 1
1 828 . 12 1 1 A 68 68 VAL HA H 68 3.797 3.836 -0.039 1
1 836 . 12 1 1 A 68 68 VAL C C 68 177.668 178.043 -0.375 1
1 837 . 12 1 1 A 68 68 VAL CA C 68 64.600 64.939 -0.339 1
1 838 . 12 1 1 A 68 68 VAL CB C 68 32.050 32.053 -0.003 1
1 841 . 12 1 1 A 68 68 VAL N N 68 119.409 119.347 0.062 1
1 842 . 12 1 1 A 69 69 LEU H H 69 7.911 8.401 -0.490 1
1 843 . 12 1 1 A 69 69 LEU HA H 69 4.127 3.871 0.256 1
1 853 . 12 1 1 A 69 69 LEU C C 69 178.438 178.792 -0.354 1
1 854 . 12 1 1 A 69 69 LEU CA C 69 56.461 58.244 -1.783 1
1 855 . 12 1 1 A 69 69 LEU CB C 69 42.153 41.560 0.593 1
1 859 . 12 1 1 A 69 69 LEU N N 69 122.199 119.483 2.716 1
1 14 . 13 1 1 A 2 2 LYS H H 2 8.383 8.396 -0.013 1
1 15 . 13 1 1 A 2 2 LYS HA H 2 4.314 4.814 -0.500 1
1 24 . 13 1 1 A 2 2 LYS C C 2 175.001 175.296 -0.295 1
1 25 . 13 1 1 A 2 2 LYS CA C 2 56.188 55.077 1.111 1
1 26 . 13 1 1 A 2 2 LYS CB C 2 33.481 33.481 0.000 1
1 30 . 13 1 1 A 2 2 LYS N N 2 124.593 123.689 0.904 1
1 31 . 13 1 1 A 3 3 ILE H H 3 9.639 8.757 0.882 1
1 32 . 13 1 1 A 3 3 ILE HA H 3 4.510 4.398 0.112 1
1 42 . 13 1 1 A 3 3 ILE C C 3 176.337 175.742 0.595 1
1 43 . 13 1 1 A 3 3 ILE CA C 3 58.009 62.122 -4.113 1
1 44 . 13 1 1 A 3 3 ILE CB C 3 36.405 37.922 -1.517 1
1 48 . 13 1 1 A 3 3 ILE N N 3 124.160 127.666 -3.506 1
1 49 . 13 1 1 A 4 4 THR H H 4 7.637 8.121 -0.484 1
1 50 . 13 1 1 A 4 4 THR HA H 4 4.795 4.968 -0.173 1
1 55 . 13 1 1 A 4 4 THR C C 4 175.818 175.768 0.050 1
1 56 . 13 1 1 A 4 4 THR CA C 4 59.550 59.073 0.477 1
1 57 . 13 1 1 A 4 4 THR CB C 4 71.365 71.932 -0.567 1
1 59 . 13 1 1 A 4 4 THR N N 4 115.631 116.673 -1.042 1
1 60 . 13 1 1 A 5 5 LYS H H 5 9.100 8.925 0.175 1
1 61 . 13 1 1 A 5 5 LYS HA H 5 3.910 4.136 -0.226 1
1 70 . 13 1 1 A 5 5 LYS C C 5 173.504 177.598 -4.094 1
1 71 . 13 1 1 A 5 5 LYS CA C 5 58.730 58.784 -0.054 1
1 72 . 13 1 1 A 5 5 LYS CB C 5 32.584 31.958 0.626 1
1 76 . 13 1 1 A 5 5 LYS N N 5 117.257 119.935 -2.678 1
1 77 . 13 1 1 A 6 6 ASP H H 6 8.542 8.266 0.276 1
1 78 . 13 1 1 A 6 6 ASP HA H 6 4.577 4.597 -0.020 1
1 81 . 13 1 1 A 6 6 ASP C C 6 176.227 176.689 -0.462 1
1 82 . 13 1 1 A 6 6 ASP CA C 6 53.772 54.632 -0.860 1
1 83 . 13 1 1 A 6 6 ASP CB C 6 40.478 39.947 0.531 1
1 84 . 13 1 1 A 6 6 ASP N N 6 115.528 116.527 -0.999 1
1 85 . 13 1 1 A 7 7 MET H H 7 7.545 7.898 -0.353 1
1 86 . 13 1 1 A 7 7 MET HA H 7 4.037 4.653 -0.616 1
1 94 . 13 1 1 A 7 7 MET C C 7 174.214 175.830 -1.616 1
1 95 . 13 1 1 A 7 7 MET CA C 7 57.578 55.136 2.442 1
1 96 . 13 1 1 A 7 7 MET CB C 7 33.295 33.510 -0.215 1
1 99 . 13 1 1 A 7 7 MET N N 7 119.925 119.629 0.296 1
1 100 . 13 1 1 A 8 8 ILE H H 8 8.721 8.626 0.095 1
1 101 . 13 1 1 A 8 8 ILE HA H 8 4.110 4.064 0.046 1
1 111 . 13 1 1 A 8 8 ILE C C 8 178.731 176.204 2.527 1
1 112 . 13 1 1 A 8 8 ILE CA C 8 59.060 61.590 -2.530 1
1 113 . 13 1 1 A 8 8 ILE CB C 8 36.472 37.836 -1.364 1
1 117 . 13 1 1 A 8 8 ILE N N 8 121.085 123.214 -2.129 1
1 118 . 13 1 1 A 9 9 ILE H H 9 8.522 8.304 0.218 1
1 119 . 13 1 1 A 9 9 ILE HA H 9 3.238 3.610 -0.372 1
1 129 . 13 1 1 A 9 9 ILE C C 9 178.227 177.158 1.069 1
1 130 . 13 1 1 A 9 9 ILE CA C 9 67.720 65.192 2.528 1
1 131 . 13 1 1 A 9 9 ILE CB C 9 37.078 37.414 -0.336 1
1 135 . 13 1 1 A 9 9 ILE N N 9 128.907 124.780 4.127 1
1 136 . 13 1 1 A 10 10 ALA H H 10 8.578 8.264 0.314 1
1 137 . 13 1 1 A 10 10 ALA HA H 10 3.837 3.913 -0.076 1
1 141 . 13 1 1 A 10 10 ALA C C 10 179.790 179.246 0.544 1
1 142 . 13 1 1 A 10 10 ALA CA C 10 55.447 55.646 -0.199 1
1 143 . 13 1 1 A 10 10 ALA CB C 10 19.000 18.193 0.807 1
1 144 . 13 1 1 A 10 10 ALA N N 10 118.416 121.717 -3.301 1
1 145 . 13 1 1 A 11 11 ASP H H 11 7.100 8.141 -1.041 1
1 146 . 13 1 1 A 11 11 ASP HA H 11 4.380 4.366 0.014 1
1 149 . 13 1 1 A 11 11 ASP C C 11 178.903 178.624 0.279 1
1 150 . 13 1 1 A 11 11 ASP CA C 11 56.979 57.551 -0.572 1
1 151 . 13 1 1 A 11 11 ASP CB C 11 39.520 41.374 -1.854 1
1 152 . 13 1 1 A 11 11 ASP N N 11 116.224 118.758 -2.534 1
1 153 . 13 1 1 A 12 12 VAL H H 12 7.723 8.257 -0.534 1
1 154 . 13 1 1 A 12 12 VAL HA H 12 3.862 3.741 0.121 1
1 162 . 13 1 1 A 12 12 VAL C C 12 177.664 178.226 -0.562 1
1 163 . 13 1 1 A 12 12 VAL CA C 12 66.656 66.846 -0.190 1
1 164 . 13 1 1 A 12 12 VAL CB C 12 31.980 31.620 0.360 1
1 167 . 13 1 1 A 12 12 VAL N N 12 123.054 119.813 3.241 1
1 168 . 13 1 1 A 13 13 LEU H H 13 7.995 8.368 -0.373 1
1 169 . 13 1 1 A 13 13 LEU HA H 13 3.945 4.118 -0.173 1
1 179 . 13 1 1 A 13 13 LEU C C 13 175.458 179.133 -3.675 1
1 180 . 13 1 1 A 13 13 LEU CA C 13 57.259 58.081 -0.822 1
1 181 . 13 1 1 A 13 13 LEU CB C 13 42.140 40.966 1.174 1
1 185 . 13 1 1 A 13 13 LEU N N 13 118.291 120.071 -1.780 1
1 186 . 13 1 1 A 14 14 GLN H H 14 7.580 8.221 -0.641 1
1 187 . 13 1 1 A 14 14 GLN HA H 14 3.988 4.325 -0.337 1
1 194 . 13 1 1 A 14 14 GLN C C 14 178.311 178.857 -0.546 1
1 195 . 13 1 1 A 14 14 GLN CA C 14 57.659 58.393 -0.734 1
1 196 . 13 1 1 A 14 14 GLN CB C 14 28.700 28.427 0.273 1
1 198 . 13 1 1 A 14 14 GLN N N 14 114.621 117.573 -2.952 1
1 200 . 13 1 1 A 15 15 MET H H 15 7.675 7.540 0.135 1
1 201 . 13 1 1 A 15 15 MET HA H 15 4.069 4.426 -0.357 1
1 209 . 13 1 1 A 15 15 MET C C 15 177.780 176.355 1.425 1
1 210 . 13 1 1 A 15 15 MET CA C 15 59.420 58.492 0.928 1
1 211 . 13 1 1 A 15 15 MET CB C 15 33.423 33.950 -0.527 1
1 214 . 13 1 1 A 15 15 MET N N 15 119.587 117.734 1.853 1
1 215 . 13 1 1 A 16 16 ASP H H 16 7.520 7.988 -0.468 1
1 216 . 13 1 1 A 16 16 ASP HA H 16 4.613 5.046 -0.433 1
1 219 . 13 1 1 A 16 16 ASP C C 16 175.706 175.792 -0.086 1
1 220 . 13 1 1 A 16 16 ASP CA C 16 55.090 53.432 1.658 1
1 221 . 13 1 1 A 16 16 ASP CB C 16 43.460 43.322 0.138 1
1 222 . 13 1 1 A 16 16 ASP N N 16 113.838 116.721 -2.883 1
1 223 . 13 1 1 A 17 17 ARG H H 17 9.352 8.913 0.439 1
1 224 . 13 1 1 A 17 17 ARG HA H 17 4.253 4.217 0.036 1
1 231 . 13 1 1 A 17 17 ARG C C 17 178.889 177.959 0.930 1
1 232 . 13 1 1 A 17 17 ARG CA C 17 58.566 58.762 -0.196 1
1 233 . 13 1 1 A 17 17 ARG CB C 17 29.280 30.017 -0.737 1
1 236 . 13 1 1 A 17 17 ARG N N 17 131.098 125.484 5.614 1
1 237 . 13 1 1 A 18 18 GLY H H 18 9.534 8.244 1.290 1
1 238 . 13 1 1 A 18 18 GLY HA2 H 18 3.857 3.828 0.029 1
1 239 . 13 1 1 A 18 18 GLY HA3 H 18 3.946 3.898 0.048 1
1 240 . 13 1 1 A 18 18 GLY C C 18 173.747 175.390 -1.643 1
1 241 . 13 1 1 A 18 18 GLY CA C 18 45.820 46.121 -0.301 1
1 242 . 13 1 1 A 18 18 GLY N N 18 111.218 108.170 3.048 1
1 243 . 13 1 1 A 19 19 THR H H 19 7.486 7.678 -0.192 1
1 244 . 13 1 1 A 19 19 THR HA H 19 3.293 3.654 -0.361 1
1 249 . 13 1 1 A 19 19 THR C C 19 177.067 176.882 0.185 1
1 250 . 13 1 1 A 19 19 THR CA C 19 63.090 64.095 -1.005 1
1 251 . 13 1 1 A 19 19 THR CB C 19 69.960 68.285 1.675 1
1 253 . 13 1 1 A 19 19 THR N N 19 106.889 112.455 -5.566 1
1 254 . 13 1 1 A 20 20 ALA H H 20 7.648 8.261 -0.613 1
1 255 . 13 1 1 A 20 20 ALA HA H 20 4.246 4.361 -0.115 1
1 259 . 13 1 1 A 20 20 ALA CA C 20 57.780 57.114 0.666 1
1 260 . 13 1 1 A 20 20 ALA CB C 20 15.960 17.201 -1.241 1
1 261 . 13 1 1 A 20 20 ALA N N 20 125.258 124.985 0.273 1
1 262 . 13 1 1 A 21 21 PRO HA H 21 4.169 4.321 -0.152 1
1 269 . 13 1 1 A 21 21 PRO C C 21 177.812 178.893 -1.081 1
1 270 . 13 1 1 A 21 21 PRO CA C 21 65.630 65.365 0.265 1
1 271 . 13 1 1 A 21 21 PRO CB C 21 31.220 31.063 0.157 1
1 274 . 13 1 1 A 22 22 ILE H H 22 7.120 7.204 -0.084 1
1 275 . 13 1 1 A 22 22 ILE HA H 22 3.622 3.741 -0.119 1
1 285 . 13 1 1 A 22 22 ILE C C 22 179.561 178.095 1.466 1
1 286 . 13 1 1 A 22 22 ILE CA C 22 64.640 63.941 0.699 1
1 287 . 13 1 1 A 22 22 ILE CB C 22 37.200 37.268 -0.068 1
1 291 . 13 1 1 A 22 22 ILE N N 22 117.089 117.047 0.042 1
1 292 . 13 1 1 A 23 23 PHE H H 23 7.411 7.907 -0.496 1
1 293 . 13 1 1 A 23 23 PHE HA H 23 3.919 4.291 -0.372 1
1 301 . 13 1 1 A 23 23 PHE C C 23 178.486 178.154 0.332 1
1 302 . 13 1 1 A 23 23 PHE CA C 23 63.450 60.761 2.689 1
1 303 . 13 1 1 A 23 23 PHE CB C 23 38.740 39.037 -0.297 1
1 309 . 13 1 1 A 23 23 PHE N N 23 118.753 118.872 -0.119 1
1 310 . 13 1 1 A 24 24 ILE H H 24 8.077 8.510 -0.433 1
1 311 . 13 1 1 A 24 24 ILE HA H 24 3.503 3.610 -0.107 1
1 321 . 13 1 1 A 24 24 ILE C C 24 180.431 178.075 2.356 1
1 322 . 13 1 1 A 24 24 ILE CA C 24 64.997 65.623 -0.626 1
1 323 . 13 1 1 A 24 24 ILE CB C 24 38.110 37.651 0.459 1
1 327 . 13 1 1 A 24 24 ILE N N 24 120.410 119.676 0.734 1
1 328 . 13 1 1 A 25 25 ASN H H 25 8.971 8.385 0.586 1
1 329 . 13 1 1 A 25 25 ASN HA H 25 4.453 4.451 0.002 1
1 334 . 13 1 1 A 25 25 ASN C C 25 176.784 176.792 -0.008 1
1 335 . 13 1 1 A 25 25 ASN CA C 25 55.321 56.471 -1.150 1
1 336 . 13 1 1 A 25 25 ASN CB C 25 37.880 39.825 -1.945 1
1 337 . 13 1 1 A 25 25 ASN N N 25 120.191 120.162 0.029 1
1 339 . 13 1 1 A 26 26 ASN H H 26 7.315 7.853 -0.538 1
1 340 . 13 1 1 A 26 26 ASN HA H 26 4.601 4.763 -0.162 1
1 345 . 13 1 1 A 26 26 ASN C C 26 173.732 175.696 -1.964 1
1 346 . 13 1 1 A 26 26 ASN CA C 26 54.840 53.144 1.696 1
1 347 . 13 1 1 A 26 26 ASN CB C 26 40.890 39.264 1.626 1
1 348 . 13 1 1 A 26 26 ASN N N 26 116.500 115.143 1.357 1
1 350 . 13 1 1 A 27 27 GLY H H 27 7.880 8.065 -0.185 1
1 351 . 13 1 1 A 27 27 GLY HA2 H 27 4.305 3.885 0.420 1
1 352 . 13 1 1 A 27 27 GLY HA3 H 27 3.570 3.943 -0.373 1
1 353 . 13 1 1 A 27 27 GLY CA C 27 45.308 45.111 0.197 1
1 354 . 13 1 1 A 27 27 GLY N N 27 104.918 106.751 -1.833 1
1 355 . 13 1 1 A 28 28 MET H H 28 7.948 8.051 -0.103 1
1 356 . 13 1 1 A 28 28 MET HA H 28 4.190 4.299 -0.109 1
1 364 . 13 1 1 A 28 28 MET C C 28 174.147 174.981 -0.834 1
1 365 . 13 1 1 A 28 28 MET CA C 28 54.335 55.244 -0.909 1
1 366 . 13 1 1 A 28 28 MET CB C 28 31.978 34.364 -2.386 1
1 369 . 13 1 1 A 28 28 MET N N 28 120.940 120.740 0.200 1
1 370 . 13 1 1 A 29 29 HIS H H 29 7.994 8.660 -0.666 1
1 371 . 13 1 1 A 29 29 HIS HA H 29 4.592 4.874 -0.282 1
1 375 . 13 1 1 A 29 29 HIS C C 29 177.664 175.620 2.044 1
1 376 . 13 1 1 A 29 29 HIS CA C 29 56.178 55.477 0.701 1
1 377 . 13 1 1 A 29 29 HIS CB C 29 30.190 31.431 -1.241 1
1 378 . 13 1 1 A 29 29 HIS N N 29 121.779 117.281 4.498 1
1 379 . 13 1 1 A 30 30 CYS H H 30 7.867 8.755 -0.888 1
1 380 . 13 1 1 A 30 30 CYS HA H 30 4.555 4.326 0.229 1
1 383 . 13 1 1 A 30 30 CYS C C 30 174.265 174.666 -0.401 1
1 384 . 13 1 1 A 30 30 CYS CA C 30 57.398 58.799 -1.401 1
1 385 . 13 1 1 A 30 30 CYS CB C 30 28.234 28.459 -0.225 1
1 386 . 13 1 1 A 30 30 CYS N N 30 116.200 120.959 -4.759 1
1 387 . 13 1 1 A 31 31 LEU H H 31 7.845 8.453 -0.608 1
1 388 . 13 1 1 A 31 31 LEU HA H 31 4.045 4.247 -0.202 1
1 398 . 13 1 1 A 31 31 LEU C C 31 177.285 176.425 0.860 1
1 399 . 13 1 1 A 31 31 LEU CA C 31 56.415 55.538 0.877 1
1 400 . 13 1 1 A 31 31 LEU CB C 31 41.172 41.862 -0.690 1
1 404 . 13 1 1 A 31 31 LEU N N 31 122.518 124.801 -2.283 1
1 405 . 13 1 1 A 32 32 GLY H H 32 8.292 8.126 0.166 1
1 406 . 13 1 1 A 32 32 GLY HA2 H 32 3.852 4.070 -0.218 1
1 407 . 13 1 1 A 32 32 GLY HA3 H 32 3.852 4.070 -0.218 1
1 408 . 13 1 1 A 32 32 GLY C C 32 173.868 174.111 -0.243 1
1 409 . 13 1 1 A 32 32 GLY CA C 32 45.182 46.114 -0.932 1
1 410 . 13 1 1 A 32 32 GLY N N 32 108.193 112.092 -3.899 1
1 411 . 13 1 1 A 33 33 CYS H H 33 7.747 8.023 -0.276 1
1 412 . 13 1 1 A 33 33 CYS HA H 33 4.826 4.514 0.312 1
1 415 . 13 1 1 A 33 33 CYS CA C 33 56.005 57.705 -1.700 1
1 416 . 13 1 1 A 33 33 CYS CB C 33 27.330 27.450 -0.120 1
1 417 . 13 1 1 A 33 33 CYS N N 33 120.574 119.781 0.793 1
1 418 . 13 1 1 A 34 34 PRO HA H 34 4.179 4.302 -0.123 1
1 425 . 13 1 1 A 34 34 PRO C C 34 178.582 177.972 0.610 1
1 426 . 13 1 1 A 34 34 PRO CA C 34 65.610 64.789 0.821 1
1 427 . 13 1 1 A 34 34 PRO CB C 34 32.071 32.010 0.061 1
1 430 . 13 1 1 A 35 35 SER H H 35 8.315 8.280 0.035 1
1 431 . 13 1 1 A 35 35 SER HA H 35 4.209 4.150 0.059 1
1 434 . 13 1 1 A 35 35 SER C C 35 177.910 176.313 1.597 1
1 435 . 13 1 1 A 35 35 SER CA C 35 60.704 61.378 -0.674 1
1 436 . 13 1 1 A 35 35 SER CB C 35 62.590 62.173 0.417 1
1 437 . 13 1 1 A 35 35 SER N N 35 112.899 112.850 0.049 1
1 438 . 13 1 1 A 36 36 SER H H 36 7.903 7.651 0.252 1
1 439 . 13 1 1 A 36 36 SER HA H 36 4.432 4.376 0.056 1
1 442 . 13 1 1 A 36 36 SER C C 36 175.084 175.617 -0.533 1
1 443 . 13 1 1 A 36 36 SER CA C 36 60.336 59.984 0.352 1
1 444 . 13 1 1 A 36 36 SER CB C 36 63.920 63.151 0.769 1
1 445 . 13 1 1 A 36 36 SER N N 36 117.747 116.584 1.163 1
1 446 . 13 1 1 A 37 37 MET H H 37 7.646 7.586 0.060 1
1 447 . 13 1 1 A 37 37 MET HA H 37 4.114 4.318 -0.204 1
1 455 . 13 1 1 A 37 37 MET C C 37 175.617 178.698 -3.081 1
1 456 . 13 1 1 A 37 37 MET CA C 37 56.922 57.977 -1.055 1
1 457 . 13 1 1 A 37 37 MET CB C 37 32.891 32.864 0.027 1
1 460 . 13 1 1 A 37 37 MET N N 37 117.790 119.209 -1.419 1
1 461 . 13 1 1 A 38 38 GLY H H 38 7.742 8.304 -0.562 1
1 462 . 13 1 1 A 38 38 GLY HA2 H 38 4.156 3.799 0.357 1
1 463 . 13 1 1 A 38 38 GLY HA3 H 38 3.623 3.800 -0.177 1
1 464 . 13 1 1 A 38 38 GLY C C 38 174.147 174.798 -0.651 1
1 465 . 13 1 1 A 38 38 GLY CA C 38 45.260 47.353 -2.093 1
1 466 . 13 1 1 A 38 38 GLY N N 38 104.897 108.150 -3.253 1
1 467 . 13 1 1 A 39 39 GLU H H 39 7.288 7.695 -0.407 1
1 468 . 13 1 1 A 39 39 GLU HA H 39 4.539 4.464 0.075 1
1 473 . 13 1 1 A 39 39 GLU C C 39 173.845 176.010 -2.165 1
1 474 . 13 1 1 A 39 39 GLU CA C 39 54.885 55.881 -0.996 1
1 475 . 13 1 1 A 39 39 GLU CB C 39 31.980 30.869 1.111 1
1 477 . 13 1 1 A 39 39 GLU N N 39 119.469 119.631 -0.162 1
1 478 . 13 1 1 A 40 40 SER H H 40 9.174 8.786 0.388 1
1 479 . 13 1 1 A 40 40 SER HA H 40 4.847 4.886 -0.039 1
1 482 . 13 1 1 A 40 40 SER C C 40 175.082 176.148 -1.066 1
1 483 . 13 1 1 A 40 40 SER CA C 40 56.757 57.258 -0.501 1
1 484 . 13 1 1 A 40 40 SER CB C 40 65.397 65.611 -0.214 1
1 485 . 13 1 1 A 40 40 SER N N 40 115.819 114.285 1.534 1
1 486 . 13 1 1 A 41 41 ILE H H 41 8.739 9.137 -0.398 1
1 487 . 13 1 1 A 41 41 ILE HA H 41 3.512 3.773 -0.261 1
1 497 . 13 1 1 A 41 41 ILE C C 41 178.832 177.779 1.053 1
1 498 . 13 1 1 A 41 41 ILE CA C 41 67.190 65.755 1.435 1
1 499 . 13 1 1 A 41 41 ILE CB C 41 38.460 37.931 0.529 1
1 503 . 13 1 1 A 41 41 ILE N N 41 121.236 122.344 -1.108 1
1 504 . 13 1 1 A 42 42 GLU H H 42 8.932 8.788 0.144 1
1 505 . 13 1 1 A 42 42 GLU HA H 42 3.826 4.062 -0.236 1
1 510 . 13 1 1 A 42 42 GLU C C 42 178.134 178.501 -0.367 1
1 511 . 13 1 1 A 42 42 GLU CA C 42 59.860 59.237 0.623 1
1 512 . 13 1 1 A 42 42 GLU CB C 42 29.286 29.183 0.103 1
1 514 . 13 1 1 A 42 42 GLU N N 42 117.512 120.055 -2.543 1
1 515 . 13 1 1 A 43 43 ASP H H 43 8.090 7.944 0.146 1
1 516 . 13 1 1 A 43 43 ASP HA H 43 4.428 4.366 0.062 1
1 519 . 13 1 1 A 43 43 ASP C C 43 179.021 178.193 0.828 1
1 520 . 13 1 1 A 43 43 ASP CA C 43 57.460 57.453 0.007 1
1 521 . 13 1 1 A 43 43 ASP CB C 43 39.485 41.164 -1.679 1
1 522 . 13 1 1 A 43 43 ASP N N 43 122.750 120.616 2.134 1
1 523 . 13 1 1 A 44 44 ALA H H 44 8.807 8.105 0.702 1
1 524 . 13 1 1 A 44 44 ALA HA H 44 4.242 4.108 0.134 1
1 528 . 13 1 1 A 44 44 ALA C C 44 181.423 180.112 1.311 1
1 529 . 13 1 1 A 44 44 ALA CA C 44 55.260 55.097 0.163 1
1 530 . 13 1 1 A 44 44 ALA CB C 44 19.775 18.114 1.661 1
1 531 . 13 1 1 A 44 44 ALA N N 44 123.434 120.851 2.583 1
1 532 . 13 1 1 A 45 45 CYS H H 45 8.663 8.274 0.389 1
1 533 . 13 1 1 A 45 45 CYS HA H 45 4.039 4.168 -0.129 1
1 536 . 13 1 1 A 45 45 CYS C C 45 176.954 177.075 -0.121 1
1 537 . 13 1 1 A 45 45 CYS CA C 45 65.300 62.741 2.559 1
1 538 . 13 1 1 A 45 45 CYS CB C 45 26.940 26.290 0.650 1
1 539 . 13 1 1 A 45 45 CYS N N 45 115.424 116.351 -0.927 1
1 540 . 13 1 1 A 46 46 ALA H H 46 7.844 7.588 0.256 1
1 541 . 13 1 1 A 46 46 ALA HA H 46 4.274 4.087 0.187 1
1 545 . 13 1 1 A 46 46 ALA C C 46 180.730 180.171 0.559 1
1 546 . 13 1 1 A 46 46 ALA CA C 46 55.127 54.869 0.258 1
1 547 . 13 1 1 A 46 46 ALA CB C 46 18.020 18.363 -0.343 1
1 548 . 13 1 1 A 46 46 ALA N N 46 122.366 122.970 -0.604 1
1 549 . 13 1 1 A 47 47 VAL H H 47 7.503 7.979 -0.476 1
1 550 . 13 1 1 A 47 47 VAL HA H 47 3.690 3.701 -0.011 1
1 558 . 13 1 1 A 47 47 VAL C C 47 177.652 177.937 -0.285 1
1 559 . 13 1 1 A 47 47 VAL CA C 47 65.530 66.541 -1.011 1
1 560 . 13 1 1 A 47 47 VAL CB C 47 32.140 31.881 0.259 1
1 563 . 13 1 1 A 47 47 VAL N N 47 116.850 119.221 -2.371 1
1 564 . 13 1 1 A 48 48 HIS H H 48 7.496 7.910 -0.414 1
1 565 . 13 1 1 A 48 48 HIS HA H 48 4.629 4.540 0.089 1
1 569 . 13 1 1 A 48 48 HIS C C 48 174.865 175.371 -0.506 1
1 570 . 13 1 1 A 48 48 HIS CA C 48 56.985 57.662 -0.677 1
1 571 . 13 1 1 A 48 48 HIS CB C 48 31.033 30.337 0.696 1
1 573 . 13 1 1 A 48 48 HIS N N 48 114.271 119.126 -4.855 1
1 574 . 13 1 1 A 49 49 GLY H H 49 7.846 8.619 -0.773 1
1 575 . 13 1 1 A 49 49 GLY HA2 H 49 4.002 3.812 0.190 1
1 576 . 13 1 1 A 49 49 GLY HA3 H 49 4.002 3.857 0.145 1
1 577 . 13 1 1 A 49 49 GLY C C 49 174.536 174.479 0.057 1
1 578 . 13 1 1 A 49 49 GLY CA C 49 47.189 46.743 0.446 1
1 579 . 13 1 1 A 49 49 GLY N N 49 110.669 107.174 3.495 1
1 580 . 13 1 1 A 50 50 ILE H H 50 8.126 8.223 -0.097 1
1 581 . 13 1 1 A 50 50 ILE HA H 50 4.295 4.562 -0.267 1
1 591 . 13 1 1 A 50 50 ILE C C 50 175.038 174.521 0.517 1
1 592 . 13 1 1 A 50 50 ILE CA C 50 59.759 59.687 0.072 1
1 593 . 13 1 1 A 50 50 ILE CB C 50 41.222 40.063 1.159 1
1 597 . 13 1 1 A 50 50 ILE N N 50 119.905 120.542 -0.637 1
1 598 . 13 1 1 A 51 51 ASP H H 51 8.497 8.583 -0.086 1
1 599 . 13 1 1 A 51 51 ASP HA H 51 4.523 4.782 -0.259 1
1 602 . 13 1 1 A 51 51 ASP C C 51 175.978 176.694 -0.716 1
1 603 . 13 1 1 A 51 51 ASP CA C 51 54.100 52.852 1.248 1
1 604 . 13 1 1 A 51 51 ASP CB C 51 40.990 40.461 0.529 1
1 605 . 13 1 1 A 51 51 ASP N N 51 124.951 125.757 -0.806 1
1 606 . 13 1 1 A 52 52 ALA H H 52 8.791 8.929 -0.138 1
1 607 . 13 1 1 A 52 52 ALA HA H 52 4.329 4.015 0.314 1
1 611 . 13 1 1 A 52 52 ALA CA C 52 55.070 55.593 -0.523 1
1 612 . 13 1 1 A 52 52 ALA CB C 52 19.480 18.362 1.118 1
1 613 . 13 1 1 A 52 52 ALA N N 52 131.766 129.511 2.255 1
1 614 . 13 1 1 A 53 53 ASP H H 53 8.082 8.259 -0.177 1
1 615 . 13 1 1 A 53 53 ASP HA H 53 4.321 4.349 -0.028 1
1 618 . 13 1 1 A 53 53 ASP CA C 53 57.500 58.652 -1.152 1
1 619 . 13 1 1 A 53 53 ASP CB C 53 39.940 42.187 -2.247 1
1 620 . 13 1 1 A 53 53 ASP N N 53 116.960 118.586 -1.626 1
1 621 . 13 1 1 A 54 54 LYS H H 54 7.762 7.621 0.141 1
1 622 . 13 1 1 A 54 54 LYS HA H 54 3.958 4.083 -0.125 1
1 631 . 13 1 1 A 54 54 LYS C C 54 177.748 178.910 -1.162 1
1 632 . 13 1 1 A 54 54 LYS CA C 54 59.355 59.358 -0.003 1
1 633 . 13 1 1 A 54 54 LYS CB C 54 32.920 32.222 0.698 1
1 637 . 13 1 1 A 54 54 LYS N N 54 123.420 118.631 4.789 1
1 638 . 13 1 1 A 55 55 LEU H H 55 7.337 7.892 -0.555 1
1 639 . 13 1 1 A 55 55 LEU HA H 55 3.822 3.995 -0.173 1
1 649 . 13 1 1 A 55 55 LEU C C 55 177.966 178.423 -0.457 1
1 650 . 13 1 1 A 55 55 LEU CA C 55 58.258 58.395 -0.137 1
1 651 . 13 1 1 A 55 55 LEU CB C 55 41.908 41.799 0.109 1
1 655 . 13 1 1 A 55 55 LEU N N 55 119.522 121.871 -2.349 1
1 656 . 13 1 1 A 56 56 VAL H H 56 8.503 8.511 -0.008 1
1 657 . 13 1 1 A 56 56 VAL HA H 56 3.378 3.554 -0.176 1
1 665 . 13 1 1 A 56 56 VAL C C 56 177.576 178.009 -0.433 1
1 666 . 13 1 1 A 56 56 VAL CA C 56 67.460 67.103 0.357 1
1 667 . 13 1 1 A 56 56 VAL CB C 56 31.560 31.363 0.197 1
1 670 . 13 1 1 A 56 56 VAL N N 56 117.548 119.313 -1.765 1
1 671 . 13 1 1 A 57 57 LYS H H 57 8.003 7.580 0.423 1
1 672 . 13 1 1 A 57 57 LYS HA H 57 4.200 3.891 0.309 1
1 681 . 13 1 1 A 57 57 LYS C C 57 179.196 179.942 -0.746 1
1 682 . 13 1 1 A 57 57 LYS CA C 57 60.130 60.432 -0.302 1
1 683 . 13 1 1 A 57 57 LYS CB C 57 32.383 32.175 0.208 1
1 687 . 13 1 1 A 57 57 LYS N N 57 122.289 118.807 3.482 1
1 688 . 13 1 1 A 58 58 GLU H H 58 8.035 8.084 -0.049 1
1 689 . 13 1 1 A 58 58 GLU HA H 58 4.010 4.002 0.008 1
1 694 . 13 1 1 A 58 58 GLU CA C 58 59.975 59.080 0.895 1
1 695 . 13 1 1 A 58 58 GLU CB C 58 29.430 29.230 0.200 1
1 697 . 13 1 1 A 58 58 GLU N N 58 119.482 120.640 -1.158 1
1 698 . 13 1 1 A 59 59 LEU H H 59 8.560 8.353 0.207 1
1 699 . 13 1 1 A 59 59 LEU HA H 59 3.998 3.924 0.074 1
1 709 . 13 1 1 A 59 59 LEU C C 59 178.239 179.151 -0.912 1
1 710 . 13 1 1 A 59 59 LEU CA C 59 58.200 57.894 0.306 1
1 711 . 13 1 1 A 59 59 LEU CB C 59 42.695 41.552 1.143 1
1 715 . 13 1 1 A 59 59 LEU N N 59 121.725 120.604 1.121 1
1 716 . 13 1 1 A 60 60 ASN H H 60 8.684 8.711 -0.027 1
1 717 . 13 1 1 A 60 60 ASN HA H 60 4.806 4.636 0.170 1
1 722 . 13 1 1 A 60 60 ASN C C 60 178.495 178.491 0.004 1
1 723 . 13 1 1 A 60 60 ASN CA C 60 57.895 56.748 1.147 1
1 724 . 13 1 1 A 60 60 ASN CB C 60 38.528 37.972 0.556 1
1 725 . 13 1 1 A 60 60 ASN N N 60 117.410 117.716 -0.306 1
1 727 . 13 1 1 A 61 61 GLU H H 61 8.602 8.316 0.286 1
1 728 . 13 1 1 A 61 61 GLU HA H 61 4.040 4.045 -0.005 1
1 733 . 13 1 1 A 61 61 GLU C C 61 178.325 178.629 -0.304 1
1 734 . 13 1 1 A 61 61 GLU CA C 61 59.814 59.496 0.318 1
1 735 . 13 1 1 A 61 61 GLU CB C 61 29.610 29.489 0.121 1
1 737 . 13 1 1 A 61 61 GLU N N 61 121.480 119.666 1.814 1
1 738 . 13 1 1 A 62 62 TYR H H 62 7.698 7.882 -0.184 1
1 739 . 13 1 1 A 62 62 TYR HA H 62 3.978 4.217 -0.239 1
1 746 . 13 1 1 A 62 62 TYR C C 62 177.947 177.598 0.349 1
1 747 . 13 1 1 A 62 62 TYR CA C 62 61.600 61.336 0.264 1
1 748 . 13 1 1 A 62 62 TYR CB C 62 37.513 38.150 -0.637 1
1 753 . 13 1 1 A 62 62 TYR N N 62 120.683 121.447 -0.764 1
1 754 . 13 1 1 A 63 63 PHE H H 63 7.982 7.921 0.061 1
1 755 . 13 1 1 A 63 63 PHE HA H 63 3.932 3.954 -0.022 1
1 763 . 13 1 1 A 63 63 PHE CA C 63 63.262 62.269 0.993 1
1 764 . 13 1 1 A 63 63 PHE CB C 63 39.120 38.526 0.594 1
1 770 . 13 1 1 A 63 63 PHE N N 63 117.730 118.074 -0.344 1
1 771 . 13 1 1 A 64 64 GLU H H 64 8.554 8.163 0.391 1
1 772 . 13 1 1 A 64 64 GLU HA H 64 4.095 3.983 0.112 1
1 777 . 13 1 1 A 64 64 GLU C C 64 178.921 179.457 -0.536 1
1 778 . 13 1 1 A 64 64 GLU CA C 64 59.322 59.835 -0.513 1
1 779 . 13 1 1 A 64 64 GLU CB C 64 29.670 29.228 0.442 1
1 781 . 13 1 1 A 64 64 GLU N N 64 121.392 119.966 1.426 1
1 782 . 13 1 1 A 65 65 LYS H H 65 7.850 7.979 -0.129 1
1 783 . 13 1 1 A 65 65 LYS HA H 65 3.982 4.051 -0.069 1
1 792 . 13 1 1 A 65 65 LYS C C 65 178.374 179.205 -0.831 1
1 793 . 13 1 1 A 65 65 LYS CA C 65 58.638 59.722 -1.084 1
1 794 . 13 1 1 A 65 65 LYS CB C 65 32.110 32.143 -0.033 1
1 798 . 13 1 1 A 65 65 LYS N N 65 118.746 119.846 -1.100 1
1 799 . 13 1 1 A 66 66 LYS H H 66 7.503 7.789 -0.286 1
1 800 . 13 1 1 A 66 66 LYS HA H 66 3.880 3.795 0.085 1
1 809 . 13 1 1 A 66 66 LYS C C 66 177.925 179.556 -1.631 1
1 810 . 13 1 1 A 66 66 LYS CA C 66 58.590 60.004 -1.414 1
1 811 . 13 1 1 A 66 66 LYS CB C 66 32.560 32.177 0.383 1
1 815 . 13 1 1 A 66 66 LYS N N 66 119.241 120.005 -0.764 1
1 816 . 13 1 1 A 67 67 GLU H H 67 7.876 7.963 -0.087 1
1 817 . 13 1 1 A 67 67 GLU HA H 67 4.097 4.077 0.020 1
1 822 . 13 1 1 A 67 67 GLU C C 67 178.016 178.254 -0.238 1
1 823 . 13 1 1 A 67 67 GLU CA C 67 58.280 58.651 -0.371 1
1 824 . 13 1 1 A 67 67 GLU CB C 67 29.802 29.379 0.423 1
1 826 . 13 1 1 A 67 67 GLU N N 67 119.096 119.851 -0.755 1
1 827 . 13 1 1 A 68 68 VAL H H 68 7.719 7.116 0.603 1
1 828 . 13 1 1 A 68 68 VAL HA H 68 3.797 3.765 0.032 1
1 836 . 13 1 1 A 68 68 VAL C C 68 177.668 178.023 -0.355 1
1 837 . 13 1 1 A 68 68 VAL CA C 68 64.600 65.609 -1.009 1
1 838 . 13 1 1 A 68 68 VAL CB C 68 32.050 31.960 0.090 1
1 841 . 13 1 1 A 68 68 VAL N N 68 119.409 120.138 -0.729 1
1 842 . 13 1 1 A 69 69 LEU H H 69 7.911 8.249 -0.338 1
1 843 . 13 1 1 A 69 69 LEU HA H 69 4.127 3.911 0.216 1
1 853 . 13 1 1 A 69 69 LEU C C 69 178.438 179.010 -0.572 1
1 854 . 13 1 1 A 69 69 LEU CA C 69 56.461 58.150 -1.689 1
1 855 . 13 1 1 A 69 69 LEU CB C 69 42.153 41.598 0.555 1
1 859 . 13 1 1 A 69 69 LEU N N 69 122.199 119.176 3.023 1
1 14 . 14 1 1 A 2 2 LYS H H 2 8.383 8.612 -0.229 1
1 15 . 14 1 1 A 2 2 LYS HA H 2 4.314 4.839 -0.525 1
1 24 . 14 1 1 A 2 2 LYS C C 2 175.001 175.091 -0.090 1
1 25 . 14 1 1 A 2 2 LYS CA C 2 56.188 56.264 -0.076 1
1 26 . 14 1 1 A 2 2 LYS CB C 2 33.481 32.615 0.866 1
1 30 . 14 1 1 A 2 2 LYS N N 2 124.593 125.990 -1.397 1
1 31 . 14 1 1 A 3 3 ILE H H 3 9.639 8.749 0.890 1
1 32 . 14 1 1 A 3 3 ILE HA H 3 4.510 4.438 0.072 1
1 42 . 14 1 1 A 3 3 ILE C C 3 176.337 175.832 0.505 1
1 43 . 14 1 1 A 3 3 ILE CA C 3 58.009 61.562 -3.553 1
1 44 . 14 1 1 A 3 3 ILE CB C 3 36.405 37.802 -1.397 1
1 48 . 14 1 1 A 3 3 ILE N N 3 124.160 128.104 -3.944 1
1 49 . 14 1 1 A 4 4 THR H H 4 7.637 8.441 -0.804 1
1 50 . 14 1 1 A 4 4 THR HA H 4 4.795 5.030 -0.235 1
1 55 . 14 1 1 A 4 4 THR C C 4 175.818 175.251 0.567 1
1 56 . 14 1 1 A 4 4 THR CA C 4 59.550 59.077 0.473 1
1 57 . 14 1 1 A 4 4 THR CB C 4 71.365 72.094 -0.729 1
1 59 . 14 1 1 A 4 4 THR N N 4 115.631 116.722 -1.091 1
1 60 . 14 1 1 A 5 5 LYS H H 5 9.100 8.990 0.110 1
1 61 . 14 1 1 A 5 5 LYS HA H 5 3.910 4.095 -0.185 1
1 70 . 14 1 1 A 5 5 LYS C C 5 173.504 178.393 -4.889 1
1 71 . 14 1 1 A 5 5 LYS CA C 5 58.730 58.512 0.218 1
1 72 . 14 1 1 A 5 5 LYS CB C 5 32.584 32.134 0.450 1
1 76 . 14 1 1 A 5 5 LYS N N 5 117.257 119.851 -2.594 1
1 77 . 14 1 1 A 6 6 ASP H H 6 8.542 7.846 0.696 1
1 78 . 14 1 1 A 6 6 ASP HA H 6 4.577 4.444 0.133 1
1 81 . 14 1 1 A 6 6 ASP C C 6 176.227 176.536 -0.309 1
1 82 . 14 1 1 A 6 6 ASP CA C 6 53.772 56.482 -2.710 1
1 83 . 14 1 1 A 6 6 ASP CB C 6 40.478 40.773 -0.295 1
1 84 . 14 1 1 A 6 6 ASP N N 6 115.528 120.222 -4.694 1
1 85 . 14 1 1 A 7 7 MET H H 7 7.545 7.822 -0.277 1
1 86 . 14 1 1 A 7 7 MET HA H 7 4.037 4.638 -0.601 1
1 94 . 14 1 1 A 7 7 MET C C 7 174.214 175.854 -1.640 1
1 95 . 14 1 1 A 7 7 MET CA C 7 57.578 55.161 2.417 1
1 96 . 14 1 1 A 7 7 MET CB C 7 33.295 33.444 -0.149 1
1 99 . 14 1 1 A 7 7 MET N N 7 119.925 118.651 1.274 1
1 100 . 14 1 1 A 8 8 ILE H H 8 8.721 8.581 0.140 1
1 101 . 14 1 1 A 8 8 ILE HA H 8 4.110 4.067 0.043 1
1 111 . 14 1 1 A 8 8 ILE C C 8 178.731 176.467 2.264 1
1 112 . 14 1 1 A 8 8 ILE CA C 8 59.060 61.664 -2.604 1
1 113 . 14 1 1 A 8 8 ILE CB C 8 36.472 38.058 -1.586 1
1 117 . 14 1 1 A 8 8 ILE N N 8 121.085 123.220 -2.135 1
1 118 . 14 1 1 A 9 9 ILE H H 9 8.522 8.173 0.349 1
1 119 . 14 1 1 A 9 9 ILE HA H 9 3.238 3.466 -0.228 1
1 129 . 14 1 1 A 9 9 ILE C C 9 178.227 177.439 0.788 1
1 130 . 14 1 1 A 9 9 ILE CA C 9 67.720 64.761 2.959 1
1 131 . 14 1 1 A 9 9 ILE CB C 9 37.078 37.018 0.060 1
1 135 . 14 1 1 A 9 9 ILE N N 9 128.907 124.703 4.204 1
1 136 . 14 1 1 A 10 10 ALA H H 10 8.578 8.346 0.232 1
1 137 . 14 1 1 A 10 10 ALA HA H 10 3.837 3.968 -0.131 1
1 141 . 14 1 1 A 10 10 ALA C C 10 179.790 178.432 1.358 1
