data_15661_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15661
_Entry.PDB_ID 2K0Z
_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 LEU H H 2 8.858 7.717 1.141 1
1 15 . 1 1 1 A 2 2 LEU HA H 2 4.010 4.013 -0.003 1
1 25 . 1 1 1 A 2 2 LEU C C 2 179.512 178.339 1.173 1
1 26 . 1 1 1 A 2 2 LEU CA C 2 57.230 55.630 1.600 1
1 27 . 1 1 1 A 2 2 LEU CB C 2 41.500 40.646 0.854 1
1 31 . 1 1 1 A 2 2 LEU N N 2 124.589 117.190 7.399 1
1 32 . 1 1 1 A 3 3 GLU H H 3 9.299 8.065 1.234 1
1 33 . 1 1 1 A 3 3 GLU HA H 3 4.234 4.096 0.138 1
1 38 . 1 1 1 A 3 3 GLU C C 3 178.189 178.972 -0.783 1
1 39 . 1 1 1 A 3 3 GLU CA C 3 59.930 60.033 -0.103 1
1 40 . 1 1 1 A 3 3 GLU CB C 3 28.810 29.187 -0.377 1
1 42 . 1 1 1 A 3 3 GLU N N 3 118.833 118.776 0.057 1
1 43 . 1 1 1 A 4 4 ASP H H 4 8.188 7.730 0.458 1
1 44 . 1 1 1 A 4 4 ASP HA H 4 4.524 4.529 -0.005 1
1 47 . 1 1 1 A 4 4 ASP C C 4 176.722 177.667 -0.945 1
1 48 . 1 1 1 A 4 4 ASP CA C 4 56.240 56.947 -0.707 1
1 49 . 1 1 1 A 4 4 ASP CB C 4 39.910 41.053 -1.143 1
1 50 . 1 1 1 A 4 4 ASP N N 4 118.286 119.081 -0.795 1
1 51 . 1 1 1 A 5 5 TYR H H 5 8.336 7.861 0.475 1
1 52 . 1 1 1 A 5 5 TYR HA H 5 4.284 4.698 -0.414 1
1 59 . 1 1 1 A 5 5 TYR C C 5 172.456 175.983 -3.527 1
1 60 . 1 1 1 A 5 5 TYR CA C 5 58.770 59.209 -0.439 1
1 61 . 1 1 1 A 5 5 TYR CB C 5 37.820 37.867 -0.047 1
1 64 . 1 1 1 A 5 5 TYR N N 5 119.641 117.023 2.618 1
1 65 . 1 1 1 A 6 6 ALA H H 6 6.748 7.404 -0.656 1
1 66 . 1 1 1 A 6 6 ALA HA H 6 3.470 3.294 0.176 1
1 70 . 1 1 1 A 6 6 ALA C C 6 178.122 176.104 2.018 1
1 71 . 1 1 1 A 6 6 ALA CA C 6 51.440 51.226 0.214 1
1 72 . 1 1 1 A 6 6 ALA CB C 6 19.600 18.247 1.353 1
1 73 . 1 1 1 A 6 6 ALA N N 6 122.727 123.239 -0.512 1
1 74 . 1 1 1 A 7 7 ILE H H 7 8.665 8.027 0.638 1
1 75 . 1 1 1 A 7 7 ILE HA H 7 4.303 4.433 -0.130 1
1 85 . 1 1 1 A 7 7 ILE C C 7 174.386 175.586 -1.200 1
1 86 . 1 1 1 A 7 7 ILE CA C 7 58.640 60.642 -2.002 1
1 87 . 1 1 1 A 7 7 ILE CB C 7 39.820 37.767 2.053 1
1 91 . 1 1 1 A 7 7 ILE N N 7 124.318 123.865 0.453 1
1 92 . 1 1 1 A 8 8 SER H H 8 8.884 8.842 0.042 1
1 93 . 1 1 1 A 8 8 SER HA H 8 4.881 4.569 0.312 1
1 96 . 1 1 1 A 8 8 SER C C 8 176.268 175.432 0.836 1
1 97 . 1 1 1 A 8 8 SER CA C 8 57.157 57.795 -0.638 1
1 98 . 1 1 1 A 8 8 SER CB C 8 64.390 64.739 -0.349 1
1 99 . 1 1 1 A 8 8 SER N N 8 122.739 122.791 -0.052 1
1 100 . 1 1 1 A 9 9 LEU H H 9 8.077 8.752 -0.675 1
1 101 . 1 1 1 A 9 9 LEU HA H 9 3.652 4.049 -0.397 1
1 111 . 1 1 1 A 9 9 LEU C C 9 175.322 178.182 -2.860 1
1 112 . 1 1 1 A 9 9 LEU CA C 9 57.190 57.733 -0.543 1
1 113 . 1 1 1 A 9 9 LEU CB C 9 42.290 41.483 0.807 1
1 117 . 1 1 1 A 9 9 LEU N N 9 126.321 128.077 -1.756 1
1 118 . 1 1 1 A 10 10 GLU H H 10 8.361 9.050 -0.689 1
1 119 . 1 1 1 A 10 10 GLU HA H 10 3.754 4.487 -0.733 1
1 124 . 1 1 1 A 10 10 GLU C C 10 176.452 177.424 -0.972 1
1 125 . 1 1 1 A 10 10 GLU CA C 10 58.470 57.969 0.501 1
1 126 . 1 1 1 A 10 10 GLU CB C 10 29.480 29.077 0.403 1
1 128 . 1 1 1 A 10 10 GLU N N 10 112.911 116.607 -3.696 1
1 129 . 1 1 1 A 11 11 GLU H H 11 7.284 7.973 -0.689 1
1 130 . 1 1 1 A 11 11 GLU HA H 11 4.531 4.570 -0.039 1
1 135 . 1 1 1 A 11 11 GLU C C 11 176.539 176.155 0.384 1
1 136 . 1 1 1 A 11 11 GLU CA C 11 55.240 56.160 -0.920 1
1 137 . 1 1 1 A 11 11 GLU CB C 11 32.160 31.042 1.118 1
1 139 . 1 1 1 A 11 11 GLU N N 11 114.276 115.769 -1.493 1
1 140 . 1 1 1 A 12 12 VAL H H 12 7.077 7.345 -0.268 1
1 141 . 1 1 1 A 12 12 VAL HA H 12 3.677 3.971 -0.294 1
1 149 . 1 1 1 A 12 12 VAL C C 12 173.900 174.915 -1.015 1
1 150 . 1 1 1 A 12 12 VAL CA C 12 62.510 62.064 0.446 1
1 151 . 1 1 1 A 12 12 VAL CB C 12 31.920 31.960 -0.040 1
1 154 . 1 1 1 A 12 12 VAL N N 12 121.932 121.119 0.813 1
1 155 . 1 1 1 A 13 13 ASN H H 13 7.996 8.605 -0.609 1
1 156 . 1 1 1 A 13 13 ASN HA H 13 4.840 5.295 -0.455 1
1 161 . 1 1 1 A 13 13 ASN C C 13 176.876 175.174 1.702 1
1 162 . 1 1 1 A 13 13 ASN CA C 13 52.168 51.788 0.380 1
1 163 . 1 1 1 A 13 13 ASN CB C 13 38.500 39.646 -1.146 1
1 164 . 1 1 1 A 13 13 ASN N N 13 121.232 125.813 -4.581 1
1 166 . 1 1 1 A 14 14 PHE H H 14 6.268 7.810 -1.542 1
1 167 . 1 1 1 A 14 14 PHE HA H 14 3.868 4.225 -0.357 1
1 175 . 1 1 1 A 14 14 PHE C C 14 176.423 177.913 -1.490 1
1 176 . 1 1 1 A 14 14 PHE CA C 14 62.520 60.460 2.060 1
1 177 . 1 1 1 A 14 14 PHE CB C 14 38.780 38.545 0.235 1
1 181 . 1 1 1 A 14 14 PHE N N 14 120.637 121.634 -0.997 1
1 182 . 1 1 1 A 15 15 ASN H H 15 8.184 8.784 -0.600 1
1 183 . 1 1 1 A 15 15 ASN HA H 15 4.602 4.477 0.125 1
1 188 . 1 1 1 A 15 15 ASN C C 15 175.738 178.354 -2.616 1
1 189 . 1 1 1 A 15 15 ASN CA C 15 55.240 55.945 -0.705 1
1 190 . 1 1 1 A 15 15 ASN CB C 15 38.270 37.529 0.741 1
1 191 . 1 1 1 A 15 15 ASN N N 15 113.599 116.432 -2.833 1
1 193 . 1 1 1 A 16 16 ASP H H 16 7.680 7.382 0.298 1
1 194 . 1 1 1 A 16 16 ASP HA H 16 4.450 4.196 0.254 1
1 197 . 1 1 1 A 16 16 ASP C C 16 174.589 175.371 -0.782 1
1 198 . 1 1 1 A 16 16 ASP CA C 16 54.860 55.710 -0.850 1
1 199 . 1 1 1 A 16 16 ASP CB C 16 41.140 40.427 0.713 1
1 200 . 1 1 1 A 16 16 ASP N N 16 117.808 118.650 -0.842 1
1 201 . 1 1 1 A 17 17 PHE H H 17 7.648 7.141 0.507 1
1 202 . 1 1 1 A 17 17 PHE HA H 17 4.788 5.114 -0.326 1
1 210 . 1 1 1 A 17 17 PHE C C 17 175.516 175.277 0.239 1
1 211 . 1 1 1 A 17 17 PHE CA C 17 56.790 56.841 -0.051 1
1 212 . 1 1 1 A 17 17 PHE CB C 17 44.090 42.005 2.085 1
1 216 . 1 1 1 A 17 17 PHE N N 17 116.207 115.893 0.314 1
1 217 . 1 1 1 A 18 18 ILE H H 18 8.674 9.189 -0.515 1
1 218 . 1 1 1 A 18 18 ILE HA H 18 4.335 4.664 -0.329 1
1 228 . 1 1 1 A 18 18 ILE C C 18 175.612 175.761 -0.149 1
1 229 . 1 1 1 A 18 18 ILE CA C 18 60.930 61.010 -0.080 1
1 230 . 1 1 1 A 18 18 ILE CB C 18 37.620 38.044 -0.424 1
1 234 . 1 1 1 A 18 18 ILE N N 18 121.498 122.411 -0.913 1
1 235 . 1 1 1 A 19 19 VAL H H 19 9.009 8.326 0.683 1
1 236 . 1 1 1 A 19 19 VAL HA H 19 4.760 4.793 -0.033 1
1 244 . 1 1 1 A 19 19 VAL C C 19 175.622 175.526 0.096 1
1 245 . 1 1 1 A 19 19 VAL CA C 19 62.974 61.715 1.259 1
1 246 . 1 1 1 A 19 19 VAL CB C 19 32.770 32.555 0.215 1
1 249 . 1 1 1 A 19 19 VAL N N 19 129.378 128.530 0.848 1
1 250 . 1 1 1 A 20 20 VAL H H 20 9.606 9.012 0.594 1
1 251 . 1 1 1 A 20 20 VAL HA H 20 4.581 4.547 0.034 1
1 259 . 1 1 1 A 20 20 VAL C C 20 172.234 174.765 -2.531 1
1 260 . 1 1 1 A 20 20 VAL CA C 20 60.660 60.779 -0.119 1
1 261 . 1 1 1 A 20 20 VAL CB C 20 33.910 35.092 -1.182 1
1 264 . 1 1 1 A 20 20 VAL N N 20 131.965 127.282 4.683 1
1 265 . 1 1 1 A 21 21 ASP H H 21 8.367 8.846 -0.479 1
1 266 . 1 1 1 A 21 21 ASP HA H 21 4.105 4.412 -0.307 1
1 269 . 1 1 1 A 21 21 ASP C C 21 176.182 175.341 0.841 1
1 270 . 1 1 1 A 21 21 ASP CA C 21 50.850 53.250 -2.400 1
1 271 . 1 1 1 A 21 21 ASP CB C 21 43.460 40.918 2.542 1
1 272 . 1 1 1 A 21 21 ASP N N 21 129.516 127.779 1.737 1
1 273 . 1 1 1 A 22 22 VAL H H 22 8.095 8.031 0.064 1
1 274 . 1 1 1 A 22 22 VAL HA H 22 5.720 5.100 0.620 1
1 282 . 1 1 1 A 22 22 VAL C C 22 178.006 174.644 3.362 1
1 283 . 1 1 1 A 22 22 VAL CA C 22 58.990 61.235 -2.245 1
1 284 . 1 1 1 A 22 22 VAL CB C 22 30.150 31.416 -1.266 1
1 287 . 1 1 1 A 22 22 VAL N N 22 114.833 120.646 -5.813 1
1 288 . 1 1 1 A 23 23 ARG H H 23 7.467 8.119 -0.652 1
1 289 . 1 1 1 A 23 23 ARG HA H 23 4.358 4.528 -0.170 1
1 299 . 1 1 1 A 23 23 ARG C C 23 172.157 176.038 -3.881 1
1 300 . 1 1 1 A 23 23 ARG CA C 23 56.190 56.502 -0.312 1
1 301 . 1 1 1 A 23 23 ARG CB C 23 31.230 32.417 -1.187 1
1 304 . 1 1 1 A 23 23 ARG N N 23 120.418 124.874 -4.456 1
1 307 . 1 1 1 A 24 24 GLU H H 24 7.372 7.783 -0.411 1
1 308 . 1 1 1 A 24 24 GLU HA H 24 4.454 4.545 -0.091 1
1 313 . 1 1 1 A 24 24 GLU C C 24 178.807 176.230 2.577 1
1 314 . 1 1 1 A 24 24 GLU CA C 24 53.870 55.828 -1.958 1
1 315 . 1 1 1 A 24 24 GLU CB C 24 31.610 33.394 -1.784 1
1 317 . 1 1 1 A 24 24 GLU N N 24 111.001 115.562 -4.561 1
1 318 . 1 1 1 A 25 25 LEU H H 25 8.842 8.647 0.195 1
1 319 . 1 1 1 A 25 25 LEU HA H 25 3.922 3.965 -0.043 1
1 329 . 1 1 1 A 25 25 LEU C C 25 177.591 177.594 -0.003 1
1 330 . 1 1 1 A 25 25 LEU CA C 25 58.800 59.163 -0.363 1
1 331 . 1 1 1 A 25 25 LEU CB C 25 42.000 41.709 0.291 1
1 335 . 1 1 1 A 25 25 LEU N N 25 122.468 127.037 -4.569 1
1 336 . 1 1 1 A 26 26 ASP H H 26 8.671 8.062 0.609 1
1 337 . 1 1 1 A 26 26 ASP HA H 26 4.389 4.323 0.066 1
1 340 . 1 1 1 A 26 26 ASP C C 26 178.739 178.416 0.323 1
1 341 . 1 1 1 A 26 26 ASP CA C 26 56.540 58.010 -1.470 1
1 342 . 1 1 1 A 26 26 ASP CB C 26 39.570 42.234 -2.664 1
1 343 . 1 1 1 A 26 26 ASP N N 26 114.189 118.455 -4.266 1
1 344 . 1 1 1 A 27 27 GLU H H 27 7.235 8.116 -0.881 1
1 345 . 1 1 1 A 27 27 GLU HA H 27 4.304 4.014 0.290 1
1 350 . 1 1 1 A 27 27 GLU C C 27 177.678 178.791 -1.113 1
1 351 . 1 1 1 A 27 27 GLU CA C 27 58.830 59.441 -0.611 1
1 352 . 1 1 1 A 27 27 GLU CB C 27 30.650 29.563 1.087 1
1 354 . 1 1 1 A 27 27 GLU N N 27 120.618 118.542 2.076 1
1 355 . 1 1 1 A 28 28 TYR H H 28 7.703 8.190 -0.487 1
1 356 . 1 1 1 A 28 28 TYR HA H 28 4.149 4.067 0.082 1
1 363 . 1 1 1 A 28 28 TYR C C 28 177.108 178.017 -0.909 1
1 364 . 1 1 1 A 28 28 TYR CA C 28 60.600 61.407 -0.807 1
1 365 . 1 1 1 A 28 28 TYR CB C 28 39.300 38.433 0.867 1
1 370 . 1 1 1 A 28 28 TYR N N 28 121.871 121.632 0.239 1
1 371 . 1 1 1 A 29 29 GLU H H 29 8.727 8.205 0.522 1
1 372 . 1 1 1 A 29 29 GLU HA H 29 3.823 4.208 -0.385 1
1 377 . 1 1 1 A 29 29 GLU C C 29 177.456 179.276 -1.820 1
1 378 . 1 1 1 A 29 29 GLU CA C 29 58.770 59.739 -0.969 1
1 379 . 1 1 1 A 29 29 GLU CB C 29 29.880 29.412 0.468 1
1 381 . 1 1 1 A 29 29 GLU N N 29 116.326 118.385 -2.059 1
1 382 . 1 1 1 A 30 30 GLU H H 30 7.225 8.457 -1.232 1
1 383 . 1 1 1 A 30 30 GLU HA H 30 4.219 4.133 0.086 1
1 388 . 1 1 1 A 30 30 GLU C C 30 177.012 176.144 0.868 1
1 389 . 1 1 1 A 30 30 GLU CA C 30 59.750 58.704 1.046 1
1 390 . 1 1 1 A 30 30 GLU CB C 30 29.310 28.926 0.384 1
1 392 . 1 1 1 A 30 30 GLU N N 30 119.394 117.083 2.311 1
1 393 . 1 1 1 A 31 31 LEU H H 31 7.512 7.203 0.309 1
1 394 . 1 1 1 A 31 31 LEU HA H 31 5.102 4.472 0.630 1
1 404 . 1 1 1 A 31 31 LEU C C 31 173.363 174.545 -1.182 1
1 405 . 1 1 1 A 31 31 LEU CA C 31 55.760 53.488 2.272 1
1 406 . 1 1 1 A 31 31 LEU CB C 31 42.880 44.037 -1.157 1
1 410 . 1 1 1 A 31 31 LEU N N 31 118.039 116.572 1.467 1
1 411 . 1 1 1 A 32 32 HIS H H 32 8.196 8.335 -0.139 1
1 412 . 1 1 1 A 32 32 HIS HA H 32 4.433 5.080 -0.647 1
1 417 . 1 1 1 A 32 32 HIS C C 32 171.973 172.112 -0.139 1
1 418 . 1 1 1 A 32 32 HIS CA C 32 54.660 54.293 0.367 1
1 419 . 1 1 1 A 32 32 HIS CB C 32 31.500 31.328 0.172 1
1 422 . 1 1 1 A 32 32 HIS N N 32 114.425 115.307 -0.882 1
1 423 . 1 1 1 A 33 33 LEU H H 33 10.099 8.723 1.376 1
1 424 . 1 1 1 A 33 33 LEU HA H 33 4.745 4.337 0.408 1
1 434 . 1 1 1 A 33 33 LEU CA C 33 53.423 52.887 0.536 1
1 435 . 1 1 1 A 33 33 LEU CB C 33 42.750 41.372 1.378 1
1 439 . 1 1 1 A 33 33 LEU N N 33 124.819 121.142 3.677 1
1 440 . 1 1 1 A 34 34 PRO HA H 34 4.328 4.470 -0.142 1
1 447 . 1 1 1 A 34 34 PRO C C 34 177.012 176.004 1.008 1
1 448 . 1 1 1 A 34 34 PRO CA C 34 64.440 64.261 0.179 1
1 449 . 1 1 1 A 34 34 PRO CB C 34 31.660 31.499 0.161 1
1 452 . 1 1 1 A 35 35 ASN H H 35 8.736 8.319 0.417 1
1 453 . 1 1 1 A 35 35 ASN HA H 35 4.701 5.077 -0.376 1
1 458 . 1 1 1 A 35 35 ASN C C 35 174.801 174.400 0.401 1
1 459 . 1 1 1 A 35 35 ASN CA C 35 53.470 52.702 0.768 1
1 460 . 1 1 1 A 35 35 ASN CB C 35 37.650 40.154 -2.504 1
1 461 . 1 1 1 A 35 35 ASN N N 35 113.231 115.684 -2.453 1
1 463 . 1 1 1 A 36 36 ALA H H 36 7.434 7.501 -0.067 1
1 464 . 1 1 1 A 36 36 ALA HA H 36 4.523 4.700 -0.177 1
1 468 . 1 1 1 A 36 36 ALA C C 36 177.494 176.475 1.019 1
1 469 . 1 1 1 A 36 36 ALA CA C 36 52.700 50.581 2.119 1
1 470 . 1 1 1 A 36 36 ALA CB C 36 21.760 20.674 1.086 1
1 471 . 1 1 1 A 36 36 ALA N N 36 122.419 123.697 -1.278 1
1 472 . 1 1 1 A 37 37 THR H H 37 8.334 8.768 -0.434 1
1 473 . 1 1 1 A 37 37 THR HA H 37 4.184 4.491 -0.307 1
1 479 . 1 1 1 A 37 37 THR C C 37 172.359 173.979 -1.620 1
1 480 . 1 1 1 A 37 37 THR CA C 37 63.020 62.656 0.364 1
1 481 . 1 1 1 A 37 37 THR CB C 37 69.800 69.259 0.541 1
1 483 . 1 1 1 A 37 37 THR N N 37 121.183 119.284 1.899 1
1 484 . 1 1 1 A 38 38 LEU H H 38 8.306 8.391 -0.085 1
1 485 . 1 1 1 A 38 38 LEU HA H 38 4.815 4.212 0.603 1
1 495 . 1 1 1 A 38 38 LEU C C 38 176.529 174.941 1.588 1
1 496 . 1 1 1 A 38 38 LEU CA C 38 53.873 54.932 -1.059 1
1 497 . 1 1 1 A 38 38 LEU CB C 38 41.830 41.503 0.327 1
1 501 . 1 1 1 A 38 38 LEU N N 38 130.981 130.034 0.947 1
1 502 . 1 1 1 A 39 39 ILE H H 39 8.612 8.245 0.367 1
1 503 . 1 1 1 A 39 39 ILE HA H 39 3.779 4.576 -0.797 1
1 513 . 1 1 1 A 39 39 ILE C C 39 172.186 174.703 -2.517 1
1 514 . 1 1 1 A 39 39 ILE CA C 39 62.040 59.781 2.259 1
1 515 . 1 1 1 A 39 39 ILE CB C 39 40.360 42.254 -1.894 1
1 519 . 1 1 1 A 39 39 ILE N N 39 131.100 129.466 1.634 1
1 520 . 1 1 1 A 40 40 SER H H 40 8.123 8.705 -0.582 1
1 521 . 1 1 1 A 40 40 SER HA H 40 3.904 4.479 -0.575 1
1 524 . 1 1 1 A 40 40 SER C C 40 177.629 175.601 2.028 1
1 525 . 1 1 1 A 40 40 SER CA C 40 58.810 58.237 0.573 1
1 526 . 1 1 1 A 40 40 SER CB C 40 63.090 64.174 -1.084 1
1 527 . 1 1 1 A 40 40 SER N N 40 118.068 122.809 -4.741 1
1 528 . 1 1 1 A 41 41 VAL H H 41 7.739 8.565 -0.826 1
1 529 . 1 1 1 A 41 41 VAL HA H 41 3.913 3.915 -0.002 1
1 537 . 1 1 1 A 41 41 VAL C C 41 174.714 176.660 -1.946 1
1 538 . 1 1 1 A 41 41 VAL CA C 41 58.990 64.622 -5.632 1
1 539 . 1 1 1 A 41 41 VAL CB C 41 31.730 31.892 -0.162 1
1 542 . 1 1 1 A 41 41 VAL N N 41 124.290 126.040 -1.750 1
1 543 . 1 1 1 A 42 42 ASN H H 42 8.344 8.367 -0.023 1
1 544 . 1 1 1 A 42 42 ASN HA H 42 4.630 4.649 -0.019 1
1 549 . 1 1 1 A 42 42 ASN C C 42 175.699 175.401 0.298 1
1 550 . 1 1 1 A 42 42 ASN CA C 42 54.860 53.610 1.250 1
1 551 . 1 1 1 A 42 42 ASN CB C 42 38.610 38.307 0.303 1
1 552 . 1 1 1 A 42 42 ASN N N 42 116.715 116.474 0.241 1
1 554 . 1 1 1 A 43 43 ASP H H 43 8.417 7.324 1.093 1
1 555 . 1 1 1 A 43 43 ASP HA H 43 5.021 4.878 0.143 1
1 558 . 1 1 1 A 43 43 ASP C C 43 175.699 175.976 -0.277 1
1 559 . 1 1 1 A 43 43 ASP CA C 43 52.300 52.770 -0.470 1
1 560 . 1 1 1 A 43 43 ASP CB C 43 39.540 38.477 1.063 1
1 561 . 1 1 1 A 43 43 ASP N N 43 125.038 119.712 5.326 1
1 562 . 1 1 1 A 44 44 GLN H H 44 7.762 8.137 -0.375 1
1 563 . 1 1 1 A 44 44 GLN HA H 44 3.815 4.091 -0.276 1
1 570 . 1 1 1 A 44 44 GLN C C 44 178.430 178.509 -0.079 1
1 571 . 1 1 1 A 44 44 GLN CA C 44 59.650 58.830 0.820 1
1 572 . 1 1 1 A 44 44 GLN CB C 44 28.760 28.256 0.504 1
1 574 . 1 1 1 A 44 44 GLN N N 44 119.490 122.215 -2.725 1
1 576 . 1 1 1 A 45 45 GLU H H 45 8.705 8.285 0.420 1
1 577 . 1 1 1 A 45 45 GLU HA H 45 4.059 4.073 -0.014 1
1 582 . 1 1 1 A 45 45 GLU C C 45 178.739 178.842 -0.103 1
1 583 . 1 1 1 A 45 45 GLU CA C 45 59.660 59.424 0.236 1
1 584 . 1 1 1 A 45 45 GLU CB C 45 28.900 29.079 -0.179 1
1 586 . 1 1 1 A 45 45 GLU N N 45 119.373 118.795 0.578 1
1 587 . 1 1 1 A 46 46 LYS H H 46 7.545 7.786 -0.241 1
1 588 . 1 1 1 A 46 46 LYS HA H 46 4.119 4.151 -0.032 1
1 597 . 1 1 1 A 46 46 LYS C C 46 179.579 178.750 0.829 1
1 598 . 1 1 1 A 46 46 LYS CA C 46 58.940 59.027 -0.087 1
1 599 . 1 1 1 A 46 46 LYS CB C 46 32.750 31.951 0.799 1
1 603 . 1 1 1 A 46 46 LYS N N 46 120.645 119.891 0.754 1
1 604 . 1 1 1 A 47 47 LEU H H 47 8.005 7.840 0.165 1
1 605 . 1 1 1 A 47 47 LEU HA H 47 4.059 4.054 0.005 1
1 615 . 1 1 1 A 47 47 LEU C C 47 177.436 178.217 -0.781 1
1 616 . 1 1 1 A 47 47 LEU CA C 47 58.090 57.746 0.344 1
1 617 . 1 1 1 A 47 47 LEU CB C 47 41.150 41.391 -0.241 1
1 621 . 1 1 1 A 47 47 LEU N N 47 122.201 121.187 1.014 1
1 622 . 1 1 1 A 48 48 ALA H H 48 8.239 8.400 -0.161 1
1 623 . 1 1 1 A 48 48 ALA HA H 48 3.733 3.660 0.073 1
1 627 . 1 1 1 A 48 48 ALA C C 48 179.347 179.137 0.210 1
1 628 . 1 1 1 A 48 48 ALA CA C 48 55.420 55.358 0.062 1
1 629 . 1 1 1 A 48 48 ALA CB C 48 18.240 18.198 0.042 1
1 630 . 1 1 1 A 48 48 ALA N N 48 121.483 120.934 0.549 1
1 631 . 1 1 1 A 49 49 ASP H H 49 8.001 7.827 0.174 1
1 632 . 1 1 1 A 49 49 ASP HA H 49 4.308 4.334 -0.026 1
1 635 . 1 1 1 A 49 49 ASP C C 49 179.106 178.186 0.920 1
1 636 . 1 1 1 A 49 49 ASP CA C 49 57.350 57.171 0.179 1
1 637 . 1 1 1 A 49 49 ASP CB C 49 41.250 41.590 -0.340 1
1 638 . 1 1 1 A 49 49 ASP N N 49 117.231 118.715 -1.484 1
1 639 . 1 1 1 A 50 50 PHE H H 50 8.265 8.122 0.143 1
1 640 . 1 1 1 A 50 50 PHE HA H 50 4.101 4.076 0.025 1
1 647 . 1 1 1 A 50 50 PHE C C 50 179.048 176.813 2.235 1
1 648 . 1 1 1 A 50 50 PHE CA C 50 62.590 60.984 1.606 1
1 649 . 1 1 1 A 50 50 PHE CB C 50 39.810 39.308 0.502 1
1 651 . 1 1 1 A 50 50 PHE N N 50 122.379 120.253 2.126 1
1 652 . 1 1 1 A 51 51 LEU H H 51 8.653 7.875 0.778 1
1 653 . 1 1 1 A 51 51 LEU HA H 51 3.789 3.886 -0.097 1
1 663 . 1 1 1 A 51 51 LEU C C 51 180.400 178.270 2.130 1
1 664 . 1 1 1 A 51 51 LEU CA C 51 58.140 56.956 1.184 1
1 665 . 1 1 1 A 51 51 LEU CB C 51 38.770 41.331 -2.561 1
1 669 . 1 1 1 A 51 51 LEU N N 51 120.277 119.372 0.905 1
1 670 . 1 1 1 A 52 52 SER H H 52 8.332 7.804 0.528 1
1 671 . 1 1 1 A 52 52 SER HA H 52 4.160 4.360 -0.200 1
1 674 . 1 1 1 A 52 52 SER C C 52 176.220 176.684 -0.464 1
1 675 . 1 1 1 A 52 52 SER CA C 52 61.840 60.958 0.882 1
1 676 . 1 1 1 A 52 52 SER CB C 52 62.850 63.132 -0.282 1
1 677 . 1 1 1 A 52 52 SER N N 52 115.630 114.799 0.831 1
1 678 . 1 1 1 A 53 53 GLN H H 53 7.405 7.539 -0.134 1
1 679 . 1 1 1 A 53 53 GLN HA H 53 4.092 4.061 0.031 1
1 686 . 1 1 1 A 53 53 GLN C C 53 176.046 176.173 -0.127 1
1 687 . 1 1 1 A 53 53 GLN CA C 53 56.560 58.561 -2.001 1
1 688 . 1 1 1 A 53 53 GLN CB C 53 28.580 28.981 -0.401 1
1 690 . 1 1 1 A 53 53 GLN N N 53 119.056 118.274 0.782 1
1 692 . 1 1 1 A 54 54 HIS H H 54 7.311 7.690 -0.379 1
1 693 . 1 1 1 A 54 54 HIS HA H 54 4.754 4.918 -0.164 1
1 696 . 1 1 1 A 54 54 HIS C C 54 175.467 175.179 0.288 1
1 697 . 1 1 1 A 54 54 HIS CA C 54 55.562 54.621 0.941 1
1 698 . 1 1 1 A 54 54 HIS CB C 54 29.650 32.632 -2.982 1
1 699 . 1 1 1 A 54 54 HIS N N 54 117.800 115.832 1.968 1
1 700 . 1 1 1 A 55 55 LYS H H 55 7.646 8.634 -0.988 1
1 701 . 1 1 1 A 55 55 LYS HA H 55 4.296 4.299 -0.003 1
1 710 . 1 1 1 A 55 55 LYS C C 55 176.741 176.840 -0.099 1
1 711 . 1 1 1 A 55 55 LYS CA C 55 58.710 58.206 0.504 1
1 712 . 1 1 1 A 55 55 LYS CB C 55 32.370 32.909 -0.539 1
1 716 . 1 1 1 A 55 55 LYS N N 55 119.903 123.003 -3.100 1
1 717 . 1 1 1 A 56 56 ASP H H 56 8.853 7.932 0.921 1
1 718 . 1 1 1 A 56 56 ASP HA H 56 4.655 4.800 -0.145 1
1 721 . 1 1 1 A 56 56 ASP C C 56 175.158 174.816 0.342 1
1 722 . 1 1 1 A 56 56 ASP CA C 56 53.930 53.690 0.240 1
1 723 . 1 1 1 A 56 56 ASP CB C 56 40.220 39.214 1.006 1
1 724 . 1 1 1 A 56 56 ASP N N 56 116.429 118.597 -2.168 1
1 725 . 1 1 1 A 57 57 LYS H H 57 7.655 8.159 -0.504 1
1 726 . 1 1 1 A 57 57 LYS HA H 57 4.701 5.086 -0.385 1
1 735 . 1 1 1 A 57 57 LYS C C 57 175.236 174.118 1.118 1
1 736 . 1 1 1 A 57 57 LYS CA C 57 53.830 54.925 -1.095 1
1 737 . 1 1 1 A 57 57 LYS CB C 57 35.550 35.759 -0.209 1
1 741 . 1 1 1 A 57 57 LYS N N 57 119.510 118.613 0.897 1
1 742 . 1 1 1 A 58 58 LYS H H 58 8.265 8.889 -0.624 1
1 743 . 1 1 1 A 58 58 LYS HA H 58 4.745 5.149 -0.404 1
1 752 . 1 1 1 A 58 58 LYS C C 58 175.651 175.369 0.282 1
1 753 . 1 1 1 A 58 58 LYS CA C 58 56.870 55.059 1.811 1
1 754 . 1 1 1 A 58 58 LYS CB C 58 33.250 33.872 -0.622 1
1 758 . 1 1 1 A 58 58 LYS N N 58 120.091 121.874 -1.783 1
1 759 . 1 1 1 A 59 59 VAL H H 59 9.233 9.361 -0.128 1
1 760 . 1 1 1 A 59 59 VAL HA H 59 5.231 5.394 -0.163 1
1 768 . 1 1 1 A 59 59 VAL C C 59 173.556 174.090 -0.534 1
1 769 . 1 1 1 A 59 59 VAL CA C 59 60.930 61.126 -0.196 1
1 770 . 1 1 1 A 59 59 VAL CB C 59 34.300 34.740 -0.440 1
1 772 . 1 1 1 A 59 59 VAL N N 59 127.047 126.891 0.156 1
1 773 . 1 1 1 A 60 60 LEU H H 60 9.228 8.990 0.238 1
1 774 . 1 1 1 A 60 60 LEU HA H 60 4.815 5.179 -0.364 1
1 784 . 1 1 1 A 60 60 LEU C C 60 173.421 175.079 -1.658 1
1 785 . 1 1 1 A 60 60 LEU CA C 60 52.586 53.516 -0.930 1
1 786 . 1 1 1 A 60 60 LEU CB C 60 45.660 44.935 0.725 1
1 790 . 1 1 1 A 60 60 LEU N N 60 129.197 129.618 -0.421 1
1 791 . 1 1 1 A 61 61 LEU H H 61 9.055 9.103 -0.048 1
1 792 . 1 1 1 A 61 61 LEU HA H 61 5.713 4.912 0.801 1
1 802 . 1 1 1 A 61 61 LEU C C 61 176.683 176.747 -0.064 1
1 803 . 1 1 1 A 61 61 LEU CA C 61 52.760 54.305 -1.545 1
1 804 . 1 1 1 A 61 61 LEU CB C 61 43.220 40.901 2.319 1
1 808 . 1 1 1 A 61 61 LEU N N 61 125.903 129.119 -3.216 1
1 809 . 1 1 1 A 62 62 HIS H H 62 9.148 8.853 0.295 1
1 810 . 1 1 1 A 62 62 HIS HA H 62 5.440 5.292 0.148 1
1 816 . 1 1 1 A 62 62 HIS C C 62 172.301 173.842 -1.541 1
1 817 . 1 1 1 A 62 62 HIS CA C 62 54.580 54.460 0.120 1
1 818 . 1 1 1 A 62 62 HIS CB C 62 33.980 31.495 2.485 1
1 821 . 1 1 1 A 62 62 HIS N N 62 119.183 122.117 -2.934 1
1 823 . 1 1 1 A 63 63 CYS H H 63 9.389 8.148 1.241 1
1 824 . 1 1 1 A 63 63 CYS HA H 63 5.021 4.728 0.293 1
1 827 . 1 1 1 A 63 63 CYS C C 63 177.649 175.233 2.416 1
1 828 . 1 1 1 A 63 63 CYS CA C 63 56.460 57.452 -0.992 1
1 829 . 1 1 1 A 63 63 CYS CB C 63 29.400 30.737 -1.337 1
1 830 . 1 1 1 A 63 63 CYS N N 63 120.896 119.792 1.104 1
1 831 . 1 1 1 A 64 64 ARG H H 64 8.658 8.790 -0.132 1
1 832 . 1 1 1 A 64 64 ARG HA H 64 4.425 3.831 0.594 1
1 839 . 1 1 1 A 64 64 ARG C C 64 174.724 177.608 -2.884 1
1 840 . 1 1 1 A 64 64 ARG CA C 64 59.000 59.105 -0.105 1
1 841 . 1 1 1 A 64 64 ARG CB C 64 30.820 30.049 0.771 1
1 844 . 1 1 1 A 64 64 ARG N N 64 130.651 126.527 4.124 1
1 845 . 1 1 1 A 65 65 ALA H H 65 8.166 7.661 0.505 1
1 846 . 1 1 1 A 65 65 ALA HA H 65 5.399 4.535 0.864 1
1 850 . 1 1 1 A 65 65 ALA C C 65 177.909 177.332 0.577 1
1 851 . 1 1 1 A 65 65 ALA CA C 65 52.020 53.294 -1.274 1
1 852 . 1 1 1 A 65 65 ALA CB C 65 20.270 21.517 -1.247 1
1 853 . 1 1 1 A 65 65 ALA N N 65 118.548 119.436 -0.888 1
1 854 . 1 1 1 A 66 66 GLY H H 66 9.300 7.852 1.448 1
1 855 . 1 1 1 A 66 66 GLY HA2 H 66 4.872 4.063 0.809 1
1 856 . 1 1 1 A 66 66 GLY HA3 H 66 4.450 4.075 0.375 1
1 857 . 1 1 1 A 66 66 GLY C C 66 176.761 174.855 1.906 1
1 858 . 1 1 1 A 66 66 GLY CA C 66 46.630 45.527 1.103 1
1 859 . 1 1 1 A 66 66 GLY N N 66 114.644 106.847 7.797 1
1 860 . 1 1 1 A 67 67 ARG H H 67 8.118 8.057 0.061 1
1 861 . 1 1 1 A 67 67 ARG HA H 67 4.141 4.093 0.048 1
1 871 . 1 1 1 A 67 67 ARG C C 67 178.691 178.921 -0.230 1
1 872 . 1 1 1 A 67 67 ARG CA C 67 60.930 58.459 2.471 1
1 873 . 1 1 1 A 67 67 ARG CB C 67 31.240 29.712 1.528 1
1 876 . 1 1 1 A 67 67 ARG N N 67 121.922 122.127 -0.205 1
1 879 . 1 1 1 A 68 68 ARG H H 68 9.366 7.954 1.412 1
1 880 . 1 1 1 A 68 68 ARG HA H 68 4.282 4.049 0.233 1
1 887 . 1 1 1 A 68 68 ARG C C 68 178.681 179.150 -0.469 1
1 888 . 1 1 1 A 68 68 ARG CA C 68 59.410 58.905 0.505 1
1 889 . 1 1 1 A 68 68 ARG CB C 68 30.760 29.407 1.353 1
1 892 . 1 1 1 A 68 68 ARG N N 68 123.821 119.166 4.655 1
1 893 . 1 1 1 A 69 69 ALA H H 69 10.112 8.132 1.980 1
1 894 . 1 1 1 A 69 69 ALA HA H 69 3.800 4.114 -0.314 1
1 898 . 1 1 1 A 69 69 ALA C C 69 178.334 179.950 -1.616 1
1 899 . 1 1 1 A 69 69 ALA CA C 69 55.960 55.268 0.692 1
1 900 . 1 1 1 A 69 69 ALA CB C 69 17.730 18.562 -0.832 1
1 901 . 1 1 1 A 69 69 ALA N N 69 125.465 122.104 3.361 1
1 902 . 1 1 1 A 70 70 LEU H H 70 7.746 7.702 0.044 1
1 903 . 1 1 1 A 70 70 LEU HA H 70 3.340 3.181 0.159 1
1 913 . 1 1 1 A 70 70 LEU C C 70 177.996 178.116 -0.120 1
1 914 . 1 1 1 A 70 70 LEU CA C 70 57.950 57.512 0.438 1
1 915 . 1 1 1 A 70 70 LEU CB C 70 40.720 41.554 -0.834 1
1 919 . 1 1 1 A 70 70 LEU N N 70 118.427 119.319 -0.892 1
1 920 . 1 1 1 A 71 71 ASP H H 71 7.662 8.694 -1.032 1
1 921 . 1 1 1 A 71 71 ASP HA H 71 4.236 4.265 -0.029 1
1 924 . 1 1 1 A 71 71 ASP C C 71 179.560 178.576 0.984 1
1 925 . 1 1 1 A 71 71 ASP CA C 71 57.880 57.320 0.560 1
1 926 . 1 1 1 A 71 71 ASP CB C 71 40.340 40.577 -0.237 1
1 927 . 1 1 1 A 71 71 ASP N N 71 120.180 117.826 2.354 1
1 928 . 1 1 1 A 72 72 ALA H H 72 8.796 7.770 1.026 1
1 929 . 1 1 1 A 72 72 ALA HA H 72 4.101 4.065 0.036 1
1 933 . 1 1 1 A 72 72 ALA C C 72 179.203 179.880 -0.677 1
1 934 . 1 1 1 A 72 72 ALA CA C 72 54.670 54.667 0.003 1
1 935 . 1 1 1 A 72 72 ALA CB C 72 18.490 18.087 0.403 1
1 936 . 1 1 1 A 72 72 ALA N N 72 122.299 122.113 0.186 1
1 937 . 1 1 1 A 73 73 ALA H H 73 8.672 7.506 1.166 1
1 938 . 1 1 1 A 73 73 ALA HA H 73 3.758 4.141 -0.383 1
1 942 . 1 1 1 A 73 73 ALA C C 73 179.251 179.462 -0.211 1
1 943 . 1 1 1 A 73 73 ALA CA C 73 55.950 55.086 0.864 1
1 944 . 1 1 1 A 73 73 ALA CB C 73 17.660 17.879 -0.219 1
1 945 . 1 1 1 A 73 73 ALA N N 73 121.294 120.981 0.313 1
1 946 . 1 1 1 A 74 74 LYS H H 74 8.914 8.105 0.809 1
1 947 . 1 1 1 A 74 74 LYS HA H 74 3.790 3.833 -0.043 1
1 956 . 1 1 1 A 74 74 LYS C C 74 179.589 179.489 0.100 1
1 957 . 1 1 1 A 74 74 LYS CA C 74 60.620 59.288 1.332 1
1 958 . 1 1 1 A 74 74 LYS CB C 74 32.330 32.254 0.076 1
1 962 . 1 1 1 A 74 74 LYS N N 74 119.404 118.003 1.401 1
1 963 . 1 1 1 A 75 75 SER H H 75 7.874 7.855 0.019 1
1 964 . 1 1 1 A 75 75 SER HA H 75 4.272 4.194 0.078 1
1 967 . 1 1 1 A 75 75 SER C C 75 176.944 176.863 0.081 1
1 968 . 1 1 1 A 75 75 SER CA C 75 61.840 61.886 -0.046 1
1 969 . 1 1 1 A 75 75 SER CB C 75 62.990 62.583 0.407 1
1 970 . 1 1 1 A 75 75 SER N N 75 114.306 116.424 -2.118 1
1 971 . 1 1 1 A 76 76 MET H H 76 8.401 7.870 0.531 1
1 972 . 1 1 1 A 76 76 MET HA H 76 4.881 4.391 0.490 1
1 980 . 1 1 1 A 76 76 MET C C 76 179.811 178.767 1.044 1
1 981 . 1 1 1 A 76 76 MET CA C 76 56.060 58.387 -2.327 1
1 982 . 1 1 1 A 76 76 MET CB C 76 34.780 33.494 1.286 1
1 985 . 1 1 1 A 76 76 MET N N 76 119.510 119.910 -0.400 1
1 986 . 1 1 1 A 77 77 HIS H H 77 9.450 8.230 1.220 1
1 987 . 1 1 1 A 77 77 HIS HA H 77 5.148 4.832 0.316 1
1 992 . 1 1 1 A 77 77 HIS C C 77 181.596 177.927 3.669 1
1 993 . 1 1 1 A 77 77 HIS CA C 77 59.550 59.101 0.449 1
1 994 . 1 1 1 A 77 77 HIS CB C 77 30.720 29.747 0.973 1
1 997 . 1 1 1 A 77 77 HIS N N 77 123.245 117.761 5.484 1
1 998 . 1 1 1 A 78 78 GLU H H 78 7.832 8.414 -0.582 1
1 999 . 1 1 1 A 78 78 GLU HA H 78 4.159 4.157 0.002 1
1 1004 . 1 1 1 A 78 78 GLU C C 78 177.909 178.052 -0.143 1
1 1005 . 1 1 1 A 78 78 GLU CA C 78 59.110 58.601 0.509 1
1 1006 . 1 1 1 A 78 78 GLU CB C 78 29.380 29.565 -0.185 1
1 1008 . 1 1 1 A 78 78 GLU N N 78 121.124 119.191 1.933 1
1 1009 . 1 1 1 A 79 79 LEU H H 79 7.161 7.209 -0.048 1
1 1010 . 1 1 1 A 79 79 LEU HA H 79 4.360 4.328 0.032 1
1 1020 . 1 1 1 A 79 79 LEU C C 79 176.934 176.890 0.044 1
1 1021 . 1 1 1 A 79 79 LEU CA C 79 54.820 54.782 0.038 1
1 1022 . 1 1 1 A 79 79 LEU CB C 79 43.300 42.296 1.004 1
1 1026 . 1 1 1 A 79 79 LEU N N 79 116.655 118.139 -1.484 1
1 1027 . 1 1 1 A 80 80 GLY H H 80 7.545 7.906 -0.361 1
1 1028 . 1 1 1 A 80 80 GLY HA2 H 80 4.101 3.729 0.372 1
1 1029 . 1 1 1 A 80 80 GLY HA3 H 80 3.580 3.820 -0.240 1
1 1030 . 1 1 1 A 80 80 GLY C C 80 174.116 174.451 -0.335 1
1 1031 . 1 1 1 A 80 80 GLY CA C 80 45.010 45.662 -0.652 1
1 1032 . 1 1 1 A 80 80 GLY N N 80 105.216 107.001 -1.785 1
1 1033 . 1 1 1 A 81 81 TYR H H 81 7.519 7.696 -0.177 1
1 1034 . 1 1 1 A 81 81 TYR HA H 81 4.727 4.507 0.220 1
1 1041 . 1 1 1 A 81 81 TYR C C 81 174.377 174.535 -0.158 1
1 1042 . 1 1 1 A 81 81 TYR CA C 81 56.960 58.106 -1.146 1
1 1043 . 1 1 1 A 81 81 TYR CB C 81 40.310 39.893 0.417 1
1 1046 . 1 1 1 A 81 81 TYR N N 81 119.660 119.583 0.077 1
1 1047 . 1 1 1 A 82 82 THR H H 82 8.786 8.789 -0.003 1
1 1048 . 1 1 1 A 82 82 THR HA H 82 3.390 3.707 -0.317 1
1 1053 . 1 1 1 A 82 82 THR CA C 82 57.030 58.357 -1.327 1
1 1054 . 1 1 1 A 82 82 THR CB C 82 68.740 68.731 0.009 1
1 1056 . 1 1 1 A 82 82 THR N N 82 105.368 113.808 -8.440 1
1 1057 . 1 1 1 A 83 83 PRO HA H 83 5.003 4.728 0.275 1
1 1064 . 1 1 1 A 83 83 PRO C C 83 175.699 176.006 -0.307 1
1 1065 . 1 1 1 A 83 83 PRO CA C 83 63.140 62.371 0.769 1
1 1066 . 1 1 1 A 83 83 PRO CB C 83 31.570 32.199 -0.629 1
1 1069 . 1 1 1 A 84 84 TYR H H 84 9.497 8.479 1.018 1
1 1070 . 1 1 1 A 84 84 TYR HA H 84 5.482 5.273 0.209 1
1 1077 . 1 1 1 A 84 84 TYR C C 84 175.506 175.179 0.327 1
1 1078 . 1 1 1 A 84 84 TYR CA C 84 57.570 57.826 -0.256 1
1 1079 . 1 1 1 A 84 84 TYR CB C 84 40.500 39.919 0.581 1
1 1082 . 1 1 1 A 84 84 TYR N N 84 119.880 120.031 -0.151 1
1 1083 . 1 1 1 A 85 85 TYR H H 85 8.570 8.488 0.082 1
1 1084 . 1 1 1 A 85 85 TYR HA H 85 5.730 5.440 0.290 1
1 1089 . 1 1 1 A 85 85 TYR C C 85 172.215 172.258 -0.043 1
1 1090 . 1 1 1 A 85 85 TYR CA C 85 55.240 56.094 -0.854 1
1 1091 . 1 1 1 A 85 85 TYR CB C 85 40.830 41.528 -0.698 1
1 1093 . 1 1 1 A 85 85 TYR N N 85 116.764 118.327 -1.563 1
1 1094 . 1 1 1 A 86 86 LEU H H 86 8.196 9.231 -1.035 1
1 1095 . 1 1 1 A 86 86 LEU HA H 86 4.881 5.227 -0.346 1
1 1105 . 1 1 1 A 86 86 LEU C C 86 177.552 174.722 2.830 1
1 1106 . 1 1 1 A 86 86 LEU CA C 86 53.376 53.829 -0.453 1
1 1107 . 1 1 1 A 86 86 LEU CB C 86 44.360 44.272 0.088 1
1 1111 . 1 1 1 A 86 86 LEU N N 86 121.589 123.858 -2.269 1
1 1112 . 1 1 1 A 87 87 GLU H H 87 9.146 8.677 0.469 1
1 1113 . 1 1 1 A 87 87 GLU HA H 87 4.797 5.046 -0.249 1
1 1118 . 1 1 1 A 87 87 GLU C C 87 174.965 176.744 -1.779 1
1 1119 . 1 1 1 A 87 87 GLU CA C 87 55.405 55.598 -0.193 1
1 1120 . 1 1 1 A 87 87 GLU CB C 87 30.010 30.383 -0.373 1
1 1122 . 1 1 1 A 87 87 GLU N N 87 128.779 126.857 1.922 1
1 1123 . 1 1 1 A 88 88 GLY H H 88 7.349 8.064 -0.715 1
1 1124 . 1 1 1 A 88 88 GLY HA2 H 88 4.110 4.175 -0.065 1
1 1125 . 1 1 1 A 88 88 GLY HA3 H 88 4.023 4.238 -0.215 1
1 1126 . 1 1 1 A 88 88 GLY C C 88 170.593 172.095 -1.502 1
1 1127 . 1 1 1 A 88 88 GLY CA C 88 44.970 46.043 -1.073 1
1 1128 . 1 1 1 A 88 88 GLY N N 88 112.564 111.148 1.416 1
1 1129 . 1 1 1 A 89 89 ASN H H 89 8.756 8.598 0.158 1
1 1130 . 1 1 1 A 89 89 ASN HA H 89 5.722 5.218 0.504 1
1 1135 . 1 1 1 A 89 89 ASN C C 89 176.336 176.142 0.194 1
1 1136 . 1 1 1 A 89 89 ASN CA C 89 52.210 54.227 -2.017 1
1 1137 . 1 1 1 A 89 89 ASN CB C 89 40.950 38.703 2.247 1
1 1138 . 1 1 1 A 89 89 ASN N N 89 121.363 119.968 1.395 1
1 1140 . 1 1 1 A 90 90 VAL H H 90 8.928 8.157 0.771 1
1 1141 . 1 1 1 A 90 90 VAL HA H 90 4.425 2.276 2.149 1
1 1149 . 1 1 1 A 90 90 VAL C C 90 175.660 176.534 -0.874 1
1 1150 . 1 1 1 A 90 90 VAL CA C 90 58.930 63.946 -5.016 1
1 1151 . 1 1 1 A 90 90 VAL CB C 90 30.860 31.411 -0.551 1
1 1154 . 1 1 1 A 90 90 VAL N N 90 128.990 125.820 3.170 1
1 1155 . 1 1 1 A 91 91 TYR H H 91 8.330 7.553 0.777 1
1 1156 . 1 1 1 A 91 91 TYR HA H 91 4.016 4.258 -0.242 1
1 1163 . 1 1 1 A 91 91 TYR C C 91 175.718 177.424 -1.706 1
1 1164 . 1 1 1 A 91 91 TYR CA C 91 61.700 61.660 0.040 1
1 1165 . 1 1 1 A 91 91 TYR CB C 91 36.580 37.420 -0.840 1
1 1168 . 1 1 1 A 91 91 TYR N N 91 119.510 119.614 -0.104 1
1 1169 . 1 1 1 A 92 92 ASP H H 92 8.654 7.929 0.725 1
1 1170 . 1 1 1 A 92 92 ASP HA H 92 5.146 4.803 0.343 1
1 1173 . 1 1 1 A 92 92 ASP C C 92 177.224 178.795 -1.571 1
1 1174 . 1 1 1 A 92 92 ASP CA C 92 54.290 55.566 -1.276 1
1 1175 . 1 1 1 A 92 92 ASP CB C 92 42.670 40.969 1.701 1
1 1176 . 1 1 1 A 92 92 ASP N N 92 117.541 120.450 -2.909 1
1 1177 . 1 1 1 A 93 93 PHE H H 93 7.673 7.713 -0.040 1
1 1178 . 1 1 1 A 93 93 PHE HA H 93 4.688 4.457 0.231 1
1 1186 . 1 1 1 A 93 93 PHE C C 93 179.270 178.700 0.570 1
1 1187 . 1 1 1 A 93 93 PHE CA C 93 60.340 61.844 -1.504 1
1 1188 . 1 1 1 A 93 93 PHE CB C 93 36.010 38.565 -2.555 1
1 1192 . 1 1 1 A 93 93 PHE N N 93 123.205 117.890 5.315 1
1 1193 . 1 1 1 A 94 94 GLU H H 94 9.164 8.495 0.669 1
1 1194 . 1 1 1 A 94 94 GLU HA H 94 4.676 4.240 0.436 1
1 1199 . 1 1 1 A 94 94 GLU C C 94 180.805 179.113 1.692 1
1 1200 . 1 1 1 A 94 94 GLU CA C 94 59.240 60.100 -0.860 1
1 1201 . 1 1 1 A 94 94 GLU CB C 94 29.640 29.566 0.074 1
1 1203 . 1 1 1 A 94 94 GLU N N 94 118.657 119.318 -0.661 1
1 1204 . 1 1 1 A 95 95 LYS H H 95 8.005 8.375 -0.370 1
1 1205 . 1 1 1 A 95 95 LYS HA H 95 4.103 4.215 -0.112 1
1 1214 . 1 1 1 A 95 95 LYS C C 95 177.948 177.410 0.538 1
1 1215 . 1 1 1 A 95 95 LYS CA C 95 58.680 58.815 -0.135 1
1 1216 . 1 1 1 A 95 95 LYS CB C 95 31.690 32.006 -0.316 1
1 1220 . 1 1 1 A 95 95 LYS N N 95 121.494 119.091 2.403 1
1 1221 . 1 1 1 A 96 96 TYR H H 96 7.710 7.821 -0.111 1
1 1222 . 1 1 1 A 96 96 TYR HA H 96 4.332 4.662 -0.330 1
1 1229 . 1 1 1 A 96 96 TYR C C 96 174.550 175.691 -1.141 1
1 1230 . 1 1 1 A 96 96 TYR CA C 96 59.370 58.191 1.179 1
1 1231 . 1 1 1 A 96 96 TYR CB C 96 38.340 38.823 -0.483 1
1 1234 . 1 1 1 A 96 96 TYR N N 96 117.421 118.481 -1.060 1
1 1235 . 1 1 1 A 97 97 GLY H H 97 7.796 7.769 0.027 1
1 1236 . 1 1 1 A 97 97 GLY HA2 H 97 3.966 3.807 0.159 1
1 1237 . 1 1 1 A 97 97 GLY HA3 H 97 3.580 3.971 -0.391 1
1 1238 . 1 1 1 A 97 97 GLY C C 97 173.662 174.201 -0.539 1
1 1239 . 1 1 1 A 97 97 GLY CA C 97 45.160 45.022 0.138 1
1 1240 . 1 1 1 A 97 97 GLY N N 97 105.806 106.801 -0.995 1
1 1241 . 1 1 1 A 98 98 PHE H H 98 7.323 7.932 -0.609 1
1 1242 . 1 1 1 A 98 98 PHE HA H 98 4.644 4.499 0.145 1
1 1250 . 1 1 1 A 98 98 PHE C C 98 173.353 175.521 -2.168 1
1 1251 . 1 1 1 A 98 98 PHE CA C 98 57.490 58.234 -0.744 1
1 1252 . 1 1 1 A 98 98 PHE CB C 98 38.550 39.662 -1.112 1
1 1256 . 1 1 1 A 98 98 PHE N N 98 120.718 119.704 1.014 1
1 1257 . 1 1 1 A 99 99 ARG H H 99 7.903 8.506 -0.603 1
1 1258 . 1 1 1 A 99 99 ARG HA H 99 4.283 4.234 0.049 1
1 1265 . 1 1 1 A 99 99 ARG C C 99 175.680 176.111 -0.431 1
1 1266 . 1 1 1 A 99 99 ARG CA C 99 56.320 56.306 0.014 1
1 1267 . 1 1 1 A 99 99 ARG CB C 99 30.610 30.573 0.037 1
1 1270 . 1 1 1 A 99 99 ARG N N 99 122.817 124.110 -1.293 1
1 1271 . 1 1 1 A 100 100 MET H H 100 8.133 8.747 -0.614 1
1 1272 . 1 1 1 A 100 100 MET HA H 100 4.843 4.915 -0.072 1
1 1280 . 1 1 1 A 100 100 MET C C 100 175.255 174.080 1.175 1
1 1281 . 1 1 1 A 100 100 MET CA C 100 52.343 54.406 -2.063 1
1 1282 . 1 1 1 A 100 100 MET CB C 100 34.410 37.396 -2.986 1
1 1285 . 1 1 1 A 100 100 MET N N 100 121.483 120.055 1.428 1
1 1286 . 1 1 1 A 101 101 VAL H H 101 8.471 8.688 -0.217 1
1 1287 . 1 1 1 A 101 101 VAL HA H 101 3.890 4.583 -0.693 1
1 1295 . 1 1 1 A 101 101 VAL C C 101 175.351 174.866 0.485 1
1 1296 . 1 1 1 A 101 101 VAL CA C 101 61.500 61.107 0.393 1
1 1297 . 1 1 1 A 101 101 VAL CB C 101 31.730 32.163 -0.433 1
1 1300 . 1 1 1 A 101 101 VAL N N 101 119.940 121.477 -1.537 1
1 1301 . 1 1 1 A 102 102 TYR H H 102 8.612 8.949 -0.337 1
1 1302 . 1 1 1 A 102 102 TYR HA H 102 4.938 4.890 0.048 1
1 1309 . 1 1 1 A 102 102 TYR C C 102 175.892 176.039 -0.147 1
1 1310 . 1 1 1 A 102 102 TYR CA C 102 57.140 57.362 -0.222 1
1 1311 . 1 1 1 A 102 102 TYR CB C 102 40.990 39.880 1.110 1
1 1314 . 1 1 1 A 102 102 TYR N N 102 126.390 126.712 -0.322 1
1 1315 . 1 1 1 A 103 103 ASP H H 103 8.071 8.776 -0.705 1
1 1316 . 1 1 1 A 103 103 ASP HA H 103 4.621 4.606 0.015 1
1 1319 . 1 1 1 A 103 103 ASP C C 103 176.220 176.643 -0.423 1
1 1320 . 1 1 1 A 103 103 ASP CA C 103 55.050 54.837 0.213 1
1 1321 . 1 1 1 A 103 103 ASP CB C 103 40.220 39.289 0.931 1
1 1322 . 1 1 1 A 103 103 ASP N N 103 120.738 124.041 -3.303 1
1 1323 . 1 1 1 A 104 104 ASP H H 104 8.642 8.082 0.560 1
1 1324 . 1 1 1 A 104 104 ASP HA H 104 4.730 5.009 -0.279 1
1 1327 . 1 1 1 A 104 104 ASP C C 104 176.095 177.471 -1.376 1
1 1328 . 1 1 1 A 104 104 ASP CA C 104 53.510 52.867 0.643 1
1 1329 . 1 1 1 A 104 104 ASP CB C 104 41.060 40.808 0.252 1
1 1330 . 1 1 1 A 104 104 ASP N N 104 121.582 119.933 1.649 1
1 1331 . 1 1 1 A 105 105 THR H H 105 8.119 7.674 0.445 1
1 1332 . 1 1 1 A 105 105 THR HA H 105 4.389 3.946 0.443 1
1 1337 . 1 1 1 A 105 105 THR C C 105 173.508 175.598 -2.090 1
1 1338 . 1 1 1 A 105 105 THR CA C 105 61.580 65.683 -4.103 1
1 1339 . 1 1 1 A 105 105 THR CB C 105 69.840 68.836 1.004 1
1 1341 . 1 1 1 A 105 105 THR N N 105 113.632 114.949 -1.317 1
1 1342 . 1 1 1 A 106 106 CYS H H 106 8.013 7.889 0.124 1
1 1343 . 1 1 1 A 106 106 CYS N N 106 129.098 118.458 10.640 1
1 1344 . 1 1 1 A 107 107 ASP HA H 107 4.606 4.816 -0.210 1
1 1347 . 1 1 1 A 107 107 ASP C C 107 176.075 175.870 0.205 1
1 1348 . 1 1 1 A 107 107 ASP CA C 107 54.790 53.254 1.536 1
1 1349 . 1 1 1 A 107 107 ASP CB C 107 40.990 43.573 -2.583 1
1 1350 . 1 1 1 A 108 108 LYS H H 108 8.216 8.734 -0.518 1
1 1351 . 1 1 1 A 108 108 LYS HA H 108 4.326 4.375 -0.049 1
1 1360 . 1 1 1 A 108 108 LYS C C 108 176.490 175.489 1.001 1
1 1361 . 1 1 1 A 108 108 LYS CA C 108 56.140 56.579 -0.439 1
1 1362 . 1 1 1 A 108 108 LYS CB C 108 32.910 31.979 0.931 1
1 1366 . 1 1 1 A 108 108 LYS N N 108 121.982 117.975 4.007 1
1 1367 . 1 1 1 A 109 109 LYS H H 109 8.411 7.306 1.105 1
1 1368 . 1 1 1 A 109 109 LYS HA H 109 4.344 4.807 -0.463 1
1 1377 . 1 1 1 A 109 109 LYS C C 109 175.583 175.204 0.379 1
1 1378 . 1 1 1 A 109 109 LYS CA C 109 56.150 54.454 1.696 1
1 1379 . 1 1 1 A 109 109 LYS CB C 109 33.050 35.544 -2.494 1
1 1383 . 1 1 1 A 109 109 LYS N N 109 122.966 119.678 3.288 1
1 14 . 2 1 1 A 2 2 LEU H H 2 8.858 7.572 1.286 1
1 15 . 2 1 1 A 2 2 LEU HA H 2 4.010 3.745 0.265 1
1 25 . 2 1 1 A 2 2 LEU C C 2 179.512 178.087 1.425 1
1 26 . 2 1 1 A 2 2 LEU CA C 2 57.230 56.559 0.671 1
1 27 . 2 1 1 A 2 2 LEU CB C 2 41.500 41.192 0.308 1
1 31 . 2 1 1 A 2 2 LEU N N 2 124.589 117.566 7.023 1
1 32 . 2 1 1 A 3 3 GLU H H 3 9.299 9.017 0.282 1
1 33 . 2 1 1 A 3 3 GLU HA H 3 4.234 4.456 -0.222 1
1 38 . 2 1 1 A 3 3 GLU C C 3 178.189 178.636 -0.447 1
1 39 . 2 1 1 A 3 3 GLU CA C 3 59.930 58.314 1.616 1
1 40 . 2 1 1 A 3 3 GLU CB C 3 28.810 27.762 1.048 1
1 42 . 2 1 1 A 3 3 GLU N N 3 118.833 121.844 -3.011 1
1 43 . 2 1 1 A 4 4 ASP H H 4 8.188 8.182 0.006 1
1 44 . 2 1 1 A 4 4 ASP HA H 4 4.524 4.454 0.070 1
1 47 . 2 1 1 A 4 4 ASP C C 4 176.722 177.851 -1.129 1
1 48 . 2 1 1 A 4 4 ASP CA C 4 56.240 57.188 -0.948 1
1 49 . 2 1 1 A 4 4 ASP CB C 4 39.910 40.664 -0.754 1
1 50 . 2 1 1 A 4 4 ASP N N 4 118.286 121.954 -3.668 1
1 51 . 2 1 1 A 5 5 TYR H H 5 8.336 7.944 0.392 1
1 52 . 2 1 1 A 5 5 TYR HA H 5 4.284 4.586 -0.302 1
1 59 . 2 1 1 A 5 5 TYR C C 5 172.456 175.806 -3.350 1
1 60 . 2 1 1 A 5 5 TYR CA C 5 58.770 59.223 -0.453 1
1 61 . 2 1 1 A 5 5 TYR CB C 5 37.820 37.588 0.232 1
1 64 . 2 1 1 A 5 5 TYR N N 5 119.641 115.824 3.817 1
1 65 . 2 1 1 A 6 6 ALA H H 6 6.748 7.393 -0.645 1
1 66 . 2 1 1 A 6 6 ALA HA H 6 3.470 3.394 0.076 1
1 70 . 2 1 1 A 6 6 ALA C C 6 178.122 176.232 1.890 1
1 71 . 2 1 1 A 6 6 ALA CA C 6 51.440 51.041 0.399 1
1 72 . 2 1 1 A 6 6 ALA CB C 6 19.600 17.979 1.621 1
1 73 . 2 1 1 A 6 6 ALA N N 6 122.727 123.354 -0.627 1
1 74 . 2 1 1 A 7 7 ILE H H 7 8.665 7.849 0.816 1
1 75 . 2 1 1 A 7 7 ILE HA H 7 4.303 4.266 0.037 1
1 85 . 2 1 1 A 7 7 ILE C C 7 174.386 175.829 -1.443 1
1 86 . 2 1 1 A 7 7 ILE CA C 7 58.640 61.046 -2.406 1
1 87 . 2 1 1 A 7 7 ILE CB C 7 39.820 37.890 1.930 1
1 91 . 2 1 1 A 7 7 ILE N N 7 124.318 123.844 0.474 1
1 92 . 2 1 1 A 8 8 SER H H 8 8.884 8.640 0.244 1
1 93 . 2 1 1 A 8 8 SER HA H 8 4.881 4.497 0.384 1
1 96 . 2 1 1 A 8 8 SER C C 8 176.268 175.239 1.029 1
1 97 . 2 1 1 A 8 8 SER CA C 8 57.157 58.405 -1.248 1
1 98 . 2 1 1 A 8 8 SER CB C 8 64.390 63.992 0.398 1
1 99 . 2 1 1 A 8 8 SER N N 8 122.739 122.455 0.284 1
1 100 . 2 1 1 A 9 9 LEU H H 9 8.077 8.318 -0.241 1
1 101 . 2 1 1 A 9 9 LEU HA H 9 3.652 4.082 -0.430 1
1 111 . 2 1 1 A 9 9 LEU C C 9 175.322 178.697 -3.375 1
1 112 . 2 1 1 A 9 9 LEU CA C 9 57.190 58.323 -1.133 1
1 113 . 2 1 1 A 9 9 LEU CB C 9 42.290 41.434 0.856 1
1 117 . 2 1 1 A 9 9 LEU N N 9 126.321 128.023 -1.702 1
1 118 . 2 1 1 A 10 10 GLU H H 10 8.361 9.621 -1.260 1
1 119 . 2 1 1 A 10 10 GLU HA H 10 3.754 4.403 -0.649 1
1 124 . 2 1 1 A 10 10 GLU C C 10 176.452 177.420 -0.968 1
1 125 . 2 1 1 A 10 10 GLU CA C 10 58.470 58.216 0.254 1
1 126 . 2 1 1 A 10 10 GLU CB C 10 29.480 28.221 1.259 1
1 128 . 2 1 1 A 10 10 GLU N N 10 112.911 117.394 -4.483 1
1 129 . 2 1 1 A 11 11 GLU H H 11 7.284 8.092 -0.808 1
1 130 . 2 1 1 A 11 11 GLU HA H 11 4.531 4.562 -0.031 1
1 135 . 2 1 1 A 11 11 GLU C C 11 176.539 176.271 0.268 1
1 136 . 2 1 1 A 11 11 GLU CA C 11 55.240 56.166 -0.926 1
1 137 . 2 1 1 A 11 11 GLU CB C 11 32.160 30.544 1.616 1
1 139 . 2 1 1 A 11 11 GLU N N 11 114.276 116.145 -1.869 1
1 140 . 2 1 1 A 12 12 VAL H H 12 7.077 7.361 -0.284 1
1 141 . 2 1 1 A 12 12 VAL HA H 12 3.677 3.975 -0.298 1
1 149 . 2 1 1 A 12 12 VAL C C 12 173.900 174.909 -1.009 1
1 150 . 2 1 1 A 12 12 VAL CA C 12 62.510 62.067 0.443 1
1 151 . 2 1 1 A 12 12 VAL CB C 12 31.920 32.056 -0.136 1
1 154 . 2 1 1 A 12 12 VAL N N 12 121.932 121.454 0.478 1
1 155 . 2 1 1 A 13 13 ASN H H 13 7.996 8.681 -0.685 1
1 156 . 2 1 1 A 13 13 ASN HA H 13 4.840 5.307 -0.467 1
1 161 . 2 1 1 A 13 13 ASN C C 13 176.876 175.386 1.490 1
1 162 . 2 1 1 A 13 13 ASN CA C 13 52.168 51.823 0.345 1
1 163 . 2 1 1 A 13 13 ASN CB C 13 38.500 39.743 -1.243 1
1 164 . 2 1 1 A 13 13 ASN N N 13 121.232 125.601 -4.369 1
1 166 . 2 1 1 A 14 14 PHE H H 14 6.268 8.052 -1.784 1
1 167 . 2 1 1 A 14 14 PHE HA H 14 3.868 4.278 -0.410 1
1 175 . 2 1 1 A 14 14 PHE C C 14 176.423 177.815 -1.392 1
1 176 . 2 1 1 A 14 14 PHE CA C 14 62.520 60.709 1.811 1
1 177 . 2 1 1 A 14 14 PHE CB C 14 38.780 38.633 0.147 1
1 181 . 2 1 1 A 14 14 PHE N N 14 120.637 121.911 -1.274 1
1 182 . 2 1 1 A 15 15 ASN H H 15 8.184 8.160 0.024 1
1 183 . 2 1 1 A 15 15 ASN HA H 15 4.602 4.441 0.161 1
1 188 . 2 1 1 A 15 15 ASN C C 15 175.738 177.779 -2.041 1
1 189 . 2 1 1 A 15 15 ASN CA C 15 55.240 56.071 -0.831 1
1 190 . 2 1 1 A 15 15 ASN CB C 15 38.270 37.829 0.441 1
1 191 . 2 1 1 A 15 15 ASN N N 15 113.599 117.370 -3.771 1
1 193 . 2 1 1 A 16 16 ASP H H 16 7.680 7.582 0.098 1
1 194 . 2 1 1 A 16 16 ASP HA H 16 4.450 4.143 0.307 1
1 197 . 2 1 1 A 16 16 ASP C C 16 174.589 175.171 -0.582 1
1 198 . 2 1 1 A 16 16 ASP CA C 16 54.860 55.965 -1.105 1
1 199 . 2 1 1 A 16 16 ASP CB C 16 41.140 40.380 0.760 1
1 200 . 2 1 1 A 16 16 ASP N N 16 117.808 118.969 -1.161 1
1 201 . 2 1 1 A 17 17 PHE H H 17 7.648 7.308 0.340 1
1 202 . 2 1 1 A 17 17 PHE HA H 17 4.788 5.097 -0.309 1
1 210 . 2 1 1 A 17 17 PHE C C 17 175.516 175.005 0.511 1
1 211 . 2 1 1 A 17 17 PHE CA C 17 56.790 56.387 0.403 1
1 212 . 2 1 1 A 17 17 PHE CB C 17 44.090 42.710 1.380 1
1 216 . 2 1 1 A 17 17 PHE N N 17 116.207 115.614 0.593 1
1 217 . 2 1 1 A 18 18 ILE H H 18 8.674 9.027 -0.353 1
1 218 . 2 1 1 A 18 18 ILE HA H 18 4.335 4.747 -0.412 1
1 228 . 2 1 1 A 18 18 ILE C C 18 175.612 175.606 0.006 1
1 229 . 2 1 1 A 18 18 ILE CA C 18 60.930 60.221 0.709 1
1 230 . 2 1 1 A 18 18 ILE CB C 18 37.620 38.739 -1.119 1
1 234 . 2 1 1 A 18 18 ILE N N 18 121.498 121.674 -0.176 1
1 235 . 2 1 1 A 19 19 VAL H H 19 9.009 8.512 0.497 1
1 236 . 2 1 1 A 19 19 VAL HA H 19 4.760 4.838 -0.078 1
1 244 . 2 1 1 A 19 19 VAL C C 19 175.622 175.458 0.164 1
1 245 . 2 1 1 A 19 19 VAL CA C 19 62.974 61.773 1.201 1
1 246 . 2 1 1 A 19 19 VAL CB C 19 32.770 32.451 0.319 1
1 249 . 2 1 1 A 19 19 VAL N N 19 129.378 128.787 0.591 1
1 250 . 2 1 1 A 20 20 VAL H H 20 9.606 9.037 0.569 1
1 251 . 2 1 1 A 20 20 VAL HA H 20 4.581 4.486 0.095 1
1 259 . 2 1 1 A 20 20 VAL C C 20 172.234 174.665 -2.431 1
1 260 . 2 1 1 A 20 20 VAL CA C 20 60.660 60.666 -0.006 1
1 261 . 2 1 1 A 20 20 VAL CB C 20 33.910 35.081 -1.171 1
1 264 . 2 1 1 A 20 20 VAL N N 20 131.965 126.837 5.128 1
1 265 . 2 1 1 A 21 21 ASP H H 21 8.367 8.888 -0.521 1
1 266 . 2 1 1 A 21 21 ASP HA H 21 4.105 4.335 -0.230 1
1 269 . 2 1 1 A 21 21 ASP C C 21 176.182 175.598 0.584 1
1 270 . 2 1 1 A 21 21 ASP CA C 21 50.850 53.279 -2.429 1
1 271 . 2 1 1 A 21 21 ASP CB C 21 43.460 41.057 2.403 1
1 272 . 2 1 1 A 21 21 ASP N N 21 129.516 127.628 1.888 1
1 273 . 2 1 1 A 22 22 VAL H H 22 8.095 7.964 0.131 1
1 274 . 2 1 1 A 22 22 VAL HA H 22 5.720 4.874 0.846 1
1 282 . 2 1 1 A 22 22 VAL C C 22 178.006 174.712 3.294 1
1 283 . 2 1 1 A 22 22 VAL CA C 22 58.990 60.915 -1.925 1
1 284 . 2 1 1 A 22 22 VAL CB C 22 30.150 31.854 -1.704 1
1 287 . 2 1 1 A 22 22 VAL N N 22 114.833 120.491 -5.658 1
1 288 . 2 1 1 A 23 23 ARG H H 23 7.467 8.313 -0.846 1
1 289 . 2 1 1 A 23 23 ARG HA H 23 4.358 4.534 -0.176 1
1 299 . 2 1 1 A 23 23 ARG C C 23 172.157 176.009 -3.852 1
1 300 . 2 1 1 A 23 23 ARG CA C 23 56.190 56.529 -0.339 1
1 301 . 2 1 1 A 23 23 ARG CB C 23 31.230 32.688 -1.458 1
1 304 . 2 1 1 A 23 23 ARG N N 23 120.418 125.082 -4.664 1
1 307 . 2 1 1 A 24 24 GLU H H 24 7.372 7.785 -0.413 1
1 308 . 2 1 1 A 24 24 GLU HA H 24 4.454 4.551 -0.097 1
1 313 . 2 1 1 A 24 24 GLU C C 24 178.807 176.213 2.594 1
1 314 . 2 1 1 A 24 24 GLU CA C 24 53.870 55.851 -1.981 1
1 315 . 2 1 1 A 24 24 GLU CB C 24 31.610 33.506 -1.896 1
1 317 . 2 1 1 A 24 24 GLU N N 24 111.001 115.838 -4.837 1
1 318 . 2 1 1 A 25 25 LEU H H 25 8.842 8.649 0.193 1
1 319 . 2 1 1 A 25 25 LEU HA H 25 3.922 3.938 -0.016 1
1 329 . 2 1 1 A 25 25 LEU C C 25 177.591 177.462 0.129 1
1 330 . 2 1 1 A 25 25 LEU CA C 25 58.800 58.959 -0.159 1
1 331 . 2 1 1 A 25 25 LEU CB C 25 42.000 41.656 0.344 1
1 335 . 2 1 1 A 25 25 LEU N N 25 122.468 126.386 -3.918 1
1 336 . 2 1 1 A 26 26 ASP H H 26 8.671 7.988 0.683 1
1 337 . 2 1 1 A 26 26 ASP HA H 26 4.389 4.495 -0.106 1
1 340 . 2 1 1 A 26 26 ASP C C 26 178.739 178.404 0.335 1
1 341 . 2 1 1 A 26 26 ASP CA C 26 56.540 58.014 -1.474 1
1 342 . 2 1 1 A 26 26 ASP CB C 26 39.570 42.046 -2.476 1
1 343 . 2 1 1 A 26 26 ASP N N 26 114.189 118.309 -4.120 1
1 344 . 2 1 1 A 27 27 GLU H H 27 7.235 8.346 -1.111 1
1 345 . 2 1 1 A 27 27 GLU HA H 27 4.304 4.057 0.247 1
1 350 . 2 1 1 A 27 27 GLU C C 27 177.678 178.739 -1.061 1
1 351 . 2 1 1 A 27 27 GLU CA C 27 58.830 59.022 -0.192 1
1 352 . 2 1 1 A 27 27 GLU CB C 27 30.650 29.651 0.999 1
1 354 . 2 1 1 A 27 27 GLU N N 27 120.618 118.553 2.065 1
1 355 . 2 1 1 A 28 28 TYR H H 28 7.703 8.248 -0.545 1
1 356 . 2 1 1 A 28 28 TYR HA H 28 4.149 4.069 0.080 1
1 363 . 2 1 1 A 28 28 TYR C C 28 177.108 178.078 -0.970 1
1 364 . 2 1 1 A 28 28 TYR CA C 28 60.600 61.360 -0.760 1
1 365 . 2 1 1 A 28 28 TYR CB C 28 39.300 38.485 0.815 1
1 370 . 2 1 1 A 28 28 TYR N N 28 121.871 121.922 -0.051 1
1 371 . 2 1 1 A 29 29 GLU H H 29 8.727 8.083 0.644 1
1 372 . 2 1 1 A 29 29 GLU HA H 29 3.823 3.792 0.031 1
1 377 . 2 1 1 A 29 29 GLU C C 29 177.456 178.681 -1.225 1
1 378 . 2 1 1 A 29 29 GLU CA C 29 58.770 59.684 -0.914 1
1 379 . 2 1 1 A 29 29 GLU CB C 29 29.880 29.484 0.396 1
1 381 . 2 1 1 A 29 29 GLU N N 29 116.326 118.263 -1.937 1
1 382 . 2 1 1 A 30 30 GLU H H 30 7.225 8.248 -1.023 1
1 383 . 2 1 1 A 30 30 GLU HA H 30 4.219 4.206 0.013 1
1 388 . 2 1 1 A 30 30 GLU C C 30 177.012 176.342 0.670 1
1 389 . 2 1 1 A 30 30 GLU CA C 30 59.750 59.289 0.461 1
1 390 . 2 1 1 A 30 30 GLU CB C 30 29.310 28.907 0.403 1
1 392 . 2 1 1 A 30 30 GLU N N 30 119.394 117.793 1.601 1
1 393 . 2 1 1 A 31 31 LEU H H 31 7.512 7.250 0.262 1
1 394 . 2 1 1 A 31 31 LEU HA H 31 5.102 4.504 0.598 1
1 404 . 2 1 1 A 31 31 LEU C C 31 173.363 174.565 -1.202 1
1 405 . 2 1 1 A 31 31 LEU CA C 31 55.760 53.523 2.237 1
1 406 . 2 1 1 A 31 31 LEU CB C 31 42.880 44.466 -1.586 1
1 410 . 2 1 1 A 31 31 LEU N N 31 118.039 116.610 1.429 1
1 411 . 2 1 1 A 32 32 HIS H H 32 8.196 8.255 -0.059 1
1 412 . 2 1 1 A 32 32 HIS HA H 32 4.433 5.023 -0.590 1
1 417 . 2 1 1 A 32 32 HIS C C 32 171.973 172.917 -0.944 1
1 418 . 2 1 1 A 32 32 HIS CA C 32 54.660 54.067 0.593 1
1 419 . 2 1 1 A 32 32 HIS CB C 32 31.500 31.347 0.153 1
1 422 . 2 1 1 A 32 32 HIS N N 32 114.425 115.477 -1.052 1
1 423 . 2 1 1 A 33 33 LEU H H 33 10.099 8.613 1.486 1
1 424 . 2 1 1 A 33 33 LEU HA H 33 4.745 4.047 0.698 1
1 434 . 2 1 1 A 33 33 LEU CA C 33 53.423 53.287 0.136 1
1 435 . 2 1 1 A 33 33 LEU CB C 33 42.750 41.218 1.532 1
1 439 . 2 1 1 A 33 33 LEU N N 33 124.819 121.095 3.724 1
1 440 . 2 1 1 A 34 34 PRO HA H 34 4.328 4.422 -0.094 1
1 447 . 2 1 1 A 34 34 PRO C C 34 177.012 177.682 -0.670 1
1 448 . 2 1 1 A 34 34 PRO CA C 34 64.440 64.326 0.114 1
1 449 . 2 1 1 A 34 34 PRO CB C 34 31.660 31.704 -0.044 1
1 452 . 2 1 1 A 35 35 ASN H H 35 8.736 8.488 0.248 1
1 453 . 2 1 1 A 35 35 ASN HA H 35 4.701 4.705 -0.004 1
1 458 . 2 1 1 A 35 35 ASN C C 35 174.801 175.680 -0.879 1
1 459 . 2 1 1 A 35 35 ASN CA C 35 53.470 53.939 -0.469 1
1 460 . 2 1 1 A 35 35 ASN CB C 35 37.650 39.378 -1.728 1
1 461 . 2 1 1 A 35 35 ASN N N 35 113.231 116.025 -2.794 1
1 463 . 2 1 1 A 36 36 ALA H H 36 7.434 7.287 0.147 1
1 464 . 2 1 1 A 36 36 ALA HA H 36 4.523 4.527 -0.004 1
1 468 . 2 1 1 A 36 36 ALA C C 36 177.494 177.040 0.454 1
1 469 . 2 1 1 A 36 36 ALA CA C 36 52.700 50.779 1.921 1
1 470 . 2 1 1 A 36 36 ALA CB C 36 21.760 20.538 1.222 1
1 471 . 2 1 1 A 36 36 ALA N N 36 122.419 121.757 0.662 1
1 472 . 2 1 1 A 37 37 THR H H 37 8.334 8.668 -0.334 1
1 473 . 2 1 1 A 37 37 THR HA H 37 4.184 4.502 -0.318 1
1 479 . 2 1 1 A 37 37 THR C C 37 172.359 173.948 -1.589 1
1 480 . 2 1 1 A 37 37 THR CA C 37 63.020 62.419 0.601 1
1 481 . 2 1 1 A 37 37 THR CB C 37 69.800 69.070 0.730 1
1 483 . 2 1 1 A 37 37 THR N N 37 121.183 119.254 1.929 1
1 484 . 2 1 1 A 38 38 LEU H H 38 8.306 8.612 -0.306 1
1 485 . 2 1 1 A 38 38 LEU HA H 38 4.815 4.362 0.453 1
1 495 . 2 1 1 A 38 38 LEU C C 38 176.529 174.999 1.530 1
1 496 . 2 1 1 A 38 38 LEU CA C 38 53.873 55.181 -1.308 1
1 497 . 2 1 1 A 38 38 LEU CB C 38 41.830 41.815 0.015 1
1 501 . 2 1 1 A 38 38 LEU N N 38 130.981 130.186 0.795 1
1 502 . 2 1 1 A 39 39 ILE H H 39 8.612 8.401 0.211 1
1 503 . 2 1 1 A 39 39 ILE HA H 39 3.779 4.676 -0.897 1
1 513 . 2 1 1 A 39 39 ILE C C 39 172.186 174.508 -2.322 1
1 514 . 2 1 1 A 39 39 ILE CA C 39 62.040 59.871 2.169 1
1 515 . 2 1 1 A 39 39 ILE CB C 39 40.360 42.228 -1.868 1
1 519 . 2 1 1 A 39 39 ILE N N 39 131.100 129.168 1.932 1
1 520 . 2 1 1 A 40 40 SER H H 40 8.123 8.934 -0.811 1
1 521 . 2 1 1 A 40 40 SER HA H 40 3.904 4.606 -0.702 1
1 524 . 2 1 1 A 40 40 SER C C 40 177.629 175.532 2.097 1
1 525 . 2 1 1 A 40 40 SER CA C 40 58.810 58.147 0.663 1
1 526 . 2 1 1 A 40 40 SER CB C 40 63.090 64.364 -1.274 1
1 527 . 2 1 1 A 40 40 SER N N 40 118.068 122.424 -4.356 1
1 528 . 2 1 1 A 41 41 VAL H H 41 7.739 8.564 -0.825 1
1 529 . 2 1 1 A 41 41 VAL HA H 41 3.913 3.844 0.069 1
1 537 . 2 1 1 A 41 41 VAL C C 41 174.714 176.993 -2.279 1
1 538 . 2 1 1 A 41 41 VAL CA C 41 58.990 64.933 -5.943 1
1 539 . 2 1 1 A 41 41 VAL CB C 41 31.730 31.848 -0.118 1
1 542 . 2 1 1 A 41 41 VAL N N 41 124.290 127.123 -2.833 1
1 543 . 2 1 1 A 42 42 ASN H H 42 8.344 8.573 -0.229 1
1 544 . 2 1 1 A 42 42 ASN HA H 42 4.630 4.621 0.009 1
1 549 . 2 1 1 A 42 42 ASN C C 42 175.699 175.413 0.286 1
1 550 . 2 1 1 A 42 42 ASN CA C 42 54.860 54.438 0.422 1
1 551 . 2 1 1 A 42 42 ASN CB C 42 38.610 37.617 0.993 1
1 552 . 2 1 1 A 42 42 ASN N N 42 116.715 116.333 0.382 1
1 554 . 2 1 1 A 43 43 ASP H H 43 8.417 7.449 0.968 1
1 555 . 2 1 1 A 43 43 ASP HA H 43 5.021 4.881 0.140 1
1 558 . 2 1 1 A 43 43 ASP C C 43 175.699 176.118 -0.419 1
1 559 . 2 1 1 A 43 43 ASP CA C 43 52.300 52.589 -0.289 1
1 560 . 2 1 1 A 43 43 ASP CB C 43 39.540 38.664 0.876 1
1 561 . 2 1 1 A 43 43 ASP N N 43 125.038 119.941 5.097 1
1 562 . 2 1 1 A 44 44 GLN H H 44 7.762 8.057 -0.295 1
1 563 . 2 1 1 A 44 44 GLN HA H 44 3.815 4.031 -0.216 1
1 570 . 2 1 1 A 44 44 GLN C C 44 178.430 178.060 0.370 1
1 571 . 2 1 1 A 44 44 GLN CA C 44 59.650 58.889 0.761 1
1 572 . 2 1 1 A 44 44 GLN CB C 44 28.760 28.355 0.405 1
1 574 . 2 1 1 A 44 44 GLN N N 44 119.490 123.092 -3.602 1
1 576 . 2 1 1 A 45 45 GLU H H 45 8.705 8.414 0.291 1
1 577 . 2 1 1 A 45 45 GLU HA H 45 4.059 4.066 -0.007 1
1 582 . 2 1 1 A 45 45 GLU C C 45 178.739 178.869 -0.130 1
1 583 . 2 1 1 A 45 45 GLU CA C 45 59.660 59.356 0.304 1
1 584 . 2 1 1 A 45 45 GLU CB C 45 28.900 29.027 -0.127 1
1 586 . 2 1 1 A 45 45 GLU N N 45 119.373 118.559 0.814 1
1 587 . 2 1 1 A 46 46 LYS H H 46 7.545 7.728 -0.183 1
1 588 . 2 1 1 A 46 46 LYS HA H 46 4.119 4.150 -0.031 1
1 597 . 2 1 1 A 46 46 LYS C C 46 179.579 178.746 0.833 1
1 598 . 2 1 1 A 46 46 LYS CA C 46 58.940 59.032 -0.092 1
1 599 . 2 1 1 A 46 46 LYS CB C 46 32.750 31.812 0.938 1
1 603 . 2 1 1 A 46 46 LYS N N 46 120.645 119.812 0.833 1
1 604 . 2 1 1 A 47 47 LEU H H 47 8.005 7.817 0.188 1
1 605 . 2 1 1 A 47 47 LEU HA H 47 4.059 4.068 -0.009 1
1 615 . 2 1 1 A 47 47 LEU C C 47 177.436 178.186 -0.750 1
1 616 . 2 1 1 A 47 47 LEU CA C 47 58.090 57.821 0.269 1
1 617 . 2 1 1 A 47 47 LEU CB C 47 41.150 41.431 -0.281 1
1 621 . 2 1 1 A 47 47 LEU N N 47 122.201 121.191 1.010 1
1 622 . 2 1 1 A 48 48 ALA H H 48 8.239 8.410 -0.171 1
1 623 . 2 1 1 A 48 48 ALA HA H 48 3.733 3.767 -0.034 1
1 627 . 2 1 1 A 48 48 ALA C C 48 179.347 179.111 0.236 1
1 628 . 2 1 1 A 48 48 ALA CA C 48 55.420 54.969 0.451 1
1 629 . 2 1 1 A 48 48 ALA CB C 48 18.240 18.013 0.227 1
1 630 . 2 1 1 A 48 48 ALA N N 48 121.483 120.723 0.760 1
1 631 . 2 1 1 A 49 49 ASP H H 49 8.001 7.765 0.236 1
1 632 . 2 1 1 A 49 49 ASP HA H 49 4.308 4.308 0.000 1
1 635 . 2 1 1 A 49 49 ASP C C 49 179.106 178.222 0.884 1
1 636 . 2 1 1 A 49 49 ASP CA C 49 57.350 57.263 0.087 1
1 637 . 2 1 1 A 49 49 ASP CB C 49 41.250 41.404 -0.154 1
1 638 . 2 1 1 A 49 49 ASP N N 49 117.231 119.047 -1.816 1
1 639 . 2 1 1 A 50 50 PHE H H 50 8.265 8.137 0.128 1
1 640 . 2 1 1 A 50 50 PHE HA H 50 4.101 4.010 0.091 1
1 647 . 2 1 1 A 50 50 PHE C C 50 179.048 177.181 1.867 1
1 648 . 2 1 1 A 50 50 PHE CA C 50 62.590 61.350 1.240 1
1 649 . 2 1 1 A 50 50 PHE CB C 50 39.810 39.068 0.742 1
1 651 . 2 1 1 A 50 50 PHE N N 50 122.379 120.129 2.250 1
1 652 . 2 1 1 A 51 51 LEU H H 51 8.653 8.134 0.519 1
1 653 . 2 1 1 A 51 51 LEU HA H 51 3.789 3.702 0.087 1
1 663 . 2 1 1 A 51 51 LEU C C 51 180.400 179.294 1.106 1
1 664 . 2 1 1 A 51 51 LEU CA C 51 58.140 57.721 0.419 1
1 665 . 2 1 1 A 51 51 LEU CB C 51 38.770 41.456 -2.686 1
1 669 . 2 1 1 A 51 51 LEU N N 51 120.277 120.942 -0.665 1
1 670 . 2 1 1 A 52 52 SER H H 52 8.332 8.019 0.313 1
1 671 . 2 1 1 A 52 52 SER HA H 52 4.160 4.274 -0.114 1
1 674 . 2 1 1 A 52 52 SER C C 52 176.220 176.874 -0.654 1
1 675 . 2 1 1 A 52 52 SER CA C 52 61.840 61.002 0.838 1
1 676 . 2 1 1 A 52 52 SER CB C 52 62.850 63.194 -0.344 1
1 677 . 2 1 1 A 52 52 SER N N 52 115.630 113.533 2.097 1
1 678 . 2 1 1 A 53 53 GLN H H 53 7.405 7.663 -0.258 1
1 679 . 2 1 1 A 53 53 GLN HA H 53 4.092 4.003 0.089 1
1 686 . 2 1 1 A 53 53 GLN C C 53 176.046 175.736 0.310 1
1 687 . 2 1 1 A 53 53 GLN CA C 53 56.560 58.551 -1.991 1
1 688 . 2 1 1 A 53 53 GLN CB C 53 28.580 28.549 0.031 1
1 690 . 2 1 1 A 53 53 GLN N N 53 119.056 118.724 0.332 1
1 692 . 2 1 1 A 54 54 HIS H H 54 7.311 7.863 -0.552 1
1 693 . 2 1 1 A 54 54 HIS HA H 54 4.754 4.909 -0.155 1
1 696 . 2 1 1 A 54 54 HIS C C 54 175.467 175.050 0.417 1
1 697 . 2 1 1 A 54 54 HIS CA C 54 55.562 54.224 1.338 1
1 698 . 2 1 1 A 54 54 HIS CB C 54 29.650 29.543 0.107 1
1 699 . 2 1 1 A 54 54 HIS N N 54 117.800 116.461 1.339 1
1 700 . 2 1 1 A 55 55 LYS H H 55 7.646 8.519 -0.873 1
1 701 . 2 1 1 A 55 55 LYS HA H 55 4.296 4.482 -0.186 1
1 710 . 2 1 1 A 55 55 LYS C C 55 176.741 176.514 0.227 1
1 711 . 2 1 1 A 55 55 LYS CA C 55 58.710 58.721 -0.011 1
1 712 . 2 1 1 A 55 55 LYS CB C 55 32.370 32.612 -0.242 1
1 716 . 2 1 1 A 55 55 LYS N N 55 119.903 125.359 -5.456 1
1 717 . 2 1 1 A 56 56 ASP H H 56 8.853 7.858 0.995 1
1 718 . 2 1 1 A 56 56 ASP HA H 56 4.655 4.776 -0.121 1
1 721 . 2 1 1 A 56 56 ASP C C 56 175.158 174.616 0.542 1
1 722 . 2 1 1 A 56 56 ASP CA C 56 53.930 53.194 0.736 1
1 723 . 2 1 1 A 56 56 ASP CB C 56 40.220 41.112 -0.892 1
1 724 . 2 1 1 A 56 56 ASP N N 56 116.429 116.667 -0.238 1
1 725 . 2 1 1 A 57 57 LYS H H 57 7.655 8.250 -0.595 1
1 726 . 2 1 1 A 57 57 LYS HA H 57 4.701 5.091 -0.390 1
1 735 . 2 1 1 A 57 57 LYS C C 57 175.236 174.960 0.276 1
1 736 . 2 1 1 A 57 57 LYS CA C 57 53.830 54.420 -0.590 1
1 737 . 2 1 1 A 57 57 LYS CB C 57 35.550 35.764 -0.214 1
1 741 . 2 1 1 A 57 57 LYS N N 57 119.510 118.132 1.378 1
1 742 . 2 1 1 A 58 58 LYS H H 58 8.265 8.539 -0.274 1
1 743 . 2 1 1 A 58 58 LYS HA H 58 4.745 4.786 -0.041 1
1 752 . 2 1 1 A 58 58 LYS C C 58 175.651 175.608 0.043 1
1 753 . 2 1 1 A 58 58 LYS CA C 58 56.870 56.492 0.378 1
1 754 . 2 1 1 A 58 58 LYS CB C 58 33.250 33.181 0.069 1
1 758 . 2 1 1 A 58 58 LYS N N 58 120.091 123.067 -2.976 1
1 759 . 2 1 1 A 59 59 VAL H H 59 9.233 9.305 -0.072 1
1 760 . 2 1 1 A 59 59 VAL HA H 59 5.231 5.468 -0.237 1
1 768 . 2 1 1 A 59 59 VAL C C 59 173.556 174.683 -1.127 1
1 769 . 2 1 1 A 59 59 VAL CA C 59 60.930 61.196 -0.266 1
1 770 . 2 1 1 A 59 59 VAL CB C 59 34.300 35.216 -0.916 1
1 772 . 2 1 1 A 59 59 VAL N N 59 127.047 127.245 -0.198 1
1 773 . 2 1 1 A 60 60 LEU H H 60 9.228 8.777 0.451 1
1 774 . 2 1 1 A 60 60 LEU HA H 60 4.815 4.943 -0.128 1
1 784 . 2 1 1 A 60 60 LEU C C 60 173.421 174.979 -1.558 1
1 785 . 2 1 1 A 60 60 LEU CA C 60 52.586 53.982 -1.396 1
1 786 . 2 1 1 A 60 60 LEU CB C 60 45.660 44.794 0.866 1
1 790 . 2 1 1 A 60 60 LEU N N 60 129.197 128.108 1.089 1
1 791 . 2 1 1 A 61 61 LEU H H 61 9.055 9.033 0.022 1
1 792 . 2 1 1 A 61 61 LEU HA H 61 5.713 4.898 0.815 1
1 802 . 2 1 1 A 61 61 LEU C C 61 176.683 176.788 -0.105 1
1 803 . 2 1 1 A 61 61 LEU CA C 61 52.760 54.220 -1.460 1
1 804 . 2 1 1 A 61 61 LEU CB C 61 43.220 41.094 2.126 1
1 808 . 2 1 1 A 61 61 LEU N N 61 125.903 128.690 -2.787 1
1 809 . 2 1 1 A 62 62 HIS H H 62 9.148 8.828 0.320 1
1 810 . 2 1 1 A 62 62 HIS HA H 62 5.440 5.288 0.152 1
1 816 . 2 1 1 A 62 62 HIS C C 62 172.301 173.854 -1.553 1
1 817 . 2 1 1 A 62 62 HIS CA C 62 54.580 54.304 0.276 1
1 818 . 2 1 1 A 62 62 HIS CB C 62 33.980 31.486 2.494 1
1 821 . 2 1 1 A 62 62 HIS N N 62 119.183 122.108 -2.925 1
1 823 . 2 1 1 A 63 63 CYS H H 63 9.389 8.140 1.249 1
1 824 . 2 1 1 A 63 63 CYS HA H 63 5.021 4.774 0.247 1
1 827 . 2 1 1 A 63 63 CYS C C 63 177.649 175.302 2.347 1
1 828 . 2 1 1 A 63 63 CYS CA C 63 56.460 57.061 -0.601 1
1 829 . 2 1 1 A 63 63 CYS CB C 63 29.400 30.690 -1.290 1
1 830 . 2 1 1 A 63 63 CYS N N 63 120.896 119.640 1.256 1
1 831 . 2 1 1 A 64 64 ARG H H 64 8.658 8.823 -0.165 1
1 832 . 2 1 1 A 64 64 ARG HA H 64 4.425 3.917 0.508 1
1 839 . 2 1 1 A 64 64 ARG C C 64 174.724 177.536 -2.812 1
1 840 . 2 1 1 A 64 64 ARG CA C 64 59.000 59.424 -0.424 1
1 841 . 2 1 1 A 64 64 ARG CB C 64 30.820 29.896 0.924 1
1 844 . 2 1 1 A 64 64 ARG N N 64 130.651 126.683 3.968 1
1 845 . 2 1 1 A 65 65 ALA H H 65 8.166 7.690 0.476 1
1 846 . 2 1 1 A 65 65 ALA HA H 65 5.399 4.499 0.900 1
1 850 . 2 1 1 A 65 65 ALA C C 65 177.909 177.571 0.338 1
1 851 . 2 1 1 A 65 65 ALA CA C 65 52.020 53.499 -1.479 1
1 852 . 2 1 1 A 65 65 ALA CB C 65 20.270 21.194 -0.924 1
1 853 . 2 1 1 A 65 65 ALA N N 65 118.548 119.483 -0.935 1
1 854 . 2 1 1 A 66 66 GLY H H 66 9.300 7.145 2.155 1
1 855 . 2 1 1 A 66 66 GLY HA2 H 66 4.872 4.115 0.757 1
1 856 . 2 1 1 A 66 66 GLY HA3 H 66 4.450 4.135 0.315 1
1 857 . 2 1 1 A 66 66 GLY C C 66 176.761 174.909 1.852 1
1 858 . 2 1 1 A 66 66 GLY CA C 66 46.630 45.654 0.976 1
1 859 . 2 1 1 A 66 66 GLY N N 66 114.644 105.245 9.399 1
1 860 . 2 1 1 A 67 67 ARG H H 67 8.118 8.063 0.055 1
1 861 . 2 1 1 A 67 67 ARG HA H 67 4.141 4.076 0.065 1
1 871 . 2 1 1 A 67 67 ARG C C 67 178.691 178.818 -0.127 1
1 872 . 2 1 1 A 67 67 ARG CA C 67 60.930 58.453 2.477 1
1 873 . 2 1 1 A 67 67 ARG CB C 67 31.240 29.780 1.460 1
1 876 . 2 1 1 A 67 67 ARG N N 67 121.922 121.866 0.056 1
1 879 . 2 1 1 A 68 68 ARG H H 68 9.366 7.577 1.789 1
1 880 . 2 1 1 A 68 68 ARG HA H 68 4.282 3.967 0.315 1
1 887 . 2 1 1 A 68 68 ARG C C 68 178.681 178.975 -0.294 1
1 888 . 2 1 1 A 68 68 ARG CA C 68 59.410 59.130 0.280 1
1 889 . 2 1 1 A 68 68 ARG CB C 68 30.760 29.884 0.876 1
1 892 . 2 1 1 A 68 68 ARG N N 68 123.821 119.010 4.811 1
1 893 . 2 1 1 A 69 69 ALA H H 69 10.112 8.087 2.025 1
1 894 . 2 1 1 A 69 69 ALA HA H 69 3.800 4.076 -0.276 1
1 898 . 2 1 1 A 69 69 ALA C C 69 178.334 179.767 -1.433 1
1 899 . 2 1 1 A 69 69 ALA CA C 69 55.960 55.200 0.760 1
1 900 . 2 1 1 A 69 69 ALA CB C 69 17.730 18.711 -0.981 1
1 901 . 2 1 1 A 69 69 ALA N N 69 125.465 122.206 3.259 1
1 902 . 2 1 1 A 70 70 LEU H H 70 7.746 7.659 0.087 1
1 903 . 2 1 1 A 70 70 LEU HA H 70 3.340 2.945 0.395 1
1 913 . 2 1 1 A 70 70 LEU C C 70 177.996 177.746 0.250 1
1 914 . 2 1 1 A 70 70 LEU CA C 70 57.950 57.718 0.232 1
1 915 . 2 1 1 A 70 70 LEU CB C 70 40.720 41.579 -0.859 1
1 919 . 2 1 1 A 70 70 LEU N N 70 118.427 119.418 -0.991 1
1 920 . 2 1 1 A 71 71 ASP H H 71 7.662 8.423 -0.761 1
1 921 . 2 1 1 A 71 71 ASP HA H 71 4.236 4.133 0.103 1
1 924 . 2 1 1 A 71 71 ASP C C 71 179.560 178.032 1.528 1
1 925 . 2 1 1 A 71 71 ASP CA C 71 57.880 57.773 0.107 1
1 926 . 2 1 1 A 71 71 ASP CB C 71 40.340 41.841 -1.501 1
1 927 . 2 1 1 A 71 71 ASP N N 71 120.180 118.669 1.511 1
1 928 . 2 1 1 A 72 72 ALA H H 72 8.796 7.694 1.102 1
1 929 . 2 1 1 A 72 72 ALA HA H 72 4.101 4.098 0.003 1
1 933 . 2 1 1 A 72 72 ALA C C 72 179.203 179.539 -0.336 1
1 934 . 2 1 1 A 72 72 ALA CA C 72 54.670 54.982 -0.312 1
1 935 . 2 1 1 A 72 72 ALA CB C 72 18.490 18.219 0.271 1
1 936 . 2 1 1 A 72 72 ALA N N 72 122.299 120.770 1.529 1
1 937 . 2 1 1 A 73 73 ALA H H 73 8.672 7.659 1.013 1
1 938 . 2 1 1 A 73 73 ALA HA H 73 3.758 4.144 -0.386 1
1 942 . 2 1 1 A 73 73 ALA C C 73 179.251 179.706 -0.455 1
1 943 . 2 1 1 A 73 73 ALA CA C 73 55.950 55.236 0.714 1
1 944 . 2 1 1 A 73 73 ALA CB C 73 17.660 18.262 -0.602 1
1 945 . 2 1 1 A 73 73 ALA N N 73 121.294 120.016 1.278 1
1 946 . 2 1 1 A 74 74 LYS H H 74 8.914 8.052 0.862 1
1 947 . 2 1 1 A 74 74 LYS HA H 74 3.790 3.885 -0.095 1
1 956 . 2 1 1 A 74 74 LYS C C 74 179.589 179.441 0.148 1
1 957 . 2 1 1 A 74 74 LYS CA C 74 60.620 59.319 1.301 1
1 958 . 2 1 1 A 74 74 LYS CB C 74 32.330 32.317 0.013 1
1 962 . 2 1 1 A 74 74 LYS N N 74 119.404 117.785 1.619 1
1 963 . 2 1 1 A 75 75 SER H H 75 7.874 7.841 0.033 1
1 964 . 2 1 1 A 75 75 SER HA H 75 4.272 4.101 0.171 1
1 967 . 2 1 1 A 75 75 SER C C 75 176.944 176.886 0.058 1
1 968 . 2 1 1 A 75 75 SER CA C 75 61.840 61.914 -0.074 1
1 969 . 2 1 1 A 75 75 SER CB C 75 62.990 62.697 0.293 1
1 970 . 2 1 1 A 75 75 SER N N 75 114.306 115.921 -1.615 1
1 971 . 2 1 1 A 76 76 MET H H 76 8.401 7.796 0.605 1
1 972 . 2 1 1 A 76 76 MET HA H 76 4.881 4.490 0.391 1
1 980 . 2 1 1 A 76 76 MET C C 76 179.811 178.840 0.971 1
1 981 . 2 1 1 A 76 76 MET CA C 76 56.060 58.138 -2.078 1
1 982 . 2 1 1 A 76 76 MET CB C 76 34.780 32.236 2.544 1
1 985 . 2 1 1 A 76 76 MET N N 76 119.510 119.747 -0.237 1
1 986 . 2 1 1 A 77 77 HIS H H 77 9.450 8.177 1.273 1
1 987 . 2 1 1 A 77 77 HIS HA H 77 5.148 4.769 0.379 1
1 992 . 2 1 1 A 77 77 HIS C C 77 181.596 177.956 3.640 1
1 993 . 2 1 1 A 77 77 HIS CA C 77 59.550 59.131 0.419 1
1 994 . 2 1 1 A 77 77 HIS CB C 77 30.720 29.649 1.071 1
1 997 . 2 1 1 A 77 77 HIS N N 77 123.245 117.909 5.336 1
1 998 . 2 1 1 A 78 78 GLU H H 78 7.832 7.913 -0.081 1
1 999 . 2 1 1 A 78 78 GLU HA H 78 4.159 4.148 0.011 1
1 1004 . 2 1 1 A 78 78 GLU C C 78 177.909 179.134 -1.225 1
1 1005 . 2 1 1 A 78 78 GLU CA C 78 59.110 58.906 0.204 1
1 1006 . 2 1 1 A 78 78 GLU CB C 78 29.380 29.114 0.266 1
1 1008 . 2 1 1 A 78 78 GLU N N 78 121.124 120.307 0.817 1
1 1009 . 2 1 1 A 79 79 LEU H H 79 7.161 7.391 -0.230 1
1 1010 . 2 1 1 A 79 79 LEU HA H 79 4.360 4.139 0.221 1
1 1020 . 2 1 1 A 79 79 LEU C C 79 176.934 176.701 0.233 1
1 1021 . 2 1 1 A 79 79 LEU CA C 79 54.820 55.629 -0.809 1
1 1022 . 2 1 1 A 79 79 LEU CB C 79 43.300 42.711 0.589 1
1 1026 . 2 1 1 A 79 79 LEU N N 79 116.655 118.219 -1.564 1
1 1027 . 2 1 1 A 80 80 GLY H H 80 7.545 7.442 0.103 1
1 1028 . 2 1 1 A 80 80 GLY HA2 H 80 4.101 3.866 0.235 1
1 1029 . 2 1 1 A 80 80 GLY HA3 H 80 3.580 3.950 -0.370 1
1 1030 . 2 1 1 A 80 80 GLY C C 80 174.116 174.510 -0.394 1
1 1031 . 2 1 1 A 80 80 GLY CA C 80 45.010 44.993 0.017 1
1 1032 . 2 1 1 A 80 80 GLY N N 80 105.216 105.415 -0.199 1
1 1033 . 2 1 1 A 81 81 TYR H H 81 7.519 7.583 -0.064 1
1 1034 . 2 1 1 A 81 81 TYR HA H 81 4.727 4.519 0.208 1
1 1041 . 2 1 1 A 81 81 TYR C C 81 174.377 175.071 -0.694 1
1 1042 . 2 1 1 A 81 81 TYR CA C 81 56.960 58.189 -1.229 1
1 1043 . 2 1 1 A 81 81 TYR CB C 81 40.310 39.197 1.113 1
1 1046 . 2 1 1 A 81 81 TYR N N 81 119.660 120.123 -0.463 1
1 1047 . 2 1 1 A 82 82 THR H H 82 8.786 8.787 -0.001 1
1 1048 . 2 1 1 A 82 82 THR HA H 82 3.390 3.821 -0.431 1
1 1053 . 2 1 1 A 82 82 THR CA C 82 57.030 58.341 -1.311 1
1 1054 . 2 1 1 A 82 82 THR CB C 82 68.740 68.915 -0.175 1
1 1056 . 2 1 1 A 82 82 THR N N 82 105.368 113.713 -8.345 1
1 1057 . 2 1 1 A 83 83 PRO HA H 83 5.003 4.819 0.184 1
1 1064 . 2 1 1 A 83 83 PRO C C 83 175.699 176.665 -0.966 1
1 1065 . 2 1 1 A 83 83 PRO CA C 83 63.140 62.548 0.592 1
1 1066 . 2 1 1 A 83 83 PRO CB C 83 31.570 32.381 -0.811 1
1 1069 . 2 1 1 A 84 84 TYR H H 84 9.497 8.699 0.798 1
1 1070 . 2 1 1 A 84 84 TYR HA H 84 5.482 5.210 0.272 1
1 1077 . 2 1 1 A 84 84 TYR C C 84 175.506 175.369 0.137 1
1 1078 . 2 1 1 A 84 84 TYR CA C 84 57.570 57.901 -0.331 1
1 1079 . 2 1 1 A 84 84 TYR CB C 84 40.500 39.283 1.217 1
1 1082 . 2 1 1 A 84 84 TYR N N 84 119.880 120.908 -1.028 1
1 1083 . 2 1 1 A 85 85 TYR H H 85 8.570 8.326 0.244 1
1 1084 . 2 1 1 A 85 85 TYR HA H 85 5.730 5.492 0.238 1
1 1089 . 2 1 1 A 85 85 TYR C C 85 172.215 172.279 -0.064 1
1 1090 . 2 1 1 A 85 85 TYR CA C 85 55.240 56.030 -0.790 1
1 1091 . 2 1 1 A 85 85 TYR CB C 85 40.830 41.485 -0.655 1
1 1093 . 2 1 1 A 85 85 TYR N N 85 116.764 118.015 -1.251 1
1 1094 . 2 1 1 A 86 86 LEU H H 86 8.196 9.169 -0.973 1
1 1095 . 2 1 1 A 86 86 LEU HA H 86 4.881 5.143 -0.262 1
1 1105 . 2 1 1 A 86 86 LEU C C 86 177.552 174.847 2.705 1
1 1106 . 2 1 1 A 86 86 LEU CA C 86 53.376 53.531 -0.155 1
1 1107 . 2 1 1 A 86 86 LEU CB C 86 44.360 45.258 -0.898 1
1 1111 . 2 1 1 A 86 86 LEU N N 86 121.589 123.354 -1.765 1
1 1112 . 2 1 1 A 87 87 GLU H H 87 9.146 8.628 0.518 1
1 1113 . 2 1 1 A 87 87 GLU HA H 87 4.797 4.904 -0.107 1
1 1118 . 2 1 1 A 87 87 GLU C C 87 174.965 176.660 -1.695 1
1 1119 . 2 1 1 A 87 87 GLU CA C 87 55.405 55.924 -0.519 1
1 1120 . 2 1 1 A 87 87 GLU CB C 87 30.010 30.432 -0.422 1
1 1122 . 2 1 1 A 87 87 GLU N N 87 128.779 126.754 2.025 1
1 1123 . 2 1 1 A 88 88 GLY H H 88 7.349 8.142 -0.793 1
1 1124 . 2 1 1 A 88 88 GLY HA2 H 88 4.110 4.228 -0.118 1
1 1125 . 2 1 1 A 88 88 GLY HA3 H 88 4.023 4.342 -0.319 1
1 1126 . 2 1 1 A 88 88 GLY C C 88 170.593 171.959 -1.366 1
1 1127 . 2 1 1 A 88 88 GLY CA C 88 44.970 46.055 -1.085 1
1 1128 . 2 1 1 A 88 88 GLY N N 88 112.564 110.964 1.600 1
1 1129 . 2 1 1 A 89 89 ASN H H 89 8.756 8.572 0.184 1
1 1130 . 2 1 1 A 89 89 ASN HA H 89 5.722 5.216 0.506 1
1 1135 . 2 1 1 A 89 89 ASN C C 89 176.336 175.915 0.421 1
1 1136 . 2 1 1 A 89 89 ASN CA C 89 52.210 53.819 -1.609 1
1 1137 . 2 1 1 A 89 89 ASN CB C 89 40.950 38.820 2.130 1
1 1138 . 2 1 1 A 89 89 ASN N N 89 121.363 119.777 1.586 1
1 1140 . 2 1 1 A 90 90 VAL H H 90 8.928 8.192 0.736 1
1 1141 . 2 1 1 A 90 90 VAL HA H 90 4.425 2.312 2.113 1
1 1149 . 2 1 1 A 90 90 VAL C C 90 175.660 176.802 -1.142 1
1 1150 . 2 1 1 A 90 90 VAL CA C 90 58.930 64.016 -5.086 1
1 1151 . 2 1 1 A 90 90 VAL CB C 90 30.860 31.540 -0.680 1
1 1154 . 2 1 1 A 90 90 VAL N N 90 128.990 125.790 3.200 1
1 1155 . 2 1 1 A 91 91 TYR H H 91 8.330 7.606 0.724 1
1 1156 . 2 1 1 A 91 91 TYR HA H 91 4.016 4.350 -0.334 1
1 1163 . 2 1 1 A 91 91 TYR C C 91 175.718 176.673 -0.955 1
1 1164 . 2 1 1 A 91 91 TYR CA C 91 61.700 61.720 -0.020 1
1 1165 . 2 1 1 A 91 91 TYR CB C 91 36.580 37.623 -1.043 1
1 1168 . 2 1 1 A 91 91 TYR N N 91 119.510 119.434 0.076 1
1 1169 . 2 1 1 A 92 92 ASP H H 92 8.654 7.532 1.122 1
1 1170 . 2 1 1 A 92 92 ASP HA H 92 5.146 4.847 0.299 1
1 1173 . 2 1 1 A 92 92 ASP C C 92 177.224 177.323 -0.099 1
1 1174 . 2 1 1 A 92 92 ASP CA C 92 54.290 54.374 -0.084 1
1 1175 . 2 1 1 A 92 92 ASP CB C 92 42.670 41.767 0.903 1
1 1176 . 2 1 1 A 92 92 ASP N N 92 117.541 120.423 -2.882 1
1 1177 . 2 1 1 A 93 93 PHE H H 93 7.673 7.618 0.055 1
1 1178 . 2 1 1 A 93 93 PHE HA H 93 4.688 4.503 0.185 1
1 1186 . 2 1 1 A 93 93 PHE C C 93 179.270 178.466 0.804 1
1 1187 . 2 1 1 A 93 93 PHE CA C 93 60.340 61.490 -1.150 1
1 1188 . 2 1 1 A 93 93 PHE CB C 93 36.010 38.280 -2.270 1
1 1192 . 2 1 1 A 93 93 PHE N N 93 123.205 117.839 5.366 1
1 1193 . 2 1 1 A 94 94 GLU H H 94 9.164 8.488 0.676 1
1 1194 . 2 1 1 A 94 94 GLU HA H 94 4.676 4.530 0.146 1
1 1199 . 2 1 1 A 94 94 GLU C C 94 180.805 179.061 1.744 1
1 1200 . 2 1 1 A 94 94 GLU CA C 94 59.240 59.738 -0.498 1
1 1201 . 2 1 1 A 94 94 GLU CB C 94 29.640 29.736 -0.096 1
1 1203 . 2 1 1 A 94 94 GLU N N 94 118.657 119.848 -1.191 1
1 1204 . 2 1 1 A 95 95 LYS H H 95 8.005 8.310 -0.305 1
1 1205 . 2 1 1 A 95 95 LYS HA H 95 4.103 4.182 -0.079 1
1 1214 . 2 1 1 A 95 95 LYS C C 95 177.948 178.476 -0.528 1
1 1215 . 2 1 1 A 95 95 LYS CA C 95 58.680 59.107 -0.427 1
1 1216 . 2 1 1 A 95 95 LYS CB C 95 31.690 32.159 -0.469 1
1 1220 . 2 1 1 A 95 95 LYS N N 95 121.494 118.690 2.804 1
1 1221 . 2 1 1 A 96 96 TYR H H 96 7.710 8.102 -0.392 1
1 1222 . 2 1 1 A 96 96 TYR HA H 96 4.332 4.411 -0.079 1
1 1229 . 2 1 1 A 96 96 TYR C C 96 174.550 175.719 -1.169 1
1 1230 . 2 1 1 A 96 96 TYR CA C 96 59.370 60.249 -0.879 1
1 1231 . 2 1 1 A 96 96 TYR CB C 96 38.340 38.823 -0.483 1
1 1234 . 2 1 1 A 96 96 TYR N N 96 117.421 118.770 -1.349 1
1 1235 . 2 1 1 A 97 97 GLY H H 97 7.796 7.735 0.061 1
1 1236 . 2 1 1 A 97 97 GLY HA2 H 97 3.966 3.800 0.166 1
1 1237 . 2 1 1 A 97 97 GLY HA3 H 97 3.580 3.970 -0.390 1
1 1238 . 2 1 1 A 97 97 GLY C C 97 173.662 174.589 -0.927 1
1 1239 . 2 1 1 A 97 97 GLY CA C 97 45.160 45.300 -0.140 1
1 1240 . 2 1 1 A 97 97 GLY N N 97 105.806 106.697 -0.891 1
1 1241 . 2 1 1 A 98 98 PHE H H 98 7.323 7.621 -0.298 1
1 1242 . 2 1 1 A 98 98 PHE HA H 98 4.644 4.520 0.124 1
1 1250 . 2 1 1 A 98 98 PHE C C 98 173.353 175.558 -2.205 1
1 1251 . 2 1 1 A 98 98 PHE CA C 98 57.490 58.265 -0.775 1
1 1252 . 2 1 1 A 98 98 PHE CB C 98 38.550 38.842 -0.292 1
1 1256 . 2 1 1 A 98 98 PHE N N 98 120.718 119.909 0.809 1
1 1257 . 2 1 1 A 99 99 ARG H H 99 7.903 8.484 -0.581 1
1 1258 . 2 1 1 A 99 99 ARG HA H 99 4.283 4.276 0.007 1
1 1265 . 2 1 1 A 99 99 ARG C C 99 175.680 176.172 -0.492 1
1 1266 . 2 1 1 A 99 99 ARG CA C 99 56.320 56.324 -0.004 1
1 1267 . 2 1 1 A 99 99 ARG CB C 99 30.610 30.528 0.082 1
1 1270 . 2 1 1 A 99 99 ARG N N 99 122.817 124.078 -1.261 1
1 1271 . 2 1 1 A 100 100 MET H H 100 8.133 8.775 -0.642 1
1 1272 . 2 1 1 A 100 100 MET HA H 100 4.843 4.802 0.041 1
1 1280 . 2 1 1 A 100 100 MET C C 100 175.255 174.347 0.908 1
1 1281 . 2 1 1 A 100 100 MET CA C 100 52.343 54.387 -2.044 1
1 1282 . 2 1 1 A 100 100 MET CB C 100 34.410 36.842 -2.432 1
1 1285 . 2 1 1 A 100 100 MET N N 100 121.483 120.142 1.341 1
1 1286 . 2 1 1 A 101 101 VAL H H 101 8.471 8.732 -0.261 1
1 1287 . 2 1 1 A 101 101 VAL HA H 101 3.890 4.537 -0.647 1
1 1295 . 2 1 1 A 101 101 VAL C C 101 175.351 175.034 0.317 1
1 1296 . 2 1 1 A 101 101 VAL CA C 101 61.500 61.498 0.002 1
1 1297 . 2 1 1 A 101 101 VAL CB C 101 31.730 31.783 -0.053 1
1 1300 . 2 1 1 A 101 101 VAL N N 101 119.940 123.067 -3.127 1
1 1301 . 2 1 1 A 102 102 TYR H H 102 8.612 8.945 -0.333 1
1 1302 . 2 1 1 A 102 102 TYR HA H 102 4.938 4.966 -0.028 1
1 1309 . 2 1 1 A 102 102 TYR C C 102 175.892 175.262 0.630 1
1 1310 . 2 1 1 A 102 102 TYR CA C 102 57.140 57.644 -0.504 1
1 1311 . 2 1 1 A 102 102 TYR CB C 102 40.990 40.334 0.656 1
1 1314 . 2 1 1 A 102 102 TYR N N 102 126.390 126.991 -0.601 1
1 1315 . 2 1 1 A 103 103 ASP H H 103 8.071 9.001 -0.930 1
1 1316 . 2 1 1 A 103 103 ASP HA H 103 4.621 4.323 0.298 1
1 1319 . 2 1 1 A 103 103 ASP C C 103 176.220 175.805 0.415 1
1 1320 . 2 1 1 A 103 103 ASP CA C 103 55.050 55.309 -0.259 1
1 1321 . 2 1 1 A 103 103 ASP CB C 103 40.220 38.932 1.288 1
1 1322 . 2 1 1 A 103 103 ASP N N 103 120.738 120.029 0.709 1
1 1323 . 2 1 1 A 104 104 ASP H H 104 8.642 7.946 0.696 1
1 1324 . 2 1 1 A 104 104 ASP HA H 104 4.730 4.343 0.387 1
1 1327 . 2 1 1 A 104 104 ASP C C 104 176.095 176.093 0.002 1
1 1328 . 2 1 1 A 104 104 ASP CA C 104 53.510 57.265 -3.755 1
1 1329 . 2 1 1 A 104 104 ASP CB C 104 41.060 40.620 0.440 1
1 1330 . 2 1 1 A 104 104 ASP N N 104 121.582 118.256 3.326 1
1 1331 . 2 1 1 A 105 105 THR H H 105 8.119 8.023 0.096 1
1 1332 . 2 1 1 A 105 105 THR HA H 105 4.389 4.100 0.289 1
1 1337 . 2 1 1 A 105 105 THR C C 105 173.508 173.939 -0.431 1
1 1338 . 2 1 1 A 105 105 THR CA C 105 61.580 63.263 -1.683 1
1 1339 . 2 1 1 A 105 105 THR CB C 105 69.840 66.590 3.250 1
1 1341 . 2 1 1 A 105 105 THR N N 105 113.632 112.027 1.605 1
1 1342 . 2 1 1 A 106 106 CYS H H 106 8.013 8.360 -0.347 1
1 1343 . 2 1 1 A 106 106 CYS N N 106 129.098 114.474 14.624 1
1 1344 . 2 1 1 A 107 107 ASP HA H 107 4.606 4.785 -0.179 1
1 1347 . 2 1 1 A 107 107 ASP C C 107 176.075 175.112 0.963 1
1 1348 . 2 1 1 A 107 107 ASP CA C 107 54.790 54.282 0.508 1
1 1349 . 2 1 1 A 107 107 ASP CB C 107 40.990 42.122 -1.132 1
1 1350 . 2 1 1 A 108 108 LYS H H 108 8.216 8.846 -0.630 1
1 1351 . 2 1 1 A 108 108 LYS HA H 108 4.326 4.489 -0.163 1
1 1360 . 2 1 1 A 108 108 LYS C C 108 176.490 175.968 0.522 1
1 1361 . 2 1 1 A 108 108 LYS CA C 108 56.140 57.666 -1.526 1
1 1362 . 2 1 1 A 108 108 LYS CB C 108 32.910 34.594 -1.684 1
1 1366 . 2 1 1 A 108 108 LYS N N 108 121.982 124.455 -2.473 1
1 1367 . 2 1 1 A 109 109 LYS H H 109 8.411 8.076 0.335 1
1 1368 . 2 1 1 A 109 109 LYS HA H 109 4.344 4.182 0.162 1
1 1377 . 2 1 1 A 109 109 LYS C C 109 175.583 174.993 0.590 1
1 1378 . 2 1 1 A 109 109 LYS CA C 109 56.150 58.431 -2.281 1
1 1379 . 2 1 1 A 109 109 LYS CB C 109 33.050 31.273 1.777 1
1 1383 . 2 1 1 A 109 109 LYS N N 109 122.966 117.896 5.070 1
1 14 . 3 1 1 A 2 2 LEU H H 2 8.858 7.717 1.141 1
1 15 . 3 1 1 A 2 2 LEU HA H 2 4.010 3.587 0.423 1
1 25 . 3 1 1 A 2 2 LEU C C 2 179.512 178.479 1.033 1
1 26 . 3 1 1 A 2 2 LEU CA C 2 57.230 55.715 1.515 1
1 27 . 3 1 1 A 2 2 LEU CB C 2 41.500 41.137 0.363 1
1 31 . 3 1 1 A 2 2 LEU N N 2 124.589 117.397 7.192 1
1 32 . 3 1 1 A 3 3 GLU H H 3 9.299 8.875 0.424 1
1 33 . 3 1 1 A 3 3 GLU HA H 3 4.234 4.180 0.054 1
1 38 . 3 1 1 A 3 3 GLU C C 3 178.189 177.748 0.441 1
1 39 . 3 1 1 A 3 3 GLU CA C 3 59.930 58.995 0.935 1
1 40 . 3 1 1 A 3 3 GLU CB C 3 28.810 28.865 -0.055 1
1 42 . 3 1 1 A 3 3 GLU N N 3 118.833 122.187 -3.354 1
1 43 . 3 1 1 A 4 4 ASP H H 4 8.188 8.051 0.137 1
1 44 . 3 1 1 A 4 4 ASP HA H 4 4.524 4.526 -0.002 1
1 47 . 3 1 1 A 4 4 ASP C C 4 176.722 177.507 -0.785 1
1 48 . 3 1 1 A 4 4 ASP CA C 4 56.240 56.301 -0.061 1
1 49 . 3 1 1 A 4 4 ASP CB C 4 39.910 40.763 -0.853 1
1 50 . 3 1 1 A 4 4 ASP N N 4 118.286 119.616 -1.330 1
1 51 . 3 1 1 A 5 5 TYR H H 5 8.336 7.587 0.749 1
1 52 . 3 1 1 A 5 5 TYR HA H 5 4.284 4.598 -0.314 1
1 59 . 3 1 1 A 5 5 TYR C C 5 172.456 175.980 -3.524 1
1 60 . 3 1 1 A 5 5 TYR CA C 5 58.770 59.260 -0.490 1
1 61 . 3 1 1 A 5 5 TYR CB C 5 37.820 37.720 0.100 1
1 64 . 3 1 1 A 5 5 TYR N N 5 119.641 116.535 3.106 1
1 65 . 3 1 1 A 6 6 ALA H H 6 6.748 7.026 -0.278 1
1 66 . 3 1 1 A 6 6 ALA HA H 6 3.470 3.335 0.135 1
1 70 . 3 1 1 A 6 6 ALA C C 6 178.122 176.345 1.777 1
1 71 . 3 1 1 A 6 6 ALA CA C 6 51.440 51.184 0.256 1
1 72 . 3 1 1 A 6 6 ALA CB C 6 19.600 18.259 1.341 1
1 73 . 3 1 1 A 6 6 ALA N N 6 122.727 123.153 -0.426 1
1 74 . 3 1 1 A 7 7 ILE H H 7 8.665 7.987 0.678 1
1 75 . 3 1 1 A 7 7 ILE HA H 7 4.303 4.214 0.089 1
1 85 . 3 1 1 A 7 7 ILE C C 7 174.386 175.877 -1.491 1
1 86 . 3 1 1 A 7 7 ILE CA C 7 58.640 61.413 -2.773 1
1 87 . 3 1 1 A 7 7 ILE CB C 7 39.820 37.947 1.873 1
1 91 . 3 1 1 A 7 7 ILE N N 7 124.318 123.890 0.428 1
1 92 . 3 1 1 A 8 8 SER H H 8 8.884 8.864 0.020 1
1 93 . 3 1 1 A 8 8 SER HA H 8 4.881 4.484 0.397 1
1 96 . 3 1 1 A 8 8 SER C C 8 176.268 175.050 1.218 1
1 97 . 3 1 1 A 8 8 SER CA C 8 57.157 58.271 -1.114 1
1 98 . 3 1 1 A 8 8 SER CB C 8 64.390 64.004 0.386 1
1 99 . 3 1 1 A 8 8 SER N N 8 122.739 122.382 0.357 1
1 100 . 3 1 1 A 9 9 LEU H H 9 8.077 8.762 -0.685 1
1 101 . 3 1 1 A 9 9 LEU HA H 9 3.652 4.060 -0.408 1
1 111 . 3 1 1 A 9 9 LEU C C 9 175.322 177.447 -2.125 1
1 112 . 3 1 1 A 9 9 LEU CA C 9 57.190 57.725 -0.535 1
1 113 . 3 1 1 A 9 9 LEU CB C 9 42.290 41.808 0.482 1
1 117 . 3 1 1 A 9 9 LEU N N 9 126.321 128.104 -1.783 1
1 118 . 3 1 1 A 10 10 GLU H H 10 8.361 8.213 0.148 1
1 119 . 3 1 1 A 10 10 GLU HA H 10 3.754 4.479 -0.725 1
1 124 . 3 1 1 A 10 10 GLU C C 10 176.452 177.245 -0.793 1
1 125 . 3 1 1 A 10 10 GLU CA C 10 58.470 56.553 1.917 1
1 126 . 3 1 1 A 10 10 GLU CB C 10 29.480 29.309 0.171 1
1 128 . 3 1 1 A 10 10 GLU N N 10 112.911 115.972 -3.061 1
1 129 . 3 1 1 A 11 11 GLU H H 11 7.284 8.093 -0.809 1
1 130 . 3 1 1 A 11 11 GLU HA H 11 4.531 4.542 -0.011 1
1 135 . 3 1 1 A 11 11 GLU C C 11 176.539 176.346 0.193 1
1 136 . 3 1 1 A 11 11 GLU CA C 11 55.240 56.064 -0.824 1
1 137 . 3 1 1 A 11 11 GLU CB C 11 32.160 31.222 0.938 1
1 139 . 3 1 1 A 11 11 GLU N N 11 114.276 116.892 -2.616 1
1 140 . 3 1 1 A 12 12 VAL H H 12 7.077 7.319 -0.242 1
1 141 . 3 1 1 A 12 12 VAL HA H 12 3.677 3.994 -0.317 1
1 149 . 3 1 1 A 12 12 VAL C C 12 173.900 174.800 -0.900 1
1 150 . 3 1 1 A 12 12 VAL CA C 12 62.510 62.042 0.468 1
1 151 . 3 1 1 A 12 12 VAL CB C 12 31.920 32.154 -0.234 1
1 154 . 3 1 1 A 12 12 VAL N N 12 121.932 121.324 0.608 1
1 155 . 3 1 1 A 13 13 ASN H H 13 7.996 8.619 -0.623 1
1 156 . 3 1 1 A 13 13 ASN HA H 13 4.840 5.189 -0.349 1
1 161 . 3 1 1 A 13 13 ASN C C 13 176.876 175.121 1.755 1
1 162 . 3 1 1 A 13 13 ASN CA C 13 52.168 51.609 0.559 1
1 163 . 3 1 1 A 13 13 ASN CB C 13 38.500 39.486 -0.986 1
1 164 . 3 1 1 A 13 13 ASN N N 13 121.232 125.549 -4.317 1
1 166 . 3 1 1 A 14 14 PHE H H 14 6.268 7.900 -1.632 1
1 167 . 3 1 1 A 14 14 PHE HA H 14 3.868 4.116 -0.248 1
1 175 . 3 1 1 A 14 14 PHE C C 14 176.423 177.664 -1.241 1
1 176 . 3 1 1 A 14 14 PHE CA C 14 62.520 60.433 2.087 1
1 177 . 3 1 1 A 14 14 PHE CB C 14 38.780 38.514 0.266 1
1 181 . 3 1 1 A 14 14 PHE N N 14 120.637 121.613 -0.976 1
1 182 . 3 1 1 A 15 15 ASN H H 15 8.184 8.107 0.077 1
1 183 . 3 1 1 A 15 15 ASN HA H 15 4.602 4.384 0.218 1
1 188 . 3 1 1 A 15 15 ASN C C 15 175.738 177.701 -1.963 1
1 189 . 3 1 1 A 15 15 ASN CA C 15 55.240 56.090 -0.850 1
1 190 . 3 1 1 A 15 15 ASN CB C 15 38.270 37.983 0.287 1
1 191 . 3 1 1 A 15 15 ASN N N 15 113.599 116.918 -3.319 1
1 193 . 3 1 1 A 16 16 ASP H H 16 7.680 7.289 0.391 1
1 194 . 3 1 1 A 16 16 ASP HA H 16 4.450 4.194 0.256 1
1 197 . 3 1 1 A 16 16 ASP C C 16 174.589 175.388 -0.799 1
1 198 . 3 1 1 A 16 16 ASP CA C 16 54.860 55.809 -0.949 1
1 199 . 3 1 1 A 16 16 ASP CB C 16 41.140 40.602 0.538 1
1 200 . 3 1 1 A 16 16 ASP N N 16 117.808 117.768 0.040 1
1 201 . 3 1 1 A 17 17 PHE H H 17 7.648 7.205 0.443 1
1 202 . 3 1 1 A 17 17 PHE HA H 17 4.788 5.081 -0.293 1
1 210 . 3 1 1 A 17 17 PHE C C 17 175.516 176.045 -0.529 1
1 211 . 3 1 1 A 17 17 PHE CA C 17 56.790 56.744 0.046 1
1 212 . 3 1 1 A 17 17 PHE CB C 17 44.090 42.140 1.950 1
1 216 . 3 1 1 A 17 17 PHE N N 17 116.207 115.778 0.429 1
1 217 . 3 1 1 A 18 18 ILE H H 18 8.674 8.912 -0.238 1
1 218 . 3 1 1 A 18 18 ILE HA H 18 4.335 4.286 0.049 1
1 228 . 3 1 1 A 18 18 ILE C C 18 175.612 176.317 -0.705 1
1 229 . 3 1 1 A 18 18 ILE CA C 18 60.930 61.826 -0.896 1
1 230 . 3 1 1 A 18 18 ILE CB C 18 37.620 36.926 0.694 1
1 234 . 3 1 1 A 18 18 ILE N N 18 121.498 124.377 -2.879 1
1 235 . 3 1 1 A 19 19 VAL H H 19 9.009 8.320 0.689 1
1 236 . 3 1 1 A 19 19 VAL HA H 19 4.760 4.657 0.103 1
1 244 . 3 1 1 A 19 19 VAL C C 19 175.622 175.188 0.434 1
1 245 . 3 1 1 A 19 19 VAL CA C 19 62.974 62.082 0.892 1
1 246 . 3 1 1 A 19 19 VAL CB C 19 32.770 32.309 0.461 1
1 249 . 3 1 1 A 19 19 VAL N N 19 129.378 128.635 0.743 1
1 250 . 3 1 1 A 20 20 VAL H H 20 9.606 8.975 0.631 1
1 251 . 3 1 1 A 20 20 VAL HA H 20 4.581 4.548 0.033 1
1 259 . 3 1 1 A 20 20 VAL C C 20 172.234 174.744 -2.510 1
1 260 . 3 1 1 A 20 20 VAL CA C 20 60.660 60.792 -0.132 1
1 261 . 3 1 1 A 20 20 VAL CB C 20 33.910 35.336 -1.426 1
1 264 . 3 1 1 A 20 20 VAL N N 20 131.965 127.148 4.817 1
1 265 . 3 1 1 A 21 21 ASP H H 21 8.367 8.911 -0.544 1
1 266 . 3 1 1 A 21 21 ASP HA H 21 4.105 4.556 -0.451 1
1 269 . 3 1 1 A 21 21 ASP C C 21 176.182 175.348 0.834 1
1 270 . 3 1 1 A 21 21 ASP CA C 21 50.850 53.313 -2.463 1
1 271 . 3 1 1 A 21 21 ASP CB C 21 43.460 40.965 2.495 1
1 272 . 3 1 1 A 21 21 ASP N N 21 129.516 127.821 1.695 1
1 273 . 3 1 1 A 22 22 VAL H H 22 8.095 8.117 -0.022 1
1 274 . 3 1 1 A 22 22 VAL HA H 22 5.720 4.969 0.751 1
1 282 . 3 1 1 A 22 22 VAL C C 22 178.006 174.792 3.214 1
1 283 . 3 1 1 A 22 22 VAL CA C 22 58.990 61.058 -2.068 1
1 284 . 3 1 1 A 22 22 VAL CB C 22 30.150 31.693 -1.543 1
1 287 . 3 1 1 A 22 22 VAL N N 22 114.833 120.559 -5.726 1
1 288 . 3 1 1 A 23 23 ARG H H 23 7.467 8.332 -0.865 1
1 289 . 3 1 1 A 23 23 ARG HA H 23 4.358 4.538 -0.180 1
1 299 . 3 1 1 A 23 23 ARG C C 23 172.157 176.072 -3.915 1
1 300 . 3 1 1 A 23 23 ARG CA C 23 56.190 56.644 -0.454 1
1 301 . 3 1 1 A 23 23 ARG CB C 23 31.230 32.705 -1.475 1
1 304 . 3 1 1 A 23 23 ARG N N 23 120.418 125.491 -5.073 1
1 307 . 3 1 1 A 24 24 GLU H H 24 7.372 7.676 -0.304 1
1 308 . 3 1 1 A 24 24 GLU HA H 24 4.454 4.588 -0.134 1
1 313 . 3 1 1 A 24 24 GLU C C 24 178.807 176.154 2.653 1
1 314 . 3 1 1 A 24 24 GLU CA C 24 53.870 55.773 -1.903 1
1 315 . 3 1 1 A 24 24 GLU CB C 24 31.610 33.456 -1.846 1
1 317 . 3 1 1 A 24 24 GLU N N 24 111.001 115.704 -4.703 1
1 318 . 3 1 1 A 25 25 LEU H H 25 8.842 8.610 0.232 1
1 319 . 3 1 1 A 25 25 LEU HA H 25 3.922 3.960 -0.038 1
1 329 . 3 1 1 A 25 25 LEU C C 25 177.591 177.641 -0.050 1
1 330 . 3 1 1 A 25 25 LEU CA C 25 58.800 58.782 0.018 1
1 331 . 3 1 1 A 25 25 LEU CB C 25 42.000 41.620 0.380 1
1 335 . 3 1 1 A 25 25 LEU N N 25 122.468 126.045 -3.577 1
1 336 . 3 1 1 A 26 26 ASP H H 26 8.671 8.076 0.595 1
1 337 . 3 1 1 A 26 26 ASP HA H 26 4.389 4.318 0.071 1
1 340 . 3 1 1 A 26 26 ASP C C 26 178.739 178.268 0.471 1
1 341 . 3 1 1 A 26 26 ASP CA C 26 56.540 57.870 -1.330 1
1 342 . 3 1 1 A 26 26 ASP CB C 26 39.570 42.370 -2.800 1
1 343 . 3 1 1 A 26 26 ASP N N 26 114.189 118.631 -4.442 1
1 344 . 3 1 1 A 27 27 GLU H H 27 7.235 8.077 -0.842 1
1 345 . 3 1 1 A 27 27 GLU HA H 27 4.304 3.957 0.347 1
1 350 . 3 1 1 A 27 27 GLU C C 27 177.678 178.516 -0.838 1
1 351 . 3 1 1 A 27 27 GLU CA C 27 58.830 59.731 -0.901 1
1 352 . 3 1 1 A 27 27 GLU CB C 27 30.650 29.333 1.317 1
1 354 . 3 1 1 A 27 27 GLU N N 27 120.618 118.843 1.775 1
1 355 . 3 1 1 A 28 28 TYR H H 28 7.703 8.042 -0.339 1
1 356 . 3 1 1 A 28 28 TYR HA H 28 4.149 3.966 0.183 1
1 363 . 3 1 1 A 28 28 TYR C C 28 177.108 177.923 -0.815 1
1 364 . 3 1 1 A 28 28 TYR CA C 28 60.600 61.162 -0.562 1
1 365 . 3 1 1 A 28 28 TYR CB C 28 39.300 38.450 0.850 1
1 370 . 3 1 1 A 28 28 TYR N N 28 121.871 121.329 0.542 1
1 371 . 3 1 1 A 29 29 GLU H H 29 8.727 8.205 0.522 1
1 372 . 3 1 1 A 29 29 GLU HA H 29 3.823 3.831 -0.008 1
1 377 . 3 1 1 A 29 29 GLU C C 29 177.456 179.000 -1.544 1
1 378 . 3 1 1 A 29 29 GLU CA C 29 58.770 60.043 -1.273 1
1 379 . 3 1 1 A 29 29 GLU CB C 29 29.880 29.232 0.648 1
1 381 . 3 1 1 A 29 29 GLU N N 29 116.326 118.283 -1.957 1
1 382 . 3 1 1 A 30 30 GLU H H 30 7.225 8.243 -1.018 1
1 383 . 3 1 1 A 30 30 GLU HA H 30 4.219 4.145 0.074 1
1 388 . 3 1 1 A 30 30 GLU C C 30 177.012 176.412 0.600 1
1 389 . 3 1 1 A 30 30 GLU CA C 30 59.750 58.994 0.756 1
1 390 . 3 1 1 A 30 30 GLU CB C 30 29.310 29.387 -0.077 1
1 392 . 3 1 1 A 30 30 GLU N N 30 119.394 116.888 2.506 1
1 393 . 3 1 1 A 31 31 LEU H H 31 7.512 7.087 0.425 1
1 394 . 3 1 1 A 31 31 LEU HA H 31 5.102 4.523 0.579 1
1 404 . 3 1 1 A 31 31 LEU C C 31 173.363 174.525 -1.162 1
1 405 . 3 1 1 A 31 31 LEU CA C 31 55.760 53.642 2.118 1
1 406 . 3 1 1 A 31 31 LEU CB C 31 42.880 43.492 -0.612 1
1 410 . 3 1 1 A 31 31 LEU N N 31 118.039 116.475 1.564 1
1 411 . 3 1 1 A 32 32 HIS H H 32 8.196 8.248 -0.052 1
1 412 . 3 1 1 A 32 32 HIS HA H 32 4.433 5.027 -0.594 1
1 417 . 3 1 1 A 32 32 HIS C C 32 171.973 171.829 0.144 1
1 418 . 3 1 1 A 32 32 HIS CA C 32 54.660 54.353 0.307 1
1 419 . 3 1 1 A 32 32 HIS CB C 32 31.500 31.232 0.268 1
1 422 . 3 1 1 A 32 32 HIS N N 32 114.425 115.031 -0.606 1
1 423 . 3 1 1 A 33 33 LEU H H 33 10.099 8.670 1.429 1
1 424 . 3 1 1 A 33 33 LEU HA H 33 4.745 4.343 0.402 1
1 434 . 3 1 1 A 33 33 LEU CA C 33 53.423 52.517 0.906 1
1 435 . 3 1 1 A 33 33 LEU CB C 33 42.750 41.139 1.611 1
1 439 . 3 1 1 A 33 33 LEU N N 33 124.819 120.717 4.102 1
1 440 . 3 1 1 A 34 34 PRO HA H 34 4.328 4.444 -0.116 1
1 447 . 3 1 1 A 34 34 PRO C C 34 177.012 177.573 -0.561 1
1 448 . 3 1 1 A 34 34 PRO CA C 34 64.440 64.386 0.054 1
1 449 . 3 1 1 A 34 34 PRO CB C 34 31.660 31.731 -0.071 1
1 452 . 3 1 1 A 35 35 ASN H H 35 8.736 8.301 0.435 1
1 453 . 3 1 1 A 35 35 ASN HA H 35 4.701 4.910 -0.209 1
1 458 . 3 1 1 A 35 35 ASN C C 35 174.801 174.950 -0.149 1
1 459 . 3 1 1 A 35 35 ASN CA C 35 53.470 53.097 0.373 1
1 460 . 3 1 1 A 35 35 ASN CB C 35 37.650 38.969 -1.319 1
1 461 . 3 1 1 A 35 35 ASN N N 35 113.231 115.596 -2.365 1
1 463 . 3 1 1 A 36 36 ALA H H 36 7.434 7.495 -0.061 1
1 464 . 3 1 1 A 36 36 ALA HA H 36 4.523 5.030 -0.507 1
1 468 . 3 1 1 A 36 36 ALA C C 36 177.494 176.591 0.903 1
1 469 . 3 1 1 A 36 36 ALA CA C 36 52.700 50.510 2.190 1
1 470 . 3 1 1 A 36 36 ALA CB C 36 21.760 20.681 1.079 1
1 471 . 3 1 1 A 36 36 ALA N N 36 122.419 122.905 -0.486 1
1 472 . 3 1 1 A 37 37 THR H H 37 8.334 8.716 -0.382 1
1 473 . 3 1 1 A 37 37 THR HA H 37 4.184 4.386 -0.202 1
1 479 . 3 1 1 A 37 37 THR C C 37 172.359 173.850 -1.491 1
1 480 . 3 1 1 A 37 37 THR CA C 37 63.020 63.120 -0.100 1
1 481 . 3 1 1 A 37 37 THR CB C 37 69.800 69.100 0.700 1
1 483 . 3 1 1 A 37 37 THR N N 37 121.183 119.173 2.010 1
1 484 . 3 1 1 A 38 38 LEU H H 38 8.306 8.497 -0.191 1
1 485 . 3 1 1 A 38 38 LEU HA H 38 4.815 4.441 0.374 1
1 495 . 3 1 1 A 38 38 LEU C C 38 176.529 175.028 1.501 1
1 496 . 3 1 1 A 38 38 LEU CA C 38 53.873 54.695 -0.822 1
1 497 . 3 1 1 A 38 38 LEU CB C 38 41.830 41.925 -0.095 1
1 501 . 3 1 1 A 38 38 LEU N N 38 130.981 129.804 1.177 1
1 502 . 3 1 1 A 39 39 ILE H H 39 8.612 8.177 0.435 1
1 503 . 3 1 1 A 39 39 ILE HA H 39 3.779 4.631 -0.852 1
1 513 . 3 1 1 A 39 39 ILE C C 39 172.186 174.038 -1.852 1
1 514 . 3 1 1 A 39 39 ILE CA C 39 62.040 59.824 2.216 1
1 515 . 3 1 1 A 39 39 ILE CB C 39 40.360 42.388 -2.028 1
1 519 . 3 1 1 A 39 39 ILE N N 39 131.100 129.245 1.855 1
1 520 . 3 1 1 A 40 40 SER H H 40 8.123 8.695 -0.572 1
1 521 . 3 1 1 A 40 40 SER HA H 40 3.904 4.693 -0.789 1
1 524 . 3 1 1 A 40 40 SER C C 40 177.629 175.195 2.434 1
1 525 . 3 1 1 A 40 40 SER CA C 40 58.810 56.924 1.886 1
1 526 . 3 1 1 A 40 40 SER CB C 40 63.090 64.614 -1.524 1
1 527 . 3 1 1 A 40 40 SER N N 40 118.068 120.453 -2.385 1
1 528 . 3 1 1 A 41 41 VAL H H 41 7.739 8.546 -0.807 1
1 529 . 3 1 1 A 41 41 VAL HA H 41 3.913 3.854 0.059 1
1 537 . 3 1 1 A 41 41 VAL C C 41 174.714 177.362 -2.648 1
1 538 . 3 1 1 A 41 41 VAL CA C 41 58.990 64.856 -5.866 1
1 539 . 3 1 1 A 41 41 VAL CB C 41 31.730 31.825 -0.095 1
1 542 . 3 1 1 A 41 41 VAL N N 41 124.290 127.148 -2.858 1
1 543 . 3 1 1 A 42 42 ASN H H 42 8.344 8.784 -0.440 1
1 544 . 3 1 1 A 42 42 ASN HA H 42 4.630 4.532 0.098 1
1 549 . 3 1 1 A 42 42 ASN C C 42 175.699 175.733 -0.034 1
1 550 . 3 1 1 A 42 42 ASN CA C 42 54.860 54.972 -0.112 1
1 551 . 3 1 1 A 42 42 ASN CB C 42 38.610 37.301 1.309 1
1 552 . 3 1 1 A 42 42 ASN N N 42 116.715 116.451 0.264 1
1 554 . 3 1 1 A 43 43 ASP H H 43 8.417 7.462 0.955 1
1 555 . 3 1 1 A 43 43 ASP HA H 43 5.021 4.863 0.158 1
1 558 . 3 1 1 A 43 43 ASP C C 43 175.699 175.961 -0.262 1
1 559 . 3 1 1 A 43 43 ASP CA C 43 52.300 52.801 -0.501 1
1 560 . 3 1 1 A 43 43 ASP CB C 43 39.540 38.547 0.993 1
1 561 . 3 1 1 A 43 43 ASP N N 43 125.038 120.102 4.936 1
1 562 . 3 1 1 A 44 44 GLN H H 44 7.762 8.152 -0.390 1
1 563 . 3 1 1 A 44 44 GLN HA H 44 3.815 4.064 -0.249 1
1 570 . 3 1 1 A 44 44 GLN C C 44 178.430 178.194 0.236 1
1 571 . 3 1 1 A 44 44 GLN CA C 44 59.650 59.088 0.562 1
1 572 . 3 1 1 A 44 44 GLN CB C 44 28.760 28.193 0.567 1
1 574 . 3 1 1 A 44 44 GLN N N 44 119.490 123.285 -3.795 1
1 576 . 3 1 1 A 45 45 GLU H H 45 8.705 8.273 0.432 1
1 577 . 3 1 1 A 45 45 GLU HA H 45 4.059 4.070 -0.011 1
1 582 . 3 1 1 A 45 45 GLU C C 45 178.739 178.713 0.026 1
1 583 . 3 1 1 A 45 45 GLU CA C 45 59.660 59.376 0.284 1
1 584 . 3 1 1 A 45 45 GLU CB C 45 28.900 29.262 -0.362 1
1 586 . 3 1 1 A 45 45 GLU N N 45 119.373 118.423 0.950 1
1 587 . 3 1 1 A 46 46 LYS H H 46 7.545 7.792 -0.247 1
1 588 . 3 1 1 A 46 46 LYS HA H 46 4.119 4.236 -0.117 1
1 597 . 3 1 1 A 46 46 LYS C C 46 179.579 178.765 0.814 1
1 598 . 3 1 1 A 46 46 LYS CA C 46 58.940 59.225 -0.285 1
1 599 . 3 1 1 A 46 46 LYS CB C 46 32.750 32.138 0.612 1
1 603 . 3 1 1 A 46 46 LYS N N 46 120.645 119.755 0.890 1
1 604 . 3 1 1 A 47 47 LEU H H 47 8.005 7.745 0.260 1
1 605 . 3 1 1 A 47 47 LEU HA H 47 4.059 4.065 -0.006 1
1 615 . 3 1 1 A 47 47 LEU C C 47 177.436 178.223 -0.787 1
1 616 . 3 1 1 A 47 47 LEU CA C 47 58.090 58.057 0.033 1
1 617 . 3 1 1 A 47 47 LEU CB C 47 41.150 41.544 -0.394 1
1 621 . 3 1 1 A 47 47 LEU N N 47 122.201 121.291 0.910 1
1 622 . 3 1 1 A 48 48 ALA H H 48 8.239 8.302 -0.063 1
1 623 . 3 1 1 A 48 48 ALA HA H 48 3.733 3.727 0.006 1
1 627 . 3 1 1 A 48 48 ALA C C 48 179.347 179.153 0.194 1
1 628 . 3 1 1 A 48 48 ALA CA C 48 55.420 54.953 0.467 1
1 629 . 3 1 1 A 48 48 ALA CB C 48 18.240 17.993 0.247 1
1 630 . 3 1 1 A 48 48 ALA N N 48 121.483 120.676 0.807 1
1 631 . 3 1 1 A 49 49 ASP H H 49 8.001 7.940 0.061 1
1 632 . 3 1 1 A 49 49 ASP HA H 49 4.308 4.329 -0.021 1
1 635 . 3 1 1 A 49 49 ASP C C 49 179.106 178.233 0.873 1
1 636 . 3 1 1 A 49 49 ASP CA C 49 57.350 57.250 0.100 1
1 637 . 3 1 1 A 49 49 ASP CB C 49 41.250 41.600 -0.350 1
1 638 . 3 1 1 A 49 49 ASP N N 49 117.231 119.109 -1.878 1
1 639 . 3 1 1 A 50 50 PHE H H 50 8.265 8.188 0.077 1
1 640 . 3 1 1 A 50 50 PHE HA H 50 4.101 4.084 0.017 1
1 647 . 3 1 1 A 50 50 PHE C C 50 179.048 176.976 2.072 1
1 648 . 3 1 1 A 50 50 PHE CA C 50 62.590 61.325 1.265 1
1 649 . 3 1 1 A 50 50 PHE CB C 50 39.810 39.380 0.430 1
1 651 . 3 1 1 A 50 50 PHE N N 50 122.379 120.294 2.085 1
1 652 . 3 1 1 A 51 51 LEU H H 51 8.653 8.018 0.635 1
1 653 . 3 1 1 A 51 51 LEU HA H 51 3.789 3.808 -0.019 1
1 663 . 3 1 1 A 51 51 LEU C C 51 180.400 178.698 1.702 1
1 664 . 3 1 1 A 51 51 LEU CA C 51 58.140 56.956 1.184 1
1 665 . 3 1 1 A 51 51 LEU CB C 51 38.770 41.205 -2.435 1
1 669 . 3 1 1 A 51 51 LEU N N 51 120.277 119.176 1.101 1
1 670 . 3 1 1 A 52 52 SER H H 52 8.332 7.742 0.590 1
1 671 . 3 1 1 A 52 52 SER HA H 52 4.160 4.381 -0.221 1
1 674 . 3 1 1 A 52 52 SER C C 52 176.220 176.770 -0.550 1
1 675 . 3 1 1 A 52 52 SER CA C 52 61.840 60.993 0.847 1
1 676 . 3 1 1 A 52 52 SER CB C 52 62.850 62.965 -0.115 1
1 677 . 3 1 1 A 52 52 SER N N 52 115.630 114.809 0.821 1
1 678 . 3 1 1 A 53 53 GLN H H 53 7.405 7.469 -0.064 1
1 679 . 3 1 1 A 53 53 GLN HA H 53 4.092 4.015 0.077 1
1 686 . 3 1 1 A 53 53 GLN C C 53 176.046 176.004 0.042 1
1 687 . 3 1 1 A 53 53 GLN CA C 53 56.560 58.478 -1.918 1
1 688 . 3 1 1 A 53 53 GLN CB C 53 28.580 29.002 -0.422 1
1 690 . 3 1 1 A 53 53 GLN N N 53 119.056 117.939 1.117 1
1 692 . 3 1 1 A 54 54 HIS H H 54 7.311 7.705 -0.394 1
1 693 . 3 1 1 A 54 54 HIS HA H 54 4.754 4.962 -0.208 1
1 696 . 3 1 1 A 54 54 HIS C C 54 175.467 174.919 0.548 1
1 697 . 3 1 1 A 54 54 HIS CA C 54 55.562 54.531 1.031 1
1 698 . 3 1 1 A 54 54 HIS CB C 54 29.650 32.643 -2.993 1
1 699 . 3 1 1 A 54 54 HIS N N 54 117.800 116.124 1.676 1
1 700 . 3 1 1 A 55 55 LYS H H 55 7.646 8.607 -0.961 1
1 701 . 3 1 1 A 55 55 LYS HA H 55 4.296 4.431 -0.135 1
1 710 . 3 1 1 A 55 55 LYS C C 55 176.741 176.950 -0.209 1
1 711 . 3 1 1 A 55 55 LYS CA C 55 58.710 57.951 0.759 1
1 712 . 3 1 1 A 55 55 LYS CB C 55 32.370 32.943 -0.573 1
1 716 . 3 1 1 A 55 55 LYS N N 55 119.903 122.908 -3.005 1
1 717 . 3 1 1 A 56 56 ASP H H 56 8.853 7.932 0.921 1
1 718 . 3 1 1 A 56 56 ASP HA H 56 4.655 4.826 -0.171 1
1 721 . 3 1 1 A 56 56 ASP C C 56 175.158 174.890 0.268 1
1 722 . 3 1 1 A 56 56 ASP CA C 56 53.930 53.756 0.174 1
1 723 . 3 1 1 A 56 56 ASP CB C 56 40.220 39.228 0.992 1
1 724 . 3 1 1 A 56 56 ASP N N 56 116.429 118.494 -2.065 1
1 725 . 3 1 1 A 57 57 LYS H H 57 7.655 8.156 -0.501 1
1 726 . 3 1 1 A 57 57 LYS HA H 57 4.701 5.087 -0.386 1
1 735 . 3 1 1 A 57 57 LYS C C 57 175.236 174.203 1.033 1
1 736 . 3 1 1 A 57 57 LYS CA C 57 53.830 54.976 -1.146 1
1 737 . 3 1 1 A 57 57 LYS CB C 57 35.550 36.095 -0.545 1
1 741 . 3 1 1 A 57 57 LYS N N 57 119.510 118.887 0.623 1
1 742 . 3 1 1 A 58 58 LYS H H 58 8.265 8.692 -0.427 1
1 743 . 3 1 1 A 58 58 LYS HA H 58 4.745 5.037 -0.292 1
1 752 . 3 1 1 A 58 58 LYS C C 58 175.651 175.699 -0.048 1
1 753 . 3 1 1 A 58 58 LYS CA C 58 56.870 55.384 1.486 1
1 754 . 3 1 1 A 58 58 LYS CB C 58 33.250 33.762 -0.512 1
1 758 . 3 1 1 A 58 58 LYS N N 58 120.091 123.010 -2.919 1
1 759 . 3 1 1 A 59 59 VAL H H 59 9.233 9.339 -0.106 1
1 760 . 3 1 1 A 59 59 VAL HA H 59 5.231 5.392 -0.161 1
1 768 . 3 1 1 A 59 59 VAL C C 59 173.556 174.148 -0.592 1
1 769 . 3 1 1 A 59 59 VAL CA C 59 60.930 61.195 -0.265 1
1 770 . 3 1 1 A 59 59 VAL CB C 59 34.300 34.857 -0.557 1
1 772 . 3 1 1 A 59 59 VAL N N 59 127.047 127.149 -0.102 1
1 773 . 3 1 1 A 60 60 LEU H H 60 9.228 8.976 0.252 1
1 774 . 3 1 1 A 60 60 LEU HA H 60 4.815 5.175 -0.360 1
1 784 . 3 1 1 A 60 60 LEU C C 60 173.421 175.079 -1.658 1
1 785 . 3 1 1 A 60 60 LEU CA C 60 52.586 53.593 -1.007 1
1 786 . 3 1 1 A 60 60 LEU CB C 60 45.660 44.965 0.695 1
1 790 . 3 1 1 A 60 60 LEU N N 60 129.197 129.653 -0.456 1
1 791 . 3 1 1 A 61 61 LEU H H 61 9.055 9.153 -0.098 1
1 792 . 3 1 1 A 61 61 LEU HA H 61 5.713 5.044 0.669 1
1 802 . 3 1 1 A 61 61 LEU C C 61 176.683 176.731 -0.048 1
1 803 . 3 1 1 A 61 61 LEU CA C 61 52.760 54.335 -1.575 1
1 804 . 3 1 1 A 61 61 LEU CB C 61 43.220 41.091 2.129 1
1 808 . 3 1 1 A 61 61 LEU N N 61 125.903 129.052 -3.149 1
1 809 . 3 1 1 A 62 62 HIS H H 62 9.148 8.971 0.177 1
1 810 . 3 1 1 A 62 62 HIS HA H 62 5.440 5.444 -0.004 1
1 816 . 3 1 1 A 62 62 HIS C C 62 172.301 173.860 -1.559 1
1 817 . 3 1 1 A 62 62 HIS CA C 62 54.580 53.978 0.602 1
1 818 . 3 1 1 A 62 62 HIS CB C 62 33.980 31.801 2.179 1
1 821 . 3 1 1 A 62 62 HIS N N 62 119.183 122.140 -2.957 1
1 823 . 3 1 1 A 63 63 CYS H H 63 9.389 8.242 1.147 1
1 824 . 3 1 1 A 63 63 CYS HA H 63 5.021 4.814 0.207 1
1 827 . 3 1 1 A 63 63 CYS C C 63 177.649 175.128 2.521 1
1 828 . 3 1 1 A 63 63 CYS CA C 63 56.460 57.754 -1.294 1
1 829 . 3 1 1 A 63 63 CYS CB C 63 29.400 30.782 -1.382 1
1 830 . 3 1 1 A 63 63 CYS N N 63 120.896 118.196 2.700 1
1 831 . 3 1 1 A 64 64 ARG H H 64 8.658 8.705 -0.047 1
1 832 . 3 1 1 A 64 64 ARG HA H 64 4.425 3.860 0.565 1
1 839 . 3 1 1 A 64 64 ARG C C 64 174.724 177.215 -2.491 1
1 840 . 3 1 1 A 64 64 ARG CA C 64 59.000 59.612 -0.612 1
1 841 . 3 1 1 A 64 64 ARG CB C 64 30.820 29.989 0.831 1
1 844 . 3 1 1 A 64 64 ARG N N 64 130.651 126.043 4.608 1
1 845 . 3 1 1 A 65 65 ALA H H 65 8.166 7.590 0.576 1
1 846 . 3 1 1 A 65 65 ALA HA H 65 5.399 4.344 1.055 1
1 850 . 3 1 1 A 65 65 ALA C C 65 177.909 177.381 0.528 1
1 851 . 3 1 1 A 65 65 ALA CA C 65 52.020 52.889 -0.869 1
1 852 . 3 1 1 A 65 65 ALA CB C 65 20.270 19.907 0.363 1
1 853 . 3 1 1 A 65 65 ALA N N 65 118.548 119.362 -0.814 1
1 854 . 3 1 1 A 66 66 GLY H H 66 9.300 7.530 1.770 1
1 855 . 3 1 1 A 66 66 GLY HA2 H 66 4.872 4.027 0.845 1
1 856 . 3 1 1 A 66 66 GLY HA3 H 66 4.450 4.039 0.411 1
1 857 . 3 1 1 A 66 66 GLY C C 66 176.761 174.790 1.971 1
1 858 . 3 1 1 A 66 66 GLY CA C 66 46.630 45.491 1.139 1
1 859 . 3 1 1 A 66 66 GLY N N 66 114.644 107.139 7.505 1
1 860 . 3 1 1 A 67 67 ARG H H 67 8.118 7.994 0.124 1
1 861 . 3 1 1 A 67 67 ARG HA H 67 4.141 4.031 0.110 1
1 871 . 3 1 1 A 67 67 ARG C C 67 178.691 178.732 -0.041 1
1 872 . 3 1 1 A 67 67 ARG CA C 67 60.930 58.811 2.119 1
1 873 . 3 1 1 A 67 67 ARG CB C 67 31.240 30.050 1.190 1
1 876 . 3 1 1 A 67 67 ARG N N 67 121.922 122.237 -0.315 1
1 879 . 3 1 1 A 68 68 ARG H H 68 9.366 7.638 1.728 1
1 880 . 3 1 1 A 68 68 ARG HA H 68 4.282 4.078 0.204 1
1 887 . 3 1 1 A 68 68 ARG C C 68 178.681 179.175 -0.494 1
1 888 . 3 1 1 A 68 68 ARG CA C 68 59.410 58.643 0.767 1
1 889 . 3 1 1 A 68 68 ARG CB C 68 30.760 29.416 1.344 1
1 892 . 3 1 1 A 68 68 ARG N N 68 123.821 118.813 5.008 1
1 893 . 3 1 1 A 69 69 ALA H H 69 10.112 8.263 1.849 1
1 894 . 3 1 1 A 69 69 ALA HA H 69 3.800 4.146 -0.346 1
1 898 . 3 1 1 A 69 69 ALA C C 69 178.334 179.791 -1.457 1
1 899 . 3 1 1 A 69 69 ALA CA C 69 55.960 55.271 0.689 1
1 900 . 3 1 1 A 69 69 ALA CB C 69 17.730 18.698 -0.968 1
1 901 . 3 1 1 A 69 69 ALA N N 69 125.465 122.068 3.397 1
1 902 . 3 1 1 A 70 70 LEU H H 70 7.746 7.733 0.013 1
1 903 . 3 1 1 A 70 70 LEU HA H 70 3.340 3.251 0.089 1
1 913 . 3 1 1 A 70 70 LEU C C 70 177.996 178.269 -0.273 1
1 914 . 3 1 1 A 70 70 LEU CA C 70 57.950 57.418 0.532 1
1 915 . 3 1 1 A 70 70 LEU CB C 70 40.720 41.515 -0.795 1
1 919 . 3 1 1 A 70 70 LEU N N 70 118.427 119.388 -0.961 1
1 920 . 3 1 1 A 71 71 ASP H H 71 7.662 8.573 -0.911 1
1 921 . 3 1 1 A 71 71 ASP HA H 71 4.236 4.274 -0.038 1
1 924 . 3 1 1 A 71 71 ASP C C 71 179.560 178.597 0.963 1
1 925 . 3 1 1 A 71 71 ASP CA C 71 57.880 57.365 0.515 1
1 926 . 3 1 1 A 71 71 ASP CB C 71 40.340 40.687 -0.347 1
1 927 . 3 1 1 A 71 71 ASP N N 71 120.180 118.190 1.990 1
1 928 . 3 1 1 A 72 72 ALA H H 72 8.796 7.813 0.983 1
1 929 . 3 1 1 A 72 72 ALA HA H 72 4.101 4.075 0.026 1
1 933 . 3 1 1 A 72 72 ALA C C 72 179.203 179.796 -0.593 1
1 934 . 3 1 1 A 72 72 ALA CA C 72 54.670 54.611 0.059 1
1 935 . 3 1 1 A 72 72 ALA CB C 72 18.490 18.259 0.231 1
1 936 . 3 1 1 A 72 72 ALA N N 72 122.299 122.157 0.142 1
1 937 . 3 1 1 A 73 73 ALA H H 73 8.672 7.563 1.109 1
1 938 . 3 1 1 A 73 73 ALA HA H 73 3.758 4.165 -0.407 1
