data_15633_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15633
_Entry.PDB_ID 2K01
_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 3 . 1 1 1 A 4 4 PRO HA H 2 4.490 4.857 -0.367 1
1 10 . 1 1 1 A 4 4 PRO C C 2 177.102 175.939 1.163 1
1 11 . 1 1 1 A 4 4 PRO CA C 2 63.319 62.185 1.134 1
1 12 . 1 1 1 A 4 4 PRO CB C 2 32.575 30.356 2.219 1
1 15 . 1 1 1 A 5 5 VAL H H 3 8.259 8.352 -0.093 1
1 16 . 1 1 1 A 5 5 VAL HA H 3 4.117 4.731 -0.614 1
1 24 . 1 1 1 A 5 5 VAL C C 3 176.385 174.981 1.404 1
1 25 . 1 1 1 A 5 5 VAL CA C 3 62.629 60.548 2.081 1
1 26 . 1 1 1 A 5 5 VAL CB C 3 33.146 33.004 0.142 1
1 29 . 1 1 1 A 5 5 VAL N N 3 120.806 117.534 3.272 1
1 30 . 1 1 1 A 6 6 SER H H 4 8.345 8.719 -0.374 1
1 31 . 1 1 1 A 6 6 SER HA H 4 4.479 5.242 -0.763 1
1 34 . 1 1 1 A 6 6 SER C C 4 174.687 173.576 1.111 1
1 35 . 1 1 1 A 6 6 SER CA C 4 58.340 57.151 1.189 1
1 36 . 1 1 1 A 6 6 SER CB C 4 64.208 64.392 -0.184 1
1 37 . 1 1 1 A 6 6 SER N N 4 119.332 122.097 -2.765 1
1 38 . 1 1 1 A 7 7 LEU H H 5 8.334 8.840 -0.506 1
1 39 . 1 1 1 A 7 7 LEU HA H 5 4.384 5.074 -0.690 1
1 45 . 1 1 1 A 7 7 LEU C C 5 177.424 174.458 2.966 1
1 46 . 1 1 1 A 7 7 LEU CA C 5 55.495 53.711 1.784 1
1 47 . 1 1 1 A 7 7 LEU CB C 5 42.786 46.616 -3.830 1
1 49 . 1 1 1 A 7 7 LEU N N 5 124.942 127.470 -2.528 1
1 50 . 1 1 1 A 8 8 SER H H 6 8.198 8.832 -0.634 1
1 51 . 1 1 1 A 8 8 SER HA H 6 4.407 4.917 -0.510 1
1 54 . 1 1 1 A 8 8 SER C C 6 174.306 174.753 -0.447 1
1 55 . 1 1 1 A 8 8 SER CA C 6 58.696 57.124 1.572 1
1 56 . 1 1 1 A 8 8 SER CB C 6 64.136 65.686 -1.550 1
1 57 . 1 1 1 A 8 8 SER N N 6 116.070 119.818 -3.748 1
1 58 . 1 1 1 A 9 9 TYR H H 7 8.005 8.530 -0.525 1
1 59 . 1 1 1 A 9 9 TYR HA H 7 4.547 4.153 0.394 1
1 66 . 1 1 1 A 9 9 TYR C C 7 175.507 174.940 0.567 1
1 67 . 1 1 1 A 9 9 TYR CA C 7 58.236 62.119 -3.883 1
1 68 . 1 1 1 A 9 9 TYR CB C 7 39.144 36.353 2.791 1
1 71 . 1 1 1 A 9 9 TYR N N 7 122.102 118.123 3.979 1
1 72 . 1 1 1 A 10 10 ARG H H 8 8.142 8.068 0.074 1
1 73 . 1 1 1 A 10 10 ARG HA H 8 4.302 4.551 -0.249 1
1 80 . 1 1 1 A 10 10 ARG C C 8 175.946 175.747 0.199 1
1 81 . 1 1 1 A 10 10 ARG CA C 8 56.102 55.653 0.449 1
1 82 . 1 1 1 A 10 10 ARG CB C 8 31.004 31.220 -0.216 1
1 85 . 1 1 1 A 10 10 ARG N N 8 122.105 121.026 1.079 1
1 86 . 1 1 1 A 11 11 CYS H H 9 8.185 8.685 -0.500 1
1 87 . 1 1 1 A 11 11 CYS HA H 9 4.952 5.084 -0.132 1
1 90 . 1 1 1 A 11 11 CYS CA C 9 53.192 54.749 -1.557 1
1 91 . 1 1 1 A 11 11 CYS CB C 9 40.250 43.223 -2.973 1
1 92 . 1 1 1 A 11 11 CYS N N 9 121.511 125.677 -4.166 1
1 93 . 1 1 1 A 12 12 PRO HA H 10 4.315 4.308 0.007 1
1 100 . 1 1 1 A 12 12 PRO C C 10 177.980 176.570 1.410 1
1 101 . 1 1 1 A 12 12 PRO CA C 10 65.345 65.075 0.270 1
1 102 . 1 1 1 A 12 12 PRO CB C 10 32.575 31.414 1.161 1
1 105 . 1 1 1 A 13 13 CYS H H 11 8.719 8.261 0.458 1
1 106 . 1 1 1 A 13 13 CYS N N 11 115.047 116.525 -1.478 1
1 107 . 1 1 1 A 14 14 ARG HA H 12 4.028 4.376 -0.348 1
1 114 . 1 1 1 A 14 14 ARG C C 12 175.097 176.451 -1.354 1
1 115 . 1 1 1 A 14 14 ARG CA C 12 57.503 57.240 0.263 1
1 116 . 1 1 1 A 14 14 ARG CB C 12 31.289 31.125 0.164 1
1 119 . 1 1 1 A 15 15 PHE H H 13 7.607 8.133 -0.526 1
1 120 . 1 1 1 A 15 15 PHE HA H 13 4.497 5.102 -0.605 1
1 127 . 1 1 1 A 15 15 PHE C C 13 174.292 175.357 -1.065 1
1 128 . 1 1 1 A 15 15 PHE CA C 13 56.060 56.677 -0.617 1
1 129 . 1 1 1 A 15 15 PHE CB C 13 41.122 41.582 -0.460 1
1 132 . 1 1 1 A 15 15 PHE N N 13 116.487 115.758 0.729 1
1 133 . 1 1 1 A 16 16 PHE H H 14 8.202 9.138 -0.936 1
1 134 . 1 1 1 A 16 16 PHE HA H 14 4.793 5.687 -0.894 1
1 141 . 1 1 1 A 16 16 PHE C C 14 175.433 173.237 2.196 1
1 142 . 1 1 1 A 16 16 PHE CA C 14 55.516 55.226 0.290 1
1 143 . 1 1 1 A 16 16 PHE CB C 14 41.096 42.514 -1.418 1
1 146 . 1 1 1 A 16 16 PHE N N 14 119.591 117.822 1.769 1
1 147 . 1 1 1 A 17 17 GLU H H 15 8.749 9.514 -0.765 1
1 148 . 1 1 1 A 17 17 GLU HA H 15 4.579 4.240 0.339 1
1 153 . 1 1 1 A 17 17 GLU C C 15 176.809 177.119 -0.310 1
1 154 . 1 1 1 A 17 17 GLU CA C 15 56.395 56.640 -0.245 1
1 155 . 1 1 1 A 17 17 GLU CB C 15 30.932 30.149 0.783 1
1 157 . 1 1 1 A 17 17 GLU N N 15 122.719 122.044 0.675 1
1 158 . 1 1 1 A 18 18 SER H H 16 8.764 8.510 0.254 1
1 159 . 1 1 1 A 18 18 SER HA H 16 4.697 4.963 -0.266 1
1 162 . 1 1 1 A 18 18 SER CA C 16 59.637 57.691 1.946 1
1 163 . 1 1 1 A 18 18 SER CB C 16 64.708 64.209 0.499 1
1 164 . 1 1 1 A 18 18 SER N N 16 118.765 119.446 -0.681 1
1 165 . 1 1 1 A 19 19 HIS H H 17 8.617 8.291 0.326 1
1 166 . 1 1 1 A 19 19 HIS HA H 17 4.770 4.729 0.041 1
1 171 . 1 1 1 A 19 19 HIS C C 17 174.658 174.790 -0.132 1
1 172 . 1 1 1 A 19 19 HIS CA C 17 56.750 55.837 0.913 1
1 173 . 1 1 1 A 19 19 HIS CB C 17 29.718 30.109 -0.391 1
1 176 . 1 1 1 A 19 19 HIS N N 17 119.651 120.929 -1.278 1
1 177 . 1 1 1 A 20 20 VAL H H 18 7.360 7.597 -0.237 1
1 178 . 1 1 1 A 20 20 VAL HA H 18 4.100 3.894 0.206 1
1 186 . 1 1 1 A 20 20 VAL C C 18 174.424 174.634 -0.210 1
1 187 . 1 1 1 A 20 20 VAL CA C 18 62.252 63.053 -0.801 1
1 188 . 1 1 1 A 20 20 VAL CB C 18 34.146 32.476 1.670 1
1 191 . 1 1 1 A 20 20 VAL N N 18 121.352 120.727 0.625 1
1 192 . 1 1 1 A 21 21 ALA H H 19 8.570 8.053 0.517 1
1 193 . 1 1 1 A 21 21 ALA HA H 19 4.345 4.832 -0.487 1
1 197 . 1 1 1 A 21 21 ALA C C 19 177.570 177.684 -0.114 1
1 198 . 1 1 1 A 21 21 ALA CA C 19 50.997 51.084 -0.087 1
1 199 . 1 1 1 A 21 21 ALA CB C 19 19.579 22.073 -2.494 1
1 200 . 1 1 1 A 21 21 ALA N N 19 131.401 131.080 0.321 1
1 201 . 1 1 1 A 22 22 ARG H H 20 7.838 8.015 -0.177 1
1 202 . 1 1 1 A 22 22 ARG HA H 20 2.545 3.173 -0.628 1
1 209 . 1 1 1 A 22 22 ARG C C 20 178.258 177.327 0.931 1
1 210 . 1 1 1 A 22 22 ARG CA C 20 59.407 58.539 0.868 1
1 211 . 1 1 1 A 22 22 ARG CB C 20 29.433 29.164 0.269 1
1 214 . 1 1 1 A 22 22 ARG N N 20 124.465 122.601 1.864 1
1 215 . 1 1 1 A 23 23 ALA H H 21 8.203 7.747 0.456 1
1 216 . 1 1 1 A 23 23 ALA HA H 21 4.069 4.008 0.061 1
1 220 . 1 1 1 A 23 23 ALA C C 21 177.995 179.429 -1.434 1
1 221 . 1 1 1 A 23 23 ALA CA C 21 54.000 54.173 -0.173 1
1 222 . 1 1 1 A 23 23 ALA CB C 21 18.722 18.000 0.722 1
1 223 . 1 1 1 A 23 23 ALA N N 21 117.242 121.193 -3.951 1
1 224 . 1 1 1 A 24 24 ASN H H 22 7.739 7.879 -0.140 1
1 225 . 1 1 1 A 24 24 ASN HA H 22 4.988 4.666 0.322 1
1 230 . 1 1 1 A 24 24 ASN C C 22 174.848 175.588 -0.740 1
1 231 . 1 1 1 A 24 24 ASN CA C 22 52.509 54.971 -2.462 1
1 232 . 1 1 1 A 24 24 ASN CB C 22 40.358 39.240 1.118 1
1 233 . 1 1 1 A 24 24 ASN N N 22 112.861 116.144 -3.283 1
1 235 . 1 1 1 A 25 25 VAL H H 23 7.524 7.437 0.087 1
1 236 . 1 1 1 A 25 25 VAL HA H 23 4.272 4.214 0.058 1
1 244 . 1 1 1 A 25 25 VAL C C 23 175.755 175.324 0.431 1
1 245 . 1 1 1 A 25 25 VAL CA C 23 62.859 63.367 -0.508 1
1 246 . 1 1 1 A 25 25 VAL CB C 23 33.432 31.833 1.599 1
1 249 . 1 1 1 A 25 25 VAL N N 23 119.883 118.989 0.894 1
1 250 . 1 1 1 A 26 26 LYS H H 24 9.527 9.478 0.049 1
1 251 . 1 1 1 A 26 26 LYS HA H 24 4.298 4.349 -0.051 1
1 260 . 1 1 1 A 26 26 LYS C C 24 176.634 176.690 -0.056 1
1 261 . 1 1 1 A 26 26 LYS CA C 24 58.989 57.894 1.095 1
1 262 . 1 1 1 A 26 26 LYS CB C 24 34.390 33.044 1.346 1
1 266 . 1 1 1 A 26 26 LYS N N 24 128.312 127.764 0.548 1
1 267 . 1 1 1 A 27 27 HIS H H 25 7.214 7.539 -0.325 1
1 268 . 1 1 1 A 27 27 HIS HA H 25 4.965 5.274 -0.309 1
1 273 . 1 1 1 A 27 27 HIS C C 25 172.740 172.662 0.078 1
1 274 . 1 1 1 A 27 27 HIS CA C 25 55.328 54.867 0.461 1
1 275 . 1 1 1 A 27 27 HIS CB C 25 32.882 31.300 1.582 1
1 278 . 1 1 1 A 27 27 HIS N N 25 109.505 114.072 -4.567 1
1 279 . 1 1 1 A 28 28 LEU H H 26 8.066 8.812 -0.746 1
1 280 . 1 1 1 A 28 28 LEU HA H 26 5.156 5.712 -0.556 1
1 290 . 1 1 1 A 28 28 LEU C C 26 175.346 175.447 -0.101 1
1 291 . 1 1 1 A 28 28 LEU CA C 26 53.466 53.293 0.173 1
1 292 . 1 1 1 A 28 28 LEU CB C 26 45.200 45.181 0.019 1
1 296 . 1 1 1 A 28 28 LEU N N 26 116.963 119.922 -2.959 1
1 297 . 1 1 1 A 29 29 LYS H H 27 9.549 9.159 0.390 1
1 298 . 1 1 1 A 29 29 LYS HA H 27 5.353 5.218 0.135 1
1 307 . 1 1 1 A 29 29 LYS C C 27 174.716 174.612 0.104 1
1 308 . 1 1 1 A 29 29 LYS CA C 27 55.118 54.788 0.330 1
1 309 . 1 1 1 A 29 29 LYS CB C 27 35.144 35.721 -0.577 1
1 313 . 1 1 1 A 29 29 LYS N N 27 123.299 122.806 0.493 1
1 314 . 1 1 1 A 30 30 ILE H H 28 9.140 8.995 0.145 1
1 315 . 1 1 1 A 30 30 ILE HA H 28 4.910 5.162 -0.252 1
1 325 . 1 1 1 A 30 30 ILE C C 28 176.970 175.415 1.555 1
1 326 . 1 1 1 A 30 30 ILE CA C 28 60.390 59.501 0.889 1
1 327 . 1 1 1 A 30 30 ILE CB C 28 39.603 38.392 1.211 1
1 331 . 1 1 1 A 30 30 ILE N N 28 123.823 127.906 -4.083 1
1 332 . 1 1 1 A 31 31 LEU H H 29 8.866 9.099 -0.233 1
1 333 . 1 1 1 A 31 31 LEU HA H 29 4.580 4.526 0.054 1
1 342 . 1 1 1 A 31 31 LEU C C 29 175.975 176.525 -0.550 1
1 343 . 1 1 1 A 31 31 LEU CA C 29 55.474 54.051 1.423 1
1 344 . 1 1 1 A 31 31 LEU CB C 29 42.749 42.470 0.279 1
1 347 . 1 1 1 A 31 31 LEU N N 29 128.835 129.116 -0.281 1
1 348 . 1 1 1 A 32 32 ASN H H 30 8.211 8.657 -0.446 1
1 349 . 1 1 1 A 32 32 ASN HA H 30 4.998 4.988 0.010 1
1 354 . 1 1 1 A 32 32 ASN C C 30 174.658 174.259 0.399 1
1 355 . 1 1 1 A 32 32 ASN CA C 30 52.524 52.036 0.488 1
1 356 . 1 1 1 A 32 32 ASN CB C 30 38.978 39.400 -0.422 1
1 357 . 1 1 1 A 32 32 ASN N N 30 120.696 121.324 -0.628 1
1 359 . 1 1 1 A 33 33 THR H H 31 7.925 8.182 -0.257 1
1 360 . 1 1 1 A 33 33 THR HA H 31 4.784 5.059 -0.275 1
1 365 . 1 1 1 A 33 33 THR CA C 31 58.046 58.292 -0.246 1
1 366 . 1 1 1 A 33 33 THR CB C 31 70.341 70.729 -0.388 1
1 368 . 1 1 1 A 33 33 THR N N 31 116.303 117.368 -1.065 1
1 369 . 1 1 1 A 34 34 PRO HA H 32 4.300 4.428 -0.128 1
1 376 . 1 1 1 A 34 34 PRO C C 32 176.765 176.535 0.230 1
1 377 . 1 1 1 A 34 34 PRO CA C 32 65.164 64.323 0.841 1
1 378 . 1 1 1 A 34 34 PRO CB C 32 32.484 31.908 0.576 1
1 381 . 1 1 1 A 35 35 ASN H H 33 8.294 7.926 0.368 1
1 382 . 1 1 1 A 35 35 ASN C C 33 174.541 172.956 1.585 1
1 383 . 1 1 1 A 35 35 ASN N N 33 120.212 114.086 6.126 1
1 384 . 1 1 1 A 36 36 CYS H H 34 7.561 8.100 -0.539 1
1 385 . 1 1 1 A 36 36 CYS HA H 34 4.884 4.931 -0.047 1
1 388 . 1 1 1 A 36 36 CYS C C 34 173.838 172.419 1.419 1
1 389 . 1 1 1 A 36 36 CYS CA C 34 55.139 55.084 0.055 1
1 390 . 1 1 1 A 36 36 CYS CB C 34 45.200 47.257 -2.057 1
1 391 . 1 1 1 A 36 36 CYS N N 34 116.986 123.047 -6.061 1
1 392 . 1 1 1 A 37 37 ALA H H 35 8.520 8.493 0.027 1
1 393 . 1 1 1 A 37 37 ALA HA H 35 4.233 4.356 -0.123 1
1 397 . 1 1 1 A 37 37 ALA C C 35 176.326 177.117 -0.791 1
1 398 . 1 1 1 A 37 37 ALA CA C 35 53.152 51.798 1.354 1
1 399 . 1 1 1 A 37 37 ALA CB C 35 18.930 19.749 -0.819 1
1 400 . 1 1 1 A 37 37 ALA N N 35 125.167 124.596 0.571 1
1 401 . 1 1 1 A 38 38 CYS H H 36 8.343 8.344 -0.001 1
1 402 . 1 1 1 A 38 38 CYS HA H 36 4.213 4.205 0.008 1
1 405 . 1 1 1 A 38 38 CYS C C 36 173.589 174.065 -0.476 1
1 406 . 1 1 1 A 38 38 CYS CA C 36 58.487 59.658 -1.171 1
1 407 . 1 1 1 A 38 38 CYS CB C 36 45.702 27.825 17.877 1
1 408 . 1 1 1 A 38 38 CYS N N 36 118.786 118.982 -0.196 1
1 409 . 1 1 1 A 39 39 GLN H H 37 8.988 8.638 0.350 1
1 410 . 1 1 1 A 39 39 GLN HA H 37 4.573 4.674 -0.101 1
1 417 . 1 1 1 A 39 39 GLN C C 37 173.545 174.907 -1.362 1
1 418 . 1 1 1 A 39 39 GLN CA C 37 54.491 55.722 -1.231 1
1 419 . 1 1 1 A 39 39 GLN CB C 37 31.876 29.549 2.327 1