1 142 . 14 1 1 A 10 10 ALA CA C 10 55.447 55.594 -0.147 1
1 143 . 14 1 1 A 10 10 ALA CB C 10 19.000 18.123 0.877 1
1 144 . 14 1 1 A 10 10 ALA N N 10 118.416 122.889 -4.473 1
1 145 . 14 1 1 A 11 11 ASP H H 11 7.100 8.113 -1.013 1
1 146 . 14 1 1 A 11 11 ASP HA H 11 4.380 4.341 0.039 1
1 149 . 14 1 1 A 11 11 ASP C C 11 178.903 178.616 0.287 1
1 150 . 14 1 1 A 11 11 ASP CA C 11 56.979 57.525 -0.546 1
1 151 . 14 1 1 A 11 11 ASP CB C 11 39.520 41.752 -2.232 1
1 152 . 14 1 1 A 11 11 ASP N N 11 116.224 118.451 -2.227 1
1 153 . 14 1 1 A 12 12 VAL H H 12 7.723 7.847 -0.124 1
1 154 . 14 1 1 A 12 12 VAL HA H 12 3.862 3.758 0.104 1
1 162 . 14 1 1 A 12 12 VAL C C 12 177.664 178.406 -0.742 1
1 163 . 14 1 1 A 12 12 VAL CA C 12 66.656 66.587 0.069 1
1 164 . 14 1 1 A 12 12 VAL CB C 12 31.980 31.717 0.263 1
1 167 . 14 1 1 A 12 12 VAL N N 12 123.054 119.043 4.011 1
1 168 . 14 1 1 A 13 13 LEU H H 13 7.995 7.947 0.048 1
1 169 . 14 1 1 A 13 13 LEU HA H 13 3.945 4.150 -0.205 1
1 179 . 14 1 1 A 13 13 LEU C C 13 175.458 179.272 -3.814 1
1 180 . 14 1 1 A 13 13 LEU CA C 13 57.259 58.186 -0.927 1
1 181 . 14 1 1 A 13 13 LEU CB C 13 42.140 40.885 1.255 1
1 185 . 14 1 1 A 13 13 LEU N N 13 118.291 120.155 -1.864 1
1 186 . 14 1 1 A 14 14 GLN H H 14 7.580 7.897 -0.317 1
1 187 . 14 1 1 A 14 14 GLN HA H 14 3.988 4.278 -0.290 1
1 194 . 14 1 1 A 14 14 GLN C C 14 178.311 178.216 0.095 1
1 195 . 14 1 1 A 14 14 GLN CA C 14 57.659 58.308 -0.649 1
1 196 . 14 1 1 A 14 14 GLN CB C 14 28.700 28.576 0.124 1
1 198 . 14 1 1 A 14 14 GLN N N 14 114.621 117.141 -2.520 1
1 200 . 14 1 1 A 15 15 MET H H 15 7.675 7.656 0.019 1
1 201 . 14 1 1 A 15 15 MET HA H 15 4.069 4.575 -0.506 1
1 209 . 14 1 1 A 15 15 MET C C 15 177.780 176.192 1.588 1
1 210 . 14 1 1 A 15 15 MET CA C 15 59.420 57.988 1.432 1
1 211 . 14 1 1 A 15 15 MET CB C 15 33.423 34.314 -0.891 1
1 214 . 14 1 1 A 15 15 MET N N 15 119.587 116.767 2.820 1
1 215 . 14 1 1 A 16 16 ASP H H 16 7.520 8.165 -0.645 1
1 216 . 14 1 1 A 16 16 ASP HA H 16 4.613 5.061 -0.448 1
1 219 . 14 1 1 A 16 16 ASP C C 16 175.706 175.660 0.046 1
1 220 . 14 1 1 A 16 16 ASP CA C 16 55.090 53.487 1.603 1
1 221 . 14 1 1 A 16 16 ASP CB C 16 43.460 43.313 0.147 1
1 222 . 14 1 1 A 16 16 ASP N N 16 113.838 116.779 -2.941 1
1 223 . 14 1 1 A 17 17 ARG H H 17 9.352 8.913 0.439 1
1 224 . 14 1 1 A 17 17 ARG HA H 17 4.253 4.180 0.073 1
1 231 . 14 1 1 A 17 17 ARG C C 17 178.889 177.893 0.996 1
1 232 . 14 1 1 A 17 17 ARG CA C 17 58.566 58.619 -0.053 1
1 233 . 14 1 1 A 17 17 ARG CB C 17 29.280 30.106 -0.826 1
1 236 . 14 1 1 A 17 17 ARG N N 17 131.098 125.124 5.974 1
1 237 . 14 1 1 A 18 18 GLY H H 18 9.534 8.226 1.308 1
1 238 . 14 1 1 A 18 18 GLY HA2 H 18 3.857 3.889 -0.032 1
1 239 . 14 1 1 A 18 18 GLY HA3 H 18 3.946 3.947 -0.001 1
1 240 . 14 1 1 A 18 18 GLY C C 18 173.747 175.526 -1.779 1
1 241 . 14 1 1 A 18 18 GLY CA C 18 45.820 45.960 -0.140 1
1 242 . 14 1 1 A 18 18 GLY N N 18 111.218 108.477 2.741 1
1 243 . 14 1 1 A 19 19 THR H H 19 7.486 7.621 -0.135 1
1 244 . 14 1 1 A 19 19 THR HA H 19 3.293 3.660 -0.367 1
1 249 . 14 1 1 A 19 19 THR C C 19 177.067 176.823 0.244 1
1 250 . 14 1 1 A 19 19 THR CA C 19 63.090 64.416 -1.326 1
1 251 . 14 1 1 A 19 19 THR CB C 19 69.960 68.317 1.643 1
1 253 . 14 1 1 A 19 19 THR N N 19 106.889 112.049 -5.160 1
1 254 . 14 1 1 A 20 20 ALA H H 20 7.648 8.053 -0.405 1
1 255 . 14 1 1 A 20 20 ALA HA H 20 4.246 4.261 -0.015 1
1 259 . 14 1 1 A 20 20 ALA CA C 20 57.780 57.153 0.627 1
1 260 . 14 1 1 A 20 20 ALA CB C 20 15.960 16.945 -0.985 1
1 261 . 14 1 1 A 20 20 ALA N N 20 125.258 124.852 0.406 1
1 262 . 14 1 1 A 21 21 PRO HA H 21 4.169 4.347 -0.178 1
1 269 . 14 1 1 A 21 21 PRO C C 21 177.812 178.880 -1.068 1
1 270 . 14 1 1 A 21 21 PRO CA C 21 65.630 65.366 0.264 1
1 271 . 14 1 1 A 21 21 PRO CB C 21 31.220 31.142 0.078 1
1 274 . 14 1 1 A 22 22 ILE H H 22 7.120 7.038 0.082 1
1 275 . 14 1 1 A 22 22 ILE HA H 22 3.622 3.758 -0.136 1
1 285 . 14 1 1 A 22 22 ILE C C 22 179.561 178.083 1.478 1
1 286 . 14 1 1 A 22 22 ILE CA C 22 64.640 63.971 0.669 1
1 287 . 14 1 1 A 22 22 ILE CB C 22 37.200 37.314 -0.114 1
1 291 . 14 1 1 A 22 22 ILE N N 22 117.089 117.091 -0.002 1
1 292 . 14 1 1 A 23 23 PHE H H 23 7.411 7.800 -0.389 1
1 293 . 14 1 1 A 23 23 PHE HA H 23 3.919 4.309 -0.390 1
1 301 . 14 1 1 A 23 23 PHE C C 23 178.486 178.202 0.284 1
1 302 . 14 1 1 A 23 23 PHE CA C 23 63.450 60.653 2.797 1
1 303 . 14 1 1 A 23 23 PHE CB C 23 38.740 39.099 -0.359 1
1 309 . 14 1 1 A 23 23 PHE N N 23 118.753 118.837 -0.084 1
1 310 . 14 1 1 A 24 24 ILE H H 24 8.077 8.361 -0.284 1
1 311 . 14 1 1 A 24 24 ILE HA H 24 3.503 3.868 -0.365 1
1 321 . 14 1 1 A 24 24 ILE C C 24 180.431 178.089 2.342 1
1 322 . 14 1 1 A 24 24 ILE CA C 24 64.997 65.359 -0.362 1
1 323 . 14 1 1 A 24 24 ILE CB C 24 38.110 37.705 0.405 1
1 327 . 14 1 1 A 24 24 ILE N N 24 120.410 119.741 0.669 1
1 328 . 14 1 1 A 25 25 ASN H H 25 8.971 8.442 0.529 1
1 329 . 14 1 1 A 25 25 ASN HA H 25 4.453 4.469 -0.016 1
1 334 . 14 1 1 A 25 25 ASN C C 25 176.784 176.628 0.156 1
1 335 . 14 1 1 A 25 25 ASN CA C 25 55.321 56.594 -1.273 1
1 336 . 14 1 1 A 25 25 ASN CB C 25 37.880 39.562 -1.682 1
1 337 . 14 1 1 A 25 25 ASN N N 25 120.191 120.029 0.162 1
1 339 . 14 1 1 A 26 26 ASN H H 26 7.315 7.871 -0.556 1
1 340 . 14 1 1 A 26 26 ASN HA H 26 4.601 4.811 -0.210 1
1 345 . 14 1 1 A 26 26 ASN C C 26 173.732 175.692 -1.960 1
1 346 . 14 1 1 A 26 26 ASN CA C 26 54.840 53.058 1.782 1
1 347 . 14 1 1 A 26 26 ASN CB C 26 40.890 38.936 1.954 1
1 348 . 14 1 1 A 26 26 ASN N N 26 116.500 115.234 1.266 1
1 350 . 14 1 1 A 27 27 GLY H H 27 7.880 8.112 -0.232 1
1 351 . 14 1 1 A 27 27 GLY HA2 H 27 4.305 4.016 0.289 1
1 352 . 14 1 1 A 27 27 GLY HA3 H 27 3.570 4.074 -0.504 1
1 353 . 14 1 1 A 27 27 GLY CA C 27 45.308 45.090 0.218 1
1 354 . 14 1 1 A 27 27 GLY N N 27 104.918 107.409 -2.491 1
1 355 . 14 1 1 A 28 28 MET H H 28 7.948 7.854 0.094 1
1 356 . 14 1 1 A 28 28 MET HA H 28 4.190 4.544 -0.354 1
1 364 . 14 1 1 A 28 28 MET C C 28 174.147 174.907 -0.760 1
1 365 . 14 1 1 A 28 28 MET CA C 28 54.335 55.621 -1.286 1
1 366 . 14 1 1 A 28 28 MET CB C 28 31.978 34.476 -2.498 1
1 369 . 14 1 1 A 28 28 MET N N 28 120.940 120.529 0.411 1
1 370 . 14 1 1 A 29 29 HIS H H 29 7.994 7.937 0.057 1
1 371 . 14 1 1 A 29 29 HIS HA H 29 4.592 5.049 -0.457 1
1 375 . 14 1 1 A 29 29 HIS C C 29 177.664 174.236 3.428 1
1 376 . 14 1 1 A 29 29 HIS CA C 29 56.178 54.327 1.851 1
1 377 . 14 1 1 A 29 29 HIS CB C 29 30.190 32.239 -2.049 1
1 378 . 14 1 1 A 29 29 HIS N N 29 121.779 115.411 6.368 1
1 379 . 14 1 1 A 30 30 CYS H H 30 7.867 8.612 -0.745 1
1 380 . 14 1 1 A 30 30 CYS HA H 30 4.555 4.227 0.328 1
1 383 . 14 1 1 A 30 30 CYS C C 30 174.265 174.275 -0.010 1
1 384 . 14 1 1 A 30 30 CYS CA C 30 57.398 61.859 -4.461 1
1 385 . 14 1 1 A 30 30 CYS CB C 30 28.234 27.930 0.304 1
1 386 . 14 1 1 A 30 30 CYS N N 30 116.200 121.341 -5.141 1
1 387 . 14 1 1 A 31 31 LEU H H 31 7.845 7.951 -0.106 1
1 388 . 14 1 1 A 31 31 LEU HA H 31 4.045 4.584 -0.539 1
1 398 . 14 1 1 A 31 31 LEU C C 31 177.285 177.538 -0.253 1
1 399 . 14 1 1 A 31 31 LEU CA C 31 56.415 54.132 2.283 1
1 400 . 14 1 1 A 31 31 LEU CB C 31 41.172 43.875 -2.703 1
1 404 . 14 1 1 A 31 31 LEU N N 31 122.518 121.371 1.147 1
1 405 . 14 1 1 A 32 32 GLY H H 32 8.292 8.507 -0.215 1
1 406 . 14 1 1 A 32 32 GLY HA2 H 32 3.852 4.041 -0.189 1
1 407 . 14 1 1 A 32 32 GLY HA3 H 32 3.852 4.146 -0.294 1
1 408 . 14 1 1 A 32 32 GLY C C 32 173.868 173.588 0.280 1
1 409 . 14 1 1 A 32 32 GLY CA C 32 45.182 45.408 -0.226 1
1 410 . 14 1 1 A 32 32 GLY N N 32 108.193 114.518 -6.325 1
1 411 . 14 1 1 A 33 33 CYS H H 33 7.747 7.785 -0.038 1
1 412 . 14 1 1 A 33 33 CYS HA H 33 4.826 4.912 -0.086 1
1 415 . 14 1 1 A 33 33 CYS CA C 33 56.005 57.429 -1.424 1
1 416 . 14 1 1 A 33 33 CYS CB C 33 27.330 31.024 -3.694 1
1 417 . 14 1 1 A 33 33 CYS N N 33 120.574 119.121 1.453 1
1 418 . 14 1 1 A 34 34 PRO HA H 34 4.179 4.373 -0.194 1
1 425 . 14 1 1 A 34 34 PRO C C 34 178.582 177.692 0.890 1
1 426 . 14 1 1 A 34 34 PRO CA C 34 65.610 64.193 1.417 1
1 427 . 14 1 1 A 34 34 PRO CB C 34 32.071 31.822 0.249 1
1 430 . 14 1 1 A 35 35 SER H H 35 8.315 8.257 0.058 1
1 431 . 14 1 1 A 35 35 SER HA H 35 4.209 4.145 0.064 1
1 434 . 14 1 1 A 35 35 SER C C 35 177.910 176.829 1.081 1
1 435 . 14 1 1 A 35 35 SER CA C 35 60.704 61.544 -0.840 1
1 436 . 14 1 1 A 35 35 SER CB C 35 62.590 62.421 0.169 1
1 437 . 14 1 1 A 35 35 SER N N 35 112.899 114.091 -1.192 1
1 438 . 14 1 1 A 36 36 SER H H 36 7.903 8.062 -0.159 1
1 439 . 14 1 1 A 36 36 SER HA H 36 4.432 4.223 0.209 1
1 442 . 14 1 1 A 36 36 SER C C 36 175.084 175.656 -0.572 1
1 443 . 14 1 1 A 36 36 SER CA C 36 60.336 60.645 -0.309 1
1 444 . 14 1 1 A 36 36 SER CB C 36 63.920 62.587 1.333 1
1 445 . 14 1 1 A 36 36 SER N N 36 117.747 115.878 1.869 1
1 446 . 14 1 1 A 37 37 MET H H 37 7.646 7.464 0.182 1
1 447 . 14 1 1 A 37 37 MET HA H 37 4.114 4.261 -0.147 1
1 455 . 14 1 1 A 37 37 MET C C 37 175.617 178.000 -2.383 1
1 456 . 14 1 1 A 37 37 MET CA C 37 56.922 56.801 0.121 1
1 457 . 14 1 1 A 37 37 MET CB C 37 32.891 33.807 -0.916 1
1 460 . 14 1 1 A 37 37 MET N N 37 117.790 118.548 -0.758 1
1 461 . 14 1 1 A 38 38 GLY H H 38 7.742 8.140 -0.398 1
1 462 . 14 1 1 A 38 38 GLY HA2 H 38 4.156 3.934 0.222 1
1 463 . 14 1 1 A 38 38 GLY HA3 H 38 3.623 3.941 -0.318 1
1 464 . 14 1 1 A 38 38 GLY C C 38 174.147 174.097 0.050 1
1 465 . 14 1 1 A 38 38 GLY CA C 38 45.260 45.311 -0.051 1
1 466 . 14 1 1 A 38 38 GLY N N 38 104.897 107.740 -2.843 1
1 467 . 14 1 1 A 39 39 GLU H H 39 7.288 7.651 -0.363 1
1 468 . 14 1 1 A 39 39 GLU HA H 39 4.539 4.665 -0.126 1
1 473 . 14 1 1 A 39 39 GLU C C 39 173.845 176.333 -2.488 1
1 474 . 14 1 1 A 39 39 GLU CA C 39 54.885 55.102 -0.217 1
1 475 . 14 1 1 A 39 39 GLU CB C 39 31.980 30.452 1.528 1
1 477 . 14 1 1 A 39 39 GLU N N 39 119.469 120.841 -1.372 1
1 478 . 14 1 1 A 40 40 SER H H 40 9.174 8.876 0.298 1
1 479 . 14 1 1 A 40 40 SER HA H 40 4.847 4.750 0.097 1
1 482 . 14 1 1 A 40 40 SER C C 40 175.082 175.862 -0.780 1
1 483 . 14 1 1 A 40 40 SER CA C 40 56.757 58.685 -1.928 1
1 484 . 14 1 1 A 40 40 SER CB C 40 65.397 63.987 1.410 1
1 485 . 14 1 1 A 40 40 SER N N 40 115.819 119.091 -3.272 1
1 486 . 14 1 1 A 41 41 ILE H H 41 8.739 8.827 -0.088 1
1 487 . 14 1 1 A 41 41 ILE HA H 41 3.512 3.794 -0.282 1
1 497 . 14 1 1 A 41 41 ILE C C 41 178.832 177.700 1.132 1
1 498 . 14 1 1 A 41 41 ILE CA C 41 67.190 65.797 1.393 1
1 499 . 14 1 1 A 41 41 ILE CB C 41 38.460 38.019 0.441 1
1 503 . 14 1 1 A 41 41 ILE N N 41 121.236 124.553 -3.317 1
1 504 . 14 1 1 A 42 42 GLU H H 42 8.932 8.813 0.119 1
1 505 . 14 1 1 A 42 42 GLU HA H 42 3.826 4.059 -0.233 1
1 510 . 14 1 1 A 42 42 GLU C C 42 178.134 178.379 -0.245 1
1 511 . 14 1 1 A 42 42 GLU CA C 42 59.860 59.003 0.857 1
1 512 . 14 1 1 A 42 42 GLU CB C 42 29.286 28.948 0.338 1
1 514 . 14 1 1 A 42 42 GLU N N 42 117.512 120.037 -2.525 1
1 515 . 14 1 1 A 43 43 ASP H H 43 8.090 8.094 -0.004 1
1 516 . 14 1 1 A 43 43 ASP HA H 43 4.428 4.374 0.054 1
1 519 . 14 1 1 A 43 43 ASP C C 43 179.021 178.034 0.987 1
1 520 . 14 1 1 A 43 43 ASP CA C 43 57.460 57.301 0.159 1
1 521 . 14 1 1 A 43 43 ASP CB C 43 39.485 41.014 -1.529 1
1 522 . 14 1 1 A 43 43 ASP N N 43 122.750 120.977 1.773 1
1 523 . 14 1 1 A 44 44 ALA H H 44 8.807 8.503 0.304 1
1 524 . 14 1 1 A 44 44 ALA HA H 44 4.242 4.042 0.200 1
1 528 . 14 1 1 A 44 44 ALA C C 44 181.423 179.965 1.458 1
1 529 . 14 1 1 A 44 44 ALA CA C 44 55.260 55.198 0.062 1
1 530 . 14 1 1 A 44 44 ALA CB C 44 19.775 17.998 1.777 1
1 531 . 14 1 1 A 44 44 ALA N N 44 123.434 120.877 2.557 1
1 532 . 14 1 1 A 45 45 CYS H H 45 8.663 8.365 0.298 1
1 533 . 14 1 1 A 45 45 CYS HA H 45 4.039 4.195 -0.156 1
1 536 . 14 1 1 A 45 45 CYS C C 45 176.954 177.062 -0.108 1
1 537 . 14 1 1 A 45 45 CYS CA C 45 65.300 62.777 2.523 1
1 538 . 14 1 1 A 45 45 CYS CB C 45 26.940 26.209 0.731 1
1 539 . 14 1 1 A 45 45 CYS N N 45 115.424 116.206 -0.782 1
1 540 . 14 1 1 A 46 46 ALA H H 46 7.844 7.697 0.147 1
1 541 . 14 1 1 A 46 46 ALA HA H 46 4.274 4.070 0.204 1
1 545 . 14 1 1 A 46 46 ALA C C 46 180.730 180.467 0.263 1
1 546 . 14 1 1 A 46 46 ALA CA C 46 55.127 55.288 -0.161 1
1 547 . 14 1 1 A 46 46 ALA CB C 46 18.020 18.221 -0.201 1
1 548 . 14 1 1 A 46 46 ALA N N 46 122.366 122.555 -0.189 1
1 549 . 14 1 1 A 47 47 VAL H H 47 7.503 7.827 -0.324 1
1 550 . 14 1 1 A 47 47 VAL HA H 47 3.690 3.648 0.042 1
1 558 . 14 1 1 A 47 47 VAL C C 47 177.652 177.553 0.099 1
1 559 . 14 1 1 A 47 47 VAL CA C 47 65.530 66.542 -1.012 1
1 560 . 14 1 1 A 47 47 VAL CB C 47 32.140 31.760 0.380 1
1 563 . 14 1 1 A 47 47 VAL N N 47 116.850 119.117 -2.267 1
1 564 . 14 1 1 A 48 48 HIS H H 48 7.496 7.741 -0.245 1
1 565 . 14 1 1 A 48 48 HIS HA H 48 4.629 4.604 0.025 1
1 569 . 14 1 1 A 48 48 HIS C C 48 174.865 175.600 -0.735 1
1 570 . 14 1 1 A 48 48 HIS CA C 48 56.985 57.410 -0.425 1
1 571 . 14 1 1 A 48 48 HIS CB C 48 31.033 30.665 0.368 1
1 573 . 14 1 1 A 48 48 HIS N N 48 114.271 118.912 -4.641 1
1 574 . 14 1 1 A 49 49 GLY H H 49 7.846 8.097 -0.251 1
1 575 . 14 1 1 A 49 49 GLY HA2 H 49 4.002 3.819 0.183 1
1 576 . 14 1 1 A 49 49 GLY HA3 H 49 4.002 3.868 0.134 1
1 577 . 14 1 1 A 49 49 GLY C C 49 174.536 174.794 -0.258 1
1 578 . 14 1 1 A 49 49 GLY CA C 49 47.189 46.453 0.736 1
1 579 . 14 1 1 A 49 49 GLY N N 49 110.669 107.808 2.861 1
1 580 . 14 1 1 A 50 50 ILE H H 50 8.126 8.557 -0.431 1
1 581 . 14 1 1 A 50 50 ILE HA H 50 4.295 4.390 -0.095 1
1 591 . 14 1 1 A 50 50 ILE C C 50 175.038 175.050 -0.012 1
1 592 . 14 1 1 A 50 50 ILE CA C 50 59.759 60.441 -0.682 1
1 593 . 14 1 1 A 50 50 ILE CB C 50 41.222 39.108 2.114 1
1 597 . 14 1 1 A 50 50 ILE N N 50 119.905 120.871 -0.966 1
1 598 . 14 1 1 A 51 51 ASP H H 51 8.497 8.581 -0.084 1
1 599 . 14 1 1 A 51 51 ASP HA H 51 4.523 4.746 -0.223 1
1 602 . 14 1 1 A 51 51 ASP C C 51 175.978 176.561 -0.583 1
1 603 . 14 1 1 A 51 51 ASP CA C 51 54.100 52.934 1.166 1
1 604 . 14 1 1 A 51 51 ASP CB C 51 40.990 40.313 0.677 1
1 605 . 14 1 1 A 51 51 ASP N N 51 124.951 125.995 -1.044 1
1 606 . 14 1 1 A 52 52 ALA H H 52 8.791 8.840 -0.049 1
1 607 . 14 1 1 A 52 52 ALA HA H 52 4.329 4.027 0.302 1
1 611 . 14 1 1 A 52 52 ALA CA C 52 55.070 55.309 -0.239 1
1 612 . 14 1 1 A 52 52 ALA CB C 52 19.480 18.334 1.146 1
1 613 . 14 1 1 A 52 52 ALA N N 52 131.766 128.940 2.826 1
1 614 . 14 1 1 A 53 53 ASP H H 53 8.082 8.178 -0.096 1
1 615 . 14 1 1 A 53 53 ASP HA H 53 4.321 4.333 -0.012 1
1 618 . 14 1 1 A 53 53 ASP CA C 53 57.500 58.035 -0.535 1
1 619 . 14 1 1 A 53 53 ASP CB C 53 39.940 41.986 -2.046 1
1 620 . 14 1 1 A 53 53 ASP N N 53 116.960 118.634 -1.674 1
1 621 . 14 1 1 A 54 54 LYS H H 54 7.762 7.682 0.080 1
1 622 . 14 1 1 A 54 54 LYS HA H 54 3.958 4.038 -0.080 1
1 631 . 14 1 1 A 54 54 LYS C C 54 177.748 179.169 -1.421 1
1 632 . 14 1 1 A 54 54 LYS CA C 54 59.355 59.545 -0.190 1
1 633 . 14 1 1 A 54 54 LYS CB C 54 32.920 32.320 0.600 1
1 637 . 14 1 1 A 54 54 LYS N N 54 123.420 118.569 4.851 1
1 638 . 14 1 1 A 55 55 LEU H H 55 7.337 7.730 -0.393 1
1 639 . 14 1 1 A 55 55 LEU HA H 55 3.822 3.993 -0.171 1
1 649 . 14 1 1 A 55 55 LEU C C 55 177.966 178.334 -0.368 1
1 650 . 14 1 1 A 55 55 LEU CA C 55 58.258 58.349 -0.091 1
1 651 . 14 1 1 A 55 55 LEU CB C 55 41.908 41.679 0.229 1
1 655 . 14 1 1 A 55 55 LEU N N 55 119.522 121.654 -2.132 1
1 656 . 14 1 1 A 56 56 VAL H H 56 8.503 8.230 0.273 1
1 657 . 14 1 1 A 56 56 VAL HA H 56 3.378 3.541 -0.163 1
1 665 . 14 1 1 A 56 56 VAL C C 56 177.576 178.001 -0.425 1
1 666 . 14 1 1 A 56 56 VAL CA C 56 67.460 66.881 0.579 1
1 667 . 14 1 1 A 56 56 VAL CB C 56 31.560 31.399 0.161 1
1 670 . 14 1 1 A 56 56 VAL N N 56 117.548 119.370 -1.822 1
1 671 . 14 1 1 A 57 57 LYS H H 57 8.003 7.537 0.466 1
1 672 . 14 1 1 A 57 57 LYS HA H 57 4.200 3.826 0.374 1
1 681 . 14 1 1 A 57 57 LYS C C 57 179.196 180.035 -0.839 1
1 682 . 14 1 1 A 57 57 LYS CA C 57 60.130 60.519 -0.389 1
1 683 . 14 1 1 A 57 57 LYS CB C 57 32.383 32.388 -0.005 1
1 687 . 14 1 1 A 57 57 LYS N N 57 122.289 118.777 3.512 1
1 688 . 14 1 1 A 58 58 GLU H H 58 8.035 7.884 0.151 1
1 689 . 14 1 1 A 58 58 GLU HA H 58 4.010 4.021 -0.011 1
1 694 . 14 1 1 A 58 58 GLU CA C 58 59.975 59.117 0.858 1
1 695 . 14 1 1 A 58 58 GLU CB C 58 29.430 28.932 0.498 1
1 697 . 14 1 1 A 58 58 GLU N N 58 119.482 119.992 -0.510 1
1 698 . 14 1 1 A 59 59 LEU H H 59 8.560 8.062 0.498 1
1 699 . 14 1 1 A 59 59 LEU HA H 59 3.998 3.985 0.013 1
1 709 . 14 1 1 A 59 59 LEU C C 59 178.239 179.183 -0.944 1
1 710 . 14 1 1 A 59 59 LEU CA C 59 58.200 58.044 0.156 1
1 711 . 14 1 1 A 59 59 LEU CB C 59 42.695 41.393 1.302 1
1 715 . 14 1 1 A 59 59 LEU N N 59 121.725 120.650 1.075 1
1 716 . 14 1 1 A 60 60 ASN H H 60 8.684 8.612 0.072 1
1 717 . 14 1 1 A 60 60 ASN HA H 60 4.806 4.568 0.238 1
1 722 . 14 1 1 A 60 60 ASN C C 60 178.495 178.352 0.143 1
1 723 . 14 1 1 A 60 60 ASN CA C 60 57.895 56.694 1.201 1
1 724 . 14 1 1 A 60 60 ASN CB C 60 38.528 38.035 0.493 1
1 725 . 14 1 1 A 60 60 ASN N N 60 117.410 117.727 -0.317 1
1 727 . 14 1 1 A 61 61 GLU H H 61 8.602 8.268 0.334 1
1 728 . 14 1 1 A 61 61 GLU HA H 61 4.040 4.100 -0.060 1
1 733 . 14 1 1 A 61 61 GLU C C 61 178.325 178.625 -0.300 1
1 734 . 14 1 1 A 61 61 GLU CA C 61 59.814 59.545 0.269 1
1 735 . 14 1 1 A 61 61 GLU CB C 61 29.610 29.603 0.007 1
1 737 . 14 1 1 A 61 61 GLU N N 61 121.480 119.618 1.862 1
1 738 . 14 1 1 A 62 62 TYR H H 62 7.698 7.841 -0.143 1
1 739 . 14 1 1 A 62 62 TYR HA H 62 3.978 4.242 -0.264 1
1 746 . 14 1 1 A 62 62 TYR C C 62 177.947 177.702 0.245 1
1 747 . 14 1 1 A 62 62 TYR CA C 62 61.600 61.307 0.293 1
1 748 . 14 1 1 A 62 62 TYR CB C 62 37.513 38.139 -0.626 1
1 753 . 14 1 1 A 62 62 TYR N N 62 120.683 121.088 -0.405 1
1 754 . 14 1 1 A 63 63 PHE H H 63 7.982 7.975 0.007 1
1 755 . 14 1 1 A 63 63 PHE HA H 63 3.932 4.039 -0.107 1
1 763 . 14 1 1 A 63 63 PHE CA C 63 63.262 62.295 0.967 1
1 764 . 14 1 1 A 63 63 PHE CB C 63 39.120 38.203 0.917 1
1 770 . 14 1 1 A 63 63 PHE N N 63 117.730 117.944 -0.214 1
1 771 . 14 1 1 A 64 64 GLU H H 64 8.554 8.149 0.405 1
1 772 . 14 1 1 A 64 64 GLU HA H 64 4.095 3.959 0.136 1
1 777 . 14 1 1 A 64 64 GLU C C 64 178.921 179.360 -0.439 1
1 778 . 14 1 1 A 64 64 GLU CA C 64 59.322 59.925 -0.603 1
1 779 . 14 1 1 A 64 64 GLU CB C 64 29.670 29.098 0.572 1
1 781 . 14 1 1 A 64 64 GLU N N 64 121.392 120.360 1.032 1
1 782 . 14 1 1 A 65 65 LYS H H 65 7.850 7.656 0.194 1
1 783 . 14 1 1 A 65 65 LYS HA H 65 3.982 4.056 -0.074 1
1 792 . 14 1 1 A 65 65 LYS C C 65 178.374 179.481 -1.107 1
1 793 . 14 1 1 A 65 65 LYS CA C 65 58.638 59.630 -0.992 1
1 794 . 14 1 1 A 65 65 LYS CB C 65 32.110 32.015 0.095 1
1 798 . 14 1 1 A 65 65 LYS N N 65 118.746 119.825 -1.079 1
1 799 . 14 1 1 A 66 66 LYS H H 66 7.503 7.339 0.164 1
1 800 . 14 1 1 A 66 66 LYS HA H 66 3.880 3.819 0.061 1
1 809 . 14 1 1 A 66 66 LYS C C 66 177.925 179.896 -1.971 1
1 810 . 14 1 1 A 66 66 LYS CA C 66 58.590 60.048 -1.458 1
1 811 . 14 1 1 A 66 66 LYS CB C 66 32.560 32.150 0.410 1
1 815 . 14 1 1 A 66 66 LYS N N 66 119.241 119.900 -0.659 1
1 816 . 14 1 1 A 67 67 GLU H H 67 7.876 8.396 -0.520 1
1 817 . 14 1 1 A 67 67 GLU HA H 67 4.097 4.013 0.084 1
1 822 . 14 1 1 A 67 67 GLU C C 67 178.016 179.060 -1.044 1
1 823 . 14 1 1 A 67 67 GLU CA C 67 58.280 58.940 -0.660 1
1 824 . 14 1 1 A 67 67 GLU CB C 67 29.802 29.287 0.515 1
1 826 . 14 1 1 A 67 67 GLU N N 67 119.096 120.233 -1.137 1
1 827 . 14 1 1 A 68 68 VAL H H 68 7.719 7.456 0.263 1
1 828 . 14 1 1 A 68 68 VAL HA H 68 3.797 3.594 0.203 1
1 836 . 14 1 1 A 68 68 VAL C C 68 177.668 177.725 -0.057 1
1 837 . 14 1 1 A 68 68 VAL CA C 68 64.600 66.100 -1.500 1
1 838 . 14 1 1 A 68 68 VAL CB C 68 32.050 31.735 0.315 1
1 841 . 14 1 1 A 68 68 VAL N N 68 119.409 121.295 -1.886 1
1 842 . 14 1 1 A 69 69 LEU H H 69 7.911 8.433 -0.522 1
1 843 . 14 1 1 A 69 69 LEU HA H 69 4.127 3.776 0.351 1
1 853 . 14 1 1 A 69 69 LEU C C 69 178.438 178.812 -0.374 1
1 854 . 14 1 1 A 69 69 LEU CA C 69 56.461 58.361 -1.900 1
1 855 . 14 1 1 A 69 69 LEU CB C 69 42.153 41.546 0.607 1
1 859 . 14 1 1 A 69 69 LEU N N 69 122.199 119.300 2.899 1
1 14 . 15 1 1 A 2 2 LYS H H 2 8.383 8.950 -0.567 1
1 15 . 15 1 1 A 2 2 LYS HA H 2 4.314 4.762 -0.448 1
1 24 . 15 1 1 A 2 2 LYS C C 2 175.001 175.664 -0.663 1
1 25 . 15 1 1 A 2 2 LYS CA C 2 56.188 54.741 1.447 1
1 26 . 15 1 1 A 2 2 LYS CB C 2 33.481 34.050 -0.569 1
1 30 . 15 1 1 A 2 2 LYS N N 2 124.593 125.439 -0.846 1
1 31 . 15 1 1 A 3 3 ILE H H 3 9.639 8.698 0.941 1
1 32 . 15 1 1 A 3 3 ILE HA H 3 4.510 4.297 0.213 1
1 42 . 15 1 1 A 3 3 ILE C C 3 176.337 175.716 0.621 1
1 43 . 15 1 1 A 3 3 ILE CA C 3 58.009 62.221 -4.212 1
1 44 . 15 1 1 A 3 3 ILE CB C 3 36.405 37.837 -1.432 1
1 48 . 15 1 1 A 3 3 ILE N N 3 124.160 127.863 -3.703 1
1 49 . 15 1 1 A 4 4 THR H H 4 7.637 8.035 -0.398 1
1 50 . 15 1 1 A 4 4 THR HA H 4 4.795 4.943 -0.148 1
1 55 . 15 1 1 A 4 4 THR C C 4 175.818 175.148 0.670 1
1 56 . 15 1 1 A 4 4 THR CA C 4 59.550 59.227 0.323 1
1 57 . 15 1 1 A 4 4 THR CB C 4 71.365 71.655 -0.290 1
1 59 . 15 1 1 A 4 4 THR N N 4 115.631 117.331 -1.700 1
1 60 . 15 1 1 A 5 5 LYS H H 5 9.100 8.992 0.108 1
1 61 . 15 1 1 A 5 5 LYS HA H 5 3.910 4.120 -0.210 1
1 70 . 15 1 1 A 5 5 LYS C C 5 173.504 178.338 -4.834 1
1 71 . 15 1 1 A 5 5 LYS CA C 5 58.730 58.555 0.175 1
1 72 . 15 1 1 A 5 5 LYS CB C 5 32.584 31.999 0.585 1
1 76 . 15 1 1 A 5 5 LYS N N 5 117.257 119.233 -1.976 1
1 77 . 15 1 1 A 6 6 ASP H H 6 8.542 7.631 0.911 1
1 78 . 15 1 1 A 6 6 ASP HA H 6 4.577 4.682 -0.105 1
1 81 . 15 1 1 A 6 6 ASP C C 6 176.227 176.521 -0.294 1
1 82 . 15 1 1 A 6 6 ASP CA C 6 53.772 56.106 -2.334 1
1 83 . 15 1 1 A 6 6 ASP CB C 6 40.478 41.079 -0.601 1
1 84 . 15 1 1 A 6 6 ASP N N 6 115.528 119.664 -4.136 1
1 85 . 15 1 1 A 7 7 MET H H 7 7.545 7.612 -0.067 1
1 86 . 15 1 1 A 7 7 MET HA H 7 4.037 4.647 -0.610 1
1 94 . 15 1 1 A 7 7 MET C C 7 174.214 175.887 -1.673 1
1 95 . 15 1 1 A 7 7 MET CA C 7 57.578 54.992 2.586 1
1 96 . 15 1 1 A 7 7 MET CB C 7 33.295 33.698 -0.403 1
1 99 . 15 1 1 A 7 7 MET N N 7 119.925 118.778 1.147 1
1 100 . 15 1 1 A 8 8 ILE H H 8 8.721 8.615 0.106 1
1 101 . 15 1 1 A 8 8 ILE HA H 8 4.110 4.127 -0.017 1
1 111 . 15 1 1 A 8 8 ILE C C 8 178.731 176.396 2.335 1
1 112 . 15 1 1 A 8 8 ILE CA C 8 59.060 61.579 -2.519 1
1 113 . 15 1 1 A 8 8 ILE CB C 8 36.472 37.927 -1.455 1
1 117 . 15 1 1 A 8 8 ILE N N 8 121.085 123.033 -1.948 1
1 118 . 15 1 1 A 9 9 ILE H H 9 8.522 8.307 0.215 1
1 119 . 15 1 1 A 9 9 ILE HA H 9 3.238 3.628 -0.390 1
1 129 . 15 1 1 A 9 9 ILE C C 9 178.227 177.440 0.787 1
1 130 . 15 1 1 A 9 9 ILE CA C 9 67.720 65.203 2.517 1
1 131 . 15 1 1 A 9 9 ILE CB C 9 37.078 37.462 -0.384 1
1 135 . 15 1 1 A 9 9 ILE N N 9 128.907 124.792 4.115 1
1 136 . 15 1 1 A 10 10 ALA H H 10 8.578 8.223 0.355 1
1 137 . 15 1 1 A 10 10 ALA HA H 10 3.837 3.941 -0.104 1
1 141 . 15 1 1 A 10 10 ALA C C 10 179.790 179.422 0.368 1
1 142 . 15 1 1 A 10 10 ALA CA C 10 55.447 55.129 0.318 1
1 143 . 15 1 1 A 10 10 ALA CB C 10 19.000 18.188 0.812 1
1 144 . 15 1 1 A 10 10 ALA N N 10 118.416 121.322 -2.906 1
1 145 . 15 1 1 A 11 11 ASP H H 11 7.100 8.066 -0.966 1
1 146 . 15 1 1 A 11 11 ASP HA H 11 4.380 4.409 -0.029 1
1 149 . 15 1 1 A 11 11 ASP C C 11 178.903 178.532 0.371 1
1 150 . 15 1 1 A 11 11 ASP CA C 11 56.979 57.321 -0.342 1
1 151 . 15 1 1 A 11 11 ASP CB C 11 39.520 41.379 -1.859 1
1 152 . 15 1 1 A 11 11 ASP N N 11 116.224 119.029 -2.805 1
1 153 . 15 1 1 A 12 12 VAL H H 12 7.723 8.043 -0.320 1
1 154 . 15 1 1 A 12 12 VAL HA H 12 3.862 3.810 0.052 1
1 162 . 15 1 1 A 12 12 VAL C C 12 177.664 178.281 -0.617 1
1 163 . 15 1 1 A 12 12 VAL CA C 12 66.656 66.601 0.055 1
1 164 . 15 1 1 A 12 12 VAL CB C 12 31.980 31.677 0.303 1
1 167 . 15 1 1 A 12 12 VAL N N 12 123.054 119.674 3.380 1
1 168 . 15 1 1 A 13 13 LEU H H 13 7.995 8.278 -0.283 1
1 169 . 15 1 1 A 13 13 LEU HA H 13 3.945 4.112 -0.167 1
1 179 . 15 1 1 A 13 13 LEU C C 13 175.458 179.838 -4.380 1
1 180 . 15 1 1 A 13 13 LEU CA C 13 57.259 57.831 -0.572 1
1 181 . 15 1 1 A 13 13 LEU CB C 13 42.140 40.896 1.244 1
1 185 . 15 1 1 A 13 13 LEU N N 13 118.291 120.114 -1.823 1
1 186 . 15 1 1 A 14 14 GLN H H 14 7.580 7.923 -0.343 1
1 187 . 15 1 1 A 14 14 GLN HA H 14 3.988 4.221 -0.233 1
1 194 . 15 1 1 A 14 14 GLN C C 14 178.311 179.184 -0.873 1
1 195 . 15 1 1 A 14 14 GLN CA C 14 57.659 58.864 -1.205 1
1 196 . 15 1 1 A 14 14 GLN CB C 14 28.700 28.020 0.680 1
1 198 . 15 1 1 A 14 14 GLN N N 14 114.621 118.532 -3.911 1
1 200 . 15 1 1 A 15 15 MET H H 15 7.675 7.734 -0.059 1
1 201 . 15 1 1 A 15 15 MET HA H 15 4.069 4.377 -0.308 1
1 209 . 15 1 1 A 15 15 MET C C 15 177.780 176.301 1.479 1
1 210 . 15 1 1 A 15 15 MET CA C 15 59.420 58.835 0.585 1
1 211 . 15 1 1 A 15 15 MET CB C 15 33.423 33.676 -0.253 1
1 214 . 15 1 1 A 15 15 MET N N 15 119.587 118.321 1.266 1
1 215 . 15 1 1 A 16 16 ASP H H 16 7.520 7.928 -0.408 1
1 216 . 15 1 1 A 16 16 ASP HA H 16 4.613 5.010 -0.397 1
1 219 . 15 1 1 A 16 16 ASP C C 16 175.706 175.669 0.037 1
1 220 . 15 1 1 A 16 16 ASP CA C 16 55.090 53.961 1.129 1
1 221 . 15 1 1 A 16 16 ASP CB C 16 43.460 43.805 -0.345 1
1 222 . 15 1 1 A 16 16 ASP N N 16 113.838 116.198 -2.360 1
1 223 . 15 1 1 A 17 17 ARG H H 17 9.352 8.922 0.430 1
1 224 . 15 1 1 A 17 17 ARG HA H 17 4.253 4.097 0.156 1
1 231 . 15 1 1 A 17 17 ARG C C 17 178.889 178.019 0.870 1
1 232 . 15 1 1 A 17 17 ARG CA C 17 58.566 58.964 -0.398 1
1 233 . 15 1 1 A 17 17 ARG CB C 17 29.280 29.779 -0.499 1
1 236 . 15 1 1 A 17 17 ARG N N 17 131.098 125.538 5.560 1
1 237 . 15 1 1 A 18 18 GLY H H 18 9.534 8.052 1.482 1
1 238 . 15 1 1 A 18 18 GLY HA2 H 18 3.857 3.906 -0.049 1
1 239 . 15 1 1 A 18 18 GLY HA3 H 18 3.946 3.981 -0.035 1
1 240 . 15 1 1 A 18 18 GLY C C 18 173.747 175.360 -1.613 1
1 241 . 15 1 1 A 18 18 GLY CA C 18 45.820 46.023 -0.203 1
1 242 . 15 1 1 A 18 18 GLY N N 18 111.218 108.275 2.943 1
1 243 . 15 1 1 A 19 19 THR H H 19 7.486 7.639 -0.153 1
1 244 . 15 1 1 A 19 19 THR HA H 19 3.293 3.659 -0.366 1
1 249 . 15 1 1 A 19 19 THR C C 19 177.067 176.736 0.331 1
1 250 . 15 1 1 A 19 19 THR CA C 19 63.090 64.141 -1.051 1
1 251 . 15 1 1 A 19 19 THR CB C 19 69.960 68.348 1.612 1
1 253 . 15 1 1 A 19 19 THR N N 19 106.889 111.987 -5.098 1
1 254 . 15 1 1 A 20 20 ALA H H 20 7.648 8.143 -0.495 1
1 255 . 15 1 1 A 20 20 ALA HA H 20 4.246 4.304 -0.058 1