1 942 . 3 1 1 A 73 73 ALA C C 73 179.251 179.674 -0.423 1
1 943 . 3 1 1 A 73 73 ALA CA C 73 55.950 55.115 0.835 1
1 944 . 3 1 1 A 73 73 ALA CB C 73 17.660 18.152 -0.492 1
1 945 . 3 1 1 A 73 73 ALA N N 73 121.294 120.952 0.342 1
1 946 . 3 1 1 A 74 74 LYS H H 74 8.914 8.163 0.751 1
1 947 . 3 1 1 A 74 74 LYS HA H 74 3.790 3.883 -0.093 1
1 956 . 3 1 1 A 74 74 LYS C C 74 179.589 179.418 0.171 1
1 957 . 3 1 1 A 74 74 LYS CA C 74 60.620 59.309 1.311 1
1 958 . 3 1 1 A 74 74 LYS CB C 74 32.330 32.262 0.068 1
1 962 . 3 1 1 A 74 74 LYS N N 74 119.404 118.014 1.390 1
1 963 . 3 1 1 A 75 75 SER H H 75 7.874 7.970 -0.096 1
1 964 . 3 1 1 A 75 75 SER HA H 75 4.272 4.099 0.173 1
1 967 . 3 1 1 A 75 75 SER C C 75 176.944 176.854 0.090 1
1 968 . 3 1 1 A 75 75 SER CA C 75 61.840 61.912 -0.072 1
1 969 . 3 1 1 A 75 75 SER CB C 75 62.990 62.696 0.294 1
1 970 . 3 1 1 A 75 75 SER N N 75 114.306 116.017 -1.711 1
1 971 . 3 1 1 A 76 76 MET H H 76 8.401 7.777 0.624 1
1 972 . 3 1 1 A 76 76 MET HA H 76 4.881 4.400 0.481 1
1 980 . 3 1 1 A 76 76 MET C C 76 179.811 178.844 0.967 1
1 981 . 3 1 1 A 76 76 MET CA C 76 56.060 58.574 -2.514 1
1 982 . 3 1 1 A 76 76 MET CB C 76 34.780 33.600 1.180 1
1 985 . 3 1 1 A 76 76 MET N N 76 119.510 119.738 -0.228 1
1 986 . 3 1 1 A 77 77 HIS H H 77 9.450 8.170 1.280 1
1 987 . 3 1 1 A 77 77 HIS HA H 77 5.148 4.743 0.405 1
1 992 . 3 1 1 A 77 77 HIS C C 77 181.596 177.858 3.738 1
1 993 . 3 1 1 A 77 77 HIS CA C 77 59.550 59.245 0.305 1
1 994 . 3 1 1 A 77 77 HIS CB C 77 30.720 29.793 0.927 1
1 997 . 3 1 1 A 77 77 HIS N N 77 123.245 117.806 5.439 1
1 998 . 3 1 1 A 78 78 GLU H H 78 7.832 8.251 -0.419 1
1 999 . 3 1 1 A 78 78 GLU HA H 78 4.159 4.058 0.101 1
1 1004 . 3 1 1 A 78 78 GLU C C 78 177.909 179.528 -1.619 1
1 1005 . 3 1 1 A 78 78 GLU CA C 78 59.110 58.945 0.165 1
1 1006 . 3 1 1 A 78 78 GLU CB C 78 29.380 29.352 0.028 1
1 1008 . 3 1 1 A 78 78 GLU N N 78 121.124 120.379 0.745 1
1 1009 . 3 1 1 A 79 79 LEU H H 79 7.161 7.352 -0.191 1
1 1010 . 3 1 1 A 79 79 LEU HA H 79 4.360 4.100 0.260 1
1 1020 . 3 1 1 A 79 79 LEU C C 79 176.934 176.875 0.059 1
1 1021 . 3 1 1 A 79 79 LEU CA C 79 54.820 55.939 -1.119 1
1 1022 . 3 1 1 A 79 79 LEU CB C 79 43.300 43.057 0.243 1
1 1026 . 3 1 1 A 79 79 LEU N N 79 116.655 117.972 -1.317 1
1 1027 . 3 1 1 A 80 80 GLY H H 80 7.545 7.586 -0.041 1
1 1028 . 3 1 1 A 80 80 GLY HA2 H 80 4.101 3.886 0.215 1
1 1029 . 3 1 1 A 80 80 GLY HA3 H 80 3.580 3.965 -0.385 1
1 1030 . 3 1 1 A 80 80 GLY C C 80 174.116 174.158 -0.042 1
1 1031 . 3 1 1 A 80 80 GLY CA C 80 45.010 44.757 0.253 1
1 1032 . 3 1 1 A 80 80 GLY N N 80 105.216 105.491 -0.275 1
1 1033 . 3 1 1 A 81 81 TYR H H 81 7.519 7.782 -0.263 1
1 1034 . 3 1 1 A 81 81 TYR HA H 81 4.727 4.522 0.205 1
1 1041 . 3 1 1 A 81 81 TYR C C 81 174.377 174.836 -0.459 1
1 1042 . 3 1 1 A 81 81 TYR CA C 81 56.960 58.057 -1.097 1
1 1043 . 3 1 1 A 81 81 TYR CB C 81 40.310 39.485 0.825 1
1 1046 . 3 1 1 A 81 81 TYR N N 81 119.660 119.800 -0.140 1
1 1047 . 3 1 1 A 82 82 THR H H 82 8.786 8.797 -0.011 1
1 1048 . 3 1 1 A 82 82 THR HA H 82 3.390 3.790 -0.400 1
1 1053 . 3 1 1 A 82 82 THR CA C 82 57.030 58.357 -1.327 1
1 1054 . 3 1 1 A 82 82 THR CB C 82 68.740 68.960 -0.220 1
1 1056 . 3 1 1 A 82 82 THR N N 82 105.368 113.834 -8.466 1
1 1057 . 3 1 1 A 83 83 PRO HA H 83 5.003 4.814 0.189 1
1 1064 . 3 1 1 A 83 83 PRO C C 83 175.699 176.553 -0.854 1
1 1065 . 3 1 1 A 83 83 PRO CA C 83 63.140 62.479 0.661 1
1 1066 . 3 1 1 A 83 83 PRO CB C 83 31.570 32.373 -0.803 1
1 1069 . 3 1 1 A 84 84 TYR H H 84 9.497 8.643 0.854 1
1 1070 . 3 1 1 A 84 84 TYR HA H 84 5.482 5.228 0.254 1
1 1077 . 3 1 1 A 84 84 TYR C C 84 175.506 175.205 0.301 1
1 1078 . 3 1 1 A 84 84 TYR CA C 84 57.570 57.864 -0.294 1
1 1079 . 3 1 1 A 84 84 TYR CB C 84 40.500 39.341 1.159 1
1 1082 . 3 1 1 A 84 84 TYR N N 84 119.880 120.422 -0.542 1
1 1083 . 3 1 1 A 85 85 TYR H H 85 8.570 8.450 0.120 1
1 1084 . 3 1 1 A 85 85 TYR HA H 85 5.730 5.538 0.192 1
1 1089 . 3 1 1 A 85 85 TYR C C 85 172.215 172.248 -0.033 1
1 1090 . 3 1 1 A 85 85 TYR CA C 85 55.240 56.391 -1.151 1
1 1091 . 3 1 1 A 85 85 TYR CB C 85 40.830 40.969 -0.139 1
1 1093 . 3 1 1 A 85 85 TYR N N 85 116.764 118.156 -1.392 1
1 1094 . 3 1 1 A 86 86 LEU H H 86 8.196 9.084 -0.888 1
1 1095 . 3 1 1 A 86 86 LEU HA H 86 4.881 5.017 -0.136 1
1 1105 . 3 1 1 A 86 86 LEU C C 86 177.552 174.665 2.887 1
1 1106 . 3 1 1 A 86 86 LEU CA C 86 53.376 54.044 -0.668 1
1 1107 . 3 1 1 A 86 86 LEU CB C 86 44.360 43.743 0.617 1
1 1111 . 3 1 1 A 86 86 LEU N N 86 121.589 124.598 -3.009 1
1 1112 . 3 1 1 A 87 87 GLU H H 87 9.146 8.648 0.498 1
1 1113 . 3 1 1 A 87 87 GLU HA H 87 4.797 4.936 -0.139 1
1 1118 . 3 1 1 A 87 87 GLU C C 87 174.965 176.266 -1.301 1
1 1119 . 3 1 1 A 87 87 GLU CA C 87 55.405 55.532 -0.127 1
1 1120 . 3 1 1 A 87 87 GLU CB C 87 30.010 29.946 0.064 1
1 1122 . 3 1 1 A 87 87 GLU N N 87 128.779 126.647 2.132 1
1 1123 . 3 1 1 A 88 88 GLY H H 88 7.349 8.458 -1.109 1
1 1124 . 3 1 1 A 88 88 GLY HA2 H 88 4.110 4.261 -0.151 1
1 1125 . 3 1 1 A 88 88 GLY HA3 H 88 4.023 4.321 -0.298 1
1 1126 . 3 1 1 A 88 88 GLY C C 88 170.593 171.953 -1.360 1
1 1127 . 3 1 1 A 88 88 GLY CA C 88 44.970 45.584 -0.614 1
1 1128 . 3 1 1 A 88 88 GLY N N 88 112.564 110.922 1.642 1
1 1129 . 3 1 1 A 89 89 ASN H H 89 8.756 8.685 0.071 1
1 1130 . 3 1 1 A 89 89 ASN HA H 89 5.722 5.024 0.698 1
1 1135 . 3 1 1 A 89 89 ASN C C 89 176.336 176.213 0.123 1
1 1136 . 3 1 1 A 89 89 ASN CA C 89 52.210 53.959 -1.749 1
1 1137 . 3 1 1 A 89 89 ASN CB C 89 40.950 38.240 2.710 1
1 1138 . 3 1 1 A 89 89 ASN N N 89 121.363 119.261 2.102 1
1 1140 . 3 1 1 A 90 90 VAL H H 90 8.928 8.586 0.342 1
1 1141 . 3 1 1 A 90 90 VAL HA H 90 4.425 2.393 2.032 1
1 1149 . 3 1 1 A 90 90 VAL C C 90 175.660 176.438 -0.778 1
1 1150 . 3 1 1 A 90 90 VAL CA C 90 58.930 64.241 -5.311 1
1 1151 . 3 1 1 A 90 90 VAL CB C 90 30.860 31.440 -0.580 1
1 1154 . 3 1 1 A 90 90 VAL N N 90 128.990 125.912 3.078 1
1 1155 . 3 1 1 A 91 91 TYR H H 91 8.330 7.659 0.671 1
1 1156 . 3 1 1 A 91 91 TYR HA H 91 4.016 4.327 -0.311 1
1 1163 . 3 1 1 A 91 91 TYR C C 91 175.718 178.013 -2.295 1
1 1164 . 3 1 1 A 91 91 TYR CA C 91 61.700 60.623 1.077 1
1 1165 . 3 1 1 A 91 91 TYR CB C 91 36.580 37.372 -0.792 1
1 1168 . 3 1 1 A 91 91 TYR N N 91 119.510 119.946 -0.436 1
1 1169 . 3 1 1 A 92 92 ASP H H 92 8.654 7.893 0.761 1
1 1170 . 3 1 1 A 92 92 ASP HA H 92 5.146 4.730 0.416 1
1 1173 . 3 1 1 A 92 92 ASP C C 92 177.224 179.581 -2.357 1
1 1174 . 3 1 1 A 92 92 ASP CA C 92 54.290 56.348 -2.058 1
1 1175 . 3 1 1 A 92 92 ASP CB C 92 42.670 40.625 2.045 1
1 1176 . 3 1 1 A 92 92 ASP N N 92 117.541 119.843 -2.302 1
1 1177 . 3 1 1 A 93 93 PHE H H 93 7.673 7.735 -0.062 1
1 1178 . 3 1 1 A 93 93 PHE HA H 93 4.688 4.546 0.142 1
1 1186 . 3 1 1 A 93 93 PHE C C 93 179.270 178.646 0.624 1
1 1187 . 3 1 1 A 93 93 PHE CA C 93 60.340 61.943 -1.603 1
1 1188 . 3 1 1 A 93 93 PHE CB C 93 36.010 38.611 -2.601 1
1 1192 . 3 1 1 A 93 93 PHE N N 93 123.205 117.907 5.298 1
1 1193 . 3 1 1 A 94 94 GLU H H 94 9.164 8.456 0.708 1
1 1194 . 3 1 1 A 94 94 GLU HA H 94 4.676 4.226 0.450 1
1 1199 . 3 1 1 A 94 94 GLU C C 94 180.805 179.391 1.414 1
1 1200 . 3 1 1 A 94 94 GLU CA C 94 59.240 59.915 -0.675 1
1 1201 . 3 1 1 A 94 94 GLU CB C 94 29.640 28.970 0.670 1
1 1203 . 3 1 1 A 94 94 GLU N N 94 118.657 119.139 -0.482 1
1 1204 . 3 1 1 A 95 95 LYS H H 95 8.005 8.474 -0.469 1
1 1205 . 3 1 1 A 95 95 LYS HA H 95 4.103 4.200 -0.097 1
1 1214 . 3 1 1 A 95 95 LYS C C 95 177.948 177.256 0.692 1
1 1215 . 3 1 1 A 95 95 LYS CA C 95 58.680 58.628 0.052 1
1 1216 . 3 1 1 A 95 95 LYS CB C 95 31.690 31.404 0.286 1
1 1220 . 3 1 1 A 95 95 LYS N N 95 121.494 119.055 2.439 1
1 1221 . 3 1 1 A 96 96 TYR H H 96 7.710 7.816 -0.106 1
1 1222 . 3 1 1 A 96 96 TYR HA H 96 4.332 4.613 -0.281 1
1 1229 . 3 1 1 A 96 96 TYR C C 96 174.550 175.610 -1.060 1
1 1230 . 3 1 1 A 96 96 TYR CA C 96 59.370 58.010 1.360 1
1 1231 . 3 1 1 A 96 96 TYR CB C 96 38.340 38.795 -0.455 1
1 1234 . 3 1 1 A 96 96 TYR N N 96 117.421 118.767 -1.346 1
1 1235 . 3 1 1 A 97 97 GLY H H 97 7.796 7.913 -0.117 1
1 1236 . 3 1 1 A 97 97 GLY HA2 H 97 3.966 3.843 0.123 1
1 1237 . 3 1 1 A 97 97 GLY HA3 H 97 3.580 3.968 -0.388 1
1 1238 . 3 1 1 A 97 97 GLY C C 97 173.662 174.615 -0.953 1
1 1239 . 3 1 1 A 97 97 GLY CA C 97 45.160 45.112 0.048 1
1 1240 . 3 1 1 A 97 97 GLY N N 97 105.806 107.471 -1.665 1
1 1241 . 3 1 1 A 98 98 PHE H H 98 7.323 7.777 -0.454 1
1 1242 . 3 1 1 A 98 98 PHE HA H 98 4.644 4.488 0.156 1
1 1250 . 3 1 1 A 98 98 PHE C C 98 173.353 175.232 -1.879 1
1 1251 . 3 1 1 A 98 98 PHE CA C 98 57.490 58.791 -1.301 1
1 1252 . 3 1 1 A 98 98 PHE CB C 98 38.550 39.540 -0.990 1
1 1256 . 3 1 1 A 98 98 PHE N N 98 120.718 119.438 1.280 1
1 1257 . 3 1 1 A 99 99 ARG H H 99 7.903 8.735 -0.832 1
1 1258 . 3 1 1 A 99 99 ARG HA H 99 4.283 4.439 -0.156 1
1 1265 . 3 1 1 A 99 99 ARG C C 99 175.680 175.162 0.518 1
1 1266 . 3 1 1 A 99 99 ARG CA C 99 56.320 56.906 -0.586 1
1 1267 . 3 1 1 A 99 99 ARG CB C 99 30.610 30.959 -0.349 1
1 1270 . 3 1 1 A 99 99 ARG N N 99 122.817 125.077 -2.260 1
1 1271 . 3 1 1 A 100 100 MET H H 100 8.133 8.774 -0.641 1
1 1272 . 3 1 1 A 100 100 MET HA H 100 4.843 5.151 -0.308 1
1 1280 . 3 1 1 A 100 100 MET C C 100 175.255 174.011 1.244 1
1 1281 . 3 1 1 A 100 100 MET CA C 100 52.343 54.037 -1.694 1
1 1282 . 3 1 1 A 100 100 MET CB C 100 34.410 37.495 -3.085 1
1 1285 . 3 1 1 A 100 100 MET N N 100 121.483 124.859 -3.376 1
1 1286 . 3 1 1 A 101 101 VAL H H 101 8.471 8.356 0.115 1
1 1287 . 3 1 1 A 101 101 VAL HA H 101 3.890 4.756 -0.866 1
1 1295 . 3 1 1 A 101 101 VAL C C 101 175.351 175.072 0.279 1
1 1296 . 3 1 1 A 101 101 VAL CA C 101 61.500 61.194 0.306 1
1 1297 . 3 1 1 A 101 101 VAL CB C 101 31.730 32.976 -1.246 1
1 1300 . 3 1 1 A 101 101 VAL N N 101 119.940 121.129 -1.189 1
1 1301 . 3 1 1 A 102 102 TYR H H 102 8.612 8.984 -0.372 1
1 1302 . 3 1 1 A 102 102 TYR HA H 102 4.938 4.917 0.021 1
1 1309 . 3 1 1 A 102 102 TYR C C 102 175.892 175.184 0.708 1
1 1310 . 3 1 1 A 102 102 TYR CA C 102 57.140 57.505 -0.365 1
1 1311 . 3 1 1 A 102 102 TYR CB C 102 40.990 40.542 0.448 1
1 1314 . 3 1 1 A 102 102 TYR N N 102 126.390 126.132 0.258 1
1 1315 . 3 1 1 A 103 103 ASP H H 103 8.071 8.962 -0.891 1
1 1316 . 3 1 1 A 103 103 ASP HA H 103 4.621 4.267 0.354 1
1 1319 . 3 1 1 A 103 103 ASP C C 103 176.220 175.713 0.507 1
1 1320 . 3 1 1 A 103 103 ASP CA C 103 55.050 55.477 -0.427 1
1 1321 . 3 1 1 A 103 103 ASP CB C 103 40.220 38.849 1.371 1
1 1322 . 3 1 1 A 103 103 ASP N N 103 120.738 119.513 1.225 1
1 1323 . 3 1 1 A 104 104 ASP H H 104 8.642 7.993 0.649 1
1 1324 . 3 1 1 A 104 104 ASP HA H 104 4.730 4.510 0.220 1
1 1327 . 3 1 1 A 104 104 ASP C C 104 176.095 177.619 -1.524 1
1 1328 . 3 1 1 A 104 104 ASP CA C 104 53.510 55.615 -2.105 1
1 1329 . 3 1 1 A 104 104 ASP CB C 104 41.060 40.713 0.347 1
1 1330 . 3 1 1 A 104 104 ASP N N 104 121.582 118.341 3.241 1
1 1331 . 3 1 1 A 105 105 THR H H 105 8.119 7.360 0.759 1
1 1332 . 3 1 1 A 105 105 THR HA H 105 4.389 3.927 0.462 1
1 1337 . 3 1 1 A 105 105 THR C C 105 173.508 173.683 -0.175 1
1 1338 . 3 1 1 A 105 105 THR CA C 105 61.580 65.772 -4.192 1
1 1339 . 3 1 1 A 105 105 THR CB C 105 69.840 69.205 0.635 1
1 1341 . 3 1 1 A 105 105 THR N N 105 113.632 114.425 -0.793 1
1 1342 . 3 1 1 A 106 106 CYS H H 106 8.013 7.238 0.775 1
1 1343 . 3 1 1 A 106 106 CYS N N 106 129.098 117.286 11.812 1
1 1344 . 3 1 1 A 107 107 ASP HA H 107 4.606 4.625 -0.019 1
1 1347 . 3 1 1 A 107 107 ASP C C 107 176.075 176.311 -0.236 1
1 1348 . 3 1 1 A 107 107 ASP CA C 107 54.790 54.136 0.654 1
1 1349 . 3 1 1 A 107 107 ASP CB C 107 40.990 39.977 1.013 1
1 1350 . 3 1 1 A 108 108 LYS H H 108 8.216 8.199 0.017 1
1 1351 . 3 1 1 A 108 108 LYS HA H 108 4.326 4.040 0.286 1
1 1360 . 3 1 1 A 108 108 LYS C C 108 176.490 176.351 0.139 1
1 1361 . 3 1 1 A 108 108 LYS CA C 108 56.140 59.102 -2.962 1
1 1362 . 3 1 1 A 108 108 LYS CB C 108 32.910 32.861 0.049 1
1 1366 . 3 1 1 A 108 108 LYS N N 108 121.982 126.740 -4.758 1
1 1367 . 3 1 1 A 109 109 LYS H H 109 8.411 7.654 0.757 1
1 1368 . 3 1 1 A 109 109 LYS HA H 109 4.344 4.621 -0.277 1
1 1377 . 3 1 1 A 109 109 LYS C C 109 175.583 176.104 -0.521 1
1 1378 . 3 1 1 A 109 109 LYS CA C 109 56.150 55.780 0.370 1
1 1379 . 3 1 1 A 109 109 LYS CB C 109 33.050 33.595 -0.545 1
1 1383 . 3 1 1 A 109 109 LYS N N 109 122.966 115.644 7.322 1
1 14 . 4 1 1 A 2 2 LEU H H 2 8.858 7.829 1.029 1
1 15 . 4 1 1 A 2 2 LEU HA H 2 4.010 4.246 -0.236 1
1 25 . 4 1 1 A 2 2 LEU C C 2 179.512 178.363 1.149 1
1 26 . 4 1 1 A 2 2 LEU CA C 2 57.230 55.726 1.504 1
1 27 . 4 1 1 A 2 2 LEU CB C 2 41.500 40.866 0.634 1
1 31 . 4 1 1 A 2 2 LEU N N 2 124.589 115.444 9.145 1
1 32 . 4 1 1 A 3 3 GLU H H 3 9.299 9.087 0.212 1
1 33 . 4 1 1 A 3 3 GLU HA H 3 4.234 4.524 -0.290 1
1 38 . 4 1 1 A 3 3 GLU C C 3 178.189 177.321 0.868 1
1 39 . 4 1 1 A 3 3 GLU CA C 3 59.930 58.367 1.563 1
1 40 . 4 1 1 A 3 3 GLU CB C 3 28.810 27.861 0.949 1
1 42 . 4 1 1 A 3 3 GLU N N 3 118.833 122.115 -3.282 1
1 43 . 4 1 1 A 4 4 ASP H H 4 8.188 8.231 -0.043 1
1 44 . 4 1 1 A 4 4 ASP HA H 4 4.524 4.477 0.047 1
1 47 . 4 1 1 A 4 4 ASP C C 4 176.722 177.421 -0.699 1
1 48 . 4 1 1 A 4 4 ASP CA C 4 56.240 56.506 -0.266 1
1 49 . 4 1 1 A 4 4 ASP CB C 4 39.910 40.761 -0.851 1
1 50 . 4 1 1 A 4 4 ASP N N 4 118.286 120.005 -1.719 1
1 51 . 4 1 1 A 5 5 TYR H H 5 8.336 8.042 0.294 1
1 52 . 4 1 1 A 5 5 TYR HA H 5 4.284 4.576 -0.292 1
1 59 . 4 1 1 A 5 5 TYR C C 5 172.456 175.496 -3.040 1
1 60 . 4 1 1 A 5 5 TYR CA C 5 58.770 58.583 0.187 1
1 61 . 4 1 1 A 5 5 TYR CB C 5 37.820 38.270 -0.450 1
1 64 . 4 1 1 A 5 5 TYR N N 5 119.641 115.923 3.718 1
1 65 . 4 1 1 A 6 6 ALA H H 6 6.748 7.291 -0.543 1
1 66 . 4 1 1 A 6 6 ALA HA H 6 3.470 3.272 0.198 1
1 70 . 4 1 1 A 6 6 ALA C C 6 178.122 176.140 1.982 1
1 71 . 4 1 1 A 6 6 ALA CA C 6 51.440 51.390 0.050 1
1 72 . 4 1 1 A 6 6 ALA CB C 6 19.600 18.643 0.957 1
1 73 . 4 1 1 A 6 6 ALA N N 6 122.727 122.716 0.011 1
1 74 . 4 1 1 A 7 7 ILE H H 7 8.665 8.309 0.356 1
1 75 . 4 1 1 A 7 7 ILE HA H 7 4.303 4.799 -0.496 1
1 85 . 4 1 1 A 7 7 ILE C C 7 174.386 175.404 -1.018 1
1 86 . 4 1 1 A 7 7 ILE CA C 7 58.640 59.862 -1.222 1
1 87 . 4 1 1 A 7 7 ILE CB C 7 39.820 39.386 0.434 1
1 91 . 4 1 1 A 7 7 ILE N N 7 124.318 124.150 0.168 1
1 92 . 4 1 1 A 8 8 SER H H 8 8.884 8.889 -0.005 1
1 93 . 4 1 1 A 8 8 SER HA H 8 4.881 4.803 0.078 1
1 96 . 4 1 1 A 8 8 SER C C 8 176.268 175.549 0.719 1
1 97 . 4 1 1 A 8 8 SER CA C 8 57.157 57.564 -0.407 1
1 98 . 4 1 1 A 8 8 SER CB C 8 64.390 64.996 -0.606 1
1 99 . 4 1 1 A 8 8 SER N N 8 122.739 122.692 0.047 1
1 100 . 4 1 1 A 9 9 LEU H H 9 8.077 8.283 -0.206 1
1 101 . 4 1 1 A 9 9 LEU HA H 9 3.652 3.936 -0.284 1
1 111 . 4 1 1 A 9 9 LEU C C 9 175.322 178.557 -3.235 1
1 112 . 4 1 1 A 9 9 LEU CA C 9 57.190 58.040 -0.850 1
1 113 . 4 1 1 A 9 9 LEU CB C 9 42.290 41.730 0.560 1
1 117 . 4 1 1 A 9 9 LEU N N 9 126.321 127.972 -1.651 1
1 118 . 4 1 1 A 10 10 GLU H H 10 8.361 9.501 -1.140 1
1 119 . 4 1 1 A 10 10 GLU HA H 10 3.754 4.348 -0.594 1
1 124 . 4 1 1 A 10 10 GLU C C 10 176.452 177.076 -0.624 1
1 125 . 4 1 1 A 10 10 GLU CA C 10 58.470 58.202 0.268 1
1 126 . 4 1 1 A 10 10 GLU CB C 10 29.480 28.203 1.277 1
1 128 . 4 1 1 A 10 10 GLU N N 10 112.911 117.332 -4.421 1
1 129 . 4 1 1 A 11 11 GLU H H 11 7.284 8.108 -0.824 1
1 130 . 4 1 1 A 11 11 GLU HA H 11 4.531 4.516 0.015 1
1 135 . 4 1 1 A 11 11 GLU C C 11 176.539 176.167 0.372 1
1 136 . 4 1 1 A 11 11 GLU CA C 11 55.240 56.041 -0.801 1
1 137 . 4 1 1 A 11 11 GLU CB C 11 32.160 31.076 1.084 1
1 139 . 4 1 1 A 11 11 GLU N N 11 114.276 115.593 -1.317 1
1 140 . 4 1 1 A 12 12 VAL H H 12 7.077 7.307 -0.230 1
1 141 . 4 1 1 A 12 12 VAL HA H 12 3.677 4.045 -0.368 1
1 149 . 4 1 1 A 12 12 VAL C C 12 173.900 174.598 -0.698 1
1 150 . 4 1 1 A 12 12 VAL CA C 12 62.510 61.845 0.665 1
1 151 . 4 1 1 A 12 12 VAL CB C 12 31.920 32.707 -0.787 1
1 154 . 4 1 1 A 12 12 VAL N N 12 121.932 121.133 0.799 1
1 155 . 4 1 1 A 13 13 ASN H H 13 7.996 8.751 -0.755 1
1 156 . 4 1 1 A 13 13 ASN HA H 13 4.840 5.209 -0.369 1
1 161 . 4 1 1 A 13 13 ASN C C 13 176.876 175.318 1.558 1
1 162 . 4 1 1 A 13 13 ASN CA C 13 52.168 51.813 0.355 1
1 163 . 4 1 1 A 13 13 ASN CB C 13 38.500 39.684 -1.184 1
1 164 . 4 1 1 A 13 13 ASN N N 13 121.232 125.738 -4.506 1
1 166 . 4 1 1 A 14 14 PHE H H 14 6.268 8.151 -1.883 1
1 167 . 4 1 1 A 14 14 PHE HA H 14 3.868 4.250 -0.382 1
1 175 . 4 1 1 A 14 14 PHE C C 14 176.423 178.051 -1.628 1
1 176 . 4 1 1 A 14 14 PHE CA C 14 62.520 61.010 1.510 1
1 177 . 4 1 1 A 14 14 PHE CB C 14 38.780 38.516 0.264 1
1 181 . 4 1 1 A 14 14 PHE N N 14 120.637 122.092 -1.455 1
1 182 . 4 1 1 A 15 15 ASN H H 15 8.184 8.209 -0.025 1
1 183 . 4 1 1 A 15 15 ASN HA H 15 4.602 4.381 0.221 1
1 188 . 4 1 1 A 15 15 ASN C C 15 175.738 177.706 -1.968 1
1 189 . 4 1 1 A 15 15 ASN CA C 15 55.240 56.089 -0.849 1
1 190 . 4 1 1 A 15 15 ASN CB C 15 38.270 38.078 0.192 1
1 191 . 4 1 1 A 15 15 ASN N N 15 113.599 116.998 -3.399 1
1 193 . 4 1 1 A 16 16 ASP H H 16 7.680 7.462 0.218 1
1 194 . 4 1 1 A 16 16 ASP HA H 16 4.450 4.187 0.263 1
1 197 . 4 1 1 A 16 16 ASP C C 16 174.589 175.454 -0.865 1
1 198 . 4 1 1 A 16 16 ASP CA C 16 54.860 56.152 -1.292 1
1 199 . 4 1 1 A 16 16 ASP CB C 16 41.140 41.077 0.063 1
1 200 . 4 1 1 A 16 16 ASP N N 16 117.808 118.116 -0.308 1
1 201 . 4 1 1 A 17 17 PHE H H 17 7.648 7.385 0.263 1
1 202 . 4 1 1 A 17 17 PHE HA H 17 4.788 5.006 -0.218 1
1 210 . 4 1 1 A 17 17 PHE C C 17 175.516 175.868 -0.352 1
1 211 . 4 1 1 A 17 17 PHE CA C 17 56.790 57.065 -0.275 1
1 212 . 4 1 1 A 17 17 PHE CB C 17 44.090 41.465 2.625 1
1 216 . 4 1 1 A 17 17 PHE N N 17 116.207 115.464 0.743 1
1 217 . 4 1 1 A 18 18 ILE H H 18 8.674 8.979 -0.305 1
1 218 . 4 1 1 A 18 18 ILE HA H 18 4.335 4.459 -0.124 1
1 228 . 4 1 1 A 18 18 ILE C C 18 175.612 175.889 -0.277 1
1 229 . 4 1 1 A 18 18 ILE CA C 18 60.930 61.528 -0.598 1
1 230 . 4 1 1 A 18 18 ILE CB C 18 37.620 37.444 0.176 1
1 234 . 4 1 1 A 18 18 ILE N N 18 121.498 123.381 -1.883 1
1 235 . 4 1 1 A 19 19 VAL H H 19 9.009 8.325 0.684 1
1 236 . 4 1 1 A 19 19 VAL HA H 19 4.760 4.895 -0.135 1
1 244 . 4 1 1 A 19 19 VAL C C 19 175.622 175.317 0.305 1
1 245 . 4 1 1 A 19 19 VAL CA C 19 62.974 61.844 1.130 1
1 246 . 4 1 1 A 19 19 VAL CB C 19 32.770 32.528 0.242 1
1 249 . 4 1 1 A 19 19 VAL N N 19 129.378 128.686 0.692 1
1 250 . 4 1 1 A 20 20 VAL H H 20 9.606 9.028 0.578 1
1 251 . 4 1 1 A 20 20 VAL HA H 20 4.581 4.458 0.123 1
1 259 . 4 1 1 A 20 20 VAL C C 20 172.234 174.739 -2.505 1
1 260 . 4 1 1 A 20 20 VAL CA C 20 60.660 60.697 -0.037 1
1 261 . 4 1 1 A 20 20 VAL CB C 20 33.910 35.166 -1.256 1
1 264 . 4 1 1 A 20 20 VAL N N 20 131.965 126.937 5.028 1
1 265 . 4 1 1 A 21 21 ASP H H 21 8.367 8.714 -0.347 1
1 266 . 4 1 1 A 21 21 ASP HA H 21 4.105 4.261 -0.156 1
1 269 . 4 1 1 A 21 21 ASP C C 21 176.182 175.434 0.748 1
1 270 . 4 1 1 A 21 21 ASP CA C 21 50.850 53.327 -2.477 1
1 271 . 4 1 1 A 21 21 ASP CB C 21 43.460 40.848 2.612 1
1 272 . 4 1 1 A 21 21 ASP N N 21 129.516 127.577 1.939 1
1 273 . 4 1 1 A 22 22 VAL H H 22 8.095 7.911 0.184 1
1 274 . 4 1 1 A 22 22 VAL HA H 22 5.720 4.825 0.895 1
1 282 . 4 1 1 A 22 22 VAL C C 22 178.006 174.745 3.261 1
1 283 . 4 1 1 A 22 22 VAL CA C 22 58.990 61.214 -2.224 1
1 284 . 4 1 1 A 22 22 VAL CB C 22 30.150 31.316 -1.166 1
1 287 . 4 1 1 A 22 22 VAL N N 22 114.833 120.624 -5.791 1
1 288 . 4 1 1 A 23 23 ARG H H 23 7.467 7.966 -0.499 1
1 289 . 4 1 1 A 23 23 ARG HA H 23 4.358 4.574 -0.216 1
1 299 . 4 1 1 A 23 23 ARG C C 23 172.157 175.954 -3.797 1
1 300 . 4 1 1 A 23 23 ARG CA C 23 56.190 56.383 -0.193 1
1 301 . 4 1 1 A 23 23 ARG CB C 23 31.230 31.795 -0.565 1
1 304 . 4 1 1 A 23 23 ARG N N 23 120.418 125.007 -4.589 1
1 307 . 4 1 1 A 24 24 GLU H H 24 7.372 7.664 -0.292 1
1 308 . 4 1 1 A 24 24 GLU HA H 24 4.454 4.852 -0.398 1
1 313 . 4 1 1 A 24 24 GLU C C 24 178.807 176.314 2.493 1
1 314 . 4 1 1 A 24 24 GLU CA C 24 53.870 54.643 -0.773 1
1 315 . 4 1 1 A 24 24 GLU CB C 24 31.610 33.914 -2.304 1
1 317 . 4 1 1 A 24 24 GLU N N 24 111.001 116.520 -5.519 1
1 318 . 4 1 1 A 25 25 LEU H H 25 8.842 8.490 0.352 1
1 319 . 4 1 1 A 25 25 LEU HA H 25 3.922 3.981 -0.059 1
1 329 . 4 1 1 A 25 25 LEU C C 25 177.591 177.632 -0.041 1
1 330 . 4 1 1 A 25 25 LEU CA C 25 58.800 58.126 0.674 1
1 331 . 4 1 1 A 25 25 LEU CB C 25 42.000 41.205 0.795 1
1 335 . 4 1 1 A 25 25 LEU N N 25 122.468 125.677 -3.209 1
1 336 . 4 1 1 A 26 26 ASP H H 26 8.671 8.124 0.547 1
1 337 . 4 1 1 A 26 26 ASP HA H 26 4.389 4.432 -0.043 1
1 340 . 4 1 1 A 26 26 ASP C C 26 178.739 178.233 0.506 1
1 341 . 4 1 1 A 26 26 ASP CA C 26 56.540 57.870 -1.330 1
1 342 . 4 1 1 A 26 26 ASP CB C 26 39.570 42.344 -2.774 1
1 343 . 4 1 1 A 26 26 ASP N N 26 114.189 118.975 -4.786 1
1 344 . 4 1 1 A 27 27 GLU H H 27 7.235 8.145 -0.910 1
1 345 . 4 1 1 A 27 27 GLU HA H 27 4.304 4.040 0.264 1
1 350 . 4 1 1 A 27 27 GLU C C 27 177.678 178.746 -1.068 1
1 351 . 4 1 1 A 27 27 GLU CA C 27 58.830 59.060 -0.230 1
1 352 . 4 1 1 A 27 27 GLU CB C 27 30.650 29.528 1.122 1
1 354 . 4 1 1 A 27 27 GLU N N 27 120.618 118.998 1.620 1
1 355 . 4 1 1 A 28 28 TYR H H 28 7.703 8.000 -0.297 1
1 356 . 4 1 1 A 28 28 TYR HA H 28 4.149 3.969 0.180 1
1 363 . 4 1 1 A 28 28 TYR C C 28 177.108 178.001 -0.893 1
1 364 . 4 1 1 A 28 28 TYR CA C 28 60.600 61.175 -0.575 1
1 365 . 4 1 1 A 28 28 TYR CB C 28 39.300 38.453 0.847 1
1 370 . 4 1 1 A 28 28 TYR N N 28 121.871 121.896 -0.025 1
1 371 . 4 1 1 A 29 29 GLU H H 29 8.727 8.132 0.595 1
1 372 . 4 1 1 A 29 29 GLU HA H 29 3.823 4.401 -0.578 1
1 377 . 4 1 1 A 29 29 GLU C C 29 177.456 178.940 -1.484 1
1 378 . 4 1 1 A 29 29 GLU CA C 29 58.770 59.860 -1.090 1
1 379 . 4 1 1 A 29 29 GLU CB C 29 29.880 29.342 0.538 1
1 381 . 4 1 1 A 29 29 GLU N N 29 116.326 118.348 -2.022 1
1 382 . 4 1 1 A 30 30 GLU H H 30 7.225 8.166 -0.941 1
1 383 . 4 1 1 A 30 30 GLU HA H 30 4.219 4.158 0.061 1
1 388 . 4 1 1 A 30 30 GLU C C 30 177.012 176.326 0.686 1
1 389 . 4 1 1 A 30 30 GLU CA C 30 59.750 59.289 0.461 1
1 390 . 4 1 1 A 30 30 GLU CB C 30 29.310 29.516 -0.206 1
1 392 . 4 1 1 A 30 30 GLU N N 30 119.394 117.609 1.785 1
1 393 . 4 1 1 A 31 31 LEU H H 31 7.512 7.013 0.499 1
1 394 . 4 1 1 A 31 31 LEU HA H 31 5.102 4.483 0.619 1
1 404 . 4 1 1 A 31 31 LEU C C 31 173.363 174.522 -1.159 1
1 405 . 4 1 1 A 31 31 LEU CA C 31 55.760 53.578 2.182 1
1 406 . 4 1 1 A 31 31 LEU CB C 31 42.880 43.419 -0.539 1
1 410 . 4 1 1 A 31 31 LEU N N 31 118.039 116.792 1.247 1
1 411 . 4 1 1 A 32 32 HIS H H 32 8.196 8.376 -0.180 1
1 412 . 4 1 1 A 32 32 HIS HA H 32 4.433 5.069 -0.636 1
1 417 . 4 1 1 A 32 32 HIS C C 32 171.973 172.230 -0.257 1
1 418 . 4 1 1 A 32 32 HIS CA C 32 54.660 54.174 0.486 1
1 419 . 4 1 1 A 32 32 HIS CB C 32 31.500 31.500 0.000 1
1 422 . 4 1 1 A 32 32 HIS N N 32 114.425 115.369 -0.944 1
1 423 . 4 1 1 A 33 33 LEU H H 33 10.099 8.645 1.454 1
1 424 . 4 1 1 A 33 33 LEU HA H 33 4.745 4.238 0.507 1
1 434 . 4 1 1 A 33 33 LEU CA C 33 53.423 53.115 0.308 1
1 435 . 4 1 1 A 33 33 LEU CB C 33 42.750 41.331 1.419 1
1 439 . 4 1 1 A 33 33 LEU N N 33 124.819 120.523 4.296 1
1 440 . 4 1 1 A 34 34 PRO HA H 34 4.328 4.181 0.147 1
1 447 . 4 1 1 A 34 34 PRO C C 34 177.012 177.520 -0.508 1
1 448 . 4 1 1 A 34 34 PRO CA C 34 64.440 65.397 -0.957 1
1 449 . 4 1 1 A 34 34 PRO CB C 34 31.660 31.616 0.044 1
1 452 . 4 1 1 A 35 35 ASN H H 35 8.736 8.459 0.277 1
1 453 . 4 1 1 A 35 35 ASN HA H 35 4.701 4.811 -0.110 1
1 458 . 4 1 1 A 35 35 ASN C C 35 174.801 175.074 -0.273 1
1 459 . 4 1 1 A 35 35 ASN CA C 35 53.470 52.750 0.720 1
1 460 . 4 1 1 A 35 35 ASN CB C 35 37.650 37.677 -0.027 1
1 461 . 4 1 1 A 35 35 ASN N N 35 113.231 113.319 -0.088 1
1 463 . 4 1 1 A 36 36 ALA H H 36 7.434 7.191 0.243 1
1 464 . 4 1 1 A 36 36 ALA HA H 36 4.523 4.616 -0.093 1
1 468 . 4 1 1 A 36 36 ALA C C 36 177.494 176.826 0.668 1
1 469 . 4 1 1 A 36 36 ALA CA C 36 52.700 50.832 1.868 1
1 470 . 4 1 1 A 36 36 ALA CB C 36 21.760 20.450 1.310 1
1 471 . 4 1 1 A 36 36 ALA N N 36 122.419 122.940 -0.521 1
1 472 . 4 1 1 A 37 37 THR H H 37 8.334 8.726 -0.392 1
1 473 . 4 1 1 A 37 37 THR HA H 37 4.184 4.429 -0.245 1
1 479 . 4 1 1 A 37 37 THR C C 37 172.359 174.039 -1.680 1
1 480 . 4 1 1 A 37 37 THR CA C 37 63.020 63.004 0.016 1
1 481 . 4 1 1 A 37 37 THR CB C 37 69.800 68.976 0.824 1
1 483 . 4 1 1 A 37 37 THR N N 37 121.183 119.221 1.962 1
1 484 . 4 1 1 A 38 38 LEU H H 38 8.306 8.553 -0.247 1
1 485 . 4 1 1 A 38 38 LEU HA H 38 4.815 4.373 0.442 1
1 495 . 4 1 1 A 38 38 LEU C C 38 176.529 174.982 1.547 1
1 496 . 4 1 1 A 38 38 LEU CA C 38 53.873 55.521 -1.648 1
1 497 . 4 1 1 A 38 38 LEU CB C 38 41.830 41.818 0.012 1
1 501 . 4 1 1 A 38 38 LEU N N 38 130.981 129.824 1.157 1
1 502 . 4 1 1 A 39 39 ILE H H 39 8.612 8.185 0.427 1
1 503 . 4 1 1 A 39 39 ILE HA H 39 3.779 4.540 -0.761 1
1 513 . 4 1 1 A 39 39 ILE C C 39 172.186 175.005 -2.819 1
1 514 . 4 1 1 A 39 39 ILE CA C 39 62.040 60.060 1.980 1
1 515 . 4 1 1 A 39 39 ILE CB C 39 40.360 41.804 -1.444 1
1 519 . 4 1 1 A 39 39 ILE N N 39 131.100 129.465 1.635 1
1 520 . 4 1 1 A 40 40 SER H H 40 8.123 9.002 -0.879 1
1 521 . 4 1 1 A 40 40 SER HA H 40 3.904 4.655 -0.751 1
1 524 . 4 1 1 A 40 40 SER C C 40 177.629 175.306 2.323 1
1 525 . 4 1 1 A 40 40 SER CA C 40 58.810 59.355 -0.545 1
1 526 . 4 1 1 A 40 40 SER CB C 40 63.090 63.123 -0.033 1
1 527 . 4 1 1 A 40 40 SER N N 40 118.068 123.496 -5.428 1
1 528 . 4 1 1 A 41 41 VAL H H 41 7.739 8.614 -0.875 1
1 529 . 4 1 1 A 41 41 VAL HA H 41 3.913 3.827 0.086 1
1 537 . 4 1 1 A 41 41 VAL C C 41 174.714 177.068 -2.354 1
1 538 . 4 1 1 A 41 41 VAL CA C 41 58.990 64.944 -5.954 1
1 539 . 4 1 1 A 41 41 VAL CB C 41 31.730 31.804 -0.074 1
1 542 . 4 1 1 A 41 41 VAL N N 41 124.290 127.233 -2.943 1
1 543 . 4 1 1 A 42 42 ASN H H 42 8.344 8.759 -0.415 1
1 544 . 4 1 1 A 42 42 ASN HA H 42 4.630 4.463 0.167 1
1 549 . 4 1 1 A 42 42 ASN C C 42 175.699 175.998 -0.299 1
1 550 . 4 1 1 A 42 42 ASN CA C 42 54.860 55.474 -0.614 1
1 551 . 4 1 1 A 42 42 ASN CB C 42 38.610 37.362 1.248 1
1 552 . 4 1 1 A 42 42 ASN N N 42 116.715 116.714 0.001 1
1 554 . 4 1 1 A 43 43 ASP H H 43 8.417 7.622 0.795 1
1 555 . 4 1 1 A 43 43 ASP HA H 43 5.021 4.862 0.159 1
1 558 . 4 1 1 A 43 43 ASP C C 43 175.699 176.027 -0.328 1
1 559 . 4 1 1 A 43 43 ASP CA C 43 52.300 53.043 -0.743 1
1 560 . 4 1 1 A 43 43 ASP CB C 43 39.540 38.837 0.703 1
1 561 . 4 1 1 A 43 43 ASP N N 43 125.038 119.997 5.041 1
1 562 . 4 1 1 A 44 44 GLN H H 44 7.762 8.141 -0.379 1
1 563 . 4 1 1 A 44 44 GLN HA H 44 3.815 4.035 -0.220 1
1 570 . 4 1 1 A 44 44 GLN C C 44 178.430 178.174 0.256 1
1 571 . 4 1 1 A 44 44 GLN CA C 44 59.650 59.125 0.525 1
1 572 . 4 1 1 A 44 44 GLN CB C 44 28.760 28.182 0.578 1
1 574 . 4 1 1 A 44 44 GLN N N 44 119.490 123.270 -3.780 1
1 576 . 4 1 1 A 45 45 GLU H H 45 8.705 8.284 0.421 1
1 577 . 4 1 1 A 45 45 GLU HA H 45 4.059 4.083 -0.024 1
1 582 . 4 1 1 A 45 45 GLU C C 45 178.739 178.813 -0.074 1
1 583 . 4 1 1 A 45 45 GLU CA C 45 59.660 59.454 0.206 1
1 584 . 4 1 1 A 45 45 GLU CB C 45 28.900 29.265 -0.365 1
1 586 . 4 1 1 A 45 45 GLU N N 45 119.373 118.402 0.971 1
1 587 . 4 1 1 A 46 46 LYS H H 46 7.545 7.782 -0.237 1
1 588 . 4 1 1 A 46 46 LYS HA H 46 4.119 4.165 -0.046 1
1 597 . 4 1 1 A 46 46 LYS C C 46 179.579 178.742 0.837 1
1 598 . 4 1 1 A 46 46 LYS CA C 46 58.940 59.359 -0.419 1
1 599 . 4 1 1 A 46 46 LYS CB C 46 32.750 32.346 0.404 1
1 603 . 4 1 1 A 46 46 LYS N N 46 120.645 119.681 0.964 1
1 604 . 4 1 1 A 47 47 LEU H H 47 8.005 7.800 0.205 1
1 605 . 4 1 1 A 47 47 LEU HA H 47 4.059 4.051 0.008 1
1 615 . 4 1 1 A 47 47 LEU C C 47 177.436 178.185 -0.749 1
1 616 . 4 1 1 A 47 47 LEU CA C 47 58.090 57.965 0.125 1
1 617 . 4 1 1 A 47 47 LEU CB C 47 41.150 41.394 -0.244 1
1 621 . 4 1 1 A 47 47 LEU N N 47 122.201 121.283 0.918 1
1 622 . 4 1 1 A 48 48 ALA H H 48 8.239 8.028 0.211 1
1 623 . 4 1 1 A 48 48 ALA HA H 48 3.733 3.628 0.105 1
1 627 . 4 1 1 A 48 48 ALA C C 48 179.347 179.182 0.165 1
1 628 . 4 1 1 A 48 48 ALA CA C 48 55.420 54.910 0.510 1
1 629 . 4 1 1 A 48 48 ALA CB C 48 18.240 17.969 0.271 1
1 630 . 4 1 1 A 48 48 ALA N N 48 121.483 120.638 0.845 1
1 631 . 4 1 1 A 49 49 ASP H H 49 8.001 7.968 0.033 1
1 632 . 4 1 1 A 49 49 ASP HA H 49 4.308 4.327 -0.019 1
1 635 . 4 1 1 A 49 49 ASP C C 49 179.106 178.248 0.858 1
1 636 . 4 1 1 A 49 49 ASP CA C 49 57.350 57.244 0.106 1
1 637 . 4 1 1 A 49 49 ASP CB C 49 41.250 41.613 -0.363 1
1 638 . 4 1 1 A 49 49 ASP N N 49 117.231 119.051 -1.820 1
1 639 . 4 1 1 A 50 50 PHE H H 50 8.265 8.153 0.112 1
1 640 . 4 1 1 A 50 50 PHE HA H 50 4.101 4.023 0.078 1
1 647 . 4 1 1 A 50 50 PHE C C 50 179.048 176.747 2.301 1
1 648 . 4 1 1 A 50 50 PHE CA C 50 62.590 61.296 1.294 1
1 649 . 4 1 1 A 50 50 PHE CB C 50 39.810 39.378 0.432 1
1 651 . 4 1 1 A 50 50 PHE N N 50 122.379 120.421 1.958 1
1 652 . 4 1 1 A 51 51 LEU H H 51 8.653 8.026 0.627 1
1 653 . 4 1 1 A 51 51 LEU HA H 51 3.789 3.882 -0.093 1
1 663 . 4 1 1 A 51 51 LEU C C 51 180.400 178.396 2.004 1
1 664 . 4 1 1 A 51 51 LEU CA C 51 58.140 57.169 0.971 1
1 665 . 4 1 1 A 51 51 LEU CB C 51 38.770 41.307 -2.537 1
1 669 . 4 1 1 A 51 51 LEU N N 51 120.277 119.446 0.831 1
1 670 . 4 1 1 A 52 52 SER H H 52 8.332 7.839 0.493 1
1 671 . 4 1 1 A 52 52 SER HA H 52 4.160 4.395 -0.235 1
1 674 . 4 1 1 A 52 52 SER C C 52 176.220 176.252 -0.032 1
1 675 . 4 1 1 A 52 52 SER CA C 52 61.840 60.906 0.934 1
1 676 . 4 1 1 A 52 52 SER CB C 52 62.850 63.173 -0.323 1
1 677 . 4 1 1 A 52 52 SER N N 52 115.630 114.505 1.125 1
1 678 . 4 1 1 A 53 53 GLN H H 53 7.405 7.780 -0.375 1
1 679 . 4 1 1 A 53 53 GLN HA H 53 4.092 3.997 0.095 1
1 686 . 4 1 1 A 53 53 GLN C C 53 176.046 176.414 -0.368 1
1 687 . 4 1 1 A 53 53 GLN CA C 53 56.560 58.292 -1.732 1
1 688 . 4 1 1 A 53 53 GLN CB C 53 28.580 28.556 0.024 1
1 690 . 4 1 1 A 53 53 GLN N N 53 119.056 120.513 -1.457 1
1 692 . 4 1 1 A 54 54 HIS H H 54 7.311 7.652 -0.341 1
1 693 . 4 1 1 A 54 54 HIS HA H 54 4.754 4.688 0.066 1
1 696 . 4 1 1 A 54 54 HIS C C 54 175.467 175.622 -0.155 1
1 697 . 4 1 1 A 54 54 HIS CA C 54 55.562 56.588 -1.026 1
1 698 . 4 1 1 A 54 54 HIS CB C 54 29.650 32.007 -2.357 1
1 699 . 4 1 1 A 54 54 HIS N N 54 117.800 114.975 2.825 1
1 700 . 4 1 1 A 55 55 LYS H H 55 7.646 7.805 -0.159 1
1 701 . 4 1 1 A 55 55 LYS HA H 55 4.296 4.191 0.105 1
1 710 . 4 1 1 A 55 55 LYS C C 55 176.741 175.179 1.562 1
1 711 . 4 1 1 A 55 55 LYS CA C 55 58.710 58.748 -0.038 1
1 712 . 4 1 1 A 55 55 LYS CB C 55 32.370 30.418 1.952 1
1 716 . 4 1 1 A 55 55 LYS N N 55 119.903 116.370 3.533 1
1 717 . 4 1 1 A 56 56 ASP H H 56 8.853 8.046 0.807 1
1 718 . 4 1 1 A 56 56 ASP HA H 56 4.655 4.788 -0.133 1
1 721 . 4 1 1 A 56 56 ASP C C 56 175.158 174.627 0.531 1
1 722 . 4 1 1 A 56 56 ASP CA C 56 53.930 53.264 0.666 1
1 723 . 4 1 1 A 56 56 ASP CB C 56 40.220 39.438 0.782 1
1 724 . 4 1 1 A 56 56 ASP N N 56 116.429 120.574 -4.145 1
1 725 . 4 1 1 A 57 57 LYS H H 57 7.655 8.173 -0.518 1
1 726 . 4 1 1 A 57 57 LYS HA H 57 4.701 5.092 -0.391 1
1 735 . 4 1 1 A 57 57 LYS C C 57 175.236 174.511 0.725 1
1 736 . 4 1 1 A 57 57 LYS CA C 57 53.830 54.861 -1.031 1
1 737 . 4 1 1 A 57 57 LYS CB C 57 35.550 36.257 -0.707 1
1 741 . 4 1 1 A 57 57 LYS N N 57 119.510 121.030 -1.520 1
1 742 . 4 1 1 A 58 58 LYS H H 58 8.265 8.544 -0.279 1
1 743 . 4 1 1 A 58 58 LYS HA H 58 4.745 4.842 -0.097 1
1 752 . 4 1 1 A 58 58 LYS C C 58 175.651 175.441 0.210 1
1 753 . 4 1 1 A 58 58 LYS CA C 58 56.870 56.203 0.667 1
1 754 . 4 1 1 A 58 58 LYS CB C 58 33.250 33.509 -0.259 1
1 758 . 4 1 1 A 58 58 LYS N N 58 120.091 123.381 -3.290 1
1 759 . 4 1 1 A 59 59 VAL H H 59 9.233 9.329 -0.096 1
1 760 . 4 1 1 A 59 59 VAL HA H 59 5.231 5.448 -0.217 1
1 768 . 4 1 1 A 59 59 VAL C C 59 173.556 174.188 -0.632 1
1 769 . 4 1 1 A 59 59 VAL CA C 59 60.930 61.074 -0.144 1
1 770 . 4 1 1 A 59 59 VAL CB C 59 34.300 34.925 -0.625 1
1 772 . 4 1 1 A 59 59 VAL N N 59 127.047 127.096 -0.049 1
1 773 . 4 1 1 A 60 60 LEU H H 60 9.228 9.043 0.185 1
1 774 . 4 1 1 A 60 60 LEU HA H 60 4.815 5.182 -0.367 1
1 784 . 4 1 1 A 60 60 LEU C C 60 173.421 175.034 -1.613 1
1 785 . 4 1 1 A 60 60 LEU CA C 60 52.586 53.472 -0.886 1
1 786 . 4 1 1 A 60 60 LEU CB C 60 45.660 44.911 0.749 1
1 790 . 4 1 1 A 60 60 LEU N N 60 129.197 129.949 -0.752 1
1 791 . 4 1 1 A 61 61 LEU H H 61 9.055 9.119 -0.064 1
1 792 . 4 1 1 A 61 61 LEU HA H 61 5.713 4.848 0.865 1
1 802 . 4 1 1 A 61 61 LEU C C 61 176.683 176.658 0.025 1
1 803 . 4 1 1 A 61 61 LEU CA C 61 52.760 54.064 -1.304 1
1 804 . 4 1 1 A 61 61 LEU CB C 61 43.220 41.131 2.089 1
1 808 . 4 1 1 A 61 61 LEU N N 61 125.903 129.301 -3.398 1
1 809 . 4 1 1 A 62 62 HIS H H 62 9.148 8.849 0.299 1
1 810 . 4 1 1 A 62 62 HIS HA H 62 5.440 5.289 0.151 1
1 816 . 4 1 1 A 62 62 HIS C C 62 172.301 173.860 -1.559 1
1 817 . 4 1 1 A 62 62 HIS CA C 62 54.580 54.346 0.234 1
1 818 . 4 1 1 A 62 62 HIS CB C 62 33.980 31.428 2.552 1
1 821 . 4 1 1 A 62 62 HIS N N 62 119.183 122.099 -2.916 1
1 823 . 4 1 1 A 63 63 CYS H H 63 9.389 8.144 1.245 1
1 824 . 4 1 1 A 63 63 CYS HA H 63 5.021 4.749 0.272 1
1 827 . 4 1 1 A 63 63 CYS C C 63 177.649 175.197 2.452 1
1 828 . 4 1 1 A 63 63 CYS CA C 63 56.460 57.306 -0.846 1
1 829 . 4 1 1 A 63 63 CYS CB C 63 29.400 30.884 -1.484 1
1 830 . 4 1 1 A 63 63 CYS N N 63 120.896 119.274 1.622 1
1 831 . 4 1 1 A 64 64 ARG H H 64 8.658 8.760 -0.102 1
1 832 . 4 1 1 A 64 64 ARG HA H 64 4.425 3.804 0.621 1
1 839 . 4 1 1 A 64 64 ARG C C 64 174.724 177.182 -2.458 1
1 840 . 4 1 1 A 64 64 ARG CA C 64 59.000 58.499 0.501 1
1 841 . 4 1 1 A 64 64 ARG CB C 64 30.820 30.049 0.771 1
1 844 . 4 1 1 A 64 64 ARG N N 64 130.651 126.694 3.957 1
1 845 . 4 1 1 A 65 65 ALA H H 65 8.166 7.406 0.760 1
1 846 . 4 1 1 A 65 65 ALA HA H 65 5.399 4.567 0.832 1
1 850 . 4 1 1 A 65 65 ALA C C 65 177.909 177.343 0.566 1
1 851 . 4 1 1 A 65 65 ALA CA C 65 52.020 52.944 -0.924 1
1 852 . 4 1 1 A 65 65 ALA CB C 65 20.270 21.764 -1.494 1
1 853 . 4 1 1 A 65 65 ALA N N 65 118.548 118.573 -0.025 1
1 854 . 4 1 1 A 66 66 GLY H H 66 9.300 7.411 1.889 1
1 855 . 4 1 1 A 66 66 GLY HA2 H 66 4.872 4.066 0.806 1
1 856 . 4 1 1 A 66 66 GLY HA3 H 66 4.450 4.081 0.369 1
1 857 . 4 1 1 A 66 66 GLY C C 66 176.761 174.942 1.819 1
1 858 . 4 1 1 A 66 66 GLY CA C 66 46.630 45.561 1.069 1
1 859 . 4 1 1 A 66 66 GLY N N 66 114.644 106.080 8.564 1
1 860 . 4 1 1 A 67 67 ARG H H 67 8.118 8.125 -0.007 1
1 861 . 4 1 1 A 67 67 ARG HA H 67 4.141 4.028 0.113 1
1 871 . 4 1 1 A 67 67 ARG C C 67 178.691 178.500 0.191 1
1 872 . 4 1 1 A 67 67 ARG CA C 67 60.930 58.731 2.199 1
1 873 . 4 1 1 A 67 67 ARG CB C 67 31.240 29.880 1.360 1
1 876 . 4 1 1 A 67 67 ARG N N 67 121.922 122.285 -0.363 1
1 879 . 4 1 1 A 68 68 ARG H H 68 9.366 7.657 1.709 1
1 880 . 4 1 1 A 68 68 ARG HA H 68 4.282 3.988 0.294 1
1 887 . 4 1 1 A 68 68 ARG C C 68 178.681 179.031 -0.350 1
1 888 . 4 1 1 A 68 68 ARG CA C 68 59.410 59.169 0.241 1
1 889 . 4 1 1 A 68 68 ARG CB C 68 30.760 29.802 0.958 1
1 892 . 4 1 1 A 68 68 ARG N N 68 123.821 118.985 4.836 1
1 893 . 4 1 1 A 69 69 ALA H H 69 10.112 8.003 2.109 1
1 894 . 4 1 1 A 69 69 ALA HA H 69 3.800 4.085 -0.285 1
1 898 . 4 1 1 A 69 69 ALA C C 69 178.334 179.814 -1.480 1
1 899 . 4 1 1 A 69 69 ALA CA C 69 55.960 55.221 0.739 1
1 900 . 4 1 1 A 69 69 ALA CB C 69 17.730 18.787 -1.057 1
1 901 . 4 1 1 A 69 69 ALA N N 69 125.465 122.099 3.366 1
1 902 . 4 1 1 A 70 70 LEU H H 70 7.746 7.844 -0.098 1
1 903 . 4 1 1 A 70 70 LEU HA H 70 3.340 3.251 0.089 1
1 913 . 4 1 1 A 70 70 LEU C C 70 177.996 177.733 0.263 1
1 914 . 4 1 1 A 70 70 LEU CA C 70 57.950 57.626 0.324 1
1 915 . 4 1 1 A 70 70 LEU CB C 70 40.720 41.572 -0.852 1
1 919 . 4 1 1 A 70 70 LEU N N 70 118.427 119.492 -1.065 1
1 920 . 4 1 1 A 71 71 ASP H H 71 7.662 8.347 -0.685 1
1 921 . 4 1 1 A 71 71 ASP HA H 71 4.236 4.140 0.096 1
1 924 . 4 1 1 A 71 71 ASP C C 71 179.560 177.994 1.566 1
1 925 . 4 1 1 A 71 71 ASP CA C 71 57.880 57.806 0.074 1
1 926 . 4 1 1 A 71 71 ASP CB C 71 40.340 41.766 -1.426 1
1 927 . 4 1 1 A 71 71 ASP N N 71 120.180 118.717 1.463 1
1 928 . 4 1 1 A 72 72 ALA H H 72 8.796 7.953 0.843 1
1 929 . 4 1 1 A 72 72 ALA HA H 72 4.101 3.989 0.112 1
1 933 . 4 1 1 A 72 72 ALA C C 72 179.203 179.722 -0.519 1
1 934 . 4 1 1 A 72 72 ALA CA C 72 54.670 55.129 -0.459 1
1 935 . 4 1 1 A 72 72 ALA CB C 72 18.490 18.185 0.305 1
1 936 . 4 1 1 A 72 72 ALA N N 72 122.299 120.674 1.625 1
1 937 . 4 1 1 A 73 73 ALA H H 73 8.672 7.834 0.838 1
1 938 . 4 1 1 A 73 73 ALA HA H 73 3.758 4.137 -0.379 1
1 942 . 4 1 1 A 73 73 ALA C C 73 179.251 179.683 -0.432 1
1 943 . 4 1 1 A 73 73 ALA CA C 73 55.950 55.071 0.879 1
1 944 . 4 1 1 A 73 73 ALA CB C 73 17.660 17.857 -0.197 1
1 945 . 4 1 1 A 73 73 ALA N N 73 121.294 119.777 1.517 1
1 946 . 4 1 1 A 74 74 LYS H H 74 8.914 8.154 0.760 1
1 947 . 4 1 1 A 74 74 LYS HA H 74 3.790 3.853 -0.063 1
1 956 . 4 1 1 A 74 74 LYS C C 74 179.589 179.331 0.258 1
1 957 . 4 1 1 A 74 74 LYS CA C 74 60.620 59.317 1.303 1
1 958 . 4 1 1 A 74 74 LYS CB C 74 32.330 32.244 0.086 1
1 962 . 4 1 1 A 74 74 LYS N N 74 119.404 118.016 1.388 1
1 963 . 4 1 1 A 75 75 SER H H 75 7.874 7.887 -0.013 1
1 964 . 4 1 1 A 75 75 SER HA H 75 4.272 4.092 0.180 1
1 967 . 4 1 1 A 75 75 SER C C 75 176.944 176.866 0.078 1
1 968 . 4 1 1 A 75 75 SER CA C 75 61.840 61.909 -0.069 1
1 969 . 4 1 1 A 75 75 SER CB C 75 62.990 62.721 0.269 1
1 970 . 4 1 1 A 75 75 SER N N 75 114.306 115.951 -1.645 1
1 971 . 4 1 1 A 76 76 MET H H 76 8.401 7.814 0.587 1
1 972 . 4 1 1 A 76 76 MET HA H 76 4.881 4.469 0.412 1
1 980 . 4 1 1 A 76 76 MET C C 76 179.811 178.828 0.983 1
1 981 . 4 1 1 A 76 76 MET CA C 76 56.060 58.109 -2.049 1
1 982 . 4 1 1 A 76 76 MET CB C 76 34.780 32.048 2.732 1
1 985 . 4 1 1 A 76 76 MET N N 76 119.510 119.740 -0.230 1
1 986 . 4 1 1 A 77 77 HIS H H 77 9.450 8.216 1.234 1
1 987 . 4 1 1 A 77 77 HIS HA H 77 5.148 4.678 0.470 1
1 992 . 4 1 1 A 77 77 HIS C C 77 181.596 177.892 3.704 1
1 993 . 4 1 1 A 77 77 HIS CA C 77 59.550 59.433 0.117 1
1 994 . 4 1 1 A 77 77 HIS CB C 77 30.720 29.587 1.133 1
1 997 . 4 1 1 A 77 77 HIS N N 77 123.245 117.896 5.349 1
1 998 . 4 1 1 A 78 78 GLU H H 78 7.832 8.017 -0.185 1
1 999 . 4 1 1 A 78 78 GLU HA H 78 4.159 4.089 0.070 1
1 1004 . 4 1 1 A 78 78 GLU C C 78 177.909 179.049 -1.140 1
1 1005 . 4 1 1 A 78 78 GLU CA C 78 59.110 59.145 -0.035 1
1 1006 . 4 1 1 A 78 78 GLU CB C 78 29.380 29.204 0.176 1
1 1008 . 4 1 1 A 78 78 GLU N N 78 121.124 120.267 0.857 1
1 1009 . 4 1 1 A 79 79 LEU H H 79 7.161 7.398 -0.237 1
1 1010 . 4 1 1 A 79 79 LEU HA H 79 4.360 4.174 0.186 1
1 1020 . 4 1 1 A 79 79 LEU C C 79 176.934 176.759 0.175 1
1 1021 . 4 1 1 A 79 79 LEU CA C 79 54.820 55.864 -1.044 1
1 1022 . 4 1 1 A 79 79 LEU CB C 79 43.300 43.004 0.296 1
1 1026 . 4 1 1 A 79 79 LEU N N 79 116.655 118.203 -1.548 1
1 1027 . 4 1 1 A 80 80 GLY H H 80 7.545 7.524 0.021 1
1 1028 . 4 1 1 A 80 80 GLY HA2 H 80 4.101 3.843 0.258 1
1 1029 . 4 1 1 A 80 80 GLY HA3 H 80 3.580 3.942 -0.362 1
1 1030 . 4 1 1 A 80 80 GLY C C 80 174.116 174.134 -0.018 1
1 1031 . 4 1 1 A 80 80 GLY CA C 80 45.010 44.791 0.219 1
1 1032 . 4 1 1 A 80 80 GLY N N 80 105.216 105.465 -0.249 1
1 1033 . 4 1 1 A 81 81 TYR H H 81 7.519 7.802 -0.283 1
1 1034 . 4 1 1 A 81 81 TYR HA H 81 4.727 4.506 0.221 1
1 1041 . 4 1 1 A 81 81 TYR C C 81 174.377 174.791 -0.414 1
1 1042 . 4 1 1 A 81 81 TYR CA C 81 56.960 58.037 -1.077 1
1 1043 . 4 1 1 A 81 81 TYR CB C 81 40.310 39.471 0.839 1
1 1046 . 4 1 1 A 81 81 TYR N N 81 119.660 119.788 -0.128 1
1 1047 . 4 1 1 A 82 82 THR H H 82 8.786 8.763 0.023 1
1 1048 . 4 1 1 A 82 82 THR HA H 82 3.390 3.611 -0.221 1
1 1053 . 4 1 1 A 82 82 THR CA C 82 57.030 58.246 -1.216 1
1 1054 . 4 1 1 A 82 82 THR CB C 82 68.740 68.736 0.004 1
1 1056 . 4 1 1 A 82 82 THR N N 82 105.368 113.776 -8.408 1
1 1057 . 4 1 1 A 83 83 PRO HA H 83 5.003 4.707 0.296 1
1 1064 . 4 1 1 A 83 83 PRO C C 83 175.699 176.535 -0.836 1
1 1065 . 4 1 1 A 83 83 PRO CA C 83 63.140 62.539 0.601 1
1 1066 . 4 1 1 A 83 83 PRO CB C 83 31.570 32.295 -0.725 1
1 1069 . 4 1 1 A 84 84 TYR H H 84 9.497 8.606 0.891 1
1 1070 . 4 1 1 A 84 84 TYR HA H 84 5.482 5.183 0.299 1
1 1077 . 4 1 1 A 84 84 TYR C C 84 175.506 175.371 0.135 1
1 1078 . 4 1 1 A 84 84 TYR CA C 84 57.570 58.011 -0.441 1
1 1079 . 4 1 1 A 84 84 TYR CB C 84 40.500 39.388 1.112 1
1 1082 . 4 1 1 A 84 84 TYR N N 84 119.880 120.750 -0.870 1
1 1083 . 4 1 1 A 85 85 TYR H H 85 8.570 8.550 0.020 1
1 1084 . 4 1 1 A 85 85 TYR HA H 85 5.730 5.414 0.316 1
1 1089 . 4 1 1 A 85 85 TYR C C 85 172.215 172.446 -0.231 1
1 1090 . 4 1 1 A 85 85 TYR CA C 85 55.240 55.867 -0.627 1
1 1091 . 4 1 1 A 85 85 TYR CB C 85 40.830 41.663 -0.833 1
1 1093 . 4 1 1 A 85 85 TYR N N 85 116.764 118.305 -1.541 1
1 1094 . 4 1 1 A 86 86 LEU H H 86 8.196 9.203 -1.007 1
1 1095 . 4 1 1 A 86 86 LEU HA H 86 4.881 5.222 -0.341 1
1 1105 . 4 1 1 A 86 86 LEU C C 86 177.552 174.906 2.646 1
1 1106 . 4 1 1 A 86 86 LEU CA C 86 53.376 53.835 -0.459 1
1 1107 . 4 1 1 A 86 86 LEU CB C 86 44.360 44.344 0.016 1
1 1111 . 4 1 1 A 86 86 LEU N N 86 121.589 124.577 -2.988 1
1 1112 . 4 1 1 A 87 87 GLU H H 87 9.146 8.707 0.439 1
1 1113 . 4 1 1 A 87 87 GLU HA H 87 4.797 4.960 -0.163 1
1 1118 . 4 1 1 A 87 87 GLU C C 87 174.965 176.856 -1.891 1
1 1119 . 4 1 1 A 87 87 GLU CA C 87 55.405 55.832 -0.427 1
1 1120 . 4 1 1 A 87 87 GLU CB C 87 30.010 30.370 -0.360 1
1 1122 . 4 1 1 A 87 87 GLU N N 87 128.779 126.923 1.856 1
1 1123 . 4 1 1 A 88 88 GLY H H 88 7.349 8.334 -0.985 1
1 1124 . 4 1 1 A 88 88 GLY HA2 H 88 4.110 4.225 -0.115 1
1 1125 . 4 1 1 A 88 88 GLY HA3 H 88 4.023 4.320 -0.297 1
1 1126 . 4 1 1 A 88 88 GLY C C 88 170.593 171.983 -1.390 1
1 1127 . 4 1 1 A 88 88 GLY CA C 88 44.970 45.953 -0.983 1
1 1128 . 4 1 1 A 88 88 GLY N N 88 112.564 111.000 1.564 1
1 1129 . 4 1 1 A 89 89 ASN H H 89 8.756 8.517 0.239 1
1 1130 . 4 1 1 A 89 89 ASN HA H 89 5.722 5.147 0.575 1
1 1135 . 4 1 1 A 89 89 ASN C C 89 176.336 176.011 0.325 1
1 1136 . 4 1 1 A 89 89 ASN CA C 89 52.210 53.439 -1.229 1
1 1137 . 4 1 1 A 89 89 ASN CB C 89 40.950 40.072 0.878 1
1 1138 . 4 1 1 A 89 89 ASN N N 89 121.363 118.452 2.911 1
1 1140 . 4 1 1 A 90 90 VAL H H 90 8.928 8.255 0.673 1
1 1141 . 4 1 1 A 90 90 VAL HA H 90 4.425 2.033 2.392 1
1 1149 . 4 1 1 A 90 90 VAL C C 90 175.660 176.396 -0.736 1
1 1150 . 4 1 1 A 90 90 VAL CA C 90 58.930 64.086 -5.156 1
1 1151 . 4 1 1 A 90 90 VAL CB C 90 30.860 31.376 -0.516 1
1 1154 . 4 1 1 A 90 90 VAL N N 90 128.990 126.080 2.910 1
1 1155 . 4 1 1 A 91 91 TYR H H 91 8.330 7.209 1.121 1
1 1156 . 4 1 1 A 91 91 TYR HA H 91 4.016 4.111 -0.095 1
1 1163 . 4 1 1 A 91 91 TYR C C 91 175.718 177.226 -1.508 1
1 1164 . 4 1 1 A 91 91 TYR CA C 91 61.700 61.302 0.398 1
1 1165 . 4 1 1 A 91 91 TYR CB C 91 36.580 37.545 -0.965 1
1 1168 . 4 1 1 A 91 91 TYR N N 91 119.510 119.686 -0.176 1
1 1169 . 4 1 1 A 92 92 ASP H H 92 8.654 7.782 0.872 1
1 1170 . 4 1 1 A 92 92 ASP HA H 92 5.146 4.670 0.476 1
1 1173 . 4 1 1 A 92 92 ASP C C 92 177.224 178.020 -0.796 1
1 1174 . 4 1 1 A 92 92 ASP CA C 92 54.290 55.532 -1.242 1
1 1175 . 4 1 1 A 92 92 ASP CB C 92 42.670 40.917 1.753 1
1 1176 . 4 1 1 A 92 92 ASP N N 92 117.541 119.996 -2.455 1
1 1177 . 4 1 1 A 93 93 PHE H H 93 7.673 7.105 0.568 1
1 1178 . 4 1 1 A 93 93 PHE HA H 93 4.688 4.356 0.332 1
1 1186 . 4 1 1 A 93 93 PHE C C 93 179.270 178.377 0.893 1
1 1187 . 4 1 1 A 93 93 PHE CA C 93 60.340 61.638 -1.298 1
1 1188 . 4 1 1 A 93 93 PHE CB C 93 36.010 38.694 -2.684 1
1 1192 . 4 1 1 A 93 93 PHE N N 93 123.205 117.677 5.528 1
1 1193 . 4 1 1 A 94 94 GLU H H 94 9.164 8.625 0.539 1
1 1194 . 4 1 1 A 94 94 GLU HA H 94 4.676 4.514 0.162 1
1 1199 . 4 1 1 A 94 94 GLU C C 94 180.805 179.177 1.628 1
1 1200 . 4 1 1 A 94 94 GLU CA C 94 59.240 60.138 -0.898 1
1 1201 . 4 1 1 A 94 94 GLU CB C 94 29.640 29.319 0.321 1
1 1203 . 4 1 1 A 94 94 GLU N N 94 118.657 119.675 -1.018 1
1 1204 . 4 1 1 A 95 95 LYS H H 95 8.005 8.393 -0.388 1
1 1205 . 4 1 1 A 95 95 LYS HA H 95 4.103 4.217 -0.114 1
1 1214 . 4 1 1 A 95 95 LYS C C 95 177.948 178.129 -0.181 1
1 1215 . 4 1 1 A 95 95 LYS CA C 95 58.680 59.004 -0.324 1
1 1216 . 4 1 1 A 95 95 LYS CB C 95 31.690 32.092 -0.402 1
1 1220 . 4 1 1 A 95 95 LYS N N 95 121.494 118.782 2.712 1
1 1221 . 4 1 1 A 96 96 TYR H H 96 7.710 7.929 -0.219 1
1 1222 . 4 1 1 A 96 96 TYR HA H 96 4.332 4.588 -0.256 1
1 1229 . 4 1 1 A 96 96 TYR C C 96 174.550 175.661 -1.111 1
1 1230 . 4 1 1 A 96 96 TYR CA C 96 59.370 58.427 0.943 1
1 1231 . 4 1 1 A 96 96 TYR CB C 96 38.340 38.987 -0.647 1
1 1234 . 4 1 1 A 96 96 TYR N N 96 117.421 118.702 -1.281 1
1 1235 . 4 1 1 A 97 97 GLY H H 97 7.796 7.852 -0.056 1
1 1236 . 4 1 1 A 97 97 GLY HA2 H 97 3.966 3.972 -0.006 1
1 1237 . 4 1 1 A 97 97 GLY HA3 H 97 3.580 4.082 -0.502 1
1 1238 . 4 1 1 A 97 97 GLY C C 97 173.662 174.539 -0.877 1
1 1239 . 4 1 1 A 97 97 GLY CA C 97 45.160 45.086 0.074 1
1 1240 . 4 1 1 A 97 97 GLY N N 97 105.806 106.403 -0.597 1
1 1241 . 4 1 1 A 98 98 PHE H H 98 7.323 7.936 -0.613 1
1 1242 . 4 1 1 A 98 98 PHE HA H 98 4.644 4.512 0.132 1
1 1250 . 4 1 1 A 98 98 PHE C C 98 173.353 175.321 -1.968 1
1 1251 . 4 1 1 A 98 98 PHE CA C 98 57.490 58.696 -1.206 1
1 1252 . 4 1 1 A 98 98 PHE CB C 98 38.550 39.538 -0.988 1
1 1256 . 4 1 1 A 98 98 PHE N N 98 120.718 119.143 1.575 1
1 1257 . 4 1 1 A 99 99 ARG H H 99 7.903 8.713 -0.810 1
1 1258 . 4 1 1 A 99 99 ARG HA H 99 4.283 4.345 -0.062 1
1 1265 . 4 1 1 A 99 99 ARG C C 99 175.680 175.160 0.520 1
1 1266 . 4 1 1 A 99 99 ARG CA C 99 56.320 57.096 -0.776 1
1 1267 . 4 1 1 A 99 99 ARG CB C 99 30.610 31.126 -0.516 1
1 1270 . 4 1 1 A 99 99 ARG N N 99 122.817 124.844 -2.027 1
1 1271 . 4 1 1 A 100 100 MET H H 100 8.133 8.912 -0.779 1
1 1272 . 4 1 1 A 100 100 MET HA H 100 4.843 4.955 -0.112 1
1 1280 . 4 1 1 A 100 100 MET C C 100 175.255 174.174 1.081 1
1 1281 . 4 1 1 A 100 100 MET CA C 100 52.343 54.396 -2.053 1
1 1282 . 4 1 1 A 100 100 MET CB C 100 34.410 37.187 -2.777 1
1 1285 . 4 1 1 A 100 100 MET N N 100 121.483 125.279 -3.796 1
1 1286 . 4 1 1 A 101 101 VAL H H 101 8.471 8.634 -0.163 1
1 1287 . 4 1 1 A 101 101 VAL HA H 101 3.890 4.586 -0.696 1
1 1295 . 4 1 1 A 101 101 VAL C C 101 175.351 175.190 0.161 1
1 1296 . 4 1 1 A 101 101 VAL CA C 101 61.500 61.092 0.408 1
1 1297 . 4 1 1 A 101 101 VAL CB C 101 31.730 32.343 -0.613 1
1 1300 . 4 1 1 A 101 101 VAL N N 101 119.940 122.111 -2.171 1
1 1301 . 4 1 1 A 102 102 TYR H H 102 8.612 8.949 -0.337 1
1 1302 . 4 1 1 A 102 102 TYR HA H 102 4.938 4.941 -0.003 1
1 1309 . 4 1 1 A 102 102 TYR C C 102 175.892 176.109 -0.217 1
1 1310 . 4 1 1 A 102 102 TYR CA C 102 57.140 57.775 -0.635 1
1 1311 . 4 1 1 A 102 102 TYR CB C 102 40.990 40.488 0.502 1
1 1314 . 4 1 1 A 102 102 TYR N N 102 126.390 126.643 -0.253 1
1 1315 . 4 1 1 A 103 103 ASP H H 103 8.071 9.064 -0.993 1
1 1316 . 4 1 1 A 103 103 ASP HA H 103 4.621 4.375 0.246 1
1 1319 . 4 1 1 A 103 103 ASP C C 103 176.220 175.441 0.779 1
1 1320 . 4 1 1 A 103 103 ASP CA C 103 55.050 55.493 -0.443 1
1 1321 . 4 1 1 A 103 103 ASP CB C 103 40.220 40.668 -0.448 1
1 1322 . 4 1 1 A 103 103 ASP N N 103 120.738 122.822 -2.084 1
1 1323 . 4 1 1 A 104 104 ASP H H 104 8.642 7.949 0.693 1
1 1324 . 4 1 1 A 104 104 ASP HA H 104 4.730 4.659 0.071 1
1 1327 . 4 1 1 A 104 104 ASP C C 104 176.095 176.358 -0.263 1
1 1328 . 4 1 1 A 104 104 ASP CA C 104 53.510 52.718 0.792 1
1 1329 . 4 1 1 A 104 104 ASP CB C 104 41.060 39.028 2.032 1
1 1330 . 4 1 1 A 104 104 ASP N N 104 121.582 119.376 2.206 1
1 1331 . 4 1 1 A 105 105 THR H H 105 8.119 8.030 0.089 1
1 1332 . 4 1 1 A 105 105 THR HA H 105 4.389 4.321 0.068 1
1 1337 . 4 1 1 A 105 105 THR C C 105 173.508 174.913 -1.405 1
1 1338 . 4 1 1 A 105 105 THR CA C 105 61.580 64.053 -2.473 1
1 1339 . 4 1 1 A 105 105 THR CB C 105 69.840 68.925 0.915 1
1 1341 . 4 1 1 A 105 105 THR N N 105 113.632 117.563 -3.931 1
1 1342 . 4 1 1 A 106 106 CYS H H 106 8.013 7.561 0.452 1
1 1343 . 4 1 1 A 106 106 CYS N N 106 129.098 118.893 10.205 1
1 1344 . 4 1 1 A 107 107 ASP HA H 107 4.606 5.045 -0.439 1
1 1347 . 4 1 1 A 107 107 ASP C C 107 176.075 175.256 0.819 1
1 1348 . 4 1 1 A 107 107 ASP CA C 107 54.790 53.672 1.118 1
1 1349 . 4 1 1 A 107 107 ASP CB C 107 40.990 42.036 -1.046 1
1 1350 . 4 1 1 A 108 108 LYS H H 108 8.216 8.650 -0.434 1
1 1351 . 4 1 1 A 108 108 LYS HA H 108 4.326 4.556 -0.230 1
1 1360 . 4 1 1 A 108 108 LYS C C 108 176.490 175.589 0.901 1
1 1361 . 4 1 1 A 108 108 LYS CA C 108 56.140 55.874 0.266 1
1 1362 . 4 1 1 A 108 108 LYS CB C 108 32.910 33.039 -0.129 1
1 1366 . 4 1 1 A 108 108 LYS N N 108 121.982 124.204 -2.222 1
1 1367 . 4 1 1 A 109 109 LYS H H 109 8.411 7.767 0.644 1
1 1368 . 4 1 1 A 109 109 LYS HA H 109 4.344 4.664 -0.320 1
1 1377 . 4 1 1 A 109 109 LYS C C 109 175.583 174.969 0.614 1
1 1378 . 4 1 1 A 109 109 LYS CA C 109 56.150 54.895 1.255 1
1 1379 . 4 1 1 A 109 109 LYS CB C 109 33.050 32.213 0.837 1
1 1383 . 4 1 1 A 109 109 LYS N N 109 122.966 116.951 6.015 1
1 14 . 5 1 1 A 2 2 LEU H H 2 8.858 8.111 0.747 1
1 15 . 5 1 1 A 2 2 LEU HA H 2 4.010 4.113 -0.103 1
1 25 . 5 1 1 A 2 2 LEU C C 2 179.512 178.552 0.960 1
1 26 . 5 1 1 A 2 2 LEU CA C 2 57.230 55.454 1.776 1
1 27 . 5 1 1 A 2 2 LEU CB C 2 41.500 40.871 0.629 1
1 31 . 5 1 1 A 2 2 LEU N N 2 124.589 123.340 1.249 1
1 32 . 5 1 1 A 3 3 GLU H H 3 9.299 7.901 1.398 1
1 33 . 5 1 1 A 3 3 GLU HA H 3 4.234 4.059 0.175 1
1 38 . 5 1 1 A 3 3 GLU C C 3 178.189 178.825 -0.636 1
1 39 . 5 1 1 A 3 3 GLU CA C 3 59.930 60.218 -0.288 1
1 40 . 5 1 1 A 3 3 GLU CB C 3 28.810 29.299 -0.489 1
1 42 . 5 1 1 A 3 3 GLU N N 3 118.833 119.603 -0.770 1
1 43 . 5 1 1 A 4 4 ASP H H 4 8.188 8.147 0.041 1
1 44 . 5 1 1 A 4 4 ASP HA H 4 4.524 4.441 0.083 1
1 47 . 5 1 1 A 4 4 ASP C C 4 176.722 177.563 -0.841 1
1 48 . 5 1 1 A 4 4 ASP CA C 4 56.240 56.537 -0.297 1
1 49 . 5 1 1 A 4 4 ASP CB C 4 39.910 40.729 -0.819 1
1 50 . 5 1 1 A 4 4 ASP N N 4 118.286 118.499 -0.213 1
1 51 . 5 1 1 A 5 5 TYR H H 5 8.336 7.993 0.343 1
1 52 . 5 1 1 A 5 5 TYR HA H 5 4.284 4.656 -0.372 1
1 59 . 5 1 1 A 5 5 TYR C C 5 172.456 175.458 -3.002 1
1 60 . 5 1 1 A 5 5 TYR CA C 5 58.770 58.491 0.279 1
1 61 . 5 1 1 A 5 5 TYR CB C 5 37.820 38.152 -0.332 1
1 64 . 5 1 1 A 5 5 TYR N N 5 119.641 115.982 3.659 1
1 65 . 5 1 1 A 6 6 ALA H H 6 6.748 7.044 -0.296 1
1 66 . 5 1 1 A 6 6 ALA HA H 6 3.470 3.399 0.071 1
1 70 . 5 1 1 A 6 6 ALA C C 6 178.122 176.190 1.932 1
1 71 . 5 1 1 A 6 6 ALA CA C 6 51.440 51.274 0.166 1
1 72 . 5 1 1 A 6 6 ALA CB C 6 19.600 18.864 0.736 1
1 73 . 5 1 1 A 6 6 ALA N N 6 122.727 123.471 -0.744 1
1 74 . 5 1 1 A 7 7 ILE H H 7 8.665 8.176 0.489 1
1 75 . 5 1 1 A 7 7 ILE HA H 7 4.303 4.715 -0.412 1
1 85 . 5 1 1 A 7 7 ILE C C 7 174.386 175.415 -1.029 1
1 86 . 5 1 1 A 7 7 ILE CA C 7 58.640 59.642 -1.002 1
1 87 . 5 1 1 A 7 7 ILE CB C 7 39.820 39.334 0.486 1
1 91 . 5 1 1 A 7 7 ILE N N 7 124.318 124.127 0.191 1
1 92 . 5 1 1 A 8 8 SER H H 8 8.884 8.881 0.003 1
1 93 . 5 1 1 A 8 8 SER HA H 8 4.881 4.510 0.371 1
1 96 . 5 1 1 A 8 8 SER C C 8 176.268 175.387 0.881 1
1 97 . 5 1 1 A 8 8 SER CA C 8 57.157 58.383 -1.226 1
1 98 . 5 1 1 A 8 8 SER CB C 8 64.390 64.278 0.112 1
1 99 . 5 1 1 A 8 8 SER N N 8 122.739 122.495 0.244 1
1 100 . 5 1 1 A 9 9 LEU H H 9 8.077 8.332 -0.255 1
1 101 . 5 1 1 A 9 9 LEU HA H 9 3.652 3.879 -0.227 1
1 111 . 5 1 1 A 9 9 LEU C C 9 175.322 178.024 -2.702 1
1 112 . 5 1 1 A 9 9 LEU CA C 9 57.190 58.359 -1.169 1
1 113 . 5 1 1 A 9 9 LEU CB C 9 42.290 41.320 0.970 1
1 117 . 5 1 1 A 9 9 LEU N N 9 126.321 127.827 -1.506 1
1 118 . 5 1 1 A 10 10 GLU H H 10 8.361 9.120 -0.759 1
1 119 . 5 1 1 A 10 10 GLU HA H 10 3.754 4.492 -0.738 1
1 124 . 5 1 1 A 10 10 GLU C C 10 176.452 177.219 -0.767 1
1 125 . 5 1 1 A 10 10 GLU CA C 10 58.470 57.417 1.053 1
1 126 . 5 1 1 A 10 10 GLU CB C 10 29.480 28.587 0.893 1
1 128 . 5 1 1 A 10 10 GLU N N 10 112.911 116.313 -3.402 1
1 129 . 5 1 1 A 11 11 GLU H H 11 7.284 7.926 -0.642 1
1 130 . 5 1 1 A 11 11 GLU HA H 11 4.531 4.576 -0.045 1
1 135 . 5 1 1 A 11 11 GLU C C 11 176.539 176.278 0.261 1
1 136 . 5 1 1 A 11 11 GLU CA C 11 55.240 55.954 -0.714 1
1 137 . 5 1 1 A 11 11 GLU CB C 11 32.160 31.170 0.990 1
1 139 . 5 1 1 A 11 11 GLU N N 11 114.276 116.543 -2.267 1
1 140 . 5 1 1 A 12 12 VAL H H 12 7.077 7.429 -0.352 1
1 141 . 5 1 1 A 12 12 VAL HA H 12 3.677 4.046 -0.369 1
1 149 . 5 1 1 A 12 12 VAL C C 12 173.900 174.703 -0.803 1
1 150 . 5 1 1 A 12 12 VAL CA C 12 62.510 61.352 1.158 1
1 151 . 5 1 1 A 12 12 VAL CB C 12 31.920 32.659 -0.739 1
1 154 . 5 1 1 A 12 12 VAL N N 12 121.932 121.007 0.925 1
1 155 . 5 1 1 A 13 13 ASN H H 13 7.996 8.877 -0.881 1
1 156 . 5 1 1 A 13 13 ASN HA H 13 4.840 5.366 -0.526 1
1 161 . 5 1 1 A 13 13 ASN C C 13 176.876 175.396 1.480 1
1 162 . 5 1 1 A 13 13 ASN CA C 13 52.168 51.971 0.197 1
1 163 . 5 1 1 A 13 13 ASN CB C 13 38.500 39.607 -1.107 1
1 164 . 5 1 1 A 13 13 ASN N N 13 121.232 124.595 -3.363 1
1 166 . 5 1 1 A 14 14 PHE H H 14 6.268 8.158 -1.890 1
1 167 . 5 1 1 A 14 14 PHE HA H 14 3.868 4.276 -0.408 1
1 175 . 5 1 1 A 14 14 PHE C C 14 176.423 177.979 -1.556 1
1 176 . 5 1 1 A 14 14 PHE CA C 14 62.520 60.793 1.727 1
1 177 . 5 1 1 A 14 14 PHE CB C 14 38.780 38.566 0.214 1
1 181 . 5 1 1 A 14 14 PHE N N 14 120.637 122.019 -1.382 1
1 182 . 5 1 1 A 15 15 ASN H H 15 8.184 8.642 -0.458 1
1 183 . 5 1 1 A 15 15 ASN HA H 15 4.602 4.470 0.132 1
1 188 . 5 1 1 A 15 15 ASN C C 15 175.738 177.531 -1.793 1
1 189 . 5 1 1 A 15 15 ASN CA C 15 55.240 55.579 -0.339 1
1 190 . 5 1 1 A 15 15 ASN CB C 15 38.270 37.015 1.255 1
1 191 . 5 1 1 A 15 15 ASN N N 15 113.599 116.105 -2.506 1
1 193 . 5 1 1 A 16 16 ASP H H 16 7.680 7.649 0.031 1
1 194 . 5 1 1 A 16 16 ASP HA H 16 4.450 4.209 0.241 1
1 197 . 5 1 1 A 16 16 ASP C C 16 174.589 175.370 -0.781 1
1 198 . 5 1 1 A 16 16 ASP CA C 16 54.860 55.676 -0.816 1
1 199 . 5 1 1 A 16 16 ASP CB C 16 41.140 41.024 0.116 1
1 200 . 5 1 1 A 16 16 ASP N N 16 117.808 119.116 -1.308 1
1 201 . 5 1 1 A 17 17 PHE H H 17 7.648 7.325 0.323 1
1 202 . 5 1 1 A 17 17 PHE HA H 17 4.788 5.163 -0.375 1
1 210 . 5 1 1 A 17 17 PHE C C 17 175.516 175.424 0.092 1
1 211 . 5 1 1 A 17 17 PHE CA C 17 56.790 56.699 0.091 1
1 212 . 5 1 1 A 17 17 PHE CB C 17 44.090 42.368 1.722 1
1 216 . 5 1 1 A 17 17 PHE N N 17 116.207 115.833 0.374 1
1 217 . 5 1 1 A 18 18 ILE H H 18 8.674 9.074 -0.400 1
1 218 . 5 1 1 A 18 18 ILE HA H 18 4.335 4.489 -0.154 1
1 228 . 5 1 1 A 18 18 ILE C C 18 175.612 175.642 -0.030 1
1 229 . 5 1 1 A 18 18 ILE CA C 18 60.930 61.497 -0.567 1
1 230 . 5 1 1 A 18 18 ILE CB C 18 37.620 37.672 -0.052 1
1 234 . 5 1 1 A 18 18 ILE N N 18 121.498 123.363 -1.865 1
1 235 . 5 1 1 A 19 19 VAL H H 19 9.009 8.417 0.592 1
1 236 . 5 1 1 A 19 19 VAL HA H 19 4.760 4.771 -0.011 1
1 244 . 5 1 1 A 19 19 VAL C C 19 175.622 175.481 0.141 1
1 245 . 5 1 1 A 19 19 VAL CA C 19 62.974 61.684 1.290 1
1 246 . 5 1 1 A 19 19 VAL CB C 19 32.770 32.557 0.213 1
1 249 . 5 1 1 A 19 19 VAL N N 19 129.378 128.643 0.735 1
1 250 . 5 1 1 A 20 20 VAL H H 20 9.606 9.091 0.515 1
1 251 . 5 1 1 A 20 20 VAL HA H 20 4.581 4.484 0.097 1
1 259 . 5 1 1 A 20 20 VAL C C 20 172.234 174.377 -2.143 1
1 260 . 5 1 1 A 20 20 VAL CA C 20 60.660 60.720 -0.060 1
1 261 . 5 1 1 A 20 20 VAL CB C 20 33.910 34.341 -0.431 1
1 264 . 5 1 1 A 20 20 VAL N N 20 131.965 127.236 4.729 1
1 265 . 5 1 1 A 21 21 ASP H H 21 8.367 8.839 -0.472 1
1 266 . 5 1 1 A 21 21 ASP HA H 21 4.105 4.348 -0.243 1
1 269 . 5 1 1 A 21 21 ASP C C 21 176.182 175.333 0.849 1
1 270 . 5 1 1 A 21 21 ASP CA C 21 50.850 53.087 -2.237 1
1 271 . 5 1 1 A 21 21 ASP CB C 21 43.460 40.979 2.481 1
1 272 . 5 1 1 A 21 21 ASP N N 21 129.516 127.611 1.905 1
1 273 . 5 1 1 A 22 22 VAL H H 22 8.095 8.026 0.069 1
1 274 . 5 1 1 A 22 22 VAL HA H 22 5.720 4.769 0.951 1
1 282 . 5 1 1 A 22 22 VAL C C 22 178.006 174.571 3.435 1
1 283 . 5 1 1 A 22 22 VAL CA C 22 58.990 61.214 -2.224 1
1 284 . 5 1 1 A 22 22 VAL CB C 22 30.150 31.346 -1.196 1
1 287 . 5 1 1 A 22 22 VAL N N 22 114.833 120.245 -5.412 1
1 288 . 5 1 1 A 23 23 ARG H H 23 7.467 8.225 -0.758 1
1 289 . 5 1 1 A 23 23 ARG HA H 23 4.358 4.555 -0.197 1
1 299 . 5 1 1 A 23 23 ARG C C 23 172.157 176.041 -3.884 1
1 300 . 5 1 1 A 23 23 ARG CA C 23 56.190 56.518 -0.328 1
1 301 . 5 1 1 A 23 23 ARG CB C 23 31.230 32.726 -1.496 1
1 304 . 5 1 1 A 23 23 ARG N N 23 120.418 124.971 -4.553 1
1 307 . 5 1 1 A 24 24 GLU H H 24 7.372 7.368 0.004 1
1 308 . 5 1 1 A 24 24 GLU HA H 24 4.454 4.547 -0.093 1
1 313 . 5 1 1 A 24 24 GLU C C 24 178.807 176.173 2.634 1
1 314 . 5 1 1 A 24 24 GLU CA C 24 53.870 55.762 -1.892 1
1 315 . 5 1 1 A 24 24 GLU CB C 24 31.610 33.354 -1.744 1
1 317 . 5 1 1 A 24 24 GLU N N 24 111.001 115.412 -4.411 1
1 318 . 5 1 1 A 25 25 LEU H H 25 8.842 8.622 0.220 1
1 319 . 5 1 1 A 25 25 LEU HA H 25 3.922 3.949 -0.027 1
1 329 . 5 1 1 A 25 25 LEU C C 25 177.591 177.721 -0.130 1
1 330 . 5 1 1 A 25 25 LEU CA C 25 58.800 58.340 0.460 1
1 331 . 5 1 1 A 25 25 LEU CB C 25 42.000 41.320 0.680 1
1 335 . 5 1 1 A 25 25 LEU N N 25 122.468 126.594 -4.126 1
1 336 . 5 1 1 A 26 26 ASP H H 26 8.671 8.177 0.494 1
1 337 . 5 1 1 A 26 26 ASP HA H 26 4.389 4.257 0.132 1
1 340 . 5 1 1 A 26 26 ASP C C 26 178.739 178.038 0.701 1
1 341 . 5 1 1 A 26 26 ASP CA C 26 56.540 57.540 -1.000 1
1 342 . 5 1 1 A 26 26 ASP CB C 26 39.570 42.340 -2.770 1
1 343 . 5 1 1 A 26 26 ASP N N 26 114.189 119.039 -4.850 1
1 344 . 5 1 1 A 27 27 GLU H H 27 7.235 8.440 -1.205 1
1 345 . 5 1 1 A 27 27 GLU HA H 27 4.304 4.062 0.242 1
1 350 . 5 1 1 A 27 27 GLU C C 27 177.678 178.335 -0.657 1
1 351 . 5 1 1 A 27 27 GLU CA C 27 58.830 59.221 -0.391 1
1 352 . 5 1 1 A 27 27 GLU CB C 27 30.650 28.912 1.738 1
1 354 . 5 1 1 A 27 27 GLU N N 27 120.618 117.463 3.155 1
1 355 . 5 1 1 A 28 28 TYR H H 28 7.703 7.942 -0.239 1
1 356 . 5 1 1 A 28 28 TYR HA H 28 4.149 4.114 0.035 1
1 363 . 5 1 1 A 28 28 TYR C C 28 177.108 177.775 -0.667 1
1 364 . 5 1 1 A 28 28 TYR CA C 28 60.600 61.441 -0.841 1
1 365 . 5 1 1 A 28 28 TYR CB C 28 39.300 38.745 0.555 1
1 370 . 5 1 1 A 28 28 TYR N N 28 121.871 121.594 0.277 1
1 371 . 5 1 1 A 29 29 GLU H H 29 8.727 8.045 0.682 1
1 372 . 5 1 1 A 29 29 GLU HA H 29 3.823 3.745 0.078 1
1 377 . 5 1 1 A 29 29 GLU C C 29 177.456 178.512 -1.056 1
1 378 . 5 1 1 A 29 29 GLU CA C 29 58.770 59.914 -1.144 1
1 379 . 5 1 1 A 29 29 GLU CB C 29 29.880 29.392 0.488 1
1 381 . 5 1 1 A 29 29 GLU N N 29 116.326 117.796 -1.470 1
1 382 . 5 1 1 A 30 30 GLU H H 30 7.225 8.021 -0.796 1
1 383 . 5 1 1 A 30 30 GLU HA H 30 4.219 4.184 0.035 1
1 388 . 5 1 1 A 30 30 GLU C C 30 177.012 176.440 0.572 1
1 389 . 5 1 1 A 30 30 GLU CA C 30 59.750 58.706 1.044 1
1 390 . 5 1 1 A 30 30 GLU CB C 30 29.310 29.193 0.117 1
1 392 . 5 1 1 A 30 30 GLU N N 30 119.394 117.448 1.946 1
1 393 . 5 1 1 A 31 31 LEU H H 31 7.512 7.571 -0.059 1
1 394 . 5 1 1 A 31 31 LEU HA H 31 5.102 4.593 0.509 1
1 404 . 5 1 1 A 31 31 LEU C C 31 173.363 174.599 -1.236 1
1 405 . 5 1 1 A 31 31 LEU CA C 31 55.760 53.734 2.026 1
1 406 . 5 1 1 A 31 31 LEU CB C 31 42.880 43.892 -1.012 1
1 410 . 5 1 1 A 31 31 LEU N N 31 118.039 116.558 1.481 1
1 411 . 5 1 1 A 32 32 HIS H H 32 8.196 8.745 -0.549 1
1 412 . 5 1 1 A 32 32 HIS HA H 32 4.433 5.013 -0.580 1
1 417 . 5 1 1 A 32 32 HIS C C 32 171.973 172.979 -1.006 1
1 418 . 5 1 1 A 32 32 HIS CA C 32 54.660 54.264 0.396 1
1 419 . 5 1 1 A 32 32 HIS CB C 32 31.500 31.414 0.086 1
1 422 . 5 1 1 A 32 32 HIS N N 32 114.425 115.311 -0.886 1
1 423 . 5 1 1 A 33 33 LEU H H 33 10.099 8.712 1.387 1
1 424 . 5 1 1 A 33 33 LEU HA H 33 4.745 4.095 0.650 1
1 434 . 5 1 1 A 33 33 LEU CA C 33 53.423 53.359 0.064 1
1 435 . 5 1 1 A 33 33 LEU CB C 33 42.750 41.508 1.242 1
1 439 . 5 1 1 A 33 33 LEU N N 33 124.819 121.199 3.620 1
1 440 . 5 1 1 A 34 34 PRO HA H 34 4.328 4.437 -0.109 1
1 447 . 5 1 1 A 34 34 PRO C C 34 177.012 177.657 -0.645 1
1 448 . 5 1 1 A 34 34 PRO CA C 34 64.440 64.337 0.103 1
1 449 . 5 1 1 A 34 34 PRO CB C 34 31.660 31.738 -0.078 1
1 452 . 5 1 1 A 35 35 ASN H H 35 8.736 8.342 0.394 1
1 453 . 5 1 1 A 35 35 ASN HA H 35 4.701 4.854 -0.153 1
1 458 . 5 1 1 A 35 35 ASN C C 35 174.801 175.410 -0.609 1
1 459 . 5 1 1 A 35 35 ASN CA C 35 53.470 53.422 0.048 1
1 460 . 5 1 1 A 35 35 ASN CB C 35 37.650 39.233 -1.583 1
1 461 . 5 1 1 A 35 35 ASN N N 35 113.231 115.702 -2.471 1
1 463 . 5 1 1 A 36 36 ALA H H 36 7.434 7.262 0.172 1
1 464 . 5 1 1 A 36 36 ALA HA H 36 4.523 4.574 -0.051 1
1 468 . 5 1 1 A 36 36 ALA C C 36 177.494 177.027 0.467 1
1 469 . 5 1 1 A 36 36 ALA CA C 36 52.700 50.601 2.099 1
1 470 . 5 1 1 A 36 36 ALA CB C 36 21.760 20.816 0.944 1
1 471 . 5 1 1 A 36 36 ALA N N 36 122.419 122.175 0.244 1
1 472 . 5 1 1 A 37 37 THR H H 37 8.334 8.713 -0.379 1
1 473 . 5 1 1 A 37 37 THR HA H 37 4.184 4.611 -0.427 1
1 479 . 5 1 1 A 37 37 THR C C 37 172.359 173.727 -1.368 1
1 480 . 5 1 1 A 37 37 THR CA C 37 63.020 62.492 0.528 1
1 481 . 5 1 1 A 37 37 THR CB C 37 69.800 69.343 0.457 1
1 483 . 5 1 1 A 37 37 THR N N 37 121.183 119.218 1.965 1
1 484 . 5 1 1 A 38 38 LEU H H 38 8.306 8.706 -0.400 1
1 485 . 5 1 1 A 38 38 LEU HA H 38 4.815 4.530 0.285 1
1 495 . 5 1 1 A 38 38 LEU C C 38 176.529 174.893 1.636 1
1 496 . 5 1 1 A 38 38 LEU CA C 38 53.873 54.786 -0.913 1
1 497 . 5 1 1 A 38 38 LEU CB C 38 41.830 42.107 -0.277 1
1 501 . 5 1 1 A 38 38 LEU N N 38 130.981 130.256 0.725 1
1 502 . 5 1 1 A 39 39 ILE H H 39 8.612 8.173 0.439 1
1 503 . 5 1 1 A 39 39 ILE HA H 39 3.779 4.663 -0.884 1
1 513 . 5 1 1 A 39 39 ILE C C 39 172.186 174.854 -2.668 1
1 514 . 5 1 1 A 39 39 ILE CA C 39 62.040 59.477 2.563 1
1 515 . 5 1 1 A 39 39 ILE CB C 39 40.360 42.039 -1.679 1
1 519 . 5 1 1 A 39 39 ILE N N 39 131.100 128.952 2.148 1
1 520 . 5 1 1 A 40 40 SER H H 40 8.123 8.862 -0.739 1
1 521 . 5 1 1 A 40 40 SER HA H 40 3.904 4.642 -0.738 1
1 524 . 5 1 1 A 40 40 SER C C 40 177.629 175.484 2.145 1
1 525 . 5 1 1 A 40 40 SER CA C 40 58.810 59.188 -0.378 1
1 526 . 5 1 1 A 40 40 SER CB C 40 63.090 63.351 -0.261 1
1 527 . 5 1 1 A 40 40 SER N N 40 118.068 122.024 -3.956 1
1 528 . 5 1 1 A 41 41 VAL H H 41 7.739 8.558 -0.819 1
1 529 . 5 1 1 A 41 41 VAL HA H 41 3.913 3.820 0.093 1
1 537 . 5 1 1 A 41 41 VAL C C 41 174.714 177.339 -2.625 1
1 538 . 5 1 1 A 41 41 VAL CA C 41 58.990 64.976 -5.986 1
1 539 . 5 1 1 A 41 41 VAL CB C 41 31.730 31.897 -0.167 1
1 542 . 5 1 1 A 41 41 VAL N N 41 124.290 127.245 -2.955 1
1 543 . 5 1 1 A 42 42 ASN H H 42 8.344 8.780 -0.436 1
1 544 . 5 1 1 A 42 42 ASN HA H 42 4.630 4.559 0.071 1
1 549 . 5 1 1 A 42 42 ASN C C 42 175.699 175.868 -0.169 1
1 550 . 5 1 1 A 42 42 ASN CA C 42 54.860 54.709 0.151 1
1 551 . 5 1 1 A 42 42 ASN CB C 42 38.610 37.207 1.403 1
1 552 . 5 1 1 A 42 42 ASN N N 42 116.715 116.163 0.552 1
1 554 . 5 1 1 A 43 43 ASP H H 43 8.417 7.410 1.007 1
1 555 . 5 1 1 A 43 43 ASP HA H 43 5.021 4.892 0.129 1
1 558 . 5 1 1 A 43 43 ASP C C 43 175.699 176.049 -0.350 1
1 559 . 5 1 1 A 43 43 ASP CA C 43 52.300 52.608 -0.308 1
1 560 . 5 1 1 A 43 43 ASP CB C 43 39.540 38.490 1.050 1
1 561 . 5 1 1 A 43 43 ASP N N 43 125.038 119.896 5.142 1
1 562 . 5 1 1 A 44 44 GLN H H 44 7.762 8.136 -0.374 1
1 563 . 5 1 1 A 44 44 GLN HA H 44 3.815 4.010 -0.195 1
1 570 . 5 1 1 A 44 44 GLN C C 44 178.430 178.087 0.343 1
1 571 . 5 1 1 A 44 44 GLN CA C 44 59.650 59.105 0.545 1
1 572 . 5 1 1 A 44 44 GLN CB C 44 28.760 28.358 0.402 1
1 574 . 5 1 1 A 44 44 GLN N N 44 119.490 122.408 -2.918 1
1 576 . 5 1 1 A 45 45 GLU H H 45 8.705 8.464 0.241 1
1 577 . 5 1 1 A 45 45 GLU HA H 45 4.059 4.074 -0.015 1
1 582 . 5 1 1 A 45 45 GLU C C 45 178.739 178.849 -0.110 1
1 583 . 5 1 1 A 45 45 GLU CA C 45 59.660 59.386 0.274 1
1 584 . 5 1 1 A 45 45 GLU CB C 45 28.900 29.318 -0.418 1
1 586 . 5 1 1 A 45 45 GLU N N 45 119.373 118.533 0.840 1
1 587 . 5 1 1 A 46 46 LYS H H 46 7.545 7.775 -0.230 1
1 588 . 5 1 1 A 46 46 LYS HA H 46 4.119 4.181 -0.062 1
1 597 . 5 1 1 A 46 46 LYS C C 46 179.579 178.711 0.868 1
1 598 . 5 1 1 A 46 46 LYS CA C 46 58.940 59.175 -0.235 1
1 599 . 5 1 1 A 46 46 LYS CB C 46 32.750 32.088 0.662 1
1 603 . 5 1 1 A 46 46 LYS N N 46 120.645 119.931 0.714 1
1 604 . 5 1 1 A 47 47 LEU H H 47 8.005 7.878 0.127 1
1 605 . 5 1 1 A 47 47 LEU HA H 47 4.059 4.042 0.017 1
1 615 . 5 1 1 A 47 47 LEU C C 47 177.436 178.247 -0.811 1
1 616 . 5 1 1 A 47 47 LEU CA C 47 58.090 57.694 0.396 1
1 617 . 5 1 1 A 47 47 LEU CB C 47 41.150 41.260 -0.110 1
1 621 . 5 1 1 A 47 47 LEU N N 47 122.201 121.119 1.082 1
1 622 . 5 1 1 A 48 48 ALA H H 48 8.239 8.146 0.093 1
1 623 . 5 1 1 A 48 48 ALA HA H 48 3.733 3.775 -0.042 1
1 627 . 5 1 1 A 48 48 ALA C C 48 179.347 179.187 0.160 1
1 628 . 5 1 1 A 48 48 ALA CA C 48 55.420 55.030 0.390 1
1 629 . 5 1 1 A 48 48 ALA CB C 48 18.240 17.975 0.265 1
1 630 . 5 1 1 A 48 48 ALA N N 48 121.483 121.016 0.467 1
1 631 . 5 1 1 A 49 49 ASP H H 49 8.001 7.838 0.163 1
1 632 . 5 1 1 A 49 49 ASP HA H 49 4.308 4.351 -0.043 1
1 635 . 5 1 1 A 49 49 ASP C C 49 179.106 178.120 0.986 1
1 636 . 5 1 1 A 49 49 ASP CA C 49 57.350 57.235 0.115 1
1 637 . 5 1 1 A 49 49 ASP CB C 49 41.250 41.492 -0.242 1
1 638 . 5 1 1 A 49 49 ASP N N 49 117.231 119.120 -1.889 1
1 639 . 5 1 1 A 50 50 PHE H H 50 8.265 8.206 0.059 1
1 640 . 5 1 1 A 50 50 PHE HA H 50 4.101 4.106 -0.005 1
1 647 . 5 1 1 A 50 50 PHE C C 50 179.048 176.697 2.351 1
1 648 . 5 1 1 A 50 50 PHE CA C 50 62.590 61.359 1.231 1
1 649 . 5 1 1 A 50 50 PHE CB C 50 39.810 39.173 0.637 1
1 651 . 5 1 1 A 50 50 PHE N N 50 122.379 120.296 2.083 1
1 652 . 5 1 1 A 51 51 LEU H H 51 8.653 8.123 0.530 1
1 653 . 5 1 1 A 51 51 LEU HA H 51 3.789 3.932 -0.143 1
1 663 . 5 1 1 A 51 51 LEU C C 51 180.400 178.861 1.539 1
1 664 . 5 1 1 A 51 51 LEU CA C 51 58.140 57.569 0.571 1
1 665 . 5 1 1 A 51 51 LEU CB C 51 38.770 40.751 -1.981 1
1 669 . 5 1 1 A 51 51 LEU N N 51 120.277 119.814 0.463 1
1 670 . 5 1 1 A 52 52 SER H H 52 8.332 7.962 0.370 1
1 671 . 5 1 1 A 52 52 SER HA H 52 4.160 4.398 -0.238 1
1 674 . 5 1 1 A 52 52 SER C C 52 176.220 176.602 -0.382 1
1 675 . 5 1 1 A 52 52 SER CA C 52 61.840 60.904 0.936 1
1 676 . 5 1 1 A 52 52 SER CB C 52 62.850 63.334 -0.484 1
1 677 . 5 1 1 A 52 52 SER N N 52 115.630 114.222 1.408 1
1 678 . 5 1 1 A 53 53 GLN H H 53 7.405 7.830 -0.425 1
1 679 . 5 1 1 A 53 53 GLN HA H 53 4.092 4.086 0.006 1
1 686 . 5 1 1 A 53 53 GLN C C 53 176.046 176.774 -0.728 1
1 687 . 5 1 1 A 53 53 GLN CA C 53 56.560 58.681 -2.121 1
1 688 . 5 1 1 A 53 53 GLN CB C 53 28.580 28.768 -0.188 1
1 690 . 5 1 1 A 53 53 GLN N N 53 119.056 120.650 -1.594 1
1 692 . 5 1 1 A 54 54 HIS H H 54 7.311 7.724 -0.413 1
1 693 . 5 1 1 A 54 54 HIS HA H 54 4.754 4.685 0.069 1
1 696 . 5 1 1 A 54 54 HIS C C 54 175.467 175.729 -0.262 1
1 697 . 5 1 1 A 54 54 HIS CA C 54 55.562 56.483 -0.921 1
1 698 . 5 1 1 A 54 54 HIS CB C 54 29.650 32.006 -2.356 1
1 699 . 5 1 1 A 54 54 HIS N N 54 117.800 114.623 3.177 1
1 700 . 5 1 1 A 55 55 LYS H H 55 7.646 7.800 -0.154 1
1 701 . 5 1 1 A 55 55 LYS HA H 55 4.296 4.096 0.200 1
1 710 . 5 1 1 A 55 55 LYS C C 55 176.741 175.583 1.158 1
1 711 . 5 1 1 A 55 55 LYS CA C 55 58.710 58.718 -0.008 1
1 712 . 5 1 1 A 55 55 LYS CB C 55 32.370 30.394 1.976 1
1 716 . 5 1 1 A 55 55 LYS N N 55 119.903 116.352 3.551 1
1 717 . 5 1 1 A 56 56 ASP H H 56 8.853 8.363 0.490 1
1 718 . 5 1 1 A 56 56 ASP HA H 56 4.655 4.830 -0.175 1
1 721 . 5 1 1 A 56 56 ASP C C 56 175.158 174.863 0.295 1
1 722 . 5 1 1 A 56 56 ASP CA C 56 53.930 53.771 0.159 1
1 723 . 5 1 1 A 56 56 ASP CB C 56 40.220 39.075 1.145 1
1 724 . 5 1 1 A 56 56 ASP N N 56 116.429 118.177 -1.748 1
1 725 . 5 1 1 A 57 57 LYS H H 57 7.655 8.165 -0.510 1
1 726 . 5 1 1 A 57 57 LYS HA H 57 4.701 5.041 -0.340 1
1 735 . 5 1 1 A 57 57 LYS C C 57 175.236 174.418 0.818 1
1 736 . 5 1 1 A 57 57 LYS CA C 57 53.830 54.989 -1.159 1
1 737 . 5 1 1 A 57 57 LYS CB C 57 35.550 36.248 -0.698 1
1 741 . 5 1 1 A 57 57 LYS N N 57 119.510 117.810 1.700 1
1 742 . 5 1 1 A 58 58 LYS H H 58 8.265 8.540 -0.275 1
1 743 . 5 1 1 A 58 58 LYS HA H 58 4.745 4.818 -0.073 1
1 752 . 5 1 1 A 58 58 LYS C C 58 175.651 175.281 0.370 1
1 753 . 5 1 1 A 58 58 LYS CA C 58 56.870 56.108 0.762 1
1 754 . 5 1 1 A 58 58 LYS CB C 58 33.250 33.488 -0.238 1
1 758 . 5 1 1 A 58 58 LYS N N 58 120.091 123.777 -3.686 1
1 759 . 5 1 1 A 59 59 VAL H H 59 9.233 9.093 0.140 1
1 760 . 5 1 1 A 59 59 VAL HA H 59 5.231 5.337 -0.106 1
1 768 . 5 1 1 A 59 59 VAL C C 59 173.556 174.640 -1.084 1
1 769 . 5 1 1 A 59 59 VAL CA C 59 60.930 61.434 -0.504 1
1 770 . 5 1 1 A 59 59 VAL CB C 59 34.300 33.986 0.314 1
1 772 . 5 1 1 A 59 59 VAL N N 59 127.047 127.704 -0.657 1
1 773 . 5 1 1 A 60 60 LEU H H 60 9.228 8.813 0.415 1
1 774 . 5 1 1 A 60 60 LEU HA H 60 4.815 5.017 -0.202 1
1 784 . 5 1 1 A 60 60 LEU C C 60 173.421 174.881 -1.460 1
1 785 . 5 1 1 A 60 60 LEU CA C 60 52.586 53.749 -1.163 1
1 786 . 5 1 1 A 60 60 LEU CB C 60 45.660 44.572 1.088 1
1 790 . 5 1 1 A 60 60 LEU N N 60 129.197 129.219 -0.022 1
1 791 . 5 1 1 A 61 61 LEU H H 61 9.055 9.061 -0.006 1
1 792 . 5 1 1 A 61 61 LEU HA H 61 5.713 4.911 0.802 1
1 802 . 5 1 1 A 61 61 LEU C C 61 176.683 176.605 0.078 1
1 803 . 5 1 1 A 61 61 LEU CA C 61 52.760 54.264 -1.504 1
1 804 . 5 1 1 A 61 61 LEU CB C 61 43.220 40.936 2.284 1
1 808 . 5 1 1 A 61 61 LEU N N 61 125.903 128.725 -2.822 1
1 809 . 5 1 1 A 62 62 HIS H H 62 9.148 8.920 0.228 1
1 810 . 5 1 1 A 62 62 HIS HA H 62 5.440 5.441 -0.001 1
1 816 . 5 1 1 A 62 62 HIS C C 62 172.301 173.848 -1.547 1
1 817 . 5 1 1 A 62 62 HIS CA C 62 54.580 53.996 0.584 1
1 818 . 5 1 1 A 62 62 HIS CB C 62 33.980 32.166 1.814 1
1 821 . 5 1 1 A 62 62 HIS N N 62 119.183 121.884 -2.701 1
1 823 . 5 1 1 A 63 63 CYS H H 63 9.389 8.293 1.096 1
1 824 . 5 1 1 A 63 63 CYS HA H 63 5.021 4.695 0.326 1
1 827 . 5 1 1 A 63 63 CYS C C 63 177.649 175.153 2.496 1
1 828 . 5 1 1 A 63 63 CYS CA C 63 56.460 57.518 -1.058 1
1 829 . 5 1 1 A 63 63 CYS CB C 63 29.400 30.563 -1.163 1
1 830 . 5 1 1 A 63 63 CYS N N 63 120.896 117.822 3.074 1
1 831 . 5 1 1 A 64 64 ARG H H 64 8.658 8.721 -0.063 1
1 832 . 5 1 1 A 64 64 ARG HA H 64 4.425 3.849 0.576 1
1 839 . 5 1 1 A 64 64 ARG C C 64 174.724 177.484 -2.760 1
1 840 . 5 1 1 A 64 64 ARG CA C 64 59.000 59.331 -0.331 1
1 841 . 5 1 1 A 64 64 ARG CB C 64 30.820 30.083 0.737 1
1 844 . 5 1 1 A 64 64 ARG N N 64 130.651 126.304 4.347 1
1 845 . 5 1 1 A 65 65 ALA H H 65 8.166 7.977 0.189 1
1 846 . 5 1 1 A 65 65 ALA HA H 65 5.399 4.552 0.847 1
1 850 . 5 1 1 A 65 65 ALA C C 65 177.909 177.322 0.587 1
1 851 . 5 1 1 A 65 65 ALA CA C 65 52.020 52.836 -0.816 1
1 852 . 5 1 1 A 65 65 ALA CB C 65 20.270 21.540 -1.270 1
1 853 . 5 1 1 A 65 65 ALA N N 65 118.548 119.180 -0.632 1
1 854 . 5 1 1 A 66 66 GLY H H 66 9.300 7.893 1.407 1
1 855 . 5 1 1 A 66 66 GLY HA2 H 66 4.872 4.063 0.809 1
1 856 . 5 1 1 A 66 66 GLY HA3 H 66 4.450 4.067 0.383 1
1 857 . 5 1 1 A 66 66 GLY C C 66 176.761 174.985 1.776 1
1 858 . 5 1 1 A 66 66 GLY CA C 66 46.630 45.319 1.311 1
1 859 . 5 1 1 A 66 66 GLY N N 66 114.644 106.473 8.171 1
1 860 . 5 1 1 A 67 67 ARG H H 67 8.118 8.060 0.058 1
1 861 . 5 1 1 A 67 67 ARG HA H 67 4.141 3.994 0.147 1
1 871 . 5 1 1 A 67 67 ARG C C 67 178.691 178.546 0.145 1
1 872 . 5 1 1 A 67 67 ARG CA C 67 60.930 58.703 2.227 1
1 873 . 5 1 1 A 67 67 ARG CB C 67 31.240 29.770 1.470 1
1 876 . 5 1 1 A 67 67 ARG N N 67 121.922 122.287 -0.365 1
1 879 . 5 1 1 A 68 68 ARG H H 68 9.366 8.027 1.339 1
1 880 . 5 1 1 A 68 68 ARG HA H 68 4.282 4.032 0.250 1
1 887 . 5 1 1 A 68 68 ARG C C 68 178.681 179.109 -0.428 1
1 888 . 5 1 1 A 68 68 ARG CA C 68 59.410 58.897 0.513 1
1 889 . 5 1 1 A 68 68 ARG CB C 68 30.760 29.576 1.184 1
1 892 . 5 1 1 A 68 68 ARG N N 68 123.821 119.061 4.760 1
1 893 . 5 1 1 A 69 69 ALA H H 69 10.112 8.113 1.999 1
1 894 . 5 1 1 A 69 69 ALA HA H 69 3.800 4.098 -0.298 1
1 898 . 5 1 1 A 69 69 ALA C C 69 178.334 179.717 -1.383 1
1 899 . 5 1 1 A 69 69 ALA CA C 69 55.960 55.225 0.735 1
1 900 . 5 1 1 A 69 69 ALA CB C 69 17.730 18.612 -0.882 1
1 901 . 5 1 1 A 69 69 ALA N N 69 125.465 122.077 3.388 1
1 902 . 5 1 1 A 70 70 LEU H H 70 7.746 7.758 -0.012 1
1 903 . 5 1 1 A 70 70 LEU HA H 70 3.340 3.107 0.233 1
1 913 . 5 1 1 A 70 70 LEU C C 70 177.996 177.703 0.293 1
1 914 . 5 1 1 A 70 70 LEU CA C 70 57.950 57.687 0.263 1
1 915 . 5 1 1 A 70 70 LEU CB C 70 40.720 41.528 -0.808 1
1 919 . 5 1 1 A 70 70 LEU N N 70 118.427 119.463 -1.036 1
1 920 . 5 1 1 A 71 71 ASP H H 71 7.662 8.296 -0.634 1
1 921 . 5 1 1 A 71 71 ASP HA H 71 4.236 4.149 0.087 1
1 924 . 5 1 1 A 71 71 ASP C C 71 179.560 178.089 1.471 1
1 925 . 5 1 1 A 71 71 ASP CA C 71 57.880 57.569 0.311 1
1 926 . 5 1 1 A 71 71 ASP CB C 71 40.340 41.665 -1.325 1
1 927 . 5 1 1 A 71 71 ASP N N 71 120.180 118.627 1.553 1
1 928 . 5 1 1 A 72 72 ALA H H 72 8.796 7.935 0.861 1
1 929 . 5 1 1 A 72 72 ALA HA H 72 4.101 4.071 0.030 1
1 933 . 5 1 1 A 72 72 ALA C C 72 179.203 179.441 -0.238 1
1 934 . 5 1 1 A 72 72 ALA CA C 72 54.670 55.160 -0.490 1
1 935 . 5 1 1 A 72 72 ALA CB C 72 18.490 17.828 0.662 1
1 936 . 5 1 1 A 72 72 ALA N N 72 122.299 121.171 1.128 1
1 937 . 5 1 1 A 73 73 ALA H H 73 8.672 7.671 1.001 1
1 938 . 5 1 1 A 73 73 ALA HA H 73 3.758 4.121 -0.363 1
1 942 . 5 1 1 A 73 73 ALA C C 73 179.251 179.742 -0.491 1
1 943 . 5 1 1 A 73 73 ALA CA C 73 55.950 55.219 0.731 1
1 944 . 5 1 1 A 73 73 ALA CB C 73 17.660 18.322 -0.662 1
1 945 . 5 1 1 A 73 73 ALA N N 73 121.294 119.973 1.321 1
1 946 . 5 1 1 A 74 74 LYS H H 74 8.914 8.020 0.894 1
1 947 . 5 1 1 A 74 74 LYS HA H 74 3.790 3.843 -0.053 1
1 956 . 5 1 1 A 74 74 LYS C C 74 179.589 179.445 0.144 1
1 957 . 5 1 1 A 74 74 LYS CA C 74 60.620 59.314 1.306 1
1 958 . 5 1 1 A 74 74 LYS CB C 74 32.330 32.248 0.082 1
1 962 . 5 1 1 A 74 74 LYS N N 74 119.404 117.792 1.612 1
1 963 . 5 1 1 A 75 75 SER H H 75 7.874 7.896 -0.022 1
1 964 . 5 1 1 A 75 75 SER HA H 75 4.272 4.121 0.151 1
1 967 . 5 1 1 A 75 75 SER C C 75 176.944 177.020 -0.076 1
1 968 . 5 1 1 A 75 75 SER CA C 75 61.840 61.894 -0.054 1
1 969 . 5 1 1 A 75 75 SER CB C 75 62.990 62.828 0.162 1
1 970 . 5 1 1 A 75 75 SER N N 75 114.306 116.071 -1.765 1
1 971 . 5 1 1 A 76 76 MET H H 76 8.401 7.803 0.598 1
1 972 . 5 1 1 A 76 76 MET HA H 76 4.881 4.311 0.570 1
1 980 . 5 1 1 A 76 76 MET C C 76 179.811 178.898 0.913 1
1 981 . 5 1 1 A 76 76 MET CA C 76 56.060 58.569 -2.509 1
1 982 . 5 1 1 A 76 76 MET CB C 76 34.780 32.781 1.999 1
1 985 . 5 1 1 A 76 76 MET N N 76 119.510 119.628 -0.118 1
1 986 . 5 1 1 A 77 77 HIS H H 77 9.450 8.089 1.361 1
1 987 . 5 1 1 A 77 77 HIS HA H 77 5.148 4.720 0.428 1
1 992 . 5 1 1 A 77 77 HIS C C 77 181.596 177.831 3.765 1
1 993 . 5 1 1 A 77 77 HIS CA C 77 59.550 59.267 0.283 1
1 994 . 5 1 1 A 77 77 HIS CB C 77 30.720 29.654 1.066 1
1 997 . 5 1 1 A 77 77 HIS N N 77 123.245 117.877 5.368 1
1 998 . 5 1 1 A 78 78 GLU H H 78 7.832 7.874 -0.042 1
1 999 . 5 1 1 A 78 78 GLU HA H 78 4.159 4.204 -0.045 1
1 1004 . 5 1 1 A 78 78 GLU C C 78 177.909 178.944 -1.035 1
1 1005 . 5 1 1 A 78 78 GLU CA C 78 59.110 58.962 0.148 1
1 1006 . 5 1 1 A 78 78 GLU CB C 78 29.380 29.181 0.199 1
1 1008 . 5 1 1 A 78 78 GLU N N 78 121.124 119.168 1.956 1
1 1009 . 5 1 1 A 79 79 LEU H H 79 7.161 7.467 -0.306 1
1 1010 . 5 1 1 A 79 79 LEU HA H 79 4.360 4.157 0.203 1
1 1020 . 5 1 1 A 79 79 LEU C C 79 176.934 176.442 0.492 1
1 1021 . 5 1 1 A 79 79 LEU CA C 79 54.820 55.958 -1.138 1
1 1022 . 5 1 1 A 79 79 LEU CB C 79 43.300 43.107 0.193 1
1 1026 . 5 1 1 A 79 79 LEU N N 79 116.655 118.267 -1.612 1
1 1027 . 5 1 1 A 80 80 GLY H H 80 7.545 7.390 0.155 1
1 1028 . 5 1 1 A 80 80 GLY HA2 H 80 4.101 3.842 0.259 1
1 1029 . 5 1 1 A 80 80 GLY HA3 H 80 3.580 3.941 -0.361 1
1 1030 . 5 1 1 A 80 80 GLY C C 80 174.116 174.456 -0.340 1
1 1031 . 5 1 1 A 80 80 GLY CA C 80 45.010 45.066 -0.056 1
1 1032 . 5 1 1 A 80 80 GLY N N 80 105.216 105.160 0.056 1
1 1033 . 5 1 1 A 81 81 TYR H H 81 7.519 7.601 -0.082 1
1 1034 . 5 1 1 A 81 81 TYR HA H 81 4.727 4.531 0.196 1
1 1041 . 5 1 1 A 81 81 TYR C C 81 174.377 174.835 -0.458 1
1 1042 . 5 1 1 A 81 81 TYR CA C 81 56.960 58.087 -1.127 1
1 1043 . 5 1 1 A 81 81 TYR CB C 81 40.310 39.415 0.895 1
1 1046 . 5 1 1 A 81 81 TYR N N 81 119.660 120.141 -0.481 1
1 1047 . 5 1 1 A 82 82 THR H H 82 8.786 8.731 0.055 1
1 1048 . 5 1 1 A 82 82 THR HA H 82 3.390 3.663 -0.273 1
1 1053 . 5 1 1 A 82 82 THR CA C 82 57.030 58.274 -1.244 1
1 1054 . 5 1 1 A 82 82 THR CB C 82 68.740 68.766 -0.026 1
1 1056 . 5 1 1 A 82 82 THR N N 82 105.368 113.794 -8.426 1
1 1057 . 5 1 1 A 83 83 PRO HA H 83 5.003 4.801 0.202 1
1 1064 . 5 1 1 A 83 83 PRO C C 83 175.699 176.052 -0.353 1
1 1065 . 5 1 1 A 83 83 PRO CA C 83 63.140 62.384 0.756 1
1 1066 . 5 1 1 A 83 83 PRO CB C 83 31.570 32.217 -0.647 1
1 1069 . 5 1 1 A 84 84 TYR H H 84 9.497 8.587 0.910 1
1 1070 . 5 1 1 A 84 84 TYR HA H 84 5.482 5.172 0.310 1
1 1077 . 5 1 1 A 84 84 TYR C C 84 175.506 175.158 0.348 1
1 1078 . 5 1 1 A 84 84 TYR CA C 84 57.570 57.882 -0.312 1
1 1079 . 5 1 1 A 84 84 TYR CB C 84 40.500 39.648 0.852 1
1 1082 . 5 1 1 A 84 84 TYR N N 84 119.880 120.031 -0.151 1
1 1083 . 5 1 1 A 85 85 TYR H H 85 8.570 8.473 0.097 1
1 1084 . 5 1 1 A 85 85 TYR HA H 85 5.730 5.699 0.031 1
1 1089 . 5 1 1 A 85 85 TYR C C 85 172.215 172.259 -0.044 1
1 1090 . 5 1 1 A 85 85 TYR CA C 85 55.240 56.044 -0.804 1
1 1091 . 5 1 1 A 85 85 TYR CB C 85 40.830 41.542 -0.712 1
1 1093 . 5 1 1 A 85 85 TYR N N 85 116.764 118.135 -1.371 1
1 1094 . 5 1 1 A 86 86 LEU H H 86 8.196 8.973 -0.777 1
1 1095 . 5 1 1 A 86 86 LEU HA H 86 4.881 5.150 -0.269 1
1 1105 . 5 1 1 A 86 86 LEU C C 86 177.552 174.607 2.945 1
1 1106 . 5 1 1 A 86 86 LEU CA C 86 53.376 53.661 -0.285 1
1 1107 . 5 1 1 A 86 86 LEU CB C 86 44.360 45.259 -0.899 1
1 1111 . 5 1 1 A 86 86 LEU N N 86 121.589 123.558 -1.969 1
1 1112 . 5 1 1 A 87 87 GLU H H 87 9.146 8.525 0.621 1
1 1113 . 5 1 1 A 87 87 GLU HA H 87 4.797 5.045 -0.248 1
1 1118 . 5 1 1 A 87 87 GLU C C 87 174.965 176.894 -1.929 1
1 1119 . 5 1 1 A 87 87 GLU CA C 87 55.405 55.427 -0.022 1
1 1120 . 5 1 1 A 87 87 GLU CB C 87 30.010 30.438 -0.428 1
1 1122 . 5 1 1 A 87 87 GLU N N 87 128.779 126.728 2.051 1
1 1123 . 5 1 1 A 88 88 GLY H H 88 7.349 8.335 -0.986 1
1 1124 . 5 1 1 A 88 88 GLY HA2 H 88 4.110 4.220 -0.110 1
1 1125 . 5 1 1 A 88 88 GLY HA3 H 88 4.023 4.293 -0.270 1
1 1126 . 5 1 1 A 88 88 GLY C C 88 170.593 171.896 -1.303 1
1 1127 . 5 1 1 A 88 88 GLY CA C 88 44.970 45.954 -0.984 1
1 1128 . 5 1 1 A 88 88 GLY N N 88 112.564 110.967 1.597 1
1 1129 . 5 1 1 A 89 89 ASN H H 89 8.756 8.585 0.171 1
1 1130 . 5 1 1 A 89 89 ASN HA H 89 5.722 5.442 0.280 1
1 1135 . 5 1 1 A 89 89 ASN C C 89 176.336 176.142 0.194 1
1 1136 . 5 1 1 A 89 89 ASN CA C 89 52.210 53.553 -1.343 1
1 1137 . 5 1 1 A 89 89 ASN CB C 89 40.950 38.629 2.321 1
1 1138 . 5 1 1 A 89 89 ASN N N 89 121.363 119.195 2.168 1
1 1140 . 5 1 1 A 90 90 VAL H H 90 8.928 7.941 0.987 1
1 1141 . 5 1 1 A 90 90 VAL HA H 90 4.425 1.797 2.628 1
1 1149 . 5 1 1 A 90 90 VAL C C 90 175.660 176.503 -0.843 1
1 1150 . 5 1 1 A 90 90 VAL CA C 90 58.930 63.734 -4.804 1
1 1151 . 5 1 1 A 90 90 VAL CB C 90 30.860 31.224 -0.364 1
1 1154 . 5 1 1 A 90 90 VAL N N 90 128.990 125.416 3.574 1
1 1155 . 5 1 1 A 91 91 TYR H H 91 8.330 7.498 0.832 1
1 1156 . 5 1 1 A 91 91 TYR HA H 91 4.016 4.246 -0.230 1
1 1163 . 5 1 1 A 91 91 TYR C C 91 175.718 177.637 -1.919 1
1 1164 . 5 1 1 A 91 91 TYR CA C 91 61.700 61.537 0.163 1
1 1165 . 5 1 1 A 91 91 TYR CB C 91 36.580 38.162 -1.582 1
1 1168 . 5 1 1 A 91 91 TYR N N 91 119.510 119.148 0.362 1
1 1169 . 5 1 1 A 92 92 ASP H H 92 8.654 7.918 0.736 1
1 1170 . 5 1 1 A 92 92 ASP HA H 92 5.146 4.804 0.342 1
1 1173 . 5 1 1 A 92 92 ASP C C 92 177.224 178.674 -1.450 1
1 1174 . 5 1 1 A 92 92 ASP CA C 92 54.290 56.321 -2.031 1
1 1175 . 5 1 1 A 92 92 ASP CB C 92 42.670 40.797 1.873 1
1 1176 . 5 1 1 A 92 92 ASP N N 92 117.541 119.653 -2.112 1
1 1177 . 5 1 1 A 93 93 PHE H H 93 7.673 7.346 0.327 1
1 1178 . 5 1 1 A 93 93 PHE HA H 93 4.688 4.431 0.257 1
1 1186 . 5 1 1 A 93 93 PHE C C 93 179.270 178.395 0.875 1
1 1187 . 5 1 1 A 93 93 PHE CA C 93 60.340 62.145 -1.805 1
1 1188 . 5 1 1 A 93 93 PHE CB C 93 36.010 38.570 -2.560 1
1 1192 . 5 1 1 A 93 93 PHE N N 93 123.205 117.735 5.470 1
1 1193 . 5 1 1 A 94 94 GLU H H 94 9.164 8.627 0.537 1
1 1194 . 5 1 1 A 94 94 GLU HA H 94 4.676 4.473 0.203 1
1 1199 . 5 1 1 A 94 94 GLU C C 94 180.805 179.200 1.605 1
1 1200 . 5 1 1 A 94 94 GLU CA C 94 59.240 60.091 -0.851 1
1 1201 . 5 1 1 A 94 94 GLU CB C 94 29.640 29.348 0.292 1
1 1203 . 5 1 1 A 94 94 GLU N N 94 118.657 119.661 -1.004 1
1 1204 . 5 1 1 A 95 95 LYS H H 95 8.005 8.405 -0.400 1
1 1205 . 5 1 1 A 95 95 LYS HA H 95 4.103 4.189 -0.086 1
1 1214 . 5 1 1 A 95 95 LYS C C 95 177.948 178.286 -0.338 1
1 1215 . 5 1 1 A 95 95 LYS CA C 95 58.680 59.043 -0.363 1
1 1216 . 5 1 1 A 95 95 LYS CB C 95 31.690 32.142 -0.452 1
1 1220 . 5 1 1 A 95 95 LYS N N 95 121.494 118.878 2.616 1
1 1221 . 5 1 1 A 96 96 TYR H H 96 7.710 8.050 -0.340 1
1 1222 . 5 1 1 A 96 96 TYR HA H 96 4.332 4.480 -0.148 1
1 1229 . 5 1 1 A 96 96 TYR C C 96 174.550 175.605 -1.055 1
1 1230 . 5 1 1 A 96 96 TYR CA C 96 59.370 59.760 -0.390 1
1 1231 . 5 1 1 A 96 96 TYR CB C 96 38.340 38.903 -0.563 1
1 1234 . 5 1 1 A 96 96 TYR N N 96 117.421 118.931 -1.510 1
1 1235 . 5 1 1 A 97 97 GLY H H 97 7.796 7.711 0.085 1
1 1236 . 5 1 1 A 97 97 GLY HA2 H 97 3.966 3.902 0.064 1
1 1237 . 5 1 1 A 97 97 GLY HA3 H 97 3.580 4.037 -0.457 1
1 1238 . 5 1 1 A 97 97 GLY C C 97 173.662 174.204 -0.542 1
1 1239 . 5 1 1 A 97 97 GLY CA C 97 45.160 44.936 0.224 1
1 1240 . 5 1 1 A 97 97 GLY N N 97 105.806 106.624 -0.818 1
1 1241 . 5 1 1 A 98 98 PHE H H 98 7.323 7.868 -0.545 1
1 1242 . 5 1 1 A 98 98 PHE HA H 98 4.644 4.617 0.027 1
1 1250 . 5 1 1 A 98 98 PHE C C 98 173.353 175.383 -2.030 1
1 1251 . 5 1 1 A 98 98 PHE CA C 98 57.490 58.221 -0.731 1
1 1252 . 5 1 1 A 98 98 PHE CB C 98 38.550 39.989 -1.439 1
1 1256 . 5 1 1 A 98 98 PHE N N 98 120.718 119.164 1.554 1
1 1257 . 5 1 1 A 99 99 ARG H H 99 7.903 8.803 -0.900 1
1 1258 . 5 1 1 A 99 99 ARG HA H 99 4.283 4.483 -0.200 1
1 1265 . 5 1 1 A 99 99 ARG C C 99 175.680 175.282 0.398 1
1 1266 . 5 1 1 A 99 99 ARG CA C 99 56.320 56.958 -0.638 1
1 1267 . 5 1 1 A 99 99 ARG CB C 99 30.610 30.916 -0.306 1
1 1270 . 5 1 1 A 99 99 ARG N N 99 122.817 124.035 -1.218 1
1 1271 . 5 1 1 A 100 100 MET H H 100 8.133 9.030 -0.897 1
1 1272 . 5 1 1 A 100 100 MET HA H 100 4.843 5.064 -0.221 1
1 1280 . 5 1 1 A 100 100 MET C C 100 175.255 174.246 1.009 1
1 1281 . 5 1 1 A 100 100 MET CA C 100 52.343 54.378 -2.035 1
1 1282 . 5 1 1 A 100 100 MET CB C 100 34.410 37.290 -2.880 1
1 1285 . 5 1 1 A 100 100 MET N N 100 121.483 125.126 -3.643 1
1 1286 . 5 1 1 A 101 101 VAL H H 101 8.471 8.631 -0.160 1
1 1287 . 5 1 1 A 101 101 VAL HA H 101 3.890 4.865 -0.975 1
1 1295 . 5 1 1 A 101 101 VAL C C 101 175.351 174.944 0.407 1
1 1296 . 5 1 1 A 101 101 VAL CA C 101 61.500 61.245 0.255 1
1 1297 . 5 1 1 A 101 101 VAL CB C 101 31.730 33.420 -1.690 1
1 1300 . 5 1 1 A 101 101 VAL N N 101 119.940 121.793 -1.853 1
1 1301 . 5 1 1 A 102 102 TYR H H 102 8.612 9.012 -0.400 1
1 1302 . 5 1 1 A 102 102 TYR HA H 102 4.938 5.136 -0.198 1
1 1309 . 5 1 1 A 102 102 TYR C C 102 175.892 175.814 0.078 1
1 1310 . 5 1 1 A 102 102 TYR CA C 102 57.140 56.500 0.640 1
1 1311 . 5 1 1 A 102 102 TYR CB C 102 40.990 40.982 0.008 1
1 1314 . 5 1 1 A 102 102 TYR N N 102 126.390 125.609 0.781 1
1 1315 . 5 1 1 A 103 103 ASP H H 103 8.071 9.063 -0.992 1
1 1316 . 5 1 1 A 103 103 ASP HA H 103 4.621 4.411 0.210 1
1 1319 . 5 1 1 A 103 103 ASP C C 103 176.220 175.746 0.474 1
1 1320 . 5 1 1 A 103 103 ASP CA C 103 55.050 54.758 0.292 1
1 1321 . 5 1 1 A 103 103 ASP CB C 103 40.220 39.339 0.881 1
1 1322 . 5 1 1 A 103 103 ASP N N 103 120.738 123.324 -2.586 1
1 1323 . 5 1 1 A 104 104 ASP H H 104 8.642 8.218 0.424 1
1 1324 . 5 1 1 A 104 104 ASP HA H 104 4.730 4.794 -0.064 1
1 1327 . 5 1 1 A 104 104 ASP C C 104 176.095 176.329 -0.234 1
1 1328 . 5 1 1 A 104 104 ASP CA C 104 53.510 53.688 -0.178 1
1 1329 . 5 1 1 A 104 104 ASP CB C 104 41.060 40.681 0.379 1
1 1330 . 5 1 1 A 104 104 ASP N N 104 121.582 117.630 3.952 1
1 1331 . 5 1 1 A 105 105 THR H H 105 8.119 7.691 0.428 1
1 1332 . 5 1 1 A 105 105 THR HA H 105 4.389 4.466 -0.077 1
1 1337 . 5 1 1 A 105 105 THR C C 105 173.508 174.220 -0.712 1
1 1338 . 5 1 1 A 105 105 THR CA C 105 61.580 62.831 -1.251 1
1 1339 . 5 1 1 A 105 105 THR CB C 105 69.840 69.041 0.799 1
1 1341 . 5 1 1 A 105 105 THR N N 105 113.632 114.620 -0.988 1
1 1342 . 5 1 1 A 106 106 CYS H H 106 8.013 8.042 -0.029 1
1 1343 . 5 1 1 A 106 106 CYS N N 106 129.098 119.462 9.636 1
1 1344 . 5 1 1 A 107 107 ASP HA H 107 4.606 4.499 0.107 1
1 1347 . 5 1 1 A 107 107 ASP C C 107 176.075 175.980 0.095 1
1 1348 . 5 1 1 A 107 107 ASP CA C 107 54.790 54.777 0.013 1
1 1349 . 5 1 1 A 107 107 ASP CB C 107 40.990 40.201 0.789 1
1 1350 . 5 1 1 A 108 108 LYS H H 108 8.216 9.059 -0.843 1
1 1351 . 5 1 1 A 108 108 LYS HA H 108 4.326 4.491 -0.165 1
1 1360 . 5 1 1 A 108 108 LYS C C 108 176.490 176.057 0.433 1
1 1361 . 5 1 1 A 108 108 LYS CA C 108 56.140 57.328 -1.188 1
1 1362 . 5 1 1 A 108 108 LYS CB C 108 32.910 34.913 -2.003 1
1 1366 . 5 1 1 A 108 108 LYS N N 108 121.982 126.182 -4.200 1
1 1367 . 5 1 1 A 109 109 LYS H H 109 8.411 8.081 0.330 1
1 1368 . 5 1 1 A 109 109 LYS HA H 109 4.344 4.277 0.067 1
1 1377 . 5 1 1 A 109 109 LYS C C 109 175.583 175.810 -0.227 1
1 1378 . 5 1 1 A 109 109 LYS CA C 109 56.150 58.399 -2.249 1
1 1379 . 5 1 1 A 109 109 LYS CB C 109 33.050 31.210 1.840 1
1 1383 . 5 1 1 A 109 109 LYS N N 109 122.966 118.062 4.904 1
1 14 . 6 1 1 A 2 2 LEU H H 2 8.858 7.825 1.033 1
1 15 . 6 1 1 A 2 2 LEU HA H 2 4.010 3.912 0.098 1
1 25 . 6 1 1 A 2 2 LEU C C 2 179.512 178.660 0.852 1
1 26 . 6 1 1 A 2 2 LEU CA C 2 57.230 56.413 0.817 1
1 27 . 6 1 1 A 2 2 LEU CB C 2 41.500 41.057 0.443 1
1 31 . 6 1 1 A 2 2 LEU N N 2 124.589 117.350 7.239 1
1 32 . 6 1 1 A 3 3 GLU H H 3 9.299 9.034 0.265 1
1 33 . 6 1 1 A 3 3 GLU HA H 3 4.234 4.531 -0.297 1
1 38 . 6 1 1 A 3 3 GLU C C 3 178.189 177.474 0.715 1
1 39 . 6 1 1 A 3 3 GLU CA C 3 59.930 58.473 1.457 1
1 40 . 6 1 1 A 3 3 GLU CB C 3 28.810 27.980 0.830 1
1 42 . 6 1 1 A 3 3 GLU N N 3 118.833 121.896 -3.063 1
1 43 . 6 1 1 A 4 4 ASP H H 4 8.188 8.156 0.032 1
1 44 . 6 1 1 A 4 4 ASP HA H 4 4.524 4.543 -0.019 1
1 47 . 6 1 1 A 4 4 ASP C C 4 176.722 177.345 -0.623 1
1 48 . 6 1 1 A 4 4 ASP CA C 4 56.240 56.010 0.230 1
1 49 . 6 1 1 A 4 4 ASP CB C 4 39.910 40.752 -0.842 1
1 50 . 6 1 1 A 4 4 ASP N N 4 118.286 119.998 -1.712 1
1 51 . 6 1 1 A 5 5 TYR H H 5 8.336 7.880 0.456 1
1 52 . 6 1 1 A 5 5 TYR HA H 5 4.284 4.565 -0.281 1
1 59 . 6 1 1 A 5 5 TYR C C 5 172.456 175.743 -3.287 1
1 60 . 6 1 1 A 5 5 TYR CA C 5 58.770 59.047 -0.277 1
1 61 . 6 1 1 A 5 5 TYR CB C 5 37.820 37.844 -0.024 1
1 64 . 6 1 1 A 5 5 TYR N N 5 119.641 116.143 3.498 1
1 65 . 6 1 1 A 6 6 ALA H H 6 6.748 7.381 -0.633 1
1 66 . 6 1 1 A 6 6 ALA HA H 6 3.470 3.428 0.042 1
1 70 . 6 1 1 A 6 6 ALA C C 6 178.122 176.448 1.674 1
1 71 . 6 1 1 A 6 6 ALA CA C 6 51.440 51.239 0.201 1
1 72 . 6 1 1 A 6 6 ALA CB C 6 19.600 18.352 1.248 1
1 73 . 6 1 1 A 6 6 ALA N N 6 122.727 123.252 -0.525 1
1 74 . 6 1 1 A 7 7 ILE H H 7 8.665 8.043 0.622 1
1 75 . 6 1 1 A 7 7 ILE HA H 7 4.303 4.216 0.087 1
1 85 . 6 1 1 A 7 7 ILE C C 7 174.386 175.479 -1.093 1
1 86 . 6 1 1 A 7 7 ILE CA C 7 58.640 61.470 -2.830 1
1 87 . 6 1 1 A 7 7 ILE CB C 7 39.820 37.459 2.361 1
1 91 . 6 1 1 A 7 7 ILE N N 7 124.318 123.838 0.480 1
1 92 . 6 1 1 A 8 8 SER H H 8 8.884 8.629 0.255 1
1 93 . 6 1 1 A 8 8 SER HA H 8 4.881 4.762 0.119 1
1 96 . 6 1 1 A 8 8 SER C C 8 176.268 175.183 1.085 1
1 97 . 6 1 1 A 8 8 SER CA C 8 57.157 57.613 -0.456 1
1 98 . 6 1 1 A 8 8 SER CB C 8 64.390 65.126 -0.736 1
1 99 . 6 1 1 A 8 8 SER N N 8 122.739 122.099 0.640 1
1 100 . 6 1 1 A 9 9 LEU H H 9 8.077 8.740 -0.663 1
1 101 . 6 1 1 A 9 9 LEU HA H 9 3.652 3.865 -0.213 1
1 111 . 6 1 1 A 9 9 LEU C C 9 175.322 178.116 -2.794 1
1 112 . 6 1 1 A 9 9 LEU CA C 9 57.190 58.130 -0.940 1
1 113 . 6 1 1 A 9 9 LEU CB C 9 42.290 41.513 0.777 1
1 117 . 6 1 1 A 9 9 LEU N N 9 126.321 128.714 -2.393 1
1 118 . 6 1 1 A 10 10 GLU H H 10 8.361 9.216 -0.855 1
1 119 . 6 1 1 A 10 10 GLU HA H 10 3.754 4.451 -0.697 1
1 124 . 6 1 1 A 10 10 GLU C C 10 176.452 177.202 -0.750 1
1 125 . 6 1 1 A 10 10 GLU CA C 10 58.470 59.146 -0.676 1
1 126 . 6 1 1 A 10 10 GLU CB C 10 29.480 29.135 0.345 1
1 128 . 6 1 1 A 10 10 GLU N N 10 112.911 116.609 -3.698 1
1 129 . 6 1 1 A 11 11 GLU H H 11 7.284 7.860 -0.576 1
1 130 . 6 1 1 A 11 11 GLU HA H 11 4.531 4.519 0.012 1
1 135 . 6 1 1 A 11 11 GLU C C 11 176.539 176.373 0.166 1
1 136 . 6 1 1 A 11 11 GLU CA C 11 55.240 55.836 -0.596 1
1 137 . 6 1 1 A 11 11 GLU CB C 11 32.160 30.829 1.331 1
1 139 . 6 1 1 A 11 11 GLU N N 11 114.276 114.802 -0.526 1
1 140 . 6 1 1 A 12 12 VAL H H 12 7.077 6.927 0.150 1
1 141 . 6 1 1 A 12 12 VAL HA H 12 3.677 3.807 -0.130 1
1 149 . 6 1 1 A 12 12 VAL C C 12 173.900 175.029 -1.129 1
1 150 . 6 1 1 A 12 12 VAL CA C 12 62.510 62.199 0.311 1
1 151 . 6 1 1 A 12 12 VAL CB C 12 31.920 31.807 0.113 1
1 154 . 6 1 1 A 12 12 VAL N N 12 121.932 120.942 0.990 1
1 155 . 6 1 1 A 13 13 ASN H H 13 7.996 8.428 -0.432 1
1 156 . 6 1 1 A 13 13 ASN HA H 13 4.840 5.167 -0.327 1
1 161 . 6 1 1 A 13 13 ASN C C 13 176.876 174.957 1.919 1
1 162 . 6 1 1 A 13 13 ASN CA C 13 52.168 51.599 0.569 1
1 163 . 6 1 1 A 13 13 ASN CB C 13 38.500 39.420 -0.920 1
1 164 . 6 1 1 A 13 13 ASN N N 13 121.232 125.636 -4.404 1
1 166 . 6 1 1 A 14 14 PHE H H 14 6.268 7.627 -1.359 1
1 167 . 6 1 1 A 14 14 PHE HA H 14 3.868 4.118 -0.250 1
1 175 . 6 1 1 A 14 14 PHE C C 14 176.423 177.808 -1.385 1
1 176 . 6 1 1 A 14 14 PHE CA C 14 62.520 60.590 1.930 1
1 177 . 6 1 1 A 14 14 PHE CB C 14 38.780 38.759 0.021 1
1 181 . 6 1 1 A 14 14 PHE N N 14 120.637 121.252 -0.615 1
1 182 . 6 1 1 A 15 15 ASN H H 15 8.184 8.368 -0.184 1
1 183 . 6 1 1 A 15 15 ASN HA H 15 4.602 4.463 0.139 1
1 188 . 6 1 1 A 15 15 ASN C C 15 175.738 176.641 -0.903 1
1 189 . 6 1 1 A 15 15 ASN CA C 15 55.240 55.774 -0.534 1
1 190 . 6 1 1 A 15 15 ASN CB C 15 38.270 38.108 0.162 1
1 191 . 6 1 1 A 15 15 ASN N N 15 113.599 117.076 -3.477 1
1 193 . 6 1 1 A 16 16 ASP H H 16 7.680 7.620 0.060 1
1 194 . 6 1 1 A 16 16 ASP HA H 16 4.450 4.361 0.089 1
1 197 . 6 1 1 A 16 16 ASP C C 16 174.589 175.297 -0.708 1
1 198 . 6 1 1 A 16 16 ASP CA C 16 54.860 55.228 -0.368 1
1 199 . 6 1 1 A 16 16 ASP CB C 16 41.140 41.767 -0.627 1
1 200 . 6 1 1 A 16 16 ASP N N 16 117.808 119.001 -1.193 1
1 201 . 6 1 1 A 17 17 PHE H H 17 7.648 7.154 0.494 1
1 202 . 6 1 1 A 17 17 PHE HA H 17 4.788 5.036 -0.248 1
1 210 . 6 1 1 A 17 17 PHE C C 17 175.516 175.703 -0.187 1
1 211 . 6 1 1 A 17 17 PHE CA C 17 56.790 56.672 0.118 1
1 212 . 6 1 1 A 17 17 PHE CB C 17 44.090 41.617 2.473 1
1 216 . 6 1 1 A 17 17 PHE N N 17 116.207 115.791 0.416 1
1 217 . 6 1 1 A 18 18 ILE H H 18 8.674 9.056 -0.382 1
1 218 . 6 1 1 A 18 18 ILE HA H 18 4.335 4.489 -0.154 1
1 228 . 6 1 1 A 18 18 ILE C C 18 175.612 176.033 -0.421 1
1 229 . 6 1 1 A 18 18 ILE CA C 18 60.930 61.512 -0.582 1
1 230 . 6 1 1 A 18 18 ILE CB C 18 37.620 37.457 0.163 1
1 234 . 6 1 1 A 18 18 ILE N N 18 121.498 123.727 -2.229 1
1 235 . 6 1 1 A 19 19 VAL H H 19 9.009 8.359 0.650 1
1 236 . 6 1 1 A 19 19 VAL HA H 19 4.760 4.793 -0.033 1
1 244 . 6 1 1 A 19 19 VAL C C 19 175.622 175.405 0.217 1
1 245 . 6 1 1 A 19 19 VAL CA C 19 62.974 61.870 1.104 1
1 246 . 6 1 1 A 19 19 VAL CB C 19 32.770 32.307 0.463 1
1 249 . 6 1 1 A 19 19 VAL N N 19 129.378 128.514 0.864 1
1 250 . 6 1 1 A 20 20 VAL H H 20 9.606 9.029 0.577 1
1 251 . 6 1 1 A 20 20 VAL HA H 20 4.581 4.547 0.034 1
1 259 . 6 1 1 A 20 20 VAL C C 20 172.234 174.774 -2.540 1
1 260 . 6 1 1 A 20 20 VAL CA C 20 60.660 60.699 -0.039 1
1 261 . 6 1 1 A 20 20 VAL CB C 20 33.910 35.045 -1.135 1
1 264 . 6 1 1 A 20 20 VAL N N 20 131.965 127.115 4.850 1
1 265 . 6 1 1 A 21 21 ASP H H 21 8.367 8.798 -0.431 1
1 266 . 6 1 1 A 21 21 ASP HA H 21 4.105 4.411 -0.306 1
1 269 . 6 1 1 A 21 21 ASP C C 21 176.182 175.385 0.797 1
1 270 . 6 1 1 A 21 21 ASP CA C 21 50.850 53.295 -2.445 1
1 271 . 6 1 1 A 21 21 ASP CB C 21 43.460 40.766 2.694 1
1 272 . 6 1 1 A 21 21 ASP N N 21 129.516 127.572 1.944 1
1 273 . 6 1 1 A 22 22 VAL H H 22 8.095 7.992 0.103 1
1 274 . 6 1 1 A 22 22 VAL HA H 22 5.720 4.939 0.781 1
1 282 . 6 1 1 A 22 22 VAL C C 22 178.006 174.675 3.331 1
1 283 . 6 1 1 A 22 22 VAL CA C 22 58.990 61.163 -2.173 1
1 284 . 6 1 1 A 22 22 VAL CB C 22 30.150 31.280 -1.130 1
1 287 . 6 1 1 A 22 22 VAL N N 22 114.833 120.307 -5.474 1
1 288 . 6 1 1 A 23 23 ARG H H 23 7.467 8.177 -0.710 1
1 289 . 6 1 1 A 23 23 ARG HA H 23 4.358 4.547 -0.189 1
1 299 . 6 1 1 A 23 23 ARG C C 23 172.157 176.002 -3.845 1
1 300 . 6 1 1 A 23 23 ARG CA C 23 56.190 56.538 -0.348 1
1 301 . 6 1 1 A 23 23 ARG CB C 23 31.230 32.648 -1.418 1
1 304 . 6 1 1 A 23 23 ARG N N 23 120.418 125.104 -4.686 1
1 307 . 6 1 1 A 24 24 GLU H H 24 7.372 7.596 -0.224 1
1 308 . 6 1 1 A 24 24 GLU HA H 24 4.454 4.557 -0.103 1
1 313 . 6 1 1 A 24 24 GLU C C 24 178.807 176.104 2.703 1
1 314 . 6 1 1 A 24 24 GLU CA C 24 53.870 55.825 -1.955 1
1 315 . 6 1 1 A 24 24 GLU CB C 24 31.610 33.400 -1.790 1
1 317 . 6 1 1 A 24 24 GLU N N 24 111.001 115.595 -4.594 1
1 318 . 6 1 1 A 25 25 LEU H H 25 8.842 8.600 0.242 1
1 319 . 6 1 1 A 25 25 LEU HA H 25 3.922 3.972 -0.050 1
1 329 . 6 1 1 A 25 25 LEU C C 25 177.591 177.606 -0.015 1
1 330 . 6 1 1 A 25 25 LEU CA C 25 58.800 58.500 0.300 1
1 331 . 6 1 1 A 25 25 LEU CB C 25 42.000 41.380 0.620 1
1 335 . 6 1 1 A 25 25 LEU N N 25 122.468 125.889 -3.421 1
1 336 . 6 1 1 A 26 26 ASP H H 26 8.671 8.212 0.459 1
1 337 . 6 1 1 A 26 26 ASP HA H 26 4.389 4.535 -0.146 1
1 340 . 6 1 1 A 26 26 ASP C C 26 178.739 178.485 0.254 1
1 341 . 6 1 1 A 26 26 ASP CA C 26 56.540 58.011 -1.471 1
1 342 . 6 1 1 A 26 26 ASP CB C 26 39.570 41.758 -2.188 1
1 343 . 6 1 1 A 26 26 ASP N N 26 114.189 118.980 -4.791 1
1 344 . 6 1 1 A 27 27 GLU H H 27 7.235 8.314 -1.079 1
1 345 . 6 1 1 A 27 27 GLU HA H 27 4.304 4.042 0.262 1
1 350 . 6 1 1 A 27 27 GLU C C 27 177.678 178.738 -1.060 1
1 351 . 6 1 1 A 27 27 GLU CA C 27 58.830 59.050 -0.220 1
1 352 . 6 1 1 A 27 27 GLU CB C 27 30.650 29.496 1.154 1
1 354 . 6 1 1 A 27 27 GLU N N 27 120.618 117.818 2.800 1
1 355 . 6 1 1 A 28 28 TYR H H 28 7.703 8.158 -0.455 1
1 356 . 6 1 1 A 28 28 TYR HA H 28 4.149 3.987 0.162 1
1 363 . 6 1 1 A 28 28 TYR C C 28 177.108 177.990 -0.882 1
1 364 . 6 1 1 A 28 28 TYR CA C 28 60.600 60.834 -0.234 1
1 365 . 6 1 1 A 28 28 TYR CB C 28 39.300 38.360 0.940 1
1 370 . 6 1 1 A 28 28 TYR N N 28 121.871 122.127 -0.256 1
1 371 . 6 1 1 A 29 29 GLU H H 29 8.727 8.311 0.416 1
1 372 . 6 1 1 A 29 29 GLU HA H 29 3.823 3.850 -0.027 1
1 377 . 6 1 1 A 29 29 GLU C C 29 177.456 178.948 -1.492 1
1 378 . 6 1 1 A 29 29 GLU CA C 29 58.770 59.780 -1.010 1
1 379 . 6 1 1 A 29 29 GLU CB C 29 29.880 29.197 0.683 1
1 381 . 6 1 1 A 29 29 GLU N N 29 116.326 118.136 -1.810 1
1 382 . 6 1 1 A 30 30 GLU H H 30 7.225 7.985 -0.760 1
1 383 . 6 1 1 A 30 30 GLU HA H 30 4.219 4.199 0.020 1
1 388 . 6 1 1 A 30 30 GLU C C 30 177.012 176.468 0.544 1
1 389 . 6 1 1 A 30 30 GLU CA C 30 59.750 58.492 1.258 1
1 390 . 6 1 1 A 30 30 GLU CB C 30 29.310 29.424 -0.114 1
1 392 . 6 1 1 A 30 30 GLU N N 30 119.394 116.372 3.022 1
1 393 . 6 1 1 A 31 31 LEU H H 31 7.512 7.217 0.295 1
1 394 . 6 1 1 A 31 31 LEU HA H 31 5.102 4.510 0.592 1
1 404 . 6 1 1 A 31 31 LEU C C 31 173.363 174.462 -1.099 1
1 405 . 6 1 1 A 31 31 LEU CA C 31 55.760 53.728 2.032 1
1 406 . 6 1 1 A 31 31 LEU CB C 31 42.880 44.011 -1.131 1
1 410 . 6 1 1 A 31 31 LEU N N 31 118.039 116.638 1.401 1
1 411 . 6 1 1 A 32 32 HIS H H 32 8.196 8.508 -0.312 1
1 412 . 6 1 1 A 32 32 HIS HA H 32 4.433 5.015 -0.582 1
1 417 . 6 1 1 A 32 32 HIS C C 32 171.973 171.906 0.067 1
1 418 . 6 1 1 A 32 32 HIS CA C 32 54.660 54.427 0.233 1
1 419 . 6 1 1 A 32 32 HIS CB C 32 31.500 30.925 0.575 1
1 422 . 6 1 1 A 32 32 HIS N N 32 114.425 114.868 -0.443 1
1 423 . 6 1 1 A 33 33 LEU H H 33 10.099 8.630 1.469 1
1 424 . 6 1 1 A 33 33 LEU HA H 33 4.745 4.209 0.536 1
1 434 . 6 1 1 A 33 33 LEU CA C 33 53.423 53.019 0.404 1
1 435 . 6 1 1 A 33 33 LEU CB C 33 42.750 41.483 1.267 1
1 439 . 6 1 1 A 33 33 LEU N N 33 124.819 120.592 4.227 1
1 440 . 6 1 1 A 34 34 PRO HA H 34 4.328 4.410 -0.082 1
1 447 . 6 1 1 A 34 34 PRO C C 34 177.012 176.205 0.807 1
1 448 . 6 1 1 A 34 34 PRO CA C 34 64.440 64.150 0.290 1
1 449 . 6 1 1 A 34 34 PRO CB C 34 31.660 31.570 0.090 1
1 452 . 6 1 1 A 35 35 ASN H H 35 8.736 8.141 0.595 1
1 453 . 6 1 1 A 35 35 ASN HA H 35 4.701 4.962 -0.261 1
1 458 . 6 1 1 A 35 35 ASN C C 35 174.801 174.399 0.402 1
1 459 . 6 1 1 A 35 35 ASN CA C 35 53.470 52.790 0.680 1
1 460 . 6 1 1 A 35 35 ASN CB C 35 37.650 39.717 -2.067 1
1 461 . 6 1 1 A 35 35 ASN N N 35 113.231 115.468 -2.237 1
1 463 . 6 1 1 A 36 36 ALA H H 36 7.434 7.319 0.115 1
1 464 . 6 1 1 A 36 36 ALA HA H 36 4.523 4.667 -0.144 1
1 468 . 6 1 1 A 36 36 ALA C C 36 177.494 176.369 1.125 1
1 469 . 6 1 1 A 36 36 ALA CA C 36 52.700 50.390 2.310 1
1 470 . 6 1 1 A 36 36 ALA CB C 36 21.760 20.723 1.037 1
1 471 . 6 1 1 A 36 36 ALA N N 36 122.419 123.400 -0.981 1
1 472 . 6 1 1 A 37 37 THR H H 37 8.334 8.653 -0.319 1
1 473 . 6 1 1 A 37 37 THR HA H 37 4.184 4.318 -0.134 1
1 479 . 6 1 1 A 37 37 THR C C 37 172.359 174.257 -1.898 1