1 421 . 1 1 1 A 39 39 GLN N N 37 128.825 127.468 1.357 1
1 423 . 1 1 1 A 40 40 ILE H H 38 8.967 8.913 0.054 1
1 424 . 1 1 1 A 40 40 ILE HA H 38 5.095 4.990 0.105 1
1 434 . 1 1 1 A 40 40 ILE C C 38 174.336 174.421 -0.085 1
1 435 . 1 1 1 A 40 40 ILE CA C 38 60.620 59.997 0.623 1
1 436 . 1 1 1 A 40 40 ILE CB C 38 40.235 40.955 -0.720 1
1 440 . 1 1 1 A 40 40 ILE N N 38 124.006 125.040 -1.034 1
1 441 . 1 1 1 A 41 41 VAL H H 39 9.130 9.389 -0.259 1
1 442 . 1 1 1 A 41 41 VAL HA H 39 4.926 4.684 0.242 1
1 450 . 1 1 1 A 41 41 VAL C C 39 175.492 174.438 1.054 1
1 451 . 1 1 1 A 41 41 VAL CA C 39 59.993 61.149 -1.156 1
1 452 . 1 1 1 A 41 41 VAL CB C 39 35.270 34.026 1.244 1
1 455 . 1 1 1 A 41 41 VAL N N 39 125.973 128.476 -2.503 1
1 456 . 1 1 1 A 42 42 ALA H H 40 9.558 9.332 0.226 1
1 457 . 1 1 1 A 42 42 ALA HA H 40 5.123 5.252 -0.129 1
1 461 . 1 1 1 A 42 42 ALA C C 40 175.931 175.179 0.752 1
1 462 . 1 1 1 A 42 42 ALA CA C 40 50.558 50.129 0.429 1
1 463 . 1 1 1 A 42 42 ALA CB C 40 22.072 21.360 0.712 1
1 464 . 1 1 1 A 42 42 ALA N N 40 128.264 129.166 -0.902 1
1 465 . 1 1 1 A 43 43 ARG H H 41 7.707 8.732 -1.025 1
1 466 . 1 1 1 A 43 43 ARG HA H 41 4.966 4.865 0.101 1
1 473 . 1 1 1 A 43 43 ARG C C 41 175.477 175.184 0.293 1
1 474 . 1 1 1 A 43 43 ARG CA C 41 54.000 54.782 -0.782 1
1 475 . 1 1 1 A 43 43 ARG CB C 41 31.122 32.152 -1.030 1
1 478 . 1 1 1 A 43 43 ARG N N 41 121.647 124.182 -2.535 1
1 479 . 1 1 1 A 44 44 LEU H H 42 9.183 8.823 0.360 1
1 480 . 1 1 1 A 44 44 LEU HA H 42 5.009 5.064 -0.055 1
1 490 . 1 1 1 A 44 44 LEU C C 42 177.848 177.086 0.762 1
1 491 . 1 1 1 A 44 44 LEU CA C 42 54.596 53.629 0.967 1
1 492 . 1 1 1 A 44 44 LEU CB C 42 41.806 43.322 -1.516 1
1 496 . 1 1 1 A 44 44 LEU N N 42 128.821 128.160 0.661 1
1 497 . 1 1 1 A 45 45 LYS H H 43 8.449 8.652 -0.203 1
1 498 . 1 1 1 A 45 45 LYS N N 43 119.659 121.432 -1.773 1
1 499 . 1 1 1 A 48 48 ASN HA H 46 4.716 5.047 -0.331 1
1 504 . 1 1 1 A 48 48 ASN C C 46 175.155 174.997 0.158 1
1 505 . 1 1 1 A 48 48 ASN CA C 46 54.616 52.049 2.567 1
1 506 . 1 1 1 A 48 48 ASN CB C 46 39.292 40.158 -0.866 1
1 508 . 1 1 1 A 49 49 ARG H H 47 7.926 8.431 -0.505 1
1 509 . 1 1 1 A 49 49 ARG HA H 47 4.274 4.705 -0.431 1
1 516 . 1 1 1 A 49 49 ARG C C 47 175.433 174.816 0.617 1
1 517 . 1 1 1 A 49 49 ARG CA C 47 57.252 54.215 3.037 1
1 518 . 1 1 1 A 49 49 ARG CB C 47 32.128 31.381 0.747 1
1 521 . 1 1 1 A 49 49 ARG N N 47 120.086 118.595 1.491 1
1 522 . 1 1 1 A 50 50 GLN H H 48 8.542 8.540 0.002 1
1 523 . 1 1 1 A 50 50 GLN HA H 48 5.478 4.976 0.502 1
1 528 . 1 1 1 A 50 50 GLN C C 48 175.697 175.397 0.300 1
1 529 . 1 1 1 A 50 50 GLN CA C 48 55.077 54.971 0.106 1
1 530 . 1 1 1 A 50 50 GLN CB C 48 31.751 30.361 1.390 1
1 532 . 1 1 1 A 50 50 GLN N N 48 120.774 120.107 0.667 1
1 533 . 1 1 1 A 51 51 VAL H H 49 8.710 9.358 -0.648 1
1 534 . 1 1 1 A 51 51 VAL HA H 49 4.781 4.889 -0.108 1
1 542 . 1 1 1 A 51 51 VAL C C 49 175.185 173.491 1.694 1
1 543 . 1 1 1 A 51 51 VAL CA C 49 59.344 59.040 0.304 1
1 544 . 1 1 1 A 51 51 VAL CB C 49 36.024 35.338 0.686 1
1 547 . 1 1 1 A 51 51 VAL N N 49 117.392 118.936 -1.544 1
1 548 . 1 1 1 A 52 52 CYS H H 50 9.184 9.003 0.181 1
1 549 . 1 1 1 A 52 52 CYS HA H 50 5.313 5.432 -0.119 1
1 552 . 1 1 1 A 52 52 CYS C C 50 174.380 173.448 0.932 1
1 553 . 1 1 1 A 52 52 CYS CA C 50 57.984 54.346 3.638 1
1 554 . 1 1 1 A 52 52 CYS CB C 50 42.661 45.600 -2.939 1
1 555 . 1 1 1 A 52 52 CYS N N 50 124.238 121.036 3.202 1
1 556 . 1 1 1 A 53 53 ILE H H 51 8.434 9.494 -1.060 1
1 557 . 1 1 1 A 53 53 ILE HA H 51 4.928 5.325 -0.397 1
1 567 . 1 1 1 A 53 53 ILE C C 51 172.931 173.512 -0.581 1
1 568 . 1 1 1 A 53 53 ILE CA C 51 58.675 58.964 -0.289 1
1 569 . 1 1 1 A 53 53 ILE CB C 51 42.309 42.130 0.179 1
1 573 . 1 1 1 A 53 53 ILE N N 51 122.034 120.722 1.312 1
1 574 . 1 1 1 A 54 54 ASP H H 52 7.702 8.697 -0.995 1
1 575 . 1 1 1 A 54 54 ASP HA H 52 3.426 4.885 -1.459 1
1 578 . 1 1 1 A 54 54 ASP CA C 52 51.251 50.401 0.850 1
1 579 . 1 1 1 A 54 54 ASP CB C 52 42.515 43.538 -1.023 1
1 580 . 1 1 1 A 54 54 ASP N N 52 125.815 121.803 4.012 1
1 581 . 1 1 1 A 55 55 PRO HA H 53 3.986 4.196 -0.210 1
1 588 . 1 1 1 A 55 55 PRO C C 53 176.034 177.837 -1.803 1
1 589 . 1 1 1 A 55 55 PRO CA C 53 63.947 64.002 -0.055 1
1 590 . 1 1 1 A 55 55 PRO CB C 53 33.000 31.624 1.376 1
1 593 . 1 1 1 A 56 56 LYS H H 54 7.889 8.555 -0.666 1
1 594 . 1 1 1 A 56 56 LYS HA H 54 3.993 3.973 0.020 1
1 603 . 1 1 1 A 56 56 LYS C C 54 177.922 177.450 0.472 1
1 604 . 1 1 1 A 56 56 LYS CA C 54 56.729 58.657 -1.928 1
1 605 . 1 1 1 A 56 56 LYS CB C 54 31.751 31.744 0.007 1
1 609 . 1 1 1 A 56 56 LYS N N 54 112.456 117.941 -5.485 1
1 610 . 1 1 1 A 57 57 LEU H H 55 7.157 7.203 -0.046 1
1 611 . 1 1 1 A 57 57 LEU HA H 55 4.040 4.125 -0.085 1
1 621 . 1 1 1 A 57 57 LEU C C 55 179.268 177.365 1.903 1
1 622 . 1 1 1 A 57 57 LEU CA C 55 55.997 55.552 0.445 1
1 623 . 1 1 1 A 57 57 LEU CB C 55 42.309 41.776 0.533 1
1 627 . 1 1 1 A 57 57 LEU N N 55 120.452 120.678 -0.226 1
1 628 . 1 1 1 A 58 58 LYS H H 56 8.731 8.776 -0.045 1
1 629 . 1 1 1 A 58 58 LYS HA H 56 3.913 3.904 0.009 1
1 638 . 1 1 1 A 58 58 LYS C C 56 178.917 178.316 0.601 1
1 639 . 1 1 1 A 58 58 LYS CA C 56 60.202 59.302 0.900 1
1 640 . 1 1 1 A 58 58 LYS CB C 56 32.253 32.183 0.070 1
1 644 . 1 1 1 A 58 58 LYS N N 56 125.307 125.457 -0.150 1
1 645 . 1 1 1 A 59 59 TRP H H 57 7.884 8.213 -0.329 1
1 646 . 1 1 1 A 59 59 TRP HA H 57 4.637 4.889 -0.252 1
1 654 . 1 1 1 A 59 59 TRP C C 57 178.829 179.511 -0.682 1
1 655 . 1 1 1 A 59 59 TRP CA C 57 58.779 59.883 -1.104 1
1 656 . 1 1 1 A 59 59 TRP CB C 57 27.854 28.060 -0.206 1
1 662 . 1 1 1 A 59 59 TRP N N 57 113.503 119.200 -5.697 1
1 663 . 1 1 1 A 60 60 ILE H H 58 6.449 7.482 -1.033 1
1 664 . 1 1 1 A 60 60 ILE HA H 58 3.284 3.268 0.016 1
1 674 . 1 1 1 A 60 60 ILE C C 58 177.687 177.792 -0.105 1
1 675 . 1 1 1 A 60 60 ILE CA C 58 64.177 64.944 -0.767 1
1 676 . 1 1 1 A 60 60 ILE CB C 58 35.710 37.538 -1.828 1
1 680 . 1 1 1 A 60 60 ILE N N 58 124.379 122.365 2.014 1
1 681 . 1 1 1 A 61 61 GLN H H 59 7.646 7.672 -0.026 1
1 682 . 1 1 1 A 61 61 GLN HA H 59 3.738 4.047 -0.309 1
1 689 . 1 1 1 A 61 61 GLN C C 59 178.361 179.109 -0.748 1
1 690 . 1 1 1 A 61 61 GLN CA C 59 59.302 59.093 0.209 1
1 691 . 1 1 1 A 61 61 GLN CB C 59 28.357 27.999 0.358 1
1 693 . 1 1 1 A 61 61 GLN N N 59 118.966 118.176 0.790 1
1 695 . 1 1 1 A 62 62 GLU H H 60 8.075 7.718 0.357 1
1 696 . 1 1 1 A 62 62 GLU HA H 60 4.076 4.103 -0.027 1
1 701 . 1 1 1 A 62 62 GLU C C 60 179.019 178.582 0.437 1
1 702 . 1 1 1 A 62 62 GLU CA C 60 59.637 58.933 0.704 1
1 703 . 1 1 1 A 62 62 GLU CB C 60 30.368 29.591 0.777 1
1 705 . 1 1 1 A 62 62 GLU N N 60 117.105 121.171 -4.066 1
1 706 . 1 1 1 A 63 63 TYR H H 61 7.922 7.985 -0.063 1
1 707 . 1 1 1 A 63 63 TYR HA H 61 4.237 4.302 -0.065 1
1 714 . 1 1 1 A 63 63 TYR C C 61 178.551 177.834 0.717 1
1 715 . 1 1 1 A 63 63 TYR CA C 61 61.206 61.522 -0.316 1
1 716 . 1 1 1 A 63 63 TYR CB C 61 39.669 38.992 0.677 1
1 719 . 1 1 1 A 63 63 TYR N N 61 121.402 122.564 -1.162 1
1 720 . 1 1 1 A 64 64 LEU H H 62 8.227 7.846 0.381 1
1 721 . 1 1 1 A 64 64 LEU HA H 62 3.957 4.242 -0.285 1
1 731 . 1 1 1 A 64 64 LEU C C 62 179.458 178.950 0.508 1
1 732 . 1 1 1 A 64 64 LEU CA C 62 57.880 58.166 -0.286 1
1 733 . 1 1 1 A 64 64 LEU CB C 62 42.434 41.171 1.263 1
1 737 . 1 1 1 A 64 64 LEU N N 62 116.209 119.447 -3.238 1
1 738 . 1 1 1 A 65 65 GLU H H 63 8.472 8.425 0.047 1
1 739 . 1 1 1 A 65 65 GLU HA H 63 3.827 4.074 -0.247 1
1 744 . 1 1 1 A 65 65 GLU C C 63 179.166 179.332 -0.166 1
1 745 . 1 1 1 A 65 65 GLU CA C 63 60.265 59.604 0.661 1
1 746 . 1 1 1 A 65 65 GLU CB C 63 29.739 29.190 0.549 1
1 748 . 1 1 1 A 65 65 GLU N N 63 118.559 119.209 -0.650 1
1 749 . 1 1 1 A 66 66 LYS H H 64 7.554 7.859 -0.305 1
1 750 . 1 1 1 A 66 66 LYS HA H 64 4.215 4.191 0.024 1
1 759 . 1 1 1 A 66 66 LYS C C 64 178.302 178.701 -0.399 1
1 760 . 1 1 1 A 66 66 LYS CA C 64 58.481 58.747 -0.266 1
1 761 . 1 1 1 A 66 66 LYS CB C 64 32.505 32.139 0.366 1
1 765 . 1 1 1 A 66 66 LYS N N 64 117.056 119.293 -2.237 1
1 766 . 1 1 1 A 67 67 CYS H H 65 7.918 7.889 0.029 1
1 767 . 1 1 1 A 67 67 CYS HA H 65 4.532 4.498 0.034 1
1 770 . 1 1 1 A 67 67 CYS C C 65 174.775 175.149 -0.374 1
1 771 . 1 1 1 A 67 67 CYS CA C 65 56.102 61.602 -5.500 1
1 772 . 1 1 1 A 67 67 CYS CB C 65 45.325 28.125 17.200 1
1 773 . 1 1 1 A 67 67 CYS N N 65 115.236 116.132 -0.896 1
1 774 . 1 1 1 A 68 68 LEU H H 66 7.558 7.280 0.278 1
1 775 . 1 1 1 A 68 68 LEU HA H 66 4.520 4.436 0.084 1
1 785 . 1 1 1 A 68 68 LEU C C 66 176.765 177.059 -0.294 1
1 786 . 1 1 1 A 68 68 LEU CA C 66 55.202 54.249 0.953 1
1 787 . 1 1 1 A 68 68 LEU CB C 66 43.314 41.129 2.185 1
1 791 . 1 1 1 A 68 68 LEU N N 66 121.130 121.078 0.052 1
1 792 . 1 1 1 A 69 69 ASN H H 67 8.306 9.603 -1.297 1
1 793 . 1 1 1 A 69 69 ASN HA H 67 4.639 4.390 0.249 1
1 798 . 1 1 1 A 69 69 ASN C C 67 174.189 175.255 -1.066 1
1 799 . 1 1 1 A 69 69 ASN CA C 67 53.654 54.864 -1.210 1
1 800 . 1 1 1 A 69 69 ASN CB C 67 38.978 37.096 1.882 1
1 801 . 1 1 1 A 69 69 ASN N N 67 120.313 123.598 -3.285 1
1 3 . 2 1 1 A 4 4 PRO HA H 2 4.490 4.842 -0.352 1
1 10 . 2 1 1 A 4 4 PRO C C 2 177.102 175.927 1.175 1
1 11 . 2 1 1 A 4 4 PRO CA C 2 63.319 62.335 0.984 1
1 12 . 2 1 1 A 4 4 PRO CB C 2 32.575 32.181 0.394 1
1 15 . 2 1 1 A 5 5 VAL H H 3 8.259 8.326 -0.067 1
1 16 . 2 1 1 A 5 5 VAL HA H 3 4.117 4.424 -0.307 1
1 24 . 2 1 1 A 5 5 VAL C C 3 176.385 174.491 1.894 1
1 25 . 2 1 1 A 5 5 VAL CA C 3 62.629 61.311 1.318 1
1 26 . 2 1 1 A 5 5 VAL CB C 3 33.146 32.228 0.918 1
1 29 . 2 1 1 A 5 5 VAL N N 3 120.806 122.514 -1.708 1
1 30 . 2 1 1 A 6 6 SER H H 4 8.345 8.510 -0.165 1
1 31 . 2 1 1 A 6 6 SER HA H 4 4.479 4.778 -0.299 1
1 34 . 2 1 1 A 6 6 SER C C 4 174.687 173.273 1.414 1
1 35 . 2 1 1 A 6 6 SER CA C 4 58.340 57.108 1.232 1
1 36 . 2 1 1 A 6 6 SER CB C 4 64.208 63.423 0.785 1
1 37 . 2 1 1 A 6 6 SER N N 4 119.332 125.782 -6.450 1
1 38 . 2 1 1 A 7 7 LEU H H 5 8.334 8.464 -0.130 1
1 39 . 2 1 1 A 7 7 LEU HA H 5 4.384 4.474 -0.090 1
1 45 . 2 1 1 A 7 7 LEU C C 5 177.424 175.465 1.959 1
1 46 . 2 1 1 A 7 7 LEU CA C 5 55.495 54.090 1.405 1
1 47 . 2 1 1 A 7 7 LEU CB C 5 42.786 44.341 -1.555 1
1 49 . 2 1 1 A 7 7 LEU N N 5 124.942 127.421 -2.479 1
1 50 . 2 1 1 A 8 8 SER H H 6 8.198 8.663 -0.465 1
1 51 . 2 1 1 A 8 8 SER HA H 6 4.407 4.158 0.249 1
1 54 . 2 1 1 A 8 8 SER C C 6 174.306 174.346 -0.040 1
1 55 . 2 1 1 A 8 8 SER CA C 6 58.696 60.655 -1.959 1
1 56 . 2 1 1 A 8 8 SER CB C 6 64.136 61.928 2.208 1
1 57 . 2 1 1 A 8 8 SER N N 6 116.070 118.307 -2.237 1
1 58 . 2 1 1 A 9 9 TYR H H 7 8.005 8.594 -0.589 1
1 59 . 2 1 1 A 9 9 TYR HA H 7 4.547 4.714 -0.167 1
1 66 . 2 1 1 A 9 9 TYR C C 7 175.507 176.256 -0.749 1
1 67 . 2 1 1 A 9 9 TYR CA C 7 58.236 59.111 -0.875 1
1 68 . 2 1 1 A 9 9 TYR CB C 7 39.144 38.716 0.428 1
1 71 . 2 1 1 A 9 9 TYR N N 7 122.102 122.428 -0.326 1
1 72 . 2 1 1 A 10 10 ARG H H 8 8.142 7.791 0.351 1
1 73 . 2 1 1 A 10 10 ARG HA H 8 4.302 4.447 -0.145 1
1 80 . 2 1 1 A 10 10 ARG C C 8 175.946 175.550 0.396 1
1 81 . 2 1 1 A 10 10 ARG CA C 8 56.102 56.094 0.008 1
1 82 . 2 1 1 A 10 10 ARG CB C 8 31.004 30.966 0.038 1
1 85 . 2 1 1 A 10 10 ARG N N 8 122.105 120.191 1.914 1