1 259 . 15 1 1 A 20 20 ALA CA C 20 57.780 57.131 0.649 1
1 260 . 15 1 1 A 20 20 ALA CB C 20 15.960 16.984 -1.024 1
1 261 . 15 1 1 A 20 20 ALA N N 20 125.258 124.817 0.441 1
1 262 . 15 1 1 A 21 21 PRO HA H 21 4.169 4.322 -0.153 1
1 269 . 15 1 1 A 21 21 PRO C C 21 177.812 178.979 -1.167 1
1 270 . 15 1 1 A 21 21 PRO CA C 21 65.630 65.362 0.268 1
1 271 . 15 1 1 A 21 21 PRO CB C 21 31.220 31.022 0.198 1
1 274 . 15 1 1 A 22 22 ILE H H 22 7.120 7.209 -0.089 1
1 275 . 15 1 1 A 22 22 ILE HA H 22 3.622 3.745 -0.123 1
1 285 . 15 1 1 A 22 22 ILE C C 22 179.561 178.040 1.521 1
1 286 . 15 1 1 A 22 22 ILE CA C 22 64.640 63.961 0.679 1
1 287 . 15 1 1 A 22 22 ILE CB C 22 37.200 37.388 -0.188 1
1 291 . 15 1 1 A 22 22 ILE N N 22 117.089 117.042 0.047 1
1 292 . 15 1 1 A 23 23 PHE H H 23 7.411 7.793 -0.382 1
1 293 . 15 1 1 A 23 23 PHE HA H 23 3.919 4.318 -0.399 1
1 301 . 15 1 1 A 23 23 PHE C C 23 178.486 178.167 0.319 1
1 302 . 15 1 1 A 23 23 PHE CA C 23 63.450 60.780 2.670 1
1 303 . 15 1 1 A 23 23 PHE CB C 23 38.740 38.932 -0.192 1
1 309 . 15 1 1 A 23 23 PHE N N 23 118.753 118.873 -0.120 1
1 310 . 15 1 1 A 24 24 ILE H H 24 8.077 8.456 -0.379 1
1 311 . 15 1 1 A 24 24 ILE HA H 24 3.503 4.036 -0.533 1
1 321 . 15 1 1 A 24 24 ILE C C 24 180.431 177.901 2.530 1
1 322 . 15 1 1 A 24 24 ILE CA C 24 64.997 65.753 -0.756 1
1 323 . 15 1 1 A 24 24 ILE CB C 24 38.110 37.677 0.433 1
1 327 . 15 1 1 A 24 24 ILE N N 24 120.410 119.762 0.648 1
1 328 . 15 1 1 A 25 25 ASN H H 25 8.971 8.459 0.512 1
1 329 . 15 1 1 A 25 25 ASN HA H 25 4.453 4.377 0.076 1
1 334 . 15 1 1 A 25 25 ASN C C 25 176.784 177.020 -0.236 1
1 335 . 15 1 1 A 25 25 ASN CA C 25 55.321 56.936 -1.615 1
1 336 . 15 1 1 A 25 25 ASN CB C 25 37.880 39.822 -1.942 1
1 337 . 15 1 1 A 25 25 ASN N N 25 120.191 119.473 0.718 1
1 339 . 15 1 1 A 26 26 ASN H H 26 7.315 7.783 -0.468 1
1 340 . 15 1 1 A 26 26 ASN HA H 26 4.601 4.765 -0.164 1
1 345 . 15 1 1 A 26 26 ASN C C 26 173.732 175.411 -1.679 1
1 346 . 15 1 1 A 26 26 ASN CA C 26 54.840 53.154 1.686 1
1 347 . 15 1 1 A 26 26 ASN CB C 26 40.890 39.241 1.649 1
1 348 . 15 1 1 A 26 26 ASN N N 26 116.500 114.925 1.575 1
1 350 . 15 1 1 A 27 27 GLY H H 27 7.880 7.883 -0.003 1
1 351 . 15 1 1 A 27 27 GLY HA2 H 27 4.305 4.056 0.249 1
1 352 . 15 1 1 A 27 27 GLY HA3 H 27 3.570 4.068 -0.498 1
1 353 . 15 1 1 A 27 27 GLY CA C 27 45.308 44.980 0.328 1
1 354 . 15 1 1 A 27 27 GLY N N 27 104.918 105.630 -0.712 1
1 355 . 15 1 1 A 28 28 MET H H 28 7.948 8.110 -0.162 1
1 356 . 15 1 1 A 28 28 MET HA H 28 4.190 4.569 -0.379 1
1 364 . 15 1 1 A 28 28 MET C C 28 174.147 175.793 -1.646 1
1 365 . 15 1 1 A 28 28 MET CA C 28 54.335 55.695 -1.360 1
1 366 . 15 1 1 A 28 28 MET CB C 28 31.978 33.301 -1.323 1
1 369 . 15 1 1 A 28 28 MET N N 28 120.940 120.587 0.353 1
1 370 . 15 1 1 A 29 29 HIS H H 29 7.994 8.674 -0.680 1
1 371 . 15 1 1 A 29 29 HIS HA H 29 4.592 4.689 -0.097 1
1 375 . 15 1 1 A 29 29 HIS C C 29 177.664 174.701 2.963 1
1 376 . 15 1 1 A 29 29 HIS CA C 29 56.178 56.741 -0.563 1
1 377 . 15 1 1 A 29 29 HIS CB C 29 30.190 31.054 -0.864 1
1 378 . 15 1 1 A 29 29 HIS N N 29 121.779 121.914 -0.135 1
1 379 . 15 1 1 A 30 30 CYS H H 30 7.867 7.819 0.048 1
1 380 . 15 1 1 A 30 30 CYS HA H 30 4.555 4.337 0.218 1
1 383 . 15 1 1 A 30 30 CYS C C 30 174.265 174.598 -0.333 1
1 384 . 15 1 1 A 30 30 CYS CA C 30 57.398 58.610 -1.212 1
1 385 . 15 1 1 A 30 30 CYS CB C 30 28.234 29.347 -1.113 1
1 386 . 15 1 1 A 30 30 CYS N N 30 116.200 123.153 -6.953 1
1 387 . 15 1 1 A 31 31 LEU H H 31 7.845 8.408 -0.563 1
1 388 . 15 1 1 A 31 31 LEU HA H 31 4.045 4.180 -0.135 1
1 398 . 15 1 1 A 31 31 LEU C C 31 177.285 177.185 0.100 1
1 399 . 15 1 1 A 31 31 LEU CA C 31 56.415 56.302 0.113 1
1 400 . 15 1 1 A 31 31 LEU CB C 31 41.172 42.067 -0.895 1
1 404 . 15 1 1 A 31 31 LEU N N 31 122.518 123.529 -1.011 1
1 405 . 15 1 1 A 32 32 GLY H H 32 8.292 8.224 0.068 1
1 406 . 15 1 1 A 32 32 GLY HA2 H 32 3.852 4.021 -0.169 1
1 407 . 15 1 1 A 32 32 GLY HA3 H 32 3.852 4.087 -0.235 1
1 408 . 15 1 1 A 32 32 GLY C C 32 173.868 174.879 -1.011 1
1 409 . 15 1 1 A 32 32 GLY CA C 32 45.182 45.554 -0.372 1
1 410 . 15 1 1 A 32 32 GLY N N 32 108.193 112.556 -4.363 1
1 411 . 15 1 1 A 33 33 CYS H H 33 7.747 8.037 -0.290 1
1 412 . 15 1 1 A 33 33 CYS HA H 33 4.826 4.519 0.307 1
1 415 . 15 1 1 A 33 33 CYS CA C 33 56.005 57.476 -1.471 1
1 416 . 15 1 1 A 33 33 CYS CB C 33 27.330 27.913 -0.583 1
1 417 . 15 1 1 A 33 33 CYS N N 33 120.574 119.988 0.586 1
1 418 . 15 1 1 A 34 34 PRO HA H 34 4.179 4.302 -0.123 1
1 425 . 15 1 1 A 34 34 PRO C C 34 178.582 178.424 0.158 1
1 426 . 15 1 1 A 34 34 PRO CA C 34 65.610 65.025 0.585 1
1 427 . 15 1 1 A 34 34 PRO CB C 34 32.071 31.997 0.074 1
1 430 . 15 1 1 A 35 35 SER H H 35 8.315 8.276 0.039 1
1 431 . 15 1 1 A 35 35 SER HA H 35 4.209 4.192 0.017 1
1 434 . 15 1 1 A 35 35 SER C C 35 177.910 176.948 0.962 1
1 435 . 15 1 1 A 35 35 SER CA C 35 60.704 61.569 -0.865 1
1 436 . 15 1 1 A 35 35 SER CB C 35 62.590 62.535 0.055 1
1 437 . 15 1 1 A 35 35 SER N N 35 112.899 113.214 -0.315 1
1 438 . 15 1 1 A 36 36 SER H H 36 7.903 8.162 -0.259 1
1 439 . 15 1 1 A 36 36 SER HA H 36 4.432 4.302 0.130 1
1 442 . 15 1 1 A 36 36 SER C C 36 175.084 176.330 -1.246 1
1 443 . 15 1 1 A 36 36 SER CA C 36 60.336 61.396 -1.060 1
1 444 . 15 1 1 A 36 36 SER CB C 36 63.920 62.897 1.023 1
1 445 . 15 1 1 A 36 36 SER N N 36 117.747 116.544 1.203 1
1 446 . 15 1 1 A 37 37 MET H H 37 7.646 7.996 -0.350 1
1 447 . 15 1 1 A 37 37 MET HA H 37 4.114 4.072 0.042 1
1 455 . 15 1 1 A 37 37 MET C C 37 175.617 177.990 -2.373 1
1 456 . 15 1 1 A 37 37 MET CA C 37 56.922 58.711 -1.789 1
1 457 . 15 1 1 A 37 37 MET CB C 37 32.891 33.441 -0.550 1
1 460 . 15 1 1 A 37 37 MET N N 37 117.790 119.638 -1.848 1
1 461 . 15 1 1 A 38 38 GLY H H 38 7.742 7.972 -0.230 1
1 462 . 15 1 1 A 38 38 GLY HA2 H 38 4.156 3.943 0.213 1
1 463 . 15 1 1 A 38 38 GLY HA3 H 38 3.623 3.945 -0.322 1
1 464 . 15 1 1 A 38 38 GLY C C 38 174.147 173.912 0.235 1
1 465 . 15 1 1 A 38 38 GLY CA C 38 45.260 45.264 -0.004 1
1 466 . 15 1 1 A 38 38 GLY N N 38 104.897 107.608 -2.711 1
1 467 . 15 1 1 A 39 39 GLU H H 39 7.288 7.565 -0.277 1
1 468 . 15 1 1 A 39 39 GLU HA H 39 4.539 4.965 -0.426 1
1 473 . 15 1 1 A 39 39 GLU C C 39 173.845 175.684 -1.839 1
1 474 . 15 1 1 A 39 39 GLU CA C 39 54.885 54.877 0.008 1
1 475 . 15 1 1 A 39 39 GLU CB C 39 31.980 32.491 -0.511 1
1 477 . 15 1 1 A 39 39 GLU N N 39 119.469 119.566 -0.097 1
1 478 . 15 1 1 A 40 40 SER H H 40 9.174 8.778 0.396 1
1 479 . 15 1 1 A 40 40 SER HA H 40 4.847 4.791 0.056 1
1 482 . 15 1 1 A 40 40 SER C C 40 175.082 175.803 -0.721 1
1 483 . 15 1 1 A 40 40 SER CA C 40 56.757 59.136 -2.379 1
1 484 . 15 1 1 A 40 40 SER CB C 40 65.397 63.936 1.461 1
1 485 . 15 1 1 A 40 40 SER N N 40 115.819 117.690 -1.871 1
1 486 . 15 1 1 A 41 41 ILE H H 41 8.739 8.900 -0.161 1
1 487 . 15 1 1 A 41 41 ILE HA H 41 3.512 3.789 -0.277 1
1 497 . 15 1 1 A 41 41 ILE C C 41 178.832 177.688 1.144 1
1 498 . 15 1 1 A 41 41 ILE CA C 41 67.190 65.721 1.469 1
1 499 . 15 1 1 A 41 41 ILE CB C 41 38.460 37.959 0.501 1
1 503 . 15 1 1 A 41 41 ILE N N 41 121.236 124.540 -3.304 1
1 504 . 15 1 1 A 42 42 GLU H H 42 8.932 8.883 0.049 1
1 505 . 15 1 1 A 42 42 GLU HA H 42 3.826 4.062 -0.236 1
1 510 . 15 1 1 A 42 42 GLU C C 42 178.134 178.528 -0.394 1
1 511 . 15 1 1 A 42 42 GLU CA C 42 59.860 59.260 0.600 1
1 512 . 15 1 1 A 42 42 GLU CB C 42 29.286 29.065 0.221 1
1 514 . 15 1 1 A 42 42 GLU N N 42 117.512 119.996 -2.484 1
1 515 . 15 1 1 A 43 43 ASP H H 43 8.090 8.125 -0.035 1
1 516 . 15 1 1 A 43 43 ASP HA H 43 4.428 4.362 0.066 1
1 519 . 15 1 1 A 43 43 ASP C C 43 179.021 178.030 0.991 1
1 520 . 15 1 1 A 43 43 ASP CA C 43 57.460 57.414 0.046 1
1 521 . 15 1 1 A 43 43 ASP CB C 43 39.485 41.132 -1.647 1
1 522 . 15 1 1 A 43 43 ASP N N 43 122.750 120.819 1.931 1
1 523 . 15 1 1 A 44 44 ALA H H 44 8.807 8.150 0.657 1
1 524 . 15 1 1 A 44 44 ALA HA H 44 4.242 4.133 0.109 1
1 528 . 15 1 1 A 44 44 ALA C C 44 181.423 179.721 1.702 1
1 529 . 15 1 1 A 44 44 ALA CA C 44 55.260 55.196 0.064 1
1 530 . 15 1 1 A 44 44 ALA CB C 44 19.775 18.246 1.529 1
1 531 . 15 1 1 A 44 44 ALA N N 44 123.434 120.885 2.549 1
1 532 . 15 1 1 A 45 45 CYS H H 45 8.663 8.281 0.382 1
1 533 . 15 1 1 A 45 45 CYS HA H 45 4.039 4.196 -0.157 1
1 536 . 15 1 1 A 45 45 CYS C C 45 176.954 177.193 -0.239 1
1 537 . 15 1 1 A 45 45 CYS CA C 45 65.300 62.972 2.328 1
1 538 . 15 1 1 A 45 45 CYS CB C 45 26.940 26.599 0.341 1
1 539 . 15 1 1 A 45 45 CYS N N 45 115.424 116.236 -0.812 1
1 540 . 15 1 1 A 46 46 ALA H H 46 7.844 8.263 -0.419 1
1 541 . 15 1 1 A 46 46 ALA HA H 46 4.274 4.080 0.194 1
1 545 . 15 1 1 A 46 46 ALA C C 46 180.730 180.256 0.474 1
1 546 . 15 1 1 A 46 46 ALA CA C 46 55.127 55.166 -0.039 1
1 547 . 15 1 1 A 46 46 ALA CB C 46 18.020 18.224 -0.204 1
1 548 . 15 1 1 A 46 46 ALA N N 46 122.366 122.693 -0.327 1
1 549 . 15 1 1 A 47 47 VAL H H 47 7.503 7.910 -0.407 1
1 550 . 15 1 1 A 47 47 VAL HA H 47 3.690 3.545 0.145 1
1 558 . 15 1 1 A 47 47 VAL C C 47 177.652 177.334 0.318 1
1 559 . 15 1 1 A 47 47 VAL CA C 47 65.530 66.466 -0.936 1
1 560 . 15 1 1 A 47 47 VAL CB C 47 32.140 31.645 0.495 1
1 563 . 15 1 1 A 47 47 VAL N N 47 116.850 119.012 -2.162 1
1 564 . 15 1 1 A 48 48 HIS H H 48 7.496 7.385 0.111 1
1 565 . 15 1 1 A 48 48 HIS HA H 48 4.629 4.661 -0.032 1
1 569 . 15 1 1 A 48 48 HIS C C 48 174.865 174.867 -0.002 1
1 570 . 15 1 1 A 48 48 HIS CA C 48 56.985 55.950 1.035 1
1 571 . 15 1 1 A 48 48 HIS CB C 48 31.033 29.977 1.056 1
1 573 . 15 1 1 A 48 48 HIS N N 48 114.271 116.111 -1.840 1
1 574 . 15 1 1 A 49 49 GLY H H 49 7.846 7.849 -0.003 1
1 575 . 15 1 1 A 49 49 GLY HA2 H 49 4.002 3.885 0.117 1
1 576 . 15 1 1 A 49 49 GLY HA3 H 49 4.002 3.894 0.108 1
1 577 . 15 1 1 A 49 49 GLY C C 49 174.536 174.766 -0.230 1
1 578 . 15 1 1 A 49 49 GLY CA C 49 47.189 46.463 0.726 1
1 579 . 15 1 1 A 49 49 GLY N N 49 110.669 109.280 1.389 1
1 580 . 15 1 1 A 50 50 ILE H H 50 8.126 8.345 -0.219 1
1 581 . 15 1 1 A 50 50 ILE HA H 50 4.295 4.107 0.188 1
1 591 . 15 1 1 A 50 50 ILE C C 50 175.038 175.677 -0.639 1
1 592 . 15 1 1 A 50 50 ILE CA C 50 59.759 61.174 -1.415 1
1 593 . 15 1 1 A 50 50 ILE CB C 50 41.222 38.687 2.535 1
1 597 . 15 1 1 A 50 50 ILE N N 50 119.905 122.400 -2.495 1
1 598 . 15 1 1 A 51 51 ASP H H 51 8.497 8.582 -0.085 1
1 599 . 15 1 1 A 51 51 ASP HA H 51 4.523 4.770 -0.247 1
1 602 . 15 1 1 A 51 51 ASP C C 51 175.978 176.459 -0.481 1
1 603 . 15 1 1 A 51 51 ASP CA C 51 54.100 52.706 1.394 1
1 604 . 15 1 1 A 51 51 ASP CB C 51 40.990 40.300 0.690 1
1 605 . 15 1 1 A 51 51 ASP N N 51 124.951 126.070 -1.119 1
1 606 . 15 1 1 A 52 52 ALA H H 52 8.791 8.824 -0.033 1
1 607 . 15 1 1 A 52 52 ALA HA H 52 4.329 4.049 0.280 1
1 611 . 15 1 1 A 52 52 ALA CA C 52 55.070 55.272 -0.202 1
1 612 . 15 1 1 A 52 52 ALA CB C 52 19.480 18.232 1.248 1
1 613 . 15 1 1 A 52 52 ALA N N 52 131.766 128.477 3.289 1
1 614 . 15 1 1 A 53 53 ASP H H 53 8.082 8.225 -0.143 1
1 615 . 15 1 1 A 53 53 ASP HA H 53 4.321 4.363 -0.042 1
1 618 . 15 1 1 A 53 53 ASP CA C 53 57.500 57.978 -0.478 1
1 619 . 15 1 1 A 53 53 ASP CB C 53 39.940 42.275 -2.335 1
1 620 . 15 1 1 A 53 53 ASP N N 53 116.960 118.553 -1.593 1
1 621 . 15 1 1 A 54 54 LYS H H 54 7.762 7.986 -0.224 1
1 622 . 15 1 1 A 54 54 LYS HA H 54 3.958 4.083 -0.125 1
1 631 . 15 1 1 A 54 54 LYS C C 54 177.748 179.271 -1.523 1
1 632 . 15 1 1 A 54 54 LYS CA C 54 59.355 59.413 -0.058 1
1 633 . 15 1 1 A 54 54 LYS CB C 54 32.920 32.418 0.502 1
1 637 . 15 1 1 A 54 54 LYS N N 54 123.420 118.829 4.591 1
1 638 . 15 1 1 A 55 55 LEU H H 55 7.337 7.693 -0.356 1
1 639 . 15 1 1 A 55 55 LEU HA H 55 3.822 3.970 -0.148 1
1 649 . 15 1 1 A 55 55 LEU C C 55 177.966 178.236 -0.270 1
1 650 . 15 1 1 A 55 55 LEU CA C 55 58.258 58.383 -0.125 1
1 651 . 15 1 1 A 55 55 LEU CB C 55 41.908 41.629 0.279 1
1 655 . 15 1 1 A 55 55 LEU N N 55 119.522 121.703 -2.181 1
1 656 . 15 1 1 A 56 56 VAL H H 56 8.503 8.382 0.121 1
1 657 . 15 1 1 A 56 56 VAL HA H 56 3.378 3.526 -0.148 1
1 665 . 15 1 1 A 56 56 VAL C C 56 177.576 178.126 -0.550 1
1 666 . 15 1 1 A 56 56 VAL CA C 56 67.460 66.832 0.628 1
1 667 . 15 1 1 A 56 56 VAL CB C 56 31.560 31.494 0.066 1
1 670 . 15 1 1 A 56 56 VAL N N 56 117.548 119.388 -1.840 1
1 671 . 15 1 1 A 57 57 LYS H H 57 8.003 7.446 0.557 1
1 672 . 15 1 1 A 57 57 LYS HA H 57 4.200 3.841 0.359 1
1 681 . 15 1 1 A 57 57 LYS C C 57 179.196 179.993 -0.797 1
1 682 . 15 1 1 A 57 57 LYS CA C 57 60.130 60.540 -0.410 1
1 683 . 15 1 1 A 57 57 LYS CB C 57 32.383 32.400 -0.017 1
1 687 . 15 1 1 A 57 57 LYS N N 57 122.289 119.012 3.277 1
1 688 . 15 1 1 A 58 58 GLU H H 58 8.035 7.767 0.268 1
1 689 . 15 1 1 A 58 58 GLU HA H 58 4.010 3.996 0.014 1
1 694 . 15 1 1 A 58 58 GLU CA C 58 59.975 59.088 0.887 1
1 695 . 15 1 1 A 58 58 GLU CB C 58 29.430 28.951 0.479 1
1 697 . 15 1 1 A 58 58 GLU N N 58 119.482 119.799 -0.317 1
1 698 . 15 1 1 A 59 59 LEU H H 59 8.560 8.123 0.437 1
1 699 . 15 1 1 A 59 59 LEU HA H 59 3.998 3.855 0.143 1
1 709 . 15 1 1 A 59 59 LEU C C 59 178.239 179.176 -0.937 1
1 710 . 15 1 1 A 59 59 LEU CA C 59 58.200 57.761 0.439 1
1 711 . 15 1 1 A 59 59 LEU CB C 59 42.695 41.696 0.999 1
1 715 . 15 1 1 A 59 59 LEU N N 59 121.725 120.706 1.019 1
1 716 . 15 1 1 A 60 60 ASN H H 60 8.684 8.524 0.160 1
1 717 . 15 1 1 A 60 60 ASN HA H 60 4.806 4.652 0.154 1
1 722 . 15 1 1 A 60 60 ASN C C 60 178.495 178.358 0.137 1
1 723 . 15 1 1 A 60 60 ASN CA C 60 57.895 56.716 1.179 1
1 724 . 15 1 1 A 60 60 ASN CB C 60 38.528 38.049 0.479 1
1 725 . 15 1 1 A 60 60 ASN N N 60 117.410 117.560 -0.150 1
1 727 . 15 1 1 A 61 61 GLU H H 61 8.602 8.445 0.157 1
1 728 . 15 1 1 A 61 61 GLU HA H 61 4.040 4.185 -0.145 1
1 733 . 15 1 1 A 61 61 GLU C C 61 178.325 178.804 -0.479 1
1 734 . 15 1 1 A 61 61 GLU CA C 61 59.814 59.143 0.671 1
1 735 . 15 1 1 A 61 61 GLU CB C 61 29.610 29.365 0.245 1
1 737 . 15 1 1 A 61 61 GLU N N 61 121.480 119.404 2.076 1
1 738 . 15 1 1 A 62 62 TYR H H 62 7.698 7.967 -0.269 1
1 739 . 15 1 1 A 62 62 TYR HA H 62 3.978 4.139 -0.161 1
1 746 . 15 1 1 A 62 62 TYR C C 62 177.947 177.427 0.520 1
1 747 . 15 1 1 A 62 62 TYR CA C 62 61.600 61.461 0.139 1
1 748 . 15 1 1 A 62 62 TYR CB C 62 37.513 38.130 -0.617 1
1 753 . 15 1 1 A 62 62 TYR N N 62 120.683 122.172 -1.489 1
1 754 . 15 1 1 A 63 63 PHE H H 63 7.982 7.826 0.156 1
1 755 . 15 1 1 A 63 63 PHE HA H 63 3.932 4.104 -0.172 1
1 763 . 15 1 1 A 63 63 PHE CA C 63 63.262 62.006 1.256 1
1 764 . 15 1 1 A 63 63 PHE CB C 63 39.120 38.219 0.901 1
1 770 . 15 1 1 A 63 63 PHE N N 63 117.730 118.624 -0.894 1
1 771 . 15 1 1 A 64 64 GLU H H 64 8.554 7.963 0.591 1
1 772 . 15 1 1 A 64 64 GLU HA H 64 4.095 3.823 0.272 1
1 777 . 15 1 1 A 64 64 GLU C C 64 178.921 179.342 -0.421 1
1 778 . 15 1 1 A 64 64 GLU CA C 64 59.322 59.999 -0.677 1
1 779 . 15 1 1 A 64 64 GLU CB C 64 29.670 29.245 0.425 1
1 781 . 15 1 1 A 64 64 GLU N N 64 121.392 120.326 1.066 1
1 782 . 15 1 1 A 65 65 LYS H H 65 7.850 7.535 0.315 1
1 783 . 15 1 1 A 65 65 LYS HA H 65 3.982 3.988 -0.006 1
1 792 . 15 1 1 A 65 65 LYS C C 65 178.374 179.060 -0.686 1
1 793 . 15 1 1 A 65 65 LYS CA C 65 58.638 59.598 -0.960 1
1 794 . 15 1 1 A 65 65 LYS CB C 65 32.110 32.078 0.032 1
1 798 . 15 1 1 A 65 65 LYS N N 65 118.746 119.611 -0.865 1
1 799 . 15 1 1 A 66 66 LYS H H 66 7.503 7.587 -0.084 1
1 800 . 15 1 1 A 66 66 LYS HA H 66 3.880 3.821 0.059 1
1 809 . 15 1 1 A 66 66 LYS C C 66 177.925 179.718 -1.793 1
1 810 . 15 1 1 A 66 66 LYS CA C 66 58.590 59.860 -1.270 1
1 811 . 15 1 1 A 66 66 LYS CB C 66 32.560 31.966 0.594 1
1 815 . 15 1 1 A 66 66 LYS N N 66 119.241 119.755 -0.514 1
1 816 . 15 1 1 A 67 67 GLU H H 67 7.876 7.712 0.164 1
1 817 . 15 1 1 A 67 67 GLU HA H 67 4.097 4.061 0.036 1
1 822 . 15 1 1 A 67 67 GLU C C 67 178.016 179.026 -1.010 1
1 823 . 15 1 1 A 67 67 GLU CA C 67 58.280 58.918 -0.638 1
1 824 . 15 1 1 A 67 67 GLU CB C 67 29.802 29.361 0.441 1
1 826 . 15 1 1 A 67 67 GLU N N 67 119.096 120.044 -0.948 1
1 827 . 15 1 1 A 68 68 VAL H H 68 7.719 7.318 0.401 1
1 828 . 15 1 1 A 68 68 VAL HA H 68 3.797 3.579 0.218 1
1 836 . 15 1 1 A 68 68 VAL C C 68 177.668 177.738 -0.070 1
1 837 . 15 1 1 A 68 68 VAL CA C 68 64.600 66.064 -1.464 1
1 838 . 15 1 1 A 68 68 VAL CB C 68 32.050 31.708 0.342 1
1 841 . 15 1 1 A 68 68 VAL N N 68 119.409 121.119 -1.710 1
1 842 . 15 1 1 A 69 69 LEU H H 69 7.911 8.343 -0.432 1
1 843 . 15 1 1 A 69 69 LEU HA H 69 4.127 3.788 0.339 1
1 853 . 15 1 1 A 69 69 LEU C C 69 178.438 178.879 -0.441 1
1 854 . 15 1 1 A 69 69 LEU CA C 69 56.461 58.261 -1.800 1
1 855 . 15 1 1 A 69 69 LEU CB C 69 42.153 41.575 0.578 1
1 859 . 15 1 1 A 69 69 LEU N N 69 122.199 118.768 3.431 1
1 14 . 16 1 1 A 2 2 LYS H H 2 8.383 8.851 -0.468 1
1 15 . 16 1 1 A 2 2 LYS HA H 2 4.314 4.792 -0.478 1
1 24 . 16 1 1 A 2 2 LYS C C 2 175.001 175.843 -0.842 1
1 25 . 16 1 1 A 2 2 LYS CA C 2 56.188 54.773 1.415 1
1 26 . 16 1 1 A 2 2 LYS CB C 2 33.481 34.117 -0.636 1
1 30 . 16 1 1 A 2 2 LYS N N 2 124.593 125.384 -0.791 1
1 31 . 16 1 1 A 3 3 ILE H H 3 9.639 8.581 1.058 1
1 32 . 16 1 1 A 3 3 ILE HA H 3 4.510 4.247 0.263 1
1 42 . 16 1 1 A 3 3 ILE C C 3 176.337 175.693 0.644 1
1 43 . 16 1 1 A 3 3 ILE CA C 3 58.009 62.189 -4.180 1
1 44 . 16 1 1 A 3 3 ILE CB C 3 36.405 37.773 -1.368 1
1 48 . 16 1 1 A 3 3 ILE N N 3 124.160 127.375 -3.215 1
1 49 . 16 1 1 A 4 4 THR H H 4 7.637 8.288 -0.651 1
1 50 . 16 1 1 A 4 4 THR HA H 4 4.795 4.939 -0.144 1
1 55 . 16 1 1 A 4 4 THR C C 4 175.818 175.430 0.388 1
1 56 . 16 1 1 A 4 4 THR CA C 4 59.550 59.091 0.459 1
1 57 . 16 1 1 A 4 4 THR CB C 4 71.365 71.876 -0.511 1
1 59 . 16 1 1 A 4 4 THR N N 4 115.631 117.298 -1.667 1
1 60 . 16 1 1 A 5 5 LYS H H 5 9.100 8.927 0.173 1
1 61 . 16 1 1 A 5 5 LYS HA H 5 3.910 4.083 -0.173 1
1 70 . 16 1 1 A 5 5 LYS C C 5 173.504 178.344 -4.840 1
1 71 . 16 1 1 A 5 5 LYS CA C 5 58.730 58.663 0.067 1
1 72 . 16 1 1 A 5 5 LYS CB C 5 32.584 32.105 0.479 1
1 76 . 16 1 1 A 5 5 LYS N N 5 117.257 119.434 -2.177 1
1 77 . 16 1 1 A 6 6 ASP H H 6 8.542 7.712 0.830 1
1 78 . 16 1 1 A 6 6 ASP HA H 6 4.577 4.497 0.080 1
1 81 . 16 1 1 A 6 6 ASP C C 6 176.227 176.532 -0.305 1
1 82 . 16 1 1 A 6 6 ASP CA C 6 53.772 56.523 -2.751 1
1 83 . 16 1 1 A 6 6 ASP CB C 6 40.478 40.588 -0.110 1
1 84 . 16 1 1 A 6 6 ASP N N 6 115.528 119.962 -4.434 1
1 85 . 16 1 1 A 7 7 MET H H 7 7.545 7.733 -0.188 1
1 86 . 16 1 1 A 7 7 MET HA H 7 4.037 4.604 -0.567 1
1 94 . 16 1 1 A 7 7 MET C C 7 174.214 175.805 -1.591 1
1 95 . 16 1 1 A 7 7 MET CA C 7 57.578 55.387 2.191 1
1 96 . 16 1 1 A 7 7 MET CB C 7 33.295 33.677 -0.382 1
1 99 . 16 1 1 A 7 7 MET N N 7 119.925 118.615 1.310 1
1 100 . 16 1 1 A 8 8 ILE H H 8 8.721 8.664 0.057 1
1 101 . 16 1 1 A 8 8 ILE HA H 8 4.110 4.179 -0.069 1
1 111 . 16 1 1 A 8 8 ILE C C 8 178.731 176.450 2.281 1
1 112 . 16 1 1 A 8 8 ILE CA C 8 59.060 61.373 -2.313 1
1 113 . 16 1 1 A 8 8 ILE CB C 8 36.472 38.148 -1.676 1
1 117 . 16 1 1 A 8 8 ILE N N 8 121.085 122.458 -1.373 1
1 118 . 16 1 1 A 9 9 ILE H H 9 8.522 8.291 0.231 1
1 119 . 16 1 1 A 9 9 ILE HA H 9 3.238 3.689 -0.451 1
1 129 . 16 1 1 A 9 9 ILE C C 9 178.227 177.501 0.726 1
1 130 . 16 1 1 A 9 9 ILE CA C 9 67.720 65.254 2.466 1
1 131 . 16 1 1 A 9 9 ILE CB C 9 37.078 37.340 -0.262 1
1 135 . 16 1 1 A 9 9 ILE N N 9 128.907 124.785 4.122 1
1 136 . 16 1 1 A 10 10 ALA H H 10 8.578 8.314 0.264 1
1 137 . 16 1 1 A 10 10 ALA HA H 10 3.837 3.931 -0.094 1
1 141 . 16 1 1 A 10 10 ALA C C 10 179.790 179.576 0.214 1
1 142 . 16 1 1 A 10 10 ALA CA C 10 55.447 55.035 0.412 1
1 143 . 16 1 1 A 10 10 ALA CB C 10 19.000 18.118 0.882 1
1 144 . 16 1 1 A 10 10 ALA N N 10 118.416 121.351 -2.935 1
1 145 . 16 1 1 A 11 11 ASP H H 11 7.100 8.007 -0.907 1
1 146 . 16 1 1 A 11 11 ASP HA H 11 4.380 4.399 -0.019 1
1 149 . 16 1 1 A 11 11 ASP C C 11 178.903 178.637 0.266 1
1 150 . 16 1 1 A 11 11 ASP CA C 11 56.979 57.032 -0.053 1
1 151 . 16 1 1 A 11 11 ASP CB C 11 39.520 41.035 -1.515 1
1 152 . 16 1 1 A 11 11 ASP N N 11 116.224 118.729 -2.505 1
1 153 . 16 1 1 A 12 12 VAL H H 12 7.723 8.172 -0.449 1
1 154 . 16 1 1 A 12 12 VAL HA H 12 3.862 3.751 0.111 1
1 162 . 16 1 1 A 12 12 VAL C C 12 177.664 178.356 -0.692 1
1 163 . 16 1 1 A 12 12 VAL CA C 12 66.656 66.604 0.052 1
1 164 . 16 1 1 A 12 12 VAL CB C 12 31.980 31.731 0.249 1
1 167 . 16 1 1 A 12 12 VAL N N 12 123.054 120.186 2.868 1
1 168 . 16 1 1 A 13 13 LEU H H 13 7.995 8.159 -0.164 1
1 169 . 16 1 1 A 13 13 LEU HA H 13 3.945 4.207 -0.262 1
1 179 . 16 1 1 A 13 13 LEU C C 13 175.458 179.629 -4.171 1
1 180 . 16 1 1 A 13 13 LEU CA C 13 57.259 58.123 -0.864 1
1 181 . 16 1 1 A 13 13 LEU CB C 13 42.140 40.761 1.379 1
1 185 . 16 1 1 A 13 13 LEU N N 13 118.291 120.242 -1.951 1
1 186 . 16 1 1 A 14 14 GLN H H 14 7.580 7.907 -0.327 1
1 187 . 16 1 1 A 14 14 GLN HA H 14 3.988 4.109 -0.121 1
1 194 . 16 1 1 A 14 14 GLN C C 14 178.311 179.123 -0.812 1
1 195 . 16 1 1 A 14 14 GLN CA C 14 57.659 59.053 -1.394 1
1 196 . 16 1 1 A 14 14 GLN CB C 14 28.700 28.237 0.463 1
1 198 . 16 1 1 A 14 14 GLN N N 14 114.621 118.220 -3.599 1
1 200 . 16 1 1 A 15 15 MET H H 15 7.675 7.757 -0.082 1
1 201 . 16 1 1 A 15 15 MET HA H 15 4.069 4.413 -0.344 1
1 209 . 16 1 1 A 15 15 MET C C 15 177.780 176.451 1.329 1
1 210 . 16 1 1 A 15 15 MET CA C 15 59.420 58.631 0.789 1
1 211 . 16 1 1 A 15 15 MET CB C 15 33.423 33.644 -0.221 1
1 214 . 16 1 1 A 15 15 MET N N 15 119.587 118.021 1.566 1
1 215 . 16 1 1 A 16 16 ASP H H 16 7.520 8.106 -0.586 1
1 216 . 16 1 1 A 16 16 ASP HA H 16 4.613 4.989 -0.376 1
1 219 . 16 1 1 A 16 16 ASP C C 16 175.706 175.677 0.029 1
1 220 . 16 1 1 A 16 16 ASP CA C 16 55.090 54.161 0.929 1
1 221 . 16 1 1 A 16 16 ASP CB C 16 43.460 43.882 -0.422 1
1 222 . 16 1 1 A 16 16 ASP N N 16 113.838 116.242 -2.404 1
1 223 . 16 1 1 A 17 17 ARG H H 17 9.352 8.935 0.417 1
1 224 . 16 1 1 A 17 17 ARG HA H 17 4.253 4.164 0.089 1
1 231 . 16 1 1 A 17 17 ARG C C 17 178.889 177.923 0.966 1
1 232 . 16 1 1 A 17 17 ARG CA C 17 58.566 58.598 -0.032 1
1 233 . 16 1 1 A 17 17 ARG CB C 17 29.280 29.978 -0.698 1
1 236 . 16 1 1 A 17 17 ARG N N 17 131.098 124.927 6.171 1
1 237 . 16 1 1 A 18 18 GLY H H 18 9.534 8.280 1.254 1
1 238 . 16 1 1 A 18 18 GLY HA2 H 18 3.857 3.918 -0.061 1
1 239 . 16 1 1 A 18 18 GLY HA3 H 18 3.946 3.978 -0.032 1
1 240 . 16 1 1 A 18 18 GLY C C 18 173.747 175.524 -1.777 1
1 241 . 16 1 1 A 18 18 GLY CA C 18 45.820 45.971 -0.151 1
1 242 . 16 1 1 A 18 18 GLY N N 18 111.218 108.331 2.887 1
1 243 . 16 1 1 A 19 19 THR H H 19 7.486 7.667 -0.181 1
1 244 . 16 1 1 A 19 19 THR HA H 19 3.293 3.596 -0.303 1
1 249 . 16 1 1 A 19 19 THR C C 19 177.067 176.767 0.300 1
1 250 . 16 1 1 A 19 19 THR CA C 19 63.090 64.107 -1.017 1
1 251 . 16 1 1 A 19 19 THR CB C 19 69.960 68.159 1.801 1
1 253 . 16 1 1 A 19 19 THR N N 19 106.889 112.039 -5.150 1
1 254 . 16 1 1 A 20 20 ALA H H 20 7.648 8.054 -0.406 1
1 255 . 16 1 1 A 20 20 ALA HA H 20 4.246 4.335 -0.089 1
1 259 . 16 1 1 A 20 20 ALA CA C 20 57.780 57.149 0.631 1
1 260 . 16 1 1 A 20 20 ALA CB C 20 15.960 16.893 -0.933 1
1 261 . 16 1 1 A 20 20 ALA N N 20 125.258 125.132 0.126 1
1 262 . 16 1 1 A 21 21 PRO HA H 21 4.169 4.239 -0.070 1
1 269 . 16 1 1 A 21 21 PRO C C 21 177.812 179.380 -1.568 1
1 270 . 16 1 1 A 21 21 PRO CA C 21 65.630 66.037 -0.407 1
1 271 . 16 1 1 A 21 21 PRO CB C 21 31.220 30.727 0.493 1
1 274 . 16 1 1 A 22 22 ILE H H 22 7.120 7.419 -0.299 1
1 275 . 16 1 1 A 22 22 ILE HA H 22 3.622 3.726 -0.104 1
1 285 . 16 1 1 A 22 22 ILE C C 22 179.561 177.930 1.631 1
1 286 . 16 1 1 A 22 22 ILE CA C 22 64.640 63.952 0.688 1
1 287 . 16 1 1 A 22 22 ILE CB C 22 37.200 37.358 -0.158 1
1 291 . 16 1 1 A 22 22 ILE N N 22 117.089 116.331 0.758 1
1 292 . 16 1 1 A 23 23 PHE H H 23 7.411 7.680 -0.269 1
1 293 . 16 1 1 A 23 23 PHE HA H 23 3.919 4.289 -0.370 1
1 301 . 16 1 1 A 23 23 PHE C C 23 178.486 178.257 0.229 1
1 302 . 16 1 1 A 23 23 PHE CA C 23 63.450 60.890 2.560 1
1 303 . 16 1 1 A 23 23 PHE CB C 23 38.740 38.828 -0.088 1
1 309 . 16 1 1 A 23 23 PHE N N 23 118.753 118.673 0.080 1
1 310 . 16 1 1 A 24 24 ILE H H 24 8.077 8.470 -0.393 1
1 311 . 16 1 1 A 24 24 ILE HA H 24 3.503 3.656 -0.153 1
1 321 . 16 1 1 A 24 24 ILE C C 24 180.431 178.014 2.417 1
1 322 . 16 1 1 A 24 24 ILE CA C 24 64.997 65.916 -0.919 1
1 323 . 16 1 1 A 24 24 ILE CB C 24 38.110 37.903 0.207 1
1 327 . 16 1 1 A 24 24 ILE N N 24 120.410 119.902 0.508 1
1 328 . 16 1 1 A 25 25 ASN H H 25 8.971 8.594 0.377 1
1 329 . 16 1 1 A 25 25 ASN HA H 25 4.453 4.466 -0.013 1
1 334 . 16 1 1 A 25 25 ASN C C 25 176.784 177.035 -0.251 1
1 335 . 16 1 1 A 25 25 ASN CA C 25 55.321 56.682 -1.361 1
1 336 . 16 1 1 A 25 25 ASN CB C 25 37.880 39.759 -1.879 1
1 337 . 16 1 1 A 25 25 ASN N N 25 120.191 119.963 0.228 1
1 339 . 16 1 1 A 26 26 ASN H H 26 7.315 7.788 -0.473 1
1 340 . 16 1 1 A 26 26 ASN HA H 26 4.601 4.781 -0.180 1
1 345 . 16 1 1 A 26 26 ASN C C 26 173.732 175.570 -1.838 1
1 346 . 16 1 1 A 26 26 ASN CA C 26 54.840 53.206 1.634 1
1 347 . 16 1 1 A 26 26 ASN CB C 26 40.890 39.030 1.860 1
1 348 . 16 1 1 A 26 26 ASN N N 26 116.500 115.115 1.385 1
1 350 . 16 1 1 A 27 27 GLY H H 27 7.880 8.035 -0.155 1
1 351 . 16 1 1 A 27 27 GLY HA2 H 27 4.305 3.855 0.450 1
1 352 . 16 1 1 A 27 27 GLY HA3 H 27 3.570 3.880 -0.310 1
1 353 . 16 1 1 A 27 27 GLY CA C 27 45.308 44.897 0.411 1
1 354 . 16 1 1 A 27 27 GLY N N 27 104.918 107.301 -2.383 1
1 355 . 16 1 1 A 28 28 MET H H 28 7.948 7.781 0.167 1
1 356 . 16 1 1 A 28 28 MET HA H 28 4.190 4.467 -0.277 1
1 364 . 16 1 1 A 28 28 MET C C 28 174.147 175.063 -0.916 1
1 365 . 16 1 1 A 28 28 MET CA C 28 54.335 55.776 -1.441 1
1 366 . 16 1 1 A 28 28 MET CB C 28 31.978 34.143 -2.165 1
1 369 . 16 1 1 A 28 28 MET N N 28 120.940 120.567 0.373 1
1 370 . 16 1 1 A 29 29 HIS H H 29 7.994 9.031 -1.037 1
1 371 . 16 1 1 A 29 29 HIS HA H 29 4.592 5.541 -0.949 1
1 375 . 16 1 1 A 29 29 HIS C C 29 177.664 172.868 4.796 1
1 376 . 16 1 1 A 29 29 HIS CA C 29 56.178 53.581 2.597 1
1 377 . 16 1 1 A 29 29 HIS CB C 29 30.190 33.045 -2.855 1
1 378 . 16 1 1 A 29 29 HIS N N 29 121.779 115.605 6.174 1
1 379 . 16 1 1 A 30 30 CYS H H 30 7.867 8.600 -0.733 1
1 380 . 16 1 1 A 30 30 CYS HA H 30 4.555 4.332 0.223 1
1 383 . 16 1 1 A 30 30 CYS C C 30 174.265 173.563 0.702 1
1 384 . 16 1 1 A 30 30 CYS CA C 30 57.398 58.400 -1.002 1