1 480 . 6 1 1 A 37 37 THR CA C 37 63.020 63.190 -0.170 1
1 481 . 6 1 1 A 37 37 THR CB C 37 69.800 68.805 0.995 1
1 483 . 6 1 1 A 37 37 THR N N 37 121.183 119.167 2.016 1
1 484 . 6 1 1 A 38 38 LEU H H 38 8.306 8.548 -0.242 1
1 485 . 6 1 1 A 38 38 LEU HA H 38 4.815 4.542 0.273 1
1 495 . 6 1 1 A 38 38 LEU C C 38 176.529 174.919 1.610 1
1 496 . 6 1 1 A 38 38 LEU CA C 38 53.873 54.630 -0.757 1
1 497 . 6 1 1 A 38 38 LEU CB C 38 41.830 42.264 -0.434 1
1 501 . 6 1 1 A 38 38 LEU N N 38 130.981 129.981 1.000 1
1 502 . 6 1 1 A 39 39 ILE H H 39 8.612 8.078 0.534 1
1 503 . 6 1 1 A 39 39 ILE HA H 39 3.779 4.598 -0.819 1
1 513 . 6 1 1 A 39 39 ILE C C 39 172.186 174.693 -2.507 1
1 514 . 6 1 1 A 39 39 ILE CA C 39 62.040 59.985 2.055 1
1 515 . 6 1 1 A 39 39 ILE CB C 39 40.360 41.974 -1.614 1
1 519 . 6 1 1 A 39 39 ILE N N 39 131.100 129.003 2.097 1
1 520 . 6 1 1 A 40 40 SER H H 40 8.123 8.682 -0.559 1
1 521 . 6 1 1 A 40 40 SER HA H 40 3.904 4.565 -0.661 1
1 524 . 6 1 1 A 40 40 SER C C 40 177.629 175.247 2.382 1
1 525 . 6 1 1 A 40 40 SER CA C 40 58.810 57.952 0.858 1
1 526 . 6 1 1 A 40 40 SER CB C 40 63.090 64.188 -1.098 1
1 527 . 6 1 1 A 40 40 SER N N 40 118.068 121.040 -2.972 1
1 528 . 6 1 1 A 41 41 VAL H H 41 7.739 8.602 -0.863 1
1 529 . 6 1 1 A 41 41 VAL HA H 41 3.913 3.850 0.063 1
1 537 . 6 1 1 A 41 41 VAL C C 41 174.714 177.718 -3.004 1
1 538 . 6 1 1 A 41 41 VAL CA C 41 58.990 64.892 -5.902 1
1 539 . 6 1 1 A 41 41 VAL CB C 41 31.730 31.805 -0.075 1
1 542 . 6 1 1 A 41 41 VAL N N 41 124.290 127.189 -2.899 1
1 543 . 6 1 1 A 42 42 ASN H H 42 8.344 7.666 0.678 1
1 544 . 6 1 1 A 42 42 ASN HA H 42 4.630 4.465 0.165 1
1 549 . 6 1 1 A 42 42 ASN C C 42 175.699 176.234 -0.535 1
1 550 . 6 1 1 A 42 42 ASN CA C 42 54.860 56.436 -1.576 1
1 551 . 6 1 1 A 42 42 ASN CB C 42 38.610 38.080 0.530 1
1 552 . 6 1 1 A 42 42 ASN N N 42 116.715 119.720 -3.005 1
1 554 . 6 1 1 A 43 43 ASP H H 43 8.417 7.634 0.783 1
1 555 . 6 1 1 A 43 43 ASP HA H 43 5.021 4.908 0.113 1
1 558 . 6 1 1 A 43 43 ASP C C 43 175.699 176.089 -0.390 1
1 559 . 6 1 1 A 43 43 ASP CA C 43 52.300 52.664 -0.364 1
1 560 . 6 1 1 A 43 43 ASP CB C 43 39.540 38.488 1.052 1
1 561 . 6 1 1 A 43 43 ASP N N 43 125.038 119.079 5.959 1
1 562 . 6 1 1 A 44 44 GLN H H 44 7.762 8.168 -0.406 1
1 563 . 6 1 1 A 44 44 GLN HA H 44 3.815 4.018 -0.203 1
1 570 . 6 1 1 A 44 44 GLN C C 44 178.430 178.446 -0.016 1
1 571 . 6 1 1 A 44 44 GLN CA C 44 59.650 59.065 0.585 1
1 572 . 6 1 1 A 44 44 GLN CB C 44 28.760 28.672 0.088 1
1 574 . 6 1 1 A 44 44 GLN N N 44 119.490 122.515 -3.025 1
1 576 . 6 1 1 A 45 45 GLU H H 45 8.705 8.456 0.249 1
1 577 . 6 1 1 A 45 45 GLU HA H 45 4.059 4.056 0.003 1
1 582 . 6 1 1 A 45 45 GLU C C 45 178.739 178.859 -0.120 1
1 583 . 6 1 1 A 45 45 GLU CA C 45 59.660 59.364 0.296 1
1 584 . 6 1 1 A 45 45 GLU CB C 45 28.900 29.029 -0.129 1
1 586 . 6 1 1 A 45 45 GLU N N 45 119.373 118.705 0.668 1
1 587 . 6 1 1 A 46 46 LYS H H 46 7.545 7.801 -0.256 1
1 588 . 6 1 1 A 46 46 LYS HA H 46 4.119 4.150 -0.031 1
1 597 . 6 1 1 A 46 46 LYS C C 46 179.579 178.709 0.870 1
1 598 . 6 1 1 A 46 46 LYS CA C 46 58.940 59.284 -0.344 1
1 599 . 6 1 1 A 46 46 LYS CB C 46 32.750 32.218 0.532 1
1 603 . 6 1 1 A 46 46 LYS N N 46 120.645 119.893 0.752 1
1 604 . 6 1 1 A 47 47 LEU H H 47 8.005 7.856 0.149 1
1 605 . 6 1 1 A 47 47 LEU HA H 47 4.059 4.074 -0.015 1
1 615 . 6 1 1 A 47 47 LEU C C 47 177.436 178.271 -0.835 1
1 616 . 6 1 1 A 47 47 LEU CA C 47 58.090 57.940 0.150 1
1 617 . 6 1 1 A 47 47 LEU CB C 47 41.150 41.413 -0.263 1
1 621 . 6 1 1 A 47 47 LEU N N 47 122.201 121.362 0.839 1
1 622 . 6 1 1 A 48 48 ALA H H 48 8.239 8.412 -0.173 1
1 623 . 6 1 1 A 48 48 ALA HA H 48 3.733 3.784 -0.051 1
1 627 . 6 1 1 A 48 48 ALA C C 48 179.347 179.260 0.087 1
1 628 . 6 1 1 A 48 48 ALA CA C 48 55.420 55.123 0.297 1
1 629 . 6 1 1 A 48 48 ALA CB C 48 18.240 18.063 0.177 1
1 630 . 6 1 1 A 48 48 ALA N N 48 121.483 120.748 0.735 1
1 631 . 6 1 1 A 49 49 ASP H H 49 8.001 7.808 0.193 1
1 632 . 6 1 1 A 49 49 ASP HA H 49 4.308 4.337 -0.029 1
1 635 . 6 1 1 A 49 49 ASP C C 49 179.106 178.145 0.961 1
1 636 . 6 1 1 A 49 49 ASP CA C 49 57.350 57.209 0.141 1
1 637 . 6 1 1 A 49 49 ASP CB C 49 41.250 41.459 -0.209 1
1 638 . 6 1 1 A 49 49 ASP N N 49 117.231 119.006 -1.775 1
1 639 . 6 1 1 A 50 50 PHE H H 50 8.265 8.208 0.057 1
1 640 . 6 1 1 A 50 50 PHE HA H 50 4.101 4.026 0.075 1
1 647 . 6 1 1 A 50 50 PHE C C 50 179.048 176.542 2.506 1
1 648 . 6 1 1 A 50 50 PHE CA C 50 62.590 61.269 1.321 1
1 649 . 6 1 1 A 50 50 PHE CB C 50 39.810 39.145 0.665 1
1 651 . 6 1 1 A 50 50 PHE N N 50 122.379 120.184 2.195 1
1 652 . 6 1 1 A 51 51 LEU H H 51 8.653 7.789 0.864 1
1 653 . 6 1 1 A 51 51 LEU HA H 51 3.789 3.778 0.011 1
1 663 . 6 1 1 A 51 51 LEU C C 51 180.400 179.323 1.077 1
1 664 . 6 1 1 A 51 51 LEU CA C 51 58.140 57.529 0.611 1
1 665 . 6 1 1 A 51 51 LEU CB C 51 38.770 40.641 -1.871 1
1 669 . 6 1 1 A 51 51 LEU N N 51 120.277 119.699 0.578 1
1 670 . 6 1 1 A 52 52 SER H H 52 8.332 7.923 0.409 1
1 671 . 6 1 1 A 52 52 SER HA H 52 4.160 4.342 -0.182 1
1 674 . 6 1 1 A 52 52 SER C C 52 176.220 176.935 -0.715 1
1 675 . 6 1 1 A 52 52 SER CA C 52 61.840 61.031 0.809 1
1 676 . 6 1 1 A 52 52 SER CB C 52 62.850 63.071 -0.221 1
1 677 . 6 1 1 A 52 52 SER N N 52 115.630 114.301 1.329 1
1 678 . 6 1 1 A 53 53 GLN H H 53 7.405 7.824 -0.419 1
1 679 . 6 1 1 A 53 53 GLN HA H 53 4.092 3.983 0.109 1
1 686 . 6 1 1 A 53 53 GLN C C 53 176.046 177.231 -1.185 1
1 687 . 6 1 1 A 53 53 GLN CA C 53 56.560 58.878 -2.318 1
1 688 . 6 1 1 A 53 53 GLN CB C 53 28.580 28.121 0.459 1
1 690 . 6 1 1 A 53 53 GLN N N 53 119.056 120.802 -1.746 1
1 692 . 6 1 1 A 54 54 HIS H H 54 7.311 7.529 -0.218 1
1 693 . 6 1 1 A 54 54 HIS HA H 54 4.754 4.643 0.111 1
1 696 . 6 1 1 A 54 54 HIS C C 54 175.467 175.594 -0.127 1
1 697 . 6 1 1 A 54 54 HIS CA C 54 55.562 56.772 -1.210 1
1 698 . 6 1 1 A 54 54 HIS CB C 54 29.650 31.467 -1.817 1
1 699 . 6 1 1 A 54 54 HIS N N 54 117.800 114.166 3.634 1
1 700 . 6 1 1 A 55 55 LYS H H 55 7.646 7.648 -0.002 1
1 701 . 6 1 1 A 55 55 LYS HA H 55 4.296 4.005 0.291 1
1 710 . 6 1 1 A 55 55 LYS C C 55 176.741 175.084 1.657 1
1 711 . 6 1 1 A 55 55 LYS CA C 55 58.710 58.664 0.046 1
1 712 . 6 1 1 A 55 55 LYS CB C 55 32.370 30.341 2.029 1
1 716 . 6 1 1 A 55 55 LYS N N 55 119.903 116.012 3.891 1
1 717 . 6 1 1 A 56 56 ASP H H 56 8.853 8.140 0.713 1
1 718 . 6 1 1 A 56 56 ASP HA H 56 4.655 4.753 -0.098 1
1 721 . 6 1 1 A 56 56 ASP C C 56 175.158 174.535 0.623 1
1 722 . 6 1 1 A 56 56 ASP CA C 56 53.930 53.191 0.739 1
1 723 . 6 1 1 A 56 56 ASP CB C 56 40.220 39.333 0.887 1
1 724 . 6 1 1 A 56 56 ASP N N 56 116.429 120.599 -4.170 1
1 725 . 6 1 1 A 57 57 LYS H H 57 7.655 8.105 -0.450 1
1 726 . 6 1 1 A 57 57 LYS HA H 57 4.701 5.082 -0.381 1
1 735 . 6 1 1 A 57 57 LYS C C 57 175.236 174.441 0.795 1
1 736 . 6 1 1 A 57 57 LYS CA C 57 53.830 55.016 -1.186 1
1 737 . 6 1 1 A 57 57 LYS CB C 57 35.550 35.898 -0.348 1
1 741 . 6 1 1 A 57 57 LYS N N 57 119.510 120.609 -1.099 1
1 742 . 6 1 1 A 58 58 LYS H H 58 8.265 8.665 -0.400 1
1 743 . 6 1 1 A 58 58 LYS HA H 58 4.745 5.043 -0.298 1
1 752 . 6 1 1 A 58 58 LYS C C 58 175.651 175.638 0.013 1
1 753 . 6 1 1 A 58 58 LYS CA C 58 56.870 55.750 1.120 1
1 754 . 6 1 1 A 58 58 LYS CB C 58 33.250 34.011 -0.761 1
1 758 . 6 1 1 A 58 58 LYS N N 58 120.091 123.179 -3.088 1
1 759 . 6 1 1 A 59 59 VAL H H 59 9.233 9.250 -0.017 1
1 760 . 6 1 1 A 59 59 VAL HA H 59 5.231 5.470 -0.239 1
1 768 . 6 1 1 A 59 59 VAL C C 59 173.556 174.275 -0.719 1
1 769 . 6 1 1 A 59 59 VAL CA C 59 60.930 61.199 -0.269 1
1 770 . 6 1 1 A 59 59 VAL CB C 59 34.300 35.280 -0.980 1
1 772 . 6 1 1 A 59 59 VAL N N 59 127.047 126.983 0.064 1
1 773 . 6 1 1 A 60 60 LEU H H 60 9.228 8.994 0.234 1
1 774 . 6 1 1 A 60 60 LEU HA H 60 4.815 5.106 -0.291 1
1 784 . 6 1 1 A 60 60 LEU C C 60 173.421 175.153 -1.732 1
1 785 . 6 1 1 A 60 60 LEU CA C 60 52.586 53.731 -1.145 1
1 786 . 6 1 1 A 60 60 LEU CB C 60 45.660 44.841 0.819 1
1 790 . 6 1 1 A 60 60 LEU N N 60 129.197 129.473 -0.276 1
1 791 . 6 1 1 A 61 61 LEU H H 61 9.055 9.149 -0.094 1
1 792 . 6 1 1 A 61 61 LEU HA H 61 5.713 4.959 0.754 1
1 802 . 6 1 1 A 61 61 LEU C C 61 176.683 176.629 0.054 1
1 803 . 6 1 1 A 61 61 LEU CA C 61 52.760 54.287 -1.527 1
1 804 . 6 1 1 A 61 61 LEU CB C 61 43.220 41.077 2.143 1
1 808 . 6 1 1 A 61 61 LEU N N 61 125.903 128.872 -2.969 1
1 809 . 6 1 1 A 62 62 HIS H H 62 9.148 8.982 0.166 1
1 810 . 6 1 1 A 62 62 HIS HA H 62 5.440 5.463 -0.023 1
1 816 . 6 1 1 A 62 62 HIS C C 62 172.301 173.733 -1.432 1
1 817 . 6 1 1 A 62 62 HIS CA C 62 54.580 53.990 0.590 1
1 818 . 6 1 1 A 62 62 HIS CB C 62 33.980 31.693 2.287 1
1 821 . 6 1 1 A 62 62 HIS N N 62 119.183 122.133 -2.950 1
1 823 . 6 1 1 A 63 63 CYS H H 63 9.389 8.151 1.238 1
1 824 . 6 1 1 A 63 63 CYS HA H 63 5.021 4.720 0.301 1
1 827 . 6 1 1 A 63 63 CYS C C 63 177.649 175.335 2.314 1
1 828 . 6 1 1 A 63 63 CYS CA C 63 56.460 57.234 -0.774 1
1 829 . 6 1 1 A 63 63 CYS CB C 63 29.400 30.484 -1.084 1
1 830 . 6 1 1 A 63 63 CYS N N 63 120.896 120.099 0.797 1
1 831 . 6 1 1 A 64 64 ARG H H 64 8.658 8.954 -0.296 1
1 832 . 6 1 1 A 64 64 ARG HA H 64 4.425 3.945 0.480 1
1 839 . 6 1 1 A 64 64 ARG C C 64 174.724 177.608 -2.884 1
1 840 . 6 1 1 A 64 64 ARG CA C 64 59.000 59.692 -0.692 1
1 841 . 6 1 1 A 64 64 ARG CB C 64 30.820 30.383 0.437 1
1 844 . 6 1 1 A 64 64 ARG N N 64 130.651 126.908 3.743 1
1 845 . 6 1 1 A 65 65 ALA H H 65 8.166 7.447 0.719 1
1 846 . 6 1 1 A 65 65 ALA HA H 65 5.399 4.566 0.833 1
1 850 . 6 1 1 A 65 65 ALA C C 65 177.909 177.276 0.633 1
1 851 . 6 1 1 A 65 65 ALA CA C 65 52.020 52.852 -0.832 1
1 852 . 6 1 1 A 65 65 ALA CB C 65 20.270 21.483 -1.213 1
1 853 . 6 1 1 A 65 65 ALA N N 65 118.548 119.074 -0.526 1
1 854 . 6 1 1 A 66 66 GLY H H 66 9.300 7.911 1.389 1
1 855 . 6 1 1 A 66 66 GLY HA2 H 66 4.872 4.061 0.811 1
1 856 . 6 1 1 A 66 66 GLY HA3 H 66 4.450 4.076 0.374 1
1 857 . 6 1 1 A 66 66 GLY C C 66 176.761 174.868 1.893 1
1 858 . 6 1 1 A 66 66 GLY CA C 66 46.630 45.438 1.192 1
1 859 . 6 1 1 A 66 66 GLY N N 66 114.644 106.720 7.924 1
1 860 . 6 1 1 A 67 67 ARG H H 67 8.118 8.033 0.085 1
1 861 . 6 1 1 A 67 67 ARG HA H 67 4.141 4.007 0.134 1
1 871 . 6 1 1 A 67 67 ARG C C 67 178.691 178.628 0.063 1
1 872 . 6 1 1 A 67 67 ARG CA C 67 60.930 58.899 2.031 1
1 873 . 6 1 1 A 67 67 ARG CB C 67 31.240 30.115 1.125 1
1 876 . 6 1 1 A 67 67 ARG N N 67 121.922 122.116 -0.194 1
1 879 . 6 1 1 A 68 68 ARG H H 68 9.366 7.622 1.744 1
1 880 . 6 1 1 A 68 68 ARG HA H 68 4.282 4.077 0.205 1
1 887 . 6 1 1 A 68 68 ARG C C 68 178.681 178.958 -0.277 1
1 888 . 6 1 1 A 68 68 ARG CA C 68 59.410 58.402 1.008 1
1 889 . 6 1 1 A 68 68 ARG CB C 68 30.760 29.732 1.028 1
1 892 . 6 1 1 A 68 68 ARG N N 68 123.821 119.054 4.767 1
1 893 . 6 1 1 A 69 69 ALA H H 69 10.112 8.340 1.772 1
1 894 . 6 1 1 A 69 69 ALA HA H 69 3.800 4.136 -0.336 1
1 898 . 6 1 1 A 69 69 ALA C C 69 178.334 179.659 -1.325 1
1 899 . 6 1 1 A 69 69 ALA CA C 69 55.960 55.262 0.698 1
1 900 . 6 1 1 A 69 69 ALA CB C 69 17.730 18.648 -0.918 1
1 901 . 6 1 1 A 69 69 ALA N N 69 125.465 122.283 3.182 1
1 902 . 6 1 1 A 70 70 LEU H H 70 7.746 7.761 -0.015 1
1 903 . 6 1 1 A 70 70 LEU HA H 70 3.340 3.098 0.242 1
1 913 . 6 1 1 A 70 70 LEU C C 70 177.996 177.635 0.361 1
1 914 . 6 1 1 A 70 70 LEU CA C 70 57.950 57.765 0.185 1
1 915 . 6 1 1 A 70 70 LEU CB C 70 40.720 41.707 -0.987 1
1 919 . 6 1 1 A 70 70 LEU N N 70 118.427 119.154 -0.727 1
1 920 . 6 1 1 A 71 71 ASP H H 71 7.662 8.274 -0.612 1
1 921 . 6 1 1 A 71 71 ASP HA H 71 4.236 4.162 0.074 1
1 924 . 6 1 1 A 71 71 ASP C C 71 179.560 178.086 1.474 1
1 925 . 6 1 1 A 71 71 ASP CA C 71 57.880 57.762 0.118 1
1 926 . 6 1 1 A 71 71 ASP CB C 71 40.340 41.790 -1.450 1
1 927 . 6 1 1 A 71 71 ASP N N 71 120.180 118.705 1.475 1
1 928 . 6 1 1 A 72 72 ALA H H 72 8.796 7.863 0.933 1
1 929 . 6 1 1 A 72 72 ALA HA H 72 4.101 4.040 0.061 1
1 933 . 6 1 1 A 72 72 ALA C C 72 179.203 179.553 -0.350 1
1 934 . 6 1 1 A 72 72 ALA CA C 72 54.670 55.087 -0.417 1
1 935 . 6 1 1 A 72 72 ALA CB C 72 18.490 18.154 0.336 1
1 936 . 6 1 1 A 72 72 ALA N N 72 122.299 120.726 1.573 1
1 937 . 6 1 1 A 73 73 ALA H H 73 8.672 7.748 0.924 1
1 938 . 6 1 1 A 73 73 ALA HA H 73 3.758 4.088 -0.330 1
1 942 . 6 1 1 A 73 73 ALA C C 73 179.251 179.740 -0.489 1
1 943 . 6 1 1 A 73 73 ALA CA C 73 55.950 55.103 0.847 1
1 944 . 6 1 1 A 73 73 ALA CB C 73 17.660 18.125 -0.465 1
1 945 . 6 1 1 A 73 73 ALA N N 73 121.294 119.896 1.398 1
1 946 . 6 1 1 A 74 74 LYS H H 74 8.914 7.902 1.012 1
1 947 . 6 1 1 A 74 74 LYS HA H 74 3.790 3.825 -0.035 1
1 956 . 6 1 1 A 74 74 LYS C C 74 179.589 179.594 -0.005 1
1 957 . 6 1 1 A 74 74 LYS CA C 74 60.620 59.266 1.354 1
1 958 . 6 1 1 A 74 74 LYS CB C 74 32.330 32.243 0.087 1
1 962 . 6 1 1 A 74 74 LYS N N 74 119.404 118.057 1.347 1
1 963 . 6 1 1 A 75 75 SER H H 75 7.874 7.920 -0.046 1
1 964 . 6 1 1 A 75 75 SER HA H 75 4.272 4.118 0.154 1
1 967 . 6 1 1 A 75 75 SER C C 75 176.944 176.789 0.155 1
1 968 . 6 1 1 A 75 75 SER CA C 75 61.840 62.014 -0.174 1
1 969 . 6 1 1 A 75 75 SER CB C 75 62.990 62.645 0.345 1
1 970 . 6 1 1 A 75 75 SER N N 75 114.306 116.507 -2.201 1
1 971 . 6 1 1 A 76 76 MET H H 76 8.401 7.867 0.534 1
1 972 . 6 1 1 A 76 76 MET HA H 76 4.881 4.488 0.393 1
1 980 . 6 1 1 A 76 76 MET C C 76 179.811 178.787 1.024 1
1 981 . 6 1 1 A 76 76 MET CA C 76 56.060 58.120 -2.060 1
1 982 . 6 1 1 A 76 76 MET CB C 76 34.780 32.043 2.737 1
1 985 . 6 1 1 A 76 76 MET N N 76 119.510 120.292 -0.782 1
1 986 . 6 1 1 A 77 77 HIS H H 77 9.450 8.105 1.345 1
1 987 . 6 1 1 A 77 77 HIS HA H 77 5.148 4.729 0.419 1
1 992 . 6 1 1 A 77 77 HIS C C 77 181.596 177.926 3.670 1
1 993 . 6 1 1 A 77 77 HIS CA C 77 59.550 59.489 0.061 1
1 994 . 6 1 1 A 77 77 HIS CB C 77 30.720 29.678 1.042 1
1 997 . 6 1 1 A 77 77 HIS N N 77 123.245 118.015 5.230 1
1 998 . 6 1 1 A 78 78 GLU H H 78 7.832 8.065 -0.233 1
1 999 . 6 1 1 A 78 78 GLU HA H 78 4.159 4.007 0.152 1
1 1004 . 6 1 1 A 78 78 GLU C C 78 177.909 179.499 -1.590 1
1 1005 . 6 1 1 A 78 78 GLU CA C 78 59.110 59.068 0.042 1
1 1006 . 6 1 1 A 78 78 GLU CB C 78 29.380 29.273 0.107 1
1 1008 . 6 1 1 A 78 78 GLU N N 78 121.124 120.316 0.808 1
1 1009 . 6 1 1 A 79 79 LEU H H 79 7.161 7.282 -0.121 1
1 1010 . 6 1 1 A 79 79 LEU HA H 79 4.360 4.071 0.289 1
1 1020 . 6 1 1 A 79 79 LEU C C 79 176.934 176.555 0.379 1
1 1021 . 6 1 1 A 79 79 LEU CA C 79 54.820 55.920 -1.100 1
1 1022 . 6 1 1 A 79 79 LEU CB C 79 43.300 43.047 0.253 1
1 1026 . 6 1 1 A 79 79 LEU N N 79 116.655 118.200 -1.545 1
1 1027 . 6 1 1 A 80 80 GLY H H 80 7.545 7.300 0.245 1
1 1028 . 6 1 1 A 80 80 GLY HA2 H 80 4.101 3.840 0.261 1
1 1029 . 6 1 1 A 80 80 GLY HA3 H 80 3.580 3.933 -0.353 1
1 1030 . 6 1 1 A 80 80 GLY C C 80 174.116 174.401 -0.285 1
1 1031 . 6 1 1 A 80 80 GLY CA C 80 45.010 45.020 -0.010 1
1 1032 . 6 1 1 A 80 80 GLY N N 80 105.216 105.222 -0.006 1
1 1033 . 6 1 1 A 81 81 TYR H H 81 7.519 7.432 0.087 1
1 1034 . 6 1 1 A 81 81 TYR HA H 81 4.727 4.494 0.233 1
1 1041 . 6 1 1 A 81 81 TYR C C 81 174.377 175.160 -0.783 1
1 1042 . 6 1 1 A 81 81 TYR CA C 81 56.960 58.181 -1.221 1
1 1043 . 6 1 1 A 81 81 TYR CB C 81 40.310 39.063 1.247 1
1 1046 . 6 1 1 A 81 81 TYR N N 81 119.660 120.246 -0.586 1
1 1047 . 6 1 1 A 82 82 THR H H 82 8.786 8.715 0.071 1
1 1048 . 6 1 1 A 82 82 THR HA H 82 3.390 3.633 -0.243 1
1 1053 . 6 1 1 A 82 82 THR CA C 82 57.030 58.264 -1.234 1
1 1054 . 6 1 1 A 82 82 THR CB C 82 68.740 68.785 -0.045 1
1 1056 . 6 1 1 A 82 82 THR N N 82 105.368 113.667 -8.299 1
1 1057 . 6 1 1 A 83 83 PRO HA H 83 5.003 4.667 0.336 1
1 1064 . 6 1 1 A 83 83 PRO C C 83 175.699 176.587 -0.888 1
1 1065 . 6 1 1 A 83 83 PRO CA C 83 63.140 62.354 0.786 1
1 1066 . 6 1 1 A 83 83 PRO CB C 83 31.570 32.275 -0.705 1
1 1069 . 6 1 1 A 84 84 TYR H H 84 9.497 8.420 1.077 1
1 1070 . 6 1 1 A 84 84 TYR HA H 84 5.482 5.178 0.304 1
1 1077 . 6 1 1 A 84 84 TYR C C 84 175.506 175.088 0.418 1
1 1078 . 6 1 1 A 84 84 TYR CA C 84 57.570 57.801 -0.231 1
1 1079 . 6 1 1 A 84 84 TYR CB C 84 40.500 39.679 0.821 1
1 1082 . 6 1 1 A 84 84 TYR N N 84 119.880 121.008 -1.128 1
1 1083 . 6 1 1 A 85 85 TYR H H 85 8.570 8.239 0.331 1
1 1084 . 6 1 1 A 85 85 TYR HA H 85 5.730 5.435 0.295 1
1 1089 . 6 1 1 A 85 85 TYR C C 85 172.215 172.262 -0.047 1
1 1090 . 6 1 1 A 85 85 TYR CA C 85 55.240 56.249 -1.009 1
1 1091 . 6 1 1 A 85 85 TYR CB C 85 40.830 41.120 -0.290 1
1 1093 . 6 1 1 A 85 85 TYR N N 85 116.764 118.048 -1.284 1
1 1094 . 6 1 1 A 86 86 LEU H H 86 8.196 9.128 -0.932 1
1 1095 . 6 1 1 A 86 86 LEU HA H 86 4.881 5.106 -0.225 1
1 1105 . 6 1 1 A 86 86 LEU C C 86 177.552 174.756 2.796 1
1 1106 . 6 1 1 A 86 86 LEU CA C 86 53.376 53.802 -0.426 1
1 1107 . 6 1 1 A 86 86 LEU CB C 86 44.360 44.584 -0.224 1
1 1111 . 6 1 1 A 86 86 LEU N N 86 121.589 123.767 -2.178 1
1 1112 . 6 1 1 A 87 87 GLU H H 87 9.146 8.681 0.465 1
1 1113 . 6 1 1 A 87 87 GLU HA H 87 4.797 5.002 -0.205 1
1 1118 . 6 1 1 A 87 87 GLU C C 87 174.965 176.810 -1.845 1
1 1119 . 6 1 1 A 87 87 GLU CA C 87 55.405 55.623 -0.218 1
1 1120 . 6 1 1 A 87 87 GLU CB C 87 30.010 30.282 -0.272 1
1 1122 . 6 1 1 A 87 87 GLU N N 87 128.779 127.024 1.755 1
1 1123 . 6 1 1 A 88 88 GLY H H 88 7.349 8.439 -1.090 1
1 1124 . 6 1 1 A 88 88 GLY HA2 H 88 4.110 4.237 -0.127 1
1 1125 . 6 1 1 A 88 88 GLY HA3 H 88 4.023 4.298 -0.275 1
1 1126 . 6 1 1 A 88 88 GLY C C 88 170.593 171.970 -1.377 1
1 1127 . 6 1 1 A 88 88 GLY CA C 88 44.970 45.903 -0.933 1
1 1128 . 6 1 1 A 88 88 GLY N N 88 112.564 110.929 1.635 1
1 1129 . 6 1 1 A 89 89 ASN H H 89 8.756 8.661 0.095 1
1 1130 . 6 1 1 A 89 89 ASN HA H 89 5.722 4.959 0.763 1
1 1135 . 6 1 1 A 89 89 ASN C C 89 176.336 176.000 0.336 1
1 1136 . 6 1 1 A 89 89 ASN CA C 89 52.210 54.111 -1.901 1
1 1137 . 6 1 1 A 89 89 ASN CB C 89 40.950 38.440 2.510 1
1 1138 . 6 1 1 A 89 89 ASN N N 89 121.363 119.375 1.988 1
1 1140 . 6 1 1 A 90 90 VAL H H 90 8.928 8.551 0.377 1
1 1141 . 6 1 1 A 90 90 VAL HA H 90 4.425 2.314 2.111 1
1 1149 . 6 1 1 A 90 90 VAL C C 90 175.660 176.574 -0.914 1
1 1150 . 6 1 1 A 90 90 VAL CA C 90 58.930 64.403 -5.473 1
1 1151 . 6 1 1 A 90 90 VAL CB C 90 30.860 31.533 -0.673 1
1 1154 . 6 1 1 A 90 90 VAL N N 90 128.990 125.574 3.416 1
1 1155 . 6 1 1 A 91 91 TYR H H 91 8.330 8.052 0.278 1
1 1156 . 6 1 1 A 91 91 TYR HA H 91 4.016 4.124 -0.108 1
1 1163 . 6 1 1 A 91 91 TYR C C 91 175.718 177.704 -1.986 1
1 1164 . 6 1 1 A 91 91 TYR CA C 91 61.700 60.836 0.864 1
1 1165 . 6 1 1 A 91 91 TYR CB C 91 36.580 37.734 -1.154 1
1 1168 . 6 1 1 A 91 91 TYR N N 91 119.510 119.981 -0.471 1
1 1169 . 6 1 1 A 92 92 ASP H H 92 8.654 7.852 0.802 1
1 1170 . 6 1 1 A 92 92 ASP HA H 92 5.146 4.817 0.329 1
1 1173 . 6 1 1 A 92 92 ASP C C 92 177.224 178.561 -1.337 1
1 1174 . 6 1 1 A 92 92 ASP CA C 92 54.290 55.806 -1.516 1
1 1175 . 6 1 1 A 92 92 ASP CB C 92 42.670 40.845 1.825 1
1 1176 . 6 1 1 A 92 92 ASP N N 92 117.541 119.620 -2.079 1
1 1177 . 6 1 1 A 93 93 PHE H H 93 7.673 7.365 0.308 1
1 1178 . 6 1 1 A 93 93 PHE HA H 93 4.688 4.541 0.147 1
1 1186 . 6 1 1 A 93 93 PHE C C 93 179.270 178.681 0.589 1
1 1187 . 6 1 1 A 93 93 PHE CA C 93 60.340 61.935 -1.595 1
1 1188 . 6 1 1 A 93 93 PHE CB C 93 36.010 38.727 -2.717 1
1 1192 . 6 1 1 A 93 93 PHE N N 93 123.205 118.009 5.196 1
1 1193 . 6 1 1 A 94 94 GLU H H 94 9.164 8.223 0.941 1
1 1194 . 6 1 1 A 94 94 GLU HA H 94 4.676 4.106 0.570 1
1 1199 . 6 1 1 A 94 94 GLU C C 94 180.805 178.835 1.970 1
1 1200 . 6 1 1 A 94 94 GLU CA C 94 59.240 60.008 -0.768 1
1 1201 . 6 1 1 A 94 94 GLU CB C 94 29.640 29.397 0.243 1
1 1203 . 6 1 1 A 94 94 GLU N N 94 118.657 118.667 -0.010 1
1 1204 . 6 1 1 A 95 95 LYS H H 95 8.005 8.379 -0.374 1
1 1205 . 6 1 1 A 95 95 LYS HA H 95 4.103 4.195 -0.092 1
1 1214 . 6 1 1 A 95 95 LYS C C 95 177.948 177.498 0.450 1
1 1215 . 6 1 1 A 95 95 LYS CA C 95 58.680 58.819 -0.139 1
1 1216 . 6 1 1 A 95 95 LYS CB C 95 31.690 31.840 -0.150 1
1 1220 . 6 1 1 A 95 95 LYS N N 95 121.494 119.056 2.438 1
1 1221 . 6 1 1 A 96 96 TYR H H 96 7.710 7.674 0.036 1
1 1222 . 6 1 1 A 96 96 TYR HA H 96 4.332 4.613 -0.281 1
1 1229 . 6 1 1 A 96 96 TYR C C 96 174.550 175.795 -1.245 1
1 1230 . 6 1 1 A 96 96 TYR CA C 96 59.370 58.056 1.314 1
1 1231 . 6 1 1 A 96 96 TYR CB C 96 38.340 38.707 -0.367 1
1 1234 . 6 1 1 A 96 96 TYR N N 96 117.421 118.744 -1.323 1
1 1235 . 6 1 1 A 97 97 GLY H H 97 7.796 7.986 -0.190 1
1 1236 . 6 1 1 A 97 97 GLY HA2 H 97 3.966 3.739 0.227 1
1 1237 . 6 1 1 A 97 97 GLY HA3 H 97 3.580 3.882 -0.302 1
1 1238 . 6 1 1 A 97 97 GLY C C 97 173.662 174.119 -0.457 1
1 1239 . 6 1 1 A 97 97 GLY CA C 97 45.160 45.590 -0.430 1
1 1240 . 6 1 1 A 97 97 GLY N N 97 105.806 108.137 -2.331 1
1 1241 . 6 1 1 A 98 98 PHE H H 98 7.323 7.796 -0.473 1
1 1242 . 6 1 1 A 98 98 PHE HA H 98 4.644 4.778 -0.134 1
1 1250 . 6 1 1 A 98 98 PHE C C 98 173.353 175.111 -1.758 1
1 1251 . 6 1 1 A 98 98 PHE CA C 98 57.490 57.020 0.470 1
1 1252 . 6 1 1 A 98 98 PHE CB C 98 38.550 40.419 -1.869 1
1 1256 . 6 1 1 A 98 98 PHE N N 98 120.718 118.316 2.402 1
1 1257 . 6 1 1 A 99 99 ARG H H 99 7.903 8.774 -0.871 1
1 1258 . 6 1 1 A 99 99 ARG HA H 99 4.283 4.412 -0.129 1
1 1265 . 6 1 1 A 99 99 ARG C C 99 175.680 175.013 0.667 1
1 1266 . 6 1 1 A 99 99 ARG CA C 99 56.320 57.176 -0.856 1
1 1267 . 6 1 1 A 99 99 ARG CB C 99 30.610 31.158 -0.548 1
1 1270 . 6 1 1 A 99 99 ARG N N 99 122.817 125.779 -2.962 1
1 1271 . 6 1 1 A 100 100 MET H H 100 8.133 8.563 -0.430 1
1 1272 . 6 1 1 A 100 100 MET HA H 100 4.843 4.852 -0.009 1
1 1280 . 6 1 1 A 100 100 MET C C 100 175.255 174.305 0.950 1
1 1281 . 6 1 1 A 100 100 MET CA C 100 52.343 54.291 -1.948 1
1 1282 . 6 1 1 A 100 100 MET CB C 100 34.410 37.027 -2.617 1
1 1285 . 6 1 1 A 100 100 MET N N 100 121.483 125.564 -4.081 1
1 1286 . 6 1 1 A 101 101 VAL H H 101 8.471 8.562 -0.091 1
1 1287 . 6 1 1 A 101 101 VAL HA H 101 3.890 4.564 -0.674 1
1 1295 . 6 1 1 A 101 101 VAL C C 101 175.351 174.694 0.657 1
1 1296 . 6 1 1 A 101 101 VAL CA C 101 61.500 61.537 -0.037 1
1 1297 . 6 1 1 A 101 101 VAL CB C 101 31.730 32.093 -0.363 1
1 1300 . 6 1 1 A 101 101 VAL N N 101 119.940 122.177 -2.237 1
1 1301 . 6 1 1 A 102 102 TYR H H 102 8.612 8.936 -0.324 1
1 1302 . 6 1 1 A 102 102 TYR HA H 102 4.938 5.085 -0.147 1
1 1309 . 6 1 1 A 102 102 TYR C C 102 175.892 175.034 0.858 1
1 1310 . 6 1 1 A 102 102 TYR CA C 102 57.140 56.617 0.523 1
1 1311 . 6 1 1 A 102 102 TYR CB C 102 40.990 41.169 -0.179 1
1 1314 . 6 1 1 A 102 102 TYR N N 102 126.390 125.351 1.039 1
1 1315 . 6 1 1 A 103 103 ASP H H 103 8.071 8.659 -0.588 1
1 1316 . 6 1 1 A 103 103 ASP HA H 103 4.621 4.299 0.322 1
1 1319 . 6 1 1 A 103 103 ASP C C 103 176.220 175.488 0.732 1
1 1320 . 6 1 1 A 103 103 ASP CA C 103 55.050 55.164 -0.114 1
1 1321 . 6 1 1 A 103 103 ASP CB C 103 40.220 39.023 1.197 1
1 1322 . 6 1 1 A 103 103 ASP N N 103 120.738 118.853 1.885 1
1 1323 . 6 1 1 A 104 104 ASP H H 104 8.642 8.199 0.443 1
1 1324 . 6 1 1 A 104 104 ASP HA H 104 4.730 4.206 0.524 1
1 1327 . 6 1 1 A 104 104 ASP C C 104 176.095 176.633 -0.538 1
1 1328 . 6 1 1 A 104 104 ASP CA C 104 53.510 57.055 -3.545 1
1 1329 . 6 1 1 A 104 104 ASP CB C 104 41.060 40.447 0.613 1
1 1330 . 6 1 1 A 104 104 ASP N N 104 121.582 117.023 4.559 1
1 1331 . 6 1 1 A 105 105 THR H H 105 8.119 7.892 0.227 1
1 1332 . 6 1 1 A 105 105 THR HA H 105 4.389 4.258 0.131 1
1 1337 . 6 1 1 A 105 105 THR C C 105 173.508 174.553 -1.045 1
1 1338 . 6 1 1 A 105 105 THR CA C 105 61.580 64.530 -2.950 1
1 1339 . 6 1 1 A 105 105 THR CB C 105 69.840 68.268 1.572 1
1 1341 . 6 1 1 A 105 105 THR N N 105 113.632 112.639 0.993 1
1 1342 . 6 1 1 A 106 106 CYS H H 106 8.013 7.976 0.037 1
1 1343 . 6 1 1 A 106 106 CYS N N 106 129.098 121.688 7.410 1
1 1344 . 6 1 1 A 107 107 ASP HA H 107 4.606 4.804 -0.198 1
1 1347 . 6 1 1 A 107 107 ASP C C 107 176.075 174.489 1.586 1
1 1348 . 6 1 1 A 107 107 ASP CA C 107 54.790 54.884 -0.094 1
1 1349 . 6 1 1 A 107 107 ASP CB C 107 40.990 39.964 1.026 1
1 1350 . 6 1 1 A 108 108 LYS H H 108 8.216 8.656 -0.440 1
1 1351 . 6 1 1 A 108 108 LYS HA H 108 4.326 4.443 -0.117 1
1 1360 . 6 1 1 A 108 108 LYS C C 108 176.490 176.544 -0.054 1
1 1361 . 6 1 1 A 108 108 LYS CA C 108 56.140 56.236 -0.096 1
1 1362 . 6 1 1 A 108 108 LYS CB C 108 32.910 32.577 0.333 1
1 1366 . 6 1 1 A 108 108 LYS N N 108 121.982 124.748 -2.766 1
1 1367 . 6 1 1 A 109 109 LYS H H 109 8.411 8.755 -0.344 1
1 1368 . 6 1 1 A 109 109 LYS HA H 109 4.344 4.664 -0.320 1
1 1377 . 6 1 1 A 109 109 LYS C C 109 175.583 176.247 -0.664 1
1 1378 . 6 1 1 A 109 109 LYS CA C 109 56.150 56.761 -0.611 1
1 1379 . 6 1 1 A 109 109 LYS CB C 109 33.050 35.025 -1.975 1
1 1383 . 6 1 1 A 109 109 LYS N N 109 122.966 122.357 0.609 1
1 14 . 7 1 1 A 2 2 LEU H H 2 8.858 7.751 1.107 1
1 15 . 7 1 1 A 2 2 LEU HA H 2 4.010 4.258 -0.248 1
1 25 . 7 1 1 A 2 2 LEU C C 2 179.512 178.446 1.066 1
1 26 . 7 1 1 A 2 2 LEU CA C 2 57.230 55.923 1.307 1
1 27 . 7 1 1 A 2 2 LEU CB C 2 41.500 40.845 0.655 1
1 31 . 7 1 1 A 2 2 LEU N N 2 124.589 117.336 7.253 1
1 32 . 7 1 1 A 3 3 GLU H H 3 9.299 9.173 0.126 1
1 33 . 7 1 1 A 3 3 GLU HA H 3 4.234 4.242 -0.008 1
1 38 . 7 1 1 A 3 3 GLU C C 3 178.189 177.539 0.650 1
1 39 . 7 1 1 A 3 3 GLU CA C 3 59.930 58.477 1.453 1
1 40 . 7 1 1 A 3 3 GLU CB C 3 28.810 27.965 0.845 1
1 42 . 7 1 1 A 3 3 GLU N N 3 118.833 122.154 -3.321 1
1 43 . 7 1 1 A 4 4 ASP H H 4 8.188 7.812 0.376 1
1 44 . 7 1 1 A 4 4 ASP HA H 4 4.524 4.451 0.073 1
1 47 . 7 1 1 A 4 4 ASP C C 4 176.722 177.326 -0.604 1
1 48 . 7 1 1 A 4 4 ASP CA C 4 56.240 55.616 0.624 1
1 49 . 7 1 1 A 4 4 ASP CB C 4 39.910 41.334 -1.424 1
1 50 . 7 1 1 A 4 4 ASP N N 4 118.286 119.679 -1.393 1
1 51 . 7 1 1 A 5 5 TYR H H 5 8.336 8.044 0.292 1
1 52 . 7 1 1 A 5 5 TYR HA H 5 4.284 4.874 -0.590 1
1 59 . 7 1 1 A 5 5 TYR C C 5 172.456 175.624 -3.168 1
1 60 . 7 1 1 A 5 5 TYR CA C 5 58.770 57.876 0.894 1
1 61 . 7 1 1 A 5 5 TYR CB C 5 37.820 38.372 -0.552 1
1 64 . 7 1 1 A 5 5 TYR N N 5 119.641 116.122 3.519 1
1 65 . 7 1 1 A 6 6 ALA H H 6 6.748 7.301 -0.553 1
1 66 . 7 1 1 A 6 6 ALA HA H 6 3.470 3.366 0.104 1
1 70 . 7 1 1 A 6 6 ALA C C 6 178.122 176.407 1.715 1
1 71 . 7 1 1 A 6 6 ALA CA C 6 51.440 51.211 0.229 1
1 72 . 7 1 1 A 6 6 ALA CB C 6 19.600 19.501 0.099 1
1 73 . 7 1 1 A 6 6 ALA N N 6 122.727 123.043 -0.316 1
1 74 . 7 1 1 A 7 7 ILE H H 7 8.665 8.390 0.275 1
1 75 . 7 1 1 A 7 7 ILE HA H 7 4.303 4.624 -0.321 1
1 85 . 7 1 1 A 7 7 ILE C C 7 174.386 174.756 -0.370 1
1 86 . 7 1 1 A 7 7 ILE CA C 7 58.640 59.865 -1.225 1
1 87 . 7 1 1 A 7 7 ILE CB C 7 39.820 39.949 -0.129 1
1 91 . 7 1 1 A 7 7 ILE N N 7 124.318 124.296 0.022 1
1 92 . 7 1 1 A 8 8 SER H H 8 8.884 8.891 -0.007 1
1 93 . 7 1 1 A 8 8 SER HA H 8 4.881 4.622 0.259 1
1 96 . 7 1 1 A 8 8 SER C C 8 176.268 175.558 0.710 1
1 97 . 7 1 1 A 8 8 SER CA C 8 57.157 57.462 -0.305 1
1 98 . 7 1 1 A 8 8 SER CB C 8 64.390 64.974 -0.584 1
1 99 . 7 1 1 A 8 8 SER N N 8 122.739 121.961 0.778 1
1 100 . 7 1 1 A 9 9 LEU H H 9 8.077 8.210 -0.133 1
1 101 . 7 1 1 A 9 9 LEU HA H 9 3.652 3.901 -0.249 1
1 111 . 7 1 1 A 9 9 LEU C C 9 175.322 178.441 -3.119 1
1 112 . 7 1 1 A 9 9 LEU CA C 9 57.190 58.315 -1.125 1
1 113 . 7 1 1 A 9 9 LEU CB C 9 42.290 41.244 1.046 1
1 117 . 7 1 1 A 9 9 LEU N N 9 126.321 127.874 -1.553 1
1 118 . 7 1 1 A 10 10 GLU H H 10 8.361 9.635 -1.274 1
1 119 . 7 1 1 A 10 10 GLU HA H 10 3.754 4.437 -0.683 1
1 124 . 7 1 1 A 10 10 GLU C C 10 176.452 177.308 -0.856 1
1 125 . 7 1 1 A 10 10 GLU CA C 10 58.470 58.362 0.108 1
1 126 . 7 1 1 A 10 10 GLU CB C 10 29.480 27.998 1.482 1
1 128 . 7 1 1 A 10 10 GLU N N 10 112.911 118.314 -5.403 1
1 129 . 7 1 1 A 11 11 GLU H H 11 7.284 8.011 -0.727 1
1 130 . 7 1 1 A 11 11 GLU HA H 11 4.531 4.529 0.002 1
1 135 . 7 1 1 A 11 11 GLU C C 11 176.539 176.137 0.402 1
1 136 . 7 1 1 A 11 11 GLU CA C 11 55.240 56.210 -0.970 1
1 137 . 7 1 1 A 11 11 GLU CB C 11 32.160 30.541 1.619 1
1 139 . 7 1 1 A 11 11 GLU N N 11 114.276 115.907 -1.631 1
1 140 . 7 1 1 A 12 12 VAL H H 12 7.077 7.308 -0.231 1
1 141 . 7 1 1 A 12 12 VAL HA H 12 3.677 3.962 -0.285 1
1 149 . 7 1 1 A 12 12 VAL C C 12 173.900 174.576 -0.676 1
1 150 . 7 1 1 A 12 12 VAL CA C 12 62.510 62.114 0.396 1
1 151 . 7 1 1 A 12 12 VAL CB C 12 31.920 32.314 -0.394 1
1 154 . 7 1 1 A 12 12 VAL N N 12 121.932 121.317 0.615 1
1 155 . 7 1 1 A 13 13 ASN H H 13 7.996 8.642 -0.646 1
1 156 . 7 1 1 A 13 13 ASN HA H 13 4.840 5.313 -0.473 1
1 161 . 7 1 1 A 13 13 ASN C C 13 176.876 175.205 1.671 1
1 162 . 7 1 1 A 13 13 ASN CA C 13 52.168 51.752 0.416 1
1 163 . 7 1 1 A 13 13 ASN CB C 13 38.500 39.657 -1.157 1
1 164 . 7 1 1 A 13 13 ASN N N 13 121.232 125.374 -4.142 1
1 166 . 7 1 1 A 14 14 PHE H H 14 6.268 7.685 -1.417 1
1 167 . 7 1 1 A 14 14 PHE HA H 14 3.868 4.181 -0.313 1
1 175 . 7 1 1 A 14 14 PHE C C 14 176.423 177.955 -1.532 1
1 176 . 7 1 1 A 14 14 PHE CA C 14 62.520 60.435 2.085 1
1 177 . 7 1 1 A 14 14 PHE CB C 14 38.780 38.586 0.194 1
1 181 . 7 1 1 A 14 14 PHE N N 14 120.637 121.707 -1.070 1
1 182 . 7 1 1 A 15 15 ASN H H 15 8.184 8.378 -0.194 1
1 183 . 7 1 1 A 15 15 ASN HA H 15 4.602 4.645 -0.043 1
1 188 . 7 1 1 A 15 15 ASN C C 15 175.738 176.813 -1.075 1
1 189 . 7 1 1 A 15 15 ASN CA C 15 55.240 55.556 -0.316 1
1 190 . 7 1 1 A 15 15 ASN CB C 15 38.270 38.130 0.140 1
1 191 . 7 1 1 A 15 15 ASN N N 15 113.599 117.135 -3.536 1
1 193 . 7 1 1 A 16 16 ASP H H 16 7.680 7.669 0.011 1
1 194 . 7 1 1 A 16 16 ASP HA H 16 4.450 4.259 0.191 1
1 197 . 7 1 1 A 16 16 ASP C C 16 174.589 175.092 -0.503 1
1 198 . 7 1 1 A 16 16 ASP CA C 16 54.860 55.716 -0.856 1
1 199 . 7 1 1 A 16 16 ASP CB C 16 41.140 41.420 -0.280 1
1 200 . 7 1 1 A 16 16 ASP N N 16 117.808 119.310 -1.502 1
1 201 . 7 1 1 A 17 17 PHE H H 17 7.648 7.389 0.259 1
1 202 . 7 1 1 A 17 17 PHE HA H 17 4.788 5.086 -0.298 1
1 210 . 7 1 1 A 17 17 PHE C C 17 175.516 175.835 -0.319 1
1 211 . 7 1 1 A 17 17 PHE CA C 17 56.790 56.783 0.007 1
1 212 . 7 1 1 A 17 17 PHE CB C 17 44.090 41.487 2.603 1
1 216 . 7 1 1 A 17 17 PHE N N 17 116.207 115.834 0.373 1
1 217 . 7 1 1 A 18 18 ILE H H 18 8.674 9.029 -0.355 1
1 218 . 7 1 1 A 18 18 ILE HA H 18 4.335 4.458 -0.123 1
1 228 . 7 1 1 A 18 18 ILE C C 18 175.612 175.950 -0.338 1
1 229 . 7 1 1 A 18 18 ILE CA C 18 60.930 61.635 -0.705 1
1 230 . 7 1 1 A 18 18 ILE CB C 18 37.620 37.395 0.225 1
1 234 . 7 1 1 A 18 18 ILE N N 18 121.498 123.540 -2.042 1
1 235 . 7 1 1 A 19 19 VAL H H 19 9.009 8.355 0.654 1
1 236 . 7 1 1 A 19 19 VAL HA H 19 4.760 4.532 0.228 1
1 244 . 7 1 1 A 19 19 VAL C C 19 175.622 175.428 0.194 1
1 245 . 7 1 1 A 19 19 VAL CA C 19 62.974 62.215 0.759 1
1 246 . 7 1 1 A 19 19 VAL CB C 19 32.770 32.314 0.456 1
1 249 . 7 1 1 A 19 19 VAL N N 19 129.378 128.674 0.704 1
1 250 . 7 1 1 A 20 20 VAL H H 20 9.606 8.897 0.709 1
1 251 . 7 1 1 A 20 20 VAL HA H 20 4.581 4.567 0.014 1
1 259 . 7 1 1 A 20 20 VAL C C 20 172.234 174.690 -2.456 1
1 260 . 7 1 1 A 20 20 VAL CA C 20 60.660 60.779 -0.119 1
1 261 . 7 1 1 A 20 20 VAL CB C 20 33.910 35.269 -1.359 1
1 264 . 7 1 1 A 20 20 VAL N N 20 131.965 126.414 5.551 1
1 265 . 7 1 1 A 21 21 ASP H H 21 8.367 8.878 -0.511 1
1 266 . 7 1 1 A 21 21 ASP HA H 21 4.105 4.363 -0.258 1
1 269 . 7 1 1 A 21 21 ASP C C 21 176.182 175.319 0.863 1
1 270 . 7 1 1 A 21 21 ASP CA C 21 50.850 53.349 -2.499 1
1 271 . 7 1 1 A 21 21 ASP CB C 21 43.460 40.899 2.561 1
1 272 . 7 1 1 A 21 21 ASP N N 21 129.516 127.757 1.759 1
1 273 . 7 1 1 A 22 22 VAL H H 22 8.095 7.923 0.172 1
1 274 . 7 1 1 A 22 22 VAL HA H 22 5.720 4.892 0.828 1
1 282 . 7 1 1 A 22 22 VAL C C 22 178.006 174.723 3.283 1
1 283 . 7 1 1 A 22 22 VAL CA C 22 58.990 61.225 -2.235 1
1 284 . 7 1 1 A 22 22 VAL CB C 22 30.150 31.289 -1.139 1
1 287 . 7 1 1 A 22 22 VAL N N 22 114.833 120.590 -5.757 1
1 288 . 7 1 1 A 23 23 ARG H H 23 7.467 8.056 -0.589 1
1 289 . 7 1 1 A 23 23 ARG HA H 23 4.358 4.549 -0.191 1
1 299 . 7 1 1 A 23 23 ARG C C 23 172.157 175.989 -3.832 1
1 300 . 7 1 1 A 23 23 ARG CA C 23 56.190 56.390 -0.200 1
1 301 . 7 1 1 A 23 23 ARG CB C 23 31.230 32.062 -0.832 1
1 304 . 7 1 1 A 23 23 ARG N N 23 120.418 124.882 -4.464 1
1 307 . 7 1 1 A 24 24 GLU H H 24 7.372 7.761 -0.389 1
1 308 . 7 1 1 A 24 24 GLU HA H 24 4.454 4.961 -0.507 1
1 313 . 7 1 1 A 24 24 GLU C C 24 178.807 176.382 2.425 1
1 314 . 7 1 1 A 24 24 GLU CA C 24 53.870 54.724 -0.854 1
1 315 . 7 1 1 A 24 24 GLU CB C 24 31.610 33.717 -2.107 1
1 317 . 7 1 1 A 24 24 GLU N N 24 111.001 115.787 -4.786 1
1 318 . 7 1 1 A 25 25 LEU H H 25 8.842 8.427 0.415 1
1 319 . 7 1 1 A 25 25 LEU HA H 25 3.922 3.967 -0.045 1
1 329 . 7 1 1 A 25 25 LEU C C 25 177.591 177.678 -0.087 1
1 330 . 7 1 1 A 25 25 LEU CA C 25 58.800 58.107 0.693 1
1 331 . 7 1 1 A 25 25 LEU CB C 25 42.000 41.180 0.820 1
1 335 . 7 1 1 A 25 25 LEU N N 25 122.468 125.647 -3.179 1
1 336 . 7 1 1 A 26 26 ASP H H 26 8.671 8.177 0.494 1
1 337 . 7 1 1 A 26 26 ASP HA H 26 4.389 4.615 -0.226 1
1 340 . 7 1 1 A 26 26 ASP C C 26 178.739 178.092 0.647 1
1 341 . 7 1 1 A 26 26 ASP CA C 26 56.540 57.658 -1.118 1
1 342 . 7 1 1 A 26 26 ASP CB C 26 39.570 42.375 -2.805 1
1 343 . 7 1 1 A 26 26 ASP N N 26 114.189 119.081 -4.892 1
1 344 . 7 1 1 A 27 27 GLU H H 27 7.235 7.795 -0.560 1
1 345 . 7 1 1 A 27 27 GLU HA H 27 4.304 4.183 0.121 1
1 350 . 7 1 1 A 27 27 GLU C C 27 177.678 178.354 -0.676 1
1 351 . 7 1 1 A 27 27 GLU CA C 27 58.830 58.423 0.407 1
1 352 . 7 1 1 A 27 27 GLU CB C 27 30.650 29.211 1.439 1
1 354 . 7 1 1 A 27 27 GLU N N 27 120.618 118.880 1.738 1
1 355 . 7 1 1 A 28 28 TYR H H 28 7.703 7.879 -0.176 1
1 356 . 7 1 1 A 28 28 TYR HA H 28 4.149 4.047 0.102 1
1 363 . 7 1 1 A 28 28 TYR C C 28 177.108 178.057 -0.949 1
1 364 . 7 1 1 A 28 28 TYR CA C 28 60.600 61.054 -0.454 1
1 365 . 7 1 1 A 28 28 TYR CB C 28 39.300 38.587 0.713 1
1 370 . 7 1 1 A 28 28 TYR N N 28 121.871 122.931 -1.060 1
1 371 . 7 1 1 A 29 29 GLU H H 29 8.727 8.226 0.501 1
1 372 . 7 1 1 A 29 29 GLU HA H 29 3.823 4.118 -0.295 1
1 377 . 7 1 1 A 29 29 GLU C C 29 177.456 178.828 -1.372 1
1 378 . 7 1 1 A 29 29 GLU CA C 29 58.770 59.911 -1.141 1
1 379 . 7 1 1 A 29 29 GLU CB C 29 29.880 29.659 0.221 1
1 381 . 7 1 1 A 29 29 GLU N N 29 116.326 118.465 -2.139 1
1 382 . 7 1 1 A 30 30 GLU H H 30 7.225 8.061 -0.836 1
1 383 . 7 1 1 A 30 30 GLU HA H 30 4.219 4.181 0.038 1
1 388 . 7 1 1 A 30 30 GLU C C 30 177.012 176.351 0.661 1
1 389 . 7 1 1 A 30 30 GLU CA C 30 59.750 59.230 0.520 1
1 390 . 7 1 1 A 30 30 GLU CB C 30 29.310 29.220 0.090 1
1 392 . 7 1 1 A 30 30 GLU N N 30 119.394 117.890 1.504 1
1 393 . 7 1 1 A 31 31 LEU H H 31 7.512 7.031 0.481 1
1 394 . 7 1 1 A 31 31 LEU HA H 31 5.102 4.466 0.636 1
1 404 . 7 1 1 A 31 31 LEU C C 31 173.363 174.501 -1.138 1
1 405 . 7 1 1 A 31 31 LEU CA C 31 55.760 53.560 2.200 1
1 406 . 7 1 1 A 31 31 LEU CB C 31 42.880 43.633 -0.753 1
1 410 . 7 1 1 A 31 31 LEU N N 31 118.039 116.649 1.390 1
1 411 . 7 1 1 A 32 32 HIS H H 32 8.196 8.216 -0.020 1
1 412 . 7 1 1 A 32 32 HIS HA H 32 4.433 4.992 -0.559 1
1 417 . 7 1 1 A 32 32 HIS C C 32 171.973 172.918 -0.945 1
1 418 . 7 1 1 A 32 32 HIS CA C 32 54.660 54.164 0.496 1
1 419 . 7 1 1 A 32 32 HIS CB C 32 31.500 31.237 0.263 1
1 422 . 7 1 1 A 32 32 HIS N N 32 114.425 115.309 -0.884 1
1 423 . 7 1 1 A 33 33 LEU H H 33 10.099 8.635 1.464 1
1 424 . 7 1 1 A 33 33 LEU HA H 33 4.745 4.111 0.634 1
1 434 . 7 1 1 A 33 33 LEU CA C 33 53.423 53.401 0.022 1
1 435 . 7 1 1 A 33 33 LEU CB C 33 42.750 41.313 1.437 1
1 439 . 7 1 1 A 33 33 LEU N N 33 124.819 120.828 3.991 1
1 440 . 7 1 1 A 34 34 PRO HA H 34 4.328 4.380 -0.052 1
1 447 . 7 1 1 A 34 34 PRO C C 34 177.012 178.035 -1.023 1
1 448 . 7 1 1 A 34 34 PRO CA C 34 64.440 64.662 -0.222 1
1 449 . 7 1 1 A 34 34 PRO CB C 34 31.660 32.014 -0.354 1
1 452 . 7 1 1 A 35 35 ASN H H 35 8.736 8.532 0.204 1
1 453 . 7 1 1 A 35 35 ASN HA H 35 4.701 4.894 -0.193 1
1 458 . 7 1 1 A 35 35 ASN C C 35 174.801 175.456 -0.655 1
1 459 . 7 1 1 A 35 35 ASN CA C 35 53.470 53.103 0.367 1
1 460 . 7 1 1 A 35 35 ASN CB C 35 37.650 39.111 -1.461 1
1 461 . 7 1 1 A 35 35 ASN N N 35 113.231 115.534 -2.303 1
1 463 . 7 1 1 A 36 36 ALA H H 36 7.434 7.368 0.066 1
1 464 . 7 1 1 A 36 36 ALA HA H 36 4.523 4.452 0.071 1
1 468 . 7 1 1 A 36 36 ALA C C 36 177.494 177.482 0.012 1
1 469 . 7 1 1 A 36 36 ALA CA C 36 52.700 51.918 0.782 1
1 470 . 7 1 1 A 36 36 ALA CB C 36 21.760 20.209 1.551 1
1 471 . 7 1 1 A 36 36 ALA N N 36 122.419 123.448 -1.029 1
1 472 . 7 1 1 A 37 37 THR H H 37 8.334 8.729 -0.395 1
1 473 . 7 1 1 A 37 37 THR HA H 37 4.184 4.550 -0.366 1
1 479 . 7 1 1 A 37 37 THR C C 37 172.359 173.604 -1.245 1
1 480 . 7 1 1 A 37 37 THR CA C 37 63.020 63.104 -0.084 1
1 481 . 7 1 1 A 37 37 THR CB C 37 69.800 69.488 0.312 1
1 483 . 7 1 1 A 37 37 THR N N 37 121.183 118.958 2.225 1
1 484 . 7 1 1 A 38 38 LEU H H 38 8.306 8.554 -0.248 1
1 485 . 7 1 1 A 38 38 LEU HA H 38 4.815 4.598 0.217 1
1 495 . 7 1 1 A 38 38 LEU C C 38 176.529 174.916 1.613 1
1 496 . 7 1 1 A 38 38 LEU CA C 38 53.873 54.466 -0.593 1
1 497 . 7 1 1 A 38 38 LEU CB C 38 41.830 42.337 -0.507 1
1 501 . 7 1 1 A 38 38 LEU N N 38 130.981 129.701 1.280 1
1 502 . 7 1 1 A 39 39 ILE H H 39 8.612 8.040 0.572 1
1 503 . 7 1 1 A 39 39 ILE HA H 39 3.779 4.604 -0.825 1
1 513 . 7 1 1 A 39 39 ILE C C 39 172.186 174.769 -2.583 1
1 514 . 7 1 1 A 39 39 ILE CA C 39 62.040 60.008 2.032 1
1 515 . 7 1 1 A 39 39 ILE CB C 39 40.360 42.015 -1.655 1
1 519 . 7 1 1 A 39 39 ILE N N 39 131.100 129.134 1.966 1
1 520 . 7 1 1 A 40 40 SER H H 40 8.123 8.983 -0.860 1
1 521 . 7 1 1 A 40 40 SER HA H 40 3.904 4.409 -0.505 1
1 524 . 7 1 1 A 40 40 SER C C 40 177.629 175.101 2.528 1
1 525 . 7 1 1 A 40 40 SER CA C 40 58.810 59.639 -0.829 1
1 526 . 7 1 1 A 40 40 SER CB C 40 63.090 63.374 -0.284 1
1 527 . 7 1 1 A 40 40 SER N N 40 118.068 123.196 -5.128 1
1 528 . 7 1 1 A 41 41 VAL H H 41 7.739 8.580 -0.841 1
1 529 . 7 1 1 A 41 41 VAL HA H 41 3.913 3.886 0.027 1
1 537 . 7 1 1 A 41 41 VAL C C 41 174.714 177.685 -2.971 1
1 538 . 7 1 1 A 41 41 VAL CA C 41 58.990 64.833 -5.843 1
1 539 . 7 1 1 A 41 41 VAL CB C 41 31.730 31.742 -0.012 1
1 542 . 7 1 1 A 41 41 VAL N N 41 124.290 127.208 -2.918 1
1 543 . 7 1 1 A 42 42 ASN H H 42 8.344 8.095 0.249 1
1 544 . 7 1 1 A 42 42 ASN HA H 42 4.630 4.482 0.148 1
1 549 . 7 1 1 A 42 42 ASN C C 42 175.699 176.212 -0.513 1
1 550 . 7 1 1 A 42 42 ASN CA C 42 54.860 56.547 -1.687 1
1 551 . 7 1 1 A 42 42 ASN CB C 42 38.610 38.193 0.417 1
1 552 . 7 1 1 A 42 42 ASN N N 42 116.715 119.224 -2.509 1
1 554 . 7 1 1 A 43 43 ASP H H 43 8.417 7.614 0.803 1
1 555 . 7 1 1 A 43 43 ASP HA H 43 5.021 4.862 0.159 1
1 558 . 7 1 1 A 43 43 ASP C C 43 175.699 176.049 -0.350 1
1 559 . 7 1 1 A 43 43 ASP CA C 43 52.300 52.939 -0.639 1
1 560 . 7 1 1 A 43 43 ASP CB C 43 39.540 38.841 0.699 1
1 561 . 7 1 1 A 43 43 ASP N N 43 125.038 119.189 5.849 1
1 562 . 7 1 1 A 44 44 GLN H H 44 7.762 8.085 -0.323 1
1 563 . 7 1 1 A 44 44 GLN HA H 44 3.815 4.068 -0.253 1
1 570 . 7 1 1 A 44 44 GLN C C 44 178.430 177.853 0.577 1
1 571 . 7 1 1 A 44 44 GLN CA C 44 59.650 58.958 0.692 1
1 572 . 7 1 1 A 44 44 GLN CB C 44 28.760 28.206 0.554 1
1 574 . 7 1 1 A 44 44 GLN N N 44 119.490 123.051 -3.561 1
1 576 . 7 1 1 A 45 45 GLU H H 45 8.705 8.396 0.309 1
1 577 . 7 1 1 A 45 45 GLU HA H 45 4.059 4.067 -0.008 1
1 582 . 7 1 1 A 45 45 GLU C C 45 178.739 178.861 -0.122 1
1 583 . 7 1 1 A 45 45 GLU CA C 45 59.660 59.394 0.266 1
1 584 . 7 1 1 A 45 45 GLU CB C 45 28.900 29.176 -0.276 1
1 586 . 7 1 1 A 45 45 GLU N N 45 119.373 118.537 0.836 1
1 587 . 7 1 1 A 46 46 LYS H H 46 7.545 7.761 -0.216 1
1 588 . 7 1 1 A 46 46 LYS HA H 46 4.119 4.165 -0.046 1
1 597 . 7 1 1 A 46 46 LYS C C 46 179.579 179.111 0.468 1
1 598 . 7 1 1 A 46 46 LYS CA C 46 58.940 59.080 -0.140 1
1 599 . 7 1 1 A 46 46 LYS CB C 46 32.750 31.984 0.766 1
1 603 . 7 1 1 A 46 46 LYS N N 46 120.645 119.931 0.714 1
1 604 . 7 1 1 A 47 47 LEU H H 47 8.005 7.774 0.231 1
1 605 . 7 1 1 A 47 47 LEU HA H 47 4.059 3.961 0.098 1
1 615 . 7 1 1 A 47 47 LEU C C 47 177.436 178.871 -1.435 1
1 616 . 7 1 1 A 47 47 LEU CA C 47 58.090 57.837 0.253 1
1 617 . 7 1 1 A 47 47 LEU CB C 47 41.150 41.576 -0.426 1
1 621 . 7 1 1 A 47 47 LEU N N 47 122.201 119.900 2.301 1
1 622 . 7 1 1 A 48 48 ALA H H 48 8.239 8.553 -0.314 1
1 623 . 7 1 1 A 48 48 ALA HA H 48 3.733 3.806 -0.073 1
1 627 . 7 1 1 A 48 48 ALA C C 48 179.347 178.811 0.536 1
1 628 . 7 1 1 A 48 48 ALA CA C 48 55.420 55.303 0.117 1
1 629 . 7 1 1 A 48 48 ALA CB C 48 18.240 17.651 0.589 1
1 630 . 7 1 1 A 48 48 ALA N N 48 121.483 122.365 -0.882 1
1 631 . 7 1 1 A 49 49 ASP H H 49 8.001 8.018 -0.017 1
1 632 . 7 1 1 A 49 49 ASP HA H 49 4.308 4.333 -0.025 1
1 635 . 7 1 1 A 49 49 ASP C C 49 179.106 178.127 0.979 1
1 636 . 7 1 1 A 49 49 ASP CA C 49 57.350 57.126 0.224 1
1 637 . 7 1 1 A 49 49 ASP CB C 49 41.250 41.478 -0.228 1
1 638 . 7 1 1 A 49 49 ASP N N 49 117.231 118.662 -1.431 1
1 639 . 7 1 1 A 50 50 PHE H H 50 8.265 8.147 0.118 1
1 640 . 7 1 1 A 50 50 PHE HA H 50 4.101 4.087 0.014 1
1 647 . 7 1 1 A 50 50 PHE C C 50 179.048 176.959 2.089 1
1 648 . 7 1 1 A 50 50 PHE CA C 50 62.590 61.207 1.383 1
1 649 . 7 1 1 A 50 50 PHE CB C 50 39.810 39.352 0.458 1
1 651 . 7 1 1 A 50 50 PHE N N 50 122.379 120.365 2.014 1
1 652 . 7 1 1 A 51 51 LEU H H 51 8.653 7.742 0.911 1
1 653 . 7 1 1 A 51 51 LEU HA H 51 3.789 3.815 -0.026 1
1 663 . 7 1 1 A 51 51 LEU C C 51 180.400 178.677 1.723 1
1 664 . 7 1 1 A 51 51 LEU CA C 51 58.140 56.732 1.408 1
1 665 . 7 1 1 A 51 51 LEU CB C 51 38.770 41.292 -2.522 1
1 669 . 7 1 1 A 51 51 LEU N N 51 120.277 119.122 1.155 1
1 670 . 7 1 1 A 52 52 SER H H 52 8.332 7.710 0.622 1
1 671 . 7 1 1 A 52 52 SER HA H 52 4.160 4.320 -0.160 1
1 674 . 7 1 1 A 52 52 SER C C 52 176.220 176.826 -0.606 1
1 675 . 7 1 1 A 52 52 SER CA C 52 61.840 60.969 0.871 1
1 676 . 7 1 1 A 52 52 SER CB C 52 62.850 62.890 -0.040 1
1 677 . 7 1 1 A 52 52 SER N N 52 115.630 114.711 0.919 1
1 678 . 7 1 1 A 53 53 GLN H H 53 7.405 7.642 -0.237 1
1 679 . 7 1 1 A 53 53 GLN HA H 53 4.092 4.037 0.055 1
1 686 . 7 1 1 A 53 53 GLN C C 53 176.046 176.057 -0.011 1
1 687 . 7 1 1 A 53 53 GLN CA C 53 56.560 58.509 -1.949 1
1 688 . 7 1 1 A 53 53 GLN CB C 53 28.580 29.073 -0.493 1
1 690 . 7 1 1 A 53 53 GLN N N 53 119.056 117.958 1.098 1
1 692 . 7 1 1 A 54 54 HIS H H 54 7.311 7.702 -0.391 1
1 693 . 7 1 1 A 54 54 HIS HA H 54 4.754 4.927 -0.173 1
1 696 . 7 1 1 A 54 54 HIS C C 54 175.467 174.973 0.494 1
1 697 . 7 1 1 A 54 54 HIS CA C 54 55.562 54.503 1.059 1
1 698 . 7 1 1 A 54 54 HIS CB C 54 29.650 32.629 -2.979 1
1 699 . 7 1 1 A 54 54 HIS N N 54 117.800 115.745 2.055 1
1 700 . 7 1 1 A 55 55 LYS H H 55 7.646 8.550 -0.904 1
1 701 . 7 1 1 A 55 55 LYS HA H 55 4.296 4.260 0.036 1
1 710 . 7 1 1 A 55 55 LYS C C 55 176.741 176.710 0.031 1
1 711 . 7 1 1 A 55 55 LYS CA C 55 58.710 57.903 0.807 1
1 712 . 7 1 1 A 55 55 LYS CB C 55 32.370 32.976 -0.606 1
1 716 . 7 1 1 A 55 55 LYS N N 55 119.903 122.561 -2.658 1
1 717 . 7 1 1 A 56 56 ASP H H 56 8.853 7.884 0.969 1
1 718 . 7 1 1 A 56 56 ASP HA H 56 4.655 4.775 -0.120 1
1 721 . 7 1 1 A 56 56 ASP C C 56 175.158 174.628 0.530 1
1 722 . 7 1 1 A 56 56 ASP CA C 56 53.930 53.582 0.348 1
1 723 . 7 1 1 A 56 56 ASP CB C 56 40.220 39.419 0.801 1
1 724 . 7 1 1 A 56 56 ASP N N 56 116.429 117.990 -1.561 1
1 725 . 7 1 1 A 57 57 LYS H H 57 7.655 7.944 -0.289 1
1 726 . 7 1 1 A 57 57 LYS HA H 57 4.701 5.077 -0.376 1
1 735 . 7 1 1 A 57 57 LYS C C 57 175.236 174.972 0.264 1
1 736 . 7 1 1 A 57 57 LYS CA C 57 53.830 54.940 -1.110 1
1 737 . 7 1 1 A 57 57 LYS CB C 57 35.550 35.956 -0.406 1
1 741 . 7 1 1 A 57 57 LYS N N 57 119.510 118.896 0.614 1
1 742 . 7 1 1 A 58 58 LYS H H 58 8.265 8.421 -0.156 1
1 743 . 7 1 1 A 58 58 LYS HA H 58 4.745 4.942 -0.197 1
1 752 . 7 1 1 A 58 58 LYS C C 58 175.651 176.100 -0.449 1
1 753 . 7 1 1 A 58 58 LYS CA C 58 56.870 56.568 0.302 1
1 754 . 7 1 1 A 58 58 LYS CB C 58 33.250 33.177 0.073 1
1 758 . 7 1 1 A 58 58 LYS N N 58 120.091 121.774 -1.683 1
1 759 . 7 1 1 A 59 59 VAL H H 59 9.233 9.236 -0.003 1
1 760 . 7 1 1 A 59 59 VAL HA H 59 5.231 5.462 -0.231 1
1 768 . 7 1 1 A 59 59 VAL C C 59 173.556 174.122 -0.566 1
1 769 . 7 1 1 A 59 59 VAL CA C 59 60.930 61.214 -0.284 1
1 770 . 7 1 1 A 59 59 VAL CB C 59 34.300 35.082 -0.782 1
1 772 . 7 1 1 A 59 59 VAL N N 59 127.047 124.727 2.320 1
1 773 . 7 1 1 A 60 60 LEU H H 60 9.228 8.846 0.382 1
1 774 . 7 1 1 A 60 60 LEU HA H 60 4.815 5.039 -0.224 1
1 784 . 7 1 1 A 60 60 LEU C C 60 173.421 175.084 -1.663 1
1 785 . 7 1 1 A 60 60 LEU CA C 60 52.586 53.613 -1.027 1
1 786 . 7 1 1 A 60 60 LEU CB C 60 45.660 44.048 1.612 1
1 790 . 7 1 1 A 60 60 LEU N N 60 129.197 129.868 -0.671 1
1 791 . 7 1 1 A 61 61 LEU H H 61 9.055 8.810 0.245 1
1 792 . 7 1 1 A 61 61 LEU HA H 61 5.713 4.768 0.945 1
1 802 . 7 1 1 A 61 61 LEU C C 61 176.683 176.620 0.063 1
1 803 . 7 1 1 A 61 61 LEU CA C 61 52.760 54.525 -1.765 1
1 804 . 7 1 1 A 61 61 LEU CB C 61 43.220 40.912 2.308 1
1 808 . 7 1 1 A 61 61 LEU N N 61 125.903 128.001 -2.098 1
1 809 . 7 1 1 A 62 62 HIS H H 62 9.148 9.020 0.128 1
1 810 . 7 1 1 A 62 62 HIS HA H 62 5.440 5.433 0.007 1
1 816 . 7 1 1 A 62 62 HIS C C 62 172.301 173.716 -1.415 1
1 817 . 7 1 1 A 62 62 HIS CA C 62 54.580 54.176 0.404 1
1 818 . 7 1 1 A 62 62 HIS CB C 62 33.980 31.524 2.456 1
1 821 . 7 1 1 A 62 62 HIS N N 62 119.183 122.073 -2.890 1
1 823 . 7 1 1 A 63 63 CYS H H 63 9.389 8.208 1.181 1
1 824 . 7 1 1 A 63 63 CYS HA H 63 5.021 4.751 0.270 1
1 827 . 7 1 1 A 63 63 CYS C C 63 177.649 175.282 2.367 1
1 828 . 7 1 1 A 63 63 CYS CA C 63 56.460 57.327 -0.867 1
1 829 . 7 1 1 A 63 63 CYS CB C 63 29.400 30.721 -1.321 1
1 830 . 7 1 1 A 63 63 CYS N N 63 120.896 120.049 0.847 1
1 831 . 7 1 1 A 64 64 ARG H H 64 8.658 8.790 -0.132 1
1 832 . 7 1 1 A 64 64 ARG HA H 64 4.425 3.809 0.616 1
1 839 . 7 1 1 A 64 64 ARG C C 64 174.724 177.571 -2.847 1
1 840 . 7 1 1 A 64 64 ARG CA C 64 59.000 59.520 -0.520 1
1 841 . 7 1 1 A 64 64 ARG CB C 64 30.820 29.816 1.004 1
1 844 . 7 1 1 A 64 64 ARG N N 64 130.651 126.490 4.161 1
1 845 . 7 1 1 A 65 65 ALA H H 65 8.166 7.379 0.787 1
1 846 . 7 1 1 A 65 65 ALA HA H 65 5.399 4.404 0.995 1
1 850 . 7 1 1 A 65 65 ALA C C 65 177.909 177.314 0.595 1
1 851 . 7 1 1 A 65 65 ALA CA C 65 52.020 53.525 -1.505 1
1 852 . 7 1 1 A 65 65 ALA CB C 65 20.270 20.564 -0.294 1
1 853 . 7 1 1 A 65 65 ALA N N 65 118.548 119.650 -1.102 1
1 854 . 7 1 1 A 66 66 GLY H H 66 9.300 7.134 2.166 1
1 855 . 7 1 1 A 66 66 GLY HA2 H 66 4.872 4.092 0.780 1
1 856 . 7 1 1 A 66 66 GLY HA3 H 66 4.450 4.111 0.339 1
1 857 . 7 1 1 A 66 66 GLY C C 66 176.761 174.846 1.915 1
1 858 . 7 1 1 A 66 66 GLY CA C 66 46.630 45.582 1.048 1
1 859 . 7 1 1 A 66 66 GLY N N 66 114.644 106.159 8.485 1
1 860 . 7 1 1 A 67 67 ARG H H 67 8.118 8.043 0.075 1
1 861 . 7 1 1 A 67 67 ARG HA H 67 4.141 4.035 0.106 1
1 871 . 7 1 1 A 67 67 ARG C C 67 178.691 178.804 -0.113 1
1 872 . 7 1 1 A 67 67 ARG CA C 67 60.930 58.583 2.347 1
1 873 . 7 1 1 A 67 67 ARG CB C 67 31.240 29.685 1.555 1
1 876 . 7 1 1 A 67 67 ARG N N 67 121.922 122.190 -0.268 1
1 879 . 7 1 1 A 68 68 ARG H H 68 9.366 7.966 1.400 1
1 880 . 7 1 1 A 68 68 ARG HA H 68 4.282 3.998 0.284 1
1 887 . 7 1 1 A 68 68 ARG C C 68 178.681 178.994 -0.313 1
1 888 . 7 1 1 A 68 68 ARG CA C 68 59.410 58.953 0.457 1
1 889 . 7 1 1 A 68 68 ARG CB C 68 30.760 29.740 1.020 1
1 892 . 7 1 1 A 68 68 ARG N N 68 123.821 119.236 4.585 1
1 893 . 7 1 1 A 69 69 ALA H H 69 10.112 8.102 2.010 1
1 894 . 7 1 1 A 69 69 ALA HA H 69 3.800 4.075 -0.275 1
1 898 . 7 1 1 A 69 69 ALA C C 69 178.334 179.796 -1.462 1
1 899 . 7 1 1 A 69 69 ALA CA C 69 55.960 55.200 0.760 1
1 900 . 7 1 1 A 69 69 ALA CB C 69 17.730 18.766 -1.036 1
1 901 . 7 1 1 A 69 69 ALA N N 69 125.465 122.062 3.403 1
1 902 . 7 1 1 A 70 70 LEU H H 70 7.746 7.742 0.004 1
1 903 . 7 1 1 A 70 70 LEU HA H 70 3.340 2.974 0.366 1
1 913 . 7 1 1 A 70 70 LEU C C 70 177.996 177.777 0.219 1
1 914 . 7 1 1 A 70 70 LEU CA C 70 57.950 57.737 0.213 1
1 915 . 7 1 1 A 70 70 LEU CB C 70 40.720 41.598 -0.878 1
1 919 . 7 1 1 A 70 70 LEU N N 70 118.427 119.430 -1.003 1
1 920 . 7 1 1 A 71 71 ASP H H 71 7.662 8.403 -0.741 1
1 921 . 7 1 1 A 71 71 ASP HA H 71 4.236 4.139 0.097 1
1 924 . 7 1 1 A 71 71 ASP C C 71 179.560 177.976 1.584 1
1 925 . 7 1 1 A 71 71 ASP CA C 71 57.880 57.964 -0.084 1
1 926 . 7 1 1 A 71 71 ASP CB C 71 40.340 41.795 -1.455 1
1 927 . 7 1 1 A 71 71 ASP N N 71 120.180 118.782 1.398 1
1 928 . 7 1 1 A 72 72 ALA H H 72 8.796 7.859 0.937 1
1 929 . 7 1 1 A 72 72 ALA HA H 72 4.101 3.981 0.120 1
1 933 . 7 1 1 A 72 72 ALA C C 72 179.203 180.001 -0.798 1
1 934 . 7 1 1 A 72 72 ALA CA C 72 54.670 55.221 -0.551 1
1 935 . 7 1 1 A 72 72 ALA CB C 72 18.490 18.455 0.035 1
1 936 . 7 1 1 A 72 72 ALA N N 72 122.299 120.746 1.553 1
1 937 . 7 1 1 A 73 73 ALA H H 73 8.672 7.746 0.926 1
1 938 . 7 1 1 A 73 73 ALA HA H 73 3.758 4.096 -0.338 1
1 942 . 7 1 1 A 73 73 ALA C C 73 179.251 179.652 -0.401 1
1 943 . 7 1 1 A 73 73 ALA CA C 73 55.950 55.040 0.910 1
1 944 . 7 1 1 A 73 73 ALA CB C 73 17.660 18.036 -0.376 1
1 945 . 7 1 1 A 73 73 ALA N N 73 121.294 119.949 1.345 1
1 946 . 7 1 1 A 74 74 LYS H H 74 8.914 7.975 0.939 1
1 947 . 7 1 1 A 74 74 LYS HA H 74 3.790 3.857 -0.067 1
1 956 . 7 1 1 A 74 74 LYS C C 74 179.589 179.645 -0.056 1
1 957 . 7 1 1 A 74 74 LYS CA C 74 60.620 59.291 1.329 1
1 958 . 7 1 1 A 74 74 LYS CB C 74 32.330 32.240 0.090 1
1 962 . 7 1 1 A 74 74 LYS N N 74 119.404 117.996 1.408 1
1 963 . 7 1 1 A 75 75 SER H H 75 7.874 7.901 -0.027 1
1 964 . 7 1 1 A 75 75 SER HA H 75 4.272 4.130 0.142 1
1 967 . 7 1 1 A 75 75 SER C C 75 176.944 176.904 0.040 1
1 968 . 7 1 1 A 75 75 SER CA C 75 61.840 61.917 -0.077 1
1 969 . 7 1 1 A 75 75 SER CB C 75 62.990 62.721 0.269 1
1 970 . 7 1 1 A 75 75 SER N N 75 114.306 116.477 -2.171 1
1 971 . 7 1 1 A 76 76 MET H H 76 8.401 7.948 0.453 1
1 972 . 7 1 1 A 76 76 MET HA H 76 4.881 4.229 0.652 1
1 980 . 7 1 1 A 76 76 MET C C 76 179.811 179.035 0.776 1
1 981 . 7 1 1 A 76 76 MET CA C 76 56.060 58.901 -2.841 1
1 982 . 7 1 1 A 76 76 MET CB C 76 34.780 33.093 1.687 1
1 985 . 7 1 1 A 76 76 MET N N 76 119.510 119.877 -0.367 1
1 986 . 7 1 1 A 77 77 HIS H H 77 9.450 8.188 1.262 1
1 987 . 7 1 1 A 77 77 HIS HA H 77 5.148 4.778 0.370 1
1 992 . 7 1 1 A 77 77 HIS C C 77 181.596 177.969 3.627 1
1 993 . 7 1 1 A 77 77 HIS CA C 77 59.550 59.366 0.184 1
1 994 . 7 1 1 A 77 77 HIS CB C 77 30.720 29.753 0.967 1
1 997 . 7 1 1 A 77 77 HIS N N 77 123.245 117.775 5.470 1
1 998 . 7 1 1 A 78 78 GLU H H 78 7.832 8.401 -0.569 1
1 999 . 7 1 1 A 78 78 GLU HA H 78 4.159 4.146 0.013 1
1 1004 . 7 1 1 A 78 78 GLU C C 78 177.909 177.940 -0.031 1
1 1005 . 7 1 1 A 78 78 GLU CA C 78 59.110 59.152 -0.042 1
1 1006 . 7 1 1 A 78 78 GLU CB C 78 29.380 29.287 0.093 1
1 1008 . 7 1 1 A 78 78 GLU N N 78 121.124 119.374 1.750 1
1 1009 . 7 1 1 A 79 79 LEU H H 79 7.161 7.367 -0.206 1
1 1010 . 7 1 1 A 79 79 LEU HA H 79 4.360 4.250 0.110 1
1 1020 . 7 1 1 A 79 79 LEU C C 79 176.934 176.822 0.112 1
1 1021 . 7 1 1 A 79 79 LEU CA C 79 54.820 55.028 -0.208 1
1 1022 . 7 1 1 A 79 79 LEU CB C 79 43.300 42.544 0.756 1
1 1026 . 7 1 1 A 79 79 LEU N N 79 116.655 118.294 -1.639 1
1 1027 . 7 1 1 A 80 80 GLY H H 80 7.545 7.652 -0.107 1
1 1028 . 7 1 1 A 80 80 GLY HA2 H 80 4.101 3.695 0.406 1
1 1029 . 7 1 1 A 80 80 GLY HA3 H 80 3.580 3.792 -0.212 1
1 1030 . 7 1 1 A 80 80 GLY C C 80 174.116 174.164 -0.048 1
1 1031 . 7 1 1 A 80 80 GLY CA C 80 45.010 44.991 0.019 1
1 1032 . 7 1 1 A 80 80 GLY N N 80 105.216 105.847 -0.631 1
1 1033 . 7 1 1 A 81 81 TYR H H 81 7.519 7.532 -0.013 1
1 1034 . 7 1 1 A 81 81 TYR HA H 81 4.727 4.487 0.240 1
1 1041 . 7 1 1 A 81 81 TYR C C 81 174.377 174.622 -0.245 1
1 1042 . 7 1 1 A 81 81 TYR CA C 81 56.960 58.073 -1.113 1
1 1043 . 7 1 1 A 81 81 TYR CB C 81 40.310 39.476 0.834 1
1 1046 . 7 1 1 A 81 81 TYR N N 81 119.660 120.104 -0.444 1
1 1047 . 7 1 1 A 82 82 THR H H 82 8.786 8.677 0.109 1
1 1048 . 7 1 1 A 82 82 THR HA H 82 3.390 3.627 -0.237 1
1 1053 . 7 1 1 A 82 82 THR CA C 82 57.030 58.218 -1.188 1
1 1054 . 7 1 1 A 82 82 THR CB C 82 68.740 68.640 0.100 1
1 1056 . 7 1 1 A 82 82 THR N N 82 105.368 113.774 -8.406 1
1 1057 . 7 1 1 A 83 83 PRO HA H 83 5.003 4.625 0.378 1
1 1064 . 7 1 1 A 83 83 PRO C C 83 175.699 175.778 -0.079 1
1 1065 . 7 1 1 A 83 83 PRO CA C 83 63.140 62.313 0.827 1
1 1066 . 7 1 1 A 83 83 PRO CB C 83 31.570 32.367 -0.797 1
1 1069 . 7 1 1 A 84 84 TYR H H 84 9.497 8.368 1.129 1
1 1070 . 7 1 1 A 84 84 TYR HA H 84 5.482 5.190 0.292 1
1 1077 . 7 1 1 A 84 84 TYR C C 84 175.506 175.118 0.388 1
1 1078 . 7 1 1 A 84 84 TYR CA C 84 57.570 57.765 -0.195 1
1 1079 . 7 1 1 A 84 84 TYR CB C 84 40.500 40.339 0.161 1
1 1082 . 7 1 1 A 84 84 TYR N N 84 119.880 119.629 0.251 1
1 1083 . 7 1 1 A 85 85 TYR H H 85 8.570 8.473 0.097 1
1 1084 . 7 1 1 A 85 85 TYR HA H 85 5.730 5.646 0.084 1
1 1089 . 7 1 1 A 85 85 TYR C C 85 172.215 172.431 -0.216 1
1 1090 . 7 1 1 A 85 85 TYR CA C 85 55.240 55.768 -0.528 1
1 1091 . 7 1 1 A 85 85 TYR CB C 85 40.830 42.110 -1.280 1
1 1093 . 7 1 1 A 85 85 TYR N N 85 116.764 118.147 -1.383 1
1 1094 . 7 1 1 A 86 86 LEU H H 86 8.196 8.957 -0.761 1
1 1095 . 7 1 1 A 86 86 LEU HA H 86 4.881 5.082 -0.201 1
1 1105 . 7 1 1 A 86 86 LEU C C 86 177.552 174.562 2.990 1
1 1106 . 7 1 1 A 86 86 LEU CA C 86 53.376 53.671 -0.295 1
1 1107 . 7 1 1 A 86 86 LEU CB C 86 44.360 45.456 -1.096 1
1 1111 . 7 1 1 A 86 86 LEU N N 86 121.589 123.687 -2.098 1
1 1112 . 7 1 1 A 87 87 GLU H H 87 9.146 8.508 0.638 1
1 1113 . 7 1 1 A 87 87 GLU HA H 87 4.797 4.968 -0.171 1
1 1118 . 7 1 1 A 87 87 GLU C C 87 174.965 176.775 -1.810 1
1 1119 . 7 1 1 A 87 87 GLU CA C 87 55.405 55.617 -0.212 1
1 1120 . 7 1 1 A 87 87 GLU CB C 87 30.010 30.409 -0.399 1
1 1122 . 7 1 1 A 87 87 GLU N N 87 128.779 126.730 2.049 1
1 1123 . 7 1 1 A 88 88 GLY H H 88 7.349 8.418 -1.069 1
1 1124 . 7 1 1 A 88 88 GLY HA2 H 88 4.110 4.279 -0.169 1
1 1125 . 7 1 1 A 88 88 GLY HA3 H 88 4.023 4.400 -0.377 1
1 1126 . 7 1 1 A 88 88 GLY C C 88 170.593 171.914 -1.321 1
1 1127 . 7 1 1 A 88 88 GLY CA C 88 44.970 46.019 -1.049 1
1 1128 . 7 1 1 A 88 88 GLY N N 88 112.564 111.007 1.557 1
1 1129 . 7 1 1 A 89 89 ASN H H 89 8.756 8.583 0.173 1
1 1130 . 7 1 1 A 89 89 ASN HA H 89 5.722 5.212 0.510 1
1 1135 . 7 1 1 A 89 89 ASN C C 89 176.336 176.053 0.283 1
1 1136 . 7 1 1 A 89 89 ASN CA C 89 52.210 53.946 -1.736 1
1 1137 . 7 1 1 A 89 89 ASN CB C 89 40.950 38.287 2.663 1
1 1138 . 7 1 1 A 89 89 ASN N N 89 121.363 119.571 1.792 1
1 1140 . 7 1 1 A 90 90 VAL H H 90 8.928 8.032 0.896 1
1 1141 . 7 1 1 A 90 90 VAL HA H 90 4.425 2.017 2.408 1
1 1149 . 7 1 1 A 90 90 VAL C C 90 175.660 176.396 -0.736 1
1 1150 . 7 1 1 A 90 90 VAL CA C 90 58.930 63.796 -4.866 1
1 1151 . 7 1 1 A 90 90 VAL CB C 90 30.860 31.308 -0.448 1
1 1154 . 7 1 1 A 90 90 VAL N N 90 128.990 125.313 3.677 1
1 1155 . 7 1 1 A 91 91 TYR H H 91 8.330 7.466 0.864 1
1 1156 . 7 1 1 A 91 91 TYR HA H 91 4.016 4.246 -0.230 1
1 1163 . 7 1 1 A 91 91 TYR C C 91 175.718 177.671 -1.953 1
1 1164 . 7 1 1 A 91 91 TYR CA C 91 61.700 61.752 -0.052 1
1 1165 . 7 1 1 A 91 91 TYR CB C 91 36.580 37.521 -0.941 1
1 1168 . 7 1 1 A 91 91 TYR N N 91 119.510 119.040 0.470 1
1 1169 . 7 1 1 A 92 92 ASP H H 92 8.654 7.924 0.730 1
1 1170 . 7 1 1 A 92 92 ASP HA H 92 5.146 4.765 0.381 1
1 1173 . 7 1 1 A 92 92 ASP C C 92 177.224 179.069 -1.845 1
1 1174 . 7 1 1 A 92 92 ASP CA C 92 54.290 56.158 -1.868 1
1 1175 . 7 1 1 A 92 92 ASP CB C 92 42.670 40.624 2.046 1
1 1176 . 7 1 1 A 92 92 ASP N N 92 117.541 120.511 -2.970 1
1 1177 . 7 1 1 A 93 93 PHE H H 93 7.673 7.679 -0.006 1
1 1178 . 7 1 1 A 93 93 PHE HA H 93 4.688 4.453 0.235 1
1 1186 . 7 1 1 A 93 93 PHE C C 93 179.270 178.379 0.891 1
1 1187 . 7 1 1 A 93 93 PHE CA C 93 60.340 61.755 -1.415 1
1 1188 . 7 1 1 A 93 93 PHE CB C 93 36.010 38.473 -2.463 1
1 1192 . 7 1 1 A 93 93 PHE N N 93 123.205 117.842 5.363 1
1 1193 . 7 1 1 A 94 94 GLU H H 94 9.164 8.463 0.701 1
1 1194 . 7 1 1 A 94 94 GLU HA H 94 4.676 4.495 0.181 1
1 1199 . 7 1 1 A 94 94 GLU C C 94 180.805 179.614 1.191 1
1 1200 . 7 1 1 A 94 94 GLU CA C 94 59.240 59.923 -0.683 1
1 1201 . 7 1 1 A 94 94 GLU CB C 94 29.640 29.260 0.380 1
1 1203 . 7 1 1 A 94 94 GLU N N 94 118.657 119.615 -0.958 1
1 1204 . 7 1 1 A 95 95 LYS H H 95 8.005 8.378 -0.373 1
1 1205 . 7 1 1 A 95 95 LYS HA H 95 4.103 4.217 -0.114 1
1 1214 . 7 1 1 A 95 95 LYS C C 95 177.948 178.101 -0.153 1
1 1215 . 7 1 1 A 95 95 LYS CA C 95 58.680 58.807 -0.127 1
1 1216 . 7 1 1 A 95 95 LYS CB C 95 31.690 31.746 -0.056 1
1 1220 . 7 1 1 A 95 95 LYS N N 95 121.494 119.297 2.197 1
1 1221 . 7 1 1 A 96 96 TYR H H 96 7.710 7.914 -0.204 1
1 1222 . 7 1 1 A 96 96 TYR HA H 96 4.332 4.583 -0.251 1
1 1229 . 7 1 1 A 96 96 TYR C C 96 174.550 175.714 -1.164 1
1 1230 . 7 1 1 A 96 96 TYR CA C 96 59.370 58.532 0.838 1
1 1231 . 7 1 1 A 96 96 TYR CB C 96 38.340 38.927 -0.587 1
1 1234 . 7 1 1 A 96 96 TYR N N 96 117.421 118.684 -1.263 1
1 1235 . 7 1 1 A 97 97 GLY H H 97 7.796 7.721 0.075 1
1 1236 . 7 1 1 A 97 97 GLY HA2 H 97 3.966 3.889 0.077 1
1 1237 . 7 1 1 A 97 97 GLY HA3 H 97 3.580 4.017 -0.437 1
1 1238 . 7 1 1 A 97 97 GLY C C 97 173.662 174.760 -1.098 1
1 1239 . 7 1 1 A 97 97 GLY CA C 97 45.160 45.177 -0.017 1
1 1240 . 7 1 1 A 97 97 GLY N N 97 105.806 106.300 -0.494 1
1 1241 . 7 1 1 A 98 98 PHE H H 98 7.323 7.692 -0.369 1
1 1242 . 7 1 1 A 98 98 PHE HA H 98 4.644 4.495 0.149 1
1 1250 . 7 1 1 A 98 98 PHE C C 98 173.353 175.462 -2.109 1
1 1251 . 7 1 1 A 98 98 PHE CA C 98 57.490 58.028 -0.538 1
1 1252 . 7 1 1 A 98 98 PHE CB C 98 38.550 38.300 0.250 1
1 1256 . 7 1 1 A 98 98 PHE N N 98 120.718 119.773 0.945 1
1 1257 . 7 1 1 A 99 99 ARG H H 99 7.903 8.516 -0.613 1
1 1258 . 7 1 1 A 99 99 ARG HA H 99 4.283 4.282 0.001 1
1 1265 . 7 1 1 A 99 99 ARG C C 99 175.680 176.157 -0.477 1
1 1266 . 7 1 1 A 99 99 ARG CA C 99 56.320 56.314 0.006 1
1 1267 . 7 1 1 A 99 99 ARG CB C 99 30.610 30.528 0.082 1
1 1270 . 7 1 1 A 99 99 ARG N N 99 122.817 123.786 -0.969 1
1 1271 . 7 1 1 A 100 100 MET H H 100 8.133 8.785 -0.652 1
1 1272 . 7 1 1 A 100 100 MET HA H 100 4.843 4.822 0.021 1
1 1280 . 7 1 1 A 100 100 MET C C 100 175.255 174.351 0.904 1
1 1281 . 7 1 1 A 100 100 MET CA C 100 52.343 54.567 -2.224 1
1 1282 . 7 1 1 A 100 100 MET CB C 100 34.410 36.976 -2.566 1
1 1285 . 7 1 1 A 100 100 MET N N 100 121.483 120.207 1.276 1
1 1286 . 7 1 1 A 101 101 VAL H H 101 8.471 8.654 -0.183 1
1 1287 . 7 1 1 A 101 101 VAL HA H 101 3.890 4.614 -0.724 1
1 1295 . 7 1 1 A 101 101 VAL C C 101 175.351 175.138 0.213 1
1 1296 . 7 1 1 A 101 101 VAL CA C 101 61.500 61.124 0.376 1
1 1297 . 7 1 1 A 101 101 VAL CB C 101 31.730 32.085 -0.355 1
1 1300 . 7 1 1 A 101 101 VAL N N 101 119.940 123.231 -3.291 1
1 1301 . 7 1 1 A 102 102 TYR H H 102 8.612 8.976 -0.364 1
1 1302 . 7 1 1 A 102 102 TYR HA H 102 4.938 4.809 0.129 1
1 1309 . 7 1 1 A 102 102 TYR C C 102 175.892 175.634 0.258 1
1 1310 . 7 1 1 A 102 102 TYR CA C 102 57.140 57.903 -0.763 1
1 1311 . 7 1 1 A 102 102 TYR CB C 102 40.990 40.183 0.807 1
1 1314 . 7 1 1 A 102 102 TYR N N 102 126.390 126.756 -0.366 1
1 1315 . 7 1 1 A 103 103 ASP H H 103 8.071 8.681 -0.610 1
1 1316 . 7 1 1 A 103 103 ASP HA H 103 4.621 4.252 0.369 1
1 1319 . 7 1 1 A 103 103 ASP C C 103 176.220 174.297 1.923 1
1 1320 . 7 1 1 A 103 103 ASP CA C 103 55.050 55.593 -0.543 1
1 1321 . 7 1 1 A 103 103 ASP CB C 103 40.220 39.402 0.818 1
1 1322 . 7 1 1 A 103 103 ASP N N 103 120.738 118.151 2.587 1
1 1323 . 7 1 1 A 104 104 ASP H H 104 8.642 7.609 1.033 1
1 1324 . 7 1 1 A 104 104 ASP HA H 104 4.730 4.676 0.054 1
1 1327 . 7 1 1 A 104 104 ASP C C 104 176.095 176.392 -0.297 1
1 1328 . 7 1 1 A 104 104 ASP CA C 104 53.510 52.725 0.785 1
1 1329 . 7 1 1 A 104 104 ASP CB C 104 41.060 39.180 1.880 1
1 1330 . 7 1 1 A 104 104 ASP N N 104 121.582 119.227 2.355 1
1 1331 . 7 1 1 A 105 105 THR H H 105 8.119 8.015 0.104 1
1 1332 . 7 1 1 A 105 105 THR HA H 105 4.389 4.439 -0.050 1
1 1337 . 7 1 1 A 105 105 THR C C 105 173.508 174.619 -1.111 1
1 1338 . 7 1 1 A 105 105 THR CA C 105 61.580 63.790 -2.210 1
1 1339 . 7 1 1 A 105 105 THR CB C 105 69.840 69.001 0.839 1
1 1341 . 7 1 1 A 105 105 THR N N 105 113.632 117.449 -3.817 1
1 1342 . 7 1 1 A 106 106 CYS H H 106 8.013 7.771 0.242 1
1 1343 . 7 1 1 A 106 106 CYS N N 106 129.098 118.017 11.081 1
1 1344 . 7 1 1 A 107 107 ASP HA H 107 4.606 4.726 -0.120 1
1 1347 . 7 1 1 A 107 107 ASP C C 107 176.075 176.481 -0.406 1
1 1348 . 7 1 1 A 107 107 ASP CA C 107 54.790 53.546 1.244 1
1 1349 . 7 1 1 A 107 107 ASP CB C 107 40.990 40.352 0.638 1
1 1350 . 7 1 1 A 108 108 LYS H H 108 8.216 8.004 0.212 1
1 1351 . 7 1 1 A 108 108 LYS HA H 108 4.326 4.130 0.196 1
1 1360 . 7 1 1 A 108 108 LYS C C 108 176.490 175.617 0.873 1
1 1361 . 7 1 1 A 108 108 LYS CA C 108 56.140 58.283 -2.143 1
1 1362 . 7 1 1 A 108 108 LYS CB C 108 32.910 32.150 0.760 1
1 1366 . 7 1 1 A 108 108 LYS N N 108 121.982 117.833 4.149 1
1 1367 . 7 1 1 A 109 109 LYS H H 109 8.411 7.667 0.744 1
1 1368 . 7 1 1 A 109 109 LYS HA H 109 4.344 4.877 -0.533 1
1 1377 . 7 1 1 A 109 109 LYS C C 109 175.583 174.244 1.339 1
1 1378 . 7 1 1 A 109 109 LYS CA C 109 56.150 54.443 1.707 1
1 1379 . 7 1 1 A 109 109 LYS CB C 109 33.050 36.151 -3.101 1
1 1383 . 7 1 1 A 109 109 LYS N N 109 122.966 116.733 6.233 1
1 14 . 8 1 1 A 2 2 LEU H H 2 8.858 7.794 1.064 1
1 15 . 8 1 1 A 2 2 LEU HA H 2 4.010 4.039 -0.029 1
1 25 . 8 1 1 A 2 2 LEU C C 2 179.512 178.571 0.941 1
1 26 . 8 1 1 A 2 2 LEU CA C 2 57.230 56.018 1.212 1
1 27 . 8 1 1 A 2 2 LEU CB C 2 41.500 40.969 0.531 1
1 31 . 8 1 1 A 2 2 LEU N N 2 124.589 116.634 7.955 1
1 32 . 8 1 1 A 3 3 GLU H H 3 9.299 9.022 0.277 1
1 33 . 8 1 1 A 3 3 GLU HA H 3 4.234 4.350 -0.116 1
1 38 . 8 1 1 A 3 3 GLU C C 3 178.189 177.717 0.472 1
1 39 . 8 1 1 A 3 3 GLU CA C 3 59.930 58.662 1.268 1
1 40 . 8 1 1 A 3 3 GLU CB C 3 28.810 28.651 0.159 1
1 42 . 8 1 1 A 3 3 GLU N N 3 118.833 121.984 -3.151 1
1 43 . 8 1 1 A 4 4 ASP H H 4 8.188 8.232 -0.044 1
1 44 . 8 1 1 A 4 4 ASP HA H 4 4.524 4.476 0.048 1
1 47 . 8 1 1 A 4 4 ASP C C 4 176.722 177.564 -0.842 1
1 48 . 8 1 1 A 4 4 ASP CA C 4 56.240 56.799 -0.559 1
1 49 . 8 1 1 A 4 4 ASP CB C 4 39.910 40.932 -1.022 1
1 50 . 8 1 1 A 4 4 ASP N N 4 118.286 120.099 -1.813 1
1 51 . 8 1 1 A 5 5 TYR H H 5 8.336 7.909 0.427 1
1 52 . 8 1 1 A 5 5 TYR HA H 5 4.284 4.619 -0.335 1
1 59 . 8 1 1 A 5 5 TYR C C 5 172.456 175.654 -3.198 1
1 60 . 8 1 1 A 5 5 TYR CA C 5 58.770 58.867 -0.097 1
1 61 . 8 1 1 A 5 5 TYR CB C 5 37.820 37.940 -0.120 1
1 64 . 8 1 1 A 5 5 TYR N N 5 119.641 116.394 3.247 1
1 65 . 8 1 1 A 6 6 ALA H H 6 6.748 7.307 -0.559 1
1 66 . 8 1 1 A 6 6 ALA HA H 6 3.470 3.168 0.302 1
1 70 . 8 1 1 A 6 6 ALA C C 6 178.122 176.598 1.524 1
1 71 . 8 1 1 A 6 6 ALA CA C 6 51.440 51.744 -0.304 1
1 72 . 8 1 1 A 6 6 ALA CB C 6 19.600 19.044 0.556 1
1 73 . 8 1 1 A 6 6 ALA N N 6 122.727 122.509 0.218 1
1 74 . 8 1 1 A 7 7 ILE H H 7 8.665 8.423 0.242 1
1 75 . 8 1 1 A 7 7 ILE HA H 7 4.303 4.575 -0.272 1
1 85 . 8 1 1 A 7 7 ILE C C 7 174.386 175.133 -0.747 1
1 86 . 8 1 1 A 7 7 ILE CA C 7 58.640 60.009 -1.369 1
1 87 . 8 1 1 A 7 7 ILE CB C 7 39.820 39.582 0.238 1
1 91 . 8 1 1 A 7 7 ILE N N 7 124.318 124.761 -0.443 1
1 92 . 8 1 1 A 8 8 SER H H 8 8.884 8.757 0.127 1
1 93 . 8 1 1 A 8 8 SER HA H 8 4.881 4.624 0.257 1
1 96 . 8 1 1 A 8 8 SER C C 8 176.268 175.401 0.867 1
1 97 . 8 1 1 A 8 8 SER CA C 8 57.157 57.897 -0.740 1
1 98 . 8 1 1 A 8 8 SER CB C 8 64.390 64.338 0.052 1
1 99 . 8 1 1 A 8 8 SER N N 8 122.739 122.996 -0.257 1
1 100 . 8 1 1 A 9 9 LEU H H 9 8.077 8.727 -0.650 1
1 101 . 8 1 1 A 9 9 LEU HA H 9 3.652 4.029 -0.377 1
1 111 . 8 1 1 A 9 9 LEU C C 9 175.322 177.686 -2.364 1
1 112 . 8 1 1 A 9 9 LEU CA C 9 57.190 57.666 -0.476 1
1 113 . 8 1 1 A 9 9 LEU CB C 9 42.290 41.551 0.739 1
1 117 . 8 1 1 A 9 9 LEU N N 9 126.321 128.039 -1.718 1
1 118 . 8 1 1 A 10 10 GLU H H 10 8.361 8.421 -0.060 1
1 119 . 8 1 1 A 10 10 GLU HA H 10 3.754 4.554 -0.800 1
1 124 . 8 1 1 A 10 10 GLU C C 10 176.452 177.249 -0.797 1
1 125 . 8 1 1 A 10 10 GLU CA C 10 58.470 57.144 1.326 1
1 126 . 8 1 1 A 10 10 GLU CB C 10 29.480 29.012 0.468 1
1 128 . 8 1 1 A 10 10 GLU N N 10 112.911 115.988 -3.077 1
1 129 . 8 1 1 A 11 11 GLU H H 11 7.284 8.167 -0.883 1
1 130 . 8 1 1 A 11 11 GLU HA H 11 4.531 4.553 -0.022 1
1 135 . 8 1 1 A 11 11 GLU C C 11 176.539 176.027 0.512 1
1 136 . 8 1 1 A 11 11 GLU CA C 11 55.240 55.948 -0.708 1
1 137 . 8 1 1 A 11 11 GLU CB C 11 32.160 30.985 1.175 1
1 139 . 8 1 1 A 11 11 GLU N N 11 114.276 115.971 -1.695 1
1 140 . 8 1 1 A 12 12 VAL H H 12 7.077 7.399 -0.322 1
1 141 . 8 1 1 A 12 12 VAL HA H 12 3.677 4.069 -0.392 1
1 149 . 8 1 1 A 12 12 VAL C C 12 173.900 174.437 -0.537 1
1 150 . 8 1 1 A 12 12 VAL CA C 12 62.510 61.354 1.156 1
1 151 . 8 1 1 A 12 12 VAL CB C 12 31.920 32.620 -0.700 1
1 154 . 8 1 1 A 12 12 VAL N N 12 121.932 120.958 0.974 1
1 155 . 8 1 1 A 13 13 ASN H H 13 7.996 8.724 -0.728 1
1 156 . 8 1 1 A 13 13 ASN HA H 13 4.840 5.279 -0.439 1
1 161 . 8 1 1 A 13 13 ASN C C 13 176.876 175.327 1.549 1
1 162 . 8 1 1 A 13 13 ASN CA C 13 52.168 51.886 0.282 1
1 163 . 8 1 1 A 13 13 ASN CB C 13 38.500 39.889 -1.389 1
1 164 . 8 1 1 A 13 13 ASN N N 13 121.232 125.147 -3.915 1
1 166 . 8 1 1 A 14 14 PHE H H 14 6.268 7.699 -1.431 1
1 167 . 8 1 1 A 14 14 PHE HA H 14 3.868 4.185 -0.317 1
1 175 . 8 1 1 A 14 14 PHE C C 14 176.423 178.023 -1.600 1
1 176 . 8 1 1 A 14 14 PHE CA C 14 62.520 60.731 1.789 1
1 177 . 8 1 1 A 14 14 PHE CB C 14 38.780 38.560 0.220 1
1 181 . 8 1 1 A 14 14 PHE N N 14 120.637 121.691 -1.054 1
1 182 . 8 1 1 A 15 15 ASN H H 15 8.184 8.679 -0.495 1
1 183 . 8 1 1 A 15 15 ASN HA H 15 4.602 4.469 0.133 1
1 188 . 8 1 1 A 15 15 ASN C C 15 175.738 176.904 -1.166 1
1 189 . 8 1 1 A 15 15 ASN CA C 15 55.240 55.189 0.051 1
1 190 . 8 1 1 A 15 15 ASN CB C 15 38.270 36.660 1.610 1
1 191 . 8 1 1 A 15 15 ASN N N 15 113.599 115.566 -1.967 1
1 193 . 8 1 1 A 16 16 ASP H H 16 7.680 7.760 -0.080 1
1 194 . 8 1 1 A 16 16 ASP HA H 16 4.450 4.295 0.155 1
1 197 . 8 1 1 A 16 16 ASP C C 16 174.589 175.191 -0.602 1
1 198 . 8 1 1 A 16 16 ASP CA C 16 54.860 55.337 -0.477 1
1 199 . 8 1 1 A 16 16 ASP CB C 16 41.140 41.524 -0.384 1
1 200 . 8 1 1 A 16 16 ASP N N 16 117.808 118.441 -0.633 1
1 201 . 8 1 1 A 17 17 PHE H H 17 7.648 7.353 0.295 1
1 202 . 8 1 1 A 17 17 PHE HA H 17 4.788 5.174 -0.386 1
1 210 . 8 1 1 A 17 17 PHE C C 17 175.516 175.640 -0.124 1
1 211 . 8 1 1 A 17 17 PHE CA C 17 56.790 56.753 0.037 1
1 212 . 8 1 1 A 17 17 PHE CB C 17 44.090 42.388 1.702 1
1 216 . 8 1 1 A 17 17 PHE N N 17 116.207 115.773 0.434 1
1 217 . 8 1 1 A 18 18 ILE H H 18 8.674 8.971 -0.297 1
1 218 . 8 1 1 A 18 18 ILE HA H 18 4.335 4.476 -0.141 1
1 228 . 8 1 1 A 18 18 ILE C C 18 175.612 176.146 -0.534 1
1 229 . 8 1 1 A 18 18 ILE CA C 18 60.930 61.488 -0.558 1
1 230 . 8 1 1 A 18 18 ILE CB C 18 37.620 37.470 0.150 1
1 234 . 8 1 1 A 18 18 ILE N N 18 121.498 123.544 -2.046 1
1 235 . 8 1 1 A 19 19 VAL H H 19 9.009 8.276 0.733 1
1 236 . 8 1 1 A 19 19 VAL HA H 19 4.760 4.855 -0.095 1
1 244 . 8 1 1 A 19 19 VAL C C 19 175.622 175.316 0.306 1
1 245 . 8 1 1 A 19 19 VAL CA C 19 62.974 61.809 1.165 1
1 246 . 8 1 1 A 19 19 VAL CB C 19 32.770 32.545 0.225 1
1 249 . 8 1 1 A 19 19 VAL N N 19 129.378 128.481 0.897 1
1 250 . 8 1 1 A 20 20 VAL H H 20 9.606 8.838 0.768 1
1 251 . 8 1 1 A 20 20 VAL HA H 20 4.581 4.543 0.038 1
1 259 . 8 1 1 A 20 20 VAL C C 20 172.234 174.675 -2.441 1
1 260 . 8 1 1 A 20 20 VAL CA C 20 60.660 60.810 -0.150 1
1 261 . 8 1 1 A 20 20 VAL CB C 20 33.910 35.183 -1.273 1
1 264 . 8 1 1 A 20 20 VAL N N 20 131.965 126.263 5.702 1
1 265 . 8 1 1 A 21 21 ASP H H 21 8.367 8.949 -0.582 1
1 266 . 8 1 1 A 21 21 ASP HA H 21 4.105 4.284 -0.179 1
1 269 . 8 1 1 A 21 21 ASP C C 21 176.182 175.518 0.664 1
1 270 . 8 1 1 A 21 21 ASP CA C 21 50.850 53.366 -2.516 1
1 271 . 8 1 1 A 21 21 ASP CB C 21 43.460 40.946 2.514 1
1 272 . 8 1 1 A 21 21 ASP N N 21 129.516 127.677 1.839 1
1 273 . 8 1 1 A 22 22 VAL H H 22 8.095 7.983 0.112 1
1 274 . 8 1 1 A 22 22 VAL HA H 22 5.720 5.018 0.702 1
1 282 . 8 1 1 A 22 22 VAL C C 22 178.006 174.830 3.176 1
1 283 . 8 1 1 A 22 22 VAL CA C 22 58.990 61.011 -2.021 1
1 284 . 8 1 1 A 22 22 VAL CB C 22 30.150 31.690 -1.540 1
1 287 . 8 1 1 A 22 22 VAL N N 22 114.833 120.486 -5.653 1
1 288 . 8 1 1 A 23 23 ARG H H 23 7.467 8.266 -0.799 1
1 289 . 8 1 1 A 23 23 ARG HA H 23 4.358 4.546 -0.188 1
1 299 . 8 1 1 A 23 23 ARG C C 23 172.157 176.082 -3.925 1
1 300 . 8 1 1 A 23 23 ARG CA C 23 56.190 56.519 -0.329 1
1 301 . 8 1 1 A 23 23 ARG CB C 23 31.230 32.227 -0.997 1
1 304 . 8 1 1 A 23 23 ARG N N 23 120.418 125.492 -5.074 1
1 307 . 8 1 1 A 24 24 GLU H H 24 7.372 7.752 -0.380 1
1 308 . 8 1 1 A 24 24 GLU HA H 24 4.454 4.570 -0.116 1
1 313 . 8 1 1 A 24 24 GLU C C 24 178.807 176.356 2.451 1
1 314 . 8 1 1 A 24 24 GLU CA C 24 53.870 55.552 -1.682 1
1 315 . 8 1 1 A 24 24 GLU CB C 24 31.610 33.062 -1.452 1
1 317 . 8 1 1 A 24 24 GLU N N 24 111.001 116.079 -5.078 1
1 318 . 8 1 1 A 25 25 LEU H H 25 8.842 8.554 0.288 1
1 319 . 8 1 1 A 25 25 LEU HA H 25 3.922 4.019 -0.097 1
1 329 . 8 1 1 A 25 25 LEU C C 25 177.591 177.896 -0.305 1
1 330 . 8 1 1 A 25 25 LEU CA C 25 58.800 58.669 0.131 1
1 331 . 8 1 1 A 25 25 LEU CB C 25 42.000 41.429 0.571 1
1 335 . 8 1 1 A 25 25 LEU N N 25 122.468 125.888 -3.420 1
1 336 . 8 1 1 A 26 26 ASP H H 26 8.671 8.692 -0.021 1
1 337 . 8 1 1 A 26 26 ASP HA H 26 4.389 4.439 -0.050 1
1 340 . 8 1 1 A 26 26 ASP C C 26 178.739 178.317 0.422 1
1 341 . 8 1 1 A 26 26 ASP CA C 26 56.540 56.987 -0.447 1
1 342 . 8 1 1 A 26 26 ASP CB C 26 39.570 40.123 -0.553 1
1 343 . 8 1 1 A 26 26 ASP N N 26 114.189 118.297 -4.108 1
1 344 . 8 1 1 A 27 27 GLU H H 27 7.235 8.197 -0.962 1
1 345 . 8 1 1 A 27 27 GLU HA H 27 4.304 4.022 0.282 1
1 350 . 8 1 1 A 27 27 GLU C C 27 177.678 178.473 -0.795 1
1 351 . 8 1 1 A 27 27 GLU CA C 27 58.830 59.609 -0.779 1
1 352 . 8 1 1 A 27 27 GLU CB C 27 30.650 29.373 1.277 1
1 354 . 8 1 1 A 27 27 GLU N N 27 120.618 120.471 0.147 1
1 355 . 8 1 1 A 28 28 TYR H H 28 7.703 8.074 -0.371 1
1 356 . 8 1 1 A 28 28 TYR HA H 28 4.149 4.153 -0.004 1
1 363 . 8 1 1 A 28 28 TYR C C 28 177.108 177.875 -0.767 1
1 364 . 8 1 1 A 28 28 TYR CA C 28 60.600 61.147 -0.547 1
1 365 . 8 1 1 A 28 28 TYR CB C 28 39.300 38.502 0.798 1
1 370 . 8 1 1 A 28 28 TYR N N 28 121.871 121.486 0.385 1
1 371 . 8 1 1 A 29 29 GLU H H 29 8.727 8.129 0.598 1
1 372 . 8 1 1 A 29 29 GLU HA H 29 3.823 3.722 0.101 1
1 377 . 8 1 1 A 29 29 GLU C C 29 177.456 178.731 -1.275 1
1 378 . 8 1 1 A 29 29 GLU CA C 29 58.770 59.975 -1.205 1
1 379 . 8 1 1 A 29 29 GLU CB C 29 29.880 29.611 0.269 1
1 381 . 8 1 1 A 29 29 GLU N N 29 116.326 118.889 -2.563 1
1 382 . 8 1 1 A 30 30 GLU H H 30 7.225 8.360 -1.135 1
1 383 . 8 1 1 A 30 30 GLU HA H 30 4.219 4.216 0.003 1
1 388 . 8 1 1 A 30 30 GLU C C 30 177.012 176.420 0.592 1
1 389 . 8 1 1 A 30 30 GLU CA C 30 59.750 58.968 0.782 1
1 390 . 8 1 1 A 30 30 GLU CB C 30 29.310 29.041 0.269 1
1 392 . 8 1 1 A 30 30 GLU N N 30 119.394 117.893 1.501 1
1 393 . 8 1 1 A 31 31 LEU H H 31 7.512 7.422 0.090 1
1 394 . 8 1 1 A 31 31 LEU HA H 31 5.102 4.621 0.481 1
1 404 . 8 1 1 A 31 31 LEU C C 31 173.363 174.531 -1.168 1
1 405 . 8 1 1 A 31 31 LEU CA C 31 55.760 53.878 1.882 1
1 406 . 8 1 1 A 31 31 LEU CB C 31 42.880 44.640 -1.760 1
1 410 . 8 1 1 A 31 31 LEU N N 31 118.039 116.882 1.157 1
1 411 . 8 1 1 A 32 32 HIS H H 32 8.196 8.203 -0.007 1
1 412 . 8 1 1 A 32 32 HIS HA H 32 4.433 5.024 -0.591 1
1 417 . 8 1 1 A 32 32 HIS C C 32 171.973 171.725 0.248 1
1 418 . 8 1 1 A 32 32 HIS CA C 32 54.660 54.337 0.323 1
1 419 . 8 1 1 A 32 32 HIS CB C 32 31.500 31.213 0.287 1
1 422 . 8 1 1 A 32 32 HIS N N 32 114.425 114.753 -0.328 1
1 423 . 8 1 1 A 33 33 LEU H H 33 10.099 8.711 1.388 1
1 424 . 8 1 1 A 33 33 LEU HA H 33 4.745 4.290 0.455 1
1 434 . 8 1 1 A 33 33 LEU CA C 33 53.423 52.483 0.940 1
1 435 . 8 1 1 A 33 33 LEU CB C 33 42.750 41.097 1.653 1
1 439 . 8 1 1 A 33 33 LEU N N 33 124.819 120.479 4.340 1
1 440 . 8 1 1 A 34 34 PRO HA H 34 4.328 4.441 -0.113 1
1 447 . 8 1 1 A 34 34 PRO C C 34 177.012 177.250 -0.238 1
1 448 . 8 1 1 A 34 34 PRO CA C 34 64.440 64.505 -0.065 1
1 449 . 8 1 1 A 34 34 PRO CB C 34 31.660 31.808 -0.148 1
1 452 . 8 1 1 A 35 35 ASN H H 35 8.736 8.224 0.512 1
1 453 . 8 1 1 A 35 35 ASN HA H 35 4.701 4.958 -0.257 1
1 458 . 8 1 1 A 35 35 ASN C C 35 174.801 174.375 0.426 1
1 459 . 8 1 1 A 35 35 ASN CA C 35 53.470 52.964 0.506 1
1 460 . 8 1 1 A 35 35 ASN CB C 35 37.650 39.124 -1.474 1
1 461 . 8 1 1 A 35 35 ASN N N 35 113.231 115.389 -2.158 1
1 463 . 8 1 1 A 36 36 ALA H H 36 7.434 7.497 -0.063 1
1 464 . 8 1 1 A 36 36 ALA HA H 36 4.523 5.059 -0.536 1
1 468 . 8 1 1 A 36 36 ALA C C 36 177.494 176.237 1.257 1
1 469 . 8 1 1 A 36 36 ALA CA C 36 52.700 50.368 2.332 1
1 470 . 8 1 1 A 36 36 ALA CB C 36 21.760 20.975 0.785 1
1 471 . 8 1 1 A 36 36 ALA N N 36 122.419 123.255 -0.836 1
1 472 . 8 1 1 A 37 37 THR H H 37 8.334 8.584 -0.250 1
1 473 . 8 1 1 A 37 37 THR HA H 37 4.184 4.372 -0.188 1
1 479 . 8 1 1 A 37 37 THR C C 37 172.359 174.166 -1.807 1
1 480 . 8 1 1 A 37 37 THR CA C 37 63.020 62.978 0.042 1
1 481 . 8 1 1 A 37 37 THR CB C 37 69.800 69.092 0.708 1
1 483 . 8 1 1 A 37 37 THR N N 37 121.183 118.754 2.429 1
1 484 . 8 1 1 A 38 38 LEU H H 38 8.306 8.302 0.004 1
1 485 . 8 1 1 A 38 38 LEU HA H 38 4.815 4.458 0.357 1
1 495 . 8 1 1 A 38 38 LEU C C 38 176.529 174.776 1.753 1
1 496 . 8 1 1 A 38 38 LEU CA C 38 53.873 54.445 -0.572 1
1 497 . 8 1 1 A 38 38 LEU CB C 38 41.830 42.039 -0.209 1
1 501 . 8 1 1 A 38 38 LEU N N 38 130.981 129.402 1.579 1
1 502 . 8 1 1 A 39 39 ILE H H 39 8.612 8.227 0.385 1
1 503 . 8 1 1 A 39 39 ILE HA H 39 3.779 4.627 -0.848 1
1 513 . 8 1 1 A 39 39 ILE C C 39 172.186 174.387 -2.201 1
1 514 . 8 1 1 A 39 39 ILE CA C 39 62.040 59.749 2.291 1
1 515 . 8 1 1 A 39 39 ILE CB C 39 40.360 42.340 -1.980 1
1 519 . 8 1 1 A 39 39 ILE N N 39 131.100 129.117 1.983 1
1 520 . 8 1 1 A 40 40 SER H H 40 8.123 8.945 -0.822 1
1 521 . 8 1 1 A 40 40 SER HA H 40 3.904 4.424 -0.520 1
1 524 . 8 1 1 A 40 40 SER C C 40 177.629 175.445 2.184 1
1 525 . 8 1 1 A 40 40 SER CA C 40 58.810 59.072 -0.262 1
1 526 . 8 1 1 A 40 40 SER CB C 40 63.090 63.159 -0.069 1
1 527 . 8 1 1 A 40 40 SER N N 40 118.068 122.728 -4.660 1
1 528 . 8 1 1 A 41 41 VAL H H 41 7.739 8.653 -0.914 1
1 529 . 8 1 1 A 41 41 VAL HA H 41 3.913 3.822 0.091 1
1 537 . 8 1 1 A 41 41 VAL C C 41 174.714 177.531 -2.817 1
1 538 . 8 1 1 A 41 41 VAL CA C 41 58.990 64.977 -5.987 1
1 539 . 8 1 1 A 41 41 VAL CB C 41 31.730 31.820 -0.090 1
1 542 . 8 1 1 A 41 41 VAL N N 41 124.290 127.501 -3.211 1
1 543 . 8 1 1 A 42 42 ASN H H 42 8.344 8.049 0.295 1
1 544 . 8 1 1 A 42 42 ASN HA H 42 4.630 4.458 0.172 1
1 549 . 8 1 1 A 42 42 ASN C C 42 175.699 176.128 -0.429 1
1 550 . 8 1 1 A 42 42 ASN CA C 42 54.860 56.533 -1.673 1
1 551 . 8 1 1 A 42 42 ASN CB C 42 38.610 38.032 0.578 1
1 552 . 8 1 1 A 42 42 ASN N N 42 116.715 119.714 -2.999 1
1 554 . 8 1 1 A 43 43 ASP H H 43 8.417 7.634 0.783 1
1 555 . 8 1 1 A 43 43 ASP HA H 43 5.021 4.861 0.160 1
1 558 . 8 1 1 A 43 43 ASP C C 43 175.699 176.133 -0.434 1
1 559 . 8 1 1 A 43 43 ASP CA C 43 52.300 52.778 -0.478 1
1 560 . 8 1 1 A 43 43 ASP CB C 43 39.540 38.785 0.755 1
1 561 . 8 1 1 A 43 43 ASP N N 43 125.038 119.366 5.672 1
1 562 . 8 1 1 A 44 44 GLN H H 44 7.762 8.071 -0.309 1
1 563 . 8 1 1 A 44 44 GLN HA H 44 3.815 4.039 -0.224 1
1 570 . 8 1 1 A 44 44 GLN C C 44 178.430 178.007 0.423 1
1 571 . 8 1 1 A 44 44 GLN CA C 44 59.650 59.109 0.541 1
1 572 . 8 1 1 A 44 44 GLN CB C 44 28.760 28.262 0.498 1
1 574 . 8 1 1 A 44 44 GLN N N 44 119.490 123.301 -3.811 1
1 576 . 8 1 1 A 45 45 GLU H H 45 8.705 8.451 0.254 1
1 577 . 8 1 1 A 45 45 GLU HA H 45 4.059 4.044 0.015 1
1 582 . 8 1 1 A 45 45 GLU C C 45 178.739 178.834 -0.095 1
1 583 . 8 1 1 A 45 45 GLU CA C 45 59.660 59.356 0.304 1
1 584 . 8 1 1 A 45 45 GLU CB C 45 28.900 29.084 -0.184 1
1 586 . 8 1 1 A 45 45 GLU N N 45 119.373 118.292 1.081 1
1 587 . 8 1 1 A 46 46 LYS H H 46 7.545 7.796 -0.251 1
1 588 . 8 1 1 A 46 46 LYS HA H 46 4.119 4.175 -0.056 1
1 597 . 8 1 1 A 46 46 LYS C C 46 179.579 179.050 0.529 1
1 598 . 8 1 1 A 46 46 LYS CA C 46 58.940 59.153 -0.213 1
1 599 . 8 1 1 A 46 46 LYS CB C 46 32.750 32.048 0.702 1
1 603 . 8 1 1 A 46 46 LYS N N 46 120.645 119.875 0.770 1
1 604 . 8 1 1 A 47 47 LEU H H 47 8.005 7.870 0.135 1
1 605 . 8 1 1 A 47 47 LEU HA H 47 4.059 3.913 0.146 1
1 615 . 8 1 1 A 47 47 LEU C C 47 177.436 178.680 -1.244 1
1 616 . 8 1 1 A 47 47 LEU CA C 47 58.090 57.816 0.274 1
1 617 . 8 1 1 A 47 47 LEU CB C 47 41.150 41.504 -0.354 1
1 621 . 8 1 1 A 47 47 LEU N N 47 122.201 120.149 2.052 1
1 622 . 8 1 1 A 48 48 ALA H H 48 8.239 8.566 -0.327 1
1 623 . 8 1 1 A 48 48 ALA HA H 48 3.733 3.631 0.102 1
1 627 . 8 1 1 A 48 48 ALA C C 48 179.347 178.672 0.675 1
1 628 . 8 1 1 A 48 48 ALA CA C 48 55.420 55.243 0.177 1
1 629 . 8 1 1 A 48 48 ALA CB C 48 18.240 17.174 1.066 1
1 630 . 8 1 1 A 48 48 ALA N N 48 121.483 121.210 0.273 1
1 631 . 8 1 1 A 49 49 ASP H H 49 8.001 8.067 -0.066 1
1 632 . 8 1 1 A 49 49 ASP HA H 49 4.308 4.325 -0.017 1
1 635 . 8 1 1 A 49 49 ASP C C 49 179.106 178.150 0.956 1
1 636 . 8 1 1 A 49 49 ASP CA C 49 57.350 57.194 0.156 1
1 637 . 8 1 1 A 49 49 ASP CB C 49 41.250 41.625 -0.375 1
1 638 . 8 1 1 A 49 49 ASP N N 49 117.231 118.791 -1.560 1
1 639 . 8 1 1 A 50 50 PHE H H 50 8.265 8.176 0.089 1
1 640 . 8 1 1 A 50 50 PHE HA H 50 4.101 4.113 -0.012 1
1 647 . 8 1 1 A 50 50 PHE C C 50 179.048 176.757 2.291 1
1 648 . 8 1 1 A 50 50 PHE CA C 50 62.590 61.309 1.281 1
1 649 . 8 1 1 A 50 50 PHE CB C 50 39.810 39.159 0.651 1
1 651 . 8 1 1 A 50 50 PHE N N 50 122.379 120.293 2.086 1
1 652 . 8 1 1 A 51 51 LEU H H 51 8.653 7.989 0.664 1
1 653 . 8 1 1 A 51 51 LEU HA H 51 3.789 3.786 0.003 1
1 663 . 8 1 1 A 51 51 LEU C C 51 180.400 178.513 1.887 1
1 664 . 8 1 1 A 51 51 LEU CA C 51 58.140 57.050 1.090 1
1 665 . 8 1 1 A 51 51 LEU CB C 51 38.770 41.248 -2.478 1
1 669 . 8 1 1 A 51 51 LEU N N 51 120.277 119.193 1.084 1
1 670 . 8 1 1 A 52 52 SER H H 52 8.332 7.775 0.557 1
1 671 . 8 1 1 A 52 52 SER HA H 52 4.160 4.311 -0.151 1
1 674 . 8 1 1 A 52 52 SER C C 52 176.220 176.889 -0.669 1
1 675 . 8 1 1 A 52 52 SER CA C 52 61.840 60.983 0.857 1
1 676 . 8 1 1 A 52 52 SER CB C 52 62.850 63.001 -0.151 1
1 677 . 8 1 1 A 52 52 SER N N 52 115.630 114.483 1.147 1
1 678 . 8 1 1 A 53 53 GLN H H 53 7.405 7.647 -0.242 1
1 679 . 8 1 1 A 53 53 GLN HA H 53 4.092 4.116 -0.024 1
1 686 . 8 1 1 A 53 53 GLN C C 53 176.046 176.291 -0.245 1
1 687 . 8 1 1 A 53 53 GLN CA C 53 56.560 58.705 -2.145 1
1 688 . 8 1 1 A 53 53 GLN CB C 53 28.580 28.983 -0.403 1
1 690 . 8 1 1 A 53 53 GLN N N 53 119.056 118.291 0.765 1
1 692 . 8 1 1 A 54 54 HIS H H 54 7.311 7.597 -0.286 1
1 693 . 8 1 1 A 54 54 HIS HA H 54 4.754 4.960 -0.206 1
1 696 . 8 1 1 A 54 54 HIS C C 54 175.467 174.867 0.600 1
1 697 . 8 1 1 A 54 54 HIS CA C 54 55.562 54.562 1.000 1
1 698 . 8 1 1 A 54 54 HIS CB C 54 29.650 32.370 -2.720 1
1 699 . 8 1 1 A 54 54 HIS N N 54 117.800 114.279 3.521 1
1 700 . 8 1 1 A 55 55 LYS H H 55 7.646 8.655 -1.009 1
1 701 . 8 1 1 A 55 55 LYS HA H 55 4.296 4.314 -0.018 1
1 710 . 8 1 1 A 55 55 LYS C C 55 176.741 177.170 -0.429 1
1 711 . 8 1 1 A 55 55 LYS CA C 55 58.710 57.306 1.404 1
1 712 . 8 1 1 A 55 55 LYS CB C 55 32.370 32.160 0.210 1
1 716 . 8 1 1 A 55 55 LYS N N 55 119.903 123.647 -3.744 1
1 717 . 8 1 1 A 56 56 ASP H H 56 8.853 7.967 0.886 1
1 718 . 8 1 1 A 56 56 ASP HA H 56 4.655 4.795 -0.140 1
1 721 . 8 1 1 A 56 56 ASP C C 56 175.158 175.600 -0.442 1
1 722 . 8 1 1 A 56 56 ASP CA C 56 53.930 53.856 0.074 1
1 723 . 8 1 1 A 56 56 ASP CB C 56 40.220 41.651 -1.431 1
1 724 . 8 1 1 A 56 56 ASP N N 56 116.429 116.702 -0.273 1
1 725 . 8 1 1 A 57 57 LYS H H 57 7.655 7.542 0.113 1
1 726 . 8 1 1 A 57 57 LYS HA H 57 4.701 4.801 -0.100 1
1 735 . 8 1 1 A 57 57 LYS C C 57 175.236 175.505 -0.269 1
1 736 . 8 1 1 A 57 57 LYS CA C 57 53.830 55.566 -1.736 1
1 737 . 8 1 1 A 57 57 LYS CB C 57 35.550 33.975 1.575 1
1 741 . 8 1 1 A 57 57 LYS N N 57 119.510 116.968 2.542 1
1 742 . 8 1 1 A 58 58 LYS H H 58 8.265 8.742 -0.477 1
1 743 . 8 1 1 A 58 58 LYS HA H 58 4.745 4.859 -0.114 1
1 752 . 8 1 1 A 58 58 LYS C C 58 175.651 175.650 0.001 1
1 753 . 8 1 1 A 58 58 LYS CA C 58 56.870 56.349 0.521 1
1 754 . 8 1 1 A 58 58 LYS CB C 58 33.250 33.493 -0.243 1
1 758 . 8 1 1 A 58 58 LYS N N 58 120.091 124.104 -4.013 1
1 759 . 8 1 1 A 59 59 VAL H H 59 9.233 9.209 0.024 1
1 760 . 8 1 1 A 59 59 VAL HA H 59 5.231 5.480 -0.249 1
1 768 . 8 1 1 A 59 59 VAL C C 59 173.556 174.494 -0.938 1
1 769 . 8 1 1 A 59 59 VAL CA C 59 60.930 61.323 -0.393 1
1 770 . 8 1 1 A 59 59 VAL CB C 59 34.300 35.491 -1.191 1
1 772 . 8 1 1 A 59 59 VAL N N 59 127.047 126.547 0.500 1
1 773 . 8 1 1 A 60 60 LEU H H 60 9.228 8.930 0.298 1
1 774 . 8 1 1 A 60 60 LEU HA H 60 4.815 4.961 -0.146 1
1 784 . 8 1 1 A 60 60 LEU C C 60 173.421 175.093 -1.672 1
1 785 . 8 1 1 A 60 60 LEU CA C 60 52.586 53.834 -1.248 1
1 786 . 8 1 1 A 60 60 LEU CB C 60 45.660 44.255 1.405 1
1 790 . 8 1 1 A 60 60 LEU N N 60 129.197 129.154 0.043 1
1 791 . 8 1 1 A 61 61 LEU H H 61 9.055 8.932 0.123 1
1 792 . 8 1 1 A 61 61 LEU HA H 61 5.713 4.747 0.966 1
1 802 . 8 1 1 A 61 61 LEU C C 61 176.683 176.619 0.064 1
1 803 . 8 1 1 A 61 61 LEU CA C 61 52.760 54.613 -1.853 1
1 804 . 8 1 1 A 61 61 LEU CB C 61 43.220 41.057 2.163 1
1 808 . 8 1 1 A 61 61 LEU N N 61 125.903 127.904 -2.001 1
1 809 . 8 1 1 A 62 62 HIS H H 62 9.148 9.039 0.109 1
1 810 . 8 1 1 A 62 62 HIS HA H 62 5.440 5.510 -0.070 1
1 816 . 8 1 1 A 62 62 HIS C C 62 172.301 173.718 -1.417 1
1 817 . 8 1 1 A 62 62 HIS CA C 62 54.580 53.867 0.713 1
1 818 . 8 1 1 A 62 62 HIS CB C 62 33.980 31.689 2.291 1
1 821 . 8 1 1 A 62 62 HIS N N 62 119.183 121.569 -2.386 1
1 823 . 8 1 1 A 63 63 CYS H H 63 9.389 8.180 1.209 1
1 824 . 8 1 1 A 63 63 CYS HA H 63 5.021 4.755 0.266 1
1 827 . 8 1 1 A 63 63 CYS C C 63 177.649 175.366 2.283 1
1 828 . 8 1 1 A 63 63 CYS CA C 63 56.460 57.198 -0.738 1
1 829 . 8 1 1 A 63 63 CYS CB C 63 29.400 30.692 -1.292 1
1 830 . 8 1 1 A 63 63 CYS N N 63 120.896 119.774 1.122 1
1 831 . 8 1 1 A 64 64 ARG H H 64 8.658 8.872 -0.214 1
1 832 . 8 1 1 A 64 64 ARG HA H 64 4.425 3.904 0.521 1
1 839 . 8 1 1 A 64 64 ARG C C 64 174.724 177.453 -2.729 1
1 840 . 8 1 1 A 64 64 ARG CA C 64 59.000 59.752 -0.752 1
1 841 . 8 1 1 A 64 64 ARG CB C 64 30.820 30.008 0.812 1
1 844 . 8 1 1 A 64 64 ARG N N 64 130.651 126.704 3.947 1
1 845 . 8 1 1 A 65 65 ALA H H 65 8.166 7.591 0.575 1
1 846 . 8 1 1 A 65 65 ALA HA H 65 5.399 4.550 0.849 1
1 850 . 8 1 1 A 65 65 ALA C C 65 177.909 177.164 0.745 1
1 851 . 8 1 1 A 65 65 ALA CA C 65 52.020 52.694 -0.674 1
1 852 . 8 1 1 A 65 65 ALA CB C 65 20.270 21.300 -1.030 1
1 853 . 8 1 1 A 65 65 ALA N N 65 118.548 119.117 -0.569 1
1 854 . 8 1 1 A 66 66 GLY H H 66 9.300 7.522 1.778 1
1 855 . 8 1 1 A 66 66 GLY HA2 H 66 4.872 4.053 0.819 1
1 856 . 8 1 1 A 66 66 GLY HA3 H 66 4.450 4.072 0.378 1
1 857 . 8 1 1 A 66 66 GLY C C 66 176.761 174.683 2.078 1
1 858 . 8 1 1 A 66 66 GLY CA C 66 46.630 45.604 1.026 1
1 859 . 8 1 1 A 66 66 GLY N N 66 114.644 106.324 8.320 1
1 860 . 8 1 1 A 67 67 ARG H H 67 8.118 8.155 -0.037 1
1 861 . 8 1 1 A 67 67 ARG HA H 67 4.141 3.984 0.157 1
1 871 . 8 1 1 A 67 67 ARG C C 67 178.691 178.587 0.104 1
1 872 . 8 1 1 A 67 67 ARG CA C 67 60.930 58.884 2.046 1
1 873 . 8 1 1 A 67 67 ARG CB C 67 31.240 29.927 1.313 1
1 876 . 8 1 1 A 67 67 ARG N N 67 121.922 122.376 -0.454 1
1 879 . 8 1 1 A 68 68 ARG H H 68 9.366 7.710 1.656 1
1 880 . 8 1 1 A 68 68 ARG HA H 68 4.282 4.003 0.279 1
1 887 . 8 1 1 A 68 68 ARG C C 68 178.681 178.910 -0.229 1
1 888 . 8 1 1 A 68 68 ARG CA C 68 59.410 58.989 0.421 1
1 889 . 8 1 1 A 68 68 ARG CB C 68 30.760 29.863 0.897 1
1 892 . 8 1 1 A 68 68 ARG N N 68 123.821 119.173 4.648 1
1 893 . 8 1 1 A 69 69 ALA H H 69 10.112 7.796 2.316 1
1 894 . 8 1 1 A 69 69 ALA HA H 69 3.800 4.044 -0.244 1
1 898 . 8 1 1 A 69 69 ALA C C 69 178.334 180.024 -1.690 1
1 899 . 8 1 1 A 69 69 ALA CA C 69 55.960 55.194 0.766 1
1 900 . 8 1 1 A 69 69 ALA CB C 69 17.730 18.736 -1.006 1
1 901 . 8 1 1 A 69 69 ALA N N 69 125.465 122.132 3.333 1
1 902 . 8 1 1 A 70 70 LEU H H 70 7.746 7.988 -0.242 1
1 903 . 8 1 1 A 70 70 LEU HA H 70 3.340 3.266 0.074 1
1 913 . 8 1 1 A 70 70 LEU C C 70 177.996 177.928 0.068 1
1 914 . 8 1 1 A 70 70 LEU CA C 70 57.950 58.222 -0.272 1
1 915 . 8 1 1 A 70 70 LEU CB C 70 40.720 41.632 -0.912 1
1 919 . 8 1 1 A 70 70 LEU N N 70 118.427 120.046 -1.619 1
1 920 . 8 1 1 A 71 71 ASP H H 71 7.662 8.289 -0.627 1
1 921 . 8 1 1 A 71 71 ASP HA H 71 4.236 4.176 0.060 1
1 924 . 8 1 1 A 71 71 ASP C C 71 179.560 178.032 1.528 1
1 925 . 8 1 1 A 71 71 ASP CA C 71 57.880 57.980 -0.100 1
1 926 . 8 1 1 A 71 71 ASP CB C 71 40.340 41.972 -1.632 1
1 927 . 8 1 1 A 71 71 ASP N N 71 120.180 118.774 1.406 1
1 928 . 8 1 1 A 72 72 ALA H H 72 8.796 7.991 0.805 1
1 929 . 8 1 1 A 72 72 ALA HA H 72 4.101 4.008 0.093 1
1 933 . 8 1 1 A 72 72 ALA C C 72 179.203 179.565 -0.362 1
1 934 . 8 1 1 A 72 72 ALA CA C 72 54.670 55.127 -0.457 1
1 935 . 8 1 1 A 72 72 ALA CB C 72 18.490 18.049 0.441 1
1 936 . 8 1 1 A 72 72 ALA N N 72 122.299 120.324 1.975 1
1 937 . 8 1 1 A 73 73 ALA H H 73 8.672 7.899 0.773 1
1 938 . 8 1 1 A 73 73 ALA HA H 73 3.758 4.112 -0.354 1
1 942 . 8 1 1 A 73 73 ALA C C 73 179.251 179.630 -0.379 1
1 943 . 8 1 1 A 73 73 ALA CA C 73 55.950 55.148 0.802 1
1 944 . 8 1 1 A 73 73 ALA CB C 73 17.660 18.314 -0.654 1
1 945 . 8 1 1 A 73 73 ALA N N 73 121.294 119.745 1.549 1
1 946 . 8 1 1 A 74 74 LYS H H 74 8.914 8.014 0.900 1
1 947 . 8 1 1 A 74 74 LYS HA H 74 3.790 3.818 -0.028 1
1 956 . 8 1 1 A 74 74 LYS C C 74 179.589 179.330 0.259 1
1 957 . 8 1 1 A 74 74 LYS CA C 74 60.620 59.308 1.312 1
1 958 . 8 1 1 A 74 74 LYS CB C 74 32.330 32.244 0.086 1
1 962 . 8 1 1 A 74 74 LYS N N 74 119.404 118.014 1.390 1
1 963 . 8 1 1 A 75 75 SER H H 75 7.874 7.865 0.009 1
1 964 . 8 1 1 A 75 75 SER HA H 75 4.272 4.125 0.147 1
1 967 . 8 1 1 A 75 75 SER C C 75 176.944 176.895 0.049 1
1 968 . 8 1 1 A 75 75 SER CA C 75 61.840 61.941 -0.101 1
1 969 . 8 1 1 A 75 75 SER CB C 75 62.990 62.834 0.156 1
1 970 . 8 1 1 A 75 75 SER N N 75 114.306 116.126 -1.820 1
1 971 . 8 1 1 A 76 76 MET H H 76 8.401 7.850 0.551 1
1 972 . 8 1 1 A 76 76 MET HA H 76 4.881 4.280 0.601 1
1 980 . 8 1 1 A 76 76 MET C C 76 179.811 178.899 0.912 1
1 981 . 8 1 1 A 76 76 MET CA C 76 56.060 58.880 -2.820 1
1 982 . 8 1 1 A 76 76 MET CB C 76 34.780 33.577 1.203 1
1 985 . 8 1 1 A 76 76 MET N N 76 119.510 119.725 -0.215 1
1 986 . 8 1 1 A 77 77 HIS H H 77 9.450 8.191 1.259 1
1 987 . 8 1 1 A 77 77 HIS HA H 77 5.148 4.760 0.388 1
1 992 . 8 1 1 A 77 77 HIS C C 77 181.596 177.912 3.684 1
1 993 . 8 1 1 A 77 77 HIS CA C 77 59.550 59.258 0.292 1
1 994 . 8 1 1 A 77 77 HIS CB C 77 30.720 29.722 0.998 1
1 997 . 8 1 1 A 77 77 HIS N N 77 123.245 117.761 5.484 1
1 998 . 8 1 1 A 78 78 GLU H H 78 7.832 8.195 -0.363 1
1 999 . 8 1 1 A 78 78 GLU HA H 78 4.159 4.104 0.055 1
1 1004 . 8 1 1 A 78 78 GLU C C 78 177.909 178.073 -0.164 1
1 1005 . 8 1 1 A 78 78 GLU CA C 78 59.110 59.394 -0.284 1
1 1006 . 8 1 1 A 78 78 GLU CB C 78 29.380 29.113 0.267 1
1 1008 . 8 1 1 A 78 78 GLU N N 78 121.124 120.562 0.562 1
1 1009 . 8 1 1 A 79 79 LEU H H 79 7.161 7.313 -0.152 1
1 1010 . 8 1 1 A 79 79 LEU HA H 79 4.360 4.181 0.179 1
1 1020 . 8 1 1 A 79 79 LEU C C 79 176.934 176.624 0.310 1
1 1021 . 8 1 1 A 79 79 LEU CA C 79 54.820 55.373 -0.553 1
1 1022 . 8 1 1 A 79 79 LEU CB C 79 43.300 42.618 0.682 1
1 1026 . 8 1 1 A 79 79 LEU N N 79 116.655 118.323 -1.668 1
1 1027 . 8 1 1 A 80 80 GLY H H 80 7.545 7.421 0.124 1
1 1028 . 8 1 1 A 80 80 GLY HA2 H 80 4.101 3.839 0.262 1
1 1029 . 8 1 1 A 80 80 GLY HA3 H 80 3.580 3.922 -0.342 1
1 1030 . 8 1 1 A 80 80 GLY C C 80 174.116 174.348 -0.232 1
1 1031 . 8 1 1 A 80 80 GLY CA C 80 45.010 45.029 -0.019 1
1 1032 . 8 1 1 A 80 80 GLY N N 80 105.216 105.323 -0.107 1
1 1033 . 8 1 1 A 81 81 TYR H H 81 7.519 7.354 0.165 1
1 1034 . 8 1 1 A 81 81 TYR HA H 81 4.727 4.454 0.273 1
1 1041 . 8 1 1 A 81 81 TYR C C 81 174.377 174.996 -0.619 1
1 1042 . 8 1 1 A 81 81 TYR CA C 81 56.960 58.251 -1.291 1
1 1043 . 8 1 1 A 81 81 TYR CB C 81 40.310 38.944 1.366 1
1 1046 . 8 1 1 A 81 81 TYR N N 81 119.660 120.166 -0.506 1
1 1047 . 8 1 1 A 82 82 THR H H 82 8.786 8.624 0.162 1
1 1048 . 8 1 1 A 82 82 THR HA H 82 3.390 3.566 -0.176 1
1 1053 . 8 1 1 A 82 82 THR CA C 82 57.030 58.196 -1.166 1
1 1054 . 8 1 1 A 82 82 THR CB C 82 68.740 68.736 0.004 1
1 1056 . 8 1 1 A 82 82 THR N N 82 105.368 113.616 -8.248 1
1 1057 . 8 1 1 A 83 83 PRO HA H 83 5.003 4.730 0.273 1
1 1064 . 8 1 1 A 83 83 PRO C C 83 175.699 175.961 -0.262 1
1 1065 . 8 1 1 A 83 83 PRO CA C 83 63.140 62.351 0.789 1
1 1066 . 8 1 1 A 83 83 PRO CB C 83 31.570 32.157 -0.587 1
1 1069 . 8 1 1 A 84 84 TYR H H 84 9.497 8.567 0.930 1
1 1070 . 8 1 1 A 84 84 TYR HA H 84 5.482 5.171 0.311 1
1 1077 . 8 1 1 A 84 84 TYR C C 84 175.506 175.133 0.373 1
1 1078 . 8 1 1 A 84 84 TYR CA C 84 57.570 57.679 -0.109 1
1 1079 . 8 1 1 A 84 84 TYR CB C 84 40.500 39.744 0.756 1
1 1082 . 8 1 1 A 84 84 TYR N N 84 119.880 120.011 -0.131 1
1 1083 . 8 1 1 A 85 85 TYR H H 85 8.570 8.201 0.369 1
1 1084 . 8 1 1 A 85 85 TYR HA H 85 5.730 5.602 0.128 1
1 1089 . 8 1 1 A 85 85 TYR C C 85 172.215 172.307 -0.092 1
1 1090 . 8 1 1 A 85 85 TYR CA C 85 55.240 56.075 -0.835 1
1 1091 . 8 1 1 A 85 85 TYR CB C 85 40.830 41.340 -0.510 1
1 1093 . 8 1 1 A 85 85 TYR N N 85 116.764 118.199 -1.435 1
1 1094 . 8 1 1 A 86 86 LEU H H 86 8.196 9.225 -1.029 1
1 1095 . 8 1 1 A 86 86 LEU HA H 86 4.881 5.112 -0.231 1
1 1105 . 8 1 1 A 86 86 LEU C C 86 177.552 174.856 2.696 1
1 1106 . 8 1 1 A 86 86 LEU CA C 86 53.376 53.717 -0.341 1
1 1107 . 8 1 1 A 86 86 LEU CB C 86 44.360 44.597 -0.237 1
1 1111 . 8 1 1 A 86 86 LEU N N 86 121.589 123.724 -2.135 1
1 1112 . 8 1 1 A 87 87 GLU H H 87 9.146 8.661 0.485 1
1 1113 . 8 1 1 A 87 87 GLU HA H 87 4.797 4.872 -0.075 1
1 1118 . 8 1 1 A 87 87 GLU C C 87 174.965 176.703 -1.738 1
1 1119 . 8 1 1 A 87 87 GLU CA C 87 55.405 56.245 -0.840 1
1 1120 . 8 1 1 A 87 87 GLU CB C 87 30.010 30.459 -0.449 1
1 1122 . 8 1 1 A 87 87 GLU N N 87 128.779 126.615 2.164 1
1 1123 . 8 1 1 A 88 88 GLY H H 88 7.349 8.257 -0.908 1
1 1124 . 8 1 1 A 88 88 GLY HA2 H 88 4.110 4.186 -0.076 1
1 1125 . 8 1 1 A 88 88 GLY HA3 H 88 4.023 4.229 -0.206 1
1 1126 . 8 1 1 A 88 88 GLY C C 88 170.593 171.613 -1.020 1
1 1127 . 8 1 1 A 88 88 GLY CA C 88 44.970 45.579 -0.609 1
1 1128 . 8 1 1 A 88 88 GLY N N 88 112.564 111.126 1.438 1
1 1129 . 8 1 1 A 89 89 ASN H H 89 8.756 8.782 -0.026 1
1 1130 . 8 1 1 A 89 89 ASN HA H 89 5.722 5.335 0.387 1
1 1135 . 8 1 1 A 89 89 ASN C C 89 176.336 176.159 0.177 1
1 1136 . 8 1 1 A 89 89 ASN CA C 89 52.210 53.203 -0.993 1
1 1137 . 8 1 1 A 89 89 ASN CB C 89 40.950 38.657 2.293 1
1 1138 . 8 1 1 A 89 89 ASN N N 89 121.363 118.770 2.593 1
1 1140 . 8 1 1 A 90 90 VAL H H 90 8.928 8.409 0.519 1
1 1141 . 8 1 1 A 90 90 VAL HA H 90 4.425 2.388 2.037 1
1 1149 . 8 1 1 A 90 90 VAL C C 90 175.660 176.350 -0.690 1
1 1150 . 8 1 1 A 90 90 VAL CA C 90 58.930 64.201 -5.271 1
1 1151 . 8 1 1 A 90 90 VAL CB C 90 30.860 31.481 -0.621 1
1 1154 . 8 1 1 A 90 90 VAL N N 90 128.990 125.799 3.191 1
1 1155 . 8 1 1 A 91 91 TYR H H 91 8.330 7.630 0.700 1
1 1156 . 8 1 1 A 91 91 TYR HA H 91 4.016 4.195 -0.179 1
1 1163 . 8 1 1 A 91 91 TYR C C 91 175.718 177.566 -1.848 1
1 1164 . 8 1 1 A 91 91 TYR CA C 91 61.700 61.972 -0.272 1
1 1165 . 8 1 1 A 91 91 TYR CB C 91 36.580 37.207 -0.627 1
1 1168 . 8 1 1 A 91 91 TYR N N 91 119.510 119.682 -0.172 1
1 1169 . 8 1 1 A 92 92 ASP H H 92 8.654 7.853 0.801 1
1 1170 . 8 1 1 A 92 92 ASP HA H 92 5.146 4.800 0.346 1
1 1173 . 8 1 1 A 92 92 ASP C C 92 177.224 178.929 -1.705 1
1 1174 . 8 1 1 A 92 92 ASP CA C 92 54.290 55.856 -1.566 1
1 1175 . 8 1 1 A 92 92 ASP CB C 92 42.670 40.904 1.766 1
1 1176 . 8 1 1 A 92 92 ASP N N 92 117.541 121.006 -3.465 1
1 1177 . 8 1 1 A 93 93 PHE H H 93 7.673 7.179 0.494 1
1 1178 . 8 1 1 A 93 93 PHE HA H 93 4.688 4.462 0.226 1
1 1186 . 8 1 1 A 93 93 PHE C C 93 179.270 178.447 0.823 1
1 1187 . 8 1 1 A 93 93 PHE CA C 93 60.340 61.837 -1.497 1
1 1188 . 8 1 1 A 93 93 PHE CB C 93 36.010 38.443 -2.433 1
1 1192 . 8 1 1 A 93 93 PHE N N 93 123.205 117.869 5.336 1
1 1193 . 8 1 1 A 94 94 GLU H H 94 9.164 8.421 0.743 1
1 1194 . 8 1 1 A 94 94 GLU HA H 94 4.676 4.037 0.639 1
1 1199 . 8 1 1 A 94 94 GLU C C 94 180.805 179.168 1.637 1
1 1200 . 8 1 1 A 94 94 GLU CA C 94 59.240 59.996 -0.756 1
1 1201 . 8 1 1 A 94 94 GLU CB C 94 29.640 29.157 0.483 1
1 1203 . 8 1 1 A 94 94 GLU N N 94 118.657 118.328 0.329 1
1 1204 . 8 1 1 A 95 95 LYS H H 95 8.005 8.508 -0.503 1
1 1205 . 8 1 1 A 95 95 LYS HA H 95 4.103 4.203 -0.100 1
1 1214 . 8 1 1 A 95 95 LYS C C 95 177.948 177.218 0.730 1
1 1215 . 8 1 1 A 95 95 LYS CA C 95 58.680 58.625 0.055 1
1 1216 . 8 1 1 A 95 95 LYS CB C 95 31.690 31.400 0.290 1
1 1220 . 8 1 1 A 95 95 LYS N N 95 121.494 118.886 2.608 1
1 1221 . 8 1 1 A 96 96 TYR H H 96 7.710 7.710 0.000 1
1 1222 . 8 1 1 A 96 96 TYR HA H 96 4.332 4.668 -0.336 1
1 1229 . 8 1 1 A 96 96 TYR C C 96 174.550 175.590 -1.040 1
1 1230 . 8 1 1 A 96 96 TYR CA C 96 59.370 58.103 1.267 1
1 1231 . 8 1 1 A 96 96 TYR CB C 96 38.340 38.807 -0.467 1
1 1234 . 8 1 1 A 96 96 TYR N N 96 117.421 118.553 -1.132 1
1 1235 . 8 1 1 A 97 97 GLY H H 97 7.796 7.827 -0.031 1
1 1236 . 8 1 1 A 97 97 GLY HA2 H 97 3.966 3.806 0.160 1
1 1237 . 8 1 1 A 97 97 GLY HA3 H 97 3.580 3.986 -0.406 1
1 1238 . 8 1 1 A 97 97 GLY C C 97 173.662 174.238 -0.576 1
1 1239 . 8 1 1 A 97 97 GLY CA C 97 45.160 45.023 0.137 1
1 1240 . 8 1 1 A 97 97 GLY N N 97 105.806 106.611 -0.805 1
1 1241 . 8 1 1 A 98 98 PHE H H 98 7.323 7.907 -0.584 1
1 1242 . 8 1 1 A 98 98 PHE HA H 98 4.644 4.473 0.171 1
1 1250 . 8 1 1 A 98 98 PHE C C 98 173.353 175.379 -2.026 1
1 1251 . 8 1 1 A 98 98 PHE CA C 98 57.490 58.298 -0.808 1
1 1252 . 8 1 1 A 98 98 PHE CB C 98 38.550 39.634 -1.084 1
1 1256 . 8 1 1 A 98 98 PHE N N 98 120.718 119.705 1.013 1
1 1257 . 8 1 1 A 99 99 ARG H H 99 7.903 8.560 -0.657 1
1 1258 . 8 1 1 A 99 99 ARG HA H 99 4.283 4.425 -0.142 1
1 1265 . 8 1 1 A 99 99 ARG C C 99 175.680 176.064 -0.384 1
1 1266 . 8 1 1 A 99 99 ARG CA C 99 56.320 56.288 0.032 1
1 1267 . 8 1 1 A 99 99 ARG CB C 99 30.610 30.478 0.132 1
1 1270 . 8 1 1 A 99 99 ARG N N 99 122.817 124.051 -1.234 1
1 1271 . 8 1 1 A 100 100 MET H H 100 8.133 8.705 -0.572 1
1 1272 . 8 1 1 A 100 100 MET HA H 100 4.843 4.846 -0.003 1
1 1280 . 8 1 1 A 100 100 MET C C 100 175.255 173.794 1.461 1
1 1281 . 8 1 1 A 100 100 MET CA C 100 52.343 54.278 -1.935 1
1 1282 . 8 1 1 A 100 100 MET CB C 100 34.410 36.942 -2.532 1
1 1285 . 8 1 1 A 100 100 MET N N 100 121.483 120.909 0.574 1
1 1286 . 8 1 1 A 101 101 VAL H H 101 8.471 8.333 0.138 1
1 1287 . 8 1 1 A 101 101 VAL HA H 101 3.890 4.475 -0.585 1
1 1295 . 8 1 1 A 101 101 VAL C C 101 175.351 174.743 0.608 1
1 1296 . 8 1 1 A 101 101 VAL CA C 101 61.500 60.819 0.681 1
1 1297 . 8 1 1 A 101 101 VAL CB C 101 31.730 32.790 -1.060 1
1 1300 . 8 1 1 A 101 101 VAL N N 101 119.940 121.675 -1.735 1
1 1301 . 8 1 1 A 102 102 TYR H H 102 8.612 8.797 -0.185 1
1 1302 . 8 1 1 A 102 102 TYR HA H 102 4.938 4.837 0.101 1
1 1309 . 8 1 1 A 102 102 TYR C C 102 175.892 175.225 0.667 1
1 1310 . 8 1 1 A 102 102 TYR CA C 102 57.140 57.327 -0.187 1
1 1311 . 8 1 1 A 102 102 TYR CB C 102 40.990 40.501 0.489 1
1 1314 . 8 1 1 A 102 102 TYR N N 102 126.390 125.836 0.554 1
1 1315 . 8 1 1 A 103 103 ASP H H 103 8.071 8.643 -0.572 1
1 1316 . 8 1 1 A 103 103 ASP HA H 103 4.621 4.359 0.262 1
1 1319 . 8 1 1 A 103 103 ASP C C 103 176.220 174.906 1.314 1
1 1320 . 8 1 1 A 103 103 ASP CA C 103 55.050 54.857 0.193 1
1 1321 . 8 1 1 A 103 103 ASP CB C 103 40.220 39.377 0.843 1
1 1322 . 8 1 1 A 103 103 ASP N N 103 120.738 119.142 1.596 1
1 1323 . 8 1 1 A 104 104 ASP H H 104 8.642 8.276 0.366 1
1 1324 . 8 1 1 A 104 104 ASP HA H 104 4.730 5.118 -0.388 1
1 1327 . 8 1 1 A 104 104 ASP C C 104 176.095 176.561 -0.466 1
1 1328 . 8 1 1 A 104 104 ASP CA C 104 53.510 52.957 0.553 1
1 1329 . 8 1 1 A 104 104 ASP CB C 104 41.060 41.546 -0.486 1
1 1330 . 8 1 1 A 104 104 ASP N N 104 121.582 122.975 -1.393 1
1 1331 . 8 1 1 A 105 105 THR H H 105 8.119 8.249 -0.130 1
1 1332 . 8 1 1 A 105 105 THR HA H 105 4.389 4.081 0.308 1
1 1337 . 8 1 1 A 105 105 THR C C 105 173.508 175.528 -2.020 1
1 1338 . 8 1 1 A 105 105 THR CA C 105 61.580 65.642 -4.062 1
1 1339 . 8 1 1 A 105 105 THR CB C 105 69.840 67.954 1.886 1
1 1341 . 8 1 1 A 105 105 THR N N 105 113.632 113.414 0.218 1
1 1342 . 8 1 1 A 106 106 CYS H H 106 8.013 8.144 -0.131 1
1 1343 . 8 1 1 A 106 106 CYS N N 106 129.098 119.137 9.961 1
1 1344 . 8 1 1 A 107 107 ASP HA H 107 4.606 5.045 -0.439 1
1 1347 . 8 1 1 A 107 107 ASP C C 107 176.075 173.573 2.502 1
1 1348 . 8 1 1 A 107 107 ASP CA C 107 54.790 53.725 1.065 1
1 1349 . 8 1 1 A 107 107 ASP CB C 107 40.990 44.794 -3.804 1
1 1350 . 8 1 1 A 108 108 LYS H H 108 8.216 8.539 -0.323 1
1 1351 . 8 1 1 A 108 108 LYS HA H 108 4.326 4.659 -0.333 1
1 1360 . 8 1 1 A 108 108 LYS C C 108 176.490 175.425 1.065 1
1 1361 . 8 1 1 A 108 108 LYS CA C 108 56.140 55.614 0.526 1