1 86 . 2 1 1 A 11 11 CYS H H 9 8.185 8.695 -0.510 1
1 87 . 2 1 1 A 11 11 CYS HA H 9 4.952 5.040 -0.088 1
1 90 . 2 1 1 A 11 11 CYS CA C 9 53.192 54.689 -1.497 1
1 91 . 2 1 1 A 11 11 CYS CB C 9 40.250 43.350 -3.100 1
1 92 . 2 1 1 A 11 11 CYS N N 9 121.511 123.141 -1.630 1
1 93 . 2 1 1 A 12 12 PRO HA H 10 4.315 4.330 -0.015 1
1 100 . 2 1 1 A 12 12 PRO C C 10 177.980 176.592 1.388 1
1 101 . 2 1 1 A 12 12 PRO CA C 10 65.345 64.737 0.608 1
1 102 . 2 1 1 A 12 12 PRO CB C 10 32.575 31.612 0.963 1
1 105 . 2 1 1 A 13 13 CYS H H 11 8.719 7.775 0.944 1
1 106 . 2 1 1 A 13 13 CYS N N 11 115.047 116.447 -1.400 1
1 107 . 2 1 1 A 14 14 ARG HA H 12 4.028 4.533 -0.505 1
1 114 . 2 1 1 A 14 14 ARG C C 12 175.097 175.659 -0.562 1
1 115 . 2 1 1 A 14 14 ARG CA C 12 57.503 56.827 0.676 1
1 116 . 2 1 1 A 14 14 ARG CB C 12 31.289 33.074 -1.785 1
1 119 . 2 1 1 A 15 15 PHE H H 13 7.607 8.081 -0.474 1
1 120 . 2 1 1 A 15 15 PHE HA H 13 4.497 5.053 -0.556 1
1 127 . 2 1 1 A 15 15 PHE C C 13 174.292 175.188 -0.896 1
1 128 . 2 1 1 A 15 15 PHE CA C 13 56.060 56.412 -0.352 1
1 129 . 2 1 1 A 15 15 PHE CB C 13 41.122 41.129 -0.007 1
1 132 . 2 1 1 A 15 15 PHE N N 13 116.487 116.352 0.135 1
1 133 . 2 1 1 A 16 16 PHE H H 14 8.202 9.071 -0.869 1
1 134 . 2 1 1 A 16 16 PHE HA H 14 4.793 6.109 -1.316 1
1 141 . 2 1 1 A 16 16 PHE C C 14 175.433 173.124 2.309 1
1 142 . 2 1 1 A 16 16 PHE CA C 14 55.516 55.025 0.491 1
1 143 . 2 1 1 A 16 16 PHE CB C 14 41.096 42.334 -1.238 1
1 146 . 2 1 1 A 16 16 PHE N N 14 119.591 118.631 0.960 1
1 147 . 2 1 1 A 17 17 GLU H H 15 8.749 9.528 -0.779 1
1 148 . 2 1 1 A 17 17 GLU HA H 15 4.579 4.540 0.039 1
1 153 . 2 1 1 A 17 17 GLU C C 15 176.809 177.200 -0.391 1
1 154 . 2 1 1 A 17 17 GLU CA C 15 56.395 56.251 0.144 1
1 155 . 2 1 1 A 17 17 GLU CB C 15 30.932 31.344 -0.412 1
1 157 . 2 1 1 A 17 17 GLU N N 15 122.719 122.137 0.582 1
1 158 . 2 1 1 A 18 18 SER H H 16 8.764 8.461 0.303 1
1 159 . 2 1 1 A 18 18 SER HA H 16 4.697 4.744 -0.047 1
1 162 . 2 1 1 A 18 18 SER CA C 16 59.637 58.986 0.651 1
1 163 . 2 1 1 A 18 18 SER CB C 16 64.708 64.259 0.449 1
1 164 . 2 1 1 A 18 18 SER N N 16 118.765 120.383 -1.618 1
1 165 . 2 1 1 A 19 19 HIS H H 17 8.617 7.925 0.692 1
1 166 . 2 1 1 A 19 19 HIS HA H 17 4.770 4.638 0.132 1
1 171 . 2 1 1 A 19 19 HIS C C 17 174.658 173.790 0.868 1
1 172 . 2 1 1 A 19 19 HIS CA C 17 56.750 54.362 2.388 1
1 173 . 2 1 1 A 19 19 HIS CB C 17 29.718 28.302 1.416 1
1 176 . 2 1 1 A 19 19 HIS N N 17 119.651 122.207 -2.556 1
1 177 . 2 1 1 A 20 20 VAL H H 18 7.360 7.728 -0.368 1
1 178 . 2 1 1 A 20 20 VAL HA H 18 4.100 4.567 -0.467 1
1 186 . 2 1 1 A 20 20 VAL C C 18 174.424 174.820 -0.396 1
1 187 . 2 1 1 A 20 20 VAL CA C 18 62.252 61.451 0.801 1
1 188 . 2 1 1 A 20 20 VAL CB C 18 34.146 33.964 0.182 1
1 191 . 2 1 1 A 20 20 VAL N N 18 121.352 122.519 -1.167 1
1 192 . 2 1 1 A 21 21 ALA H H 19 8.570 8.557 0.013 1
1 193 . 2 1 1 A 21 21 ALA HA H 19 4.345 4.531 -0.186 1
1 197 . 2 1 1 A 21 21 ALA C C 19 177.570 177.531 0.039 1
1 198 . 2 1 1 A 21 21 ALA CA C 19 50.997 50.291 0.706 1
1 199 . 2 1 1 A 21 21 ALA CB C 19 19.579 20.456 -0.877 1
1 200 . 2 1 1 A 21 21 ALA N N 19 131.401 130.778 0.623 1
1 201 . 2 1 1 A 22 22 ARG H H 20 7.838 7.988 -0.150 1
1 202 . 2 1 1 A 22 22 ARG HA H 20 2.545 2.950 -0.405 1
1 209 . 2 1 1 A 22 22 ARG C C 20 178.258 177.272 0.986 1
1 210 . 2 1 1 A 22 22 ARG CA C 20 59.407 58.363 1.044 1
1 211 . 2 1 1 A 22 22 ARG CB C 20 29.433 29.061 0.372 1
1 214 . 2 1 1 A 22 22 ARG N N 20 124.465 122.954 1.511 1
1 215 . 2 1 1 A 23 23 ALA H H 21 8.203 7.526 0.677 1
1 216 . 2 1 1 A 23 23 ALA HA H 21 4.069 4.105 -0.036 1
1 220 . 2 1 1 A 23 23 ALA C C 21 177.995 178.810 -0.815 1
1 221 . 2 1 1 A 23 23 ALA CA C 21 54.000 53.510 0.490 1
1 222 . 2 1 1 A 23 23 ALA CB C 21 18.722 18.247 0.475 1
1 223 . 2 1 1 A 23 23 ALA N N 21 117.242 120.809 -3.567 1
1 224 . 2 1 1 A 24 24 ASN H H 22 7.739 7.981 -0.242 1
1 225 . 2 1 1 A 24 24 ASN HA H 22 4.988 4.754 0.234 1
1 230 . 2 1 1 A 24 24 ASN C C 22 174.848 175.626 -0.778 1
1 231 . 2 1 1 A 24 24 ASN CA C 22 52.509 54.657 -2.148 1
1 232 . 2 1 1 A 24 24 ASN CB C 22 40.358 39.419 0.939 1
1 233 . 2 1 1 A 24 24 ASN N N 22 112.861 116.241 -3.380 1
1 235 . 2 1 1 A 25 25 VAL H H 23 7.524 7.138 0.386 1
1 236 . 2 1 1 A 25 25 VAL HA H 23 4.272 4.082 0.190 1
1 244 . 2 1 1 A 25 25 VAL C C 23 175.755 175.515 0.240 1
1 245 . 2 1 1 A 25 25 VAL CA C 23 62.859 63.484 -0.625 1
1 246 . 2 1 1 A 25 25 VAL CB C 23 33.432 31.968 1.464 1
1 249 . 2 1 1 A 25 25 VAL N N 23 119.883 118.238 1.645 1
1 250 . 2 1 1 A 26 26 LYS H H 24 9.527 9.345 0.182 1
1 251 . 2 1 1 A 26 26 LYS HA H 24 4.298 4.337 -0.039 1
1 260 . 2 1 1 A 26 26 LYS C C 24 176.634 176.712 -0.078 1
1 261 . 2 1 1 A 26 26 LYS CA C 24 58.989 57.910 1.079 1
1 262 . 2 1 1 A 26 26 LYS CB C 24 34.390 33.005 1.385 1
1 266 . 2 1 1 A 26 26 LYS N N 24 128.312 127.425 0.887 1
1 267 . 2 1 1 A 27 27 HIS H H 25 7.214 7.495 -0.281 1
1 268 . 2 1 1 A 27 27 HIS HA H 25 4.965 5.116 -0.151 1
1 273 . 2 1 1 A 27 27 HIS C C 25 172.740 172.696 0.044 1
1 274 . 2 1 1 A 27 27 HIS CA C 25 55.328 54.760 0.568 1
1 275 . 2 1 1 A 27 27 HIS CB C 25 32.882 31.560 1.322 1
1 278 . 2 1 1 A 27 27 HIS N N 25 109.505 113.565 -4.060 1
1 279 . 2 1 1 A 28 28 LEU H H 26 8.066 8.804 -0.738 1
1 280 . 2 1 1 A 28 28 LEU HA H 26 5.156 5.704 -0.548 1
1 290 . 2 1 1 A 28 28 LEU C C 26 175.346 175.344 0.002 1
1 291 . 2 1 1 A 28 28 LEU CA C 26 53.466 53.279 0.187 1
1 292 . 2 1 1 A 28 28 LEU CB C 26 45.200 45.212 -0.012 1
1 296 . 2 1 1 A 28 28 LEU N N 26 116.963 119.892 -2.929 1
1 297 . 2 1 1 A 29 29 LYS H H 27 9.549 8.970 0.579 1
1 298 . 2 1 1 A 29 29 LYS HA H 27 5.353 5.205 0.148 1
1 307 . 2 1 1 A 29 29 LYS C C 27 174.716 174.487 0.229 1
1 308 . 2 1 1 A 29 29 LYS CA C 27 55.118 54.825 0.293 1
1 309 . 2 1 1 A 29 29 LYS CB C 27 35.144 35.929 -0.785 1
1 313 . 2 1 1 A 29 29 LYS N N 27 123.299 122.715 0.584 1
1 314 . 2 1 1 A 30 30 ILE H H 28 9.140 8.959 0.181 1
1 315 . 2 1 1 A 30 30 ILE HA H 28 4.910 4.890 0.020 1
1 325 . 2 1 1 A 30 30 ILE C C 28 176.970 174.980 1.990 1
1 326 . 2 1 1 A 30 30 ILE CA C 28 60.390 59.545 0.845 1
1 327 . 2 1 1 A 30 30 ILE CB C 28 39.603 38.366 1.237 1
1 331 . 2 1 1 A 30 30 ILE N N 28 123.823 127.658 -3.835 1
1 332 . 2 1 1 A 31 31 LEU H H 29 8.866 9.337 -0.471 1
1 333 . 2 1 1 A 31 31 LEU HA H 29 4.580 4.563 0.017 1
1 342 . 2 1 1 A 31 31 LEU C C 29 175.975 175.474 0.501 1
1 343 . 2 1 1 A 31 31 LEU CA C 29 55.474 54.234 1.240 1
1 344 . 2 1 1 A 31 31 LEU CB C 29 42.749 42.206 0.543 1
1 347 . 2 1 1 A 31 31 LEU N N 29 128.835 129.114 -0.279 1
1 348 . 2 1 1 A 32 32 ASN H H 30 8.211 8.916 -0.705 1
1 349 . 2 1 1 A 32 32 ASN HA H 30 4.998 4.993 0.005 1
1 354 . 2 1 1 A 32 32 ASN C C 30 174.658 175.098 -0.440 1
1 355 . 2 1 1 A 32 32 ASN CA C 30 52.524 52.552 -0.028 1
1 356 . 2 1 1 A 32 32 ASN CB C 30 38.978 39.190 -0.212 1
1 357 . 2 1 1 A 32 32 ASN N N 30 120.696 124.627 -3.931 1
1 359 . 2 1 1 A 33 33 THR H H 31 7.925 8.139 -0.214 1
1 360 . 2 1 1 A 33 33 THR HA H 31 4.784 4.979 -0.195 1
1 365 . 2 1 1 A 33 33 THR CA C 31 58.046 58.301 -0.255 1
1 366 . 2 1 1 A 33 33 THR CB C 31 70.341 70.129 0.212 1
1 368 . 2 1 1 A 33 33 THR N N 31 116.303 117.184 -0.881 1
1 369 . 2 1 1 A 34 34 PRO HA H 32 4.300 4.363 -0.063 1
1 376 . 2 1 1 A 34 34 PRO C C 32 176.765 176.890 -0.125 1
1 377 . 2 1 1 A 34 34 PRO CA C 32 65.164 65.283 -0.119 1
1 378 . 2 1 1 A 34 34 PRO CB C 32 32.484 31.544 0.940 1
1 381 . 2 1 1 A 35 35 ASN H H 33 8.294 8.064 0.230 1
1 382 . 2 1 1 A 35 35 ASN C C 33 174.541 173.068 1.473 1
1 383 . 2 1 1 A 35 35 ASN N N 33 120.212 113.733 6.479 1
1 384 . 2 1 1 A 36 36 CYS H H 34 7.561 8.182 -0.621 1
1 385 . 2 1 1 A 36 36 CYS HA H 34 4.884 5.058 -0.174 1
1 388 . 2 1 1 A 36 36 CYS C C 34 173.838 172.735 1.103 1
1 389 . 2 1 1 A 36 36 CYS CA C 34 55.139 55.037 0.102 1
1 390 . 2 1 1 A 36 36 CYS CB C 34 45.200 47.238 -2.038 1
1 391 . 2 1 1 A 36 36 CYS N N 34 116.986 123.183 -6.197 1
1 392 . 2 1 1 A 37 37 ALA H H 35 8.520 8.488 0.032 1
1 393 . 2 1 1 A 37 37 ALA HA H 35 4.233 4.436 -0.203 1
1 397 . 2 1 1 A 37 37 ALA C C 35 176.326 177.154 -0.828 1
1 398 . 2 1 1 A 37 37 ALA CA C 35 53.152 51.541 1.611 1
1 399 . 2 1 1 A 37 37 ALA CB C 35 18.930 20.091 -1.161 1
1 400 . 2 1 1 A 37 37 ALA N N 35 125.167 124.396 0.771 1
1 401 . 2 1 1 A 38 38 CYS H H 36 8.343 8.444 -0.101 1
1 402 . 2 1 1 A 38 38 CYS HA H 36 4.213 4.368 -0.155 1
1 405 . 2 1 1 A 38 38 CYS C C 36 173.589 173.776 -0.187 1
1 406 . 2 1 1 A 38 38 CYS CA C 36 58.487 59.122 -0.635 1
1 407 . 2 1 1 A 38 38 CYS CB C 36 45.702 27.896 17.806 1
1 408 . 2 1 1 A 38 38 CYS N N 36 118.786 118.488 0.298 1
1 409 . 2 1 1 A 39 39 GLN H H 37 8.988 8.776 0.212 1
1 410 . 2 1 1 A 39 39 GLN HA H 37 4.573 4.707 -0.134 1
1 417 . 2 1 1 A 39 39 GLN C C 37 173.545 174.741 -1.196 1
1 418 . 2 1 1 A 39 39 GLN CA C 37 54.491 55.594 -1.103 1
1 419 . 2 1 1 A 39 39 GLN CB C 37 31.876 29.642 2.234 1
1 421 . 2 1 1 A 39 39 GLN N N 37 128.825 127.819 1.006 1
1 423 . 2 1 1 A 40 40 ILE H H 38 8.967 9.072 -0.105 1
1 424 . 2 1 1 A 40 40 ILE HA H 38 5.095 5.011 0.084 1
1 434 . 2 1 1 A 40 40 ILE C C 38 174.336 174.721 -0.385 1
1 435 . 2 1 1 A 40 40 ILE CA C 38 60.620 60.069 0.551 1
1 436 . 2 1 1 A 40 40 ILE CB C 38 40.235 39.943 0.292 1
1 440 . 2 1 1 A 40 40 ILE N N 38 124.006 125.626 -1.620 1
1 441 . 2 1 1 A 41 41 VAL H H 39 9.130 9.527 -0.397 1
1 442 . 2 1 1 A 41 41 VAL HA H 39 4.926 4.689 0.237 1
1 450 . 2 1 1 A 41 41 VAL C C 39 175.492 174.584 0.908 1
1 451 . 2 1 1 A 41 41 VAL CA C 39 59.993 61.272 -1.279 1
1 452 . 2 1 1 A 41 41 VAL CB C 39 35.270 33.760 1.510 1
1 455 . 2 1 1 A 41 41 VAL N N 39 125.973 128.643 -2.670 1
1 456 . 2 1 1 A 42 42 ALA H H 40 9.558 9.390 0.168 1
1 457 . 2 1 1 A 42 42 ALA HA H 40 5.123 5.284 -0.161 1
1 461 . 2 1 1 A 42 42 ALA C C 40 175.931 175.128 0.803 1
1 462 . 2 1 1 A 42 42 ALA CA C 40 50.558 50.070 0.488 1
1 463 . 2 1 1 A 42 42 ALA CB C 40 22.072 21.369 0.703 1
1 464 . 2 1 1 A 42 42 ALA N N 40 128.264 129.096 -0.832 1
1 465 . 2 1 1 A 43 43 ARG H H 41 7.707 8.606 -0.899 1
1 466 . 2 1 1 A 43 43 ARG HA H 41 4.966 4.859 0.107 1
1 473 . 2 1 1 A 43 43 ARG C C 41 175.477 174.919 0.558 1
1 474 . 2 1 1 A 43 43 ARG CA C 41 54.000 54.676 -0.676 1
1 475 . 2 1 1 A 43 43 ARG CB C 41 31.122 32.559 -1.437 1
1 478 . 2 1 1 A 43 43 ARG N N 41 121.647 123.611 -1.964 1
1 479 . 2 1 1 A 44 44 LEU H H 42 9.183 9.037 0.146 1
1 480 . 2 1 1 A 44 44 LEU HA H 42 5.009 4.964 0.045 1
1 490 . 2 1 1 A 44 44 LEU C C 42 177.848 176.048 1.800 1
1 491 . 2 1 1 A 44 44 LEU CA C 42 54.596 53.756 0.840 1
1 492 . 2 1 1 A 44 44 LEU CB C 42 41.806 43.174 -1.368 1
1 496 . 2 1 1 A 44 44 LEU N N 42 128.821 127.882 0.939 1
1 497 . 2 1 1 A 45 45 LYS H H 43 8.449 8.564 -0.115 1
1 498 . 2 1 1 A 45 45 LYS N N 43 119.659 120.807 -1.148 1
1 499 . 2 1 1 A 48 48 ASN HA H 46 4.716 5.292 -0.576 1
1 504 . 2 1 1 A 48 48 ASN C C 46 175.155 173.884 1.271 1
1 505 . 2 1 1 A 48 48 ASN CA C 46 54.616 51.485 3.131 1
1 506 . 2 1 1 A 48 48 ASN CB C 46 39.292 41.732 -2.440 1
1 508 . 2 1 1 A 49 49 ARG H H 47 7.926 8.666 -0.740 1
1 509 . 2 1 1 A 49 49 ARG HA H 47 4.274 4.942 -0.668 1
1 516 . 2 1 1 A 49 49 ARG C C 47 175.433 174.203 1.230 1