1 385 . 16 1 1 A 30 30 CYS CB C 30 28.234 25.936 2.298 1
1 386 . 16 1 1 A 30 30 CYS N N 30 116.200 121.235 -5.035 1
1 387 . 16 1 1 A 31 31 LEU H H 31 7.845 8.382 -0.537 1
1 388 . 16 1 1 A 31 31 LEU HA H 31 4.045 5.168 -1.123 1
1 398 . 16 1 1 A 31 31 LEU C C 31 177.285 175.496 1.789 1
1 399 . 16 1 1 A 31 31 LEU CA C 31 56.415 53.490 2.925 1
1 400 . 16 1 1 A 31 31 LEU CB C 31 41.172 45.315 -4.143 1
1 404 . 16 1 1 A 31 31 LEU N N 31 122.518 126.635 -4.117 1
1 405 . 16 1 1 A 32 32 GLY H H 32 8.292 8.999 -0.707 1
1 406 . 16 1 1 A 32 32 GLY HA2 H 32 3.852 3.769 0.083 1
1 407 . 16 1 1 A 32 32 GLY HA3 H 32 3.852 3.791 0.061 1
1 408 . 16 1 1 A 32 32 GLY C C 32 173.868 173.699 0.169 1
1 409 . 16 1 1 A 32 32 GLY CA C 32 45.182 47.478 -2.296 1
1 410 . 16 1 1 A 32 32 GLY N N 32 108.193 113.166 -4.973 1
1 411 . 16 1 1 A 33 33 CYS H H 33 7.747 7.668 0.079 1
1 412 . 16 1 1 A 33 33 CYS HA H 33 4.826 4.863 -0.037 1
1 415 . 16 1 1 A 33 33 CYS CA C 33 56.005 56.072 -0.067 1
1 416 . 16 1 1 A 33 33 CYS CB C 33 27.330 30.370 -3.040 1
1 417 . 16 1 1 A 33 33 CYS N N 33 120.574 119.646 0.928 1
1 418 . 16 1 1 A 34 34 PRO HA H 34 4.179 4.265 -0.086 1
1 425 . 16 1 1 A 34 34 PRO C C 34 178.582 178.031 0.551 1
1 426 . 16 1 1 A 34 34 PRO CA C 34 65.610 65.236 0.374 1
1 427 . 16 1 1 A 34 34 PRO CB C 34 32.071 31.833 0.238 1
1 430 . 16 1 1 A 35 35 SER H H 35 8.315 8.427 -0.112 1
1 431 . 16 1 1 A 35 35 SER HA H 35 4.209 4.251 -0.042 1
1 434 . 16 1 1 A 35 35 SER C C 35 177.910 175.671 2.239 1
1 435 . 16 1 1 A 35 35 SER CA C 35 60.704 60.894 -0.190 1
1 436 . 16 1 1 A 35 35 SER CB C 35 62.590 63.079 -0.489 1
1 437 . 16 1 1 A 35 35 SER N N 35 112.899 112.173 0.726 1
1 438 . 16 1 1 A 36 36 SER H H 36 7.903 8.063 -0.160 1
1 439 . 16 1 1 A 36 36 SER HA H 36 4.432 4.564 -0.132 1
1 442 . 16 1 1 A 36 36 SER C C 36 175.084 174.758 0.326 1
1 443 . 16 1 1 A 36 36 SER CA C 36 60.336 58.865 1.471 1
1 444 . 16 1 1 A 36 36 SER CB C 36 63.920 64.238 -0.318 1
1 445 . 16 1 1 A 36 36 SER N N 36 117.747 114.577 3.170 1
1 446 . 16 1 1 A 37 37 MET H H 37 7.646 7.980 -0.334 1
1 447 . 16 1 1 A 37 37 MET HA H 37 4.114 4.494 -0.380 1
1 455 . 16 1 1 A 37 37 MET C C 37 175.617 177.978 -2.361 1
1 456 . 16 1 1 A 37 37 MET CA C 37 56.922 56.184 0.738 1
1 457 . 16 1 1 A 37 37 MET CB C 37 32.891 34.045 -1.154 1
1 460 . 16 1 1 A 37 37 MET N N 37 117.790 118.354 -0.564 1
1 461 . 16 1 1 A 38 38 GLY H H 38 7.742 8.004 -0.262 1
1 462 . 16 1 1 A 38 38 GLY HA2 H 38 4.156 3.834 0.322 1
1 463 . 16 1 1 A 38 38 GLY HA3 H 38 3.623 3.840 -0.217 1
1 464 . 16 1 1 A 38 38 GLY C C 38 174.147 174.444 -0.297 1
1 465 . 16 1 1 A 38 38 GLY CA C 38 45.260 46.094 -0.834 1
1 466 . 16 1 1 A 38 38 GLY N N 38 104.897 107.340 -2.443 1
1 467 . 16 1 1 A 39 39 GLU H H 39 7.288 7.733 -0.445 1
1 468 . 16 1 1 A 39 39 GLU HA H 39 4.539 4.622 -0.083 1
1 473 . 16 1 1 A 39 39 GLU C C 39 173.845 175.923 -2.078 1
1 474 . 16 1 1 A 39 39 GLU CA C 39 54.885 55.643 -0.758 1
1 475 . 16 1 1 A 39 39 GLU CB C 39 31.980 31.047 0.933 1
1 477 . 16 1 1 A 39 39 GLU N N 39 119.469 120.608 -1.139 1
1 478 . 16 1 1 A 40 40 SER H H 40 9.174 8.756 0.418 1
1 479 . 16 1 1 A 40 40 SER HA H 40 4.847 4.988 -0.141 1
1 482 . 16 1 1 A 40 40 SER C C 40 175.082 176.156 -1.074 1
1 483 . 16 1 1 A 40 40 SER CA C 40 56.757 57.286 -0.529 1
1 484 . 16 1 1 A 40 40 SER CB C 40 65.397 65.530 -0.133 1
1 485 . 16 1 1 A 40 40 SER N N 40 115.819 114.034 1.785 1
1 486 . 16 1 1 A 41 41 ILE H H 41 8.739 9.097 -0.358 1
1 487 . 16 1 1 A 41 41 ILE HA H 41 3.512 3.772 -0.260 1
1 497 . 16 1 1 A 41 41 ILE C C 41 178.832 177.743 1.089 1
1 498 . 16 1 1 A 41 41 ILE CA C 41 67.190 65.623 1.567 1
1 499 . 16 1 1 A 41 41 ILE CB C 41 38.460 37.922 0.538 1
1 503 . 16 1 1 A 41 41 ILE N N 41 121.236 122.396 -1.160 1
1 504 . 16 1 1 A 42 42 GLU H H 42 8.932 8.351 0.581 1
1 505 . 16 1 1 A 42 42 GLU HA H 42 3.826 4.065 -0.239 1
1 510 . 16 1 1 A 42 42 GLU C C 42 178.134 178.718 -0.584 1
1 511 . 16 1 1 A 42 42 GLU CA C 42 59.860 59.288 0.572 1
1 512 . 16 1 1 A 42 42 GLU CB C 42 29.286 29.342 -0.056 1
1 514 . 16 1 1 A 42 42 GLU N N 42 117.512 120.107 -2.595 1
1 515 . 16 1 1 A 43 43 ASP H H 43 8.090 8.052 0.038 1
1 516 . 16 1 1 A 43 43 ASP HA H 43 4.428 4.439 -0.011 1
1 519 . 16 1 1 A 43 43 ASP C C 43 179.021 178.758 0.263 1
1 520 . 16 1 1 A 43 43 ASP CA C 43 57.460 57.083 0.377 1
1 521 . 16 1 1 A 43 43 ASP CB C 43 39.485 40.871 -1.386 1
1 522 . 16 1 1 A 43 43 ASP N N 43 122.750 120.578 2.172 1
1 523 . 16 1 1 A 44 44 ALA H H 44 8.807 8.160 0.647 1
1 524 . 16 1 1 A 44 44 ALA HA H 44 4.242 4.084 0.158 1
1 528 . 16 1 1 A 44 44 ALA C C 44 181.423 179.940 1.483 1
1 529 . 16 1 1 A 44 44 ALA CA C 44 55.260 55.223 0.037 1
1 530 . 16 1 1 A 44 44 ALA CB C 44 19.775 17.999 1.776 1
1 531 . 16 1 1 A 44 44 ALA N N 44 123.434 122.017 1.417 1
1 532 . 16 1 1 A 45 45 CYS H H 45 8.663 8.298 0.365 1
1 533 . 16 1 1 A 45 45 CYS HA H 45 4.039 4.173 -0.134 1
1 536 . 16 1 1 A 45 45 CYS C C 45 176.954 177.240 -0.286 1
1 537 . 16 1 1 A 45 45 CYS CA C 45 65.300 62.713 2.587 1
1 538 . 16 1 1 A 45 45 CYS CB C 45 26.940 26.235 0.705 1
1 539 . 16 1 1 A 45 45 CYS N N 45 115.424 116.375 -0.951 1
1 540 . 16 1 1 A 46 46 ALA H H 46 7.844 7.997 -0.153 1
1 541 . 16 1 1 A 46 46 ALA HA H 46 4.274 4.073 0.201 1
1 545 . 16 1 1 A 46 46 ALA C C 46 180.730 180.511 0.219 1
1 546 . 16 1 1 A 46 46 ALA CA C 46 55.127 55.167 -0.040 1
1 547 . 16 1 1 A 46 46 ALA CB C 46 18.020 18.216 -0.196 1
1 548 . 16 1 1 A 46 46 ALA N N 46 122.366 122.629 -0.263 1
1 549 . 16 1 1 A 47 47 VAL H H 47 7.503 7.723 -0.220 1
1 550 . 16 1 1 A 47 47 VAL HA H 47 3.690 3.635 0.055 1
1 558 . 16 1 1 A 47 47 VAL C C 47 177.652 177.643 0.009 1
1 559 . 16 1 1 A 47 47 VAL CA C 47 65.530 66.544 -1.014 1
1 560 . 16 1 1 A 47 47 VAL CB C 47 32.140 31.751 0.389 1
1 563 . 16 1 1 A 47 47 VAL N N 47 116.850 119.034 -2.184 1
1 564 . 16 1 1 A 48 48 HIS H H 48 7.496 7.600 -0.104 1
1 565 . 16 1 1 A 48 48 HIS HA H 48 4.629 4.540 0.089 1
1 569 . 16 1 1 A 48 48 HIS C C 48 174.865 175.555 -0.690 1
1 570 . 16 1 1 A 48 48 HIS CA C 48 56.985 57.379 -0.394 1
1 571 . 16 1 1 A 48 48 HIS CB C 48 31.033 30.461 0.572 1
1 573 . 16 1 1 A 48 48 HIS N N 48 114.271 119.289 -5.018 1
1 574 . 16 1 1 A 49 49 GLY H H 49 7.846 8.016 -0.170 1
1 575 . 16 1 1 A 49 49 GLY HA2 H 49 4.002 3.847 0.155 1
1 576 . 16 1 1 A 49 49 GLY HA3 H 49 4.002 3.883 0.119 1
1 577 . 16 1 1 A 49 49 GLY C C 49 174.536 174.884 -0.348 1
1 578 . 16 1 1 A 49 49 GLY CA C 49 47.189 46.666 0.523 1
1 579 . 16 1 1 A 49 49 GLY N N 49 110.669 108.105 2.564 1
1 580 . 16 1 1 A 50 50 ILE H H 50 8.126 8.445 -0.319 1
1 581 . 16 1 1 A 50 50 ILE HA H 50 4.295 4.371 -0.076 1
1 591 . 16 1 1 A 50 50 ILE C C 50 175.038 175.197 -0.159 1
1 592 . 16 1 1 A 50 50 ILE CA C 50 59.759 60.437 -0.678 1
1 593 . 16 1 1 A 50 50 ILE CB C 50 41.222 39.085 2.137 1
1 597 . 16 1 1 A 50 50 ILE N N 50 119.905 120.637 -0.732 1
1 598 . 16 1 1 A 51 51 ASP H H 51 8.497 8.567 -0.070 1
1 599 . 16 1 1 A 51 51 ASP HA H 51 4.523 4.744 -0.221 1
1 602 . 16 1 1 A 51 51 ASP C C 51 175.978 176.897 -0.919 1
1 603 . 16 1 1 A 51 51 ASP CA C 51 54.100 53.171 0.929 1
1 604 . 16 1 1 A 51 51 ASP CB C 51 40.990 40.492 0.498 1
1 605 . 16 1 1 A 51 51 ASP N N 51 124.951 126.035 -1.084 1
1 606 . 16 1 1 A 52 52 ALA H H 52 8.791 8.941 -0.150 1
1 607 . 16 1 1 A 52 52 ALA HA H 52 4.329 4.038 0.291 1
1 611 . 16 1 1 A 52 52 ALA CA C 52 55.070 54.913 0.157 1
1 612 . 16 1 1 A 52 52 ALA CB C 52 19.480 18.411 1.069 1
1 613 . 16 1 1 A 52 52 ALA N N 52 131.766 129.115 2.651 1
1 614 . 16 1 1 A 53 53 ASP H H 53 8.082 8.096 -0.014 1
1 615 . 16 1 1 A 53 53 ASP HA H 53 4.321 4.332 -0.011 1
1 618 . 16 1 1 A 53 53 ASP CA C 53 57.500 57.964 -0.464 1
1 619 . 16 1 1 A 53 53 ASP CB C 53 39.940 42.009 -2.069 1
1 620 . 16 1 1 A 53 53 ASP N N 53 116.960 118.256 -1.296 1
1 621 . 16 1 1 A 54 54 LYS H H 54 7.762 7.950 -0.188 1
1 622 . 16 1 1 A 54 54 LYS HA H 54 3.958 4.099 -0.141 1
1 631 . 16 1 1 A 54 54 LYS C C 54 177.748 178.859 -1.111 1
1 632 . 16 1 1 A 54 54 LYS CA C 54 59.355 59.311 0.044 1
1 633 . 16 1 1 A 54 54 LYS CB C 54 32.920 32.247 0.673 1
1 637 . 16 1 1 A 54 54 LYS N N 54 123.420 118.050 5.370 1
1 638 . 16 1 1 A 55 55 LEU H H 55 7.337 7.922 -0.585 1
1 639 . 16 1 1 A 55 55 LEU HA H 55 3.822 3.941 -0.119 1
1 649 . 16 1 1 A 55 55 LEU C C 55 177.966 178.328 -0.362 1
1 650 . 16 1 1 A 55 55 LEU CA C 55 58.258 58.356 -0.098 1
1 651 . 16 1 1 A 55 55 LEU CB C 55 41.908 41.550 0.358 1
1 655 . 16 1 1 A 55 55 LEU N N 55 119.522 121.712 -2.190 1
1 656 . 16 1 1 A 56 56 VAL H H 56 8.503 8.199 0.304 1
1 657 . 16 1 1 A 56 56 VAL HA H 56 3.378 3.476 -0.098 1
1 665 . 16 1 1 A 56 56 VAL C C 56 177.576 177.710 -0.134 1
1 666 . 16 1 1 A 56 56 VAL CA C 56 67.460 66.735 0.725 1
1 667 . 16 1 1 A 56 56 VAL CB C 56 31.560 31.357 0.203 1
1 670 . 16 1 1 A 56 56 VAL N N 56 117.548 119.173 -1.625 1
1 671 . 16 1 1 A 57 57 LYS H H 57 8.003 7.654 0.349 1
1 672 . 16 1 1 A 57 57 LYS HA H 57 4.200 4.059 0.141 1
1 681 . 16 1 1 A 57 57 LYS C C 57 179.196 179.456 -0.260 1
1 682 . 16 1 1 A 57 57 LYS CA C 57 60.130 59.285 0.845 1
1 683 . 16 1 1 A 57 57 LYS CB C 57 32.383 31.912 0.471 1
1 687 . 16 1 1 A 57 57 LYS N N 57 122.289 118.720 3.569 1
1 688 . 16 1 1 A 58 58 GLU H H 58 8.035 8.111 -0.076 1
1 689 . 16 1 1 A 58 58 GLU HA H 58 4.010 4.213 -0.203 1
1 694 . 16 1 1 A 58 58 GLU CA C 58 59.975 59.006 0.969 1
1 695 . 16 1 1 A 58 58 GLU CB C 58 29.430 29.700 -0.270 1
1 697 . 16 1 1 A 58 58 GLU N N 58 119.482 120.437 -0.955 1
1 698 . 16 1 1 A 59 59 LEU H H 59 8.560 8.276 0.284 1
1 699 . 16 1 1 A 59 59 LEU HA H 59 3.998 3.875 0.123 1
1 709 . 16 1 1 A 59 59 LEU C C 59 178.239 179.377 -1.138 1
1 710 . 16 1 1 A 59 59 LEU CA C 59 58.200 57.961 0.239 1
1 711 . 16 1 1 A 59 59 LEU CB C 59 42.695 41.376 1.319 1
1 715 . 16 1 1 A 59 59 LEU N N 59 121.725 120.628 1.097 1
1 716 . 16 1 1 A 60 60 ASN H H 60 8.684 8.715 -0.031 1
1 717 . 16 1 1 A 60 60 ASN HA H 60 4.806 4.599 0.207 1
1 722 . 16 1 1 A 60 60 ASN C C 60 178.495 178.263 0.232 1
1 723 . 16 1 1 A 60 60 ASN CA C 60 57.895 56.647 1.248 1
1 724 . 16 1 1 A 60 60 ASN CB C 60 38.528 38.020 0.508 1
1 725 . 16 1 1 A 60 60 ASN N N 60 117.410 117.802 -0.392 1
1 727 . 16 1 1 A 61 61 GLU H H 61 8.602 8.307 0.295 1
1 728 . 16 1 1 A 61 61 GLU HA H 61 4.040 4.053 -0.013 1
1 733 . 16 1 1 A 61 61 GLU C C 61 178.325 178.771 -0.446 1
1 734 . 16 1 1 A 61 61 GLU CA C 61 59.814 59.501 0.313 1
1 735 . 16 1 1 A 61 61 GLU CB C 61 29.610 29.361 0.249 1
1 737 . 16 1 1 A 61 61 GLU N N 61 121.480 119.553 1.927 1
1 738 . 16 1 1 A 62 62 TYR H H 62 7.698 7.818 -0.120 1
1 739 . 16 1 1 A 62 62 TYR HA H 62 3.978 4.205 -0.227 1
1 746 . 16 1 1 A 62 62 TYR C C 62 177.947 177.489 0.458 1
1 747 . 16 1 1 A 62 62 TYR CA C 62 61.600 61.334 0.266 1
1 748 . 16 1 1 A 62 62 TYR CB C 62 37.513 38.131 -0.618 1
1 753 . 16 1 1 A 62 62 TYR N N 62 120.683 121.353 -0.670 1
1 754 . 16 1 1 A 63 63 PHE H H 63 7.982 8.004 -0.022 1
1 755 . 16 1 1 A 63 63 PHE HA H 63 3.932 4.048 -0.116 1
1 763 . 16 1 1 A 63 63 PHE CA C 63 63.262 62.403 0.859 1
1 764 . 16 1 1 A 63 63 PHE CB C 63 39.120 38.668 0.452 1
1 770 . 16 1 1 A 63 63 PHE N N 63 117.730 118.039 -0.309 1
1 771 . 16 1 1 A 64 64 GLU H H 64 8.554 8.434 0.120 1
1 772 . 16 1 1 A 64 64 GLU HA H 64 4.095 3.893 0.202 1
1 777 . 16 1 1 A 64 64 GLU C C 64 178.921 179.542 -0.621 1
1 778 . 16 1 1 A 64 64 GLU CA C 64 59.322 60.054 -0.732 1
1 779 . 16 1 1 A 64 64 GLU CB C 64 29.670 29.146 0.524 1
1 781 . 16 1 1 A 64 64 GLU N N 64 121.392 120.057 1.335 1
1 782 . 16 1 1 A 65 65 LYS H H 65 7.850 7.958 -0.108 1
1 783 . 16 1 1 A 65 65 LYS HA H 65 3.982 4.061 -0.079 1
1 792 . 16 1 1 A 65 65 LYS C C 65 178.374 179.189 -0.815 1
1 793 . 16 1 1 A 65 65 LYS CA C 65 58.638 59.284 -0.646 1
1 794 . 16 1 1 A 65 65 LYS CB C 65 32.110 32.079 0.031 1
1 798 . 16 1 1 A 65 65 LYS N N 65 118.746 120.075 -1.329 1
1 799 . 16 1 1 A 66 66 LYS H H 66 7.503 7.732 -0.229 1
1 800 . 16 1 1 A 66 66 LYS HA H 66 3.880 3.748 0.132 1
1 809 . 16 1 1 A 66 66 LYS C C 66 177.925 179.642 -1.717 1
1 810 . 16 1 1 A 66 66 LYS CA C 66 58.590 59.991 -1.401 1
1 811 . 16 1 1 A 66 66 LYS CB C 66 32.560 32.003 0.557 1
1 815 . 16 1 1 A 66 66 LYS N N 66 119.241 119.898 -0.657 1
1 816 . 16 1 1 A 67 67 GLU H H 67 7.876 7.953 -0.077 1
1 817 . 16 1 1 A 67 67 GLU HA H 67 4.097 4.079 0.018 1
1 822 . 16 1 1 A 67 67 GLU C C 67 178.016 177.575 0.441 1
1 823 . 16 1 1 A 67 67 GLU CA C 67 58.280 58.584 -0.304 1
1 824 . 16 1 1 A 67 67 GLU CB C 67 29.802 29.486 0.316 1
1 826 . 16 1 1 A 67 67 GLU N N 67 119.096 119.539 -0.443 1
1 827 . 16 1 1 A 68 68 VAL H H 68 7.719 7.511 0.208 1
1 828 . 16 1 1 A 68 68 VAL HA H 68 3.797 3.832 -0.035 1
1 836 . 16 1 1 A 68 68 VAL C C 68 177.668 178.047 -0.379 1
1 837 . 16 1 1 A 68 68 VAL CA C 68 64.600 64.956 -0.356 1
1 838 . 16 1 1 A 68 68 VAL CB C 68 32.050 31.960 0.090 1
1 841 . 16 1 1 A 68 68 VAL N N 68 119.409 119.225 0.184 1
1 842 . 16 1 1 A 69 69 LEU H H 69 7.911 8.212 -0.301 1
1 843 . 16 1 1 A 69 69 LEU HA H 69 4.127 3.812 0.315 1
1 853 . 16 1 1 A 69 69 LEU C C 69 178.438 179.030 -0.592 1
1 854 . 16 1 1 A 69 69 LEU CA C 69 56.461 58.258 -1.797 1
1 855 . 16 1 1 A 69 69 LEU CB C 69 42.153 41.635 0.518 1
1 859 . 16 1 1 A 69 69 LEU N N 69 122.199 119.800 2.399 1
1 14 . 17 1 1 A 2 2 LYS H H 2 8.383 8.305 0.078 1
1 15 . 17 1 1 A 2 2 LYS HA H 2 4.314 4.612 -0.298 1
1 24 . 17 1 1 A 2 2 LYS C C 2 175.001 175.318 -0.317 1
1 25 . 17 1 1 A 2 2 LYS CA C 2 56.188 56.278 -0.090 1
1 26 . 17 1 1 A 2 2 LYS CB C 2 33.481 32.722 0.759 1
1 30 . 17 1 1 A 2 2 LYS N N 2 124.593 122.501 2.092 1
1 31 . 17 1 1 A 3 3 ILE H H 3 9.639 8.519 1.120 1
1 32 . 17 1 1 A 3 3 ILE HA H 3 4.510 4.306 0.204 1
1 42 . 17 1 1 A 3 3 ILE C C 3 176.337 175.684 0.653 1
1 43 . 17 1 1 A 3 3 ILE CA C 3 58.009 62.021 -4.012 1
1 44 . 17 1 1 A 3 3 ILE CB C 3 36.405 37.921 -1.516 1
1 48 . 17 1 1 A 3 3 ILE N N 3 124.160 127.798 -3.638 1
1 49 . 17 1 1 A 4 4 THR H H 4 7.637 7.971 -0.334 1
1 50 . 17 1 1 A 4 4 THR HA H 4 4.795 4.968 -0.173 1
1 55 . 17 1 1 A 4 4 THR C C 4 175.818 175.572 0.246 1
1 56 . 17 1 1 A 4 4 THR CA C 4 59.550 59.043 0.507 1
1 57 . 17 1 1 A 4 4 THR CB C 4 71.365 71.859 -0.494 1
1 59 . 17 1 1 A 4 4 THR N N 4 115.631 116.815 -1.184 1
1 60 . 17 1 1 A 5 5 LYS H H 5 9.100 8.913 0.187 1
1 61 . 17 1 1 A 5 5 LYS HA H 5 3.910 4.095 -0.185 1
1 70 . 17 1 1 A 5 5 LYS C C 5 173.504 178.134 -4.630 1
1 71 . 17 1 1 A 5 5 LYS CA C 5 58.730 58.630 0.100 1
1 72 . 17 1 1 A 5 5 LYS CB C 5 32.584 32.102 0.482 1
1 76 . 17 1 1 A 5 5 LYS N N 5 117.257 119.678 -2.421 1
1 77 . 17 1 1 A 6 6 ASP H H 6 8.542 7.623 0.919 1
1 78 . 17 1 1 A 6 6 ASP HA H 6 4.577 4.626 -0.049 1
1 81 . 17 1 1 A 6 6 ASP C C 6 176.227 176.508 -0.281 1
1 82 . 17 1 1 A 6 6 ASP CA C 6 53.772 56.150 -2.378 1
1 83 . 17 1 1 A 6 6 ASP CB C 6 40.478 41.125 -0.647 1
1 84 . 17 1 1 A 6 6 ASP N N 6 115.528 119.696 -4.168 1
1 85 . 17 1 1 A 7 7 MET H H 7 7.545 7.751 -0.206 1
1 86 . 17 1 1 A 7 7 MET HA H 7 4.037 4.654 -0.617 1
1 94 . 17 1 1 A 7 7 MET C C 7 174.214 175.705 -1.491 1
1 95 . 17 1 1 A 7 7 MET CA C 7 57.578 54.888 2.690 1
1 96 . 17 1 1 A 7 7 MET CB C 7 33.295 34.143 -0.848 1
1 99 . 17 1 1 A 7 7 MET N N 7 119.925 118.747 1.178 1
1 100 . 17 1 1 A 8 8 ILE H H 8 8.721 8.734 -0.013 1
1 101 . 17 1 1 A 8 8 ILE HA H 8 4.110 4.179 -0.069 1
1 111 . 17 1 1 A 8 8 ILE C C 8 178.731 176.529 2.202 1
1 112 . 17 1 1 A 8 8 ILE CA C 8 59.060 61.254 -2.194 1
1 113 . 17 1 1 A 8 8 ILE CB C 8 36.472 38.133 -1.661 1
1 117 . 17 1 1 A 8 8 ILE N N 8 121.085 121.785 -0.700 1
1 118 . 17 1 1 A 9 9 ILE H H 9 8.522 8.314 0.208 1
1 119 . 17 1 1 A 9 9 ILE HA H 9 3.238 3.545 -0.307 1
1 129 . 17 1 1 A 9 9 ILE C C 9 178.227 177.274 0.953 1
1 130 . 17 1 1 A 9 9 ILE CA C 9 67.720 65.055 2.665 1
1 131 . 17 1 1 A 9 9 ILE CB C 9 37.078 37.503 -0.425 1
1 135 . 17 1 1 A 9 9 ILE N N 9 128.907 124.359 4.548 1
1 136 . 17 1 1 A 10 10 ALA H H 10 8.578 8.433 0.145 1
1 137 . 17 1 1 A 10 10 ALA HA H 10 3.837 3.960 -0.123 1
1 141 . 17 1 1 A 10 10 ALA C C 10 179.790 179.286 0.504 1
1 142 . 17 1 1 A 10 10 ALA CA C 10 55.447 55.432 0.015 1
1 143 . 17 1 1 A 10 10 ALA CB C 10 19.000 18.031 0.969 1
1 144 . 17 1 1 A 10 10 ALA N N 10 118.416 121.561 -3.145 1
1 145 . 17 1 1 A 11 11 ASP H H 11 7.100 8.133 -1.033 1
1 146 . 17 1 1 A 11 11 ASP HA H 11 4.380 4.361 0.019 1
1 149 . 17 1 1 A 11 11 ASP C C 11 178.903 178.703 0.200 1
1 150 . 17 1 1 A 11 11 ASP CA C 11 56.979 57.443 -0.464 1
1 151 . 17 1 1 A 11 11 ASP CB C 11 39.520 41.159 -1.639 1
1 152 . 17 1 1 A 11 11 ASP N N 11 116.224 118.581 -2.357 1
1 153 . 17 1 1 A 12 12 VAL H H 12 7.723 7.924 -0.201 1
1 154 . 17 1 1 A 12 12 VAL HA H 12 3.862 3.767 0.095 1
1 162 . 17 1 1 A 12 12 VAL C C 12 177.664 178.251 -0.587 1
1 163 . 17 1 1 A 12 12 VAL CA C 12 66.656 66.674 -0.018 1
1 164 . 17 1 1 A 12 12 VAL CB C 12 31.980 31.759 0.221 1
1 167 . 17 1 1 A 12 12 VAL N N 12 123.054 119.990 3.064 1
1 168 . 17 1 1 A 13 13 LEU H H 13 7.995 8.224 -0.229 1
1 169 . 17 1 1 A 13 13 LEU HA H 13 3.945 4.297 -0.352 1
1 179 . 17 1 1 A 13 13 LEU C C 13 175.458 179.248 -3.790 1
1 180 . 17 1 1 A 13 13 LEU CA C 13 57.259 58.042 -0.783 1
1 181 . 17 1 1 A 13 13 LEU CB C 13 42.140 40.995 1.145 1
1 185 . 17 1 1 A 13 13 LEU N N 13 118.291 120.190 -1.899 1
1 186 . 17 1 1 A 14 14 GLN H H 14 7.580 8.055 -0.475 1
1 187 . 17 1 1 A 14 14 GLN HA H 14 3.988 4.355 -0.367 1
1 194 . 17 1 1 A 14 14 GLN C C 14 178.311 178.261 0.050 1
1 195 . 17 1 1 A 14 14 GLN CA C 14 57.659 58.104 -0.445 1
1 196 . 17 1 1 A 14 14 GLN CB C 14 28.700 28.536 0.164 1
1 198 . 17 1 1 A 14 14 GLN N N 14 114.621 116.848 -2.227 1
1 200 . 17 1 1 A 15 15 MET H H 15 7.675 7.708 -0.033 1
1 201 . 17 1 1 A 15 15 MET HA H 15 4.069 4.532 -0.463 1
1 209 . 17 1 1 A 15 15 MET C C 15 177.780 176.422 1.358 1
1 210 . 17 1 1 A 15 15 MET CA C 15 59.420 58.249 1.171 1
1 211 . 17 1 1 A 15 15 MET CB C 15 33.423 34.116 -0.693 1
1 214 . 17 1 1 A 15 15 MET N N 15 119.587 116.872 2.715 1
1 215 . 17 1 1 A 16 16 ASP H H 16 7.520 8.136 -0.616 1
1 216 . 17 1 1 A 16 16 ASP HA H 16 4.613 5.025 -0.412 1
1 219 . 17 1 1 A 16 16 ASP C C 16 175.706 175.663 0.043 1
1 220 . 17 1 1 A 16 16 ASP CA C 16 55.090 53.849 1.241 1
1 221 . 17 1 1 A 16 16 ASP CB C 16 43.460 43.607 -0.147 1
1 222 . 17 1 1 A 16 16 ASP N N 16 113.838 116.725 -2.887 1
1 223 . 17 1 1 A 17 17 ARG H H 17 9.352 8.922 0.430 1
1 224 . 17 1 1 A 17 17 ARG HA H 17 4.253 4.245 0.008 1
1 231 . 17 1 1 A 17 17 ARG C C 17 178.889 177.372 1.517 1
1 232 . 17 1 1 A 17 17 ARG CA C 17 58.566 58.394 0.172 1
1 233 . 17 1 1 A 17 17 ARG CB C 17 29.280 30.199 -0.919 1
1 236 . 17 1 1 A 17 17 ARG N N 17 131.098 125.020 6.078 1
1 237 . 17 1 1 A 18 18 GLY H H 18 9.534 8.228 1.306 1
1 238 . 17 1 1 A 18 18 GLY HA2 H 18 3.857 3.922 -0.065 1
1 239 . 17 1 1 A 18 18 GLY HA3 H 18 3.946 4.003 -0.057 1
1 240 . 17 1 1 A 18 18 GLY C C 18 173.747 175.414 -1.667 1
1 241 . 17 1 1 A 18 18 GLY CA C 18 45.820 45.845 -0.025 1
1 242 . 17 1 1 A 18 18 GLY N N 18 111.218 108.403 2.815 1
1 243 . 17 1 1 A 19 19 THR H H 19 7.486 7.670 -0.184 1
1 244 . 17 1 1 A 19 19 THR HA H 19 3.293 3.625 -0.332 1
1 249 . 17 1 1 A 19 19 THR C C 19 177.067 176.773 0.294 1
1 250 . 17 1 1 A 19 19 THR CA C 19 63.090 64.252 -1.162 1
1 251 . 17 1 1 A 19 19 THR CB C 19 69.960 68.254 1.706 1
1 253 . 17 1 1 A 19 19 THR N N 19 106.889 112.076 -5.187 1
1 254 . 17 1 1 A 20 20 ALA H H 20 7.648 7.882 -0.234 1
1 255 . 17 1 1 A 20 20 ALA HA H 20 4.246 4.325 -0.079 1
1 259 . 17 1 1 A 20 20 ALA CA C 20 57.780 57.145 0.635 1
1 260 . 17 1 1 A 20 20 ALA CB C 20 15.960 17.003 -1.043 1
1 261 . 17 1 1 A 20 20 ALA N N 20 125.258 124.836 0.422 1
1 262 . 17 1 1 A 21 21 PRO HA H 21 4.169 4.220 -0.051 1
1 269 . 17 1 1 A 21 21 PRO C C 21 177.812 179.416 -1.604 1
1 270 . 17 1 1 A 21 21 PRO CA C 21 65.630 66.011 -0.381 1
1 271 . 17 1 1 A 21 21 PRO CB C 21 31.220 30.721 0.499 1
1 274 . 17 1 1 A 22 22 ILE H H 22 7.120 7.398 -0.278 1
1 275 . 17 1 1 A 22 22 ILE HA H 22 3.622 3.703 -0.081 1
1 285 . 17 1 1 A 22 22 ILE C C 22 179.561 178.190 1.371 1
1 286 . 17 1 1 A 22 22 ILE CA C 22 64.640 63.934 0.706 1
1 287 . 17 1 1 A 22 22 ILE CB C 22 37.200 37.339 -0.139 1
1 291 . 17 1 1 A 22 22 ILE N N 22 117.089 116.374 0.715 1
1 292 . 17 1 1 A 23 23 PHE H H 23 7.411 7.726 -0.315 1
1 293 . 17 1 1 A 23 23 PHE HA H 23 3.919 4.293 -0.374 1
1 301 . 17 1 1 A 23 23 PHE C C 23 178.486 178.154 0.332 1
1 302 . 17 1 1 A 23 23 PHE CA C 23 63.450 60.762 2.688 1
1 303 . 17 1 1 A 23 23 PHE CB C 23 38.740 39.015 -0.275 1
1 309 . 17 1 1 A 23 23 PHE N N 23 118.753 118.837 -0.084 1
1 310 . 17 1 1 A 24 24 ILE H H 24 8.077 8.320 -0.243 1
1 311 . 17 1 1 A 24 24 ILE HA H 24 3.503 3.951 -0.448 1
1 321 . 17 1 1 A 24 24 ILE C C 24 180.431 177.787 2.644 1
1 322 . 17 1 1 A 24 24 ILE CA C 24 64.997 65.542 -0.545 1
1 323 . 17 1 1 A 24 24 ILE CB C 24 38.110 37.677 0.433 1
1 327 . 17 1 1 A 24 24 ILE N N 24 120.410 119.683 0.727 1
1 328 . 17 1 1 A 25 25 ASN H H 25 8.971 8.593 0.378 1
1 329 . 17 1 1 A 25 25 ASN HA H 25 4.453 4.332 0.121 1
1 334 . 17 1 1 A 25 25 ASN C C 25 176.784 177.214 -0.430 1
1 335 . 17 1 1 A 25 25 ASN CA C 25 55.321 56.881 -1.560 1
1 336 . 17 1 1 A 25 25 ASN CB C 25 37.880 39.794 -1.914 1
1 337 . 17 1 1 A 25 25 ASN N N 25 120.191 119.496 0.695 1
1 339 . 17 1 1 A 26 26 ASN H H 26 7.315 7.708 -0.393 1
1 340 . 17 1 1 A 26 26 ASN HA H 26 4.601 4.727 -0.126 1
1 345 . 17 1 1 A 26 26 ASN C C 26 173.732 175.314 -1.582 1
1 346 . 17 1 1 A 26 26 ASN CA C 26 54.840 53.182 1.658 1
1 347 . 17 1 1 A 26 26 ASN CB C 26 40.890 39.034 1.856 1
1 348 . 17 1 1 A 26 26 ASN N N 26 116.500 114.690 1.810 1
1 350 . 17 1 1 A 27 27 GLY H H 27 7.880 7.899 -0.019 1
1 351 . 17 1 1 A 27 27 GLY HA2 H 27 4.305 3.923 0.382 1
1 352 . 17 1 1 A 27 27 GLY HA3 H 27 3.570 4.008 -0.438 1
1 353 . 17 1 1 A 27 27 GLY CA C 27 45.308 44.907 0.401 1
1 354 . 17 1 1 A 27 27 GLY N N 27 104.918 105.553 -0.635 1
1 355 . 17 1 1 A 28 28 MET H H 28 7.948 7.988 -0.040 1
1 356 . 17 1 1 A 28 28 MET HA H 28 4.190 4.383 -0.193 1
1 364 . 17 1 1 A 28 28 MET C C 28 174.147 175.032 -0.885 1
1 365 . 17 1 1 A 28 28 MET CA C 28 54.335 55.904 -1.569 1
1 366 . 17 1 1 A 28 28 MET CB C 28 31.978 33.317 -1.339 1
1 369 . 17 1 1 A 28 28 MET N N 28 120.940 120.925 0.015 1
1 370 . 17 1 1 A 29 29 HIS H H 29 7.994 8.903 -0.909 1
1 371 . 17 1 1 A 29 29 HIS HA H 29 4.592 4.831 -0.239 1
1 375 . 17 1 1 A 29 29 HIS C C 29 177.664 174.647 3.017 1
1 376 . 17 1 1 A 29 29 HIS CA C 29 56.178 54.518 1.660 1
1 377 . 17 1 1 A 29 29 HIS CB C 29 30.190 29.121 1.069 1
1 378 . 17 1 1 A 29 29 HIS N N 29 121.779 121.213 0.566 1
1 379 . 17 1 1 A 30 30 CYS H H 30 7.867 8.496 -0.629 1
1 380 . 17 1 1 A 30 30 CYS HA H 30 4.555 5.375 -0.820 1
1 383 . 17 1 1 A 30 30 CYS C C 30 174.265 174.285 -0.020 1
1 384 . 17 1 1 A 30 30 CYS CA C 30 57.398 58.432 -1.034 1
1 385 . 17 1 1 A 30 30 CYS CB C 30 28.234 27.401 0.833 1
1 386 . 17 1 1 A 30 30 CYS N N 30 116.200 123.858 -7.658 1
1 387 . 17 1 1 A 31 31 LEU H H 31 7.845 8.512 -0.667 1
1 388 . 17 1 1 A 31 31 LEU HA H 31 4.045 4.508 -0.463 1
1 398 . 17 1 1 A 31 31 LEU C C 31 177.285 176.706 0.579 1
1 399 . 17 1 1 A 31 31 LEU CA C 31 56.415 53.883 2.532 1
1 400 . 17 1 1 A 31 31 LEU CB C 31 41.172 42.887 -1.715 1
1 404 . 17 1 1 A 31 31 LEU N N 31 122.518 125.561 -3.043 1
1 405 . 17 1 1 A 32 32 GLY H H 32 8.292 9.011 -0.719 1
1 406 . 17 1 1 A 32 32 GLY HA2 H 32 3.852 3.933 -0.081 1
1 407 . 17 1 1 A 32 32 GLY HA3 H 32 3.852 3.936 -0.084 1
1 408 . 17 1 1 A 32 32 GLY C C 32 173.868 174.215 -0.347 1
1 409 . 17 1 1 A 32 32 GLY CA C 32 45.182 45.799 -0.617 1
1 410 . 17 1 1 A 32 32 GLY N N 32 108.193 115.395 -7.202 1
1 411 . 17 1 1 A 33 33 CYS H H 33 7.747 8.316 -0.569 1
1 412 . 17 1 1 A 33 33 CYS HA H 33 4.826 4.502 0.324 1
1 415 . 17 1 1 A 33 33 CYS CA C 33 56.005 58.559 -2.554 1
1 416 . 17 1 1 A 33 33 CYS CB C 33 27.330 27.851 -0.521 1
1 417 . 17 1 1 A 33 33 CYS N N 33 120.574 120.433 0.141 1
1 418 . 17 1 1 A 34 34 PRO HA H 34 4.179 4.365 -0.186 1
1 425 . 17 1 1 A 34 34 PRO C C 34 178.582 177.964 0.618 1
1 426 . 17 1 1 A 34 34 PRO CA C 34 65.610 65.548 0.062 1
1 427 . 17 1 1 A 34 34 PRO CB C 34 32.071 31.606 0.465 1
1 430 . 17 1 1 A 35 35 SER H H 35 8.315 8.234 0.081 1
1 431 . 17 1 1 A 35 35 SER HA H 35 4.209 4.338 -0.129 1
1 434 . 17 1 1 A 35 35 SER C C 35 177.910 175.425 2.485 1
1 435 . 17 1 1 A 35 35 SER CA C 35 60.704 60.240 0.464 1
1 436 . 17 1 1 A 35 35 SER CB C 35 62.590 63.003 -0.413 1
1 437 . 17 1 1 A 35 35 SER N N 35 112.899 113.132 -0.233 1
1 438 . 17 1 1 A 36 36 SER H H 36 7.903 8.156 -0.253 1
1 439 . 17 1 1 A 36 36 SER HA H 36 4.432 4.588 -0.156 1
1 442 . 17 1 1 A 36 36 SER C C 36 175.084 175.374 -0.290 1
1 443 . 17 1 1 A 36 36 SER CA C 36 60.336 59.822 0.514 1
1 444 . 17 1 1 A 36 36 SER CB C 36 63.920 64.013 -0.093 1
1 445 . 17 1 1 A 36 36 SER N N 36 117.747 115.579 2.168 1
1 446 . 17 1 1 A 37 37 MET H H 37 7.646 8.237 -0.591 1
1 447 . 17 1 1 A 37 37 MET HA H 37 4.114 4.567 -0.453 1
1 455 . 17 1 1 A 37 37 MET C C 37 175.617 177.658 -2.041 1
1 456 . 17 1 1 A 37 37 MET CA C 37 56.922 56.155 0.767 1
1 457 . 17 1 1 A 37 37 MET CB C 37 32.891 34.141 -1.250 1
1 460 . 17 1 1 A 37 37 MET N N 37 117.790 118.327 -0.537 1
1 461 . 17 1 1 A 38 38 GLY H H 38 7.742 8.130 -0.388 1
1 462 . 17 1 1 A 38 38 GLY HA2 H 38 4.156 3.933 0.223 1
1 463 . 17 1 1 A 38 38 GLY HA3 H 38 3.623 3.938 -0.315 1
1 464 . 17 1 1 A 38 38 GLY C C 38 174.147 174.373 -0.226 1
1 465 . 17 1 1 A 38 38 GLY CA C 38 45.260 45.890 -0.630 1
1 466 . 17 1 1 A 38 38 GLY N N 38 104.897 106.911 -2.014 1
1 467 . 17 1 1 A 39 39 GLU H H 39 7.288 7.854 -0.566 1
1 468 . 17 1 1 A 39 39 GLU HA H 39 4.539 4.670 -0.131 1
1 473 . 17 1 1 A 39 39 GLU C C 39 173.845 176.024 -2.179 1
1 474 . 17 1 1 A 39 39 GLU CA C 39 54.885 55.218 -0.333 1
1 475 . 17 1 1 A 39 39 GLU CB C 39 31.980 30.735 1.245 1
1 477 . 17 1 1 A 39 39 GLU N N 39 119.469 120.636 -1.167 1
1 478 . 17 1 1 A 40 40 SER H H 40 9.174 8.730 0.444 1
1 479 . 17 1 1 A 40 40 SER HA H 40 4.847 4.970 -0.123 1
1 482 . 17 1 1 A 40 40 SER C C 40 175.082 176.083 -1.001 1
1 483 . 17 1 1 A 40 40 SER CA C 40 56.757 57.641 -0.884 1
1 484 . 17 1 1 A 40 40 SER CB C 40 65.397 65.402 -0.005 1
1 485 . 17 1 1 A 40 40 SER N N 40 115.819 114.528 1.291 1