1 1362 . 8 1 1 A 108 108 LYS CB C 108 32.910 33.616 -0.706 1
1 1366 . 8 1 1 A 108 108 LYS N N 108 121.982 125.278 -3.296 1
1 1367 . 8 1 1 A 109 109 LYS H H 109 8.411 8.526 -0.115 1
1 1368 . 8 1 1 A 109 109 LYS HA H 109 4.344 4.855 -0.511 1
1 1377 . 8 1 1 A 109 109 LYS C C 109 175.583 175.333 0.250 1
1 1378 . 8 1 1 A 109 109 LYS CA C 109 56.150 55.184 0.966 1
1 1379 . 8 1 1 A 109 109 LYS CB C 109 33.050 34.110 -1.060 1
1 1383 . 8 1 1 A 109 109 LYS N N 109 122.966 128.562 -5.596 1
1 14 . 9 1 1 A 2 2 LEU H H 2 8.858 7.594 1.264 1
1 15 . 9 1 1 A 2 2 LEU HA H 2 4.010 3.927 0.083 1
1 25 . 9 1 1 A 2 2 LEU C C 2 179.512 178.315 1.197 1
1 26 . 9 1 1 A 2 2 LEU CA C 2 57.230 56.009 1.221 1
1 27 . 9 1 1 A 2 2 LEU CB C 2 41.500 41.240 0.260 1
1 31 . 9 1 1 A 2 2 LEU N N 2 124.589 119.655 4.934 1
1 32 . 9 1 1 A 3 3 GLU H H 3 9.299 9.025 0.274 1
1 33 . 9 1 1 A 3 3 GLU HA H 3 4.234 4.625 -0.391 1
1 38 . 9 1 1 A 3 3 GLU C C 3 178.189 177.581 0.608 1
1 39 . 9 1 1 A 3 3 GLU CA C 3 59.930 58.629 1.301 1
1 40 . 9 1 1 A 3 3 GLU CB C 3 28.810 27.988 0.822 1
1 42 . 9 1 1 A 3 3 GLU N N 3 118.833 121.952 -3.119 1
1 43 . 9 1 1 A 4 4 ASP H H 4 8.188 8.342 -0.154 1
1 44 . 9 1 1 A 4 4 ASP HA H 4 4.524 4.490 0.034 1
1 47 . 9 1 1 A 4 4 ASP C C 4 176.722 177.727 -1.005 1
1 48 . 9 1 1 A 4 4 ASP CA C 4 56.240 56.572 -0.332 1
1 49 . 9 1 1 A 4 4 ASP CB C 4 39.910 41.082 -1.172 1
1 50 . 9 1 1 A 4 4 ASP N N 4 118.286 120.058 -1.772 1
1 51 . 9 1 1 A 5 5 TYR H H 5 8.336 8.081 0.255 1
1 52 . 9 1 1 A 5 5 TYR HA H 5 4.284 4.540 -0.256 1
1 59 . 9 1 1 A 5 5 TYR C C 5 172.456 175.503 -3.047 1
1 60 . 9 1 1 A 5 5 TYR CA C 5 58.770 58.538 0.232 1
1 61 . 9 1 1 A 5 5 TYR CB C 5 37.820 37.948 -0.128 1
1 64 . 9 1 1 A 5 5 TYR N N 5 119.641 116.198 3.443 1
1 65 . 9 1 1 A 6 6 ALA H H 6 6.748 6.964 -0.216 1
1 66 . 9 1 1 A 6 6 ALA HA H 6 3.470 3.353 0.117 1
1 70 . 9 1 1 A 6 6 ALA C C 6 178.122 176.441 1.681 1
1 71 . 9 1 1 A 6 6 ALA CA C 6 51.440 51.348 0.092 1
1 72 . 9 1 1 A 6 6 ALA CB C 6 19.600 18.802 0.798 1
1 73 . 9 1 1 A 6 6 ALA N N 6 122.727 123.602 -0.875 1
1 74 . 9 1 1 A 7 7 ILE H H 7 8.665 8.112 0.553 1
1 75 . 9 1 1 A 7 7 ILE HA H 7 4.303 4.657 -0.354 1
1 85 . 9 1 1 A 7 7 ILE C C 7 174.386 175.646 -1.260 1
1 86 . 9 1 1 A 7 7 ILE CA C 7 58.640 59.887 -1.247 1
1 87 . 9 1 1 A 7 7 ILE CB C 7 39.820 39.202 0.618 1
1 91 . 9 1 1 A 7 7 ILE N N 7 124.318 124.314 0.004 1
1 92 . 9 1 1 A 8 8 SER H H 8 8.884 8.848 0.036 1
1 93 . 9 1 1 A 8 8 SER HA H 8 4.881 4.590 0.291 1
1 96 . 9 1 1 A 8 8 SER C C 8 176.268 175.410 0.858 1
1 97 . 9 1 1 A 8 8 SER CA C 8 57.157 58.372 -1.215 1
1 98 . 9 1 1 A 8 8 SER CB C 8 64.390 64.245 0.145 1
1 99 . 9 1 1 A 8 8 SER N N 8 122.739 122.763 -0.024 1
1 100 . 9 1 1 A 9 9 LEU H H 9 8.077 8.280 -0.203 1
1 101 . 9 1 1 A 9 9 LEU HA H 9 3.652 3.888 -0.236 1
1 111 . 9 1 1 A 9 9 LEU C C 9 175.322 178.452 -3.130 1
1 112 . 9 1 1 A 9 9 LEU CA C 9 57.190 58.353 -1.163 1
1 113 . 9 1 1 A 9 9 LEU CB C 9 42.290 41.079 1.211 1
1 117 . 9 1 1 A 9 9 LEU N N 9 126.321 127.952 -1.631 1
1 118 . 9 1 1 A 10 10 GLU H H 10 8.361 9.630 -1.269 1
1 119 . 9 1 1 A 10 10 GLU HA H 10 3.754 4.544 -0.790 1
1 124 . 9 1 1 A 10 10 GLU C C 10 176.452 177.213 -0.761 1
1 125 . 9 1 1 A 10 10 GLU CA C 10 58.470 58.529 -0.059 1
1 126 . 9 1 1 A 10 10 GLU CB C 10 29.480 28.112 1.368 1
1 128 . 9 1 1 A 10 10 GLU N N 10 112.911 118.134 -5.223 1
1 129 . 9 1 1 A 11 11 GLU H H 11 7.284 8.088 -0.804 1
1 130 . 9 1 1 A 11 11 GLU HA H 11 4.531 4.551 -0.020 1
1 135 . 9 1 1 A 11 11 GLU C C 11 176.539 176.117 0.422 1
1 136 . 9 1 1 A 11 11 GLU CA C 11 55.240 56.068 -0.828 1
1 137 . 9 1 1 A 11 11 GLU CB C 11 32.160 30.906 1.254 1
1 139 . 9 1 1 A 11 11 GLU N N 11 114.276 115.695 -1.419 1
1 140 . 9 1 1 A 12 12 VAL H H 12 7.077 7.395 -0.318 1
1 141 . 9 1 1 A 12 12 VAL HA H 12 3.677 3.955 -0.278 1
1 149 . 9 1 1 A 12 12 VAL C C 12 173.900 175.021 -1.121 1
1 150 . 9 1 1 A 12 12 VAL CA C 12 62.510 62.025 0.485 1
1 151 . 9 1 1 A 12 12 VAL CB C 12 31.920 32.188 -0.268 1
1 154 . 9 1 1 A 12 12 VAL N N 12 121.932 121.178 0.754 1
1 155 . 9 1 1 A 13 13 ASN H H 13 7.996 8.731 -0.735 1
1 156 . 9 1 1 A 13 13 ASN HA H 13 4.840 5.334 -0.494 1
1 161 . 9 1 1 A 13 13 ASN C C 13 176.876 175.382 1.494 1
1 162 . 9 1 1 A 13 13 ASN CA C 13 52.168 52.090 0.078 1
1 163 . 9 1 1 A 13 13 ASN CB C 13 38.500 39.825 -1.325 1
1 164 . 9 1 1 A 13 13 ASN N N 13 121.232 125.489 -4.257 1
1 166 . 9 1 1 A 14 14 PHE H H 14 6.268 8.178 -1.910 1
1 167 . 9 1 1 A 14 14 PHE HA H 14 3.868 4.289 -0.421 1
1 175 . 9 1 1 A 14 14 PHE C C 14 176.423 177.984 -1.561 1
1 176 . 9 1 1 A 14 14 PHE CA C 14 62.520 60.813 1.707 1
1 177 . 9 1 1 A 14 14 PHE CB C 14 38.780 38.651 0.129 1
1 181 . 9 1 1 A 14 14 PHE N N 14 120.637 121.981 -1.344 1
1 182 . 9 1 1 A 15 15 ASN H H 15 8.184 8.239 -0.055 1
1 183 . 9 1 1 A 15 15 ASN HA H 15 4.602 4.542 0.060 1
1 188 . 9 1 1 A 15 15 ASN C C 15 175.738 177.632 -1.894 1
1 189 . 9 1 1 A 15 15 ASN CA C 15 55.240 56.026 -0.786 1
1 190 . 9 1 1 A 15 15 ASN CB C 15 38.270 38.316 -0.046 1
1 191 . 9 1 1 A 15 15 ASN N N 15 113.599 117.253 -3.654 1
1 193 . 9 1 1 A 16 16 ASP H H 16 7.680 7.523 0.157 1
1 194 . 9 1 1 A 16 16 ASP HA H 16 4.450 4.158 0.292 1
1 197 . 9 1 1 A 16 16 ASP C C 16 174.589 175.349 -0.760 1
1 198 . 9 1 1 A 16 16 ASP CA C 16 54.860 55.913 -1.053 1
1 199 . 9 1 1 A 16 16 ASP CB C 16 41.140 40.460 0.680 1
1 200 . 9 1 1 A 16 16 ASP N N 16 117.808 118.578 -0.770 1
1 201 . 9 1 1 A 17 17 PHE H H 17 7.648 7.385 0.263 1
1 202 . 9 1 1 A 17 17 PHE HA H 17 4.788 5.126 -0.338 1
1 210 . 9 1 1 A 17 17 PHE C C 17 175.516 175.141 0.375 1
1 211 . 9 1 1 A 17 17 PHE CA C 17 56.790 56.481 0.309 1
1 212 . 9 1 1 A 17 17 PHE CB C 17 44.090 42.583 1.507 1
1 216 . 9 1 1 A 17 17 PHE N N 17 116.207 115.614 0.593 1
1 217 . 9 1 1 A 18 18 ILE H H 18 8.674 9.242 -0.568 1
1 218 . 9 1 1 A 18 18 ILE HA H 18 4.335 4.710 -0.375 1
1 228 . 9 1 1 A 18 18 ILE C C 18 175.612 175.766 -0.154 1
1 229 . 9 1 1 A 18 18 ILE CA C 18 60.930 60.536 0.394 1
1 230 . 9 1 1 A 18 18 ILE CB C 18 37.620 38.428 -0.808 1
1 234 . 9 1 1 A 18 18 ILE N N 18 121.498 121.964 -0.466 1
1 235 . 9 1 1 A 19 19 VAL H H 19 9.009 8.241 0.768 1
1 236 . 9 1 1 A 19 19 VAL HA H 19 4.760 4.929 -0.169 1
1 244 . 9 1 1 A 19 19 VAL C C 19 175.622 175.549 0.073 1
1 245 . 9 1 1 A 19 19 VAL CA C 19 62.974 61.700 1.274 1
1 246 . 9 1 1 A 19 19 VAL CB C 19 32.770 32.770 0.000 1
1 249 . 9 1 1 A 19 19 VAL N N 19 129.378 128.041 1.337 1
1 250 . 9 1 1 A 20 20 VAL H H 20 9.606 9.114 0.492 1
1 251 . 9 1 1 A 20 20 VAL HA H 20 4.581 4.507 0.074 1
1 259 . 9 1 1 A 20 20 VAL C C 20 172.234 174.565 -2.331 1
1 260 . 9 1 1 A 20 20 VAL CA C 20 60.660 60.576 0.084 1
1 261 . 9 1 1 A 20 20 VAL CB C 20 33.910 35.191 -1.281 1
1 264 . 9 1 1 A 20 20 VAL N N 20 131.965 127.257 4.708 1
1 265 . 9 1 1 A 21 21 ASP H H 21 8.367 8.833 -0.466 1
1 266 . 9 1 1 A 21 21 ASP HA H 21 4.105 4.341 -0.236 1
1 269 . 9 1 1 A 21 21 ASP C C 21 176.182 175.357 0.825 1
1 270 . 9 1 1 A 21 21 ASP CA C 21 50.850 53.128 -2.278 1
1 271 . 9 1 1 A 21 21 ASP CB C 21 43.460 40.969 2.491 1
1 272 . 9 1 1 A 21 21 ASP N N 21 129.516 127.516 2.000 1
1 273 . 9 1 1 A 22 22 VAL H H 22 8.095 8.033 0.062 1
1 274 . 9 1 1 A 22 22 VAL HA H 22 5.720 4.867 0.853 1
1 282 . 9 1 1 A 22 22 VAL C C 22 178.006 175.086 2.920 1
1 283 . 9 1 1 A 22 22 VAL CA C 22 58.990 61.230 -2.240 1
1 284 . 9 1 1 A 22 22 VAL CB C 22 30.150 31.523 -1.373 1
1 287 . 9 1 1 A 22 22 VAL N N 22 114.833 120.224 -5.391 1
1 288 . 9 1 1 A 23 23 ARG H H 23 7.467 8.270 -0.803 1
1 289 . 9 1 1 A 23 23 ARG HA H 23 4.358 4.531 -0.173 1
1 299 . 9 1 1 A 23 23 ARG C C 23 172.157 175.955 -3.798 1
1 300 . 9 1 1 A 23 23 ARG CA C 23 56.190 56.703 -0.513 1
1 301 . 9 1 1 A 23 23 ARG CB C 23 31.230 32.840 -1.610 1
1 304 . 9 1 1 A 23 23 ARG N N 23 120.418 125.119 -4.701 1
1 307 . 9 1 1 A 24 24 GLU H H 24 7.372 7.479 -0.107 1
1 308 . 9 1 1 A 24 24 GLU HA H 24 4.454 4.595 -0.141 1
1 313 . 9 1 1 A 24 24 GLU C C 24 178.807 176.064 2.743 1
1 314 . 9 1 1 A 24 24 GLU CA C 24 53.870 55.766 -1.896 1
1 315 . 9 1 1 A 24 24 GLU CB C 24 31.610 33.239 -1.629 1
1 317 . 9 1 1 A 24 24 GLU N N 24 111.001 115.263 -4.262 1
1 318 . 9 1 1 A 25 25 LEU H H 25 8.842 8.505 0.337 1
1 319 . 9 1 1 A 25 25 LEU HA H 25 3.922 3.960 -0.038 1
1 329 . 9 1 1 A 25 25 LEU C C 25 177.591 177.634 -0.043 1
1 330 . 9 1 1 A 25 25 LEU CA C 25 58.800 58.243 0.557 1
1 331 . 9 1 1 A 25 25 LEU CB C 25 42.000 41.187 0.813 1
1 335 . 9 1 1 A 25 25 LEU N N 25 122.468 126.196 -3.728 1
1 336 . 9 1 1 A 26 26 ASP H H 26 8.671 8.109 0.562 1
1 337 . 9 1 1 A 26 26 ASP HA H 26 4.389 4.238 0.151 1
1 340 . 9 1 1 A 26 26 ASP C C 26 178.739 178.099 0.640 1
1 341 . 9 1 1 A 26 26 ASP CA C 26 56.540 58.007 -1.467 1
1 342 . 9 1 1 A 26 26 ASP CB C 26 39.570 42.116 -2.546 1
1 343 . 9 1 1 A 26 26 ASP N N 26 114.189 119.182 -4.993 1
1 344 . 9 1 1 A 27 27 GLU H H 27 7.235 8.392 -1.157 1
1 345 . 9 1 1 A 27 27 GLU HA H 27 4.304 4.034 0.270 1
1 350 . 9 1 1 A 27 27 GLU C C 27 177.678 178.407 -0.729 1
1 351 . 9 1 1 A 27 27 GLU CA C 27 58.830 59.242 -0.412 1
1 352 . 9 1 1 A 27 27 GLU CB C 27 30.650 28.944 1.706 1
1 354 . 9 1 1 A 27 27 GLU N N 27 120.618 117.581 3.037 1
1 355 . 9 1 1 A 28 28 TYR H H 28 7.703 7.835 -0.132 1
1 356 . 9 1 1 A 28 28 TYR HA H 28 4.149 3.937 0.212 1
1 363 . 9 1 1 A 28 28 TYR C C 28 177.108 177.896 -0.788 1
1 364 . 9 1 1 A 28 28 TYR CA C 28 60.600 61.422 -0.822 1
1 365 . 9 1 1 A 28 28 TYR CB C 28 39.300 38.673 0.627 1
1 370 . 9 1 1 A 28 28 TYR N N 28 121.871 121.583 0.288 1
1 371 . 9 1 1 A 29 29 GLU H H 29 8.727 8.143 0.584 1
1 372 . 9 1 1 A 29 29 GLU HA H 29 3.823 3.878 -0.055 1
1 377 . 9 1 1 A 29 29 GLU C C 29 177.456 178.772 -1.316 1
1 378 . 9 1 1 A 29 29 GLU CA C 29 58.770 59.876 -1.106 1
1 379 . 9 1 1 A 29 29 GLU CB C 29 29.880 29.281 0.599 1
1 381 . 9 1 1 A 29 29 GLU N N 29 116.326 117.985 -1.659 1
1 382 . 9 1 1 A 30 30 GLU H H 30 7.225 7.968 -0.743 1
1 383 . 9 1 1 A 30 30 GLU HA H 30 4.219 4.254 -0.035 1
1 388 . 9 1 1 A 30 30 GLU C C 30 177.012 176.508 0.504 1
1 389 . 9 1 1 A 30 30 GLU CA C 30 59.750 58.292 1.458 1
1 390 . 9 1 1 A 30 30 GLU CB C 30 29.310 29.750 -0.440 1
1 392 . 9 1 1 A 30 30 GLU N N 30 119.394 116.213 3.181 1
1 393 . 9 1 1 A 31 31 LEU H H 31 7.512 7.496 0.016 1
1 394 . 9 1 1 A 31 31 LEU HA H 31 5.102 4.504 0.598 1
1 404 . 9 1 1 A 31 31 LEU C C 31 173.363 174.739 -1.376 1
1 405 . 9 1 1 A 31 31 LEU CA C 31 55.760 53.575 2.185 1
1 406 . 9 1 1 A 31 31 LEU CB C 31 42.880 44.300 -1.420 1
1 410 . 9 1 1 A 31 31 LEU N N 31 118.039 116.661 1.378 1
1 411 . 9 1 1 A 32 32 HIS H H 32 8.196 8.243 -0.047 1
1 412 . 9 1 1 A 32 32 HIS HA H 32 4.433 5.059 -0.626 1
1 417 . 9 1 1 A 32 32 HIS C C 32 171.973 171.970 0.003 1
1 418 . 9 1 1 A 32 32 HIS CA C 32 54.660 54.059 0.601 1
1 419 . 9 1 1 A 32 32 HIS CB C 32 31.500 31.807 -0.307 1
1 422 . 9 1 1 A 32 32 HIS N N 32 114.425 115.596 -1.171 1
1 423 . 9 1 1 A 33 33 LEU H H 33 10.099 8.736 1.363 1
1 424 . 9 1 1 A 33 33 LEU HA H 33 4.745 4.278 0.467 1
1 434 . 9 1 1 A 33 33 LEU CA C 33 53.423 52.783 0.640 1
1 435 . 9 1 1 A 33 33 LEU CB C 33 42.750 41.347 1.403 1
1 439 . 9 1 1 A 33 33 LEU N N 33 124.819 120.736 4.083 1
1 440 . 9 1 1 A 34 34 PRO HA H 34 4.328 4.394 -0.066 1
1 447 . 9 1 1 A 34 34 PRO C C 34 177.012 177.583 -0.571 1
1 448 . 9 1 1 A 34 34 PRO CA C 34 64.440 64.334 0.106 1
1 449 . 9 1 1 A 34 34 PRO CB C 34 31.660 31.864 -0.204 1
1 452 . 9 1 1 A 35 35 ASN H H 35 8.736 8.379 0.357 1
1 453 . 9 1 1 A 35 35 ASN HA H 35 4.701 4.904 -0.203 1
1 458 . 9 1 1 A 35 35 ASN C C 35 174.801 174.591 0.210 1
1 459 . 9 1 1 A 35 35 ASN CA C 35 53.470 53.039 0.431 1
1 460 . 9 1 1 A 35 35 ASN CB C 35 37.650 38.981 -1.331 1
1 461 . 9 1 1 A 35 35 ASN N N 35 113.231 115.506 -2.275 1
1 463 . 9 1 1 A 36 36 ALA H H 36 7.434 7.119 0.315 1
1 464 . 9 1 1 A 36 36 ALA HA H 36 4.523 5.018 -0.495 1
1 468 . 9 1 1 A 36 36 ALA C C 36 177.494 176.557 0.937 1
1 469 . 9 1 1 A 36 36 ALA CA C 36 52.700 50.201 2.499 1
1 470 . 9 1 1 A 36 36 ALA CB C 36 21.760 20.770 0.990 1
1 471 . 9 1 1 A 36 36 ALA N N 36 122.419 122.605 -0.186 1
1 472 . 9 1 1 A 37 37 THR H H 37 8.334 8.460 -0.126 1
1 473 . 9 1 1 A 37 37 THR HA H 37 4.184 4.356 -0.172 1
1 479 . 9 1 1 A 37 37 THR C C 37 172.359 173.856 -1.497 1
1 480 . 9 1 1 A 37 37 THR CA C 37 63.020 62.959 0.061 1
1 481 . 9 1 1 A 37 37 THR CB C 37 69.800 69.034 0.766 1
1 483 . 9 1 1 A 37 37 THR N N 37 121.183 118.944 2.239 1
1 484 . 9 1 1 A 38 38 LEU H H 38 8.306 8.562 -0.256 1
1 485 . 9 1 1 A 38 38 LEU HA H 38 4.815 4.525 0.290 1
1 495 . 9 1 1 A 38 38 LEU C C 38 176.529 174.962 1.567 1
1 496 . 9 1 1 A 38 38 LEU CA C 38 53.873 54.532 -0.659 1
1 497 . 9 1 1 A 38 38 LEU CB C 38 41.830 42.281 -0.451 1
1 501 . 9 1 1 A 38 38 LEU N N 38 130.981 129.975 1.006 1
1 502 . 9 1 1 A 39 39 ILE H H 39 8.612 8.125 0.487 1
1 503 . 9 1 1 A 39 39 ILE HA H 39 3.779 4.620 -0.841 1
1 513 . 9 1 1 A 39 39 ILE C C 39 172.186 174.377 -2.191 1
1 514 . 9 1 1 A 39 39 ILE CA C 39 62.040 59.614 2.426 1
1 515 . 9 1 1 A 39 39 ILE CB C 39 40.360 42.232 -1.872 1
1 519 . 9 1 1 A 39 39 ILE N N 39 131.100 128.840 2.260 1
1 520 . 9 1 1 A 40 40 SER H H 40 8.123 8.424 -0.301 1
1 521 . 9 1 1 A 40 40 SER HA H 40 3.904 4.616 -0.712 1
1 524 . 9 1 1 A 40 40 SER C C 40 177.629 175.093 2.536 1
1 525 . 9 1 1 A 40 40 SER CA C 40 58.810 57.827 0.983 1
1 526 . 9 1 1 A 40 40 SER CB C 40 63.090 64.307 -1.217 1
1 527 . 9 1 1 A 40 40 SER N N 40 118.068 120.803 -2.735 1
1 528 . 9 1 1 A 41 41 VAL H H 41 7.739 8.536 -0.797 1
1 529 . 9 1 1 A 41 41 VAL HA H 41 3.913 3.913 0.000 1
1 537 . 9 1 1 A 41 41 VAL C C 41 174.714 177.618 -2.904 1
1 538 . 9 1 1 A 41 41 VAL CA C 41 58.990 64.855 -5.865 1
1 539 . 9 1 1 A 41 41 VAL CB C 41 31.730 31.794 -0.064 1
1 542 . 9 1 1 A 41 41 VAL N N 41 124.290 126.324 -2.034 1
1 543 . 9 1 1 A 42 42 ASN H H 42 8.344 8.085 0.259 1
1 544 . 9 1 1 A 42 42 ASN HA H 42 4.630 4.515 0.115 1
1 549 . 9 1 1 A 42 42 ASN C C 42 175.699 176.017 -0.318 1
1 550 . 9 1 1 A 42 42 ASN CA C 42 54.860 56.133 -1.273 1
1 551 . 9 1 1 A 42 42 ASN CB C 42 38.610 38.311 0.299 1
1 552 . 9 1 1 A 42 42 ASN N N 42 116.715 118.921 -2.206 1
1 554 . 9 1 1 A 43 43 ASP H H 43 8.417 7.493 0.924 1
1 555 . 9 1 1 A 43 43 ASP HA H 43 5.021 4.884 0.137 1
1 558 . 9 1 1 A 43 43 ASP C C 43 175.699 175.973 -0.274 1
1 559 . 9 1 1 A 43 43 ASP CA C 43 52.300 52.731 -0.431 1
1 560 . 9 1 1 A 43 43 ASP CB C 43 39.540 38.605 0.935 1
1 561 . 9 1 1 A 43 43 ASP N N 43 125.038 119.150 5.888 1
1 562 . 9 1 1 A 44 44 GLN H H 44 7.762 8.117 -0.355 1
1 563 . 9 1 1 A 44 44 GLN HA H 44 3.815 4.051 -0.236 1
1 570 . 9 1 1 A 44 44 GLN C C 44 178.430 178.249 0.181 1
1 571 . 9 1 1 A 44 44 GLN CA C 44 59.650 59.014 0.636 1
1 572 . 9 1 1 A 44 44 GLN CB C 44 28.760 28.153 0.607 1
1 574 . 9 1 1 A 44 44 GLN N N 44 119.490 122.793 -3.303 1
1 576 . 9 1 1 A 45 45 GLU H H 45 8.705 8.416 0.289 1
1 577 . 9 1 1 A 45 45 GLU HA H 45 4.059 4.064 -0.005 1
1 582 . 9 1 1 A 45 45 GLU C C 45 178.739 178.822 -0.083 1
1 583 . 9 1 1 A 45 45 GLU CA C 45 59.660 59.360 0.300 1
1 584 . 9 1 1 A 45 45 GLU CB C 45 28.900 29.087 -0.187 1
1 586 . 9 1 1 A 45 45 GLU N N 45 119.373 118.692 0.681 1
1 587 . 9 1 1 A 46 46 LYS H H 46 7.545 7.755 -0.210 1
1 588 . 9 1 1 A 46 46 LYS HA H 46 4.119 4.160 -0.041 1
1 597 . 9 1 1 A 46 46 LYS C C 46 179.579 178.732 0.847 1
1 598 . 9 1 1 A 46 46 LYS CA C 46 58.940 59.120 -0.180 1
1 599 . 9 1 1 A 46 46 LYS CB C 46 32.750 32.123 0.627 1
1 603 . 9 1 1 A 46 46 LYS N N 46 120.645 119.914 0.731 1
1 604 . 9 1 1 A 47 47 LEU H H 47 8.005 7.822 0.183 1
1 605 . 9 1 1 A 47 47 LEU HA H 47 4.059 4.082 -0.023 1
1 615 . 9 1 1 A 47 47 LEU C C 47 177.436 178.141 -0.705 1
1 616 . 9 1 1 A 47 47 LEU CA C 47 58.090 57.902 0.188 1
1 617 . 9 1 1 A 47 47 LEU CB C 47 41.150 41.499 -0.349 1
1 621 . 9 1 1 A 47 47 LEU N N 47 122.201 121.236 0.965 1
1 622 . 9 1 1 A 48 48 ALA H H 48 8.239 8.559 -0.320 1
1 623 . 9 1 1 A 48 48 ALA HA H 48 3.733 3.710 0.023 1
1 627 . 9 1 1 A 48 48 ALA C C 48 179.347 179.174 0.173 1
1 628 . 9 1 1 A 48 48 ALA CA C 48 55.420 55.261 0.159 1
1 629 . 9 1 1 A 48 48 ALA CB C 48 18.240 18.186 0.054 1
1 630 . 9 1 1 A 48 48 ALA N N 48 121.483 120.909 0.574 1
1 631 . 9 1 1 A 49 49 ASP H H 49 8.001 7.825 0.176 1
1 632 . 9 1 1 A 49 49 ASP HA H 49 4.308 4.342 -0.034 1
1 635 . 9 1 1 A 49 49 ASP C C 49 179.106 178.106 1.000 1
1 636 . 9 1 1 A 49 49 ASP CA C 49 57.350 57.199 0.151 1
1 637 . 9 1 1 A 49 49 ASP CB C 49 41.250 41.522 -0.272 1
1 638 . 9 1 1 A 49 49 ASP N N 49 117.231 118.782 -1.551 1
1 639 . 9 1 1 A 50 50 PHE H H 50 8.265 8.205 0.060 1
1 640 . 9 1 1 A 50 50 PHE HA H 50 4.101 4.080 0.021 1
1 647 . 9 1 1 A 50 50 PHE C C 50 179.048 176.498 2.550 1
1 648 . 9 1 1 A 50 50 PHE CA C 50 62.590 61.307 1.283 1
1 649 . 9 1 1 A 50 50 PHE CB C 50 39.810 39.254 0.556 1
1 651 . 9 1 1 A 50 50 PHE N N 50 122.379 120.178 2.201 1
1 652 . 9 1 1 A 51 51 LEU H H 51 8.653 8.046 0.607 1
1 653 . 9 1 1 A 51 51 LEU HA H 51 3.789 3.781 0.008 1
1 663 . 9 1 1 A 51 51 LEU C C 51 180.400 178.868 1.532 1
1 664 . 9 1 1 A 51 51 LEU CA C 51 58.140 57.111 1.029 1
1 665 . 9 1 1 A 51 51 LEU CB C 51 38.770 41.176 -2.406 1
1 669 . 9 1 1 A 51 51 LEU N N 51 120.277 119.501 0.776 1
1 670 . 9 1 1 A 52 52 SER H H 52 8.332 7.692 0.640 1
1 671 . 9 1 1 A 52 52 SER HA H 52 4.160 4.320 -0.160 1
1 674 . 9 1 1 A 52 52 SER C C 52 176.220 176.948 -0.728 1
1 675 . 9 1 1 A 52 52 SER CA C 52 61.840 60.978 0.862 1
1 676 . 9 1 1 A 52 52 SER CB C 52 62.850 62.965 -0.115 1
1 677 . 9 1 1 A 52 52 SER N N 52 115.630 114.418 1.212 1
1 678 . 9 1 1 A 53 53 GLN H H 53 7.405 7.881 -0.476 1
1 679 . 9 1 1 A 53 53 GLN HA H 53 4.092 3.988 0.104 1
1 686 . 9 1 1 A 53 53 GLN C C 53 176.046 175.836 0.210 1
1 687 . 9 1 1 A 53 53 GLN CA C 53 56.560 58.594 -2.034 1
1 688 . 9 1 1 A 53 53 GLN CB C 53 28.580 28.678 -0.098 1
1 690 . 9 1 1 A 53 53 GLN N N 53 119.056 118.883 0.173 1
1 692 . 9 1 1 A 54 54 HIS H H 54 7.311 7.736 -0.425 1
1 693 . 9 1 1 A 54 54 HIS HA H 54 4.754 4.972 -0.218 1
1 696 . 9 1 1 A 54 54 HIS C C 54 175.467 174.693 0.774 1
1 697 . 9 1 1 A 54 54 HIS CA C 54 55.562 54.439 1.123 1
1 698 . 9 1 1 A 54 54 HIS CB C 54 29.650 31.025 -1.375 1
1 699 . 9 1 1 A 54 54 HIS N N 54 117.800 115.751 2.049 1
1 700 . 9 1 1 A 55 55 LYS H H 55 7.646 8.652 -1.006 1
1 701 . 9 1 1 A 55 55 LYS HA H 55 4.296 4.365 -0.069 1
1 710 . 9 1 1 A 55 55 LYS C C 55 176.741 175.464 1.277 1
1 711 . 9 1 1 A 55 55 LYS CA C 55 58.710 56.303 2.407 1
1 712 . 9 1 1 A 55 55 LYS CB C 55 32.370 32.567 -0.197 1
1 716 . 9 1 1 A 55 55 LYS N N 55 119.903 123.282 -3.379 1
1 717 . 9 1 1 A 56 56 ASP H H 56 8.853 7.877 0.976 1
1 718 . 9 1 1 A 56 56 ASP HA H 56 4.655 5.026 -0.371 1
1 721 . 9 1 1 A 56 56 ASP C C 56 175.158 174.351 0.807 1
1 722 . 9 1 1 A 56 56 ASP CA C 56 53.930 53.007 0.923 1
1 723 . 9 1 1 A 56 56 ASP CB C 56 40.220 40.938 -0.718 1
1 724 . 9 1 1 A 56 56 ASP N N 56 116.429 121.773 -5.344 1
1 725 . 9 1 1 A 57 57 LYS H H 57 7.655 8.657 -1.002 1
1 726 . 9 1 1 A 57 57 LYS HA H 57 4.701 5.019 -0.318 1
1 735 . 9 1 1 A 57 57 LYS C C 57 175.236 174.233 1.003 1
1 736 . 9 1 1 A 57 57 LYS CA C 57 53.830 54.824 -0.994 1
1 737 . 9 1 1 A 57 57 LYS CB C 57 35.550 34.736 0.814 1
1 741 . 9 1 1 A 57 57 LYS N N 57 119.510 121.202 -1.692 1
1 742 . 9 1 1 A 58 58 LYS H H 58 8.265 8.718 -0.453 1
1 743 . 9 1 1 A 58 58 LYS HA H 58 4.745 5.291 -0.546 1
1 752 . 9 1 1 A 58 58 LYS C C 58 175.651 175.423 0.228 1
1 753 . 9 1 1 A 58 58 LYS CA C 58 56.870 55.274 1.596 1
1 754 . 9 1 1 A 58 58 LYS CB C 58 33.250 35.343 -2.093 1
1 758 . 9 1 1 A 58 58 LYS N N 58 120.091 120.535 -0.444 1
1 759 . 9 1 1 A 59 59 VAL H H 59 9.233 9.315 -0.082 1
1 760 . 9 1 1 A 59 59 VAL HA H 59 5.231 5.168 0.063 1
1 768 . 9 1 1 A 59 59 VAL C C 59 173.556 174.227 -0.671 1
1 769 . 9 1 1 A 59 59 VAL CA C 59 60.930 61.359 -0.429 1
1 770 . 9 1 1 A 59 59 VAL CB C 59 34.300 34.075 0.225 1
1 772 . 9 1 1 A 59 59 VAL N N 59 127.047 127.457 -0.410 1
1 773 . 9 1 1 A 60 60 LEU H H 60 9.228 9.032 0.196 1
1 774 . 9 1 1 A 60 60 LEU HA H 60 4.815 5.143 -0.328 1
1 784 . 9 1 1 A 60 60 LEU C C 60 173.421 174.559 -1.138 1
1 785 . 9 1 1 A 60 60 LEU CA C 60 52.586 53.420 -0.834 1
1 786 . 9 1 1 A 60 60 LEU CB C 60 45.660 45.531 0.129 1
1 790 . 9 1 1 A 60 60 LEU N N 60 129.197 129.549 -0.352 1
1 791 . 9 1 1 A 61 61 LEU H H 61 9.055 9.239 -0.184 1
1 792 . 9 1 1 A 61 61 LEU HA H 61 5.713 5.082 0.631 1
1 802 . 9 1 1 A 61 61 LEU C C 61 176.683 176.714 -0.031 1
1 803 . 9 1 1 A 61 61 LEU CA C 61 52.760 53.789 -1.029 1
1 804 . 9 1 1 A 61 61 LEU CB C 61 43.220 42.142 1.078 1
1 808 . 9 1 1 A 61 61 LEU N N 61 125.903 129.023 -3.120 1
1 809 . 9 1 1 A 62 62 HIS H H 62 9.148 8.911 0.237 1
1 810 . 9 1 1 A 62 62 HIS HA H 62 5.440 5.365 0.075 1
1 816 . 9 1 1 A 62 62 HIS C C 62 172.301 173.996 -1.695 1
1 817 . 9 1 1 A 62 62 HIS CA C 62 54.580 54.084 0.496 1
1 818 . 9 1 1 A 62 62 HIS CB C 62 33.980 31.776 2.204 1
1 821 . 9 1 1 A 62 62 HIS N N 62 119.183 122.288 -3.105 1
1 823 . 9 1 1 A 63 63 CYS H H 63 9.389 8.316 1.073 1
1 824 . 9 1 1 A 63 63 CYS HA H 63 5.021 4.783 0.238 1
1 827 . 9 1 1 A 63 63 CYS C C 63 177.649 175.141 2.508 1
1 828 . 9 1 1 A 63 63 CYS CA C 63 56.460 57.586 -1.126 1
1 829 . 9 1 1 A 63 63 CYS CB C 63 29.400 30.988 -1.588 1
1 830 . 9 1 1 A 63 63 CYS N N 63 120.896 118.223 2.673 1
1 831 . 9 1 1 A 64 64 ARG H H 64 8.658 8.759 -0.101 1
1 832 . 9 1 1 A 64 64 ARG HA H 64 4.425 3.994 0.431 1
1 839 . 9 1 1 A 64 64 ARG C C 64 174.724 177.268 -2.544 1
1 840 . 9 1 1 A 64 64 ARG CA C 64 59.000 58.359 0.641 1
1 841 . 9 1 1 A 64 64 ARG CB C 64 30.820 29.867 0.953 1
1 844 . 9 1 1 A 64 64 ARG N N 64 130.651 126.534 4.117 1
1 845 . 9 1 1 A 65 65 ALA H H 65 8.166 7.596 0.570 1
1 846 . 9 1 1 A 65 65 ALA HA H 65 5.399 4.605 0.794 1
1 850 . 9 1 1 A 65 65 ALA C C 65 177.909 177.578 0.331 1
1 851 . 9 1 1 A 65 65 ALA CA C 65 52.020 53.299 -1.279 1
1 852 . 9 1 1 A 65 65 ALA CB C 65 20.270 21.604 -1.334 1
1 853 . 9 1 1 A 65 65 ALA N N 65 118.548 119.083 -0.535 1
1 854 . 9 1 1 A 66 66 GLY H H 66 9.300 7.459 1.841 1
1 855 . 9 1 1 A 66 66 GLY HA2 H 66 4.872 4.062 0.810 1
1 856 . 9 1 1 A 66 66 GLY HA3 H 66 4.450 4.071 0.379 1
1 857 . 9 1 1 A 66 66 GLY C C 66 176.761 174.832 1.929 1
1 858 . 9 1 1 A 66 66 GLY CA C 66 46.630 45.430 1.200 1
1 859 . 9 1 1 A 66 66 GLY N N 66 114.644 107.100 7.544 1
1 860 . 9 1 1 A 67 67 ARG H H 67 8.118 7.991 0.127 1
1 861 . 9 1 1 A 67 67 ARG HA H 67 4.141 4.035 0.106 1
1 871 . 9 1 1 A 67 67 ARG C C 67 178.691 178.621 0.070 1
1 872 . 9 1 1 A 67 67 ARG CA C 67 60.930 58.597 2.333 1
1 873 . 9 1 1 A 67 67 ARG CB C 67 31.240 29.816 1.424 1
1 876 . 9 1 1 A 67 67 ARG N N 67 121.922 122.128 -0.206 1
1 879 . 9 1 1 A 68 68 ARG H H 68 9.366 7.972 1.394 1
1 880 . 9 1 1 A 68 68 ARG HA H 68 4.282 3.979 0.303 1
1 887 . 9 1 1 A 68 68 ARG C C 68 178.681 179.109 -0.428 1
1 888 . 9 1 1 A 68 68 ARG CA C 68 59.410 58.943 0.467 1
1 889 . 9 1 1 A 68 68 ARG CB C 68 30.760 29.934 0.826 1
1 892 . 9 1 1 A 68 68 ARG N N 68 123.821 118.972 4.849 1
1 893 . 9 1 1 A 69 69 ALA H H 69 10.112 8.106 2.006 1
1 894 . 9 1 1 A 69 69 ALA HA H 69 3.800 4.131 -0.331 1
1 898 . 9 1 1 A 69 69 ALA C C 69 178.334 179.815 -1.481 1
1 899 . 9 1 1 A 69 69 ALA CA C 69 55.960 55.248 0.712 1
1 900 . 9 1 1 A 69 69 ALA CB C 69 17.730 18.586 -0.856 1
1 901 . 9 1 1 A 69 69 ALA N N 69 125.465 122.257 3.208 1
1 902 . 9 1 1 A 70 70 LEU H H 70 7.746 7.928 -0.182 1
1 903 . 9 1 1 A 70 70 LEU HA H 70 3.340 3.070 0.270 1
1 913 . 9 1 1 A 70 70 LEU C C 70 177.996 177.779 0.217 1
1 914 . 9 1 1 A 70 70 LEU CA C 70 57.950 57.855 0.095 1
1 915 . 9 1 1 A 70 70 LEU CB C 70 40.720 41.502 -0.782 1
1 919 . 9 1 1 A 70 70 LEU N N 70 118.427 119.521 -1.094 1
1 920 . 9 1 1 A 71 71 ASP H H 71 7.662 8.199 -0.537 1
1 921 . 9 1 1 A 71 71 ASP HA H 71 4.236 4.131 0.105 1
1 924 . 9 1 1 A 71 71 ASP C C 71 179.560 178.114 1.446 1
1 925 . 9 1 1 A 71 71 ASP CA C 71 57.880 57.768 0.112 1
1 926 . 9 1 1 A 71 71 ASP CB C 71 40.340 41.806 -1.466 1
1 927 . 9 1 1 A 71 71 ASP N N 71 120.180 118.656 1.524 1
1 928 . 9 1 1 A 72 72 ALA H H 72 8.796 8.043 0.753 1
1 929 . 9 1 1 A 72 72 ALA HA H 72 4.101 4.073 0.028 1
1 933 . 9 1 1 A 72 72 ALA C C 72 179.203 179.315 -0.112 1
1 934 . 9 1 1 A 72 72 ALA CA C 72 54.670 55.160 -0.490 1
1 935 . 9 1 1 A 72 72 ALA CB C 72 18.490 17.850 0.640 1
1 936 . 9 1 1 A 72 72 ALA N N 72 122.299 120.941 1.358 1
1 937 . 9 1 1 A 73 73 ALA H H 73 8.672 7.685 0.987 1
1 938 . 9 1 1 A 73 73 ALA HA H 73 3.758 4.146 -0.388 1
1 942 . 9 1 1 A 73 73 ALA C C 73 179.251 179.610 -0.359 1
1 943 . 9 1 1 A 73 73 ALA CA C 73 55.950 55.150 0.800 1
1 944 . 9 1 1 A 73 73 ALA CB C 73 17.660 18.392 -0.732 1
1 945 . 9 1 1 A 73 73 ALA N N 73 121.294 120.160 1.134 1
1 946 . 9 1 1 A 74 74 LYS H H 74 8.914 8.001 0.913 1
1 947 . 9 1 1 A 74 74 LYS HA H 74 3.790 3.828 -0.038 1
1 956 . 9 1 1 A 74 74 LYS C C 74 179.589 179.381 0.208 1
1 957 . 9 1 1 A 74 74 LYS CA C 74 60.620 59.308 1.312 1
1 958 . 9 1 1 A 74 74 LYS CB C 74 32.330 32.249 0.081 1
1 962 . 9 1 1 A 74 74 LYS N N 74 119.404 117.809 1.595 1
1 963 . 9 1 1 A 75 75 SER H H 75 7.874 8.014 -0.140 1
1 964 . 9 1 1 A 75 75 SER HA H 75 4.272 4.099 0.173 1
1 967 . 9 1 1 A 75 75 SER C C 75 176.944 176.940 0.004 1
1 968 . 9 1 1 A 75 75 SER CA C 75 61.840 61.911 -0.071 1
1 969 . 9 1 1 A 75 75 SER CB C 75 62.990 62.697 0.293 1
1 970 . 9 1 1 A 75 75 SER N N 75 114.306 115.585 -1.279 1
1 971 . 9 1 1 A 76 76 MET H H 76 8.401 7.845 0.556 1
1 972 . 9 1 1 A 76 76 MET HA H 76 4.881 4.403 0.478 1
1 980 . 9 1 1 A 76 76 MET C C 76 179.811 178.858 0.953 1
1 981 . 9 1 1 A 76 76 MET CA C 76 56.060 58.228 -2.168 1
1 982 . 9 1 1 A 76 76 MET CB C 76 34.780 32.427 2.353 1
1 985 . 9 1 1 A 76 76 MET N N 76 119.510 119.738 -0.228 1
1 986 . 9 1 1 A 77 77 HIS H H 77 9.450 8.216 1.234 1
1 987 . 9 1 1 A 77 77 HIS HA H 77 5.148 4.705 0.443 1
1 992 . 9 1 1 A 77 77 HIS C C 77 181.596 177.922 3.674 1
1 993 . 9 1 1 A 77 77 HIS CA C 77 59.550 59.465 0.085 1
1 994 . 9 1 1 A 77 77 HIS CB C 77 30.720 29.527 1.193 1
1 997 . 9 1 1 A 77 77 HIS N N 77 123.245 117.917 5.328 1
1 998 . 9 1 1 A 78 78 GLU H H 78 7.832 8.270 -0.438 1
1 999 . 9 1 1 A 78 78 GLU HA H 78 4.159 4.056 0.103 1
1 1004 . 9 1 1 A 78 78 GLU C C 78 177.909 177.990 -0.081 1
1 1005 . 9 1 1 A 78 78 GLU CA C 78 59.110 59.216 -0.106 1
1 1006 . 9 1 1 A 78 78 GLU CB C 78 29.380 29.229 0.151 1
1 1008 . 9 1 1 A 78 78 GLU N N 78 121.124 119.694 1.430 1
1 1009 . 9 1 1 A 79 79 LEU H H 79 7.161 7.375 -0.214 1
1 1010 . 9 1 1 A 79 79 LEU HA H 79 4.360 4.210 0.150 1
1 1020 . 9 1 1 A 79 79 LEU C C 79 176.934 176.746 0.188 1
1 1021 . 9 1 1 A 79 79 LEU CA C 79 54.820 55.099 -0.279 1
1 1022 . 9 1 1 A 79 79 LEU CB C 79 43.300 42.466 0.834 1
1 1026 . 9 1 1 A 79 79 LEU N N 79 116.655 118.281 -1.626 1
1 1027 . 9 1 1 A 80 80 GLY H H 80 7.545 7.936 -0.391 1
1 1028 . 9 1 1 A 80 80 GLY HA2 H 80 4.101 3.736 0.365 1
1 1029 . 9 1 1 A 80 80 GLY HA3 H 80 3.580 3.827 -0.247 1
1 1030 . 9 1 1 A 80 80 GLY C C 80 174.116 174.110 0.006 1
1 1031 . 9 1 1 A 80 80 GLY CA C 80 45.010 44.964 0.046 1
1 1032 . 9 1 1 A 80 80 GLY N N 80 105.216 105.740 -0.524 1
1 1033 . 9 1 1 A 81 81 TYR H H 81 7.519 7.531 -0.012 1
1 1034 . 9 1 1 A 81 81 TYR HA H 81 4.727 4.506 0.221 1
1 1041 . 9 1 1 A 81 81 TYR C C 81 174.377 175.002 -0.625 1
1 1042 . 9 1 1 A 81 81 TYR CA C 81 56.960 58.159 -1.199 1
1 1043 . 9 1 1 A 81 81 TYR CB C 81 40.310 39.274 1.036 1
1 1046 . 9 1 1 A 81 81 TYR N N 81 119.660 120.251 -0.591 1
1 1047 . 9 1 1 A 82 82 THR H H 82 8.786 8.764 0.022 1
1 1048 . 9 1 1 A 82 82 THR HA H 82 3.390 3.713 -0.323 1
1 1053 . 9 1 1 A 82 82 THR CA C 82 57.030 58.279 -1.249 1
1 1054 . 9 1 1 A 82 82 THR CB C 82 68.740 68.823 -0.083 1
1 1056 . 9 1 1 A 82 82 THR N N 82 105.368 113.674 -8.306 1
1 1057 . 9 1 1 A 83 83 PRO HA H 83 5.003 4.823 0.180 1
1 1064 . 9 1 1 A 83 83 PRO C C 83 175.699 176.594 -0.895 1
1 1065 . 9 1 1 A 83 83 PRO CA C 83 63.140 62.550 0.590 1
1 1066 . 9 1 1 A 83 83 PRO CB C 83 31.570 32.366 -0.796 1
1 1069 . 9 1 1 A 84 84 TYR H H 84 9.497 8.782 0.715 1
1 1070 . 9 1 1 A 84 84 TYR HA H 84 5.482 5.137 0.345 1
1 1077 . 9 1 1 A 84 84 TYR C C 84 175.506 175.343 0.163 1
1 1078 . 9 1 1 A 84 84 TYR CA C 84 57.570 57.930 -0.360 1
1 1079 . 9 1 1 A 84 84 TYR CB C 84 40.500 39.123 1.377 1
1 1082 . 9 1 1 A 84 84 TYR N N 84 119.880 120.860 -0.980 1
1 1083 . 9 1 1 A 85 85 TYR H H 85 8.570 8.462 0.108 1
1 1084 . 9 1 1 A 85 85 TYR HA H 85 5.730 5.618 0.112 1
1 1089 . 9 1 1 A 85 85 TYR C C 85 172.215 172.255 -0.040 1
1 1090 . 9 1 1 A 85 85 TYR CA C 85 55.240 55.836 -0.596 1
1 1091 . 9 1 1 A 85 85 TYR CB C 85 40.830 41.574 -0.744 1
1 1093 . 9 1 1 A 85 85 TYR N N 85 116.764 118.110 -1.346 1
1 1094 . 9 1 1 A 86 86 LEU H H 86 8.196 9.175 -0.979 1
1 1095 . 9 1 1 A 86 86 LEU HA H 86 4.881 5.064 -0.183 1
1 1105 . 9 1 1 A 86 86 LEU C C 86 177.552 174.681 2.871 1
1 1106 . 9 1 1 A 86 86 LEU CA C 86 53.376 53.843 -0.467 1
1 1107 . 9 1 1 A 86 86 LEU CB C 86 44.360 44.210 0.150 1
1 1111 . 9 1 1 A 86 86 LEU N N 86 121.589 124.477 -2.888 1
1 1112 . 9 1 1 A 87 87 GLU H H 87 9.146 8.716 0.430 1
1 1113 . 9 1 1 A 87 87 GLU HA H 87 4.797 4.976 -0.179 1
1 1118 . 9 1 1 A 87 87 GLU C C 87 174.965 176.840 -1.875 1
1 1119 . 9 1 1 A 87 87 GLU CA C 87 55.405 55.738 -0.333 1
1 1120 . 9 1 1 A 87 87 GLU CB C 87 30.010 30.243 -0.233 1
1 1122 . 9 1 1 A 87 87 GLU N N 87 128.779 126.874 1.905 1
1 1123 . 9 1 1 A 88 88 GLY H H 88 7.349 8.011 -0.662 1
1 1124 . 9 1 1 A 88 88 GLY HA2 H 88 4.110 4.230 -0.120 1
1 1125 . 9 1 1 A 88 88 GLY HA3 H 88 4.023 4.284 -0.261 1
1 1126 . 9 1 1 A 88 88 GLY C C 88 170.593 171.951 -1.358 1
1 1127 . 9 1 1 A 88 88 GLY CA C 88 44.970 45.893 -0.923 1
1 1128 . 9 1 1 A 88 88 GLY N N 88 112.564 110.898 1.666 1
1 1129 . 9 1 1 A 89 89 ASN H H 89 8.756 8.623 0.133 1
1 1130 . 9 1 1 A 89 89 ASN HA H 89 5.722 5.311 0.411 1
1 1135 . 9 1 1 A 89 89 ASN C C 89 176.336 176.215 0.121 1
1 1136 . 9 1 1 A 89 89 ASN CA C 89 52.210 53.490 -1.280 1
1 1137 . 9 1 1 A 89 89 ASN CB C 89 40.950 38.916 2.034 1
1 1138 . 9 1 1 A 89 89 ASN N N 89 121.363 119.164 2.199 1
1 1140 . 9 1 1 A 90 90 VAL H H 90 8.928 8.540 0.388 1
1 1141 . 9 1 1 A 90 90 VAL HA H 90 4.425 2.013 2.412 1
1 1149 . 9 1 1 A 90 90 VAL C C 90 175.660 176.551 -0.891 1
1 1150 . 9 1 1 A 90 90 VAL CA C 90 58.930 63.930 -5.000 1
1 1151 . 9 1 1 A 90 90 VAL CB C 90 30.860 31.446 -0.586 1
1 1154 . 9 1 1 A 90 90 VAL N N 90 128.990 126.149 2.841 1
1 1155 . 9 1 1 A 91 91 TYR H H 91 8.330 7.771 0.559 1
1 1156 . 9 1 1 A 91 91 TYR HA H 91 4.016 4.144 -0.128 1
1 1163 . 9 1 1 A 91 91 TYR C C 91 175.718 177.797 -2.079 1
1 1164 . 9 1 1 A 91 91 TYR CA C 91 61.700 60.947 0.753 1
1 1165 . 9 1 1 A 91 91 TYR CB C 91 36.580 37.854 -1.274 1
1 1168 . 9 1 1 A 91 91 TYR N N 91 119.510 119.975 -0.465 1
1 1169 . 9 1 1 A 92 92 ASP H H 92 8.654 7.858 0.796 1
1 1170 . 9 1 1 A 92 92 ASP HA H 92 5.146 4.752 0.394 1
1 1173 . 9 1 1 A 92 92 ASP C C 92 177.224 179.063 -1.839 1
1 1174 . 9 1 1 A 92 92 ASP CA C 92 54.290 55.984 -1.694 1
1 1175 . 9 1 1 A 92 92 ASP CB C 92 42.670 40.720 1.950 1
1 1176 . 9 1 1 A 92 92 ASP N N 92 117.541 119.758 -2.217 1
1 1177 . 9 1 1 A 93 93 PHE H H 93 7.673 7.744 -0.071 1
1 1178 . 9 1 1 A 93 93 PHE HA H 93 4.688 4.385 0.303 1
1 1186 . 9 1 1 A 93 93 PHE C C 93 179.270 178.463 0.807 1
1 1187 . 9 1 1 A 93 93 PHE CA C 93 60.340 61.661 -1.321 1
1 1188 . 9 1 1 A 93 93 PHE CB C 93 36.010 38.704 -2.694 1
1 1192 . 9 1 1 A 93 93 PHE N N 93 123.205 117.822 5.383 1
1 1193 . 9 1 1 A 94 94 GLU H H 94 9.164 8.588 0.576 1
1 1194 . 9 1 1 A 94 94 GLU HA H 94 4.676 4.437 0.239 1
1 1199 . 9 1 1 A 94 94 GLU C C 94 180.805 179.027 1.778 1
1 1200 . 9 1 1 A 94 94 GLU CA C 94 59.240 59.911 -0.671 1
1 1201 . 9 1 1 A 94 94 GLU CB C 94 29.640 29.735 -0.095 1
1 1203 . 9 1 1 A 94 94 GLU N N 94 118.657 119.792 -1.135 1
1 1204 . 9 1 1 A 95 95 LYS H H 95 8.005 8.362 -0.357 1
1 1205 . 9 1 1 A 95 95 LYS HA H 95 4.103 4.189 -0.086 1
1 1214 . 9 1 1 A 95 95 LYS C C 95 177.948 178.401 -0.453 1
1 1215 . 9 1 1 A 95 95 LYS CA C 95 58.680 59.035 -0.355 1
1 1216 . 9 1 1 A 95 95 LYS CB C 95 31.690 32.129 -0.439 1
1 1220 . 9 1 1 A 95 95 LYS N N 95 121.494 118.596 2.898 1
1 1221 . 9 1 1 A 96 96 TYR H H 96 7.710 7.853 -0.143 1
1 1222 . 9 1 1 A 96 96 TYR HA H 96 4.332 4.503 -0.171 1
1 1229 . 9 1 1 A 96 96 TYR C C 96 174.550 175.831 -1.281 1
1 1230 . 9 1 1 A 96 96 TYR CA C 96 59.370 59.417 -0.047 1
1 1231 . 9 1 1 A 96 96 TYR CB C 96 38.340 38.923 -0.583 1
1 1234 . 9 1 1 A 96 96 TYR N N 96 117.421 118.624 -1.203 1
1 1235 . 9 1 1 A 97 97 GLY H H 97 7.796 7.823 -0.027 1
1 1236 . 9 1 1 A 97 97 GLY HA2 H 97 3.966 3.935 0.031 1
1 1237 . 9 1 1 A 97 97 GLY HA3 H 97 3.580 4.057 -0.477 1
1 1238 . 9 1 1 A 97 97 GLY C C 97 173.662 174.070 -0.408 1
1 1239 . 9 1 1 A 97 97 GLY CA C 97 45.160 45.065 0.095 1
1 1240 . 9 1 1 A 97 97 GLY N N 97 105.806 106.443 -0.637 1
1 1241 . 9 1 1 A 98 98 PHE H H 98 7.323 7.881 -0.558 1
1 1242 . 9 1 1 A 98 98 PHE HA H 98 4.644 4.622 0.022 1
1 1250 . 9 1 1 A 98 98 PHE C C 98 173.353 175.057 -1.704 1
1 1251 . 9 1 1 A 98 98 PHE CA C 98 57.490 57.890 -0.400 1
1 1252 . 9 1 1 A 98 98 PHE CB C 98 38.550 40.520 -1.970 1
1 1256 . 9 1 1 A 98 98 PHE N N 98 120.718 118.710 2.008 1
1 1257 . 9 1 1 A 99 99 ARG H H 99 7.903 8.790 -0.887 1
1 1258 . 9 1 1 A 99 99 ARG HA H 99 4.283 4.495 -0.212 1
1 1265 . 9 1 1 A 99 99 ARG C C 99 175.680 175.067 0.613 1
1 1266 . 9 1 1 A 99 99 ARG CA C 99 56.320 56.895 -0.575 1
1 1267 . 9 1 1 A 99 99 ARG CB C 99 30.610 30.919 -0.309 1
1 1270 . 9 1 1 A 99 99 ARG N N 99 122.817 124.314 -1.497 1
1 1271 . 9 1 1 A 100 100 MET H H 100 8.133 9.086 -0.953 1
1 1272 . 9 1 1 A 100 100 MET HA H 100 4.843 5.256 -0.413 1
1 1280 . 9 1 1 A 100 100 MET C C 100 175.255 174.484 0.771 1
1 1281 . 9 1 1 A 100 100 MET CA C 100 52.343 54.003 -1.660 1
1 1282 . 9 1 1 A 100 100 MET CB C 100 34.410 37.588 -3.178 1
1 1285 . 9 1 1 A 100 100 MET N N 100 121.483 125.020 -3.537 1
1 1286 . 9 1 1 A 101 101 VAL H H 101 8.471 8.247 0.224 1
1 1287 . 9 1 1 A 101 101 VAL HA H 101 3.890 5.028 -1.138 1
1 1295 . 9 1 1 A 101 101 VAL C C 101 175.351 174.277 1.074 1
1 1296 . 9 1 1 A 101 101 VAL CA C 101 61.500 60.435 1.065 1
1 1297 . 9 1 1 A 101 101 VAL CB C 101 31.730 34.962 -3.232 1
1 1300 . 9 1 1 A 101 101 VAL N N 101 119.940 120.665 -0.725 1
1 1301 . 9 1 1 A 102 102 TYR H H 102 8.612 8.903 -0.291 1
1 1302 . 9 1 1 A 102 102 TYR HA H 102 4.938 5.199 -0.261 1
1 1309 . 9 1 1 A 102 102 TYR C C 102 175.892 175.576 0.316 1
1 1310 . 9 1 1 A 102 102 TYR CA C 102 57.140 56.663 0.477 1
1 1311 . 9 1 1 A 102 102 TYR CB C 102 40.990 42.072 -1.082 1
1 1314 . 9 1 1 A 102 102 TYR N N 102 126.390 124.820 1.570 1
1 1315 . 9 1 1 A 103 103 ASP H H 103 8.071 9.277 -1.206 1
1 1316 . 9 1 1 A 103 103 ASP HA H 103 4.621 4.413 0.208 1
1 1319 . 9 1 1 A 103 103 ASP C C 103 176.220 175.849 0.371 1
1 1320 . 9 1 1 A 103 103 ASP CA C 103 55.050 54.749 0.301 1
1 1321 . 9 1 1 A 103 103 ASP CB C 103 40.220 40.228 -0.008 1
1 1322 . 9 1 1 A 103 103 ASP N N 103 120.738 123.133 -2.395 1
1 1323 . 9 1 1 A 104 104 ASP H H 104 8.642 7.939 0.703 1
1 1324 . 9 1 1 A 104 104 ASP HA H 104 4.730 4.396 0.334 1
1 1327 . 9 1 1 A 104 104 ASP C C 104 176.095 176.955 -0.860 1
1 1328 . 9 1 1 A 104 104 ASP CA C 104 53.510 56.554 -3.044 1
1 1329 . 9 1 1 A 104 104 ASP CB C 104 41.060 40.512 0.548 1
1 1330 . 9 1 1 A 104 104 ASP N N 104 121.582 117.007 4.575 1
1 1331 . 9 1 1 A 105 105 THR H H 105 8.119 7.289 0.830 1
1 1332 . 9 1 1 A 105 105 THR HA H 105 4.389 4.304 0.085 1
1 1337 . 9 1 1 A 105 105 THR C C 105 173.508 173.357 0.151 1
1 1338 . 9 1 1 A 105 105 THR CA C 105 61.580 61.728 -0.148 1
1 1339 . 9 1 1 A 105 105 THR CB C 105 69.840 68.970 0.870 1
1 1341 . 9 1 1 A 105 105 THR N N 105 113.632 115.134 -1.502 1
1 1342 . 9 1 1 A 106 106 CYS H H 106 8.013 8.749 -0.736 1
1 1343 . 9 1 1 A 106 106 CYS N N 106 129.098 129.273 -0.175 1
1 1344 . 9 1 1 A 107 107 ASP HA H 107 4.606 5.053 -0.447 1
1 1347 . 9 1 1 A 107 107 ASP C C 107 176.075 176.699 -0.624 1
1 1348 . 9 1 1 A 107 107 ASP CA C 107 54.790 52.313 2.477 1
1 1349 . 9 1 1 A 107 107 ASP CB C 107 40.990 43.981 -2.991 1
1 1350 . 9 1 1 A 108 108 LYS H H 108 8.216 8.713 -0.497 1
1 1351 . 9 1 1 A 108 108 LYS HA H 108 4.326 4.456 -0.130 1
1 1360 . 9 1 1 A 108 108 LYS C C 108 176.490 176.969 -0.479 1
1 1361 . 9 1 1 A 108 108 LYS CA C 108 56.140 57.097 -0.957 1
1 1362 . 9 1 1 A 108 108 LYS CB C 108 32.910 33.622 -0.712 1
1 1366 . 9 1 1 A 108 108 LYS N N 108 121.982 121.594 0.388 1
1 1367 . 9 1 1 A 109 109 LYS H H 109 8.411 7.160 1.251 1
1 1368 . 9 1 1 A 109 109 LYS HA H 109 4.344 4.493 -0.149 1
1 1377 . 9 1 1 A 109 109 LYS C C 109 175.583 175.879 -0.296 1
1 1378 . 9 1 1 A 109 109 LYS CA C 109 56.150 56.378 -0.228 1
1 1379 . 9 1 1 A 109 109 LYS CB C 109 33.050 33.428 -0.378 1
1 1383 . 9 1 1 A 109 109 LYS N N 109 122.966 118.780 4.186 1
1 14 . 10 1 1 A 2 2 LEU H H 2 8.858 7.722 1.136 1
1 15 . 10 1 1 A 2 2 LEU HA H 2 4.010 4.075 -0.065 1
1 25 . 10 1 1 A 2 2 LEU C C 2 179.512 178.349 1.163 1
1 26 . 10 1 1 A 2 2 LEU CA C 2 57.230 55.709 1.521 1
1 27 . 10 1 1 A 2 2 LEU CB C 2 41.500 40.675 0.825 1
1 31 . 10 1 1 A 2 2 LEU N N 2 124.589 116.003 8.586 1
1 32 . 10 1 1 A 3 3 GLU H H 3 9.299 7.913 1.386 1
1 33 . 10 1 1 A 3 3 GLU HA H 3 4.234 4.263 -0.029 1
1 38 . 10 1 1 A 3 3 GLU C C 3 178.189 178.939 -0.750 1
1 39 . 10 1 1 A 3 3 GLU CA C 3 59.930 59.636 0.294 1
1 40 . 10 1 1 A 3 3 GLU CB C 3 28.810 29.141 -0.331 1
1 42 . 10 1 1 A 3 3 GLU N N 3 118.833 118.544 0.289 1
1 43 . 10 1 1 A 4 4 ASP H H 4 8.188 8.280 -0.092 1
1 44 . 10 1 1 A 4 4 ASP HA H 4 4.524 4.495 0.029 1
1 47 . 10 1 1 A 4 4 ASP C C 4 176.722 177.548 -0.826 1
1 48 . 10 1 1 A 4 4 ASP CA C 4 56.240 56.910 -0.670 1
1 49 . 10 1 1 A 4 4 ASP CB C 4 39.910 40.996 -1.086 1
1 50 . 10 1 1 A 4 4 ASP N N 4 118.286 120.001 -1.715 1
1 51 . 10 1 1 A 5 5 TYR H H 5 8.336 7.737 0.599 1
1 52 . 10 1 1 A 5 5 TYR HA H 5 4.284 4.628 -0.344 1
1 59 . 10 1 1 A 5 5 TYR C C 5 172.456 175.732 -3.276 1
1 60 . 10 1 1 A 5 5 TYR CA C 5 58.770 58.899 -0.129 1
1 61 . 10 1 1 A 5 5 TYR CB C 5 37.820 37.876 -0.056 1
1 64 . 10 1 1 A 5 5 TYR N N 5 119.641 116.648 2.993 1
1 65 . 10 1 1 A 6 6 ALA H H 6 6.748 7.368 -0.620 1
1 66 . 10 1 1 A 6 6 ALA HA H 6 3.470 3.255 0.215 1
1 70 . 10 1 1 A 6 6 ALA C C 6 178.122 176.299 1.823 1
1 71 . 10 1 1 A 6 6 ALA CA C 6 51.440 51.392 0.048 1
1 72 . 10 1 1 A 6 6 ALA CB C 6 19.600 18.738 0.862 1
1 73 . 10 1 1 A 6 6 ALA N N 6 122.727 122.986 -0.259 1
1 74 . 10 1 1 A 7 7 ILE H H 7 8.665 8.120 0.545 1
1 75 . 10 1 1 A 7 7 ILE HA H 7 4.303 4.473 -0.170 1
1 85 . 10 1 1 A 7 7 ILE C C 7 174.386 175.594 -1.208 1
1 86 . 10 1 1 A 7 7 ILE CA C 7 58.640 60.093 -1.453 1
1 87 . 10 1 1 A 7 7 ILE CB C 7 39.820 38.399 1.421 1
1 91 . 10 1 1 A 7 7 ILE N N 7 124.318 124.314 0.004 1
1 92 . 10 1 1 A 8 8 SER H H 8 8.884 8.728 0.156 1
1 93 . 10 1 1 A 8 8 SER HA H 8 4.881 4.486 0.395 1
1 96 . 10 1 1 A 8 8 SER C C 8 176.268 175.125 1.143 1
1 97 . 10 1 1 A 8 8 SER CA C 8 57.157 58.020 -0.863 1
1 98 . 10 1 1 A 8 8 SER CB C 8 64.390 64.025 0.365 1
1 99 . 10 1 1 A 8 8 SER N N 8 122.739 122.915 -0.176 1
1 100 . 10 1 1 A 9 9 LEU H H 9 8.077 8.729 -0.652 1
1 101 . 10 1 1 A 9 9 LEU HA H 9 3.652 4.068 -0.416 1
1 111 . 10 1 1 A 9 9 LEU C C 9 175.322 177.841 -2.519 1
1 112 . 10 1 1 A 9 9 LEU CA C 9 57.190 57.714 -0.524 1
1 113 . 10 1 1 A 9 9 LEU CB C 9 42.290 41.822 0.468 1
1 117 . 10 1 1 A 9 9 LEU N N 9 126.321 128.047 -1.726 1
1 118 . 10 1 1 A 10 10 GLU H H 10 8.361 8.673 -0.312 1
1 119 . 10 1 1 A 10 10 GLU HA H 10 3.754 4.475 -0.721 1
1 124 . 10 1 1 A 10 10 GLU C C 10 176.452 177.073 -0.621 1
1 125 . 10 1 1 A 10 10 GLU CA C 10 58.470 57.117 1.353 1
1 126 . 10 1 1 A 10 10 GLU CB C 10 29.480 28.911 0.569 1
1 128 . 10 1 1 A 10 10 GLU N N 10 112.911 115.864 -2.953 1
1 129 . 10 1 1 A 11 11 GLU H H 11 7.284 8.014 -0.730 1
1 130 . 10 1 1 A 11 11 GLU HA H 11 4.531 4.572 -0.041 1
1 135 . 10 1 1 A 11 11 GLU C C 11 176.539 175.662 0.877 1
1 136 . 10 1 1 A 11 11 GLU CA C 11 55.240 55.846 -0.606 1
1 137 . 10 1 1 A 11 11 GLU CB C 11 32.160 30.718 1.442 1
1 139 . 10 1 1 A 11 11 GLU N N 11 114.276 116.602 -2.326 1
1 140 . 10 1 1 A 12 12 VAL H H 12 7.077 7.438 -0.361 1
1 141 . 10 1 1 A 12 12 VAL HA H 12 3.677 4.504 -0.827 1
1 149 . 10 1 1 A 12 12 VAL C C 12 173.900 174.050 -0.150 1
1 150 . 10 1 1 A 12 12 VAL CA C 12 62.510 59.544 2.966 1
1 151 . 10 1 1 A 12 12 VAL CB C 12 31.920 33.900 -1.980 1
1 154 . 10 1 1 A 12 12 VAL N N 12 121.932 120.525 1.407 1
1 155 . 10 1 1 A 13 13 ASN H H 13 7.996 8.835 -0.839 1
1 156 . 10 1 1 A 13 13 ASN HA H 13 4.840 5.285 -0.445 1
1 161 . 10 1 1 A 13 13 ASN C C 13 176.876 175.255 1.621 1
1 162 . 10 1 1 A 13 13 ASN CA C 13 52.168 51.877 0.291 1
1 163 . 10 1 1 A 13 13 ASN CB C 13 38.500 39.837 -1.337 1
1 164 . 10 1 1 A 13 13 ASN N N 13 121.232 125.105 -3.873 1
1 166 . 10 1 1 A 14 14 PHE H H 14 6.268 8.054 -1.786 1
1 167 . 10 1 1 A 14 14 PHE HA H 14 3.868 4.256 -0.388 1
1 175 . 10 1 1 A 14 14 PHE C C 14 176.423 178.052 -1.629 1
1 176 . 10 1 1 A 14 14 PHE CA C 14 62.520 60.614 1.906 1
1 177 . 10 1 1 A 14 14 PHE CB C 14 38.780 38.627 0.153 1
1 181 . 10 1 1 A 14 14 PHE N N 14 120.637 122.172 -1.535 1
1 182 . 10 1 1 A 15 15 ASN H H 15 8.184 8.638 -0.454 1
1 183 . 10 1 1 A 15 15 ASN HA H 15 4.602 4.441 0.161 1
1 188 . 10 1 1 A 15 15 ASN C C 15 175.738 177.911 -2.173 1
1 189 . 10 1 1 A 15 15 ASN CA C 15 55.240 55.715 -0.475 1
1 190 . 10 1 1 A 15 15 ASN CB C 15 38.270 37.254 1.016 1
1 191 . 10 1 1 A 15 15 ASN N N 15 113.599 116.533 -2.934 1
1 193 . 10 1 1 A 16 16 ASP H H 16 7.680 7.506 0.174 1
1 194 . 10 1 1 A 16 16 ASP HA H 16 4.450 4.146 0.304 1
1 197 . 10 1 1 A 16 16 ASP C C 16 174.589 175.406 -0.817 1
1 198 . 10 1 1 A 16 16 ASP CA C 16 54.860 56.138 -1.278 1
1 199 . 10 1 1 A 16 16 ASP CB C 16 41.140 40.605 0.535 1
1 200 . 10 1 1 A 16 16 ASP N N 16 117.808 119.956 -2.148 1
1 201 . 10 1 1 A 17 17 PHE H H 17 7.648 7.357 0.291 1
1 202 . 10 1 1 A 17 17 PHE HA H 17 4.788 5.006 -0.218 1
1 210 . 10 1 1 A 17 17 PHE C C 17 175.516 175.715 -0.199 1
1 211 . 10 1 1 A 17 17 PHE CA C 17 56.790 56.933 -0.143 1
1 212 . 10 1 1 A 17 17 PHE CB C 17 44.090 41.673 2.417 1
1 216 . 10 1 1 A 17 17 PHE N N 17 116.207 115.849 0.358 1
1 217 . 10 1 1 A 18 18 ILE H H 18 8.674 9.093 -0.419 1
1 218 . 10 1 1 A 18 18 ILE HA H 18 4.335 4.455 -0.120 1
1 228 . 10 1 1 A 18 18 ILE C C 18 175.612 175.682 -0.070 1
1 229 . 10 1 1 A 18 18 ILE CA C 18 60.930 61.385 -0.455 1
1 230 . 10 1 1 A 18 18 ILE CB C 18 37.620 37.420 0.200 1
1 234 . 10 1 1 A 18 18 ILE N N 18 121.498 122.574 -1.076 1
1 235 . 10 1 1 A 19 19 VAL H H 19 9.009 8.378 0.631 1
1 236 . 10 1 1 A 19 19 VAL HA H 19 4.760 4.928 -0.168 1
1 244 . 10 1 1 A 19 19 VAL C C 19 175.622 175.134 0.488 1
1 245 . 10 1 1 A 19 19 VAL CA C 19 62.974 61.760 1.214 1
1 246 . 10 1 1 A 19 19 VAL CB C 19 32.770 32.553 0.217 1
1 249 . 10 1 1 A 19 19 VAL N N 19 129.378 128.614 0.764 1
1 250 . 10 1 1 A 20 20 VAL H H 20 9.606 9.046 0.560 1
1 251 . 10 1 1 A 20 20 VAL HA H 20 4.581 4.480 0.101 1
1 259 . 10 1 1 A 20 20 VAL C C 20 172.234 174.747 -2.513 1
1 260 . 10 1 1 A 20 20 VAL CA C 20 60.660 60.623 0.037 1
1 261 . 10 1 1 A 20 20 VAL CB C 20 33.910 35.273 -1.363 1
1 264 . 10 1 1 A 20 20 VAL N N 20 131.965 127.013 4.952 1
1 265 . 10 1 1 A 21 21 ASP H H 21 8.367 8.941 -0.574 1
1 266 . 10 1 1 A 21 21 ASP HA H 21 4.105 4.390 -0.285 1
1 269 . 10 1 1 A 21 21 ASP C C 21 176.182 175.319 0.863 1
1 270 . 10 1 1 A 21 21 ASP CA C 21 50.850 53.275 -2.425 1
1 271 . 10 1 1 A 21 21 ASP CB C 21 43.460 40.904 2.556 1
1 272 . 10 1 1 A 21 21 ASP N N 21 129.516 127.600 1.916 1
1 273 . 10 1 1 A 22 22 VAL H H 22 8.095 8.125 -0.030 1
1 274 . 10 1 1 A 22 22 VAL HA H 22 5.720 4.867 0.853 1
1 282 . 10 1 1 A 22 22 VAL C C 22 178.006 174.649 3.357 1
1 283 . 10 1 1 A 22 22 VAL CA C 22 58.990 61.025 -2.035 1
1 284 . 10 1 1 A 22 22 VAL CB C 22 30.150 31.551 -1.401 1
1 287 . 10 1 1 A 22 22 VAL N N 22 114.833 120.503 -5.670 1
1 288 . 10 1 1 A 23 23 ARG H H 23 7.467 8.207 -0.740 1
1 289 . 10 1 1 A 23 23 ARG HA H 23 4.358 4.528 -0.170 1
1 299 . 10 1 1 A 23 23 ARG C C 23 172.157 176.039 -3.882 1
1 300 . 10 1 1 A 23 23 ARG CA C 23 56.190 56.435 -0.245 1
1 301 . 10 1 1 A 23 23 ARG CB C 23 31.230 32.111 -0.881 1
1 304 . 10 1 1 A 23 23 ARG N N 23 120.418 125.125 -4.707 1
1 307 . 10 1 1 A 24 24 GLU H H 24 7.372 7.771 -0.399 1
1 308 . 10 1 1 A 24 24 GLU HA H 24 4.454 4.582 -0.128 1
1 313 . 10 1 1 A 24 24 GLU C C 24 178.807 176.230 2.577 1
1 314 . 10 1 1 A 24 24 GLU CA C 24 53.870 55.815 -1.945 1
1 315 . 10 1 1 A 24 24 GLU CB C 24 31.610 33.366 -1.756 1
1 317 . 10 1 1 A 24 24 GLU N N 24 111.001 115.795 -4.794 1
1 318 . 10 1 1 A 25 25 LEU H H 25 8.842 8.625 0.217 1
1 319 . 10 1 1 A 25 25 LEU HA H 25 3.922 3.924 -0.002 1
1 329 . 10 1 1 A 25 25 LEU C C 25 177.591 177.666 -0.075 1
1 330 . 10 1 1 A 25 25 LEU CA C 25 58.800 59.127 -0.327 1
1 331 . 10 1 1 A 25 25 LEU CB C 25 42.000 41.659 0.341 1
1 335 . 10 1 1 A 25 25 LEU N N 25 122.468 126.720 -4.252 1
1 336 . 10 1 1 A 26 26 ASP H H 26 8.671 8.149 0.522 1
1 337 . 10 1 1 A 26 26 ASP HA H 26 4.389 4.326 0.063 1
1 340 . 10 1 1 A 26 26 ASP C C 26 178.739 178.266 0.473 1
1 341 . 10 1 1 A 26 26 ASP CA C 26 56.540 57.820 -1.280 1
1 342 . 10 1 1 A 26 26 ASP CB C 26 39.570 42.307 -2.737 1
1 343 . 10 1 1 A 26 26 ASP N N 26 114.189 118.717 -4.528 1
1 344 . 10 1 1 A 27 27 GLU H H 27 7.235 8.118 -0.883 1
1 345 . 10 1 1 A 27 27 GLU HA H 27 4.304 4.025 0.279 1
1 350 . 10 1 1 A 27 27 GLU C C 27 177.678 178.608 -0.930 1
1 351 . 10 1 1 A 27 27 GLU CA C 27 58.830 59.544 -0.714 1
1 352 . 10 1 1 A 27 27 GLU CB C 27 30.650 29.418 1.232 1
1 354 . 10 1 1 A 27 27 GLU N N 27 120.618 118.992 1.626 1
1 355 . 10 1 1 A 28 28 TYR H H 28 7.703 8.043 -0.340 1
1 356 . 10 1 1 A 28 28 TYR HA H 28 4.149 4.053 0.096 1
1 363 . 10 1 1 A 28 28 TYR C C 28 177.108 178.158 -1.050 1
1 364 . 10 1 1 A 28 28 TYR CA C 28 60.600 61.364 -0.764 1
1 365 . 10 1 1 A 28 28 TYR CB C 28 39.300 38.535 0.765 1
1 370 . 10 1 1 A 28 28 TYR N N 28 121.871 121.455 0.416 1
1 371 . 10 1 1 A 29 29 GLU H H 29 8.727 8.203 0.524 1
1 372 . 10 1 1 A 29 29 GLU HA H 29 3.823 3.997 -0.174 1
1 377 . 10 1 1 A 29 29 GLU C C 29 177.456 179.180 -1.724 1
1 378 . 10 1 1 A 29 29 GLU CA C 29 58.770 59.962 -1.192 1
1 379 . 10 1 1 A 29 29 GLU CB C 29 29.880 29.168 0.712 1
1 381 . 10 1 1 A 29 29 GLU N N 29 116.326 118.261 -1.935 1
1 382 . 10 1 1 A 30 30 GLU H H 30 7.225 8.092 -0.867 1
1 383 . 10 1 1 A 30 30 GLU HA H 30 4.219 4.247 -0.028 1
1 388 . 10 1 1 A 30 30 GLU C C 30 177.012 176.554 0.458 1
1 389 . 10 1 1 A 30 30 GLU CA C 30 59.750 58.778 0.972 1
1 390 . 10 1 1 A 30 30 GLU CB C 30 29.310 29.491 -0.181 1
1 392 . 10 1 1 A 30 30 GLU N N 30 119.394 116.392 3.002 1
1 393 . 10 1 1 A 31 31 LEU H H 31 7.512 7.131 0.381 1
1 394 . 10 1 1 A 31 31 LEU HA H 31 5.102 4.652 0.450 1
1 404 . 10 1 1 A 31 31 LEU C C 31 173.363 174.558 -1.195 1
1 405 . 10 1 1 A 31 31 LEU CA C 31 55.760 53.627 2.133 1
1 406 . 10 1 1 A 31 31 LEU CB C 31 42.880 44.428 -1.548 1
1 410 . 10 1 1 A 31 31 LEU N N 31 118.039 116.672 1.367 1
1 411 . 10 1 1 A 32 32 HIS H H 32 8.196 8.183 0.013 1
1 412 . 10 1 1 A 32 32 HIS HA H 32 4.433 5.026 -0.593 1
1 417 . 10 1 1 A 32 32 HIS C C 32 171.973 172.885 -0.912 1
1 418 . 10 1 1 A 32 32 HIS CA C 32 54.660 54.053 0.607 1
1 419 . 10 1 1 A 32 32 HIS CB C 32 31.500 31.681 -0.181 1
1 422 . 10 1 1 A 32 32 HIS N N 32 114.425 115.432 -1.007 1
1 423 . 10 1 1 A 33 33 LEU H H 33 10.099 8.577 1.522 1
1 424 . 10 1 1 A 33 33 LEU HA H 33 4.745 4.072 0.673 1
1 434 . 10 1 1 A 33 33 LEU CA C 33 53.423 53.200 0.223 1
1 435 . 10 1 1 A 33 33 LEU CB C 33 42.750 41.233 1.517 1
1 439 . 10 1 1 A 33 33 LEU N N 33 124.819 120.661 4.158 1
1 440 . 10 1 1 A 34 34 PRO HA H 34 4.328 4.367 -0.039 1
1 447 . 10 1 1 A 34 34 PRO C C 34 177.012 177.249 -0.237 1
1 448 . 10 1 1 A 34 34 PRO CA C 34 64.440 64.417 0.023 1
1 449 . 10 1 1 A 34 34 PRO CB C 34 31.660 31.738 -0.078 1
1 452 . 10 1 1 A 35 35 ASN H H 35 8.736 8.184 0.552 1
1 453 . 10 1 1 A 35 35 ASN HA H 35 4.701 4.958 -0.257 1
1 458 . 10 1 1 A 35 35 ASN C C 35 174.801 174.956 -0.155 1
1 459 . 10 1 1 A 35 35 ASN CA C 35 53.470 52.926 0.544 1
1 460 . 10 1 1 A 35 35 ASN CB C 35 37.650 39.122 -1.472 1
1 461 . 10 1 1 A 35 35 ASN N N 35 113.231 115.573 -2.342 1
1 463 . 10 1 1 A 36 36 ALA H H 36 7.434 7.427 0.007 1
1 464 . 10 1 1 A 36 36 ALA HA H 36 4.523 4.654 -0.131 1
1 468 . 10 1 1 A 36 36 ALA C C 36 177.494 176.935 0.559 1
1 469 . 10 1 1 A 36 36 ALA CA C 36 52.700 50.636 2.064 1
1 470 . 10 1 1 A 36 36 ALA CB C 36 21.760 20.724 1.036 1
1 471 . 10 1 1 A 36 36 ALA N N 36 122.419 123.029 -0.610 1
1 472 . 10 1 1 A 37 37 THR H H 37 8.334 8.604 -0.270 1
1 473 . 10 1 1 A 37 37 THR HA H 37 4.184 4.542 -0.358 1
1 479 . 10 1 1 A 37 37 THR C C 37 172.359 173.928 -1.569 1
1 480 . 10 1 1 A 37 37 THR CA C 37 63.020 63.035 -0.015 1
1 481 . 10 1 1 A 37 37 THR CB C 37 69.800 69.427 0.373 1
1 483 . 10 1 1 A 37 37 THR N N 37 121.183 119.040 2.143 1
1 484 . 10 1 1 A 38 38 LEU H H 38 8.306 8.467 -0.161 1
1 485 . 10 1 1 A 38 38 LEU HA H 38 4.815 4.473 0.342 1
1 495 . 10 1 1 A 38 38 LEU C C 38 176.529 174.963 1.566 1
1 496 . 10 1 1 A 38 38 LEU CA C 38 53.873 54.540 -0.667 1
1 497 . 10 1 1 A 38 38 LEU CB C 38 41.830 42.022 -0.192 1
1 501 . 10 1 1 A 38 38 LEU N N 38 130.981 129.753 1.228 1
1 502 . 10 1 1 A 39 39 ILE H H 39 8.612 8.150 0.462 1
1 503 . 10 1 1 A 39 39 ILE HA H 39 3.779 4.624 -0.845 1
1 513 . 10 1 1 A 39 39 ILE C C 39 172.186 174.588 -2.402 1
1 514 . 10 1 1 A 39 39 ILE CA C 39 62.040 59.647 2.393 1
1 515 . 10 1 1 A 39 39 ILE CB C 39 40.360 42.313 -1.953 1
1 519 . 10 1 1 A 39 39 ILE N N 39 131.100 129.190 1.910 1
1 520 . 10 1 1 A 40 40 SER H H 40 8.123 8.865 -0.742 1
1 521 . 10 1 1 A 40 40 SER HA H 40 3.904 4.448 -0.544 1
1 524 . 10 1 1 A 40 40 SER C C 40 177.629 175.479 2.150 1
1 525 . 10 1 1 A 40 40 SER CA C 40 58.810 59.020 -0.210 1
1 526 . 10 1 1 A 40 40 SER CB C 40 63.090 63.360 -0.270 1
1 527 . 10 1 1 A 40 40 SER N N 40 118.068 122.636 -4.568 1
1 528 . 10 1 1 A 41 41 VAL H H 41 7.739 8.595 -0.856 1
1 529 . 10 1 1 A 41 41 VAL HA H 41 3.913 3.818 0.095 1
1 537 . 10 1 1 A 41 41 VAL C C 41 174.714 177.476 -2.762 1
1 538 . 10 1 1 A 41 41 VAL CA C 41 58.990 64.984 -5.994 1
1 539 . 10 1 1 A 41 41 VAL CB C 41 31.730 31.863 -0.133 1
1 542 . 10 1 1 A 41 41 VAL N N 41 124.290 127.353 -3.063 1
1 543 . 10 1 1 A 42 42 ASN H H 42 8.344 8.208 0.136 1
1 544 . 10 1 1 A 42 42 ASN HA H 42 4.630 4.440 0.190 1
1 549 . 10 1 1 A 42 42 ASN C C 42 175.699 175.668 0.031 1
1 550 . 10 1 1 A 42 42 ASN CA C 42 54.860 56.345 -1.485 1
1 551 . 10 1 1 A 42 42 ASN CB C 42 38.610 38.754 -0.144 1
1 552 . 10 1 1 A 42 42 ASN N N 42 116.715 119.494 -2.779 1
1 554 . 10 1 1 A 43 43 ASP H H 43 8.417 7.562 0.855 1
1 555 . 10 1 1 A 43 43 ASP HA H 43 5.021 4.856 0.165 1
1 558 . 10 1 1 A 43 43 ASP C C 43 175.699 175.930 -0.231 1
1 559 . 10 1 1 A 43 43 ASP CA C 43 52.300 53.024 -0.724 1
1 560 . 10 1 1 A 43 43 ASP CB C 43 39.540 38.764 0.776 1
1 561 . 10 1 1 A 43 43 ASP N N 43 125.038 118.181 6.857 1
1 562 . 10 1 1 A 44 44 GLN H H 44 7.762 8.148 -0.386 1
1 563 . 10 1 1 A 44 44 GLN HA H 44 3.815 4.177 -0.362 1
1 570 . 10 1 1 A 44 44 GLN C C 44 178.430 178.001 0.429 1
1 571 . 10 1 1 A 44 44 GLN CA C 44 59.650 58.293 1.357 1
1 572 . 10 1 1 A 44 44 GLN CB C 44 28.760 28.654 0.106 1
1 574 . 10 1 1 A 44 44 GLN N N 44 119.490 123.296 -3.806 1
1 576 . 10 1 1 A 45 45 GLU H H 45 8.705 8.570 0.135 1
1 577 . 10 1 1 A 45 45 GLU HA H 45 4.059 4.067 -0.008 1
1 582 . 10 1 1 A 45 45 GLU C C 45 178.739 178.780 -0.041 1
1 583 . 10 1 1 A 45 45 GLU CA C 45 59.660 59.452 0.208 1
1 584 . 10 1 1 A 45 45 GLU CB C 45 28.900 29.122 -0.222 1
1 586 . 10 1 1 A 45 45 GLU N N 45 119.373 118.293 1.080 1
1 587 . 10 1 1 A 46 46 LYS H H 46 7.545 7.781 -0.236 1
1 588 . 10 1 1 A 46 46 LYS HA H 46 4.119 4.169 -0.050 1
1 597 . 10 1 1 A 46 46 LYS C C 46 179.579 179.129 0.450 1
1 598 . 10 1 1 A 46 46 LYS CA C 46 58.940 59.054 -0.114 1
1 599 . 10 1 1 A 46 46 LYS CB C 46 32.750 31.881 0.869 1
1 603 . 10 1 1 A 46 46 LYS N N 46 120.645 119.876 0.769 1
1 604 . 10 1 1 A 47 47 LEU H H 47 8.005 7.880 0.125 1
1 605 . 10 1 1 A 47 47 LEU HA H 47 4.059 3.906 0.153 1
1 615 . 10 1 1 A 47 47 LEU C C 47 177.436 178.676 -1.240 1
1 616 . 10 1 1 A 47 47 LEU CA C 47 58.090 57.971 0.119 1
1 617 . 10 1 1 A 47 47 LEU CB C 47 41.150 41.828 -0.678 1
1 621 . 10 1 1 A 47 47 LEU N N 47 122.201 120.257 1.944 1
1 622 . 10 1 1 A 48 48 ALA H H 48 8.239 8.519 -0.280 1
1 623 . 10 1 1 A 48 48 ALA HA H 48 3.733 3.583 0.150 1
1 627 . 10 1 1 A 48 48 ALA C C 48 179.347 178.565 0.782 1
1 628 . 10 1 1 A 48 48 ALA CA C 48 55.420 55.158 0.262 1
1 629 . 10 1 1 A 48 48 ALA CB C 48 18.240 18.234 0.006 1
1 630 . 10 1 1 A 48 48 ALA N N 48 121.483 120.095 1.388 1
1 631 . 10 1 1 A 49 49 ASP H H 49 8.001 7.830 0.171 1
1 632 . 10 1 1 A 49 49 ASP HA H 49 4.308 4.296 0.012 1
1 635 . 10 1 1 A 49 49 ASP C C 49 179.106 178.109 0.997 1
1 636 . 10 1 1 A 49 49 ASP CA C 49 57.350 57.159 0.191 1
1 637 . 10 1 1 A 49 49 ASP CB C 49 41.250 41.784 -0.534 1
1 638 . 10 1 1 A 49 49 ASP N N 49 117.231 118.847 -1.616 1
1 639 . 10 1 1 A 50 50 PHE H H 50 8.265 8.119 0.146 1
1 640 . 10 1 1 A 50 50 PHE HA H 50 4.101 4.185 -0.084 1
1 647 . 10 1 1 A 50 50 PHE C C 50 179.048 177.074 1.974 1
1 648 . 10 1 1 A 50 50 PHE CA C 50 62.590 60.851 1.739 1
1 649 . 10 1 1 A 50 50 PHE CB C 50 39.810 39.355 0.455 1
1 651 . 10 1 1 A 50 50 PHE N N 50 122.379 120.225 2.154 1
1 652 . 10 1 1 A 51 51 LEU H H 51 8.653 8.132 0.521 1
1 653 . 10 1 1 A 51 51 LEU HA H 51 3.789 3.928 -0.139 1
1 663 . 10 1 1 A 51 51 LEU C C 51 180.400 179.007 1.393 1
1 664 . 10 1 1 A 51 51 LEU CA C 51 58.140 56.795 1.345 1
1 665 . 10 1 1 A 51 51 LEU CB C 51 38.770 41.146 -2.376 1
1 669 . 10 1 1 A 51 51 LEU N N 51 120.277 119.309 0.968 1
1 670 . 10 1 1 A 52 52 SER H H 52 8.332 8.125 0.207 1
1 671 . 10 1 1 A 52 52 SER HA H 52 4.160 4.274 -0.114 1
1 674 . 10 1 1 A 52 52 SER C C 52 176.220 177.204 -0.984 1
1 675 . 10 1 1 A 52 52 SER CA C 52 61.840 61.273 0.567 1
1 676 . 10 1 1 A 52 52 SER CB C 52 62.850 63.270 -0.420 1
1 677 . 10 1 1 A 52 52 SER N N 52 115.630 116.128 -0.498 1
1 678 . 10 1 1 A 53 53 GLN H H 53 7.405 7.914 -0.509 1
1 679 . 10 1 1 A 53 53 GLN HA H 53 4.092 3.961 0.131 1
1 686 . 10 1 1 A 53 53 GLN C C 53 176.046 175.609 0.437 1
1 687 . 10 1 1 A 53 53 GLN CA C 53 56.560 58.369 -1.809 1
1 688 . 10 1 1 A 53 53 GLN CB C 53 28.580 28.855 -0.275 1
1 690 . 10 1 1 A 53 53 GLN N N 53 119.056 119.343 -0.287 1
1 692 . 10 1 1 A 54 54 HIS H H 54 7.311 7.518 -0.207 1
1 693 . 10 1 1 A 54 54 HIS HA H 54 4.754 4.905 -0.151 1
1 696 . 10 1 1 A 54 54 HIS C C 54 175.467 175.079 0.388 1
1 697 . 10 1 1 A 54 54 HIS CA C 54 55.562 54.335 1.227 1
1 698 . 10 1 1 A 54 54 HIS CB C 54 29.650 30.213 -0.563 1
1 699 . 10 1 1 A 54 54 HIS N N 54 117.800 116.939 0.861 1
1 700 . 10 1 1 A 55 55 LYS H H 55 7.646 8.644 -0.998 1
1 701 . 10 1 1 A 55 55 LYS HA H 55 4.296 4.709 -0.413 1
1 710 . 10 1 1 A 55 55 LYS C C 55 176.741 176.577 0.164 1
1 711 . 10 1 1 A 55 55 LYS CA C 55 58.710 58.579 0.131 1
1 712 . 10 1 1 A 55 55 LYS CB C 55 32.370 33.314 -0.944 1
1 716 . 10 1 1 A 55 55 LYS N N 55 119.903 125.152 -5.249 1
1 717 . 10 1 1 A 56 56 ASP H H 56 8.853 7.922 0.931 1
1 718 . 10 1 1 A 56 56 ASP HA H 56 4.655 4.964 -0.309 1
1 721 . 10 1 1 A 56 56 ASP C C 56 175.158 174.958 0.200 1
1 722 . 10 1 1 A 56 56 ASP CA C 56 53.930 53.398 0.532 1
1 723 . 10 1 1 A 56 56 ASP CB C 56 40.220 40.743 -0.523 1
1 724 . 10 1 1 A 56 56 ASP N N 56 116.429 120.062 -3.633 1
1 725 . 10 1 1 A 57 57 LYS H H 57 7.655 8.644 -0.989 1
1 726 . 10 1 1 A 57 57 LYS HA H 57 4.701 5.053 -0.352 1
1 735 . 10 1 1 A 57 57 LYS C C 57 175.236 174.400 0.836 1
1 736 . 10 1 1 A 57 57 LYS CA C 57 53.830 54.828 -0.998 1
1 737 . 10 1 1 A 57 57 LYS CB C 57 35.550 34.675 0.875 1
1 741 . 10 1 1 A 57 57 LYS N N 57 119.510 120.207 -0.697 1
1 742 . 10 1 1 A 58 58 LYS H H 58 8.265 8.532 -0.267 1
1 743 . 10 1 1 A 58 58 LYS HA H 58 4.745 5.241 -0.496 1
1 752 . 10 1 1 A 58 58 LYS C C 58 175.651 175.683 -0.032 1
1 753 . 10 1 1 A 58 58 LYS CA C 58 56.870 55.331 1.539 1
1 754 . 10 1 1 A 58 58 LYS CB C 58 33.250 33.599 -0.349 1
1 758 . 10 1 1 A 58 58 LYS N N 58 120.091 119.488 0.603 1
1 759 . 10 1 1 A 59 59 VAL H H 59 9.233 9.064 0.169 1
1 760 . 10 1 1 A 59 59 VAL HA H 59 5.231 5.300 -0.069 1
1 768 . 10 1 1 A 59 59 VAL C C 59 173.556 174.256 -0.700 1
1 769 . 10 1 1 A 59 59 VAL CA C 59 60.930 62.029 -1.099 1
1 770 . 10 1 1 A 59 59 VAL CB C 59 34.300 33.145 1.155 1
1 772 . 10 1 1 A 59 59 VAL N N 59 127.047 125.580 1.467 1
1 773 . 10 1 1 A 60 60 LEU H H 60 9.228 9.055 0.173 1
1 774 . 10 1 1 A 60 60 LEU HA H 60 4.815 5.163 -0.348 1
1 784 . 10 1 1 A 60 60 LEU C C 60 173.421 174.891 -1.470 1
1 785 . 10 1 1 A 60 60 LEU CA C 60 52.586 53.407 -0.821 1
1 786 . 10 1 1 A 60 60 LEU CB C 60 45.660 44.871 0.789 1
1 790 . 10 1 1 A 60 60 LEU N N 60 129.197 130.335 -1.138 1
1 791 . 10 1 1 A 61 61 LEU H H 61 9.055 9.227 -0.172 1
1 792 . 10 1 1 A 61 61 LEU HA H 61 5.713 4.970 0.743 1
1 802 . 10 1 1 A 61 61 LEU C C 61 176.683 176.539 0.144 1
1 803 . 10 1 1 A 61 61 LEU CA C 61 52.760 53.910 -1.150 1
1 804 . 10 1 1 A 61 61 LEU CB C 61 43.220 41.633 1.587 1
1 808 . 10 1 1 A 61 61 LEU N N 61 125.903 129.349 -3.446 1
1 809 . 10 1 1 A 62 62 HIS H H 62 9.148 8.863 0.285 1
1 810 . 10 1 1 A 62 62 HIS HA H 62 5.440 5.256 0.184 1
1 816 . 10 1 1 A 62 62 HIS C C 62 172.301 173.819 -1.518 1
1 817 . 10 1 1 A 62 62 HIS CA C 62 54.580 54.460 0.120 1
1 818 . 10 1 1 A 62 62 HIS CB C 62 33.980 31.410 2.570 1
1 821 . 10 1 1 A 62 62 HIS N N 62 119.183 122.021 -2.838 1
1 823 . 10 1 1 A 63 63 CYS H H 63 9.389 8.108 1.281 1
1 824 . 10 1 1 A 63 63 CYS HA H 63 5.021 4.706 0.315 1
1 827 . 10 1 1 A 63 63 CYS C C 63 177.649 175.276 2.373 1
1 828 . 10 1 1 A 63 63 CYS CA C 63 56.460 57.336 -0.876 1
1 829 . 10 1 1 A 63 63 CYS CB C 63 29.400 30.723 -1.323 1
1 830 . 10 1 1 A 63 63 CYS N N 63 120.896 119.638 1.258 1
1 831 . 10 1 1 A 64 64 ARG H H 64 8.658 8.777 -0.119 1
1 832 . 10 1 1 A 64 64 ARG HA H 64 4.425 3.832 0.593 1
1 839 . 10 1 1 A 64 64 ARG C C 64 174.724 177.576 -2.852 1
1 840 . 10 1 1 A 64 64 ARG CA C 64 59.000 59.337 -0.337 1
1 841 . 10 1 1 A 64 64 ARG CB C 64 30.820 29.845 0.975 1
1 844 . 10 1 1 A 64 64 ARG N N 64 130.651 126.509 4.142 1
1 845 . 10 1 1 A 65 65 ALA H H 65 8.166 7.984 0.182 1
1 846 . 10 1 1 A 65 65 ALA HA H 65 5.399 4.521 0.878 1
1 850 . 10 1 1 A 65 65 ALA C C 65 177.909 177.173 0.736 1
1 851 . 10 1 1 A 65 65 ALA CA C 65 52.020 53.016 -0.996 1
1 852 . 10 1 1 A 65 65 ALA CB C 65 20.270 21.561 -1.291 1
1 853 . 10 1 1 A 65 65 ALA N N 65 118.548 119.403 -0.855 1
1 854 . 10 1 1 A 66 66 GLY H H 66 9.300 7.836 1.464 1
1 855 . 10 1 1 A 66 66 GLY HA2 H 66 4.872 4.057 0.815 1
1 856 . 10 1 1 A 66 66 GLY HA3 H 66 4.450 4.064 0.386 1
1 857 . 10 1 1 A 66 66 GLY C C 66 176.761 174.900 1.861 1
1 858 . 10 1 1 A 66 66 GLY CA C 66 46.630 45.504 1.126 1
1 859 . 10 1 1 A 66 66 GLY N N 66 114.644 106.512 8.132 1
1 860 . 10 1 1 A 67 67 ARG H H 67 8.118 8.066 0.052 1
1 861 . 10 1 1 A 67 67 ARG HA H 67 4.141 4.005 0.136 1
1 871 . 10 1 1 A 67 67 ARG C C 67 178.691 178.597 0.094 1
1 872 . 10 1 1 A 67 67 ARG CA C 67 60.930 58.879 2.051 1
1 873 . 10 1 1 A 67 67 ARG CB C 67 31.240 30.077 1.163 1
1 876 . 10 1 1 A 67 67 ARG N N 67 121.922 122.056 -0.134 1
1 879 . 10 1 1 A 68 68 ARG H H 68 9.366 7.621 1.745 1
1 880 . 10 1 1 A 68 68 ARG HA H 68 4.282 4.067 0.215 1
1 887 . 10 1 1 A 68 68 ARG C C 68 178.681 179.109 -0.428 1
1 888 . 10 1 1 A 68 68 ARG CA C 68 59.410 58.723 0.687 1
1 889 . 10 1 1 A 68 68 ARG CB C 68 30.760 29.472 1.288 1
1 892 . 10 1 1 A 68 68 ARG N N 68 123.821 118.910 4.911 1
1 893 . 10 1 1 A 69 69 ALA H H 69 10.112 8.243 1.869 1
1 894 . 10 1 1 A 69 69 ALA HA H 69 3.800 4.119 -0.319 1
1 898 . 10 1 1 A 69 69 ALA C C 69 178.334 179.795 -1.461 1
1 899 . 10 1 1 A 69 69 ALA CA C 69 55.960 55.237 0.723 1
1 900 . 10 1 1 A 69 69 ALA CB C 69 17.730 18.701 -0.971 1
1 901 . 10 1 1 A 69 69 ALA N N 69 125.465 122.411 3.054 1
1 902 . 10 1 1 A 70 70 LEU H H 70 7.746 7.769 -0.023 1
1 903 . 10 1 1 A 70 70 LEU HA H 70 3.340 3.212 0.128 1
1 913 . 10 1 1 A 70 70 LEU C C 70 177.996 177.978 0.018 1
1 914 . 10 1 1 A 70 70 LEU CA C 70 57.950 57.701 0.249 1
1 915 . 10 1 1 A 70 70 LEU CB C 70 40.720 41.761 -1.041 1
1 919 . 10 1 1 A 70 70 LEU N N 70 118.427 119.495 -1.068 1
1 920 . 10 1 1 A 71 71 ASP H H 71 7.662 8.581 -0.919 1
1 921 . 10 1 1 A 71 71 ASP HA H 71 4.236 4.250 -0.014 1
1 924 . 10 1 1 A 71 71 ASP C C 71 179.560 178.623 0.937 1
1 925 . 10 1 1 A 71 71 ASP CA C 71 57.880 57.361 0.519 1
1 926 . 10 1 1 A 71 71 ASP CB C 71 40.340 40.400 -0.060 1
1 927 . 10 1 1 A 71 71 ASP N N 71 120.180 118.001 2.179 1
1 928 . 10 1 1 A 72 72 ALA H H 72 8.796 7.885 0.911 1
1 929 . 10 1 1 A 72 72 ALA HA H 72 4.101 4.039 0.062 1
1 933 . 10 1 1 A 72 72 ALA C C 72 179.203 179.604 -0.401 1
1 934 . 10 1 1 A 72 72 ALA CA C 72 54.670 55.090 -0.420 1
1 935 . 10 1 1 A 72 72 ALA CB C 72 18.490 18.213 0.277 1
1 936 . 10 1 1 A 72 72 ALA N N 72 122.299 122.470 -0.171 1
1 937 . 10 1 1 A 73 73 ALA H H 73 8.672 7.829 0.843 1
1 938 . 10 1 1 A 73 73 ALA HA H 73 3.758 4.088 -0.330 1
1 942 . 10 1 1 A 73 73 ALA C C 73 179.251 179.863 -0.612 1
1 943 . 10 1 1 A 73 73 ALA CA C 73 55.950 55.189 0.761 1
1 944 . 10 1 1 A 73 73 ALA CB C 73 17.660 18.320 -0.660 1
1 945 . 10 1 1 A 73 73 ALA N N 73 121.294 119.771 1.523 1
1 946 . 10 1 1 A 74 74 LYS H H 74 8.914 7.917 0.997 1
1 947 . 10 1 1 A 74 74 LYS HA H 74 3.790 3.830 -0.040 1
1 956 . 10 1 1 A 74 74 LYS C C 74 179.589 179.558 0.031 1
1 957 . 10 1 1 A 74 74 LYS CA C 74 60.620 59.310 1.310 1
1 958 . 10 1 1 A 74 74 LYS CB C 74 32.330 32.236 0.094 1
1 962 . 10 1 1 A 74 74 LYS N N 74 119.404 117.764 1.640 1
1 963 . 10 1 1 A 75 75 SER H H 75 7.874 7.906 -0.032 1
1 964 . 10 1 1 A 75 75 SER HA H 75 4.272 4.108 0.164 1
1 967 . 10 1 1 A 75 75 SER C C 75 176.944 176.719 0.225 1
1 968 . 10 1 1 A 75 75 SER CA C 75 61.840 62.073 -0.233 1
1 969 . 10 1 1 A 75 75 SER CB C 75 62.990 62.791 0.199 1
1 970 . 10 1 1 A 75 75 SER N N 75 114.306 116.526 -2.220 1
1 971 . 10 1 1 A 76 76 MET H H 76 8.401 7.854 0.547 1
1 972 . 10 1 1 A 76 76 MET HA H 76 4.881 4.411 0.470 1
1 980 . 10 1 1 A 76 76 MET C C 76 179.811 178.779 1.032 1
1 981 . 10 1 1 A 76 76 MET CA C 76 56.060 58.318 -2.258 1
1 982 . 10 1 1 A 76 76 MET CB C 76 34.780 33.004 1.776 1
1 985 . 10 1 1 A 76 76 MET N N 76 119.510 120.184 -0.674 1
1 986 . 10 1 1 A 77 77 HIS H H 77 9.450 8.200 1.250 1
1 987 . 10 1 1 A 77 77 HIS HA H 77 5.148 4.722 0.426 1
1 992 . 10 1 1 A 77 77 HIS C C 77 181.596 177.886 3.710 1
1 993 . 10 1 1 A 77 77 HIS CA C 77 59.550 59.267 0.283 1
1 994 . 10 1 1 A 77 77 HIS CB C 77 30.720 29.739 0.981 1
1 997 . 10 1 1 A 77 77 HIS N N 77 123.245 117.784 5.461 1
1 998 . 10 1 1 A 78 78 GLU H H 78 7.832 8.263 -0.431 1
1 999 . 10 1 1 A 78 78 GLU HA H 78 4.159 4.018 0.141 1
1 1004 . 10 1 1 A 78 78 GLU C C 78 177.909 178.504 -0.595 1
1 1005 . 10 1 1 A 78 78 GLU CA C 78 59.110 59.008 0.102 1
1 1006 . 10 1 1 A 78 78 GLU CB C 78 29.380 29.402 -0.022 1
1 1008 . 10 1 1 A 78 78 GLU N N 78 121.124 120.216 0.908 1
1 1009 . 10 1 1 A 79 79 LEU H H 79 7.161 7.330 -0.169 1
1 1010 . 10 1 1 A 79 79 LEU HA H 79 4.360 4.170 0.190 1
1 1020 . 10 1 1 A 79 79 LEU C C 79 176.934 176.657 0.277 1
1 1021 . 10 1 1 A 79 79 LEU CA C 79 54.820 55.418 -0.598 1
1 1022 . 10 1 1 A 79 79 LEU CB C 79 43.300 42.597 0.703 1
1 1026 . 10 1 1 A 79 79 LEU N N 79 116.655 118.121 -1.466 1
1 1027 . 10 1 1 A 80 80 GLY H H 80 7.545 7.399 0.146 1
1 1028 . 10 1 1 A 80 80 GLY HA2 H 80 4.101 3.833 0.268 1
1 1029 . 10 1 1 A 80 80 GLY HA3 H 80 3.580 3.920 -0.340 1
1 1030 . 10 1 1 A 80 80 GLY C C 80 174.116 174.443 -0.327 1
1 1031 . 10 1 1 A 80 80 GLY CA C 80 45.010 44.842 0.168 1
1 1032 . 10 1 1 A 80 80 GLY N N 80 105.216 105.358 -0.142 1
1 1033 . 10 1 1 A 81 81 TYR H H 81 7.519 7.602 -0.083 1
1 1034 . 10 1 1 A 81 81 TYR HA H 81 4.727 4.491 0.236 1
1 1041 . 10 1 1 A 81 81 TYR C C 81 174.377 175.108 -0.731 1
1 1042 . 10 1 1 A 81 81 TYR CA C 81 56.960 58.100 -1.140 1
1 1043 . 10 1 1 A 81 81 TYR CB C 81 40.310 39.269 1.041 1
1 1046 . 10 1 1 A 81 81 TYR N N 81 119.660 120.121 -0.461 1
1 1047 . 10 1 1 A 82 82 THR H H 82 8.786 8.745 0.041 1
1 1048 . 10 1 1 A 82 82 THR HA H 82 3.390 3.674 -0.284 1
1 1053 . 10 1 1 A 82 82 THR CA C 82 57.030 58.248 -1.218 1
1 1054 . 10 1 1 A 82 82 THR CB C 82 68.740 68.759 -0.019 1
1 1056 . 10 1 1 A 82 82 THR N N 82 105.368 113.643 -8.275 1
1 1057 . 10 1 1 A 83 83 PRO HA H 83 5.003 4.740 0.263 1
1 1064 . 10 1 1 A 83 83 PRO C C 83 175.699 176.489 -0.790 1
1 1065 . 10 1 1 A 83 83 PRO CA C 83 63.140 62.411 0.729 1
1 1066 . 10 1 1 A 83 83 PRO CB C 83 31.570 32.268 -0.698 1
1 1069 . 10 1 1 A 84 84 TYR H H 84 9.497 8.603 0.894 1
1 1070 . 10 1 1 A 84 84 TYR HA H 84 5.482 5.173 0.309 1
1 1077 . 10 1 1 A 84 84 TYR C C 84 175.506 175.335 0.171 1
1 1078 . 10 1 1 A 84 84 TYR CA C 84 57.570 57.827 -0.257 1
1 1079 . 10 1 1 A 84 84 TYR CB C 84 40.500 39.535 0.965 1
1 1082 . 10 1 1 A 84 84 TYR N N 84 119.880 120.423 -0.543 1
1 1083 . 10 1 1 A 85 85 TYR H H 85 8.570 8.334 0.236 1
1 1084 . 10 1 1 A 85 85 TYR HA H 85 5.730 5.403 0.327 1
1 1089 . 10 1 1 A 85 85 TYR C C 85 172.215 172.238 -0.023 1
1 1090 . 10 1 1 A 85 85 TYR CA C 85 55.240 56.224 -0.984 1
1 1091 . 10 1 1 A 85 85 TYR CB C 85 40.830 41.103 -0.273 1
1 1093 . 10 1 1 A 85 85 TYR N N 85 116.764 118.007 -1.243 1
1 1094 . 10 1 1 A 86 86 LEU H H 86 8.196 9.202 -1.006 1
1 1095 . 10 1 1 A 86 86 LEU HA H 86 4.881 5.155 -0.274 1
1 1105 . 10 1 1 A 86 86 LEU C C 86 177.552 174.738 2.814 1
1 1106 . 10 1 1 A 86 86 LEU CA C 86 53.376 53.833 -0.457 1
1 1107 . 10 1 1 A 86 86 LEU CB C 86 44.360 44.301 0.059 1
1 1111 . 10 1 1 A 86 86 LEU N N 86 121.589 123.618 -2.029 1
1 1112 . 10 1 1 A 87 87 GLU H H 87 9.146 8.604 0.542 1
1 1113 . 10 1 1 A 87 87 GLU HA H 87 4.797 4.856 -0.059 1
1 1118 . 10 1 1 A 87 87 GLU C C 87 174.965 176.483 -1.518 1
1 1119 . 10 1 1 A 87 87 GLU CA C 87 55.405 55.807 -0.402 1
1 1120 . 10 1 1 A 87 87 GLU CB C 87 30.010 29.952 0.058 1
1 1122 . 10 1 1 A 87 87 GLU N N 87 128.779 126.782 1.997 1
1 1123 . 10 1 1 A 88 88 GLY H H 88 7.349 8.018 -0.669 1
1 1124 . 10 1 1 A 88 88 GLY HA2 H 88 4.110 4.226 -0.116 1
1 1125 . 10 1 1 A 88 88 GLY HA3 H 88 4.023 4.285 -0.262 1
1 1126 . 10 1 1 A 88 88 GLY C C 88 170.593 171.841 -1.248 1
1 1127 . 10 1 1 A 88 88 GLY CA C 88 44.970 45.877 -0.907 1
1 1128 . 10 1 1 A 88 88 GLY N N 88 112.564 110.856 1.708 1
1 1129 . 10 1 1 A 89 89 ASN H H 89 8.756 8.607 0.149 1
1 1130 . 10 1 1 A 89 89 ASN HA H 89 5.722 5.383 0.339 1
1 1135 . 10 1 1 A 89 89 ASN C C 89 176.336 176.120 0.216 1
1 1136 . 10 1 1 A 89 89 ASN CA C 89 52.210 53.471 -1.261 1
1 1137 . 10 1 1 A 89 89 ASN CB C 89 40.950 38.879 2.071 1
1 1138 . 10 1 1 A 89 89 ASN N N 89 121.363 119.186 2.177 1
1 1140 . 10 1 1 A 90 90 VAL H H 90 8.928 8.215 0.713 1
1 1141 . 10 1 1 A 90 90 VAL HA H 90 4.425 2.188 2.237 1
1 1149 . 10 1 1 A 90 90 VAL C C 90 175.660 176.623 -0.963 1
1 1150 . 10 1 1 A 90 90 VAL CA C 90 58.930 63.824 -4.894 1
1 1151 . 10 1 1 A 90 90 VAL CB C 90 30.860 31.349 -0.489 1
1 1154 . 10 1 1 A 90 90 VAL N N 90 128.990 126.204 2.786 1
1 1155 . 10 1 1 A 91 91 TYR H H 91 8.330 7.320 1.010 1
1 1156 . 10 1 1 A 91 91 TYR HA H 91 4.016 4.244 -0.228 1
1 1163 . 10 1 1 A 91 91 TYR C C 91 175.718 176.810 -1.092 1
1 1164 . 10 1 1 A 91 91 TYR CA C 91 61.700 61.977 -0.277 1
1 1165 . 10 1 1 A 91 91 TYR CB C 91 36.580 37.810 -1.230 1
1 1168 . 10 1 1 A 91 91 TYR N N 91 119.510 119.051 0.459 1
1 1169 . 10 1 1 A 92 92 ASP H H 92 8.654 8.001 0.653 1
1 1170 . 10 1 1 A 92 92 ASP HA H 92 5.146 4.753 0.393 1
1 1173 . 10 1 1 A 92 92 ASP C C 92 177.224 178.102 -0.878 1
1 1174 . 10 1 1 A 92 92 ASP CA C 92 54.290 55.153 -0.863 1
1 1175 . 10 1 1 A 92 92 ASP CB C 92 42.670 41.195 1.475 1
1 1176 . 10 1 1 A 92 92 ASP N N 92 117.541 121.127 -3.586 1
1 1177 . 10 1 1 A 93 93 PHE H H 93 7.673 7.675 -0.002 1
1 1178 . 10 1 1 A 93 93 PHE HA H 93 4.688 4.500 0.188 1
1 1186 . 10 1 1 A 93 93 PHE C C 93 179.270 178.671 0.599 1
1 1187 . 10 1 1 A 93 93 PHE CA C 93 60.340 61.573 -1.233 1
1 1188 . 10 1 1 A 93 93 PHE CB C 93 36.010 38.421 -2.411 1
1 1192 . 10 1 1 A 93 93 PHE N N 93 123.205 117.896 5.309 1
1 1193 . 10 1 1 A 94 94 GLU H H 94 9.164 8.616 0.548 1
1 1194 . 10 1 1 A 94 94 GLU HA H 94 4.676 4.301 0.375 1
1 1199 . 10 1 1 A 94 94 GLU C C 94 180.805 178.852 1.953 1
1 1200 . 10 1 1 A 94 94 GLU CA C 94 59.240 59.963 -0.723 1
1 1201 . 10 1 1 A 94 94 GLU CB C 94 29.640 29.461 0.179 1
1 1203 . 10 1 1 A 94 94 GLU N N 94 118.657 118.271 0.386 1
1 1204 . 10 1 1 A 95 95 LYS H H 95 8.005 8.376 -0.371 1
1 1205 . 10 1 1 A 95 95 LYS HA H 95 4.103 4.229 -0.126 1
1 1214 . 10 1 1 A 95 95 LYS C C 95 177.948 177.777 0.171 1
1 1215 . 10 1 1 A 95 95 LYS CA C 95 58.680 58.910 -0.230 1
1 1216 . 10 1 1 A 95 95 LYS CB C 95 31.690 32.025 -0.335 1
1 1220 . 10 1 1 A 95 95 LYS N N 95 121.494 119.037 2.457 1
1 1221 . 10 1 1 A 96 96 TYR H H 96 7.710 7.705 0.005 1
1 1222 . 10 1 1 A 96 96 TYR HA H 96 4.332 4.619 -0.287 1
1 1229 . 10 1 1 A 96 96 TYR C C 96 174.550 175.698 -1.148 1
1 1230 . 10 1 1 A 96 96 TYR CA C 96 59.370 58.064 1.306 1
1 1231 . 10 1 1 A 96 96 TYR CB C 96 38.340 38.848 -0.508 1
1 1234 . 10 1 1 A 96 96 TYR N N 96 117.421 118.517 -1.096 1
1 1235 . 10 1 1 A 97 97 GLY H H 97 7.796 7.783 0.013 1
1 1236 . 10 1 1 A 97 97 GLY HA2 H 97 3.966 3.854 0.112 1
1 1237 . 10 1 1 A 97 97 GLY HA3 H 97 3.580 3.986 -0.406 1
1 1238 . 10 1 1 A 97 97 GLY C C 97 173.662 174.223 -0.561 1
1 1239 . 10 1 1 A 97 97 GLY CA C 97 45.160 45.169 -0.009 1
1 1240 . 10 1 1 A 97 97 GLY N N 97 105.806 107.261 -1.455 1
1 1241 . 10 1 1 A 98 98 PHE H H 98 7.323 7.943 -0.620 1
1 1242 . 10 1 1 A 98 98 PHE HA H 98 4.644 4.576 0.068 1
1 1250 . 10 1 1 A 98 98 PHE C C 98 173.353 175.055 -1.702 1
1 1251 . 10 1 1 A 98 98 PHE CA C 98 57.490 58.240 -0.750 1
1 1252 . 10 1 1 A 98 98 PHE CB C 98 38.550 40.155 -1.605 1
1 1256 . 10 1 1 A 98 98 PHE N N 98 120.718 119.083 1.635 1
1 1257 . 10 1 1 A 99 99 ARG H H 99 7.903 8.796 -0.893 1
1 1258 . 10 1 1 A 99 99 ARG HA H 99 4.283 4.512 -0.229 1
1 1265 . 10 1 1 A 99 99 ARG C C 99 175.680 175.220 0.460 1
1 1266 . 10 1 1 A 99 99 ARG CA C 99 56.320 56.914 -0.594 1
1 1267 . 10 1 1 A 99 99 ARG CB C 99 30.610 31.029 -0.419 1
1 1270 . 10 1 1 A 99 99 ARG N N 99 122.817 125.327 -2.510 1
1 1271 . 10 1 1 A 100 100 MET H H 100 8.133 8.829 -0.696 1
1 1272 . 10 1 1 A 100 100 MET HA H 100 4.843 5.116 -0.273 1
1 1280 . 10 1 1 A 100 100 MET C C 100 175.255 174.304 0.951 1
1 1281 . 10 1 1 A 100 100 MET CA C 100 52.343 53.937 -1.594 1
1 1282 . 10 1 1 A 100 100 MET CB C 100 34.410 37.855 -3.445 1
1 1285 . 10 1 1 A 100 100 MET N N 100 121.483 124.744 -3.261 1
1 1286 . 10 1 1 A 101 101 VAL H H 101 8.471 8.190 0.281 1
1 1287 . 10 1 1 A 101 101 VAL HA H 101 3.890 4.816 -0.926 1
1 1295 . 10 1 1 A 101 101 VAL C C 101 175.351 174.286 1.065 1
1 1296 . 10 1 1 A 101 101 VAL CA C 101 61.500 60.777 0.723 1
1 1297 . 10 1 1 A 101 101 VAL CB C 101 31.730 34.560 -2.830 1
1 1300 . 10 1 1 A 101 101 VAL N N 101 119.940 119.715 0.225 1
1 1301 . 10 1 1 A 102 102 TYR H H 102 8.612 8.899 -0.287 1
1 1302 . 10 1 1 A 102 102 TYR HA H 102 4.938 5.201 -0.263 1
1 1309 . 10 1 1 A 102 102 TYR C C 102 175.892 174.944 0.948 1
1 1310 . 10 1 1 A 102 102 TYR CA C 102 57.140 56.426 0.714 1
1 1311 . 10 1 1 A 102 102 TYR CB C 102 40.990 42.217 -1.227 1
1 1314 . 10 1 1 A 102 102 TYR N N 102 126.390 124.223 2.167 1
1 1315 . 10 1 1 A 103 103 ASP H H 103 8.071 8.885 -0.814 1
1 1316 . 10 1 1 A 103 103 ASP HA H 103 4.621 4.247 0.374 1
1 1319 . 10 1 1 A 103 103 ASP C C 103 176.220 175.748 0.472 1
1 1320 . 10 1 1 A 103 103 ASP CA C 103 55.050 55.080 -0.030 1
1 1321 . 10 1 1 A 103 103 ASP CB C 103 40.220 39.032 1.188 1
1 1322 . 10 1 1 A 103 103 ASP N N 103 120.738 120.185 0.553 1
1 1323 . 10 1 1 A 104 104 ASP H H 104 8.642 7.860 0.782 1
1 1324 . 10 1 1 A 104 104 ASP HA H 104 4.730 4.603 0.127 1
1 1327 . 10 1 1 A 104 104 ASP C C 104 176.095 177.978 -1.883 1
1 1328 . 10 1 1 A 104 104 ASP CA C 104 53.510 55.238 -1.728 1
1 1329 . 10 1 1 A 104 104 ASP CB C 104 41.060 41.129 -0.069 1
1 1330 . 10 1 1 A 104 104 ASP N N 104 121.582 116.498 5.084 1
1 1331 . 10 1 1 A 105 105 THR H H 105 8.119 7.843 0.276 1
1 1332 . 10 1 1 A 105 105 THR HA H 105 4.389 4.182 0.207 1
1 1337 . 10 1 1 A 105 105 THR C C 105 173.508 174.356 -0.848 1
1 1338 . 10 1 1 A 105 105 THR CA C 105 61.580 64.535 -2.955 1
1 1339 . 10 1 1 A 105 105 THR CB C 105 69.840 69.408 0.432 1
1 1341 . 10 1 1 A 105 105 THR N N 105 113.632 113.716 -0.084 1
1 1342 . 10 1 1 A 106 106 CYS H H 106 8.013 7.706 0.307 1
1 1343 . 10 1 1 A 106 106 CYS N N 106 129.098 118.349 10.749 1
1 1344 . 10 1 1 A 107 107 ASP HA H 107 4.606 4.669 -0.063 1
1 1347 . 10 1 1 A 107 107 ASP C C 107 176.075 176.269 -0.194 1
1 1348 . 10 1 1 A 107 107 ASP CA C 107 54.790 53.801 0.989 1
1 1349 . 10 1 1 A 107 107 ASP CB C 107 40.990 39.094 1.896 1
1 1350 . 10 1 1 A 108 108 LYS H H 108 8.216 8.853 -0.637 1
1 1351 . 10 1 1 A 108 108 LYS HA H 108 4.326 4.288 0.038 1
1 1360 . 10 1 1 A 108 108 LYS C C 108 176.490 176.260 0.230 1
1 1361 . 10 1 1 A 108 108 LYS CA C 108 56.140 57.660 -1.520 1
1 1362 . 10 1 1 A 108 108 LYS CB C 108 32.910 33.891 -0.981 1
1 1366 . 10 1 1 A 108 108 LYS N N 108 121.982 126.505 -4.523 1
1 1367 . 10 1 1 A 109 109 LYS H H 109 8.411 7.672 0.739 1
1 1368 . 10 1 1 A 109 109 LYS HA H 109 4.344 4.753 -0.409 1
1 1377 . 10 1 1 A 109 109 LYS C C 109 175.583 174.306 1.277 1
1 1378 . 10 1 1 A 109 109 LYS CA C 109 56.150 55.159 0.991 1
1 1379 . 10 1 1 A 109 109 LYS CB C 109 33.050 35.764 -2.714 1
1 1383 . 10 1 1 A 109 109 LYS N N 109 122.966 114.226 8.740 1
1 14 . 11 1 1 A 2 2 LEU H H 2 8.858 7.788 1.070 1
1 15 . 11 1 1 A 2 2 LEU HA H 2 4.010 3.500 0.510 1
1 25 . 11 1 1 A 2 2 LEU C C 2 179.512 178.222 1.290 1
1 26 . 11 1 1 A 2 2 LEU CA C 2 57.230 57.204 0.026 1
1 27 . 11 1 1 A 2 2 LEU CB C 2 41.500 40.832 0.668 1
1 31 . 11 1 1 A 2 2 LEU N N 2 124.589 119.376 5.213 1
1 32 . 11 1 1 A 3 3 GLU H H 3 9.299 9.016 0.283 1
1 33 . 11 1 1 A 3 3 GLU HA H 3 4.234 4.811 -0.577 1
1 38 . 11 1 1 A 3 3 GLU C C 3 178.189 177.338 0.851 1
1 39 . 11 1 1 A 3 3 GLU CA C 3 59.930 58.359 1.571 1
1 40 . 11 1 1 A 3 3 GLU CB C 3 28.810 27.800 1.010 1
1 42 . 11 1 1 A 3 3 GLU N N 3 118.833 121.879 -3.046 1
1 43 . 11 1 1 A 4 4 ASP H H 4 8.188 8.219 -0.031 1
1 44 . 11 1 1 A 4 4 ASP HA H 4 4.524 4.556 -0.032 1
1 47 . 11 1 1 A 4 4 ASP C C 4 176.722 177.645 -0.923 1
1 48 . 11 1 1 A 4 4 ASP CA C 4 56.240 56.353 -0.113 1
1 49 . 11 1 1 A 4 4 ASP CB C 4 39.910 40.704 -0.794 1
1 50 . 11 1 1 A 4 4 ASP N N 4 118.286 119.818 -1.532 1
1 51 . 11 1 1 A 5 5 TYR H H 5 8.336 8.070 0.266 1
1 52 . 11 1 1 A 5 5 TYR HA H 5 4.284 4.609 -0.325 1
1 59 . 11 1 1 A 5 5 TYR C C 5 172.456 175.701 -3.245 1
1 60 . 11 1 1 A 5 5 TYR CA C 5 58.770 58.743 0.027 1
1 61 . 11 1 1 A 5 5 TYR CB C 5 37.820 37.956 -0.136 1
1 64 . 11 1 1 A 5 5 TYR N N 5 119.641 116.059 3.582 1
1 65 . 11 1 1 A 6 6 ALA H H 6 6.748 7.401 -0.653 1
1 66 . 11 1 1 A 6 6 ALA HA H 6 3.470 3.255 0.215 1
1 70 . 11 1 1 A 6 6 ALA C C 6 178.122 176.696 1.426 1
1 71 . 11 1 1 A 6 6 ALA CA C 6 51.440 51.649 -0.209 1
1 72 . 11 1 1 A 6 6 ALA CB C 6 19.600 18.641 0.959 1
1 73 . 11 1 1 A 6 6 ALA N N 6 122.727 123.453 -0.726 1
1 74 . 11 1 1 A 7 7 ILE H H 7 8.665 8.235 0.430 1
1 75 . 11 1 1 A 7 7 ILE HA H 7 4.303 4.446 -0.143 1
1 85 . 11 1 1 A 7 7 ILE C C 7 174.386 175.452 -1.066 1
1 86 . 11 1 1 A 7 7 ILE CA C 7 58.640 60.371 -1.731 1
1 87 . 11 1 1 A 7 7 ILE CB C 7 39.820 37.972 1.848 1
1 91 . 11 1 1 A 7 7 ILE N N 7 124.318 124.058 0.260 1
1 92 . 11 1 1 A 8 8 SER H H 8 8.884 8.753 0.131 1
1 93 . 11 1 1 A 8 8 SER HA H 8 4.881 4.652 0.229 1
1 96 . 11 1 1 A 8 8 SER C C 8 176.268 175.421 0.847 1
1 97 . 11 1 1 A 8 8 SER CA C 8 57.157 57.508 -0.351 1
1 98 . 11 1 1 A 8 8 SER CB C 8 64.390 64.985 -0.595 1
1 99 . 11 1 1 A 8 8 SER N N 8 122.739 123.081 -0.342 1
1 100 . 11 1 1 A 9 9 LEU H H 9 8.077 8.690 -0.613 1
1 101 . 11 1 1 A 9 9 LEU HA H 9 3.652 3.952 -0.300 1
1 111 . 11 1 1 A 9 9 LEU C C 9 175.322 178.436 -3.114 1
1 112 . 11 1 1 A 9 9 LEU CA C 9 57.190 57.830 -0.640 1
1 113 . 11 1 1 A 9 9 LEU CB C 9 42.290 41.674 0.616 1
1 117 . 11 1 1 A 9 9 LEU N N 9 126.321 128.132 -1.811 1
1 118 . 11 1 1 A 10 10 GLU H H 10 8.361 9.446 -1.085 1
1 119 . 11 1 1 A 10 10 GLU HA H 10 3.754 4.475 -0.721 1
1 124 . 11 1 1 A 10 10 GLU C C 10 176.452 177.248 -0.796 1
1 125 . 11 1 1 A 10 10 GLU CA C 10 58.470 58.153 0.317 1
1 126 . 11 1 1 A 10 10 GLU CB C 10 29.480 27.900 1.580 1
1 128 . 11 1 1 A 10 10 GLU N N 10 112.911 116.977 -4.066 1
1 129 . 11 1 1 A 11 11 GLU H H 11 7.284 8.064 -0.780 1
1 130 . 11 1 1 A 11 11 GLU HA H 11 4.531 4.499 0.032 1
1 135 . 11 1 1 A 11 11 GLU C C 11 176.539 176.040 0.499 1
1 136 . 11 1 1 A 11 11 GLU CA C 11 55.240 56.077 -0.837 1
1 137 . 11 1 1 A 11 11 GLU CB C 11 32.160 30.908 1.252 1
1 139 . 11 1 1 A 11 11 GLU N N 11 114.276 115.437 -1.161 1
1 140 . 11 1 1 A 12 12 VAL H H 12 7.077 7.365 -0.288 1
1 141 . 11 1 1 A 12 12 VAL HA H 12 3.677 4.085 -0.408 1
1 149 . 11 1 1 A 12 12 VAL C C 12 173.900 174.523 -0.623 1
1 150 . 11 1 1 A 12 12 VAL CA C 12 62.510 61.486 1.024 1
1 151 . 11 1 1 A 12 12 VAL CB C 12 31.920 32.612 -0.692 1
1 154 . 11 1 1 A 12 12 VAL N N 12 121.932 121.293 0.639 1
1 155 . 11 1 1 A 13 13 ASN H H 13 7.996 8.775 -0.779 1
1 156 . 11 1 1 A 13 13 ASN HA H 13 4.840 5.356 -0.516 1
1 161 . 11 1 1 A 13 13 ASN C C 13 176.876 175.239 1.637 1
1 162 . 11 1 1 A 13 13 ASN CA C 13 52.168 51.832 0.336 1
1 163 . 11 1 1 A 13 13 ASN CB C 13 38.500 39.715 -1.215 1
1 164 . 11 1 1 A 13 13 ASN N N 13 121.232 125.416 -4.184 1
1 166 . 11 1 1 A 14 14 PHE H H 14 6.268 8.010 -1.742 1
1 167 . 11 1 1 A 14 14 PHE HA H 14 3.868 4.266 -0.398 1
1 175 . 11 1 1 A 14 14 PHE C C 14 176.423 177.668 -1.245 1
1 176 . 11 1 1 A 14 14 PHE CA C 14 62.520 60.764 1.756 1
1 177 . 11 1 1 A 14 14 PHE CB C 14 38.780 38.743 0.037 1
1 181 . 11 1 1 A 14 14 PHE N N 14 120.637 121.815 -1.178 1
1 182 . 11 1 1 A 15 15 ASN H H 15 8.184 8.598 -0.414 1
1 183 . 11 1 1 A 15 15 ASN HA H 15 4.602 4.450 0.152 1
1 188 . 11 1 1 A 15 15 ASN C C 15 175.738 178.323 -2.585 1
1 189 . 11 1 1 A 15 15 ASN CA C 15 55.240 55.933 -0.693 1
1 190 . 11 1 1 A 15 15 ASN CB C 15 38.270 37.479 0.791 1
1 191 . 11 1 1 A 15 15 ASN N N 15 113.599 116.662 -3.063 1
1 193 . 11 1 1 A 16 16 ASP H H 16 7.680 7.398 0.282 1
1 194 . 11 1 1 A 16 16 ASP HA H 16 4.450 4.195 0.255 1
1 197 . 11 1 1 A 16 16 ASP C C 16 174.589 175.391 -0.802 1
1 198 . 11 1 1 A 16 16 ASP CA C 16 54.860 55.589 -0.729 1
1 199 . 11 1 1 A 16 16 ASP CB C 16 41.140 40.343 0.797 1
1 200 . 11 1 1 A 16 16 ASP N N 16 117.808 118.586 -0.778 1
1 201 . 11 1 1 A 17 17 PHE H H 17 7.648 7.196 0.452 1
1 202 . 11 1 1 A 17 17 PHE HA H 17 4.788 5.168 -0.380 1
1 210 . 11 1 1 A 17 17 PHE C C 17 175.516 175.278 0.238 1
1 211 . 11 1 1 A 17 17 PHE CA C 17 56.790 56.650 0.140 1
1 212 . 11 1 1 A 17 17 PHE CB C 17 44.090 42.412 1.678 1
1 216 . 11 1 1 A 17 17 PHE N N 17 116.207 116.131 0.076 1
1 217 . 11 1 1 A 18 18 ILE H H 18 8.674 9.074 -0.400 1
1 218 . 11 1 1 A 18 18 ILE HA H 18 4.335 4.483 -0.148 1
1 228 . 11 1 1 A 18 18 ILE C C 18 175.612 175.783 -0.171 1
1 229 . 11 1 1 A 18 18 ILE CA C 18 60.930 61.454 -0.524 1
1 230 . 11 1 1 A 18 18 ILE CB C 18 37.620 37.450 0.170 1
1 234 . 11 1 1 A 18 18 ILE N N 18 121.498 123.519 -2.021 1
1 235 . 11 1 1 A 19 19 VAL H H 19 9.009 8.328 0.681 1
1 236 . 11 1 1 A 19 19 VAL HA H 19 4.760 4.880 -0.120 1
1 244 . 11 1 1 A 19 19 VAL C C 19 175.622 175.321 0.301 1
1 245 . 11 1 1 A 19 19 VAL CA C 19 62.974 61.834 1.140 1
1 246 . 11 1 1 A 19 19 VAL CB C 19 32.770 32.434 0.336 1
1 249 . 11 1 1 A 19 19 VAL N N 19 129.378 128.684 0.694 1
1 250 . 11 1 1 A 20 20 VAL H H 20 9.606 9.002 0.604 1
1 251 . 11 1 1 A 20 20 VAL HA H 20 4.581 4.536 0.045 1
1 259 . 11 1 1 A 20 20 VAL C C 20 172.234 174.785 -2.551 1
1 260 . 11 1 1 A 20 20 VAL CA C 20 60.660 60.561 0.099 1
1 261 . 11 1 1 A 20 20 VAL CB C 20 33.910 35.075 -1.165 1
1 264 . 11 1 1 A 20 20 VAL N N 20 131.965 126.931 5.034 1
1 265 . 11 1 1 A 21 21 ASP H H 21 8.367 8.739 -0.372 1
1 266 . 11 1 1 A 21 21 ASP HA H 21 4.105 4.382 -0.277 1
1 269 . 11 1 1 A 21 21 ASP C C 21 176.182 175.495 0.687 1
1 270 . 11 1 1 A 21 21 ASP CA C 21 50.850 53.324 -2.474 1
1 271 . 11 1 1 A 21 21 ASP CB C 21 43.460 40.861 2.599 1
1 272 . 11 1 1 A 21 21 ASP N N 21 129.516 127.442 2.074 1
1 273 . 11 1 1 A 22 22 VAL H H 22 8.095 7.947 0.148 1
1 274 . 11 1 1 A 22 22 VAL HA H 22 5.720 4.780 0.940 1
1 282 . 11 1 1 A 22 22 VAL C C 22 178.006 175.003 3.003 1
1 283 . 11 1 1 A 22 22 VAL CA C 22 58.990 61.165 -2.175 1
1 284 . 11 1 1 A 22 22 VAL CB C 22 30.150 31.200 -1.050 1
1 287 . 11 1 1 A 22 22 VAL N N 22 114.833 120.708 -5.875 1
1 288 . 11 1 1 A 23 23 ARG H H 23 7.467 7.859 -0.392 1
1 289 . 11 1 1 A 23 23 ARG HA H 23 4.358 4.611 -0.253 1
1 299 . 11 1 1 A 23 23 ARG C C 23 172.157 175.202 -3.045 1
1 300 . 11 1 1 A 23 23 ARG CA C 23 56.190 55.786 0.404 1
1 301 . 11 1 1 A 23 23 ARG CB C 23 31.230 31.815 -0.585 1
1 304 . 11 1 1 A 23 23 ARG N N 23 120.418 125.190 -4.772 1
1 307 . 11 1 1 A 24 24 GLU H H 24 7.372 8.288 -0.916 1
1 308 . 11 1 1 A 24 24 GLU HA H 24 4.454 4.809 -0.355 1
1 313 . 11 1 1 A 24 24 GLU C C 24 178.807 176.468 2.339 1
1 314 . 11 1 1 A 24 24 GLU CA C 24 53.870 54.669 -0.799 1
1 315 . 11 1 1 A 24 24 GLU CB C 24 31.610 33.655 -2.045 1
1 317 . 11 1 1 A 24 24 GLU N N 24 111.001 117.538 -6.537 1
1 318 . 11 1 1 A 25 25 LEU H H 25 8.842 8.611 0.231 1
1 319 . 11 1 1 A 25 25 LEU HA H 25 3.922 3.995 -0.073 1
1 329 . 11 1 1 A 25 25 LEU C C 25 177.591 177.603 -0.012 1
1 330 . 11 1 1 A 25 25 LEU CA C 25 58.800 58.382 0.418 1
1 331 . 11 1 1 A 25 25 LEU CB C 25 42.000 41.338 0.662 1
1 335 . 11 1 1 A 25 25 LEU N N 25 122.468 126.102 -3.634 1
1 336 . 11 1 1 A 26 26 ASP H H 26 8.671 8.302 0.369 1
1 337 . 11 1 1 A 26 26 ASP HA H 26 4.389 4.281 0.108 1
1 340 . 11 1 1 A 26 26 ASP C C 26 178.739 178.467 0.272 1
1 341 . 11 1 1 A 26 26 ASP CA C 26 56.540 58.010 -1.470 1
1 342 . 11 1 1 A 26 26 ASP CB C 26 39.570 41.407 -1.837 1
1 343 . 11 1 1 A 26 26 ASP N N 26 114.189 118.970 -4.781 1
1 344 . 11 1 1 A 27 27 GLU H H 27 7.235 8.082 -0.847 1
1 345 . 11 1 1 A 27 27 GLU HA H 27 4.304 4.061 0.243 1
1 350 . 11 1 1 A 27 27 GLU C C 27 177.678 178.928 -1.250 1
1 351 . 11 1 1 A 27 27 GLU CA C 27 58.830 59.460 -0.630 1
1 352 . 11 1 1 A 27 27 GLU CB C 27 30.650 29.630 1.020 1
1 354 . 11 1 1 A 27 27 GLU N N 27 120.618 118.747 1.871 1
1 355 . 11 1 1 A 28 28 TYR H H 28 7.703 8.128 -0.425 1
1 356 . 11 1 1 A 28 28 TYR HA H 28 4.149 4.090 0.059 1
1 363 . 11 1 1 A 28 28 TYR C C 28 177.108 178.200 -1.092 1
1 364 . 11 1 1 A 28 28 TYR CA C 28 60.600 61.261 -0.661 1
1 365 . 11 1 1 A 28 28 TYR CB C 28 39.300 38.486 0.814 1
1 370 . 11 1 1 A 28 28 TYR N N 28 121.871 121.948 -0.077 1
1 371 . 11 1 1 A 29 29 GLU H H 29 8.727 8.131 0.596 1
1 372 . 11 1 1 A 29 29 GLU HA H 29 3.823 4.184 -0.361 1
1 377 . 11 1 1 A 29 29 GLU C C 29 177.456 179.368 -1.912 1
1 378 . 11 1 1 A 29 29 GLU CA C 29 58.770 59.406 -0.636 1
1 379 . 11 1 1 A 29 29 GLU CB C 29 29.880 29.242 0.638 1
1 381 . 11 1 1 A 29 29 GLU N N 29 116.326 118.695 -2.369 1
1 382 . 11 1 1 A 30 30 GLU H H 30 7.225 8.228 -1.003 1
1 383 . 11 1 1 A 30 30 GLU HA H 30 4.219 4.208 0.011 1
1 388 . 11 1 1 A 30 30 GLU C C 30 177.012 176.474 0.538 1
1 389 . 11 1 1 A 30 30 GLU CA C 30 59.750 58.936 0.814 1
1 390 . 11 1 1 A 30 30 GLU CB C 30 29.310 29.202 0.108 1
1 392 . 11 1 1 A 30 30 GLU N N 30 119.394 116.753 2.641 1
1 393 . 11 1 1 A 31 31 LEU H H 31 7.512 7.178 0.334 1
1 394 . 11 1 1 A 31 31 LEU HA H 31 5.102 4.654 0.448 1
1 404 . 11 1 1 A 31 31 LEU C C 31 173.363 174.574 -1.211 1
1 405 . 11 1 1 A 31 31 LEU CA C 31 55.760 53.838 1.922 1
1 406 . 11 1 1 A 31 31 LEU CB C 31 42.880 44.229 -1.349 1
1 410 . 11 1 1 A 31 31 LEU N N 31 118.039 116.833 1.206 1
1 411 . 11 1 1 A 32 32 HIS H H 32 8.196 8.134 0.062 1
1 412 . 11 1 1 A 32 32 HIS HA H 32 4.433 4.946 -0.513 1
1 417 . 11 1 1 A 32 32 HIS C C 32 171.973 172.097 -0.124 1
1 418 . 11 1 1 A 32 32 HIS CA C 32 54.660 54.220 0.440 1
1 419 . 11 1 1 A 32 32 HIS CB C 32 31.500 30.872 0.628 1
1 422 . 11 1 1 A 32 32 HIS N N 32 114.425 115.126 -0.701 1
1 423 . 11 1 1 A 33 33 LEU H H 33 10.099 8.671 1.428 1
1 424 . 11 1 1 A 33 33 LEU HA H 33 4.745 4.214 0.531 1
1 434 . 11 1 1 A 33 33 LEU CA C 33 53.423 52.973 0.450 1
1 435 . 11 1 1 A 33 33 LEU CB C 33 42.750 41.369 1.381 1
1 439 . 11 1 1 A 33 33 LEU N N 33 124.819 121.027 3.792 1
1 440 . 11 1 1 A 34 34 PRO HA H 34 4.328 4.454 -0.126 1
1 447 . 11 1 1 A 34 34 PRO C C 34 177.012 177.598 -0.586 1
1 448 . 11 1 1 A 34 34 PRO CA C 34 64.440 64.503 -0.063 1
1 449 . 11 1 1 A 34 34 PRO CB C 34 31.660 31.828 -0.168 1
1 452 . 11 1 1 A 35 35 ASN H H 35 8.736 8.405 0.331 1
1 453 . 11 1 1 A 35 35 ASN HA H 35 4.701 4.923 -0.222 1
1 458 . 11 1 1 A 35 35 ASN C C 35 174.801 175.639 -0.838 1
1 459 . 11 1 1 A 35 35 ASN CA C 35 53.470 53.159 0.311 1
1 460 . 11 1 1 A 35 35 ASN CB C 35 37.650 39.170 -1.520 1
1 461 . 11 1 1 A 35 35 ASN N N 35 113.231 115.585 -2.354 1
1 463 . 11 1 1 A 36 36 ALA H H 36 7.434 7.375 0.059 1
1 464 . 11 1 1 A 36 36 ALA HA H 36 4.523 4.563 -0.040 1
1 468 . 11 1 1 A 36 36 ALA C C 36 177.494 177.157 0.337 1
1 469 . 11 1 1 A 36 36 ALA CA C 36 52.700 51.151 1.549 1
1 470 . 11 1 1 A 36 36 ALA CB C 36 21.760 20.369 1.391 1
1 471 . 11 1 1 A 36 36 ALA N N 36 122.419 123.193 -0.774 1
1 472 . 11 1 1 A 37 37 THR H H 37 8.334 8.717 -0.383 1
1 473 . 11 1 1 A 37 37 THR HA H 37 4.184 4.477 -0.293 1
1 479 . 11 1 1 A 37 37 THR C C 37 172.359 174.076 -1.717 1
1 480 . 11 1 1 A 37 37 THR CA C 37 63.020 62.871 0.149 1
1 481 . 11 1 1 A 37 37 THR CB C 37 69.800 69.031 0.769 1
1 483 . 11 1 1 A 37 37 THR N N 37 121.183 119.469 1.714 1
1 484 . 11 1 1 A 38 38 LEU H H 38 8.306 8.409 -0.103 1
1 485 . 11 1 1 A 38 38 LEU HA H 38 4.815 4.243 0.572 1
1 495 . 11 1 1 A 38 38 LEU C C 38 176.529 174.994 1.535 1
1 496 . 11 1 1 A 38 38 LEU CA C 38 53.873 55.477 -1.604 1
1 497 . 11 1 1 A 38 38 LEU CB C 38 41.830 41.492 0.338 1
1 501 . 11 1 1 A 38 38 LEU N N 38 130.981 129.952 1.029 1
1 502 . 11 1 1 A 39 39 ILE H H 39 8.612 8.089 0.523 1
1 503 . 11 1 1 A 39 39 ILE HA H 39 3.779 4.545 -0.766 1
1 513 . 11 1 1 A 39 39 ILE C C 39 172.186 174.891 -2.705 1
1 514 . 11 1 1 A 39 39 ILE CA C 39 62.040 59.905 2.135 1
1 515 . 11 1 1 A 39 39 ILE CB C 39 40.360 42.074 -1.714 1
1 519 . 11 1 1 A 39 39 ILE N N 39 131.100 129.223 1.877 1
1 520 . 11 1 1 A 40 40 SER H H 40 8.123 8.869 -0.746 1
1 521 . 11 1 1 A 40 40 SER HA H 40 3.904 4.611 -0.707 1
1 524 . 11 1 1 A 40 40 SER C C 40 177.629 175.090 2.539 1
1 525 . 11 1 1 A 40 40 SER CA C 40 58.810 59.571 -0.761 1
1 526 . 11 1 1 A 40 40 SER CB C 40 63.090 63.364 -0.274 1
1 527 . 11 1 1 A 40 40 SER N N 40 118.068 122.980 -4.912 1
1 528 . 11 1 1 A 41 41 VAL H H 41 7.739 8.576 -0.837 1
1 529 . 11 1 1 A 41 41 VAL HA H 41 3.913 3.889 0.024 1
1 537 . 11 1 1 A 41 41 VAL C C 41 174.714 177.655 -2.941 1
1 538 . 11 1 1 A 41 41 VAL CA C 41 58.990 64.833 -5.843 1
1 539 . 11 1 1 A 41 41 VAL CB C 41 31.730 31.769 -0.039 1
1 542 . 11 1 1 A 41 41 VAL N N 41 124.290 127.194 -2.904 1
1 543 . 11 1 1 A 42 42 ASN H H 42 8.344 8.173 0.171 1
1 544 . 11 1 1 A 42 42 ASN HA H 42 4.630 4.470 0.160 1
1 549 . 11 1 1 A 42 42 ASN C C 42 175.699 175.853 -0.154 1
1 550 . 11 1 1 A 42 42 ASN CA C 42 54.860 56.627 -1.767 1
1 551 . 11 1 1 A 42 42 ASN CB C 42 38.610 38.213 0.397 1
1 552 . 11 1 1 A 42 42 ASN N N 42 116.715 119.107 -2.392 1
1 554 . 11 1 1 A 43 43 ASP H H 43 8.417 7.656 0.761 1
1 555 . 11 1 1 A 43 43 ASP HA H 43 5.021 4.890 0.131 1
1 558 . 11 1 1 A 43 43 ASP C C 43 175.699 176.142 -0.443 1
1 559 . 11 1 1 A 43 43 ASP CA C 43 52.300 52.695 -0.395 1
1 560 . 11 1 1 A 43 43 ASP CB C 43 39.540 39.115 0.425 1
1 561 . 11 1 1 A 43 43 ASP N N 43 125.038 119.217 5.821 1
1 562 . 11 1 1 A 44 44 GLN H H 44 7.762 8.542 -0.780 1
1 563 . 11 1 1 A 44 44 GLN HA H 44 3.815 4.031 -0.216 1
1 570 . 11 1 1 A 44 44 GLN C C 44 178.430 177.874 0.556 1
1 571 . 11 1 1 A 44 44 GLN CA C 44 59.650 58.929 0.721 1
1 572 . 11 1 1 A 44 44 GLN CB C 44 28.760 28.515 0.245 1
1 574 . 11 1 1 A 44 44 GLN N N 44 119.490 123.570 -4.080 1
1 576 . 11 1 1 A 45 45 GLU H H 45 8.705 8.376 0.329 1
1 577 . 11 1 1 A 45 45 GLU HA H 45 4.059 4.086 -0.027 1
1 582 . 11 1 1 A 45 45 GLU C C 45 178.739 178.848 -0.109 1
1 583 . 11 1 1 A 45 45 GLU CA C 45 59.660 59.451 0.209 1
1 584 . 11 1 1 A 45 45 GLU CB C 45 28.900 29.415 -0.515 1
1 586 . 11 1 1 A 45 45 GLU N N 45 119.373 118.437 0.936 1
1 587 . 11 1 1 A 46 46 LYS H H 46 7.545 7.822 -0.277 1
1 588 . 11 1 1 A 46 46 LYS HA H 46 4.119 4.236 -0.117 1
1 597 . 11 1 1 A 46 46 LYS C C 46 179.579 178.711 0.868 1
1 598 . 11 1 1 A 46 46 LYS CA C 46 58.940 59.287 -0.347 1
1 599 . 11 1 1 A 46 46 LYS CB C 46 32.750 32.145 0.605 1
1 603 . 11 1 1 A 46 46 LYS N N 46 120.645 119.784 0.861 1
1 604 . 11 1 1 A 47 47 LEU H H 47 8.005 7.770 0.235 1
1 605 . 11 1 1 A 47 47 LEU HA H 47 4.059 4.058 0.001 1
1 615 . 11 1 1 A 47 47 LEU C C 47 177.436 178.239 -0.803 1
1 616 . 11 1 1 A 47 47 LEU CA C 47 58.090 57.812 0.278 1
1 617 . 11 1 1 A 47 47 LEU CB C 47 41.150 41.368 -0.218 1
1 621 . 11 1 1 A 47 47 LEU N N 47 122.201 121.314 0.887 1
1 622 . 11 1 1 A 48 48 ALA H H 48 8.239 8.603 -0.364 1
1 623 . 11 1 1 A 48 48 ALA HA H 48 3.733 3.748 -0.015 1
1 627 . 11 1 1 A 48 48 ALA C C 48 179.347 179.145 0.202 1
1 628 . 11 1 1 A 48 48 ALA CA C 48 55.420 55.201 0.219 1
1 629 . 11 1 1 A 48 48 ALA CB C 48 18.240 18.093 0.147 1
1 630 . 11 1 1 A 48 48 ALA N N 48 121.483 120.730 0.753 1
1 631 . 11 1 1 A 49 49 ASP H H 49 8.001 7.867 0.134 1
1 632 . 11 1 1 A 49 49 ASP HA H 49 4.308 4.320 -0.012 1
1 635 . 11 1 1 A 49 49 ASP C C 49 179.106 178.222 0.884 1
1 636 . 11 1 1 A 49 49 ASP CA C 49 57.350 57.240 0.110 1
1 637 . 11 1 1 A 49 49 ASP CB C 49 41.250 41.564 -0.314 1
1 638 . 11 1 1 A 49 49 ASP N N 49 117.231 118.942 -1.711 1
1 639 . 11 1 1 A 50 50 PHE H H 50 8.265 8.091 0.174 1
1 640 . 11 1 1 A 50 50 PHE HA H 50 4.101 4.046 0.055 1
1 647 . 11 1 1 A 50 50 PHE C C 50 179.048 176.759 2.289 1
1 648 . 11 1 1 A 50 50 PHE CA C 50 62.590 61.262 1.328 1
1 649 . 11 1 1 A 50 50 PHE CB C 50 39.810 39.421 0.389 1
1 651 . 11 1 1 A 50 50 PHE N N 50 122.379 120.239 2.140 1
1 652 . 11 1 1 A 51 51 LEU H H 51 8.653 7.867 0.786 1
1 653 . 11 1 1 A 51 51 LEU HA H 51 3.789 3.824 -0.035 1
1 663 . 11 1 1 A 51 51 LEU C C 51 180.400 179.321 1.079 1
1 664 . 11 1 1 A 51 51 LEU CA C 51 58.140 57.469 0.671 1
1 665 . 11 1 1 A 51 51 LEU CB C 51 38.770 40.654 -1.884 1
1 669 . 11 1 1 A 51 51 LEU N N 51 120.277 119.607 0.670 1
1 670 . 11 1 1 A 52 52 SER H H 52 8.332 8.016 0.316 1
1 671 . 11 1 1 A 52 52 SER HA H 52 4.160 4.344 -0.184 1
1 674 . 11 1 1 A 52 52 SER C C 52 176.220 176.851 -0.631 1
1 675 . 11 1 1 A 52 52 SER CA C 52 61.840 61.042 0.798 1
1 676 . 11 1 1 A 52 52 SER CB C 52 62.850 63.306 -0.456 1
1 677 . 11 1 1 A 52 52 SER N N 52 115.630 114.104 1.526 1
1 678 . 11 1 1 A 53 53 GLN H H 53 7.405 7.790 -0.385 1
1 679 . 11 1 1 A 53 53 GLN HA H 53 4.092 4.060 0.032 1
1 686 . 11 1 1 A 53 53 GLN C C 53 176.046 176.637 -0.591 1
1 687 . 11 1 1 A 53 53 GLN CA C 53 56.560 58.593 -2.033 1
1 688 . 11 1 1 A 53 53 GLN CB C 53 28.580 28.886 -0.306 1
1 690 . 11 1 1 A 53 53 GLN N N 53 119.056 120.395 -1.339 1
1 692 . 11 1 1 A 54 54 HIS H H 54 7.311 7.325 -0.014 1
1 693 . 11 1 1 A 54 54 HIS HA H 54 4.754 4.646 0.108 1
1 696 . 11 1 1 A 54 54 HIS C C 54 175.467 175.663 -0.196 1
1 697 . 11 1 1 A 54 54 HIS CA C 54 55.562 56.756 -1.194 1
1 698 . 11 1 1 A 54 54 HIS CB C 54 29.650 31.815 -2.165 1
1 699 . 11 1 1 A 54 54 HIS N N 54 117.800 114.510 3.290 1
1 700 . 11 1 1 A 55 55 LYS H H 55 7.646 7.824 -0.178 1
1 701 . 11 1 1 A 55 55 LYS HA H 55 4.296 3.921 0.375 1
1 710 . 11 1 1 A 55 55 LYS C C 55 176.741 175.161 1.580 1
1 711 . 11 1 1 A 55 55 LYS CA C 55 58.710 58.714 -0.004 1
1 712 . 11 1 1 A 55 55 LYS CB C 55 32.370 30.400 1.970 1
1 716 . 11 1 1 A 55 55 LYS N N 55 119.903 116.062 3.841 1
1 717 . 11 1 1 A 56 56 ASP H H 56 8.853 8.136 0.717 1
1 718 . 11 1 1 A 56 56 ASP HA H 56 4.655 4.768 -0.113 1
1 721 . 11 1 1 A 56 56 ASP C C 56 175.158 174.623 0.535 1
1 722 . 11 1 1 A 56 56 ASP CA C 56 53.930 53.076 0.854 1
1 723 . 11 1 1 A 56 56 ASP CB C 56 40.220 39.408 0.812 1
1 724 . 11 1 1 A 56 56 ASP N N 56 116.429 120.568 -4.139 1
1 725 . 11 1 1 A 57 57 LYS H H 57 7.655 8.106 -0.451 1
1 726 . 11 1 1 A 57 57 LYS HA H 57 4.701 5.080 -0.379 1
1 735 . 11 1 1 A 57 57 LYS C C 57 175.236 174.409 0.827 1
1 736 . 11 1 1 A 57 57 LYS CA C 57 53.830 54.844 -1.014 1
1 737 . 11 1 1 A 57 57 LYS CB C 57 35.550 36.029 -0.479 1
1 741 . 11 1 1 A 57 57 LYS N N 57 119.510 120.596 -1.086 1
1 742 . 11 1 1 A 58 58 LYS H H 58 8.265 8.512 -0.247 1
1 743 . 11 1 1 A 58 58 LYS HA H 58 4.745 4.825 -0.080 1
1 752 . 11 1 1 A 58 58 LYS C C 58 175.651 175.103 0.548 1
1 753 . 11 1 1 A 58 58 LYS CA C 58 56.870 55.806 1.064 1
1 754 . 11 1 1 A 58 58 LYS CB C 58 33.250 33.176 0.074 1
1 758 . 11 1 1 A 58 58 LYS N N 58 120.091 123.380 -3.289 1
1 759 . 11 1 1 A 59 59 VAL H H 59 9.233 9.026 0.207 1
1 760 . 11 1 1 A 59 59 VAL HA H 59 5.231 5.378 -0.147 1
1 768 . 11 1 1 A 59 59 VAL C C 59 173.556 174.172 -0.616 1
1 769 . 11 1 1 A 59 59 VAL CA C 59 60.930 61.653 -0.723 1
1 770 . 11 1 1 A 59 59 VAL CB C 59 34.300 33.492 0.808 1
1 772 . 11 1 1 A 59 59 VAL N N 59 127.047 127.430 -0.383 1
1 773 . 11 1 1 A 60 60 LEU H H 60 9.228 8.865 0.363 1
1 774 . 11 1 1 A 60 60 LEU HA H 60 4.815 5.252 -0.437 1
1 784 . 11 1 1 A 60 60 LEU C C 60 173.421 174.747 -1.326 1
1 785 . 11 1 1 A 60 60 LEU CA C 60 52.586 53.373 -0.787 1
1 786 . 11 1 1 A 60 60 LEU CB C 60 45.660 45.191 0.469 1
1 790 . 11 1 1 A 60 60 LEU N N 60 129.197 130.314 -1.117 1
1 791 . 11 1 1 A 61 61 LEU H H 61 9.055 9.211 -0.156 1
1 792 . 11 1 1 A 61 61 LEU HA H 61 5.713 4.964 0.749 1
1 802 . 11 1 1 A 61 61 LEU C C 61 176.683 176.332 0.351 1
1 803 . 11 1 1 A 61 61 LEU CA C 61 52.760 53.773 -1.013 1
1 804 . 11 1 1 A 61 61 LEU CB C 61 43.220 42.112 1.108 1
1 808 . 11 1 1 A 61 61 LEU N N 61 125.903 128.984 -3.081 1
1 809 . 11 1 1 A 62 62 HIS H H 62 9.148 8.754 0.394 1
1 810 . 11 1 1 A 62 62 HIS HA H 62 5.440 5.299 0.141 1
1 816 . 11 1 1 A 62 62 HIS C C 62 172.301 173.658 -1.357 1
1 817 . 11 1 1 A 62 62 HIS CA C 62 54.580 54.311 0.269 1
1 818 . 11 1 1 A 62 62 HIS CB C 62 33.980 31.383 2.597 1
1 821 . 11 1 1 A 62 62 HIS N N 62 119.183 122.157 -2.974 1
1 823 . 11 1 1 A 63 63 CYS H H 63 9.389 8.142 1.247 1
1 824 . 11 1 1 A 63 63 CYS HA H 63 5.021 4.724 0.297 1
1 827 . 11 1 1 A 63 63 CYS C C 63 177.649 175.461 2.188 1
1 828 . 11 1 1 A 63 63 CYS CA C 63 56.460 57.211 -0.751 1
1 829 . 11 1 1 A 63 63 CYS CB C 63 29.400 30.329 -0.929 1
1 830 . 11 1 1 A 63 63 CYS N N 63 120.896 120.341 0.555 1
1 831 . 11 1 1 A 64 64 ARG H H 64 8.658 8.899 -0.241 1
1 832 . 11 1 1 A 64 64 ARG HA H 64 4.425 3.861 0.564 1
1 839 . 11 1 1 A 64 64 ARG C C 64 174.724 177.533 -2.809 1
1 840 . 11 1 1 A 64 64 ARG CA C 64 59.000 59.632 -0.632 1
1 841 . 11 1 1 A 64 64 ARG CB C 64 30.820 29.926 0.894 1
1 844 . 11 1 1 A 64 64 ARG N N 64 130.651 126.358 4.293 1
1 845 . 11 1 1 A 65 65 ALA H H 65 8.166 7.300 0.866 1
1 846 . 11 1 1 A 65 65 ALA HA H 65 5.399 4.353 1.046 1
1 850 . 11 1 1 A 65 65 ALA C C 65 177.909 177.357 0.552 1
1 851 . 11 1 1 A 65 65 ALA CA C 65 52.020 53.407 -1.387 1
1 852 . 11 1 1 A 65 65 ALA CB C 65 20.270 20.380 -0.110 1
1 853 . 11 1 1 A 65 65 ALA N N 65 118.548 119.605 -1.057 1
1 854 . 11 1 1 A 66 66 GLY H H 66 9.300 7.533 1.767 1
1 855 . 11 1 1 A 66 66 GLY HA2 H 66 4.872 4.042 0.830 1
1 856 . 11 1 1 A 66 66 GLY HA3 H 66 4.450 4.060 0.390 1
1 857 . 11 1 1 A 66 66 GLY C C 66 176.761 174.779 1.982 1
1 858 . 11 1 1 A 66 66 GLY CA C 66 46.630 45.500 1.130 1
1 859 . 11 1 1 A 66 66 GLY N N 66 114.644 107.030 7.614 1
1 860 . 11 1 1 A 67 67 ARG H H 67 8.118 8.067 0.051 1
1 861 . 11 1 1 A 67 67 ARG HA H 67 4.141 4.045 0.096 1
1 871 . 11 1 1 A 67 67 ARG C C 67 178.691 178.714 -0.023 1
1 872 . 11 1 1 A 67 67 ARG CA C 67 60.930 58.667 2.263 1
1 873 . 11 1 1 A 67 67 ARG CB C 67 31.240 29.762 1.478 1
1 876 . 11 1 1 A 67 67 ARG N N 67 121.922 122.271 -0.349 1
1 879 . 11 1 1 A 68 68 ARG H H 68 9.366 7.592 1.774 1
1 880 . 11 1 1 A 68 68 ARG HA H 68 4.282 4.010 0.272 1
1 887 . 11 1 1 A 68 68 ARG C C 68 178.681 178.979 -0.298 1
1 888 . 11 1 1 A 68 68 ARG CA C 68 59.410 59.032 0.378 1
1 889 . 11 1 1 A 68 68 ARG CB C 68 30.760 29.649 1.111 1
1 892 . 11 1 1 A 68 68 ARG N N 68 123.821 119.030 4.791 1