1 517 . 2 1 1 A 49 49 ARG CA C 47 57.252 54.140 3.112 1
1 518 . 2 1 1 A 49 49 ARG CB C 47 32.128 32.896 -0.768 1
1 521 . 2 1 1 A 49 49 ARG N N 47 120.086 118.401 1.685 1
1 522 . 2 1 1 A 50 50 GLN H H 48 8.542 8.752 -0.210 1
1 523 . 2 1 1 A 50 50 GLN HA H 48 5.478 5.079 0.399 1
1 528 . 2 1 1 A 50 50 GLN C C 48 175.697 174.930 0.767 1
1 529 . 2 1 1 A 50 50 GLN CA C 48 55.077 54.398 0.679 1
1 530 . 2 1 1 A 50 50 GLN CB C 48 31.751 31.842 -0.091 1
1 532 . 2 1 1 A 50 50 GLN N N 48 120.774 120.281 0.493 1
1 533 . 2 1 1 A 51 51 VAL H H 49 8.710 9.097 -0.387 1
1 534 . 2 1 1 A 51 51 VAL HA H 49 4.781 4.912 -0.131 1
1 542 . 2 1 1 A 51 51 VAL C C 49 175.185 173.564 1.621 1
1 543 . 2 1 1 A 51 51 VAL CA C 49 59.344 59.129 0.215 1
1 544 . 2 1 1 A 51 51 VAL CB C 49 36.024 35.428 0.596 1
1 547 . 2 1 1 A 51 51 VAL N N 49 117.392 119.427 -2.035 1
1 548 . 2 1 1 A 52 52 CYS H H 50 9.184 9.019 0.165 1
1 549 . 2 1 1 A 52 52 CYS HA H 50 5.313 5.417 -0.104 1
1 552 . 2 1 1 A 52 52 CYS C C 50 174.380 173.550 0.830 1
1 553 . 2 1 1 A 52 52 CYS CA C 50 57.984 54.370 3.614 1
1 554 . 2 1 1 A 52 52 CYS CB C 50 42.661 45.441 -2.780 1
1 555 . 2 1 1 A 52 52 CYS N N 50 124.238 120.788 3.450 1
1 556 . 2 1 1 A 53 53 ILE H H 51 8.434 9.749 -1.315 1
1 557 . 2 1 1 A 53 53 ILE HA H 51 4.928 5.360 -0.432 1
1 567 . 2 1 1 A 53 53 ILE C C 51 172.931 173.215 -0.284 1
1 568 . 2 1 1 A 53 53 ILE CA C 51 58.675 59.160 -0.485 1
1 569 . 2 1 1 A 53 53 ILE CB C 51 42.309 42.249 0.060 1
1 573 . 2 1 1 A 53 53 ILE N N 51 122.034 121.056 0.978 1
1 574 . 2 1 1 A 54 54 ASP H H 52 7.702 8.634 -0.932 1
1 575 . 2 1 1 A 54 54 ASP HA H 52 3.426 4.875 -1.449 1
1 578 . 2 1 1 A 54 54 ASP CA C 52 51.251 50.334 0.917 1
1 579 . 2 1 1 A 54 54 ASP CB C 52 42.515 42.033 0.482 1
1 580 . 2 1 1 A 54 54 ASP N N 52 125.815 122.432 3.383 1
1 581 . 2 1 1 A 55 55 PRO HA H 53 3.986 4.196 -0.210 1
1 588 . 2 1 1 A 55 55 PRO C C 53 176.034 177.752 -1.718 1
1 589 . 2 1 1 A 55 55 PRO CA C 53 63.947 64.005 -0.058 1
1 590 . 2 1 1 A 55 55 PRO CB C 53 33.000 31.636 1.364 1
1 593 . 2 1 1 A 56 56 LYS H H 54 7.889 8.575 -0.686 1
1 594 . 2 1 1 A 56 56 LYS HA H 54 3.993 3.978 0.015 1
1 603 . 2 1 1 A 56 56 LYS C C 54 177.922 177.424 0.498 1
1 604 . 2 1 1 A 56 56 LYS CA C 54 56.729 58.481 -1.752 1
1 605 . 2 1 1 A 56 56 LYS CB C 54 31.751 31.893 -0.142 1
1 609 . 2 1 1 A 56 56 LYS N N 54 112.456 117.798 -5.342 1
1 610 . 2 1 1 A 57 57 LEU H H 55 7.157 7.117 0.040 1
1 611 . 2 1 1 A 57 57 LEU HA H 55 4.040 4.115 -0.075 1
1 621 . 2 1 1 A 57 57 LEU C C 55 179.268 177.350 1.918 1
1 622 . 2 1 1 A 57 57 LEU CA C 55 55.997 55.481 0.516 1
1 623 . 2 1 1 A 57 57 LEU CB C 55 42.309 41.808 0.501 1
1 627 . 2 1 1 A 57 57 LEU N N 55 120.452 120.580 -0.128 1
1 628 . 2 1 1 A 58 58 LYS H H 56 8.731 8.788 -0.057 1
1 629 . 2 1 1 A 58 58 LYS HA H 56 3.913 3.892 0.021 1
1 638 . 2 1 1 A 58 58 LYS C C 56 178.917 178.487 0.430 1
1 639 . 2 1 1 A 58 58 LYS CA C 56 60.202 58.989 1.213 1
1 640 . 2 1 1 A 58 58 LYS CB C 56 32.253 32.164 0.089 1
1 644 . 2 1 1 A 58 58 LYS N N 56 125.307 125.705 -0.398 1
1 645 . 2 1 1 A 59 59 TRP H H 57 7.884 8.235 -0.351 1
1 646 . 2 1 1 A 59 59 TRP HA H 57 4.637 4.657 -0.020 1
1 654 . 2 1 1 A 59 59 TRP C C 57 178.829 179.492 -0.663 1
1 655 . 2 1 1 A 59 59 TRP CA C 57 58.779 59.957 -1.178 1
1 656 . 2 1 1 A 59 59 TRP CB C 57 27.854 27.892 -0.038 1
1 662 . 2 1 1 A 59 59 TRP N N 57 113.503 119.330 -5.827 1
1 663 . 2 1 1 A 60 60 ILE H H 58 6.449 7.587 -1.138 1
1 664 . 2 1 1 A 60 60 ILE HA H 58 3.284 3.285 -0.001 1
1 674 . 2 1 1 A 60 60 ILE C C 58 177.687 177.834 -0.147 1
1 675 . 2 1 1 A 60 60 ILE CA C 58 64.177 64.862 -0.685 1
1 676 . 2 1 1 A 60 60 ILE CB C 58 35.710 37.493 -1.783 1
1 680 . 2 1 1 A 60 60 ILE N N 58 124.379 122.529 1.850 1
1 681 . 2 1 1 A 61 61 GLN H H 59 7.646 7.679 -0.033 1
1 682 . 2 1 1 A 61 61 GLN HA H 59 3.738 3.955 -0.217 1
1 689 . 2 1 1 A 61 61 GLN C C 59 178.361 179.132 -0.771 1
1 690 . 2 1 1 A 61 61 GLN CA C 59 59.302 59.019 0.283 1
1 691 . 2 1 1 A 61 61 GLN CB C 59 28.357 28.221 0.136 1
1 693 . 2 1 1 A 61 61 GLN N N 59 118.966 118.339 0.627 1
1 695 . 2 1 1 A 62 62 GLU H H 60 8.075 8.319 -0.244 1
1 696 . 2 1 1 A 62 62 GLU HA H 60 4.076 4.126 -0.050 1
1 701 . 2 1 1 A 62 62 GLU C C 60 179.019 178.573 0.446 1
1 702 . 2 1 1 A 62 62 GLU CA C 60 59.637 59.072 0.565 1
1 703 . 2 1 1 A 62 62 GLU CB C 60 30.368 29.524 0.844 1
1 705 . 2 1 1 A 62 62 GLU N N 60 117.105 121.089 -3.984 1
1 706 . 2 1 1 A 63 63 TYR H H 61 7.922 8.111 -0.189 1
1 707 . 2 1 1 A 63 63 TYR HA H 61 4.237 4.328 -0.091 1
1 714 . 2 1 1 A 63 63 TYR C C 61 178.551 177.892 0.659 1
1 715 . 2 1 1 A 63 63 TYR CA C 61 61.206 61.557 -0.351 1
1 716 . 2 1 1 A 63 63 TYR CB C 61 39.669 38.904 0.765 1
1 719 . 2 1 1 A 63 63 TYR N N 61 121.402 122.757 -1.355 1
1 720 . 2 1 1 A 64 64 LEU H H 62 8.227 7.891 0.336 1
1 721 . 2 1 1 A 64 64 LEU HA H 62 3.957 4.136 -0.179 1
1 731 . 2 1 1 A 64 64 LEU C C 62 179.458 178.988 0.470 1
1 732 . 2 1 1 A 64 64 LEU CA C 62 57.880 58.083 -0.203 1
1 733 . 2 1 1 A 64 64 LEU CB C 62 42.434 41.209 1.225 1
1 737 . 2 1 1 A 64 64 LEU N N 62 116.209 119.110 -2.901 1
1 738 . 2 1 1 A 65 65 GLU H H 63 8.472 8.855 -0.383 1
1 739 . 2 1 1 A 65 65 GLU HA H 63 3.827 4.074 -0.247 1
1 744 . 2 1 1 A 65 65 GLU C C 63 179.166 178.606 0.560 1
1 745 . 2 1 1 A 65 65 GLU CA C 63 60.265 59.493 0.772 1
1 746 . 2 1 1 A 65 65 GLU CB C 63 29.739 29.123 0.616 1
1 748 . 2 1 1 A 65 65 GLU N N 63 118.559 119.217 -0.658 1
1 749 . 2 1 1 A 66 66 LYS H H 64 7.554 7.784 -0.230 1
1 750 . 2 1 1 A 66 66 LYS HA H 64 4.215 4.251 -0.036 1
1 759 . 2 1 1 A 66 66 LYS C C 64 178.302 177.456 0.846 1
1 760 . 2 1 1 A 66 66 LYS CA C 64 58.481 58.069 0.412 1
1 761 . 2 1 1 A 66 66 LYS CB C 64 32.505 32.282 0.223 1
1 765 . 2 1 1 A 66 66 LYS N N 64 117.056 117.763 -0.707 1
1 766 . 2 1 1 A 67 67 CYS H H 65 7.918 7.871 0.047 1
1 767 . 2 1 1 A 67 67 CYS HA H 65 4.532 4.618 -0.086 1
1 770 . 2 1 1 A 67 67 CYS C C 65 174.775 173.583 1.192 1
1 771 . 2 1 1 A 67 67 CYS CA C 65 56.102 58.773 -2.671 1
1 772 . 2 1 1 A 67 67 CYS CB C 65 45.325 27.820 17.505 1
1 773 . 2 1 1 A 67 67 CYS N N 65 115.236 116.648 -1.412 1
1 774 . 2 1 1 A 68 68 LEU H H 66 7.558 7.434 0.124 1
1 775 . 2 1 1 A 68 68 LEU HA H 66 4.520 4.553 -0.033 1
1 785 . 2 1 1 A 68 68 LEU C C 66 176.765 176.554 0.211 1
1 786 . 2 1 1 A 68 68 LEU CA C 66 55.202 53.834 1.368 1
1 787 . 2 1 1 A 68 68 LEU CB C 66 43.314 42.321 0.993 1
1 791 . 2 1 1 A 68 68 LEU N N 66 121.130 122.041 -0.911 1
1 792 . 2 1 1 A 69 69 ASN H H 67 8.306 9.523 -1.217 1
1 793 . 2 1 1 A 69 69 ASN HA H 67 4.639 4.390 0.249 1
1 798 . 2 1 1 A 69 69 ASN C C 67 174.189 174.492 -0.303 1
1 799 . 2 1 1 A 69 69 ASN CA C 67 53.654 54.649 -0.995 1
1 800 . 2 1 1 A 69 69 ASN CB C 67 38.978 36.795 2.183 1
1 801 . 2 1 1 A 69 69 ASN N N 67 120.313 124.454 -4.141 1
1 3 . 3 1 1 A 4 4 PRO HA H 2 4.490 4.743 -0.253 1
1 10 . 3 1 1 A 4 4 PRO C C 2 177.102 176.037 1.065 1
1 11 . 3 1 1 A 4 4 PRO CA C 2 63.319 62.219 1.100 1
1 12 . 3 1 1 A 4 4 PRO CB C 2 32.575 33.049 -0.474 1
1 15 . 3 1 1 A 5 5 VAL H H 3 8.259 8.271 -0.012 1
1 16 . 3 1 1 A 5 5 VAL HA H 3 4.117 4.835 -0.718 1
1 24 . 3 1 1 A 5 5 VAL C C 3 176.385 174.530 1.855 1
1 25 . 3 1 1 A 5 5 VAL CA C 3 62.629 59.405 3.224 1
1 26 . 3 1 1 A 5 5 VAL CB C 3 33.146 35.153 -2.007 1
1 29 . 3 1 1 A 5 5 VAL N N 3 120.806 114.819 5.987 1
1 30 . 3 1 1 A 6 6 SER H H 4 8.345 8.680 -0.335 1
1 31 . 3 1 1 A 6 6 SER HA H 4 4.479 4.476 0.003 1
1 34 . 3 1 1 A 6 6 SER C C 4 174.687 173.759 0.928 1
1 35 . 3 1 1 A 6 6 SER CA C 4 58.340 57.345 0.995 1
1 36 . 3 1 1 A 6 6 SER CB C 4 64.208 63.072 1.136 1
1 37 . 3 1 1 A 6 6 SER N N 4 119.332 118.249 1.083 1
1 38 . 3 1 1 A 7 7 LEU H H 5 8.334 8.604 -0.270 1
1 39 . 3 1 1 A 7 7 LEU HA H 5 4.384 4.922 -0.538 1
1 45 . 3 1 1 A 7 7 LEU C C 5 177.424 176.059 1.365 1
1 46 . 3 1 1 A 7 7 LEU CA C 5 55.495 53.561 1.934 1
1 47 . 3 1 1 A 7 7 LEU CB C 5 42.786 42.979 -0.193 1
1 49 . 3 1 1 A 7 7 LEU N N 5 124.942 131.186 -6.244 1
1 50 . 3 1 1 A 8 8 SER H H 6 8.198 8.585 -0.387 1
1 51 . 3 1 1 A 8 8 SER HA H 6 4.407 4.716 -0.309 1
1 54 . 3 1 1 A 8 8 SER C C 6 174.306 174.471 -0.165 1
1 55 . 3 1 1 A 8 8 SER CA C 6 58.696 56.987 1.709 1
1 56 . 3 1 1 A 8 8 SER CB C 6 64.136 63.384 0.752 1
1 57 . 3 1 1 A 8 8 SER N N 6 116.070 117.765 -1.695 1
1 58 . 3 1 1 A 9 9 TYR H H 7 8.005 8.210 -0.205 1
1 59 . 3 1 1 A 9 9 TYR HA H 7 4.547 4.013 0.534 1
1 66 . 3 1 1 A 9 9 TYR C C 7 175.507 174.917 0.590 1
1 67 . 3 1 1 A 9 9 TYR CA C 7 58.236 61.646 -3.410 1
1 68 . 3 1 1 A 9 9 TYR CB C 7 39.144 36.209 2.935 1
1 71 . 3 1 1 A 9 9 TYR N N 7 122.102 116.111 5.991 1
1 72 . 3 1 1 A 10 10 ARG H H 8 8.142 7.911 0.231 1
1 73 . 3 1 1 A 10 10 ARG HA H 8 4.302 4.298 0.004 1
1 80 . 3 1 1 A 10 10 ARG C C 8 175.946 175.787 0.159 1
1 81 . 3 1 1 A 10 10 ARG CA C 8 56.102 56.084 0.018 1
1 82 . 3 1 1 A 10 10 ARG CB C 8 31.004 31.316 -0.312 1
1 85 . 3 1 1 A 10 10 ARG N N 8 122.105 121.224 0.881 1
1 86 . 3 1 1 A 11 11 CYS H H 9 8.185 8.737 -0.552 1
1 87 . 3 1 1 A 11 11 CYS HA H 9 4.952 4.997 -0.045 1
1 90 . 3 1 1 A 11 11 CYS CA C 9 53.192 54.808 -1.616 1
1 91 . 3 1 1 A 11 11 CYS CB C 9 40.250 43.090 -2.840 1
1 92 . 3 1 1 A 11 11 CYS N N 9 121.511 125.273 -3.762 1
1 93 . 3 1 1 A 12 12 PRO HA H 10 4.315 4.214 0.101 1
1 100 . 3 1 1 A 12 12 PRO C C 10 177.980 177.088 0.892 1
1 101 . 3 1 1 A 12 12 PRO CA C 10 65.345 65.079 0.266 1
1 102 . 3 1 1 A 12 12 PRO CB C 10 32.575 31.491 1.084 1
1 105 . 3 1 1 A 13 13 CYS H H 11 8.719 8.085 0.634 1
1 106 . 3 1 1 A 13 13 CYS N N 11 115.047 115.618 -0.571 1
1 107 . 3 1 1 A 14 14 ARG HA H 12 4.028 4.577 -0.549 1
1 114 . 3 1 1 A 14 14 ARG C C 12 175.097 175.725 -0.628 1
1 115 . 3 1 1 A 14 14 ARG CA C 12 57.503 56.625 0.878 1
1 116 . 3 1 1 A 14 14 ARG CB C 12 31.289 33.199 -1.910 1
1 119 . 3 1 1 A 15 15 PHE H H 13 7.607 7.957 -0.350 1
1 120 . 3 1 1 A 15 15 PHE HA H 13 4.497 5.388 -0.891 1
1 127 . 3 1 1 A 15 15 PHE C C 13 174.292 175.209 -0.917 1
1 128 . 3 1 1 A 15 15 PHE CA C 13 56.060 56.409 -0.349 1
1 129 . 3 1 1 A 15 15 PHE CB C 13 41.122 42.709 -1.587 1
1 132 . 3 1 1 A 15 15 PHE N N 13 116.487 115.449 1.038 1
1 133 . 3 1 1 A 16 16 PHE H H 14 8.202 9.051 -0.849 1
1 134 . 3 1 1 A 16 16 PHE HA H 14 4.793 6.104 -1.311 1
1 141 . 3 1 1 A 16 16 PHE C C 14 175.433 173.299 2.134 1
1 142 . 3 1 1 A 16 16 PHE CA C 14 55.516 55.181 0.335 1
1 143 . 3 1 1 A 16 16 PHE CB C 14 41.096 42.432 -1.336 1
1 146 . 3 1 1 A 16 16 PHE N N 14 119.591 118.033 1.558 1
1 147 . 3 1 1 A 17 17 GLU H H 15 8.749 9.416 -0.667 1
1 148 . 3 1 1 A 17 17 GLU HA H 15 4.579 4.235 0.344 1
1 153 . 3 1 1 A 17 17 GLU C C 15 176.809 177.600 -0.791 1
1 154 . 3 1 1 A 17 17 GLU CA C 15 56.395 56.663 -0.268 1
1 155 . 3 1 1 A 17 17 GLU CB C 15 30.932 30.163 0.769 1
1 157 . 3 1 1 A 17 17 GLU N N 15 122.719 122.498 0.221 1
1 158 . 3 1 1 A 18 18 SER H H 16 8.764 8.962 -0.198 1
1 159 . 3 1 1 A 18 18 SER HA H 16 4.697 4.434 0.263 1
1 162 . 3 1 1 A 18 18 SER CA C 16 59.637 59.927 -0.290 1
1 163 . 3 1 1 A 18 18 SER CB C 16 64.708 64.222 0.486 1
1 164 . 3 1 1 A 18 18 SER N N 16 118.765 122.768 -4.003 1
1 165 . 3 1 1 A 19 19 HIS H H 17 8.617 7.901 0.716 1
1 166 . 3 1 1 A 19 19 HIS HA H 17 4.770 4.922 -0.152 1