1 486 . 17 1 1 A 41 41 ILE H H 41 8.739 9.043 -0.304 1
1 487 . 17 1 1 A 41 41 ILE HA H 41 3.512 3.807 -0.295 1
1 497 . 17 1 1 A 41 41 ILE C C 41 178.832 177.762 1.070 1
1 498 . 17 1 1 A 41 41 ILE CA C 41 67.190 65.637 1.553 1
1 499 . 17 1 1 A 41 41 ILE CB C 41 38.460 38.178 0.282 1
1 503 . 17 1 1 A 41 41 ILE N N 41 121.236 122.608 -1.372 1
1 504 . 17 1 1 A 42 42 GLU H H 42 8.932 8.586 0.346 1
1 505 . 17 1 1 A 42 42 GLU HA H 42 3.826 4.078 -0.252 1
1 510 . 17 1 1 A 42 42 GLU C C 42 178.134 178.481 -0.347 1
1 511 . 17 1 1 A 42 42 GLU CA C 42 59.860 59.237 0.623 1
1 512 . 17 1 1 A 42 42 GLU CB C 42 29.286 29.337 -0.051 1
1 514 . 17 1 1 A 42 42 GLU N N 42 117.512 120.292 -2.780 1
1 515 . 17 1 1 A 43 43 ASP H H 43 8.090 7.802 0.288 1
1 516 . 17 1 1 A 43 43 ASP HA H 43 4.428 4.368 0.060 1
1 519 . 17 1 1 A 43 43 ASP C C 43 179.021 178.110 0.911 1
1 520 . 17 1 1 A 43 43 ASP CA C 43 57.460 57.718 -0.258 1
1 521 . 17 1 1 A 43 43 ASP CB C 43 39.485 41.156 -1.671 1
1 522 . 17 1 1 A 43 43 ASP N N 43 122.750 120.280 2.470 1
1 523 . 17 1 1 A 44 44 ALA H H 44 8.807 8.337 0.470 1
1 524 . 17 1 1 A 44 44 ALA HA H 44 4.242 4.146 0.096 1
1 528 . 17 1 1 A 44 44 ALA C C 44 181.423 180.393 1.030 1
1 529 . 17 1 1 A 44 44 ALA CA C 44 55.260 55.081 0.179 1
1 530 . 17 1 1 A 44 44 ALA CB C 44 19.775 18.235 1.540 1
1 531 . 17 1 1 A 44 44 ALA N N 44 123.434 120.925 2.509 1
1 532 . 17 1 1 A 45 45 CYS H H 45 8.663 8.341 0.322 1
1 533 . 17 1 1 A 45 45 CYS HA H 45 4.039 4.213 -0.174 1
1 536 . 17 1 1 A 45 45 CYS C C 45 176.954 177.125 -0.171 1
1 537 . 17 1 1 A 45 45 CYS CA C 45 65.300 63.067 2.233 1
1 538 . 17 1 1 A 45 45 CYS CB C 45 26.940 26.289 0.651 1
1 539 . 17 1 1 A 45 45 CYS N N 45 115.424 116.349 -0.925 1
1 540 . 17 1 1 A 46 46 ALA H H 46 7.844 8.163 -0.319 1
1 541 . 17 1 1 A 46 46 ALA HA H 46 4.274 4.093 0.181 1
1 545 . 17 1 1 A 46 46 ALA C C 46 180.730 180.303 0.427 1
1 546 . 17 1 1 A 46 46 ALA CA C 46 55.127 55.169 -0.042 1
1 547 . 17 1 1 A 46 46 ALA CB C 46 18.020 18.222 -0.202 1
1 548 . 17 1 1 A 46 46 ALA N N 46 122.366 122.425 -0.059 1
1 549 . 17 1 1 A 47 47 VAL H H 47 7.503 7.464 0.039 1
1 550 . 17 1 1 A 47 47 VAL HA H 47 3.690 3.553 0.137 1
1 558 . 17 1 1 A 47 47 VAL C C 47 177.652 176.961 0.691 1
1 559 . 17 1 1 A 47 47 VAL CA C 47 65.530 66.250 -0.720 1
1 560 . 17 1 1 A 47 47 VAL CB C 47 32.140 31.756 0.384 1
1 563 . 17 1 1 A 47 47 VAL N N 47 116.850 118.899 -2.049 1
1 564 . 17 1 1 A 48 48 HIS H H 48 7.496 7.525 -0.029 1
1 565 . 17 1 1 A 48 48 HIS HA H 48 4.629 4.670 -0.041 1
1 569 . 17 1 1 A 48 48 HIS C C 48 174.865 174.945 -0.080 1
1 570 . 17 1 1 A 48 48 HIS CA C 48 56.985 55.870 1.115 1
1 571 . 17 1 1 A 48 48 HIS CB C 48 31.033 30.335 0.698 1
1 573 . 17 1 1 A 48 48 HIS N N 48 114.271 116.057 -1.786 1
1 574 . 17 1 1 A 49 49 GLY H H 49 7.846 7.803 0.043 1
1 575 . 17 1 1 A 49 49 GLY HA2 H 49 4.002 3.886 0.116 1
1 576 . 17 1 1 A 49 49 GLY HA3 H 49 4.002 3.896 0.106 1
1 577 . 17 1 1 A 49 49 GLY C C 49 174.536 174.987 -0.451 1
1 578 . 17 1 1 A 49 49 GLY CA C 49 47.189 46.643 0.546 1
1 579 . 17 1 1 A 49 49 GLY N N 49 110.669 108.997 1.672 1
1 580 . 17 1 1 A 50 50 ILE H H 50 8.126 8.546 -0.420 1
1 581 . 17 1 1 A 50 50 ILE HA H 50 4.295 4.147 0.148 1
1 591 . 17 1 1 A 50 50 ILE C C 50 175.038 175.555 -0.517 1
1 592 . 17 1 1 A 50 50 ILE CA C 50 59.759 60.904 -1.145 1
1 593 . 17 1 1 A 50 50 ILE CB C 50 41.222 38.483 2.739 1
1 597 . 17 1 1 A 50 50 ILE N N 50 119.905 121.983 -2.078 1
1 598 . 17 1 1 A 51 51 ASP H H 51 8.497 8.563 -0.066 1
1 599 . 17 1 1 A 51 51 ASP HA H 51 4.523 4.780 -0.257 1
1 602 . 17 1 1 A 51 51 ASP C C 51 175.978 176.443 -0.465 1
1 603 . 17 1 1 A 51 51 ASP CA C 51 54.100 52.709 1.391 1
1 604 . 17 1 1 A 51 51 ASP CB C 51 40.990 40.275 0.715 1
1 605 . 17 1 1 A 51 51 ASP N N 51 124.951 126.485 -1.534 1
1 606 . 17 1 1 A 52 52 ALA H H 52 8.791 8.854 -0.063 1
1 607 . 17 1 1 A 52 52 ALA HA H 52 4.329 4.051 0.278 1
1 611 . 17 1 1 A 52 52 ALA CA C 52 55.070 55.356 -0.286 1
1 612 . 17 1 1 A 52 52 ALA CB C 52 19.480 18.192 1.288 1
1 613 . 17 1 1 A 52 52 ALA N N 52 131.766 128.741 3.025 1
1 614 . 17 1 1 A 53 53 ASP H H 53 8.082 8.221 -0.139 1
1 615 . 17 1 1 A 53 53 ASP HA H 53 4.321 4.352 -0.031 1
1 618 . 17 1 1 A 53 53 ASP CA C 53 57.500 58.042 -0.542 1
1 619 . 17 1 1 A 53 53 ASP CB C 53 39.940 42.268 -2.328 1
1 620 . 17 1 1 A 53 53 ASP N N 53 116.960 118.575 -1.615 1
1 621 . 17 1 1 A 54 54 LYS H H 54 7.762 7.751 0.011 1
1 622 . 17 1 1 A 54 54 LYS HA H 54 3.958 4.093 -0.135 1
1 631 . 17 1 1 A 54 54 LYS C C 54 177.748 178.927 -1.179 1
1 632 . 17 1 1 A 54 54 LYS CA C 54 59.355 59.355 0.000 1
1 633 . 17 1 1 A 54 54 LYS CB C 54 32.920 32.450 0.470 1
1 637 . 17 1 1 A 54 54 LYS N N 54 123.420 118.887 4.533 1
1 638 . 17 1 1 A 55 55 LEU H H 55 7.337 8.037 -0.700 1
1 639 . 17 1 1 A 55 55 LEU HA H 55 3.822 3.965 -0.143 1
1 649 . 17 1 1 A 55 55 LEU C C 55 177.966 178.389 -0.423 1
1 650 . 17 1 1 A 55 55 LEU CA C 55 58.258 58.362 -0.104 1
1 651 . 17 1 1 A 55 55 LEU CB C 55 41.908 41.412 0.496 1
1 655 . 17 1 1 A 55 55 LEU N N 55 119.522 121.756 -2.234 1
1 656 . 17 1 1 A 56 56 VAL H H 56 8.503 8.434 0.069 1
1 657 . 17 1 1 A 56 56 VAL HA H 56 3.378 3.523 -0.145 1
1 665 . 17 1 1 A 56 56 VAL C C 56 177.576 178.135 -0.559 1
1 666 . 17 1 1 A 56 56 VAL CA C 56 67.460 66.831 0.629 1
1 667 . 17 1 1 A 56 56 VAL CB C 56 31.560 31.457 0.103 1
1 670 . 17 1 1 A 56 56 VAL N N 56 117.548 119.289 -1.741 1
1 671 . 17 1 1 A 57 57 LYS H H 57 8.003 7.942 0.061 1
1 672 . 17 1 1 A 57 57 LYS HA H 57 4.200 3.900 0.300 1
1 681 . 17 1 1 A 57 57 LYS C C 57 179.196 180.031 -0.835 1
1 682 . 17 1 1 A 57 57 LYS CA C 57 60.130 60.353 -0.223 1
1 683 . 17 1 1 A 57 57 LYS CB C 57 32.383 32.142 0.241 1
1 687 . 17 1 1 A 57 57 LYS N N 57 122.289 119.000 3.289 1
1 688 . 17 1 1 A 58 58 GLU H H 58 8.035 8.065 -0.030 1
1 689 . 17 1 1 A 58 58 GLU HA H 58 4.010 4.004 0.006 1
1 694 . 17 1 1 A 58 58 GLU CA C 58 59.975 59.003 0.972 1
1 695 . 17 1 1 A 58 58 GLU CB C 58 29.430 29.153 0.277 1
1 697 . 17 1 1 A 58 58 GLU N N 58 119.482 120.746 -1.264 1
1 698 . 17 1 1 A 59 59 LEU H H 59 8.560 8.226 0.334 1
1 699 . 17 1 1 A 59 59 LEU HA H 59 3.998 3.879 0.119 1
1 709 . 17 1 1 A 59 59 LEU C C 59 178.239 179.217 -0.978 1
1 710 . 17 1 1 A 59 59 LEU CA C 59 58.200 57.849 0.351 1
1 711 . 17 1 1 A 59 59 LEU CB C 59 42.695 41.734 0.961 1
1 715 . 17 1 1 A 59 59 LEU N N 59 121.725 120.553 1.172 1
1 716 . 17 1 1 A 60 60 ASN H H 60 8.684 8.676 0.008 1
1 717 . 17 1 1 A 60 60 ASN HA H 60 4.806 4.660 0.146 1
1 722 . 17 1 1 A 60 60 ASN C C 60 178.495 178.327 0.168 1
1 723 . 17 1 1 A 60 60 ASN CA C 60 57.895 56.718 1.177 1
1 724 . 17 1 1 A 60 60 ASN CB C 60 38.528 38.104 0.424 1
1 725 . 17 1 1 A 60 60 ASN N N 60 117.410 117.599 -0.189 1
1 727 . 17 1 1 A 61 61 GLU H H 61 8.602 8.509 0.093 1
1 728 . 17 1 1 A 61 61 GLU HA H 61 4.040 4.230 -0.190 1
1 733 . 17 1 1 A 61 61 GLU C C 61 178.325 178.635 -0.310 1
1 734 . 17 1 1 A 61 61 GLU CA C 61 59.814 59.452 0.362 1
1 735 . 17 1 1 A 61 61 GLU CB C 61 29.610 29.549 0.061 1
1 737 . 17 1 1 A 61 61 GLU N N 61 121.480 119.547 1.933 1
1 738 . 17 1 1 A 62 62 TYR H H 62 7.698 7.824 -0.126 1
1 739 . 17 1 1 A 62 62 TYR HA H 62 3.978 4.190 -0.212 1
1 746 . 17 1 1 A 62 62 TYR C C 62 177.947 177.645 0.302 1
1 747 . 17 1 1 A 62 62 TYR CA C 62 61.600 61.321 0.279 1
1 748 . 17 1 1 A 62 62 TYR CB C 62 37.513 38.225 -0.712 1
1 753 . 17 1 1 A 62 62 TYR N N 62 120.683 121.352 -0.669 1
1 754 . 17 1 1 A 63 63 PHE H H 63 7.982 8.047 -0.065 1
1 755 . 17 1 1 A 63 63 PHE HA H 63 3.932 3.992 -0.060 1
1 763 . 17 1 1 A 63 63 PHE CA C 63 63.262 62.275 0.987 1
1 764 . 17 1 1 A 63 63 PHE CB C 63 39.120 38.229 0.891 1
1 770 . 17 1 1 A 63 63 PHE N N 63 117.730 118.242 -0.512 1
1 771 . 17 1 1 A 64 64 GLU H H 64 8.554 8.281 0.273 1
1 772 . 17 1 1 A 64 64 GLU HA H 64 4.095 4.038 0.057 1
1 777 . 17 1 1 A 64 64 GLU C C 64 178.921 179.181 -0.260 1
1 778 . 17 1 1 A 64 64 GLU CA C 64 59.322 59.929 -0.607 1
1 779 . 17 1 1 A 64 64 GLU CB C 64 29.670 29.162 0.508 1
1 781 . 17 1 1 A 64 64 GLU N N 64 121.392 120.237 1.155 1
1 782 . 17 1 1 A 65 65 LYS H H 65 7.850 7.590 0.260 1
1 783 . 17 1 1 A 65 65 LYS HA H 65 3.982 4.074 -0.092 1
1 792 . 17 1 1 A 65 65 LYS C C 65 178.374 179.521 -1.147 1
1 793 . 17 1 1 A 65 65 LYS CA C 65 58.638 59.672 -1.034 1
1 794 . 17 1 1 A 65 65 LYS CB C 65 32.110 32.157 -0.047 1
1 798 . 17 1 1 A 65 65 LYS N N 65 118.746 119.736 -0.990 1
1 799 . 17 1 1 A 66 66 LYS H H 66 7.503 7.384 0.119 1
1 800 . 17 1 1 A 66 66 LYS HA H 66 3.880 3.875 0.005 1
1 809 . 17 1 1 A 66 66 LYS C C 66 177.925 179.920 -1.995 1
1 810 . 17 1 1 A 66 66 LYS CA C 66 58.590 59.901 -1.311 1
1 811 . 17 1 1 A 66 66 LYS CB C 66 32.560 32.013 0.547 1
1 815 . 17 1 1 A 66 66 LYS N N 66 119.241 119.687 -0.446 1
1 816 . 17 1 1 A 67 67 GLU H H 67 7.876 8.141 -0.265 1
1 817 . 17 1 1 A 67 67 GLU HA H 67 4.097 4.027 0.070 1
1 822 . 17 1 1 A 67 67 GLU C C 67 178.016 179.034 -1.018 1
1 823 . 17 1 1 A 67 67 GLU CA C 67 58.280 58.905 -0.625 1
1 824 . 17 1 1 A 67 67 GLU CB C 67 29.802 29.291 0.511 1
1 826 . 17 1 1 A 67 67 GLU N N 67 119.096 120.399 -1.303 1
1 827 . 17 1 1 A 68 68 VAL H H 68 7.719 7.287 0.432 1
1 828 . 17 1 1 A 68 68 VAL HA H 68 3.797 3.659 0.138 1
1 836 . 17 1 1 A 68 68 VAL C C 68 177.668 177.706 -0.038 1
1 837 . 17 1 1 A 68 68 VAL CA C 68 64.600 66.080 -1.480 1
1 838 . 17 1 1 A 68 68 VAL CB C 68 32.050 31.798 0.252 1
1 841 . 17 1 1 A 68 68 VAL N N 68 119.409 121.208 -1.799 1
1 842 . 17 1 1 A 69 69 LEU H H 69 7.911 8.385 -0.474 1
1 843 . 17 1 1 A 69 69 LEU HA H 69 4.127 3.860 0.267 1
1 853 . 17 1 1 A 69 69 LEU C C 69 178.438 178.839 -0.401 1
1 854 . 17 1 1 A 69 69 LEU CA C 69 56.461 58.330 -1.869 1
1 855 . 17 1 1 A 69 69 LEU CB C 69 42.153 41.661 0.492 1
1 859 . 17 1 1 A 69 69 LEU N N 69 122.199 118.571 3.628 1
1 14 . 18 1 1 A 2 2 LYS H H 2 8.383 8.690 -0.307 1
1 15 . 18 1 1 A 2 2 LYS HA H 2 4.314 4.742 -0.428 1
1 24 . 18 1 1 A 2 2 LYS C C 2 175.001 176.369 -1.368 1
1 25 . 18 1 1 A 2 2 LYS CA C 2 56.188 55.161 1.027 1
1 26 . 18 1 1 A 2 2 LYS CB C 2 33.481 33.925 -0.444 1
1 30 . 18 1 1 A 2 2 LYS N N 2 124.593 124.469 0.124 1
1 31 . 18 1 1 A 3 3 ILE H H 3 9.639 8.658 0.981 1
1 32 . 18 1 1 A 3 3 ILE HA H 3 4.510 4.348 0.162 1
1 42 . 18 1 1 A 3 3 ILE C C 3 176.337 175.760 0.577 1
1 43 . 18 1 1 A 3 3 ILE CA C 3 58.009 62.065 -4.056 1
1 44 . 18 1 1 A 3 3 ILE CB C 3 36.405 38.055 -1.650 1
1 48 . 18 1 1 A 3 3 ILE N N 3 124.160 123.916 0.244 1
1 49 . 18 1 1 A 4 4 THR H H 4 7.637 8.162 -0.525 1
1 50 . 18 1 1 A 4 4 THR HA H 4 4.795 5.030 -0.235 1
1 55 . 18 1 1 A 4 4 THR C C 4 175.818 175.246 0.572 1
1 56 . 18 1 1 A 4 4 THR CA C 4 59.550 59.113 0.437 1
1 57 . 18 1 1 A 4 4 THR CB C 4 71.365 71.885 -0.520 1
1 59 . 18 1 1 A 4 4 THR N N 4 115.631 116.677 -1.046 1
1 60 . 18 1 1 A 5 5 LYS H H 5 9.100 8.942 0.158 1
1 61 . 18 1 1 A 5 5 LYS HA H 5 3.910 4.089 -0.179 1
1 70 . 18 1 1 A 5 5 LYS C C 5 173.504 178.374 -4.870 1
1 71 . 18 1 1 A 5 5 LYS CA C 5 58.730 58.604 0.126 1
1 72 . 18 1 1 A 5 5 LYS CB C 5 32.584 32.132 0.452 1
1 76 . 18 1 1 A 5 5 LYS N N 5 117.257 120.139 -2.882 1
1 77 . 18 1 1 A 6 6 ASP H H 6 8.542 7.837 0.705 1
1 78 . 18 1 1 A 6 6 ASP HA H 6 4.577 4.471 0.106 1
1 81 . 18 1 1 A 6 6 ASP C C 6 176.227 176.546 -0.319 1
1 82 . 18 1 1 A 6 6 ASP CA C 6 53.772 56.558 -2.786 1
1 83 . 18 1 1 A 6 6 ASP CB C 6 40.478 41.051 -0.573 1
1 84 . 18 1 1 A 6 6 ASP N N 6 115.528 120.034 -4.506 1
1 85 . 18 1 1 A 7 7 MET H H 7 7.545 7.924 -0.379 1
1 86 . 18 1 1 A 7 7 MET HA H 7 4.037 4.605 -0.568 1
1 94 . 18 1 1 A 7 7 MET C C 7 174.214 175.970 -1.756 1
1 95 . 18 1 1 A 7 7 MET CA C 7 57.578 55.696 1.882 1
1 96 . 18 1 1 A 7 7 MET CB C 7 33.295 33.522 -0.227 1
1 99 . 18 1 1 A 7 7 MET N N 7 119.925 118.373 1.552 1
1 100 . 18 1 1 A 8 8 ILE H H 8 8.721 8.590 0.131 1
1 101 . 18 1 1 A 8 8 ILE HA H 8 4.110 4.118 -0.008 1
1 111 . 18 1 1 A 8 8 ILE C C 8 178.731 176.559 2.172 1
1 112 . 18 1 1 A 8 8 ILE CA C 8 59.060 61.730 -2.670 1
1 113 . 18 1 1 A 8 8 ILE CB C 8 36.472 37.937 -1.465 1
1 117 . 18 1 1 A 8 8 ILE N N 8 121.085 122.895 -1.810 1
1 118 . 18 1 1 A 9 9 ILE H H 9 8.522 8.304 0.218 1
1 119 . 18 1 1 A 9 9 ILE HA H 9 3.238 3.576 -0.338 1
1 129 . 18 1 1 A 9 9 ILE C C 9 178.227 177.422 0.805 1
1 130 . 18 1 1 A 9 9 ILE CA C 9 67.720 64.824 2.896 1
1 131 . 18 1 1 A 9 9 ILE CB C 9 37.078 37.246 -0.168 1
1 135 . 18 1 1 A 9 9 ILE N N 9 128.907 124.889 4.018 1
1 136 . 18 1 1 A 10 10 ALA H H 10 8.578 8.286 0.292 1
1 137 . 18 1 1 A 10 10 ALA HA H 10 3.837 3.951 -0.114 1
1 141 . 18 1 1 A 10 10 ALA C C 10 179.790 179.593 0.197 1
1 142 . 18 1 1 A 10 10 ALA CA C 10 55.447 55.135 0.312 1
1 143 . 18 1 1 A 10 10 ALA CB C 10 19.000 18.028 0.972 1
1 144 . 18 1 1 A 10 10 ALA N N 10 118.416 121.428 -3.012 1
1 145 . 18 1 1 A 11 11 ASP H H 11 7.100 8.089 -0.989 1
1 146 . 18 1 1 A 11 11 ASP HA H 11 4.380 4.401 -0.021 1
1 149 . 18 1 1 A 11 11 ASP C C 11 178.903 178.631 0.272 1
1 150 . 18 1 1 A 11 11 ASP CA C 11 56.979 57.366 -0.387 1
1 151 . 18 1 1 A 11 11 ASP CB C 11 39.520 41.152 -1.632 1
1 152 . 18 1 1 A 11 11 ASP N N 11 116.224 118.974 -2.750 1
1 153 . 18 1 1 A 12 12 VAL H H 12 7.723 8.050 -0.327 1
1 154 . 18 1 1 A 12 12 VAL HA H 12 3.862 3.753 0.109 1
1 162 . 18 1 1 A 12 12 VAL C C 12 177.664 178.216 -0.552 1
1 163 . 18 1 1 A 12 12 VAL CA C 12 66.656 66.841 -0.185 1
1 164 . 18 1 1 A 12 12 VAL CB C 12 31.980 31.550 0.430 1
1 167 . 18 1 1 A 12 12 VAL N N 12 123.054 120.114 2.940 1
1 168 . 18 1 1 A 13 13 LEU H H 13 7.995 8.064 -0.069 1
1 169 . 18 1 1 A 13 13 LEU HA H 13 3.945 4.213 -0.268 1
1 179 . 18 1 1 A 13 13 LEU C C 13 175.458 179.448 -3.990 1
1 180 . 18 1 1 A 13 13 LEU CA C 13 57.259 57.838 -0.579 1
1 181 . 18 1 1 A 13 13 LEU CB C 13 42.140 40.767 1.373 1
1 185 . 18 1 1 A 13 13 LEU N N 13 118.291 119.884 -1.593 1
1 186 . 18 1 1 A 14 14 GLN H H 14 7.580 7.810 -0.230 1
1 187 . 18 1 1 A 14 14 GLN HA H 14 3.988 4.224 -0.236 1
1 194 . 18 1 1 A 14 14 GLN C C 14 178.311 179.049 -0.738 1
1 195 . 18 1 1 A 14 14 GLN CA C 14 57.659 58.709 -1.050 1
1 196 . 18 1 1 A 14 14 GLN CB C 14 28.700 28.211 0.489 1
1 198 . 18 1 1 A 14 14 GLN N N 14 114.621 117.743 -3.122 1
1 200 . 18 1 1 A 15 15 MET H H 15 7.675 7.617 0.058 1
1 201 . 18 1 1 A 15 15 MET HA H 15 4.069 4.508 -0.439 1
1 209 . 18 1 1 A 15 15 MET C C 15 177.780 176.599 1.181 1
1 210 . 18 1 1 A 15 15 MET CA C 15 59.420 58.536 0.884 1
1 211 . 18 1 1 A 15 15 MET CB C 15 33.423 33.868 -0.445 1
1 214 . 18 1 1 A 15 15 MET N N 15 119.587 117.717 1.870 1
1 215 . 18 1 1 A 16 16 ASP H H 16 7.520 7.960 -0.440 1
1 216 . 18 1 1 A 16 16 ASP HA H 16 4.613 5.011 -0.398 1
1 219 . 18 1 1 A 16 16 ASP C C 16 175.706 175.663 0.043 1
1 220 . 18 1 1 A 16 16 ASP CA C 16 55.090 53.995 1.095 1
1 221 . 18 1 1 A 16 16 ASP CB C 16 43.460 43.569 -0.109 1
1 222 . 18 1 1 A 16 16 ASP N N 16 113.838 116.831 -2.993 1
1 223 . 18 1 1 A 17 17 ARG H H 17 9.352 8.921 0.431 1
1 224 . 18 1 1 A 17 17 ARG HA H 17 4.253 4.141 0.112 1
1 231 . 18 1 1 A 17 17 ARG C C 17 178.889 178.064 0.825 1
1 232 . 18 1 1 A 17 17 ARG CA C 17 58.566 59.061 -0.495 1
1 233 . 18 1 1 A 17 17 ARG CB C 17 29.280 29.922 -0.642 1
1 236 . 18 1 1 A 17 17 ARG N N 17 131.098 125.316 5.782 1
1 237 . 18 1 1 A 18 18 GLY H H 18 9.534 8.280 1.254 1
1 238 . 18 1 1 A 18 18 GLY HA2 H 18 3.857 3.929 -0.072 1
1 239 . 18 1 1 A 18 18 GLY HA3 H 18 3.946 3.983 -0.037 1
1 240 . 18 1 1 A 18 18 GLY C C 18 173.747 175.316 -1.569 1
1 241 . 18 1 1 A 18 18 GLY CA C 18 45.820 45.974 -0.154 1
1 242 . 18 1 1 A 18 18 GLY N N 18 111.218 108.208 3.010 1
1 243 . 18 1 1 A 19 19 THR H H 19 7.486 7.611 -0.125 1
1 244 . 18 1 1 A 19 19 THR HA H 19 3.293 3.682 -0.389 1
1 249 . 18 1 1 A 19 19 THR C C 19 177.067 176.727 0.340 1
1 250 . 18 1 1 A 19 19 THR CA C 19 63.090 64.066 -0.976 1
1 251 . 18 1 1 A 19 19 THR CB C 19 69.960 68.395 1.565 1
1 253 . 18 1 1 A 19 19 THR N N 19 106.889 111.659 -4.770 1
1 254 . 18 1 1 A 20 20 ALA H H 20 7.648 8.079 -0.431 1
1 255 . 18 1 1 A 20 20 ALA HA H 20 4.246 4.245 0.001 1
1 259 . 18 1 1 A 20 20 ALA CA C 20 57.780 57.125 0.655 1
1 260 . 18 1 1 A 20 20 ALA CB C 20 15.960 16.895 -0.935 1
1 261 . 18 1 1 A 20 20 ALA N N 20 125.258 125.129 0.129 1
1 262 . 18 1 1 A 21 21 PRO HA H 21 4.169 4.288 -0.119 1
1 269 . 18 1 1 A 21 21 PRO C C 21 177.812 179.146 -1.334 1
1 270 . 18 1 1 A 21 21 PRO CA C 21 65.630 65.564 0.066 1
1 271 . 18 1 1 A 21 21 PRO CB C 21 31.220 30.822 0.398 1
1 274 . 18 1 1 A 22 22 ILE H H 22 7.120 7.259 -0.139 1
1 275 . 18 1 1 A 22 22 ILE HA H 22 3.622 3.723 -0.101 1
1 285 . 18 1 1 A 22 22 ILE C C 22 179.561 178.087 1.474 1
1 286 . 18 1 1 A 22 22 ILE CA C 22 64.640 63.962 0.678 1
1 287 . 18 1 1 A 22 22 ILE CB C 22 37.200 37.314 -0.114 1
1 291 . 18 1 1 A 22 22 ILE N N 22 117.089 116.902 0.187 1
1 292 . 18 1 1 A 23 23 PHE H H 23 7.411 7.781 -0.370 1
1 293 . 18 1 1 A 23 23 PHE HA H 23 3.919 4.263 -0.344 1
1 301 . 18 1 1 A 23 23 PHE C C 23 178.486 178.142 0.344 1
1 302 . 18 1 1 A 23 23 PHE CA C 23 63.450 60.830 2.620 1
1 303 . 18 1 1 A 23 23 PHE CB C 23 38.740 38.730 0.010 1
1 309 . 18 1 1 A 23 23 PHE N N 23 118.753 118.668 0.085 1
1 310 . 18 1 1 A 24 24 ILE H H 24 8.077 8.427 -0.350 1
1 311 . 18 1 1 A 24 24 ILE HA H 24 3.503 3.898 -0.395 1
1 321 . 18 1 1 A 24 24 ILE C C 24 180.431 177.988 2.443 1
1 322 . 18 1 1 A 24 24 ILE CA C 24 64.997 65.561 -0.564 1
1 323 . 18 1 1 A 24 24 ILE CB C 24 38.110 37.540 0.570 1
1 327 . 18 1 1 A 24 24 ILE N N 24 120.410 119.809 0.601 1
1 328 . 18 1 1 A 25 25 ASN H H 25 8.971 8.412 0.559 1
1 329 . 18 1 1 A 25 25 ASN HA H 25 4.453 4.431 0.022 1
1 334 . 18 1 1 A 25 25 ASN C C 25 176.784 176.619 0.165 1
1 335 . 18 1 1 A 25 25 ASN CA C 25 55.321 56.498 -1.177 1
1 336 . 18 1 1 A 25 25 ASN CB C 25 37.880 39.383 -1.503 1
1 337 . 18 1 1 A 25 25 ASN N N 25 120.191 120.238 -0.047 1
1 339 . 18 1 1 A 26 26 ASN H H 26 7.315 7.699 -0.384 1
1 340 . 18 1 1 A 26 26 ASN HA H 26 4.601 4.737 -0.136 1
1 345 . 18 1 1 A 26 26 ASN C C 26 173.732 175.660 -1.928 1
1 346 . 18 1 1 A 26 26 ASN CA C 26 54.840 53.022 1.818 1
1 347 . 18 1 1 A 26 26 ASN CB C 26 40.890 39.206 1.684 1
1 348 . 18 1 1 A 26 26 ASN N N 26 116.500 115.159 1.341 1
1 350 . 18 1 1 A 27 27 GLY H H 27 7.880 7.771 0.109 1
1 351 . 18 1 1 A 27 27 GLY HA2 H 27 4.305 3.911 0.394 1
1 352 . 18 1 1 A 27 27 GLY HA3 H 27 3.570 3.956 -0.386 1
1 353 . 18 1 1 A 27 27 GLY CA C 27 45.308 44.868 0.440 1
1 354 . 18 1 1 A 27 27 GLY N N 27 104.918 106.482 -1.564 1
1 355 . 18 1 1 A 28 28 MET H H 28 7.948 7.679 0.269 1
1 356 . 18 1 1 A 28 28 MET HA H 28 4.190 4.583 -0.393 1
1 364 . 18 1 1 A 28 28 MET C C 28 174.147 174.375 -0.228 1
1 365 . 18 1 1 A 28 28 MET CA C 28 54.335 55.366 -1.031 1
1 366 . 18 1 1 A 28 28 MET CB C 28 31.978 34.054 -2.076 1
1 369 . 18 1 1 A 28 28 MET N N 28 120.940 120.045 0.895 1
1 370 . 18 1 1 A 29 29 HIS H H 29 7.994 9.017 -1.023 1
1 371 . 18 1 1 A 29 29 HIS HA H 29 4.592 5.041 -0.449 1
1 375 . 18 1 1 A 29 29 HIS C C 29 177.664 174.279 3.385 1
1 376 . 18 1 1 A 29 29 HIS CA C 29 56.178 54.336 1.842 1
1 377 . 18 1 1 A 29 29 HIS CB C 29 30.190 30.929 -0.739 1
1 378 . 18 1 1 A 29 29 HIS N N 29 121.779 117.578 4.201 1
1 379 . 18 1 1 A 30 30 CYS H H 30 7.867 8.767 -0.900 1
1 380 . 18 1 1 A 30 30 CYS HA H 30 4.555 4.505 0.050 1
1 383 . 18 1 1 A 30 30 CYS C C 30 174.265 174.689 -0.424 1
1 384 . 18 1 1 A 30 30 CYS CA C 30 57.398 58.343 -0.945 1
1 385 . 18 1 1 A 30 30 CYS CB C 30 28.234 25.946 2.288 1
1 386 . 18 1 1 A 30 30 CYS N N 30 116.200 124.985 -8.785 1
1 387 . 18 1 1 A 31 31 LEU H H 31 7.845 7.704 0.141 1
1 388 . 18 1 1 A 31 31 LEU HA H 31 4.045 4.412 -0.367 1
1 398 . 18 1 1 A 31 31 LEU C C 31 177.285 176.914 0.371 1
1 399 . 18 1 1 A 31 31 LEU CA C 31 56.415 54.561 1.854 1
1 400 . 18 1 1 A 31 31 LEU CB C 31 41.172 42.095 -0.923 1
1 404 . 18 1 1 A 31 31 LEU N N 31 122.518 122.770 -0.252 1
1 405 . 18 1 1 A 32 32 GLY H H 32 8.292 8.014 0.278 1
1 406 . 18 1 1 A 32 32 GLY HA2 H 32 3.852 3.923 -0.071 1
1 407 . 18 1 1 A 32 32 GLY HA3 H 32 3.852 3.928 -0.076 1
1 408 . 18 1 1 A 32 32 GLY C C 32 173.868 174.597 -0.729 1
1 409 . 18 1 1 A 32 32 GLY CA C 32 45.182 45.653 -0.471 1
1 410 . 18 1 1 A 32 32 GLY N N 32 108.193 107.541 0.652 1
1 411 . 18 1 1 A 33 33 CYS H H 33 7.747 7.917 -0.170 1
1 412 . 18 1 1 A 33 33 CYS HA H 33 4.826 4.508 0.318 1
1 415 . 18 1 1 A 33 33 CYS CA C 33 56.005 57.807 -1.802 1
1 416 . 18 1 1 A 33 33 CYS CB C 33 27.330 27.862 -0.532 1
1 417 . 18 1 1 A 33 33 CYS N N 33 120.574 118.994 1.580 1
1 418 . 18 1 1 A 34 34 PRO HA H 34 4.179 4.375 -0.196 1
1 425 . 18 1 1 A 34 34 PRO C C 34 178.582 178.708 -0.126 1
1 426 . 18 1 1 A 34 34 PRO CA C 34 65.610 65.772 -0.162 1
1 427 . 18 1 1 A 34 34 PRO CB C 34 32.071 31.530 0.541 1
1 430 . 18 1 1 A 35 35 SER H H 35 8.315 8.262 0.053 1
1 431 . 18 1 1 A 35 35 SER HA H 35 4.209 4.402 -0.193 1
1 434 . 18 1 1 A 35 35 SER C C 35 177.910 176.450 1.460 1
1 435 . 18 1 1 A 35 35 SER CA C 35 60.704 61.438 -0.734 1
1 436 . 18 1 1 A 35 35 SER CB C 35 62.590 62.657 -0.067 1
1 437 . 18 1 1 A 35 35 SER N N 35 112.899 113.049 -0.150 1
1 438 . 18 1 1 A 36 36 SER H H 36 7.903 8.063 -0.160 1
1 439 . 18 1 1 A 36 36 SER HA H 36 4.432 4.268 0.164 1
1 442 . 18 1 1 A 36 36 SER C C 36 175.084 175.806 -0.722 1
1 443 . 18 1 1 A 36 36 SER CA C 36 60.336 60.268 0.068 1
1 444 . 18 1 1 A 36 36 SER CB C 36 63.920 62.670 1.250 1
1 445 . 18 1 1 A 36 36 SER N N 36 117.747 115.808 1.939 1
1 446 . 18 1 1 A 37 37 MET H H 37 7.646 7.555 0.091 1
1 447 . 18 1 1 A 37 37 MET HA H 37 4.114 4.403 -0.289 1
1 455 . 18 1 1 A 37 37 MET C C 37 175.617 178.247 -2.630 1
1 456 . 18 1 1 A 37 37 MET CA C 37 56.922 56.965 -0.043 1
1 457 . 18 1 1 A 37 37 MET CB C 37 32.891 33.598 -0.707 1
1 460 . 18 1 1 A 37 37 MET N N 37 117.790 118.271 -0.481 1
1 461 . 18 1 1 A 38 38 GLY H H 38 7.742 7.967 -0.225 1
1 462 . 18 1 1 A 38 38 GLY HA2 H 38 4.156 3.949 0.207 1
1 463 . 18 1 1 A 38 38 GLY HA3 H 38 3.623 3.955 -0.332 1
1 464 . 18 1 1 A 38 38 GLY C C 38 174.147 174.051 0.096 1
1 465 . 18 1 1 A 38 38 GLY CA C 38 45.260 45.297 -0.037 1
1 466 . 18 1 1 A 38 38 GLY N N 38 104.897 107.302 -2.405 1
1 467 . 18 1 1 A 39 39 GLU H H 39 7.288 7.583 -0.295 1
1 468 . 18 1 1 A 39 39 GLU HA H 39 4.539 4.760 -0.221 1
1 473 . 18 1 1 A 39 39 GLU C C 39 173.845 175.984 -2.139 1
1 474 . 18 1 1 A 39 39 GLU CA C 39 54.885 54.521 0.364 1
1 475 . 18 1 1 A 39 39 GLU CB C 39 31.980 31.777 0.203 1
1 477 . 18 1 1 A 39 39 GLU N N 39 119.469 120.487 -1.018 1
1 478 . 18 1 1 A 40 40 SER H H 40 9.174 8.689 0.485 1
1 479 . 18 1 1 A 40 40 SER HA H 40 4.847 4.642 0.205 1
1 482 . 18 1 1 A 40 40 SER C C 40 175.082 175.864 -0.782 1
1 483 . 18 1 1 A 40 40 SER CA C 40 56.757 58.672 -1.915 1
1 484 . 18 1 1 A 40 40 SER CB C 40 65.397 63.964 1.433 1
1 485 . 18 1 1 A 40 40 SER N N 40 115.819 118.683 -2.864 1
1 486 . 18 1 1 A 41 41 ILE H H 41 8.739 8.968 -0.229 1
1 487 . 18 1 1 A 41 41 ILE HA H 41 3.512 3.823 -0.311 1
1 497 . 18 1 1 A 41 41 ILE C C 41 178.832 177.750 1.082 1
1 498 . 18 1 1 A 41 41 ILE CA C 41 67.190 65.618 1.572 1
1 499 . 18 1 1 A 41 41 ILE CB C 41 38.460 38.152 0.308 1
1 503 . 18 1 1 A 41 41 ILE N N 41 121.236 124.571 -3.335 1
1 504 . 18 1 1 A 42 42 GLU H H 42 8.932 8.541 0.391 1
1 505 . 18 1 1 A 42 42 GLU HA H 42 3.826 4.058 -0.232 1
1 510 . 18 1 1 A 42 42 GLU C C 42 178.134 178.579 -0.445 1
1 511 . 18 1 1 A 42 42 GLU CA C 42 59.860 59.206 0.654 1
1 512 . 18 1 1 A 42 42 GLU CB C 42 29.286 29.050 0.236 1
1 514 . 18 1 1 A 42 42 GLU N N 42 117.512 120.154 -2.642 1
1 515 . 18 1 1 A 43 43 ASP H H 43 8.090 8.318 -0.228 1
1 516 . 18 1 1 A 43 43 ASP HA H 43 4.428 4.371 0.057 1
1 519 . 18 1 1 A 43 43 ASP C C 43 179.021 178.089 0.932 1
1 520 . 18 1 1 A 43 43 ASP CA C 43 57.460 57.716 -0.256 1
1 521 . 18 1 1 A 43 43 ASP CB C 43 39.485 41.404 -1.919 1
1 522 . 18 1 1 A 43 43 ASP N N 43 122.750 120.639 2.111 1
1 523 . 18 1 1 A 44 44 ALA H H 44 8.807 8.289 0.518 1
1 524 . 18 1 1 A 44 44 ALA HA H 44 4.242 4.117 0.125 1
1 528 . 18 1 1 A 44 44 ALA C C 44 181.423 180.211 1.212 1
1 529 . 18 1 1 A 44 44 ALA CA C 44 55.260 55.002 0.258 1
1 530 . 18 1 1 A 44 44 ALA CB C 44 19.775 18.331 1.444 1
1 531 . 18 1 1 A 44 44 ALA N N 44 123.434 121.039 2.395 1
1 532 . 18 1 1 A 45 45 CYS H H 45 8.663 8.308 0.355 1
1 533 . 18 1 1 A 45 45 CYS HA H 45 4.039 4.179 -0.140 1
1 536 . 18 1 1 A 45 45 CYS C C 45 176.954 177.056 -0.102 1
1 537 . 18 1 1 A 45 45 CYS CA C 45 65.300 62.824 2.476 1
1 538 . 18 1 1 A 45 45 CYS CB C 45 26.940 26.338 0.602 1
1 539 . 18 1 1 A 45 45 CYS N N 45 115.424 116.355 -0.931 1
1 540 . 18 1 1 A 46 46 ALA H H 46 7.844 7.939 -0.095 1
1 541 . 18 1 1 A 46 46 ALA HA H 46 4.274 4.075 0.199 1
1 545 . 18 1 1 A 46 46 ALA C C 46 180.730 180.446 0.284 1
1 546 . 18 1 1 A 46 46 ALA CA C 46 55.127 55.183 -0.056 1
1 547 . 18 1 1 A 46 46 ALA CB C 46 18.020 18.205 -0.185 1
1 548 . 18 1 1 A 46 46 ALA N N 46 122.366 122.431 -0.065 1
1 549 . 18 1 1 A 47 47 VAL H H 47 7.503 7.885 -0.382 1
1 550 . 18 1 1 A 47 47 VAL HA H 47 3.690 3.587 0.103 1
1 558 . 18 1 1 A 47 47 VAL C C 47 177.652 177.184 0.468 1
1 559 . 18 1 1 A 47 47 VAL CA C 47 65.530 66.493 -0.963 1
1 560 . 18 1 1 A 47 47 VAL CB C 47 32.140 31.855 0.285 1
1 563 . 18 1 1 A 47 47 VAL N N 47 116.850 119.117 -2.267 1
1 564 . 18 1 1 A 48 48 HIS H H 48 7.496 7.455 0.041 1
1 565 . 18 1 1 A 48 48 HIS HA H 48 4.629 4.666 -0.037 1
1 569 . 18 1 1 A 48 48 HIS C C 48 174.865 174.896 -0.031 1
1 570 . 18 1 1 A 48 48 HIS CA C 48 56.985 55.864 1.121 1
1 571 . 18 1 1 A 48 48 HIS CB C 48 31.033 30.232 0.801 1
1 573 . 18 1 1 A 48 48 HIS N N 48 114.271 115.641 -1.370 1
1 574 . 18 1 1 A 49 49 GLY H H 49 7.846 7.880 -0.034 1
1 575 . 18 1 1 A 49 49 GLY HA2 H 49 4.002 3.882 0.120 1
1 576 . 18 1 1 A 49 49 GLY HA3 H 49 4.002 3.886 0.116 1
1 577 . 18 1 1 A 49 49 GLY C C 49 174.536 175.024 -0.488 1
1 578 . 18 1 1 A 49 49 GLY CA C 49 47.189 46.547 0.642 1
1 579 . 18 1 1 A 49 49 GLY N N 49 110.669 108.947 1.722 1
1 580 . 18 1 1 A 50 50 ILE H H 50 8.126 8.368 -0.242 1
1 581 . 18 1 1 A 50 50 ILE HA H 50 4.295 4.041 0.254 1
1 591 . 18 1 1 A 50 50 ILE C C 50 175.038 175.653 -0.615 1
1 592 . 18 1 1 A 50 50 ILE CA C 50 59.759 61.209 -1.450 1
1 593 . 18 1 1 A 50 50 ILE CB C 50 41.222 38.448 2.774 1