1 893 . 11 1 1 A 69 69 ALA H H 69 10.112 8.072 2.040 1
1 894 . 11 1 1 A 69 69 ALA HA H 69 3.800 4.089 -0.289 1
1 898 . 11 1 1 A 69 69 ALA C C 69 178.334 179.919 -1.585 1
1 899 . 11 1 1 A 69 69 ALA CA C 69 55.960 55.223 0.737 1
1 900 . 11 1 1 A 69 69 ALA CB C 69 17.730 18.746 -1.016 1
1 901 . 11 1 1 A 69 69 ALA N N 69 125.465 121.955 3.510 1
1 902 . 11 1 1 A 70 70 LEU H H 70 7.746 7.646 0.100 1
1 903 . 11 1 1 A 70 70 LEU HA H 70 3.340 3.109 0.231 1
1 913 . 11 1 1 A 70 70 LEU C C 70 177.996 177.962 0.034 1
1 914 . 11 1 1 A 70 70 LEU CA C 70 57.950 57.570 0.380 1
1 915 . 11 1 1 A 70 70 LEU CB C 70 40.720 41.479 -0.759 1
1 919 . 11 1 1 A 70 70 LEU N N 70 118.427 119.420 -0.993 1
1 920 . 11 1 1 A 71 71 ASP H H 71 7.662 8.644 -0.982 1
1 921 . 11 1 1 A 71 71 ASP HA H 71 4.236 4.232 0.004 1
1 924 . 11 1 1 A 71 71 ASP C C 71 179.560 178.583 0.977 1
1 925 . 11 1 1 A 71 71 ASP CA C 71 57.880 57.353 0.527 1
1 926 . 11 1 1 A 71 71 ASP CB C 71 40.340 40.333 0.007 1
1 927 . 11 1 1 A 71 71 ASP N N 71 120.180 117.926 2.254 1
1 928 . 11 1 1 A 72 72 ALA H H 72 8.796 7.967 0.829 1
1 929 . 11 1 1 A 72 72 ALA HA H 72 4.101 4.041 0.060 1
1 933 . 11 1 1 A 72 72 ALA C C 72 179.203 179.387 -0.184 1
1 934 . 11 1 1 A 72 72 ALA CA C 72 54.670 55.112 -0.442 1
1 935 . 11 1 1 A 72 72 ALA CB C 72 18.490 17.990 0.500 1
1 936 . 11 1 1 A 72 72 ALA N N 72 122.299 122.436 -0.137 1
1 937 . 11 1 1 A 73 73 ALA H H 73 8.672 7.958 0.714 1
1 938 . 11 1 1 A 73 73 ALA HA H 73 3.758 4.118 -0.360 1
1 942 . 11 1 1 A 73 73 ALA C C 73 179.251 179.879 -0.628 1
1 943 . 11 1 1 A 73 73 ALA CA C 73 55.950 55.124 0.826 1
1 944 . 11 1 1 A 73 73 ALA CB C 73 17.660 18.263 -0.603 1
1 945 . 11 1 1 A 73 73 ALA N N 73 121.294 119.661 1.633 1
1 946 . 11 1 1 A 74 74 LYS H H 74 8.914 8.091 0.823 1
1 947 . 11 1 1 A 74 74 LYS HA H 74 3.790 3.841 -0.051 1
1 956 . 11 1 1 A 74 74 LYS C C 74 179.589 179.602 -0.013 1
1 957 . 11 1 1 A 74 74 LYS CA C 74 60.620 59.291 1.329 1
1 958 . 11 1 1 A 74 74 LYS CB C 74 32.330 32.270 0.060 1
1 962 . 11 1 1 A 74 74 LYS N N 74 119.404 117.883 1.521 1
1 963 . 11 1 1 A 75 75 SER H H 75 7.874 7.990 -0.116 1
1 964 . 11 1 1 A 75 75 SER HA H 75 4.272 4.158 0.114 1
1 967 . 11 1 1 A 75 75 SER C C 75 176.944 176.545 0.399 1
1 968 . 11 1 1 A 75 75 SER CA C 75 61.840 61.542 0.298 1
1 969 . 11 1 1 A 75 75 SER CB C 75 62.990 62.950 0.040 1
1 970 . 11 1 1 A 75 75 SER N N 75 114.306 116.064 -1.758 1
1 971 . 11 1 1 A 76 76 MET H H 76 8.401 7.824 0.577 1
1 972 . 11 1 1 A 76 76 MET HA H 76 4.881 4.422 0.459 1
1 980 . 11 1 1 A 76 76 MET C C 76 179.811 178.790 1.021 1
1 981 . 11 1 1 A 76 76 MET CA C 76 56.060 58.184 -2.124 1
1 982 . 11 1 1 A 76 76 MET CB C 76 34.780 33.551 1.229 1
1 985 . 11 1 1 A 76 76 MET N N 76 119.510 120.277 -0.767 1
1 986 . 11 1 1 A 77 77 HIS H H 77 9.450 8.235 1.215 1
1 987 . 11 1 1 A 77 77 HIS HA H 77 5.148 4.780 0.368 1
1 992 . 11 1 1 A 77 77 HIS C C 77 181.596 177.903 3.693 1
1 993 . 11 1 1 A 77 77 HIS CA C 77 59.550 59.248 0.302 1
1 994 . 11 1 1 A 77 77 HIS CB C 77 30.720 29.631 1.089 1
1 997 . 11 1 1 A 77 77 HIS N N 77 123.245 117.774 5.471 1
1 998 . 11 1 1 A 78 78 GLU H H 78 7.832 8.155 -0.323 1
1 999 . 11 1 1 A 78 78 GLU HA H 78 4.159 4.030 0.129 1
1 1004 . 11 1 1 A 78 78 GLU C C 78 177.909 179.188 -1.279 1
1 1005 . 11 1 1 A 78 78 GLU CA C 78 59.110 59.011 0.099 1
1 1006 . 11 1 1 A 78 78 GLU CB C 78 29.380 29.392 -0.012 1
1 1008 . 11 1 1 A 78 78 GLU N N 78 121.124 120.516 0.608 1
1 1009 . 11 1 1 A 79 79 LEU H H 79 7.161 7.605 -0.444 1
1 1010 . 11 1 1 A 79 79 LEU HA H 79 4.360 4.121 0.239 1
1 1020 . 11 1 1 A 79 79 LEU C C 79 176.934 176.650 0.284 1
1 1021 . 11 1 1 A 79 79 LEU CA C 79 54.820 55.858 -1.038 1
1 1022 . 11 1 1 A 79 79 LEU CB C 79 43.300 42.978 0.322 1
1 1026 . 11 1 1 A 79 79 LEU N N 79 116.655 117.909 -1.254 1
1 1027 . 11 1 1 A 80 80 GLY H H 80 7.545 7.480 0.065 1
1 1028 . 11 1 1 A 80 80 GLY HA2 H 80 4.101 3.845 0.256 1
1 1029 . 11 1 1 A 80 80 GLY HA3 H 80 3.580 3.933 -0.353 1
1 1030 . 11 1 1 A 80 80 GLY C C 80 174.116 174.324 -0.208 1
1 1031 . 11 1 1 A 80 80 GLY CA C 80 45.010 44.848 0.162 1
1 1032 . 11 1 1 A 80 80 GLY N N 80 105.216 105.340 -0.124 1
1 1033 . 11 1 1 A 81 81 TYR H H 81 7.519 7.507 0.012 1
1 1034 . 11 1 1 A 81 81 TYR HA H 81 4.727 4.513 0.214 1
1 1041 . 11 1 1 A 81 81 TYR C C 81 174.377 175.244 -0.867 1
1 1042 . 11 1 1 A 81 81 TYR CA C 81 56.960 58.213 -1.253 1
1 1043 . 11 1 1 A 81 81 TYR CB C 81 40.310 39.058 1.252 1
1 1046 . 11 1 1 A 81 81 TYR N N 81 119.660 119.797 -0.137 1
1 1047 . 11 1 1 A 82 82 THR H H 82 8.786 8.756 0.030 1
1 1048 . 11 1 1 A 82 82 THR HA H 82 3.390 3.810 -0.420 1
1 1053 . 11 1 1 A 82 82 THR CA C 82 57.030 58.351 -1.321 1
1 1054 . 11 1 1 A 82 82 THR CB C 82 68.740 68.740 0.000 1
1 1056 . 11 1 1 A 82 82 THR N N 82 105.368 113.822 -8.454 1
1 1057 . 11 1 1 A 83 83 PRO HA H 83 5.003 4.765 0.238 1
1 1064 . 11 1 1 A 83 83 PRO C C 83 175.699 176.082 -0.383 1
1 1065 . 11 1 1 A 83 83 PRO CA C 83 63.140 62.417 0.723 1
1 1066 . 11 1 1 A 83 83 PRO CB C 83 31.570 32.223 -0.653 1
1 1069 . 11 1 1 A 84 84 TYR H H 84 9.497 8.631 0.866 1
1 1070 . 11 1 1 A 84 84 TYR HA H 84 5.482 5.147 0.335 1
1 1077 . 11 1 1 A 84 84 TYR C C 84 175.506 175.237 0.269 1
1 1078 . 11 1 1 A 84 84 TYR CA C 84 57.570 57.763 -0.193 1
1 1079 . 11 1 1 A 84 84 TYR CB C 84 40.500 39.780 0.720 1
1 1082 . 11 1 1 A 84 84 TYR N N 84 119.880 120.018 -0.138 1
1 1083 . 11 1 1 A 85 85 TYR H H 85 8.570 8.748 -0.178 1
1 1084 . 11 1 1 A 85 85 TYR HA H 85 5.730 5.560 0.170 1
1 1089 . 11 1 1 A 85 85 TYR C C 85 172.215 172.381 -0.166 1
1 1090 . 11 1 1 A 85 85 TYR CA C 85 55.240 55.668 -0.428 1
1 1091 . 11 1 1 A 85 85 TYR CB C 85 40.830 41.865 -1.035 1
1 1093 . 11 1 1 A 85 85 TYR N N 85 116.764 118.105 -1.341 1
1 1094 . 11 1 1 A 86 86 LEU H H 86 8.196 9.056 -0.860 1
1 1095 . 11 1 1 A 86 86 LEU HA H 86 4.881 5.281 -0.400 1
1 1105 . 11 1 1 A 86 86 LEU C C 86 177.552 174.732 2.820 1
1 1106 . 11 1 1 A 86 86 LEU CA C 86 53.376 53.507 -0.131 1
1 1107 . 11 1 1 A 86 86 LEU CB C 86 44.360 45.188 -0.828 1
1 1111 . 11 1 1 A 86 86 LEU N N 86 121.589 123.563 -1.974 1
1 1112 . 11 1 1 A 87 87 GLU H H 87 9.146 8.565 0.581 1
1 1113 . 11 1 1 A 87 87 GLU HA H 87 4.797 4.881 -0.084 1
1 1118 . 11 1 1 A 87 87 GLU C C 87 174.965 176.690 -1.725 1
1 1119 . 11 1 1 A 87 87 GLU CA C 87 55.405 55.820 -0.415 1
1 1120 . 11 1 1 A 87 87 GLU CB C 87 30.010 30.178 -0.168 1
1 1122 . 11 1 1 A 87 87 GLU N N 87 128.779 126.663 2.116 1
1 1123 . 11 1 1 A 88 88 GLY H H 88 7.349 8.363 -1.014 1
1 1124 . 11 1 1 A 88 88 GLY HA2 H 88 4.110 4.193 -0.083 1
1 1125 . 11 1 1 A 88 88 GLY HA3 H 88 4.023 4.276 -0.253 1
1 1126 . 11 1 1 A 88 88 GLY C C 88 170.593 172.021 -1.428 1
1 1127 . 11 1 1 A 88 88 GLY CA C 88 44.970 46.077 -1.107 1
1 1128 . 11 1 1 A 88 88 GLY N N 88 112.564 111.125 1.439 1
1 1129 . 11 1 1 A 89 89 ASN H H 89 8.756 8.660 0.096 1
1 1130 . 11 1 1 A 89 89 ASN HA H 89 5.722 5.291 0.431 1
1 1135 . 11 1 1 A 89 89 ASN C C 89 176.336 175.950 0.386 1
1 1136 . 11 1 1 A 89 89 ASN CA C 89 52.210 54.023 -1.813 1
1 1137 . 11 1 1 A 89 89 ASN CB C 89 40.950 38.820 2.130 1
1 1138 . 11 1 1 A 89 89 ASN N N 89 121.363 119.921 1.442 1
1 1140 . 11 1 1 A 90 90 VAL H H 90 8.928 8.110 0.818 1
1 1141 . 11 1 1 A 90 90 VAL HA H 90 4.425 2.123 2.302 1
1 1149 . 11 1 1 A 90 90 VAL C C 90 175.660 176.530 -0.870 1
1 1150 . 11 1 1 A 90 90 VAL CA C 90 58.930 63.976 -5.046 1
1 1151 . 11 1 1 A 90 90 VAL CB C 90 30.860 31.407 -0.547 1
1 1154 . 11 1 1 A 90 90 VAL N N 90 128.990 126.222 2.768 1
1 1155 . 11 1 1 A 91 91 TYR H H 91 8.330 7.600 0.730 1
1 1156 . 11 1 1 A 91 91 TYR HA H 91 4.016 4.208 -0.192 1
1 1163 . 11 1 1 A 91 91 TYR C C 91 175.718 177.391 -1.673 1
1 1164 . 11 1 1 A 91 91 TYR CA C 91 61.700 61.529 0.171 1
1 1165 . 11 1 1 A 91 91 TYR CB C 91 36.580 37.518 -0.938 1
1 1168 . 11 1 1 A 91 91 TYR N N 91 119.510 119.704 -0.194 1
1 1169 . 11 1 1 A 92 92 ASP H H 92 8.654 7.820 0.834 1
1 1170 . 11 1 1 A 92 92 ASP HA H 92 5.146 4.771 0.375 1
1 1173 . 11 1 1 A 92 92 ASP C C 92 177.224 178.751 -1.527 1
1 1174 . 11 1 1 A 92 92 ASP CA C 92 54.290 55.601 -1.311 1
1 1175 . 11 1 1 A 92 92 ASP CB C 92 42.670 40.908 1.762 1
1 1176 . 11 1 1 A 92 92 ASP N N 92 117.541 120.413 -2.872 1
1 1177 . 11 1 1 A 93 93 PHE H H 93 7.673 7.791 -0.118 1
1 1178 . 11 1 1 A 93 93 PHE HA H 93 4.688 4.500 0.188 1
1 1186 . 11 1 1 A 93 93 PHE C C 93 179.270 178.600 0.670 1
1 1187 . 11 1 1 A 93 93 PHE CA C 93 60.340 61.657 -1.317 1
1 1188 . 11 1 1 A 93 93 PHE CB C 93 36.010 38.584 -2.574 1
1 1192 . 11 1 1 A 93 93 PHE N N 93 123.205 117.889 5.316 1
1 1193 . 11 1 1 A 94 94 GLU H H 94 9.164 8.524 0.640 1
1 1194 . 11 1 1 A 94 94 GLU HA H 94 4.676 4.465 0.211 1
1 1199 . 11 1 1 A 94 94 GLU C C 94 180.805 179.289 1.516 1
1 1200 . 11 1 1 A 94 94 GLU CA C 94 59.240 60.160 -0.920 1
1 1201 . 11 1 1 A 94 94 GLU CB C 94 29.640 29.796 -0.156 1
1 1203 . 11 1 1 A 94 94 GLU N N 94 118.657 119.931 -1.274 1
1 1204 . 11 1 1 A 95 95 LYS H H 95 8.005 8.405 -0.400 1
1 1205 . 11 1 1 A 95 95 LYS HA H 95 4.103 4.219 -0.116 1
1 1214 . 11 1 1 A 95 95 LYS C C 95 177.948 177.300 0.648 1
1 1215 . 11 1 1 A 95 95 LYS CA C 95 58.680 58.826 -0.146 1
1 1216 . 11 1 1 A 95 95 LYS CB C 95 31.690 31.854 -0.164 1
1 1220 . 11 1 1 A 95 95 LYS N N 95 121.494 119.232 2.262 1
1 1221 . 11 1 1 A 96 96 TYR H H 96 7.710 7.676 0.034 1
1 1222 . 11 1 1 A 96 96 TYR HA H 96 4.332 4.621 -0.289 1
1 1229 . 11 1 1 A 96 96 TYR C C 96 174.550 175.639 -1.089 1
1 1230 . 11 1 1 A 96 96 TYR CA C 96 59.370 58.105 1.265 1
1 1231 . 11 1 1 A 96 96 TYR CB C 96 38.340 38.858 -0.518 1
1 1234 . 11 1 1 A 96 96 TYR N N 96 117.421 118.700 -1.279 1
1 1235 . 11 1 1 A 97 97 GLY H H 97 7.796 7.658 0.138 1
1 1236 . 11 1 1 A 97 97 GLY HA2 H 97 3.966 3.749 0.217 1
1 1237 . 11 1 1 A 97 97 GLY HA3 H 97 3.580 3.902 -0.322 1
1 1238 . 11 1 1 A 97 97 GLY C C 97 173.662 173.996 -0.334 1
1 1239 . 11 1 1 A 97 97 GLY CA C 97 45.160 45.380 -0.220 1
1 1240 . 11 1 1 A 97 97 GLY N N 97 105.806 107.930 -2.124 1
1 1241 . 11 1 1 A 98 98 PHE H H 98 7.323 7.815 -0.492 1
1 1242 . 11 1 1 A 98 98 PHE HA H 98 4.644 4.663 -0.019 1
1 1250 . 11 1 1 A 98 98 PHE C C 98 173.353 175.484 -2.131 1
1 1251 . 11 1 1 A 98 98 PHE CA C 98 57.490 57.952 -0.462 1
1 1252 . 11 1 1 A 98 98 PHE CB C 98 38.550 40.212 -1.662 1
1 1256 . 11 1 1 A 98 98 PHE N N 98 120.718 118.863 1.855 1
1 1257 . 11 1 1 A 99 99 ARG H H 99 7.903 8.536 -0.633 1
1 1258 . 11 1 1 A 99 99 ARG HA H 99 4.283 4.243 0.040 1
1 1265 . 11 1 1 A 99 99 ARG C C 99 175.680 176.311 -0.631 1
1 1266 . 11 1 1 A 99 99 ARG CA C 99 56.320 56.380 -0.060 1
1 1267 . 11 1 1 A 99 99 ARG CB C 99 30.610 30.483 0.127 1
1 1270 . 11 1 1 A 99 99 ARG N N 99 122.817 123.841 -1.024 1
1 1271 . 11 1 1 A 100 100 MET H H 100 8.133 8.925 -0.792 1
1 1272 . 11 1 1 A 100 100 MET HA H 100 4.843 4.801 0.042 1
1 1280 . 11 1 1 A 100 100 MET C C 100 175.255 174.362 0.893 1
1 1281 . 11 1 1 A 100 100 MET CA C 100 52.343 54.333 -1.990 1
1 1282 . 11 1 1 A 100 100 MET CB C 100 34.410 36.882 -2.472 1
1 1285 . 11 1 1 A 100 100 MET N N 100 121.483 121.184 0.299 1
1 1286 . 11 1 1 A 101 101 VAL H H 101 8.471 8.559 -0.088 1
1 1287 . 11 1 1 A 101 101 VAL HA H 101 3.890 4.352 -0.462 1
1 1295 . 11 1 1 A 101 101 VAL C C 101 175.351 174.927 0.424 1
1 1296 . 11 1 1 A 101 101 VAL CA C 101 61.500 61.770 -0.270 1
1 1297 . 11 1 1 A 101 101 VAL CB C 101 31.730 31.207 0.523 1
1 1300 . 11 1 1 A 101 101 VAL N N 101 119.940 122.820 -2.880 1
1 1301 . 11 1 1 A 102 102 TYR H H 102 8.612 8.920 -0.308 1
1 1302 . 11 1 1 A 102 102 TYR HA H 102 4.938 4.875 0.063 1
1 1309 . 11 1 1 A 102 102 TYR C C 102 175.892 176.133 -0.241 1
1 1310 . 11 1 1 A 102 102 TYR CA C 102 57.140 57.162 -0.022 1
1 1311 . 11 1 1 A 102 102 TYR CB C 102 40.990 40.054 0.936 1
1 1314 . 11 1 1 A 102 102 TYR N N 102 126.390 127.103 -0.713 1
1 1315 . 11 1 1 A 103 103 ASP H H 103 8.071 9.050 -0.979 1
1 1316 . 11 1 1 A 103 103 ASP HA H 103 4.621 4.557 0.064 1
1 1319 . 11 1 1 A 103 103 ASP C C 103 176.220 176.638 -0.418 1
1 1320 . 11 1 1 A 103 103 ASP CA C 103 55.050 54.834 0.216 1
1 1321 . 11 1 1 A 103 103 ASP CB C 103 40.220 39.291 0.929 1
1 1322 . 11 1 1 A 103 103 ASP N N 103 120.738 123.875 -3.137 1
1 1323 . 11 1 1 A 104 104 ASP H H 104 8.642 7.998 0.644 1
1 1324 . 11 1 1 A 104 104 ASP HA H 104 4.730 4.647 0.083 1
1 1327 . 11 1 1 A 104 104 ASP C C 104 176.095 178.322 -2.227 1
1 1328 . 11 1 1 A 104 104 ASP CA C 104 53.510 54.652 -1.142 1
1 1329 . 11 1 1 A 104 104 ASP CB C 104 41.060 40.639 0.421 1
1 1330 . 11 1 1 A 104 104 ASP N N 104 121.582 119.260 2.322 1
1 1331 . 11 1 1 A 105 105 THR H H 105 8.119 7.979 0.140 1
1 1332 . 11 1 1 A 105 105 THR HA H 105 4.389 3.917 0.472 1
1 1337 . 11 1 1 A 105 105 THR C C 105 173.508 175.822 -2.314 1
1 1338 . 11 1 1 A 105 105 THR CA C 105 61.580 65.807 -4.227 1
1 1339 . 11 1 1 A 105 105 THR CB C 105 69.840 69.047 0.793 1
1 1341 . 11 1 1 A 105 105 THR N N 105 113.632 115.353 -1.721 1
1 1342 . 11 1 1 A 106 106 CYS H H 106 8.013 7.735 0.278 1
1 1343 . 11 1 1 A 106 106 CYS N N 106 129.098 118.049 11.049 1
1 1344 . 11 1 1 A 107 107 ASP HA H 107 4.606 4.856 -0.250 1
1 1347 . 11 1 1 A 107 107 ASP C C 107 176.075 175.712 0.363 1
1 1348 . 11 1 1 A 107 107 ASP CA C 107 54.790 53.786 1.004 1
1 1349 . 11 1 1 A 107 107 ASP CB C 107 40.990 44.472 -3.482 1
1 1350 . 11 1 1 A 108 108 LYS H H 108 8.216 8.753 -0.537 1
1 1351 . 11 1 1 A 108 108 LYS HA H 108 4.326 4.165 0.161 1
1 1360 . 11 1 1 A 108 108 LYS C C 108 176.490 176.294 0.196 1
1 1361 . 11 1 1 A 108 108 LYS CA C 108 56.140 58.463 -2.323 1
1 1362 . 11 1 1 A 108 108 LYS CB C 108 32.910 32.738 0.172 1
1 1366 . 11 1 1 A 108 108 LYS N N 108 121.982 123.922 -1.940 1
1 1367 . 11 1 1 A 109 109 LYS H H 109 8.411 7.364 1.047 1
1 1368 . 11 1 1 A 109 109 LYS HA H 109 4.344 4.572 -0.228 1
1 1377 . 11 1 1 A 109 109 LYS C C 109 175.583 175.583 0.000 1
1 1378 . 11 1 1 A 109 109 LYS CA C 109 56.150 55.781 0.369 1
1 1379 . 11 1 1 A 109 109 LYS CB C 109 33.050 33.770 -0.720 1
1 1383 . 11 1 1 A 109 109 LYS N N 109 122.966 115.372 7.594 1
1 14 . 12 1 1 A 2 2 LEU H H 2 8.858 8.387 0.471 1
1 15 . 12 1 1 A 2 2 LEU HA H 2 4.010 4.177 -0.167 1
1 25 . 12 1 1 A 2 2 LEU C C 2 179.512 177.852 1.660 1
1 26 . 12 1 1 A 2 2 LEU CA C 2 57.230 56.611 0.619 1
1 27 . 12 1 1 A 2 2 LEU CB C 2 41.500 41.679 -0.179 1
1 31 . 12 1 1 A 2 2 LEU N N 2 124.589 124.195 0.394 1
1 32 . 12 1 1 A 3 3 GLU H H 3 9.299 9.033 0.266 1
1 33 . 12 1 1 A 3 3 GLU HA H 3 4.234 4.667 -0.433 1
1 38 . 12 1 1 A 3 3 GLU C C 3 178.189 178.618 -0.429 1
1 39 . 12 1 1 A 3 3 GLU CA C 3 59.930 58.514 1.416 1
1 40 . 12 1 1 A 3 3 GLU CB C 3 28.810 27.975 0.835 1
1 42 . 12 1 1 A 3 3 GLU N N 3 118.833 121.946 -3.113 1
1 43 . 12 1 1 A 4 4 ASP H H 4 8.188 8.234 -0.046 1
1 44 . 12 1 1 A 4 4 ASP HA H 4 4.524 4.386 0.138 1
1 47 . 12 1 1 A 4 4 ASP C C 4 176.722 177.662 -0.940 1
1 48 . 12 1 1 A 4 4 ASP CA C 4 56.240 57.084 -0.844 1
1 49 . 12 1 1 A 4 4 ASP CB C 4 39.910 40.530 -0.620 1
1 50 . 12 1 1 A 4 4 ASP N N 4 118.286 121.965 -3.679 1
1 51 . 12 1 1 A 5 5 TYR H H 5 8.336 7.932 0.404 1
1 52 . 12 1 1 A 5 5 TYR HA H 5 4.284 4.504 -0.220 1
1 59 . 12 1 1 A 5 5 TYR C C 5 172.456 175.603 -3.147 1
1 60 . 12 1 1 A 5 5 TYR CA C 5 58.770 59.057 -0.287 1
1 61 . 12 1 1 A 5 5 TYR CB C 5 37.820 37.556 0.264 1
1 64 . 12 1 1 A 5 5 TYR N N 5 119.641 116.120 3.521 1
1 65 . 12 1 1 A 6 6 ALA H H 6 6.748 7.283 -0.535 1
1 66 . 12 1 1 A 6 6 ALA HA H 6 3.470 3.322 0.148 1
1 70 . 12 1 1 A 6 6 ALA C C 6 178.122 176.547 1.575 1
1 71 . 12 1 1 A 6 6 ALA CA C 6 51.440 51.492 -0.052 1
1 72 . 12 1 1 A 6 6 ALA CB C 6 19.600 18.795 0.805 1
1 73 . 12 1 1 A 6 6 ALA N N 6 122.727 122.788 -0.061 1
1 74 . 12 1 1 A 7 7 ILE H H 7 8.665 8.340 0.325 1
1 75 . 12 1 1 A 7 7 ILE HA H 7 4.303 4.610 -0.307 1
1 85 . 12 1 1 A 7 7 ILE C C 7 174.386 175.382 -0.996 1
1 86 . 12 1 1 A 7 7 ILE CA C 7 58.640 59.842 -1.202 1
1 87 . 12 1 1 A 7 7 ILE CB C 7 39.820 39.788 0.032 1
1 91 . 12 1 1 A 7 7 ILE N N 7 124.318 124.355 -0.037 1
1 92 . 12 1 1 A 8 8 SER H H 8 8.884 8.534 0.350 1
1 93 . 12 1 1 A 8 8 SER HA H 8 4.881 4.539 0.342 1
1 96 . 12 1 1 A 8 8 SER C C 8 176.268 175.301 0.967 1
1 97 . 12 1 1 A 8 8 SER CA C 8 57.157 58.486 -1.329 1
1 98 . 12 1 1 A 8 8 SER CB C 8 64.390 64.208 0.182 1
1 99 . 12 1 1 A 8 8 SER N N 8 122.739 121.819 0.920 1
1 100 . 12 1 1 A 9 9 LEU H H 9 8.077 8.711 -0.634 1
1 101 . 12 1 1 A 9 9 LEU HA H 9 3.652 3.917 -0.265 1
1 111 . 12 1 1 A 9 9 LEU C C 9 175.322 178.406 -3.084 1
1 112 . 12 1 1 A 9 9 LEU CA C 9 57.190 58.235 -1.045 1
1 113 . 12 1 1 A 9 9 LEU CB C 9 42.290 41.466 0.824 1
1 117 . 12 1 1 A 9 9 LEU N N 9 126.321 127.949 -1.628 1
1 118 . 12 1 1 A 10 10 GLU H H 10 8.361 9.797 -1.436 1
1 119 . 12 1 1 A 10 10 GLU HA H 10 3.754 4.495 -0.741 1
1 124 . 12 1 1 A 10 10 GLU C C 10 176.452 177.546 -1.094 1
1 125 . 12 1 1 A 10 10 GLU CA C 10 58.470 58.200 0.270 1
1 126 . 12 1 1 A 10 10 GLU CB C 10 29.480 27.658 1.822 1
1 128 . 12 1 1 A 10 10 GLU N N 10 112.911 117.827 -4.916 1
1 129 . 12 1 1 A 11 11 GLU H H 11 7.284 7.998 -0.714 1
1 130 . 12 1 1 A 11 11 GLU HA H 11 4.531 4.551 -0.020 1
1 135 . 12 1 1 A 11 11 GLU C C 11 176.539 176.492 0.047 1
1 136 . 12 1 1 A 11 11 GLU CA C 11 55.240 56.320 -1.080 1
1 137 . 12 1 1 A 11 11 GLU CB C 11 32.160 30.849 1.311 1
1 139 . 12 1 1 A 11 11 GLU N N 11 114.276 116.231 -1.955 1
1 140 . 12 1 1 A 12 12 VAL H H 12 7.077 7.040 0.037 1
1 141 . 12 1 1 A 12 12 VAL HA H 12 3.677 3.977 -0.300 1
1 149 . 12 1 1 A 12 12 VAL C C 12 173.900 175.239 -1.339 1
1 150 . 12 1 1 A 12 12 VAL CA C 12 62.510 62.428 0.082 1
1 151 . 12 1 1 A 12 12 VAL CB C 12 31.920 32.169 -0.249 1
1 154 . 12 1 1 A 12 12 VAL N N 12 121.932 121.554 0.378 1
1 155 . 12 1 1 A 13 13 ASN H H 13 7.996 8.398 -0.402 1
1 156 . 12 1 1 A 13 13 ASN HA H 13 4.840 5.136 -0.296 1
1 161 . 12 1 1 A 13 13 ASN C C 13 176.876 175.018 1.858 1
1 162 . 12 1 1 A 13 13 ASN CA C 13 52.168 51.416 0.752 1
1 163 . 12 1 1 A 13 13 ASN CB C 13 38.500 39.101 -0.601 1
1 164 . 12 1 1 A 13 13 ASN N N 13 121.232 125.651 -4.419 1
1 166 . 12 1 1 A 14 14 PHE H H 14 6.268 8.038 -1.770 1
1 167 . 12 1 1 A 14 14 PHE HA H 14 3.868 4.146 -0.278 1
1 175 . 12 1 1 A 14 14 PHE C C 14 176.423 178.099 -1.676 1
1 176 . 12 1 1 A 14 14 PHE CA C 14 62.520 60.955 1.565 1
1 177 . 12 1 1 A 14 14 PHE CB C 14 38.780 38.448 0.332 1
1 181 . 12 1 1 A 14 14 PHE N N 14 120.637 121.725 -1.088 1
1 182 . 12 1 1 A 15 15 ASN H H 15 8.184 8.695 -0.511 1
1 183 . 12 1 1 A 15 15 ASN HA H 15 4.602 4.392 0.210 1
1 188 . 12 1 1 A 15 15 ASN C C 15 175.738 177.222 -1.484 1
1 189 . 12 1 1 A 15 15 ASN CA C 15 55.240 55.782 -0.542 1
1 190 . 12 1 1 A 15 15 ASN CB C 15 38.270 37.210 1.060 1
1 191 . 12 1 1 A 15 15 ASN N N 15 113.599 116.448 -2.849 1
1 193 . 12 1 1 A 16 16 ASP H H 16 7.680 7.321 0.359 1
1 194 . 12 1 1 A 16 16 ASP HA H 16 4.450 4.243 0.207 1
1 197 . 12 1 1 A 16 16 ASP C C 16 174.589 175.190 -0.601 1
1 198 . 12 1 1 A 16 16 ASP CA C 16 54.860 56.127 -1.267 1
1 199 . 12 1 1 A 16 16 ASP CB C 16 41.140 41.218 -0.078 1
1 200 . 12 1 1 A 16 16 ASP N N 16 117.808 119.496 -1.688 1
1 201 . 12 1 1 A 17 17 PHE H H 17 7.648 7.256 0.392 1
1 202 . 12 1 1 A 17 17 PHE HA H 17 4.788 4.944 -0.156 1
1 210 . 12 1 1 A 17 17 PHE C C 17 175.516 176.093 -0.577 1
1 211 . 12 1 1 A 17 17 PHE CA C 17 56.790 57.183 -0.393 1
1 212 . 12 1 1 A 17 17 PHE CB C 17 44.090 41.164 2.926 1
1 216 . 12 1 1 A 17 17 PHE N N 17 116.207 115.585 0.622 1
1 217 . 12 1 1 A 18 18 ILE H H 18 8.674 8.785 -0.111 1
1 218 . 12 1 1 A 18 18 ILE HA H 18 4.335 4.350 -0.015 1
1 228 . 12 1 1 A 18 18 ILE C C 18 175.612 175.895 -0.283 1
1 229 . 12 1 1 A 18 18 ILE CA C 18 60.930 61.520 -0.590 1
1 230 . 12 1 1 A 18 18 ILE CB C 18 37.620 37.067 0.553 1
1 234 . 12 1 1 A 18 18 ILE N N 18 121.498 123.704 -2.206 1
1 235 . 12 1 1 A 19 19 VAL H H 19 9.009 8.385 0.624 1
1 236 . 12 1 1 A 19 19 VAL HA H 19 4.760 4.936 -0.176 1
1 244 . 12 1 1 A 19 19 VAL C C 19 175.622 175.404 0.218 1
1 245 . 12 1 1 A 19 19 VAL CA C 19 62.974 61.910 1.064 1
1 246 . 12 1 1 A 19 19 VAL CB C 19 32.770 32.537 0.233 1
1 249 . 12 1 1 A 19 19 VAL N N 19 129.378 128.568 0.810 1
1 250 . 12 1 1 A 20 20 VAL H H 20 9.606 9.081 0.525 1
1 251 . 12 1 1 A 20 20 VAL HA H 20 4.581 4.484 0.097 1
1 259 . 12 1 1 A 20 20 VAL C C 20 172.234 174.737 -2.503 1
1 260 . 12 1 1 A 20 20 VAL CA C 20 60.660 60.704 -0.044 1
1 261 . 12 1 1 A 20 20 VAL CB C 20 33.910 35.086 -1.176 1
1 264 . 12 1 1 A 20 20 VAL N N 20 131.965 126.644 5.321 1
1 265 . 12 1 1 A 21 21 ASP H H 21 8.367 8.787 -0.420 1
1 266 . 12 1 1 A 21 21 ASP HA H 21 4.105 4.232 -0.127 1
1 269 . 12 1 1 A 21 21 ASP C C 21 176.182 175.498 0.684 1
1 270 . 12 1 1 A 21 21 ASP CA C 21 50.850 53.341 -2.491 1
1 271 . 12 1 1 A 21 21 ASP CB C 21 43.460 40.803 2.657 1
1 272 . 12 1 1 A 21 21 ASP N N 21 129.516 127.607 1.909 1
1 273 . 12 1 1 A 22 22 VAL H H 22 8.095 7.969 0.126 1
1 274 . 12 1 1 A 22 22 VAL HA H 22 5.720 4.686 1.034 1
1 282 . 12 1 1 A 22 22 VAL C C 22 178.006 174.531 3.475 1
1 283 . 12 1 1 A 22 22 VAL CA C 22 58.990 61.301 -2.311 1
1 284 . 12 1 1 A 22 22 VAL CB C 22 30.150 31.029 -0.879 1
1 287 . 12 1 1 A 22 22 VAL N N 22 114.833 120.256 -5.423 1
1 288 . 12 1 1 A 23 23 ARG H H 23 7.467 8.162 -0.695 1
1 289 . 12 1 1 A 23 23 ARG HA H 23 4.358 4.560 -0.202 1
1 299 . 12 1 1 A 23 23 ARG C C 23 172.157 176.067 -3.910 1
1 300 . 12 1 1 A 23 23 ARG CA C 23 56.190 56.511 -0.321 1
1 301 . 12 1 1 A 23 23 ARG CB C 23 31.230 32.441 -1.211 1
1 304 . 12 1 1 A 23 23 ARG N N 23 120.418 125.168 -4.750 1
1 307 . 12 1 1 A 24 24 GLU H H 24 7.372 7.657 -0.285 1
1 308 . 12 1 1 A 24 24 GLU HA H 24 4.454 4.568 -0.114 1
1 313 . 12 1 1 A 24 24 GLU C C 24 178.807 176.175 2.632 1
1 314 . 12 1 1 A 24 24 GLU CA C 24 53.870 55.782 -1.912 1
1 315 . 12 1 1 A 24 24 GLU CB C 24 31.610 33.384 -1.774 1
1 317 . 12 1 1 A 24 24 GLU N N 24 111.001 115.815 -4.814 1
1 318 . 12 1 1 A 25 25 LEU H H 25 8.842 8.618 0.224 1
1 319 . 12 1 1 A 25 25 LEU HA H 25 3.922 3.919 0.003 1
1 329 . 12 1 1 A 25 25 LEU C C 25 177.591 177.664 -0.073 1
1 330 . 12 1 1 A 25 25 LEU CA C 25 58.800 58.799 0.001 1
1 331 . 12 1 1 A 25 25 LEU CB C 25 42.000 41.584 0.416 1
1 335 . 12 1 1 A 25 25 LEU N N 25 122.468 126.150 -3.682 1
1 336 . 12 1 1 A 26 26 ASP H H 26 8.671 8.066 0.605 1
1 337 . 12 1 1 A 26 26 ASP HA H 26 4.389 4.316 0.073 1
1 340 . 12 1 1 A 26 26 ASP C C 26 178.739 178.539 0.200 1
1 341 . 12 1 1 A 26 26 ASP CA C 26 56.540 58.013 -1.473 1
1 342 . 12 1 1 A 26 26 ASP CB C 26 39.570 42.319 -2.749 1
1 343 . 12 1 1 A 26 26 ASP N N 26 114.189 118.483 -4.294 1
1 344 . 12 1 1 A 27 27 GLU H H 27 7.235 8.133 -0.898 1
1 345 . 12 1 1 A 27 27 GLU HA H 27 4.304 4.102 0.202 1
1 350 . 12 1 1 A 27 27 GLU C C 27 177.678 178.675 -0.997 1
1 351 . 12 1 1 A 27 27 GLU CA C 27 58.830 58.672 0.158 1
1 352 . 12 1 1 A 27 27 GLU CB C 27 30.650 29.439 1.211 1
1 354 . 12 1 1 A 27 27 GLU N N 27 120.618 118.905 1.713 1
1 355 . 12 1 1 A 28 28 TYR H H 28 7.703 8.137 -0.434 1
1 356 . 12 1 1 A 28 28 TYR HA H 28 4.149 4.055 0.094 1
1 363 . 12 1 1 A 28 28 TYR C C 28 177.108 178.173 -1.065 1
1 364 . 12 1 1 A 28 28 TYR CA C 28 60.600 61.381 -0.781 1
1 365 . 12 1 1 A 28 28 TYR CB C 28 39.300 38.514 0.786 1
1 370 . 12 1 1 A 28 28 TYR N N 28 121.871 122.395 -0.524 1
1 371 . 12 1 1 A 29 29 GLU H H 29 8.727 8.080 0.647 1
1 372 . 12 1 1 A 29 29 GLU HA H 29 3.823 4.146 -0.323 1
1 377 . 12 1 1 A 29 29 GLU C C 29 177.456 179.051 -1.595 1
1 378 . 12 1 1 A 29 29 GLU CA C 29 58.770 59.729 -0.959 1
1 379 . 12 1 1 A 29 29 GLU CB C 29 29.880 29.518 0.362 1
1 381 . 12 1 1 A 29 29 GLU N N 29 116.326 118.771 -2.445 1
1 382 . 12 1 1 A 30 30 GLU H H 30 7.225 8.110 -0.885 1
1 383 . 12 1 1 A 30 30 GLU HA H 30 4.219 4.180 0.039 1
1 388 . 12 1 1 A 30 30 GLU C C 30 177.012 176.355 0.657 1
1 389 . 12 1 1 A 30 30 GLU CA C 30 59.750 59.217 0.533 1
1 390 . 12 1 1 A 30 30 GLU CB C 30 29.310 29.183 0.127 1
1 392 . 12 1 1 A 30 30 GLU N N 30 119.394 118.307 1.087 1
1 393 . 12 1 1 A 31 31 LEU H H 31 7.512 7.596 -0.084 1
1 394 . 12 1 1 A 31 31 LEU HA H 31 5.102 4.477 0.625 1
1 404 . 12 1 1 A 31 31 LEU C C 31 173.363 174.569 -1.206 1
1 405 . 12 1 1 A 31 31 LEU CA C 31 55.760 53.568 2.192 1
1 406 . 12 1 1 A 31 31 LEU CB C 31 42.880 43.882 -1.002 1
1 410 . 12 1 1 A 31 31 LEU N N 31 118.039 116.629 1.410 1
1 411 . 12 1 1 A 32 32 HIS H H 32 8.196 8.240 -0.044 1
1 412 . 12 1 1 A 32 32 HIS HA H 32 4.433 5.024 -0.591 1
1 417 . 12 1 1 A 32 32 HIS C C 32 171.973 171.856 0.117 1
1 418 . 12 1 1 A 32 32 HIS CA C 32 54.660 54.192 0.468 1
1 419 . 12 1 1 A 32 32 HIS CB C 32 31.500 31.365 0.135 1
1 422 . 12 1 1 A 32 32 HIS N N 32 114.425 115.263 -0.838 1
1 423 . 12 1 1 A 33 33 LEU H H 33 10.099 8.677 1.422 1
1 424 . 12 1 1 A 33 33 LEU HA H 33 4.745 4.274 0.471 1
1 434 . 12 1 1 A 33 33 LEU CA C 33 53.423 52.700 0.723 1
1 435 . 12 1 1 A 33 33 LEU CB C 33 42.750 41.090 1.660 1
1 439 . 12 1 1 A 33 33 LEU N N 33 124.819 120.813 4.006 1
1 440 . 12 1 1 A 34 34 PRO HA H 34 4.328 4.457 -0.129 1
1 447 . 12 1 1 A 34 34 PRO C C 34 177.012 176.978 0.034 1
1 448 . 12 1 1 A 34 34 PRO CA C 34 64.440 64.175 0.265 1
1 449 . 12 1 1 A 34 34 PRO CB C 34 31.660 31.782 -0.122 1
1 452 . 12 1 1 A 35 35 ASN H H 35 8.736 8.127 0.609 1
1 453 . 12 1 1 A 35 35 ASN HA H 35 4.701 4.898 -0.197 1
1 458 . 12 1 1 A 35 35 ASN C C 35 174.801 175.520 -0.719 1
1 459 . 12 1 1 A 35 35 ASN CA C 35 53.470 53.290 0.180 1
1 460 . 12 1 1 A 35 35 ASN CB C 35 37.650 39.209 -1.559 1
1 461 . 12 1 1 A 35 35 ASN N N 35 113.231 115.486 -2.255 1
1 463 . 12 1 1 A 36 36 ALA H H 36 7.434 7.322 0.112 1
1 464 . 12 1 1 A 36 36 ALA HA H 36 4.523 4.632 -0.109 1
1 468 . 12 1 1 A 36 36 ALA C C 36 177.494 176.978 0.516 1
1 469 . 12 1 1 A 36 36 ALA CA C 36 52.700 50.815 1.885 1
1 470 . 12 1 1 A 36 36 ALA CB C 36 21.760 20.572 1.188 1
1 471 . 12 1 1 A 36 36 ALA N N 36 122.419 122.301 0.118 1
1 472 . 12 1 1 A 37 37 THR H H 37 8.334 8.819 -0.485 1
1 473 . 12 1 1 A 37 37 THR HA H 37 4.184 4.521 -0.337 1
1 479 . 12 1 1 A 37 37 THR C C 37 172.359 173.800 -1.441 1
1 480 . 12 1 1 A 37 37 THR CA C 37 63.020 63.063 -0.043 1
1 481 . 12 1 1 A 37 37 THR CB C 37 69.800 69.483 0.317 1
1 483 . 12 1 1 A 37 37 THR N N 37 121.183 119.145 2.038 1
1 484 . 12 1 1 A 38 38 LEU H H 38 8.306 8.553 -0.247 1
1 485 . 12 1 1 A 38 38 LEU HA H 38 4.815 4.561 0.254 1
1 495 . 12 1 1 A 38 38 LEU C C 38 176.529 174.900 1.629 1
1 496 . 12 1 1 A 38 38 LEU CA C 38 53.873 54.480 -0.607 1
1 497 . 12 1 1 A 38 38 LEU CB C 38 41.830 42.273 -0.443 1
1 501 . 12 1 1 A 38 38 LEU N N 38 130.981 129.684 1.297 1
1 502 . 12 1 1 A 39 39 ILE H H 39 8.612 8.120 0.492 1
1 503 . 12 1 1 A 39 39 ILE HA H 39 3.779 4.589 -0.810 1
1 513 . 12 1 1 A 39 39 ILE C C 39 172.186 174.638 -2.452 1
1 514 . 12 1 1 A 39 39 ILE CA C 39 62.040 59.735 2.305 1
1 515 . 12 1 1 A 39 39 ILE CB C 39 40.360 42.354 -1.994 1
1 519 . 12 1 1 A 39 39 ILE N N 39 131.100 129.141 1.959 1
1 520 . 12 1 1 A 40 40 SER H H 40 8.123 8.634 -0.511 1
1 521 . 12 1 1 A 40 40 SER HA H 40 3.904 4.545 -0.641 1
1 524 . 12 1 1 A 40 40 SER C C 40 177.629 175.342 2.287 1
1 525 . 12 1 1 A 40 40 SER CA C 40 58.810 57.727 1.083 1
1 526 . 12 1 1 A 40 40 SER CB C 40 63.090 64.157 -1.067 1
1 527 . 12 1 1 A 40 40 SER N N 40 118.068 120.681 -2.613 1
1 528 . 12 1 1 A 41 41 VAL H H 41 7.739 8.622 -0.883 1
1 529 . 12 1 1 A 41 41 VAL HA H 41 3.913 3.910 0.003 1
1 537 . 12 1 1 A 41 41 VAL C C 41 174.714 177.684 -2.970 1
1 538 . 12 1 1 A 41 41 VAL CA C 41 58.990 64.825 -5.835 1
1 539 . 12 1 1 A 41 41 VAL CB C 41 31.730 31.807 -0.077 1
1 542 . 12 1 1 A 41 41 VAL N N 41 124.290 127.160 -2.870 1
1 543 . 12 1 1 A 42 42 ASN H H 42 8.344 7.654 0.690 1
1 544 . 12 1 1 A 42 42 ASN HA H 42 4.630 4.491 0.139 1
1 549 . 12 1 1 A 42 42 ASN C C 42 175.699 176.301 -0.602 1
1 550 . 12 1 1 A 42 42 ASN CA C 42 54.860 56.325 -1.465 1
1 551 . 12 1 1 A 42 42 ASN CB C 42 38.610 38.093 0.517 1
1 552 . 12 1 1 A 42 42 ASN N N 42 116.715 119.060 -2.345 1
1 554 . 12 1 1 A 43 43 ASP H H 43 8.417 7.479 0.938 1
1 555 . 12 1 1 A 43 43 ASP HA H 43 5.021 4.874 0.147 1
1 558 . 12 1 1 A 43 43 ASP C C 43 175.699 176.021 -0.322 1
1 559 . 12 1 1 A 43 43 ASP CA C 43 52.300 52.944 -0.644 1
1 560 . 12 1 1 A 43 43 ASP CB C 43 39.540 38.805 0.735 1
1 561 . 12 1 1 A 43 43 ASP N N 43 125.038 119.177 5.861 1
1 562 . 12 1 1 A 44 44 GLN H H 44 7.762 8.179 -0.417 1
1 563 . 12 1 1 A 44 44 GLN HA H 44 3.815 4.080 -0.265 1
1 570 . 12 1 1 A 44 44 GLN C C 44 178.430 177.969 0.461 1
1 571 . 12 1 1 A 44 44 GLN CA C 44 59.650 58.797 0.853 1
1 572 . 12 1 1 A 44 44 GLN CB C 44 28.760 28.377 0.383 1
1 574 . 12 1 1 A 44 44 GLN N N 44 119.490 123.229 -3.739 1
1 576 . 12 1 1 A 45 45 GLU H H 45 8.705 8.374 0.331 1
1 577 . 12 1 1 A 45 45 GLU HA H 45 4.059 4.080 -0.021 1
1 582 . 12 1 1 A 45 45 GLU C C 45 178.739 178.816 -0.077 1
1 583 . 12 1 1 A 45 45 GLU CA C 45 59.660 59.368 0.292 1
1 584 . 12 1 1 A 45 45 GLU CB C 45 28.900 29.160 -0.260 1
1 586 . 12 1 1 A 45 45 GLU N N 45 119.373 118.331 1.042 1
1 587 . 12 1 1 A 46 46 LYS H H 46 7.545 7.753 -0.208 1
1 588 . 12 1 1 A 46 46 LYS HA H 46 4.119 4.177 -0.058 1
1 597 . 12 1 1 A 46 46 LYS C C 46 179.579 179.283 0.296 1
1 598 . 12 1 1 A 46 46 LYS CA C 46 58.940 59.065 -0.125 1
1 599 . 12 1 1 A 46 46 LYS CB C 46 32.750 31.842 0.908 1
1 603 . 12 1 1 A 46 46 LYS N N 46 120.645 119.891 0.754 1
1 604 . 12 1 1 A 47 47 LEU H H 47 8.005 7.842 0.163 1
1 605 . 12 1 1 A 47 47 LEU HA H 47 4.059 3.976 0.083 1
1 615 . 12 1 1 A 47 47 LEU C C 47 177.436 178.558 -1.122 1
1 616 . 12 1 1 A 47 47 LEU CA C 47 58.090 57.749 0.341 1
1 617 . 12 1 1 A 47 47 LEU CB C 47 41.150 41.814 -0.664 1
1 621 . 12 1 1 A 47 47 LEU N N 47 122.201 120.146 2.055 1
1 622 . 12 1 1 A 48 48 ALA H H 48 8.239 8.438 -0.199 1
1 623 . 12 1 1 A 48 48 ALA HA H 48 3.733 3.956 -0.223 1
1 627 . 12 1 1 A 48 48 ALA C C 48 179.347 178.540 0.807 1
1 628 . 12 1 1 A 48 48 ALA CA C 48 55.420 55.301 0.119 1
1 629 . 12 1 1 A 48 48 ALA CB C 48 18.240 18.059 0.181 1
1 630 . 12 1 1 A 48 48 ALA N N 48 121.483 122.083 -0.600 1
1 631 . 12 1 1 A 49 49 ASP H H 49 8.001 8.059 -0.058 1
1 632 . 12 1 1 A 49 49 ASP HA H 49 4.308 4.355 -0.047 1
1 635 . 12 1 1 A 49 49 ASP C C 49 179.106 178.230 0.876 1
1 636 . 12 1 1 A 49 49 ASP CA C 49 57.350 57.210 0.140 1
1 637 . 12 1 1 A 49 49 ASP CB C 49 41.250 41.392 -0.142 1
1 638 . 12 1 1 A 49 49 ASP N N 49 117.231 118.529 -1.298 1
1 639 . 12 1 1 A 50 50 PHE H H 50 8.265 8.272 -0.007 1
1 640 . 12 1 1 A 50 50 PHE HA H 50 4.101 4.086 0.015 1
1 647 . 12 1 1 A 50 50 PHE C C 50 179.048 176.597 2.451 1
1 648 . 12 1 1 A 50 50 PHE CA C 50 62.590 61.292 1.298 1
1 649 . 12 1 1 A 50 50 PHE CB C 50 39.810 39.206 0.604 1
1 651 . 12 1 1 A 50 50 PHE N N 50 122.379 120.218 2.161 1
1 652 . 12 1 1 A 51 51 LEU H H 51 8.653 7.814 0.839 1
1 653 . 12 1 1 A 51 51 LEU HA H 51 3.789 3.787 0.002 1
1 663 . 12 1 1 A 51 51 LEU C C 51 180.400 179.189 1.211 1
1 664 . 12 1 1 A 51 51 LEU CA C 51 58.140 57.200 0.940 1
1 665 . 12 1 1 A 51 51 LEU CB C 51 38.770 40.881 -2.111 1
1 669 . 12 1 1 A 51 51 LEU N N 51 120.277 119.435 0.842 1
1 670 . 12 1 1 A 52 52 SER H H 52 8.332 7.868 0.464 1
1 671 . 12 1 1 A 52 52 SER HA H 52 4.160 4.297 -0.137 1
1 674 . 12 1 1 A 52 52 SER C C 52 176.220 176.835 -0.615 1
1 675 . 12 1 1 A 52 52 SER CA C 52 61.840 60.974 0.866 1
1 676 . 12 1 1 A 52 52 SER CB C 52 62.850 63.190 -0.340 1
1 677 . 12 1 1 A 52 52 SER N N 52 115.630 114.162 1.468 1
1 678 . 12 1 1 A 53 53 GLN H H 53 7.405 7.728 -0.323 1
1 679 . 12 1 1 A 53 53 GLN HA H 53 4.092 4.013 0.079 1
1 686 . 12 1 1 A 53 53 GLN C C 53 176.046 176.682 -0.636 1
1 687 . 12 1 1 A 53 53 GLN CA C 53 56.560 58.764 -2.204 1
1 688 . 12 1 1 A 53 53 GLN CB C 53 28.580 28.514 0.066 1
1 690 . 12 1 1 A 53 53 GLN N N 53 119.056 119.993 -0.937 1
1 692 . 12 1 1 A 54 54 HIS H H 54 7.311 7.605 -0.294 1
1 693 . 12 1 1 A 54 54 HIS HA H 54 4.754 4.732 0.022 1
1 696 . 12 1 1 A 54 54 HIS C C 54 175.467 175.213 0.254 1
1 697 . 12 1 1 A 54 54 HIS CA C 54 55.562 55.359 0.203 1
1 698 . 12 1 1 A 54 54 HIS CB C 54 29.650 30.647 -0.997 1
1 699 . 12 1 1 A 54 54 HIS N N 54 117.800 113.982 3.818 1
1 700 . 12 1 1 A 55 55 LYS H H 55 7.646 8.043 -0.397 1
1 701 . 12 1 1 A 55 55 LYS HA H 55 4.296 4.304 -0.008 1
1 710 . 12 1 1 A 55 55 LYS C C 55 176.741 175.450 1.291 1
1 711 . 12 1 1 A 55 55 LYS CA C 55 58.710 58.877 -0.167 1
1 712 . 12 1 1 A 55 55 LYS CB C 55 32.370 31.627 0.743 1
1 716 . 12 1 1 A 55 55 LYS N N 55 119.903 118.091 1.812 1
1 717 . 12 1 1 A 56 56 ASP H H 56 8.853 8.290 0.563 1
1 718 . 12 1 1 A 56 56 ASP HA H 56 4.655 4.912 -0.257 1
1 721 . 12 1 1 A 56 56 ASP C C 56 175.158 174.954 0.204 1
1 722 . 12 1 1 A 56 56 ASP CA C 56 53.930 53.556 0.374 1
1 723 . 12 1 1 A 56 56 ASP CB C 56 40.220 41.042 -0.822 1
1 724 . 12 1 1 A 56 56 ASP N N 56 116.429 120.342 -3.913 1
1 725 . 12 1 1 A 57 57 LYS H H 57 7.655 8.709 -1.054 1
1 726 . 12 1 1 A 57 57 LYS HA H 57 4.701 5.055 -0.354 1
1 735 . 12 1 1 A 57 57 LYS C C 57 175.236 174.868 0.368 1
1 736 . 12 1 1 A 57 57 LYS CA C 57 53.830 54.568 -0.738 1
1 737 . 12 1 1 A 57 57 LYS CB C 57 35.550 36.022 -0.472 1
1 741 . 12 1 1 A 57 57 LYS N N 57 119.510 122.064 -2.554 1
1 742 . 12 1 1 A 58 58 LYS H H 58 8.265 8.561 -0.296 1
1 743 . 12 1 1 A 58 58 LYS HA H 58 4.745 4.774 -0.029 1
1 752 . 12 1 1 A 58 58 LYS C C 58 175.651 175.417 0.234 1
1 753 . 12 1 1 A 58 58 LYS CA C 58 56.870 56.160 0.710 1
1 754 . 12 1 1 A 58 58 LYS CB C 58 33.250 33.333 -0.083 1
1 758 . 12 1 1 A 58 58 LYS N N 58 120.091 123.124 -3.033 1
1 759 . 12 1 1 A 59 59 VAL H H 59 9.233 9.284 -0.051 1
1 760 . 12 1 1 A 59 59 VAL HA H 59 5.231 5.432 -0.201 1
1 768 . 12 1 1 A 59 59 VAL C C 59 173.556 174.314 -0.758 1
1 769 . 12 1 1 A 59 59 VAL CA C 59 60.930 61.174 -0.244 1
1 770 . 12 1 1 A 59 59 VAL CB C 59 34.300 34.647 -0.347 1
1 772 . 12 1 1 A 59 59 VAL N N 59 127.047 127.037 0.010 1
1 773 . 12 1 1 A 60 60 LEU H H 60 9.228 9.011 0.217 1
1 774 . 12 1 1 A 60 60 LEU HA H 60 4.815 5.142 -0.327 1
1 784 . 12 1 1 A 60 60 LEU C C 60 173.421 175.048 -1.627 1
1 785 . 12 1 1 A 60 60 LEU CA C 60 52.586 53.694 -1.108 1
1 786 . 12 1 1 A 60 60 LEU CB C 60 45.660 44.684 0.976 1
1 790 . 12 1 1 A 60 60 LEU N N 60 129.197 129.412 -0.215 1
1 791 . 12 1 1 A 61 61 LEU H H 61 9.055 9.147 -0.092 1
1 792 . 12 1 1 A 61 61 LEU HA H 61 5.713 4.820 0.893 1
1 802 . 12 1 1 A 61 61 LEU C C 61 176.683 176.637 0.046 1
1 803 . 12 1 1 A 61 61 LEU CA C 61 52.760 54.291 -1.531 1
1 804 . 12 1 1 A 61 61 LEU CB C 61 43.220 40.913 2.307 1
1 808 . 12 1 1 A 61 61 LEU N N 61 125.903 128.741 -2.838 1
1 809 . 12 1 1 A 62 62 HIS H H 62 9.148 8.857 0.291 1
1 810 . 12 1 1 A 62 62 HIS HA H 62 5.440 5.426 0.014 1
1 816 . 12 1 1 A 62 62 HIS C C 62 172.301 173.715 -1.414 1
1 817 . 12 1 1 A 62 62 HIS CA C 62 54.580 54.328 0.252 1
1 818 . 12 1 1 A 62 62 HIS CB C 62 33.980 31.470 2.510 1
1 821 . 12 1 1 A 62 62 HIS N N 62 119.183 122.101 -2.918 1
1 823 . 12 1 1 A 63 63 CYS H H 63 9.389 8.145 1.244 1
1 824 . 12 1 1 A 63 63 CYS HA H 63 5.021 4.700 0.321 1
1 827 . 12 1 1 A 63 63 CYS C C 63 177.649 175.379 2.270 1
1 828 . 12 1 1 A 63 63 CYS CA C 63 56.460 57.061 -0.601 1
1 829 . 12 1 1 A 63 63 CYS CB C 63 29.400 30.182 -0.782 1
1 830 . 12 1 1 A 63 63 CYS N N 63 120.896 120.256 0.640 1
1 831 . 12 1 1 A 64 64 ARG H H 64 8.658 8.942 -0.284 1
1 832 . 12 1 1 A 64 64 ARG HA H 64 4.425 3.815 0.610 1
1 839 . 12 1 1 A 64 64 ARG C C 64 174.724 178.060 -3.336 1
1 840 . 12 1 1 A 64 64 ARG CA C 64 59.000 59.923 -0.923 1
1 841 . 12 1 1 A 64 64 ARG CB C 64 30.820 30.329 0.491 1
1 844 . 12 1 1 A 64 64 ARG N N 64 130.651 126.866 3.785 1
1 845 . 12 1 1 A 65 65 ALA H H 65 8.166 7.419 0.747 1
1 846 . 12 1 1 A 65 65 ALA HA H 65 5.399 4.478 0.921 1
1 850 . 12 1 1 A 65 65 ALA C C 65 177.909 177.307 0.602 1
1 851 . 12 1 1 A 65 65 ALA CA C 65 52.020 53.364 -1.344 1
1 852 . 12 1 1 A 65 65 ALA CB C 65 20.270 20.914 -0.644 1
1 853 . 12 1 1 A 65 65 ALA N N 65 118.548 119.000 -0.452 1
1 854 . 12 1 1 A 66 66 GLY H H 66 9.300 7.655 1.645 1
1 855 . 12 1 1 A 66 66 GLY HA2 H 66 4.872 4.087 0.785 1
1 856 . 12 1 1 A 66 66 GLY HA3 H 66 4.450 4.098 0.352 1
1 857 . 12 1 1 A 66 66 GLY C C 66 176.761 174.979 1.782 1
1 858 . 12 1 1 A 66 66 GLY CA C 66 46.630 45.575 1.055 1
1 859 . 12 1 1 A 66 66 GLY N N 66 114.644 105.956 8.688 1
1 860 . 12 1 1 A 67 67 ARG H H 67 8.118 8.009 0.109 1
1 861 . 12 1 1 A 67 67 ARG HA H 67 4.141 4.077 0.064 1
1 871 . 12 1 1 A 67 67 ARG C C 67 178.691 178.748 -0.057 1
1 872 . 12 1 1 A 67 67 ARG CA C 67 60.930 58.402 2.528 1
1 873 . 12 1 1 A 67 67 ARG CB C 67 31.240 29.976 1.264 1
1 876 . 12 1 1 A 67 67 ARG N N 67 121.922 121.983 -0.061 1
1 879 . 12 1 1 A 68 68 ARG H H 68 9.366 8.116 1.250 1
1 880 . 12 1 1 A 68 68 ARG HA H 68 4.282 3.991 0.291 1
1 887 . 12 1 1 A 68 68 ARG C C 68 178.681 179.036 -0.355 1
1 888 . 12 1 1 A 68 68 ARG CA C 68 59.410 59.027 0.383 1
1 889 . 12 1 1 A 68 68 ARG CB C 68 30.760 29.736 1.024 1
1 892 . 12 1 1 A 68 68 ARG N N 68 123.821 119.283 4.538 1
1 893 . 12 1 1 A 69 69 ALA H H 69 10.112 8.090 2.022 1
1 894 . 12 1 1 A 69 69 ALA HA H 69 3.800 4.074 -0.274 1
1 898 . 12 1 1 A 69 69 ALA C C 69 178.334 179.752 -1.418 1
1 899 . 12 1 1 A 69 69 ALA CA C 69 55.960 55.225 0.735 1
1 900 . 12 1 1 A 69 69 ALA CB C 69 17.730 18.786 -1.056 1
1 901 . 12 1 1 A 69 69 ALA N N 69 125.465 122.039 3.426 1
1 902 . 12 1 1 A 70 70 LEU H H 70 7.746 7.735 0.011 1
1 903 . 12 1 1 A 70 70 LEU HA H 70 3.340 2.992 0.348 1
1 913 . 12 1 1 A 70 70 LEU C C 70 177.996 177.986 0.010 1
1 914 . 12 1 1 A 70 70 LEU CA C 70 57.950 57.492 0.458 1
1 915 . 12 1 1 A 70 70 LEU CB C 70 40.720 41.315 -0.595 1
1 919 . 12 1 1 A 70 70 LEU N N 70 118.427 119.489 -1.062 1
1 920 . 12 1 1 A 71 71 ASP H H 71 7.662 8.303 -0.641 1
1 921 . 12 1 1 A 71 71 ASP HA H 71 4.236 4.142 0.094 1
1 924 . 12 1 1 A 71 71 ASP C C 71 179.560 178.079 1.481 1
1 925 . 12 1 1 A 71 71 ASP CA C 71 57.880 57.638 0.242 1
1 926 . 12 1 1 A 71 71 ASP CB C 71 40.340 41.667 -1.327 1
1 927 . 12 1 1 A 71 71 ASP N N 71 120.180 118.707 1.473 1
1 928 . 12 1 1 A 72 72 ALA H H 72 8.796 7.965 0.831 1
1 929 . 12 1 1 A 72 72 ALA HA H 72 4.101 4.005 0.096 1
1 933 . 12 1 1 A 72 72 ALA C C 72 179.203 179.693 -0.490 1
1 934 . 12 1 1 A 72 72 ALA CA C 72 54.670 55.201 -0.531 1
1 935 . 12 1 1 A 72 72 ALA CB C 72 18.490 17.925 0.565 1
1 936 . 12 1 1 A 72 72 ALA N N 72 122.299 121.128 1.171 1
1 937 . 12 1 1 A 73 73 ALA H H 73 8.672 7.778 0.894 1
1 938 . 12 1 1 A 73 73 ALA HA H 73 3.758 4.146 -0.388 1
1 942 . 12 1 1 A 73 73 ALA C C 73 179.251 179.715 -0.464 1
1 943 . 12 1 1 A 73 73 ALA CA C 73 55.950 55.100 0.850 1
1 944 . 12 1 1 A 73 73 ALA CB C 73 17.660 17.960 -0.300 1
1 945 . 12 1 1 A 73 73 ALA N N 73 121.294 120.095 1.199 1
1 946 . 12 1 1 A 74 74 LYS H H 74 8.914 8.031 0.883 1
1 947 . 12 1 1 A 74 74 LYS HA H 74 3.790 3.826 -0.036 1
1 956 . 12 1 1 A 74 74 LYS C C 74 179.589 179.537 0.052 1
1 957 . 12 1 1 A 74 74 LYS CA C 74 60.620 59.455 1.165 1
1 958 . 12 1 1 A 74 74 LYS CB C 74 32.330 32.178 0.152 1
1 962 . 12 1 1 A 74 74 LYS N N 74 119.404 117.863 1.541 1
1 963 . 12 1 1 A 75 75 SER H H 75 7.874 8.002 -0.128 1
1 964 . 12 1 1 A 75 75 SER HA H 75 4.272 4.134 0.138 1
1 967 . 12 1 1 A 75 75 SER C C 75 176.944 176.788 0.156 1
1 968 . 12 1 1 A 75 75 SER CA C 75 61.840 61.864 -0.024 1
1 969 . 12 1 1 A 75 75 SER CB C 75 62.990 62.723 0.267 1
1 970 . 12 1 1 A 75 75 SER N N 75 114.306 116.178 -1.872 1
1 971 . 12 1 1 A 76 76 MET H H 76 8.401 7.835 0.566 1
1 972 . 12 1 1 A 76 76 MET HA H 76 4.881 4.317 0.564 1
1 980 . 12 1 1 A 76 76 MET C C 76 179.811 178.815 0.996 1
1 981 . 12 1 1 A 76 76 MET CA C 76 56.060 58.605 -2.545 1
1 982 . 12 1 1 A 76 76 MET CB C 76 34.780 33.541 1.239 1
1 985 . 12 1 1 A 76 76 MET N N 76 119.510 119.862 -0.352 1
1 986 . 12 1 1 A 77 77 HIS H H 77 9.450 8.211 1.239 1
1 987 . 12 1 1 A 77 77 HIS HA H 77 5.148 4.785 0.363 1
1 992 . 12 1 1 A 77 77 HIS C C 77 181.596 177.949 3.647 1
1 993 . 12 1 1 A 77 77 HIS CA C 77 59.550 59.268 0.282 1
1 994 . 12 1 1 A 77 77 HIS CB C 77 30.720 29.685 1.035 1
1 997 . 12 1 1 A 77 77 HIS N N 77 123.245 117.763 5.482 1
1 998 . 12 1 1 A 78 78 GLU H H 78 7.832 8.374 -0.542 1
1 999 . 12 1 1 A 78 78 GLU HA H 78 4.159 4.116 0.043 1
1 1004 . 12 1 1 A 78 78 GLU C C 78 177.909 177.953 -0.044 1
1 1005 . 12 1 1 A 78 78 GLU CA C 78 59.110 59.113 -0.003 1
1 1006 . 12 1 1 A 78 78 GLU CB C 78 29.380 29.161 0.219 1
1 1008 . 12 1 1 A 78 78 GLU N N 78 121.124 119.202 1.922 1
1 1009 . 12 1 1 A 79 79 LEU H H 79 7.161 7.264 -0.103 1
1 1010 . 12 1 1 A 79 79 LEU HA H 79 4.360 4.212 0.148 1
1 1020 . 12 1 1 A 79 79 LEU C C 79 176.934 176.710 0.224 1
1 1021 . 12 1 1 A 79 79 LEU CA C 79 54.820 54.999 -0.179 1
1 1022 . 12 1 1 A 79 79 LEU CB C 79 43.300 42.397 0.903 1
1 1026 . 12 1 1 A 79 79 LEU N N 79 116.655 118.247 -1.592 1
1 1027 . 12 1 1 A 80 80 GLY H H 80 7.545 7.655 -0.110 1
1 1028 . 12 1 1 A 80 80 GLY HA2 H 80 4.101 3.695 0.406 1
1 1029 . 12 1 1 A 80 80 GLY HA3 H 80 3.580 3.790 -0.210 1
1 1030 . 12 1 1 A 80 80 GLY C C 80 174.116 174.011 0.105 1
1 1031 . 12 1 1 A 80 80 GLY CA C 80 45.010 45.126 -0.116 1
1 1032 . 12 1 1 A 80 80 GLY N N 80 105.216 105.889 -0.673 1
1 1033 . 12 1 1 A 81 81 TYR H H 81 7.519 7.502 0.017 1
1 1034 . 12 1 1 A 81 81 TYR HA H 81 4.727 4.514 0.213 1
1 1041 . 12 1 1 A 81 81 TYR C C 81 174.377 174.914 -0.537 1
1 1042 . 12 1 1 A 81 81 TYR CA C 81 56.960 58.048 -1.088 1
1 1043 . 12 1 1 A 81 81 TYR CB C 81 40.310 39.386 0.924 1
1 1046 . 12 1 1 A 81 81 TYR N N 81 119.660 119.664 -0.004 1
1 1047 . 12 1 1 A 82 82 THR H H 82 8.786 8.789 -0.003 1
1 1048 . 12 1 1 A 82 82 THR HA H 82 3.390 3.541 -0.151 1
1 1053 . 12 1 1 A 82 82 THR CA C 82 57.030 58.307 -1.277 1
1 1054 . 12 1 1 A 82 82 THR CB C 82 68.740 68.672 0.068 1
1 1056 . 12 1 1 A 82 82 THR N N 82 105.368 113.781 -8.413 1
1 1057 . 12 1 1 A 83 83 PRO HA H 83 5.003 4.704 0.299 1
1 1064 . 12 1 1 A 83 83 PRO C C 83 175.699 177.088 -1.389 1
1 1065 . 12 1 1 A 83 83 PRO CA C 83 63.140 62.646 0.494 1
1 1066 . 12 1 1 A 83 83 PRO CB C 83 31.570 32.330 -0.760 1
1 1069 . 12 1 1 A 84 84 TYR H H 84 9.497 8.713 0.784 1
1 1070 . 12 1 1 A 84 84 TYR HA H 84 5.482 5.167 0.315 1
1 1077 . 12 1 1 A 84 84 TYR C C 84 175.506 175.477 0.029 1
1 1078 . 12 1 1 A 84 84 TYR CA C 84 57.570 57.884 -0.314 1
1 1079 . 12 1 1 A 84 84 TYR CB C 84 40.500 39.465 1.035 1
1 1082 . 12 1 1 A 84 84 TYR N N 84 119.880 121.202 -1.322 1
1 1083 . 12 1 1 A 85 85 TYR H H 85 8.570 8.477 0.093 1
1 1084 . 12 1 1 A 85 85 TYR HA H 85 5.730 5.695 0.035 1
1 1089 . 12 1 1 A 85 85 TYR C C 85 172.215 172.292 -0.077 1
1 1090 . 12 1 1 A 85 85 TYR CA C 85 55.240 56.071 -0.831 1
1 1091 . 12 1 1 A 85 85 TYR CB C 85 40.830 41.532 -0.702 1
1 1093 . 12 1 1 A 85 85 TYR N N 85 116.764 118.189 -1.425 1
1 1094 . 12 1 1 A 86 86 LEU H H 86 8.196 9.096 -0.900 1
1 1095 . 12 1 1 A 86 86 LEU HA H 86 4.881 4.965 -0.084 1
1 1105 . 12 1 1 A 86 86 LEU C C 86 177.552 174.705 2.847 1
1 1106 . 12 1 1 A 86 86 LEU CA C 86 53.376 53.828 -0.452 1
1 1107 . 12 1 1 A 86 86 LEU CB C 86 44.360 44.443 -0.083 1
1 1111 . 12 1 1 A 86 86 LEU N N 86 121.589 123.937 -2.348 1
1 1112 . 12 1 1 A 87 87 GLU H H 87 9.146 8.493 0.653 1
1 1113 . 12 1 1 A 87 87 GLU HA H 87 4.797 5.077 -0.280 1
1 1118 . 12 1 1 A 87 87 GLU C C 87 174.965 176.805 -1.840 1
1 1119 . 12 1 1 A 87 87 GLU CA C 87 55.405 55.577 -0.172 1
1 1120 . 12 1 1 A 87 87 GLU CB C 87 30.010 30.407 -0.397 1
1 1122 . 12 1 1 A 87 87 GLU N N 87 128.779 126.663 2.116 1
1 1123 . 12 1 1 A 88 88 GLY H H 88 7.349 8.250 -0.901 1
1 1124 . 12 1 1 A 88 88 GLY HA2 H 88 4.110 4.230 -0.120 1
1 1125 . 12 1 1 A 88 88 GLY HA3 H 88 4.023 4.307 -0.284 1
1 1126 . 12 1 1 A 88 88 GLY C C 88 170.593 171.951 -1.358 1
1 1127 . 12 1 1 A 88 88 GLY CA C 88 44.970 45.940 -0.970 1
1 1128 . 12 1 1 A 88 88 GLY N N 88 112.564 110.958 1.606 1
1 1129 . 12 1 1 A 89 89 ASN H H 89 8.756 8.528 0.228 1
1 1130 . 12 1 1 A 89 89 ASN HA H 89 5.722 4.994 0.728 1
1 1135 . 12 1 1 A 89 89 ASN C C 89 176.336 175.945 0.391 1
1 1136 . 12 1 1 A 89 89 ASN CA C 89 52.210 53.866 -1.656 1
1 1137 . 12 1 1 A 89 89 ASN CB C 89 40.950 38.459 2.491 1
1 1138 . 12 1 1 A 89 89 ASN N N 89 121.363 119.448 1.915 1
1 1140 . 12 1 1 A 90 90 VAL H H 90 8.928 8.292 0.636 1
1 1141 . 12 1 1 A 90 90 VAL HA H 90 4.425 1.969 2.456 1
1 1149 . 12 1 1 A 90 90 VAL C C 90 175.660 176.662 -1.002 1
1 1150 . 12 1 1 A 90 90 VAL CA C 90 58.930 63.807 -4.877 1
1 1151 . 12 1 1 A 90 90 VAL CB C 90 30.860 31.386 -0.526 1
1 1154 . 12 1 1 A 90 90 VAL N N 90 128.990 125.550 3.440 1
1 1155 . 12 1 1 A 91 91 TYR H H 91 8.330 7.504 0.826 1
1 1156 . 12 1 1 A 91 91 TYR HA H 91 4.016 4.234 -0.218 1
1 1163 . 12 1 1 A 91 91 TYR C C 91 175.718 176.596 -0.878 1
1 1164 . 12 1 1 A 91 91 TYR CA C 91 61.700 62.017 -0.317 1
1 1165 . 12 1 1 A 91 91 TYR CB C 91 36.580 37.717 -1.137 1
1 1168 . 12 1 1 A 91 91 TYR N N 91 119.510 119.098 0.412 1
1 1169 . 12 1 1 A 92 92 ASP H H 92 8.654 7.709 0.945 1
1 1170 . 12 1 1 A 92 92 ASP HA H 92 5.146 4.942 0.204 1
1 1173 . 12 1 1 A 92 92 ASP C C 92 177.224 177.277 -0.053 1
1 1174 . 12 1 1 A 92 92 ASP CA C 92 54.290 54.337 -0.047 1
1 1175 . 12 1 1 A 92 92 ASP CB C 92 42.670 41.809 0.861 1
1 1176 . 12 1 1 A 92 92 ASP N N 92 117.541 120.460 -2.919 1
1 1177 . 12 1 1 A 93 93 PHE H H 93 7.673 7.757 -0.084 1
1 1178 . 12 1 1 A 93 93 PHE HA H 93 4.688 4.442 0.246 1
1 1186 . 12 1 1 A 93 93 PHE C C 93 179.270 178.476 0.794 1
1 1187 . 12 1 1 A 93 93 PHE CA C 93 60.340 61.617 -1.277 1
1 1188 . 12 1 1 A 93 93 PHE CB C 93 36.010 38.555 -2.545 1
1 1192 . 12 1 1 A 93 93 PHE N N 93 123.205 118.000 5.205 1
1 1193 . 12 1 1 A 94 94 GLU H H 94 9.164 8.483 0.681 1
1 1194 . 12 1 1 A 94 94 GLU HA H 94 4.676 4.621 0.055 1
1 1199 . 12 1 1 A 94 94 GLU C C 94 180.805 179.161 1.644 1
1 1200 . 12 1 1 A 94 94 GLU CA C 94 59.240 59.848 -0.608 1
1 1201 . 12 1 1 A 94 94 GLU CB C 94 29.640 29.765 -0.125 1
1 1203 . 12 1 1 A 94 94 GLU N N 94 118.657 118.985 -0.328 1
1 1204 . 12 1 1 A 95 95 LYS H H 95 8.005 8.328 -0.323 1
1 1205 . 12 1 1 A 95 95 LYS HA H 95 4.103 4.222 -0.119 1
1 1214 . 12 1 1 A 95 95 LYS C C 95 177.948 177.569 0.379 1
1 1215 . 12 1 1 A 95 95 LYS CA C 95 58.680 58.540 0.140 1
1 1216 . 12 1 1 A 95 95 LYS CB C 95 31.690 31.761 -0.071 1
1 1220 . 12 1 1 A 95 95 LYS N N 95 121.494 119.177 2.317 1
1 1221 . 12 1 1 A 96 96 TYR H H 96 7.710 7.749 -0.039 1
1 1222 . 12 1 1 A 96 96 TYR HA H 96 4.332 4.664 -0.332 1
1 1229 . 12 1 1 A 96 96 TYR C C 96 174.550 175.896 -1.346 1
1 1230 . 12 1 1 A 96 96 TYR CA C 96 59.370 58.168 1.202 1
1 1231 . 12 1 1 A 96 96 TYR CB C 96 38.340 38.992 -0.652 1
1 1234 . 12 1 1 A 96 96 TYR N N 96 117.421 118.470 -1.049 1
1 1235 . 12 1 1 A 97 97 GLY H H 97 7.796 7.853 -0.057 1
1 1236 . 12 1 1 A 97 97 GLY HA2 H 97 3.966 3.815 0.151 1
1 1237 . 12 1 1 A 97 97 GLY HA3 H 97 3.580 3.969 -0.389 1
1 1238 . 12 1 1 A 97 97 GLY C C 97 173.662 173.916 -0.254 1
1 1239 . 12 1 1 A 97 97 GLY CA C 97 45.160 45.291 -0.131 1
1 1240 . 12 1 1 A 97 97 GLY N N 97 105.806 106.854 -1.048 1
1 1241 . 12 1 1 A 98 98 PHE H H 98 7.323 7.889 -0.566 1
1 1242 . 12 1 1 A 98 98 PHE HA H 98 4.644 4.962 -0.318 1
1 1250 . 12 1 1 A 98 98 PHE C C 98 173.353 175.664 -2.311 1
1 1251 . 12 1 1 A 98 98 PHE CA C 98 57.490 56.778 0.712 1
1 1252 . 12 1 1 A 98 98 PHE CB C 98 38.550 40.093 -1.543 1
1 1256 . 12 1 1 A 98 98 PHE N N 98 120.718 118.337 2.381 1
1 1257 . 12 1 1 A 99 99 ARG H H 99 7.903 8.624 -0.721 1
1 1258 . 12 1 1 A 99 99 ARG HA H 99 4.283 4.299 -0.016 1
1 1265 . 12 1 1 A 99 99 ARG C C 99 175.680 176.242 -0.562 1
1 1266 . 12 1 1 A 99 99 ARG CA C 99 56.320 56.394 -0.074 1
1 1267 . 12 1 1 A 99 99 ARG CB C 99 30.610 30.538 0.072 1
1 1270 . 12 1 1 A 99 99 ARG N N 99 122.817 124.117 -1.300 1
1 1271 . 12 1 1 A 100 100 MET H H 100 8.133 8.429 -0.296 1
1 1272 . 12 1 1 A 100 100 MET HA H 100 4.843 4.873 -0.030 1
1 1280 . 12 1 1 A 100 100 MET C C 100 175.255 174.096 1.159 1
1 1281 . 12 1 1 A 100 100 MET CA C 100 52.343 54.348 -2.005 1
1 1282 . 12 1 1 A 100 100 MET CB C 100 34.410 37.423 -3.013 1
1 1285 . 12 1 1 A 100 100 MET N N 100 121.483 119.984 1.499 1
1 1286 . 12 1 1 A 101 101 VAL H H 101 8.471 8.747 -0.276 1
1 1287 . 12 1 1 A 101 101 VAL HA H 101 3.890 4.547 -0.657 1
1 1295 . 12 1 1 A 101 101 VAL C C 101 175.351 175.099 0.252 1
1 1296 . 12 1 1 A 101 101 VAL CA C 101 61.500 61.241 0.259 1
1 1297 . 12 1 1 A 101 101 VAL CB C 101 31.730 31.955 -0.225 1
1 1300 . 12 1 1 A 101 101 VAL N N 101 119.940 121.760 -1.820 1
1 1301 . 12 1 1 A 102 102 TYR H H 102 8.612 8.981 -0.369 1
1 1302 . 12 1 1 A 102 102 TYR HA H 102 4.938 4.671 0.267 1
1 1309 . 12 1 1 A 102 102 TYR C C 102 175.892 176.383 -0.491 1
1 1310 . 12 1 1 A 102 102 TYR CA C 102 57.140 58.175 -1.035 1
1 1311 . 12 1 1 A 102 102 TYR CB C 102 40.990 39.629 1.361 1
1 1314 . 12 1 1 A 102 102 TYR N N 102 126.390 127.160 -0.770 1
1 1315 . 12 1 1 A 103 103 ASP H H 103 8.071 8.925 -0.854 1
1 1316 . 12 1 1 A 103 103 ASP HA H 103 4.621 4.384 0.237 1
1 1319 . 12 1 1 A 103 103 ASP C C 103 176.220 175.984 0.236 1
1 1320 . 12 1 1 A 103 103 ASP CA C 103 55.050 55.294 -0.244 1
1 1321 . 12 1 1 A 103 103 ASP CB C 103 40.220 40.611 -0.391 1
1 1322 . 12 1 1 A 103 103 ASP N N 103 120.738 123.328 -2.590 1
1 1323 . 12 1 1 A 104 104 ASP H H 104 8.642 7.786 0.856 1
1 1324 . 12 1 1 A 104 104 ASP HA H 104 4.730 4.697 0.033 1
1 1327 . 12 1 1 A 104 104 ASP C C 104 176.095 176.161 -0.066 1
1 1328 . 12 1 1 A 104 104 ASP CA C 104 53.510 52.767 0.743 1
1 1329 . 12 1 1 A 104 104 ASP CB C 104 41.060 39.093 1.967 1
1 1330 . 12 1 1 A 104 104 ASP N N 104 121.582 119.257 2.325 1
1 1331 . 12 1 1 A 105 105 THR H H 105 8.119 8.386 -0.267 1
1 1332 . 12 1 1 A 105 105 THR HA H 105 4.389 4.453 -0.064 1
1 1337 . 12 1 1 A 105 105 THR C C 105 173.508 173.910 -0.402 1
1 1338 . 12 1 1 A 105 105 THR CA C 105 61.580 63.863 -2.283 1
1 1339 . 12 1 1 A 105 105 THR CB C 105 69.840 70.493 -0.653 1
1 1341 . 12 1 1 A 105 105 THR N N 105 113.632 118.978 -5.346 1
1 1342 . 12 1 1 A 106 106 CYS H H 106 8.013 7.800 0.213 1
1 1343 . 12 1 1 A 106 106 CYS N N 106 129.098 117.671 11.427 1
1 1344 . 12 1 1 A 107 107 ASP HA H 107 4.606 4.601 0.005 1
1 1347 . 12 1 1 A 107 107 ASP C C 107 176.075 175.370 0.705 1
1 1348 . 12 1 1 A 107 107 ASP CA C 107 54.790 53.443 1.347 1
1 1349 . 12 1 1 A 107 107 ASP CB C 107 40.990 40.256 0.734 1
1 1350 . 12 1 1 A 108 108 LYS H H 108 8.216 7.967 0.249 1
1 1351 . 12 1 1 A 108 108 LYS HA H 108 4.326 4.420 -0.094 1
1 1360 . 12 1 1 A 108 108 LYS C C 108 176.490 176.524 -0.034 1
1 1361 . 12 1 1 A 108 108 LYS CA C 108 56.140 57.452 -1.312 1
1 1362 . 12 1 1 A 108 108 LYS CB C 108 32.910 33.377 -0.467 1
1 1366 . 12 1 1 A 108 108 LYS N N 108 121.982 125.861 -3.879 1
1 1367 . 12 1 1 A 109 109 LYS H H 109 8.411 7.924 0.487 1
1 1368 . 12 1 1 A 109 109 LYS HA H 109 4.344 4.444 -0.100 1
1 1377 . 12 1 1 A 109 109 LYS C C 109 175.583 175.277 0.306 1
1 1378 . 12 1 1 A 109 109 LYS CA C 109 56.150 56.109 0.041 1
1 1379 . 12 1 1 A 109 109 LYS CB C 109 33.050 31.500 1.550 1
1 1383 . 12 1 1 A 109 109 LYS N N 109 122.966 116.929 6.037 1
1 14 . 13 1 1 A 2 2 LEU H H 2 8.858 7.584 1.274 1
1 15 . 13 1 1 A 2 2 LEU HA H 2 4.010 4.143 -0.133 1
1 25 . 13 1 1 A 2 2 LEU C C 2 179.512 178.256 1.256 1
1 26 . 13 1 1 A 2 2 LEU CA C 2 57.230 55.664 1.566 1
1 27 . 13 1 1 A 2 2 LEU CB C 2 41.500 41.147 0.353 1
1 31 . 13 1 1 A 2 2 LEU N N 2 124.589 120.193 4.396 1
1 32 . 13 1 1 A 3 3 GLU H H 3 9.299 9.007 0.292 1
1 33 . 13 1 1 A 3 3 GLU HA H 3 4.234 4.443 -0.209 1
1 38 . 13 1 1 A 3 3 GLU C C 3 178.189 178.603 -0.414 1
1 39 . 13 1 1 A 3 3 GLU CA C 3 59.930 58.658 1.272 1
1 40 . 13 1 1 A 3 3 GLU CB C 3 28.810 28.006 0.804 1
1 42 . 13 1 1 A 3 3 GLU N N 3 118.833 122.089 -3.256 1
1 43 . 13 1 1 A 4 4 ASP H H 4 8.188 8.317 -0.129 1
1 44 . 13 1 1 A 4 4 ASP HA H 4 4.524 4.420 0.104 1
1 47 . 13 1 1 A 4 4 ASP C C 4 176.722 177.701 -0.979 1
1 48 . 13 1 1 A 4 4 ASP CA C 4 56.240 57.125 -0.885 1
1 49 . 13 1 1 A 4 4 ASP CB C 4 39.910 40.653 -0.743 1
1 50 . 13 1 1 A 4 4 ASP N N 4 118.286 121.590 -3.304 1
1 51 . 13 1 1 A 5 5 TYR H H 5 8.336 7.993 0.343 1
1 52 . 13 1 1 A 5 5 TYR HA H 5 4.284 4.593 -0.309 1
1 59 . 13 1 1 A 5 5 TYR C C 5 172.456 175.722 -3.266 1
1 60 . 13 1 1 A 5 5 TYR CA C 5 58.770 59.097 -0.327 1
1 61 . 13 1 1 A 5 5 TYR CB C 5 37.820 37.764 0.056 1
1 64 . 13 1 1 A 5 5 TYR N N 5 119.641 116.207 3.434 1
1 65 . 13 1 1 A 6 6 ALA H H 6 6.748 7.328 -0.580 1
1 66 . 13 1 1 A 6 6 ALA HA H 6 3.470 3.226 0.244 1
1 70 . 13 1 1 A 6 6 ALA C C 6 178.122 176.341 1.781 1
1 71 . 13 1 1 A 6 6 ALA CA C 6 51.440 51.382 0.058 1
1 72 . 13 1 1 A 6 6 ALA CB C 6 19.600 19.050 0.550 1
1 73 . 13 1 1 A 6 6 ALA N N 6 122.727 122.615 0.112 1
1 74 . 13 1 1 A 7 7 ILE H H 7 8.665 8.475 0.190 1
1 75 . 13 1 1 A 7 7 ILE HA H 7 4.303 4.697 -0.394 1
1 85 . 13 1 1 A 7 7 ILE C C 7 174.386 174.851 -0.465 1
1 86 . 13 1 1 A 7 7 ILE CA C 7 58.640 59.993 -1.353 1
1 87 . 13 1 1 A 7 7 ILE CB C 7 39.820 39.771 0.049 1
1 91 . 13 1 1 A 7 7 ILE N N 7 124.318 124.251 0.067 1
1 92 . 13 1 1 A 8 8 SER H H 8 8.884 8.878 0.006 1
1 93 . 13 1 1 A 8 8 SER HA H 8 4.881 4.627 0.254 1
1 96 . 13 1 1 A 8 8 SER C C 8 176.268 175.521 0.747 1
1 97 . 13 1 1 A 8 8 SER CA C 8 57.157 57.479 -0.322 1
1 98 . 13 1 1 A 8 8 SER CB C 8 64.390 65.123 -0.733 1
1 99 . 13 1 1 A 8 8 SER N N 8 122.739 122.132 0.607 1
1 100 . 13 1 1 A 9 9 LEU H H 9 8.077 8.652 -0.575 1
1 101 . 13 1 1 A 9 9 LEU HA H 9 3.652 3.846 -0.194 1
1 111 . 13 1 1 A 9 9 LEU C C 9 175.322 178.330 -3.008 1
1 112 . 13 1 1 A 9 9 LEU CA C 9 57.190 58.283 -1.093 1
1 113 . 13 1 1 A 9 9 LEU CB C 9 42.290 41.167 1.123 1
1 117 . 13 1 1 A 9 9 LEU N N 9 126.321 127.849 -1.528 1
1 118 . 13 1 1 A 10 10 GLU H H 10 8.361 9.622 -1.261 1
1 119 . 13 1 1 A 10 10 GLU HA H 10 3.754 4.317 -0.563 1
1 124 . 13 1 1 A 10 10 GLU C C 10 176.452 177.374 -0.922 1
1 125 . 13 1 1 A 10 10 GLU CA C 10 58.470 58.620 -0.150 1
1 126 . 13 1 1 A 10 10 GLU CB C 10 29.480 28.626 0.854 1
1 128 . 13 1 1 A 10 10 GLU N N 10 112.911 117.834 -4.923 1
1 129 . 13 1 1 A 11 11 GLU H H 11 7.284 8.052 -0.768 1
1 130 . 13 1 1 A 11 11 GLU HA H 11 4.531 4.480 0.051 1
1 135 . 13 1 1 A 11 11 GLU C C 11 176.539 176.464 0.075 1
1 136 . 13 1 1 A 11 11 GLU CA C 11 55.240 56.472 -1.232 1
1 137 . 13 1 1 A 11 11 GLU CB C 11 32.160 30.119 2.041 1
1 139 . 13 1 1 A 11 11 GLU N N 11 114.276 115.712 -1.436 1
1 140 . 13 1 1 A 12 12 VAL H H 12 7.077 7.052 0.025 1
1 141 . 13 1 1 A 12 12 VAL HA H 12 3.677 3.961 -0.284 1
1 149 . 13 1 1 A 12 12 VAL C C 12 173.900 175.017 -1.117 1
1 150 . 13 1 1 A 12 12 VAL CA C 12 62.510 62.143 0.367 1
1 151 . 13 1 1 A 12 12 VAL CB C 12 31.920 31.878 0.042 1
1 154 . 13 1 1 A 12 12 VAL N N 12 121.932 121.451 0.481 1
1 155 . 13 1 1 A 13 13 ASN H H 13 7.996 8.596 -0.600 1
1 156 . 13 1 1 A 13 13 ASN HA H 13 4.840 5.310 -0.470 1
1 161 . 13 1 1 A 13 13 ASN C C 13 176.876 175.323 1.553 1
1 162 . 13 1 1 A 13 13 ASN CA C 13 52.168 51.781 0.387 1
1 163 . 13 1 1 A 13 13 ASN CB C 13 38.500 39.583 -1.083 1
1 164 . 13 1 1 A 13 13 ASN N N 13 121.232 125.790 -4.558 1
1 166 . 13 1 1 A 14 14 PHE H H 14 6.268 8.172 -1.904 1
1 167 . 13 1 1 A 14 14 PHE HA H 14 3.868 4.321 -0.453 1
1 175 . 13 1 1 A 14 14 PHE C C 14 176.423 178.134 -1.711 1
1 176 . 13 1 1 A 14 14 PHE CA C 14 62.520 60.933 1.587 1
1 177 . 13 1 1 A 14 14 PHE CB C 14 38.780 38.728 0.052 1
1 181 . 13 1 1 A 14 14 PHE N N 14 120.637 122.204 -1.567 1
1 182 . 13 1 1 A 15 15 ASN H H 15 8.184 8.699 -0.515 1
1 183 . 13 1 1 A 15 15 ASN HA H 15 4.602 4.456 0.146 1
1 188 . 13 1 1 A 15 15 ASN C C 15 175.738 177.690 -1.952 1
1 189 . 13 1 1 A 15 15 ASN CA C 15 55.240 55.815 -0.575 1
1 190 . 13 1 1 A 15 15 ASN CB C 15 38.270 37.241 1.029 1
1 191 . 13 1 1 A 15 15 ASN N N 15 113.599 116.606 -3.007 1
1 193 . 13 1 1 A 16 16 ASP H H 16 7.680 7.569 0.111 1
1 194 . 13 1 1 A 16 16 ASP HA H 16 4.450 4.164 0.286 1
1 197 . 13 1 1 A 16 16 ASP C C 16 174.589 175.432 -0.843 1
1 198 . 13 1 1 A 16 16 ASP CA C 16 54.860 56.362 -1.502 1
1 199 . 13 1 1 A 16 16 ASP CB C 16 41.140 40.739 0.401 1
1 200 . 13 1 1 A 16 16 ASP N N 16 117.808 119.809 -2.001 1
1 201 . 13 1 1 A 17 17 PHE H H 17 7.648 7.476 0.172 1
1 202 . 13 1 1 A 17 17 PHE HA H 17 4.788 5.027 -0.239 1
1 210 . 13 1 1 A 17 17 PHE C C 17 175.516 175.478 0.038 1
1 211 . 13 1 1 A 17 17 PHE CA C 17 56.790 56.927 -0.137 1
1 212 . 13 1 1 A 17 17 PHE CB C 17 44.090 41.702 2.388 1
1 216 . 13 1 1 A 17 17 PHE N N 17 116.207 115.626 0.581 1
1 217 . 13 1 1 A 18 18 ILE H H 18 8.674 9.126 -0.452 1
1 218 . 13 1 1 A 18 18 ILE HA H 18 4.335 4.731 -0.396 1
1 228 . 13 1 1 A 18 18 ILE C C 18 175.612 175.645 -0.033 1
1 229 . 13 1 1 A 18 18 ILE CA C 18 60.930 61.009 -0.079 1
1 230 . 13 1 1 A 18 18 ILE CB C 18 37.620 38.066 -0.446 1
1 234 . 13 1 1 A 18 18 ILE N N 18 121.498 122.416 -0.918 1
1 235 . 13 1 1 A 19 19 VAL H H 19 9.009 8.431 0.578 1
1 236 . 13 1 1 A 19 19 VAL HA H 19 4.760 4.853 -0.093 1
1 244 . 13 1 1 A 19 19 VAL C C 19 175.622 175.407 0.215 1
1 245 . 13 1 1 A 19 19 VAL CA C 19 62.974 61.799 1.175 1
1 246 . 13 1 1 A 19 19 VAL CB C 19 32.770 32.713 0.057 1
1 249 . 13 1 1 A 19 19 VAL N N 19 129.378 128.656 0.722 1
1 250 . 13 1 1 A 20 20 VAL H H 20 9.606 8.880 0.726 1
1 251 . 13 1 1 A 20 20 VAL HA H 20 4.581 4.502 0.079 1
1 259 . 13 1 1 A 20 20 VAL C C 20 172.234 174.604 -2.370 1
1 260 . 13 1 1 A 20 20 VAL CA C 20 60.660 60.563 0.097 1
1 261 . 13 1 1 A 20 20 VAL CB C 20 33.910 35.171 -1.261 1
1 264 . 13 1 1 A 20 20 VAL N N 20 131.965 126.726 5.239 1
1 265 . 13 1 1 A 21 21 ASP H H 21 8.367 8.820 -0.453 1
1 266 . 13 1 1 A 21 21 ASP HA H 21 4.105 4.368 -0.263 1
1 269 . 13 1 1 A 21 21 ASP C C 21 176.182 175.306 0.876 1
1 270 . 13 1 1 A 21 21 ASP CA C 21 50.850 53.180 -2.330 1
1 271 . 13 1 1 A 21 21 ASP CB C 21 43.460 40.995 2.465 1
1 272 . 13 1 1 A 21 21 ASP N N 21 129.516 127.549 1.967 1
1 273 . 13 1 1 A 22 22 VAL H H 22 8.095 8.109 -0.014 1
1 274 . 13 1 1 A 22 22 VAL HA H 22 5.720 4.877 0.843 1
1 282 . 13 1 1 A 22 22 VAL C C 22 178.006 174.551 3.455 1
1 283 . 13 1 1 A 22 22 VAL CA C 22 58.990 61.233 -2.243 1
1 284 . 13 1 1 A 22 22 VAL CB C 22 30.150 31.194 -1.044 1
1 287 . 13 1 1 A 22 22 VAL N N 22 114.833 120.281 -5.448 1
1 288 . 13 1 1 A 23 23 ARG H H 23 7.467 8.032 -0.565 1
1 289 . 13 1 1 A 23 23 ARG HA H 23 4.358 4.535 -0.177 1
1 299 . 13 1 1 A 23 23 ARG C C 23 172.157 175.946 -3.789 1
1 300 . 13 1 1 A 23 23 ARG CA C 23 56.190 56.284 -0.094 1
1 301 . 13 1 1 A 23 23 ARG CB C 23 31.230 31.969 -0.739 1
1 304 . 13 1 1 A 23 23 ARG N N 23 120.418 125.373 -4.955 1
1 307 . 13 1 1 A 24 24 GLU H H 24 7.372 7.659 -0.287 1
1 308 . 13 1 1 A 24 24 GLU HA H 24 4.454 4.751 -0.297 1
1 313 . 13 1 1 A 24 24 GLU C C 24 178.807 176.408 2.399 1
1 314 . 13 1 1 A 24 24 GLU CA C 24 53.870 55.031 -1.161 1
1 315 . 13 1 1 A 24 24 GLU CB C 24 31.610 33.962 -2.352 1
1 317 . 13 1 1 A 24 24 GLU N N 24 111.001 116.460 -5.459 1
1 318 . 13 1 1 A 25 25 LEU H H 25 8.842 8.610 0.232 1
1 319 . 13 1 1 A 25 25 LEU HA H 25 3.922 3.960 -0.038 1
1 329 . 13 1 1 A 25 25 LEU C C 25 177.591 177.584 0.007 1
1 330 . 13 1 1 A 25 25 LEU CA C 25 58.800 58.483 0.317 1
1 331 . 13 1 1 A 25 25 LEU CB C 25 42.000 41.334 0.666 1
1 335 . 13 1 1 A 25 25 LEU N N 25 122.468 125.846 -3.378 1
1 336 . 13 1 1 A 26 26 ASP H H 26 8.671 8.177 0.494 1
1 337 . 13 1 1 A 26 26 ASP HA H 26 4.389 4.284 0.105 1
1 340 . 13 1 1 A 26 26 ASP C C 26 178.739 178.175 0.564 1
1 341 . 13 1 1 A 26 26 ASP CA C 26 56.540 58.065 -1.525 1
1 342 . 13 1 1 A 26 26 ASP CB C 26 39.570 42.288 -2.718 1
1 343 . 13 1 1 A 26 26 ASP N N 26 114.189 118.891 -4.702 1
1 344 . 13 1 1 A 27 27 GLU H H 27 7.235 8.404 -1.169 1
1 345 . 13 1 1 A 27 27 GLU HA H 27 4.304 4.057 0.247 1
1 350 . 13 1 1 A 27 27 GLU C C 27 177.678 178.581 -0.903 1
1 351 . 13 1 1 A 27 27 GLU CA C 27 58.830 59.320 -0.490 1
1 352 . 13 1 1 A 27 27 GLU CB C 27 30.650 29.107 1.543 1
1 354 . 13 1 1 A 27 27 GLU N N 27 120.618 117.478 3.140 1
1 355 . 13 1 1 A 28 28 TYR H H 28 7.703 7.833 -0.130 1
1 356 . 13 1 1 A 28 28 TYR HA H 28 4.149 4.009 0.140 1
1 363 . 13 1 1 A 28 28 TYR C C 28 177.108 177.896 -0.788 1
1 364 . 13 1 1 A 28 28 TYR CA C 28 60.600 61.283 -0.683 1
1 365 . 13 1 1 A 28 28 TYR CB C 28 39.300 38.609 0.691 1
1 370 . 13 1 1 A 28 28 TYR N N 28 121.871 121.561 0.310 1
1 371 . 13 1 1 A 29 29 GLU H H 29 8.727 7.931 0.796 1
1 372 . 13 1 1 A 29 29 GLU HA H 29 3.823 4.001 -0.178 1
1 377 . 13 1 1 A 29 29 GLU C C 29 177.456 178.760 -1.304 1
1 378 . 13 1 1 A 29 29 GLU CA C 29 58.770 59.804 -1.034 1
1 379 . 13 1 1 A 29 29 GLU CB C 29 29.880 29.366 0.514 1
1 381 . 13 1 1 A 29 29 GLU N N 29 116.326 118.661 -2.335 1
1 382 . 13 1 1 A 30 30 GLU H H 30 7.225 8.090 -0.865 1
1 383 . 13 1 1 A 30 30 GLU HA H 30 4.219 4.262 -0.043 1
1 388 . 13 1 1 A 30 30 GLU C C 30 177.012 176.483 0.529 1
1 389 . 13 1 1 A 30 30 GLU CA C 30 59.750 58.520 1.230 1
1 390 . 13 1 1 A 30 30 GLU CB C 30 29.310 29.514 -0.204 1
1 392 . 13 1 1 A 30 30 GLU N N 30 119.394 116.818 2.576 1
1 393 . 13 1 1 A 31 31 LEU H H 31 7.512 7.889 -0.377 1
1 394 . 13 1 1 A 31 31 LEU HA H 31 5.102 4.710 0.392 1
1 404 . 13 1 1 A 31 31 LEU C C 31 173.363 174.678 -1.315 1
1 405 . 13 1 1 A 31 31 LEU CA C 31 55.760 53.541 2.219 1
1 406 . 13 1 1 A 31 31 LEU CB C 31 42.880 44.492 -1.612 1
1 410 . 13 1 1 A 31 31 LEU N N 31 118.039 116.813 1.226 1
1 411 . 13 1 1 A 32 32 HIS H H 32 8.196 8.583 -0.387 1
1 412 . 13 1 1 A 32 32 HIS HA H 32 4.433 5.014 -0.581 1
1 417 . 13 1 1 A 32 32 HIS C C 32 171.973 172.971 -0.998 1
1 418 . 13 1 1 A 32 32 HIS CA C 32 54.660 54.240 0.420 1
1 419 . 13 1 1 A 32 32 HIS CB C 32 31.500 31.181 0.319 1
1 422 . 13 1 1 A 32 32 HIS N N 32 114.425 115.176 -0.751 1
1 423 . 13 1 1 A 33 33 LEU H H 33 10.099 8.564 1.535 1
1 424 . 13 1 1 A 33 33 LEU HA H 33 4.745 4.082 0.663 1
1 434 . 13 1 1 A 33 33 LEU CA C 33 53.423 53.251 0.172 1
1 435 . 13 1 1 A 33 33 LEU CB C 33 42.750 41.247 1.503 1
1 439 . 13 1 1 A 33 33 LEU N N 33 124.819 120.704 4.115 1
1 440 . 13 1 1 A 34 34 PRO HA H 34 4.328 4.200 0.128 1
1 447 . 13 1 1 A 34 34 PRO C C 34 177.012 177.295 -0.283 1
1 448 . 13 1 1 A 34 34 PRO CA C 34 64.440 65.140 -0.700 1
1 449 . 13 1 1 A 34 34 PRO CB C 34 31.660 31.544 0.116 1
1 452 . 13 1 1 A 35 35 ASN H H 35 8.736 8.570 0.166 1
1 453 . 13 1 1 A 35 35 ASN HA H 35 4.701 4.822 -0.121 1
1 458 . 13 1 1 A 35 35 ASN C C 35 174.801 175.317 -0.516 1
1 459 . 13 1 1 A 35 35 ASN CA C 35 53.470 52.547 0.923 1
1 460 . 13 1 1 A 35 35 ASN CB C 35 37.650 37.917 -0.267 1
1 461 . 13 1 1 A 35 35 ASN N N 35 113.231 113.624 -0.393 1
1 463 . 13 1 1 A 36 36 ALA H H 36 7.434 7.301 0.133 1
1 464 . 13 1 1 A 36 36 ALA HA H 36 4.523 4.530 -0.007 1
1 468 . 13 1 1 A 36 36 ALA C C 36 177.494 177.165 0.329 1
1 469 . 13 1 1 A 36 36 ALA CA C 36 52.700 51.386 1.314 1
1 470 . 13 1 1 A 36 36 ALA CB C 36 21.760 20.234 1.526 1
1 471 . 13 1 1 A 36 36 ALA N N 36 122.419 122.671 -0.252 1
1 472 . 13 1 1 A 37 37 THR H H 37 8.334 8.638 -0.304 1
1 473 . 13 1 1 A 37 37 THR HA H 37 4.184 4.460 -0.276 1
1 479 . 13 1 1 A 37 37 THR C C 37 172.359 173.698 -1.339 1
1 480 . 13 1 1 A 37 37 THR CA C 37 63.020 63.015 0.005 1
1 481 . 13 1 1 A 37 37 THR CB C 37 69.800 69.389 0.411 1
1 483 . 13 1 1 A 37 37 THR N N 37 121.183 119.393 1.790 1
1 484 . 13 1 1 A 38 38 LEU H H 38 8.306 8.442 -0.136 1
1 485 . 13 1 1 A 38 38 LEU HA H 38 4.815 4.461 0.354 1
1 495 . 13 1 1 A 38 38 LEU C C 38 176.529 174.830 1.699 1
1 496 . 13 1 1 A 38 38 LEU CA C 38 53.873 54.416 -0.543 1
1 497 . 13 1 1 A 38 38 LEU CB C 38 41.830 42.030 -0.200 1
1 501 . 13 1 1 A 38 38 LEU N N 38 130.981 129.640 1.341 1
1 502 . 13 1 1 A 39 39 ILE H H 39 8.612 8.044 0.568 1
1 503 . 13 1 1 A 39 39 ILE HA H 39 3.779 4.602 -0.823 1
1 513 . 13 1 1 A 39 39 ILE C C 39 172.186 174.565 -2.379 1
1 514 . 13 1 1 A 39 39 ILE CA C 39 62.040 59.678 2.362 1
1 515 . 13 1 1 A 39 39 ILE CB C 39 40.360 42.361 -2.001 1
1 519 . 13 1 1 A 39 39 ILE N N 39 131.100 129.070 2.030 1
1 520 . 13 1 1 A 40 40 SER H H 40 8.123 8.887 -0.764 1
1 521 . 13 1 1 A 40 40 SER HA H 40 3.904 4.455 -0.551 1
1 524 . 13 1 1 A 40 40 SER C C 40 177.629 175.457 2.172 1
1 525 . 13 1 1 A 40 40 SER CA C 40 58.810 58.697 0.113 1
1 526 . 13 1 1 A 40 40 SER CB C 40 63.090 63.612 -0.522 1
1 527 . 13 1 1 A 40 40 SER N N 40 118.068 122.419 -4.351 1
1 528 . 13 1 1 A 41 41 VAL H H 41 7.739 8.559 -0.820 1
1 529 . 13 1 1 A 41 41 VAL HA H 41 3.913 3.870 0.043 1
1 537 . 13 1 1 A 41 41 VAL C C 41 174.714 177.469 -2.755 1
1 538 . 13 1 1 A 41 41 VAL CA C 41 58.990 64.879 -5.889 1
1 539 . 13 1 1 A 41 41 VAL CB C 41 31.730 31.849 -0.119 1
1 542 . 13 1 1 A 41 41 VAL N N 41 124.290 127.152 -2.862 1
1 543 . 13 1 1 A 42 42 ASN H H 42 8.344 8.525 -0.181 1
1 544 . 13 1 1 A 42 42 ASN HA H 42 4.630 4.583 0.047 1
1 549 . 13 1 1 A 42 42 ASN C C 42 175.699 175.573 0.126 1
1 550 . 13 1 1 A 42 42 ASN CA C 42 54.860 54.927 -0.067 1
1 551 . 13 1 1 A 42 42 ASN CB C 42 38.610 37.563 1.047 1
1 552 . 13 1 1 A 42 42 ASN N N 42 116.715 116.406 0.309 1
1 554 . 13 1 1 A 43 43 ASP H H 43 8.417 7.336 1.081 1
1 555 . 13 1 1 A 43 43 ASP HA H 43 5.021 4.870 0.151 1
1 558 . 13 1 1 A 43 43 ASP C C 43 175.699 175.939 -0.240 1
1 559 . 13 1 1 A 43 43 ASP CA C 43 52.300 52.783 -0.483 1
1 560 . 13 1 1 A 43 43 ASP CB C 43 39.540 38.758 0.782 1
1 561 . 13 1 1 A 43 43 ASP N N 43 125.038 119.904 5.134 1
1 562 . 13 1 1 A 44 44 GLN H H 44 7.762 8.066 -0.304 1
1 563 . 13 1 1 A 44 44 GLN HA H 44 3.815 4.010 -0.195 1
1 570 . 13 1 1 A 44 44 GLN C C 44 178.430 178.217 0.213 1
1 571 . 13 1 1 A 44 44 GLN CA C 44 59.650 58.997 0.653 1
1 572 . 13 1 1 A 44 44 GLN CB C 44 28.760 28.365 0.395 1
1 574 . 13 1 1 A 44 44 GLN N N 44 119.490 123.012 -3.522 1
1 576 . 13 1 1 A 45 45 GLU H H 45 8.705 8.362 0.343 1
1 577 . 13 1 1 A 45 45 GLU HA H 45 4.059 4.044 0.015 1
1 582 . 13 1 1 A 45 45 GLU C C 45 178.739 178.883 -0.144 1
1 583 . 13 1 1 A 45 45 GLU CA C 45 59.660 59.329 0.331 1
1 584 . 13 1 1 A 45 45 GLU CB C 45 28.900 29.047 -0.147 1
1 586 . 13 1 1 A 45 45 GLU N N 45 119.373 118.858 0.515 1
1 587 . 13 1 1 A 46 46 LYS H H 46 7.545 7.710 -0.165 1
1 588 . 13 1 1 A 46 46 LYS HA H 46 4.119 4.165 -0.046 1
1 597 . 13 1 1 A 46 46 LYS C C 46 179.579 178.729 0.850 1
1 598 . 13 1 1 A 46 46 LYS CA C 46 58.940 59.119 -0.179 1
1 599 . 13 1 1 A 46 46 LYS CB C 46 32.750 31.936 0.814 1
1 603 . 13 1 1 A 46 46 LYS N N 46 120.645 119.864 0.781 1
1 604 . 13 1 1 A 47 47 LEU H H 47 8.005 7.792 0.213 1
1 605 . 13 1 1 A 47 47 LEU HA H 47 4.059 4.047 0.012 1
1 615 . 13 1 1 A 47 47 LEU C C 47 177.436 178.146 -0.710 1
1 616 . 13 1 1 A 47 47 LEU CA C 47 58.090 57.711 0.379 1
1 617 . 13 1 1 A 47 47 LEU CB C 47 41.150 41.317 -0.167 1
1 621 . 13 1 1 A 47 47 LEU N N 47 122.201 121.091 1.110 1
1 622 . 13 1 1 A 48 48 ALA H H 48 8.239 8.365 -0.126 1
1 623 . 13 1 1 A 48 48 ALA HA H 48 3.733 3.590 0.143 1
1 627 . 13 1 1 A 48 48 ALA C C 48 179.347 179.235 0.112 1
1 628 . 13 1 1 A 48 48 ALA CA C 48 55.420 54.889 0.531 1
1 629 . 13 1 1 A 48 48 ALA CB C 48 18.240 17.863 0.377 1
1 630 . 13 1 1 A 48 48 ALA N N 48 121.483 120.663 0.820 1
1 631 . 13 1 1 A 49 49 ASP H H 49 8.001 7.829 0.172 1
1 632 . 13 1 1 A 49 49 ASP HA H 49 4.308 4.305 0.003 1
1 635 . 13 1 1 A 49 49 ASP C C 49 179.106 178.190 0.916 1
1 636 . 13 1 1 A 49 49 ASP CA C 49 57.350 57.244 0.106 1
1 637 . 13 1 1 A 49 49 ASP CB C 49 41.250 41.684 -0.434 1
1 638 . 13 1 1 A 49 49 ASP N N 49 117.231 118.955 -1.724 1
1 639 . 13 1 1 A 50 50 PHE H H 50 8.265 7.947 0.318 1
1 640 . 13 1 1 A 50 50 PHE HA H 50 4.101 4.133 -0.032 1
1 647 . 13 1 1 A 50 50 PHE C C 50 179.048 176.929 2.119 1
1 648 . 13 1 1 A 50 50 PHE CA C 50 62.590 61.369 1.221 1
1 649 . 13 1 1 A 50 50 PHE CB C 50 39.810 39.262 0.548 1
1 651 . 13 1 1 A 50 50 PHE N N 50 122.379 120.268 2.111 1
1 652 . 13 1 1 A 51 51 LEU H H 51 8.653 8.388 0.265 1
1 653 . 13 1 1 A 51 51 LEU HA H 51 3.789 3.955 -0.166 1
1 663 . 13 1 1 A 51 51 LEU C C 51 180.400 179.739 0.661 1
1 664 . 13 1 1 A 51 51 LEU CA C 51 58.140 57.621 0.519 1
1 665 . 13 1 1 A 51 51 LEU CB C 51 38.770 41.244 -2.474 1
1 669 . 13 1 1 A 51 51 LEU N N 51 120.277 119.821 0.456 1
1 670 . 13 1 1 A 52 52 SER H H 52 8.332 7.993 0.339 1
1 671 . 13 1 1 A 52 52 SER HA H 52 4.160 4.306 -0.146 1
1 674 . 13 1 1 A 52 52 SER C C 52 176.220 177.129 -0.909 1
1 675 . 13 1 1 A 52 52 SER CA C 52 61.840 60.935 0.905 1
1 676 . 13 1 1 A 52 52 SER CB C 52 62.850 63.154 -0.304 1
1 677 . 13 1 1 A 52 52 SER N N 52 115.630 114.683 0.947 1
1 678 . 13 1 1 A 53 53 GLN H H 53 7.405 7.644 -0.239 1
1 679 . 13 1 1 A 53 53 GLN HA H 53 4.092 3.992 0.100 1
1 686 . 13 1 1 A 53 53 GLN C C 53 176.046 175.816 0.230 1
1 687 . 13 1 1 A 53 53 GLN CA C 53 56.560 58.590 -2.030 1
1 688 . 13 1 1 A 53 53 GLN CB C 53 28.580 28.691 -0.111 1
1 690 . 13 1 1 A 53 53 GLN N N 53 119.056 119.355 -0.299 1
1 692 . 13 1 1 A 54 54 HIS H H 54 7.311 7.584 -0.273 1
1 693 . 13 1 1 A 54 54 HIS HA H 54 4.754 4.993 -0.239 1
1 696 . 13 1 1 A 54 54 HIS C C 54 175.467 174.075 1.392 1
1 697 . 13 1 1 A 54 54 HIS CA C 54 55.562 54.556 1.006 1
1 698 . 13 1 1 A 54 54 HIS CB C 54 29.650 30.593 -0.943 1
1 699 . 13 1 1 A 54 54 HIS N N 54 117.800 114.996 2.804 1
1 700 . 13 1 1 A 55 55 LYS H H 55 7.646 8.615 -0.969 1
1 701 . 13 1 1 A 55 55 LYS HA H 55 4.296 4.468 -0.172 1
1 710 . 13 1 1 A 55 55 LYS C C 55 176.741 176.070 0.671 1
1 711 . 13 1 1 A 55 55 LYS CA C 55 58.710 56.014 2.696 1
1 712 . 13 1 1 A 55 55 LYS CB C 55 32.370 30.453 1.917 1
1 716 . 13 1 1 A 55 55 LYS N N 55 119.903 125.088 -5.185 1
1 717 . 13 1 1 A 56 56 ASP H H 56 8.853 8.218 0.635 1
1 718 . 13 1 1 A 56 56 ASP HA H 56 4.655 4.878 -0.223 1
1 721 . 13 1 1 A 56 56 ASP C C 56 175.158 176.117 -0.959 1
1 722 . 13 1 1 A 56 56 ASP CA C 56 53.930 54.690 -0.760 1
1 723 . 13 1 1 A 56 56 ASP CB C 56 40.220 43.187 -2.967 1
1 724 . 13 1 1 A 56 56 ASP N N 56 116.429 118.925 -2.496 1
1 725 . 13 1 1 A 57 57 LYS H H 57 7.655 7.561 0.094 1
1 726 . 13 1 1 A 57 57 LYS HA H 57 4.701 4.496 0.205 1
1 735 . 13 1 1 A 57 57 LYS C C 57 175.236 175.839 -0.603 1
1 736 . 13 1 1 A 57 57 LYS CA C 57 53.830 56.052 -2.222 1
1 737 . 13 1 1 A 57 57 LYS CB C 57 35.550 33.366 2.184 1
1 741 . 13 1 1 A 57 57 LYS N N 57 119.510 117.953 1.557 1
1 742 . 13 1 1 A 58 58 LYS H H 58 8.265 8.581 -0.316 1
1 743 . 13 1 1 A 58 58 LYS HA H 58 4.745 5.012 -0.267 1
1 752 . 13 1 1 A 58 58 LYS C C 58 175.651 175.747 -0.096 1
1 753 . 13 1 1 A 58 58 LYS CA C 58 56.870 55.988 0.882 1
1 754 . 13 1 1 A 58 58 LYS CB C 58 33.250 33.656 -0.406 1
1 758 . 13 1 1 A 58 58 LYS N N 58 120.091 122.506 -2.415 1
1 759 . 13 1 1 A 59 59 VAL H H 59 9.233 9.333 -0.100 1
1 760 . 13 1 1 A 59 59 VAL HA H 59 5.231 5.509 -0.278 1
1 768 . 13 1 1 A 59 59 VAL C C 59 173.556 174.215 -0.659 1
1 769 . 13 1 1 A 59 59 VAL CA C 59 60.930 61.319 -0.389 1
1 770 . 13 1 1 A 59 59 VAL CB C 59 34.300 34.937 -0.637 1
1 772 . 13 1 1 A 59 59 VAL N N 59 127.047 126.744 0.303 1
1 773 . 13 1 1 A 60 60 LEU H H 60 9.228 8.848 0.380 1
1 774 . 13 1 1 A 60 60 LEU HA H 60 4.815 5.097 -0.282 1
1 784 . 13 1 1 A 60 60 LEU C C 60 173.421 175.117 -1.696 1
1 785 . 13 1 1 A 60 60 LEU CA C 60 52.586 53.571 -0.985 1
1 786 . 13 1 1 A 60 60 LEU CB C 60 45.660 44.365 1.295 1
1 790 . 13 1 1 A 60 60 LEU N N 60 129.197 129.532 -0.335 1
1 791 . 13 1 1 A 61 61 LEU H H 61 9.055 9.096 -0.041 1
1 792 . 13 1 1 A 61 61 LEU HA H 61 5.713 4.824 0.889 1
1 802 . 13 1 1 A 61 61 LEU C C 61 176.683 176.725 -0.042 1
1 803 . 13 1 1 A 61 61 LEU CA C 61 52.760 54.353 -1.593 1
1 804 . 13 1 1 A 61 61 LEU CB C 61 43.220 40.879 2.341 1
1 808 . 13 1 1 A 61 61 LEU N N 61 125.903 128.397 -2.494 1
1 809 . 13 1 1 A 62 62 HIS H H 62 9.148 8.923 0.225 1
1 810 . 13 1 1 A 62 62 HIS HA H 62 5.440 5.523 -0.083 1
1 816 . 13 1 1 A 62 62 HIS C C 62 172.301 173.876 -1.575 1
1 817 . 13 1 1 A 62 62 HIS CA C 62 54.580 54.017 0.563 1
1 818 . 13 1 1 A 62 62 HIS CB C 62 33.980 32.070 1.910 1
1 821 . 13 1 1 A 62 62 HIS N N 62 119.183 121.893 -2.710 1
1 823 . 13 1 1 A 63 63 CYS H H 63 9.389 8.213 1.176 1
1 824 . 13 1 1 A 63 63 CYS HA H 63 5.021 4.825 0.196 1
1 827 . 13 1 1 A 63 63 CYS C C 63 177.649 175.144 2.505 1
1 828 . 13 1 1 A 63 63 CYS CA C 63 56.460 57.510 -1.050 1
1 829 . 13 1 1 A 63 63 CYS CB C 63 29.400 30.889 -1.489 1
1 830 . 13 1 1 A 63 63 CYS N N 63 120.896 118.250 2.646 1
1 831 . 13 1 1 A 64 64 ARG H H 64 8.658 8.767 -0.109 1
1 832 . 13 1 1 A 64 64 ARG HA H 64 4.425 3.876 0.549 1
1 839 . 13 1 1 A 64 64 ARG C C 64 174.724 177.552 -2.828 1
1 840 . 13 1 1 A 64 64 ARG CA C 64 59.000 59.476 -0.476 1
1 841 . 13 1 1 A 64 64 ARG CB C 64 30.820 29.929 0.891 1
1 844 . 13 1 1 A 64 64 ARG N N 64 130.651 126.086 4.565 1
1 845 . 13 1 1 A 65 65 ALA H H 65 8.166 7.524 0.642 1
1 846 . 13 1 1 A 65 65 ALA HA H 65 5.399 4.482 0.917 1
1 850 . 13 1 1 A 65 65 ALA C C 65 177.909 177.371 0.538 1
1 851 . 13 1 1 A 65 65 ALA CA C 65 52.020 53.116 -1.096 1
1 852 . 13 1 1 A 65 65 ALA CB C 65 20.270 21.252 -0.982 1
1 853 . 13 1 1 A 65 65 ALA N N 65 118.548 119.399 -0.851 1
1 854 . 13 1 1 A 66 66 GLY H H 66 9.300 7.297 2.003 1
1 855 . 13 1 1 A 66 66 GLY HA2 H 66 4.872 4.050 0.822 1
1 856 . 13 1 1 A 66 66 GLY HA3 H 66 4.450 4.059 0.391 1
1 857 . 13 1 1 A 66 66 GLY C C 66 176.761 174.866 1.895 1
1 858 . 13 1 1 A 66 66 GLY CA C 66 46.630 45.516 1.114 1
1 859 . 13 1 1 A 66 66 GLY N N 66 114.644 106.546 8.098 1
1 860 . 13 1 1 A 67 67 ARG H H 67 8.118 8.097 0.021 1
1 861 . 13 1 1 A 67 67 ARG HA H 67 4.141 3.958 0.183 1
1 871 . 13 1 1 A 67 67 ARG C C 67 178.691 178.610 0.081 1
1 872 . 13 1 1 A 67 67 ARG CA C 67 60.930 58.863 2.067 1
1 873 . 13 1 1 A 67 67 ARG CB C 67 31.240 30.009 1.231 1
1 876 . 13 1 1 A 67 67 ARG N N 67 121.922 122.203 -0.281 1
1 879 . 13 1 1 A 68 68 ARG H H 68 9.366 7.594 1.772 1
1 880 . 13 1 1 A 68 68 ARG HA H 68 4.282 4.069 0.213 1
1 887 . 13 1 1 A 68 68 ARG C C 68 178.681 179.148 -0.467 1
1 888 . 13 1 1 A 68 68 ARG CA C 68 59.410 58.841 0.569 1
1 889 . 13 1 1 A 68 68 ARG CB C 68 30.760 29.114 1.646 1
1 892 . 13 1 1 A 68 68 ARG N N 68 123.821 118.824 4.997 1
1 893 . 13 1 1 A 69 69 ALA H H 69 10.112 8.233 1.879 1
1 894 . 13 1 1 A 69 69 ALA HA H 69 3.800 4.122 -0.322 1
1 898 . 13 1 1 A 69 69 ALA C C 69 178.334 179.936 -1.602 1
1 899 . 13 1 1 A 69 69 ALA CA C 69 55.960 55.223 0.737 1
1 900 . 13 1 1 A 69 69 ALA CB C 69 17.730 18.442 -0.712 1
1 901 . 13 1 1 A 69 69 ALA N N 69 125.465 122.355 3.110 1
1 902 . 13 1 1 A 70 70 LEU H H 70 7.746 7.939 -0.193 1
1 903 . 13 1 1 A 70 70 LEU HA H 70 3.340 3.400 -0.060 1
1 913 . 13 1 1 A 70 70 LEU C C 70 177.996 178.384 -0.388 1
1 914 . 13 1 1 A 70 70 LEU CA C 70 57.950 57.387 0.563 1
1 915 . 13 1 1 A 70 70 LEU CB C 70 40.720 41.546 -0.826 1
1 919 . 13 1 1 A 70 70 LEU N N 70 118.427 119.341 -0.914 1
1 920 . 13 1 1 A 71 71 ASP H H 71 7.662 8.615 -0.953 1
1 921 . 13 1 1 A 71 71 ASP HA H 71 4.236 4.234 0.002 1
1 924 . 13 1 1 A 71 71 ASP C C 71 179.560 178.650 0.910 1
1 925 . 13 1 1 A 71 71 ASP CA C 71 57.880 57.352 0.528 1
1 926 . 13 1 1 A 71 71 ASP CB C 71 40.340 40.572 -0.232 1
1 927 . 13 1 1 A 71 71 ASP N N 71 120.180 118.312 1.868 1
1 928 . 13 1 1 A 72 72 ALA H H 72 8.796 8.024 0.772 1
1 929 . 13 1 1 A 72 72 ALA HA H 72 4.101 4.015 0.086 1
1 933 . 13 1 1 A 72 72 ALA C C 72 179.203 179.539 -0.336 1
1 934 . 13 1 1 A 72 72 ALA CA C 72 54.670 55.099 -0.429 1
1 935 . 13 1 1 A 72 72 ALA CB C 72 18.490 18.049 0.441 1
1 936 . 13 1 1 A 72 72 ALA N N 72 122.299 122.466 -0.167 1
1 937 . 13 1 1 A 73 73 ALA H H 73 8.672 7.741 0.931 1
1 938 . 13 1 1 A 73 73 ALA HA H 73 3.758 4.119 -0.361 1
1 942 . 13 1 1 A 73 73 ALA C C 73 179.251 179.506 -0.255 1
1 943 . 13 1 1 A 73 73 ALA CA C 73 55.950 55.060 0.890 1
1 944 . 13 1 1 A 73 73 ALA CB C 73 17.660 18.268 -0.608 1
1 945 . 13 1 1 A 73 73 ALA N N 73 121.294 119.847 1.447 1
1 946 . 13 1 1 A 74 74 LYS H H 74 8.914 8.139 0.775 1
1 947 . 13 1 1 A 74 74 LYS HA H 74 3.790 3.809 -0.019 1
1 956 . 13 1 1 A 74 74 LYS C C 74 179.589 179.500 0.089 1
1 957 . 13 1 1 A 74 74 LYS CA C 74 60.620 59.256 1.364 1
1 958 . 13 1 1 A 74 74 LYS CB C 74 32.330 32.252 0.078 1
1 962 . 13 1 1 A 74 74 LYS N N 74 119.404 117.800 1.604 1
1 963 . 13 1 1 A 75 75 SER H H 75 7.874 7.949 -0.075 1
1 964 . 13 1 1 A 75 75 SER HA H 75 4.272 4.092 0.180 1
1 967 . 13 1 1 A 75 75 SER C C 75 176.944 176.816 0.128 1
1 968 . 13 1 1 A 75 75 SER CA C 75 61.840 61.887 -0.047 1
1 969 . 13 1 1 A 75 75 SER CB C 75 62.990 62.668 0.322 1
1 970 . 13 1 1 A 75 75 SER N N 75 114.306 115.658 -1.352 1
1 971 . 13 1 1 A 76 76 MET H H 76 8.401 7.771 0.630 1
1 972 . 13 1 1 A 76 76 MET HA H 76 4.881 4.183 0.698 1
1 980 . 13 1 1 A 76 76 MET C C 76 179.811 178.710 1.101 1
1 981 . 13 1 1 A 76 76 MET CA C 76 56.060 58.821 -2.761 1
1 982 . 13 1 1 A 76 76 MET CB C 76 34.780 32.838 1.942 1
1 985 . 13 1 1 A 76 76 MET N N 76 119.510 119.701 -0.191 1
1 986 . 13 1 1 A 77 77 HIS H H 77 9.450 8.269 1.181 1
1 987 . 13 1 1 A 77 77 HIS HA H 77 5.148 4.820 0.328 1
1 992 . 13 1 1 A 77 77 HIS C C 77 181.596 177.845 3.751 1
1 993 . 13 1 1 A 77 77 HIS CA C 77 59.550 59.263 0.287 1
1 994 . 13 1 1 A 77 77 HIS CB C 77 30.720 29.691 1.029 1
1 997 . 13 1 1 A 77 77 HIS N N 77 123.245 117.792 5.453 1
1 998 . 13 1 1 A 78 78 GLU H H 78 7.832 8.093 -0.261 1
1 999 . 13 1 1 A 78 78 GLU HA H 78 4.159 4.109 0.050 1
1 1004 . 13 1 1 A 78 78 GLU C C 78 177.909 179.625 -1.716 1
1 1005 . 13 1 1 A 78 78 GLU CA C 78 59.110 58.915 0.195 1
1 1006 . 13 1 1 A 78 78 GLU CB C 78 29.380 29.247 0.133 1
1 1008 . 13 1 1 A 78 78 GLU N N 78 121.124 120.460 0.664 1
1 1009 . 13 1 1 A 79 79 LEU H H 79 7.161 7.488 -0.327 1
1 1010 . 13 1 1 A 79 79 LEU HA H 79 4.360 4.130 0.230 1
1 1020 . 13 1 1 A 79 79 LEU C C 79 176.934 176.567 0.367 1
1 1021 . 13 1 1 A 79 79 LEU CA C 79 54.820 56.011 -1.191 1
1 1022 . 13 1 1 A 79 79 LEU CB C 79 43.300 43.200 0.100 1
1 1026 . 13 1 1 A 79 79 LEU N N 79 116.655 118.151 -1.496 1
1 1027 . 13 1 1 A 80 80 GLY H H 80 7.545 7.562 -0.017 1
1 1028 . 13 1 1 A 80 80 GLY HA2 H 80 4.101 3.872 0.229 1
1 1029 . 13 1 1 A 80 80 GLY HA3 H 80 3.580 3.957 -0.377 1
1 1030 . 13 1 1 A 80 80 GLY C C 80 174.116 174.439 -0.323 1
1 1031 . 13 1 1 A 80 80 GLY CA C 80 45.010 45.117 -0.107 1
1 1032 . 13 1 1 A 80 80 GLY N N 80 105.216 105.163 0.053 1
1 1033 . 13 1 1 A 81 81 TYR H H 81 7.519 7.793 -0.274 1
1 1034 . 13 1 1 A 81 81 TYR HA H 81 4.727 4.482 0.245 1
1 1041 . 13 1 1 A 81 81 TYR C C 81 174.377 175.143 -0.766 1
1 1042 . 13 1 1 A 81 81 TYR CA C 81 56.960 58.200 -1.240 1
1 1043 . 13 1 1 A 81 81 TYR CB C 81 40.310 39.057 1.253 1
1 1046 . 13 1 1 A 81 81 TYR N N 81 119.660 120.166 -0.506 1
1 1047 . 13 1 1 A 82 82 THR H H 82 8.786 8.749 0.037 1
1 1048 . 13 1 1 A 82 82 THR HA H 82 3.390 3.526 -0.136 1
1 1053 . 13 1 1 A 82 82 THR CA C 82 57.030 58.356 -1.326 1
1 1054 . 13 1 1 A 82 82 THR CB C 82 68.740 68.667 0.073 1
1 1056 . 13 1 1 A 82 82 THR N N 82 105.368 113.629 -8.261 1
1 1057 . 13 1 1 A 83 83 PRO HA H 83 5.003 4.752 0.251 1
1 1064 . 13 1 1 A 83 83 PRO C C 83 175.699 176.481 -0.782 1
1 1065 . 13 1 1 A 83 83 PRO CA C 83 63.140 62.417 0.723 1
1 1066 . 13 1 1 A 83 83 PRO CB C 83 31.570 32.261 -0.691 1
1 1069 . 13 1 1 A 84 84 TYR H H 84 9.497 8.663 0.834 1
1 1070 . 13 1 1 A 84 84 TYR HA H 84 5.482 5.198 0.284 1
1 1077 . 13 1 1 A 84 84 TYR C C 84 175.506 175.375 0.131 1
1 1078 . 13 1 1 A 84 84 TYR CA C 84 57.570 57.878 -0.308 1
1 1079 . 13 1 1 A 84 84 TYR CB C 84 40.500 39.306 1.194 1
1 1082 . 13 1 1 A 84 84 TYR N N 84 119.880 120.495 -0.615 1
1 1083 . 13 1 1 A 85 85 TYR H H 85 8.570 8.351 0.219 1
1 1084 . 13 1 1 A 85 85 TYR HA H 85 5.730 5.649 0.081 1
1 1089 . 13 1 1 A 85 85 TYR C C 85 172.215 172.329 -0.114 1
1 1090 . 13 1 1 A 85 85 TYR CA C 85 55.240 56.110 -0.870 1
1 1091 . 13 1 1 A 85 85 TYR CB C 85 40.830 41.310 -0.480 1
1 1093 . 13 1 1 A 85 85 TYR N N 85 116.764 118.127 -1.363 1
1 1094 . 13 1 1 A 86 86 LEU H H 86 8.196 9.039 -0.843 1
1 1095 . 13 1 1 A 86 86 LEU HA H 86 4.881 5.059 -0.178 1
1 1105 . 13 1 1 A 86 86 LEU C C 86 177.552 174.828 2.724 1
1 1106 . 13 1 1 A 86 86 LEU CA C 86 53.376 53.743 -0.367 1
1 1107 . 13 1 1 A 86 86 LEU CB C 86 44.360 44.653 -0.293 1
1 1111 . 13 1 1 A 86 86 LEU N N 86 121.589 124.019 -2.430 1
1 1112 . 13 1 1 A 87 87 GLU H H 87 9.146 8.712 0.434 1
1 1113 . 13 1 1 A 87 87 GLU HA H 87 4.797 4.838 -0.041 1
1 1118 . 13 1 1 A 87 87 GLU C C 87 174.965 176.468 -1.503 1
1 1119 . 13 1 1 A 87 87 GLU CA C 87 55.405 56.008 -0.603 1
1 1120 . 13 1 1 A 87 87 GLU CB C 87 30.010 30.350 -0.340 1
1 1122 . 13 1 1 A 87 87 GLU N N 87 128.779 126.633 2.146 1
1 1123 . 13 1 1 A 88 88 GLY H H 88 7.349 8.009 -0.660 1
1 1124 . 13 1 1 A 88 88 GLY HA2 H 88 4.110 4.250 -0.140 1
1 1125 . 13 1 1 A 88 88 GLY HA3 H 88 4.023 4.335 -0.312 1
1 1126 . 13 1 1 A 88 88 GLY C C 88 170.593 171.908 -1.315 1
1 1127 . 13 1 1 A 88 88 GLY CA C 88 44.970 45.877 -0.907 1
1 1128 . 13 1 1 A 88 88 GLY N N 88 112.564 110.933 1.631 1
1 1129 . 13 1 1 A 89 89 ASN H H 89 8.756 8.799 -0.043 1
1 1130 . 13 1 1 A 89 89 ASN HA H 89 5.722 5.339 0.383 1
1 1135 . 13 1 1 A 89 89 ASN C C 89 176.336 175.997 0.339 1
1 1136 . 13 1 1 A 89 89 ASN CA C 89 52.210 53.361 -1.151 1
1 1137 . 13 1 1 A 89 89 ASN CB C 89 40.950 38.449 2.501 1
1 1138 . 13 1 1 A 89 89 ASN N N 89 121.363 119.321 2.042 1
1 1140 . 13 1 1 A 90 90 VAL H H 90 8.928 8.087 0.841 1
1 1141 . 13 1 1 A 90 90 VAL HA H 90 4.425 1.879 2.546 1
1 1149 . 13 1 1 A 90 90 VAL C C 90 175.660 176.580 -0.920 1
1 1150 . 13 1 1 A 90 90 VAL CA C 90 58.930 64.061 -5.131 1
1 1151 . 13 1 1 A 90 90 VAL CB C 90 30.860 31.371 -0.511 1
1 1154 . 13 1 1 A 90 90 VAL N N 90 128.990 125.320 3.670 1
1 1155 . 13 1 1 A 91 91 TYR H H 91 8.330 7.594 0.736 1
1 1156 . 13 1 1 A 91 91 TYR HA H 91 4.016 4.220 -0.204 1
1 1163 . 13 1 1 A 91 91 TYR C C 91 175.718 177.561 -1.843 1
1 1164 . 13 1 1 A 91 91 TYR CA C 91 61.700 61.567 0.133 1
1 1165 . 13 1 1 A 91 91 TYR CB C 91 36.580 37.566 -0.986 1
1 1168 . 13 1 1 A 91 91 TYR N N 91 119.510 119.817 -0.307 1
1 1169 . 13 1 1 A 92 92 ASP H H 92 8.654 7.854 0.800 1
1 1170 . 13 1 1 A 92 92 ASP HA H 92 5.146 4.794 0.352 1
1 1173 . 13 1 1 A 92 92 ASP C C 92 177.224 178.538 -1.314 1
1 1174 . 13 1 1 A 92 92 ASP CA C 92 54.290 55.828 -1.538 1
1 1175 . 13 1 1 A 92 92 ASP CB C 92 42.670 40.849 1.821 1
1 1176 . 13 1 1 A 92 92 ASP N N 92 117.541 120.087 -2.546 1
1 1177 . 13 1 1 A 93 93 PHE H H 93 7.673 7.299 0.374 1
1 1178 . 13 1 1 A 93 93 PHE HA H 93 4.688 4.477 0.211 1
1 1186 . 13 1 1 A 93 93 PHE C C 93 179.270 178.505 0.765 1
1 1187 . 13 1 1 A 93 93 PHE CA C 93 60.340 61.877 -1.537 1
1 1188 . 13 1 1 A 93 93 PHE CB C 93 36.010 38.539 -2.529 1
1 1192 . 13 1 1 A 93 93 PHE N N 93 123.205 117.820 5.385 1
1 1193 . 13 1 1 A 94 94 GLU H H 94 9.164 8.645 0.519 1
1 1194 . 13 1 1 A 94 94 GLU HA H 94 4.676 4.385 0.291 1
1 1199 . 13 1 1 A 94 94 GLU C C 94 180.805 179.195 1.610 1
1 1200 . 13 1 1 A 94 94 GLU CA C 94 59.240 60.141 -0.901 1
1 1201 . 13 1 1 A 94 94 GLU CB C 94 29.640 29.305 0.335 1
1 1203 . 13 1 1 A 94 94 GLU N N 94 118.657 119.682 -1.025 1
1 1204 . 13 1 1 A 95 95 LYS H H 95 8.005 8.391 -0.386 1
1 1205 . 13 1 1 A 95 95 LYS HA H 95 4.103 4.241 -0.138 1
1 1214 . 13 1 1 A 95 95 LYS C C 95 177.948 177.769 0.179 1
1 1215 . 13 1 1 A 95 95 LYS CA C 95 58.680 58.817 -0.137 1
1 1216 . 13 1 1 A 95 95 LYS CB C 95 31.690 31.785 -0.095 1
1 1220 . 13 1 1 A 95 95 LYS N N 95 121.494 119.039 2.455 1
1 1221 . 13 1 1 A 96 96 TYR H H 96 7.710 7.917 -0.207 1
1 1222 . 13 1 1 A 96 96 TYR HA H 96 4.332 4.668 -0.336 1
1 1229 . 13 1 1 A 96 96 TYR C C 96 174.550 175.735 -1.185 1
1 1230 . 13 1 1 A 96 96 TYR CA C 96 59.370 58.192 1.178 1
1 1231 . 13 1 1 A 96 96 TYR CB C 96 38.340 38.939 -0.599 1
1 1234 . 13 1 1 A 96 96 TYR N N 96 117.421 118.598 -1.177 1
1 1235 . 13 1 1 A 97 97 GLY H H 97 7.796 7.863 -0.067 1
1 1236 . 13 1 1 A 97 97 GLY HA2 H 97 3.966 3.867 0.099 1
1 1237 . 13 1 1 A 97 97 GLY HA3 H 97 3.580 3.979 -0.399 1
1 1238 . 13 1 1 A 97 97 GLY C C 97 173.662 174.490 -0.828 1
1 1239 . 13 1 1 A 97 97 GLY CA C 97 45.160 45.052 0.108 1
1 1240 . 13 1 1 A 97 97 GLY N N 97 105.806 107.317 -1.511 1
1 1241 . 13 1 1 A 98 98 PHE H H 98 7.323 7.950 -0.627 1
1 1242 . 13 1 1 A 98 98 PHE HA H 98 4.644 4.488 0.156 1
1 1250 . 13 1 1 A 98 98 PHE C C 98 173.353 175.202 -1.849 1
1 1251 . 13 1 1 A 98 98 PHE CA C 98 57.490 58.782 -1.292 1
1 1252 . 13 1 1 A 98 98 PHE CB C 98 38.550 39.477 -0.927 1
1 1256 . 13 1 1 A 98 98 PHE N N 98 120.718 119.201 1.517 1
1 1257 . 13 1 1 A 99 99 ARG H H 99 7.903 8.782 -0.879 1
1 1258 . 13 1 1 A 99 99 ARG HA H 99 4.283 4.344 -0.061 1
1 1265 . 13 1 1 A 99 99 ARG C C 99 175.680 175.103 0.577 1
1 1266 . 13 1 1 A 99 99 ARG CA C 99 56.320 57.057 -0.737 1
1 1267 . 13 1 1 A 99 99 ARG CB C 99 30.610 30.961 -0.351 1
1 1270 . 13 1 1 A 99 99 ARG N N 99 122.817 125.411 -2.594 1
1 1271 . 13 1 1 A 100 100 MET H H 100 8.133 9.024 -0.891 1
1 1272 . 13 1 1 A 100 100 MET HA H 100 4.843 4.958 -0.115 1
1 1280 . 13 1 1 A 100 100 MET C C 100 175.255 174.341 0.914 1
1 1281 . 13 1 1 A 100 100 MET CA C 100 52.343 54.531 -2.188 1
1 1282 . 13 1 1 A 100 100 MET CB C 100 34.410 36.848 -2.438 1
1 1285 . 13 1 1 A 100 100 MET N N 100 121.483 126.002 -4.519 1
1 1286 . 13 1 1 A 101 101 VAL H H 101 8.471 8.646 -0.175 1
1 1287 . 13 1 1 A 101 101 VAL HA H 101 3.890 4.545 -0.655 1
1 1295 . 13 1 1 A 101 101 VAL C C 101 175.351 174.889 0.462 1
1 1296 . 13 1 1 A 101 101 VAL CA C 101 61.500 61.518 -0.018 1
1 1297 . 13 1 1 A 101 101 VAL CB C 101 31.730 31.872 -0.142 1
1 1300 . 13 1 1 A 101 101 VAL N N 101 119.940 123.992 -4.052 1
1 1301 . 13 1 1 A 102 102 TYR H H 102 8.612 8.949 -0.337 1
1 1302 . 13 1 1 A 102 102 TYR HA H 102 4.938 5.063 -0.125 1
1 1309 . 13 1 1 A 102 102 TYR C C 102 175.892 175.858 0.034 1
1 1310 . 13 1 1 A 102 102 TYR CA C 102 57.140 57.342 -0.202 1
1 1311 . 13 1 1 A 102 102 TYR CB C 102 40.990 40.970 0.020 1
1 1314 . 13 1 1 A 102 102 TYR N N 102 126.390 126.089 0.301 1
1 1315 . 13 1 1 A 103 103 ASP H H 103 8.071 8.916 -0.845 1
1 1316 . 13 1 1 A 103 103 ASP HA H 103 4.621 4.430 0.191 1
1 1319 . 13 1 1 A 103 103 ASP C C 103 176.220 176.093 0.127 1
1 1320 . 13 1 1 A 103 103 ASP CA C 103 55.050 54.898 0.152 1
1 1321 . 13 1 1 A 103 103 ASP CB C 103 40.220 40.457 -0.237 1
1 1322 . 13 1 1 A 103 103 ASP N N 103 120.738 123.024 -2.286 1
1 1323 . 13 1 1 A 104 104 ASP H H 104 8.642 7.802 0.840 1
1 1324 . 13 1 1 A 104 104 ASP HA H 104 4.730 4.633 0.097 1
1 1327 . 13 1 1 A 104 104 ASP C C 104 176.095 175.947 0.148 1
1 1328 . 13 1 1 A 104 104 ASP CA C 104 53.510 54.994 -1.484 1
1 1329 . 13 1 1 A 104 104 ASP CB C 104 41.060 40.963 0.097 1
1 1330 . 13 1 1 A 104 104 ASP N N 104 121.582 117.516 4.066 1
1 1331 . 13 1 1 A 105 105 THR H H 105 8.119 7.218 0.901 1
1 1332 . 13 1 1 A 105 105 THR HA H 105 4.389 4.219 0.170 1
1 1337 . 13 1 1 A 105 105 THR C C 105 173.508 174.679 -1.171 1
1 1338 . 13 1 1 A 105 105 THR CA C 105 61.580 62.535 -0.955 1
1 1339 . 13 1 1 A 105 105 THR CB C 105 69.840 69.278 0.562 1
1 1341 . 13 1 1 A 105 105 THR N N 105 113.632 112.377 1.255 1
1 1342 . 13 1 1 A 106 106 CYS H H 106 8.013 8.731 -0.718 1
1 1343 . 13 1 1 A 106 106 CYS N N 106 129.098 123.962 5.136 1
1 1344 . 13 1 1 A 107 107 ASP HA H 107 4.606 4.713 -0.107 1
1 1347 . 13 1 1 A 107 107 ASP C C 107 176.075 177.028 -0.953 1
1 1348 . 13 1 1 A 107 107 ASP CA C 107 54.790 53.485 1.305 1
1 1349 . 13 1 1 A 107 107 ASP CB C 107 40.990 42.755 -1.765 1
1 1350 . 13 1 1 A 108 108 LYS H H 108 8.216 8.621 -0.405 1
1 1351 . 13 1 1 A 108 108 LYS HA H 108 4.326 4.454 -0.128 1
1 1360 . 13 1 1 A 108 108 LYS C C 108 176.490 176.631 -0.141 1
1 1361 . 13 1 1 A 108 108 LYS CA C 108 56.140 57.265 -1.125 1
1 1362 . 13 1 1 A 108 108 LYS CB C 108 32.910 33.786 -0.876 1
1 1366 . 13 1 1 A 108 108 LYS N N 108 121.982 121.643 0.339 1
1 1367 . 13 1 1 A 109 109 LYS H H 109 8.411 7.184 1.227 1
1 1368 . 13 1 1 A 109 109 LYS HA H 109 4.344 4.440 -0.096 1
1 1377 . 13 1 1 A 109 109 LYS C C 109 175.583 175.809 -0.226 1
1 1378 . 13 1 1 A 109 109 LYS CA C 109 56.150 55.591 0.559 1
1 1379 . 13 1 1 A 109 109 LYS CB C 109 33.050 32.142 0.908 1
1 1383 . 13 1 1 A 109 109 LYS N N 109 122.966 121.139 1.827 1
1 14 . 14 1 1 A 2 2 LEU H H 2 8.858 7.752 1.106 1
1 15 . 14 1 1 A 2 2 LEU HA H 2 4.010 4.074 -0.064 1
1 25 . 14 1 1 A 2 2 LEU C C 2 179.512 178.458 1.054 1
1 26 . 14 1 1 A 2 2 LEU CA C 2 57.230 57.105 0.125 1
1 27 . 14 1 1 A 2 2 LEU CB C 2 41.500 40.955 0.545 1
1 31 . 14 1 1 A 2 2 LEU N N 2 124.589 115.579 9.010 1
1 32 . 14 1 1 A 3 3 GLU H H 3 9.299 9.049 0.250 1
1 33 . 14 1 1 A 3 3 GLU HA H 3 4.234 4.624 -0.390 1
1 38 . 14 1 1 A 3 3 GLU C C 3 178.189 177.835 0.354 1
1 39 . 14 1 1 A 3 3 GLU CA C 3 59.930 58.483 1.447 1
1 40 . 14 1 1 A 3 3 GLU CB C 3 28.810 27.942 0.868 1
1 42 . 14 1 1 A 3 3 GLU N N 3 118.833 121.990 -3.157 1
1 43 . 14 1 1 A 4 4 ASP H H 4 8.188 8.149 0.039 1
1 44 . 14 1 1 A 4 4 ASP HA H 4 4.524 4.529 -0.005 1
1 47 . 14 1 1 A 4 4 ASP C C 4 176.722 177.591 -0.869 1
1 48 . 14 1 1 A 4 4 ASP CA C 4 56.240 56.884 -0.644 1
1 49 . 14 1 1 A 4 4 ASP CB C 4 39.910 40.962 -1.052 1
1 50 . 14 1 1 A 4 4 ASP N N 4 118.286 120.211 -1.925 1
1 51 . 14 1 1 A 5 5 TYR H H 5 8.336 7.801 0.535 1
1 52 . 14 1 1 A 5 5 TYR HA H 5 4.284 4.566 -0.282 1
1 59 . 14 1 1 A 5 5 TYR C C 5 172.456 175.755 -3.299 1
1 60 . 14 1 1 A 5 5 TYR CA C 5 58.770 58.927 -0.157 1
1 61 . 14 1 1 A 5 5 TYR CB C 5 37.820 37.950 -0.130 1
1 64 . 14 1 1 A 5 5 TYR N N 5 119.641 116.187 3.454 1
1 65 . 14 1 1 A 6 6 ALA H H 6 6.748 7.294 -0.546 1
1 66 . 14 1 1 A 6 6 ALA HA H 6 3.470 3.193 0.277 1
1 70 . 14 1 1 A 6 6 ALA C C 6 178.122 176.838 1.284 1
1 71 . 14 1 1 A 6 6 ALA CA C 6 51.440 52.453 -1.013 1
1 72 . 14 1 1 A 6 6 ALA CB C 6 19.600 18.974 0.626 1
1 73 . 14 1 1 A 6 6 ALA N N 6 122.727 122.266 0.461 1
1 74 . 14 1 1 A 7 7 ILE H H 7 8.665 8.292 0.373 1
1 75 . 14 1 1 A 7 7 ILE HA H 7 4.303 4.695 -0.392 1
1 85 . 14 1 1 A 7 7 ILE C C 7 174.386 174.662 -0.276 1
1 86 . 14 1 1 A 7 7 ILE CA C 7 58.640 59.750 -1.110 1
1 87 . 14 1 1 A 7 7 ILE CB C 7 39.820 40.997 -1.177 1
1 91 . 14 1 1 A 7 7 ILE N N 7 124.318 123.421 0.897 1
1 92 . 14 1 1 A 8 8 SER H H 8 8.884 8.702 0.182 1
1 93 . 14 1 1 A 8 8 SER HA H 8 4.881 4.623 0.258 1
1 96 . 14 1 1 A 8 8 SER C C 8 176.268 175.562 0.706 1
1 97 . 14 1 1 A 8 8 SER CA C 8 57.157 58.164 -1.007 1
1 98 . 14 1 1 A 8 8 SER CB C 8 64.390 64.354 0.036 1
1 99 . 14 1 1 A 8 8 SER N N 8 122.739 122.639 0.100 1
1 100 . 14 1 1 A 9 9 LEU H H 9 8.077 8.690 -0.613 1
1 101 . 14 1 1 A 9 9 LEU HA H 9 3.652 4.035 -0.383 1
1 111 . 14 1 1 A 9 9 LEU C C 9 175.322 178.406 -3.084 1
1 112 . 14 1 1 A 9 9 LEU CA C 9 57.190 57.865 -0.675 1
1 113 . 14 1 1 A 9 9 LEU CB C 9 42.290 41.721 0.569 1
1 117 . 14 1 1 A 9 9 LEU N N 9 126.321 127.983 -1.662 1
1 118 . 14 1 1 A 10 10 GLU H H 10 8.361 9.552 -1.191 1
1 119 . 14 1 1 A 10 10 GLU HA H 10 3.754 4.469 -0.715 1
1 124 . 14 1 1 A 10 10 GLU C C 10 176.452 177.380 -0.928 1
1 125 . 14 1 1 A 10 10 GLU CA C 10 58.470 58.375 0.095 1
1 126 . 14 1 1 A 10 10 GLU CB C 10 29.480 28.239 1.241 1
1 128 . 14 1 1 A 10 10 GLU N N 10 112.911 117.101 -4.190 1
1 129 . 14 1 1 A 11 11 GLU H H 11 7.284 8.039 -0.755 1
1 130 . 14 1 1 A 11 11 GLU HA H 11 4.531 4.511 0.020 1
1 135 . 14 1 1 A 11 11 GLU C C 11 176.539 176.194 0.345 1
1 136 . 14 1 1 A 11 11 GLU CA C 11 55.240 56.256 -1.016 1
1 137 . 14 1 1 A 11 11 GLU CB C 11 32.160 29.990 2.170 1
1 139 . 14 1 1 A 11 11 GLU N N 11 114.276 116.170 -1.894 1
1 140 . 14 1 1 A 12 12 VAL H H 12 7.077 7.428 -0.351 1
1 141 . 14 1 1 A 12 12 VAL HA H 12 3.677 4.032 -0.355 1
1 149 . 14 1 1 A 12 12 VAL C C 12 173.900 174.783 -0.883 1
1 150 . 14 1 1 A 12 12 VAL CA C 12 62.510 61.633 0.877 1
1 151 . 14 1 1 A 12 12 VAL CB C 12 31.920 32.608 -0.688 1
1 154 . 14 1 1 A 12 12 VAL N N 12 121.932 121.222 0.710 1
1 155 . 14 1 1 A 13 13 ASN H H 13 7.996 8.794 -0.798 1
1 156 . 14 1 1 A 13 13 ASN HA H 13 4.840 5.440 -0.600 1
1 161 . 14 1 1 A 13 13 ASN C C 13 176.876 175.223 1.653 1
1 162 . 14 1 1 A 13 13 ASN CA C 13 52.168 51.975 0.193 1
1 163 . 14 1 1 A 13 13 ASN CB C 13 38.500 39.790 -1.290 1
1 164 . 14 1 1 A 13 13 ASN N N 13 121.232 124.872 -3.640 1
1 166 . 14 1 1 A 14 14 PHE H H 14 6.268 7.796 -1.528 1
1 167 . 14 1 1 A 14 14 PHE HA H 14 3.868 4.197 -0.329 1
1 175 . 14 1 1 A 14 14 PHE C C 14 176.423 178.039 -1.616 1
1 176 . 14 1 1 A 14 14 PHE CA C 14 62.520 60.416 2.104 1
1 177 . 14 1 1 A 14 14 PHE CB C 14 38.780 38.536 0.244 1
1 181 . 14 1 1 A 14 14 PHE N N 14 120.637 121.829 -1.192 1
1 182 . 14 1 1 A 15 15 ASN H H 15 8.184 8.661 -0.477 1
1 183 . 14 1 1 A 15 15 ASN HA H 15 4.602 4.450 0.152 1
1 188 . 14 1 1 A 15 15 ASN C C 15 175.738 177.484 -1.746 1
1 189 . 14 1 1 A 15 15 ASN CA C 15 55.240 55.724 -0.484 1
1 190 . 14 1 1 A 15 15 ASN CB C 15 38.270 37.279 0.991 1
1 191 . 14 1 1 A 15 15 ASN N N 15 113.599 116.221 -2.622 1
1 193 . 14 1 1 A 16 16 ASP H H 16 7.680 7.542 0.138 1
1 194 . 14 1 1 A 16 16 ASP HA H 16 4.450 4.198 0.252 1
1 197 . 14 1 1 A 16 16 ASP C C 16 174.589 175.346 -0.757 1
1 198 . 14 1 1 A 16 16 ASP CA C 16 54.860 55.990 -1.130 1
1 199 . 14 1 1 A 16 16 ASP CB C 16 41.140 40.828 0.312 1
1 200 . 14 1 1 A 16 16 ASP N N 16 117.808 119.587 -1.779 1
1 201 . 14 1 1 A 17 17 PHE H H 17 7.648 7.254 0.394 1
1 202 . 14 1 1 A 17 17 PHE HA H 17 4.788 5.044 -0.256 1
1 210 . 14 1 1 A 17 17 PHE C C 17 175.516 175.747 -0.231 1
1 211 . 14 1 1 A 17 17 PHE CA C 17 56.790 56.693 0.097 1
1 212 . 14 1 1 A 17 17 PHE CB C 17 44.090 41.546 2.544 1
1 216 . 14 1 1 A 17 17 PHE N N 17 116.207 115.715 0.492 1
1 217 . 14 1 1 A 18 18 ILE H H 18 8.674 9.170 -0.496 1
1 218 . 14 1 1 A 18 18 ILE HA H 18 4.335 4.476 -0.141 1
1 228 . 14 1 1 A 18 18 ILE C C 18 175.612 176.017 -0.405 1
1 229 . 14 1 1 A 18 18 ILE CA C 18 60.930 61.429 -0.499 1
1 230 . 14 1 1 A 18 18 ILE CB C 18 37.620 37.523 0.097 1
1 234 . 14 1 1 A 18 18 ILE N N 18 121.498 123.203 -1.705 1
1 235 . 14 1 1 A 19 19 VAL H H 19 9.009 8.270 0.739 1
1 236 . 14 1 1 A 19 19 VAL HA H 19 4.760 4.855 -0.095 1
1 244 . 14 1 1 A 19 19 VAL C C 19 175.622 175.389 0.233 1
1 245 . 14 1 1 A 19 19 VAL CA C 19 62.974 61.815 1.159 1
1 246 . 14 1 1 A 19 19 VAL CB C 19 32.770 32.577 0.193 1
1 249 . 14 1 1 A 19 19 VAL N N 19 129.378 128.661 0.717 1
1 250 . 14 1 1 A 20 20 VAL H H 20 9.606 8.793 0.813 1
1 251 . 14 1 1 A 20 20 VAL HA H 20 4.581 4.529 0.052 1
1 259 . 14 1 1 A 20 20 VAL C C 20 172.234 174.549 -2.315 1
1 260 . 14 1 1 A 20 20 VAL CA C 20 60.660 60.746 -0.086 1
1 261 . 14 1 1 A 20 20 VAL CB C 20 33.910 35.227 -1.317 1
1 264 . 14 1 1 A 20 20 VAL N N 20 131.965 126.369 5.596 1
1 265 . 14 1 1 A 21 21 ASP H H 21 8.367 8.867 -0.500 1
1 266 . 14 1 1 A 21 21 ASP HA H 21 4.105 4.330 -0.225 1
1 269 . 14 1 1 A 21 21 ASP C C 21 176.182 175.324 0.858 1
1 270 . 14 1 1 A 21 21 ASP CA C 21 50.850 53.183 -2.333 1
1 271 . 14 1 1 A 21 21 ASP CB C 21 43.460 41.026 2.434 1
1 272 . 14 1 1 A 21 21 ASP N N 21 129.516 127.849 1.667 1
1 273 . 14 1 1 A 22 22 VAL H H 22 8.095 7.990 0.105 1
1 274 . 14 1 1 A 22 22 VAL HA H 22 5.720 5.010 0.710 1
1 282 . 14 1 1 A 22 22 VAL C C 22 178.006 174.701 3.305 1
1 283 . 14 1 1 A 22 22 VAL CA C 22 58.990 61.019 -2.029 1
1 284 . 14 1 1 A 22 22 VAL CB C 22 30.150 31.451 -1.301 1
1 287 . 14 1 1 A 22 22 VAL N N 22 114.833 120.646 -5.813 1
1 288 . 14 1 1 A 23 23 ARG H H 23 7.467 8.280 -0.813 1
1 289 . 14 1 1 A 23 23 ARG HA H 23 4.358 4.525 -0.167 1
1 299 . 14 1 1 A 23 23 ARG C C 23 172.157 175.944 -3.787 1
1 300 . 14 1 1 A 23 23 ARG CA C 23 56.190 56.532 -0.342 1
1 301 . 14 1 1 A 23 23 ARG CB C 23 31.230 32.745 -1.515 1
1 304 . 14 1 1 A 23 23 ARG N N 23 120.418 125.379 -4.961 1
1 307 . 14 1 1 A 24 24 GLU H H 24 7.372 7.553 -0.181 1
1 308 . 14 1 1 A 24 24 GLU HA H 24 4.454 4.751 -0.297 1
1 313 . 14 1 1 A 24 24 GLU C C 24 178.807 176.360 2.447 1
1 314 . 14 1 1 A 24 24 GLU CA C 24 53.870 55.000 -1.130 1
1 315 . 14 1 1 A 24 24 GLU CB C 24 31.610 34.029 -2.419 1
1 317 . 14 1 1 A 24 24 GLU N N 24 111.001 116.032 -5.031 1
1 318 . 14 1 1 A 25 25 LEU H H 25 8.842 8.531 0.311 1
1 319 . 14 1 1 A 25 25 LEU HA H 25 3.922 4.025 -0.103 1
1 329 . 14 1 1 A 25 25 LEU C C 25 177.591 177.614 -0.023 1
1 330 . 14 1 1 A 25 25 LEU CA C 25 58.800 57.923 0.877 1
1 331 . 14 1 1 A 25 25 LEU CB C 25 42.000 41.337 0.663 1
1 335 . 14 1 1 A 25 25 LEU N N 25 122.468 125.684 -3.216 1
1 336 . 14 1 1 A 26 26 ASP H H 26 8.671 8.158 0.513 1
1 337 . 14 1 1 A 26 26 ASP HA H 26 4.389 4.246 0.143 1
1 340 . 14 1 1 A 26 26 ASP C C 26 178.739 178.063 0.676 1
1 341 . 14 1 1 A 26 26 ASP CA C 26 56.540 57.782 -1.242 1
1 342 . 14 1 1 A 26 26 ASP CB C 26 39.570 42.009 -2.439 1
1 343 . 14 1 1 A 26 26 ASP N N 26 114.189 119.273 -5.084 1
1 344 . 14 1 1 A 27 27 GLU H H 27 7.235 8.312 -1.077 1
1 345 . 14 1 1 A 27 27 GLU HA H 27 4.304 4.067 0.237 1
1 350 . 14 1 1 A 27 27 GLU C C 27 177.678 178.486 -0.808 1
1 351 . 14 1 1 A 27 27 GLU CA C 27 58.830 59.269 -0.439 1