1 171 . 3 1 1 A 19 19 HIS C C 17 174.658 173.861 0.797 1
1 172 . 3 1 1 A 19 19 HIS CA C 17 56.750 53.631 3.119 1
1 173 . 3 1 1 A 19 19 HIS CB C 17 29.718 30.510 -0.792 1
1 176 . 3 1 1 A 19 19 HIS N N 17 119.651 120.254 -0.603 1
1 177 . 3 1 1 A 20 20 VAL H H 18 7.360 9.008 -1.648 1
1 178 . 3 1 1 A 20 20 VAL HA H 18 4.100 4.680 -0.580 1
1 186 . 3 1 1 A 20 20 VAL C C 18 174.424 174.728 -0.304 1
1 187 . 3 1 1 A 20 20 VAL CA C 18 62.252 60.869 1.383 1
1 188 . 3 1 1 A 20 20 VAL CB C 18 34.146 35.267 -1.121 1
1 191 . 3 1 1 A 20 20 VAL N N 18 121.352 127.455 -6.103 1
1 192 . 3 1 1 A 21 21 ALA H H 19 8.570 8.636 -0.066 1
1 193 . 3 1 1 A 21 21 ALA HA H 19 4.345 4.421 -0.076 1
1 197 . 3 1 1 A 21 21 ALA C C 19 177.570 177.589 -0.019 1
1 198 . 3 1 1 A 21 21 ALA CA C 19 50.997 50.466 0.531 1
1 199 . 3 1 1 A 21 21 ALA CB C 19 19.579 20.181 -0.602 1
1 200 . 3 1 1 A 21 21 ALA N N 19 131.401 130.418 0.983 1
1 201 . 3 1 1 A 22 22 ARG H H 20 7.838 7.882 -0.044 1
1 202 . 3 1 1 A 22 22 ARG HA H 20 2.545 2.828 -0.283 1
1 209 . 3 1 1 A 22 22 ARG C C 20 178.258 177.539 0.719 1
1 210 . 3 1 1 A 22 22 ARG CA C 20 59.407 58.826 0.581 1
1 211 . 3 1 1 A 22 22 ARG CB C 20 29.433 29.087 0.346 1
1 214 . 3 1 1 A 22 22 ARG N N 20 124.465 122.830 1.635 1
1 215 . 3 1 1 A 23 23 ALA H H 21 8.203 7.485 0.718 1
1 216 . 3 1 1 A 23 23 ALA HA H 21 4.069 4.076 -0.007 1
1 220 . 3 1 1 A 23 23 ALA C C 21 177.995 179.118 -1.123 1
1 221 . 3 1 1 A 23 23 ALA CA C 21 54.000 53.824 0.176 1
1 222 . 3 1 1 A 23 23 ALA CB C 21 18.722 18.224 0.498 1
1 223 . 3 1 1 A 23 23 ALA N N 21 117.242 120.649 -3.407 1
1 224 . 3 1 1 A 24 24 ASN H H 22 7.739 7.749 -0.010 1
1 225 . 3 1 1 A 24 24 ASN HA H 22 4.988 4.673 0.315 1
1 230 . 3 1 1 A 24 24 ASN C C 22 174.848 175.627 -0.779 1
1 231 . 3 1 1 A 24 24 ASN CA C 22 52.509 54.969 -2.460 1
1 232 . 3 1 1 A 24 24 ASN CB C 22 40.358 39.155 1.203 1
1 233 . 3 1 1 A 24 24 ASN N N 22 112.861 116.275 -3.414 1
1 235 . 3 1 1 A 25 25 VAL H H 23 7.524 7.163 0.361 1
1 236 . 3 1 1 A 25 25 VAL HA H 23 4.272 3.913 0.359 1
1 244 . 3 1 1 A 25 25 VAL C C 23 175.755 175.496 0.259 1
1 245 . 3 1 1 A 25 25 VAL CA C 23 62.859 63.507 -0.648 1
1 246 . 3 1 1 A 25 25 VAL CB C 23 33.432 32.084 1.348 1
1 249 . 3 1 1 A 25 25 VAL N N 23 119.883 118.237 1.646 1
1 250 . 3 1 1 A 26 26 LYS H H 24 9.527 9.198 0.329 1
1 251 . 3 1 1 A 26 26 LYS HA H 24 4.298 4.318 -0.020 1
1 260 . 3 1 1 A 26 26 LYS C C 24 176.634 176.725 -0.091 1
1 261 . 3 1 1 A 26 26 LYS CA C 24 58.989 57.996 0.993 1
1 262 . 3 1 1 A 26 26 LYS CB C 24 34.390 32.844 1.546 1
1 266 . 3 1 1 A 26 26 LYS N N 24 128.312 127.482 0.830 1
1 267 . 3 1 1 A 27 27 HIS H H 25 7.214 7.490 -0.276 1
1 268 . 3 1 1 A 27 27 HIS HA H 25 4.965 5.078 -0.113 1
1 273 . 3 1 1 A 27 27 HIS C C 25 172.740 172.627 0.113 1
1 274 . 3 1 1 A 27 27 HIS CA C 25 55.328 54.786 0.542 1
1 275 . 3 1 1 A 27 27 HIS CB C 25 32.882 31.646 1.236 1
1 278 . 3 1 1 A 27 27 HIS N N 25 109.505 113.917 -4.412 1
1 279 . 3 1 1 A 28 28 LEU H H 26 8.066 9.033 -0.967 1
1 280 . 3 1 1 A 28 28 LEU HA H 26 5.156 5.569 -0.413 1
1 290 . 3 1 1 A 28 28 LEU C C 26 175.346 174.925 0.421 1
1 291 . 3 1 1 A 28 28 LEU CA C 26 53.466 53.176 0.290 1
1 292 . 3 1 1 A 28 28 LEU CB C 26 45.200 44.245 0.955 1
1 296 . 3 1 1 A 28 28 LEU N N 26 116.963 120.153 -3.190 1
1 297 . 3 1 1 A 29 29 LYS H H 27 9.549 9.519 0.030 1
1 298 . 3 1 1 A 29 29 LYS HA H 27 5.353 5.061 0.292 1
1 307 . 3 1 1 A 29 29 LYS C C 27 174.716 175.020 -0.304 1
1 308 . 3 1 1 A 29 29 LYS CA C 27 55.118 54.691 0.427 1
1 309 . 3 1 1 A 29 29 LYS CB C 27 35.144 35.308 -0.164 1
1 313 . 3 1 1 A 29 29 LYS N N 27 123.299 125.014 -1.715 1
1 314 . 3 1 1 A 30 30 ILE H H 28 9.140 9.034 0.106 1
1 315 . 3 1 1 A 30 30 ILE HA H 28 4.910 5.055 -0.145 1
1 325 . 3 1 1 A 30 30 ILE C C 28 176.970 175.217 1.753 1
1 326 . 3 1 1 A 30 30 ILE CA C 28 60.390 59.566 0.824 1
1 327 . 3 1 1 A 30 30 ILE CB C 28 39.603 38.267 1.336 1
1 331 . 3 1 1 A 30 30 ILE N N 28 123.823 128.577 -4.754 1
1 332 . 3 1 1 A 31 31 LEU H H 29 8.866 9.277 -0.411 1
1 333 . 3 1 1 A 31 31 LEU HA H 29 4.580 4.443 0.137 1
1 342 . 3 1 1 A 31 31 LEU C C 29 175.975 176.559 -0.584 1
1 343 . 3 1 1 A 31 31 LEU CA C 29 55.474 54.231 1.243 1
1 344 . 3 1 1 A 31 31 LEU CB C 29 42.749 42.254 0.495 1
1 347 . 3 1 1 A 31 31 LEU N N 29 128.835 129.270 -0.435 1
1 348 . 3 1 1 A 32 32 ASN H H 30 8.211 8.617 -0.406 1
1 349 . 3 1 1 A 32 32 ASN HA H 30 4.998 4.958 0.040 1
1 354 . 3 1 1 A 32 32 ASN C C 30 174.658 174.148 0.510 1
1 355 . 3 1 1 A 32 32 ASN CA C 30 52.524 52.493 0.031 1
1 356 . 3 1 1 A 32 32 ASN CB C 30 38.978 39.176 -0.198 1
1 357 . 3 1 1 A 32 32 ASN N N 30 120.696 122.457 -1.761 1
1 359 . 3 1 1 A 33 33 THR H H 31 7.925 8.560 -0.635 1
1 360 . 3 1 1 A 33 33 THR HA H 31 4.784 4.659 0.125 1
1 365 . 3 1 1 A 33 33 THR CA C 31 58.046 59.081 -1.035 1
1 366 . 3 1 1 A 33 33 THR CB C 31 70.341 71.189 -0.848 1
1 368 . 3 1 1 A 33 33 THR N N 31 116.303 120.521 -4.218 1
1 369 . 3 1 1 A 34 34 PRO HA H 32 4.300 4.237 0.063 1
1 376 . 3 1 1 A 34 34 PRO C C 32 176.765 177.987 -1.222 1
1 377 . 3 1 1 A 34 34 PRO CA C 32 65.164 65.383 -0.219 1
1 378 . 3 1 1 A 34 34 PRO CB C 32 32.484 31.580 0.904 1
1 381 . 3 1 1 A 35 35 ASN H H 33 8.294 8.253 0.041 1
1 382 . 3 1 1 A 35 35 ASN C C 33 174.541 174.851 -0.310 1
1 383 . 3 1 1 A 35 35 ASN N N 33 120.212 114.178 6.034 1
1 384 . 3 1 1 A 36 36 CYS H H 34 7.561 7.688 -0.127 1
1 385 . 3 1 1 A 36 36 CYS HA H 34 4.884 4.923 -0.039 1
1 388 . 3 1 1 A 36 36 CYS C C 34 173.838 173.578 0.260 1
1 389 . 3 1 1 A 36 36 CYS CA C 34 55.139 54.966 0.173 1
1 390 . 3 1 1 A 36 36 CYS CB C 34 45.200 45.079 0.121 1
1 391 . 3 1 1 A 36 36 CYS N N 34 116.986 115.846 1.140 1
1 392 . 3 1 1 A 37 37 ALA H H 35 8.520 8.701 -0.181 1
1 393 . 3 1 1 A 37 37 ALA HA H 35 4.233 4.233 0.000 1
1 397 . 3 1 1 A 37 37 ALA C C 35 176.326 177.505 -1.179 1
1 398 . 3 1 1 A 37 37 ALA CA C 35 53.152 54.109 -0.957 1
1 399 . 3 1 1 A 37 37 ALA CB C 35 18.930 19.782 -0.852 1
1 400 . 3 1 1 A 37 37 ALA N N 35 125.167 124.871 0.296 1
1 401 . 3 1 1 A 38 38 CYS H H 36 8.343 7.785 0.558 1
1 402 . 3 1 1 A 38 38 CYS HA H 36 4.213 4.719 -0.506 1
1 405 . 3 1 1 A 38 38 CYS C C 36 173.589 172.574 1.015 1
1 406 . 3 1 1 A 38 38 CYS CA C 36 58.487 57.912 0.575 1
1 407 . 3 1 1 A 38 38 CYS CB C 36 45.702 30.140 15.562 1
1 408 . 3 1 1 A 38 38 CYS N N 36 118.786 114.237 4.549 1
1 409 . 3 1 1 A 39 39 GLN H H 37 8.988 8.923 0.065 1
1 410 . 3 1 1 A 39 39 GLN HA H 37 4.573 4.966 -0.393 1
1 417 . 3 1 1 A 39 39 GLN C C 37 173.545 174.673 -1.128 1
1 418 . 3 1 1 A 39 39 GLN CA C 37 54.491 54.438 0.053 1
1 419 . 3 1 1 A 39 39 GLN CB C 37 31.876 30.430 1.446 1
1 421 . 3 1 1 A 39 39 GLN N N 37 128.825 125.788 3.037 1
1 423 . 3 1 1 A 40 40 ILE H H 38 8.967 9.042 -0.075 1
1 424 . 3 1 1 A 40 40 ILE HA H 38 5.095 5.234 -0.139 1
1 434 . 3 1 1 A 40 40 ILE C C 38 174.336 174.736 -0.400 1
1 435 . 3 1 1 A 40 40 ILE CA C 38 60.620 59.872 0.748 1
1 436 . 3 1 1 A 40 40 ILE CB C 38 40.235 40.889 -0.654 1
1 440 . 3 1 1 A 40 40 ILE N N 38 124.006 124.802 -0.796 1
1 441 . 3 1 1 A 41 41 VAL H H 39 9.130 9.341 -0.211 1
1 442 . 3 1 1 A 41 41 VAL HA H 39 4.926 5.037 -0.111 1
1 450 . 3 1 1 A 41 41 VAL C C 39 175.492 174.641 0.851 1
1 451 . 3 1 1 A 41 41 VAL CA C 39 59.993 60.951 -0.958 1
1 452 . 3 1 1 A 41 41 VAL CB C 39 35.270 34.203 1.067 1
1 455 . 3 1 1 A 41 41 VAL N N 39 125.973 127.526 -1.553 1
1 456 . 3 1 1 A 42 42 ALA H H 40 9.558 9.278 0.280 1
1 457 . 3 1 1 A 42 42 ALA HA H 40 5.123 5.506 -0.383 1
1 461 . 3 1 1 A 42 42 ALA C C 40 175.931 175.495 0.436 1
1 462 . 3 1 1 A 42 42 ALA CA C 40 50.558 49.875 0.683 1
1 463 . 3 1 1 A 42 42 ALA CB C 40 22.072 22.640 -0.568 1
1 464 . 3 1 1 A 42 42 ALA N N 40 128.264 129.321 -1.057 1
1 465 . 3 1 1 A 43 43 ARG H H 41 7.707 8.264 -0.557 1
1 466 . 3 1 1 A 43 43 ARG HA H 41 4.966 5.094 -0.128 1
1 473 . 3 1 1 A 43 43 ARG C C 41 175.477 174.899 0.578 1
1 474 . 3 1 1 A 43 43 ARG CA C 41 54.000 54.188 -0.188 1
1 475 . 3 1 1 A 43 43 ARG CB C 41 31.122 33.068 -1.946 1
1 478 . 3 1 1 A 43 43 ARG N N 41 121.647 122.333 -0.686 1
1 479 . 3 1 1 A 44 44 LEU H H 42 9.183 8.612 0.571 1
1 480 . 3 1 1 A 44 44 LEU HA H 42 5.009 4.553 0.456 1
1 490 . 3 1 1 A 44 44 LEU C C 42 177.848 176.226 1.622 1
1 491 . 3 1 1 A 44 44 LEU CA C 42 54.596 54.020 0.576 1
1 492 . 3 1 1 A 44 44 LEU CB C 42 41.806 42.406 -0.600 1
1 496 . 3 1 1 A 44 44 LEU N N 42 128.821 127.977 0.844 1
1 497 . 3 1 1 A 45 45 LYS H H 43 8.449 8.682 -0.233 1
1 498 . 3 1 1 A 45 45 LYS N N 43 119.659 123.699 -4.040 1
1 499 . 3 1 1 A 48 48 ASN HA H 46 4.716 4.740 -0.024 1
1 504 . 3 1 1 A 48 48 ASN C C 46 175.155 174.894 0.261 1
1 505 . 3 1 1 A 48 48 ASN CA C 46 54.616 51.982 2.634 1
1 506 . 3 1 1 A 48 48 ASN CB C 46 39.292 40.242 -0.950 1
1 508 . 3 1 1 A 49 49 ARG H H 47 7.926 8.637 -0.711 1
1 509 . 3 1 1 A 49 49 ARG HA H 47 4.274 4.929 -0.655 1
1 516 . 3 1 1 A 49 49 ARG C C 47 175.433 174.414 1.019 1
1 517 . 3 1 1 A 49 49 ARG CA C 47 57.252 53.894 3.358 1
1 518 . 3 1 1 A 49 49 ARG CB C 47 32.128 31.842 0.286 1
1 521 . 3 1 1 A 49 49 ARG N N 47 120.086 118.274 1.812 1
1 522 . 3 1 1 A 50 50 GLN H H 48 8.542 8.691 -0.149 1
1 523 . 3 1 1 A 50 50 GLN HA H 48 5.478 5.076 0.402 1
1 528 . 3 1 1 A 50 50 GLN C C 48 175.697 174.834 0.863 1
1 529 . 3 1 1 A 50 50 GLN CA C 48 55.077 54.406 0.671 1
1 530 . 3 1 1 A 50 50 GLN CB C 48 31.751 31.834 -0.083 1
1 532 . 3 1 1 A 50 50 GLN N N 48 120.774 119.982 0.792 1
1 533 . 3 1 1 A 51 51 VAL H H 49 8.710 9.328 -0.618 1
1 534 . 3 1 1 A 51 51 VAL HA H 49 4.781 4.840 -0.059 1
1 542 . 3 1 1 A 51 51 VAL C C 49 175.185 173.551 1.634 1
1 543 . 3 1 1 A 51 51 VAL CA C 49 59.344 58.912 0.432 1
1 544 . 3 1 1 A 51 51 VAL CB C 49 36.024 35.686 0.338 1
1 547 . 3 1 1 A 51 51 VAL N N 49 117.392 118.813 -1.421 1
1 548 . 3 1 1 A 52 52 CYS H H 50 9.184 8.932 0.252 1
1 549 . 3 1 1 A 52 52 CYS HA H 50 5.313 5.411 -0.098 1
1 552 . 3 1 1 A 52 52 CYS C C 50 174.380 173.508 0.872 1
1 553 . 3 1 1 A 52 52 CYS CA C 50 57.984 54.211 3.773 1
1 554 . 3 1 1 A 52 52 CYS CB C 50 42.661 45.348 -2.687 1
1 555 . 3 1 1 A 52 52 CYS N N 50 124.238 120.727 3.511 1
1 556 . 3 1 1 A 53 53 ILE H H 51 8.434 9.664 -1.230 1
1 557 . 3 1 1 A 53 53 ILE HA H 51 4.928 5.367 -0.439 1
1 567 . 3 1 1 A 53 53 ILE C C 51 172.931 173.431 -0.500 1
1 568 . 3 1 1 A 53 53 ILE CA C 51 58.675 59.115 -0.440 1
1 569 . 3 1 1 A 53 53 ILE CB C 51 42.309 41.839 0.470 1
1 573 . 3 1 1 A 53 53 ILE N N 51 122.034 120.998 1.036 1
1 574 . 3 1 1 A 54 54 ASP H H 52 7.702 8.619 -0.917 1
1 575 . 3 1 1 A 54 54 ASP HA H 52 3.426 4.896 -1.470 1
1 578 . 3 1 1 A 54 54 ASP CA C 52 51.251 50.177 1.074 1
1 579 . 3 1 1 A 54 54 ASP CB C 52 42.515 42.803 -0.288 1
1 580 . 3 1 1 A 54 54 ASP N N 52 125.815 122.003 3.812 1
1 581 . 3 1 1 A 55 55 PRO HA H 53 3.986 4.170 -0.184 1
1 588 . 3 1 1 A 55 55 PRO C C 53 176.034 177.827 -1.793 1
1 589 . 3 1 1 A 55 55 PRO CA C 53 63.947 64.118 -0.171 1
1 590 . 3 1 1 A 55 55 PRO CB C 53 33.000 31.634 1.366 1
1 593 . 3 1 1 A 56 56 LYS H H 54 7.889 8.539 -0.650 1
1 594 . 3 1 1 A 56 56 LYS HA H 54 3.993 3.979 0.014 1
1 603 . 3 1 1 A 56 56 LYS C C 54 177.922 177.436 0.486 1
1 604 . 3 1 1 A 56 56 LYS CA C 54 56.729 58.606 -1.877 1