1 597 . 18 1 1 A 50 50 ILE N N 50 119.905 122.032 -2.127 1
1 598 . 18 1 1 A 51 51 ASP H H 51 8.497 8.501 -0.004 1
1 599 . 18 1 1 A 51 51 ASP HA H 51 4.523 4.790 -0.267 1
1 602 . 18 1 1 A 51 51 ASP C C 51 175.978 177.055 -1.077 1
1 603 . 18 1 1 A 51 51 ASP CA C 51 54.100 53.218 0.882 1
1 604 . 18 1 1 A 51 51 ASP CB C 51 40.990 40.712 0.278 1
1 605 . 18 1 1 A 51 51 ASP N N 51 124.951 126.669 -1.718 1
1 606 . 18 1 1 A 52 52 ALA H H 52 8.791 9.042 -0.251 1
1 607 . 18 1 1 A 52 52 ALA HA H 52 4.329 4.125 0.204 1
1 611 . 18 1 1 A 52 52 ALA CA C 52 55.070 54.782 0.288 1
1 612 . 18 1 1 A 52 52 ALA CB C 52 19.480 18.349 1.131 1
1 613 . 18 1 1 A 52 52 ALA N N 52 131.766 129.158 2.608 1
1 614 . 18 1 1 A 53 53 ASP H H 53 8.082 8.167 -0.085 1
1 615 . 18 1 1 A 53 53 ASP HA H 53 4.321 4.309 0.012 1
1 618 . 18 1 1 A 53 53 ASP CA C 53 57.500 57.887 -0.387 1
1 619 . 18 1 1 A 53 53 ASP CB C 53 39.940 41.990 -2.050 1
1 620 . 18 1 1 A 53 53 ASP N N 53 116.960 118.461 -1.501 1
1 621 . 18 1 1 A 54 54 LYS H H 54 7.762 8.012 -0.250 1
1 622 . 18 1 1 A 54 54 LYS HA H 54 3.958 4.073 -0.115 1
1 631 . 18 1 1 A 54 54 LYS C C 54 177.748 179.107 -1.359 1
1 632 . 18 1 1 A 54 54 LYS CA C 54 59.355 59.390 -0.035 1
1 633 . 18 1 1 A 54 54 LYS CB C 54 32.920 32.325 0.595 1
1 637 . 18 1 1 A 54 54 LYS N N 54 123.420 118.216 5.204 1
1 638 . 18 1 1 A 55 55 LEU H H 55 7.337 7.690 -0.353 1
1 639 . 18 1 1 A 55 55 LEU HA H 55 3.822 3.932 -0.110 1
1 649 . 18 1 1 A 55 55 LEU C C 55 177.966 178.361 -0.395 1
1 650 . 18 1 1 A 55 55 LEU CA C 55 58.258 58.338 -0.080 1
1 651 . 18 1 1 A 55 55 LEU CB C 55 41.908 41.644 0.264 1
1 655 . 18 1 1 A 55 55 LEU N N 55 119.522 121.761 -2.239 1
1 656 . 18 1 1 A 56 56 VAL H H 56 8.503 8.394 0.109 1
1 657 . 18 1 1 A 56 56 VAL HA H 56 3.378 3.505 -0.127 1
1 665 . 18 1 1 A 56 56 VAL C C 56 177.576 177.969 -0.393 1
1 666 . 18 1 1 A 56 56 VAL CA C 56 67.460 66.824 0.636 1
1 667 . 18 1 1 A 56 56 VAL CB C 56 31.560 31.440 0.120 1
1 670 . 18 1 1 A 56 56 VAL N N 56 117.548 119.271 -1.723 1
1 671 . 18 1 1 A 57 57 LYS H H 57 8.003 7.594 0.409 1
1 672 . 18 1 1 A 57 57 LYS HA H 57 4.200 3.865 0.335 1
1 681 . 18 1 1 A 57 57 LYS C C 57 179.196 180.091 -0.895 1
1 682 . 18 1 1 A 57 57 LYS CA C 57 60.130 60.498 -0.368 1
1 683 . 18 1 1 A 57 57 LYS CB C 57 32.383 32.396 -0.013 1
1 687 . 18 1 1 A 57 57 LYS N N 57 122.289 118.869 3.420 1
1 688 . 18 1 1 A 58 58 GLU H H 58 8.035 8.131 -0.096 1
1 689 . 18 1 1 A 58 58 GLU HA H 58 4.010 4.016 -0.006 1
1 694 . 18 1 1 A 58 58 GLU CA C 58 59.975 59.020 0.955 1
1 695 . 18 1 1 A 58 58 GLU CB C 58 29.430 29.111 0.319 1
1 697 . 18 1 1 A 58 58 GLU N N 58 119.482 120.280 -0.798 1
1 698 . 18 1 1 A 59 59 LEU H H 59 8.560 8.121 0.439 1
1 699 . 18 1 1 A 59 59 LEU HA H 59 3.998 3.865 0.133 1
1 709 . 18 1 1 A 59 59 LEU C C 59 178.239 179.221 -0.982 1
1 710 . 18 1 1 A 59 59 LEU CA C 59 58.200 57.893 0.307 1
1 711 . 18 1 1 A 59 59 LEU CB C 59 42.695 41.576 1.119 1
1 715 . 18 1 1 A 59 59 LEU N N 59 121.725 120.586 1.139 1
1 716 . 18 1 1 A 60 60 ASN H H 60 8.684 8.700 -0.016 1
1 717 . 18 1 1 A 60 60 ASN HA H 60 4.806 4.644 0.162 1
1 722 . 18 1 1 A 60 60 ASN C C 60 178.495 178.220 0.275 1
1 723 . 18 1 1 A 60 60 ASN CA C 60 57.895 56.692 1.203 1
1 724 . 18 1 1 A 60 60 ASN CB C 60 38.528 38.204 0.324 1
1 725 . 18 1 1 A 60 60 ASN N N 60 117.410 117.544 -0.134 1
1 727 . 18 1 1 A 61 61 GLU H H 61 8.602 8.343 0.259 1
1 728 . 18 1 1 A 61 61 GLU HA H 61 4.040 4.213 -0.173 1
1 733 . 18 1 1 A 61 61 GLU C C 61 178.325 178.605 -0.280 1
1 734 . 18 1 1 A 61 61 GLU CA C 61 59.814 59.387 0.427 1
1 735 . 18 1 1 A 61 61 GLU CB C 61 29.610 29.550 0.060 1
1 737 . 18 1 1 A 61 61 GLU N N 61 121.480 119.522 1.958 1
1 738 . 18 1 1 A 62 62 TYR H H 62 7.698 7.732 -0.034 1
1 739 . 18 1 1 A 62 62 TYR HA H 62 3.978 4.208 -0.230 1
1 746 . 18 1 1 A 62 62 TYR C C 62 177.947 177.819 0.128 1
1 747 . 18 1 1 A 62 62 TYR CA C 62 61.600 61.210 0.390 1
1 748 . 18 1 1 A 62 62 TYR CB C 62 37.513 38.202 -0.689 1
1 753 . 18 1 1 A 62 62 TYR N N 62 120.683 121.323 -0.640 1
1 754 . 18 1 1 A 63 63 PHE H H 63 7.982 8.007 -0.025 1
1 755 . 18 1 1 A 63 63 PHE HA H 63 3.932 4.068 -0.136 1
1 763 . 18 1 1 A 63 63 PHE CA C 63 63.262 62.414 0.848 1
1 764 . 18 1 1 A 63 63 PHE CB C 63 39.120 38.144 0.976 1
1 770 . 18 1 1 A 63 63 PHE N N 63 117.730 117.895 -0.165 1
1 771 . 18 1 1 A 64 64 GLU H H 64 8.554 8.293 0.261 1
1 772 . 18 1 1 A 64 64 GLU HA H 64 4.095 4.190 -0.095 1
1 777 . 18 1 1 A 64 64 GLU C C 64 178.921 179.503 -0.582 1
1 778 . 18 1 1 A 64 64 GLU CA C 64 59.322 59.982 -0.660 1
1 779 . 18 1 1 A 64 64 GLU CB C 64 29.670 29.208 0.462 1
1 781 . 18 1 1 A 64 64 GLU N N 64 121.392 120.441 0.951 1
1 782 . 18 1 1 A 65 65 LYS H H 65 7.850 7.819 0.031 1
1 783 . 18 1 1 A 65 65 LYS HA H 65 3.982 4.041 -0.059 1
1 792 . 18 1 1 A 65 65 LYS C C 65 178.374 179.418 -1.044 1
1 793 . 18 1 1 A 65 65 LYS CA C 65 58.638 59.518 -0.880 1
1 794 . 18 1 1 A 65 65 LYS CB C 65 32.110 32.124 -0.014 1
1 798 . 18 1 1 A 65 65 LYS N N 65 118.746 119.747 -1.001 1
1 799 . 18 1 1 A 66 66 LYS H H 66 7.503 7.540 -0.037 1
1 800 . 18 1 1 A 66 66 LYS HA H 66 3.880 3.783 0.097 1
1 809 . 18 1 1 A 66 66 LYS C C 66 177.925 179.848 -1.923 1
1 810 . 18 1 1 A 66 66 LYS CA C 66 58.590 59.975 -1.385 1
1 811 . 18 1 1 A 66 66 LYS CB C 66 32.560 32.028 0.532 1
1 815 . 18 1 1 A 66 66 LYS N N 66 119.241 120.041 -0.800 1
1 816 . 18 1 1 A 67 67 GLU H H 67 7.876 8.065 -0.189 1
1 817 . 18 1 1 A 67 67 GLU HA H 67 4.097 4.024 0.073 1
1 822 . 18 1 1 A 67 67 GLU C C 67 178.016 178.773 -0.757 1
1 823 . 18 1 1 A 67 67 GLU CA C 67 58.280 58.909 -0.629 1
1 824 . 18 1 1 A 67 67 GLU CB C 67 29.802 29.287 0.515 1
1 826 . 18 1 1 A 67 67 GLU N N 67 119.096 120.296 -1.200 1
1 827 . 18 1 1 A 68 68 VAL H H 68 7.719 7.283 0.436 1
1 828 . 18 1 1 A 68 68 VAL HA H 68 3.797 3.733 0.064 1
1 836 . 18 1 1 A 68 68 VAL C C 68 177.668 177.953 -0.285 1
1 837 . 18 1 1 A 68 68 VAL CA C 68 64.600 65.707 -1.107 1
1 838 . 18 1 1 A 68 68 VAL CB C 68 32.050 31.939 0.111 1
1 841 . 18 1 1 A 68 68 VAL N N 68 119.409 121.057 -1.648 1
1 842 . 18 1 1 A 69 69 LEU H H 69 7.911 8.464 -0.553 1
1 843 . 18 1 1 A 69 69 LEU HA H 69 4.127 3.835 0.292 1
1 853 . 18 1 1 A 69 69 LEU C C 69 178.438 178.460 -0.022 1
1 854 . 18 1 1 A 69 69 LEU CA C 69 56.461 58.301 -1.840 1
1 855 . 18 1 1 A 69 69 LEU CB C 69 42.153 41.657 0.496 1
1 859 . 18 1 1 A 69 69 LEU N N 69 122.199 118.752 3.447 1
1 14 . 19 1 1 A 2 2 LYS H H 2 8.383 8.244 0.139 1
1 15 . 19 1 1 A 2 2 LYS HA H 2 4.314 4.273 0.041 1
1 24 . 19 1 1 A 2 2 LYS C C 2 175.001 177.435 -2.434 1
1 25 . 19 1 1 A 2 2 LYS CA C 2 56.188 56.424 -0.236 1
1 26 . 19 1 1 A 2 2 LYS CB C 2 33.481 33.427 0.054 1
1 30 . 19 1 1 A 2 2 LYS N N 2 124.593 122.427 2.166 1
1 31 . 19 1 1 A 3 3 ILE H H 3 9.639 8.598 1.041 1
1 32 . 19 1 1 A 3 3 ILE HA H 3 4.510 4.357 0.153 1
1 42 . 19 1 1 A 3 3 ILE C C 3 176.337 175.859 0.478 1
1 43 . 19 1 1 A 3 3 ILE CA C 3 58.009 61.769 -3.760 1
1 44 . 19 1 1 A 3 3 ILE CB C 3 36.405 37.903 -1.498 1
1 48 . 19 1 1 A 3 3 ILE N N 3 124.160 121.867 2.293 1
1 49 . 19 1 1 A 4 4 THR H H 4 7.637 8.074 -0.437 1
1 50 . 19 1 1 A 4 4 THR HA H 4 4.795 4.944 -0.149 1
1 55 . 19 1 1 A 4 4 THR C C 4 175.818 175.309 0.509 1
1 56 . 19 1 1 A 4 4 THR CA C 4 59.550 59.151 0.399 1
1 57 . 19 1 1 A 4 4 THR CB C 4 71.365 71.780 -0.415 1
1 59 . 19 1 1 A 4 4 THR N N 4 115.631 116.486 -0.855 1
1 60 . 19 1 1 A 5 5 LYS H H 5 9.100 8.945 0.155 1
1 61 . 19 1 1 A 5 5 LYS HA H 5 3.910 4.124 -0.214 1
1 70 . 19 1 1 A 5 5 LYS C C 5 173.504 178.444 -4.940 1
1 71 . 19 1 1 A 5 5 LYS CA C 5 58.730 58.618 0.112 1
1 72 . 19 1 1 A 5 5 LYS CB C 5 32.584 31.985 0.599 1
1 76 . 19 1 1 A 5 5 LYS N N 5 117.257 119.241 -1.984 1
1 77 . 19 1 1 A 6 6 ASP H H 6 8.542 7.825 0.717 1
1 78 . 19 1 1 A 6 6 ASP HA H 6 4.577 4.453 0.124 1
1 81 . 19 1 1 A 6 6 ASP C C 6 176.227 176.602 -0.375 1
1 82 . 19 1 1 A 6 6 ASP CA C 6 53.772 56.311 -2.539 1
1 83 . 19 1 1 A 6 6 ASP CB C 6 40.478 40.681 -0.203 1
1 84 . 19 1 1 A 6 6 ASP N N 6 115.528 120.018 -4.490 1
1 85 . 19 1 1 A 7 7 MET H H 7 7.545 7.616 -0.071 1
1 86 . 19 1 1 A 7 7 MET HA H 7 4.037 4.509 -0.472 1
1 94 . 19 1 1 A 7 7 MET C C 7 174.214 176.387 -2.173 1
1 95 . 19 1 1 A 7 7 MET CA C 7 57.578 55.474 2.104 1
1 96 . 19 1 1 A 7 7 MET CB C 7 33.295 33.039 0.256 1
1 99 . 19 1 1 A 7 7 MET N N 7 119.925 118.820 1.105 1
1 100 . 19 1 1 A 8 8 ILE H H 8 8.721 8.433 0.288 1
1 101 . 19 1 1 A 8 8 ILE HA H 8 4.110 4.057 0.053 1
1 111 . 19 1 1 A 8 8 ILE C C 8 178.731 177.045 1.686 1
1 112 . 19 1 1 A 8 8 ILE CA C 8 59.060 61.970 -2.910 1
1 113 . 19 1 1 A 8 8 ILE CB C 8 36.472 37.849 -1.377 1
1 117 . 19 1 1 A 8 8 ILE N N 8 121.085 123.857 -2.772 1
1 118 . 19 1 1 A 9 9 ILE H H 9 8.522 8.348 0.174 1
1 119 . 19 1 1 A 9 9 ILE HA H 9 3.238 3.609 -0.371 1
1 129 . 19 1 1 A 9 9 ILE C C 9 178.227 177.505 0.722 1
1 130 . 19 1 1 A 9 9 ILE CA C 9 67.720 64.768 2.952 1
1 131 . 19 1 1 A 9 9 ILE CB C 9 37.078 37.165 -0.087 1
1 135 . 19 1 1 A 9 9 ILE N N 9 128.907 124.856 4.051 1
1 136 . 19 1 1 A 10 10 ALA H H 10 8.578 8.059 0.519 1
1 137 . 19 1 1 A 10 10 ALA HA H 10 3.837 3.982 -0.145 1
1 141 . 19 1 1 A 10 10 ALA C C 10 179.790 179.207 0.583 1
1 142 . 19 1 1 A 10 10 ALA CA C 10 55.447 55.349 0.098 1
1 143 . 19 1 1 A 10 10 ALA CB C 10 19.000 17.936 1.064 1
1 144 . 19 1 1 A 10 10 ALA N N 10 118.416 121.899 -3.483 1
1 145 . 19 1 1 A 11 11 ASP H H 11 7.100 8.137 -1.037 1
1 146 . 19 1 1 A 11 11 ASP HA H 11 4.380 4.380 0.000 1
1 149 . 19 1 1 A 11 11 ASP C C 11 178.903 178.610 0.293 1
1 150 . 19 1 1 A 11 11 ASP CA C 11 56.979 57.500 -0.521 1
1 151 . 19 1 1 A 11 11 ASP CB C 11 39.520 41.403 -1.883 1
1 152 . 19 1 1 A 11 11 ASP N N 11 116.224 118.653 -2.429 1
1 153 . 19 1 1 A 12 12 VAL H H 12 7.723 8.183 -0.460 1
1 154 . 19 1 1 A 12 12 VAL HA H 12 3.862 3.745 0.117 1
1 162 . 19 1 1 A 12 12 VAL C C 12 177.664 178.305 -0.641 1
1 163 . 19 1 1 A 12 12 VAL CA C 12 66.656 66.796 -0.140 1
1 164 . 19 1 1 A 12 12 VAL CB C 12 31.980 31.614 0.366 1
1 167 . 19 1 1 A 12 12 VAL N N 12 123.054 119.695 3.359 1
1 168 . 19 1 1 A 13 13 LEU H H 13 7.995 8.252 -0.257 1
1 169 . 19 1 1 A 13 13 LEU HA H 13 3.945 4.126 -0.181 1
1 179 . 19 1 1 A 13 13 LEU C C 13 175.458 179.762 -4.304 1
1 180 . 19 1 1 A 13 13 LEU CA C 13 57.259 57.926 -0.667 1
1 181 . 19 1 1 A 13 13 LEU CB C 13 42.140 40.649 1.491 1
1 185 . 19 1 1 A 13 13 LEU N N 13 118.291 119.957 -1.666 1
1 186 . 19 1 1 A 14 14 GLN H H 14 7.580 8.188 -0.608 1
1 187 . 19 1 1 A 14 14 GLN HA H 14 3.988 4.106 -0.118 1
1 194 . 19 1 1 A 14 14 GLN C C 14 178.311 179.103 -0.792 1
1 195 . 19 1 1 A 14 14 GLN CA C 14 57.659 59.091 -1.432 1
1 196 . 19 1 1 A 14 14 GLN CB C 14 28.700 28.242 0.458 1
1 198 . 19 1 1 A 14 14 GLN N N 14 114.621 118.355 -3.734 1
1 200 . 19 1 1 A 15 15 MET H H 15 7.675 7.532 0.143 1
1 201 . 19 1 1 A 15 15 MET HA H 15 4.069 4.413 -0.344 1
1 209 . 19 1 1 A 15 15 MET C C 15 177.780 176.450 1.330 1
1 210 . 19 1 1 A 15 15 MET CA C 15 59.420 58.661 0.759 1
1 211 . 19 1 1 A 15 15 MET CB C 15 33.423 33.637 -0.214 1
1 214 . 19 1 1 A 15 15 MET N N 15 119.587 118.108 1.479 1
1 215 . 19 1 1 A 16 16 ASP H H 16 7.520 8.075 -0.555 1
1 216 . 19 1 1 A 16 16 ASP HA H 16 4.613 4.991 -0.378 1
1 219 . 19 1 1 A 16 16 ASP C C 16 175.706 175.799 -0.093 1
1 220 . 19 1 1 A 16 16 ASP CA C 16 55.090 54.091 0.999 1
1 221 . 19 1 1 A 16 16 ASP CB C 16 43.460 43.330 0.130 1
1 222 . 19 1 1 A 16 16 ASP N N 16 113.838 116.273 -2.435 1
1 223 . 19 1 1 A 17 17 ARG H H 17 9.352 8.877 0.475 1
1 224 . 19 1 1 A 17 17 ARG HA H 17 4.253 4.237 0.016 1
1 231 . 19 1 1 A 17 17 ARG C C 17 178.889 177.843 1.046 1
1 232 . 19 1 1 A 17 17 ARG CA C 17 58.566 58.525 0.041 1
1 233 . 19 1 1 A 17 17 ARG CB C 17 29.280 29.986 -0.706 1
1 236 . 19 1 1 A 17 17 ARG N N 17 131.098 125.031 6.067 1
1 237 . 19 1 1 A 18 18 GLY H H 18 9.534 8.288 1.246 1
1 238 . 19 1 1 A 18 18 GLY HA2 H 18 3.857 3.906 -0.049 1
1 239 . 19 1 1 A 18 18 GLY HA3 H 18 3.946 3.977 -0.031 1
1 240 . 19 1 1 A 18 18 GLY C C 18 173.747 175.386 -1.639 1
1 241 . 19 1 1 A 18 18 GLY CA C 18 45.820 45.997 -0.177 1
1 242 . 19 1 1 A 18 18 GLY N N 18 111.218 108.281 2.937 1
1 243 . 19 1 1 A 19 19 THR H H 19 7.486 7.731 -0.245 1
1 244 . 19 1 1 A 19 19 THR HA H 19 3.293 3.616 -0.323 1
1 249 . 19 1 1 A 19 19 THR C C 19 177.067 176.620 0.447 1
1 250 . 19 1 1 A 19 19 THR CA C 19 63.090 64.047 -0.957 1
1 251 . 19 1 1 A 19 19 THR CB C 19 69.960 68.383 1.577 1
1 253 . 19 1 1 A 19 19 THR N N 19 106.889 111.759 -4.870 1
1 254 . 19 1 1 A 20 20 ALA H H 20 7.648 8.007 -0.359 1
1 255 . 19 1 1 A 20 20 ALA HA H 20 4.246 4.300 -0.054 1
1 259 . 19 1 1 A 20 20 ALA CA C 20 57.780 57.116 0.664 1
1 260 . 19 1 1 A 20 20 ALA CB C 20 15.960 17.026 -1.066 1
1 261 . 19 1 1 A 20 20 ALA N N 20 125.258 125.305 -0.047 1
1 262 . 19 1 1 A 21 21 PRO HA H 21 4.169 4.327 -0.158 1
1 269 . 19 1 1 A 21 21 PRO C C 21 177.812 178.953 -1.141 1
1 270 . 19 1 1 A 21 21 PRO CA C 21 65.630 65.375 0.255 1
1 271 . 19 1 1 A 21 21 PRO CB C 21 31.220 31.012 0.208 1
1 274 . 19 1 1 A 22 22 ILE H H 22 7.120 6.944 0.176 1
1 275 . 19 1 1 A 22 22 ILE HA H 22 3.622 3.725 -0.103 1
1 285 . 19 1 1 A 22 22 ILE C C 22 179.561 177.888 1.673 1
1 286 . 19 1 1 A 22 22 ILE CA C 22 64.640 63.928 0.712 1
1 287 . 19 1 1 A 22 22 ILE CB C 22 37.200 37.318 -0.118 1
1 291 . 19 1 1 A 22 22 ILE N N 22 117.089 117.023 0.066 1
1 292 . 19 1 1 A 23 23 PHE H H 23 7.411 7.748 -0.337 1
1 293 . 19 1 1 A 23 23 PHE HA H 23 3.919 4.276 -0.357 1
1 301 . 19 1 1 A 23 23 PHE C C 23 178.486 178.206 0.280 1
1 302 . 19 1 1 A 23 23 PHE CA C 23 63.450 60.844 2.606 1
1 303 . 19 1 1 A 23 23 PHE CB C 23 38.740 38.686 0.054 1
1 309 . 19 1 1 A 23 23 PHE N N 23 118.753 118.652 0.101 1
1 310 . 19 1 1 A 24 24 ILE H H 24 8.077 8.329 -0.252 1
1 311 . 19 1 1 A 24 24 ILE HA H 24 3.503 3.830 -0.327 1
1 321 . 19 1 1 A 24 24 ILE C C 24 180.431 178.174 2.257 1
1 322 . 19 1 1 A 24 24 ILE CA C 24 64.997 65.788 -0.791 1
1 323 . 19 1 1 A 24 24 ILE CB C 24 38.110 37.963 0.147 1
1 327 . 19 1 1 A 24 24 ILE N N 24 120.410 119.899 0.511 1
1 328 . 19 1 1 A 25 25 ASN H H 25 8.971 8.463 0.508 1
1 329 . 19 1 1 A 25 25 ASN HA H 25 4.453 4.475 -0.022 1
1 334 . 19 1 1 A 25 25 ASN C C 25 176.784 176.507 0.277 1
1 335 . 19 1 1 A 25 25 ASN CA C 25 55.321 56.287 -0.966 1
1 336 . 19 1 1 A 25 25 ASN CB C 25 37.880 39.319 -1.439 1
1 337 . 19 1 1 A 25 25 ASN N N 25 120.191 119.566 0.625 1
1 339 . 19 1 1 A 26 26 ASN H H 26 7.315 7.672 -0.357 1
1 340 . 19 1 1 A 26 26 ASN HA H 26 4.601 4.756 -0.155 1
1 345 . 19 1 1 A 26 26 ASN C C 26 173.732 175.722 -1.990 1
1 346 . 19 1 1 A 26 26 ASN CA C 26 54.840 52.995 1.845 1
1 347 . 19 1 1 A 26 26 ASN CB C 26 40.890 39.154 1.736 1
1 348 . 19 1 1 A 26 26 ASN N N 26 116.500 115.303 1.197 1
1 350 . 19 1 1 A 27 27 GLY H H 27 7.880 8.018 -0.138 1
1 351 . 19 1 1 A 27 27 GLY HA2 H 27 4.305 3.774 0.531 1
1 352 . 19 1 1 A 27 27 GLY HA3 H 27 3.570 3.969 -0.399 1
1 353 . 19 1 1 A 27 27 GLY CA C 27 45.308 44.821 0.487 1
1 354 . 19 1 1 A 27 27 GLY N N 27 104.918 105.870 -0.952 1
1 355 . 19 1 1 A 28 28 MET H H 28 7.948 7.915 0.033 1
1 356 . 19 1 1 A 28 28 MET HA H 28 4.190 4.502 -0.312 1
1 364 . 19 1 1 A 28 28 MET C C 28 174.147 175.162 -1.015 1
1 365 . 19 1 1 A 28 28 MET CA C 28 54.335 56.241 -1.906 1
1 366 . 19 1 1 A 28 28 MET CB C 28 31.978 33.089 -1.111 1
1 369 . 19 1 1 A 28 28 MET N N 28 120.940 120.501 0.439 1
1 370 . 19 1 1 A 29 29 HIS H H 29 7.994 8.727 -0.733 1
1 371 . 19 1 1 A 29 29 HIS HA H 29 4.592 5.168 -0.576 1
1 375 . 19 1 1 A 29 29 HIS C C 29 177.664 173.987 3.677 1
1 376 . 19 1 1 A 29 29 HIS CA C 29 56.178 54.792 1.386 1
1 377 . 19 1 1 A 29 29 HIS CB C 29 30.190 33.594 -3.404 1
1 378 . 19 1 1 A 29 29 HIS N N 29 121.779 123.006 -1.227 1
1 379 . 19 1 1 A 30 30 CYS H H 30 7.867 8.238 -0.371 1
1 380 . 19 1 1 A 30 30 CYS HA H 30 4.555 4.278 0.277 1
1 383 . 19 1 1 A 30 30 CYS C C 30 174.265 174.188 0.077 1
1 384 . 19 1 1 A 30 30 CYS CA C 30 57.398 59.328 -1.930 1
1 385 . 19 1 1 A 30 30 CYS CB C 30 28.234 27.273 0.961 1
1 386 . 19 1 1 A 30 30 CYS N N 30 116.200 123.408 -7.208 1
1 387 . 19 1 1 A 31 31 LEU H H 31 7.845 8.355 -0.510 1
1 388 . 19 1 1 A 31 31 LEU HA H 31 4.045 4.836 -0.791 1
1 398 . 19 1 1 A 31 31 LEU C C 31 177.285 177.126 0.159 1
1 399 . 19 1 1 A 31 31 LEU CA C 31 56.415 53.834 2.581 1
1 400 . 19 1 1 A 31 31 LEU CB C 31 41.172 45.586 -4.414 1
1 404 . 19 1 1 A 31 31 LEU N N 31 122.518 124.490 -1.972 1
1 405 . 19 1 1 A 32 32 GLY H H 32 8.292 8.920 -0.628 1
1 406 . 19 1 1 A 32 32 GLY HA2 H 32 3.852 3.812 0.040 1
1 407 . 19 1 1 A 32 32 GLY HA3 H 32 3.852 3.823 0.029 1
1 408 . 19 1 1 A 32 32 GLY C C 32 173.868 175.156 -1.288 1
1 409 . 19 1 1 A 32 32 GLY CA C 32 45.182 47.813 -2.631 1
1 410 . 19 1 1 A 32 32 GLY N N 32 108.193 112.524 -4.331 1
1 411 . 19 1 1 A 33 33 CYS H H 33 7.747 7.963 -0.216 1
1 412 . 19 1 1 A 33 33 CYS HA H 33 4.826 4.456 0.370 1
1 415 . 19 1 1 A 33 33 CYS CA C 33 56.005 58.179 -2.174 1
1 416 . 19 1 1 A 33 33 CYS CB C 33 27.330 27.360 -0.030 1
1 417 . 19 1 1 A 33 33 CYS N N 33 120.574 119.667 0.907 1
1 418 . 19 1 1 A 34 34 PRO HA H 34 4.179 4.252 -0.073 1
1 425 . 19 1 1 A 34 34 PRO C C 34 178.582 177.724 0.858 1
1 426 . 19 1 1 A 34 34 PRO CA C 34 65.610 64.688 0.922 1
1 427 . 19 1 1 A 34 34 PRO CB C 34 32.071 31.869 0.202 1
1 430 . 19 1 1 A 35 35 SER H H 35 8.315 8.387 -0.072 1
1 431 . 19 1 1 A 35 35 SER HA H 35 4.209 4.151 0.058 1
1 434 . 19 1 1 A 35 35 SER C C 35 177.910 176.562 1.348 1
1 435 . 19 1 1 A 35 35 SER CA C 35 60.704 61.406 -0.702 1
1 436 . 19 1 1 A 35 35 SER CB C 35 62.590 62.447 0.143 1
1 437 . 19 1 1 A 35 35 SER N N 35 112.899 113.324 -0.425 1
1 438 . 19 1 1 A 36 36 SER H H 36 7.903 7.923 -0.020 1
1 439 . 19 1 1 A 36 36 SER HA H 36 4.432 4.193 0.239 1
1 442 . 19 1 1 A 36 36 SER C C 36 175.084 176.941 -1.857 1
1 443 . 19 1 1 A 36 36 SER CA C 36 60.336 61.261 -0.925 1
1 444 . 19 1 1 A 36 36 SER CB C 36 63.920 62.113 1.807 1
1 445 . 19 1 1 A 36 36 SER N N 36 117.747 115.883 1.864 1
1 446 . 19 1 1 A 37 37 MET H H 37 7.646 7.844 -0.198 1
1 447 . 19 1 1 A 37 37 MET HA H 37 4.114 4.258 -0.144 1
1 455 . 19 1 1 A 37 37 MET C C 37 175.617 178.450 -2.833 1
1 456 . 19 1 1 A 37 37 MET CA C 37 56.922 57.554 -0.632 1
1 457 . 19 1 1 A 37 37 MET CB C 37 32.891 32.834 0.057 1
1 460 . 19 1 1 A 37 37 MET N N 37 117.790 120.045 -2.255 1
1 461 . 19 1 1 A 38 38 GLY H H 38 7.742 8.305 -0.563 1
1 462 . 19 1 1 A 38 38 GLY HA2 H 38 4.156 3.961 0.195 1
1 463 . 19 1 1 A 38 38 GLY HA3 H 38 3.623 3.964 -0.341 1
1 464 . 19 1 1 A 38 38 GLY C C 38 174.147 174.329 -0.182 1
1 465 . 19 1 1 A 38 38 GLY CA C 38 45.260 45.807 -0.547 1
1 466 . 19 1 1 A 38 38 GLY N N 38 104.897 108.102 -3.205 1
1 467 . 19 1 1 A 39 39 GLU H H 39 7.288 7.634 -0.346 1
1 468 . 19 1 1 A 39 39 GLU HA H 39 4.539 4.726 -0.187 1
1 473 . 19 1 1 A 39 39 GLU C C 39 173.845 175.906 -2.061 1
1 474 . 19 1 1 A 39 39 GLU CA C 39 54.885 55.096 -0.211 1
1 475 . 19 1 1 A 39 39 GLU CB C 39 31.980 30.820 1.160 1
1 477 . 19 1 1 A 39 39 GLU N N 39 119.469 120.488 -1.019 1
1 478 . 19 1 1 A 40 40 SER H H 40 9.174 8.683 0.491 1
1 479 . 19 1 1 A 40 40 SER HA H 40 4.847 4.804 0.043 1
1 482 . 19 1 1 A 40 40 SER C C 40 175.082 176.095 -1.013 1
1 483 . 19 1 1 A 40 40 SER CA C 40 56.757 57.522 -0.765 1
1 484 . 19 1 1 A 40 40 SER CB C 40 65.397 65.475 -0.078 1
1 485 . 19 1 1 A 40 40 SER N N 40 115.819 114.263 1.556 1
1 486 . 19 1 1 A 41 41 ILE H H 41 8.739 8.884 -0.145 1
1 487 . 19 1 1 A 41 41 ILE HA H 41 3.512 3.756 -0.244 1
1 497 . 19 1 1 A 41 41 ILE C C 41 178.832 177.692 1.140 1
1 498 . 19 1 1 A 41 41 ILE CA C 41 67.190 65.785 1.405 1
1 499 . 19 1 1 A 41 41 ILE CB C 41 38.460 38.016 0.444 1
1 503 . 19 1 1 A 41 41 ILE N N 41 121.236 122.413 -1.177 1
1 504 . 19 1 1 A 42 42 GLU H H 42 8.932 8.535 0.397 1
1 505 . 19 1 1 A 42 42 GLU HA H 42 3.826 4.057 -0.231 1
1 510 . 19 1 1 A 42 42 GLU C C 42 178.134 178.458 -0.324 1
1 511 . 19 1 1 A 42 42 GLU CA C 42 59.860 59.209 0.651 1
1 512 . 19 1 1 A 42 42 GLU CB C 42 29.286 29.294 -0.008 1
1 514 . 19 1 1 A 42 42 GLU N N 42 117.512 120.281 -2.769 1
1 515 . 19 1 1 A 43 43 ASP H H 43 8.090 8.028 0.062 1
1 516 . 19 1 1 A 43 43 ASP HA H 43 4.428 4.333 0.095 1
1 519 . 19 1 1 A 43 43 ASP C C 43 179.021 178.115 0.906 1
1 520 . 19 1 1 A 43 43 ASP CA C 43 57.460 57.911 -0.451 1
1 521 . 19 1 1 A 43 43 ASP CB C 43 39.485 41.511 -2.026 1
1 522 . 19 1 1 A 43 43 ASP N N 43 122.750 120.475 2.275 1
1 523 . 19 1 1 A 44 44 ALA H H 44 8.807 8.054 0.753 1
1 524 . 19 1 1 A 44 44 ALA HA H 44 4.242 4.061 0.181 1
1 528 . 19 1 1 A 44 44 ALA C C 44 181.423 180.113 1.310 1
1 529 . 19 1 1 A 44 44 ALA CA C 44 55.260 55.228 0.032 1
1 530 . 19 1 1 A 44 44 ALA CB C 44 19.775 17.838 1.937 1
1 531 . 19 1 1 A 44 44 ALA N N 44 123.434 120.863 2.571 1
1 532 . 19 1 1 A 45 45 CYS H H 45 8.663 8.311 0.352 1
1 533 . 19 1 1 A 45 45 CYS HA H 45 4.039 4.159 -0.120 1
1 536 . 19 1 1 A 45 45 CYS C C 45 176.954 177.071 -0.117 1
1 537 . 19 1 1 A 45 45 CYS CA C 45 65.300 62.898 2.402 1
1 538 . 19 1 1 A 45 45 CYS CB C 45 26.940 26.199 0.741 1
1 539 . 19 1 1 A 45 45 CYS N N 45 115.424 116.193 -0.769 1
1 540 . 19 1 1 A 46 46 ALA H H 46 7.844 8.055 -0.211 1
1 541 . 19 1 1 A 46 46 ALA HA H 46 4.274 4.063 0.211 1
1 545 . 19 1 1 A 46 46 ALA C C 46 180.730 180.357 0.373 1
1 546 . 19 1 1 A 46 46 ALA CA C 46 55.127 55.278 -0.151 1
1 547 . 19 1 1 A 46 46 ALA CB C 46 18.020 18.159 -0.139 1
1 548 . 19 1 1 A 46 46 ALA N N 46 122.366 122.655 -0.289 1
1 549 . 19 1 1 A 47 47 VAL H H 47 7.503 7.705 -0.202 1
1 550 . 19 1 1 A 47 47 VAL HA H 47 3.690 3.701 -0.011 1
1 558 . 19 1 1 A 47 47 VAL C C 47 177.652 177.632 0.020 1
1 559 . 19 1 1 A 47 47 VAL CA C 47 65.530 66.410 -0.880 1
1 560 . 19 1 1 A 47 47 VAL CB C 47 32.140 31.734 0.406 1
1 563 . 19 1 1 A 47 47 VAL N N 47 116.850 119.141 -2.291 1
1 564 . 19 1 1 A 48 48 HIS H H 48 7.496 7.784 -0.288 1
1 565 . 19 1 1 A 48 48 HIS HA H 48 4.629 4.563 0.066 1
1 569 . 19 1 1 A 48 48 HIS C C 48 174.865 175.492 -0.627 1
1 570 . 19 1 1 A 48 48 HIS CA C 48 56.985 57.749 -0.764 1
1 571 . 19 1 1 A 48 48 HIS CB C 48 31.033 30.460 0.573 1
1 573 . 19 1 1 A 48 48 HIS N N 48 114.271 119.467 -5.196 1
1 574 . 19 1 1 A 49 49 GLY H H 49 7.846 8.297 -0.451 1
1 575 . 19 1 1 A 49 49 GLY HA2 H 49 4.002 3.908 0.094 1
1 576 . 19 1 1 A 49 49 GLY HA3 H 49 4.002 3.911 0.091 1
1 577 . 19 1 1 A 49 49 GLY C C 49 174.536 174.725 -0.189 1
1 578 . 19 1 1 A 49 49 GLY CA C 49 47.189 46.719 0.470 1
1 579 . 19 1 1 A 49 49 GLY N N 49 110.669 107.759 2.910 1
1 580 . 19 1 1 A 50 50 ILE H H 50 8.126 8.422 -0.296 1
1 581 . 19 1 1 A 50 50 ILE HA H 50 4.295 4.540 -0.245 1
1 591 . 19 1 1 A 50 50 ILE C C 50 175.038 174.935 0.103 1
1 592 . 19 1 1 A 50 50 ILE CA C 50 59.759 60.233 -0.474 1
1 593 . 19 1 1 A 50 50 ILE CB C 50 41.222 39.326 1.896 1
1 597 . 19 1 1 A 50 50 ILE N N 50 119.905 120.378 -0.473 1
1 598 . 19 1 1 A 51 51 ASP H H 51 8.497 8.545 -0.048 1
1 599 . 19 1 1 A 51 51 ASP HA H 51 4.523 4.754 -0.231 1
1 602 . 19 1 1 A 51 51 ASP C C 51 175.978 176.758 -0.780 1
1 603 . 19 1 1 A 51 51 ASP CA C 51 54.100 53.223 0.877 1
1 604 . 19 1 1 A 51 51 ASP CB C 51 40.990 40.428 0.562 1
1 605 . 19 1 1 A 51 51 ASP N N 51 124.951 125.641 -0.690 1
1 606 . 19 1 1 A 52 52 ALA H H 52 8.791 8.930 -0.139 1
1 607 . 19 1 1 A 52 52 ALA HA H 52 4.329 4.043 0.286 1
1 611 . 19 1 1 A 52 52 ALA CA C 52 55.070 55.286 -0.216 1
1 612 . 19 1 1 A 52 52 ALA CB C 52 19.480 18.187 1.293 1
1 613 . 19 1 1 A 52 52 ALA N N 52 131.766 129.268 2.498 1
1 614 . 19 1 1 A 53 53 ASP H H 53 8.082 8.235 -0.153 1
1 615 . 19 1 1 A 53 53 ASP HA H 53 4.321 4.342 -0.021 1
1 618 . 19 1 1 A 53 53 ASP CA C 53 57.500 58.557 -1.057 1
1 619 . 19 1 1 A 53 53 ASP CB C 53 39.940 42.178 -2.238 1
1 620 . 19 1 1 A 53 53 ASP N N 53 116.960 118.666 -1.706 1
1 621 . 19 1 1 A 54 54 LYS H H 54 7.762 7.629 0.133 1
1 622 . 19 1 1 A 54 54 LYS HA H 54 3.958 4.067 -0.109 1
1 631 . 19 1 1 A 54 54 LYS C C 54 177.748 178.907 -1.159 1
1 632 . 19 1 1 A 54 54 LYS CA C 54 59.355 59.420 -0.065 1
1 633 . 19 1 1 A 54 54 LYS CB C 54 32.920 32.159 0.761 1
1 637 . 19 1 1 A 54 54 LYS N N 54 123.420 118.558 4.862 1
1 638 . 19 1 1 A 55 55 LEU H H 55 7.337 7.835 -0.498 1
1 639 . 19 1 1 A 55 55 LEU HA H 55 3.822 3.985 -0.163 1
1 649 . 19 1 1 A 55 55 LEU C C 55 177.966 178.363 -0.397 1
1 650 . 19 1 1 A 55 55 LEU CA C 55 58.258 58.367 -0.109 1
1 651 . 19 1 1 A 55 55 LEU CB C 55 41.908 41.684 0.224 1
1 655 . 19 1 1 A 55 55 LEU N N 55 119.522 121.755 -2.233 1
1 656 . 19 1 1 A 56 56 VAL H H 56 8.503 8.523 -0.020 1
1 657 . 19 1 1 A 56 56 VAL HA H 56 3.378 3.439 -0.061 1
1 665 . 19 1 1 A 56 56 VAL C C 56 177.576 177.873 -0.297 1
1 666 . 19 1 1 A 56 56 VAL CA C 56 67.460 66.699 0.761 1
1 667 . 19 1 1 A 56 56 VAL CB C 56 31.560 31.323 0.237 1
1 670 . 19 1 1 A 56 56 VAL N N 56 117.548 119.264 -1.716 1
1 671 . 19 1 1 A 57 57 LYS H H 57 8.003 7.801 0.202 1
1 672 . 19 1 1 A 57 57 LYS HA H 57 4.200 3.921 0.279 1
1 681 . 19 1 1 A 57 57 LYS C C 57 179.196 179.867 -0.671 1
1 682 . 19 1 1 A 57 57 LYS CA C 57 60.130 60.265 -0.135 1
1 683 . 19 1 1 A 57 57 LYS CB C 57 32.383 31.960 0.423 1
1 687 . 19 1 1 A 57 57 LYS N N 57 122.289 118.822 3.467 1
1 688 . 19 1 1 A 58 58 GLU H H 58 8.035 8.312 -0.277 1
1 689 . 19 1 1 A 58 58 GLU HA H 58 4.010 4.015 -0.005 1
1 694 . 19 1 1 A 58 58 GLU CA C 58 59.975 58.974 1.001 1
1 695 . 19 1 1 A 58 58 GLU CB C 58 29.430 29.483 -0.053 1
1 697 . 19 1 1 A 58 58 GLU N N 58 119.482 120.642 -1.160 1
1 698 . 19 1 1 A 59 59 LEU H H 59 8.560 8.303 0.257 1
1 699 . 19 1 1 A 59 59 LEU HA H 59 3.998 3.856 0.142 1
1 709 . 19 1 1 A 59 59 LEU C C 59 178.239 179.173 -0.934 1
1 710 . 19 1 1 A 59 59 LEU CA C 59 58.200 57.832 0.368 1
1 711 . 19 1 1 A 59 59 LEU CB C 59 42.695 41.686 1.009 1
1 715 . 19 1 1 A 59 59 LEU N N 59 121.725 120.582 1.143 1
1 716 . 19 1 1 A 60 60 ASN H H 60 8.684 8.860 -0.176 1
1 717 . 19 1 1 A 60 60 ASN HA H 60 4.806 4.629 0.177 1
1 722 . 19 1 1 A 60 60 ASN C C 60 178.495 178.226 0.269 1
1 723 . 19 1 1 A 60 60 ASN CA C 60 57.895 56.629 1.266 1
1 724 . 19 1 1 A 60 60 ASN CB C 60 38.528 38.251 0.277 1
1 725 . 19 1 1 A 60 60 ASN N N 60 117.410 117.562 -0.152 1
1 727 . 19 1 1 A 61 61 GLU H H 61 8.602 8.701 -0.099 1