1 352 . 14 1 1 A 27 27 GLU CB C 27 30.650 29.033 1.617 1
1 354 . 14 1 1 A 27 27 GLU N N 27 120.618 117.607 3.011 1
1 355 . 14 1 1 A 28 28 TYR H H 28 7.703 7.813 -0.110 1
1 356 . 14 1 1 A 28 28 TYR HA H 28 4.149 3.875 0.274 1
1 363 . 14 1 1 A 28 28 TYR C C 28 177.108 177.507 -0.399 1
1 364 . 14 1 1 A 28 28 TYR CA C 28 60.600 61.472 -0.872 1
1 365 . 14 1 1 A 28 28 TYR CB C 28 39.300 38.850 0.450 1
1 370 . 14 1 1 A 28 28 TYR N N 28 121.871 121.901 -0.030 1
1 371 . 14 1 1 A 29 29 GLU H H 29 8.727 8.147 0.580 1
1 372 . 14 1 1 A 29 29 GLU HA H 29 3.823 4.036 -0.213 1
1 377 . 14 1 1 A 29 29 GLU C C 29 177.456 178.537 -1.081 1
1 378 . 14 1 1 A 29 29 GLU CA C 29 58.770 59.172 -0.402 1
1 379 . 14 1 1 A 29 29 GLU CB C 29 29.880 29.414 0.466 1
1 381 . 14 1 1 A 29 29 GLU N N 29 116.326 118.591 -2.265 1
1 382 . 14 1 1 A 30 30 GLU H H 30 7.225 7.861 -0.636 1
1 383 . 14 1 1 A 30 30 GLU HA H 30 4.219 4.315 -0.096 1
1 388 . 14 1 1 A 30 30 GLU C C 30 177.012 176.448 0.564 1
1 389 . 14 1 1 A 30 30 GLU CA C 30 59.750 58.306 1.444 1
1 390 . 14 1 1 A 30 30 GLU CB C 30 29.310 30.127 -0.817 1
1 392 . 14 1 1 A 30 30 GLU N N 30 119.394 115.769 3.625 1
1 393 . 14 1 1 A 31 31 LEU H H 31 7.512 7.955 -0.443 1
1 394 . 14 1 1 A 31 31 LEU HA H 31 5.102 4.547 0.555 1
1 404 . 14 1 1 A 31 31 LEU C C 31 173.363 174.848 -1.485 1
1 405 . 14 1 1 A 31 31 LEU CA C 31 55.760 53.443 2.317 1
1 406 . 14 1 1 A 31 31 LEU CB C 31 42.880 44.219 -1.339 1
1 410 . 14 1 1 A 31 31 LEU N N 31 118.039 116.658 1.381 1
1 411 . 14 1 1 A 32 32 HIS H H 32 8.196 8.250 -0.054 1
1 412 . 14 1 1 A 32 32 HIS HA H 32 4.433 5.076 -0.643 1
1 417 . 14 1 1 A 32 32 HIS C C 32 171.973 171.995 -0.022 1
1 418 . 14 1 1 A 32 32 HIS CA C 32 54.660 54.258 0.402 1
1 419 . 14 1 1 A 32 32 HIS CB C 32 31.500 31.517 -0.017 1
1 422 . 14 1 1 A 32 32 HIS N N 32 114.425 115.500 -1.075 1
1 423 . 14 1 1 A 33 33 LEU H H 33 10.099 8.328 1.771 1
1 424 . 14 1 1 A 33 33 LEU HA H 33 4.745 4.411 0.334 1
1 434 . 14 1 1 A 33 33 LEU CA C 33 53.423 52.570 0.853 1
1 435 . 14 1 1 A 33 33 LEU CB C 33 42.750 41.227 1.523 1
1 439 . 14 1 1 A 33 33 LEU N N 33 124.819 121.032 3.787 1
1 440 . 14 1 1 A 34 34 PRO HA H 34 4.328 4.229 0.099 1
1 447 . 14 1 1 A 34 34 PRO C C 34 177.012 177.957 -0.945 1
1 448 . 14 1 1 A 34 34 PRO CA C 34 64.440 65.508 -1.068 1
1 449 . 14 1 1 A 34 34 PRO CB C 34 31.660 31.681 -0.021 1
1 452 . 14 1 1 A 35 35 ASN H H 35 8.736 8.430 0.306 1
1 453 . 14 1 1 A 35 35 ASN HA H 35 4.701 4.760 -0.059 1
1 458 . 14 1 1 A 35 35 ASN C C 35 174.801 174.966 -0.165 1
1 459 . 14 1 1 A 35 35 ASN CA C 35 53.470 53.077 0.393 1
1 460 . 14 1 1 A 35 35 ASN CB C 35 37.650 37.523 0.127 1
1 461 . 14 1 1 A 35 35 ASN N N 35 113.231 113.495 -0.264 1
1 463 . 14 1 1 A 36 36 ALA H H 36 7.434 7.206 0.228 1
1 464 . 14 1 1 A 36 36 ALA HA H 36 4.523 4.598 -0.075 1
1 468 . 14 1 1 A 36 36 ALA C C 36 177.494 176.738 0.756 1
1 469 . 14 1 1 A 36 36 ALA CA C 36 52.700 50.507 2.193 1
1 470 . 14 1 1 A 36 36 ALA CB C 36 21.760 20.733 1.027 1
1 471 . 14 1 1 A 36 36 ALA N N 36 122.419 123.142 -0.723 1
1 472 . 14 1 1 A 37 37 THR H H 37 8.334 8.729 -0.395 1
1 473 . 14 1 1 A 37 37 THR HA H 37 4.184 4.324 -0.140 1
1 479 . 14 1 1 A 37 37 THR C C 37 172.359 174.188 -1.829 1
1 480 . 14 1 1 A 37 37 THR CA C 37 63.020 63.502 -0.482 1
1 481 . 14 1 1 A 37 37 THR CB C 37 69.800 68.697 1.103 1
1 483 . 14 1 1 A 37 37 THR N N 37 121.183 119.016 2.167 1
1 484 . 14 1 1 A 38 38 LEU H H 38 8.306 8.510 -0.204 1
1 485 . 14 1 1 A 38 38 LEU HA H 38 4.815 4.432 0.383 1
1 495 . 14 1 1 A 38 38 LEU C C 38 176.529 175.037 1.492 1
1 496 . 14 1 1 A 38 38 LEU CA C 38 53.873 55.075 -1.202 1
1 497 . 14 1 1 A 38 38 LEU CB C 38 41.830 42.038 -0.208 1
1 501 . 14 1 1 A 38 38 LEU N N 38 130.981 129.983 0.998 1
1 502 . 14 1 1 A 39 39 ILE H H 39 8.612 8.183 0.429 1
1 503 . 14 1 1 A 39 39 ILE HA H 39 3.779 4.607 -0.828 1
1 513 . 14 1 1 A 39 39 ILE C C 39 172.186 174.653 -2.467 1
1 514 . 14 1 1 A 39 39 ILE CA C 39 62.040 59.719 2.321 1
1 515 . 14 1 1 A 39 39 ILE CB C 39 40.360 42.386 -2.026 1
1 519 . 14 1 1 A 39 39 ILE N N 39 131.100 129.075 2.025 1
1 520 . 14 1 1 A 40 40 SER H H 40 8.123 8.482 -0.359 1
1 521 . 14 1 1 A 40 40 SER HA H 40 3.904 4.479 -0.575 1
1 524 . 14 1 1 A 40 40 SER C C 40 177.629 175.560 2.069 1
1 525 . 14 1 1 A 40 40 SER CA C 40 58.810 58.684 0.126 1
1 526 . 14 1 1 A 40 40 SER CB C 40 63.090 63.914 -0.824 1
1 527 . 14 1 1 A 40 40 SER N N 40 118.068 122.505 -4.437 1
1 528 . 14 1 1 A 41 41 VAL H H 41 7.739 8.492 -0.753 1
1 529 . 14 1 1 A 41 41 VAL HA H 41 3.913 3.883 0.030 1
1 537 . 14 1 1 A 41 41 VAL C C 41 174.714 176.856 -2.142 1
1 538 . 14 1 1 A 41 41 VAL CA C 41 58.990 64.832 -5.842 1
1 539 . 14 1 1 A 41 41 VAL CB C 41 31.730 31.797 -0.067 1
1 542 . 14 1 1 A 41 41 VAL N N 41 124.290 126.013 -1.723 1
1 543 . 14 1 1 A 42 42 ASN H H 42 8.344 8.546 -0.202 1
1 544 . 14 1 1 A 42 42 ASN HA H 42 4.630 4.599 0.031 1
1 549 . 14 1 1 A 42 42 ASN C C 42 175.699 175.348 0.351 1
1 550 . 14 1 1 A 42 42 ASN CA C 42 54.860 54.022 0.838 1
1 551 . 14 1 1 A 42 42 ASN CB C 42 38.610 37.482 1.128 1
1 552 . 14 1 1 A 42 42 ASN N N 42 116.715 116.191 0.524 1
1 554 . 14 1 1 A 43 43 ASP H H 43 8.417 7.391 1.026 1
1 555 . 14 1 1 A 43 43 ASP HA H 43 5.021 4.884 0.137 1
1 558 . 14 1 1 A 43 43 ASP C C 43 175.699 176.025 -0.326 1
1 559 . 14 1 1 A 43 43 ASP CA C 43 52.300 52.613 -0.313 1
1 560 . 14 1 1 A 43 43 ASP CB C 43 39.540 38.825 0.715 1
1 561 . 14 1 1 A 43 43 ASP N N 43 125.038 120.033 5.005 1
1 562 . 14 1 1 A 44 44 GLN H H 44 7.762 8.015 -0.253 1
1 563 . 14 1 1 A 44 44 GLN HA H 44 3.815 4.021 -0.206 1
1 570 . 14 1 1 A 44 44 GLN C C 44 178.430 178.333 0.097 1
1 571 . 14 1 1 A 44 44 GLN CA C 44 59.650 58.998 0.652 1
1 572 . 14 1 1 A 44 44 GLN CB C 44 28.760 28.486 0.274 1
1 574 . 14 1 1 A 44 44 GLN N N 44 119.490 122.795 -3.305 1
1 576 . 14 1 1 A 45 45 GLU H H 45 8.705 8.495 0.210 1
1 577 . 14 1 1 A 45 45 GLU HA H 45 4.059 4.040 0.019 1
1 582 . 14 1 1 A 45 45 GLU C C 45 178.739 178.835 -0.096 1
1 583 . 14 1 1 A 45 45 GLU CA C 45 59.660 59.345 0.315 1
1 584 . 14 1 1 A 45 45 GLU CB C 45 28.900 29.136 -0.236 1
1 586 . 14 1 1 A 45 45 GLU N N 45 119.373 118.641 0.732 1
1 587 . 14 1 1 A 46 46 LYS H H 46 7.545 7.762 -0.217 1
1 588 . 14 1 1 A 46 46 LYS HA H 46 4.119 4.150 -0.031 1
1 597 . 14 1 1 A 46 46 LYS C C 46 179.579 178.744 0.835 1
1 598 . 14 1 1 A 46 46 LYS CA C 46 58.940 59.052 -0.112 1
1 599 . 14 1 1 A 46 46 LYS CB C 46 32.750 31.952 0.798 1
1 603 . 14 1 1 A 46 46 LYS N N 46 120.645 119.901 0.744 1
1 604 . 14 1 1 A 47 47 LEU H H 47 8.005 7.757 0.248 1
1 605 . 14 1 1 A 47 47 LEU HA H 47 4.059 4.055 0.004 1
1 615 . 14 1 1 A 47 47 LEU C C 47 177.436 178.163 -0.727 1
1 616 . 14 1 1 A 47 47 LEU CA C 47 58.090 57.772 0.318 1
1 617 . 14 1 1 A 47 47 LEU CB C 47 41.150 41.346 -0.196 1
1 621 . 14 1 1 A 47 47 LEU N N 47 122.201 121.179 1.022 1
1 622 . 14 1 1 A 48 48 ALA H H 48 8.239 8.380 -0.141 1
1 623 . 14 1 1 A 48 48 ALA HA H 48 3.733 3.604 0.129 1
1 627 . 14 1 1 A 48 48 ALA C C 48 179.347 179.103 0.244 1
1 628 . 14 1 1 A 48 48 ALA CA C 48 55.420 54.865 0.555 1
1 629 . 14 1 1 A 48 48 ALA CB C 48 18.240 17.950 0.290 1
1 630 . 14 1 1 A 48 48 ALA N N 48 121.483 120.696 0.787 1
1 631 . 14 1 1 A 49 49 ASP H H 49 8.001 7.753 0.248 1
1 632 . 14 1 1 A 49 49 ASP HA H 49 4.308 4.314 -0.006 1
1 635 . 14 1 1 A 49 49 ASP C C 49 179.106 178.250 0.856 1
1 636 . 14 1 1 A 49 49 ASP CA C 49 57.350 57.233 0.117 1
1 637 . 14 1 1 A 49 49 ASP CB C 49 41.250 41.625 -0.375 1
1 638 . 14 1 1 A 49 49 ASP N N 49 117.231 119.068 -1.837 1
1 639 . 14 1 1 A 50 50 PHE H H 50 8.265 8.105 0.160 1
1 640 . 14 1 1 A 50 50 PHE HA H 50 4.101 4.049 0.052 1
1 647 . 14 1 1 A 50 50 PHE C C 50 179.048 176.839 2.209 1
1 648 . 14 1 1 A 50 50 PHE CA C 50 62.590 61.111 1.479 1
1 649 . 14 1 1 A 50 50 PHE CB C 50 39.810 39.382 0.428 1
1 651 . 14 1 1 A 50 50 PHE N N 50 122.379 120.257 2.122 1
1 652 . 14 1 1 A 51 51 LEU H H 51 8.653 7.899 0.754 1
1 653 . 14 1 1 A 51 51 LEU HA H 51 3.789 3.844 -0.055 1
1 663 . 14 1 1 A 51 51 LEU C C 51 180.400 178.119 2.281 1
1 664 . 14 1 1 A 51 51 LEU CA C 51 58.140 57.081 1.059 1
1 665 . 14 1 1 A 51 51 LEU CB C 51 38.770 41.468 -2.698 1
1 669 . 14 1 1 A 51 51 LEU N N 51 120.277 119.540 0.737 1
1 670 . 14 1 1 A 52 52 SER H H 52 8.332 7.829 0.503 1
1 671 . 14 1 1 A 52 52 SER HA H 52 4.160 4.363 -0.203 1
1 674 . 14 1 1 A 52 52 SER C C 52 176.220 176.656 -0.436 1
1 675 . 14 1 1 A 52 52 SER CA C 52 61.840 60.612 1.228 1
1 676 . 14 1 1 A 52 52 SER CB C 52 62.850 63.172 -0.322 1
1 677 . 14 1 1 A 52 52 SER N N 52 115.630 114.443 1.187 1
1 678 . 14 1 1 A 53 53 GLN H H 53 7.405 7.614 -0.209 1
1 679 . 14 1 1 A 53 53 GLN HA H 53 4.092 4.059 0.033 1
1 686 . 14 1 1 A 53 53 GLN C C 53 176.046 176.204 -0.158 1
1 687 . 14 1 1 A 53 53 GLN CA C 53 56.560 58.435 -1.875 1
1 688 . 14 1 1 A 53 53 GLN CB C 53 28.580 29.021 -0.441 1
1 690 . 14 1 1 A 53 53 GLN N N 53 119.056 118.540 0.516 1
1 692 . 14 1 1 A 54 54 HIS H H 54 7.311 7.758 -0.447 1
1 693 . 14 1 1 A 54 54 HIS HA H 54 4.754 4.954 -0.200 1
1 696 . 14 1 1 A 54 54 HIS C C 54 175.467 174.906 0.561 1
1 697 . 14 1 1 A 54 54 HIS CA C 54 55.562 54.578 0.984 1
1 698 . 14 1 1 A 54 54 HIS CB C 54 29.650 31.665 -2.015 1
1 699 . 14 1 1 A 54 54 HIS N N 54 117.800 115.894 1.906 1
1 700 . 14 1 1 A 55 55 LYS H H 55 7.646 8.632 -0.986 1
1 701 . 14 1 1 A 55 55 LYS HA H 55 4.296 4.290 0.006 1
1 710 . 14 1 1 A 55 55 LYS C C 55 176.741 177.321 -0.580 1
1 711 . 14 1 1 A 55 55 LYS CA C 55 58.710 58.364 0.346 1
1 712 . 14 1 1 A 55 55 LYS CB C 55 32.370 32.845 -0.475 1
1 716 . 14 1 1 A 55 55 LYS N N 55 119.903 124.370 -4.467 1
1 717 . 14 1 1 A 56 56 ASP H H 56 8.853 7.617 1.236 1
1 718 . 14 1 1 A 56 56 ASP HA H 56 4.655 4.799 -0.144 1
1 721 . 14 1 1 A 56 56 ASP C C 56 175.158 174.639 0.519 1
1 722 . 14 1 1 A 56 56 ASP CA C 56 53.930 53.452 0.478 1
1 723 . 14 1 1 A 56 56 ASP CB C 56 40.220 39.981 0.239 1
1 724 . 14 1 1 A 56 56 ASP N N 56 116.429 119.258 -2.829 1
1 725 . 14 1 1 A 57 57 LYS H H 57 7.655 8.167 -0.512 1
1 726 . 14 1 1 A 57 57 LYS HA H 57 4.701 5.025 -0.324 1
1 735 . 14 1 1 A 57 57 LYS C C 57 175.236 174.022 1.214 1
1 736 . 14 1 1 A 57 57 LYS CA C 57 53.830 54.910 -1.080 1
1 737 . 14 1 1 A 57 57 LYS CB C 57 35.550 36.289 -0.739 1
1 741 . 14 1 1 A 57 57 LYS N N 57 119.510 122.243 -2.733 1
1 742 . 14 1 1 A 58 58 LYS H H 58 8.265 8.773 -0.508 1
1 743 . 14 1 1 A 58 58 LYS HA H 58 4.745 5.195 -0.450 1
1 752 . 14 1 1 A 58 58 LYS C C 58 175.651 175.456 0.195 1
1 753 . 14 1 1 A 58 58 LYS CA C 58 56.870 55.058 1.812 1
1 754 . 14 1 1 A 58 58 LYS CB C 58 33.250 34.327 -1.077 1
1 758 . 14 1 1 A 58 58 LYS N N 58 120.091 121.885 -1.794 1
1 759 . 14 1 1 A 59 59 VAL H H 59 9.233 9.290 -0.057 1
1 760 . 14 1 1 A 59 59 VAL HA H 59 5.231 5.470 -0.239 1
1 768 . 14 1 1 A 59 59 VAL C C 59 173.556 174.290 -0.734 1
1 769 . 14 1 1 A 59 59 VAL CA C 59 60.930 61.257 -0.327 1
1 770 . 14 1 1 A 59 59 VAL CB C 59 34.300 34.992 -0.692 1
1 772 . 14 1 1 A 59 59 VAL N N 59 127.047 127.081 -0.034 1
1 773 . 14 1 1 A 60 60 LEU H H 60 9.228 8.991 0.237 1
1 774 . 14 1 1 A 60 60 LEU HA H 60 4.815 5.113 -0.298 1
1 784 . 14 1 1 A 60 60 LEU C C 60 173.421 174.802 -1.381 1
1 785 . 14 1 1 A 60 60 LEU CA C 60 52.586 53.611 -1.025 1
1 786 . 14 1 1 A 60 60 LEU CB C 60 45.660 45.186 0.474 1
1 790 . 14 1 1 A 60 60 LEU N N 60 129.197 129.805 -0.608 1
1 791 . 14 1 1 A 61 61 LEU H H 61 9.055 9.059 -0.004 1
1 792 . 14 1 1 A 61 61 LEU HA H 61 5.713 4.917 0.796 1
1 802 . 14 1 1 A 61 61 LEU C C 61 176.683 176.815 -0.132 1
1 803 . 14 1 1 A 61 61 LEU CA C 61 52.760 54.086 -1.326 1
1 804 . 14 1 1 A 61 61 LEU CB C 61 43.220 41.367 1.853 1
1 808 . 14 1 1 A 61 61 LEU N N 61 125.903 128.891 -2.988 1
1 809 . 14 1 1 A 62 62 HIS H H 62 9.148 9.030 0.118 1
1 810 . 14 1 1 A 62 62 HIS HA H 62 5.440 5.589 -0.149 1
1 816 . 14 1 1 A 62 62 HIS C C 62 172.301 173.722 -1.421 1
1 817 . 14 1 1 A 62 62 HIS CA C 62 54.580 53.699 0.881 1
1 818 . 14 1 1 A 62 62 HIS CB C 62 33.980 32.630 1.350 1
1 821 . 14 1 1 A 62 62 HIS N N 62 119.183 121.993 -2.810 1
1 823 . 14 1 1 A 63 63 CYS H H 63 9.389 8.233 1.156 1
1 824 . 14 1 1 A 63 63 CYS HA H 63 5.021 4.875 0.146 1
1 827 . 14 1 1 A 63 63 CYS C C 63 177.649 175.221 2.428 1
1 828 . 14 1 1 A 63 63 CYS CA C 63 56.460 57.392 -0.932 1
1 829 . 14 1 1 A 63 63 CYS CB C 63 29.400 30.894 -1.494 1
1 830 . 14 1 1 A 63 63 CYS N N 63 120.896 118.712 2.184 1
1 831 . 14 1 1 A 64 64 ARG H H 64 8.658 8.781 -0.123 1
1 832 . 14 1 1 A 64 64 ARG HA H 64 4.425 3.808 0.617 1
1 839 . 14 1 1 A 64 64 ARG C C 64 174.724 177.620 -2.896 1
1 840 . 14 1 1 A 64 64 ARG CA C 64 59.000 59.351 -0.351 1
1 841 . 14 1 1 A 64 64 ARG CB C 64 30.820 30.029 0.791 1
1 844 . 14 1 1 A 64 64 ARG N N 64 130.651 126.350 4.301 1
1 845 . 14 1 1 A 65 65 ALA H H 65 8.166 7.637 0.529 1
1 846 . 14 1 1 A 65 65 ALA HA H 65 5.399 4.512 0.887 1
1 850 . 14 1 1 A 65 65 ALA C C 65 177.909 177.469 0.440 1
1 851 . 14 1 1 A 65 65 ALA CA C 65 52.020 53.379 -1.359 1
1 852 . 14 1 1 A 65 65 ALA CB C 65 20.270 21.394 -1.124 1
1 853 . 14 1 1 A 65 65 ALA N N 65 118.548 119.307 -0.759 1
1 854 . 14 1 1 A 66 66 GLY H H 66 9.300 7.140 2.160 1
1 855 . 14 1 1 A 66 66 GLY HA2 H 66 4.872 4.090 0.782 1
1 856 . 14 1 1 A 66 66 GLY HA3 H 66 4.450 4.102 0.348 1
1 857 . 14 1 1 A 66 66 GLY C C 66 176.761 174.915 1.846 1
1 858 . 14 1 1 A 66 66 GLY CA C 66 46.630 45.654 0.976 1
1 859 . 14 1 1 A 66 66 GLY N N 66 114.644 105.430 9.214 1
1 860 . 14 1 1 A 67 67 ARG H H 67 8.118 8.072 0.046 1
1 861 . 14 1 1 A 67 67 ARG HA H 67 4.141 4.028 0.113 1
1 871 . 14 1 1 A 67 67 ARG C C 67 178.691 178.346 0.345 1
1 872 . 14 1 1 A 67 67 ARG CA C 67 60.930 58.569 2.361 1
1 873 . 14 1 1 A 67 67 ARG CB C 67 31.240 29.719 1.521 1
1 876 . 14 1 1 A 67 67 ARG N N 67 121.922 122.059 -0.137 1
1 879 . 14 1 1 A 68 68 ARG H H 68 9.366 7.634 1.732 1
1 880 . 14 1 1 A 68 68 ARG HA H 68 4.282 3.987 0.295 1
1 887 . 14 1 1 A 68 68 ARG C C 68 178.681 178.902 -0.221 1
1 888 . 14 1 1 A 68 68 ARG CA C 68 59.410 59.160 0.250 1
1 889 . 14 1 1 A 68 68 ARG CB C 68 30.760 29.925 0.835 1
1 892 . 14 1 1 A 68 68 ARG N N 68 123.821 118.892 4.929 1
1 893 . 14 1 1 A 69 69 ALA H H 69 10.112 7.953 2.159 1
1 894 . 14 1 1 A 69 69 ALA HA H 69 3.800 4.069 -0.269 1
1 898 . 14 1 1 A 69 69 ALA C C 69 178.334 179.899 -1.565 1
1 899 . 14 1 1 A 69 69 ALA CA C 69 55.960 55.145 0.815 1
1 900 . 14 1 1 A 69 69 ALA CB C 69 17.730 18.727 -0.997 1
1 901 . 14 1 1 A 69 69 ALA N N 69 125.465 122.056 3.409 1
1 902 . 14 1 1 A 70 70 LEU H H 70 7.746 8.001 -0.255 1
1 903 . 14 1 1 A 70 70 LEU HA H 70 3.340 3.157 0.183 1
1 913 . 14 1 1 A 70 70 LEU C C 70 177.996 178.046 -0.050 1
1 914 . 14 1 1 A 70 70 LEU CA C 70 57.950 57.545 0.405 1
1 915 . 14 1 1 A 70 70 LEU CB C 70 40.720 41.273 -0.553 1
1 919 . 14 1 1 A 70 70 LEU N N 70 118.427 119.235 -0.808 1
1 920 . 14 1 1 A 71 71 ASP H H 71 7.662 8.391 -0.729 1
1 921 . 14 1 1 A 71 71 ASP HA H 71 4.236 4.242 -0.006 1
1 924 . 14 1 1 A 71 71 ASP C C 71 179.560 178.153 1.407 1
1 925 . 14 1 1 A 71 71 ASP CA C 71 57.880 57.466 0.414 1
1 926 . 14 1 1 A 71 71 ASP CB C 71 40.340 40.983 -0.643 1
1 927 . 14 1 1 A 71 71 ASP N N 71 120.180 118.956 1.224 1
1 928 . 14 1 1 A 72 72 ALA H H 72 8.796 7.907 0.889 1
1 929 . 14 1 1 A 72 72 ALA HA H 72 4.101 4.067 0.034 1
1 933 . 14 1 1 A 72 72 ALA C C 72 179.203 179.974 -0.771 1
1 934 . 14 1 1 A 72 72 ALA CA C 72 54.670 54.725 -0.055 1
1 935 . 14 1 1 A 72 72 ALA CB C 72 18.490 17.982 0.508 1
1 936 . 14 1 1 A 72 72 ALA N N 72 122.299 121.262 1.037 1
1 937 . 14 1 1 A 73 73 ALA H H 73 8.672 7.655 1.017 1
1 938 . 14 1 1 A 73 73 ALA HA H 73 3.758 4.139 -0.381 1
1 942 . 14 1 1 A 73 73 ALA C C 73 179.251 179.585 -0.334 1
1 943 . 14 1 1 A 73 73 ALA CA C 73 55.950 55.116 0.834 1
1 944 . 14 1 1 A 73 73 ALA CB C 73 17.660 17.905 -0.245 1
1 945 . 14 1 1 A 73 73 ALA N N 73 121.294 120.739 0.555 1
1 946 . 14 1 1 A 74 74 LYS H H 74 8.914 8.040 0.874 1
1 947 . 14 1 1 A 74 74 LYS HA H 74 3.790 3.849 -0.059 1
1 956 . 14 1 1 A 74 74 LYS C C 74 179.589 179.343 0.246 1
1 957 . 14 1 1 A 74 74 LYS CA C 74 60.620 59.347 1.273 1
1 958 . 14 1 1 A 74 74 LYS CB C 74 32.330 32.303 0.027 1
1 962 . 14 1 1 A 74 74 LYS N N 74 119.404 118.013 1.391 1
1 963 . 14 1 1 A 75 75 SER H H 75 7.874 8.140 -0.266 1
1 964 . 14 1 1 A 75 75 SER HA H 75 4.272 4.102 0.170 1
1 967 . 14 1 1 A 75 75 SER C C 75 176.944 176.803 0.141 1
1 968 . 14 1 1 A 75 75 SER CA C 75 61.840 61.821 0.019 1
1 969 . 14 1 1 A 75 75 SER CB C 75 62.990 62.700 0.290 1
1 970 . 14 1 1 A 75 75 SER N N 75 114.306 115.879 -1.573 1
1 971 . 14 1 1 A 76 76 MET H H 76 8.401 7.781 0.620 1
1 972 . 14 1 1 A 76 76 MET HA H 76 4.881 4.505 0.376 1
1 980 . 14 1 1 A 76 76 MET C C 76 179.811 178.617 1.194 1
1 981 . 14 1 1 A 76 76 MET CA C 76 56.060 58.028 -1.968 1
1 982 . 14 1 1 A 76 76 MET CB C 76 34.780 32.104 2.676 1
1 985 . 14 1 1 A 76 76 MET N N 76 119.510 119.752 -0.242 1
1 986 . 14 1 1 A 77 77 HIS H H 77 9.450 8.198 1.252 1
1 987 . 14 1 1 A 77 77 HIS HA H 77 5.148 4.712 0.436 1
1 992 . 14 1 1 A 77 77 HIS C C 77 181.596 177.894 3.702 1
1 993 . 14 1 1 A 77 77 HIS CA C 77 59.550 59.527 0.023 1
1 994 . 14 1 1 A 77 77 HIS CB C 77 30.720 29.504 1.216 1
1 997 . 14 1 1 A 77 77 HIS N N 77 123.245 118.027 5.218 1
1 998 . 14 1 1 A 78 78 GLU H H 78 7.832 8.225 -0.393 1
1 999 . 14 1 1 A 78 78 GLU HA H 78 4.159 4.075 0.084 1
1 1004 . 14 1 1 A 78 78 GLU C C 78 177.909 179.705 -1.796 1
1 1005 . 14 1 1 A 78 78 GLU CA C 78 59.110 58.942 0.168 1
1 1006 . 14 1 1 A 78 78 GLU CB C 78 29.380 29.236 0.144 1
1 1008 . 14 1 1 A 78 78 GLU N N 78 121.124 120.399 0.725 1
1 1009 . 14 1 1 A 79 79 LEU H H 79 7.161 7.348 -0.187 1
1 1010 . 14 1 1 A 79 79 LEU HA H 79 4.360 4.085 0.275 1
1 1020 . 14 1 1 A 79 79 LEU C C 79 176.934 176.744 0.190 1
1 1021 . 14 1 1 A 79 79 LEU CA C 79 54.820 55.963 -1.143 1
1 1022 . 14 1 1 A 79 79 LEU CB C 79 43.300 43.128 0.172 1
1 1026 . 14 1 1 A 79 79 LEU N N 79 116.655 118.031 -1.376 1
1 1027 . 14 1 1 A 80 80 GLY H H 80 7.545 7.546 -0.001 1
1 1028 . 14 1 1 A 80 80 GLY HA2 H 80 4.101 3.874 0.227 1
1 1029 . 14 1 1 A 80 80 GLY HA3 H 80 3.580 3.950 -0.370 1
1 1030 . 14 1 1 A 80 80 GLY C C 80 174.116 174.211 -0.095 1
1 1031 . 14 1 1 A 80 80 GLY CA C 80 45.010 45.014 -0.004 1
1 1032 . 14 1 1 A 80 80 GLY N N 80 105.216 105.468 -0.252 1
1 1033 . 14 1 1 A 81 81 TYR H H 81 7.519 7.551 -0.032 1
1 1034 . 14 1 1 A 81 81 TYR HA H 81 4.727 4.469 0.258 1
1 1041 . 14 1 1 A 81 81 TYR C C 81 174.377 175.120 -0.743 1
1 1042 . 14 1 1 A 81 81 TYR CA C 81 56.960 58.180 -1.220 1
1 1043 . 14 1 1 A 81 81 TYR CB C 81 40.310 38.893 1.417 1
1 1046 . 14 1 1 A 81 81 TYR N N 81 119.660 120.152 -0.492 1
1 1047 . 14 1 1 A 82 82 THR H H 82 8.786 8.693 0.093 1
1 1048 . 14 1 1 A 82 82 THR HA H 82 3.390 3.610 -0.220 1
1 1053 . 14 1 1 A 82 82 THR CA C 82 57.030 58.212 -1.182 1
1 1054 . 14 1 1 A 82 82 THR CB C 82 68.740 68.825 -0.085 1
1 1056 . 14 1 1 A 82 82 THR N N 82 105.368 113.649 -8.281 1
1 1057 . 14 1 1 A 83 83 PRO HA H 83 5.003 4.679 0.324 1
1 1064 . 14 1 1 A 83 83 PRO C C 83 175.699 176.385 -0.686 1
1 1065 . 14 1 1 A 83 83 PRO CA C 83 63.140 62.413 0.727 1
1 1066 . 14 1 1 A 83 83 PRO CB C 83 31.570 32.193 -0.623 1
1 1069 . 14 1 1 A 84 84 TYR H H 84 9.497 8.573 0.924 1
1 1070 . 14 1 1 A 84 84 TYR HA H 84 5.482 5.151 0.331 1
1 1077 . 14 1 1 A 84 84 TYR C C 84 175.506 175.314 0.192 1
1 1078 . 14 1 1 A 84 84 TYR CA C 84 57.570 57.816 -0.246 1
1 1079 . 14 1 1 A 84 84 TYR CB C 84 40.500 39.607 0.893 1
1 1082 . 14 1 1 A 84 84 TYR N N 84 119.880 120.350 -0.470 1
1 1083 . 14 1 1 A 85 85 TYR H H 85 8.570 8.449 0.121 1
1 1084 . 14 1 1 A 85 85 TYR HA H 85 5.730 5.708 0.022 1
1 1089 . 14 1 1 A 85 85 TYR C C 85 172.215 172.322 -0.107 1
1 1090 . 14 1 1 A 85 85 TYR CA C 85 55.240 56.033 -0.793 1
1 1091 . 14 1 1 A 85 85 TYR CB C 85 40.830 41.672 -0.842 1
1 1093 . 14 1 1 A 85 85 TYR N N 85 116.764 118.016 -1.252 1
1 1094 . 14 1 1 A 86 86 LEU H H 86 8.196 9.191 -0.995 1
1 1095 . 14 1 1 A 86 86 LEU HA H 86 4.881 5.174 -0.293 1
1 1105 . 14 1 1 A 86 86 LEU C C 86 177.552 174.835 2.717 1
1 1106 . 14 1 1 A 86 86 LEU CA C 86 53.376 53.600 -0.224 1
1 1107 . 14 1 1 A 86 86 LEU CB C 86 44.360 44.940 -0.580 1
1 1111 . 14 1 1 A 86 86 LEU N N 86 121.589 123.577 -1.988 1
1 1112 . 14 1 1 A 87 87 GLU H H 87 9.146 8.770 0.376 1
1 1113 . 14 1 1 A 87 87 GLU HA H 87 4.797 5.004 -0.207 1
1 1118 . 14 1 1 A 87 87 GLU C C 87 174.965 176.174 -1.209 1
1 1119 . 14 1 1 A 87 87 GLU CA C 87 55.405 55.780 -0.375 1
1 1120 . 14 1 1 A 87 87 GLU CB C 87 30.010 29.788 0.222 1
1 1122 . 14 1 1 A 87 87 GLU N N 87 128.779 126.798 1.981 1
1 1123 . 14 1 1 A 88 88 GLY H H 88 7.349 8.232 -0.883 1
1 1124 . 14 1 1 A 88 88 GLY HA2 H 88 4.110 4.230 -0.120 1
1 1125 . 14 1 1 A 88 88 GLY HA3 H 88 4.023 4.304 -0.281 1
1 1126 . 14 1 1 A 88 88 GLY C C 88 170.593 172.038 -1.445 1
1 1127 . 14 1 1 A 88 88 GLY CA C 88 44.970 45.579 -0.609 1
1 1128 . 14 1 1 A 88 88 GLY N N 88 112.564 111.237 1.327 1
1 1129 . 14 1 1 A 89 89 ASN H H 89 8.756 8.565 0.191 1
1 1130 . 14 1 1 A 89 89 ASN HA H 89 5.722 5.166 0.556 1
1 1135 . 14 1 1 A 89 89 ASN C C 89 176.336 176.062 0.274 1
1 1136 . 14 1 1 A 89 89 ASN CA C 89 52.210 53.797 -1.587 1
1 1137 . 14 1 1 A 89 89 ASN CB C 89 40.950 38.651 2.299 1
1 1138 . 14 1 1 A 89 89 ASN N N 89 121.363 119.599 1.764 1
1 1140 . 14 1 1 A 90 90 VAL H H 90 8.928 8.237 0.691 1
1 1141 . 14 1 1 A 90 90 VAL HA H 90 4.425 2.193 2.232 1
1 1149 . 14 1 1 A 90 90 VAL C C 90 175.660 176.508 -0.848 1
1 1150 . 14 1 1 A 90 90 VAL CA C 90 58.930 64.114 -5.184 1
1 1151 . 14 1 1 A 90 90 VAL CB C 90 30.860 31.372 -0.512 1
1 1154 . 14 1 1 A 90 90 VAL N N 90 128.990 125.596 3.394 1
1 1155 . 14 1 1 A 91 91 TYR H H 91 8.330 7.457 0.873 1
1 1156 . 14 1 1 A 91 91 TYR HA H 91 4.016 4.565 -0.549 1
1 1163 . 14 1 1 A 91 91 TYR C C 91 175.718 176.951 -1.233 1
1 1164 . 14 1 1 A 91 91 TYR CA C 91 61.700 61.879 -0.179 1
1 1165 . 14 1 1 A 91 91 TYR CB C 91 36.580 37.574 -0.994 1
1 1168 . 14 1 1 A 91 91 TYR N N 91 119.510 119.671 -0.161 1
1 1169 . 14 1 1 A 92 92 ASP H H 92 8.654 7.808 0.846 1
1 1170 . 14 1 1 A 92 92 ASP HA H 92 5.146 4.814 0.332 1
1 1173 . 14 1 1 A 92 92 ASP C C 92 177.224 178.198 -0.974 1
1 1174 . 14 1 1 A 92 92 ASP CA C 92 54.290 55.145 -0.855 1
1 1175 . 14 1 1 A 92 92 ASP CB C 92 42.670 41.441 1.229 1
1 1176 . 14 1 1 A 92 92 ASP N N 92 117.541 120.752 -3.211 1
1 1177 . 14 1 1 A 93 93 PHE H H 93 7.673 7.686 -0.013 1
1 1178 . 14 1 1 A 93 93 PHE HA H 93 4.688 4.497 0.191 1
1 1186 . 14 1 1 A 93 93 PHE C C 93 179.270 178.644 0.626 1
1 1187 . 14 1 1 A 93 93 PHE CA C 93 60.340 61.985 -1.645 1
1 1188 . 14 1 1 A 93 93 PHE CB C 93 36.010 38.635 -2.625 1
1 1192 . 14 1 1 A 93 93 PHE N N 93 123.205 117.976 5.229 1
1 1193 . 14 1 1 A 94 94 GLU H H 94 9.164 8.524 0.640 1
1 1194 . 14 1 1 A 94 94 GLU HA H 94 4.676 4.304 0.372 1
1 1199 . 14 1 1 A 94 94 GLU C C 94 180.805 178.977 1.828 1
1 1200 . 14 1 1 A 94 94 GLU CA C 94 59.240 59.993 -0.753 1
1 1201 . 14 1 1 A 94 94 GLU CB C 94 29.640 29.164 0.476 1
1 1203 . 14 1 1 A 94 94 GLU N N 94 118.657 118.269 0.388 1
1 1204 . 14 1 1 A 95 95 LYS H H 95 8.005 8.323 -0.318 1
1 1205 . 14 1 1 A 95 95 LYS HA H 95 4.103 4.182 -0.079 1
1 1214 . 14 1 1 A 95 95 LYS C C 95 177.948 177.068 0.880 1
1 1215 . 14 1 1 A 95 95 LYS CA C 95 58.680 58.540 0.140 1
1 1216 . 14 1 1 A 95 95 LYS CB C 95 31.690 31.568 0.122 1
1 1220 . 14 1 1 A 95 95 LYS N N 95 121.494 119.214 2.280 1
1 1221 . 14 1 1 A 96 96 TYR H H 96 7.710 7.785 -0.075 1
1 1222 . 14 1 1 A 96 96 TYR HA H 96 4.332 4.665 -0.333 1
1 1229 . 14 1 1 A 96 96 TYR C C 96 174.550 175.737 -1.187 1
1 1230 . 14 1 1 A 96 96 TYR CA C 96 59.370 58.009 1.361 1
1 1231 . 14 1 1 A 96 96 TYR CB C 96 38.340 38.944 -0.604 1
1 1234 . 14 1 1 A 96 96 TYR N N 96 117.421 118.719 -1.298 1
1 1235 . 14 1 1 A 97 97 GLY H H 97 7.796 8.279 -0.483 1
1 1236 . 14 1 1 A 97 97 GLY HA2 H 97 3.966 3.713 0.253 1
1 1237 . 14 1 1 A 97 97 GLY HA3 H 97 3.580 3.864 -0.284 1
1 1238 . 14 1 1 A 97 97 GLY C C 97 173.662 173.706 -0.044 1
1 1239 . 14 1 1 A 97 97 GLY CA C 97 45.160 45.554 -0.394 1
1 1240 . 14 1 1 A 97 97 GLY N N 97 105.806 108.584 -2.778 1
1 1241 . 14 1 1 A 98 98 PHE H H 98 7.323 7.966 -0.643 1
1 1242 . 14 1 1 A 98 98 PHE HA H 98 4.644 4.987 -0.343 1
1 1250 . 14 1 1 A 98 98 PHE C C 98 173.353 175.701 -2.348 1
1 1251 . 14 1 1 A 98 98 PHE CA C 98 57.490 56.570 0.920 1
1 1252 . 14 1 1 A 98 98 PHE CB C 98 38.550 42.079 -3.529 1
1 1256 . 14 1 1 A 98 98 PHE N N 98 120.718 118.370 2.348 1
1 1257 . 14 1 1 A 99 99 ARG H H 99 7.903 8.609 -0.706 1
1 1258 . 14 1 1 A 99 99 ARG HA H 99 4.283 4.332 -0.049 1
1 1265 . 14 1 1 A 99 99 ARG C C 99 175.680 176.131 -0.451 1
1 1266 . 14 1 1 A 99 99 ARG CA C 99 56.320 56.315 0.005 1
1 1267 . 14 1 1 A 99 99 ARG CB C 99 30.610 30.658 -0.048 1
1 1270 . 14 1 1 A 99 99 ARG N N 99 122.817 123.917 -1.100 1
1 1271 . 14 1 1 A 100 100 MET H H 100 8.133 8.469 -0.336 1
1 1272 . 14 1 1 A 100 100 MET HA H 100 4.843 4.953 -0.110 1
1 1280 . 14 1 1 A 100 100 MET C C 100 175.255 174.090 1.165 1
1 1281 . 14 1 1 A 100 100 MET CA C 100 52.343 54.129 -1.786 1
1 1282 . 14 1 1 A 100 100 MET CB C 100 34.410 37.470 -3.060 1
1 1285 . 14 1 1 A 100 100 MET N N 100 121.483 119.423 2.060 1
1 1286 . 14 1 1 A 101 101 VAL H H 101 8.471 8.476 -0.005 1
1 1287 . 14 1 1 A 101 101 VAL HA H 101 3.890 4.500 -0.610 1
1 1295 . 14 1 1 A 101 101 VAL C C 101 175.351 174.820 0.531 1
1 1296 . 14 1 1 A 101 101 VAL CA C 101 61.500 61.362 0.138 1
1 1297 . 14 1 1 A 101 101 VAL CB C 101 31.730 32.016 -0.286 1
1 1300 . 14 1 1 A 101 101 VAL N N 101 119.940 121.255 -1.315 1
1 1301 . 14 1 1 A 102 102 TYR H H 102 8.612 8.937 -0.325 1
1 1302 . 14 1 1 A 102 102 TYR HA H 102 4.938 4.881 0.057 1
1 1309 . 14 1 1 A 102 102 TYR C C 102 175.892 176.044 -0.152 1
1 1310 . 14 1 1 A 102 102 TYR CA C 102 57.140 57.533 -0.393 1
1 1311 . 14 1 1 A 102 102 TYR CB C 102 40.990 39.586 1.404 1
1 1314 . 14 1 1 A 102 102 TYR N N 102 126.390 126.755 -0.365 1
1 1315 . 14 1 1 A 103 103 ASP H H 103 8.071 9.191 -1.120 1
1 1316 . 14 1 1 A 103 103 ASP HA H 103 4.621 4.452 0.169 1
1 1319 . 14 1 1 A 103 103 ASP C C 103 176.220 175.510 0.710 1
1 1320 . 14 1 1 A 103 103 ASP CA C 103 55.050 54.914 0.136 1
1 1321 . 14 1 1 A 103 103 ASP CB C 103 40.220 39.283 0.937 1
1 1322 . 14 1 1 A 103 103 ASP N N 103 120.738 124.087 -3.349 1
1 1323 . 14 1 1 A 104 104 ASP H H 104 8.642 7.951 0.691 1
1 1324 . 14 1 1 A 104 104 ASP HA H 104 4.730 4.921 -0.191 1
1 1327 . 14 1 1 A 104 104 ASP C C 104 176.095 175.700 0.395 1
1 1328 . 14 1 1 A 104 104 ASP CA C 104 53.510 52.794 0.716 1
1 1329 . 14 1 1 A 104 104 ASP CB C 104 41.060 40.843 0.217 1
1 1330 . 14 1 1 A 104 104 ASP N N 104 121.582 125.563 -3.981 1
1 1331 . 14 1 1 A 105 105 THR H H 105 8.119 7.926 0.193 1
1 1332 . 14 1 1 A 105 105 THR HA H 105 4.389 4.076 0.313 1
1 1337 . 14 1 1 A 105 105 THR C C 105 173.508 174.082 -0.574 1
1 1338 . 14 1 1 A 105 105 THR CA C 105 61.580 65.383 -3.803 1
1 1339 . 14 1 1 A 105 105 THR CB C 105 69.840 69.294 0.546 1
1 1341 . 14 1 1 A 105 105 THR N N 105 113.632 116.598 -2.966 1
1 1342 . 14 1 1 A 106 106 CYS H H 106 8.013 7.974 0.039 1
1 1343 . 14 1 1 A 106 106 CYS N N 106 129.098 120.034 9.064 1
1 1344 . 14 1 1 A 107 107 ASP HA H 107 4.606 4.476 0.130 1
1 1347 . 14 1 1 A 107 107 ASP C C 107 176.075 175.774 0.301 1
1 1348 . 14 1 1 A 107 107 ASP CA C 107 54.790 55.858 -1.068 1
1 1349 . 14 1 1 A 107 107 ASP CB C 107 40.990 40.935 0.055 1
1 1350 . 14 1 1 A 108 108 LYS H H 108 8.216 8.069 0.147 1
1 1351 . 14 1 1 A 108 108 LYS HA H 108 4.326 3.899 0.427 1
1 1360 . 14 1 1 A 108 108 LYS C C 108 176.490 176.194 0.296 1
1 1361 . 14 1 1 A 108 108 LYS CA C 108 56.140 58.617 -2.477 1
1 1362 . 14 1 1 A 108 108 LYS CB C 108 32.910 30.265 2.645 1
1 1366 . 14 1 1 A 108 108 LYS N N 108 121.982 119.579 2.403 1
1 1367 . 14 1 1 A 109 109 LYS H H 109 8.411 8.415 -0.004 1
1 1368 . 14 1 1 A 109 109 LYS HA H 109 4.344 3.921 0.423 1
1 1377 . 14 1 1 A 109 109 LYS C C 109 175.583 174.889 0.694 1
1 1378 . 14 1 1 A 109 109 LYS CA C 109 56.150 57.034 -0.884 1
1 1379 . 14 1 1 A 109 109 LYS CB C 109 33.050 30.754 2.296 1
1 1383 . 14 1 1 A 109 109 LYS N N 109 122.966 116.307 6.659 1
1 14 . 15 1 1 A 2 2 LEU H H 2 8.858 7.556 1.302 1
1 15 . 15 1 1 A 2 2 LEU HA H 2 4.010 4.031 -0.021 1
1 25 . 15 1 1 A 2 2 LEU C C 2 179.512 178.098 1.414 1
1 26 . 15 1 1 A 2 2 LEU CA C 2 57.230 56.474 0.756 1
1 27 . 15 1 1 A 2 2 LEU CB C 2 41.500 41.264 0.236 1
1 31 . 15 1 1 A 2 2 LEU N N 2 124.589 118.155 6.434 1
1 32 . 15 1 1 A 3 3 GLU H H 3 9.299 9.031 0.268 1
1 33 . 15 1 1 A 3 3 GLU HA H 3 4.234 4.705 -0.471 1
1 38 . 15 1 1 A 3 3 GLU C C 3 178.189 177.570 0.619 1
1 39 . 15 1 1 A 3 3 GLU CA C 3 59.930 58.395 1.535 1
1 40 . 15 1 1 A 3 3 GLU CB C 3 28.810 27.812 0.998 1
1 42 . 15 1 1 A 3 3 GLU N N 3 118.833 121.791 -2.958 1
1 43 . 15 1 1 A 4 4 ASP H H 4 8.188 8.234 -0.046 1
1 44 . 15 1 1 A 4 4 ASP HA H 4 4.524 4.460 0.064 1
1 47 . 15 1 1 A 4 4 ASP C C 4 176.722 177.706 -0.984 1
1 48 . 15 1 1 A 4 4 ASP CA C 4 56.240 56.974 -0.734 1
1 49 . 15 1 1 A 4 4 ASP CB C 4 39.910 40.786 -0.876 1
1 50 . 15 1 1 A 4 4 ASP N N 4 118.286 120.416 -2.130 1
1 51 . 15 1 1 A 5 5 TYR H H 5 8.336 7.982 0.354 1
1 52 . 15 1 1 A 5 5 TYR HA H 5 4.284 4.555 -0.271 1
1 59 . 15 1 1 A 5 5 TYR C C 5 172.456 175.704 -3.248 1
1 60 . 15 1 1 A 5 5 TYR CA C 5 58.770 58.721 0.049 1
1 61 . 15 1 1 A 5 5 TYR CB C 5 37.820 37.786 0.034 1
1 64 . 15 1 1 A 5 5 TYR N N 5 119.641 116.663 2.978 1
1 65 . 15 1 1 A 6 6 ALA H H 6 6.748 7.035 -0.287 1
1 66 . 15 1 1 A 6 6 ALA HA H 6 3.470 3.238 0.232 1
1 70 . 15 1 1 A 6 6 ALA C C 6 178.122 176.304 1.818 1
1 71 . 15 1 1 A 6 6 ALA CA C 6 51.440 51.572 -0.132 1
1 72 . 15 1 1 A 6 6 ALA CB C 6 19.600 18.709 0.891 1
1 73 . 15 1 1 A 6 6 ALA N N 6 122.727 123.434 -0.707 1
1 74 . 15 1 1 A 7 7 ILE H H 7 8.665 8.149 0.516 1
1 75 . 15 1 1 A 7 7 ILE HA H 7 4.303 4.625 -0.322 1
1 85 . 15 1 1 A 7 7 ILE C C 7 174.386 175.585 -1.199 1
1 86 . 15 1 1 A 7 7 ILE CA C 7 58.640 60.056 -1.416 1
1 87 . 15 1 1 A 7 7 ILE CB C 7 39.820 38.555 1.265 1
1 91 . 15 1 1 A 7 7 ILE N N 7 124.318 124.170 0.148 1
1 92 . 15 1 1 A 8 8 SER H H 8 8.884 8.665 0.219 1
1 93 . 15 1 1 A 8 8 SER HA H 8 4.881 4.571 0.310 1
1 96 . 15 1 1 A 8 8 SER C C 8 176.268 175.401 0.867 1
1 97 . 15 1 1 A 8 8 SER CA C 8 57.157 57.978 -0.821 1
1 98 . 15 1 1 A 8 8 SER CB C 8 64.390 64.557 -0.167 1
1 99 . 15 1 1 A 8 8 SER N N 8 122.739 122.755 -0.016 1
1 100 . 15 1 1 A 9 9 LEU H H 9 8.077 8.269 -0.192 1
1 101 . 15 1 1 A 9 9 LEU HA H 9 3.652 3.987 -0.335 1
1 111 . 15 1 1 A 9 9 LEU C C 9 175.322 178.323 -3.001 1
1 112 . 15 1 1 A 9 9 LEU CA C 9 57.190 57.942 -0.752 1
1 113 . 15 1 1 A 9 9 LEU CB C 9 42.290 41.581 0.709 1
1 117 . 15 1 1 A 9 9 LEU N N 9 126.321 127.965 -1.644 1
1 118 . 15 1 1 A 10 10 GLU H H 10 8.361 9.586 -1.225 1
1 119 . 15 1 1 A 10 10 GLU HA H 10 3.754 4.470 -0.716 1
1 124 . 15 1 1 A 10 10 GLU C C 10 176.452 177.419 -0.967 1
1 125 . 15 1 1 A 10 10 GLU CA C 10 58.470 58.328 0.142 1
1 126 . 15 1 1 A 10 10 GLU CB C 10 29.480 27.891 1.589 1
1 128 . 15 1 1 A 10 10 GLU N N 10 112.911 117.440 -4.529 1
1 129 . 15 1 1 A 11 11 GLU H H 11 7.284 8.041 -0.757 1
1 130 . 15 1 1 A 11 11 GLU HA H 11 4.531 4.532 -0.001 1
1 135 . 15 1 1 A 11 11 GLU C C 11 176.539 176.278 0.261 1
1 136 . 15 1 1 A 11 11 GLU CA C 11 55.240 56.221 -0.981 1
1 137 . 15 1 1 A 11 11 GLU CB C 11 32.160 30.569 1.591 1
1 139 . 15 1 1 A 11 11 GLU N N 11 114.276 115.926 -1.650 1
1 140 . 15 1 1 A 12 12 VAL H H 12 7.077 7.077 0.000 1
1 141 . 15 1 1 A 12 12 VAL HA H 12 3.677 3.963 -0.286 1
1 149 . 15 1 1 A 12 12 VAL C C 12 173.900 175.032 -1.132 1
1 150 . 15 1 1 A 12 12 VAL CA C 12 62.510 62.206 0.304 1
1 151 . 15 1 1 A 12 12 VAL CB C 12 31.920 32.089 -0.169 1
1 154 . 15 1 1 A 12 12 VAL N N 12 121.932 121.485 0.447 1
1 155 . 15 1 1 A 13 13 ASN H H 13 7.996 8.493 -0.497 1
1 156 . 15 1 1 A 13 13 ASN HA H 13 4.840 5.193 -0.353 1
1 161 . 15 1 1 A 13 13 ASN C C 13 176.876 175.037 1.839 1
1 162 . 15 1 1 A 13 13 ASN CA C 13 52.168 51.434 0.734 1
1 163 . 15 1 1 A 13 13 ASN CB C 13 38.500 39.303 -0.803 1
1 164 . 15 1 1 A 13 13 ASN N N 13 121.232 125.602 -4.370 1
1 166 . 15 1 1 A 14 14 PHE H H 14 6.268 7.865 -1.597 1
1 167 . 15 1 1 A 14 14 PHE HA H 14 3.868 4.136 -0.268 1
1 175 . 15 1 1 A 14 14 PHE C C 14 176.423 177.684 -1.261 1
1 176 . 15 1 1 A 14 14 PHE CA C 14 62.520 60.493 2.027 1
1 177 . 15 1 1 A 14 14 PHE CB C 14 38.780 38.611 0.169 1
1 181 . 15 1 1 A 14 14 PHE N N 14 120.637 121.596 -0.959 1
1 182 . 15 1 1 A 15 15 ASN H H 15 8.184 8.239 -0.055 1
1 183 . 15 1 1 A 15 15 ASN HA H 15 4.602 4.606 -0.004 1
1 188 . 15 1 1 A 15 15 ASN C C 15 175.738 176.479 -0.741 1
1 189 . 15 1 1 A 15 15 ASN CA C 15 55.240 55.483 -0.243 1
1 190 . 15 1 1 A 15 15 ASN CB C 15 38.270 37.902 0.368 1
1 191 . 15 1 1 A 15 15 ASN N N 15 113.599 116.502 -2.903 1
1 193 . 15 1 1 A 16 16 ASP H H 16 7.680 7.425 0.255 1
1 194 . 15 1 1 A 16 16 ASP HA H 16 4.450 4.297 0.153 1
1 197 . 15 1 1 A 16 16 ASP C C 16 174.589 175.342 -0.753 1
1 198 . 15 1 1 A 16 16 ASP CA C 16 54.860 55.310 -0.450 1
1 199 . 15 1 1 A 16 16 ASP CB C 16 41.140 40.992 0.148 1
1 200 . 15 1 1 A 16 16 ASP N N 16 117.808 118.677 -0.869 1
1 201 . 15 1 1 A 17 17 PHE H H 17 7.648 7.149 0.499 1
1 202 . 15 1 1 A 17 17 PHE HA H 17 4.788 5.157 -0.369 1
1 210 . 15 1 1 A 17 17 PHE C C 17 175.516 175.384 0.132 1
1 211 . 15 1 1 A 17 17 PHE CA C 17 56.790 56.588 0.202 1
1 212 . 15 1 1 A 17 17 PHE CB C 17 44.090 42.791 1.299 1
1 216 . 15 1 1 A 17 17 PHE N N 17 116.207 115.974 0.233 1
1 217 . 15 1 1 A 18 18 ILE H H 18 8.674 9.111 -0.437 1
1 218 . 15 1 1 A 18 18 ILE HA H 18 4.335 4.514 -0.179 1
1 228 . 15 1 1 A 18 18 ILE C C 18 175.612 176.166 -0.554 1
1 229 . 15 1 1 A 18 18 ILE CA C 18 60.930 61.183 -0.253 1
1 230 . 15 1 1 A 18 18 ILE CB C 18 37.620 37.953 -0.333 1
1 234 . 15 1 1 A 18 18 ILE N N 18 121.498 122.846 -1.348 1
1 235 . 15 1 1 A 19 19 VAL H H 19 9.009 8.258 0.751 1
1 236 . 15 1 1 A 19 19 VAL HA H 19 4.760 4.792 -0.032 1
1 244 . 15 1 1 A 19 19 VAL C C 19 175.622 175.562 0.060 1
1 245 . 15 1 1 A 19 19 VAL CA C 19 62.974 61.636 1.338 1
1 246 . 15 1 1 A 19 19 VAL CB C 19 32.770 32.706 0.064 1
1 249 . 15 1 1 A 19 19 VAL N N 19 129.378 128.132 1.246 1
1 250 . 15 1 1 A 20 20 VAL H H 20 9.606 9.038 0.568 1
1 251 . 15 1 1 A 20 20 VAL HA H 20 4.581 4.519 0.062 1
1 259 . 15 1 1 A 20 20 VAL C C 20 172.234 174.536 -2.302 1
1 260 . 15 1 1 A 20 20 VAL CA C 20 60.660 60.804 -0.144 1
1 261 . 15 1 1 A 20 20 VAL CB C 20 33.910 35.115 -1.205 1
1 264 . 15 1 1 A 20 20 VAL N N 20 131.965 127.396 4.569 1
1 265 . 15 1 1 A 21 21 ASP H H 21 8.367 8.780 -0.413 1
1 266 . 15 1 1 A 21 21 ASP HA H 21 4.105 4.326 -0.221 1
1 269 . 15 1 1 A 21 21 ASP C C 21 176.182 175.295 0.887 1
1 270 . 15 1 1 A 21 21 ASP CA C 21 50.850 53.023 -2.173 1
1 271 . 15 1 1 A 21 21 ASP CB C 21 43.460 41.038 2.422 1
1 272 . 15 1 1 A 21 21 ASP N N 21 129.516 127.797 1.719 1
1 273 . 15 1 1 A 22 22 VAL H H 22 8.095 8.089 0.006 1
1 274 . 15 1 1 A 22 22 VAL HA H 22 5.720 4.814 0.906 1
1 282 . 15 1 1 A 22 22 VAL C C 22 178.006 174.600 3.406 1
1 283 . 15 1 1 A 22 22 VAL CA C 22 58.990 61.507 -2.517 1
1 284 . 15 1 1 A 22 22 VAL CB C 22 30.150 31.039 -0.889 1
1 287 . 15 1 1 A 22 22 VAL N N 22 114.833 120.287 -5.454 1
1 288 . 15 1 1 A 23 23 ARG H H 23 7.467 8.092 -0.625 1
1 289 . 15 1 1 A 23 23 ARG HA H 23 4.358 4.552 -0.194 1
1 299 . 15 1 1 A 23 23 ARG C C 23 172.157 175.979 -3.822 1
1 300 . 15 1 1 A 23 23 ARG CA C 23 56.190 56.300 -0.110 1
1 301 . 15 1 1 A 23 23 ARG CB C 23 31.230 32.076 -0.846 1
1 304 . 15 1 1 A 23 23 ARG N N 23 120.418 125.293 -4.875 1
1 307 . 15 1 1 A 24 24 GLU H H 24 7.372 7.530 -0.158 1
1 308 . 15 1 1 A 24 24 GLU HA H 24 4.454 4.725 -0.271 1
1 313 . 15 1 1 A 24 24 GLU C C 24 178.807 176.335 2.472 1
1 314 . 15 1 1 A 24 24 GLU CA C 24 53.870 54.972 -1.102 1
1 315 . 15 1 1 A 24 24 GLU CB C 24 31.610 34.085 -2.475 1
1 317 . 15 1 1 A 24 24 GLU N N 24 111.001 116.134 -5.133 1
1 318 . 15 1 1 A 25 25 LEU H H 25 8.842 8.497 0.345 1
1 319 . 15 1 1 A 25 25 LEU HA H 25 3.922 4.017 -0.095 1
1 329 . 15 1 1 A 25 25 LEU C C 25 177.591 177.609 -0.018 1
1 330 . 15 1 1 A 25 25 LEU CA C 25 58.800 57.922 0.878 1
1 331 . 15 1 1 A 25 25 LEU CB C 25 42.000 41.342 0.658 1
1 335 . 15 1 1 A 25 25 LEU N N 25 122.468 125.541 -3.073 1
1 336 . 15 1 1 A 26 26 ASP H H 26 8.671 8.150 0.521 1
1 337 . 15 1 1 A 26 26 ASP HA H 26 4.389 4.268 0.121 1
1 340 . 15 1 1 A 26 26 ASP C C 26 178.739 178.052 0.687 1
1 341 . 15 1 1 A 26 26 ASP CA C 26 56.540 57.890 -1.350 1
1 342 . 15 1 1 A 26 26 ASP CB C 26 39.570 42.289 -2.719 1
1 343 . 15 1 1 A 26 26 ASP N N 26 114.189 119.295 -5.106 1
1 344 . 15 1 1 A 27 27 GLU H H 27 7.235 8.343 -1.108 1
1 345 . 15 1 1 A 27 27 GLU HA H 27 4.304 4.111 0.193 1
1 350 . 15 1 1 A 27 27 GLU C C 27 177.678 178.636 -0.958 1
1 351 . 15 1 1 A 27 27 GLU CA C 27 58.830 59.298 -0.468 1
1 352 . 15 1 1 A 27 27 GLU CB C 27 30.650 29.005 1.645 1
1 354 . 15 1 1 A 27 27 GLU N N 27 120.618 117.614 3.004 1
1 355 . 15 1 1 A 28 28 TYR H H 28 7.703 7.792 -0.089 1
1 356 . 15 1 1 A 28 28 TYR HA H 28 4.149 3.720 0.429 1
1 363 . 15 1 1 A 28 28 TYR C C 28 177.108 177.665 -0.557 1
1 364 . 15 1 1 A 28 28 TYR CA C 28 60.600 61.360 -0.760 1
1 365 . 15 1 1 A 28 28 TYR CB C 28 39.300 38.678 0.622 1
1 370 . 15 1 1 A 28 28 TYR N N 28 121.871 121.617 0.254 1
1 371 . 15 1 1 A 29 29 GLU H H 29 8.727 7.914 0.813 1
1 372 . 15 1 1 A 29 29 GLU HA H 29 3.823 4.167 -0.344 1
1 377 . 15 1 1 A 29 29 GLU C C 29 177.456 178.861 -1.405 1
1 378 . 15 1 1 A 29 29 GLU CA C 29 58.770 59.398 -0.628 1
1 379 . 15 1 1 A 29 29 GLU CB C 29 29.880 29.645 0.235 1
1 381 . 15 1 1 A 29 29 GLU N N 29 116.326 118.843 -2.517 1
1 382 . 15 1 1 A 30 30 GLU H H 30 7.225 8.003 -0.778 1
1 383 . 15 1 1 A 30 30 GLU HA H 30 4.219 4.304 -0.085 1
1 388 . 15 1 1 A 30 30 GLU C C 30 177.012 176.600 0.412 1
1 389 . 15 1 1 A 30 30 GLU CA C 30 59.750 58.494 1.256 1
1 390 . 15 1 1 A 30 30 GLU CB C 30 29.310 29.544 -0.234 1
1 392 . 15 1 1 A 30 30 GLU N N 30 119.394 116.481 2.913 1
1 393 . 15 1 1 A 31 31 LEU H H 31 7.512 7.830 -0.318 1
1 394 . 15 1 1 A 31 31 LEU HA H 31 5.102 4.888 0.214 1
1 404 . 15 1 1 A 31 31 LEU C C 31 173.363 175.035 -1.672 1
1 405 . 15 1 1 A 31 31 LEU CA C 31 55.760 53.593 2.167 1
1 406 . 15 1 1 A 31 31 LEU CB C 31 42.880 44.844 -1.964 1
1 410 . 15 1 1 A 31 31 LEU N N 31 118.039 116.735 1.304 1
1 411 . 15 1 1 A 32 32 HIS H H 32 8.196 8.252 -0.056 1
1 412 . 15 1 1 A 32 32 HIS HA H 32 4.433 5.102 -0.669 1
1 417 . 15 1 1 A 32 32 HIS C C 32 171.973 172.228 -0.255 1
1 418 . 15 1 1 A 32 32 HIS CA C 32 54.660 54.218 0.442 1
1 419 . 15 1 1 A 32 32 HIS CB C 32 31.500 31.628 -0.128 1
1 422 . 15 1 1 A 32 32 HIS N N 32 114.425 115.816 -1.391 1
1 423 . 15 1 1 A 33 33 LEU H H 33 10.099 8.730 1.369 1
1 424 . 15 1 1 A 33 33 LEU HA H 33 4.745 4.252 0.493 1
1 434 . 15 1 1 A 33 33 LEU CA C 33 53.423 52.971 0.452 1
1 435 . 15 1 1 A 33 33 LEU CB C 33 42.750 41.514 1.236 1
1 439 . 15 1 1 A 33 33 LEU N N 33 124.819 120.479 4.340 1
1 440 . 15 1 1 A 34 34 PRO HA H 34 4.328 4.350 -0.022 1
1 447 . 15 1 1 A 34 34 PRO C C 34 177.012 176.950 0.062 1
1 448 . 15 1 1 A 34 34 PRO CA C 34 64.440 64.341 0.099 1
1 449 . 15 1 1 A 34 34 PRO CB C 34 31.660 31.685 -0.025 1
1 452 . 15 1 1 A 35 35 ASN H H 35 8.736 8.162 0.574 1
1 453 . 15 1 1 A 35 35 ASN HA H 35 4.701 4.947 -0.246 1
1 458 . 15 1 1 A 35 35 ASN C C 35 174.801 174.771 0.030 1
1 459 . 15 1 1 A 35 35 ASN CA C 35 53.470 52.882 0.588 1
1 460 . 15 1 1 A 35 35 ASN CB C 35 37.650 39.089 -1.439 1
1 461 . 15 1 1 A 35 35 ASN N N 35 113.231 115.350 -2.119 1
1 463 . 15 1 1 A 36 36 ALA H H 36 7.434 7.359 0.075 1
1 464 . 15 1 1 A 36 36 ALA HA H 36 4.523 4.680 -0.157 1
1 468 . 15 1 1 A 36 36 ALA C C 36 177.494 176.727 0.767 1
1 469 . 15 1 1 A 36 36 ALA CA C 36 52.700 50.589 2.111 1
1 470 . 15 1 1 A 36 36 ALA CB C 36 21.760 20.667 1.093 1
1 471 . 15 1 1 A 36 36 ALA N N 36 122.419 123.200 -0.781 1
1 472 . 15 1 1 A 37 37 THR H H 37 8.334 8.681 -0.347 1
1 473 . 15 1 1 A 37 37 THR HA H 37 4.184 4.352 -0.168 1
1 479 . 15 1 1 A 37 37 THR C C 37 172.359 174.206 -1.847 1
1 480 . 15 1 1 A 37 37 THR CA C 37 63.020 63.220 -0.200 1
1 481 . 15 1 1 A 37 37 THR CB C 37 69.800 68.875 0.925 1
1 483 . 15 1 1 A 37 37 THR N N 37 121.183 119.089 2.094 1
1 484 . 15 1 1 A 38 38 LEU H H 38 8.306 8.491 -0.185 1
1 485 . 15 1 1 A 38 38 LEU HA H 38 4.815 4.332 0.483 1
1 495 . 15 1 1 A 38 38 LEU C C 38 176.529 175.008 1.521 1
1 496 . 15 1 1 A 38 38 LEU CA C 38 53.873 55.177 -1.304 1
1 497 . 15 1 1 A 38 38 LEU CB C 38 41.830 41.809 0.021 1
1 501 . 15 1 1 A 38 38 LEU N N 38 130.981 130.144 0.837 1
1 502 . 15 1 1 A 39 39 ILE H H 39 8.612 8.074 0.538 1
1 503 . 15 1 1 A 39 39 ILE HA H 39 3.779 4.634 -0.855 1
1 513 . 15 1 1 A 39 39 ILE C C 39 172.186 174.603 -2.417 1
1 514 . 15 1 1 A 39 39 ILE CA C 39 62.040 59.828 2.212 1
1 515 . 15 1 1 A 39 39 ILE CB C 39 40.360 42.251 -1.891 1
1 519 . 15 1 1 A 39 39 ILE N N 39 131.100 129.027 2.073 1
1 520 . 15 1 1 A 40 40 SER H H 40 8.123 8.724 -0.601 1
1 521 . 15 1 1 A 40 40 SER HA H 40 3.904 4.541 -0.637 1
1 524 . 15 1 1 A 40 40 SER C C 40 177.629 175.614 2.015 1
1 525 . 15 1 1 A 40 40 SER CA C 40 58.810 58.277 0.533 1
1 526 . 15 1 1 A 40 40 SER CB C 40 63.090 63.990 -0.900 1
1 527 . 15 1 1 A 40 40 SER N N 40 118.068 122.276 -4.208 1
1 528 . 15 1 1 A 41 41 VAL H H 41 7.739 8.470 -0.731 1
1 529 . 15 1 1 A 41 41 VAL HA H 41 3.913 3.888 0.025 1
1 537 . 15 1 1 A 41 41 VAL C C 41 174.714 177.270 -2.556 1
1 538 . 15 1 1 A 41 41 VAL CA C 41 58.990 64.841 -5.851 1
1 539 . 15 1 1 A 41 41 VAL CB C 41 31.730 31.801 -0.071 1
1 542 . 15 1 1 A 41 41 VAL N N 41 124.290 126.166 -1.876 1
1 543 . 15 1 1 A 42 42 ASN H H 42 8.344 8.614 -0.270 1
1 544 . 15 1 1 A 42 42 ASN HA H 42 4.630 4.572 0.058 1
1 549 . 15 1 1 A 42 42 ASN C C 42 175.699 175.770 -0.071 1
1 550 . 15 1 1 A 42 42 ASN CA C 42 54.860 54.748 0.112 1
1 551 . 15 1 1 A 42 42 ASN CB C 42 38.610 37.281 1.329 1
1 552 . 15 1 1 A 42 42 ASN N N 42 116.715 116.432 0.283 1
1 554 . 15 1 1 A 43 43 ASP H H 43 8.417 7.478 0.939 1
1 555 . 15 1 1 A 43 43 ASP HA H 43 5.021 4.877 0.144 1
1 558 . 15 1 1 A 43 43 ASP C C 43 175.699 175.953 -0.254 1
1 559 . 15 1 1 A 43 43 ASP CA C 43 52.300 52.876 -0.576 1
1 560 . 15 1 1 A 43 43 ASP CB C 43 39.540 38.633 0.907 1
1 561 . 15 1 1 A 43 43 ASP N N 43 125.038 120.106 4.932 1
1 562 . 15 1 1 A 44 44 GLN H H 44 7.762 8.183 -0.421 1
1 563 . 15 1 1 A 44 44 GLN HA H 44 3.815 4.053 -0.238 1
1 570 . 15 1 1 A 44 44 GLN C C 44 178.430 178.435 -0.005 1
1 571 . 15 1 1 A 44 44 GLN CA C 44 59.650 58.952 0.698 1
1 572 . 15 1 1 A 44 44 GLN CB C 44 28.760 28.163 0.597 1
1 574 . 15 1 1 A 44 44 GLN N N 44 119.490 122.751 -3.261 1
1 576 . 15 1 1 A 45 45 GLU H H 45 8.705 8.373 0.332 1
1 577 . 15 1 1 A 45 45 GLU HA H 45 4.059 4.071 -0.012 1
1 582 . 15 1 1 A 45 45 GLU C C 45 178.739 178.820 -0.081 1
1 583 . 15 1 1 A 45 45 GLU CA C 45 59.660 59.372 0.288 1
1 584 . 15 1 1 A 45 45 GLU CB C 45 28.900 29.100 -0.200 1
1 586 . 15 1 1 A 45 45 GLU N N 45 119.373 118.703 0.670 1
1 587 . 15 1 1 A 46 46 LYS H H 46 7.545 7.747 -0.202 1
1 588 . 15 1 1 A 46 46 LYS HA H 46 4.119 4.155 -0.036 1
1 597 . 15 1 1 A 46 46 LYS C C 46 179.579 178.657 0.922 1
1 598 . 15 1 1 A 46 46 LYS CA C 46 58.940 59.178 -0.238 1
1 599 . 15 1 1 A 46 46 LYS CB C 46 32.750 32.221 0.529 1
1 603 . 15 1 1 A 46 46 LYS N N 46 120.645 119.921 0.724 1
1 604 . 15 1 1 A 47 47 LEU H H 47 8.005 7.798 0.207 1
1 605 . 15 1 1 A 47 47 LEU HA H 47 4.059 4.053 0.006 1
1 615 . 15 1 1 A 47 47 LEU C C 47 177.436 178.320 -0.884 1
1 616 . 15 1 1 A 47 47 LEU CA C 47 58.090 57.801 0.289 1
1 617 . 15 1 1 A 47 47 LEU CB C 47 41.150 41.350 -0.200 1
1 621 . 15 1 1 A 47 47 LEU N N 47 122.201 121.430 0.771 1
1 622 . 15 1 1 A 48 48 ALA H H 48 8.239 8.377 -0.138 1
1 623 . 15 1 1 A 48 48 ALA HA H 48 3.733 3.753 -0.020 1
1 627 . 15 1 1 A 48 48 ALA C C 48 179.347 179.165 0.182 1
1 628 . 15 1 1 A 48 48 ALA CA C 48 55.420 55.226 0.194 1
1 629 . 15 1 1 A 48 48 ALA CB C 48 18.240 18.073 0.167 1
1 630 . 15 1 1 A 48 48 ALA N N 48 121.483 120.808 0.675 1
1 631 . 15 1 1 A 49 49 ASP H H 49 8.001 7.906 0.095 1
1 632 . 15 1 1 A 49 49 ASP HA H 49 4.308 4.328 -0.020 1
1 635 . 15 1 1 A 49 49 ASP C C 49 179.106 178.122 0.984 1
1 636 . 15 1 1 A 49 49 ASP CA C 49 57.350 57.172 0.178 1
1 637 . 15 1 1 A 49 49 ASP CB C 49 41.250 41.675 -0.425 1
1 638 . 15 1 1 A 49 49 ASP N N 49 117.231 118.606 -1.375 1
1 639 . 15 1 1 A 50 50 PHE H H 50 8.265 8.171 0.094 1
1 640 . 15 1 1 A 50 50 PHE HA H 50 4.101 4.075 0.026 1
1 647 . 15 1 1 A 50 50 PHE C C 50 179.048 176.985 2.063 1
1 648 . 15 1 1 A 50 50 PHE CA C 50 62.590 61.038 1.552 1
1 649 . 15 1 1 A 50 50 PHE CB C 50 39.810 39.327 0.483 1
1 651 . 15 1 1 A 50 50 PHE N N 50 122.379 120.224 2.155 1
1 652 . 15 1 1 A 51 51 LEU H H 51 8.653 7.779 0.874 1
1 653 . 15 1 1 A 51 51 LEU HA H 51 3.789 3.792 -0.003 1
1 663 . 15 1 1 A 51 51 LEU C C 51 180.400 178.165 2.235 1
1 664 . 15 1 1 A 51 51 LEU CA C 51 58.140 56.786 1.354 1
1 665 . 15 1 1 A 51 51 LEU CB C 51 38.770 41.273 -2.503 1
1 669 . 15 1 1 A 51 51 LEU N N 51 120.277 119.267 1.010 1
1 670 . 15 1 1 A 52 52 SER H H 52 8.332 7.730 0.602 1
1 671 . 15 1 1 A 52 52 SER HA H 52 4.160 4.379 -0.219 1
1 674 . 15 1 1 A 52 52 SER C C 52 176.220 176.996 -0.776 1
1 675 . 15 1 1 A 52 52 SER CA C 52 61.840 60.986 0.854 1
1 676 . 15 1 1 A 52 52 SER CB C 52 62.850 63.039 -0.189 1
1 677 . 15 1 1 A 52 52 SER N N 52 115.630 114.877 0.753 1
1 678 . 15 1 1 A 53 53 GLN H H 53 7.405 7.522 -0.117 1
1 679 . 15 1 1 A 53 53 GLN HA H 53 4.092 4.105 -0.013 1
1 686 . 15 1 1 A 53 53 GLN C C 53 176.046 176.273 -0.227 1
1 687 . 15 1 1 A 53 53 GLN CA C 53 56.560 58.740 -2.180 1
1 688 . 15 1 1 A 53 53 GLN CB C 53 28.580 28.737 -0.157 1
1 690 . 15 1 1 A 53 53 GLN N N 53 119.056 118.430 0.626 1
1 692 . 15 1 1 A 54 54 HIS H H 54 7.311 7.707 -0.396 1
1 693 . 15 1 1 A 54 54 HIS HA H 54 4.754 4.960 -0.206 1
1 696 . 15 1 1 A 54 54 HIS C C 54 175.467 175.059 0.408 1
1 697 . 15 1 1 A 54 54 HIS CA C 54 55.562 54.480 1.082 1
1 698 . 15 1 1 A 54 54 HIS CB C 54 29.650 33.031 -3.381 1
1 699 . 15 1 1 A 54 54 HIS N N 54 117.800 115.561 2.239 1
1 700 . 15 1 1 A 55 55 LYS H H 55 7.646 8.612 -0.966 1
1 701 . 15 1 1 A 55 55 LYS HA H 55 4.296 4.345 -0.049 1
1 710 . 15 1 1 A 55 55 LYS C C 55 176.741 177.331 -0.590 1
1 711 . 15 1 1 A 55 55 LYS CA C 55 58.710 58.492 0.218 1
1 712 . 15 1 1 A 55 55 LYS CB C 55 32.370 32.990 -0.620 1
1 716 . 15 1 1 A 55 55 LYS N N 55 119.903 122.826 -2.923 1
1 717 . 15 1 1 A 56 56 ASP H H 56 8.853 7.631 1.222 1
1 718 . 15 1 1 A 56 56 ASP HA H 56 4.655 4.809 -0.154 1
1 721 . 15 1 1 A 56 56 ASP C C 56 175.158 174.685 0.473 1
1 722 . 15 1 1 A 56 56 ASP CA C 56 53.930 53.367 0.563 1
1 723 . 15 1 1 A 56 56 ASP CB C 56 40.220 39.929 0.291 1
1 724 . 15 1 1 A 56 56 ASP N N 56 116.429 119.065 -2.636 1
1 725 . 15 1 1 A 57 57 LYS H H 57 7.655 8.114 -0.459 1
1 726 . 15 1 1 A 57 57 LYS HA H 57 4.701 5.069 -0.368 1
1 735 . 15 1 1 A 57 57 LYS C C 57 175.236 174.393 0.843 1
1 736 . 15 1 1 A 57 57 LYS CA C 57 53.830 54.991 -1.161 1
1 737 . 15 1 1 A 57 57 LYS CB C 57 35.550 35.973 -0.423 1
1 741 . 15 1 1 A 57 57 LYS N N 57 119.510 121.331 -1.821 1
1 742 . 15 1 1 A 58 58 LYS H H 58 8.265 8.589 -0.324 1
1 743 . 15 1 1 A 58 58 LYS HA H 58 4.745 4.877 -0.132 1
1 752 . 15 1 1 A 58 58 LYS C C 58 175.651 175.346 0.305 1
1 753 . 15 1 1 A 58 58 LYS CA C 58 56.870 55.798 1.072 1
1 754 . 15 1 1 A 58 58 LYS CB C 58 33.250 33.579 -0.329 1
1 758 . 15 1 1 A 58 58 LYS N N 58 120.091 123.394 -3.303 1
1 759 . 15 1 1 A 59 59 VAL H H 59 9.233 9.265 -0.032 1
1 760 . 15 1 1 A 59 59 VAL HA H 59 5.231 5.310 -0.079 1
1 768 . 15 1 1 A 59 59 VAL C C 59 173.556 174.046 -0.490 1
1 769 . 15 1 1 A 59 59 VAL CA C 59 60.930 61.083 -0.153 1
1 770 . 15 1 1 A 59 59 VAL CB C 59 34.300 34.623 -0.323 1
1 772 . 15 1 1 A 59 59 VAL N N 59 127.047 126.801 0.246 1
1 773 . 15 1 1 A 60 60 LEU H H 60 9.228 8.994 0.234 1
1 774 . 15 1 1 A 60 60 LEU HA H 60 4.815 5.138 -0.323 1
1 784 . 15 1 1 A 60 60 LEU C C 60 173.421 174.888 -1.467 1
1 785 . 15 1 1 A 60 60 LEU CA C 60 52.586 53.493 -0.907 1
1 786 . 15 1 1 A 60 60 LEU CB C 60 45.660 45.190 0.470 1
1 790 . 15 1 1 A 60 60 LEU N N 60 129.197 129.657 -0.460 1
1 791 . 15 1 1 A 61 61 LEU H H 61 9.055 9.055 0.000 1
1 792 . 15 1 1 A 61 61 LEU HA H 61 5.713 4.948 0.765 1
1 802 . 15 1 1 A 61 61 LEU C C 61 176.683 176.722 -0.039 1
1 803 . 15 1 1 A 61 61 LEU CA C 61 52.760 54.103 -1.343 1
1 804 . 15 1 1 A 61 61 LEU CB C 61 43.220 41.297 1.923 1
1 808 . 15 1 1 A 61 61 LEU N N 61 125.903 128.996 -3.093 1
1 809 . 15 1 1 A 62 62 HIS H H 62 9.148 9.070 0.078 1
1 810 . 15 1 1 A 62 62 HIS HA H 62 5.440 5.605 -0.165 1
1 816 . 15 1 1 A 62 62 HIS C C 62 172.301 173.753 -1.452 1
1 817 . 15 1 1 A 62 62 HIS CA C 62 54.580 53.851 0.729 1
1 818 . 15 1 1 A 62 62 HIS CB C 62 33.980 32.355 1.625 1
1 821 . 15 1 1 A 62 62 HIS N N 62 119.183 121.732 -2.549 1
1 823 . 15 1 1 A 63 63 CYS H H 63 9.389 8.103 1.286 1
1 824 . 15 1 1 A 63 63 CYS HA H 63 5.021 4.788 0.233 1
1 827 . 15 1 1 A 63 63 CYS C C 63 177.649 175.362 2.287 1
1 828 . 15 1 1 A 63 63 CYS CA C 63 56.460 57.266 -0.806 1
1 829 . 15 1 1 A 63 63 CYS CB C 63 29.400 30.624 -1.224 1
1 830 . 15 1 1 A 63 63 CYS N N 63 120.896 119.512 1.384 1
1 831 . 15 1 1 A 64 64 ARG H H 64 8.658 8.853 -0.195 1
1 832 . 15 1 1 A 64 64 ARG HA H 64 4.425 3.859 0.566 1
1 839 . 15 1 1 A 64 64 ARG C C 64 174.724 177.653 -2.929 1
1 840 . 15 1 1 A 64 64 ARG CA C 64 59.000 59.485 -0.485 1
1 841 . 15 1 1 A 64 64 ARG CB C 64 30.820 29.996 0.824 1
1 844 . 15 1 1 A 64 64 ARG N N 64 130.651 126.394 4.257 1
1 845 . 15 1 1 A 65 65 ALA H H 65 8.166 7.614 0.552 1
1 846 . 15 1 1 A 65 65 ALA HA H 65 5.399 4.480 0.919 1
1 850 . 15 1 1 A 65 65 ALA C C 65 177.909 177.322 0.587 1
1 851 . 15 1 1 A 65 65 ALA CA C 65 52.020 53.275 -1.255 1
1 852 . 15 1 1 A 65 65 ALA CB C 65 20.270 21.209 -0.939 1
1 853 . 15 1 1 A 65 65 ALA N N 65 118.548 119.321 -0.773 1
1 854 . 15 1 1 A 66 66 GLY H H 66 9.300 7.173 2.127 1
1 855 . 15 1 1 A 66 66 GLY HA2 H 66 4.872 4.103 0.769 1
1 856 . 15 1 1 A 66 66 GLY HA3 H 66 4.450 4.119 0.331 1
1 857 . 15 1 1 A 66 66 GLY C C 66 176.761 174.971 1.790 1
1 858 . 15 1 1 A 66 66 GLY CA C 66 46.630 45.599 1.031 1
1 859 . 15 1 1 A 66 66 GLY N N 66 114.644 105.852 8.792 1
1 860 . 15 1 1 A 67 67 ARG H H 67 8.118 8.056 0.062 1
1 861 . 15 1 1 A 67 67 ARG HA H 67 4.141 4.084 0.057 1
1 871 . 15 1 1 A 67 67 ARG C C 67 178.691 178.920 -0.229 1
1 872 . 15 1 1 A 67 67 ARG CA C 67 60.930 58.465 2.465 1
1 873 . 15 1 1 A 67 67 ARG CB C 67 31.240 29.818 1.422 1
1 876 . 15 1 1 A 67 67 ARG N N 67 121.922 121.880 0.042 1
1 879 . 15 1 1 A 68 68 ARG H H 68 9.366 8.031 1.335 1
1 880 . 15 1 1 A 68 68 ARG HA H 68 4.282 4.012 0.270 1
1 887 . 15 1 1 A 68 68 ARG C C 68 178.681 179.018 -0.337 1
1 888 . 15 1 1 A 68 68 ARG CA C 68 59.410 58.846 0.564 1
1 889 . 15 1 1 A 68 68 ARG CB C 68 30.760 29.737 1.023 1
1 892 . 15 1 1 A 68 68 ARG N N 68 123.821 118.995 4.826 1
1 893 . 15 1 1 A 69 69 ALA H H 69 10.112 8.096 2.016 1
1 894 . 15 1 1 A 69 69 ALA HA H 69 3.800 4.094 -0.294 1
1 898 . 15 1 1 A 69 69 ALA C C 69 178.334 179.981 -1.647 1
1 899 . 15 1 1 A 69 69 ALA CA C 69 55.960 55.225 0.735 1
1 900 . 15 1 1 A 69 69 ALA CB C 69 17.730 18.719 -0.989 1
1 901 . 15 1 1 A 69 69 ALA N N 69 125.465 122.109 3.356 1
1 902 . 15 1 1 A 70 70 LEU H H 70 7.746 7.712 0.034 1
1 903 . 15 1 1 A 70 70 LEU HA H 70 3.340 3.070 0.270 1
1 913 . 15 1 1 A 70 70 LEU C C 70 177.996 177.798 0.198 1
1 914 . 15 1 1 A 70 70 LEU CA C 70 57.950 57.773 0.177 1
1 915 . 15 1 1 A 70 70 LEU CB C 70 40.720 41.431 -0.711 1
1 919 . 15 1 1 A 70 70 LEU N N 70 118.427 119.455 -1.028 1
1 920 . 15 1 1 A 71 71 ASP H H 71 7.662 8.371 -0.709 1
1 921 . 15 1 1 A 71 71 ASP HA H 71 4.236 4.140 0.096 1
1 924 . 15 1 1 A 71 71 ASP C C 71 179.560 178.034 1.526 1
1 925 . 15 1 1 A 71 71 ASP CA C 71 57.880 57.902 -0.022 1
1 926 . 15 1 1 A 71 71 ASP CB C 71 40.340 41.830 -1.490 1
1 927 . 15 1 1 A 71 71 ASP N N 71 120.180 118.660 1.520 1
1 928 . 15 1 1 A 72 72 ALA H H 72 8.796 7.806 0.990 1
1 929 . 15 1 1 A 72 72 ALA HA H 72 4.101 4.045 0.056 1
1 933 . 15 1 1 A 72 72 ALA C C 72 179.203 179.680 -0.477 1
1 934 . 15 1 1 A 72 72 ALA CA C 72 54.670 55.114 -0.444 1
1 935 . 15 1 1 A 72 72 ALA CB C 72 18.490 17.962 0.528 1
1 936 . 15 1 1 A 72 72 ALA N N 72 122.299 120.540 1.759 1
1 937 . 15 1 1 A 73 73 ALA H H 73 8.672 7.664 1.008 1
1 938 . 15 1 1 A 73 73 ALA HA H 73 3.758 4.113 -0.355 1
1 942 . 15 1 1 A 73 73 ALA C C 73 179.251 179.685 -0.434 1
1 943 . 15 1 1 A 73 73 ALA CA C 73 55.950 55.081 0.869 1
1 944 . 15 1 1 A 73 73 ALA CB C 73 17.660 18.297 -0.637 1
1 945 . 15 1 1 A 73 73 ALA N N 73 121.294 120.007 1.287 1
1 946 . 15 1 1 A 74 74 LYS H H 74 8.914 7.945 0.969 1
1 947 . 15 1 1 A 74 74 LYS HA H 74 3.790 3.887 -0.097 1
1 956 . 15 1 1 A 74 74 LYS C C 74 179.589 179.533 0.056 1
1 957 . 15 1 1 A 74 74 LYS CA C 74 60.620 59.333 1.287 1
1 958 . 15 1 1 A 74 74 LYS CB C 74 32.330 32.335 -0.005 1
1 962 . 15 1 1 A 74 74 LYS N N 74 119.404 118.003 1.401 1
1 963 . 15 1 1 A 75 75 SER H H 75 7.874 7.886 -0.012 1
1 964 . 15 1 1 A 75 75 SER HA H 75 4.272 4.129 0.143 1
1 967 . 15 1 1 A 75 75 SER C C 75 176.944 176.861 0.083 1
1 968 . 15 1 1 A 75 75 SER CA C 75 61.840 61.916 -0.076 1
1 969 . 15 1 1 A 75 75 SER CB C 75 62.990 62.748 0.242 1
1 970 . 15 1 1 A 75 75 SER N N 75 114.306 116.494 -2.188 1
1 971 . 15 1 1 A 76 76 MET H H 76 8.401 7.831 0.570 1
1 972 . 15 1 1 A 76 76 MET HA H 76 4.881 4.266 0.615 1
1 980 . 15 1 1 A 76 76 MET C C 76 179.811 178.847 0.964 1
1 981 . 15 1 1 A 76 76 MET CA C 76 56.060 58.984 -2.924 1
1 982 . 15 1 1 A 76 76 MET CB C 76 34.780 33.525 1.255 1
1 985 . 15 1 1 A 76 76 MET N N 76 119.510 119.923 -0.413 1
1 986 . 15 1 1 A 77 77 HIS H H 77 9.450 8.287 1.163 1
1 987 . 15 1 1 A 77 77 HIS HA H 77 5.148 4.731 0.417 1
1 992 . 15 1 1 A 77 77 HIS C C 77 181.596 177.955 3.641 1
1 993 . 15 1 1 A 77 77 HIS CA C 77 59.550 59.426 0.124 1
1 994 . 15 1 1 A 77 77 HIS CB C 77 30.720 29.640 1.080 1
1 997 . 15 1 1 A 77 77 HIS N N 77 123.245 117.801 5.444 1
1 998 . 15 1 1 A 78 78 GLU H H 78 7.832 8.107 -0.275 1
1 999 . 15 1 1 A 78 78 GLU HA H 78 4.159 4.049 0.110 1
1 1004 . 15 1 1 A 78 78 GLU C C 78 177.909 178.859 -0.950 1
1 1005 . 15 1 1 A 78 78 GLU CA C 78 59.110 59.102 0.008 1
1 1006 . 15 1 1 A 78 78 GLU CB C 78 29.380 29.263 0.117 1
1 1008 . 15 1 1 A 78 78 GLU N N 78 121.124 120.110 1.014 1
1 1009 . 15 1 1 A 79 79 LEU H H 79 7.161 7.422 -0.261 1
1 1010 . 15 1 1 A 79 79 LEU HA H 79 4.360 4.132 0.228 1
1 1020 . 15 1 1 A 79 79 LEU C C 79 176.934 176.732 0.202 1
1 1021 . 15 1 1 A 79 79 LEU CA C 79 54.820 55.474 -0.654 1
1 1022 . 15 1 1 A 79 79 LEU CB C 79 43.300 42.549 0.751 1
1 1026 . 15 1 1 A 79 79 LEU N N 79 116.655 118.084 -1.429 1
1 1027 . 15 1 1 A 80 80 GLY H H 80 7.545 7.453 0.092 1
1 1028 . 15 1 1 A 80 80 GLY HA2 H 80 4.101 3.826 0.275 1
1 1029 . 15 1 1 A 80 80 GLY HA3 H 80 3.580 3.916 -0.336 1
1 1030 . 15 1 1 A 80 80 GLY C C 80 174.116 174.014 0.102 1
1 1031 . 15 1 1 A 80 80 GLY CA C 80 45.010 44.717 0.293 1
1 1032 . 15 1 1 A 80 80 GLY N N 80 105.216 105.404 -0.188 1
1 1033 . 15 1 1 A 81 81 TYR H H 81 7.519 7.647 -0.128 1
1 1034 . 15 1 1 A 81 81 TYR HA H 81 4.727 4.490 0.237 1
1 1041 . 15 1 1 A 81 81 TYR C C 81 174.377 174.658 -0.281 1
1 1042 . 15 1 1 A 81 81 TYR CA C 81 56.960 58.099 -1.139 1
1 1043 . 15 1 1 A 81 81 TYR CB C 81 40.310 39.664 0.646 1
1 1046 . 15 1 1 A 81 81 TYR N N 81 119.660 119.786 -0.126 1
1 1047 . 15 1 1 A 82 82 THR H H 82 8.786 8.740 0.046 1
1 1048 . 15 1 1 A 82 82 THR HA H 82 3.390 3.580 -0.190 1
1 1053 . 15 1 1 A 82 82 THR CA C 82 57.030 58.240 -1.210 1
1 1054 . 15 1 1 A 82 82 THR CB C 82 68.740 68.729 0.011 1
1 1056 . 15 1 1 A 82 82 THR N N 82 105.368 113.750 -8.382 1
1 1057 . 15 1 1 A 83 83 PRO HA H 83 5.003 4.718 0.285 1
1 1064 . 15 1 1 A 83 83 PRO C C 83 175.699 176.108 -0.409 1
1 1065 . 15 1 1 A 83 83 PRO CA C 83 63.140 62.331 0.809 1
1 1066 . 15 1 1 A 83 83 PRO CB C 83 31.570 32.157 -0.587 1
1 1069 . 15 1 1 A 84 84 TYR H H 84 9.497 8.547 0.950 1
1 1070 . 15 1 1 A 84 84 TYR HA H 84 5.482 5.146 0.336 1
1 1077 . 15 1 1 A 84 84 TYR C C 84 175.506 175.299 0.207 1
1 1078 . 15 1 1 A 84 84 TYR CA C 84 57.570 57.684 -0.114 1
1 1079 . 15 1 1 A 84 84 TYR CB C 84 40.500 39.718 0.782 1
1 1082 . 15 1 1 A 84 84 TYR N N 84 119.880 120.043 -0.163 1
1 1083 . 15 1 1 A 85 85 TYR H H 85 8.570 8.398 0.172 1
1 1084 . 15 1 1 A 85 85 TYR HA H 85 5.730 5.791 -0.061 1
1 1089 . 15 1 1 A 85 85 TYR C C 85 172.215 172.380 -0.165 1
1 1090 . 15 1 1 A 85 85 TYR CA C 85 55.240 55.696 -0.456 1
1 1091 . 15 1 1 A 85 85 TYR CB C 85 40.830 41.901 -1.071 1
1 1093 . 15 1 1 A 85 85 TYR N N 85 116.764 118.154 -1.390 1
1 1094 . 15 1 1 A 86 86 LEU H H 86 8.196 9.187 -0.991 1
1 1095 . 15 1 1 A 86 86 LEU HA H 86 4.881 5.328 -0.447 1
1 1105 . 15 1 1 A 86 86 LEU C C 86 177.552 174.835 2.717 1
1 1106 . 15 1 1 A 86 86 LEU CA C 86 53.376 53.550 -0.174 1
1 1107 . 15 1 1 A 86 86 LEU CB C 86 44.360 45.181 -0.821 1
1 1111 . 15 1 1 A 86 86 LEU N N 86 121.589 123.511 -1.922 1
1 1112 . 15 1 1 A 87 87 GLU H H 87 9.146 8.594 0.552 1
1 1113 . 15 1 1 A 87 87 GLU HA H 87 4.797 4.861 -0.064 1
1 1118 . 15 1 1 A 87 87 GLU C C 87 174.965 176.242 -1.277 1
1 1119 . 15 1 1 A 87 87 GLU CA C 87 55.405 55.942 -0.537 1
1 1120 . 15 1 1 A 87 87 GLU CB C 87 30.010 29.868 0.142 1
1 1122 . 15 1 1 A 87 87 GLU N N 87 128.779 126.759 2.020 1
1 1123 . 15 1 1 A 88 88 GLY H H 88 7.349 8.088 -0.739 1
1 1124 . 15 1 1 A 88 88 GLY HA2 H 88 4.110 4.242 -0.132 1
1 1125 . 15 1 1 A 88 88 GLY HA3 H 88 4.023 4.336 -0.313 1
1 1126 . 15 1 1 A 88 88 GLY C C 88 170.593 172.079 -1.486 1
1 1127 . 15 1 1 A 88 88 GLY CA C 88 44.970 45.619 -0.649 1
1 1128 . 15 1 1 A 88 88 GLY N N 88 112.564 110.857 1.707 1
1 1129 . 15 1 1 A 89 89 ASN H H 89 8.756 8.675 0.081 1
1 1130 . 15 1 1 A 89 89 ASN HA H 89 5.722 5.087 0.635 1
1 1135 . 15 1 1 A 89 89 ASN C C 89 176.336 175.967 0.369 1
1 1136 . 15 1 1 A 89 89 ASN CA C 89 52.210 53.504 -1.294 1
1 1137 . 15 1 1 A 89 89 ASN CB C 89 40.950 39.426 1.524 1
1 1138 . 15 1 1 A 89 89 ASN N N 89 121.363 118.792 2.571 1
1 1140 . 15 1 1 A 90 90 VAL H H 90 8.928 8.135 0.793 1
1 1141 . 15 1 1 A 90 90 VAL HA H 90 4.425 2.065 2.360 1
1 1149 . 15 1 1 A 90 90 VAL C C 90 175.660 176.356 -0.696 1
1 1150 . 15 1 1 A 90 90 VAL CA C 90 58.930 64.098 -5.168 1
1 1151 . 15 1 1 A 90 90 VAL CB C 90 30.860 31.456 -0.596 1
1 1154 . 15 1 1 A 90 90 VAL N N 90 128.990 126.058 2.932 1
1 1155 . 15 1 1 A 91 91 TYR H H 91 8.330 7.380 0.950 1
1 1156 . 15 1 1 A 91 91 TYR HA H 91 4.016 4.246 -0.230 1
1 1163 . 15 1 1 A 91 91 TYR C C 91 175.718 177.037 -1.319 1
1 1164 . 15 1 1 A 91 91 TYR CA C 91 61.700 61.850 -0.150 1
1 1165 . 15 1 1 A 91 91 TYR CB C 91 36.580 37.565 -0.985 1
1 1168 . 15 1 1 A 91 91 TYR N N 91 119.510 119.264 0.246 1
1 1169 . 15 1 1 A 92 92 ASP H H 92 8.654 7.869 0.785 1
1 1170 . 15 1 1 A 92 92 ASP HA H 92 5.146 4.794 0.352 1
1 1173 . 15 1 1 A 92 92 ASP C C 92 177.224 177.928 -0.704 1
1 1174 . 15 1 1 A 92 92 ASP CA C 92 54.290 55.564 -1.274 1
1 1175 . 15 1 1 A 92 92 ASP CB C 92 42.670 41.277 1.393 1
1 1176 . 15 1 1 A 92 92 ASP N N 92 117.541 120.683 -3.142 1
1 1177 . 15 1 1 A 93 93 PHE H H 93 7.673 7.621 0.052 1
1 1178 . 15 1 1 A 93 93 PHE HA H 93 4.688 4.488 0.200 1
1 1186 . 15 1 1 A 93 93 PHE C C 93 179.270 178.636 0.634 1
1 1187 . 15 1 1 A 93 93 PHE CA C 93 60.340 61.934 -1.594 1
1 1188 . 15 1 1 A 93 93 PHE CB C 93 36.010 38.583 -2.573 1
1 1192 . 15 1 1 A 93 93 PHE N N 93 123.205 117.866 5.339 1
1 1193 . 15 1 1 A 94 94 GLU H H 94 9.164 8.672 0.492 1
1 1194 . 15 1 1 A 94 94 GLU HA H 94 4.676 4.133 0.543 1
1 1199 . 15 1 1 A 94 94 GLU C C 94 180.805 179.024 1.781 1
1 1200 . 15 1 1 A 94 94 GLU CA C 94 59.240 60.072 -0.832 1
1 1201 . 15 1 1 A 94 94 GLU CB C 94 29.640 29.502 0.138 1
1 1203 . 15 1 1 A 94 94 GLU N N 94 118.657 118.778 -0.121 1
1 1204 . 15 1 1 A 95 95 LYS H H 95 8.005 8.347 -0.342 1
1 1205 . 15 1 1 A 95 95 LYS HA H 95 4.103 4.190 -0.087 1
1 1214 . 15 1 1 A 95 95 LYS C C 95 177.948 177.281 0.667 1
1 1215 . 15 1 1 A 95 95 LYS CA C 95 58.680 58.597 0.083 1
1 1216 . 15 1 1 A 95 95 LYS CB C 95 31.690 31.491 0.199 1
1 1220 . 15 1 1 A 95 95 LYS N N 95 121.494 119.393 2.101 1
1 1221 . 15 1 1 A 96 96 TYR H H 96 7.710 7.674 0.036 1
1 1222 . 15 1 1 A 96 96 TYR HA H 96 4.332 4.623 -0.291 1
1 1229 . 15 1 1 A 96 96 TYR C C 96 174.550 175.640 -1.090 1
1 1230 . 15 1 1 A 96 96 TYR CA C 96 59.370 58.090 1.280 1
1 1231 . 15 1 1 A 96 96 TYR CB C 96 38.340 38.776 -0.436 1
1 1234 . 15 1 1 A 96 96 TYR N N 96 117.421 118.769 -1.348 1
1 1235 . 15 1 1 A 97 97 GLY H H 97 7.796 7.678 0.118 1
1 1236 . 15 1 1 A 97 97 GLY HA2 H 97 3.966 3.718 0.248 1
1 1237 . 15 1 1 A 97 97 GLY HA3 H 97 3.580 3.880 -0.300 1
1 1238 . 15 1 1 A 97 97 GLY C C 97 173.662 174.108 -0.446 1
1 1239 . 15 1 1 A 97 97 GLY CA C 97 45.160 44.955 0.205 1
1 1240 . 15 1 1 A 97 97 GLY N N 97 105.806 107.138 -1.332 1
1 1241 . 15 1 1 A 98 98 PHE H H 98 7.323 7.867 -0.544 1
1 1242 . 15 1 1 A 98 98 PHE HA H 98 4.644 4.558 0.086 1
1 1250 . 15 1 1 A 98 98 PHE C C 98 173.353 175.460 -2.107 1
1 1251 . 15 1 1 A 98 98 PHE CA C 98 57.490 58.010 -0.520 1
1 1252 . 15 1 1 A 98 98 PHE CB C 98 38.550 39.401 -0.851 1
1 1256 . 15 1 1 A 98 98 PHE N N 98 120.718 119.457 1.261 1
1 1257 . 15 1 1 A 99 99 ARG H H 99 7.903 8.500 -0.597 1
1 1258 . 15 1 1 A 99 99 ARG HA H 99 4.283 4.248 0.035 1
1 1265 . 15 1 1 A 99 99 ARG C C 99 175.680 176.073 -0.393 1
1 1266 . 15 1 1 A 99 99 ARG CA C 99 56.320 56.279 0.041 1
1 1267 . 15 1 1 A 99 99 ARG CB C 99 30.610 30.528 0.082 1
1 1270 . 15 1 1 A 99 99 ARG N N 99 122.817 123.996 -1.179 1
1 1271 . 15 1 1 A 100 100 MET H H 100 8.133 8.703 -0.570 1
1 1272 . 15 1 1 A 100 100 MET HA H 100 4.843 4.778 0.065 1
1 1280 . 15 1 1 A 100 100 MET C C 100 175.255 173.933 1.322 1
1 1281 . 15 1 1 A 100 100 MET CA C 100 52.343 54.302 -1.959 1
1 1282 . 15 1 1 A 100 100 MET CB C 100 34.410 36.799 -2.389 1
1 1285 . 15 1 1 A 100 100 MET N N 100 121.483 120.248 1.235 1
1 1286 . 15 1 1 A 101 101 VAL H H 101 8.471 8.304 0.167 1
1 1287 . 15 1 1 A 101 101 VAL HA H 101 3.890 4.673 -0.783 1
1 1295 . 15 1 1 A 101 101 VAL C C 101 175.351 174.834 0.517 1
1 1296 . 15 1 1 A 101 101 VAL CA C 101 61.500 60.937 0.563 1
1 1297 . 15 1 1 A 101 101 VAL CB C 101 31.730 32.688 -0.958 1
1 1300 . 15 1 1 A 101 101 VAL N N 101 119.940 118.314 1.626 1
1 1301 . 15 1 1 A 102 102 TYR H H 102 8.612 8.946 -0.334 1
1 1302 . 15 1 1 A 102 102 TYR HA H 102 4.938 4.988 -0.050 1
1 1309 . 15 1 1 A 102 102 TYR C C 102 175.892 176.172 -0.280 1
1 1310 . 15 1 1 A 102 102 TYR CA C 102 57.140 57.034 0.106 1
1 1311 . 15 1 1 A 102 102 TYR CB C 102 40.990 40.367 0.623 1
1 1314 . 15 1 1 A 102 102 TYR N N 102 126.390 126.978 -0.588 1
1 1315 . 15 1 1 A 103 103 ASP H H 103 8.071 9.285 -1.214 1
1 1316 . 15 1 1 A 103 103 ASP HA H 103 4.621 4.455 0.166 1
1 1319 . 15 1 1 A 103 103 ASP C C 103 176.220 176.373 -0.153 1
1 1320 . 15 1 1 A 103 103 ASP CA C 103 55.050 54.848 0.202 1
1 1321 . 15 1 1 A 103 103 ASP CB C 103 40.220 40.253 -0.033 1
1 1322 . 15 1 1 A 103 103 ASP N N 103 120.738 123.546 -2.808 1
1 1323 . 15 1 1 A 104 104 ASP H H 104 8.642 7.609 1.033 1
1 1324 . 15 1 1 A 104 104 ASP HA H 104 4.730 4.574 0.156 1
1 1327 . 15 1 1 A 104 104 ASP C C 104 176.095 176.446 -0.351 1
1 1328 . 15 1 1 A 104 104 ASP CA C 104 53.510 54.974 -1.464 1
1 1329 . 15 1 1 A 104 104 ASP CB C 104 41.060 41.041 0.019 1
1 1330 . 15 1 1 A 104 104 ASP N N 104 121.582 119.748 1.834 1
1 1331 . 15 1 1 A 105 105 THR H H 105 8.119 7.228 0.891 1
1 1332 . 15 1 1 A 105 105 THR HA H 105 4.389 4.280 0.109 1
1 1337 . 15 1 1 A 105 105 THR C C 105 173.508 174.754 -1.246 1
1 1338 . 15 1 1 A 105 105 THR CA C 105 61.580 62.786 -1.206 1
1 1339 . 15 1 1 A 105 105 THR CB C 105 69.840 69.516 0.324 1
1 1341 . 15 1 1 A 105 105 THR N N 105 113.632 113.816 -0.184 1
1 1342 . 15 1 1 A 106 106 CYS H H 106 8.013 8.576 -0.563 1
1 1343 . 15 1 1 A 106 106 CYS N N 106 129.098 124.976 4.122 1
1 1344 . 15 1 1 A 107 107 ASP HA H 107 4.606 5.250 -0.644 1
1 1347 . 15 1 1 A 107 107 ASP C C 107 176.075 175.636 0.439 1
1 1348 . 15 1 1 A 107 107 ASP CA C 107 54.790 52.692 2.098 1
1 1349 . 15 1 1 A 107 107 ASP CB C 107 40.990 44.482 -3.492 1
1 1350 . 15 1 1 A 108 108 LYS H H 108 8.216 8.536 -0.320 1
1 1351 . 15 1 1 A 108 108 LYS HA H 108 4.326 4.710 -0.384 1
1 1360 . 15 1 1 A 108 108 LYS C C 108 176.490 176.322 0.168 1
1 1361 . 15 1 1 A 108 108 LYS CA C 108 56.140 55.679 0.461 1
1 1362 . 15 1 1 A 108 108 LYS CB C 108 32.910 33.229 -0.319 1
1 1366 . 15 1 1 A 108 108 LYS N N 108 121.982 121.850 0.132 1
1 1367 . 15 1 1 A 109 109 LYS H H 109 8.411 7.440 0.971 1
1 1368 . 15 1 1 A 109 109 LYS HA H 109 4.344 4.576 -0.232 1
1 1377 . 15 1 1 A 109 109 LYS C C 109 175.583 175.229 0.354 1
1 1378 . 15 1 1 A 109 109 LYS CA C 109 56.150 55.706 0.444 1
1 1379 . 15 1 1 A 109 109 LYS CB C 109 33.050 31.019 2.031 1
1 1383 . 15 1 1 A 109 109 LYS N N 109 122.966 120.983 1.983 1
1 14 . 16 1 1 A 2 2 LEU H H 2 8.858 8.486 0.372 1
1 15 . 16 1 1 A 2 2 LEU HA H 2 4.010 4.311 -0.301 1
1 25 . 16 1 1 A 2 2 LEU C C 2 179.512 178.220 1.292 1
1 26 . 16 1 1 A 2 2 LEU CA C 2 57.230 55.624 1.606 1
1 27 . 16 1 1 A 2 2 LEU CB C 2 41.500 41.028 0.472 1
1 31 . 16 1 1 A 2 2 LEU N N 2 124.589 122.400 2.189 1
1 32 . 16 1 1 A 3 3 GLU H H 3 9.299 8.901 0.398 1
1 33 . 16 1 1 A 3 3 GLU HA H 3 4.234 4.386 -0.152 1
1 38 . 16 1 1 A 3 3 GLU C C 3 178.189 177.916 0.273 1
1 39 . 16 1 1 A 3 3 GLU CA C 3 59.930 58.843 1.087 1
1 40 . 16 1 1 A 3 3 GLU CB C 3 28.810 28.636 0.174 1
1 42 . 16 1 1 A 3 3 GLU N N 3 118.833 121.688 -2.855 1
1 43 . 16 1 1 A 4 4 ASP H H 4 8.188 8.308 -0.120 1
1 44 . 16 1 1 A 4 4 ASP HA H 4 4.524 4.400 0.124 1
1 47 . 16 1 1 A 4 4 ASP C C 4 176.722 177.568 -0.846 1
1 48 . 16 1 1 A 4 4 ASP CA C 4 56.240 57.006 -0.766 1
1 49 . 16 1 1 A 4 4 ASP CB C 4 39.910 40.590 -0.680 1
1 50 . 16 1 1 A 4 4 ASP N N 4 118.286 120.244 -1.958 1
1 51 . 16 1 1 A 5 5 TYR H H 5 8.336 7.800 0.536 1
1 52 . 16 1 1 A 5 5 TYR HA H 5 4.284 4.596 -0.312 1
1 59 . 16 1 1 A 5 5 TYR C C 5 172.456 175.698 -3.242 1
1 60 . 16 1 1 A 5 5 TYR CA C 5 58.770 58.838 -0.068 1
1 61 . 16 1 1 A 5 5 TYR CB C 5 37.820 37.949 -0.129 1
1 64 . 16 1 1 A 5 5 TYR N N 5 119.641 116.282 3.359 1
1 65 . 16 1 1 A 6 6 ALA H H 6 6.748 7.274 -0.526 1
1 66 . 16 1 1 A 6 6 ALA HA H 6 3.470 3.210 0.260 1
1 70 . 16 1 1 A 6 6 ALA C C 6 178.122 176.841 1.281 1
1 71 . 16 1 1 A 6 6 ALA CA C 6 51.440 52.112 -0.672 1
1 72 . 16 1 1 A 6 6 ALA CB C 6 19.600 18.909 0.691 1
1 73 . 16 1 1 A 6 6 ALA N N 6 122.727 122.521 0.206 1
1 74 . 16 1 1 A 7 7 ILE H H 7 8.665 8.296 0.369 1
1 75 . 16 1 1 A 7 7 ILE HA H 7 4.303 4.678 -0.375 1
1 85 . 16 1 1 A 7 7 ILE C C 7 174.386 174.756 -0.370 1
1 86 . 16 1 1 A 7 7 ILE CA C 7 58.640 59.835 -1.195 1
1 87 . 16 1 1 A 7 7 ILE CB C 7 39.820 40.581 -0.761 1
1 91 . 16 1 1 A 7 7 ILE N N 7 124.318 123.744 0.574 1
1 92 . 16 1 1 A 8 8 SER H H 8 8.884 8.769 0.115 1
1 93 . 16 1 1 A 8 8 SER HA H 8 4.881 4.504 0.377 1
1 96 . 16 1 1 A 8 8 SER C C 8 176.268 175.479 0.789 1
1 97 . 16 1 1 A 8 8 SER CA C 8 57.157 58.343 -1.186 1
1 98 . 16 1 1 A 8 8 SER CB C 8 64.390 64.396 -0.006 1
1 99 . 16 1 1 A 8 8 SER N N 8 122.739 122.800 -0.061 1
1 100 . 16 1 1 A 9 9 LEU H H 9 8.077 8.678 -0.601 1
1 101 . 16 1 1 A 9 9 LEU HA H 9 3.652 3.885 -0.233 1
1 111 . 16 1 1 A 9 9 LEU C C 9 175.322 178.414 -3.092 1
1 112 . 16 1 1 A 9 9 LEU CA C 9 57.190 58.178 -0.988 1
1 113 . 16 1 1 A 9 9 LEU CB C 9 42.290 41.328 0.962 1
1 117 . 16 1 1 A 9 9 LEU N N 9 126.321 127.950 -1.629 1
1 118 . 16 1 1 A 10 10 GLU H H 10 8.361 9.437 -1.076 1
1 119 . 16 1 1 A 10 10 GLU HA H 10 3.754 4.452 -0.698 1
1 124 . 16 1 1 A 10 10 GLU C C 10 176.452 177.075 -0.623 1
1 125 . 16 1 1 A 10 10 GLU CA C 10 58.470 58.211 0.259 1
1 126 . 16 1 1 A 10 10 GLU CB C 10 29.480 27.989 1.491 1
1 128 . 16 1 1 A 10 10 GLU N N 10 112.911 117.417 -4.506 1
1 129 . 16 1 1 A 11 11 GLU H H 11 7.284 8.053 -0.769 1
1 130 . 16 1 1 A 11 11 GLU HA H 11 4.531 4.495 0.036 1
1 135 . 16 1 1 A 11 11 GLU C C 11 176.539 175.952 0.587 1
1 136 . 16 1 1 A 11 11 GLU CA C 11 55.240 56.030 -0.790 1
1 137 . 16 1 1 A 11 11 GLU CB C 11 32.160 30.697 1.463 1
1 139 . 16 1 1 A 11 11 GLU N N 11 114.276 115.705 -1.429 1
1 140 . 16 1 1 A 12 12 VAL H H 12 7.077 7.362 -0.285 1
1 141 . 16 1 1 A 12 12 VAL HA H 12 3.677 4.185 -0.508 1
1 149 . 16 1 1 A 12 12 VAL C C 12 173.900 174.110 -0.210 1
1 150 . 16 1 1 A 12 12 VAL CA C 12 62.510 61.311 1.199 1
1 151 . 16 1 1 A 12 12 VAL CB C 12 31.920 32.680 -0.760 1
1 154 . 16 1 1 A 12 12 VAL N N 12 121.932 120.908 1.024 1
1 155 . 16 1 1 A 13 13 ASN H H 13 7.996 8.514 -0.518 1
1 156 . 16 1 1 A 13 13 ASN HA H 13 4.840 5.172 -0.332 1
1 161 . 16 1 1 A 13 13 ASN C C 13 176.876 174.993 1.883 1
1 162 . 16 1 1 A 13 13 ASN CA C 13 52.168 51.400 0.768 1
1 163 . 16 1 1 A 13 13 ASN CB C 13 38.500 39.323 -0.823 1
1 164 . 16 1 1 A 13 13 ASN N N 13 121.232 125.341 -4.109 1
1 166 . 16 1 1 A 14 14 PHE H H 14 6.268 7.948 -1.680 1
1 167 . 16 1 1 A 14 14 PHE HA H 14 3.868 4.113 -0.245 1
1 175 . 16 1 1 A 14 14 PHE C C 14 176.423 178.094 -1.671 1
1 176 . 16 1 1 A 14 14 PHE CA C 14 62.520 60.817 1.703 1
1 177 . 16 1 1 A 14 14 PHE CB C 14 38.780 38.580 0.200 1
1 181 . 16 1 1 A 14 14 PHE N N 14 120.637 121.644 -1.007 1
1 182 . 16 1 1 A 15 15 ASN H H 15 8.184 8.721 -0.537 1
1 183 . 16 1 1 A 15 15 ASN HA H 15 4.602 4.393 0.209 1
1 188 . 16 1 1 A 15 15 ASN C C 15 175.738 177.129 -1.391 1
1 189 . 16 1 1 A 15 15 ASN CA C 15 55.240 55.469 -0.229 1
1 190 . 16 1 1 A 15 15 ASN CB C 15 38.270 37.081 1.189 1
1 191 . 16 1 1 A 15 15 ASN N N 15 113.599 116.199 -2.600 1
1 193 . 16 1 1 A 16 16 ASP H H 16 7.680 7.354 0.326 1
1 194 . 16 1 1 A 16 16 ASP HA H 16 4.450 4.281 0.169 1
1 197 . 16 1 1 A 16 16 ASP C C 16 174.589 175.321 -0.732 1
1 198 . 16 1 1 A 16 16 ASP CA C 16 54.860 55.611 -0.751 1
1 199 . 16 1 1 A 16 16 ASP CB C 16 41.140 41.457 -0.317 1
1 200 . 16 1 1 A 16 16 ASP N N 16 117.808 118.707 -0.899 1
1 201 . 16 1 1 A 17 17 PHE H H 17 7.648 7.140 0.508 1
1 202 . 16 1 1 A 17 17 PHE HA H 17 4.788 5.052 -0.264 1
1 210 . 16 1 1 A 17 17 PHE C C 17 175.516 175.618 -0.102 1
1 211 . 16 1 1 A 17 17 PHE CA C 17 56.790 56.592 0.198 1
1 212 . 16 1 1 A 17 17 PHE CB C 17 44.090 41.610 2.480 1
1 216 . 16 1 1 A 17 17 PHE N N 17 116.207 115.820 0.387 1
1 217 . 16 1 1 A 18 18 ILE H H 18 8.674 9.012 -0.338 1
1 218 . 16 1 1 A 18 18 ILE HA H 18 4.335 4.503 -0.168 1
1 228 . 16 1 1 A 18 18 ILE C C 18 175.612 175.956 -0.344 1
1 229 . 16 1 1 A 18 18 ILE CA C 18 60.930 61.439 -0.509 1
1 230 . 16 1 1 A 18 18 ILE CB C 18 37.620 37.660 -0.040 1
1 234 . 16 1 1 A 18 18 ILE N N 18 121.498 123.428 -1.930 1
1 235 . 16 1 1 A 19 19 VAL H H 19 9.009 8.366 0.643 1
1 236 . 16 1 1 A 19 19 VAL HA H 19 4.760 4.752 0.008 1
1 244 . 16 1 1 A 19 19 VAL C C 19 175.622 175.367 0.255 1
1 245 . 16 1 1 A 19 19 VAL CA C 19 62.974 62.035 0.939 1
1 246 . 16 1 1 A 19 19 VAL CB C 19 32.770 32.302 0.468 1
1 249 . 16 1 1 A 19 19 VAL N N 19 129.378 128.550 0.828 1
1 250 . 16 1 1 A 20 20 VAL H H 20 9.606 8.897 0.709 1
1 251 . 16 1 1 A 20 20 VAL HA H 20 4.581 4.539 0.042 1
1 259 . 16 1 1 A 20 20 VAL C C 20 172.234 174.486 -2.252 1
1 260 . 16 1 1 A 20 20 VAL CA C 20 60.660 60.680 -0.020 1
1 261 . 16 1 1 A 20 20 VAL CB C 20 33.910 35.140 -1.230 1
1 264 . 16 1 1 A 20 20 VAL N N 20 131.965 126.529 5.436 1
1 265 . 16 1 1 A 21 21 ASP H H 21 8.367 8.812 -0.445 1
1 266 . 16 1 1 A 21 21 ASP HA H 21 4.105 4.299 -0.194 1
1 269 . 16 1 1 A 21 21 ASP C C 21 176.182 175.278 0.904 1
1 270 . 16 1 1 A 21 21 ASP CA C 21 50.850 53.005 -2.155 1
1 271 . 16 1 1 A 21 21 ASP CB C 21 43.460 41.054 2.406 1
1 272 . 16 1 1 A 21 21 ASP N N 21 129.516 127.799 1.717 1
1 273 . 16 1 1 A 22 22 VAL H H 22 8.095 7.964 0.131 1
1 274 . 16 1 1 A 22 22 VAL HA H 22 5.720 4.857 0.863 1
1 282 . 16 1 1 A 22 22 VAL C C 22 178.006 174.643 3.363 1
1 283 . 16 1 1 A 22 22 VAL CA C 22 58.990 61.372 -2.382 1
1 284 . 16 1 1 A 22 22 VAL CB C 22 30.150 31.158 -1.008 1
1 287 . 16 1 1 A 22 22 VAL N N 22 114.833 120.372 -5.539 1
1 288 . 16 1 1 A 23 23 ARG H H 23 7.467 8.057 -0.590 1
1 289 . 16 1 1 A 23 23 ARG HA H 23 4.358 4.564 -0.206 1
1 299 . 16 1 1 A 23 23 ARG C C 23 172.157 176.011 -3.854 1
1 300 . 16 1 1 A 23 23 ARG CA C 23 56.190 56.412 -0.222 1
1 301 . 16 1 1 A 23 23 ARG CB C 23 31.230 32.264 -1.034 1
1 304 . 16 1 1 A 23 23 ARG N N 23 120.418 125.245 -4.827 1
1 307 . 16 1 1 A 24 24 GLU H H 24 7.372 7.403 -0.031 1
1 308 . 16 1 1 A 24 24 GLU HA H 24 4.454 4.585 -0.131 1
1 313 . 16 1 1 A 24 24 GLU C C 24 178.807 176.160 2.647 1
1 314 . 16 1 1 A 24 24 GLU CA C 24 53.870 55.855 -1.985 1
1 315 . 16 1 1 A 24 24 GLU CB C 24 31.610 33.392 -1.782 1
1 317 . 16 1 1 A 24 24 GLU N N 24 111.001 115.382 -4.381 1
1 318 . 16 1 1 A 25 25 LEU H H 25 8.842 8.618 0.224 1
1 319 . 16 1 1 A 25 25 LEU HA H 25 3.922 3.989 -0.067 1
1 329 . 16 1 1 A 25 25 LEU C C 25 177.591 177.563 0.028 1
1 330 . 16 1 1 A 25 25 LEU CA C 25 58.800 58.224 0.576 1
1 331 . 16 1 1 A 25 25 LEU CB C 25 42.000 41.429 0.571 1
1 335 . 16 1 1 A 25 25 LEU N N 25 122.468 126.290 -3.822 1
1 336 . 16 1 1 A 26 26 ASP H H 26 8.671 8.201 0.470 1
1 337 . 16 1 1 A 26 26 ASP HA H 26 4.389 4.232 0.157 1
1 340 . 16 1 1 A 26 26 ASP C C 26 178.739 178.022 0.717 1
1 341 . 16 1 1 A 26 26 ASP CA C 26 56.540 57.996 -1.456 1
1 342 . 16 1 1 A 26 26 ASP CB C 26 39.570 42.085 -2.515 1
1 343 . 16 1 1 A 26 26 ASP N N 26 114.189 119.328 -5.139 1
1 344 . 16 1 1 A 27 27 GLU H H 27 7.235 8.409 -1.174 1
1 345 . 16 1 1 A 27 27 GLU HA H 27 4.304 4.104 0.200 1
1 350 . 16 1 1 A 27 27 GLU C C 27 177.678 178.634 -0.956 1
1 351 . 16 1 1 A 27 27 GLU CA C 27 58.830 59.353 -0.523 1
1 352 . 16 1 1 A 27 27 GLU CB C 27 30.650 29.135 1.515 1
1 354 . 16 1 1 A 27 27 GLU N N 27 120.618 117.560 3.058 1
1 355 . 16 1 1 A 28 28 TYR H H 28 7.703 7.836 -0.133 1
1 356 . 16 1 1 A 28 28 TYR HA H 28 4.149 3.781 0.368 1
1 363 . 16 1 1 A 28 28 TYR C C 28 177.108 177.815 -0.707 1
1 364 . 16 1 1 A 28 28 TYR CA C 28 60.600 61.250 -0.650 1
1 365 . 16 1 1 A 28 28 TYR CB C 28 39.300 38.872 0.428 1
1 370 . 16 1 1 A 28 28 TYR N N 28 121.871 121.816 0.055 1
1 371 . 16 1 1 A 29 29 GLU H H 29 8.727 7.846 0.881 1
1 372 . 16 1 1 A 29 29 GLU HA H 29 3.823 4.122 -0.299 1
1 377 . 16 1 1 A 29 29 GLU C C 29 177.456 178.673 -1.217 1
1 378 . 16 1 1 A 29 29 GLU CA C 29 58.770 59.372 -0.602 1
1 379 . 16 1 1 A 29 29 GLU CB C 29 29.880 29.918 -0.038 1
1 381 . 16 1 1 A 29 29 GLU N N 29 116.326 118.752 -2.426 1
1 382 . 16 1 1 A 30 30 GLU H H 30 7.225 8.026 -0.801 1
1 383 . 16 1 1 A 30 30 GLU HA H 30 4.219 4.279 -0.060 1
1 388 . 16 1 1 A 30 30 GLU C C 30 177.012 176.545 0.467 1
1 389 . 16 1 1 A 30 30 GLU CA C 30 59.750 58.653 1.097 1
1 390 . 16 1 1 A 30 30 GLU CB C 30 29.310 29.393 -0.083 1
1 392 . 16 1 1 A 30 30 GLU N N 30 119.394 117.142 2.252 1
1 393 . 16 1 1 A 31 31 LEU H H 31 7.512 8.118 -0.606 1
1 394 . 16 1 1 A 31 31 LEU HA H 31 5.102 4.750 0.352 1
1 404 . 16 1 1 A 31 31 LEU C C 31 173.363 174.991 -1.628 1
1 405 . 16 1 1 A 31 31 LEU CA C 31 55.760 53.614 2.146 1
1 406 . 16 1 1 A 31 31 LEU CB C 31 42.880 44.993 -2.113 1
1 410 . 16 1 1 A 31 31 LEU N N 31 118.039 116.896 1.143 1
1 411 . 16 1 1 A 32 32 HIS H H 32 8.196 8.329 -0.133 1
1 412 . 16 1 1 A 32 32 HIS HA H 32 4.433 5.031 -0.598 1
1 417 . 16 1 1 A 32 32 HIS C C 32 171.973 172.471 -0.498 1
1 418 . 16 1 1 A 32 32 HIS CA C 32 54.660 54.321 0.339 1
1 419 . 16 1 1 A 32 32 HIS CB C 32 31.500 31.033 0.467 1
1 422 . 16 1 1 A 32 32 HIS N N 32 114.425 115.273 -0.848 1
1 423 . 16 1 1 A 33 33 LEU H H 33 10.099 8.746 1.353 1
1 424 . 16 1 1 A 33 33 LEU HA H 33 4.745 4.098 0.647 1
1 434 . 16 1 1 A 33 33 LEU CA C 33 53.423 53.185 0.238 1
1 435 . 16 1 1 A 33 33 LEU CB C 33 42.750 41.276 1.474 1
1 439 . 16 1 1 A 33 33 LEU N N 33 124.819 120.646 4.173 1
1 440 . 16 1 1 A 34 34 PRO HA H 34 4.328 4.216 0.112 1
1 447 . 16 1 1 A 34 34 PRO C C 34 177.012 177.819 -0.807 1
1 448 . 16 1 1 A 34 34 PRO CA C 34 64.440 64.615 -0.175 1
1 449 . 16 1 1 A 34 34 PRO CB C 34 31.660 31.973 -0.313 1
1 452 . 16 1 1 A 35 35 ASN H H 35 8.736 8.388 0.348 1
1 453 . 16 1 1 A 35 35 ASN HA H 35 4.701 4.906 -0.205 1
1 458 . 16 1 1 A 35 35 ASN C C 35 174.801 175.067 -0.266 1
1 459 . 16 1 1 A 35 35 ASN CA C 35 53.470 52.995 0.475 1
1 460 . 16 1 1 A 35 35 ASN CB C 35 37.650 38.966 -1.316 1
1 461 . 16 1 1 A 35 35 ASN N N 35 113.231 115.111 -1.880 1
1 463 . 16 1 1 A 36 36 ALA H H 36 7.434 7.139 0.295 1
1 464 . 16 1 1 A 36 36 ALA HA H 36 4.523 4.640 -0.117 1
1 468 . 16 1 1 A 36 36 ALA C C 36 177.494 176.975 0.519 1
1 469 . 16 1 1 A 36 36 ALA CA C 36 52.700 50.657 2.043 1
1 470 . 16 1 1 A 36 36 ALA CB C 36 21.760 20.797 0.963 1
1 471 . 16 1 1 A 36 36 ALA N N 36 122.419 122.691 -0.272 1
1 472 . 16 1 1 A 37 37 THR H H 37 8.334 8.889 -0.555 1
1 473 . 16 1 1 A 37 37 THR HA H 37 4.184 4.527 -0.343 1
1 479 . 16 1 1 A 37 37 THR C C 37 172.359 173.977 -1.618 1
1 480 . 16 1 1 A 37 37 THR CA C 37 63.020 63.017 0.003 1
1 481 . 16 1 1 A 37 37 THR CB C 37 69.800 69.351 0.449 1
1 483 . 16 1 1 A 37 37 THR N N 37 121.183 119.150 2.033 1
1 484 . 16 1 1 A 38 38 LEU H H 38 8.306 8.543 -0.237 1
1 485 . 16 1 1 A 38 38 LEU HA H 38 4.815 4.385 0.430 1
1 495 . 16 1 1 A 38 38 LEU C C 38 176.529 174.983 1.546 1
1 496 . 16 1 1 A 38 38 LEU CA C 38 53.873 54.962 -1.089 1
1 497 . 16 1 1 A 38 38 LEU CB C 38 41.830 41.865 -0.035 1
1 501 . 16 1 1 A 38 38 LEU N N 38 130.981 129.875 1.106 1
1 502 . 16 1 1 A 39 39 ILE H H 39 8.612 8.032 0.580 1
1 503 . 16 1 1 A 39 39 ILE HA H 39 3.779 4.566 -0.787 1
1 513 . 16 1 1 A 39 39 ILE C C 39 172.186 174.554 -2.368 1
1 514 . 16 1 1 A 39 39 ILE CA C 39 62.040 59.896 2.144 1
1 515 . 16 1 1 A 39 39 ILE CB C 39 40.360 41.947 -1.587 1
1 519 . 16 1 1 A 39 39 ILE N N 39 131.100 129.213 1.887 1
1 520 . 16 1 1 A 40 40 SER H H 40 8.123 8.954 -0.831 1
1 521 . 16 1 1 A 40 40 SER HA H 40 3.904 4.424 -0.520 1
1 524 . 16 1 1 A 40 40 SER C C 40 177.629 175.418 2.211 1
1 525 . 16 1 1 A 40 40 SER CA C 40 58.810 59.135 -0.325 1
1 526 . 16 1 1 A 40 40 SER CB C 40 63.090 63.291 -0.201 1
1 527 . 16 1 1 A 40 40 SER N N 40 118.068 122.764 -4.696 1
1 528 . 16 1 1 A 41 41 VAL H H 41 7.739 8.588 -0.849 1
1 529 . 16 1 1 A 41 41 VAL HA H 41 3.913 3.828 0.085 1
1 537 . 16 1 1 A 41 41 VAL C C 41 174.714 177.317 -2.603 1
1 538 . 16 1 1 A 41 41 VAL CA C 41 58.990 64.987 -5.997 1
1 539 . 16 1 1 A 41 41 VAL CB C 41 31.730 31.850 -0.120 1
1 542 . 16 1 1 A 41 41 VAL N N 41 124.290 127.247 -2.957 1
1 543 . 16 1 1 A 42 42 ASN H H 42 8.344 8.813 -0.469 1
1 544 . 16 1 1 A 42 42 ASN HA H 42 4.630 4.500 0.130 1
1 549 . 16 1 1 A 42 42 ASN C C 42 175.699 175.842 -0.143 1
1 550 . 16 1 1 A 42 42 ASN CA C 42 54.860 54.971 -0.111 1
1 551 . 16 1 1 A 42 42 ASN CB C 42 38.610 37.214 1.396 1
1 552 . 16 1 1 A 42 42 ASN N N 42 116.715 116.616 0.099 1
1 554 . 16 1 1 A 43 43 ASP H H 43 8.417 7.505 0.912 1
1 555 . 16 1 1 A 43 43 ASP HA H 43 5.021 4.859 0.162 1
1 558 . 16 1 1 A 43 43 ASP C C 43 175.699 176.099 -0.400 1
1 559 . 16 1 1 A 43 43 ASP CA C 43 52.300 52.676 -0.376 1
1 560 . 16 1 1 A 43 43 ASP CB C 43 39.540 38.699 0.841 1
1 561 . 16 1 1 A 43 43 ASP N N 43 125.038 119.777 5.261 1
1 562 . 16 1 1 A 44 44 GLN H H 44 7.762 8.050 -0.288 1
1 563 . 16 1 1 A 44 44 GLN HA H 44 3.815 4.011 -0.196 1
1 570 . 16 1 1 A 44 44 GLN C C 44 178.430 178.344 0.086 1
1 571 . 16 1 1 A 44 44 GLN CA C 44 59.650 59.043 0.607 1
1 572 . 16 1 1 A 44 44 GLN CB C 44 28.760 28.599 0.161 1
1 574 . 16 1 1 A 44 44 GLN N N 44 119.490 123.373 -3.883 1
1 576 . 16 1 1 A 45 45 GLU H H 45 8.705 8.378 0.327 1
1 577 . 16 1 1 A 45 45 GLU HA H 45 4.059 4.058 0.001 1
1 582 . 16 1 1 A 45 45 GLU C C 45 178.739 178.910 -0.171 1
1 583 . 16 1 1 A 45 45 GLU CA C 45 59.660 59.351 0.309 1
1 584 . 16 1 1 A 45 45 GLU CB C 45 28.900 28.994 -0.094 1
1 586 . 16 1 1 A 45 45 GLU N N 45 119.373 118.810 0.563 1
1 587 . 16 1 1 A 46 46 LYS H H 46 7.545 7.733 -0.188 1
1 588 . 16 1 1 A 46 46 LYS HA H 46 4.119 4.171 -0.052 1
1 597 . 16 1 1 A 46 46 LYS C C 46 179.579 178.710 0.869 1
1 598 . 16 1 1 A 46 46 LYS CA C 46 58.940 59.289 -0.349 1
1 599 . 16 1 1 A 46 46 LYS CB C 46 32.750 32.224 0.526 1
1 603 . 16 1 1 A 46 46 LYS N N 46 120.645 119.958 0.687 1
1 604 . 16 1 1 A 47 47 LEU H H 47 8.005 7.798 0.207 1
1 605 . 16 1 1 A 47 47 LEU HA H 47 4.059 4.058 0.001 1
1 615 . 16 1 1 A 47 47 LEU C C 47 177.436 178.284 -0.848 1
1 616 . 16 1 1 A 47 47 LEU CA C 47 58.090 57.689 0.401 1
1 617 . 16 1 1 A 47 47 LEU CB C 47 41.150 41.240 -0.090 1
1 621 . 16 1 1 A 47 47 LEU N N 47 122.201 121.233 0.968 1
1 622 . 16 1 1 A 48 48 ALA H H 48 8.239 8.507 -0.268 1
1 623 . 16 1 1 A 48 48 ALA HA H 48 3.733 3.520 0.213 1
1 627 . 16 1 1 A 48 48 ALA C C 48 179.347 179.100 0.247 1
1 628 . 16 1 1 A 48 48 ALA CA C 48 55.420 55.127 0.293 1
1 629 . 16 1 1 A 48 48 ALA CB C 48 18.240 17.961 0.279 1
1 630 . 16 1 1 A 48 48 ALA N N 48 121.483 120.811 0.672 1
1 631 . 16 1 1 A 49 49 ASP H H 49 8.001 7.868 0.133 1
1 632 . 16 1 1 A 49 49 ASP HA H 49 4.308 4.311 -0.003 1
1 635 . 16 1 1 A 49 49 ASP C C 49 179.106 178.130 0.976 1
1 636 . 16 1 1 A 49 49 ASP CA C 49 57.350 57.198 0.152 1
1 637 . 16 1 1 A 49 49 ASP CB C 49 41.250 41.837 -0.587 1
1 638 . 16 1 1 A 49 49 ASP N N 49 117.231 118.688 -1.457 1
1 639 . 16 1 1 A 50 50 PHE H H 50 8.265 8.123 0.142 1
1 640 . 16 1 1 A 50 50 PHE HA H 50 4.101 4.100 0.001 1
1 647 . 16 1 1 A 50 50 PHE C C 50 179.048 176.830 2.218 1
1 648 . 16 1 1 A 50 50 PHE CA C 50 62.590 61.320 1.270 1
1 649 . 16 1 1 A 50 50 PHE CB C 50 39.810 39.123 0.687 1
1 651 . 16 1 1 A 50 50 PHE N N 50 122.379 120.147 2.232 1
1 652 . 16 1 1 A 51 51 LEU H H 51 8.653 7.907 0.746 1
1 653 . 16 1 1 A 51 51 LEU HA H 51 3.789 3.820 -0.031 1
1 663 . 16 1 1 A 51 51 LEU C C 51 180.400 178.632 1.768 1
1 664 . 16 1 1 A 51 51 LEU CA C 51 58.140 57.647 0.493 1
1 665 . 16 1 1 A 51 51 LEU CB C 51 38.770 41.125 -2.355 1
1 669 . 16 1 1 A 51 51 LEU N N 51 120.277 120.169 0.108 1
1 670 . 16 1 1 A 52 52 SER H H 52 8.332 7.945 0.387 1
1 671 . 16 1 1 A 52 52 SER HA H 52 4.160 4.407 -0.247 1
1 674 . 16 1 1 A 52 52 SER C C 52 176.220 176.431 -0.211 1
1 675 . 16 1 1 A 52 52 SER CA C 52 61.840 61.007 0.833 1
1 676 . 16 1 1 A 52 52 SER CB C 52 62.850 63.209 -0.359 1
1 677 . 16 1 1 A 52 52 SER N N 52 115.630 114.510 1.120 1
1 678 . 16 1 1 A 53 53 GLN H H 53 7.405 7.514 -0.109 1
1 679 . 16 1 1 A 53 53 GLN HA H 53 4.092 4.135 -0.043 1
1 686 . 16 1 1 A 53 53 GLN C C 53 176.046 176.751 -0.705 1
1 687 . 16 1 1 A 53 53 GLN CA C 53 56.560 58.729 -2.169 1
1 688 . 16 1 1 A 53 53 GLN CB C 53 28.580 28.823 -0.243 1
1 690 . 16 1 1 A 53 53 GLN N N 53 119.056 119.887 -0.831 1
1 692 . 16 1 1 A 54 54 HIS H H 54 7.311 7.489 -0.178 1
1 693 . 16 1 1 A 54 54 HIS HA H 54 4.754 4.715 0.039 1
1 696 . 16 1 1 A 54 54 HIS C C 54 175.467 174.710 0.757 1
1 697 . 16 1 1 A 54 54 HIS CA C 54 55.562 55.423 0.139 1
1 698 . 16 1 1 A 54 54 HIS CB C 54 29.650 29.877 -0.227 1
1 699 . 16 1 1 A 54 54 HIS N N 54 117.800 117.061 0.739 1
1 700 . 16 1 1 A 55 55 LYS H H 55 7.646 8.300 -0.654 1
1 701 . 16 1 1 A 55 55 LYS HA H 55 4.296 4.138 0.158 1
1 710 . 16 1 1 A 55 55 LYS C C 55 176.741 177.658 -0.917 1
1 711 . 16 1 1 A 55 55 LYS CA C 55 58.710 60.144 -1.434 1
1 712 . 16 1 1 A 55 55 LYS CB C 55 32.370 32.190 0.180 1
1 716 . 16 1 1 A 55 55 LYS N N 55 119.903 124.467 -4.564 1
1 717 . 16 1 1 A 56 56 ASP H H 56 8.853 7.637 1.216 1
1 718 . 16 1 1 A 56 56 ASP HA H 56 4.655 4.810 -0.155 1
1 721 . 16 1 1 A 56 56 ASP C C 56 175.158 174.550 0.608 1
1 722 . 16 1 1 A 56 56 ASP CA C 56 53.930 52.990 0.940 1
1 723 . 16 1 1 A 56 56 ASP CB C 56 40.220 39.184 1.036 1
1 724 . 16 1 1 A 56 56 ASP N N 56 116.429 118.298 -1.869 1
1 725 . 16 1 1 A 57 57 LYS H H 57 7.655 7.889 -0.234 1
1 726 . 16 1 1 A 57 57 LYS HA H 57 4.701 5.062 -0.361 1
1 735 . 16 1 1 A 57 57 LYS C C 57 175.236 174.902 0.334 1
1 736 . 16 1 1 A 57 57 LYS CA C 57 53.830 54.692 -0.862 1
1 737 . 16 1 1 A 57 57 LYS CB C 57 35.550 35.906 -0.356 1
1 741 . 16 1 1 A 57 57 LYS N N 57 119.510 118.758 0.752 1
1 742 . 16 1 1 A 58 58 LYS H H 58 8.265 8.669 -0.404 1
1 743 . 16 1 1 A 58 58 LYS HA H 58 4.745 4.775 -0.030 1
1 752 . 16 1 1 A 58 58 LYS C C 58 175.651 175.487 0.164 1
1 753 . 16 1 1 A 58 58 LYS CA C 58 56.870 56.609 0.261 1
1 754 . 16 1 1 A 58 58 LYS CB C 58 33.250 33.001 0.249 1
1 758 . 16 1 1 A 58 58 LYS N N 58 120.091 124.667 -4.576 1
1 759 . 16 1 1 A 59 59 VAL H H 59 9.233 9.224 0.009 1
1 760 . 16 1 1 A 59 59 VAL HA H 59 5.231 5.409 -0.178 1
1 768 . 16 1 1 A 59 59 VAL C C 59 173.556 174.537 -0.981 1
1 769 . 16 1 1 A 59 59 VAL CA C 59 60.930 61.201 -0.271 1
1 770 . 16 1 1 A 59 59 VAL CB C 59 34.300 34.824 -0.524 1
1 772 . 16 1 1 A 59 59 VAL N N 59 127.047 127.275 -0.228 1
1 773 . 16 1 1 A 60 60 LEU H H 60 9.228 8.866 0.362 1
1 774 . 16 1 1 A 60 60 LEU HA H 60 4.815 5.056 -0.241 1
1 784 . 16 1 1 A 60 60 LEU C C 60 173.421 175.075 -1.654 1
1 785 . 16 1 1 A 60 60 LEU CA C 60 52.586 53.809 -1.223 1
1 786 . 16 1 1 A 60 60 LEU CB C 60 45.660 44.898 0.762 1
1 790 . 16 1 1 A 60 60 LEU N N 60 129.197 129.263 -0.066 1
1 791 . 16 1 1 A 61 61 LEU H H 61 9.055 9.030 0.025 1
1 792 . 16 1 1 A 61 61 LEU HA H 61 5.713 4.816 0.897 1
1 802 . 16 1 1 A 61 61 LEU C C 61 176.683 176.630 0.053 1
1 803 . 16 1 1 A 61 61 LEU CA C 61 52.760 54.438 -1.678 1
1 804 . 16 1 1 A 61 61 LEU CB C 61 43.220 40.852 2.368 1
1 808 . 16 1 1 A 61 61 LEU N N 61 125.903 128.758 -2.855 1
1 809 . 16 1 1 A 62 62 HIS H H 62 9.148 8.881 0.267 1
1 810 . 16 1 1 A 62 62 HIS HA H 62 5.440 5.362 0.078 1
1 816 . 16 1 1 A 62 62 HIS C C 62 172.301 173.823 -1.522 1
1 817 . 16 1 1 A 62 62 HIS CA C 62 54.580 54.353 0.227 1
1 818 . 16 1 1 A 62 62 HIS CB C 62 33.980 31.555 2.425 1
1 821 . 16 1 1 A 62 62 HIS N N 62 119.183 121.922 -2.739 1
1 823 . 16 1 1 A 63 63 CYS H H 63 9.389 8.072 1.317 1
1 824 . 16 1 1 A 63 63 CYS HA H 63 5.021 4.730 0.291 1
1 827 . 16 1 1 A 63 63 CYS C C 63 177.649 175.372 2.277 1
1 828 . 16 1 1 A 63 63 CYS CA C 63 56.460 57.118 -0.658 1
1 829 . 16 1 1 A 63 63 CYS CB C 63 29.400 30.420 -1.020 1
1 830 . 16 1 1 A 63 63 CYS N N 63 120.896 119.715 1.181 1
1 831 . 16 1 1 A 64 64 ARG H H 64 8.658 8.823 -0.165 1
1 832 . 16 1 1 A 64 64 ARG HA H 64 4.425 3.748 0.677 1
1 839 . 16 1 1 A 64 64 ARG C C 64 174.724 176.746 -2.022 1
1 840 . 16 1 1 A 64 64 ARG CA C 64 59.000 59.341 -0.341 1
1 841 . 16 1 1 A 64 64 ARG CB C 64 30.820 29.907 0.913 1
1 844 . 16 1 1 A 64 64 ARG N N 64 130.651 126.653 3.998 1
1 845 . 16 1 1 A 65 65 ALA H H 65 8.166 7.732 0.434 1
1 846 . 16 1 1 A 65 65 ALA HA H 65 5.399 4.610 0.789 1
1 850 . 16 1 1 A 65 65 ALA C C 65 177.909 177.256 0.653 1
1 851 . 16 1 1 A 65 65 ALA CA C 65 52.020 53.204 -1.184 1
1 852 . 16 1 1 A 65 65 ALA CB C 65 20.270 21.591 -1.321 1
1 853 . 16 1 1 A 65 65 ALA N N 65 118.548 118.781 -0.233 1
1 854 . 16 1 1 A 66 66 GLY H H 66 9.300 7.340 1.960 1
1 855 . 16 1 1 A 66 66 GLY HA2 H 66 4.872 4.076 0.796 1
1 856 . 16 1 1 A 66 66 GLY HA3 H 66 4.450 4.097 0.353 1
1 857 . 16 1 1 A 66 66 GLY C C 66 176.761 174.881 1.880 1
1 858 . 16 1 1 A 66 66 GLY CA C 66 46.630 45.590 1.040 1
1 859 . 16 1 1 A 66 66 GLY N N 66 114.644 106.345 8.299 1
1 860 . 16 1 1 A 67 67 ARG H H 67 8.118 8.048 0.070 1
1 861 . 16 1 1 A 67 67 ARG HA H 67 4.141 4.086 0.055 1
1 871 . 16 1 1 A 67 67 ARG C C 67 178.691 178.679 0.012 1
1 872 . 16 1 1 A 67 67 ARG CA C 67 60.930 58.476 2.454 1
1 873 . 16 1 1 A 67 67 ARG CB C 67 31.240 29.732 1.508 1
1 876 . 16 1 1 A 67 67 ARG N N 67 121.922 122.286 -0.364 1
1 879 . 16 1 1 A 68 68 ARG H H 68 9.366 7.635 1.731 1
1 880 . 16 1 1 A 68 68 ARG HA H 68 4.282 3.995 0.287 1
1 887 . 16 1 1 A 68 68 ARG C C 68 178.681 178.956 -0.275 1
1 888 . 16 1 1 A 68 68 ARG CA C 68 59.410 59.157 0.253 1
1 889 . 16 1 1 A 68 68 ARG CB C 68 30.760 29.747 1.013 1
1 892 . 16 1 1 A 68 68 ARG N N 68 123.821 118.740 5.081 1
1 893 . 16 1 1 A 69 69 ALA H H 69 10.112 8.060 2.052 1
1 894 . 16 1 1 A 69 69 ALA HA H 69 3.800 4.105 -0.305 1
1 898 . 16 1 1 A 69 69 ALA C C 69 178.334 179.895 -1.561 1
1 899 . 16 1 1 A 69 69 ALA CA C 69 55.960 55.233 0.727 1
1 900 . 16 1 1 A 69 69 ALA CB C 69 17.730 18.779 -1.049 1
1 901 . 16 1 1 A 69 69 ALA N N 69 125.465 122.243 3.222 1
1 902 . 16 1 1 A 70 70 LEU H H 70 7.746 7.799 -0.053 1
1 903 . 16 1 1 A 70 70 LEU HA H 70 3.340 3.227 0.113 1
1 913 . 16 1 1 A 70 70 LEU C C 70 177.996 177.794 0.202 1
1 914 . 16 1 1 A 70 70 LEU CA C 70 57.950 58.023 -0.073 1
1 915 . 16 1 1 A 70 70 LEU CB C 70 40.720 41.552 -0.832 1
1 919 . 16 1 1 A 70 70 LEU N N 70 118.427 119.620 -1.193 1
1 920 . 16 1 1 A 71 71 ASP H H 71 7.662 8.398 -0.736 1
1 921 . 16 1 1 A 71 71 ASP HA H 71 4.236 4.141 0.095 1
1 924 . 16 1 1 A 71 71 ASP C C 71 179.560 178.096 1.464 1
1 925 . 16 1 1 A 71 71 ASP CA C 71 57.880 57.808 0.072 1
1 926 . 16 1 1 A 71 71 ASP CB C 71 40.340 41.768 -1.428 1
1 927 . 16 1 1 A 71 71 ASP N N 71 120.180 118.690 1.490 1
1 928 . 16 1 1 A 72 72 ALA H H 72 8.796 7.844 0.952 1
1 929 . 16 1 1 A 72 72 ALA HA H 72 4.101 4.051 0.050 1
1 933 . 16 1 1 A 72 72 ALA C C 72 179.203 179.558 -0.355 1
1 934 . 16 1 1 A 72 72 ALA CA C 72 54.670 55.120 -0.450 1
1 935 . 16 1 1 A 72 72 ALA CB C 72 18.490 17.924 0.566 1
1 936 . 16 1 1 A 72 72 ALA N N 72 122.299 120.763 1.536 1
1 937 . 16 1 1 A 73 73 ALA H H 73 8.672 7.662 1.010 1
1 938 . 16 1 1 A 73 73 ALA HA H 73 3.758 4.130 -0.372 1
1 942 . 16 1 1 A 73 73 ALA C C 73 179.251 179.540 -0.289 1
1 943 . 16 1 1 A 73 73 ALA CA C 73 55.950 55.149 0.801 1
1 944 . 16 1 1 A 73 73 ALA CB C 73 17.660 18.195 -0.535 1
1 945 . 16 1 1 A 73 73 ALA N N 73 121.294 119.964 1.330 1
1 946 . 16 1 1 A 74 74 LYS H H 74 8.914 7.995 0.919 1
1 947 . 16 1 1 A 74 74 LYS HA H 74 3.790 3.865 -0.075 1
1 956 . 16 1 1 A 74 74 LYS C C 74 179.589 179.349 0.240 1
1 957 . 16 1 1 A 74 74 LYS CA C 74 60.620 59.300 1.320 1
1 958 . 16 1 1 A 74 74 LYS CB C 74 32.330 32.248 0.082 1
1 962 . 16 1 1 A 74 74 LYS N N 74 119.404 117.754 1.650 1
1 963 . 16 1 1 A 75 75 SER H H 75 7.874 7.854 0.020 1
1 964 . 16 1 1 A 75 75 SER HA H 75 4.272 4.109 0.163 1
1 967 . 16 1 1 A 75 75 SER C C 75 176.944 176.800 0.144 1
1 968 . 16 1 1 A 75 75 SER CA C 75 61.840 61.914 -0.074 1
1 969 . 16 1 1 A 75 75 SER CB C 75 62.990 62.768 0.222 1
1 970 . 16 1 1 A 75 75 SER N N 75 114.306 116.429 -2.123 1
1 971 . 16 1 1 A 76 76 MET H H 76 8.401 7.751 0.650 1
1 972 . 16 1 1 A 76 76 MET HA H 76 4.881 4.340 0.541 1
1 980 . 16 1 1 A 76 76 MET C C 76 179.811 178.844 0.967 1
1 981 . 16 1 1 A 76 76 MET CA C 76 56.060 58.903 -2.843 1
1 982 . 16 1 1 A 76 76 MET CB C 76 34.780 33.588 1.192 1
1 985 . 16 1 1 A 76 76 MET N N 76 119.510 119.739 -0.229 1
1 986 . 16 1 1 A 77 77 HIS H H 77 9.450 8.185 1.265 1
1 987 . 16 1 1 A 77 77 HIS HA H 77 5.148 4.737 0.411 1
1 992 . 16 1 1 A 77 77 HIS C C 77 181.596 177.903 3.693 1
1 993 . 16 1 1 A 77 77 HIS CA C 77 59.550 59.111 0.439 1
1 994 . 16 1 1 A 77 77 HIS CB C 77 30.720 29.614 1.106 1
1 997 . 16 1 1 A 77 77 HIS N N 77 123.245 117.826 5.419 1
1 998 . 16 1 1 A 78 78 GLU H H 78 7.832 7.758 0.074 1
1 999 . 16 1 1 A 78 78 GLU HA H 78 4.159 4.096 0.063 1
1 1004 . 16 1 1 A 78 78 GLU C C 78 177.909 178.607 -0.698 1
1 1005 . 16 1 1 A 78 78 GLU CA C 78 59.110 59.125 -0.015 1
1 1006 . 16 1 1 A 78 78 GLU CB C 78 29.380 29.105 0.275 1
1 1008 . 16 1 1 A 78 78 GLU N N 78 121.124 120.351 0.773 1
1 1009 . 16 1 1 A 79 79 LEU H H 79 7.161 7.315 -0.154 1
1 1010 . 16 1 1 A 79 79 LEU HA H 79 4.360 4.160 0.200 1
1 1020 . 16 1 1 A 79 79 LEU C C 79 176.934 176.667 0.267 1
1 1021 . 16 1 1 A 79 79 LEU CA C 79 54.820 55.457 -0.637 1
1 1022 . 16 1 1 A 79 79 LEU CB C 79 43.300 42.587 0.713 1
1 1026 . 16 1 1 A 79 79 LEU N N 79 116.655 118.017 -1.362 1
1 1027 . 16 1 1 A 80 80 GLY H H 80 7.545 7.488 0.057 1
1 1028 . 16 1 1 A 80 80 GLY HA2 H 80 4.101 3.840 0.261 1
1 1029 . 16 1 1 A 80 80 GLY HA3 H 80 3.580 3.923 -0.343 1
1 1030 . 16 1 1 A 80 80 GLY C C 80 174.116 174.262 -0.146 1
1 1031 . 16 1 1 A 80 80 GLY CA C 80 45.010 44.773 0.237 1
1 1032 . 16 1 1 A 80 80 GLY N N 80 105.216 105.421 -0.205 1
1 1033 . 16 1 1 A 81 81 TYR H H 81 7.519 7.559 -0.040 1
1 1034 . 16 1 1 A 81 81 TYR HA H 81 4.727 4.470 0.257 1
1 1041 . 16 1 1 A 81 81 TYR C C 81 174.377 175.077 -0.700 1
1 1042 . 16 1 1 A 81 81 TYR CA C 81 56.960 58.074 -1.114 1
1 1043 . 16 1 1 A 81 81 TYR CB C 81 40.310 39.218 1.092 1
1 1046 . 16 1 1 A 81 81 TYR N N 81 119.660 119.877 -0.217 1
1 1047 . 16 1 1 A 82 82 THR H H 82 8.786 8.659 0.127 1
1 1048 . 16 1 1 A 82 82 THR HA H 82 3.390 3.587 -0.197 1
1 1053 . 16 1 1 A 82 82 THR CA C 82 57.030 58.151 -1.121 1
1 1054 . 16 1 1 A 82 82 THR CB C 82 68.740 68.651 0.089 1
1 1056 . 16 1 1 A 82 82 THR N N 82 105.368 113.596 -8.228 1
1 1057 . 16 1 1 A 83 83 PRO HA H 83 5.003 4.661 0.342 1
1 1064 . 16 1 1 A 83 83 PRO C C 83 175.699 176.311 -0.612 1
1 1065 . 16 1 1 A 83 83 PRO CA C 83 63.140 62.395 0.745 1
1 1066 . 16 1 1 A 83 83 PRO CB C 83 31.570 32.298 -0.728 1
1 1069 . 16 1 1 A 84 84 TYR H H 84 9.497 8.377 1.120 1
1 1070 . 16 1 1 A 84 84 TYR HA H 84 5.482 5.101 0.381 1
1 1077 . 16 1 1 A 84 84 TYR C C 84 175.506 175.348 0.158 1
1 1078 . 16 1 1 A 84 84 TYR CA C 84 57.570 57.941 -0.371 1
1 1079 . 16 1 1 A 84 84 TYR CB C 84 40.500 39.610 0.890 1
1 1082 . 16 1 1 A 84 84 TYR N N 84 119.880 120.578 -0.698 1
1 1083 . 16 1 1 A 85 85 TYR H H 85 8.570 8.420 0.150 1
1 1084 . 16 1 1 A 85 85 TYR HA H 85 5.730 5.719 0.011 1
1 1089 . 16 1 1 A 85 85 TYR C C 85 172.215 172.374 -0.159 1
1 1090 . 16 1 1 A 85 85 TYR CA C 85 55.240 55.809 -0.569 1
1 1091 . 16 1 1 A 85 85 TYR CB C 85 40.830 41.764 -0.934 1
1 1093 . 16 1 1 A 85 85 TYR N N 85 116.764 118.349 -1.585 1
1 1094 . 16 1 1 A 86 86 LEU H H 86 8.196 9.257 -1.061 1
1 1095 . 16 1 1 A 86 86 LEU HA H 86 4.881 5.173 -0.292 1
1 1105 . 16 1 1 A 86 86 LEU C C 86 177.552 174.741 2.811 1
1 1106 . 16 1 1 A 86 86 LEU CA C 86 53.376 53.780 -0.404 1
1 1107 . 16 1 1 A 86 86 LEU CB C 86 44.360 44.720 -0.360 1
1 1111 . 16 1 1 A 86 86 LEU N N 86 121.589 123.918 -2.329 1
1 1112 . 16 1 1 A 87 87 GLU H H 87 9.146 8.666 0.480 1
1 1113 . 16 1 1 A 87 87 GLU HA H 87 4.797 4.884 -0.087 1
1 1118 . 16 1 1 A 87 87 GLU C C 87 174.965 176.721 -1.756 1
1 1119 . 16 1 1 A 87 87 GLU CA C 87 55.405 55.814 -0.409 1
1 1120 . 16 1 1 A 87 87 GLU CB C 87 30.010 30.107 -0.097 1
1 1122 . 16 1 1 A 87 87 GLU N N 87 128.779 126.942 1.837 1
1 1123 . 16 1 1 A 88 88 GLY H H 88 7.349 8.013 -0.664 1
1 1124 . 16 1 1 A 88 88 GLY HA2 H 88 4.110 4.170 -0.060 1
1 1125 . 16 1 1 A 88 88 GLY HA3 H 88 4.023 4.257 -0.234 1
1 1126 . 16 1 1 A 88 88 GLY C C 88 170.593 172.154 -1.561 1
1 1127 . 16 1 1 A 88 88 GLY CA C 88 44.970 45.946 -0.976 1
1 1128 . 16 1 1 A 88 88 GLY N N 88 112.564 111.079 1.485 1
1 1129 . 16 1 1 A 89 89 ASN H H 89 8.756 8.550 0.206 1
1 1130 . 16 1 1 A 89 89 ASN HA H 89 5.722 5.110 0.612 1
1 1135 . 16 1 1 A 89 89 ASN C C 89 176.336 176.022 0.314 1
1 1136 . 16 1 1 A 89 89 ASN CA C 89 52.210 53.578 -1.368 1
1 1137 . 16 1 1 A 89 89 ASN CB C 89 40.950 40.006 0.944 1
1 1138 . 16 1 1 A 89 89 ASN N N 89 121.363 118.914 2.449 1
1 1140 . 16 1 1 A 90 90 VAL H H 90 8.928 8.273 0.655 1
1 1141 . 16 1 1 A 90 90 VAL HA H 90 4.425 2.100 2.325 1
1 1149 . 16 1 1 A 90 90 VAL C C 90 175.660 176.423 -0.763 1
1 1150 . 16 1 1 A 90 90 VAL CA C 90 58.930 64.101 -5.171 1
1 1151 . 16 1 1 A 90 90 VAL CB C 90 30.860 31.409 -0.549 1
1 1154 . 16 1 1 A 90 90 VAL N N 90 128.990 125.969 3.021 1
1 1155 . 16 1 1 A 91 91 TYR H H 91 8.330 7.226 1.104 1
1 1156 . 16 1 1 A 91 91 TYR HA H 91 4.016 4.241 -0.225 1
1 1163 . 16 1 1 A 91 91 TYR C C 91 175.718 178.035 -2.317 1
1 1164 . 16 1 1 A 91 91 TYR CA C 91 61.700 61.546 0.154 1
1 1165 . 16 1 1 A 91 91 TYR CB C 91 36.580 37.519 -0.939 1
1 1168 . 16 1 1 A 91 91 TYR N N 91 119.510 119.836 -0.326 1
1 1169 . 16 1 1 A 92 92 ASP H H 92 8.654 7.778 0.876 1
1 1170 . 16 1 1 A 92 92 ASP HA H 92 5.146 4.749 0.397 1
1 1173 . 16 1 1 A 92 92 ASP C C 92 177.224 179.369 -2.145 1
1 1174 . 16 1 1 A 92 92 ASP CA C 92 54.290 56.377 -2.087 1
1 1175 . 16 1 1 A 92 92 ASP CB C 92 42.670 40.570 2.100 1
1 1176 . 16 1 1 A 92 92 ASP N N 92 117.541 120.006 -2.465 1
1 1177 . 16 1 1 A 93 93 PHE H H 93 7.673 7.182 0.491 1
1 1178 . 16 1 1 A 93 93 PHE HA H 93 4.688 4.474 0.214 1
1 1186 . 16 1 1 A 93 93 PHE C C 93 179.270 178.394 0.876 1
1 1187 . 16 1 1 A 93 93 PHE CA C 93 60.340 61.895 -1.555 1
1 1188 . 16 1 1 A 93 93 PHE CB C 93 36.010 38.550 -2.540 1
1 1192 . 16 1 1 A 93 93 PHE N N 93 123.205 117.948 5.257 1