1 605 . 3 1 1 A 56 56 LYS CB C 54 31.751 31.613 0.138 1
1 609 . 3 1 1 A 56 56 LYS N N 54 112.456 117.939 -5.483 1
1 610 . 3 1 1 A 57 57 LEU H H 55 7.157 7.118 0.039 1
1 611 . 3 1 1 A 57 57 LEU HA H 55 4.040 4.109 -0.069 1
1 621 . 3 1 1 A 57 57 LEU C C 55 179.268 177.119 2.149 1
1 622 . 3 1 1 A 57 57 LEU CA C 55 55.997 55.310 0.687 1
1 623 . 3 1 1 A 57 57 LEU CB C 55 42.309 41.504 0.805 1
1 627 . 3 1 1 A 57 57 LEU N N 55 120.452 120.574 -0.122 1
1 628 . 3 1 1 A 58 58 LYS H H 56 8.731 8.805 -0.074 1
1 629 . 3 1 1 A 58 58 LYS HA H 56 3.913 3.883 0.030 1
1 638 . 3 1 1 A 58 58 LYS C C 56 178.917 178.490 0.427 1
1 639 . 3 1 1 A 58 58 LYS CA C 56 60.202 59.084 1.118 1
1 640 . 3 1 1 A 58 58 LYS CB C 56 32.253 32.195 0.058 1
1 644 . 3 1 1 A 58 58 LYS N N 56 125.307 126.395 -1.088 1
1 645 . 3 1 1 A 59 59 TRP H H 57 7.884 8.189 -0.305 1
1 646 . 3 1 1 A 59 59 TRP HA H 57 4.637 4.764 -0.127 1
1 654 . 3 1 1 A 59 59 TRP C C 57 178.829 179.441 -0.612 1
1 655 . 3 1 1 A 59 59 TRP CA C 57 58.779 59.872 -1.093 1
1 656 . 3 1 1 A 59 59 TRP CB C 57 27.854 28.022 -0.168 1
1 662 . 3 1 1 A 59 59 TRP N N 57 113.503 119.213 -5.710 1
1 663 . 3 1 1 A 60 60 ILE H H 58 6.449 7.302 -0.853 1
1 664 . 3 1 1 A 60 60 ILE HA H 58 3.284 3.263 0.021 1
1 674 . 3 1 1 A 60 60 ILE C C 58 177.687 177.457 0.230 1
1 675 . 3 1 1 A 60 60 ILE CA C 58 64.177 64.953 -0.776 1
1 676 . 3 1 1 A 60 60 ILE CB C 58 35.710 37.539 -1.829 1
1 680 . 3 1 1 A 60 60 ILE N N 58 124.379 122.378 2.001 1
1 681 . 3 1 1 A 61 61 GLN H H 59 7.646 7.530 0.116 1
1 682 . 3 1 1 A 61 61 GLN HA H 59 3.738 4.051 -0.313 1
1 689 . 3 1 1 A 61 61 GLN C C 59 178.361 178.994 -0.633 1
1 690 . 3 1 1 A 61 61 GLN CA C 59 59.302 59.091 0.211 1
1 691 . 3 1 1 A 61 61 GLN CB C 59 28.357 27.907 0.450 1
1 693 . 3 1 1 A 61 61 GLN N N 59 118.966 118.527 0.439 1
1 695 . 3 1 1 A 62 62 GLU H H 60 8.075 7.662 0.413 1
1 696 . 3 1 1 A 62 62 GLU HA H 60 4.076 4.163 -0.087 1
1 701 . 3 1 1 A 62 62 GLU C C 60 179.019 178.426 0.593 1
1 702 . 3 1 1 A 62 62 GLU CA C 60 59.637 58.804 0.833 1
1 703 . 3 1 1 A 62 62 GLU CB C 60 30.368 29.520 0.848 1
1 705 . 3 1 1 A 62 62 GLU N N 60 117.105 121.054 -3.949 1
1 706 . 3 1 1 A 63 63 TYR H H 61 7.922 8.087 -0.165 1
1 707 . 3 1 1 A 63 63 TYR HA H 61 4.237 4.337 -0.100 1
1 714 . 3 1 1 A 63 63 TYR C C 61 178.551 177.983 0.568 1
1 715 . 3 1 1 A 63 63 TYR CA C 61 61.206 61.538 -0.332 1
1 716 . 3 1 1 A 63 63 TYR CB C 61 39.669 39.050 0.619 1
1 719 . 3 1 1 A 63 63 TYR N N 61 121.402 122.983 -1.581 1
1 720 . 3 1 1 A 64 64 LEU H H 62 8.227 7.912 0.315 1
1 721 . 3 1 1 A 64 64 LEU HA H 62 3.957 4.153 -0.196 1
1 731 . 3 1 1 A 64 64 LEU C C 62 179.458 178.973 0.485 1
1 732 . 3 1 1 A 64 64 LEU CA C 62 57.880 58.168 -0.288 1
1 733 . 3 1 1 A 64 64 LEU CB C 62 42.434 41.197 1.237 1
1 737 . 3 1 1 A 64 64 LEU N N 62 116.209 119.236 -3.027 1
1 738 . 3 1 1 A 65 65 GLU H H 63 8.472 8.240 0.232 1
1 739 . 3 1 1 A 65 65 GLU HA H 63 3.827 3.929 -0.102 1
1 744 . 3 1 1 A 65 65 GLU C C 63 179.166 179.460 -0.294 1
1 745 . 3 1 1 A 65 65 GLU CA C 63 60.265 59.669 0.596 1
1 746 . 3 1 1 A 65 65 GLU CB C 63 29.739 29.129 0.610 1
1 748 . 3 1 1 A 65 65 GLU N N 63 118.559 118.903 -0.344 1
1 749 . 3 1 1 A 66 66 LYS H H 64 7.554 7.647 -0.093 1
1 750 . 3 1 1 A 66 66 LYS HA H 64 4.215 4.086 0.129 1
1 759 . 3 1 1 A 66 66 LYS C C 64 178.302 178.273 0.029 1
1 760 . 3 1 1 A 66 66 LYS CA C 64 58.481 58.691 -0.210 1
1 761 . 3 1 1 A 66 66 LYS CB C 64 32.505 32.197 0.308 1
1 765 . 3 1 1 A 66 66 LYS N N 64 117.056 119.327 -2.271 1
1 766 . 3 1 1 A 67 67 CYS H H 65 7.918 7.887 0.031 1
1 767 . 3 1 1 A 67 67 CYS HA H 65 4.532 4.527 0.005 1
1 770 . 3 1 1 A 67 67 CYS C C 65 174.775 174.945 -0.170 1
1 771 . 3 1 1 A 67 67 CYS CA C 65 56.102 60.707 -4.605 1
1 772 . 3 1 1 A 67 67 CYS CB C 65 45.325 28.794 16.531 1
1 773 . 3 1 1 A 67 67 CYS N N 65 115.236 115.835 -0.599 1
1 774 . 3 1 1 A 68 68 LEU H H 66 7.558 7.238 0.320 1
1 775 . 3 1 1 A 68 68 LEU HA H 66 4.520 4.300 0.220 1
1 785 . 3 1 1 A 68 68 LEU C C 66 176.765 177.246 -0.481 1
1 786 . 3 1 1 A 68 68 LEU CA C 66 55.202 55.332 -0.130 1
1 787 . 3 1 1 A 68 68 LEU CB C 66 43.314 41.386 1.928 1
1 791 . 3 1 1 A 68 68 LEU N N 66 121.130 121.956 -0.826 1
1 792 . 3 1 1 A 69 69 ASN H H 67 8.306 8.970 -0.664 1
1 793 . 3 1 1 A 69 69 ASN HA H 67 4.639 4.268 0.371 1
1 798 . 3 1 1 A 69 69 ASN C C 67 174.189 174.680 -0.491 1
1 799 . 3 1 1 A 69 69 ASN CA C 67 53.654 55.972 -2.318 1
1 800 . 3 1 1 A 69 69 ASN CB C 67 38.978 36.437 2.541 1
1 801 . 3 1 1 A 69 69 ASN N N 67 120.313 118.429 1.884 1
1 3 . 4 1 1 A 4 4 PRO HA H 2 4.490 4.917 -0.427 1
1 10 . 4 1 1 A 4 4 PRO C C 2 177.102 176.847 0.255 1
1 11 . 4 1 1 A 4 4 PRO CA C 2 63.319 62.138 1.181 1
1 12 . 4 1 1 A 4 4 PRO CB C 2 32.575 32.592 -0.017 1
1 15 . 4 1 1 A 5 5 VAL H H 3 8.259 8.252 0.007 1
1 16 . 4 1 1 A 5 5 VAL HA H 3 4.117 4.376 -0.259 1
1 24 . 4 1 1 A 5 5 VAL C C 3 176.385 175.094 1.291 1
1 25 . 4 1 1 A 5 5 VAL CA C 3 62.629 61.038 1.591 1
1 26 . 4 1 1 A 5 5 VAL CB C 3 33.146 32.613 0.533 1
1 29 . 4 1 1 A 5 5 VAL N N 3 120.806 117.581 3.225 1
1 30 . 4 1 1 A 6 6 SER H H 4 8.345 8.895 -0.550 1
1 31 . 4 1 1 A 6 6 SER HA H 4 4.479 4.981 -0.502 1
1 34 . 4 1 1 A 6 6 SER C C 4 174.687 173.255 1.432 1
1 35 . 4 1 1 A 6 6 SER CA C 4 58.340 57.005 1.335 1
1 36 . 4 1 1 A 6 6 SER CB C 4 64.208 63.277 0.931 1
1 37 . 4 1 1 A 6 6 SER N N 4 119.332 122.058 -2.726 1
1 38 . 4 1 1 A 7 7 LEU H H 5 8.334 8.138 0.196 1
1 39 . 4 1 1 A 7 7 LEU HA H 5 4.384 4.838 -0.454 1
1 45 . 4 1 1 A 7 7 LEU C C 5 177.424 175.485 1.939 1
1 46 . 4 1 1 A 7 7 LEU CA C 5 55.495 54.261 1.234 1
1 47 . 4 1 1 A 7 7 LEU CB C 5 42.786 43.421 -0.635 1
1 49 . 4 1 1 A 7 7 LEU N N 5 124.942 127.507 -2.565 1
1 50 . 4 1 1 A 8 8 SER H H 6 8.198 8.924 -0.726 1
1 51 . 4 1 1 A 8 8 SER HA H 6 4.407 4.798 -0.391 1
1 54 . 4 1 1 A 8 8 SER C C 6 174.306 175.034 -0.728 1
1 55 . 4 1 1 A 8 8 SER CA C 6 58.696 58.330 0.366 1
1 56 . 4 1 1 A 8 8 SER CB C 6 64.136 64.216 -0.080 1
1 57 . 4 1 1 A 8 8 SER N N 6 116.070 121.397 -5.327 1
1 58 . 4 1 1 A 9 9 TYR H H 7 8.005 8.874 -0.869 1
1 59 . 4 1 1 A 9 9 TYR HA H 7 4.547 4.547 0.000 1
1 66 . 4 1 1 A 9 9 TYR C C 7 175.507 175.233 0.274 1
1 67 . 4 1 1 A 9 9 TYR CA C 7 58.236 59.637 -1.401 1
1 68 . 4 1 1 A 9 9 TYR CB C 7 39.144 38.164 0.980 1
1 71 . 4 1 1 A 9 9 TYR N N 7 122.102 124.141 -2.039 1
1 72 . 4 1 1 A 10 10 ARG H H 8 8.142 8.579 -0.437 1
1 73 . 4 1 1 A 10 10 ARG HA H 8 4.302 4.318 -0.016 1
1 80 . 4 1 1 A 10 10 ARG C C 8 175.946 174.954 0.992 1
1 81 . 4 1 1 A 10 10 ARG CA C 8 56.102 56.387 -0.285 1
1 82 . 4 1 1 A 10 10 ARG CB C 8 31.004 31.172 -0.168 1
1 85 . 4 1 1 A 10 10 ARG N N 8 122.105 120.971 1.134 1
1 86 . 4 1 1 A 11 11 CYS H H 9 8.185 8.474 -0.289 1
1 87 . 4 1 1 A 11 11 CYS HA H 9 4.952 5.072 -0.120 1
1 90 . 4 1 1 A 11 11 CYS CA C 9 53.192 53.830 -0.638 1
1 91 . 4 1 1 A 11 11 CYS CB C 9 40.250 44.684 -4.434 1
1 92 . 4 1 1 A 11 11 CYS N N 9 121.511 121.576 -0.065 1
1 93 . 4 1 1 A 12 12 PRO HA H 10 4.315 4.288 0.027 1
1 100 . 4 1 1 A 12 12 PRO C C 10 177.980 177.025 0.955 1
1 101 . 4 1 1 A 12 12 PRO CA C 10 65.345 65.486 -0.141 1
1 102 . 4 1 1 A 12 12 PRO CB C 10 32.575 31.369 1.206 1
1 105 . 4 1 1 A 13 13 CYS H H 11 8.719 8.334 0.385 1
1 106 . 4 1 1 A 13 13 CYS N N 11 115.047 114.986 0.061 1
1 107 . 4 1 1 A 14 14 ARG HA H 12 4.028 4.591 -0.563 1
1 114 . 4 1 1 A 14 14 ARG C C 12 175.097 176.072 -0.975 1
1 115 . 4 1 1 A 14 14 ARG CA C 12 57.503 56.566 0.937 1
1 116 . 4 1 1 A 14 14 ARG CB C 12 31.289 31.621 -0.332 1
1 119 . 4 1 1 A 15 15 PHE H H 13 7.607 8.016 -0.409 1
1 120 . 4 1 1 A 15 15 PHE HA H 13 4.497 4.959 -0.462 1
1 127 . 4 1 1 A 15 15 PHE C C 13 174.292 174.495 -0.203 1
1 128 . 4 1 1 A 15 15 PHE CA C 13 56.060 57.811 -1.751 1
1 129 . 4 1 1 A 15 15 PHE CB C 13 41.122 41.704 -0.582 1
1 132 . 4 1 1 A 15 15 PHE N N 13 116.487 121.430 -4.943 1
1 133 . 4 1 1 A 16 16 PHE H H 14 8.202 8.240 -0.038 1
1 134 . 4 1 1 A 16 16 PHE HA H 14 4.793 5.757 -0.964 1
1 141 . 4 1 1 A 16 16 PHE C C 14 175.433 171.951 3.482 1
1 142 . 4 1 1 A 16 16 PHE CA C 14 55.516 54.751 0.765 1
1 143 . 4 1 1 A 16 16 PHE CB C 14 41.096 42.414 -1.318 1
1 146 . 4 1 1 A 16 16 PHE N N 14 119.591 119.757 -0.166 1
1 147 . 4 1 1 A 17 17 GLU H H 15 8.749 9.228 -0.479 1
1 148 . 4 1 1 A 17 17 GLU HA H 15 4.579 4.160 0.419 1
1 153 . 4 1 1 A 17 17 GLU C C 15 176.809 177.431 -0.622 1
1 154 . 4 1 1 A 17 17 GLU CA C 15 56.395 56.291 0.104 1
1 155 . 4 1 1 A 17 17 GLU CB C 15 30.932 30.916 0.016 1
1 157 . 4 1 1 A 17 17 GLU N N 15 122.719 121.944 0.775 1
1 158 . 4 1 1 A 18 18 SER H H 16 8.764 8.614 0.150 1
1 159 . 4 1 1 A 18 18 SER HA H 16 4.697 4.267 0.430 1
1 162 . 4 1 1 A 18 18 SER CA C 16 59.637 60.081 -0.444 1
1 163 . 4 1 1 A 18 18 SER CB C 16 64.708 63.411 1.297 1
1 164 . 4 1 1 A 18 18 SER N N 16 118.765 120.876 -2.111 1
1 165 . 4 1 1 A 19 19 HIS H H 17 8.617 7.497 1.120 1
1 166 . 4 1 1 A 19 19 HIS HA H 17 4.770 5.077 -0.307 1
1 171 . 4 1 1 A 19 19 HIS C C 17 174.658 174.423 0.235 1
1 172 . 4 1 1 A 19 19 HIS CA C 17 56.750 53.577 3.173 1
1 173 . 4 1 1 A 19 19 HIS CB C 17 29.718 31.803 -2.085 1
1 176 . 4 1 1 A 19 19 HIS N N 17 119.651 121.467 -1.816 1
1 177 . 4 1 1 A 20 20 VAL H H 18 7.360 8.590 -1.230 1
1 178 . 4 1 1 A 20 20 VAL HA H 18 4.100 4.408 -0.308 1
1 186 . 4 1 1 A 20 20 VAL C C 18 174.424 173.052 1.372 1
1 187 . 4 1 1 A 20 20 VAL CA C 18 62.252 60.588 1.664 1
1 188 . 4 1 1 A 20 20 VAL CB C 18 34.146 35.366 -1.220 1
1 191 . 4 1 1 A 20 20 VAL N N 18 121.352 126.229 -4.877 1
1 192 . 4 1 1 A 21 21 ALA H H 19 8.570 8.485 0.085 1
1 193 . 4 1 1 A 21 21 ALA HA H 19 4.345 4.633 -0.288 1
1 197 . 4 1 1 A 21 21 ALA C C 19 177.570 177.514 0.056 1
1 198 . 4 1 1 A 21 21 ALA CA C 19 50.997 50.633 0.364 1
1 199 . 4 1 1 A 21 21 ALA CB C 19 19.579 21.203 -1.624 1
1 200 . 4 1 1 A 21 21 ALA N N 19 131.401 130.038 1.363 1
1 201 . 4 1 1 A 22 22 ARG H H 20 7.838 7.949 -0.111 1
1 202 . 4 1 1 A 22 22 ARG HA H 20 2.545 3.258 -0.713 1
1 209 . 4 1 1 A 22 22 ARG C C 20 178.258 177.470 0.788 1
1 210 . 4 1 1 A 22 22 ARG CA C 20 59.407 58.295 1.112 1
1 211 . 4 1 1 A 22 22 ARG CB C 20 29.433 29.274 0.159 1
1 214 . 4 1 1 A 22 22 ARG N N 20 124.465 122.496 1.969 1
1 215 . 4 1 1 A 23 23 ALA H H 21 8.203 7.584 0.619 1
1 216 . 4 1 1 A 23 23 ALA HA H 21 4.069 3.956 0.113 1
1 220 . 4 1 1 A 23 23 ALA C C 21 177.995 179.395 -1.400 1
1 221 . 4 1 1 A 23 23 ALA CA C 21 54.000 54.143 -0.143 1
1 222 . 4 1 1 A 23 23 ALA CB C 21 18.722 18.162 0.560 1
1 223 . 4 1 1 A 23 23 ALA N N 21 117.242 121.338 -4.096 1
1 224 . 4 1 1 A 24 24 ASN H H 22 7.739 7.881 -0.142 1
1 225 . 4 1 1 A 24 24 ASN HA H 22 4.988 4.660 0.328 1
1 230 . 4 1 1 A 24 24 ASN C C 22 174.848 175.614 -0.766 1
1 231 . 4 1 1 A 24 24 ASN CA C 22 52.509 54.732 -2.223 1
1 232 . 4 1 1 A 24 24 ASN CB C 22 40.358 39.234 1.124 1
1 233 . 4 1 1 A 24 24 ASN N N 22 112.861 116.349 -3.488 1
1 235 . 4 1 1 A 25 25 VAL H H 23 7.524 7.457 0.067 1
1 236 . 4 1 1 A 25 25 VAL HA H 23 4.272 3.932 0.340 1
1 244 . 4 1 1 A 25 25 VAL C C 23 175.755 175.588 0.167 1
1 245 . 4 1 1 A 25 25 VAL CA C 23 62.859 63.476 -0.617 1
1 246 . 4 1 1 A 25 25 VAL CB C 23 33.432 31.990 1.442 1
1 249 . 4 1 1 A 25 25 VAL N N 23 119.883 118.049 1.834 1