1 728 . 19 1 1 A 61 61 GLU HA H 61 4.040 4.080 -0.040 1
1 733 . 19 1 1 A 61 61 GLU C C 61 178.325 178.627 -0.302 1
1 734 . 19 1 1 A 61 61 GLU CA C 61 59.814 59.398 0.416 1
1 735 . 19 1 1 A 61 61 GLU CB C 61 29.610 29.520 0.090 1
1 737 . 19 1 1 A 61 61 GLU N N 61 121.480 119.463 2.017 1
1 738 . 19 1 1 A 62 62 TYR H H 62 7.698 8.057 -0.359 1
1 739 . 19 1 1 A 62 62 TYR HA H 62 3.978 4.200 -0.222 1
1 746 . 19 1 1 A 62 62 TYR C C 62 177.947 177.842 0.105 1
1 747 . 19 1 1 A 62 62 TYR CA C 62 61.600 61.202 0.398 1
1 748 . 19 1 1 A 62 62 TYR CB C 62 37.513 38.190 -0.677 1
1 753 . 19 1 1 A 62 62 TYR N N 62 120.683 121.363 -0.680 1
1 754 . 19 1 1 A 63 63 PHE H H 63 7.982 8.035 -0.053 1
1 755 . 19 1 1 A 63 63 PHE HA H 63 3.932 4.001 -0.069 1
1 763 . 19 1 1 A 63 63 PHE CA C 63 63.262 62.321 0.941 1
1 764 . 19 1 1 A 63 63 PHE CB C 63 39.120 38.220 0.900 1
1 770 . 19 1 1 A 63 63 PHE N N 63 117.730 118.094 -0.364 1
1 771 . 19 1 1 A 64 64 GLU H H 64 8.554 8.614 -0.060 1
1 772 . 19 1 1 A 64 64 GLU HA H 64 4.095 4.078 0.017 1
1 777 . 19 1 1 A 64 64 GLU C C 64 178.921 179.405 -0.484 1
1 778 . 19 1 1 A 64 64 GLU CA C 64 59.322 59.643 -0.321 1
1 779 . 19 1 1 A 64 64 GLU CB C 64 29.670 29.089 0.581 1
1 781 . 19 1 1 A 64 64 GLU N N 64 121.392 120.270 1.122 1
1 782 . 19 1 1 A 65 65 LYS H H 65 7.850 7.889 -0.039 1
1 783 . 19 1 1 A 65 65 LYS HA H 65 3.982 4.047 -0.065 1
1 792 . 19 1 1 A 65 65 LYS C C 65 178.374 179.271 -0.897 1
1 793 . 19 1 1 A 65 65 LYS CA C 65 58.638 59.389 -0.751 1
1 794 . 19 1 1 A 65 65 LYS CB C 65 32.110 31.980 0.130 1
1 798 . 19 1 1 A 65 65 LYS N N 65 118.746 120.178 -1.432 1
1 799 . 19 1 1 A 66 66 LYS H H 66 7.503 7.391 0.112 1
1 800 . 19 1 1 A 66 66 LYS HA H 66 3.880 3.934 -0.054 1
1 809 . 19 1 1 A 66 66 LYS C C 66 177.925 179.881 -1.956 1
1 810 . 19 1 1 A 66 66 LYS CA C 66 58.590 59.815 -1.225 1
1 811 . 19 1 1 A 66 66 LYS CB C 66 32.560 32.081 0.479 1
1 815 . 19 1 1 A 66 66 LYS N N 66 119.241 119.781 -0.540 1
1 816 . 19 1 1 A 67 67 GLU H H 67 7.876 8.688 -0.812 1
1 817 . 19 1 1 A 67 67 GLU HA H 67 4.097 4.039 0.058 1
1 822 . 19 1 1 A 67 67 GLU C C 67 178.016 179.117 -1.101 1
1 823 . 19 1 1 A 67 67 GLU CA C 67 58.280 59.031 -0.751 1
1 824 . 19 1 1 A 67 67 GLU CB C 67 29.802 29.365 0.437 1
1 826 . 19 1 1 A 67 67 GLU N N 67 119.096 120.638 -1.542 1
1 827 . 19 1 1 A 68 68 VAL H H 68 7.719 7.347 0.372 1
1 828 . 19 1 1 A 68 68 VAL HA H 68 3.797 3.638 0.159 1
1 836 . 19 1 1 A 68 68 VAL C C 68 177.668 178.022 -0.354 1
1 837 . 19 1 1 A 68 68 VAL CA C 68 64.600 66.083 -1.483 1
1 838 . 19 1 1 A 68 68 VAL CB C 68 32.050 31.708 0.342 1
1 841 . 19 1 1 A 68 68 VAL N N 68 119.409 121.206 -1.797 1
1 842 . 19 1 1 A 69 69 LEU H H 69 7.911 7.976 -0.065 1
1 843 . 19 1 1 A 69 69 LEU HA H 69 4.127 3.897 0.230 1
1 853 . 19 1 1 A 69 69 LEU C C 69 178.438 178.666 -0.228 1
1 854 . 19 1 1 A 69 69 LEU CA C 69 56.461 58.326 -1.865 1
1 855 . 19 1 1 A 69 69 LEU CB C 69 42.153 41.515 0.638 1
1 859 . 19 1 1 A 69 69 LEU N N 69 122.199 119.378 2.821 1
1 14 . 20 1 1 A 2 2 LYS H H 2 8.383 8.425 -0.042 1
1 15 . 20 1 1 A 2 2 LYS HA H 2 4.314 4.488 -0.174 1
1 24 . 20 1 1 A 2 2 LYS C C 2 175.001 176.335 -1.334 1
1 25 . 20 1 1 A 2 2 LYS CA C 2 56.188 56.588 -0.400 1
1 26 . 20 1 1 A 2 2 LYS CB C 2 33.481 32.721 0.760 1
1 30 . 20 1 1 A 2 2 LYS N N 2 124.593 125.922 -1.329 1
1 31 . 20 1 1 A 3 3 ILE H H 3 9.639 8.349 1.290 1
1 32 . 20 1 1 A 3 3 ILE HA H 3 4.510 4.219 0.291 1
1 42 . 20 1 1 A 3 3 ILE C C 3 176.337 175.673 0.664 1
1 43 . 20 1 1 A 3 3 ILE CA C 3 58.009 62.104 -4.095 1
1 44 . 20 1 1 A 3 3 ILE CB C 3 36.405 37.595 -1.190 1
1 48 . 20 1 1 A 3 3 ILE N N 3 124.160 127.978 -3.818 1
1 49 . 20 1 1 A 4 4 THR H H 4 7.637 8.244 -0.607 1
1 50 . 20 1 1 A 4 4 THR HA H 4 4.795 4.892 -0.097 1
1 55 . 20 1 1 A 4 4 THR C C 4 175.818 175.006 0.812 1
1 56 . 20 1 1 A 4 4 THR CA C 4 59.550 59.299 0.251 1
1 57 . 20 1 1 A 4 4 THR CB C 4 71.365 71.681 -0.316 1
1 59 . 20 1 1 A 4 4 THR N N 4 115.631 117.223 -1.592 1
1 60 . 20 1 1 A 5 5 LYS H H 5 9.100 9.012 0.088 1
1 61 . 20 1 1 A 5 5 LYS HA H 5 3.910 4.127 -0.217 1
1 70 . 20 1 1 A 5 5 LYS C C 5 173.504 178.395 -4.891 1
1 71 . 20 1 1 A 5 5 LYS CA C 5 58.730 58.508 0.222 1
1 72 . 20 1 1 A 5 5 LYS CB C 5 32.584 31.916 0.668 1
1 76 . 20 1 1 A 5 5 LYS N N 5 117.257 119.255 -1.998 1
1 77 . 20 1 1 A 6 6 ASP H H 6 8.542 7.374 1.168 1
1 78 . 20 1 1 A 6 6 ASP HA H 6 4.577 4.700 -0.123 1
1 81 . 20 1 1 A 6 6 ASP C C 6 176.227 176.460 -0.233 1
1 82 . 20 1 1 A 6 6 ASP CA C 6 53.772 56.206 -2.434 1
1 83 . 20 1 1 A 6 6 ASP CB C 6 40.478 41.066 -0.588 1
1 84 . 20 1 1 A 6 6 ASP N N 6 115.528 119.714 -4.186 1
1 85 . 20 1 1 A 7 7 MET H H 7 7.545 7.501 0.044 1
1 86 . 20 1 1 A 7 7 MET HA H 7 4.037 4.614 -0.577 1
1 94 . 20 1 1 A 7 7 MET C C 7 174.214 175.846 -1.632 1
1 95 . 20 1 1 A 7 7 MET CA C 7 57.578 55.393 2.185 1
1 96 . 20 1 1 A 7 7 MET CB C 7 33.295 33.689 -0.394 1
1 99 . 20 1 1 A 7 7 MET N N 7 119.925 118.785 1.140 1
1 100 . 20 1 1 A 8 8 ILE H H 8 8.721 8.630 0.091 1
1 101 . 20 1 1 A 8 8 ILE HA H 8 4.110 4.116 -0.006 1
1 111 . 20 1 1 A 8 8 ILE C C 8 178.731 176.385 2.346 1
1 112 . 20 1 1 A 8 8 ILE CA C 8 59.060 61.567 -2.507 1
1 113 . 20 1 1 A 8 8 ILE CB C 8 36.472 37.914 -1.442 1
1 117 . 20 1 1 A 8 8 ILE N N 8 121.085 122.750 -1.665 1
1 118 . 20 1 1 A 9 9 ILE H H 9 8.522 8.475 0.047 1
1 119 . 20 1 1 A 9 9 ILE HA H 9 3.238 3.548 -0.310 1
1 129 . 20 1 1 A 9 9 ILE C C 9 178.227 177.300 0.927 1
1 130 . 20 1 1 A 9 9 ILE CA C 9 67.720 65.226 2.494 1
1 131 . 20 1 1 A 9 9 ILE CB C 9 37.078 37.420 -0.342 1
1 135 . 20 1 1 A 9 9 ILE N N 9 128.907 124.757 4.150 1
1 136 . 20 1 1 A 10 10 ALA H H 10 8.578 8.473 0.105 1
1 137 . 20 1 1 A 10 10 ALA HA H 10 3.837 3.939 -0.102 1
1 141 . 20 1 1 A 10 10 ALA C C 10 179.790 178.720 1.070 1
1 142 . 20 1 1 A 10 10 ALA CA C 10 55.447 55.345 0.102 1
1 143 . 20 1 1 A 10 10 ALA CB C 10 19.000 17.950 1.050 1
1 144 . 20 1 1 A 10 10 ALA N N 10 118.416 121.433 -3.017 1
1 145 . 20 1 1 A 11 11 ASP H H 11 7.100 8.134 -1.034 1
1 146 . 20 1 1 A 11 11 ASP HA H 11 4.380 4.350 0.030 1
1 149 . 20 1 1 A 11 11 ASP C C 11 178.903 178.613 0.290 1
1 150 . 20 1 1 A 11 11 ASP CA C 11 56.979 57.501 -0.522 1
1 151 . 20 1 1 A 11 11 ASP CB C 11 39.520 41.758 -2.238 1
1 152 . 20 1 1 A 11 11 ASP N N 11 116.224 118.725 -2.501 1
1 153 . 20 1 1 A 12 12 VAL H H 12 7.723 8.019 -0.296 1
1 154 . 20 1 1 A 12 12 VAL HA H 12 3.862 3.752 0.110 1
1 162 . 20 1 1 A 12 12 VAL C C 12 177.664 178.238 -0.574 1
1 163 . 20 1 1 A 12 12 VAL CA C 12 66.656 66.957 -0.301 1
1 164 . 20 1 1 A 12 12 VAL CB C 12 31.980 31.520 0.460 1
1 167 . 20 1 1 A 12 12 VAL N N 12 123.054 119.349 3.705 1
1 168 . 20 1 1 A 13 13 LEU H H 13 7.995 8.100 -0.105 1
1 169 . 20 1 1 A 13 13 LEU HA H 13 3.945 4.082 -0.137 1
1 179 . 20 1 1 A 13 13 LEU C C 13 175.458 179.247 -3.789 1
1 180 . 20 1 1 A 13 13 LEU CA C 13 57.259 58.000 -0.741 1
1 181 . 20 1 1 A 13 13 LEU CB C 13 42.140 41.003 1.137 1
1 185 . 20 1 1 A 13 13 LEU N N 13 118.291 119.956 -1.665 1
1 186 . 20 1 1 A 14 14 GLN H H 14 7.580 7.939 -0.359 1
1 187 . 20 1 1 A 14 14 GLN HA H 14 3.988 4.293 -0.305 1
1 194 . 20 1 1 A 14 14 GLN C C 14 178.311 178.258 0.053 1
1 195 . 20 1 1 A 14 14 GLN CA C 14 57.659 58.419 -0.760 1
1 196 . 20 1 1 A 14 14 GLN CB C 14 28.700 28.469 0.231 1
1 198 . 20 1 1 A 14 14 GLN N N 14 114.621 117.390 -2.769 1
1 200 . 20 1 1 A 15 15 MET H H 15 7.675 7.842 -0.167 1
1 201 . 20 1 1 A 15 15 MET HA H 15 4.069 4.572 -0.503 1
1 209 . 20 1 1 A 15 15 MET C C 15 177.780 176.579 1.201 1
1 210 . 20 1 1 A 15 15 MET CA C 15 59.420 58.232 1.188 1
1 211 . 20 1 1 A 15 15 MET CB C 15 33.423 34.169 -0.746 1
1 214 . 20 1 1 A 15 15 MET N N 15 119.587 117.341 2.246 1
1 215 . 20 1 1 A 16 16 ASP H H 16 7.520 8.055 -0.535 1
1 216 . 20 1 1 A 16 16 ASP HA H 16 4.613 4.905 -0.292 1
1 219 . 20 1 1 A 16 16 ASP C C 16 175.706 175.987 -0.281 1
1 220 . 20 1 1 A 16 16 ASP CA C 16 55.090 53.777 1.313 1
1 221 . 20 1 1 A 16 16 ASP CB C 16 43.460 42.447 1.013 1
1 222 . 20 1 1 A 16 16 ASP N N 16 113.838 117.081 -3.243 1
1 223 . 20 1 1 A 17 17 ARG H H 17 9.352 8.889 0.463 1
1 224 . 20 1 1 A 17 17 ARG HA H 17 4.253 4.250 0.003 1
1 231 . 20 1 1 A 17 17 ARG C C 17 178.889 177.811 1.078 1
1 232 . 20 1 1 A 17 17 ARG CA C 17 58.566 58.757 -0.191 1
1 233 . 20 1 1 A 17 17 ARG CB C 17 29.280 30.120 -0.840 1
1 236 . 20 1 1 A 17 17 ARG N N 17 131.098 125.438 5.660 1
1 237 . 20 1 1 A 18 18 GLY H H 18 9.534 8.289 1.245 1
1 238 . 20 1 1 A 18 18 GLY HA2 H 18 3.857 3.829 0.028 1
1 239 . 20 1 1 A 18 18 GLY HA3 H 18 3.946 3.924 0.022 1
1 240 . 20 1 1 A 18 18 GLY C C 18 173.747 175.583 -1.836 1
1 241 . 20 1 1 A 18 18 GLY CA C 18 45.820 46.141 -0.321 1
1 242 . 20 1 1 A 18 18 GLY N N 18 111.218 108.316 2.902 1
1 243 . 20 1 1 A 19 19 THR H H 19 7.486 7.821 -0.335 1
1 244 . 20 1 1 A 19 19 THR HA H 19 3.293 3.620 -0.327 1
1 249 . 20 1 1 A 19 19 THR C C 19 177.067 176.902 0.165 1
1 250 . 20 1 1 A 19 19 THR CA C 19 63.090 64.128 -1.038 1
1 251 . 20 1 1 A 19 19 THR CB C 19 69.960 68.144 1.816 1
1 253 . 20 1 1 A 19 19 THR N N 19 106.889 112.497 -5.608 1
1 254 . 20 1 1 A 20 20 ALA H H 20 7.648 8.012 -0.364 1
1 255 . 20 1 1 A 20 20 ALA HA H 20 4.246 4.319 -0.073 1
1 259 . 20 1 1 A 20 20 ALA CA C 20 57.780 57.101 0.679 1
1 260 . 20 1 1 A 20 20 ALA CB C 20 15.960 17.168 -1.208 1
1 261 . 20 1 1 A 20 20 ALA N N 20 125.258 125.555 -0.297 1
1 262 . 20 1 1 A 21 21 PRO HA H 21 4.169 4.258 -0.089 1
1 269 . 20 1 1 A 21 21 PRO C C 21 177.812 179.228 -1.416 1
1 270 . 20 1 1 A 21 21 PRO CA C 21 65.630 66.053 -0.423 1
1 271 . 20 1 1 A 21 21 PRO CB C 21 31.220 30.802 0.418 1
1 274 . 20 1 1 A 22 22 ILE H H 22 7.120 7.409 -0.289 1
1 275 . 20 1 1 A 22 22 ILE HA H 22 3.622 3.732 -0.110 1
1 285 . 20 1 1 A 22 22 ILE C C 22 179.561 178.100 1.461 1
1 286 . 20 1 1 A 22 22 ILE CA C 22 64.640 63.975 0.665 1
1 287 . 20 1 1 A 22 22 ILE CB C 22 37.200 37.386 -0.186 1
1 291 . 20 1 1 A 22 22 ILE N N 22 117.089 116.543 0.546 1
1 292 . 20 1 1 A 23 23 PHE H H 23 7.411 7.902 -0.491 1
1 293 . 20 1 1 A 23 23 PHE HA H 23 3.919 4.316 -0.397 1
1 301 . 20 1 1 A 23 23 PHE C C 23 178.486 178.298 0.188 1
1 302 . 20 1 1 A 23 23 PHE CA C 23 63.450 60.913 2.537 1
1 303 . 20 1 1 A 23 23 PHE CB C 23 38.740 38.841 -0.101 1
1 309 . 20 1 1 A 23 23 PHE N N 23 118.753 118.623 0.130 1
1 310 . 20 1 1 A 24 24 ILE H H 24 8.077 8.524 -0.447 1
1 311 . 20 1 1 A 24 24 ILE HA H 24 3.503 3.786 -0.283 1
1 321 . 20 1 1 A 24 24 ILE C C 24 180.431 178.067 2.364 1
1 322 . 20 1 1 A 24 24 ILE CA C 24 64.997 65.738 -0.741 1
1 323 . 20 1 1 A 24 24 ILE CB C 24 38.110 37.749 0.361 1
1 327 . 20 1 1 A 24 24 ILE N N 24 120.410 119.930 0.480 1
1 328 . 20 1 1 A 25 25 ASN H H 25 8.971 8.659 0.312 1
1 329 . 20 1 1 A 25 25 ASN HA H 25 4.453 4.389 0.064 1
1 334 . 20 1 1 A 25 25 ASN C C 25 176.784 177.221 -0.437 1
1 335 . 20 1 1 A 25 25 ASN CA C 25 55.321 56.968 -1.647 1
1 336 . 20 1 1 A 25 25 ASN CB C 25 37.880 39.836 -1.956 1
1 337 . 20 1 1 A 25 25 ASN N N 25 120.191 120.102 0.089 1
1 339 . 20 1 1 A 26 26 ASN H H 26 7.315 7.900 -0.585 1
1 340 . 20 1 1 A 26 26 ASN HA H 26 4.601 4.786 -0.185 1
1 345 . 20 1 1 A 26 26 ASN C C 26 173.732 175.681 -1.949 1
1 346 . 20 1 1 A 26 26 ASN CA C 26 54.840 53.235 1.605 1
1 347 . 20 1 1 A 26 26 ASN CB C 26 40.890 39.178 1.712 1
1 348 . 20 1 1 A 26 26 ASN N N 26 116.500 114.946 1.554 1
1 350 . 20 1 1 A 27 27 GLY H H 27 7.880 7.936 -0.056 1
1 351 . 20 1 1 A 27 27 GLY HA2 H 27 4.305 3.945 0.360 1
1 352 . 20 1 1 A 27 27 GLY HA3 H 27 3.570 3.947 -0.377 1
1 353 . 20 1 1 A 27 27 GLY CA C 27 45.308 45.082 0.226 1
1 354 . 20 1 1 A 27 27 GLY N N 27 104.918 106.874 -1.956 1
1 355 . 20 1 1 A 28 28 MET H H 28 7.948 8.161 -0.213 1
1 356 . 20 1 1 A 28 28 MET HA H 28 4.190 4.783 -0.593 1
1 364 . 20 1 1 A 28 28 MET C C 28 174.147 175.346 -1.199 1
1 365 . 20 1 1 A 28 28 MET CA C 28 54.335 56.069 -1.734 1
1 366 . 20 1 1 A 28 28 MET CB C 28 31.978 33.508 -1.530 1
1 369 . 20 1 1 A 28 28 MET N N 28 120.940 120.960 -0.020 1
1 370 . 20 1 1 A 29 29 HIS H H 29 7.994 8.541 -0.547 1
1 371 . 20 1 1 A 29 29 HIS HA H 29 4.592 5.548 -0.956 1
1 375 . 20 1 1 A 29 29 HIS C C 29 177.664 174.432 3.232 1
1 376 . 20 1 1 A 29 29 HIS CA C 29 56.178 53.515 2.663 1
1 377 . 20 1 1 A 29 29 HIS CB C 29 30.190 33.083 -2.893 1
1 378 . 20 1 1 A 29 29 HIS N N 29 121.779 116.077 5.702 1
1 379 . 20 1 1 A 30 30 CYS H H 30 7.867 8.654 -0.787 1
1 380 . 20 1 1 A 30 30 CYS HA H 30 4.555 4.342 0.213 1
1 383 . 20 1 1 A 30 30 CYS C C 30 174.265 174.243 0.022 1
1 384 . 20 1 1 A 30 30 CYS CA C 30 57.398 58.288 -0.890 1
1 385 . 20 1 1 A 30 30 CYS CB C 30 28.234 28.233 0.001 1
1 386 . 20 1 1 A 30 30 CYS N N 30 116.200 119.221 -3.021 1
1 387 . 20 1 1 A 31 31 LEU H H 31 7.845 7.652 0.193 1
1 388 . 20 1 1 A 31 31 LEU HA H 31 4.045 4.094 -0.049 1
1 398 . 20 1 1 A 31 31 LEU C C 31 177.285 177.507 -0.222 1
1 399 . 20 1 1 A 31 31 LEU CA C 31 56.415 55.992 0.423 1
1 400 . 20 1 1 A 31 31 LEU CB C 31 41.172 42.268 -1.096 1
1 404 . 20 1 1 A 31 31 LEU N N 31 122.518 122.442 0.076 1
1 405 . 20 1 1 A 32 32 GLY H H 32 8.292 9.018 -0.726 1
1 406 . 20 1 1 A 32 32 GLY HA2 H 32 3.852 3.962 -0.110 1
1 407 . 20 1 1 A 32 32 GLY HA3 H 32 3.852 3.979 -0.127 1
1 408 . 20 1 1 A 32 32 GLY C C 32 173.868 174.191 -0.323 1
1 409 . 20 1 1 A 32 32 GLY CA C 32 45.182 45.972 -0.790 1
1 410 . 20 1 1 A 32 32 GLY N N 32 108.193 115.078 -6.885 1
1 411 . 20 1 1 A 33 33 CYS H H 33 7.747 7.779 -0.032 1
1 412 . 20 1 1 A 33 33 CYS HA H 33 4.826 4.603 0.223 1
1 415 . 20 1 1 A 33 33 CYS CA C 33 56.005 57.350 -1.345 1
1 416 . 20 1 1 A 33 33 CYS CB C 33 27.330 28.214 -0.884 1
1 417 . 20 1 1 A 33 33 CYS N N 33 120.574 120.250 0.324 1
1 418 . 20 1 1 A 34 34 PRO HA H 34 4.179 4.368 -0.189 1
1 425 . 20 1 1 A 34 34 PRO C C 34 178.582 177.240 1.342 1
1 426 . 20 1 1 A 34 34 PRO CA C 34 65.610 63.866 1.744 1
1 427 . 20 1 1 A 34 34 PRO CB C 34 32.071 32.065 0.006 1
1 430 . 20 1 1 A 35 35 SER H H 35 8.315 8.298 0.017 1
1 431 . 20 1 1 A 35 35 SER HA H 35 4.209 4.140 0.069 1
1 434 . 20 1 1 A 35 35 SER C C 35 177.910 177.310 0.600 1
1 435 . 20 1 1 A 35 35 SER CA C 35 60.704 61.404 -0.700 1
1 436 . 20 1 1 A 35 35 SER CB C 35 62.590 63.052 -0.462 1
1 437 . 20 1 1 A 35 35 SER N N 35 112.899 114.232 -1.333 1
1 438 . 20 1 1 A 36 36 SER H H 36 7.903 8.149 -0.246 1
1 439 . 20 1 1 A 36 36 SER HA H 36 4.432 4.193 0.239 1
1 442 . 20 1 1 A 36 36 SER C C 36 175.084 176.237 -1.153 1
1 443 . 20 1 1 A 36 36 SER CA C 36 60.336 61.026 -0.690 1
1 444 . 20 1 1 A 36 36 SER CB C 36 63.920 62.643 1.277 1
1 445 . 20 1 1 A 36 36 SER N N 36 117.747 115.100 2.647 1
1 446 . 20 1 1 A 37 37 MET H H 37 7.646 7.608 0.038 1
1 447 . 20 1 1 A 37 37 MET HA H 37 4.114 4.113 0.001 1
1 455 . 20 1 1 A 37 37 MET C C 37 175.617 177.798 -2.181 1
1 456 . 20 1 1 A 37 37 MET CA C 37 56.922 58.349 -1.427 1
1 457 . 20 1 1 A 37 37 MET CB C 37 32.891 33.047 -0.156 1
1 460 . 20 1 1 A 37 37 MET N N 37 117.790 118.705 -0.915 1
1 461 . 20 1 1 A 38 38 GLY H H 38 7.742 8.010 -0.268 1
1 462 . 20 1 1 A 38 38 GLY HA2 H 38 4.156 3.898 0.258 1
1 463 . 20 1 1 A 38 38 GLY HA3 H 38 3.623 3.903 -0.280 1
1 464 . 20 1 1 A 38 38 GLY C C 38 174.147 174.031 0.116 1
1 465 . 20 1 1 A 38 38 GLY CA C 38 45.260 45.222 0.038 1
1 466 . 20 1 1 A 38 38 GLY N N 38 104.897 107.320 -2.423 1
1 467 . 20 1 1 A 39 39 GLU H H 39 7.288 7.621 -0.333 1
1 468 . 20 1 1 A 39 39 GLU HA H 39 4.539 4.953 -0.414 1
1 473 . 20 1 1 A 39 39 GLU C C 39 173.845 175.300 -1.455 1
1 474 . 20 1 1 A 39 39 GLU CA C 39 54.885 54.368 0.517 1
1 475 . 20 1 1 A 39 39 GLU CB C 39 31.980 32.867 -0.887 1
1 477 . 20 1 1 A 39 39 GLU N N 39 119.469 118.994 0.475 1
1 478 . 20 1 1 A 40 40 SER H H 40 9.174 8.728 0.446 1
1 479 . 20 1 1 A 40 40 SER HA H 40 4.847 4.778 0.069 1
1 482 . 20 1 1 A 40 40 SER C C 40 175.082 175.797 -0.715 1
1 483 . 20 1 1 A 40 40 SER CA C 40 56.757 59.043 -2.286 1
1 484 . 20 1 1 A 40 40 SER CB C 40 65.397 63.499 1.898 1
1 485 . 20 1 1 A 40 40 SER N N 40 115.819 116.770 -0.951 1
1 486 . 20 1 1 A 41 41 ILE H H 41 8.739 9.006 -0.267 1
1 487 . 20 1 1 A 41 41 ILE HA H 41 3.512 3.779 -0.267 1
1 497 . 20 1 1 A 41 41 ILE C C 41 178.832 177.682 1.150 1
1 498 . 20 1 1 A 41 41 ILE CA C 41 67.190 65.783 1.407 1
1 499 . 20 1 1 A 41 41 ILE CB C 41 38.460 38.026 0.434 1
1 503 . 20 1 1 A 41 41 ILE N N 41 121.236 124.480 -3.244 1
1 504 . 20 1 1 A 42 42 GLU H H 42 8.932 8.767 0.165 1
1 505 . 20 1 1 A 42 42 GLU HA H 42 3.826 4.061 -0.235 1
1 510 . 20 1 1 A 42 42 GLU C C 42 178.134 178.559 -0.425 1
1 511 . 20 1 1 A 42 42 GLU CA C 42 59.860 59.144 0.716 1
1 512 . 20 1 1 A 42 42 GLU CB C 42 29.286 29.002 0.284 1
1 514 . 20 1 1 A 42 42 GLU N N 42 117.512 120.243 -2.731 1
1 515 . 20 1 1 A 43 43 ASP H H 43 8.090 8.251 -0.161 1
1 516 . 20 1 1 A 43 43 ASP HA H 43 4.428 4.357 0.071 1
1 519 . 20 1 1 A 43 43 ASP C C 43 179.021 178.097 0.924 1
1 520 . 20 1 1 A 43 43 ASP CA C 43 57.460 57.628 -0.168 1
1 521 . 20 1 1 A 43 43 ASP CB C 43 39.485 41.274 -1.789 1
1 522 . 20 1 1 A 43 43 ASP N N 43 122.750 120.695 2.055 1
1 523 . 20 1 1 A 44 44 ALA H H 44 8.807 8.168 0.639 1
1 524 . 20 1 1 A 44 44 ALA HA H 44 4.242 4.050 0.192 1
1 528 . 20 1 1 A 44 44 ALA C C 44 181.423 179.813 1.610 1
1 529 . 20 1 1 A 44 44 ALA CA C 44 55.260 55.151 0.109 1
1 530 . 20 1 1 A 44 44 ALA CB C 44 19.775 18.158 1.617 1
1 531 . 20 1 1 A 44 44 ALA N N 44 123.434 120.768 2.666 1
1 532 . 20 1 1 A 45 45 CYS H H 45 8.663 8.204 0.459 1
1 533 . 20 1 1 A 45 45 CYS HA H 45 4.039 4.181 -0.142 1
1 536 . 20 1 1 A 45 45 CYS C C 45 176.954 177.107 -0.153 1
1 537 . 20 1 1 A 45 45 CYS CA C 45 65.300 63.040 2.260 1
1 538 . 20 1 1 A 45 45 CYS CB C 45 26.940 26.283 0.657 1
1 539 . 20 1 1 A 45 45 CYS N N 45 115.424 116.293 -0.869 1
1 540 . 20 1 1 A 46 46 ALA H H 46 7.844 8.250 -0.406 1
1 541 . 20 1 1 A 46 46 ALA HA H 46 4.274 4.139 0.135 1
1 545 . 20 1 1 A 46 46 ALA C C 46 180.730 180.133 0.597 1
1 546 . 20 1 1 A 46 46 ALA CA C 46 55.127 54.694 0.433 1
1 547 . 20 1 1 A 46 46 ALA CB C 46 18.020 18.214 -0.194 1
1 548 . 20 1 1 A 46 46 ALA N N 46 122.366 122.479 -0.113 1
1 549 . 20 1 1 A 47 47 VAL H H 47 7.503 7.419 0.084 1
1 550 . 20 1 1 A 47 47 VAL HA H 47 3.690 3.594 0.096 1
1 558 . 20 1 1 A 47 47 VAL C C 47 177.652 177.337 0.315 1
1 559 . 20 1 1 A 47 47 VAL CA C 47 65.530 66.344 -0.814 1
1 560 . 20 1 1 A 47 47 VAL CB C 47 32.140 31.645 0.495 1
1 563 . 20 1 1 A 47 47 VAL N N 47 116.850 119.393 -2.543 1
1 564 . 20 1 1 A 48 48 HIS H H 48 7.496 7.152 0.344 1
1 565 . 20 1 1 A 48 48 HIS HA H 48 4.629 4.637 -0.008 1
1 569 . 20 1 1 A 48 48 HIS C C 48 174.865 175.064 -0.199 1
1 570 . 20 1 1 A 48 48 HIS CA C 48 56.985 55.871 1.114 1
1 571 . 20 1 1 A 48 48 HIS CB C 48 31.033 29.857 1.176 1
1 573 . 20 1 1 A 48 48 HIS N N 48 114.271 115.961 -1.690 1
1 574 . 20 1 1 A 49 49 GLY H H 49 7.846 7.813 0.033 1
1 575 . 20 1 1 A 49 49 GLY HA2 H 49 4.002 3.893 0.109 1
1 576 . 20 1 1 A 49 49 GLY HA3 H 49 4.002 3.902 0.100 1
1 577 . 20 1 1 A 49 49 GLY C C 49 174.536 174.919 -0.383 1
1 578 . 20 1 1 A 49 49 GLY CA C 49 47.189 46.409 0.780 1
1 579 . 20 1 1 A 49 49 GLY N N 49 110.669 109.083 1.586 1
1 580 . 20 1 1 A 50 50 ILE H H 50 8.126 8.372 -0.246 1
1 581 . 20 1 1 A 50 50 ILE HA H 50 4.295 4.067 0.228 1
1 591 . 20 1 1 A 50 50 ILE C C 50 175.038 175.693 -0.655 1
1 592 . 20 1 1 A 50 50 ILE CA C 50 59.759 61.194 -1.435 1
1 593 . 20 1 1 A 50 50 ILE CB C 50 41.222 38.491 2.731 1
1 597 . 20 1 1 A 50 50 ILE N N 50 119.905 121.961 -2.056 1
1 598 . 20 1 1 A 51 51 ASP H H 51 8.497 8.600 -0.103 1
1 599 . 20 1 1 A 51 51 ASP HA H 51 4.523 4.786 -0.263 1
1 602 . 20 1 1 A 51 51 ASP C C 51 175.978 176.548 -0.570 1
1 603 . 20 1 1 A 51 51 ASP CA C 51 54.100 52.733 1.367 1
1 604 . 20 1 1 A 51 51 ASP CB C 51 40.990 40.261 0.729 1
1 605 . 20 1 1 A 51 51 ASP N N 51 124.951 126.250 -1.299 1
1 606 . 20 1 1 A 52 52 ALA H H 52 8.791 8.872 -0.081 1
1 607 . 20 1 1 A 52 52 ALA HA H 52 4.329 4.037 0.292 1
1 611 . 20 1 1 A 52 52 ALA CA C 52 55.070 55.292 -0.222 1
1 612 . 20 1 1 A 52 52 ALA CB C 52 19.480 18.352 1.128 1
1 613 . 20 1 1 A 52 52 ALA N N 52 131.766 128.804 2.962 1
1 614 . 20 1 1 A 53 53 ASP H H 53 8.082 8.163 -0.081 1
1 615 . 20 1 1 A 53 53 ASP HA H 53 4.321 4.349 -0.028 1
1 618 . 20 1 1 A 53 53 ASP CA C 53 57.500 57.430 0.070 1
1 619 . 20 1 1 A 53 53 ASP CB C 53 39.940 41.290 -1.350 1
1 620 . 20 1 1 A 53 53 ASP N N 53 116.960 118.588 -1.628 1
1 621 . 20 1 1 A 54 54 LYS H H 54 7.762 7.675 0.087 1
1 622 . 20 1 1 A 54 54 LYS HA H 54 3.958 4.075 -0.117 1
1 631 . 20 1 1 A 54 54 LYS C C 54 177.748 178.931 -1.183 1
1 632 . 20 1 1 A 54 54 LYS CA C 54 59.355 59.363 -0.008 1
1 633 . 20 1 1 A 54 54 LYS CB C 54 32.920 32.354 0.566 1
1 637 . 20 1 1 A 54 54 LYS N N 54 123.420 118.931 4.489 1
1 638 . 20 1 1 A 55 55 LEU H H 55 7.337 7.663 -0.326 1
1 639 . 20 1 1 A 55 55 LEU HA H 55 3.822 4.003 -0.181 1
1 649 . 20 1 1 A 55 55 LEU C C 55 177.966 178.391 -0.425 1
1 650 . 20 1 1 A 55 55 LEU CA C 55 58.258 58.344 -0.086 1
1 651 . 20 1 1 A 55 55 LEU CB C 55 41.908 41.610 0.298 1
1 655 . 20 1 1 A 55 55 LEU N N 55 119.522 121.742 -2.220 1
1 656 . 20 1 1 A 56 56 VAL H H 56 8.503 8.438 0.065 1
1 657 . 20 1 1 A 56 56 VAL HA H 56 3.378 3.552 -0.174 1
1 665 . 20 1 1 A 56 56 VAL C C 56 177.576 177.841 -0.265 1
1 666 . 20 1 1 A 56 56 VAL CA C 56 67.460 67.026 0.434 1
1 667 . 20 1 1 A 56 56 VAL CB C 56 31.560 31.350 0.210 1
1 670 . 20 1 1 A 56 56 VAL N N 56 117.548 119.474 -1.926 1
1 671 . 20 1 1 A 57 57 LYS H H 57 8.003 7.772 0.231 1
1 672 . 20 1 1 A 57 57 LYS HA H 57 4.200 3.838 0.362 1
1 681 . 20 1 1 A 57 57 LYS C C 57 179.196 180.046 -0.850 1
1 682 . 20 1 1 A 57 57 LYS CA C 57 60.130 60.503 -0.373 1
1 683 . 20 1 1 A 57 57 LYS CB C 57 32.383 32.402 -0.019 1
1 687 . 20 1 1 A 57 57 LYS N N 57 122.289 118.741 3.548 1
1 688 . 20 1 1 A 58 58 GLU H H 58 8.035 8.283 -0.248 1
1 689 . 20 1 1 A 58 58 GLU HA H 58 4.010 4.042 -0.032 1
1 694 . 20 1 1 A 58 58 GLU CA C 58 59.975 59.154 0.821 1
1 695 . 20 1 1 A 58 58 GLU CB C 58 29.430 29.188 0.242 1
1 697 . 20 1 1 A 58 58 GLU N N 58 119.482 120.300 -0.818 1
1 698 . 20 1 1 A 59 59 LEU H H 59 8.560 8.265 0.295 1
1 699 . 20 1 1 A 59 59 LEU HA H 59 3.998 3.953 0.045 1
1 709 . 20 1 1 A 59 59 LEU C C 59 178.239 179.061 -0.822 1
1 710 . 20 1 1 A 59 59 LEU CA C 59 58.200 57.867 0.333 1
1 711 . 20 1 1 A 59 59 LEU CB C 59 42.695 41.855 0.840 1
1 715 . 20 1 1 A 59 59 LEU N N 59 121.725 120.480 1.245 1
1 716 . 20 1 1 A 60 60 ASN H H 60 8.684 8.695 -0.011 1
1 717 . 20 1 1 A 60 60 ASN HA H 60 4.806 4.582 0.224 1
1 722 . 20 1 1 A 60 60 ASN C C 60 178.495 178.407 0.088 1
1 723 . 20 1 1 A 60 60 ASN CA C 60 57.895 56.705 1.190 1
1 724 . 20 1 1 A 60 60 ASN CB C 60 38.528 37.839 0.689 1
1 725 . 20 1 1 A 60 60 ASN N N 60 117.410 117.784 -0.374 1
1 727 . 20 1 1 A 61 61 GLU H H 61 8.602 8.546 0.056 1
1 728 . 20 1 1 A 61 61 GLU HA H 61 4.040 4.401 -0.361 1
1 733 . 20 1 1 A 61 61 GLU C C 61 178.325 178.541 -0.216 1
1 734 . 20 1 1 A 61 61 GLU CA C 61 59.814 58.966 0.848 1
1 735 . 20 1 1 A 61 61 GLU CB C 61 29.610 29.356 0.254 1
1 737 . 20 1 1 A 61 61 GLU N N 61 121.480 119.566 1.914 1
1 738 . 20 1 1 A 62 62 TYR H H 62 7.698 7.958 -0.260 1
1 739 . 20 1 1 A 62 62 TYR HA H 62 3.978 4.212 -0.234 1
1 746 . 20 1 1 A 62 62 TYR C C 62 177.947 177.441 0.506 1
1 747 . 20 1 1 A 62 62 TYR CA C 62 61.600 61.522 0.078 1
1 748 . 20 1 1 A 62 62 TYR CB C 62 37.513 38.334 -0.821 1
1 753 . 20 1 1 A 62 62 TYR N N 62 120.683 122.702 -2.019 1
1 754 . 20 1 1 A 63 63 PHE H H 63 7.982 8.174 -0.192 1
1 755 . 20 1 1 A 63 63 PHE HA H 63 3.932 4.022 -0.090 1
1 763 . 20 1 1 A 63 63 PHE CA C 63 63.262 62.124 1.138 1
1 764 . 20 1 1 A 63 63 PHE CB C 63 39.120 38.245 0.875 1
1 770 . 20 1 1 A 63 63 PHE N N 63 117.730 118.649 -0.919 1
1 771 . 20 1 1 A 64 64 GLU H H 64 8.554 8.180 0.374 1
1 772 . 20 1 1 A 64 64 GLU HA H 64 4.095 3.846 0.249 1
1 777 . 20 1 1 A 64 64 GLU C C 64 178.921 179.470 -0.549 1
1 778 . 20 1 1 A 64 64 GLU CA C 64 59.322 59.927 -0.605 1
1 779 . 20 1 1 A 64 64 GLU CB C 64 29.670 29.207 0.463 1
1 781 . 20 1 1 A 64 64 GLU N N 64 121.392 119.974 1.418 1
1 782 . 20 1 1 A 65 65 LYS H H 65 7.850 7.399 0.451 1
1 783 . 20 1 1 A 65 65 LYS HA H 65 3.982 4.014 -0.032 1
1 792 . 20 1 1 A 65 65 LYS C C 65 178.374 178.731 -0.357 1
1 793 . 20 1 1 A 65 65 LYS CA C 65 58.638 59.446 -0.808 1
1 794 . 20 1 1 A 65 65 LYS CB C 65 32.110 32.134 -0.024 1
1 798 . 20 1 1 A 65 65 LYS N N 65 118.746 119.750 -1.004 1
1 799 . 20 1 1 A 66 66 LYS H H 66 7.503 7.642 -0.139 1
1 800 . 20 1 1 A 66 66 LYS HA H 66 3.880 3.760 0.120 1
1 809 . 20 1 1 A 66 66 LYS C C 66 177.925 179.604 -1.679 1
1 810 . 20 1 1 A 66 66 LYS CA C 66 58.590 59.520 -0.930 1
1 811 . 20 1 1 A 66 66 LYS CB C 66 32.560 32.056 0.504 1
1 815 . 20 1 1 A 66 66 LYS N N 66 119.241 119.894 -0.653 1
1 816 . 20 1 1 A 67 67 GLU H H 67 7.876 8.434 -0.558 1
1 817 . 20 1 1 A 67 67 GLU HA H 67 4.097 4.094 0.003 1
1 822 . 20 1 1 A 67 67 GLU C C 67 178.016 178.348 -0.332 1
1 823 . 20 1 1 A 67 67 GLU CA C 67 58.280 58.644 -0.364 1
1 824 . 20 1 1 A 67 67 GLU CB C 67 29.802 29.350 0.452 1
1 826 . 20 1 1 A 67 67 GLU N N 67 119.096 119.382 -0.286 1
1 827 . 20 1 1 A 68 68 VAL H H 68 7.719 7.322 0.397 1
1 828 . 20 1 1 A 68 68 VAL HA H 68 3.797 3.760 0.037 1
1 836 . 20 1 1 A 68 68 VAL C C 68 177.668 177.930 -0.262 1
1 837 . 20 1 1 A 68 68 VAL CA C 68 64.600 65.510 -0.910 1
1 838 . 20 1 1 A 68 68 VAL CB C 68 32.050 31.957 0.093 1
1 841 . 20 1 1 A 68 68 VAL N N 68 119.409 120.150 -0.741 1
1 842 . 20 1 1 A 69 69 LEU H H 69 7.911 8.493 -0.582 1
1 843 . 20 1 1 A 69 69 LEU HA H 69 4.127 3.868 0.259 1
1 853 . 20 1 1 A 69 69 LEU C C 69 178.438 178.840 -0.402 1
1 854 . 20 1 1 A 69 69 LEU CA C 69 56.461 58.210 -1.749 1
1 855 . 20 1 1 A 69 69 LEU CB C 69 42.153 41.621 0.532 1
1 859 . 20 1 1 A 69 69 LEU N N 69 122.199 118.570 3.629 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 61 1.458 1
2 1 1 1 "RMS(OBS, PRED)" CA 68 1.308 1
3 1 1 1 "RMS(OBS, PRED)" CB 63 1.253 1
4 1 1 1 "RMS(OBS, PRED)" H 66 0.429 1
5 1 1 1 "RMS(OBS, PRED)" HA 73 0.256 1
6 1 1 1 "RMS(OBS, PRED)" N 66 2.685 1
7 1 2 1 "RMS(OBS, PRED)" C 61 1.423 1
8 1 2 1 "RMS(OBS, PRED)" CA 68 1.358 1
9 1 2 1 "RMS(OBS, PRED)" CB 63 0.981 1