1 1193 . 16 1 1 A 94 94 GLU H H 94 9.164 8.630 0.534 1
1 1194 . 16 1 1 A 94 94 GLU HA H 94 4.676 4.274 0.402 1
1 1199 . 16 1 1 A 94 94 GLU C C 94 180.805 179.161 1.644 1
1 1200 . 16 1 1 A 94 94 GLU CA C 94 59.240 60.251 -1.011 1
1 1201 . 16 1 1 A 94 94 GLU CB C 94 29.640 29.510 0.130 1
1 1203 . 16 1 1 A 94 94 GLU N N 94 118.657 119.551 -0.894 1
1 1204 . 16 1 1 A 95 95 LYS H H 95 8.005 8.489 -0.484 1
1 1205 . 16 1 1 A 95 95 LYS HA H 95 4.103 4.217 -0.114 1
1 1214 . 16 1 1 A 95 95 LYS C C 95 177.948 177.529 0.419 1
1 1215 . 16 1 1 A 95 95 LYS CA C 95 58.680 58.903 -0.223 1
1 1216 . 16 1 1 A 95 95 LYS CB C 95 31.690 32.116 -0.426 1
1 1220 . 16 1 1 A 95 95 LYS N N 95 121.494 118.854 2.640 1
1 1221 . 16 1 1 A 96 96 TYR H H 96 7.710 7.857 -0.147 1
1 1222 . 16 1 1 A 96 96 TYR HA H 96 4.332 4.655 -0.323 1
1 1229 . 16 1 1 A 96 96 TYR C C 96 174.550 175.581 -1.031 1
1 1230 . 16 1 1 A 96 96 TYR CA C 96 59.370 58.227 1.143 1
1 1231 . 16 1 1 A 96 96 TYR CB C 96 38.340 38.850 -0.510 1
1 1234 . 16 1 1 A 96 96 TYR N N 96 117.421 118.603 -1.182 1
1 1235 . 16 1 1 A 97 97 GLY H H 97 7.796 7.846 -0.050 1
1 1236 . 16 1 1 A 97 97 GLY HA2 H 97 3.966 3.836 0.130 1
1 1237 . 16 1 1 A 97 97 GLY HA3 H 97 3.580 3.977 -0.397 1
1 1238 . 16 1 1 A 97 97 GLY C C 97 173.662 174.657 -0.995 1
1 1239 . 16 1 1 A 97 97 GLY CA C 97 45.160 45.129 0.031 1
1 1240 . 16 1 1 A 97 97 GLY N N 97 105.806 106.825 -1.019 1
1 1241 . 16 1 1 A 98 98 PHE H H 98 7.323 7.577 -0.254 1
1 1242 . 16 1 1 A 98 98 PHE HA H 98 4.644 4.515 0.129 1
1 1250 . 16 1 1 A 98 98 PHE C C 98 173.353 175.405 -2.052 1
1 1251 . 16 1 1 A 98 98 PHE CA C 98 57.490 58.506 -1.016 1
1 1252 . 16 1 1 A 98 98 PHE CB C 98 38.550 38.587 -0.037 1
1 1256 . 16 1 1 A 98 98 PHE N N 98 120.718 120.171 0.547 1
1 1257 . 16 1 1 A 99 99 ARG H H 99 7.903 8.489 -0.586 1
1 1258 . 16 1 1 A 99 99 ARG HA H 99 4.283 4.277 0.006 1
1 1265 . 16 1 1 A 99 99 ARG C C 99 175.680 176.044 -0.364 1
1 1266 . 16 1 1 A 99 99 ARG CA C 99 56.320 56.302 0.018 1
1 1267 . 16 1 1 A 99 99 ARG CB C 99 30.610 30.545 0.065 1
1 1270 . 16 1 1 A 99 99 ARG N N 99 122.817 123.918 -1.101 1
1 1271 . 16 1 1 A 100 100 MET H H 100 8.133 8.754 -0.621 1
1 1272 . 16 1 1 A 100 100 MET HA H 100 4.843 4.894 -0.051 1
1 1280 . 16 1 1 A 100 100 MET C C 100 175.255 173.917 1.338 1
1 1281 . 16 1 1 A 100 100 MET CA C 100 52.343 54.209 -1.866 1
1 1282 . 16 1 1 A 100 100 MET CB C 100 34.410 37.078 -2.668 1
1 1285 . 16 1 1 A 100 100 MET N N 100 121.483 120.340 1.143 1
1 1286 . 16 1 1 A 101 101 VAL H H 101 8.471 8.633 -0.162 1
1 1287 . 16 1 1 A 101 101 VAL HA H 101 3.890 4.519 -0.629 1
1 1295 . 16 1 1 A 101 101 VAL C C 101 175.351 174.776 0.575 1
1 1296 . 16 1 1 A 101 101 VAL CA C 101 61.500 61.427 0.073 1
1 1297 . 16 1 1 A 101 101 VAL CB C 101 31.730 31.986 -0.256 1
1 1300 . 16 1 1 A 101 101 VAL N N 101 119.940 121.556 -1.616 1
1 1301 . 16 1 1 A 102 102 TYR H H 102 8.612 8.908 -0.296 1
1 1302 . 16 1 1 A 102 102 TYR HA H 102 4.938 5.020 -0.082 1
1 1309 . 16 1 1 A 102 102 TYR C C 102 175.892 175.255 0.637 1
1 1310 . 16 1 1 A 102 102 TYR CA C 102 57.140 57.484 -0.344 1
1 1311 . 16 1 1 A 102 102 TYR CB C 102 40.990 40.117 0.873 1
1 1314 . 16 1 1 A 102 102 TYR N N 102 126.390 126.986 -0.596 1
1 1315 . 16 1 1 A 103 103 ASP H H 103 8.071 9.169 -1.098 1
1 1316 . 16 1 1 A 103 103 ASP HA H 103 4.621 4.327 0.294 1
1 1319 . 16 1 1 A 103 103 ASP C C 103 176.220 175.837 0.383 1
1 1320 . 16 1 1 A 103 103 ASP CA C 103 55.050 55.229 -0.179 1
1 1321 . 16 1 1 A 103 103 ASP CB C 103 40.220 38.851 1.369 1
1 1322 . 16 1 1 A 103 103 ASP N N 103 120.738 120.726 0.012 1
1 1323 . 16 1 1 A 104 104 ASP H H 104 8.642 7.664 0.978 1
1 1324 . 16 1 1 A 104 104 ASP HA H 104 4.730 4.279 0.451 1
1 1327 . 16 1 1 A 104 104 ASP C C 104 176.095 177.981 -1.886 1
1 1328 . 16 1 1 A 104 104 ASP CA C 104 53.510 56.876 -3.366 1
1 1329 . 16 1 1 A 104 104 ASP CB C 104 41.060 41.539 -0.479 1
1 1330 . 16 1 1 A 104 104 ASP N N 104 121.582 118.347 3.235 1
1 1331 . 16 1 1 A 105 105 THR H H 105 8.119 8.017 0.102 1
1 1332 . 16 1 1 A 105 105 THR HA H 105 4.389 3.901 0.488 1
1 1337 . 16 1 1 A 105 105 THR C C 105 173.508 175.821 -2.313 1
1 1338 . 16 1 1 A 105 105 THR CA C 105 61.580 65.808 -4.228 1
1 1339 . 16 1 1 A 105 105 THR CB C 105 69.840 69.176 0.664 1
1 1341 . 16 1 1 A 105 105 THR N N 105 113.632 114.558 -0.926 1
1 1342 . 16 1 1 A 106 106 CYS H H 106 8.013 7.579 0.434 1
1 1343 . 16 1 1 A 106 106 CYS N N 106 129.098 116.408 12.690 1
1 1344 . 16 1 1 A 107 107 ASP HA H 107 4.606 4.893 -0.287 1
1 1347 . 16 1 1 A 107 107 ASP C C 107 176.075 175.793 0.282 1
1 1348 . 16 1 1 A 107 107 ASP CA C 107 54.790 55.329 -0.539 1
1 1349 . 16 1 1 A 107 107 ASP CB C 107 40.990 43.524 -2.534 1
1 1350 . 16 1 1 A 108 108 LYS H H 108 8.216 7.992 0.224 1
1 1351 . 16 1 1 A 108 108 LYS HA H 108 4.326 4.731 -0.405 1
1 1360 . 16 1 1 A 108 108 LYS C C 108 176.490 175.944 0.546 1
1 1361 . 16 1 1 A 108 108 LYS CA C 108 56.140 57.807 -1.667 1
1 1362 . 16 1 1 A 108 108 LYS CB C 108 32.910 35.001 -2.091 1
1 1366 . 16 1 1 A 108 108 LYS N N 108 121.982 118.456 3.526 1
1 1367 . 16 1 1 A 109 109 LYS H H 109 8.411 8.177 0.234 1
1 1368 . 16 1 1 A 109 109 LYS HA H 109 4.344 4.394 -0.050 1
1 1377 . 16 1 1 A 109 109 LYS C C 109 175.583 174.886 0.697 1
1 1378 . 16 1 1 A 109 109 LYS CA C 109 56.150 56.737 -0.587 1
1 1379 . 16 1 1 A 109 109 LYS CB C 109 33.050 32.946 0.104 1
1 1383 . 16 1 1 A 109 109 LYS N N 109 122.966 119.163 3.803 1
1 14 . 17 1 1 A 2 2 LEU H H 2 8.858 8.164 0.694 1
1 15 . 17 1 1 A 2 2 LEU HA H 2 4.010 3.955 0.055 1
1 25 . 17 1 1 A 2 2 LEU C C 2 179.512 178.222 1.290 1
1 26 . 17 1 1 A 2 2 LEU CA C 2 57.230 56.543 0.687 1
1 27 . 17 1 1 A 2 2 LEU CB C 2 41.500 41.593 -0.093 1
1 31 . 17 1 1 A 2 2 LEU N N 2 124.589 123.487 1.102 1
1 32 . 17 1 1 A 3 3 GLU H H 3 9.299 9.003 0.296 1
1 33 . 17 1 1 A 3 3 GLU HA H 3 4.234 4.608 -0.374 1
1 38 . 17 1 1 A 3 3 GLU C C 3 178.189 178.640 -0.451 1
1 39 . 17 1 1 A 3 3 GLU CA C 3 59.930 58.481 1.449 1
1 40 . 17 1 1 A 3 3 GLU CB C 3 28.810 28.004 0.806 1
1 42 . 17 1 1 A 3 3 GLU N N 3 118.833 121.777 -2.944 1
1 43 . 17 1 1 A 4 4 ASP H H 4 8.188 8.266 -0.078 1
1 44 . 17 1 1 A 4 4 ASP HA H 4 4.524 4.436 0.088 1
1 47 . 17 1 1 A 4 4 ASP C C 4 176.722 177.760 -1.038 1
1 48 . 17 1 1 A 4 4 ASP CA C 4 56.240 57.250 -1.010 1
1 49 . 17 1 1 A 4 4 ASP CB C 4 39.910 40.878 -0.968 1
1 50 . 17 1 1 A 4 4 ASP N N 4 118.286 121.814 -3.528 1
1 51 . 17 1 1 A 5 5 TYR H H 5 8.336 8.004 0.332 1
1 52 . 17 1 1 A 5 5 TYR HA H 5 4.284 4.623 -0.339 1
1 59 . 17 1 1 A 5 5 TYR C C 5 172.456 175.840 -3.384 1
1 60 . 17 1 1 A 5 5 TYR CA C 5 58.770 59.162 -0.392 1
1 61 . 17 1 1 A 5 5 TYR CB C 5 37.820 37.648 0.172 1
1 64 . 17 1 1 A 5 5 TYR N N 5 119.641 115.906 3.735 1
1 65 . 17 1 1 A 6 6 ALA H H 6 6.748 7.322 -0.574 1
1 66 . 17 1 1 A 6 6 ALA HA H 6 3.470 3.342 0.128 1
1 70 . 17 1 1 A 6 6 ALA C C 6 178.122 176.236 1.886 1
1 71 . 17 1 1 A 6 6 ALA CA C 6 51.440 51.309 0.131 1
1 72 . 17 1 1 A 6 6 ALA CB C 6 19.600 18.523 1.077 1
1 73 . 17 1 1 A 6 6 ALA N N 6 122.727 123.296 -0.569 1
1 74 . 17 1 1 A 7 7 ILE H H 7 8.665 7.970 0.695 1
1 75 . 17 1 1 A 7 7 ILE HA H 7 4.303 4.354 -0.051 1
1 85 . 17 1 1 A 7 7 ILE C C 7 174.386 175.825 -1.439 1
1 86 . 17 1 1 A 7 7 ILE CA C 7 58.640 60.406 -1.766 1
1 87 . 17 1 1 A 7 7 ILE CB C 7 39.820 38.084 1.736 1
1 91 . 17 1 1 A 7 7 ILE N N 7 124.318 124.275 0.043 1
1 92 . 17 1 1 A 8 8 SER H H 8 8.884 8.626 0.258 1
1 93 . 17 1 1 A 8 8 SER HA H 8 4.881 4.507 0.374 1
1 96 . 17 1 1 A 8 8 SER C C 8 176.268 175.130 1.138 1
1 97 . 17 1 1 A 8 8 SER CA C 8 57.157 58.461 -1.304 1
1 98 . 17 1 1 A 8 8 SER CB C 8 64.390 64.200 0.190 1
1 99 . 17 1 1 A 8 8 SER N N 8 122.739 122.750 -0.011 1
1 100 . 17 1 1 A 9 9 LEU H H 9 8.077 8.712 -0.635 1
1 101 . 17 1 1 A 9 9 LEU HA H 9 3.652 3.979 -0.327 1
1 111 . 17 1 1 A 9 9 LEU C C 9 175.322 178.308 -2.986 1
1 112 . 17 1 1 A 9 9 LEU CA C 9 57.190 57.885 -0.695 1
1 113 . 17 1 1 A 9 9 LEU CB C 9 42.290 41.616 0.674 1
1 117 . 17 1 1 A 9 9 LEU N N 9 126.321 127.994 -1.673 1
1 118 . 17 1 1 A 10 10 GLU H H 10 8.361 9.641 -1.280 1
1 119 . 17 1 1 A 10 10 GLU HA H 10 3.754 4.401 -0.647 1
1 124 . 17 1 1 A 10 10 GLU C C 10 176.452 177.922 -1.470 1
1 125 . 17 1 1 A 10 10 GLU CA C 10 58.470 59.069 -0.599 1
1 126 . 17 1 1 A 10 10 GLU CB C 10 29.480 28.853 0.627 1
1 128 . 17 1 1 A 10 10 GLU N N 10 112.911 117.209 -4.298 1
1 129 . 17 1 1 A 11 11 GLU H H 11 7.284 8.028 -0.744 1
1 130 . 17 1 1 A 11 11 GLU HA H 11 4.531 4.409 0.122 1
1 135 . 17 1 1 A 11 11 GLU C C 11 176.539 176.428 0.111 1
1 136 . 17 1 1 A 11 11 GLU CA C 11 55.240 56.507 -1.267 1
1 137 . 17 1 1 A 11 11 GLU CB C 11 32.160 29.431 2.729 1
1 139 . 17 1 1 A 11 11 GLU N N 11 114.276 116.434 -2.158 1
1 140 . 17 1 1 A 12 12 VAL H H 12 7.077 7.008 0.069 1
1 141 . 17 1 1 A 12 12 VAL HA H 12 3.677 3.982 -0.305 1
1 149 . 17 1 1 A 12 12 VAL C C 12 173.900 175.168 -1.268 1
1 150 . 17 1 1 A 12 12 VAL CA C 12 62.510 62.451 0.059 1
1 151 . 17 1 1 A 12 12 VAL CB C 12 31.920 32.043 -0.123 1
1 154 . 17 1 1 A 12 12 VAL N N 12 121.932 121.404 0.528 1
1 155 . 17 1 1 A 13 13 ASN H H 13 7.996 8.392 -0.396 1
1 156 . 17 1 1 A 13 13 ASN HA H 13 4.840 5.148 -0.308 1
1 161 . 17 1 1 A 13 13 ASN C C 13 176.876 175.050 1.826 1
1 162 . 17 1 1 A 13 13 ASN CA C 13 52.168 51.436 0.732 1
1 163 . 17 1 1 A 13 13 ASN CB C 13 38.500 39.353 -0.853 1
1 164 . 17 1 1 A 13 13 ASN N N 13 121.232 125.687 -4.455 1
1 166 . 17 1 1 A 14 14 PHE H H 14 6.268 7.887 -1.619 1
1 167 . 17 1 1 A 14 14 PHE HA H 14 3.868 4.046 -0.178 1
1 175 . 17 1 1 A 14 14 PHE C C 14 176.423 177.755 -1.332 1
1 176 . 17 1 1 A 14 14 PHE CA C 14 62.520 60.741 1.779 1
1 177 . 17 1 1 A 14 14 PHE CB C 14 38.780 38.519 0.261 1
1 181 . 17 1 1 A 14 14 PHE N N 14 120.637 121.530 -0.893 1
1 182 . 17 1 1 A 15 15 ASN H H 15 8.184 8.071 0.113 1
1 183 . 17 1 1 A 15 15 ASN HA H 15 4.602 4.430 0.172 1
1 188 . 17 1 1 A 15 15 ASN C C 15 175.738 177.278 -1.540 1
1 189 . 17 1 1 A 15 15 ASN CA C 15 55.240 55.877 -0.637 1
1 190 . 17 1 1 A 15 15 ASN CB C 15 38.270 38.009 0.261 1
1 191 . 17 1 1 A 15 15 ASN N N 15 113.599 117.138 -3.539 1
1 193 . 17 1 1 A 16 16 ASP H H 16 7.680 7.253 0.427 1
1 194 . 17 1 1 A 16 16 ASP HA H 16 4.450 4.253 0.197 1
1 197 . 17 1 1 A 16 16 ASP C C 16 174.589 175.448 -0.859 1
1 198 . 17 1 1 A 16 16 ASP CA C 16 54.860 55.655 -0.795 1
1 199 . 17 1 1 A 16 16 ASP CB C 16 41.140 40.782 0.358 1
1 200 . 17 1 1 A 16 16 ASP N N 16 117.808 117.902 -0.094 1
1 201 . 17 1 1 A 17 17 PHE H H 17 7.648 7.060 0.588 1
1 202 . 17 1 1 A 17 17 PHE HA H 17 4.788 5.059 -0.271 1
1 210 . 17 1 1 A 17 17 PHE C C 17 175.516 175.532 -0.016 1
1 211 . 17 1 1 A 17 17 PHE CA C 17 56.790 56.715 0.075 1
1 212 . 17 1 1 A 17 17 PHE CB C 17 44.090 41.678 2.412 1
1 216 . 17 1 1 A 17 17 PHE N N 17 116.207 115.826 0.381 1
1 217 . 17 1 1 A 18 18 ILE H H 18 8.674 9.192 -0.518 1
1 218 . 17 1 1 A 18 18 ILE HA H 18 4.335 4.501 -0.166 1
1 228 . 17 1 1 A 18 18 ILE C C 18 175.612 175.978 -0.366 1
1 229 . 17 1 1 A 18 18 ILE CA C 18 60.930 61.411 -0.481 1
1 230 . 17 1 1 A 18 18 ILE CB C 18 37.620 37.769 -0.149 1
1 234 . 17 1 1 A 18 18 ILE N N 18 121.498 123.408 -1.910 1
1 235 . 17 1 1 A 19 19 VAL H H 19 9.009 8.318 0.691 1
1 236 . 17 1 1 A 19 19 VAL HA H 19 4.760 4.708 0.052 1
1 244 . 17 1 1 A 19 19 VAL C C 19 175.622 175.283 0.339 1
1 245 . 17 1 1 A 19 19 VAL CA C 19 62.974 62.108 0.866 1
1 246 . 17 1 1 A 19 19 VAL CB C 19 32.770 32.267 0.503 1
1 249 . 17 1 1 A 19 19 VAL N N 19 129.378 128.506 0.872 1
1 250 . 17 1 1 A 20 20 VAL H H 20 9.606 8.861 0.745 1
1 251 . 17 1 1 A 20 20 VAL HA H 20 4.581 4.472 0.109 1
1 259 . 17 1 1 A 20 20 VAL C C 20 172.234 174.651 -2.417 1
1 260 . 17 1 1 A 20 20 VAL CA C 20 60.660 60.712 -0.052 1
1 261 . 17 1 1 A 20 20 VAL CB C 20 33.910 35.228 -1.318 1
1 264 . 17 1 1 A 20 20 VAL N N 20 131.965 126.544 5.421 1
1 265 . 17 1 1 A 21 21 ASP H H 21 8.367 8.781 -0.414 1
1 266 . 17 1 1 A 21 21 ASP HA H 21 4.105 4.176 -0.071 1
1 269 . 17 1 1 A 21 21 ASP C C 21 176.182 175.489 0.693 1
1 270 . 17 1 1 A 21 21 ASP CA C 21 50.850 53.338 -2.488 1
1 271 . 17 1 1 A 21 21 ASP CB C 21 43.460 40.790 2.670 1
1 272 . 17 1 1 A 21 21 ASP N N 21 129.516 127.630 1.886 1
1 273 . 17 1 1 A 22 22 VAL H H 22 8.095 7.941 0.154 1
1 274 . 17 1 1 A 22 22 VAL HA H 22 5.720 4.809 0.911 1
1 282 . 17 1 1 A 22 22 VAL C C 22 178.006 174.602 3.404 1
1 283 . 17 1 1 A 22 22 VAL CA C 22 58.990 61.304 -2.314 1
1 284 . 17 1 1 A 22 22 VAL CB C 22 30.150 31.086 -0.936 1
1 287 . 17 1 1 A 22 22 VAL N N 22 114.833 120.297 -5.464 1
1 288 . 17 1 1 A 23 23 ARG H H 23 7.467 8.083 -0.616 1
1 289 . 17 1 1 A 23 23 ARG HA H 23 4.358 4.572 -0.214 1
1 299 . 17 1 1 A 23 23 ARG C C 23 172.157 176.084 -3.927 1
1 300 . 17 1 1 A 23 23 ARG CA C 23 56.190 56.423 -0.233 1
1 301 . 17 1 1 A 23 23 ARG CB C 23 31.230 32.026 -0.796 1
1 304 . 17 1 1 A 23 23 ARG N N 23 120.418 125.462 -5.044 1
1 307 . 17 1 1 A 24 24 GLU H H 24 7.372 7.789 -0.417 1
1 308 . 17 1 1 A 24 24 GLU HA H 24 4.454 4.682 -0.228 1
1 313 . 17 1 1 A 24 24 GLU C C 24 178.807 176.207 2.600 1
1 314 . 17 1 1 A 24 24 GLU CA C 24 53.870 55.794 -1.924 1
1 315 . 17 1 1 A 24 24 GLU CB C 24 31.610 33.348 -1.738 1
1 317 . 17 1 1 A 24 24 GLU N N 24 111.001 116.275 -5.274 1
1 318 . 17 1 1 A 25 25 LEU H H 25 8.842 8.643 0.199 1
1 319 . 17 1 1 A 25 25 LEU HA H 25 3.922 3.907 0.015 1
1 329 . 17 1 1 A 25 25 LEU C C 25 177.591 177.653 -0.062 1
1 330 . 17 1 1 A 25 25 LEU CA C 25 58.800 59.042 -0.242 1
1 331 . 17 1 1 A 25 25 LEU CB C 25 42.000 41.748 0.252 1
1 335 . 17 1 1 A 25 25 LEU N N 25 122.468 126.421 -3.953 1
1 336 . 17 1 1 A 26 26 ASP H H 26 8.671 8.001 0.670 1
1 337 . 17 1 1 A 26 26 ASP HA H 26 4.389 4.437 -0.048 1
1 340 . 17 1 1 A 26 26 ASP C C 26 178.739 178.207 0.532 1
1 341 . 17 1 1 A 26 26 ASP CA C 26 56.540 57.904 -1.364 1
1 342 . 17 1 1 A 26 26 ASP CB C 26 39.570 42.401 -2.831 1
1 343 . 17 1 1 A 26 26 ASP N N 26 114.189 118.511 -4.322 1
1 344 . 17 1 1 A 27 27 GLU H H 27 7.235 8.179 -0.944 1
1 345 . 17 1 1 A 27 27 GLU HA H 27 4.304 4.050 0.254 1
1 350 . 17 1 1 A 27 27 GLU C C 27 177.678 178.702 -1.024 1
1 351 . 17 1 1 A 27 27 GLU CA C 27 58.830 59.289 -0.459 1
1 352 . 17 1 1 A 27 27 GLU CB C 27 30.650 29.573 1.077 1
1 354 . 17 1 1 A 27 27 GLU N N 27 120.618 119.063 1.555 1
1 355 . 17 1 1 A 28 28 TYR H H 28 7.703 8.280 -0.577 1
1 356 . 17 1 1 A 28 28 TYR HA H 28 4.149 4.035 0.114 1
1 363 . 17 1 1 A 28 28 TYR C C 28 177.108 177.954 -0.846 1
1 364 . 17 1 1 A 28 28 TYR CA C 28 60.600 61.308 -0.708 1
1 365 . 17 1 1 A 28 28 TYR CB C 28 39.300 38.319 0.981 1
1 370 . 17 1 1 A 28 28 TYR N N 28 121.871 121.722 0.149 1
1 371 . 17 1 1 A 29 29 GLU H H 29 8.727 8.084 0.643 1
1 372 . 17 1 1 A 29 29 GLU HA H 29 3.823 3.799 0.024 1
1 377 . 17 1 1 A 29 29 GLU C C 29 177.456 178.761 -1.305 1
1 378 . 17 1 1 A 29 29 GLU CA C 29 58.770 59.791 -1.021 1
1 379 . 17 1 1 A 29 29 GLU CB C 29 29.880 29.490 0.390 1
1 381 . 17 1 1 A 29 29 GLU N N 29 116.326 118.198 -1.872 1
1 382 . 17 1 1 A 30 30 GLU H H 30 7.225 8.083 -0.858 1
1 383 . 17 1 1 A 30 30 GLU HA H 30 4.219 4.196 0.023 1
1 388 . 17 1 1 A 30 30 GLU C C 30 177.012 176.443 0.569 1
1 389 . 17 1 1 A 30 30 GLU CA C 30 59.750 59.164 0.586 1
1 390 . 17 1 1 A 30 30 GLU CB C 30 29.310 29.308 0.002 1
1 392 . 17 1 1 A 30 30 GLU N N 30 119.394 118.106 1.288 1
1 393 . 17 1 1 A 31 31 LEU H H 31 7.512 7.229 0.283 1
1 394 . 17 1 1 A 31 31 LEU HA H 31 5.102 4.750 0.352 1
1 404 . 17 1 1 A 31 31 LEU C C 31 173.363 174.612 -1.249 1
1 405 . 17 1 1 A 31 31 LEU CA C 31 55.760 53.867 1.893 1
1 406 . 17 1 1 A 31 31 LEU CB C 31 42.880 44.227 -1.347 1
1 410 . 17 1 1 A 31 31 LEU N N 31 118.039 116.750 1.289 1
1 411 . 17 1 1 A 32 32 HIS H H 32 8.196 8.209 -0.013 1
1 412 . 17 1 1 A 32 32 HIS HA H 32 4.433 5.004 -0.571 1
1 417 . 17 1 1 A 32 32 HIS C C 32 171.973 171.832 0.141 1
1 418 . 17 1 1 A 32 32 HIS CA C 32 54.660 54.318 0.342 1
1 419 . 17 1 1 A 32 32 HIS CB C 32 31.500 31.164 0.336 1
1 422 . 17 1 1 A 32 32 HIS N N 32 114.425 114.763 -0.338 1
1 423 . 17 1 1 A 33 33 LEU H H 33 10.099 8.662 1.437 1
1 424 . 17 1 1 A 33 33 LEU HA H 33 4.745 4.226 0.519 1
1 434 . 17 1 1 A 33 33 LEU CA C 33 53.423 52.738 0.685 1
1 435 . 17 1 1 A 33 33 LEU CB C 33 42.750 41.338 1.412 1
1 439 . 17 1 1 A 33 33 LEU N N 33 124.819 121.103 3.716 1
1 440 . 17 1 1 A 34 34 PRO HA H 34 4.328 4.429 -0.101 1
1 447 . 17 1 1 A 34 34 PRO C C 34 177.012 176.964 0.048 1
1 448 . 17 1 1 A 34 34 PRO CA C 34 64.440 64.340 0.100 1
1 449 . 17 1 1 A 34 34 PRO CB C 34 31.660 31.672 -0.012 1
1 452 . 17 1 1 A 35 35 ASN H H 35 8.736 8.133 0.603 1
1 453 . 17 1 1 A 35 35 ASN HA H 35 4.701 4.939 -0.238 1
1 458 . 17 1 1 A 35 35 ASN C C 35 174.801 175.273 -0.472 1
1 459 . 17 1 1 A 35 35 ASN CA C 35 53.470 52.937 0.533 1
1 460 . 17 1 1 A 35 35 ASN CB C 35 37.650 39.069 -1.419 1
1 461 . 17 1 1 A 35 35 ASN N N 35 113.231 115.438 -2.207 1
1 463 . 17 1 1 A 36 36 ALA H H 36 7.434 7.293 0.141 1
1 464 . 17 1 1 A 36 36 ALA HA H 36 4.523 4.629 -0.106 1
1 468 . 17 1 1 A 36 36 ALA C C 36 177.494 176.908 0.586 1
1 469 . 17 1 1 A 36 36 ALA CA C 36 52.700 50.767 1.933 1
1 470 . 17 1 1 A 36 36 ALA CB C 36 21.760 20.566 1.194 1
1 471 . 17 1 1 A 36 36 ALA N N 36 122.419 123.128 -0.709 1
1 472 . 17 1 1 A 37 37 THR H H 37 8.334 8.863 -0.529 1
1 473 . 17 1 1 A 37 37 THR HA H 37 4.184 4.488 -0.304 1
1 479 . 17 1 1 A 37 37 THR C C 37 172.359 173.846 -1.487 1
1 480 . 17 1 1 A 37 37 THR CA C 37 63.020 63.132 -0.112 1
1 481 . 17 1 1 A 37 37 THR CB C 37 69.800 69.286 0.514 1
1 483 . 17 1 1 A 37 37 THR N N 37 121.183 118.986 2.197 1
1 484 . 17 1 1 A 38 38 LEU H H 38 8.306 8.564 -0.258 1
1 485 . 17 1 1 A 38 38 LEU HA H 38 4.815 4.493 0.322 1
1 495 . 17 1 1 A 38 38 LEU C C 38 176.529 175.004 1.525 1
1 496 . 17 1 1 A 38 38 LEU CA C 38 53.873 54.604 -0.731 1
1 497 . 17 1 1 A 38 38 LEU CB C 38 41.830 42.085 -0.255 1
1 501 . 17 1 1 A 38 38 LEU N N 38 130.981 129.908 1.073 1
1 502 . 17 1 1 A 39 39 ILE H H 39 8.612 8.142 0.470 1
1 503 . 17 1 1 A 39 39 ILE HA H 39 3.779 4.602 -0.823 1
1 513 . 17 1 1 A 39 39 ILE C C 39 172.186 174.537 -2.351 1
1 514 . 17 1 1 A 39 39 ILE CA C 39 62.040 59.805 2.235 1
1 515 . 17 1 1 A 39 39 ILE CB C 39 40.360 42.189 -1.829 1
1 519 . 17 1 1 A 39 39 ILE N N 39 131.100 129.178 1.922 1
1 520 . 17 1 1 A 40 40 SER H H 40 8.123 8.863 -0.740 1
1 521 . 17 1 1 A 40 40 SER HA H 40 3.904 4.612 -0.708 1
1 524 . 17 1 1 A 40 40 SER C C 40 177.629 175.323 2.306 1
1 525 . 17 1 1 A 40 40 SER CA C 40 58.810 59.137 -0.327 1
1 526 . 17 1 1 A 40 40 SER CB C 40 63.090 63.395 -0.305 1
1 527 . 17 1 1 A 40 40 SER N N 40 118.068 122.726 -4.658 1
1 528 . 17 1 1 A 41 41 VAL H H 41 7.739 8.610 -0.871 1
1 529 . 17 1 1 A 41 41 VAL HA H 41 3.913 3.849 0.064 1
1 537 . 17 1 1 A 41 41 VAL C C 41 174.714 177.162 -2.448 1
1 538 . 17 1 1 A 41 41 VAL CA C 41 58.990 64.830 -5.840 1
1 539 . 17 1 1 A 41 41 VAL CB C 41 31.730 31.848 -0.118 1
1 542 . 17 1 1 A 41 41 VAL N N 41 124.290 127.197 -2.907 1
1 543 . 17 1 1 A 42 42 ASN H H 42 8.344 8.637 -0.293 1
1 544 . 17 1 1 A 42 42 ASN HA H 42 4.630 4.585 0.045 1
1 549 . 17 1 1 A 42 42 ASN C C 42 175.699 175.523 0.176 1
1 550 . 17 1 1 A 42 42 ASN CA C 42 54.860 54.476 0.384 1
1 551 . 17 1 1 A 42 42 ASN CB C 42 38.610 37.228 1.382 1
1 552 . 17 1 1 A 42 42 ASN N N 42 116.715 116.296 0.419 1
1 554 . 17 1 1 A 43 43 ASP H H 43 8.417 7.510 0.907 1
1 555 . 17 1 1 A 43 43 ASP HA H 43 5.021 4.898 0.123 1
1 558 . 17 1 1 A 43 43 ASP C C 43 175.699 176.159 -0.460 1
1 559 . 17 1 1 A 43 43 ASP CA C 43 52.300 52.519 -0.219 1
1 560 . 17 1 1 A 43 43 ASP CB C 43 39.540 39.101 0.439 1
1 561 . 17 1 1 A 43 43 ASP N N 43 125.038 119.951 5.087 1
1 562 . 17 1 1 A 44 44 GLN H H 44 7.762 8.447 -0.685 1
1 563 . 17 1 1 A 44 44 GLN HA H 44 3.815 4.049 -0.234 1
1 570 . 17 1 1 A 44 44 GLN C C 44 178.430 177.832 0.598 1
1 571 . 17 1 1 A 44 44 GLN CA C 44 59.650 58.823 0.827 1
1 572 . 17 1 1 A 44 44 GLN CB C 44 28.760 28.316 0.444 1
1 574 . 17 1 1 A 44 44 GLN N N 44 119.490 122.279 -2.789 1
1 576 . 17 1 1 A 45 45 GLU H H 45 8.705 8.406 0.299 1
1 577 . 17 1 1 A 45 45 GLU HA H 45 4.059 4.079 -0.020 1
1 582 . 17 1 1 A 45 45 GLU C C 45 178.739 178.869 -0.130 1
1 583 . 17 1 1 A 45 45 GLU CA C 45 59.660 59.363 0.297 1
1 584 . 17 1 1 A 45 45 GLU CB C 45 28.900 28.943 -0.043 1
1 586 . 17 1 1 A 45 45 GLU N N 45 119.373 118.282 1.091 1
1 587 . 17 1 1 A 46 46 LYS H H 46 7.545 7.753 -0.208 1
1 588 . 17 1 1 A 46 46 LYS HA H 46 4.119 4.166 -0.047 1
1 597 . 17 1 1 A 46 46 LYS C C 46 179.579 179.047 0.532 1
1 598 . 17 1 1 A 46 46 LYS CA C 46 58.940 59.268 -0.328 1
1 599 . 17 1 1 A 46 46 LYS CB C 46 32.750 32.116 0.634 1
1 603 . 17 1 1 A 46 46 LYS N N 46 120.645 119.826 0.819 1
1 604 . 17 1 1 A 47 47 LEU H H 47 8.005 7.986 0.019 1
1 605 . 17 1 1 A 47 47 LEU HA H 47 4.059 3.932 0.127 1
1 615 . 17 1 1 A 47 47 LEU C C 47 177.436 178.773 -1.337 1
1 616 . 17 1 1 A 47 47 LEU CA C 47 58.090 57.807 0.283 1
1 617 . 17 1 1 A 47 47 LEU CB C 47 41.150 41.490 -0.340 1
1 621 . 17 1 1 A 47 47 LEU N N 47 122.201 119.721 2.480 1
1 622 . 17 1 1 A 48 48 ALA H H 48 8.239 8.414 -0.175 1
1 623 . 17 1 1 A 48 48 ALA HA H 48 3.733 3.681 0.052 1
1 627 . 17 1 1 A 48 48 ALA C C 48 179.347 178.637 0.710 1
1 628 . 17 1 1 A 48 48 ALA CA C 48 55.420 55.169 0.251 1
1 629 . 17 1 1 A 48 48 ALA CB C 48 18.240 17.771 0.469 1
1 630 . 17 1 1 A 48 48 ALA N N 48 121.483 121.655 -0.172 1
1 631 . 17 1 1 A 49 49 ASP H H 49 8.001 8.025 -0.024 1
1 632 . 17 1 1 A 49 49 ASP HA H 49 4.308 4.363 -0.055 1
1 635 . 17 1 1 A 49 49 ASP C C 49 179.106 178.115 0.991 1
1 636 . 17 1 1 A 49 49 ASP CA C 49 57.350 57.200 0.150 1
1 637 . 17 1 1 A 49 49 ASP CB C 49 41.250 41.129 0.121 1
1 638 . 17 1 1 A 49 49 ASP N N 49 117.231 118.649 -1.418 1
1 639 . 17 1 1 A 50 50 PHE H H 50 8.265 8.021 0.244 1
1 640 . 17 1 1 A 50 50 PHE HA H 50 4.101 4.122 -0.021 1
1 647 . 17 1 1 A 50 50 PHE C C 50 179.048 176.995 2.053 1
1 648 . 17 1 1 A 50 50 PHE CA C 50 62.590 60.897 1.693 1
1 649 . 17 1 1 A 50 50 PHE CB C 50 39.810 39.360 0.450 1
1 651 . 17 1 1 A 50 50 PHE N N 50 122.379 120.499 1.880 1
1 652 . 17 1 1 A 51 51 LEU H H 51 8.653 7.811 0.842 1
1 653 . 17 1 1 A 51 51 LEU HA H 51 3.789 3.866 -0.077 1
1 663 . 17 1 1 A 51 51 LEU C C 51 180.400 178.863 1.537 1
1 664 . 17 1 1 A 51 51 LEU CA C 51 58.140 56.582 1.558 1
1 665 . 17 1 1 A 51 51 LEU CB C 51 38.770 41.380 -2.610 1
1 669 . 17 1 1 A 51 51 LEU N N 51 120.277 119.242 1.035 1
1 670 . 17 1 1 A 52 52 SER H H 52 8.332 8.040 0.292 1
1 671 . 17 1 1 A 52 52 SER HA H 52 4.160 4.357 -0.197 1
1 674 . 17 1 1 A 52 52 SER C C 52 176.220 176.745 -0.525 1
1 675 . 17 1 1 A 52 52 SER CA C 52 61.840 60.737 1.103 1
1 676 . 17 1 1 A 52 52 SER CB C 52 62.850 63.296 -0.446 1
1 677 . 17 1 1 A 52 52 SER N N 52 115.630 115.778 -0.148 1
1 678 . 17 1 1 A 53 53 GLN H H 53 7.405 7.434 -0.029 1
1 679 . 17 1 1 A 53 53 GLN HA H 53 4.092 4.113 -0.021 1
1 686 . 17 1 1 A 53 53 GLN C C 53 176.046 175.803 0.243 1
1 687 . 17 1 1 A 53 53 GLN CA C 53 56.560 58.082 -1.522 1
1 688 . 17 1 1 A 53 53 GLN CB C 53 28.580 29.209 -0.629 1
1 690 . 17 1 1 A 53 53 GLN N N 53 119.056 117.852 1.204 1
1 692 . 17 1 1 A 54 54 HIS H H 54 7.311 7.542 -0.231 1
1 693 . 17 1 1 A 54 54 HIS HA H 54 4.754 4.864 -0.110 1
1 696 . 17 1 1 A 54 54 HIS C C 54 175.467 175.165 0.302 1
1 697 . 17 1 1 A 54 54 HIS CA C 54 55.562 54.577 0.985 1
1 698 . 17 1 1 A 54 54 HIS CB C 54 29.650 32.721 -3.071 1
1 699 . 17 1 1 A 54 54 HIS N N 54 117.800 116.367 1.433 1
1 700 . 17 1 1 A 55 55 LYS H H 55 7.646 8.642 -0.996 1
1 701 . 17 1 1 A 55 55 LYS HA H 55 4.296 4.514 -0.218 1
1 710 . 17 1 1 A 55 55 LYS C C 55 176.741 177.241 -0.500 1
1 711 . 17 1 1 A 55 55 LYS CA C 55 58.710 58.931 -0.221 1
1 712 . 17 1 1 A 55 55 LYS CB C 55 32.370 32.974 -0.604 1
1 716 . 17 1 1 A 55 55 LYS N N 55 119.903 123.554 -3.651 1
1 717 . 17 1 1 A 56 56 ASP H H 56 8.853 7.656 1.197 1
1 718 . 17 1 1 A 56 56 ASP HA H 56 4.655 4.845 -0.190 1
1 721 . 17 1 1 A 56 56 ASP C C 56 175.158 174.807 0.351 1
1 722 . 17 1 1 A 56 56 ASP CA C 56 53.930 53.515 0.415 1
1 723 . 17 1 1 A 56 56 ASP CB C 56 40.220 40.502 -0.282 1
1 724 . 17 1 1 A 56 56 ASP N N 56 116.429 119.066 -2.637 1
1 725 . 17 1 1 A 57 57 LYS H H 57 7.655 8.032 -0.377 1
1 726 . 17 1 1 A 57 57 LYS HA H 57 4.701 5.068 -0.367 1
1 735 . 17 1 1 A 57 57 LYS C C 57 175.236 174.498 0.738 1
1 736 . 17 1 1 A 57 57 LYS CA C 57 53.830 54.992 -1.162 1
1 737 . 17 1 1 A 57 57 LYS CB C 57 35.550 36.028 -0.478 1
1 741 . 17 1 1 A 57 57 LYS N N 57 119.510 122.789 -3.279 1
1 742 . 17 1 1 A 58 58 LYS H H 58 8.265 8.488 -0.223 1
1 743 . 17 1 1 A 58 58 LYS HA H 58 4.745 4.748 -0.003 1
1 752 . 17 1 1 A 58 58 LYS C C 58 175.651 174.996 0.655 1
1 753 . 17 1 1 A 58 58 LYS CA C 58 56.870 56.156 0.714 1
1 754 . 17 1 1 A 58 58 LYS CB C 58 33.250 33.040 0.210 1
1 758 . 17 1 1 A 58 58 LYS N N 58 120.091 123.482 -3.391 1
1 759 . 17 1 1 A 59 59 VAL H H 59 9.233 8.670 0.563 1
1 760 . 17 1 1 A 59 59 VAL HA H 59 5.231 5.291 -0.060 1
1 768 . 17 1 1 A 59 59 VAL C C 59 173.556 174.143 -0.587 1
1 769 . 17 1 1 A 59 59 VAL CA C 59 60.930 61.158 -0.228 1
1 770 . 17 1 1 A 59 59 VAL CB C 59 34.300 34.526 -0.226 1
1 772 . 17 1 1 A 59 59 VAL N N 59 127.047 126.971 0.076 1
1 773 . 17 1 1 A 60 60 LEU H H 60 9.228 9.002 0.226 1
1 774 . 17 1 1 A 60 60 LEU HA H 60 4.815 5.198 -0.383 1
1 784 . 17 1 1 A 60 60 LEU C C 60 173.421 175.159 -1.738 1
1 785 . 17 1 1 A 60 60 LEU CA C 60 52.586 53.559 -0.973 1
1 786 . 17 1 1 A 60 60 LEU CB C 60 45.660 44.802 0.858 1
1 790 . 17 1 1 A 60 60 LEU N N 60 129.197 130.092 -0.895 1
1 791 . 17 1 1 A 61 61 LEU H H 61 9.055 9.042 0.013 1
1 792 . 17 1 1 A 61 61 LEU HA H 61 5.713 4.764 0.949 1
1 802 . 17 1 1 A 61 61 LEU C C 61 176.683 176.740 -0.057 1
1 803 . 17 1 1 A 61 61 LEU CA C 61 52.760 54.501 -1.741 1
1 804 . 17 1 1 A 61 61 LEU CB C 61 43.220 41.000 2.220 1
1 808 . 17 1 1 A 61 61 LEU N N 61 125.903 128.985 -3.082 1
1 809 . 17 1 1 A 62 62 HIS H H 62 9.148 8.846 0.302 1
1 810 . 17 1 1 A 62 62 HIS HA H 62 5.440 5.229 0.211 1
1 816 . 17 1 1 A 62 62 HIS C C 62 172.301 173.849 -1.548 1
1 817 . 17 1 1 A 62 62 HIS CA C 62 54.580 55.069 -0.489 1
1 818 . 17 1 1 A 62 62 HIS CB C 62 33.980 31.110 2.870 1
1 821 . 17 1 1 A 62 62 HIS N N 62 119.183 122.128 -2.945 1
1 823 . 17 1 1 A 63 63 CYS H H 63 9.389 8.243 1.146 1
1 824 . 17 1 1 A 63 63 CYS HA H 63 5.021 4.755 0.266 1
1 827 . 17 1 1 A 63 63 CYS C C 63 177.649 175.553 2.096 1
1 828 . 17 1 1 A 63 63 CYS CA C 63 56.460 57.276 -0.816 1
1 829 . 17 1 1 A 63 63 CYS CB C 63 29.400 30.283 -0.883 1
1 830 . 17 1 1 A 63 63 CYS N N 63 120.896 120.636 0.260 1
1 831 . 17 1 1 A 64 64 ARG H H 64 8.658 8.916 -0.258 1
1 832 . 17 1 1 A 64 64 ARG HA H 64 4.425 3.927 0.498 1
1 839 . 17 1 1 A 64 64 ARG C C 64 174.724 177.264 -2.540 1
1 840 . 17 1 1 A 64 64 ARG CA C 64 59.000 59.267 -0.267 1
1 841 . 17 1 1 A 64 64 ARG CB C 64 30.820 30.119 0.701 1
1 844 . 17 1 1 A 64 64 ARG N N 64 130.651 127.279 3.372 1
1 845 . 17 1 1 A 65 65 ALA H H 65 8.166 7.688 0.478 1
1 846 . 17 1 1 A 65 65 ALA HA H 65 5.399 4.657 0.742 1
1 850 . 17 1 1 A 65 65 ALA C C 65 177.909 177.399 0.510 1
1 851 . 17 1 1 A 65 65 ALA CA C 65 52.020 53.258 -1.238 1
1 852 . 17 1 1 A 65 65 ALA CB C 65 20.270 21.520 -1.250 1
1 853 . 17 1 1 A 65 65 ALA N N 65 118.548 118.646 -0.098 1
1 854 . 17 1 1 A 66 66 GLY H H 66 9.300 7.327 1.973 1
1 855 . 17 1 1 A 66 66 GLY HA2 H 66 4.872 4.106 0.766 1
1 856 . 17 1 1 A 66 66 GLY HA3 H 66 4.450 4.130 0.320 1
1 857 . 17 1 1 A 66 66 GLY C C 66 176.761 174.780 1.981 1
1 858 . 17 1 1 A 66 66 GLY CA C 66 46.630 45.615 1.015 1
1 859 . 17 1 1 A 66 66 GLY N N 66 114.644 105.696 8.948 1
1 860 . 17 1 1 A 67 67 ARG H H 67 8.118 8.052 0.066 1
1 861 . 17 1 1 A 67 67 ARG HA H 67 4.141 4.032 0.109 1
1 871 . 17 1 1 A 67 67 ARG C C 67 178.691 178.701 -0.010 1
1 872 . 17 1 1 A 67 67 ARG CA C 67 60.930 58.704 2.226 1
1 873 . 17 1 1 A 67 67 ARG CB C 67 31.240 29.692 1.548 1
1 876 . 17 1 1 A 67 67 ARG N N 67 121.922 122.137 -0.215 1
1 879 . 17 1 1 A 68 68 ARG H H 68 9.366 7.611 1.755 1
1 880 . 17 1 1 A 68 68 ARG HA H 68 4.282 4.005 0.277 1
1 887 . 17 1 1 A 68 68 ARG C C 68 178.681 179.039 -0.358 1
1 888 . 17 1 1 A 68 68 ARG CA C 68 59.410 58.917 0.493 1
1 889 . 17 1 1 A 68 68 ARG CB C 68 30.760 29.669 1.091 1
1 892 . 17 1 1 A 68 68 ARG N N 68 123.821 119.116 4.705 1
1 893 . 17 1 1 A 69 69 ALA H H 69 10.112 8.057 2.055 1
1 894 . 17 1 1 A 69 69 ALA HA H 69 3.800 4.081 -0.281 1
1 898 . 17 1 1 A 69 69 ALA C C 69 178.334 179.804 -1.470 1
1 899 . 17 1 1 A 69 69 ALA CA C 69 55.960 55.227 0.733 1
1 900 . 17 1 1 A 69 69 ALA CB C 69 17.730 18.811 -1.081 1
1 901 . 17 1 1 A 69 69 ALA N N 69 125.465 122.049 3.416 1
1 902 . 17 1 1 A 70 70 LEU H H 70 7.746 7.714 0.032 1
1 903 . 17 1 1 A 70 70 LEU HA H 70 3.340 2.946 0.394 1
1 913 . 17 1 1 A 70 70 LEU C C 70 177.996 177.603 0.393 1
1 914 . 17 1 1 A 70 70 LEU CA C 70 57.950 57.714 0.236 1
1 915 . 17 1 1 A 70 70 LEU CB C 70 40.720 41.506 -0.786 1
1 919 . 17 1 1 A 70 70 LEU N N 70 118.427 119.472 -1.045 1
1 920 . 17 1 1 A 71 71 ASP H H 71 7.662 8.353 -0.691 1
1 921 . 17 1 1 A 71 71 ASP HA H 71 4.236 4.158 0.078 1
1 924 . 17 1 1 A 71 71 ASP C C 71 179.560 178.033 1.527 1
1 925 . 17 1 1 A 71 71 ASP CA C 71 57.880 57.740 0.140 1
1 926 . 17 1 1 A 71 71 ASP CB C 71 40.340 41.421 -1.081 1
1 927 . 17 1 1 A 71 71 ASP N N 71 120.180 118.812 1.368 1
1 928 . 17 1 1 A 72 72 ALA H H 72 8.796 7.784 1.012 1
1 929 . 17 1 1 A 72 72 ALA HA H 72 4.101 4.019 0.082 1
1 933 . 17 1 1 A 72 72 ALA C C 72 179.203 179.792 -0.589 1
1 934 . 17 1 1 A 72 72 ALA CA C 72 54.670 55.131 -0.461 1
1 935 . 17 1 1 A 72 72 ALA CB C 72 18.490 18.239 0.251 1
1 936 . 17 1 1 A 72 72 ALA N N 72 122.299 120.983 1.316 1
1 937 . 17 1 1 A 73 73 ALA H H 73 8.672 7.984 0.688 1
1 938 . 17 1 1 A 73 73 ALA HA H 73 3.758 4.115 -0.357 1
1 942 . 17 1 1 A 73 73 ALA C C 73 179.251 179.969 -0.718 1
1 943 . 17 1 1 A 73 73 ALA CA C 73 55.950 55.221 0.729 1
1 944 . 17 1 1 A 73 73 ALA CB C 73 17.660 18.395 -0.735 1
1 945 . 17 1 1 A 73 73 ALA N N 73 121.294 119.869 1.425 1
1 946 . 17 1 1 A 74 74 LYS H H 74 8.914 8.073 0.841 1
1 947 . 17 1 1 A 74 74 LYS HA H 74 3.790 3.832 -0.042 1
1 956 . 17 1 1 A 74 74 LYS C C 74 179.589 179.350 0.239 1
1 957 . 17 1 1 A 74 74 LYS CA C 74 60.620 59.316 1.304 1
1 958 . 17 1 1 A 74 74 LYS CB C 74 32.330 32.262 0.068 1
1 962 . 17 1 1 A 74 74 LYS N N 74 119.404 117.801 1.603 1
1 963 . 17 1 1 A 75 75 SER H H 75 7.874 7.860 0.014 1
1 964 . 17 1 1 A 75 75 SER HA H 75 4.272 4.131 0.141 1
1 967 . 17 1 1 A 75 75 SER C C 75 176.944 177.016 -0.072 1
1 968 . 17 1 1 A 75 75 SER CA C 75 61.840 61.940 -0.100 1
1 969 . 17 1 1 A 75 75 SER CB C 75 62.990 62.796 0.194 1
1 970 . 17 1 1 A 75 75 SER N N 75 114.306 116.072 -1.766 1
1 971 . 17 1 1 A 76 76 MET H H 76 8.401 7.881 0.520 1
1 972 . 17 1 1 A 76 76 MET HA H 76 4.881 4.266 0.615 1
1 980 . 17 1 1 A 76 76 MET C C 76 179.811 178.848 0.963 1
1 981 . 17 1 1 A 76 76 MET CA C 76 56.060 59.008 -2.948 1
1 982 . 17 1 1 A 76 76 MET CB C 76 34.780 33.488 1.292 1
1 985 . 17 1 1 A 76 76 MET N N 76 119.510 119.740 -0.230 1
1 986 . 17 1 1 A 77 77 HIS H H 77 9.450 8.207 1.243 1
1 987 . 17 1 1 A 77 77 HIS HA H 77 5.148 4.768 0.380 1
1 992 . 17 1 1 A 77 77 HIS C C 77 181.596 177.992 3.604 1
1 993 . 17 1 1 A 77 77 HIS CA C 77 59.550 59.432 0.118 1
1 994 . 17 1 1 A 77 77 HIS CB C 77 30.720 29.740 0.980 1
1 997 . 17 1 1 A 77 77 HIS N N 77 123.245 117.777 5.468 1
1 998 . 17 1 1 A 78 78 GLU H H 78 7.832 8.184 -0.352 1
1 999 . 17 1 1 A 78 78 GLU HA H 78 4.159 4.126 0.033 1
1 1004 . 17 1 1 A 78 78 GLU C C 78 177.909 178.173 -0.264 1
1 1005 . 17 1 1 A 78 78 GLU CA C 78 59.110 59.242 -0.132 1
1 1006 . 17 1 1 A 78 78 GLU CB C 78 29.380 29.082 0.298 1
1 1008 . 17 1 1 A 78 78 GLU N N 78 121.124 119.809 1.315 1
1 1009 . 17 1 1 A 79 79 LEU H H 79 7.161 7.314 -0.153 1
1 1010 . 17 1 1 A 79 79 LEU HA H 79 4.360 4.155 0.205 1
1 1020 . 17 1 1 A 79 79 LEU C C 79 176.934 176.648 0.286 1
1 1021 . 17 1 1 A 79 79 LEU CA C 79 54.820 55.391 -0.571 1
1 1022 . 17 1 1 A 79 79 LEU CB C 79 43.300 42.566 0.734 1
1 1026 . 17 1 1 A 79 79 LEU N N 79 116.655 118.295 -1.640 1
1 1027 . 17 1 1 A 80 80 GLY H H 80 7.545 7.420 0.125 1
1 1028 . 17 1 1 A 80 80 GLY HA2 H 80 4.101 3.789 0.312 1
1 1029 . 17 1 1 A 80 80 GLY HA3 H 80 3.580 3.876 -0.296 1
1 1030 . 17 1 1 A 80 80 GLY C C 80 174.116 174.086 0.030 1
1 1031 . 17 1 1 A 80 80 GLY CA C 80 45.010 44.720 0.290 1
1 1032 . 17 1 1 A 80 80 GLY N N 80 105.216 105.478 -0.262 1
1 1033 . 17 1 1 A 81 81 TYR H H 81 7.519 7.595 -0.076 1
1 1034 . 17 1 1 A 81 81 TYR HA H 81 4.727 4.513 0.214 1
1 1041 . 17 1 1 A 81 81 TYR C C 81 174.377 174.602 -0.225 1
1 1042 . 17 1 1 A 81 81 TYR CA C 81 56.960 58.057 -1.097 1
1 1043 . 17 1 1 A 81 81 TYR CB C 81 40.310 39.517 0.793 1
1 1046 . 17 1 1 A 81 81 TYR N N 81 119.660 119.865 -0.205 1
1 1047 . 17 1 1 A 82 82 THR H H 82 8.786 8.756 0.030 1
1 1048 . 17 1 1 A 82 82 THR HA H 82 3.390 3.749 -0.359 1
1 1053 . 17 1 1 A 82 82 THR CA C 82 57.030 58.319 -1.289 1
1 1054 . 17 1 1 A 82 82 THR CB C 82 68.740 68.753 -0.013 1
1 1056 . 17 1 1 A 82 82 THR N N 82 105.368 113.814 -8.446 1
1 1057 . 17 1 1 A 83 83 PRO HA H 83 5.003 4.797 0.206 1
1 1064 . 17 1 1 A 83 83 PRO C C 83 175.699 176.249 -0.550 1
1 1065 . 17 1 1 A 83 83 PRO CA C 83 63.140 62.425 0.715 1
1 1066 . 17 1 1 A 83 83 PRO CB C 83 31.570 32.240 -0.670 1
1 1069 . 17 1 1 A 84 84 TYR H H 84 9.497 8.706 0.791 1
1 1070 . 17 1 1 A 84 84 TYR HA H 84 5.482 5.208 0.274 1
1 1077 . 17 1 1 A 84 84 TYR C C 84 175.506 175.091 0.415 1
1 1078 . 17 1 1 A 84 84 TYR CA C 84 57.570 57.860 -0.290 1
1 1079 . 17 1 1 A 84 84 TYR CB C 84 40.500 39.777 0.723 1
1 1082 . 17 1 1 A 84 84 TYR N N 84 119.880 120.209 -0.329 1
1 1083 . 17 1 1 A 85 85 TYR H H 85 8.570 8.375 0.195 1
1 1084 . 17 1 1 A 85 85 TYR HA H 85 5.730 5.492 0.238 1
1 1089 . 17 1 1 A 85 85 TYR C C 85 172.215 172.289 -0.074 1
1 1090 . 17 1 1 A 85 85 TYR CA C 85 55.240 56.157 -0.917 1
1 1091 . 17 1 1 A 85 85 TYR CB C 85 40.830 41.256 -0.426 1
1 1093 . 17 1 1 A 85 85 TYR N N 85 116.764 118.045 -1.281 1
1 1094 . 17 1 1 A 86 86 LEU H H 86 8.196 9.100 -0.904 1
1 1095 . 17 1 1 A 86 86 LEU HA H 86 4.881 5.235 -0.354 1
1 1105 . 17 1 1 A 86 86 LEU C C 86 177.552 174.654 2.898 1
1 1106 . 17 1 1 A 86 86 LEU CA C 86 53.376 53.632 -0.256 1
1 1107 . 17 1 1 A 86 86 LEU CB C 86 44.360 45.037 -0.677 1
1 1111 . 17 1 1 A 86 86 LEU N N 86 121.589 123.604 -2.015 1
1 1112 . 17 1 1 A 87 87 GLU H H 87 9.146 8.491 0.655 1
1 1113 . 17 1 1 A 87 87 GLU HA H 87 4.797 4.972 -0.175 1
1 1118 . 17 1 1 A 87 87 GLU C C 87 174.965 176.765 -1.800 1
1 1119 . 17 1 1 A 87 87 GLU CA C 87 55.405 55.633 -0.228 1
1 1120 . 17 1 1 A 87 87 GLU CB C 87 30.010 30.105 -0.095 1
1 1122 . 17 1 1 A 87 87 GLU N N 87 128.779 126.689 2.090 1
1 1123 . 17 1 1 A 88 88 GLY H H 88 7.349 8.429 -1.080 1
1 1124 . 17 1 1 A 88 88 GLY HA2 H 88 4.110 4.262 -0.152 1
1 1125 . 17 1 1 A 88 88 GLY HA3 H 88 4.023 4.323 -0.300 1
1 1126 . 17 1 1 A 88 88 GLY C C 88 170.593 172.008 -1.415 1
1 1127 . 17 1 1 A 88 88 GLY CA C 88 44.970 45.923 -0.953 1
1 1128 . 17 1 1 A 88 88 GLY N N 88 112.564 110.976 1.588 1
1 1129 . 17 1 1 A 89 89 ASN H H 89 8.756 8.569 0.187 1
1 1130 . 17 1 1 A 89 89 ASN HA H 89 5.722 5.048 0.674 1
1 1135 . 17 1 1 A 89 89 ASN C C 89 176.336 176.054 0.282 1
1 1136 . 17 1 1 A 89 89 ASN CA C 89 52.210 54.142 -1.932 1
1 1137 . 17 1 1 A 89 89 ASN CB C 89 40.950 38.795 2.155 1
1 1138 . 17 1 1 A 89 89 ASN N N 89 121.363 119.833 1.530 1
1 1140 . 17 1 1 A 90 90 VAL H H 90 8.928 8.470 0.458 1
1 1141 . 17 1 1 A 90 90 VAL HA H 90 4.425 2.359 2.066 1
1 1149 . 17 1 1 A 90 90 VAL C C 90 175.660 176.622 -0.962 1
1 1150 . 17 1 1 A 90 90 VAL CA C 90 58.930 63.997 -5.067 1
1 1151 . 17 1 1 A 90 90 VAL CB C 90 30.860 31.539 -0.679 1
1 1154 . 17 1 1 A 90 90 VAL N N 90 128.990 126.096 2.894 1
1 1155 . 17 1 1 A 91 91 TYR H H 91 8.330 7.794 0.536 1
1 1156 . 17 1 1 A 91 91 TYR HA H 91 4.016 4.253 -0.237 1
1 1163 . 17 1 1 A 91 91 TYR C C 91 175.718 177.659 -1.941 1
1 1164 . 17 1 1 A 91 91 TYR CA C 91 61.700 61.909 -0.209 1
1 1165 . 17 1 1 A 91 91 TYR CB C 91 36.580 37.514 -0.934 1
1 1168 . 17 1 1 A 91 91 TYR N N 91 119.510 119.235 0.275 1
1 1169 . 17 1 1 A 92 92 ASP H H 92 8.654 7.882 0.772 1
1 1170 . 17 1 1 A 92 92 ASP HA H 92 5.146 4.801 0.345 1
1 1173 . 17 1 1 A 92 92 ASP C C 92 177.224 179.133 -1.909 1
1 1174 . 17 1 1 A 92 92 ASP CA C 92 54.290 56.153 -1.863 1
1 1175 . 17 1 1 A 92 92 ASP CB C 92 42.670 40.751 1.919 1
1 1176 . 17 1 1 A 92 92 ASP N N 92 117.541 120.948 -3.407 1
1 1177 . 17 1 1 A 93 93 PHE H H 93 7.673 7.625 0.048 1
1 1178 . 17 1 1 A 93 93 PHE HA H 93 4.688 4.469 0.219 1
1 1186 . 17 1 1 A 93 93 PHE C C 93 179.270 178.376 0.894 1
1 1187 . 17 1 1 A 93 93 PHE CA C 93 60.340 61.818 -1.478 1
1 1188 . 17 1 1 A 93 93 PHE CB C 93 36.010 38.499 -2.489 1
1 1192 . 17 1 1 A 93 93 PHE N N 93 123.205 117.879 5.326 1
1 1193 . 17 1 1 A 94 94 GLU H H 94 9.164 8.621 0.543 1
1 1194 . 17 1 1 A 94 94 GLU HA H 94 4.676 4.442 0.234 1
1 1199 . 17 1 1 A 94 94 GLU C C 94 180.805 179.376 1.429 1
1 1200 . 17 1 1 A 94 94 GLU CA C 94 59.240 59.864 -0.624 1
1 1201 . 17 1 1 A 94 94 GLU CB C 94 29.640 29.206 0.434 1
1 1203 . 17 1 1 A 94 94 GLU N N 94 118.657 119.822 -1.165 1
1 1204 . 17 1 1 A 95 95 LYS H H 95 8.005 8.362 -0.357 1
1 1205 . 17 1 1 A 95 95 LYS HA H 95 4.103 4.216 -0.113 1
1 1214 . 17 1 1 A 95 95 LYS C C 95 177.948 177.486 0.462 1
1 1215 . 17 1 1 A 95 95 LYS CA C 95 58.680 58.647 0.033 1
1 1216 . 17 1 1 A 95 95 LYS CB C 95 31.690 31.514 0.176 1
1 1220 . 17 1 1 A 95 95 LYS N N 95 121.494 119.296 2.198 1
1 1221 . 17 1 1 A 96 96 TYR H H 96 7.710 7.843 -0.133 1
1 1222 . 17 1 1 A 96 96 TYR HA H 96 4.332 4.643 -0.311 1
1 1229 . 17 1 1 A 96 96 TYR C C 96 174.550 175.646 -1.096 1
1 1230 . 17 1 1 A 96 96 TYR CA C 96 59.370 58.149 1.221 1
1 1231 . 17 1 1 A 96 96 TYR CB C 96 38.340 38.971 -0.631 1
1 1234 . 17 1 1 A 96 96 TYR N N 96 117.421 118.507 -1.086 1
1 1235 . 17 1 1 A 97 97 GLY H H 97 7.796 7.716 0.080 1
1 1236 . 17 1 1 A 97 97 GLY HA2 H 97 3.966 3.835 0.131 1
1 1237 . 17 1 1 A 97 97 GLY HA3 H 97 3.580 4.002 -0.422 1
1 1238 . 17 1 1 A 97 97 GLY C C 97 173.662 174.279 -0.617 1
1 1239 . 17 1 1 A 97 97 GLY CA C 97 45.160 44.978 0.182 1
1 1240 . 17 1 1 A 97 97 GLY N N 97 105.806 106.455 -0.649 1
1 1241 . 17 1 1 A 98 98 PHE H H 98 7.323 7.844 -0.521 1
1 1242 . 17 1 1 A 98 98 PHE HA H 98 4.644 4.487 0.157 1
1 1250 . 17 1 1 A 98 98 PHE C C 98 173.353 175.405 -2.052 1
1 1251 . 17 1 1 A 98 98 PHE CA C 98 57.490 58.226 -0.736 1
1 1252 . 17 1 1 A 98 98 PHE CB C 98 38.550 39.555 -1.005 1
1 1256 . 17 1 1 A 98 98 PHE N N 98 120.718 119.675 1.043 1
1 1257 . 17 1 1 A 99 99 ARG H H 99 7.903 8.514 -0.611 1
1 1258 . 17 1 1 A 99 99 ARG HA H 99 4.283 4.337 -0.054 1
1 1265 . 17 1 1 A 99 99 ARG C C 99 175.680 176.093 -0.413 1
1 1266 . 17 1 1 A 99 99 ARG CA C 99 56.320 56.292 0.028 1
1 1267 . 17 1 1 A 99 99 ARG CB C 99 30.610 30.544 0.066 1
1 1270 . 17 1 1 A 99 99 ARG N N 99 122.817 124.093 -1.276 1
1 1271 . 17 1 1 A 100 100 MET H H 100 8.133 8.784 -0.651 1
1 1272 . 17 1 1 A 100 100 MET HA H 100 4.843 4.758 0.085 1
1 1280 . 17 1 1 A 100 100 MET C C 100 175.255 174.143 1.112 1
1 1281 . 17 1 1 A 100 100 MET CA C 100 52.343 54.211 -1.868 1
1 1282 . 17 1 1 A 100 100 MET CB C 100 34.410 36.899 -2.489 1
1 1285 . 17 1 1 A 100 100 MET N N 100 121.483 120.136 1.347 1
1 1286 . 17 1 1 A 101 101 VAL H H 101 8.471 8.423 0.048 1
1 1287 . 17 1 1 A 101 101 VAL HA H 101 3.890 4.424 -0.534 1
1 1295 . 17 1 1 A 101 101 VAL C C 101 175.351 174.778 0.573 1
1 1296 . 17 1 1 A 101 101 VAL CA C 101 61.500 61.078 0.422 1
1 1297 . 17 1 1 A 101 101 VAL CB C 101 31.730 31.928 -0.198 1
1 1300 . 17 1 1 A 101 101 VAL N N 101 119.940 121.981 -2.041 1
1 1301 . 17 1 1 A 102 102 TYR H H 102 8.612 8.893 -0.281 1
1 1302 . 17 1 1 A 102 102 TYR HA H 102 4.938 4.917 0.021 1
1 1309 . 17 1 1 A 102 102 TYR C C 102 175.892 175.259 0.633 1
1 1310 . 17 1 1 A 102 102 TYR CA C 102 57.140 56.532 0.608 1
1 1311 . 17 1 1 A 102 102 TYR CB C 102 40.990 40.915 0.075 1
1 1314 . 17 1 1 A 102 102 TYR N N 102 126.390 126.152 0.238 1
1 1315 . 17 1 1 A 103 103 ASP H H 103 8.071 9.036 -0.965 1
1 1316 . 17 1 1 A 103 103 ASP HA H 103 4.621 4.336 0.285 1
1 1319 . 17 1 1 A 103 103 ASP C C 103 176.220 175.670 0.550 1
1 1320 . 17 1 1 A 103 103 ASP CA C 103 55.050 55.365 -0.315 1
1 1321 . 17 1 1 A 103 103 ASP CB C 103 40.220 38.788 1.432 1
1 1322 . 17 1 1 A 103 103 ASP N N 103 120.738 120.880 -0.142 1
1 1323 . 17 1 1 A 104 104 ASP H H 104 8.642 7.694 0.948 1
1 1324 . 17 1 1 A 104 104 ASP HA H 104 4.730 4.358 0.372 1
1 1327 . 17 1 1 A 104 104 ASP C C 104 176.095 175.971 0.124 1
1 1328 . 17 1 1 A 104 104 ASP CA C 104 53.510 57.050 -3.540 1
1 1329 . 17 1 1 A 104 104 ASP CB C 104 41.060 40.913 0.147 1
1 1330 . 17 1 1 A 104 104 ASP N N 104 121.582 118.536 3.046 1
1 1331 . 17 1 1 A 105 105 THR H H 105 8.119 7.881 0.238 1
1 1332 . 17 1 1 A 105 105 THR HA H 105 4.389 4.267 0.122 1
1 1337 . 17 1 1 A 105 105 THR C C 105 173.508 174.503 -0.995 1
1 1338 . 17 1 1 A 105 105 THR CA C 105 61.580 64.506 -2.926 1
1 1339 . 17 1 1 A 105 105 THR CB C 105 69.840 68.321 1.519 1
1 1341 . 17 1 1 A 105 105 THR N N 105 113.632 111.867 1.765 1
1 1342 . 17 1 1 A 106 106 CYS H H 106 8.013 8.074 -0.061 1
1 1343 . 17 1 1 A 106 106 CYS N N 106 129.098 121.762 7.336 1
1 1344 . 17 1 1 A 107 107 ASP HA H 107 4.606 4.897 -0.291 1
1 1347 . 17 1 1 A 107 107 ASP C C 107 176.075 175.820 0.255 1
1 1348 . 17 1 1 A 107 107 ASP CA C 107 54.790 54.645 0.145 1
1 1349 . 17 1 1 A 107 107 ASP CB C 107 40.990 40.562 0.428 1
1 1350 . 17 1 1 A 108 108 LYS H H 108 8.216 8.949 -0.733 1
1 1351 . 17 1 1 A 108 108 LYS HA H 108 4.326 3.977 0.349 1
1 1360 . 17 1 1 A 108 108 LYS C C 108 176.490 175.287 1.203 1
1 1361 . 17 1 1 A 108 108 LYS CA C 108 56.140 57.274 -1.134 1
1 1362 . 17 1 1 A 108 108 LYS CB C 108 32.910 31.369 1.541 1
1 1366 . 17 1 1 A 108 108 LYS N N 108 121.982 124.514 -2.532 1
1 1367 . 17 1 1 A 109 109 LYS H H 109 8.411 8.417 -0.006 1
1 1368 . 17 1 1 A 109 109 LYS HA H 109 4.344 4.114 0.230 1
1 1377 . 17 1 1 A 109 109 LYS C C 109 175.583 175.927 -0.344 1
1 1378 . 17 1 1 A 109 109 LYS CA C 109 56.150 58.303 -2.153 1
1 1379 . 17 1 1 A 109 109 LYS CB C 109 33.050 31.070 1.980 1
1 1383 . 17 1 1 A 109 109 LYS N N 109 122.966 113.178 9.788 1
1 14 . 18 1 1 A 2 2 LEU H H 2 8.858 8.292 0.566 1
1 15 . 18 1 1 A 2 2 LEU HA H 2 4.010 4.015 -0.005 1
1 25 . 18 1 1 A 2 2 LEU C C 2 179.512 178.318 1.194 1
1 26 . 18 1 1 A 2 2 LEU CA C 2 57.230 56.012 1.218 1
1 27 . 18 1 1 A 2 2 LEU CB C 2 41.500 41.452 0.048 1
1 31 . 18 1 1 A 2 2 LEU N N 2 124.589 122.333 2.256 1
1 32 . 18 1 1 A 3 3 GLU H H 3 9.299 8.911 0.388 1
1 33 . 18 1 1 A 3 3 GLU HA H 3 4.234 4.478 -0.244 1
1 38 . 18 1 1 A 3 3 GLU C C 3 178.189 177.863 0.326 1
1 39 . 18 1 1 A 3 3 GLU CA C 3 59.930 58.724 1.206 1
1 40 . 18 1 1 A 3 3 GLU CB C 3 28.810 28.485 0.325 1
1 42 . 18 1 1 A 3 3 GLU N N 3 118.833 122.060 -3.227 1
1 43 . 18 1 1 A 4 4 ASP H H 4 8.188 8.355 -0.167 1
1 44 . 18 1 1 A 4 4 ASP HA H 4 4.524 4.436 0.088 1
1 47 . 18 1 1 A 4 4 ASP C C 4 176.722 177.584 -0.862 1
1 48 . 18 1 1 A 4 4 ASP CA C 4 56.240 57.062 -0.822 1
1 49 . 18 1 1 A 4 4 ASP CB C 4 39.910 40.805 -0.895 1
1 50 . 18 1 1 A 4 4 ASP N N 4 118.286 120.139 -1.853 1
1 51 . 18 1 1 A 5 5 TYR H H 5 8.336 7.934 0.402 1
1 52 . 18 1 1 A 5 5 TYR HA H 5 4.284 4.502 -0.218 1
1 59 . 18 1 1 A 5 5 TYR C C 5 172.456 175.596 -3.140 1
1 60 . 18 1 1 A 5 5 TYR CA C 5 58.770 58.724 0.046 1
1 61 . 18 1 1 A 5 5 TYR CB C 5 37.820 37.795 0.025 1
1 64 . 18 1 1 A 5 5 TYR N N 5 119.641 116.352 3.289 1
1 65 . 18 1 1 A 6 6 ALA H H 6 6.748 6.977 -0.229 1
1 66 . 18 1 1 A 6 6 ALA HA H 6 3.470 3.278 0.192 1
1 70 . 18 1 1 A 6 6 ALA C C 6 178.122 176.381 1.741 1
1 71 . 18 1 1 A 6 6 ALA CA C 6 51.440 51.535 -0.095 1
1 72 . 18 1 1 A 6 6 ALA CB C 6 19.600 18.805 0.795 1
1 73 . 18 1 1 A 6 6 ALA N N 6 122.727 122.695 0.032 1
1 74 . 18 1 1 A 7 7 ILE H H 7 8.665 8.385 0.280 1
1 75 . 18 1 1 A 7 7 ILE HA H 7 4.303 4.676 -0.373 1
1 85 . 18 1 1 A 7 7 ILE C C 7 174.386 175.221 -0.835 1
1 86 . 18 1 1 A 7 7 ILE CA C 7 58.640 59.930 -1.290 1
1 87 . 18 1 1 A 7 7 ILE CB C 7 39.820 39.563 0.257 1
1 91 . 18 1 1 A 7 7 ILE N N 7 124.318 124.102 0.216 1
1 92 . 18 1 1 A 8 8 SER H H 8 8.884 8.852 0.032 1
1 93 . 18 1 1 A 8 8 SER HA H 8 4.881 4.675 0.206 1
1 96 . 18 1 1 A 8 8 SER C C 8 176.268 175.566 0.702 1
1 97 . 18 1 1 A 8 8 SER CA C 8 57.157 57.864 -0.707 1
1 98 . 18 1 1 A 8 8 SER CB C 8 64.390 65.000 -0.610 1
1 99 . 18 1 1 A 8 8 SER N N 8 122.739 122.526 0.213 1
1 100 . 18 1 1 A 9 9 LEU H H 9 8.077 8.707 -0.630 1
1 101 . 18 1 1 A 9 9 LEU HA H 9 3.652 3.885 -0.233 1
1 111 . 18 1 1 A 9 9 LEU C C 9 175.322 178.421 -3.099 1
1 112 . 18 1 1 A 9 9 LEU CA C 9 57.190 58.316 -1.126 1
1 113 . 18 1 1 A 9 9 LEU CB C 9 42.290 41.192 1.098 1
1 117 . 18 1 1 A 9 9 LEU N N 9 126.321 128.185 -1.864 1
1 118 . 18 1 1 A 10 10 GLU H H 10 8.361 9.427 -1.066 1
1 119 . 18 1 1 A 10 10 GLU HA H 10 3.754 4.492 -0.738 1
1 124 . 18 1 1 A 10 10 GLU C C 10 176.452 176.977 -0.525 1
1 125 . 18 1 1 A 10 10 GLU CA C 10 58.470 58.463 0.007 1
1 126 . 18 1 1 A 10 10 GLU CB C 10 29.480 28.205 1.275 1
1 128 . 18 1 1 A 10 10 GLU N N 10 112.911 117.443 -4.532 1
1 129 . 18 1 1 A 11 11 GLU H H 11 7.284 8.071 -0.787 1
1 130 . 18 1 1 A 11 11 GLU HA H 11 4.531 4.568 -0.037 1
1 135 . 18 1 1 A 11 11 GLU C C 11 176.539 176.315 0.224 1
1 136 . 18 1 1 A 11 11 GLU CA C 11 55.240 55.945 -0.705 1
1 137 . 18 1 1 A 11 11 GLU CB C 11 32.160 31.176 0.984 1
1 139 . 18 1 1 A 11 11 GLU N N 11 114.276 115.697 -1.421 1
1 140 . 18 1 1 A 12 12 VAL H H 12 7.077 7.336 -0.259 1
1 141 . 18 1 1 A 12 12 VAL HA H 12 3.677 3.951 -0.274 1
1 149 . 18 1 1 A 12 12 VAL C C 12 173.900 174.706 -0.806 1
1 150 . 18 1 1 A 12 12 VAL CA C 12 62.510 61.995 0.515 1
1 151 . 18 1 1 A 12 12 VAL CB C 12 31.920 32.328 -0.408 1
1 154 . 18 1 1 A 12 12 VAL N N 12 121.932 120.974 0.958 1
1 155 . 18 1 1 A 13 13 ASN H H 13 7.996 8.596 -0.600 1
1 156 . 18 1 1 A 13 13 ASN HA H 13 4.840 5.255 -0.415 1
1 161 . 18 1 1 A 13 13 ASN C C 13 176.876 175.240 1.636 1
1 162 . 18 1 1 A 13 13 ASN CA C 13 52.168 51.826 0.342 1
1 163 . 18 1 1 A 13 13 ASN CB C 13 38.500 39.681 -1.181 1
1 164 . 18 1 1 A 13 13 ASN N N 13 121.232 125.661 -4.429 1
1 166 . 18 1 1 A 14 14 PHE H H 14 6.268 7.907 -1.639 1
1 167 . 18 1 1 A 14 14 PHE HA H 14 3.868 4.232 -0.364 1
1 175 . 18 1 1 A 14 14 PHE C C 14 176.423 177.982 -1.559 1
1 176 . 18 1 1 A 14 14 PHE CA C 14 62.520 60.749 1.771 1
1 177 . 18 1 1 A 14 14 PHE CB C 14 38.780 38.515 0.265 1
1 181 . 18 1 1 A 14 14 PHE N N 14 120.637 121.674 -1.037 1
1 182 . 18 1 1 A 15 15 ASN H H 15 8.184 8.752 -0.568 1
1 183 . 18 1 1 A 15 15 ASN HA H 15 4.602 4.465 0.137 1
1 188 . 18 1 1 A 15 15 ASN C C 15 175.738 177.848 -2.110 1
1 189 . 18 1 1 A 15 15 ASN CA C 15 55.240 55.871 -0.631 1
1 190 . 18 1 1 A 15 15 ASN CB C 15 38.270 37.419 0.851 1
1 191 . 18 1 1 A 15 15 ASN N N 15 113.599 116.590 -2.991 1
1 193 . 18 1 1 A 16 16 ASP H H 16 7.680 7.448 0.232 1
1 194 . 18 1 1 A 16 16 ASP HA H 16 4.450 4.182 0.268 1
1 197 . 18 1 1 A 16 16 ASP C C 16 174.589 175.320 -0.731 1
1 198 . 18 1 1 A 16 16 ASP CA C 16 54.860 56.032 -1.172 1
1 199 . 18 1 1 A 16 16 ASP CB C 16 41.140 40.804 0.336 1
1 200 . 18 1 1 A 16 16 ASP N N 16 117.808 119.340 -1.532 1
1 201 . 18 1 1 A 17 17 PHE H H 17 7.648 7.346 0.302 1
1 202 . 18 1 1 A 17 17 PHE HA H 17 4.788 5.025 -0.237 1
1 210 . 18 1 1 A 17 17 PHE C C 17 175.516 175.734 -0.218 1
1 211 . 18 1 1 A 17 17 PHE CA C 17 56.790 56.564 0.226 1
1 212 . 18 1 1 A 17 17 PHE CB C 17 44.090 41.528 2.562 1
1 216 . 18 1 1 A 17 17 PHE N N 17 116.207 115.754 0.453 1
1 217 . 18 1 1 A 18 18 ILE H H 18 8.674 9.038 -0.364 1
1 218 . 18 1 1 A 18 18 ILE HA H 18 4.335 4.413 -0.078 1
1 228 . 18 1 1 A 18 18 ILE C C 18 175.612 175.989 -0.377 1
1 229 . 18 1 1 A 18 18 ILE CA C 18 60.930 61.484 -0.554 1
1 230 . 18 1 1 A 18 18 ILE CB C 18 37.620 37.160 0.460 1
1 234 . 18 1 1 A 18 18 ILE N N 18 121.498 123.426 -1.928 1
1 235 . 18 1 1 A 19 19 VAL H H 19 9.009 8.282 0.727 1
1 236 . 18 1 1 A 19 19 VAL HA H 19 4.760 4.829 -0.069 1
1 244 . 18 1 1 A 19 19 VAL C C 19 175.622 175.460 0.162 1
1 245 . 18 1 1 A 19 19 VAL CA C 19 62.974 61.718 1.256 1
1 246 . 18 1 1 A 19 19 VAL CB C 19 32.770 32.733 0.037 1
1 249 . 18 1 1 A 19 19 VAL N N 19 129.378 128.477 0.901 1
1 250 . 18 1 1 A 20 20 VAL H H 20 9.606 9.214 0.392 1
1 251 . 18 1 1 A 20 20 VAL HA H 20 4.581 4.561 0.020 1
1 259 . 18 1 1 A 20 20 VAL C C 20 172.234 174.440 -2.206 1
1 260 . 18 1 1 A 20 20 VAL CA C 20 60.660 60.626 0.034 1
1 261 . 18 1 1 A 20 20 VAL CB C 20 33.910 35.076 -1.166 1
1 264 . 18 1 1 A 20 20 VAL N N 20 131.965 127.433 4.532 1
1 265 . 18 1 1 A 21 21 ASP H H 21 8.367 8.807 -0.440 1
1 266 . 18 1 1 A 21 21 ASP HA H 21 4.105 4.376 -0.271 1
1 269 . 18 1 1 A 21 21 ASP C C 21 176.182 175.281 0.901 1
1 270 . 18 1 1 A 21 21 ASP CA C 21 50.850 53.039 -2.189 1
1 271 . 18 1 1 A 21 21 ASP CB C 21 43.460 41.117 2.343 1
1 272 . 18 1 1 A 21 21 ASP N N 21 129.516 127.562 1.954 1
1 273 . 18 1 1 A 22 22 VAL H H 22 8.095 7.973 0.122 1
1 274 . 18 1 1 A 22 22 VAL HA H 22 5.720 4.948 0.772 1
1 282 . 18 1 1 A 22 22 VAL C C 22 178.006 175.076 2.930 1
1 283 . 18 1 1 A 22 22 VAL CA C 22 58.990 61.170 -2.180 1
1 284 . 18 1 1 A 22 22 VAL CB C 22 30.150 31.397 -1.247 1
1 287 . 18 1 1 A 22 22 VAL N N 22 114.833 120.260 -5.427 1
1 288 . 18 1 1 A 23 23 ARG H H 23 7.467 8.188 -0.721 1
1 289 . 18 1 1 A 23 23 ARG HA H 23 4.358 4.536 -0.178 1
1 299 . 18 1 1 A 23 23 ARG C C 23 172.157 175.959 -3.802 1
1 300 . 18 1 1 A 23 23 ARG CA C 23 56.190 56.651 -0.461 1
1 301 . 18 1 1 A 23 23 ARG CB C 23 31.230 32.716 -1.486 1
1 304 . 18 1 1 A 23 23 ARG N N 23 120.418 125.284 -4.866 1
1 307 . 18 1 1 A 24 24 GLU H H 24 7.372 7.395 -0.023 1
1 308 . 18 1 1 A 24 24 GLU HA H 24 4.454 4.533 -0.079 1
1 313 . 18 1 1 A 24 24 GLU C C 24 178.807 176.140 2.667 1
1 314 . 18 1 1 A 24 24 GLU CA C 24 53.870 55.764 -1.894 1
1 315 . 18 1 1 A 24 24 GLU CB C 24 31.610 33.378 -1.768 1
1 317 . 18 1 1 A 24 24 GLU N N 24 111.001 115.615 -4.614 1
1 318 . 18 1 1 A 25 25 LEU H H 25 8.842 8.591 0.251 1
1 319 . 18 1 1 A 25 25 LEU HA H 25 3.922 3.962 -0.040 1
1 329 . 18 1 1 A 25 25 LEU C C 25 177.591 177.658 -0.067 1
1 330 . 18 1 1 A 25 25 LEU CA C 25 58.800 58.442 0.358 1
1 331 . 18 1 1 A 25 25 LEU CB C 25 42.000 41.368 0.632 1
1 335 . 18 1 1 A 25 25 LEU N N 25 122.468 126.223 -3.755 1
1 336 . 18 1 1 A 26 26 ASP H H 26 8.671 8.170 0.501 1
1 337 . 18 1 1 A 26 26 ASP HA H 26 4.389 4.284 0.105 1
1 340 . 18 1 1 A 26 26 ASP C C 26 178.739 177.963 0.776 1
1 341 . 18 1 1 A 26 26 ASP CA C 26 56.540 57.952 -1.412 1
1 342 . 18 1 1 A 26 26 ASP CB C 26 39.570 42.418 -2.848 1
1 343 . 18 1 1 A 26 26 ASP N N 26 114.189 118.863 -4.674 1
1 344 . 18 1 1 A 27 27 GLU H H 27 7.235 8.323 -1.088 1
1 345 . 18 1 1 A 27 27 GLU HA H 27 4.304 4.034 0.270 1
1 350 . 18 1 1 A 27 27 GLU C C 27 177.678 178.556 -0.878 1
1 351 . 18 1 1 A 27 27 GLU CA C 27 58.830 59.291 -0.461 1
1 352 . 18 1 1 A 27 27 GLU CB C 27 30.650 29.019 1.631 1
1 354 . 18 1 1 A 27 27 GLU N N 27 120.618 117.608 3.010 1
1 355 . 18 1 1 A 28 28 TYR H H 28 7.703 7.772 -0.069 1
1 356 . 18 1 1 A 28 28 TYR HA H 28 4.149 3.819 0.330 1
1 363 . 18 1 1 A 28 28 TYR C C 28 177.108 177.725 -0.617 1
1 364 . 18 1 1 A 28 28 TYR CA C 28 60.600 61.361 -0.761 1
1 365 . 18 1 1 A 28 28 TYR CB C 28 39.300 38.822 0.478 1
1 370 . 18 1 1 A 28 28 TYR N N 28 121.871 121.892 -0.021 1
1 371 . 18 1 1 A 29 29 GLU H H 29 8.727 7.960 0.767 1
1 372 . 18 1 1 A 29 29 GLU HA H 29 3.823 3.832 -0.009 1
1 377 . 18 1 1 A 29 29 GLU C C 29 177.456 178.654 -1.198 1
1 378 . 18 1 1 A 29 29 GLU CA C 29 58.770 59.669 -0.899 1
1 379 . 18 1 1 A 29 29 GLU CB C 29 29.880 29.321 0.559 1
1 381 . 18 1 1 A 29 29 GLU N N 29 116.326 117.990 -1.664 1
1 382 . 18 1 1 A 30 30 GLU H H 30 7.225 7.970 -0.745 1
1 383 . 18 1 1 A 30 30 GLU HA H 30 4.219 4.210 0.009 1
1 388 . 18 1 1 A 30 30 GLU C C 30 177.012 176.451 0.561 1
1 389 . 18 1 1 A 30 30 GLU CA C 30 59.750 58.409 1.341 1
1 390 . 18 1 1 A 30 30 GLU CB C 30 29.310 29.490 -0.180 1
1 392 . 18 1 1 A 30 30 GLU N N 30 119.394 117.087 2.307 1
1 393 . 18 1 1 A 31 31 LEU H H 31 7.512 7.643 -0.131 1
1 394 . 18 1 1 A 31 31 LEU HA H 31 5.102 4.623 0.479 1
1 404 . 18 1 1 A 31 31 LEU C C 31 173.363 174.512 -1.149 1
1 405 . 18 1 1 A 31 31 LEU CA C 31 55.760 53.474 2.286 1
1 406 . 18 1 1 A 31 31 LEU CB C 31 42.880 43.978 -1.098 1
1 410 . 18 1 1 A 31 31 LEU N N 31 118.039 116.561 1.478 1
1 411 . 18 1 1 A 32 32 HIS H H 32 8.196 8.331 -0.135 1
1 412 . 18 1 1 A 32 32 HIS HA H 32 4.433 5.031 -0.598 1
1 417 . 18 1 1 A 32 32 HIS C C 32 171.973 172.209 -0.236 1
1 418 . 18 1 1 A 32 32 HIS CA C 32 54.660 54.260 0.400 1
1 419 . 18 1 1 A 32 32 HIS CB C 32 31.500 31.409 0.091 1
1 422 . 18 1 1 A 32 32 HIS N N 32 114.425 115.469 -1.044 1
1 423 . 18 1 1 A 33 33 LEU H H 33 10.099 8.791 1.308 1
1 424 . 18 1 1 A 33 33 LEU HA H 33 4.745 4.243 0.502 1
1 434 . 18 1 1 A 33 33 LEU CA C 33 53.423 53.161 0.262 1
1 435 . 18 1 1 A 33 33 LEU CB C 33 42.750 41.577 1.173 1
1 439 . 18 1 1 A 33 33 LEU N N 33 124.819 120.657 4.162 1
1 440 . 18 1 1 A 34 34 PRO HA H 34 4.328 4.190 0.138 1
1 447 . 18 1 1 A 34 34 PRO C C 34 177.012 177.361 -0.349 1
1 448 . 18 1 1 A 34 34 PRO CA C 34 64.440 65.322 -0.882 1
1 449 . 18 1 1 A 34 34 PRO CB C 34 31.660 31.580 0.080 1
1 452 . 18 1 1 A 35 35 ASN H H 35 8.736 8.501 0.235 1
1 453 . 18 1 1 A 35 35 ASN HA H 35 4.701 4.809 -0.108 1
1 458 . 18 1 1 A 35 35 ASN C C 35 174.801 174.548 0.253 1
1 459 . 18 1 1 A 35 35 ASN CA C 35 53.470 52.711 0.759 1
1 460 . 18 1 1 A 35 35 ASN CB C 35 37.650 37.611 0.039 1
1 461 . 18 1 1 A 35 35 ASN N N 35 113.231 113.575 -0.344 1
1 463 . 18 1 1 A 36 36 ALA H H 36 7.434 7.294 0.140 1
1 464 . 18 1 1 A 36 36 ALA HA H 36 4.523 4.651 -0.128 1
1 468 . 18 1 1 A 36 36 ALA C C 36 177.494 176.708 0.786 1
1 469 . 18 1 1 A 36 36 ALA CA C 36 52.700 50.367 2.333 1
1 470 . 18 1 1 A 36 36 ALA CB C 36 21.760 20.669 1.091 1
1 471 . 18 1 1 A 36 36 ALA N N 36 122.419 122.746 -0.327 1
1 472 . 18 1 1 A 37 37 THR H H 37 8.334 8.648 -0.314 1
1 473 . 18 1 1 A 37 37 THR HA H 37 4.184 4.311 -0.127 1
1 479 . 18 1 1 A 37 37 THR C C 37 172.359 173.849 -1.490 1
1 480 . 18 1 1 A 37 37 THR CA C 37 63.020 63.071 -0.051 1
1 481 . 18 1 1 A 37 37 THR CB C 37 69.800 68.783 1.017 1
1 483 . 18 1 1 A 37 37 THR N N 37 121.183 118.936 2.247 1
1 484 . 18 1 1 A 38 38 LEU H H 38 8.306 8.511 -0.205 1
1 485 . 18 1 1 A 38 38 LEU HA H 38 4.815 4.525 0.290 1
1 495 . 18 1 1 A 38 38 LEU C C 38 176.529 174.977 1.552 1
1 496 . 18 1 1 A 38 38 LEU CA C 38 53.873 54.642 -0.769 1
1 497 . 18 1 1 A 38 38 LEU CB C 38 41.830 42.365 -0.535 1
1 501 . 18 1 1 A 38 38 LEU N N 38 130.981 130.009 0.972 1
1 502 . 18 1 1 A 39 39 ILE H H 39 8.612 8.120 0.492 1
1 503 . 18 1 1 A 39 39 ILE HA H 39 3.779 4.611 -0.832 1
1 513 . 18 1 1 A 39 39 ILE C C 39 172.186 174.544 -2.358 1
1 514 . 18 1 1 A 39 39 ILE CA C 39 62.040 59.822 2.218 1
1 515 . 18 1 1 A 39 39 ILE CB C 39 40.360 42.267 -1.907 1
1 519 . 18 1 1 A 39 39 ILE N N 39 131.100 129.049 2.051 1
1 520 . 18 1 1 A 40 40 SER H H 40 8.123 8.333 -0.210 1
1 521 . 18 1 1 A 40 40 SER HA H 40 3.904 4.584 -0.680 1
1 524 . 18 1 1 A 40 40 SER C C 40 177.629 175.319 2.310 1
1 525 . 18 1 1 A 40 40 SER CA C 40 58.810 57.868 0.942 1
1 526 . 18 1 1 A 40 40 SER CB C 40 63.090 64.237 -1.147 1
1 527 . 18 1 1 A 40 40 SER N N 40 118.068 121.115 -3.047 1
1 528 . 18 1 1 A 41 41 VAL H H 41 7.739 8.506 -0.767 1
1 529 . 18 1 1 A 41 41 VAL HA H 41 3.913 3.833 0.080 1
1 537 . 18 1 1 A 41 41 VAL C C 41 174.714 177.213 -2.499 1
1 538 . 18 1 1 A 41 41 VAL CA C 41 58.990 64.988 -5.998 1
1 539 . 18 1 1 A 41 41 VAL CB C 41 31.730 31.895 -0.165 1
1 542 . 18 1 1 A 41 41 VAL N N 41 124.290 127.307 -3.017 1
1 543 . 18 1 1 A 42 42 ASN H H 42 8.344 8.635 -0.291 1
1 544 . 18 1 1 A 42 42 ASN HA H 42 4.630 4.573 0.057 1
1 549 . 18 1 1 A 42 42 ASN C C 42 175.699 175.642 0.057 1
1 550 . 18 1 1 A 42 42 ASN CA C 42 54.860 54.262 0.598 1
1 551 . 18 1 1 A 42 42 ASN CB C 42 38.610 37.310 1.300 1
1 552 . 18 1 1 A 42 42 ASN N N 42 116.715 116.202 0.513 1
1 554 . 18 1 1 A 43 43 ASP H H 43 8.417 7.423 0.994 1
1 555 . 18 1 1 A 43 43 ASP HA H 43 5.021 4.895 0.126 1
1 558 . 18 1 1 A 43 43 ASP C C 43 175.699 176.001 -0.302 1
1 559 . 18 1 1 A 43 43 ASP CA C 43 52.300 52.672 -0.372 1
1 560 . 18 1 1 A 43 43 ASP CB C 43 39.540 38.498 1.042 1
1 561 . 18 1 1 A 43 43 ASP N N 43 125.038 120.156 4.882 1
1 562 . 18 1 1 A 44 44 GLN H H 44 7.762 8.157 -0.395 1
1 563 . 18 1 1 A 44 44 GLN HA H 44 3.815 3.993 -0.178 1
1 570 . 18 1 1 A 44 44 GLN C C 44 178.430 178.371 0.059 1
1 571 . 18 1 1 A 44 44 GLN CA C 44 59.650 59.031 0.619 1
1 572 . 18 1 1 A 44 44 GLN CB C 44 28.760 28.424 0.336 1
1 574 . 18 1 1 A 44 44 GLN N N 44 119.490 122.325 -2.835 1
1 576 . 18 1 1 A 45 45 GLU H H 45 8.705 8.377 0.328 1
1 577 . 18 1 1 A 45 45 GLU HA H 45 4.059 4.045 0.014 1
1 582 . 18 1 1 A 45 45 GLU C C 45 178.739 178.859 -0.120 1
1 583 . 18 1 1 A 45 45 GLU CA C 45 59.660 59.360 0.300 1
1 584 . 18 1 1 A 45 45 GLU CB C 45 28.900 29.169 -0.269 1
1 586 . 18 1 1 A 45 45 GLU N N 45 119.373 118.730 0.643 1
1 587 . 18 1 1 A 46 46 LYS H H 46 7.545 7.770 -0.225 1
1 588 . 18 1 1 A 46 46 LYS HA H 46 4.119 4.168 -0.049 1
1 597 . 18 1 1 A 46 46 LYS C C 46 179.579 178.781 0.798 1
1 598 . 18 1 1 A 46 46 LYS CA C 46 58.940 59.244 -0.304 1
1 599 . 18 1 1 A 46 46 LYS CB C 46 32.750 32.130 0.620 1
1 603 . 18 1 1 A 46 46 LYS N N 46 120.645 119.884 0.761 1
1 604 . 18 1 1 A 47 47 LEU H H 47 8.005 7.876 0.129 1
1 605 . 18 1 1 A 47 47 LEU HA H 47 4.059 4.050 0.009 1
1 615 . 18 1 1 A 47 47 LEU C C 47 177.436 178.105 -0.669 1
1 616 . 18 1 1 A 47 47 LEU CA C 47 58.090 58.089 0.001 1
1 617 . 18 1 1 A 47 47 LEU CB C 47 41.150 41.675 -0.525 1
1 621 . 18 1 1 A 47 47 LEU N N 47 122.201 121.308 0.893 1
1 622 . 18 1 1 A 48 48 ALA H H 48 8.239 8.514 -0.275 1
1 623 . 18 1 1 A 48 48 ALA HA H 48 3.733 3.445 0.288 1
1 627 . 18 1 1 A 48 48 ALA C C 48 179.347 179.146 0.201 1
1 628 . 18 1 1 A 48 48 ALA CA C 48 55.420 54.715 0.705 1
1 629 . 18 1 1 A 48 48 ALA CB C 48 18.240 17.958 0.282 1
1 630 . 18 1 1 A 48 48 ALA N N 48 121.483 120.847 0.636 1
1 631 . 18 1 1 A 49 49 ASP H H 49 8.001 7.722 0.279 1
1 632 . 18 1 1 A 49 49 ASP HA H 49 4.308 4.341 -0.033 1
1 635 . 18 1 1 A 49 49 ASP C C 49 179.106 178.257 0.849 1
1 636 . 18 1 1 A 49 49 ASP CA C 49 57.350 57.274 0.076 1
1 637 . 18 1 1 A 49 49 ASP CB C 49 41.250 41.709 -0.459 1
1 638 . 18 1 1 A 49 49 ASP N N 49 117.231 118.901 -1.670 1
1 639 . 18 1 1 A 50 50 PHE H H 50 8.265 8.165 0.100 1
1 640 . 18 1 1 A 50 50 PHE HA H 50 4.101 4.113 -0.012 1
1 647 . 18 1 1 A 50 50 PHE C C 50 179.048 176.856 2.192 1
1 648 . 18 1 1 A 50 50 PHE CA C 50 62.590 60.491 2.099 1
1 649 . 18 1 1 A 50 50 PHE CB C 50 39.810 39.209 0.601 1
1 651 . 18 1 1 A 50 50 PHE N N 50 122.379 120.216 2.163 1
1 652 . 18 1 1 A 51 51 LEU H H 51 8.653 8.040 0.613 1
1 653 . 18 1 1 A 51 51 LEU HA H 51 3.789 3.899 -0.110 1
1 663 . 18 1 1 A 51 51 LEU C C 51 180.400 179.113 1.287 1
1 664 . 18 1 1 A 51 51 LEU CA C 51 58.140 57.377 0.763 1
1 665 . 18 1 1 A 51 51 LEU CB C 51 38.770 41.193 -2.423 1
1 669 . 18 1 1 A 51 51 LEU N N 51 120.277 119.803 0.474 1
1 670 . 18 1 1 A 52 52 SER H H 52 8.332 7.893 0.439 1
1 671 . 18 1 1 A 52 52 SER HA H 52 4.160 4.374 -0.214 1
1 674 . 18 1 1 A 52 52 SER C C 52 176.220 176.897 -0.677 1
1 675 . 18 1 1 A 52 52 SER CA C 52 61.840 61.036 0.804 1
1 676 . 18 1 1 A 52 52 SER CB C 52 62.850 63.011 -0.161 1
1 677 . 18 1 1 A 52 52 SER N N 52 115.630 114.609 1.021 1
1 678 . 18 1 1 A 53 53 GLN H H 53 7.405 7.856 -0.451 1
1 679 . 18 1 1 A 53 53 GLN HA H 53 4.092 4.084 0.008 1
1 686 . 18 1 1 A 53 53 GLN C C 53 176.046 175.982 0.064 1
1 687 . 18 1 1 A 53 53 GLN CA C 53 56.560 58.646 -2.086 1
1 688 . 18 1 1 A 53 53 GLN CB C 53 28.580 29.006 -0.426 1
1 690 . 18 1 1 A 53 53 GLN N N 53 119.056 118.529 0.527 1
1 692 . 18 1 1 A 54 54 HIS H H 54 7.311 7.944 -0.633 1
1 693 . 18 1 1 A 54 54 HIS HA H 54 4.754 4.901 -0.147 1
1 696 . 18 1 1 A 54 54 HIS C C 54 175.467 174.820 0.647 1
1 697 . 18 1 1 A 54 54 HIS CA C 54 55.562 54.478 1.084 1
1 698 . 18 1 1 A 54 54 HIS CB C 54 29.650 30.799 -1.149 1
1 699 . 18 1 1 A 54 54 HIS N N 54 117.800 116.296 1.504 1
1 700 . 18 1 1 A 55 55 LYS H H 55 7.646 8.523 -0.877 1
1 701 . 18 1 1 A 55 55 LYS HA H 55 4.296 4.327 -0.031 1
1 710 . 18 1 1 A 55 55 LYS C C 55 176.741 177.359 -0.618 1
1 711 . 18 1 1 A 55 55 LYS CA C 55 58.710 58.235 0.475 1
1 712 . 18 1 1 A 55 55 LYS CB C 55 32.370 32.816 -0.446 1
1 716 . 18 1 1 A 55 55 LYS N N 55 119.903 124.590 -4.687 1
1 717 . 18 1 1 A 56 56 ASP H H 56 8.853 7.593 1.260 1
1 718 . 18 1 1 A 56 56 ASP HA H 56 4.655 4.807 -0.152 1
1 721 . 18 1 1 A 56 56 ASP C C 56 175.158 174.504 0.654 1
1 722 . 18 1 1 A 56 56 ASP CA C 56 53.930 53.238 0.692 1
1 723 . 18 1 1 A 56 56 ASP CB C 56 40.220 40.085 0.135 1
1 724 . 18 1 1 A 56 56 ASP N N 56 116.429 118.957 -2.528 1
1 725 . 18 1 1 A 57 57 LYS H H 57 7.655 8.157 -0.502 1
1 726 . 18 1 1 A 57 57 LYS HA H 57 4.701 4.946 -0.245 1
1 735 . 18 1 1 A 57 57 LYS C C 57 175.236 174.235 1.001 1
1 736 . 18 1 1 A 57 57 LYS CA C 57 53.830 54.454 -0.624 1
1 737 . 18 1 1 A 57 57 LYS CB C 57 35.550 35.535 0.015 1
1 741 . 18 1 1 A 57 57 LYS N N 57 119.510 120.455 -0.945 1
1 742 . 18 1 1 A 58 58 LYS H H 58 8.265 8.771 -0.506 1
1 743 . 18 1 1 A 58 58 LYS HA H 58 4.745 5.308 -0.563 1
1 752 . 18 1 1 A 58 58 LYS C C 58 175.651 175.141 0.510 1
1 753 . 18 1 1 A 58 58 LYS CA C 58 56.870 55.187 1.683 1
1 754 . 18 1 1 A 58 58 LYS CB C 58 33.250 35.109 -1.859 1
1 758 . 18 1 1 A 58 58 LYS N N 58 120.091 120.087 0.004 1
1 759 . 18 1 1 A 59 59 VAL H H 59 9.233 9.299 -0.066 1
1 760 . 18 1 1 A 59 59 VAL HA H 59 5.231 5.407 -0.176 1
1 768 . 18 1 1 A 59 59 VAL C C 59 173.556 174.155 -0.599 1
1 769 . 18 1 1 A 59 59 VAL CA C 59 60.930 61.353 -0.423 1
1 770 . 18 1 1 A 59 59 VAL CB C 59 34.300 33.978 0.322 1
1 772 . 18 1 1 A 59 59 VAL N N 59 127.047 127.444 -0.397 1
1 773 . 18 1 1 A 60 60 LEU H H 60 9.228 9.049 0.179 1
1 774 . 18 1 1 A 60 60 LEU HA H 60 4.815 5.233 -0.418 1
1 784 . 18 1 1 A 60 60 LEU C C 60 173.421 174.977 -1.556 1
1 785 . 18 1 1 A 60 60 LEU CA C 60 52.586 53.452 -0.866 1
1 786 . 18 1 1 A 60 60 LEU CB C 60 45.660 44.872 0.788 1
1 790 . 18 1 1 A 60 60 LEU N N 60 129.197 130.119 -0.922 1
1 791 . 18 1 1 A 61 61 LEU H H 61 9.055 9.134 -0.079 1
1 792 . 18 1 1 A 61 61 LEU HA H 61 5.713 4.983 0.730 1
1 802 . 18 1 1 A 61 61 LEU C C 61 176.683 176.752 -0.069 1
1 803 . 18 1 1 A 61 61 LEU CA C 61 52.760 54.104 -1.344 1
1 804 . 18 1 1 A 61 61 LEU CB C 61 43.220 41.133 2.087 1
1 808 . 18 1 1 A 61 61 LEU N N 61 125.903 129.290 -3.387 1
1 809 . 18 1 1 A 62 62 HIS H H 62 9.148 8.943 0.205 1
1 810 . 18 1 1 A 62 62 HIS HA H 62 5.440 5.505 -0.065 1
1 816 . 18 1 1 A 62 62 HIS C C 62 172.301 173.864 -1.563 1
1 817 . 18 1 1 A 62 62 HIS CA C 62 54.580 54.010 0.570 1
1 818 . 18 1 1 A 62 62 HIS CB C 62 33.980 31.867 2.113 1
1 821 . 18 1 1 A 62 62 HIS N N 62 119.183 121.919 -2.736 1
1 823 . 18 1 1 A 63 63 CYS H H 63 9.389 8.255 1.134 1
1 824 . 18 1 1 A 63 63 CYS HA H 63 5.021 4.780 0.241 1
1 827 . 18 1 1 A 63 63 CYS C C 63 177.649 175.136 2.513 1
1 828 . 18 1 1 A 63 63 CYS CA C 63 56.460 57.373 -0.913 1
1 829 . 18 1 1 A 63 63 CYS CB C 63 29.400 30.965 -1.565 1
1 830 . 18 1 1 A 63 63 CYS N N 63 120.896 118.052 2.844 1
1 831 . 18 1 1 A 64 64 ARG H H 64 8.658 8.778 -0.120 1
1 832 . 18 1 1 A 64 64 ARG HA H 64 4.425 3.911 0.514 1
1 839 . 18 1 1 A 64 64 ARG C C 64 174.724 177.585 -2.861 1
1 840 . 18 1 1 A 64 64 ARG CA C 64 59.000 59.674 -0.674 1
1 841 . 18 1 1 A 64 64 ARG CB C 64 30.820 30.335 0.485 1
1 844 . 18 1 1 A 64 64 ARG N N 64 130.651 126.505 4.146 1
1 845 . 18 1 1 A 65 65 ALA H H 65 8.166 7.906 0.260 1
1 846 . 18 1 1 A 65 65 ALA HA H 65 5.399 4.577 0.822 1
1 850 . 18 1 1 A 65 65 ALA C C 65 177.909 177.280 0.629 1
1 851 . 18 1 1 A 65 65 ALA CA C 65 52.020 52.796 -0.776 1
1 852 . 18 1 1 A 65 65 ALA CB C 65 20.270 21.416 -1.146 1
1 853 . 18 1 1 A 65 65 ALA N N 65 118.548 118.884 -0.336 1
1 854 . 18 1 1 A 66 66 GLY H H 66 9.300 7.913 1.387 1
1 855 . 18 1 1 A 66 66 GLY HA2 H 66 4.872 4.081 0.791 1
1 856 . 18 1 1 A 66 66 GLY HA3 H 66 4.450 4.086 0.364 1
1 857 . 18 1 1 A 66 66 GLY C C 66 176.761 174.920 1.841 1
1 858 . 18 1 1 A 66 66 GLY CA C 66 46.630 45.377 1.253 1
1 859 . 18 1 1 A 66 66 GLY N N 66 114.644 106.431 8.213 1
1 860 . 18 1 1 A 67 67 ARG H H 67 8.118 7.987 0.131 1
1 861 . 18 1 1 A 67 67 ARG HA H 67 4.141 4.024 0.117 1
1 871 . 18 1 1 A 67 67 ARG C C 67 178.691 178.780 -0.089 1
1 872 . 18 1 1 A 67 67 ARG CA C 67 60.930 58.655 2.275 1
1 873 . 18 1 1 A 67 67 ARG CB C 67 31.240 29.789 1.451 1
1 876 . 18 1 1 A 67 67 ARG N N 67 121.922 122.009 -0.087 1
1 879 . 18 1 1 A 68 68 ARG H H 68 9.366 7.914 1.452 1
1 880 . 18 1 1 A 68 68 ARG HA H 68 4.282 4.017 0.265 1
1 887 . 18 1 1 A 68 68 ARG C C 68 178.681 179.066 -0.385 1
1 888 . 18 1 1 A 68 68 ARG CA C 68 59.410 58.939 0.471 1
1 889 . 18 1 1 A 68 68 ARG CB C 68 30.760 29.703 1.057 1
1 892 . 18 1 1 A 68 68 ARG N N 68 123.821 118.996 4.825 1
1 893 . 18 1 1 A 69 69 ALA H H 69 10.112 8.130 1.982 1
1 894 . 18 1 1 A 69 69 ALA HA H 69 3.800 4.106 -0.306 1
1 898 . 18 1 1 A 69 69 ALA C C 69 178.334 179.802 -1.468 1
1 899 . 18 1 1 A 69 69 ALA CA C 69 55.960 55.227 0.733 1
1 900 . 18 1 1 A 69 69 ALA CB C 69 17.730 18.708 -0.978 1
1 901 . 18 1 1 A 69 69 ALA N N 69 125.465 122.087 3.378 1
1 902 . 18 1 1 A 70 70 LEU H H 70 7.746 7.924 -0.178 1
1 903 . 18 1 1 A 70 70 LEU HA H 70 3.340 3.190 0.150 1
1 913 . 18 1 1 A 70 70 LEU C C 70 177.996 177.887 0.109 1
1 914 . 18 1 1 A 70 70 LEU CA C 70 57.950 57.648 0.302 1
1 915 . 18 1 1 A 70 70 LEU CB C 70 40.720 41.492 -0.772 1
1 919 . 18 1 1 A 70 70 LEU N N 70 118.427 119.525 -1.098 1
1 920 . 18 1 1 A 71 71 ASP H H 71 7.662 8.345 -0.683 1
1 921 . 18 1 1 A 71 71 ASP HA H 71 4.236 4.155 0.081 1
1 924 . 18 1 1 A 71 71 ASP C C 71 179.560 178.109 1.451 1
1 925 . 18 1 1 A 71 71 ASP CA C 71 57.880 57.744 0.136 1
1 926 . 18 1 1 A 71 71 ASP CB C 71 40.340 41.707 -1.367 1
1 927 . 18 1 1 A 71 71 ASP N N 71 120.180 118.683 1.497 1
1 928 . 18 1 1 A 72 72 ALA H H 72 8.796 7.939 0.857 1
1 929 . 18 1 1 A 72 72 ALA HA H 72 4.101 4.087 0.014 1
1 933 . 18 1 1 A 72 72 ALA C C 72 179.203 179.603 -0.400 1
1 934 . 18 1 1 A 72 72 ALA CA C 72 54.670 54.844 -0.174 1
1 935 . 18 1 1 A 72 72 ALA CB C 72 18.490 18.009 0.481 1
1 936 . 18 1 1 A 72 72 ALA N N 72 122.299 121.165 1.134 1
1 937 . 18 1 1 A 73 73 ALA H H 73 8.672 7.616 1.056 1
1 938 . 18 1 1 A 73 73 ALA HA H 73 3.758 4.136 -0.378 1
1 942 . 18 1 1 A 73 73 ALA C C 73 179.251 179.632 -0.381 1
1 943 . 18 1 1 A 73 73 ALA CA C 73 55.950 55.076 0.874 1
1 944 . 18 1 1 A 73 73 ALA CB C 73 17.660 18.003 -0.343 1
1 945 . 18 1 1 A 73 73 ALA N N 73 121.294 120.354 0.940 1
1 946 . 18 1 1 A 74 74 LYS H H 74 8.914 8.061 0.853 1
1 947 . 18 1 1 A 74 74 LYS HA H 74 3.790 3.830 -0.040 1
1 956 . 18 1 1 A 74 74 LYS C C 74 179.589 179.531 0.058 1
1 957 . 18 1 1 A 74 74 LYS CA C 74 60.620 59.240 1.380 1
1 958 . 18 1 1 A 74 74 LYS CB C 74 32.330 32.276 0.054 1
1 962 . 18 1 1 A 74 74 LYS N N 74 119.404 118.072 1.332 1
1 963 . 18 1 1 A 75 75 SER H H 75 7.874 7.937 -0.063 1
1 964 . 18 1 1 A 75 75 SER HA H 75 4.272 4.135 0.137 1
1 967 . 18 1 1 A 75 75 SER C C 75 176.944 176.720 0.224 1
1 968 . 18 1 1 A 75 75 SER CA C 75 61.840 61.936 -0.096 1
1 969 . 18 1 1 A 75 75 SER CB C 75 62.990 62.730 0.260 1
1 970 . 18 1 1 A 75 75 SER N N 75 114.306 115.957 -1.651 1
1 971 . 18 1 1 A 76 76 MET H H 76 8.401 7.885 0.516 1
1 972 . 18 1 1 A 76 76 MET HA H 76 4.881 4.344 0.537 1
1 980 . 18 1 1 A 76 76 MET C C 76 179.811 178.720 1.091 1
1 981 . 18 1 1 A 76 76 MET CA C 76 56.060 58.608 -2.548 1
1 982 . 18 1 1 A 76 76 MET CB C 76 34.780 33.744 1.036 1
1 985 . 18 1 1 A 76 76 MET N N 76 119.510 119.942 -0.432 1
1 986 . 18 1 1 A 77 77 HIS H H 77 9.450 8.224 1.226 1
1 987 . 18 1 1 A 77 77 HIS HA H 77 5.148 4.824 0.324 1
1 992 . 18 1 1 A 77 77 HIS C C 77 181.596 177.970 3.626 1
1 993 . 18 1 1 A 77 77 HIS CA C 77 59.550 59.089 0.461 1
1 994 . 18 1 1 A 77 77 HIS CB C 77 30.720 29.685 1.035 1
1 997 . 18 1 1 A 77 77 HIS N N 77 123.245 117.758 5.487 1
1 998 . 18 1 1 A 78 78 GLU H H 78 7.832 8.085 -0.253 1
1 999 . 18 1 1 A 78 78 GLU HA H 78 4.159 4.197 -0.038 1
1 1004 . 18 1 1 A 78 78 GLU C C 78 177.909 177.757 0.152 1
1 1005 . 18 1 1 A 78 78 GLU CA C 78 59.110 59.027 0.083 1
1 1006 . 18 1 1 A 78 78 GLU CB C 78 29.380 29.192 0.188 1
1 1008 . 18 1 1 A 78 78 GLU N N 78 121.124 120.725 0.399 1
1 1009 . 18 1 1 A 79 79 LEU H H 79 7.161 7.374 -0.213 1
1 1010 . 18 1 1 A 79 79 LEU HA H 79 4.360 4.237 0.123 1
1 1020 . 18 1 1 A 79 79 LEU C C 79 176.934 176.754 0.180 1
1 1021 . 18 1 1 A 79 79 LEU CA C 79 54.820 55.330 -0.510 1
1 1022 . 18 1 1 A 79 79 LEU CB C 79 43.300 42.630 0.670 1
1 1026 . 18 1 1 A 79 79 LEU N N 79 116.655 118.333 -1.678 1
1 1027 . 18 1 1 A 80 80 GLY H H 80 7.545 7.504 0.041 1
1 1028 . 18 1 1 A 80 80 GLY HA2 H 80 4.101 3.838 0.263 1
1 1029 . 18 1 1 A 80 80 GLY HA3 H 80 3.580 3.922 -0.342 1
1 1030 . 18 1 1 A 80 80 GLY C C 80 174.116 174.363 -0.247 1
1 1031 . 18 1 1 A 80 80 GLY CA C 80 45.010 44.987 0.023 1
1 1032 . 18 1 1 A 80 80 GLY N N 80 105.216 105.567 -0.351 1
1 1033 . 18 1 1 A 81 81 TYR H H 81 7.519 7.575 -0.056 1
1 1034 . 18 1 1 A 81 81 TYR HA H 81 4.727 4.477 0.250 1
1 1041 . 18 1 1 A 81 81 TYR C C 81 174.377 175.115 -0.738 1
1 1042 . 18 1 1 A 81 81 TYR CA C 81 56.960 58.219 -1.259 1
1 1043 . 18 1 1 A 81 81 TYR CB C 81 40.310 38.894 1.416 1
1 1046 . 18 1 1 A 81 81 TYR N N 81 119.660 120.155 -0.495 1
1 1047 . 18 1 1 A 82 82 THR H H 82 8.786 8.719 0.067 1
1 1048 . 18 1 1 A 82 82 THR HA H 82 3.390 3.643 -0.253 1
1 1053 . 18 1 1 A 82 82 THR CA C 82 57.030 58.288 -1.258 1
1 1054 . 18 1 1 A 82 82 THR CB C 82 68.740 68.821 -0.081 1
1 1056 . 18 1 1 A 82 82 THR N N 82 105.368 113.531 -8.163 1
1 1057 . 18 1 1 A 83 83 PRO HA H 83 5.003 4.808 0.195 1
1 1064 . 18 1 1 A 83 83 PRO C C 83 175.699 176.598 -0.899 1
1 1065 . 18 1 1 A 83 83 PRO CA C 83 63.140 62.545 0.595 1
1 1066 . 18 1 1 A 83 83 PRO CB C 83 31.570 32.354 -0.784 1
1 1069 . 18 1 1 A 84 84 TYR H H 84 9.497 8.800 0.697 1
1 1070 . 18 1 1 A 84 84 TYR HA H 84 5.482 5.152 0.330 1
1 1077 . 18 1 1 A 84 84 TYR C C 84 175.506 175.301 0.205 1
1 1078 . 18 1 1 A 84 84 TYR CA C 84 57.570 57.740 -0.170 1
1 1079 . 18 1 1 A 84 84 TYR CB C 84 40.500 39.218 1.282 1
1 1082 . 18 1 1 A 84 84 TYR N N 84 119.880 120.680 -0.800 1
1 1083 . 18 1 1 A 85 85 TYR H H 85 8.570 8.414 0.156 1
1 1084 . 18 1 1 A 85 85 TYR HA H 85 5.730 5.670 0.060 1
1 1089 . 18 1 1 A 85 85 TYR C C 85 172.215 172.420 -0.205 1
1 1090 . 18 1 1 A 85 85 TYR CA C 85 55.240 56.226 -0.986 1
1 1091 . 18 1 1 A 85 85 TYR CB C 85 40.830 41.257 -0.427 1
1 1093 . 18 1 1 A 85 85 TYR N N 85 116.764 118.132 -1.368 1
1 1094 . 18 1 1 A 86 86 LEU H H 86 8.196 9.079 -0.883 1
1 1095 . 18 1 1 A 86 86 LEU HA H 86 4.881 4.992 -0.111 1
1 1105 . 18 1 1 A 86 86 LEU C C 86 177.552 174.836 2.716 1
1 1106 . 18 1 1 A 86 86 LEU CA C 86 53.376 54.059 -0.683 1
1 1107 . 18 1 1 A 86 86 LEU CB C 86 44.360 43.628 0.732 1
1 1111 . 18 1 1 A 86 86 LEU N N 86 121.589 125.289 -3.700 1
1 1112 . 18 1 1 A 87 87 GLU H H 87 9.146 8.623 0.523 1
1 1113 . 18 1 1 A 87 87 GLU HA H 87 4.797 4.935 -0.138 1
1 1118 . 18 1 1 A 87 87 GLU C C 87 174.965 176.790 -1.825 1
1 1119 . 18 1 1 A 87 87 GLU CA C 87 55.405 55.687 -0.282 1
1 1120 . 18 1 1 A 87 87 GLU CB C 87 30.010 30.189 -0.179 1
1 1122 . 18 1 1 A 87 87 GLU N N 87 128.779 126.977 1.802 1
1 1123 . 18 1 1 A 88 88 GLY H H 88 7.349 8.150 -0.801 1
1 1124 . 18 1 1 A 88 88 GLY HA2 H 88 4.110 4.233 -0.123 1
1 1125 . 18 1 1 A 88 88 GLY HA3 H 88 4.023 4.304 -0.281 1
1 1126 . 18 1 1 A 88 88 GLY C C 88 170.593 171.973 -1.380 1
1 1127 . 18 1 1 A 88 88 GLY CA C 88 44.970 45.990 -1.020 1
1 1128 . 18 1 1 A 88 88 GLY N N 88 112.564 110.939 1.625 1
1 1129 . 18 1 1 A 89 89 ASN H H 89 8.756 8.591 0.165 1
1 1130 . 18 1 1 A 89 89 ASN HA H 89 5.722 5.419 0.303 1
1 1135 . 18 1 1 A 89 89 ASN C C 89 176.336 176.286 0.050 1
1 1136 . 18 1 1 A 89 89 ASN CA C 89 52.210 53.873 -1.663 1
1 1137 . 18 1 1 A 89 89 ASN CB C 89 40.950 38.528 2.422 1
1 1138 . 18 1 1 A 89 89 ASN N N 89 121.363 119.351 2.012 1
1 1140 . 18 1 1 A 90 90 VAL H H 90 8.928 8.461 0.467 1
1 1141 . 18 1 1 A 90 90 VAL HA H 90 4.425 2.198 2.227 1
1 1149 . 18 1 1 A 90 90 VAL C C 90 175.660 176.575 -0.915 1
1 1150 . 18 1 1 A 90 90 VAL CA C 90 58.930 64.249 -5.319 1
1 1151 . 18 1 1 A 90 90 VAL CB C 90 30.860 31.528 -0.668 1
1 1154 . 18 1 1 A 90 90 VAL N N 90 128.990 125.483 3.507 1
1 1155 . 18 1 1 A 91 91 TYR H H 91 8.330 7.832 0.498 1
1 1156 . 18 1 1 A 91 91 TYR HA H 91 4.016 4.483 -0.467 1
1 1163 . 18 1 1 A 91 91 TYR C C 91 175.718 178.166 -2.448 1
1 1164 . 18 1 1 A 91 91 TYR CA C 91 61.700 60.967 0.733 1
1 1165 . 18 1 1 A 91 91 TYR CB C 91 36.580 37.619 -1.039 1
1 1168 . 18 1 1 A 91 91 TYR N N 91 119.510 119.968 -0.458 1
1 1169 . 18 1 1 A 92 92 ASP H H 92 8.654 7.889 0.765 1
1 1170 . 18 1 1 A 92 92 ASP HA H 92 5.146 4.716 0.430 1
1 1173 . 18 1 1 A 92 92 ASP C C 92 177.224 179.454 -2.230 1
1 1174 . 18 1 1 A 92 92 ASP CA C 92 54.290 56.258 -1.968 1
1 1175 . 18 1 1 A 92 92 ASP CB C 92 42.670 40.685 1.985 1
1 1176 . 18 1 1 A 92 92 ASP N N 92 117.541 119.797 -2.256 1
1 1177 . 18 1 1 A 93 93 PHE H H 93 7.673 7.774 -0.101 1
1 1178 . 18 1 1 A 93 93 PHE HA H 93 4.688 4.538 0.150 1
1 1186 . 18 1 1 A 93 93 PHE C C 93 179.270 178.445 0.825 1
1 1187 . 18 1 1 A 93 93 PHE CA C 93 60.340 61.827 -1.487 1
1 1188 . 18 1 1 A 93 93 PHE CB C 93 36.010 38.553 -2.543 1
1 1192 . 18 1 1 A 93 93 PHE N N 93 123.205 117.906 5.299 1
1 1193 . 18 1 1 A 94 94 GLU H H 94 9.164 8.247 0.917 1
1 1194 . 18 1 1 A 94 94 GLU HA H 94 4.676 4.286 0.390 1
1 1199 . 18 1 1 A 94 94 GLU C C 94 180.805 179.058 1.747 1
1 1200 . 18 1 1 A 94 94 GLU CA C 94 59.240 59.954 -0.714 1
1 1201 . 18 1 1 A 94 94 GLU CB C 94 29.640 29.622 0.018 1
1 1203 . 18 1 1 A 94 94 GLU N N 94 118.657 119.817 -1.160 1
1 1204 . 18 1 1 A 95 95 LYS H H 95 8.005 8.361 -0.356 1
1 1205 . 18 1 1 A 95 95 LYS HA H 95 4.103 4.163 -0.060 1
1 1214 . 18 1 1 A 95 95 LYS C C 95 177.948 178.206 -0.258 1
1 1215 . 18 1 1 A 95 95 LYS CA C 95 58.680 58.962 -0.282 1
1 1216 . 18 1 1 A 95 95 LYS CB C 95 31.690 32.066 -0.376 1
1 1220 . 18 1 1 A 95 95 LYS N N 95 121.494 118.617 2.877 1
1 1221 . 18 1 1 A 96 96 TYR H H 96 7.710 7.991 -0.281 1
1 1222 . 18 1 1 A 96 96 TYR HA H 96 4.332 4.507 -0.175 1
1 1229 . 18 1 1 A 96 96 TYR C C 96 174.550 175.671 -1.121 1
1 1230 . 18 1 1 A 96 96 TYR CA C 96 59.370 59.308 0.062 1
1 1231 . 18 1 1 A 96 96 TYR CB C 96 38.340 38.849 -0.509 1
1 1234 . 18 1 1 A 96 96 TYR N N 96 117.421 118.656 -1.235 1
1 1235 . 18 1 1 A 97 97 GLY H H 97 7.796 7.777 0.019 1
1 1236 . 18 1 1 A 97 97 GLY HA2 H 97 3.966 3.936 0.030 1
1 1237 . 18 1 1 A 97 97 GLY HA3 H 97 3.580 4.045 -0.465 1
1 1238 . 18 1 1 A 97 97 GLY C C 97 173.662 174.642 -0.980 1
1 1239 . 18 1 1 A 97 97 GLY CA C 97 45.160 45.084 0.076 1
1 1240 . 18 1 1 A 97 97 GLY N N 97 105.806 106.548 -0.742 1
1 1241 . 18 1 1 A 98 98 PHE H H 98 7.323 7.723 -0.400 1
1 1242 . 18 1 1 A 98 98 PHE HA H 98 4.644 4.486 0.158 1
1 1250 . 18 1 1 A 98 98 PHE C C 98 173.353 175.332 -1.979 1
1 1251 . 18 1 1 A 98 98 PHE CA C 98 57.490 58.863 -1.373 1
1 1252 . 18 1 1 A 98 98 PHE CB C 98 38.550 39.440 -0.890 1
1 1256 . 18 1 1 A 98 98 PHE N N 98 120.718 119.276 1.442 1
1 1257 . 18 1 1 A 99 99 ARG H H 99 7.903 8.752 -0.849 1
1 1258 . 18 1 1 A 99 99 ARG HA H 99 4.283 4.339 -0.056 1
1 1265 . 18 1 1 A 99 99 ARG C C 99 175.680 175.148 0.532 1
1 1266 . 18 1 1 A 99 99 ARG CA C 99 56.320 57.093 -0.773 1
1 1267 . 18 1 1 A 99 99 ARG CB C 99 30.610 31.094 -0.484 1
1 1270 . 18 1 1 A 99 99 ARG N N 99 122.817 124.887 -2.070 1
1 1271 . 18 1 1 A 100 100 MET H H 100 8.133 8.900 -0.767 1
1 1272 . 18 1 1 A 100 100 MET HA H 100 4.843 5.007 -0.164 1
1 1280 . 18 1 1 A 100 100 MET C C 100 175.255 174.211 1.044 1
1 1281 . 18 1 1 A 100 100 MET CA C 100 52.343 54.311 -1.968 1
1 1282 . 18 1 1 A 100 100 MET CB C 100 34.410 37.413 -3.003 1
1 1285 . 18 1 1 A 100 100 MET N N 100 121.483 124.966 -3.483 1
1 1286 . 18 1 1 A 101 101 VAL H H 101 8.471 8.698 -0.227 1
1 1287 . 18 1 1 A 101 101 VAL HA H 101 3.890 4.415 -0.525 1
1 1295 . 18 1 1 A 101 101 VAL C C 101 175.351 174.653 0.698 1
1 1296 . 18 1 1 A 101 101 VAL CA C 101 61.500 61.267 0.233 1
1 1297 . 18 1 1 A 101 101 VAL CB C 101 31.730 31.701 0.029 1
1 1300 . 18 1 1 A 101 101 VAL N N 101 119.940 121.740 -1.800 1
1 1301 . 18 1 1 A 102 102 TYR H H 102 8.612 8.838 -0.226 1
1 1302 . 18 1 1 A 102 102 TYR HA H 102 4.938 4.823 0.115 1
1 1309 . 18 1 1 A 102 102 TYR C C 102 175.892 175.998 -0.106 1
1 1310 . 18 1 1 A 102 102 TYR CA C 102 57.140 57.190 -0.050 1
1 1311 . 18 1 1 A 102 102 TYR CB C 102 40.990 39.244 1.746 1
1 1314 . 18 1 1 A 102 102 TYR N N 102 126.390 127.105 -0.715 1
1 1315 . 18 1 1 A 103 103 ASP H H 103 8.071 8.968 -0.897 1
1 1316 . 18 1 1 A 103 103 ASP HA H 103 4.621 4.700 -0.079 1
1 1319 . 18 1 1 A 103 103 ASP C C 103 176.220 175.542 0.678 1
1 1320 . 18 1 1 A 103 103 ASP CA C 103 55.050 54.902 0.148 1
1 1321 . 18 1 1 A 103 103 ASP CB C 103 40.220 39.386 0.834 1
1 1322 . 18 1 1 A 103 103 ASP N N 103 120.738 123.917 -3.179 1
1 1323 . 18 1 1 A 104 104 ASP H H 104 8.642 8.186 0.456 1
1 1324 . 18 1 1 A 104 104 ASP HA H 104 4.730 4.768 -0.038 1
1 1327 . 18 1 1 A 104 104 ASP C C 104 176.095 176.205 -0.110 1
1 1328 . 18 1 1 A 104 104 ASP CA C 104 53.510 55.600 -2.090 1
1 1329 . 18 1 1 A 104 104 ASP CB C 104 41.060 43.188 -2.128 1
1 1330 . 18 1 1 A 104 104 ASP N N 104 121.582 126.863 -5.281 1
1 1331 . 18 1 1 A 105 105 THR H H 105 8.119 8.124 -0.005 1
1 1332 . 18 1 1 A 105 105 THR HA H 105 4.389 4.268 0.121 1
1 1337 . 18 1 1 A 105 105 THR C C 105 173.508 173.909 -0.401 1
1 1338 . 18 1 1 A 105 105 THR CA C 105 61.580 64.527 -2.947 1
1 1339 . 18 1 1 A 105 105 THR CB C 105 69.840 68.320 1.520 1
1 1341 . 18 1 1 A 105 105 THR N N 105 113.632 112.872 0.760 1
1 1342 . 18 1 1 A 106 106 CYS H H 106 8.013 8.056 -0.043 1
1 1343 . 18 1 1 A 106 106 CYS N N 106 129.098 120.787 8.311 1
1 1344 . 18 1 1 A 107 107 ASP HA H 107 4.606 5.034 -0.428 1
1 1347 . 18 1 1 A 107 107 ASP C C 107 176.075 174.561 1.514 1
1 1348 . 18 1 1 A 107 107 ASP CA C 107 54.790 53.655 1.135 1
1 1349 . 18 1 1 A 107 107 ASP CB C 107 40.990 44.523 -3.533 1
1 1350 . 18 1 1 A 108 108 LYS H H 108 8.216 8.722 -0.506 1
1 1351 . 18 1 1 A 108 108 LYS HA H 108 4.326 4.509 -0.183 1
1 1360 . 18 1 1 A 108 108 LYS C C 108 176.490 175.742 0.748 1
1 1361 . 18 1 1 A 108 108 LYS CA C 108 56.140 57.862 -1.722 1
1 1362 . 18 1 1 A 108 108 LYS CB C 108 32.910 34.333 -1.423 1
1 1366 . 18 1 1 A 108 108 LYS N N 108 121.982 123.959 -1.977 1
1 1367 . 18 1 1 A 109 109 LYS H H 109 8.411 8.106 0.305 1
1 1368 . 18 1 1 A 109 109 LYS HA H 109 4.344 4.150 0.194 1
1 1377 . 18 1 1 A 109 109 LYS C C 109 175.583 175.640 -0.057 1
1 1378 . 18 1 1 A 109 109 LYS CA C 109 56.150 58.400 -2.250 1
1 1379 . 18 1 1 A 109 109 LYS CB C 109 33.050 31.226 1.824 1
1 1383 . 18 1 1 A 109 109 LYS N N 109 122.966 117.609 5.357 1
1 14 . 19 1 1 A 2 2 LEU H H 2 8.858 7.758 1.100 1
1 15 . 19 1 1 A 2 2 LEU HA H 2 4.010 3.839 0.171 1
1 25 . 19 1 1 A 2 2 LEU C C 2 179.512 178.656 0.856 1
1 26 . 19 1 1 A 2 2 LEU CA C 2 57.230 57.309 -0.079 1
1 27 . 19 1 1 A 2 2 LEU CB C 2 41.500 41.038 0.462 1
1 31 . 19 1 1 A 2 2 LEU N N 2 124.589 115.758 8.831 1
1 32 . 19 1 1 A 3 3 GLU H H 3 9.299 9.023 0.276 1
1 33 . 19 1 1 A 3 3 GLU HA H 3 4.234 4.572 -0.338 1
1 38 . 19 1 1 A 3 3 GLU C C 3 178.189 177.729 0.460 1
1 39 . 19 1 1 A 3 3 GLU CA C 3 59.930 58.378 1.552 1
1 40 . 19 1 1 A 3 3 GLU CB C 3 28.810 27.810 1.000 1
1 42 . 19 1 1 A 3 3 GLU N N 3 118.833 122.216 -3.383 1
1 43 . 19 1 1 A 4 4 ASP H H 4 8.188 8.146 0.042 1
1 44 . 19 1 1 A 4 4 ASP HA H 4 4.524 4.475 0.049 1
1 47 . 19 1 1 A 4 4 ASP C C 4 176.722 177.607 -0.885 1
1 48 . 19 1 1 A 4 4 ASP CA C 4 56.240 57.044 -0.804 1
1 49 . 19 1 1 A 4 4 ASP CB C 4 39.910 41.371 -1.461 1
1 50 . 19 1 1 A 4 4 ASP N N 4 118.286 120.307 -2.021 1
1 51 . 19 1 1 A 5 5 TYR H H 5 8.336 7.903 0.433 1
1 52 . 19 1 1 A 5 5 TYR HA H 5 4.284 4.578 -0.294 1
1 59 . 19 1 1 A 5 5 TYR C C 5 172.456 175.767 -3.311 1
1 60 . 19 1 1 A 5 5 TYR CA C 5 58.770 58.845 -0.075 1
1 61 . 19 1 1 A 5 5 TYR CB C 5 37.820 37.876 -0.056 1
1 64 . 19 1 1 A 5 5 TYR N N 5 119.641 116.496 3.145 1
1 65 . 19 1 1 A 6 6 ALA H H 6 6.748 7.392 -0.644 1
1 66 . 19 1 1 A 6 6 ALA HA H 6 3.470 3.255 0.215 1
1 70 . 19 1 1 A 6 6 ALA C C 6 178.122 176.441 1.681 1
1 71 . 19 1 1 A 6 6 ALA CA C 6 51.440 51.465 -0.025 1
1 72 . 19 1 1 A 6 6 ALA CB C 6 19.600 18.525 1.075 1
1 73 . 19 1 1 A 6 6 ALA N N 6 122.727 123.124 -0.397 1
1 74 . 19 1 1 A 7 7 ILE H H 7 8.665 8.155 0.510 1
1 75 . 19 1 1 A 7 7 ILE HA H 7 4.303 4.254 0.049 1
1 85 . 19 1 1 A 7 7 ILE C C 7 174.386 175.639 -1.253 1
1 86 . 19 1 1 A 7 7 ILE CA C 7 58.640 61.211 -2.571 1
1 87 . 19 1 1 A 7 7 ILE CB C 7 39.820 37.715 2.105 1
1 91 . 19 1 1 A 7 7 ILE N N 7 124.318 123.920 0.398 1
1 92 . 19 1 1 A 8 8 SER H H 8 8.884 8.831 0.053 1
1 93 . 19 1 1 A 8 8 SER HA H 8 4.881 4.579 0.302 1
1 96 . 19 1 1 A 8 8 SER C C 8 176.268 175.382 0.886 1
1 97 . 19 1 1 A 8 8 SER CA C 8 57.157 58.323 -1.166 1
1 98 . 19 1 1 A 8 8 SER CB C 8 64.390 64.592 -0.202 1
1 99 . 19 1 1 A 8 8 SER N N 8 122.739 122.427 0.312 1
1 100 . 19 1 1 A 9 9 LEU H H 9 8.077 8.674 -0.597 1
1 101 . 19 1 1 A 9 9 LEU HA H 9 3.652 3.992 -0.340 1
1 111 . 19 1 1 A 9 9 LEU C C 9 175.322 178.475 -3.153 1
1 112 . 19 1 1 A 9 9 LEU CA C 9 57.190 57.908 -0.718 1
1 113 . 19 1 1 A 9 9 LEU CB C 9 42.290 41.734 0.556 1
1 117 . 19 1 1 A 9 9 LEU N N 9 126.321 128.103 -1.782 1
1 118 . 19 1 1 A 10 10 GLU H H 10 8.361 9.441 -1.080 1
1 119 . 19 1 1 A 10 10 GLU HA H 10 3.754 4.458 -0.704 1
1 124 . 19 1 1 A 10 10 GLU C C 10 176.452 177.003 -0.551 1
1 125 . 19 1 1 A 10 10 GLU CA C 10 58.470 58.305 0.165 1
1 126 . 19 1 1 A 10 10 GLU CB C 10 29.480 28.045 1.435 1
1 128 . 19 1 1 A 10 10 GLU N N 10 112.911 117.063 -4.152 1
1 129 . 19 1 1 A 11 11 GLU H H 11 7.284 8.105 -0.821 1
1 130 . 19 1 1 A 11 11 GLU HA H 11 4.531 4.515 0.016 1
1 135 . 19 1 1 A 11 11 GLU C C 11 176.539 176.147 0.392 1
1 136 . 19 1 1 A 11 11 GLU CA C 11 55.240 55.938 -0.698 1
1 137 . 19 1 1 A 11 11 GLU CB C 11 32.160 31.019 1.141 1
1 139 . 19 1 1 A 11 11 GLU N N 11 114.276 115.636 -1.360 1
1 140 . 19 1 1 A 12 12 VAL H H 12 7.077 7.393 -0.316 1
1 141 . 19 1 1 A 12 12 VAL HA H 12 3.677 3.982 -0.305 1
1 149 . 19 1 1 A 12 12 VAL C C 12 173.900 174.507 -0.607 1
1 150 . 19 1 1 A 12 12 VAL CA C 12 62.510 61.961 0.549 1
1 151 . 19 1 1 A 12 12 VAL CB C 12 31.920 32.340 -0.420 1
1 154 . 19 1 1 A 12 12 VAL N N 12 121.932 121.103 0.829 1
1 155 . 19 1 1 A 13 13 ASN H H 13 7.996 8.529 -0.533 1
1 156 . 19 1 1 A 13 13 ASN HA H 13 4.840 5.107 -0.267 1
1 161 . 19 1 1 A 13 13 ASN C C 13 176.876 175.030 1.846 1
1 162 . 19 1 1 A 13 13 ASN CA C 13 52.168 51.698 0.470 1
1 163 . 19 1 1 A 13 13 ASN CB C 13 38.500 39.669 -1.169 1
1 164 . 19 1 1 A 13 13 ASN N N 13 121.232 125.689 -4.457 1
1 166 . 19 1 1 A 14 14 PHE H H 14 6.268 7.851 -1.583 1
1 167 . 19 1 1 A 14 14 PHE HA H 14 3.868 4.185 -0.317 1
1 175 . 19 1 1 A 14 14 PHE C C 14 176.423 178.057 -1.634 1
1 176 . 19 1 1 A 14 14 PHE CA C 14 62.520 60.793 1.727 1
1 177 . 19 1 1 A 14 14 PHE CB C 14 38.780 38.696 0.084 1
1 181 . 19 1 1 A 14 14 PHE N N 14 120.637 121.775 -1.138 1
1 182 . 19 1 1 A 15 15 ASN H H 15 8.184 8.558 -0.374 1
1 183 . 19 1 1 A 15 15 ASN HA H 15 4.602 4.427 0.175 1
1 188 . 19 1 1 A 15 15 ASN C C 15 175.738 177.158 -1.420 1
1 189 . 19 1 1 A 15 15 ASN CA C 15 55.240 55.323 -0.083 1
1 190 . 19 1 1 A 15 15 ASN CB C 15 38.270 36.615 1.655 1
1 191 . 19 1 1 A 15 15 ASN N N 15 113.599 116.062 -2.463 1
1 193 . 19 1 1 A 16 16 ASP H H 16 7.680 7.350 0.330 1
1 194 . 19 1 1 A 16 16 ASP HA H 16 4.450 4.186 0.264 1
1 197 . 19 1 1 A 16 16 ASP C C 16 174.589 175.573 -0.984 1
1 198 . 19 1 1 A 16 16 ASP CA C 16 54.860 56.131 -1.271 1
1 199 . 19 1 1 A 16 16 ASP CB C 16 41.140 41.112 0.028 1
1 200 . 19 1 1 A 16 16 ASP N N 16 117.808 119.713 -1.905 1
1 201 . 19 1 1 A 17 17 PHE H H 17 7.648 7.232 0.416 1
1 202 . 19 1 1 A 17 17 PHE HA H 17 4.788 4.974 -0.186 1
1 210 . 19 1 1 A 17 17 PHE C C 17 175.516 175.802 -0.286 1
1 211 . 19 1 1 A 17 17 PHE CA C 17 56.790 57.028 -0.238 1
1 212 . 19 1 1 A 17 17 PHE CB C 17 44.090 41.507 2.583 1
1 216 . 19 1 1 A 17 17 PHE N N 17 116.207 115.613 0.594 1
1 217 . 19 1 1 A 18 18 ILE H H 18 8.674 9.033 -0.359 1
1 218 . 19 1 1 A 18 18 ILE HA H 18 4.335 4.472 -0.137 1
1 228 . 19 1 1 A 18 18 ILE C C 18 175.612 175.696 -0.084 1
1 229 . 19 1 1 A 18 18 ILE CA C 18 60.930 61.384 -0.454 1
1 230 . 19 1 1 A 18 18 ILE CB C 18 37.620 37.445 0.175 1
1 234 . 19 1 1 A 18 18 ILE N N 18 121.498 122.592 -1.094 1
1 235 . 19 1 1 A 19 19 VAL H H 19 9.009 8.432 0.577 1
1 236 . 19 1 1 A 19 19 VAL HA H 19 4.760 4.951 -0.191 1
1 244 . 19 1 1 A 19 19 VAL C C 19 175.622 175.543 0.079 1
1 245 . 19 1 1 A 19 19 VAL CA C 19 62.974 61.791 1.183 1
1 246 . 19 1 1 A 19 19 VAL CB C 19 32.770 32.767 0.003 1
1 249 . 19 1 1 A 19 19 VAL N N 19 129.378 128.608 0.770 1
1 250 . 19 1 1 A 20 20 VAL H H 20 9.606 9.187 0.419 1
1 251 . 19 1 1 A 20 20 VAL HA H 20 4.581 4.482 0.099 1
1 259 . 19 1 1 A 20 20 VAL C C 20 172.234 174.812 -2.578 1
1 260 . 19 1 1 A 20 20 VAL CA C 20 60.660 60.602 0.058 1
1 261 . 19 1 1 A 20 20 VAL CB C 20 33.910 34.894 -0.984 1
1 264 . 19 1 1 A 20 20 VAL N N 20 131.965 127.567 4.398 1
1 265 . 19 1 1 A 21 21 ASP H H 21 8.367 8.851 -0.484 1
1 266 . 19 1 1 A 21 21 ASP HA H 21 4.105 4.353 -0.248 1
1 269 . 19 1 1 A 21 21 ASP C C 21 176.182 175.437 0.745 1
1 270 . 19 1 1 A 21 21 ASP CA C 21 50.850 53.356 -2.506 1
1 271 . 19 1 1 A 21 21 ASP CB C 21 43.460 40.902 2.558 1
1 272 . 19 1 1 A 21 21 ASP N N 21 129.516 127.622 1.894 1
1 273 . 19 1 1 A 22 22 VAL H H 22 8.095 7.944 0.151 1
1 274 . 19 1 1 A 22 22 VAL HA H 22 5.720 4.984 0.736 1
1 282 . 19 1 1 A 22 22 VAL C C 22 178.006 174.642 3.364 1
1 283 . 19 1 1 A 22 22 VAL CA C 22 58.990 61.154 -2.164 1
1 284 . 19 1 1 A 22 22 VAL CB C 22 30.150 31.228 -1.078 1
1 287 . 19 1 1 A 22 22 VAL N N 22 114.833 120.561 -5.728 1
1 288 . 19 1 1 A 23 23 ARG H H 23 7.467 8.103 -0.636 1
1 289 . 19 1 1 A 23 23 ARG HA H 23 4.358 4.552 -0.194 1
1 299 . 19 1 1 A 23 23 ARG C C 23 172.157 176.059 -3.902 1
1 300 . 19 1 1 A 23 23 ARG CA C 23 56.190 56.495 -0.305 1
1 301 . 19 1 1 A 23 23 ARG CB C 23 31.230 32.238 -1.008 1
1 304 . 19 1 1 A 23 23 ARG N N 23 120.418 125.168 -4.750 1
1 307 . 19 1 1 A 24 24 GLU H H 24 7.372 7.712 -0.340 1
1 308 . 19 1 1 A 24 24 GLU HA H 24 4.454 4.730 -0.276 1
1 313 . 19 1 1 A 24 24 GLU C C 24 178.807 176.165 2.642 1
1 314 . 19 1 1 A 24 24 GLU CA C 24 53.870 55.774 -1.904 1
1 315 . 19 1 1 A 24 24 GLU CB C 24 31.610 33.455 -1.845 1
1 317 . 19 1 1 A 24 24 GLU N N 24 111.001 115.800 -4.799 1
1 318 . 19 1 1 A 25 25 LEU H H 25 8.842 8.605 0.237 1
1 319 . 19 1 1 A 25 25 LEU HA H 25 3.922 3.977 -0.055 1
1 329 . 19 1 1 A 25 25 LEU C C 25 177.591 177.673 -0.082 1
1 330 . 19 1 1 A 25 25 LEU CA C 25 58.800 58.863 -0.063 1
1 331 . 19 1 1 A 25 25 LEU CB C 25 42.000 41.396 0.604 1
1 335 . 19 1 1 A 25 25 LEU N N 25 122.468 126.137 -3.669 1
1 336 . 19 1 1 A 26 26 ASP H H 26 8.671 8.040 0.631 1
1 337 . 19 1 1 A 26 26 ASP HA H 26 4.389 4.283 0.106 1
1 340 . 19 1 1 A 26 26 ASP C C 26 178.739 178.306 0.433 1
1 341 . 19 1 1 A 26 26 ASP CA C 26 56.540 57.972 -1.432 1
1 342 . 19 1 1 A 26 26 ASP CB C 26 39.570 42.381 -2.811 1
1 343 . 19 1 1 A 26 26 ASP N N 26 114.189 118.486 -4.297 1
1 344 . 19 1 1 A 27 27 GLU H H 27 7.235 8.162 -0.927 1
1 345 . 19 1 1 A 27 27 GLU HA H 27 4.304 4.035 0.269 1
1 350 . 19 1 1 A 27 27 GLU C C 27 177.678 178.775 -1.097 1
1 351 . 19 1 1 A 27 27 GLU CA C 27 58.830 59.100 -0.270 1
1 352 . 19 1 1 A 27 27 GLU CB C 27 30.650 29.645 1.005 1
1 354 . 19 1 1 A 27 27 GLU N N 27 120.618 118.903 1.715 1
1 355 . 19 1 1 A 28 28 TYR H H 28 7.703 8.138 -0.435 1
1 356 . 19 1 1 A 28 28 TYR HA H 28 4.149 4.019 0.130 1
1 363 . 19 1 1 A 28 28 TYR C C 28 177.108 177.914 -0.806 1
1 364 . 19 1 1 A 28 28 TYR CA C 28 60.600 61.178 -0.578 1
1 365 . 19 1 1 A 28 28 TYR CB C 28 39.300 38.521 0.779 1
1 370 . 19 1 1 A 28 28 TYR N N 28 121.871 121.867 0.004 1
1 371 . 19 1 1 A 29 29 GLU H H 29 8.727 8.224 0.503 1
1 372 . 19 1 1 A 29 29 GLU HA H 29 3.823 3.760 0.063 1
1 377 . 19 1 1 A 29 29 GLU C C 29 177.456 178.694 -1.238 1
1 378 . 19 1 1 A 29 29 GLU CA C 29 58.770 60.022 -1.252 1
1 379 . 19 1 1 A 29 29 GLU CB C 29 29.880 29.546 0.334 1
1 381 . 19 1 1 A 29 29 GLU N N 29 116.326 118.073 -1.747 1
1 382 . 19 1 1 A 30 30 GLU H H 30 7.225 8.090 -0.865 1
1 383 . 19 1 1 A 30 30 GLU HA H 30 4.219 4.154 0.065 1
1 388 . 19 1 1 A 30 30 GLU C C 30 177.012 176.364 0.648 1
1 389 . 19 1 1 A 30 30 GLU CA C 30 59.750 58.712 1.038 1
1 390 . 19 1 1 A 30 30 GLU CB C 30 29.310 29.142 0.168 1
1 392 . 19 1 1 A 30 30 GLU N N 30 119.394 117.172 2.222 1
1 393 . 19 1 1 A 31 31 LEU H H 31 7.512 7.112 0.400 1
1 394 . 19 1 1 A 31 31 LEU HA H 31 5.102 4.591 0.511 1
1 404 . 19 1 1 A 31 31 LEU C C 31 173.363 174.532 -1.169 1
1 405 . 19 1 1 A 31 31 LEU CA C 31 55.760 53.750 2.010 1
1 406 . 19 1 1 A 31 31 LEU CB C 31 42.880 43.203 -0.323 1
1 410 . 19 1 1 A 31 31 LEU N N 31 118.039 116.656 1.383 1
1 411 . 19 1 1 A 32 32 HIS H H 32 8.196 8.357 -0.161 1
1 412 . 19 1 1 A 32 32 HIS HA H 32 4.433 5.054 -0.621 1
1 417 . 19 1 1 A 32 32 HIS C C 32 171.973 171.950 0.023 1
1 418 . 19 1 1 A 32 32 HIS CA C 32 54.660 54.458 0.202 1
1 419 . 19 1 1 A 32 32 HIS CB C 32 31.500 31.034 0.466 1
1 422 . 19 1 1 A 32 32 HIS N N 32 114.425 115.186 -0.761 1
1 423 . 19 1 1 A 33 33 LEU H H 33 10.099 8.690 1.409 1
1 424 . 19 1 1 A 33 33 LEU HA H 33 4.745 4.310 0.435 1
1 434 . 19 1 1 A 33 33 LEU CA C 33 53.423 53.002 0.421 1
1 435 . 19 1 1 A 33 33 LEU CB C 33 42.750 41.408 1.342 1
1 439 . 19 1 1 A 33 33 LEU N N 33 124.819 120.630 4.189 1
1 440 . 19 1 1 A 34 34 PRO HA H 34 4.328 4.453 -0.125 1
1 447 . 19 1 1 A 34 34 PRO C C 34 177.012 176.267 0.745 1
1 448 . 19 1 1 A 34 34 PRO CA C 34 64.440 64.273 0.167 1
1 449 . 19 1 1 A 34 34 PRO CB C 34 31.660 31.632 0.028 1
1 452 . 19 1 1 A 35 35 ASN H H 35 8.736 8.137 0.599 1
1 453 . 19 1 1 A 35 35 ASN HA H 35 4.701 4.958 -0.257 1
1 458 . 19 1 1 A 35 35 ASN C C 35 174.801 174.730 0.071 1
1 459 . 19 1 1 A 35 35 ASN CA C 35 53.470 52.801 0.669 1
1 460 . 19 1 1 A 35 35 ASN CB C 35 37.650 39.304 -1.654 1
1 461 . 19 1 1 A 35 35 ASN N N 35 113.231 115.400 -2.169 1
1 463 . 19 1 1 A 36 36 ALA H H 36 7.434 7.322 0.112 1
1 464 . 19 1 1 A 36 36 ALA HA H 36 4.523 4.738 -0.215 1
1 468 . 19 1 1 A 36 36 ALA C C 36 177.494 176.527 0.967 1
1 469 . 19 1 1 A 36 36 ALA CA C 36 52.700 50.364 2.336 1
1 470 . 19 1 1 A 36 36 ALA CB C 36 21.760 20.715 1.045 1
1 471 . 19 1 1 A 36 36 ALA N N 36 122.419 123.032 -0.613 1
1 472 . 19 1 1 A 37 37 THR H H 37 8.334 8.655 -0.321 1
1 473 . 19 1 1 A 37 37 THR HA H 37 4.184 4.461 -0.277 1
1 479 . 19 1 1 A 37 37 THR C C 37 172.359 173.853 -1.494 1
1 480 . 19 1 1 A 37 37 THR CA C 37 63.020 63.056 -0.036 1
1 481 . 19 1 1 A 37 37 THR CB C 37 69.800 69.405 0.395 1
1 483 . 19 1 1 A 37 37 THR N N 37 121.183 119.127 2.056 1
1 484 . 19 1 1 A 38 38 LEU H H 38 8.306 8.529 -0.223 1
1 485 . 19 1 1 A 38 38 LEU HA H 38 4.815 4.489 0.326 1
1 495 . 19 1 1 A 38 38 LEU C C 38 176.529 174.832 1.697 1
1 496 . 19 1 1 A 38 38 LEU CA C 38 53.873 54.588 -0.715 1
1 497 . 19 1 1 A 38 38 LEU CB C 38 41.830 42.098 -0.268 1
1 501 . 19 1 1 A 38 38 LEU N N 38 130.981 129.877 1.104 1
1 502 . 19 1 1 A 39 39 ILE H H 39 8.612 8.050 0.562 1
1 503 . 19 1 1 A 39 39 ILE HA H 39 3.779 4.513 -0.734 1
1 513 . 19 1 1 A 39 39 ILE C C 39 172.186 174.849 -2.663 1
1 514 . 19 1 1 A 39 39 ILE CA C 39 62.040 60.052 1.988 1
1 515 . 19 1 1 A 39 39 ILE CB C 39 40.360 41.846 -1.486 1
1 519 . 19 1 1 A 39 39 ILE N N 39 131.100 128.837 2.263 1
1 520 . 19 1 1 A 40 40 SER H H 40 8.123 8.966 -0.843 1
1 521 . 19 1 1 A 40 40 SER HA H 40 3.904 4.432 -0.528 1
1 524 . 19 1 1 A 40 40 SER C C 40 177.629 175.297 2.332 1
1 525 . 19 1 1 A 40 40 SER CA C 40 58.810 59.076 -0.266 1
1 526 . 19 1 1 A 40 40 SER CB C 40 63.090 63.434 -0.344 1
1 527 . 19 1 1 A 40 40 SER N N 40 118.068 122.944 -4.876 1
1 528 . 19 1 1 A 41 41 VAL H H 41 7.739 8.539 -0.800 1
1 529 . 19 1 1 A 41 41 VAL HA H 41 3.913 3.831 0.082 1
1 537 . 19 1 1 A 41 41 VAL C C 41 174.714 177.590 -2.876 1
1 538 . 19 1 1 A 41 41 VAL CA C 41 58.990 64.894 -5.904 1
1 539 . 19 1 1 A 41 41 VAL CB C 41 31.730 31.775 -0.045 1
1 542 . 19 1 1 A 41 41 VAL N N 41 124.290 127.035 -2.745 1
1 543 . 19 1 1 A 42 42 ASN H H 42 8.344 8.055 0.289 1
1 544 . 19 1 1 A 42 42 ASN HA H 42 4.630 4.520 0.110 1
1 549 . 19 1 1 A 42 42 ASN C C 42 175.699 176.218 -0.519 1
1 550 . 19 1 1 A 42 42 ASN CA C 42 54.860 56.268 -1.408 1
1 551 . 19 1 1 A 42 42 ASN CB C 42 38.610 38.406 0.204 1
1 552 . 19 1 1 A 42 42 ASN N N 42 116.715 119.321 -2.606 1
1 554 . 19 1 1 A 43 43 ASP H H 43 8.417 7.533 0.884 1
1 555 . 19 1 1 A 43 43 ASP HA H 43 5.021 4.873 0.148 1
1 558 . 19 1 1 A 43 43 ASP C C 43 175.699 175.927 -0.228 1
1 559 . 19 1 1 A 43 43 ASP CA C 43 52.300 52.887 -0.587 1
1 560 . 19 1 1 A 43 43 ASP CB C 43 39.540 38.978 0.562 1
1 561 . 19 1 1 A 43 43 ASP N N 43 125.038 118.995 6.043 1
1 562 . 19 1 1 A 44 44 GLN H H 44 7.762 8.154 -0.392 1
1 563 . 19 1 1 A 44 44 GLN HA H 44 3.815 4.054 -0.239 1
1 570 . 19 1 1 A 44 44 GLN C C 44 178.430 178.083 0.347 1
1 571 . 19 1 1 A 44 44 GLN CA C 44 59.650 59.050 0.600 1
1 572 . 19 1 1 A 44 44 GLN CB C 44 28.760 28.200 0.560 1
1 574 . 19 1 1 A 44 44 GLN N N 44 119.490 123.330 -3.840 1
1 576 . 19 1 1 A 45 45 GLU H H 45 8.705 8.380 0.325 1
1 577 . 19 1 1 A 45 45 GLU HA H 45 4.059 4.063 -0.004 1
1 582 . 19 1 1 A 45 45 GLU C C 45 178.739 178.823 -0.084 1
1 583 . 19 1 1 A 45 45 GLU CA C 45 59.660 59.409 0.251 1
1 584 . 19 1 1 A 45 45 GLU CB C 45 28.900 29.244 -0.344 1
1 586 . 19 1 1 A 45 45 GLU N N 45 119.373 118.538 0.835 1
1 587 . 19 1 1 A 46 46 LYS H H 46 7.545 7.773 -0.228 1
1 588 . 19 1 1 A 46 46 LYS HA H 46 4.119 4.159 -0.040 1
1 597 . 19 1 1 A 46 46 LYS C C 46 179.579 178.738 0.841 1
1 598 . 19 1 1 A 46 46 LYS CA C 46 58.940 59.268 -0.328 1
1 599 . 19 1 1 A 46 46 LYS CB C 46 32.750 32.228 0.522 1
1 603 . 19 1 1 A 46 46 LYS N N 46 120.645 119.799 0.846 1
1 604 . 19 1 1 A 47 47 LEU H H 47 8.005 7.727 0.278 1
1 605 . 19 1 1 A 47 47 LEU HA H 47 4.059 4.058 0.001 1
1 615 . 19 1 1 A 47 47 LEU C C 47 177.436 178.009 -0.573 1
1 616 . 19 1 1 A 47 47 LEU CA C 47 58.090 58.022 0.068 1
1 617 . 19 1 1 A 47 47 LEU CB C 47 41.150 41.426 -0.276 1
1 621 . 19 1 1 A 47 47 LEU N N 47 122.201 121.367 0.834 1
1 622 . 19 1 1 A 48 48 ALA H H 48 8.239 8.461 -0.222 1
1 623 . 19 1 1 A 48 48 ALA HA H 48 3.733 3.652 0.081 1
1 627 . 19 1 1 A 48 48 ALA C C 48 179.347 178.774 0.573 1
1 628 . 19 1 1 A 48 48 ALA CA C 48 55.420 55.170 0.250 1
1 629 . 19 1 1 A 48 48 ALA CB C 48 18.240 17.830 0.410 1
1 630 . 19 1 1 A 48 48 ALA N N 48 121.483 120.896 0.587 1
1 631 . 19 1 1 A 49 49 ASP H H 49 8.001 7.825 0.176 1
1 632 . 19 1 1 A 49 49 ASP HA H 49 4.308 4.315 -0.007 1
1 635 . 19 1 1 A 49 49 ASP C C 49 179.106 178.246 0.860 1
1 636 . 19 1 1 A 49 49 ASP CA C 49 57.350 57.202 0.148 1
1 637 . 19 1 1 A 49 49 ASP CB C 49 41.250 41.839 -0.589 1
1 638 . 19 1 1 A 49 49 ASP N N 49 117.231 118.843 -1.612 1
1 639 . 19 1 1 A 50 50 PHE H H 50 8.265 8.177 0.088 1
1 640 . 19 1 1 A 50 50 PHE HA H 50 4.101 4.036 0.065 1
1 647 . 19 1 1 A 50 50 PHE C C 50 179.048 176.842 2.206 1
1 648 . 19 1 1 A 50 50 PHE CA C 50 62.590 61.095 1.495 1
1 649 . 19 1 1 A 50 50 PHE CB C 50 39.810 39.441 0.369 1
1 651 . 19 1 1 A 50 50 PHE N N 50 122.379 120.237 2.142 1
1 652 . 19 1 1 A 51 51 LEU H H 51 8.653 7.888 0.765 1
1 653 . 19 1 1 A 51 51 LEU HA H 51 3.789 3.844 -0.055 1
1 663 . 19 1 1 A 51 51 LEU C C 51 180.400 178.539 1.861 1
1 664 . 19 1 1 A 51 51 LEU CA C 51 58.140 57.099 1.041 1
1 665 . 19 1 1 A 51 51 LEU CB C 51 38.770 41.322 -2.552 1
1 669 . 19 1 1 A 51 51 LEU N N 51 120.277 119.530 0.747 1
1 670 . 19 1 1 A 52 52 SER H H 52 8.332 7.784 0.548 1
1 671 . 19 1 1 A 52 52 SER HA H 52 4.160 4.368 -0.208 1
1 674 . 19 1 1 A 52 52 SER C C 52 176.220 176.370 -0.150 1
1 675 . 19 1 1 A 52 52 SER CA C 52 61.840 60.988 0.852 1
1 676 . 19 1 1 A 52 52 SER CB C 52 62.850 62.996 -0.146 1
1 677 . 19 1 1 A 52 52 SER N N 52 115.630 114.372 1.258 1