1 250 . 4 1 1 A 26 26 LYS H H 24 9.527 9.152 0.375 1
1 251 . 4 1 1 A 26 26 LYS HA H 24 4.298 4.348 -0.050 1
1 260 . 4 1 1 A 26 26 LYS C C 24 176.634 176.785 -0.151 1
1 261 . 4 1 1 A 26 26 LYS CA C 24 58.989 58.025 0.964 1
1 262 . 4 1 1 A 26 26 LYS CB C 24 34.390 33.048 1.342 1
1 266 . 4 1 1 A 26 26 LYS N N 24 128.312 127.699 0.613 1
1 267 . 4 1 1 A 27 27 HIS H H 25 7.214 7.547 -0.333 1
1 268 . 4 1 1 A 27 27 HIS HA H 25 4.965 5.542 -0.577 1
1 273 . 4 1 1 A 27 27 HIS C C 25 172.740 172.719 0.021 1
1 274 . 4 1 1 A 27 27 HIS CA C 25 55.328 54.808 0.520 1
1 275 . 4 1 1 A 27 27 HIS CB C 25 32.882 31.704 1.178 1
1 278 . 4 1 1 A 27 27 HIS N N 25 109.505 113.888 -4.383 1
1 279 . 4 1 1 A 28 28 LEU H H 26 8.066 8.856 -0.790 1
1 280 . 4 1 1 A 28 28 LEU HA H 26 5.156 5.692 -0.536 1
1 290 . 4 1 1 A 28 28 LEU C C 26 175.346 175.365 -0.019 1
1 291 . 4 1 1 A 28 28 LEU CA C 26 53.466 53.265 0.201 1
1 292 . 4 1 1 A 28 28 LEU CB C 26 45.200 45.162 0.038 1
1 296 . 4 1 1 A 28 28 LEU N N 26 116.963 119.946 -2.983 1
1 297 . 4 1 1 A 29 29 LYS H H 27 9.549 8.924 0.625 1
1 298 . 4 1 1 A 29 29 LYS HA H 27 5.353 5.206 0.147 1
1 307 . 4 1 1 A 29 29 LYS C C 27 174.716 174.386 0.330 1
1 308 . 4 1 1 A 29 29 LYS CA C 27 55.118 54.837 0.281 1
1 309 . 4 1 1 A 29 29 LYS CB C 27 35.144 35.955 -0.811 1
1 313 . 4 1 1 A 29 29 LYS N N 27 123.299 122.690 0.609 1
1 314 . 4 1 1 A 30 30 ILE H H 28 9.140 8.952 0.188 1
1 315 . 4 1 1 A 30 30 ILE HA H 28 4.910 5.062 -0.152 1
1 325 . 4 1 1 A 30 30 ILE C C 28 176.970 174.996 1.974 1
1 326 . 4 1 1 A 30 30 ILE CA C 28 60.390 59.532 0.858 1
1 327 . 4 1 1 A 30 30 ILE CB C 28 39.603 38.286 1.317 1
1 331 . 4 1 1 A 30 30 ILE N N 28 123.823 127.681 -3.858 1
1 332 . 4 1 1 A 31 31 LEU H H 29 8.866 9.463 -0.597 1
1 333 . 4 1 1 A 31 31 LEU HA H 29 4.580 4.611 -0.031 1
1 342 . 4 1 1 A 31 31 LEU C C 29 175.975 175.908 0.067 1
1 343 . 4 1 1 A 31 31 LEU CA C 29 55.474 54.021 1.453 1
1 344 . 4 1 1 A 31 31 LEU CB C 29 42.749 42.890 -0.141 1
1 347 . 4 1 1 A 31 31 LEU N N 29 128.835 129.021 -0.186 1
1 348 . 4 1 1 A 32 32 ASN H H 30 8.211 8.759 -0.548 1
1 349 . 4 1 1 A 32 32 ASN HA H 30 4.998 4.964 0.034 1
1 354 . 4 1 1 A 32 32 ASN C C 30 174.658 175.090 -0.432 1
1 355 . 4 1 1 A 32 32 ASN CA C 30 52.524 52.444 0.080 1
1 356 . 4 1 1 A 32 32 ASN CB C 30 38.978 39.176 -0.198 1
1 357 . 4 1 1 A 32 32 ASN N N 30 120.696 123.472 -2.776 1
1 359 . 4 1 1 A 33 33 THR H H 31 7.925 8.189 -0.264 1
1 360 . 4 1 1 A 33 33 THR HA H 31 4.784 5.002 -0.218 1
1 365 . 4 1 1 A 33 33 THR CA C 31 58.046 58.319 -0.273 1
1 366 . 4 1 1 A 33 33 THR CB C 31 70.341 70.033 0.308 1
1 368 . 4 1 1 A 33 33 THR N N 31 116.303 117.062 -0.759 1
1 369 . 4 1 1 A 34 34 PRO HA H 32 4.300 4.350 -0.050 1
1 376 . 4 1 1 A 34 34 PRO C C 32 176.765 177.600 -0.835 1
1 377 . 4 1 1 A 34 34 PRO CA C 32 65.164 65.603 -0.439 1
1 378 . 4 1 1 A 34 34 PRO CB C 32 32.484 31.714 0.770 1
1 381 . 4 1 1 A 35 35 ASN H H 33 8.294 8.091 0.203 1
1 382 . 4 1 1 A 35 35 ASN C C 33 174.541 174.973 -0.432 1
1 383 . 4 1 1 A 35 35 ASN N N 33 120.212 114.319 5.893 1
1 384 . 4 1 1 A 36 36 CYS H H 34 7.561 7.570 -0.009 1
1 385 . 4 1 1 A 36 36 CYS HA H 34 4.884 4.885 -0.001 1
1 388 . 4 1 1 A 36 36 CYS C C 34 173.838 173.284 0.554 1
1 389 . 4 1 1 A 36 36 CYS CA C 34 55.139 54.808 0.331 1
1 390 . 4 1 1 A 36 36 CYS CB C 34 45.200 45.566 -0.366 1
1 391 . 4 1 1 A 36 36 CYS N N 34 116.986 116.756 0.230 1
1 392 . 4 1 1 A 37 37 ALA H H 35 8.520 8.797 -0.277 1
1 393 . 4 1 1 A 37 37 ALA HA H 35 4.233 4.315 -0.082 1
1 397 . 4 1 1 A 37 37 ALA C C 35 176.326 177.321 -0.995 1
1 398 . 4 1 1 A 37 37 ALA CA C 35 53.152 54.129 -0.977 1
1 399 . 4 1 1 A 37 37 ALA CB C 35 18.930 19.351 -0.421 1
1 400 . 4 1 1 A 37 37 ALA N N 35 125.167 124.680 0.487 1
1 401 . 4 1 1 A 38 38 CYS H H 36 8.343 7.860 0.483 1
1 402 . 4 1 1 A 38 38 CYS HA H 36 4.213 4.741 -0.528 1
1 405 . 4 1 1 A 38 38 CYS C C 36 173.589 172.734 0.855 1
1 406 . 4 1 1 A 38 38 CYS CA C 36 58.487 57.666 0.821 1
1 407 . 4 1 1 A 38 38 CYS CB C 36 45.702 30.411 15.291 1
1 408 . 4 1 1 A 38 38 CYS N N 36 118.786 114.456 4.330 1
1 409 . 4 1 1 A 39 39 GLN H H 37 8.988 9.053 -0.065 1
1 410 . 4 1 1 A 39 39 GLN HA H 37 4.573 5.058 -0.485 1
1 417 . 4 1 1 A 39 39 GLN C C 37 173.545 174.648 -1.103 1
1 418 . 4 1 1 A 39 39 GLN CA C 37 54.491 54.229 0.262 1
1 419 . 4 1 1 A 39 39 GLN CB C 37 31.876 31.285 0.591 1
1 421 . 4 1 1 A 39 39 GLN N N 37 128.825 126.135 2.690 1
1 423 . 4 1 1 A 40 40 ILE H H 38 8.967 8.943 0.024 1
1 424 . 4 1 1 A 40 40 ILE HA H 38 5.095 5.206 -0.111 1
1 434 . 4 1 1 A 40 40 ILE C C 38 174.336 174.718 -0.382 1
1 435 . 4 1 1 A 40 40 ILE CA C 38 60.620 59.826 0.794 1
1 436 . 4 1 1 A 40 40 ILE CB C 38 40.235 40.609 -0.374 1
1 440 . 4 1 1 A 40 40 ILE N N 38 124.006 124.960 -0.954 1
1 441 . 4 1 1 A 41 41 VAL H H 39 9.130 9.239 -0.109 1
1 442 . 4 1 1 A 41 41 VAL HA H 39 4.926 4.854 0.072 1
1 450 . 4 1 1 A 41 41 VAL C C 39 175.492 174.354 1.138 1
1 451 . 4 1 1 A 41 41 VAL CA C 39 59.993 61.105 -1.112 1
1 452 . 4 1 1 A 41 41 VAL CB C 39 35.270 34.065 1.205 1
1 455 . 4 1 1 A 41 41 VAL N N 39 125.973 126.950 -0.977 1
1 456 . 4 1 1 A 42 42 ALA H H 40 9.558 9.210 0.348 1
1 457 . 4 1 1 A 42 42 ALA HA H 40 5.123 5.283 -0.160 1
1 461 . 4 1 1 A 42 42 ALA C C 40 175.931 175.176 0.755 1
1 462 . 4 1 1 A 42 42 ALA CA C 40 50.558 50.031 0.527 1
1 463 . 4 1 1 A 42 42 ALA CB C 40 22.072 21.321 0.751 1
1 464 . 4 1 1 A 42 42 ALA N N 40 128.264 129.130 -0.866 1
1 465 . 4 1 1 A 43 43 ARG H H 41 7.707 8.547 -0.840 1
1 466 . 4 1 1 A 43 43 ARG HA H 41 4.966 4.843 0.123 1
1 473 . 4 1 1 A 43 43 ARG C C 41 175.477 175.048 0.429 1
1 474 . 4 1 1 A 43 43 ARG CA C 41 54.000 54.419 -0.419 1
1 475 . 4 1 1 A 43 43 ARG CB C 41 31.122 32.901 -1.779 1
1 478 . 4 1 1 A 43 43 ARG N N 41 121.647 123.725 -2.078 1
1 479 . 4 1 1 A 44 44 LEU H H 42 9.183 8.681 0.502 1
1 480 . 4 1 1 A 44 44 LEU HA H 42 5.009 4.880 0.129 1
1 490 . 4 1 1 A 44 44 LEU C C 42 177.848 177.576 0.272 1
1 491 . 4 1 1 A 44 44 LEU CA C 42 54.596 53.432 1.164 1
1 492 . 4 1 1 A 44 44 LEU CB C 42 41.806 43.627 -1.821 1
1 496 . 4 1 1 A 44 44 LEU N N 42 128.821 127.325 1.496 1
1 497 . 4 1 1 A 45 45 LYS H H 43 8.449 8.318 0.131 1
1 498 . 4 1 1 A 45 45 LYS N N 43 119.659 118.339 1.320 1
1 499 . 4 1 1 A 48 48 ASN HA H 46 4.716 5.051 -0.335 1
1 504 . 4 1 1 A 48 48 ASN C C 46 175.155 174.811 0.344 1
1 505 . 4 1 1 A 48 48 ASN CA C 46 54.616 52.119 2.497 1
1 506 . 4 1 1 A 48 48 ASN CB C 46 39.292 40.428 -1.136 1
1 508 . 4 1 1 A 49 49 ARG H H 47 7.926 8.503 -0.577 1
1 509 . 4 1 1 A 49 49 ARG HA H 47 4.274 4.742 -0.468 1
1 516 . 4 1 1 A 49 49 ARG C C 47 175.433 174.669 0.764 1
1 517 . 4 1 1 A 49 49 ARG CA C 47 57.252 54.157 3.095 1
1 518 . 4 1 1 A 49 49 ARG CB C 47 32.128 31.572 0.556 1
1 521 . 4 1 1 A 49 49 ARG N N 47 120.086 118.297 1.789 1
1 522 . 4 1 1 A 50 50 GLN H H 48 8.542 8.565 -0.023 1
1 523 . 4 1 1 A 50 50 GLN HA H 48 5.478 5.014 0.464 1
1 528 . 4 1 1 A 50 50 GLN C C 48 175.697 175.428 0.269 1
1 529 . 4 1 1 A 50 50 GLN CA C 48 55.077 54.934 0.143 1
1 530 . 4 1 1 A 50 50 GLN CB C 48 31.751 30.218 1.533 1
1 532 . 4 1 1 A 50 50 GLN N N 48 120.774 120.495 0.279 1
1 533 . 4 1 1 A 51 51 VAL H H 49 8.710 9.258 -0.548 1
1 534 . 4 1 1 A 51 51 VAL HA H 49 4.781 4.864 -0.083 1
1 542 . 4 1 1 A 51 51 VAL C C 49 175.185 174.019 1.166 1
1 543 . 4 1 1 A 51 51 VAL CA C 49 59.344 58.996 0.348 1
1 544 . 4 1 1 A 51 51 VAL CB C 49 36.024 35.322 0.702 1
1 547 . 4 1 1 A 51 51 VAL N N 49 117.392 118.705 -1.313 1
1 548 . 4 1 1 A 52 52 CYS H H 50 9.184 8.590 0.594 1
1 549 . 4 1 1 A 52 52 CYS HA H 50 5.313 5.426 -0.113 1
1 552 . 4 1 1 A 52 52 CYS C C 50 174.380 173.356 1.024 1
1 553 . 4 1 1 A 52 52 CYS CA C 50 57.984 54.513 3.471 1
1 554 . 4 1 1 A 52 52 CYS CB C 50 42.661 43.760 -1.099 1
1 555 . 4 1 1 A 52 52 CYS N N 50 124.238 119.785 4.453 1
1 556 . 4 1 1 A 53 53 ILE H H 51 8.434 9.387 -0.953 1
1 557 . 4 1 1 A 53 53 ILE HA H 51 4.928 5.242 -0.314 1
1 567 . 4 1 1 A 53 53 ILE C C 51 172.931 173.271 -0.340 1
1 568 . 4 1 1 A 53 53 ILE CA C 51 58.675 59.010 -0.335 1
1 569 . 4 1 1 A 53 53 ILE CB C 51 42.309 41.793 0.516 1
1 573 . 4 1 1 A 53 53 ILE N N 51 122.034 119.575 2.459 1
1 574 . 4 1 1 A 54 54 ASP H H 52 7.702 8.667 -0.965 1
1 575 . 4 1 1 A 54 54 ASP HA H 52 3.426 4.868 -1.442 1
1 578 . 4 1 1 A 54 54 ASP CA C 52 51.251 50.269 0.982 1
1 579 . 4 1 1 A 54 54 ASP CB C 52 42.515 42.145 0.370 1
1 580 . 4 1 1 A 54 54 ASP N N 52 125.815 121.986 3.829 1
1 581 . 4 1 1 A 55 55 PRO HA H 53 3.986 4.194 -0.208 1
1 588 . 4 1 1 A 55 55 PRO C C 53 176.034 177.518 -1.484 1
1 589 . 4 1 1 A 55 55 PRO CA C 53 63.947 64.092 -0.145 1
1 590 . 4 1 1 A 55 55 PRO CB C 53 33.000 31.634 1.366 1
1 593 . 4 1 1 A 56 56 LYS H H 54 7.889 8.203 -0.314 1
1 594 . 4 1 1 A 56 56 LYS HA H 54 3.993 4.062 -0.069 1
1 603 . 4 1 1 A 56 56 LYS C C 54 177.922 176.864 1.058 1
1 604 . 4 1 1 A 56 56 LYS CA C 54 56.729 57.799 -1.070 1
1 605 . 4 1 1 A 56 56 LYS CB C 54 31.751 32.379 -0.628 1
1 609 . 4 1 1 A 56 56 LYS N N 54 112.456 116.709 -4.253 1
1 610 . 4 1 1 A 57 57 LEU H H 55 7.157 6.990 0.167 1
1 611 . 4 1 1 A 57 57 LEU HA H 55 4.040 4.061 -0.021 1
1 621 . 4 1 1 A 57 57 LEU C C 55 179.268 177.159 2.109 1
1 622 . 4 1 1 A 57 57 LEU CA C 55 55.997 55.458 0.539 1
1 623 . 4 1 1 A 57 57 LEU CB C 55 42.309 41.801 0.508 1
1 627 . 4 1 1 A 57 57 LEU N N 55 120.452 120.993 -0.541 1
1 628 . 4 1 1 A 58 58 LYS H H 56 8.731 8.753 -0.022 1
1 629 . 4 1 1 A 58 58 LYS HA H 56 3.913 3.907 0.006 1
1 638 . 4 1 1 A 58 58 LYS C C 56 178.917 178.349 0.568 1
1 639 . 4 1 1 A 58 58 LYS CA C 56 60.202 58.996 1.206 1
1 640 . 4 1 1 A 58 58 LYS CB C 56 32.253 32.296 -0.043 1
1 644 . 4 1 1 A 58 58 LYS N N 56 125.307 124.587 0.720 1
1 645 . 4 1 1 A 59 59 TRP H H 57 7.884 8.133 -0.249 1
1 646 . 4 1 1 A 59 59 TRP HA H 57 4.637 4.825 -0.188 1
1 654 . 4 1 1 A 59 59 TRP C C 57 178.829 179.436 -0.607 1
1 655 . 4 1 1 A 59 59 TRP CA C 57 58.779 59.943 -1.164 1
1 656 . 4 1 1 A 59 59 TRP CB C 57 27.854 27.988 -0.134 1
1 662 . 4 1 1 A 59 59 TRP N N 57 113.503 119.304 -5.801 1
1 663 . 4 1 1 A 60 60 ILE H H 58 6.449 7.490 -1.041 1
1 664 . 4 1 1 A 60 60 ILE HA H 58 3.284 3.179 0.105 1
1 674 . 4 1 1 A 60 60 ILE C C 58 177.687 177.597 0.090 1
1 675 . 4 1 1 A 60 60 ILE CA C 58 64.177 65.047 -0.870 1
1 676 . 4 1 1 A 60 60 ILE CB C 58 35.710 37.368 -1.658 1
1 680 . 4 1 1 A 60 60 ILE N N 58 124.379 122.465 1.914 1
1 681 . 4 1 1 A 61 61 GLN H H 59 7.646 7.615 0.031 1
1 682 . 4 1 1 A 61 61 GLN HA H 59 3.738 4.045 -0.307 1
1 689 . 4 1 1 A 61 61 GLN C C 59 178.361 179.121 -0.760 1
1 690 . 4 1 1 A 61 61 GLN CA C 59 59.302 59.080 0.222 1
1 691 . 4 1 1 A 61 61 GLN CB C 59 28.357 27.930 0.427 1
1 693 . 4 1 1 A 61 61 GLN N N 59 118.966 118.246 0.720 1
1 695 . 4 1 1 A 62 62 GLU H H 60 8.075 7.701 0.374 1
1 696 . 4 1 1 A 62 62 GLU HA H 60 4.076 4.108 -0.032 1
1 701 . 4 1 1 A 62 62 GLU C C 60 179.019 178.495 0.524 1
1 702 . 4 1 1 A 62 62 GLU CA C 60 59.637 58.930 0.707 1
1 703 . 4 1 1 A 62 62 GLU CB C 60 30.368 29.563 0.805 1
1 705 . 4 1 1 A 62 62 GLU N N 60 117.105 121.126 -4.021 1
1 706 . 4 1 1 A 63 63 TYR H H 61 7.922 7.835 0.087 1
1 707 . 4 1 1 A 63 63 TYR HA H 61 4.237 4.327 -0.090 1