10 1 2 1 "RMS(OBS, PRED)" H 66 0.441 1
11 1 2 1 "RMS(OBS, PRED)" HA 73 0.229 1
12 1 2 1 "RMS(OBS, PRED)" N 66 2.684 1
13 1 3 1 "RMS(OBS, PRED)" C 61 1.440 1
14 1 3 1 "RMS(OBS, PRED)" CA 68 1.224 1
15 1 3 1 "RMS(OBS, PRED)" CB 63 1.087 1
16 1 3 1 "RMS(OBS, PRED)" H 66 0.411 1
17 1 3 1 "RMS(OBS, PRED)" HA 73 0.213 1
18 1 3 1 "RMS(OBS, PRED)" N 66 2.711 1
19 1 4 1 "RMS(OBS, PRED)" C 61 1.294 1
20 1 4 1 "RMS(OBS, PRED)" CA 68 1.291 1
21 1 4 1 "RMS(OBS, PRED)" CB 63 1.228 1
22 1 4 1 "RMS(OBS, PRED)" H 66 0.394 1
23 1 4 1 "RMS(OBS, PRED)" HA 73 0.238 1
24 1 4 1 "RMS(OBS, PRED)" N 66 2.585 1
25 1 5 1 "RMS(OBS, PRED)" C 61 1.537 1
26 1 5 1 "RMS(OBS, PRED)" CA 68 1.264 1
27 1 5 1 "RMS(OBS, PRED)" CB 63 1.177 1
28 1 5 1 "RMS(OBS, PRED)" H 66 0.433 1
29 1 5 1 "RMS(OBS, PRED)" HA 73 0.255 1
30 1 5 1 "RMS(OBS, PRED)" N 66 2.622 1
31 1 6 1 "RMS(OBS, PRED)" C 61 1.338 1
32 1 6 1 "RMS(OBS, PRED)" CA 68 1.254 1
33 1 6 1 "RMS(OBS, PRED)" CB 63 0.969 1
34 1 6 1 "RMS(OBS, PRED)" H 66 0.415 1
35 1 6 1 "RMS(OBS, PRED)" HA 73 0.211 1
36 1 6 1 "RMS(OBS, PRED)" N 66 2.442 1
37 1 7 1 "RMS(OBS, PRED)" C 61 1.337 1
38 1 7 1 "RMS(OBS, PRED)" CA 68 1.238 1
39 1 7 1 "RMS(OBS, PRED)" CB 63 1.009 1
40 1 7 1 "RMS(OBS, PRED)" H 66 0.460 1
41 1 7 1 "RMS(OBS, PRED)" HA 73 0.234 1
42 1 7 1 "RMS(OBS, PRED)" N 66 2.578 1
43 1 8 1 "RMS(OBS, PRED)" C 61 1.445 1
44 1 8 1 "RMS(OBS, PRED)" CA 68 1.261 1
45 1 8 1 "RMS(OBS, PRED)" CB 63 1.101 1
46 1 8 1 "RMS(OBS, PRED)" H 66 0.421 1
47 1 8 1 "RMS(OBS, PRED)" HA 73 0.217 1
48 1 8 1 "RMS(OBS, PRED)" N 66 2.660 1
49 1 9 1 "RMS(OBS, PRED)" C 61 1.345 1
50 1 9 1 "RMS(OBS, PRED)" CA 68 1.249 1
51 1 9 1 "RMS(OBS, PRED)" CB 63 1.001 1
52 1 9 1 "RMS(OBS, PRED)" H 66 0.399 1
53 1 9 1 "RMS(OBS, PRED)" HA 73 0.220 1
54 1 9 1 "RMS(OBS, PRED)" N 66 2.651 1
55 1 10 1 "RMS(OBS, PRED)" C 61 1.362 1
56 1 10 1 "RMS(OBS, PRED)" CA 68 1.276 1
57 1 10 1 "RMS(OBS, PRED)" CB 63 0.994 1
58 1 10 1 "RMS(OBS, PRED)" H 66 0.431 1
59 1 10 1 "RMS(OBS, PRED)" HA 73 0.229 1
60 1 10 1 "RMS(OBS, PRED)" N 66 2.751 1
61 1 11 1 "RMS(OBS, PRED)" C 61 1.361 1
62 1 11 1 "RMS(OBS, PRED)" CA 68 1.403 1
63 1 11 1 "RMS(OBS, PRED)" CB 63 1.020 1
64 1 11 1 "RMS(OBS, PRED)" H 66 0.414 1
65 1 11 1 "RMS(OBS, PRED)" HA 73 0.245 1
66 1 11 1 "RMS(OBS, PRED)" N 66 2.644 1
67 1 12 1 "RMS(OBS, PRED)" C 61 1.371 1
68 1 12 1 "RMS(OBS, PRED)" CA 68 1.275 1
69 1 12 1 "RMS(OBS, PRED)" CB 63 1.084 1
70 1 12 1 "RMS(OBS, PRED)" H 66 0.432 1
71 1 12 1 "RMS(OBS, PRED)" HA 73 0.228 1
72 1 12 1 "RMS(OBS, PRED)" N 66 2.438 1
73 1 13 1 "RMS(OBS, PRED)" C 61 1.277 1
74 1 13 1 "RMS(OBS, PRED)" CA 68 1.209 1
75 1 13 1 "RMS(OBS, PRED)" CB 63 0.911 1
76 1 13 1 "RMS(OBS, PRED)" H 66 0.443 1
77 1 13 1 "RMS(OBS, PRED)" HA 73 0.217 1
78 1 13 1 "RMS(OBS, PRED)" N 66 2.444 1
79 1 14 1 "RMS(OBS, PRED)" C 61 1.372 1
80 1 14 1 "RMS(OBS, PRED)" CA 68 1.386 1
81 1 14 1 "RMS(OBS, PRED)" CB 63 1.180 1
82 1 14 1 "RMS(OBS, PRED)" H 66 0.396 1
83 1 14 1 "RMS(OBS, PRED)" HA 73 0.245 1
84 1 14 1 "RMS(OBS, PRED)" N 66 2.757 1
85 1 15 1 "RMS(OBS, PRED)" C 61 1.378 1
86 1 15 1 "RMS(OBS, PRED)" CA 68 1.278 1
87 1 15 1 "RMS(OBS, PRED)" CB 63 0.953 1
88 1 15 1 "RMS(OBS, PRED)" H 66 0.418 1
89 1 15 1 "RMS(OBS, PRED)" HA 73 0.233 1
90 1 15 1 "RMS(OBS, PRED)" N 66 2.460 1
91 1 16 1 "RMS(OBS, PRED)" C 61 1.469 1
92 1 16 1 "RMS(OBS, PRED)" CA 68 1.303 1
93 1 16 1 "RMS(OBS, PRED)" CB 63 1.215 1
94 1 16 1 "RMS(OBS, PRED)" H 66 0.431 1
95 1 16 1 "RMS(OBS, PRED)" HA 73 0.270 1
96 1 16 1 "RMS(OBS, PRED)" N 66 2.614 1
97 1 17 1 "RMS(OBS, PRED)" C 61 1.343 1
98 1 17 1 "RMS(OBS, PRED)" CA 68 1.277 1
99 1 17 1 "RMS(OBS, PRED)" CB 63 0.995 1
100 1 17 1 "RMS(OBS, PRED)" H 66 0.437 1
101 1 17 1 "RMS(OBS, PRED)" HA 73 0.248 1
102 1 17 1 "RMS(OBS, PRED)" N 66 2.608 1
103 1 18 1 "RMS(OBS, PRED)" C 61 1.372 1
104 1 18 1 "RMS(OBS, PRED)" CA 68 1.258 1
105 1 18 1 "RMS(OBS, PRED)" CB 63 0.998 1
106 1 18 1 "RMS(OBS, PRED)" H 66 0.408 1
107 1 18 1 "RMS(OBS, PRED)" HA 73 0.232 1
108 1 18 1 "RMS(OBS, PRED)" N 66 2.531 1
109 1 19 1 "RMS(OBS, PRED)" C 61 1.461 1
110 1 19 1 "RMS(OBS, PRED)" CA 68 1.321 1
111 1 19 1 "RMS(OBS, PRED)" CB 63 1.161 1
112 1 19 1 "RMS(OBS, PRED)" H 66 0.426 1
113 1 19 1 "RMS(OBS, PRED)" HA 73 0.226 1
114 1 19 1 "RMS(OBS, PRED)" N 66 2.561 1
115 1 20 1 "RMS(OBS, PRED)" C 61 1.341 1
116 1 20 1 "RMS(OBS, PRED)" CA 68 1.277 1
117 1 20 1 "RMS(OBS, PRED)" CB 63 1.058 1
118 1 20 1 "RMS(OBS, PRED)" H 66 0.442 1
119 1 20 1 "RMS(OBS, PRED)" HA 73 0.253 1
120 1 20 1 "RMS(OBS, PRED)" N 66 2.573 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 14 . 1 1 A 2 2 LYS H H 2 8.383 8.581 -0.198 2
1 15 . 1 1 A 2 2 LYS HA H 2 4.314 4.729 -0.415 2
1 24 . 1 1 A 2 2 LYS C C 2 175.001 175.788 -0.787 2
1 25 . 1 1 A 2 2 LYS CA C 2 56.188 55.450 0.738 2
1 26 . 1 1 A 2 2 LYS CB C 2 33.481 33.860 -0.379 2
1 30 . 1 1 A 2 2 LYS N N 2 124.593 124.372 0.221 2
1 31 . 1 1 A 3 3 ILE H H 3 9.639 8.610 1.029 2
1 32 . 1 1 A 3 3 ILE HA H 3 4.510 4.353 0.157 2
1 42 . 1 1 A 3 3 ILE C C 3 176.337 175.738 0.599 2
1 43 . 1 1 A 3 3 ILE CA C 3 58.009 61.862 -3.853 2
1 44 . 1 1 A 3 3 ILE CB C 3 36.405 37.942 -1.537 2
1 48 . 1 1 A 3 3 ILE N N 3 124.160 126.240 -2.080 2
1 49 . 1 1 A 4 4 THR H H 4 7.637 8.120 -0.483 2
1 50 . 1 1 A 4 4 THR HA H 4 4.795 4.950 -0.155 2
1 55 . 1 1 A 4 4 THR C C 4 175.818 175.326 0.492 2
1 56 . 1 1 A 4 4 THR CA C 4 59.550 59.121 0.429 2
1 57 . 1 1 A 4 4 THR CB C 4 71.365 71.829 -0.464 2
1 59 . 1 1 A 4 4 THR N N 4 115.631 116.724 -1.093 2
1 60 . 1 1 A 5 5 LYS H H 5 9.100 8.940 0.160 2
1 61 . 1 1 A 5 5 LYS HA H 5 3.910 4.108 -0.198 2
1 70 . 1 1 A 5 5 LYS C C 5 173.504 178.274 -4.770 2
1 71 . 1 1 A 5 5 LYS CA C 5 58.730 58.588 0.142 2
1 72 . 1 1 A 5 5 LYS CB C 5 32.584 32.017 0.567 2
1 76 . 1 1 A 5 5 LYS N N 5 117.257 119.513 -2.256 2
1 77 . 1 1 A 6 6 ASP H H 6 8.542 7.719 0.823 2
1 78 . 1 1 A 6 6 ASP HA H 6 4.577 4.559 0.018 2
1 81 . 1 1 A 6 6 ASP C C 6 176.227 176.532 -0.305 2
1 82 . 1 1 A 6 6 ASP CA C 6 53.772 56.136 -2.364 2
1 83 . 1 1 A 6 6 ASP CB C 6 40.478 40.863 -0.385 2
1 84 . 1 1 A 6 6 ASP N N 6 115.528 119.650 -4.122 2
1 85 . 1 1 A 7 7 MET H H 7 7.545 7.713 -0.168 2
1 86 . 1 1 A 7 7 MET HA H 7 4.037 4.608 -0.571 2
1 94 . 1 1 A 7 7 MET C C 7 174.214 175.884 -1.670 2
1 95 . 1 1 A 7 7 MET CA C 7 57.578 55.326 2.252 2
1 96 . 1 1 A 7 7 MET CB C 7 33.295 33.576 -0.281 2
1 99 . 1 1 A 7 7 MET N N 7 119.925 118.868 1.058 2
1 100 . 1 1 A 8 8 ILE H H 8 8.721 8.621 0.100 2
1 101 . 1 1 A 8 8 ILE HA H 8 4.110 4.139 -0.029 2
1 111 . 1 1 A 8 8 ILE C C 8 178.731 176.479 2.252 2
1 112 . 1 1 A 8 8 ILE CA C 8 59.060 61.549 -2.489 2
1 113 . 1 1 A 8 8 ILE CB C 8 36.472 37.979 -1.507 2
1 117 . 1 1 A 8 8 ILE N N 8 121.085 122.842 -1.757 2
1 118 . 1 1 A 9 9 ILE H H 9 8.522 8.348 0.174 2
1 119 . 1 1 A 9 9 ILE HA H 9 3.238 3.577 -0.339 2
1 129 . 1 1 A 9 9 ILE C C 9 178.227 177.355 0.872 2
1 130 . 1 1 A 9 9 ILE CA C 9 67.720 65.035 2.685 2
1 131 . 1 1 A 9 9 ILE CB C 9 37.078 37.344 -0.266 2
1 135 . 1 1 A 9 9 ILE N N 9 128.907 124.716 4.191 2
1 136 . 1 1 A 10 10 ALA H H 10 8.578 8.294 0.284 2
1 137 . 1 1 A 10 10 ALA HA H 10 3.837 3.948 -0.111 2
1 141 . 1 1 A 10 10 ALA C C 10 179.790 179.190 0.600 2
1 142 . 1 1 A 10 10 ALA CA C 10 55.447 55.283 0.164 2
1 143 . 1 1 A 10 10 ALA CB C 10 19.000 18.086 0.914 2
1 144 . 1 1 A 10 10 ALA N N 10 118.416 121.610 -3.194 2
1 145 . 1 1 A 11 11 ASP H H 11 7.100 8.092 -0.992 2
1 146 . 1 1 A 11 11 ASP HA H 11 4.380 4.369 0.011 2
1 149 . 1 1 A 11 11 ASP C C 11 178.903 178.645 0.258 2
1 150 . 1 1 A 11 11 ASP CA C 11 56.979 57.371 -0.392 2
1 151 . 1 1 A 11 11 ASP CB C 11 39.520 41.336 -1.816 2
1 152 . 1 1 A 11 11 ASP N N 11 116.224 118.662 -2.438 2
1 153 . 1 1 A 12 12 VAL H H 12 7.723 8.072 -0.349 2
1 154 . 1 1 A 12 12 VAL HA H 12 3.862 3.742 0.120 2
1 162 . 1 1 A 12 12 VAL C C 12 177.664 178.301 -0.637 2
1 163 . 1 1 A 12 12 VAL CA C 12 66.656 66.763 -0.107 2
1 164 . 1 1 A 12 12 VAL CB C 12 31.980 31.649 0.331 2
1 167 . 1 1 A 12 12 VAL N N 12 123.054 119.796 3.258 2
1 168 . 1 1 A 13 13 LEU H H 13 7.995 8.227 -0.232 2
1 169 . 1 1 A 13 13 LEU HA H 13 3.945 4.174 -0.229 2
1 179 . 1 1 A 13 13 LEU C C 13 175.458 179.524 -4.066 2
1 180 . 1 1 A 13 13 LEU CA C 13 57.259 57.844 -0.585 2
1 181 . 1 1 A 13 13 LEU CB C 13 42.140 40.891 1.250 2
1 185 . 1 1 A 13 13 LEU N N 13 118.291 120.017 -1.726 2
1 186 . 1 1 A 14 14 GLN H H 14 7.580 7.991 -0.411 2
1 187 . 1 1 A 14 14 GLN HA H 14 3.988 4.210 -0.222 2
1 194 . 1 1 A 14 14 GLN C C 14 178.311 178.775 -0.464 2
1 195 . 1 1 A 14 14 GLN CA C 14 57.659 58.722 -1.063 2
1 196 . 1 1 A 14 14 GLN CB C 14 28.700 28.293 0.407 2
1 198 . 1 1 A 14 14 GLN N N 14 114.621 118.114 -3.493 2
1 200 . 1 1 A 15 15 MET H H 15 7.675 7.697 -0.022 2
1 201 . 1 1 A 15 15 MET HA H 15 4.069 4.480 -0.411 2
1 209 . 1 1 A 15 15 MET C C 15 177.780 176.452 1.328 2
1 210 . 1 1 A 15 15 MET CA C 15 59.420 58.457 0.963 2
1 211 . 1 1 A 15 15 MET CB C 15 33.423 33.881 -0.458 2
1 214 . 1 1 A 15 15 MET N N 15 119.587 117.810 1.777 2
1 215 . 1 1 A 16 16 ASP H H 16 7.520 7.977 -0.457 2
1 216 . 1 1 A 16 16 ASP HA H 16 4.613 4.993 -0.380 2
1 219 . 1 1 A 16 16 ASP C C 16 175.706 175.762 -0.056 2
1 220 . 1 1 A 16 16 ASP CA C 16 55.090 53.876 1.214 2
1 221 . 1 1 A 16 16 ASP CB C 16 43.460 43.382 0.078 2
1 222 . 1 1 A 16 16 ASP N N 16 113.838 116.722 -2.884 2
1 223 . 1 1 A 17 17 ARG H H 17 9.352 8.910 0.442 2
1 224 . 1 1 A 17 17 ARG HA H 17 4.253 4.178 0.075 2
1 231 . 1 1 A 17 17 ARG C C 17 178.889 177.907 0.982 2
1 232 . 1 1 A 17 17 ARG CA C 17 58.566 58.779 -0.213 2
1 233 . 1 1 A 17 17 ARG CB C 17 29.280 29.992 -0.712 2
1 236 . 1 1 A 17 17 ARG N N 17 131.098 125.345 5.753 2
1 237 . 1 1 A 18 18 GLY H H 18 9.534 8.254 1.280 2
1 238 . 1 1 A 18 18 GLY HA2 H 18 3.857 3.897 -0.040 2
1 239 . 1 1 A 18 18 GLY HA3 H 18 3.946 3.969 -0.023 2
1 240 . 1 1 A 18 18 GLY C C 18 173.747 175.413 -1.666 2
1 241 . 1 1 A 18 18 GLY CA C 18 45.820 46.042 -0.222 2
1 242 . 1 1 A 18 18 GLY N N 18 111.218 108.262 2.956 2
1 243 . 1 1 A 19 19 THR H H 19 7.486 7.704 -0.218 2
1 244 . 1 1 A 19 19 THR HA H 19 3.293 3.640 -0.347 2
1 249 . 1 1 A 19 19 THR C C 19 177.067 176.721 0.346 2
1 250 . 1 1 A 19 19 THR CA C 19 63.090 64.089 -0.999 2
1 251 . 1 1 A 19 19 THR CB C 19 69.960 68.327 1.633 2
1 253 . 1 1 A 19 19 THR N N 19 106.889 111.965 -5.076 2
1 254 . 1 1 A 20 20 ALA H H 20 7.648 8.079 -0.430 2
1 255 . 1 1 A 20 20 ALA HA H 20 4.246 4.294 -0.048 2
1 259 . 1 1 A 20 20 ALA CA C 20 57.780 57.127 0.653 2
1 260 . 1 1 A 20 20 ALA CB C 20 15.960 16.982 -1.022 2
1 261 . 1 1 A 20 20 ALA N N 20 125.258 125.145 0.113 2
1 262 . 1 1 A 21 21 PRO HA H 21 4.169 4.313 -0.144 2
1 269 . 1 1 A 21 21 PRO C C 21 177.812 178.987 -1.175 2
1 270 . 1 1 A 21 21 PRO CA C 21 65.630 65.493 0.137 2
1 271 . 1 1 A 21 21 PRO CB C 21 31.220 30.973 0.247 2
1 274 . 1 1 A 22 22 ILE H H 22 7.120 7.138 -0.018 2
1 275 . 1 1 A 22 22 ILE HA H 22 3.622 3.735 -0.113 2
1 285 . 1 1 A 22 22 ILE C C 22 179.561 178.011 1.550 2
1 286 . 1 1 A 22 22 ILE CA C 22 64.640 63.945 0.695 2
1 287 . 1 1 A 22 22 ILE CB C 22 37.200 37.262 -0.062 2
1 291 . 1 1 A 22 22 ILE N N 22 117.089 116.894 0.195 2
1 292 . 1 1 A 23 23 PHE H H 23 7.411 7.740 -0.329 2
1 293 . 1 1 A 23 23 PHE HA H 23 3.919 4.288 -0.369 2
1 301 . 1 1 A 23 23 PHE C C 23 178.486 178.197 0.289 2
1 302 . 1 1 A 23 23 PHE CA C 23 63.450 60.784 2.666 2
1 303 . 1 1 A 23 23 PHE CB C 23 38.740 38.812 -0.072 2
1 309 . 1 1 A 23 23 PHE N N 23 118.753 118.731 0.022 2
1 310 . 1 1 A 24 24 ILE H H 24 8.077 8.441 -0.364 2
1 311 . 1 1 A 24 24 ILE HA H 24 3.503 3.750 -0.247 2
1 321 . 1 1 A 24 24 ILE C C 24 180.431 177.996 2.435 2
1 322 . 1 1 A 24 24 ILE CA C 24 64.997 65.612 -0.615 2
1 323 . 1 1 A 24 24 ILE CB C 24 38.110 37.773 0.337 2
1 327 . 1 1 A 24 24 ILE N N 24 120.410 119.809 0.601 2
1 328 . 1 1 A 25 25 ASN H H 25 8.971 8.490 0.481 2
1 329 . 1 1 A 25 25 ASN HA H 25 4.453 4.405 0.048 2
1 334 . 1 1 A 25 25 ASN C C 25 176.784 177.061 -0.277 2
1 335 . 1 1 A 25 25 ASN CA C 25 55.321 56.729 -1.408 2
1 336 . 1 1 A 25 25 ASN CB C 25 37.880 39.665 -1.785 2
1 337 . 1 1 A 25 25 ASN N N 25 120.191 119.731 0.460 2
1 339 . 1 1 A 26 26 ASN H H 26 7.315 7.793 -0.478 2
1 340 . 1 1 A 26 26 ASN HA H 26 4.601 4.759 -0.158 2
1 345 . 1 1 A 26 26 ASN C C 26 173.732 175.586 -1.854 2
1 346 . 1 1 A 26 26 ASN CA C 26 54.840 53.200 1.640 2
1 347 . 1 1 A 26 26 ASN CB C 26 40.890 39.026 1.865 2
1 348 . 1 1 A 26 26 ASN N N 26 116.500 114.889 1.611 2
1 350 . 1 1 A 27 27 GLY H H 27 7.880 7.940 -0.060 2
1 351 . 1 1 A 27 27 GLY HA2 H 27 4.305 3.913 0.392 2
1 352 . 1 1 A 27 27 GLY HA3 H 27 3.570 3.971 -0.401 2
1 353 . 1 1 A 27 27 GLY CA C 27 45.308 45.100 0.208 2
1 354 . 1 1 A 27 27 GLY N N 27 104.918 106.616 -1.698 2
1 355 . 1 1 A 28 28 MET H H 28 7.948 7.932 0.016 2
1 356 . 1 1 A 28 28 MET HA H 28 4.190 4.455 -0.265 2
1 364 . 1 1 A 28 28 MET C C 28 174.147 175.008 -0.861 2
1 365 . 1 1 A 28 28 MET CA C 28 54.335 55.773 -1.438 2
1 366 . 1 1 A 28 28 MET CB C 28 31.978 33.608 -1.630 2
1 369 . 1 1 A 28 28 MET N N 28 120.940 120.418 0.522 2
1 370 . 1 1 A 29 29 HIS H H 29 7.994 8.634 -0.640 2
1 371 . 1 1 A 29 29 HIS HA H 29 4.592 5.066 -0.474 2
1 375 . 1 1 A 29 29 HIS C C 29 177.664 174.429 3.235 2
1 376 . 1 1 A 29 29 HIS CA C 29 56.178 54.656 1.522 2
1 377 . 1 1 A 29 29 HIS CB C 29 30.190 31.782 -1.592 2
1 378 . 1 1 A 29 29 HIS N N 29 121.779 119.166 2.613 2
1 379 . 1 1 A 30 30 CYS H H 30 7.867 8.575 -0.708 2
1 380 . 1 1 A 30 30 CYS HA H 30 4.555 4.444 0.111 2
1 383 . 1 1 A 30 30 CYS C C 30 174.265 174.191 0.074 2
1 384 . 1 1 A 30 30 CYS CA C 30 57.398 59.186 -1.788 2
1 385 . 1 1 A 30 30 CYS CB C 30 28.234 28.033 0.201 2
1 386 . 1 1 A 30 30 CYS N N 30 116.200 122.330 -6.130 2
1 387 . 1 1 A 31 31 LEU H H 31 7.845 8.175 -0.330 2
1 388 . 1 1 A 31 31 LEU HA H 31 4.045 4.473 -0.428 2
1 398 . 1 1 A 31 31 LEU C C 31 177.285 176.740 0.545 2
1 399 . 1 1 A 31 31 LEU CA C 31 56.415 54.685 1.730 2
1 400 . 1 1 A 31 31 LEU CB C 31 41.172 42.842 -1.670 2
1 404 . 1 1 A 31 31 LEU N N 31 122.518 124.317 -1.799 2
1 405 . 1 1 A 32 32 GLY H H 32 8.292 8.583 -0.291 2
1 406 . 1 1 A 32 32 GLY HA2 H 32 3.852 3.957 -0.105 2
1 407 . 1 1 A 32 32 GLY HA3 H 32 3.852 3.973 -0.121 2
1 408 . 1 1 A 32 32 GLY C C 32 173.868 174.130 -0.262 2
1 409 . 1 1 A 32 32 GLY CA C 32 45.182 46.234 -1.052 2
1 410 . 1 1 A 32 32 GLY N N 32 108.193 112.485 -4.292 2
1 411 . 1 1 A 33 33 CYS H H 33 7.747 7.947 -0.200 2
1 412 . 1 1 A 33 33 CYS HA H 33 4.826 4.692 0.134 2
1 415 . 1 1 A 33 33 CYS CA C 33 56.005 57.425 -1.420 2
1 416 . 1 1 A 33 33 CYS CB C 33 27.330 28.668 -1.338 2
1 417 . 1 1 A 33 33 CYS N N 33 120.574 119.759 0.815 2
1 418 . 1 1 A 34 34 PRO HA H 34 4.179 4.311 -0.132 2
1 425 . 1 1 A 34 34 PRO C C 34 178.582 177.945 0.637 2
1 426 . 1 1 A 34 34 PRO CA C 34 65.610 65.050 0.560 2
1 427 . 1 1 A 34 34 PRO CB C 34 32.071 31.825 0.246 2
1 430 . 1 1 A 35 35 SER H H 35 8.315 8.279 0.036 2
1 431 . 1 1 A 35 35 SER HA H 35 4.209 4.249 -0.040 2
1 434 . 1 1 A 35 35 SER C C 35 177.910 176.190 1.720 2
1 435 . 1 1 A 35 35 SER CA C 35 60.704 60.937 -0.233 2
1 436 . 1 1 A 35 35 SER CB C 35 62.590 62.695 -0.105 2
1 437 . 1 1 A 35 35 SER N N 35 112.899 113.058 -0.158 2
1 438 . 1 1 A 36 36 SER H H 36 7.903 8.003 -0.100 2
1 439 . 1 1 A 36 36 SER HA H 36 4.432 4.377 0.055 2
1 442 . 1 1 A 36 36 SER C C 36 175.084 175.763 -0.679 2
1 443 . 1 1 A 36 36 SER CA C 36 60.336 60.268 0.068 2
1 444 . 1 1 A 36 36 SER CB C 36 63.920 63.391 0.529 2
1 445 . 1 1 A 36 36 SER N N 36 117.747 115.752 1.995 2
1 446 . 1 1 A 37 37 MET H H 37 7.646 7.875 -0.229 2
1 447 . 1 1 A 37 37 MET HA H 37 4.114 4.291 -0.177 2
1 455 . 1 1 A 37 37 MET C C 37 175.617 178.076 -2.459 2
1 456 . 1 1 A 37 37 MET CA C 37 56.922 57.527 -0.605 2
1 457 . 1 1 A 37 37 MET CB C 37 32.891 33.186 -0.295 2
1 460 . 1 1 A 37 37 MET N N 37 117.790 119.277 -1.487 2
1 461 . 1 1 A 38 38 GLY H H 38 7.742 8.024 -0.282 2
1 462 . 1 1 A 38 38 GLY HA2 H 38 4.156 3.920 0.236 2
1 463 . 1 1 A 38 38 GLY HA3 H 38 3.623 3.925 -0.302 2
1 464 . 1 1 A 38 38 GLY C C 38 174.147 174.236 -0.089 2
1 465 . 1 1 A 38 38 GLY CA C 38 45.260 45.727 -0.467 2
1 466 . 1 1 A 38 38 GLY N N 38 104.897 107.560 -2.663 2
1 467 . 1 1 A 39 39 GLU H H 39 7.288 7.541 -0.253 2
1 468 . 1 1 A 39 39 GLU HA H 39 4.539 4.671 -0.132 2
1 473 . 1 1 A 39 39 GLU C C 39 173.845 176.055 -2.210 2
1 474 . 1 1 A 39 39 GLU CA C 39 54.885 55.252 -0.367 2
1 475 . 1 1 A 39 39 GLU CB C 39 31.980 31.096 0.884 2
1 477 . 1 1 A 39 39 GLU N N 39 119.469 120.227 -0.758 2
1 478 . 1 1 A 40 40 SER H H 40 9.174 8.835 0.339 2
1 479 . 1 1 A 40 40 SER HA H 40 4.847 4.793 0.054 2
1 482 . 1 1 A 40 40 SER C C 40 175.082 175.941 -0.859 2
1 483 . 1 1 A 40 40 SER CA C 40 56.757 58.359 -1.602 2
1 484 . 1 1 A 40 40 SER CB C 40 65.397 64.418 0.979 2
1 485 . 1 1 A 40 40 SER N N 40 115.819 116.819 -1.000 2
1 486 . 1 1 A 41 41 ILE H H 41 8.739 8.982 -0.243 2
1 487 . 1 1 A 41 41 ILE HA H 41 3.512 3.788 -0.275 2
1 497 . 1 1 A 41 41 ILE C C 41 178.832 177.733 1.099 2
1 498 . 1 1 A 41 41 ILE CA C 41 67.190 65.687 1.503 2
1 499 . 1 1 A 41 41 ILE CB C 41 38.460 38.040 0.420 2
1 503 . 1 1 A 41 41 ILE N N 41 121.236 123.826 -2.590 2
1 504 . 1 1 A 42 42 GLU H H 42 8.932 8.671 0.261 2
1 505 . 1 1 A 42 42 GLU HA H 42 3.826 4.056 -0.230 2
1 510 . 1 1 A 42 42 GLU C C 42 178.134 178.516 -0.382 2
1 511 . 1 1 A 42 42 GLU CA C 42 59.860 59.200 0.660 2
1 512 . 1 1 A 42 42 GLU CB C 42 29.286 29.105 0.181 2
1 514 . 1 1 A 42 42 GLU N N 42 117.512 120.136 -2.624 2
1 515 . 1 1 A 43 43 ASP H H 43 8.090 8.097 -0.007 2
1 516 . 1 1 A 43 43 ASP HA H 43 4.428 4.367 0.061 2
1 519 . 1 1 A 43 43 ASP C C 43 179.021 178.126 0.895 2
1 520 . 1 1 A 43 43 ASP CA C 43 57.460 57.575 -0.114 2
1 521 . 1 1 A 43 43 ASP CB C 43 39.485 41.241 -1.756 2
1 522 . 1 1 A 43 43 ASP N N 43 122.750 120.655 2.095 2
1 523 . 1 1 A 44 44 ALA H H 44 8.807 8.280 0.527 2
1 524 . 1 1 A 44 44 ALA HA H 44 4.242 4.112 0.130 2
1 528 . 1 1 A 44 44 ALA C C 44 181.423 180.000 1.423 2
1 529 . 1 1 A 44 44 ALA CA C 44 55.260 55.142 0.118 2
1 530 . 1 1 A 44 44 ALA CB C 44 19.775 18.085 1.690 2
1 531 . 1 1 A 44 44 ALA N N 44 123.434 120.961 2.473 2
1 532 . 1 1 A 45 45 CYS H H 45 8.663 8.308 0.355 2
1 533 . 1 1 A 45 45 CYS HA H 45 4.039 4.179 -0.140 2
1 536 . 1 1 A 45 45 CYS C C 45 176.954 177.126 -0.172 2
1 537 . 1 1 A 45 45 CYS CA C 45 65.300 62.901 2.399 2
1 538 . 1 1 A 45 45 CYS CB C 45 26.940 26.364 0.576 2
1 539 . 1 1 A 45 45 CYS N N 45 115.424 116.317 -0.893 2
1 540 . 1 1 A 46 46 ALA H H 46 7.844 8.004 -0.160 2
1 541 . 1 1 A 46 46 ALA HA H 46 4.274 4.078 0.196 2
1 545 . 1 1 A 46 46 ALA C C 46 180.730 180.342 0.388 2
1 546 . 1 1 A 46 46 ALA CA C 46 55.127 55.137 -0.010 2
1 547 . 1 1 A 46 46 ALA CB C 46 18.020 18.270 -0.250 2
1 548 . 1 1 A 46 46 ALA N N 46 122.366 122.573 -0.208 2
1 549 . 1 1 A 47 47 VAL H H 47 7.503 7.782 -0.279 2
1 550 . 1 1 A 47 47 VAL HA H 47 3.690 3.647 0.043 2
1 558 . 1 1 A 47 47 VAL C C 47 177.652 177.400 0.252 2
1 559 . 1 1 A 47 47 VAL CA C 47 65.530 66.480 -0.950 2
1 560 . 1 1 A 47 47 VAL CB C 47 32.140 31.765 0.375 2
1 563 . 1 1 A 47 47 VAL N N 47 116.850 119.069 -2.219 2
1 564 . 1 1 A 48 48 HIS H H 48 7.496 7.635 -0.139 2
1 565 . 1 1 A 48 48 HIS HA H 48 4.629 4.627 0.002 2
1 569 . 1 1 A 48 48 HIS C C 48 174.865 175.344 -0.479 2
1 570 . 1 1 A 48 48 HIS CA C 48 56.985 56.812 0.173 2
1 571 . 1 1 A 48 48 HIS CB C 48 31.033 30.288 0.745 2
1 573 . 1 1 A 48 48 HIS N N 48 114.271 118.224 -3.953 2
1 574 . 1 1 A 49 49 GLY H H 49 7.846 8.004 -0.158 2
1 575 . 1 1 A 49 49 GLY HA2 H 49 4.002 3.856 0.146 2
1 576 . 1 1 A 49 49 GLY HA3 H 49 4.002 3.881 0.121 2
1 577 . 1 1 A 49 49 GLY C C 49 174.536 174.795 -0.259 2
1 578 . 1 1 A 49 49 GLY CA C 49 47.189 46.459 0.730 2
1 579 . 1 1 A 49 49 GLY N N 49 110.669 108.285 2.384 2
1 580 . 1 1 A 50 50 ILE H H 50 8.126 8.432 -0.306 2
1 581 . 1 1 A 50 50 ILE HA H 50 4.295 4.260 0.035 2
1 591 . 1 1 A 50 50 ILE C C 50 175.038 175.248 -0.210 2
1 592 . 1 1 A 50 50 ILE CA C 50 59.759 60.708 -0.949 2
1 593 . 1 1 A 50 50 ILE CB C 50 41.222 38.879 2.343 2
1 597 . 1 1 A 50 50 ILE N N 50 119.905 121.446 -1.541 2
1 598 . 1 1 A 51 51 ASP H H 51 8.497 8.591 -0.094 2
1 599 . 1 1 A 51 51 ASP HA H 51 4.523 4.761 -0.238 2
1 602 . 1 1 A 51 51 ASP C C 51 175.978 176.694 -0.716 2
1 603 . 1 1 A 51 51 ASP CA C 51 54.100 53.021 1.079 2
1 604 . 1 1 A 51 51 ASP CB C 51 40.990 40.459 0.531 2
1 605 . 1 1 A 51 51 ASP N N 51 124.951 126.082 -1.132 2
1 606 . 1 1 A 52 52 ALA H H 52 8.791 8.869 -0.078 2
1 607 . 1 1 A 52 52 ALA HA H 52 4.329 4.045 0.284 2
1 611 . 1 1 A 52 52 ALA CA C 52 55.070 55.151 -0.081 2
1 612 . 1 1 A 52 52 ALA CB C 52 19.480 18.340 1.139 2
1 613 . 1 1 A 52 52 ALA N N 52 131.766 128.894 2.872 2
1 614 . 1 1 A 53 53 ASP H H 53 8.082 8.176 -0.094 2
1 615 . 1 1 A 53 53 ASP HA H 53 4.321 4.336 -0.015 2
1 618 . 1 1 A 53 53 ASP CA C 53 57.500 57.965 -0.465 2
1 619 . 1 1 A 53 53 ASP CB C 53 39.940 41.945 -2.005 2
1 620 . 1 1 A 53 53 ASP N N 53 116.960 118.519 -1.559 2
1 621 . 1 1 A 54 54 LYS H H 54 7.762 7.783 -0.021 2
1 622 . 1 1 A 54 54 LYS HA H 54 3.958 4.077 -0.119 2
1 631 . 1 1 A 54 54 LYS C C 54 177.748 178.941 -1.193 2
1 632 . 1 1 A 54 54 LYS CA C 54 59.355 59.374 -0.019 2
1 633 . 1 1 A 54 54 LYS CB C 54 32.920 32.305 0.615 2
1 637 . 1 1 A 54 54 LYS N N 54 123.420 118.554 4.866 2
1 638 . 1 1 A 55 55 LEU H H 55 7.337 7.847 -0.510 2
1 639 . 1 1 A 55 55 LEU HA H 55 3.822 3.958 -0.136 2
1 649 . 1 1 A 55 55 LEU C C 55 177.966 178.379 -0.413 2
1 650 . 1 1 A 55 55 LEU CA C 55 58.258 58.359 -0.101 2
1 651 . 1 1 A 55 55 LEU CB C 55 41.908 41.606 0.302 2
1 655 . 1 1 A 55 55 LEU N N 55 119.522 121.724 -2.202 2
1 656 . 1 1 A 56 56 VAL H H 56 8.503 8.383 0.120 2
1 657 . 1 1 A 56 56 VAL HA H 56 3.378 3.503 -0.125 2
1 665 . 1 1 A 56 56 VAL C C 56 177.576 177.920 -0.344 2
1 666 . 1 1 A 56 56 VAL CA C 56 67.460 66.847 0.613 2
1 667 . 1 1 A 56 56 VAL CB C 56 31.560 31.379 0.181 2
1 670 . 1 1 A 56 56 VAL N N 56 117.548 119.295 -1.747 2
1 671 . 1 1 A 57 57 LYS H H 57 8.003 7.639 0.364 2
1 672 . 1 1 A 57 57 LYS HA H 57 4.200 3.899 0.301 2
1 681 . 1 1 A 57 57 LYS C C 57 179.196 179.916 -0.720 2
1 682 . 1 1 A 57 57 LYS CA C 57 60.130 60.303 -0.173 2
1 683 . 1 1 A 57 57 LYS CB C 57 32.383 32.184 0.199 2
1 687 . 1 1 A 57 57 LYS N N 57 122.289 118.852 3.437 2
1 688 . 1 1 A 58 58 GLU H H 58 8.035 8.106 -0.071 2
1 689 . 1 1 A 58 58 GLU HA H 58 4.010 4.037 -0.027 2
1 694 . 1 1 A 58 58 GLU CA C 58 59.975 59.036 0.939 2
1 695 . 1 1 A 58 58 GLU CB C 58 29.430 29.258 0.172 2
1 697 . 1 1 A 58 58 GLU N N 58 119.482 120.483 -1.001 2
1 698 . 1 1 A 59 59 LEU H H 59 8.560 8.193 0.367 2
1 699 . 1 1 A 59 59 LEU HA H 59 3.998 3.902 0.096 2
1 709 . 1 1 A 59 59 LEU C C 59 178.239 179.200 -0.961 2
1 710 . 1 1 A 59 59 LEU CA C 59 58.200 57.893 0.307 2
1 711 . 1 1 A 59 59 LEU CB C 59 42.695 41.614 1.081 2
1 715 . 1 1 A 59 59 LEU N N 59 121.725 120.559 1.166 2
1 716 . 1 1 A 60 60 ASN H H 60 8.684 8.701 -0.018 2
1 717 . 1 1 A 60 60 ASN HA H 60 4.806 4.608 0.198 2
1 722 . 1 1 A 60 60 ASN C C 60 178.495 178.339 0.156 2
1 723 . 1 1 A 60 60 ASN CA C 60 57.895 56.673 1.222 2
1 724 . 1 1 A 60 60 ASN CB C 60 38.528 38.039 0.489 2
1 725 . 1 1 A 60 60 ASN N N 60 117.410 117.630 -0.220 2
1 727 . 1 1 A 61 61 GLU H H 61 8.602 8.430 0.172 2
1 728 . 1 1 A 61 61 GLU HA H 61 4.040 4.137 -0.097 2
1 733 . 1 1 A 61 61 GLU C C 61 178.325 178.699 -0.374 2
1 734 . 1 1 A 61 61 GLU CA C 61 59.814 59.411 0.403 2
1 735 . 1 1 A 61 61 GLU CB C 61 29.610 29.442 0.168 2
1 737 . 1 1 A 61 61 GLU N N 61 121.480 119.512 1.968 2
1 738 . 1 1 A 62 62 TYR H H 62 7.698 7.864 -0.166 2
1 739 . 1 1 A 62 62 TYR HA H 62 3.978 4.202 -0.224 2
1 746 . 1 1 A 62 62 TYR C C 62 177.947 177.568 0.379 2
1 747 . 1 1 A 62 62 TYR CA C 62 61.600 61.363 0.237 2
1 748 . 1 1 A 62 62 TYR CB C 62 37.513 38.183 -0.670 2
1 753 . 1 1 A 62 62 TYR N N 62 120.683 121.489 -0.806 2
1 754 . 1 1 A 63 63 PHE H H 63 7.982 8.026 -0.044 2
1 755 . 1 1 A 63 63 PHE HA H 63 3.932 4.036 -0.104 2
1 763 . 1 1 A 63 63 PHE CA C 63 63.262 62.303 0.959 2
1 764 . 1 1 A 63 63 PHE CB C 63 39.120 38.454 0.666 2
1 770 . 1 1 A 63 63 PHE N N 63 117.730 118.228 -0.498 2
1 771 . 1 1 A 64 64 GLU H H 64 8.554 8.289 0.265 2
1 772 . 1 1 A 64 64 GLU HA H 64 4.095 4.024 0.071 2
1 777 . 1 1 A 64 64 GLU C C 64 178.921 179.373 -0.452 2
1 778 . 1 1 A 64 64 GLU CA C 64 59.322 59.805 -0.483 2
1 779 . 1 1 A 64 64 GLU CB C 64 29.670 29.175 0.495 2
1 781 . 1 1 A 64 64 GLU N N 64 121.392 120.014 1.378 2
1 782 . 1 1 A 65 65 LYS H H 65 7.850 7.767 0.083 2
1 783 . 1 1 A 65 65 LYS HA H 65 3.982 4.051 -0.069 2
1 792 . 1 1 A 65 65 LYS C C 65 178.374 179.228 -0.854 2
1 793 . 1 1 A 65 65 LYS CA C 65 58.638 59.427 -0.789 2
1 794 . 1 1 A 65 65 LYS CB C 65 32.110 32.114 -0.004 2
1 798 . 1 1 A 65 65 LYS N N 65 118.746 119.875 -1.129 2
1 799 . 1 1 A 66 66 LYS H H 66 7.503 7.556 -0.053 2
1 800 . 1 1 A 66 66 LYS HA H 66 3.880 3.830 0.050 2
1 809 . 1 1 A 66 66 LYS C C 66 177.925 179.621 -1.696 2
1 810 . 1 1 A 66 66 LYS CA C 66 58.590 59.905 -1.315 2
1 811 . 1 1 A 66 66 LYS CB C 66 32.560 32.034 0.526 2
1 815 . 1 1 A 66 66 LYS N N 66 119.241 119.769 -0.528 2
1 816 . 1 1 A 67 67 GLU H H 67 7.876 8.102 -0.226 2
1 817 . 1 1 A 67 67 GLU HA H 67 4.097 4.062 0.035 2
1 822 . 1 1 A 67 67 GLU C C 67 178.016 178.483 -0.467 2
1 823 . 1 1 A 67 67 GLU CA C 67 58.280 58.819 -0.539 2
1 824 . 1 1 A 67 67 GLU CB C 67 29.802 29.407 0.395 2
1 826 . 1 1 A 67 67 GLU N N 67 119.096 120.024 -0.928 2
1 827 . 1 1 A 68 68 VAL H H 68 7.719 7.440 0.279 2
1 828 . 1 1 A 68 68 VAL HA H 68 3.797 3.727 0.070 2
1 836 . 1 1 A 68 68 VAL C C 68 177.668 177.958 -0.290 2
1 837 . 1 1 A 68 68 VAL CA C 68 64.600 65.624 -1.024 2
1 838 . 1 1 A 68 68 VAL CB C 68 32.050 31.862 0.188 2
1 841 . 1 1 A 68 68 VAL N N 68 119.409 120.493 -1.084 2
1 842 . 1 1 A 69 69 LEU H H 69 7.911 8.325 -0.414 2
1 843 . 1 1 A 69 69 LEU HA H 69 4.127 3.845 0.282 2
1 853 . 1 1 A 69 69 LEU C C 69 178.438 178.829 -0.391 2
1 854 . 1 1 A 69 69 LEU CA C 69 56.461 58.278 -1.817 2
1 855 . 1 1 A 69 69 LEU CB C 69 42.153 41.559 0.594 2
1 859 . 1 1 A 69 69 LEU N N 69 122.199 119.103 3.096 2
stop_
save_