1 678 . 19 1 1 A 53 53 GLN H H 53 7.405 7.714 -0.309 1
1 679 . 19 1 1 A 53 53 GLN HA H 53 4.092 4.195 -0.103 1
1 686 . 19 1 1 A 53 53 GLN C C 53 176.046 176.437 -0.391 1
1 687 . 19 1 1 A 53 53 GLN CA C 53 56.560 57.641 -1.081 1
1 688 . 19 1 1 A 53 53 GLN CB C 53 28.580 28.334 0.246 1
1 690 . 19 1 1 A 53 53 GLN N N 53 119.056 119.469 -0.413 1
1 692 . 19 1 1 A 54 54 HIS H H 54 7.311 7.759 -0.448 1
1 693 . 19 1 1 A 54 54 HIS HA H 54 4.754 4.666 0.088 1
1 696 . 19 1 1 A 54 54 HIS C C 54 175.467 175.832 -0.365 1
1 697 . 19 1 1 A 54 54 HIS CA C 54 55.562 57.131 -1.569 1
1 698 . 19 1 1 A 54 54 HIS CB C 54 29.650 31.879 -2.229 1
1 699 . 19 1 1 A 54 54 HIS N N 54 117.800 115.425 2.375 1
1 700 . 19 1 1 A 55 55 LYS H H 55 7.646 7.791 -0.145 1
1 701 . 19 1 1 A 55 55 LYS HA H 55 4.296 4.058 0.238 1
1 710 . 19 1 1 A 55 55 LYS C C 55 176.741 175.302 1.439 1
1 711 . 19 1 1 A 55 55 LYS CA C 55 58.710 58.869 -0.159 1
1 712 . 19 1 1 A 55 55 LYS CB C 55 32.370 30.423 1.947 1
1 716 . 19 1 1 A 55 55 LYS N N 55 119.903 116.061 3.842 1
1 717 . 19 1 1 A 56 56 ASP H H 56 8.853 8.090 0.763 1
1 718 . 19 1 1 A 56 56 ASP HA H 56 4.655 4.805 -0.150 1
1 721 . 19 1 1 A 56 56 ASP C C 56 175.158 174.710 0.448 1
1 722 . 19 1 1 A 56 56 ASP CA C 56 53.930 53.295 0.635 1
1 723 . 19 1 1 A 56 56 ASP CB C 56 40.220 39.536 0.684 1
1 724 . 19 1 1 A 56 56 ASP N N 56 116.429 120.556 -4.127 1
1 725 . 19 1 1 A 57 57 LYS H H 57 7.655 8.104 -0.449 1
1 726 . 19 1 1 A 57 57 LYS HA H 57 4.701 5.094 -0.393 1
1 735 . 19 1 1 A 57 57 LYS C C 57 175.236 174.358 0.878 1
1 736 . 19 1 1 A 57 57 LYS CA C 57 53.830 55.075 -1.245 1
1 737 . 19 1 1 A 57 57 LYS CB C 57 35.550 35.993 -0.443 1
1 741 . 19 1 1 A 57 57 LYS N N 57 119.510 121.395 -1.885 1
1 742 . 19 1 1 A 58 58 LYS H H 58 8.265 8.647 -0.382 1
1 743 . 19 1 1 A 58 58 LYS HA H 58 4.745 4.895 -0.150 1
1 752 . 19 1 1 A 58 58 LYS C C 58 175.651 175.181 0.470 1
1 753 . 19 1 1 A 58 58 LYS CA C 58 56.870 55.578 1.292 1
1 754 . 19 1 1 A 58 58 LYS CB C 58 33.250 33.509 -0.259 1
1 758 . 19 1 1 A 58 58 LYS N N 58 120.091 123.162 -3.071 1
1 759 . 19 1 1 A 59 59 VAL H H 59 9.233 9.249 -0.016 1
1 760 . 19 1 1 A 59 59 VAL HA H 59 5.231 5.246 -0.015 1
1 768 . 19 1 1 A 59 59 VAL C C 59 173.556 173.788 -0.232 1
1 769 . 19 1 1 A 59 59 VAL CA C 59 60.930 61.281 -0.351 1
1 770 . 19 1 1 A 59 59 VAL CB C 59 34.300 34.239 0.061 1
1 772 . 19 1 1 A 59 59 VAL N N 59 127.047 127.187 -0.140 1
1 773 . 19 1 1 A 60 60 LEU H H 60 9.228 8.915 0.313 1
1 774 . 19 1 1 A 60 60 LEU HA H 60 4.815 5.249 -0.434 1
1 784 . 19 1 1 A 60 60 LEU C C 60 173.421 174.643 -1.222 1
1 785 . 19 1 1 A 60 60 LEU CA C 60 52.586 53.354 -0.768 1
1 786 . 19 1 1 A 60 60 LEU CB C 60 45.660 45.505 0.155 1
1 790 . 19 1 1 A 60 60 LEU N N 60 129.197 130.226 -1.029 1
1 791 . 19 1 1 A 61 61 LEU H H 61 9.055 9.277 -0.222 1
1 792 . 19 1 1 A 61 61 LEU HA H 61 5.713 5.040 0.673 1
1 802 . 19 1 1 A 61 61 LEU C C 61 176.683 176.267 0.416 1
1 803 . 19 1 1 A 61 61 LEU CA C 61 52.760 53.806 -1.046 1
1 804 . 19 1 1 A 61 61 LEU CB C 61 43.220 42.163 1.057 1
1 808 . 19 1 1 A 61 61 LEU N N 61 125.903 128.846 -2.943 1
1 809 . 19 1 1 A 62 62 HIS H H 62 9.148 8.896 0.252 1
1 810 . 19 1 1 A 62 62 HIS HA H 62 5.440 5.333 0.107 1
1 816 . 19 1 1 A 62 62 HIS C C 62 172.301 173.717 -1.416 1
1 817 . 19 1 1 A 62 62 HIS CA C 62 54.580 54.308 0.272 1
1 818 . 19 1 1 A 62 62 HIS CB C 62 33.980 31.493 2.487 1
1 821 . 19 1 1 A 62 62 HIS N N 62 119.183 122.174 -2.991 1
1 823 . 19 1 1 A 63 63 CYS H H 63 9.389 8.152 1.237 1
1 824 . 19 1 1 A 63 63 CYS HA H 63 5.021 4.693 0.328 1
1 827 . 19 1 1 A 63 63 CYS C C 63 177.649 175.407 2.242 1
1 828 . 19 1 1 A 63 63 CYS CA C 63 56.460 57.104 -0.644 1
1 829 . 19 1 1 A 63 63 CYS CB C 63 29.400 30.474 -1.074 1
1 830 . 19 1 1 A 63 63 CYS N N 63 120.896 120.210 0.686 1
1 831 . 19 1 1 A 64 64 ARG H H 64 8.658 8.868 -0.210 1
1 832 . 19 1 1 A 64 64 ARG HA H 64 4.425 3.801 0.624 1
1 839 . 19 1 1 A 64 64 ARG C C 64 174.724 177.606 -2.882 1
1 840 . 19 1 1 A 64 64 ARG CA C 64 59.000 59.278 -0.278 1
1 841 . 19 1 1 A 64 64 ARG CB C 64 30.820 29.858 0.962 1
1 844 . 19 1 1 A 64 64 ARG N N 64 130.651 126.479 4.172 1
1 845 . 19 1 1 A 65 65 ALA H H 65 8.166 7.502 0.664 1
1 846 . 19 1 1 A 65 65 ALA HA H 65 5.399 4.511 0.888 1
1 850 . 19 1 1 A 65 65 ALA C C 65 177.909 177.700 0.209 1
1 851 . 19 1 1 A 65 65 ALA CA C 65 52.020 53.369 -1.349 1
1 852 . 19 1 1 A 65 65 ALA CB C 65 20.270 21.515 -1.245 1
1 853 . 19 1 1 A 65 65 ALA N N 65 118.548 119.236 -0.688 1
1 854 . 19 1 1 A 66 66 GLY H H 66 9.300 7.090 2.210 1
1 855 . 19 1 1 A 66 66 GLY HA2 H 66 4.872 4.075 0.797 1
1 856 . 19 1 1 A 66 66 GLY HA3 H 66 4.450 4.093 0.357 1
1 857 . 19 1 1 A 66 66 GLY C C 66 176.761 174.823 1.938 1
1 858 . 19 1 1 A 66 66 GLY CA C 66 46.630 45.651 0.979 1
1 859 . 19 1 1 A 66 66 GLY N N 66 114.644 105.272 9.372 1
1 860 . 19 1 1 A 67 67 ARG H H 67 8.118 8.073 0.045 1
1 861 . 19 1 1 A 67 67 ARG HA H 67 4.141 4.058 0.083 1
1 871 . 19 1 1 A 67 67 ARG C C 67 178.691 178.890 -0.199 1
1 872 . 19 1 1 A 67 67 ARG CA C 67 60.930 58.784 2.146 1
1 873 . 19 1 1 A 67 67 ARG CB C 67 31.240 29.762 1.478 1
1 876 . 19 1 1 A 67 67 ARG N N 67 121.922 121.811 0.111 1
1 879 . 19 1 1 A 68 68 ARG H H 68 9.366 7.683 1.683 1
1 880 . 19 1 1 A 68 68 ARG HA H 68 4.282 4.031 0.251 1
1 887 . 19 1 1 A 68 68 ARG C C 68 178.681 179.108 -0.427 1
1 888 . 19 1 1 A 68 68 ARG CA C 68 59.410 58.944 0.466 1
1 889 . 19 1 1 A 68 68 ARG CB C 68 30.760 29.606 1.154 1
1 892 . 19 1 1 A 68 68 ARG N N 68 123.821 119.042 4.779 1
1 893 . 19 1 1 A 69 69 ALA H H 69 10.112 8.117 1.995 1
1 894 . 19 1 1 A 69 69 ALA HA H 69 3.800 4.101 -0.301 1
1 898 . 19 1 1 A 69 69 ALA C C 69 178.334 179.670 -1.336 1
1 899 . 19 1 1 A 69 69 ALA CA C 69 55.960 55.233 0.727 1
1 900 . 19 1 1 A 69 69 ALA CB C 69 17.730 18.777 -1.047 1
1 901 . 19 1 1 A 69 69 ALA N N 69 125.465 122.172 3.293 1
1 902 . 19 1 1 A 70 70 LEU H H 70 7.746 7.663 0.083 1
1 903 . 19 1 1 A 70 70 LEU HA H 70 3.340 3.052 0.288 1
1 913 . 19 1 1 A 70 70 LEU C C 70 177.996 177.709 0.287 1
1 914 . 19 1 1 A 70 70 LEU CA C 70 57.950 57.766 0.184 1
1 915 . 19 1 1 A 70 70 LEU CB C 70 40.720 41.646 -0.926 1
1 919 . 19 1 1 A 70 70 LEU N N 70 118.427 119.439 -1.012 1
1 920 . 19 1 1 A 71 71 ASP H H 71 7.662 8.354 -0.692 1
1 921 . 19 1 1 A 71 71 ASP HA H 71 4.236 4.134 0.102 1
1 924 . 19 1 1 A 71 71 ASP C C 71 179.560 178.078 1.482 1
1 925 . 19 1 1 A 71 71 ASP CA C 71 57.880 57.825 0.055 1
1 926 . 19 1 1 A 71 71 ASP CB C 71 40.340 41.852 -1.512 1
1 927 . 19 1 1 A 71 71 ASP N N 71 120.180 118.686 1.494 1
1 928 . 19 1 1 A 72 72 ALA H H 72 8.796 7.725 1.071 1
1 929 . 19 1 1 A 72 72 ALA HA H 72 4.101 4.062 0.039 1
1 933 . 19 1 1 A 72 72 ALA C C 72 179.203 179.619 -0.416 1
1 934 . 19 1 1 A 72 72 ALA CA C 72 54.670 55.067 -0.397 1
1 935 . 19 1 1 A 72 72 ALA CB C 72 18.490 18.206 0.284 1
1 936 . 19 1 1 A 72 72 ALA N N 72 122.299 120.567 1.732 1
1 937 . 19 1 1 A 73 73 ALA H H 73 8.672 7.743 0.929 1
1 938 . 19 1 1 A 73 73 ALA HA H 73 3.758 4.090 -0.332 1
1 942 . 19 1 1 A 73 73 ALA C C 73 179.251 179.775 -0.524 1
1 943 . 19 1 1 A 73 73 ALA CA C 73 55.950 55.004 0.946 1
1 944 . 19 1 1 A 73 73 ALA CB C 73 17.660 18.218 -0.558 1
1 945 . 19 1 1 A 73 73 ALA N N 73 121.294 120.072 1.222 1
1 946 . 19 1 1 A 74 74 LYS H H 74 8.914 7.982 0.932 1
1 947 . 19 1 1 A 74 74 LYS HA H 74 3.790 3.897 -0.107 1
1 956 . 19 1 1 A 74 74 LYS C C 74 179.589 179.627 -0.038 1
1 957 . 19 1 1 A 74 74 LYS CA C 74 60.620 59.311 1.309 1
1 958 . 19 1 1 A 74 74 LYS CB C 74 32.330 32.308 0.022 1
1 962 . 19 1 1 A 74 74 LYS N N 74 119.404 118.039 1.365 1
1 963 . 19 1 1 A 75 75 SER H H 75 7.874 7.912 -0.038 1
1 964 . 19 1 1 A 75 75 SER HA H 75 4.272 4.097 0.175 1
1 967 . 19 1 1 A 75 75 SER C C 75 176.944 176.939 0.005 1
1 968 . 19 1 1 A 75 75 SER CA C 75 61.840 61.824 0.016 1
1 969 . 19 1 1 A 75 75 SER CB C 75 62.990 62.692 0.298 1
1 970 . 19 1 1 A 75 75 SER N N 75 114.306 115.838 -1.532 1
1 971 . 19 1 1 A 76 76 MET H H 76 8.401 7.815 0.586 1
1 972 . 19 1 1 A 76 76 MET HA H 76 4.881 4.434 0.447 1
1 980 . 19 1 1 A 76 76 MET C C 76 179.811 178.878 0.933 1
1 981 . 19 1 1 A 76 76 MET CA C 76 56.060 58.158 -2.098 1
1 982 . 19 1 1 A 76 76 MET CB C 76 34.780 32.357 2.423 1
1 985 . 19 1 1 A 76 76 MET N N 76 119.510 119.658 -0.148 1
1 986 . 19 1 1 A 77 77 HIS H H 77 9.450 8.130 1.320 1
1 987 . 19 1 1 A 77 77 HIS HA H 77 5.148 4.671 0.477 1
1 992 . 19 1 1 A 77 77 HIS C C 77 181.596 177.893 3.703 1
1 993 . 19 1 1 A 77 77 HIS CA C 77 59.550 59.347 0.203 1
1 994 . 19 1 1 A 77 77 HIS CB C 77 30.720 29.725 0.995 1
1 997 . 19 1 1 A 77 77 HIS N N 77 123.245 117.879 5.366 1
1 998 . 19 1 1 A 78 78 GLU H H 78 7.832 7.855 -0.023 1
1 999 . 19 1 1 A 78 78 GLU HA H 78 4.159 4.094 0.065 1
1 1004 . 19 1 1 A 78 78 GLU C C 78 177.909 179.364 -1.455 1
1 1005 . 19 1 1 A 78 78 GLU CA C 78 59.110 59.103 0.007 1
1 1006 . 19 1 1 A 78 78 GLU CB C 78 29.380 29.074 0.306 1
1 1008 . 19 1 1 A 78 78 GLU N N 78 121.124 120.378 0.746 1
1 1009 . 19 1 1 A 79 79 LEU H H 79 7.161 7.511 -0.350 1
1 1010 . 19 1 1 A 79 79 LEU HA H 79 4.360 4.065 0.295 1
1 1020 . 19 1 1 A 79 79 LEU C C 79 176.934 176.520 0.414 1
1 1021 . 19 1 1 A 79 79 LEU CA C 79 54.820 55.906 -1.086 1
1 1022 . 19 1 1 A 79 79 LEU CB C 79 43.300 43.023 0.277 1
1 1026 . 19 1 1 A 79 79 LEU N N 79 116.655 118.198 -1.543 1
1 1027 . 19 1 1 A 80 80 GLY H H 80 7.545 7.520 0.025 1
1 1028 . 19 1 1 A 80 80 GLY HA2 H 80 4.101 3.805 0.296 1
1 1029 . 19 1 1 A 80 80 GLY HA3 H 80 3.580 3.906 -0.326 1
1 1030 . 19 1 1 A 80 80 GLY C C 80 174.116 174.375 -0.259 1
1 1031 . 19 1 1 A 80 80 GLY CA C 80 45.010 45.066 -0.056 1
1 1032 . 19 1 1 A 80 80 GLY N N 80 105.216 105.143 0.073 1
1 1033 . 19 1 1 A 81 81 TYR H H 81 7.519 7.502 0.017 1
1 1034 . 19 1 1 A 81 81 TYR HA H 81 4.727 4.476 0.251 1
1 1041 . 19 1 1 A 81 81 TYR C C 81 174.377 175.123 -0.746 1
1 1042 . 19 1 1 A 81 81 TYR CA C 81 56.960 58.163 -1.203 1
1 1043 . 19 1 1 A 81 81 TYR CB C 81 40.310 39.042 1.268 1
1 1046 . 19 1 1 A 81 81 TYR N N 81 119.660 120.157 -0.497 1
1 1047 . 19 1 1 A 82 82 THR H H 82 8.786 8.685 0.101 1
1 1048 . 19 1 1 A 82 82 THR HA H 82 3.390 3.605 -0.215 1
1 1053 . 19 1 1 A 82 82 THR CA C 82 57.030 58.161 -1.131 1
1 1054 . 19 1 1 A 82 82 THR CB C 82 68.740 68.730 0.010 1
1 1056 . 19 1 1 A 82 82 THR N N 82 105.368 113.633 -8.265 1
1 1057 . 19 1 1 A 83 83 PRO HA H 83 5.003 4.673 0.330 1
1 1064 . 19 1 1 A 83 83 PRO C C 83 175.699 176.316 -0.617 1
1 1065 . 19 1 1 A 83 83 PRO CA C 83 63.140 62.430 0.710 1
1 1066 . 19 1 1 A 83 83 PRO CB C 83 31.570 32.209 -0.639 1
1 1069 . 19 1 1 A 84 84 TYR H H 84 9.497 8.565 0.932 1
1 1070 . 19 1 1 A 84 84 TYR HA H 84 5.482 5.134 0.348 1
1 1077 . 19 1 1 A 84 84 TYR C C 84 175.506 175.322 0.184 1
1 1078 . 19 1 1 A 84 84 TYR CA C 84 57.570 57.722 -0.152 1
1 1079 . 19 1 1 A 84 84 TYR CB C 84 40.500 39.754 0.746 1
1 1082 . 19 1 1 A 84 84 TYR N N 84 119.880 120.327 -0.447 1
1 1083 . 19 1 1 A 85 85 TYR H H 85 8.570 8.349 0.221 1
1 1084 . 19 1 1 A 85 85 TYR HA H 85 5.730 5.432 0.298 1
1 1089 . 19 1 1 A 85 85 TYR C C 85 172.215 172.265 -0.050 1
1 1090 . 19 1 1 A 85 85 TYR CA C 85 55.240 55.962 -0.722 1
1 1091 . 19 1 1 A 85 85 TYR CB C 85 40.830 41.565 -0.735 1
1 1093 . 19 1 1 A 85 85 TYR N N 85 116.764 118.167 -1.403 1
1 1094 . 19 1 1 A 86 86 LEU H H 86 8.196 9.139 -0.943 1
1 1095 . 19 1 1 A 86 86 LEU HA H 86 4.881 5.091 -0.210 1
1 1105 . 19 1 1 A 86 86 LEU C C 86 177.552 174.789 2.763 1
1 1106 . 19 1 1 A 86 86 LEU CA C 86 53.376 53.910 -0.534 1
1 1107 . 19 1 1 A 86 86 LEU CB C 86 44.360 43.891 0.469 1
1 1111 . 19 1 1 A 86 86 LEU N N 86 121.589 124.404 -2.815 1
1 1112 . 19 1 1 A 87 87 GLU H H 87 9.146 8.548 0.598 1
1 1113 . 19 1 1 A 87 87 GLU HA H 87 4.797 4.955 -0.158 1
1 1118 . 19 1 1 A 87 87 GLU C C 87 174.965 176.714 -1.749 1
1 1119 . 19 1 1 A 87 87 GLU CA C 87 55.405 55.671 -0.266 1
1 1120 . 19 1 1 A 87 87 GLU CB C 87 30.010 30.145 -0.135 1
1 1122 . 19 1 1 A 87 87 GLU N N 87 128.779 127.008 1.771 1
1 1123 . 19 1 1 A 88 88 GLY H H 88 7.349 8.194 -0.845 1
1 1124 . 19 1 1 A 88 88 GLY HA2 H 88 4.110 4.255 -0.145 1
1 1125 . 19 1 1 A 88 88 GLY HA3 H 88 4.023 4.330 -0.307 1
1 1126 . 19 1 1 A 88 88 GLY C C 88 170.593 172.044 -1.451 1
1 1127 . 19 1 1 A 88 88 GLY CA C 88 44.970 46.029 -1.059 1
1 1128 . 19 1 1 A 88 88 GLY N N 88 112.564 110.911 1.653 1
1 1129 . 19 1 1 A 89 89 ASN H H 89 8.756 8.602 0.154 1
1 1130 . 19 1 1 A 89 89 ASN HA H 89 5.722 5.183 0.539 1
1 1135 . 19 1 1 A 89 89 ASN C C 89 176.336 176.062 0.274 1
1 1136 . 19 1 1 A 89 89 ASN CA C 89 52.210 54.131 -1.921 1
1 1137 . 19 1 1 A 89 89 ASN CB C 89 40.950 38.470 2.480 1
1 1138 . 19 1 1 A 89 89 ASN N N 89 121.363 119.922 1.441 1
1 1140 . 19 1 1 A 90 90 VAL H H 90 8.928 8.472 0.456 1
1 1141 . 19 1 1 A 90 90 VAL HA H 90 4.425 2.093 2.332 1
1 1149 . 19 1 1 A 90 90 VAL C C 90 175.660 176.519 -0.859 1
1 1150 . 19 1 1 A 90 90 VAL CA C 90 58.930 63.805 -4.875 1
1 1151 . 19 1 1 A 90 90 VAL CB C 90 30.860 31.202 -0.342 1
1 1154 . 19 1 1 A 90 90 VAL N N 90 128.990 125.536 3.454 1
1 1155 . 19 1 1 A 91 91 TYR H H 91 8.330 7.253 1.077 1
1 1156 . 19 1 1 A 91 91 TYR HA H 91 4.016 4.716 -0.700 1
1 1163 . 19 1 1 A 91 91 TYR C C 91 175.718 177.306 -1.588 1
1 1164 . 19 1 1 A 91 91 TYR CA C 91 61.700 61.945 -0.245 1
1 1165 . 19 1 1 A 91 91 TYR CB C 91 36.580 38.174 -1.594 1
1 1168 . 19 1 1 A 91 91 TYR N N 91 119.510 118.629 0.881 1
1 1169 . 19 1 1 A 92 92 ASP H H 92 8.654 8.050 0.604 1
1 1170 . 19 1 1 A 92 92 ASP HA H 92 5.146 4.838 0.308 1
1 1173 . 19 1 1 A 92 92 ASP C C 92 177.224 178.546 -1.322 1
1 1174 . 19 1 1 A 92 92 ASP CA C 92 54.290 55.590 -1.300 1
1 1175 . 19 1 1 A 92 92 ASP CB C 92 42.670 41.072 1.598 1
1 1176 . 19 1 1 A 92 92 ASP N N 92 117.541 121.307 -3.766 1
1 1177 . 19 1 1 A 93 93 PHE H H 93 7.673 7.814 -0.141 1
1 1178 . 19 1 1 A 93 93 PHE HA H 93 4.688 4.633 0.055 1
1 1186 . 19 1 1 A 93 93 PHE C C 93 179.270 178.539 0.731 1
1 1187 . 19 1 1 A 93 93 PHE CA C 93 60.340 61.992 -1.652 1
1 1188 . 19 1 1 A 93 93 PHE CB C 93 36.010 38.725 -2.715 1
1 1192 . 19 1 1 A 93 93 PHE N N 93 123.205 117.933 5.272 1
1 1193 . 19 1 1 A 94 94 GLU H H 94 9.164 8.565 0.599 1
1 1194 . 19 1 1 A 94 94 GLU HA H 94 4.676 4.304 0.372 1
1 1199 . 19 1 1 A 94 94 GLU C C 94 180.805 179.215 1.590 1
1 1200 . 19 1 1 A 94 94 GLU CA C 94 59.240 59.916 -0.676 1
1 1201 . 19 1 1 A 94 94 GLU CB C 94 29.640 29.170 0.470 1
1 1203 . 19 1 1 A 94 94 GLU N N 94 118.657 118.182 0.475 1
1 1204 . 19 1 1 A 95 95 LYS H H 95 8.005 8.407 -0.402 1
1 1205 . 19 1 1 A 95 95 LYS HA H 95 4.103 4.187 -0.084 1
1 1214 . 19 1 1 A 95 95 LYS C C 95 177.948 176.949 0.999 1
1 1215 . 19 1 1 A 95 95 LYS CA C 95 58.680 58.456 0.224 1
1 1216 . 19 1 1 A 95 95 LYS CB C 95 31.690 31.496 0.194 1
1 1220 . 19 1 1 A 95 95 LYS N N 95 121.494 119.467 2.027 1
1 1221 . 19 1 1 A 96 96 TYR H H 96 7.710 7.734 -0.024 1
1 1222 . 19 1 1 A 96 96 TYR HA H 96 4.332 4.591 -0.259 1
1 1229 . 19 1 1 A 96 96 TYR C C 96 174.550 175.585 -1.035 1
1 1230 . 19 1 1 A 96 96 TYR CA C 96 59.370 57.924 1.446 1
1 1231 . 19 1 1 A 96 96 TYR CB C 96 38.340 38.865 -0.525 1
1 1234 . 19 1 1 A 96 96 TYR N N 96 117.421 118.986 -1.565 1
1 1235 . 19 1 1 A 97 97 GLY H H 97 7.796 8.126 -0.330 1
1 1236 . 19 1 1 A 97 97 GLY HA2 H 97 3.966 3.688 0.278 1
1 1237 . 19 1 1 A 97 97 GLY HA3 H 97 3.580 3.848 -0.268 1
1 1238 . 19 1 1 A 97 97 GLY C C 97 173.662 173.939 -0.277 1
1 1239 . 19 1 1 A 97 97 GLY CA C 97 45.160 45.616 -0.456 1
1 1240 . 19 1 1 A 97 97 GLY N N 97 105.806 108.449 -2.643 1
1 1241 . 19 1 1 A 98 98 PHE H H 98 7.323 7.829 -0.506 1
1 1242 . 19 1 1 A 98 98 PHE HA H 98 4.644 4.967 -0.323 1
1 1250 . 19 1 1 A 98 98 PHE C C 98 173.353 175.469 -2.116 1
1 1251 . 19 1 1 A 98 98 PHE CA C 98 57.490 56.717 0.773 1
1 1252 . 19 1 1 A 98 98 PHE CB C 98 38.550 40.420 -1.870 1
1 1256 . 19 1 1 A 98 98 PHE N N 98 120.718 118.375 2.343 1
1 1257 . 19 1 1 A 99 99 ARG H H 99 7.903 8.685 -0.782 1
1 1258 . 19 1 1 A 99 99 ARG HA H 99 4.283 4.336 -0.053 1
1 1265 . 19 1 1 A 99 99 ARG C C 99 175.680 176.168 -0.488 1
1 1266 . 19 1 1 A 99 99 ARG CA C 99 56.320 56.328 -0.008 1
1 1267 . 19 1 1 A 99 99 ARG CB C 99 30.610 30.592 0.018 1
1 1270 . 19 1 1 A 99 99 ARG N N 99 122.817 123.941 -1.124 1
1 1271 . 19 1 1 A 100 100 MET H H 100 8.133 8.628 -0.495 1
1 1272 . 19 1 1 A 100 100 MET HA H 100 4.843 4.990 -0.147 1
1 1280 . 19 1 1 A 100 100 MET C C 100 175.255 173.870 1.385 1
1 1281 . 19 1 1 A 100 100 MET CA C 100 52.343 54.049 -1.706 1
1 1282 . 19 1 1 A 100 100 MET CB C 100 34.410 37.466 -3.056 1
1 1285 . 19 1 1 A 100 100 MET N N 100 121.483 119.829 1.654 1
1 1286 . 19 1 1 A 101 101 VAL H H 101 8.471 8.530 -0.059 1
1 1287 . 19 1 1 A 101 101 VAL HA H 101 3.890 4.515 -0.625 1
1 1295 . 19 1 1 A 101 101 VAL C C 101 175.351 174.971 0.380 1
1 1296 . 19 1 1 A 101 101 VAL CA C 101 61.500 61.548 -0.048 1
1 1297 . 19 1 1 A 101 101 VAL CB C 101 31.730 32.355 -0.625 1
1 1300 . 19 1 1 A 101 101 VAL N N 101 119.940 120.748 -0.808 1
1 1301 . 19 1 1 A 102 102 TYR H H 102 8.612 8.887 -0.275 1
1 1302 . 19 1 1 A 102 102 TYR HA H 102 4.938 4.856 0.082 1
1 1309 . 19 1 1 A 102 102 TYR C C 102 175.892 176.217 -0.325 1
1 1310 . 19 1 1 A 102 102 TYR CA C 102 57.140 57.748 -0.608 1
1 1311 . 19 1 1 A 102 102 TYR CB C 102 40.990 39.908 1.082 1
1 1314 . 19 1 1 A 102 102 TYR N N 102 126.390 126.681 -0.291 1
1 1315 . 19 1 1 A 103 103 ASP H H 103 8.071 9.215 -1.144 1
1 1316 . 19 1 1 A 103 103 ASP HA H 103 4.621 4.339 0.282 1
1 1319 . 19 1 1 A 103 103 ASP C C 103 176.220 176.402 -0.182 1
1 1320 . 19 1 1 A 103 103 ASP CA C 103 55.050 54.677 0.373 1
1 1321 . 19 1 1 A 103 103 ASP CB C 103 40.220 39.291 0.929 1
1 1322 . 19 1 1 A 103 103 ASP N N 103 120.738 123.538 -2.800 1
1 1323 . 19 1 1 A 104 104 ASP H H 104 8.642 7.703 0.939 1
1 1324 . 19 1 1 A 104 104 ASP HA H 104 4.730 4.651 0.079 1
1 1327 . 19 1 1 A 104 104 ASP C C 104 176.095 176.440 -0.345 1
1 1328 . 19 1 1 A 104 104 ASP CA C 104 53.510 55.168 -1.658 1
1 1329 . 19 1 1 A 104 104 ASP CB C 104 41.060 41.050 0.010 1
1 1330 . 19 1 1 A 104 104 ASP N N 104 121.582 120.668 0.914 1
1 1331 . 19 1 1 A 105 105 THR H H 105 8.119 6.893 1.226 1
1 1332 . 19 1 1 A 105 105 THR HA H 105 4.389 4.277 0.112 1
1 1337 . 19 1 1 A 105 105 THR C C 105 173.508 175.530 -2.022 1
1 1338 . 19 1 1 A 105 105 THR CA C 105 61.580 62.539 -0.959 1
1 1339 . 19 1 1 A 105 105 THR CB C 105 69.840 69.486 0.354 1
1 1341 . 19 1 1 A 105 105 THR N N 105 113.632 113.952 -0.320 1
1 1342 . 19 1 1 A 106 106 CYS H H 106 8.013 8.590 -0.577 1
1 1343 . 19 1 1 A 106 106 CYS N N 106 129.098 123.896 5.202 1
1 1344 . 19 1 1 A 107 107 ASP HA H 107 4.606 4.841 -0.235 1
1 1347 . 19 1 1 A 107 107 ASP C C 107 176.075 175.352 0.723 1
1 1348 . 19 1 1 A 107 107 ASP CA C 107 54.790 53.327 1.463 1
1 1349 . 19 1 1 A 107 107 ASP CB C 107 40.990 42.884 -1.894 1
1 1350 . 19 1 1 A 108 108 LYS H H 108 8.216 8.843 -0.627 1
1 1351 . 19 1 1 A 108 108 LYS HA H 108 4.326 4.480 -0.154 1
1 1360 . 19 1 1 A 108 108 LYS C C 108 176.490 176.346 0.144 1
1 1361 . 19 1 1 A 108 108 LYS CA C 108 56.140 57.732 -1.592 1
1 1362 . 19 1 1 A 108 108 LYS CB C 108 32.910 34.448 -1.538 1
1 1366 . 19 1 1 A 108 108 LYS N N 108 121.982 120.146 1.836 1
1 1367 . 19 1 1 A 109 109 LYS H H 109 8.411 8.102 0.309 1
1 1368 . 19 1 1 A 109 109 LYS HA H 109 4.344 3.984 0.360 1
1 1377 . 19 1 1 A 109 109 LYS C C 109 175.583 176.363 -0.780 1
1 1378 . 19 1 1 A 109 109 LYS CA C 109 56.150 57.055 -0.905 1
1 1379 . 19 1 1 A 109 109 LYS CB C 109 33.050 30.987 2.063 1
1 1383 . 19 1 1 A 109 109 LYS N N 109 122.966 118.598 4.368 1
1 14 . 20 1 1 A 2 2 LEU H H 2 8.858 7.948 0.910 1
1 15 . 20 1 1 A 2 2 LEU HA H 2 4.010 3.767 0.243 1
1 25 . 20 1 1 A 2 2 LEU C C 2 179.512 178.648 0.864 1
1 26 . 20 1 1 A 2 2 LEU CA C 2 57.230 57.289 -0.059 1
1 27 . 20 1 1 A 2 2 LEU CB C 2 41.500 40.926 0.574 1
1 31 . 20 1 1 A 2 2 LEU N N 2 124.589 117.281 7.308 1
1 32 . 20 1 1 A 3 3 GLU H H 3 9.299 9.034 0.265 1
1 33 . 20 1 1 A 3 3 GLU HA H 3 4.234 4.662 -0.428 1
1 38 . 20 1 1 A 3 3 GLU C C 3 178.189 177.655 0.534 1
1 39 . 20 1 1 A 3 3 GLU CA C 3 59.930 58.370 1.560 1
1 40 . 20 1 1 A 3 3 GLU CB C 3 28.810 27.819 0.991 1
1 42 . 20 1 1 A 3 3 GLU N N 3 118.833 121.856 -3.023 1
1 43 . 20 1 1 A 4 4 ASP H H 4 8.188 8.159 0.029 1
1 44 . 20 1 1 A 4 4 ASP HA H 4 4.524 4.569 -0.045 1
1 47 . 20 1 1 A 4 4 ASP C C 4 176.722 177.843 -1.121 1
1 48 . 20 1 1 A 4 4 ASP CA C 4 56.240 56.771 -0.531 1
1 49 . 20 1 1 A 4 4 ASP CB C 4 39.910 40.870 -0.960 1
1 50 . 20 1 1 A 4 4 ASP N N 4 118.286 120.290 -2.004 1
1 51 . 20 1 1 A 5 5 TYR H H 5 8.336 7.846 0.490 1
1 52 . 20 1 1 A 5 5 TYR HA H 5 4.284 4.588 -0.304 1
1 59 . 20 1 1 A 5 5 TYR C C 5 172.456 175.754 -3.298 1
1 60 . 20 1 1 A 5 5 TYR CA C 5 58.770 59.123 -0.353 1
1 61 . 20 1 1 A 5 5 TYR CB C 5 37.820 37.420 0.400 1
1 64 . 20 1 1 A 5 5 TYR N N 5 119.641 116.727 2.914 1
1 65 . 20 1 1 A 6 6 ALA H H 6 6.748 7.287 -0.539 1
1 66 . 20 1 1 A 6 6 ALA HA H 6 3.470 3.288 0.182 1
1 70 . 20 1 1 A 6 6 ALA C C 6 178.122 176.492 1.630 1
1 71 . 20 1 1 A 6 6 ALA CA C 6 51.440 51.803 -0.363 1
1 72 . 20 1 1 A 6 6 ALA CB C 6 19.600 18.805 0.795 1
1 73 . 20 1 1 A 6 6 ALA N N 6 122.727 122.450 0.277 1
1 74 . 20 1 1 A 7 7 ILE H H 7 8.665 8.518 0.147 1
1 75 . 20 1 1 A 7 7 ILE HA H 7 4.303 4.669 -0.366 1
1 85 . 20 1 1 A 7 7 ILE C C 7 174.386 175.132 -0.746 1
1 86 . 20 1 1 A 7 7 ILE CA C 7 58.640 59.948 -1.308 1
1 87 . 20 1 1 A 7 7 ILE CB C 7 39.820 39.580 0.240 1
1 91 . 20 1 1 A 7 7 ILE N N 7 124.318 124.225 0.093 1
1 92 . 20 1 1 A 8 8 SER H H 8 8.884 8.956 -0.072 1
1 93 . 20 1 1 A 8 8 SER HA H 8 4.881 4.602 0.279 1
1 96 . 20 1 1 A 8 8 SER C C 8 176.268 175.475 0.793 1
1 97 . 20 1 1 A 8 8 SER CA C 8 57.157 57.806 -0.649 1
1 98 . 20 1 1 A 8 8 SER CB C 8 64.390 64.944 -0.554 1
1 99 . 20 1 1 A 8 8 SER N N 8 122.739 122.529 0.210 1
1 100 . 20 1 1 A 9 9 LEU H H 9 8.077 8.703 -0.626 1
1 101 . 20 1 1 A 9 9 LEU HA H 9 3.652 3.950 -0.298 1
1 111 . 20 1 1 A 9 9 LEU C C 9 175.322 178.475 -3.153 1
1 112 . 20 1 1 A 9 9 LEU CA C 9 57.190 57.731 -0.541 1
1 113 . 20 1 1 A 9 9 LEU CB C 9 42.290 41.754 0.536 1
1 117 . 20 1 1 A 9 9 LEU N N 9 126.321 128.022 -1.701 1
1 118 . 20 1 1 A 10 10 GLU H H 10 8.361 9.389 -1.028 1
1 119 . 20 1 1 A 10 10 GLU HA H 10 3.754 4.408 -0.654 1
1 124 . 20 1 1 A 10 10 GLU C C 10 176.452 177.265 -0.813 1
1 125 . 20 1 1 A 10 10 GLU CA C 10 58.470 58.194 0.276 1
1 126 . 20 1 1 A 10 10 GLU CB C 10 29.480 28.121 1.359 1
1 128 . 20 1 1 A 10 10 GLU N N 10 112.911 116.713 -3.802 1
1 129 . 20 1 1 A 11 11 GLU H H 11 7.284 8.058 -0.774 1
1 130 . 20 1 1 A 11 11 GLU HA H 11 4.531 4.532 -0.001 1
1 135 . 20 1 1 A 11 11 GLU C C 11 176.539 176.174 0.365 1
1 136 . 20 1 1 A 11 11 GLU CA C 11 55.240 56.121 -0.881 1
1 137 . 20 1 1 A 11 11 GLU CB C 11 32.160 30.851 1.309 1
1 139 . 20 1 1 A 11 11 GLU N N 11 114.276 115.707 -1.431 1
1 140 . 20 1 1 A 12 12 VAL H H 12 7.077 7.270 -0.193 1
1 141 . 20 1 1 A 12 12 VAL HA H 12 3.677 3.973 -0.296 1
1 149 . 20 1 1 A 12 12 VAL C C 12 173.900 174.637 -0.737 1
1 150 . 20 1 1 A 12 12 VAL CA C 12 62.510 62.038 0.472 1
1 151 . 20 1 1 A 12 12 VAL CB C 12 31.920 32.344 -0.424 1
1 154 . 20 1 1 A 12 12 VAL N N 12 121.932 121.189 0.743 1
1 155 . 20 1 1 A 13 13 ASN H H 13 7.996 8.588 -0.592 1
1 156 . 20 1 1 A 13 13 ASN HA H 13 4.840 5.202 -0.362 1
1 161 . 20 1 1 A 13 13 ASN C C 13 176.876 175.266 1.610 1
1 162 . 20 1 1 A 13 13 ASN CA C 13 52.168 51.605 0.563 1
1 163 . 20 1 1 A 13 13 ASN CB C 13 38.500 39.442 -0.942 1
1 164 . 20 1 1 A 13 13 ASN N N 13 121.232 125.525 -4.293 1
1 166 . 20 1 1 A 14 14 PHE H H 14 6.268 8.103 -1.835 1
1 167 . 20 1 1 A 14 14 PHE HA H 14 3.868 4.230 -0.362 1
1 175 . 20 1 1 A 14 14 PHE C C 14 176.423 177.987 -1.564 1
1 176 . 20 1 1 A 14 14 PHE CA C 14 62.520 60.992 1.528 1
1 177 . 20 1 1 A 14 14 PHE CB C 14 38.780 38.551 0.229 1
1 181 . 20 1 1 A 14 14 PHE N N 14 120.637 121.775 -1.138 1
1 182 . 20 1 1 A 15 15 ASN H H 15 8.184 8.227 -0.043 1
1 183 . 20 1 1 A 15 15 ASN HA H 15 4.602 4.616 -0.014 1
1 188 . 20 1 1 A 15 15 ASN C C 15 175.738 177.224 -1.486 1
1 189 . 20 1 1 A 15 15 ASN CA C 15 55.240 55.578 -0.338 1
1 190 . 20 1 1 A 15 15 ASN CB C 15 38.270 38.073 0.197 1
1 191 . 20 1 1 A 15 15 ASN N N 15 113.599 116.978 -3.379 1
1 193 . 20 1 1 A 16 16 ASP H H 16 7.680 7.498 0.182 1
1 194 . 20 1 1 A 16 16 ASP HA H 16 4.450 4.179 0.271 1
1 197 . 20 1 1 A 16 16 ASP C C 16 174.589 175.353 -0.764 1
1 198 . 20 1 1 A 16 16 ASP CA C 16 54.860 56.043 -1.183 1
1 199 . 20 1 1 A 16 16 ASP CB C 16 41.140 40.963 0.177 1
1 200 . 20 1 1 A 16 16 ASP N N 16 117.808 118.976 -1.168 1
1 201 . 20 1 1 A 17 17 PHE H H 17 7.648 7.339 0.309 1
1 202 . 20 1 1 A 17 17 PHE HA H 17 4.788 5.031 -0.243 1
1 210 . 20 1 1 A 17 17 PHE C C 17 175.516 175.769 -0.253 1
1 211 . 20 1 1 A 17 17 PHE CA C 17 56.790 56.788 0.002 1
1 212 . 20 1 1 A 17 17 PHE CB C 17 44.090 41.569 2.521 1
1 216 . 20 1 1 A 17 17 PHE N N 17 116.207 115.781 0.426 1
1 217 . 20 1 1 A 18 18 ILE H H 18 8.674 9.010 -0.336 1
1 218 . 20 1 1 A 18 18 ILE HA H 18 4.335 4.422 -0.087 1
1 228 . 20 1 1 A 18 18 ILE C C 18 175.612 175.993 -0.381 1
1 229 . 20 1 1 A 18 18 ILE CA C 18 60.930 61.607 -0.677 1
1 230 . 20 1 1 A 18 18 ILE CB C 18 37.620 37.294 0.326 1
1 234 . 20 1 1 A 18 18 ILE N N 18 121.498 123.293 -1.795 1
1 235 . 20 1 1 A 19 19 VAL H H 19 9.009 8.316 0.693 1
1 236 . 20 1 1 A 19 19 VAL HA H 19 4.760 4.735 0.025 1
1 244 . 20 1 1 A 19 19 VAL C C 19 175.622 175.260 0.362 1
1 245 . 20 1 1 A 19 19 VAL CA C 19 62.974 62.042 0.932 1
1 246 . 20 1 1 A 19 19 VAL CB C 19 32.770 32.359 0.411 1
1 249 . 20 1 1 A 19 19 VAL N N 19 129.378 128.749 0.629 1
1 250 . 20 1 1 A 20 20 VAL H H 20 9.606 8.813 0.793 1
1 251 . 20 1 1 A 20 20 VAL HA H 20 4.581 4.510 0.071 1
1 259 . 20 1 1 A 20 20 VAL C C 20 172.234 174.515 -2.281 1
1 260 . 20 1 1 A 20 20 VAL CA C 20 60.660 60.720 -0.060 1
1 261 . 20 1 1 A 20 20 VAL CB C 20 33.910 35.293 -1.383 1
1 264 . 20 1 1 A 20 20 VAL N N 20 131.965 126.300 5.665 1
1 265 . 20 1 1 A 21 21 ASP H H 21 8.367 8.761 -0.394 1
1 266 . 20 1 1 A 21 21 ASP HA H 21 4.105 4.387 -0.282 1
1 269 . 20 1 1 A 21 21 ASP C C 21 176.182 175.342 0.840 1
1 270 . 20 1 1 A 21 21 ASP CA C 21 50.850 53.074 -2.224 1
1 271 . 20 1 1 A 21 21 ASP CB C 21 43.460 41.024 2.436 1
1 272 . 20 1 1 A 21 21 ASP N N 21 129.516 127.713 1.803 1
1 273 . 20 1 1 A 22 22 VAL H H 22 8.095 8.080 0.015 1
1 274 . 20 1 1 A 22 22 VAL HA H 22 5.720 4.830 0.890 1
1 282 . 20 1 1 A 22 22 VAL C C 22 178.006 174.623 3.383 1
1 283 . 20 1 1 A 22 22 VAL CA C 22 58.990 61.450 -2.460 1
1 284 . 20 1 1 A 22 22 VAL CB C 22 30.150 31.030 -0.880 1
1 287 . 20 1 1 A 22 22 VAL N N 22 114.833 120.461 -5.628 1
1 288 . 20 1 1 A 23 23 ARG H H 23 7.467 7.891 -0.424 1
1 289 . 20 1 1 A 23 23 ARG HA H 23 4.358 4.580 -0.222 1
1 299 . 20 1 1 A 23 23 ARG C C 23 172.157 175.821 -3.664 1
1 300 . 20 1 1 A 23 23 ARG CA C 23 56.190 56.332 -0.142 1
1 301 . 20 1 1 A 23 23 ARG CB C 23 31.230 31.766 -0.536 1
1 304 . 20 1 1 A 23 23 ARG N N 23 120.418 124.672 -4.254 1
1 307 . 20 1 1 A 24 24 GLU H H 24 7.372 7.515 -0.143 1
1 308 . 20 1 1 A 24 24 GLU HA H 24 4.454 4.794 -0.340 1
1 313 . 20 1 1 A 24 24 GLU C C 24 178.807 176.444 2.363 1
1 314 . 20 1 1 A 24 24 GLU CA C 24 53.870 54.881 -1.011 1
1 315 . 20 1 1 A 24 24 GLU CB C 24 31.610 33.751 -2.141 1
1 317 . 20 1 1 A 24 24 GLU N N 24 111.001 116.554 -5.553 1
1 318 . 20 1 1 A 25 25 LEU H H 25 8.842 8.614 0.228 1
1 319 . 20 1 1 A 25 25 LEU HA H 25 3.922 3.991 -0.069 1
1 329 . 20 1 1 A 25 25 LEU C C 25 177.591 177.531 0.060 1
1 330 . 20 1 1 A 25 25 LEU CA C 25 58.800 58.181 0.619 1
1 331 . 20 1 1 A 25 25 LEU CB C 25 42.000 41.352 0.648 1
1 335 . 20 1 1 A 25 25 LEU N N 25 122.468 126.219 -3.751 1
1 336 . 20 1 1 A 26 26 ASP H H 26 8.671 8.177 0.494 1
1 337 . 20 1 1 A 26 26 ASP HA H 26 4.389 4.243 0.146 1
1 340 . 20 1 1 A 26 26 ASP C C 26 178.739 178.019 0.720 1
1 341 . 20 1 1 A 26 26 ASP CA C 26 56.540 57.738 -1.198 1
1 342 . 20 1 1 A 26 26 ASP CB C 26 39.570 41.826 -2.256 1
1 343 . 20 1 1 A 26 26 ASP N N 26 114.189 119.356 -5.167 1
1 344 . 20 1 1 A 27 27 GLU H H 27 7.235 8.400 -1.165 1
1 345 . 20 1 1 A 27 27 GLU HA H 27 4.304 4.052 0.252 1
1 350 . 20 1 1 A 27 27 GLU C C 27 177.678 178.349 -0.671 1
1 351 . 20 1 1 A 27 27 GLU CA C 27 58.830 59.223 -0.393 1
1 352 . 20 1 1 A 27 27 GLU CB C 27 30.650 28.931 1.719 1
1 354 . 20 1 1 A 27 27 GLU N N 27 120.618 117.755 2.863 1
1 355 . 20 1 1 A 28 28 TYR H H 28 7.703 7.914 -0.211 1
1 356 . 20 1 1 A 28 28 TYR HA H 28 4.149 3.765 0.384 1
1 363 . 20 1 1 A 28 28 TYR C C 28 177.108 177.914 -0.806 1
1 364 . 20 1 1 A 28 28 TYR CA C 28 60.600 61.308 -0.708 1
1 365 . 20 1 1 A 28 28 TYR CB C 28 39.300 38.773 0.527 1
1 370 . 20 1 1 A 28 28 TYR N N 28 121.871 121.609 0.262 1
1 371 . 20 1 1 A 29 29 GLU H H 29 8.727 8.092 0.635 1
1 372 . 20 1 1 A 29 29 GLU HA H 29 3.823 3.944 -0.121 1
1 377 . 20 1 1 A 29 29 GLU C C 29 177.456 178.812 -1.356 1
1 378 . 20 1 1 A 29 29 GLU CA C 29 58.770 59.838 -1.068 1
1 379 . 20 1 1 A 29 29 GLU CB C 29 29.880 29.474 0.406 1
1 381 . 20 1 1 A 29 29 GLU N N 29 116.326 118.250 -1.924 1
1 382 . 20 1 1 A 30 30 GLU H H 30 7.225 7.927 -0.702 1
1 383 . 20 1 1 A 30 30 GLU HA H 30 4.219 4.260 -0.041 1
1 388 . 20 1 1 A 30 30 GLU C C 30 177.012 176.502 0.510 1
1 389 . 20 1 1 A 30 30 GLU CA C 30 59.750 58.369 1.381 1
1 390 . 20 1 1 A 30 30 GLU CB C 30 29.310 29.764 -0.454 1
1 392 . 20 1 1 A 30 30 GLU N N 30 119.394 116.396 2.998 1
1 393 . 20 1 1 A 31 31 LEU H H 31 7.512 7.963 -0.451 1
1 394 . 20 1 1 A 31 31 LEU HA H 31 5.102 4.722 0.380 1
1 404 . 20 1 1 A 31 31 LEU C C 31 173.363 174.791 -1.428 1
1 405 . 20 1 1 A 31 31 LEU CA C 31 55.760 53.501 2.259 1
1 406 . 20 1 1 A 31 31 LEU CB C 31 42.880 44.031 -1.151 1
1 410 . 20 1 1 A 31 31 LEU N N 31 118.039 116.501 1.538 1
1 411 . 20 1 1 A 32 32 HIS H H 32 8.196 8.240 -0.044 1
1 412 . 20 1 1 A 32 32 HIS HA H 32 4.433 5.025 -0.592 1
1 417 . 20 1 1 A 32 32 HIS C C 32 171.973 171.714 0.259 1
1 418 . 20 1 1 A 32 32 HIS CA C 32 54.660 54.454 0.206 1
1 419 . 20 1 1 A 32 32 HIS CB C 32 31.500 31.760 -0.260 1
1 422 . 20 1 1 A 32 32 HIS N N 32 114.425 115.210 -0.785 1
1 423 . 20 1 1 A 33 33 LEU H H 33 10.099 8.728 1.371 1
1 424 . 20 1 1 A 33 33 LEU HA H 33 4.745 4.407 0.338 1
1 434 . 20 1 1 A 33 33 LEU CA C 33 53.423 52.365 1.058 1
1 435 . 20 1 1 A 33 33 LEU CB C 33 42.750 41.450 1.300 1
1 439 . 20 1 1 A 33 33 LEU N N 33 124.819 120.151 4.668 1
1 440 . 20 1 1 A 34 34 PRO HA H 34 4.328 4.378 -0.050 1
1 447 . 20 1 1 A 34 34 PRO C C 34 177.012 177.664 -0.652 1
1 448 . 20 1 1 A 34 34 PRO CA C 34 64.440 64.373 0.067 1
1 449 . 20 1 1 A 34 34 PRO CB C 34 31.660 31.788 -0.128 1
1 452 . 20 1 1 A 35 35 ASN H H 35 8.736 8.369 0.367 1
1 453 . 20 1 1 A 35 35 ASN HA H 35 4.701 4.908 -0.207 1
1 458 . 20 1 1 A 35 35 ASN C C 35 174.801 175.251 -0.450 1
1 459 . 20 1 1 A 35 35 ASN CA C 35 53.470 53.074 0.396 1
1 460 . 20 1 1 A 35 35 ASN CB C 35 37.650 38.890 -1.240 1
1 461 . 20 1 1 A 35 35 ASN N N 35 113.231 115.560 -2.329 1
1 463 . 20 1 1 A 36 36 ALA H H 36 7.434 7.310 0.124 1
1 464 . 20 1 1 A 36 36 ALA HA H 36 4.523 4.644 -0.121 1
1 468 . 20 1 1 A 36 36 ALA C C 36 177.494 176.781 0.713 1
1 469 . 20 1 1 A 36 36 ALA CA C 36 52.700 50.743 1.957 1
1 470 . 20 1 1 A 36 36 ALA CB C 36 21.760 20.588 1.172 1
1 471 . 20 1 1 A 36 36 ALA N N 36 122.419 123.034 -0.615 1
1 472 . 20 1 1 A 37 37 THR H H 37 8.334 8.936 -0.602 1
1 473 . 20 1 1 A 37 37 THR HA H 37 4.184 4.485 -0.301 1
1 479 . 20 1 1 A 37 37 THR C C 37 172.359 173.854 -1.495 1
1 480 . 20 1 1 A 37 37 THR CA C 37 63.020 62.991 0.029 1
1 481 . 20 1 1 A 37 37 THR CB C 37 69.800 69.073 0.727 1
1 483 . 20 1 1 A 37 37 THR N N 37 121.183 119.217 1.966 1
1 484 . 20 1 1 A 38 38 LEU H H 38 8.306 8.597 -0.291 1
1 485 . 20 1 1 A 38 38 LEU HA H 38 4.815 4.416 0.399 1
1 495 . 20 1 1 A 38 38 LEU C C 38 176.529 174.901 1.628 1
1 496 . 20 1 1 A 38 38 LEU CA C 38 53.873 54.902 -1.029 1
1 497 . 20 1 1 A 38 38 LEU CB C 38 41.830 42.062 -0.232 1
1 501 . 20 1 1 A 38 38 LEU N N 38 130.981 130.105 0.876 1
1 502 . 20 1 1 A 39 39 ILE H H 39 8.612 8.108 0.504 1
1 503 . 20 1 1 A 39 39 ILE HA H 39 3.779 4.575 -0.796 1
1 513 . 20 1 1 A 39 39 ILE C C 39 172.186 174.783 -2.597 1
1 514 . 20 1 1 A 39 39 ILE CA C 39 62.040 59.725 2.315 1
1 515 . 20 1 1 A 39 39 ILE CB C 39 40.360 42.252 -1.892 1
1 519 . 20 1 1 A 39 39 ILE N N 39 131.100 129.413 1.687 1
1 520 . 20 1 1 A 40 40 SER H H 40 8.123 8.921 -0.798 1
1 521 . 20 1 1 A 40 40 SER HA H 40 3.904 4.604 -0.700 1
1 524 . 20 1 1 A 40 40 SER C C 40 177.629 175.409 2.220 1
1 525 . 20 1 1 A 40 40 SER CA C 40 58.810 59.586 -0.776 1
1 526 . 20 1 1 A 40 40 SER CB C 40 63.090 63.215 -0.125 1
1 527 . 20 1 1 A 40 40 SER N N 40 118.068 122.570 -4.502 1
1 528 . 20 1 1 A 41 41 VAL H H 41 7.739 8.584 -0.845 1
1 529 . 20 1 1 A 41 41 VAL HA H 41 3.913 3.842 0.071 1
1 537 . 20 1 1 A 41 41 VAL C C 41 174.714 177.078 -2.364 1
1 538 . 20 1 1 A 41 41 VAL CA C 41 58.990 64.979 -5.989 1
1 539 . 20 1 1 A 41 41 VAL CB C 41 31.730 31.864 -0.134 1
1 542 . 20 1 1 A 41 41 VAL N N 41 124.290 127.268 -2.978 1
1 543 . 20 1 1 A 42 42 ASN H H 42 8.344 8.177 0.167 1
1 544 . 20 1 1 A 42 42 ASN HA H 42 4.630 4.509 0.121 1
1 549 . 20 1 1 A 42 42 ASN C C 42 175.699 175.324 0.375 1
1 550 . 20 1 1 A 42 42 ASN CA C 42 54.860 55.603 -0.743 1
1 551 . 20 1 1 A 42 42 ASN CB C 42 38.610 38.365 0.245 1
1 552 . 20 1 1 A 42 42 ASN N N 42 116.715 119.285 -2.570 1
1 554 . 20 1 1 A 43 43 ASP H H 43 8.417 7.515 0.902 1
1 555 . 20 1 1 A 43 43 ASP HA H 43 5.021 4.878 0.143 1
1 558 . 20 1 1 A 43 43 ASP C C 43 175.699 176.141 -0.442 1
1 559 . 20 1 1 A 43 43 ASP CA C 43 52.300 52.735 -0.435 1
1 560 . 20 1 1 A 43 43 ASP CB C 43 39.540 38.615 0.925 1
1 561 . 20 1 1 A 43 43 ASP N N 43 125.038 118.543 6.495 1
1 562 . 20 1 1 A 44 44 GLN H H 44 7.762 8.120 -0.358 1
1 563 . 20 1 1 A 44 44 GLN HA H 44 3.815 4.051 -0.236 1
1 570 . 20 1 1 A 44 44 GLN C C 44 178.430 177.851 0.579 1
1 571 . 20 1 1 A 44 44 GLN CA C 44 59.650 59.153 0.497 1
1 572 . 20 1 1 A 44 44 GLN CB C 44 28.760 28.260 0.500 1
1 574 . 20 1 1 A 44 44 GLN N N 44 119.490 123.269 -3.779 1
1 576 . 20 1 1 A 45 45 GLU H H 45 8.705 8.419 0.286 1
1 577 . 20 1 1 A 45 45 GLU HA H 45 4.059 4.064 -0.005 1
1 582 . 20 1 1 A 45 45 GLU C C 45 178.739 178.843 -0.104 1
1 583 . 20 1 1 A 45 45 GLU CA C 45 59.660 59.367 0.293 1
1 584 . 20 1 1 A 45 45 GLU CB C 45 28.900 29.339 -0.439 1
1 586 . 20 1 1 A 45 45 GLU N N 45 119.373 118.385 0.988 1
1 587 . 20 1 1 A 46 46 LYS H H 46 7.545 7.812 -0.267 1
1 588 . 20 1 1 A 46 46 LYS HA H 46 4.119 4.203 -0.084 1
1 597 . 20 1 1 A 46 46 LYS C C 46 179.579 178.668 0.911 1
1 598 . 20 1 1 A 46 46 LYS CA C 46 58.940 59.261 -0.321 1
1 599 . 20 1 1 A 46 46 LYS CB C 46 32.750 32.065 0.685 1
1 603 . 20 1 1 A 46 46 LYS N N 46 120.645 119.775 0.870 1
1 604 . 20 1 1 A 47 47 LEU H H 47 8.005 7.834 0.171 1
1 605 . 20 1 1 A 47 47 LEU HA H 47 4.059 4.078 -0.019 1
1 615 . 20 1 1 A 47 47 LEU C C 47 177.436 178.119 -0.683 1
1 616 . 20 1 1 A 47 47 LEU CA C 47 58.090 57.916 0.174 1
1 617 . 20 1 1 A 47 47 LEU CB C 47 41.150 41.624 -0.474 1
1 621 . 20 1 1 A 47 47 LEU N N 47 122.201 121.153 1.048 1
1 622 . 20 1 1 A 48 48 ALA H H 48 8.239 8.573 -0.334 1
1 623 . 20 1 1 A 48 48 ALA HA H 48 3.733 3.704 0.029 1
1 627 . 20 1 1 A 48 48 ALA C C 48 179.347 178.856 0.491 1
1 628 . 20 1 1 A 48 48 ALA CA C 48 55.420 55.197 0.223 1
1 629 . 20 1 1 A 48 48 ALA CB C 48 18.240 18.091 0.149 1
1 630 . 20 1 1 A 48 48 ALA N N 48 121.483 121.039 0.444 1
1 631 . 20 1 1 A 49 49 ASP H H 49 8.001 7.772 0.229 1
1 632 . 20 1 1 A 49 49 ASP HA H 49 4.308 4.288 0.020 1
1 635 . 20 1 1 A 49 49 ASP C C 49 179.106 178.192 0.914 1
1 636 . 20 1 1 A 49 49 ASP CA C 49 57.350 57.280 0.070 1
1 637 . 20 1 1 A 49 49 ASP CB C 49 41.250 41.813 -0.563 1
1 638 . 20 1 1 A 49 49 ASP N N 49 117.231 118.795 -1.564 1
1 639 . 20 1 1 A 50 50 PHE H H 50 8.265 8.096 0.169 1
1 640 . 20 1 1 A 50 50 PHE HA H 50 4.101 4.057 0.044 1
1 647 . 20 1 1 A 50 50 PHE C C 50 179.048 176.575 2.473 1
1 648 . 20 1 1 A 50 50 PHE CA C 50 62.590 61.339 1.251 1
1 649 . 20 1 1 A 50 50 PHE CB C 50 39.810 39.200 0.610 1
1 651 . 20 1 1 A 50 50 PHE N N 50 122.379 120.170 2.209 1
1 652 . 20 1 1 A 51 51 LEU H H 51 8.653 8.027 0.626 1
1 653 . 20 1 1 A 51 51 LEU HA H 51 3.789 3.809 -0.020 1
1 663 . 20 1 1 A 51 51 LEU C C 51 180.400 179.346 1.054 1
1 664 . 20 1 1 A 51 51 LEU CA C 51 58.140 57.429 0.711 1
1 665 . 20 1 1 A 51 51 LEU CB C 51 38.770 40.882 -2.112 1
1 669 . 20 1 1 A 51 51 LEU N N 51 120.277 119.600 0.677 1
1 670 . 20 1 1 A 52 52 SER H H 52 8.332 7.856 0.476 1
1 671 . 20 1 1 A 52 52 SER HA H 52 4.160 4.296 -0.136 1
1 674 . 20 1 1 A 52 52 SER C C 52 176.220 176.877 -0.657 1
1 675 . 20 1 1 A 52 52 SER CA C 52 61.840 60.886 0.954 1
1 676 . 20 1 1 A 52 52 SER CB C 52 62.850 63.121 -0.271 1
1 677 . 20 1 1 A 52 52 SER N N 52 115.630 114.346 1.284 1
1 678 . 20 1 1 A 53 53 GLN H H 53 7.405 8.032 -0.627 1
1 679 . 20 1 1 A 53 53 GLN HA H 53 4.092 3.980 0.112 1
1 686 . 20 1 1 A 53 53 GLN C C 53 176.046 176.011 0.035 1
1 687 . 20 1 1 A 53 53 GLN CA C 53 56.560 58.023 -1.463 1
1 688 . 20 1 1 A 53 53 GLN CB C 53 28.580 28.905 -0.325 1
1 690 . 20 1 1 A 53 53 GLN N N 53 119.056 120.686 -1.630 1
1 692 . 20 1 1 A 54 54 HIS H H 54 7.311 7.620 -0.309 1
1 693 . 20 1 1 A 54 54 HIS HA H 54 4.754 4.593 0.161 1
1 696 . 20 1 1 A 54 54 HIS C C 54 175.467 175.765 -0.298 1
1 697 . 20 1 1 A 54 54 HIS CA C 54 55.562 56.881 -1.319 1
1 698 . 20 1 1 A 54 54 HIS CB C 54 29.650 31.282 -1.632 1
1 699 . 20 1 1 A 54 54 HIS N N 54 117.800 115.153 2.647 1
1 700 . 20 1 1 A 55 55 LYS H H 55 7.646 7.781 -0.135 1
1 701 . 20 1 1 A 55 55 LYS HA H 55 4.296 4.016 0.280 1
1 710 . 20 1 1 A 55 55 LYS C C 55 176.741 175.058 1.683 1
1 711 . 20 1 1 A 55 55 LYS CA C 55 58.710 58.667 0.043 1
1 712 . 20 1 1 A 55 55 LYS CB C 55 32.370 30.324 2.046 1
1 716 . 20 1 1 A 55 55 LYS N N 55 119.903 116.057 3.846 1
1 717 . 20 1 1 A 56 56 ASP H H 56 8.853 8.093 0.760 1
1 718 . 20 1 1 A 56 56 ASP HA H 56 4.655 4.776 -0.121 1
1 721 . 20 1 1 A 56 56 ASP C C 56 175.158 174.622 0.536 1
1 722 . 20 1 1 A 56 56 ASP CA C 56 53.930 53.244 0.686 1
1 723 . 20 1 1 A 56 56 ASP CB C 56 40.220 39.475 0.745 1
1 724 . 20 1 1 A 56 56 ASP N N 56 116.429 120.704 -4.275 1
1 725 . 20 1 1 A 57 57 LYS H H 57 7.655 8.066 -0.411 1
1 726 . 20 1 1 A 57 57 LYS HA H 57 4.701 5.058 -0.357 1
1 735 . 20 1 1 A 57 57 LYS C C 57 175.236 174.091 1.145 1
1 736 . 20 1 1 A 57 57 LYS CA C 57 53.830 54.995 -1.165 1
1 737 . 20 1 1 A 57 57 LYS CB C 57 35.550 36.237 -0.687 1
1 741 . 20 1 1 A 57 57 LYS N N 57 119.510 121.202 -1.692 1
1 742 . 20 1 1 A 58 58 LYS H H 58 8.265 8.789 -0.524 1
1 743 . 20 1 1 A 58 58 LYS HA H 58 4.745 5.108 -0.363 1
1 752 . 20 1 1 A 58 58 LYS C C 58 175.651 175.660 -0.009 1
1 753 . 20 1 1 A 58 58 LYS CA C 58 56.870 55.217 1.653 1
1 754 . 20 1 1 A 58 58 LYS CB C 58 33.250 34.159 -0.909 1
1 758 . 20 1 1 A 58 58 LYS N N 58 120.091 123.081 -2.990 1
1 759 . 20 1 1 A 59 59 VAL H H 59 9.233 9.290 -0.057 1
1 760 . 20 1 1 A 59 59 VAL HA H 59 5.231 5.420 -0.189 1
1 768 . 20 1 1 A 59 59 VAL C C 59 173.556 174.040 -0.484 1
1 769 . 20 1 1 A 59 59 VAL CA C 59 60.930 61.180 -0.250 1
1 770 . 20 1 1 A 59 59 VAL CB C 59 34.300 34.737 -0.437 1
1 772 . 20 1 1 A 59 59 VAL N N 59 127.047 127.238 -0.191 1
1 773 . 20 1 1 A 60 60 LEU H H 60 9.228 9.022 0.206 1
1 774 . 20 1 1 A 60 60 LEU HA H 60 4.815 5.203 -0.388 1
1 784 . 20 1 1 A 60 60 LEU C C 60 173.421 174.987 -1.566 1
1 785 . 20 1 1 A 60 60 LEU CA C 60 52.586 53.455 -0.869 1
1 786 . 20 1 1 A 60 60 LEU CB C 60 45.660 45.015 0.645 1
1 790 . 20 1 1 A 60 60 LEU N N 60 129.197 129.954 -0.757 1
1 791 . 20 1 1 A 61 61 LEU H H 61 9.055 9.207 -0.152 1
1 792 . 20 1 1 A 61 61 LEU HA H 61 5.713 4.904 0.809 1
1 802 . 20 1 1 A 61 61 LEU C C 61 176.683 176.740 -0.057 1
1 803 . 20 1 1 A 61 61 LEU CA C 61 52.760 54.013 -1.253 1
1 804 . 20 1 1 A 61 61 LEU CB C 61 43.220 41.234 1.986 1
1 808 . 20 1 1 A 61 61 LEU N N 61 125.903 128.927 -3.024 1
1 809 . 20 1 1 A 62 62 HIS H H 62 9.148 8.914 0.234 1
1 810 . 20 1 1 A 62 62 HIS HA H 62 5.440 5.386 0.054 1
1 816 . 20 1 1 A 62 62 HIS C C 62 172.301 174.017 -1.716 1
1 817 . 20 1 1 A 62 62 HIS CA C 62 54.580 54.310 0.270 1
1 818 . 20 1 1 A 62 62 HIS CB C 62 33.980 31.776 2.204 1
1 821 . 20 1 1 A 62 62 HIS N N 62 119.183 122.088 -2.905 1
1 823 . 20 1 1 A 63 63 CYS H H 63 9.389 8.244 1.145 1
1 824 . 20 1 1 A 63 63 CYS HA H 63 5.021 4.759 0.262 1
1 827 . 20 1 1 A 63 63 CYS C C 63 177.649 175.165 2.484 1
1 828 . 20 1 1 A 63 63 CYS CA C 63 56.460 57.535 -1.075 1
1 829 . 20 1 1 A 63 63 CYS CB C 63 29.400 30.838 -1.438 1
1 830 . 20 1 1 A 63 63 CYS N N 63 120.896 118.054 2.842 1
1 831 . 20 1 1 A 64 64 ARG H H 64 8.658 8.778 -0.120 1
1 832 . 20 1 1 A 64 64 ARG HA H 64 4.425 3.898 0.527 1
1 839 . 20 1 1 A 64 64 ARG C C 64 174.724 177.257 -2.533 1
1 840 . 20 1 1 A 64 64 ARG CA C 64 59.000 58.821 0.179 1
1 841 . 20 1 1 A 64 64 ARG CB C 64 30.820 30.152 0.668 1
1 844 . 20 1 1 A 64 64 ARG N N 64 130.651 126.484 4.167 1
1 845 . 20 1 1 A 65 65 ALA H H 65 8.166 7.364 0.802 1
1 846 . 20 1 1 A 65 65 ALA HA H 65 5.399 4.637 0.762 1
1 850 . 20 1 1 A 65 65 ALA C C 65 177.909 177.356 0.553 1
1 851 . 20 1 1 A 65 65 ALA CA C 65 52.020 53.241 -1.221 1
1 852 . 20 1 1 A 65 65 ALA CB C 65 20.270 21.724 -1.454 1
1 853 . 20 1 1 A 65 65 ALA N N 65 118.548 118.807 -0.259 1
1 854 . 20 1 1 A 66 66 GLY H H 66 9.300 7.864 1.436 1
1 855 . 20 1 1 A 66 66 GLY HA2 H 66 4.872 4.063 0.809 1
1 856 . 20 1 1 A 66 66 GLY HA3 H 66 4.450 4.072 0.378 1
1 857 . 20 1 1 A 66 66 GLY C C 66 176.761 174.845 1.916 1
1 858 . 20 1 1 A 66 66 GLY CA C 66 46.630 45.525 1.105 1
1 859 . 20 1 1 A 66 66 GLY N N 66 114.644 106.698 7.946 1
1 860 . 20 1 1 A 67 67 ARG H H 67 8.118 8.067 0.051 1
1 861 . 20 1 1 A 67 67 ARG HA H 67 4.141 4.003 0.138 1
1 871 . 20 1 1 A 67 67 ARG C C 67 178.691 178.500 0.191 1
1 872 . 20 1 1 A 67 67 ARG CA C 67 60.930 58.826 2.104 1
1 873 . 20 1 1 A 67 67 ARG CB C 67 31.240 29.914 1.326 1
1 876 . 20 1 1 A 67 67 ARG N N 67 121.922 122.017 -0.095 1
1 879 . 20 1 1 A 68 68 ARG H H 68 9.366 8.011 1.355 1
1 880 . 20 1 1 A 68 68 ARG HA H 68 4.282 4.012 0.270 1
1 887 . 20 1 1 A 68 68 ARG C C 68 178.681 179.053 -0.372 1
1 888 . 20 1 1 A 68 68 ARG CA C 68 59.410 58.860 0.550 1
1 889 . 20 1 1 A 68 68 ARG CB C 68 30.760 29.672 1.088 1
1 892 . 20 1 1 A 68 68 ARG N N 68 123.821 119.069 4.752 1
1 893 . 20 1 1 A 69 69 ALA H H 69 10.112 8.121 1.991 1
1 894 . 20 1 1 A 69 69 ALA HA H 69 3.800 4.085 -0.285 1
1 898 . 20 1 1 A 69 69 ALA C C 69 178.334 179.782 -1.448 1
1 899 . 20 1 1 A 69 69 ALA CA C 69 55.960 55.218 0.742 1
1 900 . 20 1 1 A 69 69 ALA CB C 69 17.730 18.752 -1.022 1
1 901 . 20 1 1 A 69 69 ALA N N 69 125.465 122.077 3.388 1
1 902 . 20 1 1 A 70 70 LEU H H 70 7.746 7.861 -0.115 1
1 903 . 20 1 1 A 70 70 LEU HA H 70 3.340 3.044 0.296 1
1 913 . 20 1 1 A 70 70 LEU C C 70 177.996 177.789 0.207 1
1 914 . 20 1 1 A 70 70 LEU CA C 70 57.950 57.536 0.414 1
1 915 . 20 1 1 A 70 70 LEU CB C 70 40.720 41.473 -0.753 1
1 919 . 20 1 1 A 70 70 LEU N N 70 118.427 119.447 -1.020 1
1 920 . 20 1 1 A 71 71 ASP H H 71 7.662 8.178 -0.516 1
1 921 . 20 1 1 A 71 71 ASP HA H 71 4.236 4.124 0.112 1
1 924 . 20 1 1 A 71 71 ASP C C 71 179.560 178.026 1.534 1
1 925 . 20 1 1 A 71 71 ASP CA C 71 57.880 57.822 0.058 1
1 926 . 20 1 1 A 71 71 ASP CB C 71 40.340 41.757 -1.417 1
1 927 . 20 1 1 A 71 71 ASP N N 71 120.180 118.660 1.520 1
1 928 . 20 1 1 A 72 72 ALA H H 72 8.796 7.935 0.861 1
1 929 . 20 1 1 A 72 72 ALA HA H 72 4.101 4.073 0.028 1
1 933 . 20 1 1 A 72 72 ALA C C 72 179.203 179.056 0.147 1
1 934 . 20 1 1 A 72 72 ALA CA C 72 54.670 55.149 -0.479 1
1 935 . 20 1 1 A 72 72 ALA CB C 72 18.490 17.874 0.616 1
1 936 . 20 1 1 A 72 72 ALA N N 72 122.299 120.774 1.525 1
1 937 . 20 1 1 A 73 73 ALA H H 73 8.672 7.810 0.862 1
1 938 . 20 1 1 A 73 73 ALA HA H 73 3.758 4.136 -0.378 1
1 942 . 20 1 1 A 73 73 ALA C C 73 179.251 179.655 -0.404 1
1 943 . 20 1 1 A 73 73 ALA CA C 73 55.950 55.121 0.829 1
1 944 . 20 1 1 A 73 73 ALA CB C 73 17.660 18.219 -0.559 1
1 945 . 20 1 1 A 73 73 ALA N N 73 121.294 119.889 1.405 1
1 946 . 20 1 1 A 74 74 LYS H H 74 8.914 8.052 0.862 1
1 947 . 20 1 1 A 74 74 LYS HA H 74 3.790 3.785 0.005 1
1 956 . 20 1 1 A 74 74 LYS C C 74 179.589 179.510 0.079 1
1 957 . 20 1 1 A 74 74 LYS CA C 74 60.620 59.229 1.391 1
1 958 . 20 1 1 A 74 74 LYS CB C 74 32.330 32.218 0.112 1
1 962 . 20 1 1 A 74 74 LYS N N 74 119.404 118.081 1.323 1
1 963 . 20 1 1 A 75 75 SER H H 75 7.874 7.939 -0.065 1
1 964 . 20 1 1 A 75 75 SER HA H 75 4.272 4.116 0.156 1
1 967 . 20 1 1 A 75 75 SER C C 75 176.944 176.592 0.352 1
1 968 . 20 1 1 A 75 75 SER CA C 75 61.840 61.891 -0.051 1
1 969 . 20 1 1 A 75 75 SER CB C 75 62.990 62.594 0.396 1
1 970 . 20 1 1 A 75 75 SER N N 75 114.306 115.711 -1.405 1
1 971 . 20 1 1 A 76 76 MET H H 76 8.401 7.854 0.547 1
1 972 . 20 1 1 A 76 76 MET HA H 76 4.881 4.332 0.549 1
1 980 . 20 1 1 A 76 76 MET C C 76 179.811 178.751 1.060 1
1 981 . 20 1 1 A 76 76 MET CA C 76 56.060 58.897 -2.837 1
1 982 . 20 1 1 A 76 76 MET CB C 76 34.780 33.844 0.936 1
1 985 . 20 1 1 A 76 76 MET N N 76 119.510 119.948 -0.438 1
1 986 . 20 1 1 A 77 77 HIS H H 77 9.450 8.177 1.273 1
1 987 . 20 1 1 A 77 77 HIS HA H 77 5.148 4.798 0.350 1
1 992 . 20 1 1 A 77 77 HIS C C 77 181.596 178.008 3.588 1
1 993 . 20 1 1 A 77 77 HIS CA C 77 59.550 59.153 0.397 1
1 994 . 20 1 1 A 77 77 HIS CB C 77 30.720 29.629 1.091 1
1 997 . 20 1 1 A 77 77 HIS N N 77 123.245 117.769 5.476 1
1 998 . 20 1 1 A 78 78 GLU H H 78 7.832 8.195 -0.363 1
1 999 . 20 1 1 A 78 78 GLU HA H 78 4.159 4.158 0.001 1
1 1004 . 20 1 1 A 78 78 GLU C C 78 177.909 177.622 0.287 1
1 1005 . 20 1 1 A 78 78 GLU CA C 78 59.110 59.106 0.004 1
1 1006 . 20 1 1 A 78 78 GLU CB C 78 29.380 29.251 0.129 1
1 1008 . 20 1 1 A 78 78 GLU N N 78 121.124 120.107 1.017 1
1 1009 . 20 1 1 A 79 79 LEU H H 79 7.161 7.218 -0.057 1
1 1010 . 20 1 1 A 79 79 LEU HA H 79 4.360 4.234 0.126 1
1 1020 . 20 1 1 A 79 79 LEU C C 79 176.934 176.799 0.135 1
1 1021 . 20 1 1 A 79 79 LEU CA C 79 54.820 55.219 -0.399 1
1 1022 . 20 1 1 A 79 79 LEU CB C 79 43.300 42.614 0.686 1
1 1026 . 20 1 1 A 79 79 LEU N N 79 116.655 118.125 -1.470 1
1 1027 . 20 1 1 A 80 80 GLY H H 80 7.545 7.506 0.039 1
1 1028 . 20 1 1 A 80 80 GLY HA2 H 80 4.101 3.731 0.370 1
1 1029 . 20 1 1 A 80 80 GLY HA3 H 80 3.580 3.829 -0.249 1
1 1030 . 20 1 1 A 80 80 GLY C C 80 174.116 174.054 0.062 1
1 1031 . 20 1 1 A 80 80 GLY CA C 80 45.010 44.839 0.171 1
1 1032 . 20 1 1 A 80 80 GLY N N 80 105.216 105.607 -0.391 1
1 1033 . 20 1 1 A 81 81 TYR H H 81 7.519 7.650 -0.131 1
1 1034 . 20 1 1 A 81 81 TYR HA H 81 4.727 4.520 0.207 1
1 1041 . 20 1 1 A 81 81 TYR C C 81 174.377 174.909 -0.532 1
1 1042 . 20 1 1 A 81 81 TYR CA C 81 56.960 58.117 -1.157 1
1 1043 . 20 1 1 A 81 81 TYR CB C 81 40.310 39.239 1.071 1
1 1046 . 20 1 1 A 81 81 TYR N N 81 119.660 119.716 -0.056 1
1 1047 . 20 1 1 A 82 82 THR H H 82 8.786 8.839 -0.053 1
1 1048 . 20 1 1 A 82 82 THR HA H 82 3.390 3.737 -0.347 1
1 1053 . 20 1 1 A 82 82 THR CA C 82 57.030 58.367 -1.337 1
1 1054 . 20 1 1 A 82 82 THR CB C 82 68.740 68.907 -0.167 1
1 1056 . 20 1 1 A 82 82 THR N N 82 105.368 113.808 -8.440 1
1 1057 . 20 1 1 A 83 83 PRO HA H 83 5.003 4.735 0.268 1
1 1064 . 20 1 1 A 83 83 PRO C C 83 175.699 177.064 -1.365 1
1 1065 . 20 1 1 A 83 83 PRO CA C 83 63.140 62.619 0.521 1
1 1066 . 20 1 1 A 83 83 PRO CB C 83 31.570 32.516 -0.946 1
1 1069 . 20 1 1 A 84 84 TYR H H 84 9.497 8.749 0.748 1
1 1070 . 20 1 1 A 84 84 TYR HA H 84 5.482 5.210 0.272 1
1 1077 . 20 1 1 A 84 84 TYR C C 84 175.506 175.381 0.125 1
1 1078 . 20 1 1 A 84 84 TYR CA C 84 57.570 57.883 -0.313 1
1 1079 . 20 1 1 A 84 84 TYR CB C 84 40.500 39.227 1.273 1
1 1082 . 20 1 1 A 84 84 TYR N N 84 119.880 121.242 -1.362 1
1 1083 . 20 1 1 A 85 85 TYR H H 85 8.570 8.514 0.056 1
1 1084 . 20 1 1 A 85 85 TYR HA H 85 5.730 5.637 0.093 1
1 1089 . 20 1 1 A 85 85 TYR C C 85 172.215 172.443 -0.228 1
1 1090 . 20 1 1 A 85 85 TYR CA C 85 55.240 55.865 -0.625 1
1 1091 . 20 1 1 A 85 85 TYR CB C 85 40.830 41.477 -0.647 1
1 1093 . 20 1 1 A 85 85 TYR N N 85 116.764 118.135 -1.371 1
1 1094 . 20 1 1 A 86 86 LEU H H 86 8.196 9.156 -0.960 1
1 1095 . 20 1 1 A 86 86 LEU HA H 86 4.881 5.014 -0.133 1
1 1105 . 20 1 1 A 86 86 LEU C C 86 177.552 174.794 2.758 1
1 1106 . 20 1 1 A 86 86 LEU CA C 86 53.376 53.968 -0.592 1
1 1107 . 20 1 1 A 86 86 LEU CB C 86 44.360 43.764 0.596 1
1 1111 . 20 1 1 A 86 86 LEU N N 86 121.589 125.119 -3.530 1
1 1112 . 20 1 1 A 87 87 GLU H H 87 9.146 8.598 0.548 1
1 1113 . 20 1 1 A 87 87 GLU HA H 87 4.797 4.966 -0.169 1
1 1118 . 20 1 1 A 87 87 GLU C C 87 174.965 176.842 -1.877 1
1 1119 . 20 1 1 A 87 87 GLU CA C 87 55.405 55.587 -0.182 1
1 1120 . 20 1 1 A 87 87 GLU CB C 87 30.010 30.302 -0.292 1
1 1122 . 20 1 1 A 87 87 GLU N N 87 128.779 126.924 1.855 1
1 1123 . 20 1 1 A 88 88 GLY H H 88 7.349 8.071 -0.722 1
1 1124 . 20 1 1 A 88 88 GLY HA2 H 88 4.110 4.224 -0.114 1
1 1125 . 20 1 1 A 88 88 GLY HA3 H 88 4.023 4.302 -0.279 1
1 1126 . 20 1 1 A 88 88 GLY C C 88 170.593 171.901 -1.308 1
1 1127 . 20 1 1 A 88 88 GLY CA C 88 44.970 45.924 -0.954 1
1 1128 . 20 1 1 A 88 88 GLY N N 88 112.564 110.984 1.580 1
1 1129 . 20 1 1 A 89 89 ASN H H 89 8.756 8.634 0.122 1
1 1130 . 20 1 1 A 89 89 ASN HA H 89 5.722 5.284 0.438 1
1 1135 . 20 1 1 A 89 89 ASN C C 89 176.336 176.121 0.215 1
1 1136 . 20 1 1 A 89 89 ASN CA C 89 52.210 53.944 -1.734 1
1 1137 . 20 1 1 A 89 89 ASN CB C 89 40.950 38.432 2.518 1
1 1138 . 20 1 1 A 89 89 ASN N N 89 121.363 119.733 1.630 1
1 1140 . 20 1 1 A 90 90 VAL H H 90 8.928 8.156 0.772 1
1 1141 . 20 1 1 A 90 90 VAL HA H 90 4.425 1.966 2.459 1
1 1149 . 20 1 1 A 90 90 VAL C C 90 175.660 176.525 -0.865 1
1 1150 . 20 1 1 A 90 90 VAL CA C 90 58.930 64.167 -5.237 1
1 1151 . 20 1 1 A 90 90 VAL CB C 90 30.860 31.497 -0.637 1
1 1154 . 20 1 1 A 90 90 VAL N N 90 128.990 125.446 3.544 1
1 1155 . 20 1 1 A 91 91 TYR H H 91 8.330 7.740 0.590 1
1 1156 . 20 1 1 A 91 91 TYR HA H 91 4.016 4.302 -0.286 1
1 1163 . 20 1 1 A 91 91 TYR C C 91 175.718 177.810 -2.092 1
1 1164 . 20 1 1 A 91 91 TYR CA C 91 61.700 61.120 0.580 1
1 1165 . 20 1 1 A 91 91 TYR CB C 91 36.580 37.354 -0.774 1
1 1168 . 20 1 1 A 91 91 TYR N N 91 119.510 119.927 -0.417 1
1 1169 . 20 1 1 A 92 92 ASP H H 92 8.654 8.102 0.552 1
1 1170 . 20 1 1 A 92 92 ASP HA H 92 5.146 4.799 0.347 1
1 1173 . 20 1 1 A 92 92 ASP C C 92 177.224 178.710 -1.486 1
1 1174 . 20 1 1 A 92 92 ASP CA C 92 54.290 56.025 -1.735 1
1 1175 . 20 1 1 A 92 92 ASP CB C 92 42.670 40.862 1.808 1
1 1176 . 20 1 1 A 92 92 ASP N N 92 117.541 119.944 -2.403 1
1 1177 . 20 1 1 A 93 93 PHE H H 93 7.673 7.344 0.329 1
1 1178 . 20 1 1 A 93 93 PHE HA H 93 4.688 4.396 0.292 1
1 1186 . 20 1 1 A 93 93 PHE C C 93 179.270 178.482 0.788 1
1 1187 . 20 1 1 A 93 93 PHE CA C 93 60.340 61.865 -1.525 1
1 1188 . 20 1 1 A 93 93 PHE CB C 93 36.010 38.566 -2.556 1
1 1192 . 20 1 1 A 93 93 PHE N N 93 123.205 117.830 5.375 1
1 1193 . 20 1 1 A 94 94 GLU H H 94 9.164 8.621 0.543 1
1 1194 . 20 1 1 A 94 94 GLU HA H 94 4.676 4.326 0.350 1
1 1199 . 20 1 1 A 94 94 GLU C C 94 180.805 179.281 1.524 1
1 1200 . 20 1 1 A 94 94 GLU CA C 94 59.240 60.220 -0.980 1
1 1201 . 20 1 1 A 94 94 GLU CB C 94 29.640 29.583 0.057 1
1 1203 . 20 1 1 A 94 94 GLU N N 94 118.657 119.227 -0.570 1
1 1204 . 20 1 1 A 95 95 LYS H H 95 8.005 8.368 -0.363 1
1 1205 . 20 1 1 A 95 95 LYS HA H 95 4.103 4.212 -0.109 1
1 1214 . 20 1 1 A 95 95 LYS C C 95 177.948 177.971 -0.023 1
1 1215 . 20 1 1 A 95 95 LYS CA C 95 58.680 58.799 -0.119 1
1 1216 . 20 1 1 A 95 95 LYS CB C 95 31.690 31.703 -0.013 1
1 1220 . 20 1 1 A 95 95 LYS N N 95 121.494 119.290 2.204 1
1 1221 . 20 1 1 A 96 96 TYR H H 96 7.710 7.868 -0.158 1
1 1222 . 20 1 1 A 96 96 TYR HA H 96 4.332 4.645 -0.313 1
1 1229 . 20 1 1 A 96 96 TYR C C 96 174.550 176.071 -1.521 1
1 1230 . 20 1 1 A 96 96 TYR CA C 96 59.370 58.254 1.116 1
1 1231 . 20 1 1 A 96 96 TYR CB C 96 38.340 38.998 -0.658 1
1 1234 . 20 1 1 A 96 96 TYR N N 96 117.421 118.498 -1.077 1
1 1235 . 20 1 1 A 97 97 GLY H H 97 7.796 7.785 0.011 1
1 1236 . 20 1 1 A 97 97 GLY HA2 H 97 3.966 3.943 0.023 1
1 1237 . 20 1 1 A 97 97 GLY HA3 H 97 3.580 4.051 -0.471 1
1 1238 . 20 1 1 A 97 97 GLY C C 97 173.662 174.062 -0.400 1
1 1239 . 20 1 1 A 97 97 GLY CA C 97 45.160 45.329 -0.169 1
1 1240 . 20 1 1 A 97 97 GLY N N 97 105.806 106.880 -1.074 1
1 1241 . 20 1 1 A 98 98 PHE H H 98 7.323 7.861 -0.538 1
1 1242 . 20 1 1 A 98 98 PHE HA H 98 4.644 4.648 -0.004 1
1 1250 . 20 1 1 A 98 98 PHE C C 98 173.353 175.051 -1.698 1
1 1251 . 20 1 1 A 98 98 PHE CA C 98 57.490 57.687 -0.197 1
1 1252 . 20 1 1 A 98 98 PHE CB C 98 38.550 40.949 -2.399 1
1 1256 . 20 1 1 A 98 98 PHE N N 98 120.718 118.329 2.389 1
1 1257 . 20 1 1 A 99 99 ARG H H 99 7.903 8.712 -0.809 1
1 1258 . 20 1 1 A 99 99 ARG HA H 99 4.283 4.417 -0.134 1
1 1265 . 20 1 1 A 99 99 ARG C C 99 175.680 175.037 0.643 1
1 1266 . 20 1 1 A 99 99 ARG CA C 99 56.320 56.973 -0.653 1
1 1267 . 20 1 1 A 99 99 ARG CB C 99 30.610 30.864 -0.254 1
1 1270 . 20 1 1 A 99 99 ARG N N 99 122.817 124.238 -1.421 1
1 1271 . 20 1 1 A 100 100 MET H H 100 8.133 9.091 -0.958 1
1 1272 . 20 1 1 A 100 100 MET HA H 100 4.843 5.301 -0.458 1
1 1280 . 20 1 1 A 100 100 MET C C 100 175.255 174.216 1.039 1
1 1281 . 20 1 1 A 100 100 MET CA C 100 52.343 54.005 -1.662 1
1 1282 . 20 1 1 A 100 100 MET CB C 100 34.410 38.042 -3.632 1
1 1285 . 20 1 1 A 100 100 MET N N 100 121.483 125.083 -3.600 1
1 1286 . 20 1 1 A 101 101 VAL H H 101 8.471 8.599 -0.128 1
1 1287 . 20 1 1 A 101 101 VAL HA H 101 3.890 4.939 -1.049 1
1 1295 . 20 1 1 A 101 101 VAL C C 101 175.351 173.817 1.534 1
1 1296 . 20 1 1 A 101 101 VAL CA C 101 61.500 60.190 1.310 1
1 1297 . 20 1 1 A 101 101 VAL CB C 101 31.730 34.007 -2.277 1
1 1300 . 20 1 1 A 101 101 VAL N N 101 119.940 115.380 4.560 1
1 1301 . 20 1 1 A 102 102 TYR H H 102 8.612 8.953 -0.341 1
1 1302 . 20 1 1 A 102 102 TYR HA H 102 4.938 5.213 -0.275 1
1 1309 . 20 1 1 A 102 102 TYR C C 102 175.892 175.077 0.815 1
1 1310 . 20 1 1 A 102 102 TYR CA C 102 57.140 56.573 0.567 1
1 1311 . 20 1 1 A 102 102 TYR CB C 102 40.990 40.747 0.243 1
1 1314 . 20 1 1 A 102 102 TYR N N 102 126.390 126.430 -0.040 1
1 1315 . 20 1 1 A 103 103 ASP H H 103 8.071 9.050 -0.979 1
1 1316 . 20 1 1 A 103 103 ASP HA H 103 4.621 4.279 0.342 1
1 1319 . 20 1 1 A 103 103 ASP C C 103 176.220 175.606 0.614 1
1 1320 . 20 1 1 A 103 103 ASP CA C 103 55.050 55.286 -0.236 1
1 1321 . 20 1 1 A 103 103 ASP CB C 103 40.220 39.014 1.206 1
1 1322 . 20 1 1 A 103 103 ASP N N 103 120.738 119.906 0.832 1
1 1323 . 20 1 1 A 104 104 ASP H H 104 8.642 7.604 1.038 1
1 1324 . 20 1 1 A 104 104 ASP HA H 104 4.730 4.344 0.386 1
1 1327 . 20 1 1 A 104 104 ASP C C 104 176.095 178.027 -1.932 1
1 1328 . 20 1 1 A 104 104 ASP CA C 104 53.510 56.367 -2.857 1
1 1329 . 20 1 1 A 104 104 ASP CB C 104 41.060 41.364 -0.304 1
1 1330 . 20 1 1 A 104 104 ASP N N 104 121.582 118.425 3.157 1
1 1331 . 20 1 1 A 105 105 THR H H 105 8.119 7.766 0.353 1
1 1332 . 20 1 1 A 105 105 THR HA H 105 4.389 3.931 0.458 1
1 1337 . 20 1 1 A 105 105 THR C C 105 173.508 173.699 -0.191 1
1 1338 . 20 1 1 A 105 105 THR CA C 105 61.580 66.246 -4.666 1
1 1339 . 20 1 1 A 105 105 THR CB C 105 69.840 69.311 0.529 1
1 1341 . 20 1 1 A 105 105 THR N N 105 113.632 114.145 -0.513 1
1 1342 . 20 1 1 A 106 106 CYS H H 106 8.013 7.668 0.345 1
1 1343 . 20 1 1 A 106 106 CYS N N 106 129.098 116.720 12.378 1
1 1344 . 20 1 1 A 107 107 ASP HA H 107 4.606 4.603 0.003 1
1 1347 . 20 1 1 A 107 107 ASP C C 107 176.075 176.305 -0.230 1
1 1348 . 20 1 1 A 107 107 ASP CA C 107 54.790 54.514 0.276 1
1 1349 . 20 1 1 A 107 107 ASP CB C 107 40.990 41.161 -0.171 1
1 1350 . 20 1 1 A 108 108 LYS H H 108 8.216 9.035 -0.819 1
1 1351 . 20 1 1 A 108 108 LYS HA H 108 4.326 4.581 -0.255 1
1 1360 . 20 1 1 A 108 108 LYS C C 108 176.490 175.723 0.767 1
1 1361 . 20 1 1 A 108 108 LYS CA C 108 56.140 56.033 0.107 1
1 1362 . 20 1 1 A 108 108 LYS CB C 108 32.910 34.770 -1.860 1
1 1366 . 20 1 1 A 108 108 LYS N N 108 121.982 123.630 -1.648 1
1 1367 . 20 1 1 A 109 109 LYS H H 109 8.411 7.309 1.102 1
1 1368 . 20 1 1 A 109 109 LYS HA H 109 4.344 4.741 -0.397 1
1 1377 . 20 1 1 A 109 109 LYS C C 109 175.583 174.223 1.360 1
1 1378 . 20 1 1 A 109 109 LYS CA C 109 56.150 55.242 0.908 1
1 1379 . 20 1 1 A 109 109 LYS CB C 109 33.050 36.008 -2.958 1
1 1383 . 20 1 1 A 109 109 LYS N N 109 122.966 116.010 6.956 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 105 1.418 1
2 1 1 1 "RMS(OBS, PRED)" CA 107 1.356 1
3 1 1 1 "RMS(OBS, PRED)" CB 103 1.202 1
4 1 1 1 "RMS(OBS, PRED)" H 105 0.681 1
5 1 1 1 "RMS(OBS, PRED)" HA 111 0.385 1
6 1 1 1 "RMS(OBS, PRED)" N 105 2.911 1
7 1 2 1 "RMS(OBS, PRED)" C 105 1.362 1
8 1 2 1 "RMS(OBS, PRED)" CA 107 1.339 1
9 1 2 1 "RMS(OBS, PRED)" CB 103 1.189 1
10 1 2 1 "RMS(OBS, PRED)" H 105 0.701 1
11 1 2 1 "RMS(OBS, PRED)" HA 111 0.380 1
12 1 2 1 "RMS(OBS, PRED)" N 105 3.221 1
13 1 3 1 "RMS(OBS, PRED)" C 105 1.379 1
14 1 3 1 "RMS(OBS, PRED)" CA 107 1.441 1
15 1 3 1 "RMS(OBS, PRED)" CB 103 1.146 1
16 1 3 1 "RMS(OBS, PRED)" H 105 0.671 1
17 1 3 1 "RMS(OBS, PRED)" HA 111 0.392 1
18 1 3 1 "RMS(OBS, PRED)" N 105 3.090 1
19 1 4 1 "RMS(OBS, PRED)" C 105 1.380 1
20 1 4 1 "RMS(OBS, PRED)" CA 107 1.260 1
21 1 4 1 "RMS(OBS, PRED)" CB 103 1.148 1
22 1 4 1 "RMS(OBS, PRED)" H 105 0.677 1
23 1 4 1 "RMS(OBS, PRED)" HA 111 0.404 1
24 1 4 1 "RMS(OBS, PRED)" N 105 3.169 1
25 1 5 1 "RMS(OBS, PRED)" C 105 1.361 1
26 1 5 1 "RMS(OBS, PRED)" CA 107 1.280 1
27 1 5 1 "RMS(OBS, PRED)" CB 103 1.156 1
28 1 5 1 "RMS(OBS, PRED)" H 105 0.656 1
29 1 5 1 "RMS(OBS, PRED)" HA 111 0.413 1
30 1 5 1 "RMS(OBS, PRED)" N 105 2.909 1
31 1 6 1 "RMS(OBS, PRED)" C 105 1.417 1
32 1 6 1 "RMS(OBS, PRED)" CA 107 1.376 1
33 1 6 1 "RMS(OBS, PRED)" CB 103 1.182 1
34 1 6 1 "RMS(OBS, PRED)" H 105 0.630 1
35 1 6 1 "RMS(OBS, PRED)" HA 111 0.373 1
36 1 6 1 "RMS(OBS, PRED)" N 105 2.962 1
37 1 7 1 "RMS(OBS, PRED)" C 105 1.389 1
38 1 7 1 "RMS(OBS, PRED)" CA 107 1.293 1
39 1 7 1 "RMS(OBS, PRED)" CB 103 1.211 1
40 1 7 1 "RMS(OBS, PRED)" H 105 0.670 1
41 1 7 1 "RMS(OBS, PRED)" HA 111 0.405 1
42 1 7 1 "RMS(OBS, PRED)" N 105 3.135 1
43 1 8 1 "RMS(OBS, PRED)" C 105 1.387 1
44 1 8 1 "RMS(OBS, PRED)" CA 107 1.342 1
45 1 8 1 "RMS(OBS, PRED)" CB 103 1.169 1
46 1 8 1 "RMS(OBS, PRED)" H 105 0.652 1
47 1 8 1 "RMS(OBS, PRED)" HA 111 0.377 1
48 1 8 1 "RMS(OBS, PRED)" N 105 3.031 1
49 1 9 1 "RMS(OBS, PRED)" C 105 1.379 1
50 1 9 1 "RMS(OBS, PRED)" CA 107 1.339 1
51 1 9 1 "RMS(OBS, PRED)" CB 103 1.221 1
52 1 9 1 "RMS(OBS, PRED)" H 105 0.687 1
53 1 9 1 "RMS(OBS, PRED)" HA 111 0.409 1
54 1 9 1 "RMS(OBS, PRED)" N 105 2.817 1
55 1 10 1 "RMS(OBS, PRED)" C 105 1.374 1
56 1 10 1 "RMS(OBS, PRED)" CA 107 1.337 1
57 1 10 1 "RMS(OBS, PRED)" CB 103 1.204 1
58 1 10 1 "RMS(OBS, PRED)" H 105 0.680 1
59 1 10 1 "RMS(OBS, PRED)" HA 111 0.403 1
60 1 10 1 "RMS(OBS, PRED)" N 105 3.237 1
61 1 11 1 "RMS(OBS, PRED)" C 105 1.403 1
62 1 11 1 "RMS(OBS, PRED)" CA 107 1.320 1
63 1 11 1 "RMS(OBS, PRED)" CB 103 1.117 1
64 1 11 1 "RMS(OBS, PRED)" H 105 0.678 1
65 1 11 1 "RMS(OBS, PRED)" HA 111 0.399 1
66 1 11 1 "RMS(OBS, PRED)" N 105 3.125 1
67 1 12 1 "RMS(OBS, PRED)" C 105 1.394 1
68 1 12 1 "RMS(OBS, PRED)" CA 107 1.274 1
69 1 12 1 "RMS(OBS, PRED)" CB 103 1.121 1
70 1 12 1 "RMS(OBS, PRED)" H 105 0.652 1
71 1 12 1 "RMS(OBS, PRED)" HA 111 0.400 1
72 1 12 1 "RMS(OBS, PRED)" N 105 3.089 1
73 1 13 1 "RMS(OBS, PRED)" C 105 1.372 1
74 1 13 1 "RMS(OBS, PRED)" CA 107 1.320 1
75 1 13 1 "RMS(OBS, PRED)" CB 103 1.179 1
76 1 13 1 "RMS(OBS, PRED)" H 105 0.696 1
77 1 13 1 "RMS(OBS, PRED)" HA 111 0.397 1
78 1 13 1 "RMS(OBS, PRED)" N 105 2.907 1
79 1 14 1 "RMS(OBS, PRED)" C 105 1.356 1
80 1 14 1 "RMS(OBS, PRED)" CA 107 1.341 1
81 1 14 1 "RMS(OBS, PRED)" CB 103 1.240 1
82 1 14 1 "RMS(OBS, PRED)" H 105 0.697 1
83 1 14 1 "RMS(OBS, PRED)" HA 111 0.389 1
84 1 14 1 "RMS(OBS, PRED)" N 105 3.119 1
85 1 15 1 "RMS(OBS, PRED)" C 105 1.353 1
86 1 15 1 "RMS(OBS, PRED)" CA 107 1.288 1
87 1 15 1 "RMS(OBS, PRED)" CB 103 1.151 1
88 1 15 1 "RMS(OBS, PRED)" H 105 0.693 1
89 1 15 1 "RMS(OBS, PRED)" HA 111 0.403 1
90 1 15 1 "RMS(OBS, PRED)" N 105 2.783 1
91 1 16 1 "RMS(OBS, PRED)" C 105 1.399 1
92 1 16 1 "RMS(OBS, PRED)" CA 107 1.385 1
93 1 16 1 "RMS(OBS, PRED)" CB 103 1.114 1
94 1 16 1 "RMS(OBS, PRED)" H 105 0.685 1
95 1 16 1 "RMS(OBS, PRED)" HA 111 0.396 1
96 1 16 1 "RMS(OBS, PRED)" N 105 3.016 1
97 1 17 1 "RMS(OBS, PRED)" C 105 1.386 1
98 1 17 1 "RMS(OBS, PRED)" CA 107 1.360 1
99 1 17 1 "RMS(OBS, PRED)" CB 103 1.176 1
100 1 17 1 "RMS(OBS, PRED)" H 105 0.680 1
101 1 17 1 "RMS(OBS, PRED)" HA 111 0.373 1
102 1 17 1 "RMS(OBS, PRED)" N 105 2.982 1
103 1 18 1 "RMS(OBS, PRED)" C 105 1.372 1
104 1 18 1 "RMS(OBS, PRED)" CA 107 1.375 1
105 1 18 1 "RMS(OBS, PRED)" CB 103 1.216 1
106 1 18 1 "RMS(OBS, PRED)" H 105 0.627 1
107 1 18 1 "RMS(OBS, PRED)" HA 111 0.373 1
108 1 18 1 "RMS(OBS, PRED)" N 105 2.898 1
109 1 19 1 "RMS(OBS, PRED)" C 105 1.403 1
110 1 19 1 "RMS(OBS, PRED)" CA 107 1.283 1
111 1 19 1 "RMS(OBS, PRED)" CB 103 1.203 1
112 1 19 1 "RMS(OBS, PRED)" H 105 0.693 1
113 1 19 1 "RMS(OBS, PRED)" HA 111 0.386 1
114 1 19 1 "RMS(OBS, PRED)" N 105 2.970 1
115 1 20 1 "RMS(OBS, PRED)" C 105 1.388 1
116 1 20 1 "RMS(OBS, PRED)" CA 107 1.367 1
117 1 20 1 "RMS(OBS, PRED)" CB 103 1.206 1
118 1 20 1 "RMS(OBS, PRED)" H 105 0.652 1
119 1 20 1 "RMS(OBS, PRED)" HA 111 0.409 1
120 1 20 1 "RMS(OBS, PRED)" N 105 3.252 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 LEU H H 2 8.858 7.867 0.991 2
1 15 . 1 1 A 2 2 LEU HA H 2 4.010 3.986 0.024 2
1 25 . 1 1 A 2 2 LEU C C 2 179.512 178.356 1.156 2
1 26 . 1 1 A 2 2 LEU CA C 2 57.230 56.250 0.980 2
1 27 . 1 1 A 2 2 LEU CB C 2 41.500 41.071 0.429 2
1 31 . 1 1 A 2 2 LEU N N 2 124.589 118.834 5.755 2
1 32 . 1 1 A 3 3 GLU H H 3 9.299 8.856 0.443 2
1 33 . 1 1 A 3 3 GLU HA H 3 4.234 4.464 -0.230 2
1 38 . 1 1 A 3 3 GLU C C 3 178.189 178.026 0.163 2
1 39 . 1 1 A 3 3 GLU CA C 3 59.930 58.750 1.180 2
1 40 . 1 1 A 3 3 GLU CB C 3 28.810 28.249 0.561 2
1 42 . 1 1 A 3 3 GLU N N 3 118.833 121.517 -2.684 2
1 43 . 1 1 A 4 4 ASP H H 4 8.188 8.178 0.011 2
1 44 . 1 1 A 4 4 ASP HA H 4 4.524 4.477 0.047 2
1 47 . 1 1 A 4 4 ASP C C 4 176.722 177.609 -0.887 2
1 48 . 1 1 A 4 4 ASP CA C 4 56.240 56.747 -0.507 2
1 49 . 1 1 A 4 4 ASP CB C 4 39.910 40.861 -0.951 2
1 50 . 1 1 A 4 4 ASP N N 4 118.286 120.289 -2.003 2
1 51 . 1 1 A 5 5 TYR H H 5 8.336 7.917 0.419 2
1 52 . 1 1 A 5 5 TYR HA H 5 4.284 4.603 -0.319 2
1 59 . 1 1 A 5 5 TYR C C 5 172.456 175.706 -3.250 2
1 60 . 1 1 A 5 5 TYR CA C 5 58.770 58.861 -0.091 2
1 61 . 1 1 A 5 5 TYR CB C 5 37.820 37.864 -0.044 2
1 64 . 1 1 A 5 5 TYR N N 5 119.641 116.290 3.351 2
1 65 . 1 1 A 6 6 ALA H H 6 6.748 7.254 -0.506 2
1 66 . 1 1 A 6 6 ALA HA H 6 3.470 3.294 0.176 2
1 70 . 1 1 A 6 6 ALA C C 6 178.122 176.416 1.706 2
1 71 . 1 1 A 6 6 ALA CA C 6 51.440 51.491 -0.051 2
1 72 . 1 1 A 6 6 ALA CB C 6 19.600 18.708 0.892 2
1 73 . 1 1 A 6 6 ALA N N 6 122.727 122.998 -0.271 2
1 74 . 1 1 A 7 7 ILE H H 7 8.665 8.213 0.452 2
1 75 . 1 1 A 7 7 ILE HA H 7 4.303 4.534 -0.231 2
1 85 . 1 1 A 7 7 ILE C C 7 174.386 175.361 -0.975 2
1 86 . 1 1 A 7 7 ILE CA C 7 58.640 60.264 -1.624 2
1 87 . 1 1 A 7 7 ILE CB C 7 39.820 38.976 0.844 2
1 91 . 1 1 A 7 7 ILE N N 7 124.318 124.096 0.222 2
1 92 . 1 1 A 8 8 SER H H 8 8.884 8.777 0.107 2
1 93 . 1 1 A 8 8 SER HA H 8 4.881 4.591 0.290 2
1 96 . 1 1 A 8 8 SER C C 8 176.268 175.379 0.889 2
1 97 . 1 1 A 8 8 SER CA C 8 57.157 58.010 -0.853 2
1 98 . 1 1 A 8 8 SER CB C 8 64.390 64.554 -0.164 2
1 99 . 1 1 A 8 8 SER N N 8 122.739 122.550 0.189 2
1 100 . 1 1 A 9 9 LEU H H 9 8.077 8.581 -0.504 2
1 101 . 1 1 A 9 9 LEU HA H 9 3.652 3.959 -0.307 2
1 111 . 1 1 A 9 9 LEU C C 9 175.322 178.272 -2.950 2
1 112 . 1 1 A 9 9 LEU CA C 9 57.190 58.027 -0.837 2
1 113 . 1 1 A 9 9 LEU CB C 9 42.290 41.511 0.779 2
1 117 . 1 1 A 9 9 LEU N N 9 126.321 128.038 -1.717 2
1 118 . 1 1 A 10 10 GLU H H 10 8.361 9.321 -0.960 2
1 119 . 1 1 A 10 10 GLU HA H 10 3.754 4.455 -0.701 2
1 124 . 1 1 A 10 10 GLU C C 10 176.452 177.282 -0.830 2
1 125 . 1 1 A 10 10 GLU CA C 10 58.470 58.129 0.341 2
1 126 . 1 1 A 10 10 GLU CB C 10 29.480 28.405 1.075 2
1 128 . 1 1 A 10 10 GLU N N 10 112.911 117.078 -4.167 2
1 129 . 1 1 A 11 11 GLU H H 11 7.284 8.042 -0.758 2
1 130 . 1 1 A 11 11 GLU HA H 11 4.531 4.529 0.002 2
1 135 . 1 1 A 11 11 GLU C C 11 176.539 176.201 0.338 2
1 136 . 1 1 A 11 11 GLU CA C 11 55.240 56.109 -0.869 2
1 137 . 1 1 A 11 11 GLU CB C 11 32.160 30.732 1.428 2
1 139 . 1 1 A 11 11 GLU N N 11 114.276 115.929 -1.653 2
1 140 . 1 1 A 12 12 VAL H H 12 7.077 7.278 -0.201 2
1 141 . 1 1 A 12 12 VAL HA H 12 3.677 4.021 -0.344 2
1 149 . 1 1 A 12 12 VAL C C 12 173.900 174.738 -0.838 2
1 150 . 1 1 A 12 12 VAL CA C 12 62.510 61.813 0.697 2
1 151 . 1 1 A 12 12 VAL CB C 12 31.920 32.373 -0.453 2
1 154 . 1 1 A 12 12 VAL N N 12 121.932 121.177 0.755 2
1 155 . 1 1 A 13 13 ASN H H 13 7.996 8.628 -0.632 2
1 156 . 1 1 A 13 13 ASN HA H 13 4.840 5.253 -0.413 2
1 161 . 1 1 A 13 13 ASN C C 13 176.876 175.197 1.679 2
1 162 . 1 1 A 13 13 ASN CA C 13 52.168 51.731 0.437 2
1 163 . 1 1 A 13 13 ASN CB C 13 38.500 39.588 -1.088 2
1 164 . 1 1 A 13 13 ASN N N 13 121.232 125.464 -4.232 2
1 166 . 1 1 A 14 14 PHE H H 14 6.268 7.945 -1.677 2
1 167 . 1 1 A 14 14 PHE HA H 14 3.868 4.202 -0.334 2
1 175 . 1 1 A 14 14 PHE C C 14 176.423 177.937 -1.514 2
1 176 . 1 1 A 14 14 PHE CA C 14 62.520 60.712 1.808 2
1 177 . 1 1 A 14 14 PHE CB C 14 38.780 38.594 0.186 2
1 181 . 1 1 A 14 14 PHE N N 14 120.637 121.782 -1.145 2
1 182 . 1 1 A 15 15 ASN H H 15 8.184 8.471 -0.287 2
1 183 . 1 1 A 15 15 ASN HA H 15 4.602 4.470 0.132 2
1 188 . 1 1 A 15 15 ASN C C 15 175.738 177.440 -1.702 2
1 189 . 1 1 A 15 15 ASN CA C 15 55.240 55.744 -0.504 2
1 190 . 1 1 A 15 15 ASN CB C 15 38.270 37.560 0.709 2
1 191 . 1 1 A 15 15 ASN N N 15 113.599 116.640 -3.041 2
1 193 . 1 1 A 16 16 ASP H H 16 7.680 7.480 0.200 2
1 194 . 1 1 A 16 16 ASP HA H 16 4.450 4.216 0.234 2
1 197 . 1 1 A 16 16 ASP C C 16 174.589 175.340 -0.751 2
1 198 . 1 1 A 16 16 ASP CA C 16 54.860 55.825 -0.965 2
1 199 . 1 1 A 16 16 ASP CB C 16 41.140 40.926 0.214 2
1 200 . 1 1 A 16 16 ASP N N 16 117.808 118.935 -1.127 2
1 201 . 1 1 A 17 17 PHE H H 17 7.648 7.272 0.375 2
1 202 . 1 1 A 17 17 PHE HA H 17 4.788 5.069 -0.280 2
1 210 . 1 1 A 17 17 PHE C C 17 175.516 175.604 -0.088 2
1 211 . 1 1 A 17 17 PHE CA C 17 56.790 56.754 0.036 2
1 212 . 1 1 A 17 17 PHE CB C 17 44.090 41.897 2.193 2
1 216 . 1 1 A 17 17 PHE N N 17 116.207 115.763 0.444 2
1 217 . 1 1 A 18 18 ILE H H 18 8.674 9.056 -0.382 2
1 218 . 1 1 A 18 18 ILE HA H 18 4.335 4.505 -0.170 2
1 228 . 1 1 A 18 18 ILE C C 18 175.612 175.895 -0.284 2
1 229 . 1 1 A 18 18 ILE CA C 18 60.930 61.328 -0.398 2
1 230 . 1 1 A 18 18 ILE CB C 18 37.620 37.619 0.001 2
1 234 . 1 1 A 18 18 ILE N N 18 121.498 123.120 -1.621 2
1 235 . 1 1 A 19 19 VAL H H 19 9.009 8.345 0.664 2
1 236 . 1 1 A 19 19 VAL HA H 19 4.760 4.814 -0.054 2
1 244 . 1 1 A 19 19 VAL C C 19 175.622 175.390 0.232 2
1 245 . 1 1 A 19 19 VAL CA C 19 62.974 61.857 1.117 2
1 246 . 1 1 A 19 19 VAL CB C 19 32.770 32.514 0.256 2
1 249 . 1 1 A 19 19 VAL N N 19 129.378 128.560 0.818 2
1 250 . 1 1 A 20 20 VAL H H 20 9.606 8.992 0.614 2
1 251 . 1 1 A 20 20 VAL HA H 20 4.581 4.515 0.066 2
1 259 . 1 1 A 20 20 VAL C C 20 172.234 174.643 -2.409 2
1 260 . 1 1 A 20 20 VAL CA C 20 60.660 60.693 -0.033 2
1 261 . 1 1 A 20 20 VAL CB C 20 33.910 35.114 -1.204 2
1 264 . 1 1 A 20 20 VAL N N 20 131.965 126.897 5.068 2
1 265 . 1 1 A 21 21 ASP H H 21 8.367 8.830 -0.463 2
1 266 . 1 1 A 21 21 ASP HA H 21 4.105 4.346 -0.241 2
1 269 . 1 1 A 21 21 ASP C C 21 176.182 175.385 0.797 2
1 270 . 1 1 A 21 21 ASP CA C 21 50.850 53.227 -2.377 2
1 271 . 1 1 A 21 21 ASP CB C 21 43.460 40.943 2.517 2
1 272 . 1 1 A 21 21 ASP N N 21 129.516 127.655 1.861 2
1 273 . 1 1 A 22 22 VAL H H 22 8.095 8.006 0.089 2
1 274 . 1 1 A 22 22 VAL HA H 22 5.720 4.886 0.834 2
1 282 . 1 1 A 22 22 VAL C C 22 178.006 174.720 3.286 2
1 283 . 1 1 A 22 22 VAL CA C 22 58.990 61.198 -2.208 2
1 284 . 1 1 A 22 22 VAL CB C 22 30.150 31.338 -1.188 2
1 287 . 1 1 A 22 22 VAL N N 22 114.833 120.440 -5.607 2
1 288 . 1 1 A 23 23 ARG H H 23 7.467 8.134 -0.667 2
1 289 . 1 1 A 23 23 ARG HA H 23 4.358 4.551 -0.193 2
1 299 . 1 1 A 23 23 ARG C C 23 172.157 175.963 -3.806 2
1 300 . 1 1 A 23 23 ARG CA C 23 56.190 56.444 -0.254 2
1 301 . 1 1 A 23 23 ARG CB C 23 31.230 32.314 -1.084 2
1 304 . 1 1 A 23 23 ARG N N 23 120.418 125.169 -4.751 2
1 307 . 1 1 A 24 24 GLU H H 24 7.372 7.657 -0.285 2
1 308 . 1 1 A 24 24 GLU HA H 24 4.454 4.664 -0.210 2
1 313 . 1 1 A 24 24 GLU C C 24 178.807 176.254 2.553 2
1 314 . 1 1 A 24 24 GLU CA C 24 53.870 55.453 -1.583 2
1 315 . 1 1 A 24 24 GLU CB C 24 31.610 33.542 -1.932 2
1 317 . 1 1 A 24 24 GLU N N 24 111.001 115.958 -4.957 2
1 318 . 1 1 A 25 25 LEU H H 25 8.842 8.583 0.259 2
1 319 . 1 1 A 25 25 LEU HA H 25 3.922 3.969 -0.047 2
1 329 . 1 1 A 25 25 LEU C C 25 177.591 177.634 -0.043 2
1 330 . 1 1 A 25 25 LEU CA C 25 58.800 58.514 0.286 2
1 331 . 1 1 A 25 25 LEU CB C 25 42.000 41.429 0.571 2
1 335 . 1 1 A 25 25 LEU N N 25 122.468 126.135 -3.667 2
1 336 . 1 1 A 26 26 ASP H H 26 8.671 8.160 0.511 2
1 337 . 1 1 A 26 26 ASP HA H 26 4.389 4.343 0.046 2
1 340 . 1 1 A 26 26 ASP C C 26 178.739 178.222 0.517 2
1 341 . 1 1 A 26 26 ASP CA C 26 56.540 57.855 -1.315 2
1 342 . 1 1 A 26 26 ASP CB C 26 39.570 42.072 -2.502 2
1 343 . 1 1 A 26 26 ASP N N 26 114.189 118.856 -4.667 2
1 344 . 1 1 A 27 27 GLU H H 27 7.235 8.234 -0.999 2
1 345 . 1 1 A 27 27 GLU HA H 27 4.304 4.055 0.249 2
1 350 . 1 1 A 27 27 GLU C C 27 177.678 178.601 -0.923 2
1 351 . 1 1 A 27 27 GLU CA C 27 58.830 59.231 -0.401 2
1 352 . 1 1 A 27 27 GLU CB C 27 30.650 29.297 1.353 2
1 354 . 1 1 A 27 27 GLU N N 27 120.618 118.369 2.249 2
1 355 . 1 1 A 28 28 TYR H H 28 7.703 8.003 -0.300 2
1 356 . 1 1 A 28 28 TYR HA H 28 4.149 3.977 0.172 2
1 363 . 1 1 A 28 28 TYR C C 28 177.108 177.927 -0.819 2
1 364 . 1 1 A 28 28 TYR CA C 28 60.600 61.276 -0.676 2
1 365 . 1 1 A 28 28 TYR CB C 28 39.300 38.583 0.717 2
1 370 . 1 1 A 28 28 TYR N N 28 121.871 121.814 0.057 2
1 371 . 1 1 A 29 29 GLU H H 29 8.727 8.105 0.622 2
1 372 . 1 1 A 29 29 GLU HA H 29 3.823 3.977 -0.154 2
1 377 . 1 1 A 29 29 GLU C C 29 177.456 178.852 -1.396 2
1 378 . 1 1 A 29 29 GLU CA C 29 58.770 59.747 -0.977 2
1 379 . 1 1 A 29 29 GLU CB C 29 29.880 29.436 0.444 2
1 381 . 1 1 A 29 29 GLU N N 29 116.326 118.382 -2.056 2
1 382 . 1 1 A 30 30 GLU H H 30 7.225 8.099 -0.874 2
1 383 . 1 1 A 30 30 GLU HA H 30 4.219 4.215 0.004 2
1 388 . 1 1 A 30 30 GLU C C 30 177.012 176.431 0.580 2
1 389 . 1 1 A 30 30 GLU CA C 30 59.750 58.776 0.974 2
1 390 . 1 1 A 30 30 GLU CB C 30 29.310 29.376 -0.066 2
1 392 . 1 1 A 30 30 GLU N N 30 119.394 117.081 2.313 2
1 393 . 1 1 A 31 31 LEU H H 31 7.512 7.447 0.065 2
1 394 . 1 1 A 31 31 LEU HA H 31 5.102 4.602 0.500 2
1 404 . 1 1 A 31 31 LEU C C 31 173.363 174.634 -1.271 2
1 405 . 1 1 A 31 31 LEU CA C 31 55.760 53.626 2.134 2
1 406 . 1 1 A 31 31 LEU CB C 31 42.880 44.121 -1.241 2
1 410 . 1 1 A 31 31 LEU N N 31 118.039 116.677 1.362 2
1 411 . 1 1 A 32 32 HIS H H 32 8.196 8.312 -0.116 2
1 412 . 1 1 A 32 32 HIS HA H 32 4.433 5.032 -0.599 2
1 417 . 1 1 A 32 32 HIS C C 32 171.973 172.240 -0.267 2
1 418 . 1 1 A 32 32 HIS CA C 32 54.660 54.257 0.403 2
1 419 . 1 1 A 32 32 HIS CB C 32 31.500 31.332 0.168 2
1 422 . 1 1 A 32 32 HIS N N 32 114.425 115.262 -0.837 2
1 423 . 1 1 A 33 33 LEU H H 33 10.099 8.662 1.437 2
1 424 . 1 1 A 33 33 LEU HA H 33 4.745 4.227 0.518 2
1 434 . 1 1 A 33 33 LEU CA C 33 53.423 52.948 0.475 2
1 435 . 1 1 A 33 33 LEU CB C 33 42.750 41.327 1.423 2
1 439 . 1 1 A 33 33 LEU N N 33 124.819 120.761 4.058 2
1 440 . 1 1 A 34 34 PRO HA H 34 4.328 4.365 -0.037 2
1 447 . 1 1 A 34 34 PRO C C 34 177.012 177.281 -0.269 2
1 448 . 1 1 A 34 34 PRO CA C 34 64.440 64.568 -0.128 2
1 449 . 1 1 A 34 34 PRO CB C 34 31.660 31.722 -0.062 2
1 452 . 1 1 A 35 35 ASN H H 35 8.736 8.330 0.406 2
1 453 . 1 1 A 35 35 ASN HA H 35 4.701 4.895 -0.194 2
1 458 . 1 1 A 35 35 ASN C C 35 174.801 175.019 -0.218 2
1 459 . 1 1 A 35 35 ASN CA C 35 53.470 53.010 0.460 2
1 460 . 1 1 A 35 35 ASN CB C 35 37.650 38.911 -1.261 2
1 461 . 1 1 A 35 35 ASN N N 35 113.231 115.121 -1.890 2
1 463 . 1 1 A 36 36 ALA H H 36 7.434 7.319 0.115 2
1 464 . 1 1 A 36 36 ALA HA H 36 4.523 4.680 -0.157 2
1 468 . 1 1 A 36 36 ALA C C 36 177.494 176.810 0.684 2
1 469 . 1 1 A 36 36 ALA CA C 36 52.700 50.708 1.992 2
1 470 . 1 1 A 36 36 ALA CB C 36 21.760 20.623 1.137 2
1 471 . 1 1 A 36 36 ALA N N 36 122.419 122.917 -0.498 2
1 472 . 1 1 A 37 37 THR H H 37 8.334 8.710 -0.376 2
1 473 . 1 1 A 37 37 THR HA H 37 4.184 4.448 -0.264 2
1 479 . 1 1 A 37 37 THR C C 37 172.359 173.935 -1.576 2
1 480 . 1 1 A 37 37 THR CA C 37 63.020 62.995 0.025 2
1 481 . 1 1 A 37 37 THR CB C 37 69.800 69.148 0.652 2
1 483 . 1 1 A 37 37 THR N N 37 121.183 119.127 2.056 2
1 484 . 1 1 A 38 38 LEU H H 38 8.306 8.517 -0.211 2
1 485 . 1 1 A 38 38 LEU HA H 38 4.815 4.443 0.372 2
1 495 . 1 1 A 38 38 LEU C C 38 176.529 174.942 1.587 2
1 496 . 1 1 A 38 38 LEU CA C 38 53.873 54.803 -0.930 2
1 497 . 1 1 A 38 38 LEU CB C 38 41.830 42.011 -0.181 2
1 501 . 1 1 A 38 38 LEU N N 38 130.981 129.905 1.076 2
1 502 . 1 1 A 39 39 ILE H H 39 8.612 8.138 0.474 2
1 503 . 1 1 A 39 39 ILE HA H 39 3.779 4.600 -0.821 2
1 513 . 1 1 A 39 39 ILE C C 39 172.186 174.627 -2.441 2
1 514 . 1 1 A 39 39 ILE CA C 39 62.040 59.809 2.231 2
1 515 . 1 1 A 39 39 ILE CB C 39 40.360 42.176 -1.816 2
1 519 . 1 1 A 39 39 ILE N N 39 131.100 129.140 1.960 2
1 520 . 1 1 A 40 40 SER H H 40 8.123 8.787 -0.664 2
1 521 . 1 1 A 40 40 SER HA H 40 3.904 4.541 -0.637 2
1 524 . 1 1 A 40 40 SER C C 40 177.629 175.366 2.263 2
1 525 . 1 1 A 40 40 SER CA C 40 58.810 58.656 0.154 2
1 526 . 1 1 A 40 40 SER CB C 40 63.090 63.731 -0.641 2
1 527 . 1 1 A 40 40 SER N N 40 118.068 122.229 -4.161 2
1 528 . 1 1 A 41 41 VAL H H 41 7.739 8.568 -0.829 2
1 529 . 1 1 A 41 41 VAL HA H 41 3.913 3.859 0.054 2
1 537 . 1 1 A 41 41 VAL C C 41 174.714 177.337 -2.623 2
1 538 . 1 1 A 41 41 VAL CA C 41 58.990 64.888 -5.898 2
1 539 . 1 1 A 41 41 VAL CB C 41 31.730 31.827 -0.097 2
1 542 . 1 1 A 41 41 VAL N N 41 124.290 127.005 -2.715 2
1 543 . 1 1 A 42 42 ASN H H 42 8.344 8.360 -0.016 2
1 544 . 1 1 A 42 42 ASN HA H 42 4.630 4.529 0.101 2
1 549 . 1 1 A 42 42 ASN C C 42 175.699 175.803 -0.104 2
1 550 . 1 1 A 42 42 ASN CA C 42 54.860 55.371 -0.511 2
1 551 . 1 1 A 42 42 ASN CB C 42 38.610 37.816 0.794 2
1 552 . 1 1 A 42 42 ASN N N 42 116.715 117.706 -0.991 2
1 554 . 1 1 A 43 43 ASP H H 43 8.417 7.502 0.916 2
1 555 . 1 1 A 43 43 ASP HA H 43 5.021 4.877 0.144 2
1 558 . 1 1 A 43 43 ASP C C 43 175.699 176.036 -0.337 2
1 559 . 1 1 A 43 43 ASP CA C 43 52.300 52.767 -0.467 2
1 560 . 1 1 A 43 43 ASP CB C 43 39.540 38.726 0.814 2
1 561 . 1 1 A 43 43 ASP N N 43 125.038 119.524 5.514 2
1 562 . 1 1 A 44 44 GLN H H 44 7.762 8.156 -0.394 2
1 563 . 1 1 A 44 44 GLN HA H 44 3.815 4.047 -0.232 2
1 570 . 1 1 A 44 44 GLN C C 44 178.430 178.144 0.286 2
1 571 . 1 1 A 44 44 GLN CA C 44 59.650 58.962 0.688 2
1 572 . 1 1 A 44 44 GLN CB C 44 28.760 28.350 0.410 2
1 574 . 1 1 A 44 44 GLN N N 44 119.490 122.958 -3.468 2
1 576 . 1 1 A 45 45 GLU H H 45 8.705 8.397 0.308 2
1 577 . 1 1 A 45 45 GLU HA H 45 4.059 4.065 -0.006 2
1 582 . 1 1 A 45 45 GLU C C 45 178.739 178.837 -0.098 2
1 583 . 1 1 A 45 45 GLU CA C 45 59.660 59.382 0.278 2
1 584 . 1 1 A 45 45 GLU CB C 45 28.900 29.150 -0.250 2
1 586 . 1 1 A 45 45 GLU N N 45 119.373 118.547 0.826 2
1 587 . 1 1 A 46 46 LYS H H 46 7.545 7.770 -0.225 2
1 588 . 1 1 A 46 46 LYS HA H 46 4.119 4.173 -0.054 2
1 597 . 1 1 A 46 46 LYS C C 46 179.579 178.826 0.753 2
1 598 . 1 1 A 46 46 LYS CA C 46 58.940 59.177 -0.237 2
1 599 . 1 1 A 46 46 LYS CB C 46 32.750 32.072 0.678 2
1 603 . 1 1 A 46 46 LYS N N 46 120.645 119.858 0.787 2
1 604 . 1 1 A 47 47 LEU H H 47 8.005 7.823 0.182 2
1 605 . 1 1 A 47 47 LEU HA H 47 4.059 4.029 0.030 2
1 615 . 1 1 A 47 47 LEU C C 47 177.436 178.321 -0.885 2
1 616 . 1 1 A 47 47 LEU CA C 47 58.090 57.856 0.234 2
1 617 . 1 1 A 47 47 LEU CB C 47 41.150 41.474 -0.325 2
1 621 . 1 1 A 47 47 LEU N N 47 122.201 120.946 1.255 2
1 622 . 1 1 A 48 48 ALA H H 48 8.239 8.426 -0.187 2
1 623 . 1 1 A 48 48 ALA HA H 48 3.733 3.686 0.047 2
1 627 . 1 1 A 48 48 ALA C C 48 179.347 178.998 0.349 2
1 628 . 1 1 A 48 48 ALA CA C 48 55.420 55.108 0.312 2
1 629 . 1 1 A 48 48 ALA CB C 48 18.240 17.955 0.285 2
1 630 . 1 1 A 48 48 ALA N N 48 121.483 120.977 0.506 2
1 631 . 1 1 A 49 49 ASP H H 49 8.001 7.876 0.125 2
1 632 . 1 1 A 49 49 ASP HA H 49 4.308 4.326 -0.018 2
1 635 . 1 1 A 49 49 ASP C C 49 179.106 178.180 0.926 2
1 636 . 1 1 A 49 49 ASP CA C 49 57.350 57.215 0.135 2
1 637 . 1 1 A 49 49 ASP CB C 49 41.250 41.592 -0.342 2
1 638 . 1 1 A 49 49 ASP N N 49 117.231 118.855 -1.624 2
1 639 . 1 1 A 50 50 PHE H H 50 8.265 8.141 0.124 2
1 640 . 1 1 A 50 50 PHE HA H 50 4.101 4.080 0.021 2
1 647 . 1 1 A 50 50 PHE C C 50 179.048 176.823 2.225 2
1 648 . 1 1 A 50 50 PHE CA C 50 62.590 61.174 1.416 2
1 649 . 1 1 A 50 50 PHE CB C 50 39.810 39.275 0.535 2
1 651 . 1 1 A 50 50 PHE N N 50 122.379 120.256 2.123 2
1 652 . 1 1 A 51 51 LEU H H 51 8.653 7.965 0.688 2
1 653 . 1 1 A 51 51 LEU HA H 51 3.789 3.837 -0.048 2
1 663 . 1 1 A 51 51 LEU C C 51 180.400 178.847 1.553 2
1 664 . 1 1 A 51 51 LEU CA C 51 58.140 57.194 0.946 2
1 665 . 1 1 A 51 51 LEU CB C 51 38.770 41.149 -2.379 2
1 669 . 1 1 A 51 51 LEU N N 51 120.277 119.579 0.698 2
1 670 . 1 1 A 52 52 SER H H 52 8.332 7.877 0.455 2
1 671 . 1 1 A 52 52 SER HA H 52 4.160 4.343 -0.183 2
1 674 . 1 1 A 52 52 SER C C 52 176.220 176.789 -0.569 2
1 675 . 1 1 A 52 52 SER CA C 52 61.840 60.960 0.880 2
1 676 . 1 1 A 52 52 SER CB C 52 62.850 63.124 -0.274 2
1 677 . 1 1 A 52 52 SER N N 52 115.630 114.590 1.040 2
1 678 . 1 1 A 53 53 GLN H H 53 7.405 7.702 -0.297 2
1 679 . 1 1 A 53 53 GLN HA H 53 4.092 4.049 0.043 2
1 686 . 1 1 A 53 53 GLN C C 53 176.046 176.236 -0.190 2
1 687 . 1 1 A 53 53 GLN CA C 53 56.560 58.493 -1.933 2
1 688 . 1 1 A 53 53 GLN CB C 53 28.580 28.785 -0.205 2
1 690 . 1 1 A 53 53 GLN N N 53 119.056 119.226 -0.170 2
1 692 . 1 1 A 54 54 HIS H H 54 7.311 7.652 -0.341 2
1 693 . 1 1 A 54 54 HIS HA H 54 4.754 4.830 -0.076 2
1 696 . 1 1 A 54 54 HIS C C 54 175.467 175.146 0.321 2
1 697 . 1 1 A 54 54 HIS CA C 54 55.562 55.264 0.298 2
1 698 . 1 1 A 54 54 HIS CB C 54 29.650 31.542 -1.892 2
1 699 . 1 1 A 54 54 HIS N N 54 117.800 115.507 2.293 2
1 700 . 1 1 A 55 55 LYS H H 55 7.646 8.314 -0.668 2
1 701 . 1 1 A 55 55 LYS HA H 55 4.296 4.277 0.019 2
1 710 . 1 1 A 55 55 LYS C C 55 176.741 176.301 0.440 2
1 711 . 1 1 A 55 55 LYS CA C 55 58.710 58.320 0.390 2
1 712 . 1 1 A 55 55 LYS CB C 55 32.370 31.884 0.486 2
1 716 . 1 1 A 55 55 LYS N N 55 119.903 121.291 -1.388 2
1 717 . 1 1 A 56 56 ASP H H 56 8.853 7.944 0.909 2
1 718 . 1 1 A 56 56 ASP HA H 56 4.655 4.827 -0.172 2
1 721 . 1 1 A 56 56 ASP C C 56 175.158 174.805 0.353 2
1 722 . 1 1 A 56 56 ASP CA C 56 53.930 53.457 0.473 2
1 723 . 1 1 A 56 56 ASP CB C 56 40.220 40.124 0.096 2
1 724 . 1 1 A 56 56 ASP N N 56 116.429 119.269 -2.840 2
1 725 . 1 1 A 57 57 LYS H H 57 7.655 8.135 -0.480 2
1 726 . 1 1 A 57 57 LYS HA H 57 4.701 5.019 -0.318 2
1 735 . 1 1 A 57 57 LYS C C 57 175.236 174.569 0.667 2
1 736 . 1 1 A 57 57 LYS CA C 57 53.830 54.946 -1.116 2
1 737 . 1 1 A 57 57 LYS CB C 57 35.550 35.637 -0.087 2
1 741 . 1 1 A 57 57 LYS N N 57 119.510 120.057 -0.547 2
1 742 . 1 1 A 58 58 LYS H H 58 8.265 8.633 -0.368 2
1 743 . 1 1 A 58 58 LYS HA H 58 4.745 4.976 -0.231 2
1 752 . 1 1 A 58 58 LYS C C 58 175.651 175.471 0.180 2
1 753 . 1 1 A 58 58 LYS CA C 58 56.870 55.804 1.066 2
1 754 . 1 1 A 58 58 LYS CB C 58 33.250 33.716 -0.466 2
1 758 . 1 1 A 58 58 LYS N N 58 120.091 122.648 -2.557 2
1 759 . 1 1 A 59 59 VAL H H 59 9.233 9.222 0.011 2
1 760 . 1 1 A 59 59 VAL HA H 59 5.231 5.390 -0.159 2
1 768 . 1 1 A 59 59 VAL C C 59 173.556 174.241 -0.685 2
1 769 . 1 1 A 59 59 VAL CA C 59 60.930 61.290 -0.360 2
1 770 . 1 1 A 59 59 VAL CB C 59 34.300 34.590 -0.290 2
1 772 . 1 1 A 59 59 VAL N N 59 127.047 126.929 0.118 2
1 773 . 1 1 A 60 60 LEU H H 60 9.228 8.951 0.277 2
1 774 . 1 1 A 60 60 LEU HA H 60 4.815 5.129 -0.314 2
1 784 . 1 1 A 60 60 LEU C C 60 173.421 174.964 -1.543 2
1 785 . 1 1 A 60 60 LEU CA C 60 52.586 53.584 -0.998 2
1 786 . 1 1 A 60 60 LEU CB C 60 45.660 44.872 0.788 2
1 790 . 1 1 A 60 60 LEU N N 60 129.197 129.665 -0.468 2
1 791 . 1 1 A 61 61 LEU H H 61 9.055 9.104 -0.049 2
1 792 . 1 1 A 61 61 LEU HA H 61 5.713 4.906 0.807 2
1 802 . 1 1 A 61 61 LEU C C 61 176.683 176.650 0.032 2
1 803 . 1 1 A 61 61 LEU CA C 61 52.760 54.189 -1.429 2
1 804 . 1 1 A 61 61 LEU CB C 61 43.220 41.246 1.974 2
1 808 . 1 1 A 61 61 LEU N N 61 125.903 128.843 -2.940 2
1 809 . 1 1 A 62 62 HIS H H 62 9.148 8.918 0.230 2
1 810 . 1 1 A 62 62 HIS HA H 62 5.440 5.402 0.038 2
1 816 . 1 1 A 62 62 HIS C C 62 172.301 173.812 -1.511 2
1 817 . 1 1 A 62 62 HIS CA C 62 54.580 54.196 0.384 2
1 818 . 1 1 A 62 62 HIS CB C 62 33.980 31.709 2.271 2
1 821 . 1 1 A 62 62 HIS N N 62 119.183 122.027 -2.844 2
1 823 . 1 1 A 63 63 CYS H H 63 9.389 8.187 1.202 2
1 824 . 1 1 A 63 63 CYS HA H 63 5.021 4.755 0.266 2
1 827 . 1 1 A 63 63 CYS C C 63 177.649 175.281 2.368 2
1 828 . 1 1 A 63 63 CYS CA C 63 56.460 57.331 -0.871 2
1 829 . 1 1 A 63 63 CYS CB C 63 29.400 30.658 -1.258 2
1 830 . 1 1 A 63 63 CYS N N 63 120.896 119.312 1.584 2
1 831 . 1 1 A 64 64 ARG H H 64 8.658 8.818 -0.160 2
1 832 . 1 1 A 64 64 ARG HA H 64 4.425 3.862 0.563 2
1 839 . 1 1 A 64 64 ARG C C 64 174.724 177.469 -2.745 2
1 840 . 1 1 A 64 64 ARG CA C 64 59.000 59.344 -0.344 2
1 841 . 1 1 A 64 64 ARG CB C 64 30.820 30.028 0.792 2
1 844 . 1 1 A 64 64 ARG N N 64 130.651 126.543 4.109 2
1 845 . 1 1 A 65 65 ALA H H 65 8.166 7.600 0.566 2
1 846 . 1 1 A 65 65 ALA HA H 65 5.399 4.522 0.877 2
1 850 . 1 1 A 65 65 ALA C C 65 177.909 177.364 0.545 2
1 851 . 1 1 A 65 65 ALA CA C 65 52.020 53.163 -1.143 2
1 852 . 1 1 A 65 65 ALA CB C 65 20.270 21.267 -0.997 2
1 853 . 1 1 A 65 65 ALA N N 65 118.548 119.167 -0.619 2
1 854 . 1 1 A 66 66 GLY H H 66 9.300 7.501 1.799 2
1 855 . 1 1 A 66 66 GLY HA2 H 66 4.872 4.072 0.800 2
1 856 . 1 1 A 66 66 GLY HA3 H 66 4.450 4.085 0.365 2
1 857 . 1 1 A 66 66 GLY C C 66 176.761 174.868 1.893 2
1 858 . 1 1 A 66 66 GLY CA C 66 46.630 45.536 1.094 2
1 859 . 1 1 A 66 66 GLY N N 66 114.644 106.293 8.351 2
1 860 . 1 1 A 67 67 ARG H H 67 8.118 8.056 0.062 2
1 861 . 1 1 A 67 67 ARG HA H 67 4.141 4.034 0.107 2
1 871 . 1 1 A 67 67 ARG C C 67 178.691 178.682 0.009 2
1 872 . 1 1 A 67 67 ARG CA C 67 60.930 58.670 2.260 2
1 873 . 1 1 A 67 67 ARG CB C 67 31.240 29.849 1.391 2
1 876 . 1 1 A 67 67 ARG N N 67 121.922 122.116 -0.194 2
1 879 . 1 1 A 68 68 ARG H H 68 9.366 7.778 1.588 2
1 880 . 1 1 A 68 68 ARG HA H 68 4.282 4.018 0.264 2
1 887 . 1 1 A 68 68 ARG C C 68 178.681 179.041 -0.360 2
1 888 . 1 1 A 68 68 ARG CA C 68 59.410 58.924 0.486 2
1 889 . 1 1 A 68 68 ARG CB C 68 30.760 29.669 1.091 2
1 892 . 1 1 A 68 68 ARG N N 68 123.821 119.018 4.803 2
1 893 . 1 1 A 69 69 ALA H H 69 10.112 8.106 2.006 2
1 894 . 1 1 A 69 69 ALA HA H 69 3.800 4.098 -0.297 2
1 898 . 1 1 A 69 69 ALA C C 69 178.334 179.828 -1.494 2
1 899 . 1 1 A 69 69 ALA CA C 69 55.960 55.225 0.735 2
1 900 . 1 1 A 69 69 ALA CB C 69 17.730 18.703 -0.973 2
1 901 . 1 1 A 69 69 ALA N N 69 125.465 122.142 3.323 2
1 902 . 1 1 A 70 70 LEU H H 70 7.746 7.794 -0.048 2
1 903 . 1 1 A 70 70 LEU HA H 70 3.340 3.127 0.213 2
1 913 . 1 1 A 70 70 LEU C C 70 177.996 177.881 0.115 2
1 914 . 1 1 A 70 70 LEU CA C 70 57.950 57.685 0.265 2
1 915 . 1 1 A 70 70 LEU CB C 70 40.720 41.533 -0.813 2
1 919 . 1 1 A 70 70 LEU N N 70 118.427 119.458 -1.031 2
1 920 . 1 1 A 71 71 ASP H H 71 7.662 8.402 -0.740 2
1 921 . 1 1 A 71 71 ASP HA H 71 4.236 4.176 0.060 2
1 924 . 1 1 A 71 71 ASP C C 71 179.560 178.198 1.362 2
1 925 . 1 1 A 71 71 ASP CA C 71 57.880 57.666 0.214 2
1 926 . 1 1 A 71 71 ASP CB C 71 40.340 41.409 -1.069 2
1 927 . 1 1 A 71 71 ASP N N 71 120.180 118.552 1.628 2
1 928 . 1 1 A 72 72 ALA H H 72 8.796 7.885 0.911 2
1 929 . 1 1 A 72 72 ALA HA H 72 4.101 4.045 0.056 2
1 933 . 1 1 A 72 72 ALA C C 72 179.203 179.616 -0.413 2
1 934 . 1 1 A 72 72 ALA CA C 72 54.670 55.040 -0.370 2
1 935 . 1 1 A 72 72 ALA CB C 72 18.490 18.073 0.417 2
1 936 . 1 1 A 72 72 ALA N N 72 122.299 121.209 1.090 2
1 937 . 1 1 A 73 73 ALA H H 73 8.672 7.738 0.934 2
1 938 . 1 1 A 73 73 ALA HA H 73 3.758 4.124 -0.366 2
1 942 . 1 1 A 73 73 ALA C C 73 179.251 179.685 -0.434 2
1 943 . 1 1 A 73 73 ALA CA C 73 55.950 55.120 0.830 2
1 944 . 1 1 A 73 73 ALA CB C 73 17.660 18.169 -0.509 2
1 945 . 1 1 A 73 73 ALA N N 73 121.294 120.086 1.208 2
1 946 . 1 1 A 74 74 LYS H H 74 8.914 8.036 0.878 2
1 947 . 1 1 A 74 74 LYS HA H 74 3.790 3.844 -0.054 2
1 956 . 1 1 A 74 74 LYS C C 74 179.589 179.476 0.113 2
1 957 . 1 1 A 74 74 LYS CA C 74 60.620 59.305 1.315 2
1 958 . 1 1 A 74 74 LYS CB C 74 32.330 32.259 0.071 2
1 962 . 1 1 A 74 74 LYS N N 74 119.404 117.928 1.476 2
1 963 . 1 1 A 75 75 SER H H 75 7.874 7.926 -0.052 2
1 964 . 1 1 A 75 75 SER HA H 75 4.272 4.120 0.152 2
1 967 . 1 1 A 75 75 SER C C 75 176.944 176.831 0.113 2
1 968 . 1 1 A 75 75 SER CA C 75 61.840 61.895 -0.055 2
1 969 . 1 1 A 75 75 SER CB C 75 62.990 62.729 0.261 2
1 970 . 1 1 A 75 75 SER N N 75 114.306 116.094 -1.788 2
1 971 . 1 1 A 76 76 MET H H 76 8.401 7.833 0.568 2
1 972 . 1 1 A 76 76 MET HA H 76 4.881 4.364 0.517 2
1 980 . 1 1 A 76 76 MET C C 76 179.811 178.818 0.993 2
1 981 . 1 1 A 76 76 MET CA C 76 56.060 58.521 -2.461 2
1 982 . 1 1 A 76 76 MET CB C 76 34.780 33.044 1.736 2
1 985 . 1 1 A 76 76 MET N N 76 119.510 119.856 -0.346 2
1 986 . 1 1 A 77 77 HIS H H 77 9.450 8.195 1.255 2
1 987 . 1 1 A 77 77 HIS HA H 77 5.148 4.753 0.395 2
1 992 . 1 1 A 77 77 HIS C C 77 181.596 177.920 3.676 2
1 993 . 1 1 A 77 77 HIS CA C 77 59.550 59.294 0.256 2
1 994 . 1 1 A 77 77 HIS CB C 77 30.720 29.670 1.050 2
1 997 . 1 1 A 77 77 HIS N N 77 123.245 117.833 5.412 2
1 998 . 1 1 A 78 78 GLU H H 78 7.832 8.135 -0.303 2
1 999 . 1 1 A 78 78 GLU HA H 78 4.159 4.102 0.057 2
1 1004 . 1 1 A 78 78 GLU C C 78 177.909 178.678 -0.769 2
1 1005 . 1 1 A 78 78 GLU CA C 78 59.110 59.054 0.056 2
1 1006 . 1 1 A 78 78 GLU CB C 78 29.380 29.236 0.144 2
1 1008 . 1 1 A 78 78 GLU N N 78 121.124 120.077 1.047 2
1 1009 . 1 1 A 79 79 LEU H H 79 7.161 7.367 -0.206 2
1 1010 . 1 1 A 79 79 LEU HA H 79 4.360 4.166 0.194 2
1 1020 . 1 1 A 79 79 LEU C C 79 176.934 176.693 0.241 2
1 1021 . 1 1 A 79 79 LEU CA C 79 54.820 55.531 -0.711 2
1 1022 . 1 1 A 79 79 LEU CB C 79 43.300 42.756 0.544 2
1 1026 . 1 1 A 79 79 LEU N N 79 116.655 118.170 -1.515 2
1 1027 . 1 1 A 80 80 GLY H H 80 7.545 7.535 0.011 2
1 1028 . 1 1 A 80 80 GLY HA2 H 80 4.101 3.811 0.290 2
1 1029 . 1 1 A 80 80 GLY HA3 H 80 3.580 3.901 -0.321 2
1 1030 . 1 1 A 80 80 GLY C C 80 174.116 174.266 -0.150 2
1 1031 . 1 1 A 80 80 GLY CA C 80 45.010 44.966 0.044 2
1 1032 . 1 1 A 80 80 GLY N N 80 105.216 105.525 -0.309 2
1 1033 . 1 1 A 81 81 TYR H H 81 7.519 7.590 -0.071 2
1 1034 . 1 1 A 81 81 TYR HA H 81 4.727 4.497 0.230 2
1 1041 . 1 1 A 81 81 TYR C C 81 174.377 174.943 -0.566 2
1 1042 . 1 1 A 81 81 TYR CA C 81 56.960 58.130 -1.171 2
1 1043 . 1 1 A 81 81 TYR CB C 81 40.310 39.273 1.037 2
1 1046 . 1 1 A 81 81 TYR N N 81 119.660 119.983 -0.323 2
1 1047 . 1 1 A 82 82 THR H H 82 8.786 8.739 0.047 2
1 1048 . 1 1 A 82 82 THR HA H 82 3.390 3.660 -0.270 2
1 1053 . 1 1 A 82 82 THR CA C 82 57.030 58.277 -1.247 2
1 1054 . 1 1 A 82 82 THR CB C 82 68.740 68.767 -0.027 2
1 1056 . 1 1 A 82 82 THR N N 82 105.368 113.716 -8.348 2
1 1057 . 1 1 A 83 83 PRO HA H 83 5.003 4.737 0.266 2
1 1064 . 1 1 A 83 83 PRO C C 83 175.699 176.395 -0.696 2
1 1065 . 1 1 A 83 83 PRO CA C 83 63.140 62.447 0.693 2
1 1066 . 1 1 A 83 83 PRO CB C 83 31.570 32.284 -0.714 2
1 1069 . 1 1 A 84 84 TYR H H 84 9.497 8.604 0.893 2
1 1070 . 1 1 A 84 84 TYR HA H 84 5.482 5.176 0.306 2
1 1077 . 1 1 A 84 84 TYR C C 84 175.506 175.272 0.234 2
1 1078 . 1 1 A 84 84 TYR CA C 84 57.570 57.833 -0.263 2
1 1079 . 1 1 A 84 84 TYR CB C 84 40.500 39.573 0.927 2
1 1082 . 1 1 A 84 84 TYR N N 84 119.880 120.461 -0.581 2
1 1083 . 1 1 A 85 85 TYR H H 85 8.570 8.425 0.145 2
1 1084 . 1 1 A 85 85 TYR HA H 85 5.730 5.582 0.148 2
1 1089 . 1 1 A 85 85 TYR C C 85 172.215 172.324 -0.109 2
1 1090 . 1 1 A 85 85 TYR CA C 85 55.240 56.009 -0.769 2
1 1091 . 1 1 A 85 85 TYR CB C 85 40.830 41.502 -0.672 2
1 1093 . 1 1 A 85 85 TYR N N 85 116.764 118.143 -1.379 2
1 1094 . 1 1 A 86 86 LEU H H 86 8.196 9.132 -0.936 2
1 1095 . 1 1 A 86 86 LEU HA H 86 4.881 5.130 -0.248 2
1 1105 . 1 1 A 86 86 LEU C C 86 177.552 174.754 2.798 2
1 1106 . 1 1 A 86 86 LEU CA C 86 53.376 53.767 -0.391 2
1 1107 . 1 1 A 86 86 LEU CB C 86 44.360 44.573 -0.213 2
1 1111 . 1 1 A 86 86 LEU N N 86 121.589 124.008 -2.419 2
1 1112 . 1 1 A 87 87 GLU H H 87 9.146 8.621 0.525 2
1 1113 . 1 1 A 87 87 GLU HA H 87 4.797 4.947 -0.150 2
1 1118 . 1 1 A 87 87 GLU C C 87 174.965 176.662 -1.697 2
1 1119 . 1 1 A 87 87 GLU CA C 87 55.405 55.743 -0.338 2
1 1120 . 1 1 A 87 87 GLU CB C 87 30.010 30.218 -0.208 2
1 1122 . 1 1 A 87 87 GLU N N 87 128.779 126.799 1.980 2
1 1123 . 1 1 A 88 88 GLY H H 88 7.349 8.214 -0.865 2
1 1124 . 1 1 A 88 88 GLY HA2 H 88 4.110 4.228 -0.118 2
1 1125 . 1 1 A 88 88 GLY HA3 H 88 4.023 4.304 -0.281 2
1 1126 . 1 1 A 88 88 GLY C C 88 170.593 171.963 -1.370 2
1 1127 . 1 1 A 88 88 GLY CA C 88 44.970 45.888 -0.918 2
1 1128 . 1 1 A 88 88 GLY N N 88 112.564 110.991 1.573 2
1 1129 . 1 1 A 89 89 ASN H H 89 8.756 8.619 0.137 2
1 1130 . 1 1 A 89 89 ASN HA H 89 5.722 5.208 0.514 2
1 1135 . 1 1 A 89 89 ASN C C 89 176.336 176.072 0.264 2
1 1136 . 1 1 A 89 89 ASN CA C 89 52.210 53.772 -1.562 2
1 1137 . 1 1 A 89 89 ASN CB C 89 40.950 38.784 2.166 2
1 1138 . 1 1 A 89 89 ASN N N 89 121.363 119.378 1.985 2
1 1140 . 1 1 A 90 90 VAL H H 90 8.928 8.279 0.649 2
1 1141 . 1 1 A 90 90 VAL HA H 90 4.425 2.134 2.291 2
1 1149 . 1 1 A 90 90 VAL C C 90 175.660 176.523 -0.863 2
1 1150 . 1 1 A 90 90 VAL CA C 90 58.930 64.028 -5.098 2
1 1151 . 1 1 A 90 90 VAL CB C 90 30.860 31.414 -0.554 2
1 1154 . 1 1 A 90 90 VAL N N 90 128.990 125.767 3.223 2
1 1155 . 1 1 A 91 91 TYR H H 91 8.330 7.557 0.773 2
1 1156 . 1 1 A 91 91 TYR HA H 91 4.016 4.286 -0.270 2
1 1163 . 1 1 A 91 91 TYR C C 91 175.718 177.452 -1.734 2
1 1164 . 1 1 A 91 91 TYR CA C 91 61.700 61.533 0.167 2
1 1165 . 1 1 A 91 91 TYR CB C 91 36.580 37.618 -1.038 2
1 1168 . 1 1 A 91 91 TYR N N 91 119.510 119.535 -0.025 2
1 1169 . 1 1 A 92 92 ASP H H 92 8.654 7.865 0.789 2
1 1170 . 1 1 A 92 92 ASP HA H 92 5.146 4.788 0.358 2
1 1173 . 1 1 A 92 92 ASP C C 92 177.224 178.601 -1.377 2
1 1174 . 1 1 A 92 92 ASP CA C 92 54.290 55.699 -1.409 2
1 1175 . 1 1 A 92 92 ASP CB C 92 42.670 40.979 1.691 2
1 1176 . 1 1 A 92 92 ASP N N 92 117.541 120.339 -2.798 2
1 1177 . 1 1 A 93 93 PHE H H 93 7.673 7.553 0.120 2
1 1178 . 1 1 A 93 93 PHE HA H 93 4.688 4.477 0.211 2
1 1186 . 1 1 A 93 93 PHE C C 93 179.270 178.516 0.754 2
1 1187 . 1 1 A 93 93 PHE CA C 93 60.340 61.814 -1.474 2
1 1188 . 1 1 A 93 93 PHE CB C 93 36.010 38.564 -2.554 2
1 1192 . 1 1 A 93 93 PHE N N 93 123.205 117.877 5.328 2
1 1193 . 1 1 A 94 94 GLU H H 94 9.164 8.527 0.637 2
1 1194 . 1 1 A 94 94 GLU HA H 94 4.676 4.345 0.331 2
1 1199 . 1 1 A 94 94 GLU C C 94 180.805 179.159 1.646 2
1 1200 . 1 1 A 94 94 GLU CA C 94 59.240 60.010 -0.770 2
1 1201 . 1 1 A 94 94 GLU CB C 94 29.640 29.429 0.211 2
1 1203 . 1 1 A 94 94 GLU N N 94 118.657 119.228 -0.571 2
1 1204 . 1 1 A 95 95 LYS H H 95 8.005 8.387 -0.382 2
1 1205 . 1 1 A 95 95 LYS HA H 95 4.103 4.204 -0.101 2
1 1214 . 1 1 A 95 95 LYS C C 95 177.948 177.684 0.264 2
1 1215 . 1 1 A 95 95 LYS CA C 95 58.680 58.794 -0.114 2
1 1216 . 1 1 A 95 95 LYS CB C 95 31.690 31.815 -0.125 2
1 1220 . 1 1 A 95 95 LYS N N 95 121.494 119.047 2.447 2
1 1221 . 1 1 A 96 96 TYR H H 96 7.710 7.833 -0.123 2
1 1222 . 1 1 A 96 96 TYR HA H 96 4.332 4.601 -0.269 2
1 1229 . 1 1 A 96 96 TYR C C 96 174.550 175.706 -1.156 2
1 1230 . 1 1 A 96 96 TYR CA C 96 59.370 58.462 0.908 2
1 1231 . 1 1 A 96 96 TYR CB C 96 38.340 38.879 -0.539 2
1 1234 . 1 1 A 96 96 TYR N N 96 117.421 118.664 -1.243 2
1 1235 . 1 1 A 97 97 GLY H H 97 7.796 7.835 -0.039 2
1 1236 . 1 1 A 97 97 GLY HA2 H 97 3.966 3.832 0.134 2
1 1237 . 1 1 A 97 97 GLY HA3 H 97 3.580 3.974 -0.394 2
1 1238 . 1 1 A 97 97 GLY C C 97 173.662 174.268 -0.606 2
1 1239 . 1 1 A 97 97 GLY CA C 97 45.160 45.192 -0.032 2
1 1240 . 1 1 A 97 97 GLY N N 97 105.806 107.086 -1.280 2
1 1241 . 1 1 A 98 98 PHE H H 98 7.323 7.834 -0.511 2
1 1242 . 1 1 A 98 98 PHE HA H 98 4.644 4.617 0.027 2
1 1250 . 1 1 A 98 98 PHE C C 98 173.353 175.363 -2.010 2
1 1251 . 1 1 A 98 98 PHE CA C 98 57.490 57.989 -0.499 2
1 1252 . 1 1 A 98 98 PHE CB C 98 38.550 39.841 -1.291 2
1 1256 . 1 1 A 98 98 PHE N N 98 120.718 119.150 1.568 2
1 1257 . 1 1 A 99 99 ARG H H 99 7.903 8.644 -0.741 2
1 1258 . 1 1 A 99 99 ARG HA H 99 4.283 4.354 -0.071 2
1 1265 . 1 1 A 99 99 ARG C C 99 175.680 175.688 -0.008 2
1 1266 . 1 1 A 99 99 ARG CA C 99 56.320 56.630 -0.310 2
1 1267 . 1 1 A 99 99 ARG CB C 99 30.610 30.751 -0.141 2
1 1270 . 1 1 A 99 99 ARG N N 99 122.817 124.388 -1.571 2
1 1271 . 1 1 A 100 100 MET H H 100 8.133 8.796 -0.663 2
1 1272 . 1 1 A 100 100 MET HA H 100 4.843 4.955 -0.112 2
1 1280 . 1 1 A 100 100 MET C C 100 175.255 174.164 1.091 2
1 1281 . 1 1 A 100 100 MET CA C 100 52.343 54.255 -1.912 2
1 1282 . 1 1 A 100 100 MET CB C 100 34.410 37.246 -2.836 2
1 1285 . 1 1 A 100 100 MET N N 100 121.483 122.455 -0.972 2
1 1286 . 1 1 A 101 101 VAL H H 101 8.471 8.532 -0.061 2
1 1287 . 1 1 A 101 101 VAL HA H 101 3.890 4.613 -0.723 2
1 1295 . 1 1 A 101 101 VAL C C 101 175.351 174.790 0.561 2
1 1296 . 1 1 A 101 101 VAL CA C 101 61.500 61.158 0.342 2
1 1297 . 1 1 A 101 101 VAL CB C 101 31.730 32.544 -0.814 2
1 1300 . 1 1 A 101 101 VAL N N 101 119.940 121.329 -1.389 2
1 1301 . 1 1 A 102 102 TYR H H 102 8.612 8.928 -0.316 2
1 1302 . 1 1 A 102 102 TYR HA H 102 4.938 4.964 -0.026 2
1 1309 . 1 1 A 102 102 TYR C C 102 175.892 175.661 0.231 2
1 1310 . 1 1 A 102 102 TYR CA C 102 57.140 57.225 -0.085 2
1 1311 . 1 1 A 102 102 TYR CB C 102 40.990 40.495 0.495 2
1 1314 . 1 1 A 102 102 TYR N N 102 126.390 126.326 0.064 2
1 1315 . 1 1 A 103 103 ASP H H 103 8.071 8.991 -0.920 2
1 1316 . 1 1 A 103 103 ASP HA H 103 4.621 4.391 0.230 2
1 1319 . 1 1 A 103 103 ASP C C 103 176.220 175.765 0.455 2
1 1320 . 1 1 A 103 103 ASP CA C 103 55.050 55.078 -0.028 2
1 1321 . 1 1 A 103 103 ASP CB C 103 40.220 39.468 0.752 2
1 1322 . 1 1 A 103 103 ASP N N 103 120.738 121.801 -1.063 2
1 1323 . 1 1 A 104 104 ASP H H 104 8.642 7.903 0.739 2
1 1324 . 1 1 A 104 104 ASP HA H 104 4.730 4.609 0.121 2
1 1327 . 1 1 A 104 104 ASP C C 104 176.095 176.779 -0.684 2
1 1328 . 1 1 A 104 104 ASP CA C 104 53.510 54.896 -1.386 2
1 1329 . 1 1 A 104 104 ASP CB C 104 41.060 40.765 0.295 2
1 1330 . 1 1 A 104 104 ASP N N 104 121.582 119.522 2.060 2
1 1331 . 1 1 A 105 105 THR H H 105 8.119 7.774 0.345 2
1 1332 . 1 1 A 105 105 THR HA H 105 4.389 4.181 0.208 2
1 1337 . 1 1 A 105 105 THR C C 105 173.508 174.574 -1.066 2
1 1338 . 1 1 A 105 105 THR CA C 105 61.580 64.291 -2.711 2
1 1339 . 1 1 A 105 105 THR CB C 105 69.840 68.922 0.918 2
1 1341 . 1 1 A 105 105 THR N N 105 113.632 114.523 -0.891 2
1 1342 . 1 1 A 106 106 CYS H H 106 8.013 8.011 0.002 2
1 1343 . 1 1 A 106 106 CYS N N 106 129.098 119.965 9.133 2
1 1344 . 1 1 A 107 107 ASP HA H 107 4.606 4.812 -0.206 2
1 1347 . 1 1 A 107 107 ASP C C 107 176.075 175.670 0.405 2
1 1348 . 1 1 A 107 107 ASP CA C 107 54.790 53.956 0.834 2
1 1349 . 1 1 A 107 107 ASP CB C 107 40.990 42.082 -1.092 2
1 1350 . 1 1 A 108 108 LYS H H 108 8.216 8.587 -0.371 2
1 1351 . 1 1 A 108 108 LYS HA H 108 4.326 4.393 -0.067 2
1 1360 . 1 1 A 108 108 LYS C C 108 176.490 176.064 0.426 2
1 1361 . 1 1 A 108 108 LYS CA C 108 56.140 57.281 -1.141 2
1 1362 . 1 1 A 108 108 LYS CB C 108 32.910 33.328 -0.418 2
1 1366 . 1 1 A 108 108 LYS N N 108 121.982 122.954 -0.972 2
1 1367 . 1 1 A 109 109 LYS H H 109 8.411 7.855 0.556 2
1 1368 . 1 1 A 109 109 LYS HA H 109 4.344 4.476 -0.132 2
1 1377 . 1 1 A 109 109 LYS C C 109 175.583 175.346 0.237 2
1 1378 . 1 1 A 109 109 LYS CA C 109 56.150 56.292 -0.142 2
1 1379 . 1 1 A 109 109 LYS CB C 109 33.050 32.987 0.063 2
1 1383 . 1 1 A 109 109 LYS N N 109 122.966 118.209 4.757 2
stop_
save_