1 714 . 4 1 1 A 63 63 TYR C C 61 178.551 177.929 0.622 1
1 715 . 4 1 1 A 63 63 TYR CA C 61 61.206 61.552 -0.346 1
1 716 . 4 1 1 A 63 63 TYR CB C 61 39.669 38.930 0.739 1
1 719 . 4 1 1 A 63 63 TYR N N 61 121.402 122.709 -1.307 1
1 720 . 4 1 1 A 64 64 LEU H H 62 8.227 7.890 0.337 1
1 721 . 4 1 1 A 64 64 LEU HA H 62 3.957 4.107 -0.150 1
1 731 . 4 1 1 A 64 64 LEU C C 62 179.458 179.010 0.448 1
1 732 . 4 1 1 A 64 64 LEU CA C 62 57.880 58.080 -0.200 1
1 733 . 4 1 1 A 64 64 LEU CB C 62 42.434 41.165 1.269 1
1 737 . 4 1 1 A 64 64 LEU N N 62 116.209 119.437 -3.228 1
1 738 . 4 1 1 A 65 65 GLU H H 63 8.472 8.380 0.092 1
1 739 . 4 1 1 A 65 65 GLU HA H 63 3.827 4.078 -0.251 1
1 744 . 4 1 1 A 65 65 GLU C C 63 179.166 178.535 0.631 1
1 745 . 4 1 1 A 65 65 GLU CA C 63 60.265 59.579 0.686 1
1 746 . 4 1 1 A 65 65 GLU CB C 63 29.739 29.239 0.500 1
1 748 . 4 1 1 A 65 65 GLU N N 63 118.559 119.320 -0.761 1
1 749 . 4 1 1 A 66 66 LYS H H 64 7.554 7.795 -0.241 1
1 750 . 4 1 1 A 66 66 LYS HA H 64 4.215 4.305 -0.090 1
1 759 . 4 1 1 A 66 66 LYS C C 64 178.302 177.473 0.829 1
1 760 . 4 1 1 A 66 66 LYS CA C 64 58.481 58.086 0.395 1
1 761 . 4 1 1 A 66 66 LYS CB C 64 32.505 32.160 0.345 1
1 765 . 4 1 1 A 66 66 LYS N N 64 117.056 117.644 -0.588 1
1 766 . 4 1 1 A 67 67 CYS H H 65 7.918 7.902 0.016 1
1 767 . 4 1 1 A 67 67 CYS HA H 65 4.532 4.662 -0.130 1
1 770 . 4 1 1 A 67 67 CYS C C 65 174.775 173.635 1.140 1
1 771 . 4 1 1 A 67 67 CYS CA C 65 56.102 58.219 -2.117 1
1 772 . 4 1 1 A 67 67 CYS CB C 65 45.325 28.312 17.013 1
1 773 . 4 1 1 A 67 67 CYS N N 65 115.236 116.488 -1.252 1
1 774 . 4 1 1 A 68 68 LEU H H 66 7.558 7.407 0.151 1
1 775 . 4 1 1 A 68 68 LEU HA H 66 4.520 4.459 0.061 1
1 785 . 4 1 1 A 68 68 LEU C C 66 176.765 176.939 -0.174 1
1 786 . 4 1 1 A 68 68 LEU CA C 66 55.202 54.023 1.179 1
1 787 . 4 1 1 A 68 68 LEU CB C 66 43.314 42.119 1.195 1
1 791 . 4 1 1 A 68 68 LEU N N 66 121.130 122.809 -1.679 1
1 792 . 4 1 1 A 69 69 ASN H H 67 8.306 8.965 -0.659 1
1 793 . 4 1 1 A 69 69 ASN HA H 67 4.639 4.304 0.335 1
1 798 . 4 1 1 A 69 69 ASN C C 67 174.189 174.669 -0.480 1
1 799 . 4 1 1 A 69 69 ASN CA C 67 53.654 55.361 -1.707 1
1 800 . 4 1 1 A 69 69 ASN CB C 67 38.978 35.897 3.081 1
1 801 . 4 1 1 A 69 69 ASN N N 67 120.313 119.458 0.855 1
1 3 . 5 1 1 A 4 4 PRO HA H 2 4.490 4.530 -0.040 1
1 10 . 5 1 1 A 4 4 PRO C C 2 177.102 175.152 1.950 1
1 11 . 5 1 1 A 4 4 PRO CA C 2 63.319 63.017 0.302 1
1 12 . 5 1 1 A 4 4 PRO CB C 2 32.575 31.345 1.230 1
1 15 . 5 1 1 A 5 5 VAL H H 3 8.259 8.547 -0.288 1
1 16 . 5 1 1 A 5 5 VAL HA H 3 4.117 4.682 -0.565 1
1 24 . 5 1 1 A 5 5 VAL C C 3 176.385 173.843 2.542 1
1 25 . 5 1 1 A 5 5 VAL CA C 3 62.629 60.785 1.844 1
1 26 . 5 1 1 A 5 5 VAL CB C 3 33.146 34.474 -1.328 1
1 29 . 5 1 1 A 5 5 VAL N N 3 120.806 123.875 -3.069 1
1 30 . 5 1 1 A 6 6 SER H H 4 8.345 8.559 -0.214 1
1 31 . 5 1 1 A 6 6 SER HA H 4 4.479 4.917 -0.438 1
1 34 . 5 1 1 A 6 6 SER C C 4 174.687 172.915 1.772 1
1 35 . 5 1 1 A 6 6 SER CA C 4 58.340 57.264 1.076 1
1 36 . 5 1 1 A 6 6 SER CB C 4 64.208 66.312 -2.104 1
1 37 . 5 1 1 A 6 6 SER N N 4 119.332 121.428 -2.096 1
1 38 . 5 1 1 A 7 7 LEU H H 5 8.334 8.625 -0.291 1
1 39 . 5 1 1 A 7 7 LEU HA H 5 4.384 4.259 0.125 1
1 45 . 5 1 1 A 7 7 LEU C C 5 177.424 176.190 1.234 1
1 46 . 5 1 1 A 7 7 LEU CA C 5 55.495 54.270 1.225 1
1 47 . 5 1 1 A 7 7 LEU CB C 5 42.786 41.197 1.589 1
1 49 . 5 1 1 A 7 7 LEU N N 5 124.942 125.657 -0.715 1
1 50 . 5 1 1 A 8 8 SER H H 6 8.198 7.938 0.260 1
1 51 . 5 1 1 A 8 8 SER HA H 6 4.407 4.675 -0.268 1
1 54 . 5 1 1 A 8 8 SER C C 6 174.306 172.972 1.334 1
1 55 . 5 1 1 A 8 8 SER CA C 6 58.696 57.149 1.547 1
1 56 . 5 1 1 A 8 8 SER CB C 6 64.136 65.809 -1.673 1
1 57 . 5 1 1 A 8 8 SER N N 6 116.070 117.917 -1.847 1
1 58 . 5 1 1 A 9 9 TYR H H 7 8.005 8.581 -0.576 1
1 59 . 5 1 1 A 9 9 TYR HA H 7 4.547 4.715 -0.168 1
1 66 . 5 1 1 A 9 9 TYR C C 7 175.507 174.988 0.519 1
1 67 . 5 1 1 A 9 9 TYR CA C 7 58.236 56.350 1.886 1
1 68 . 5 1 1 A 9 9 TYR CB C 7 39.144 36.316 2.828 1
1 71 . 5 1 1 A 9 9 TYR N N 7 122.102 121.943 0.159 1
1 72 . 5 1 1 A 10 10 ARG H H 8 8.142 7.718 0.424 1
1 73 . 5 1 1 A 10 10 ARG HA H 8 4.302 4.817 -0.515 1
1 80 . 5 1 1 A 10 10 ARG C C 8 175.946 174.672 1.274 1
1 81 . 5 1 1 A 10 10 ARG CA C 8 56.102 54.767 1.335 1
1 82 . 5 1 1 A 10 10 ARG CB C 8 31.004 31.539 -0.535 1
1 85 . 5 1 1 A 10 10 ARG N N 8 122.105 121.683 0.422 1
1 86 . 5 1 1 A 11 11 CYS H H 9 8.185 8.757 -0.572 1
1 87 . 5 1 1 A 11 11 CYS HA H 9 4.952 5.024 -0.072 1
1 90 . 5 1 1 A 11 11 CYS CA C 9 53.192 54.776 -1.584 1
1 91 . 5 1 1 A 11 11 CYS CB C 9 40.250 43.269 -3.019 1
1 92 . 5 1 1 A 11 11 CYS N N 9 121.511 125.020 -3.509 1
1 93 . 5 1 1 A 12 12 PRO HA H 10 4.315 4.304 0.011 1
1 100 . 5 1 1 A 12 12 PRO C C 10 177.980 176.602 1.378 1
1 101 . 5 1 1 A 12 12 PRO CA C 10 65.345 65.540 -0.195 1
1 102 . 5 1 1 A 12 12 PRO CB C 10 32.575 31.248 1.327 1
1 105 . 5 1 1 A 13 13 CYS H H 11 8.719 8.023 0.696 1
1 106 . 5 1 1 A 13 13 CYS N N 11 115.047 116.587 -1.540 1
1 107 . 5 1 1 A 14 14 ARG HA H 12 4.028 4.620 -0.592 1
1 114 . 5 1 1 A 14 14 ARG C C 12 175.097 176.147 -1.050 1
1 115 . 5 1 1 A 14 14 ARG CA C 12 57.503 57.261 0.242 1
1 116 . 5 1 1 A 14 14 ARG CB C 12 31.289 32.213 -0.924 1
1 119 . 5 1 1 A 15 15 PHE H H 13 7.607 7.893 -0.286 1
1 120 . 5 1 1 A 15 15 PHE HA H 13 4.497 5.328 -0.831 1
1 127 . 5 1 1 A 15 15 PHE C C 13 174.292 174.205 0.087 1
1 128 . 5 1 1 A 15 15 PHE CA C 13 56.060 55.257 0.803 1
1 129 . 5 1 1 A 15 15 PHE CB C 13 41.122 42.359 -1.237 1
1 132 . 5 1 1 A 15 15 PHE N N 13 116.487 116.466 0.021 1
1 133 . 5 1 1 A 16 16 PHE H H 14 8.202 9.090 -0.888 1
1 134 . 5 1 1 A 16 16 PHE HA H 14 4.793 5.913 -1.120 1
1 141 . 5 1 1 A 16 16 PHE C C 14 175.433 172.863 2.570 1
1 142 . 5 1 1 A 16 16 PHE CA C 14 55.516 55.255 0.261 1
1 143 . 5 1 1 A 16 16 PHE CB C 14 41.096 42.605 -1.509 1
1 146 . 5 1 1 A 16 16 PHE N N 14 119.591 116.243 3.348 1
1 147 . 5 1 1 A 17 17 GLU H H 15 8.749 9.474 -0.725 1
1 148 . 5 1 1 A 17 17 GLU HA H 15 4.579 4.461 0.118 1
1 153 . 5 1 1 A 17 17 GLU C C 15 176.809 176.193 0.616 1
1 154 . 5 1 1 A 17 17 GLU CA C 15 56.395 56.521 -0.126 1
1 155 . 5 1 1 A 17 17 GLU CB C 15 30.932 30.607 0.325 1
1 157 . 5 1 1 A 17 17 GLU N N 15 122.719 122.307 0.412 1
1 158 . 5 1 1 A 18 18 SER H H 16 8.764 8.822 -0.058 1
1 159 . 5 1 1 A 18 18 SER HA H 16 4.697 4.791 -0.094 1
1 162 . 5 1 1 A 18 18 SER CA C 16 59.637 59.620 0.017 1
1 163 . 5 1 1 A 18 18 SER CB C 16 64.708 64.055 0.653 1
1 164 . 5 1 1 A 18 18 SER N N 16 118.765 120.414 -1.649 1
1 165 . 5 1 1 A 19 19 HIS H H 17 8.617 7.673 0.944 1
1 166 . 5 1 1 A 19 19 HIS HA H 17 4.770 4.893 -0.123 1
1 171 . 5 1 1 A 19 19 HIS C C 17 174.658 173.899 0.759 1
1 172 . 5 1 1 A 19 19 HIS CA C 17 56.750 53.921 2.829 1
1 173 . 5 1 1 A 19 19 HIS CB C 17 29.718 30.306 -0.588 1
1 176 . 5 1 1 A 19 19 HIS N N 17 119.651 121.864 -2.213 1
1 177 . 5 1 1 A 20 20 VAL H H 18 7.360 8.201 -0.841 1
1 178 . 5 1 1 A 20 20 VAL HA H 18 4.100 4.581 -0.481 1
1 186 . 5 1 1 A 20 20 VAL C C 18 174.424 172.995 1.429 1
1 187 . 5 1 1 A 20 20 VAL CA C 18 62.252 60.333 1.919 1
1 188 . 5 1 1 A 20 20 VAL CB C 18 34.146 35.790 -1.644 1
1 191 . 5 1 1 A 20 20 VAL N N 18 121.352 125.867 -4.515 1
1 192 . 5 1 1 A 21 21 ALA H H 19 8.570 8.418 0.152 1
1 193 . 5 1 1 A 21 21 ALA HA H 19 4.345 4.940 -0.595 1
1 197 . 5 1 1 A 21 21 ALA C C 19 177.570 177.539 0.031 1
1 198 . 5 1 1 A 21 21 ALA CA C 19 50.997 51.196 -0.199 1
1 199 . 5 1 1 A 21 21 ALA CB C 19 19.579 22.073 -2.494 1
1 200 . 5 1 1 A 21 21 ALA N N 19 131.401 130.425 0.976 1
1 201 . 5 1 1 A 22 22 ARG H H 20 7.838 8.105 -0.267 1
1 202 . 5 1 1 A 22 22 ARG HA H 20 2.545 2.948 -0.403 1
1 209 . 5 1 1 A 22 22 ARG C C 20 178.258 177.369 0.889 1
1 210 . 5 1 1 A 22 22 ARG CA C 20 59.407 58.463 0.944 1
1 211 . 5 1 1 A 22 22 ARG CB C 20 29.433 29.163 0.270 1
1 214 . 5 1 1 A 22 22 ARG N N 20 124.465 122.421 2.044 1
1 215 . 5 1 1 A 23 23 ALA H H 21 8.203 7.598 0.605 1
1 216 . 5 1 1 A 23 23 ALA HA H 21 4.069 3.991 0.078 1
1 220 . 5 1 1 A 23 23 ALA C C 21 177.995 179.450 -1.455 1
1 221 . 5 1 1 A 23 23 ALA CA C 21 54.000 53.985 0.015 1
1 222 . 5 1 1 A 23 23 ALA CB C 21 18.722 18.194 0.528 1
1 223 . 5 1 1 A 23 23 ALA N N 21 117.242 121.158 -3.916 1
1 224 . 5 1 1 A 24 24 ASN H H 22 7.739 7.834 -0.095 1
1 225 . 5 1 1 A 24 24 ASN HA H 22 4.988 4.568 0.420 1
1 230 . 5 1 1 A 24 24 ASN C C 22 174.848 175.658 -0.810 1
1 231 . 5 1 1 A 24 24 ASN CA C 22 52.509 54.933 -2.424 1
1 232 . 5 1 1 A 24 24 ASN CB C 22 40.358 38.897 1.461 1
1 233 . 5 1 1 A 24 24 ASN N N 22 112.861 116.405 -3.544 1
1 235 . 5 1 1 A 25 25 VAL H H 23 7.524 7.401 0.123 1
1 236 . 5 1 1 A 25 25 VAL HA H 23 4.272 3.884 0.388 1
1 244 . 5 1 1 A 25 25 VAL C C 23 175.755 175.586 0.169 1
1 245 . 5 1 1 A 25 25 VAL CA C 23 62.859 63.480 -0.621 1
1 246 . 5 1 1 A 25 25 VAL CB C 23 33.432 32.018 1.414 1
1 249 . 5 1 1 A 25 25 VAL N N 23 119.883 118.074 1.809 1
1 250 . 5 1 1 A 26 26 LYS H H 24 9.527 9.204 0.323 1
1 251 . 5 1 1 A 26 26 LYS HA H 24 4.298 4.400 -0.102 1
1 260 . 5 1 1 A 26 26 LYS C C 24 176.634 176.701 -0.067 1
1 261 . 5 1 1 A 26 26 LYS CA C 24 58.989 57.686 1.303 1
1 262 . 5 1 1 A 26 26 LYS CB C 24 34.390 33.170 1.220 1
1 266 . 5 1 1 A 26 26 LYS N N 24 128.312 127.359 0.953 1
1 267 . 5 1 1 A 27 27 HIS H H 25 7.214 7.554 -0.340 1
1 268 . 5 1 1 A 27 27 HIS HA H 25 4.965 5.132 -0.167 1
1 273 . 5 1 1 A 27 27 HIS C C 25 172.740 172.618 0.122 1
1 274 . 5 1 1 A 27 27 HIS CA C 25 55.328 54.763 0.565 1
1 275 . 5 1 1 A 27 27 HIS CB C 25 32.882 31.616 1.266 1
1 278 . 5 1 1 A 27 27 HIS N N 25 109.505 113.969 -4.464 1
1 279 . 5 1 1 A 28 28 LEU H H 26 8.066 8.954 -0.888 1
1 280 . 5 1 1 A 28 28 LEU HA H 26 5.156 5.608 -0.452 1
1 290 . 5 1 1 A 28 28 LEU C C 26 175.346 175.179 0.167 1
1 291 . 5 1 1 A 28 28 LEU CA C 26 53.466 53.180 0.286 1
1 292 . 5 1 1 A 28 28 LEU CB C 26 45.200 44.664 0.536 1
1 296 . 5 1 1 A 28 28 LEU N N 26 116.963 119.882 -2.919 1
1 297 . 5 1 1 A 29 29 LYS H H 27 9.549 9.453 0.096 1
1 298 . 5 1 1 A 29 29 LYS HA H 27 5.353 5.143 0.210 1
1 307 . 5 1 1 A 29 29 LYS C C 27 174.716 174.740 -0.024 1
1 308 . 5 1 1 A 29 29 LYS CA C 27 55.118 54.697 0.421 1
1 309 . 5 1 1 A 29 29 LYS CB C 27 35.144 35.333 -0.189 1
1 313 . 5 1 1 A 29 29 LYS N N 27 123.299 124.501 -1.202 1
1 314 . 5 1 1 A 30 30 ILE H H 28 9.140 9.001 0.139 1
1 315 . 5 1 1 A 30 30 ILE HA H 28 4.910 5.327 -0.417 1
1 325 . 5 1 1 A 30 30 ILE C C 28 176.970 175.564 1.406 1
1 326 . 5 1 1 A 30 30 ILE CA C 28 60.390 59.466 0.924 1
1 327 . 5 1 1 A 30 30 ILE CB C 28 39.603 38.538 1.065 1
1 331 . 5 1 1 A 30 30 ILE N N 28 123.823 128.354 -4.531 1
1 332 . 5 1 1 A 31 31 LEU H H 29 8.866 9.132 -0.266 1
1 333 . 5 1 1 A 31 31 LEU HA H 29 4.580 4.671 -0.091 1
1 342 . 5 1 1 A 31 31 LEU C C 29 175.975 176.402 -0.427 1
1 343 . 5 1 1 A 31 31 LEU CA C 29 55.474 53.864 1.610 1
1 344 . 5 1 1 A 31 31 LEU CB C 29 42.749 42.558 0.191 1
1 347 . 5 1 1 A 31 31 LEU N N 29 128.835 129.263 -0.428 1
1 348 . 5 1 1 A 32 32 ASN H H 30 8.211 8.706 -0.495 1
1 349 . 5 1 1 A 32 32 ASN HA H 30 4.998 5.277 -0.279 1
1 354 . 5 1 1 A 32 32 ASN C C 30 174.658 174.358 0.300 1
1 355 . 5 1 1 A 32 32 ASN CA C 30 52.524 51.877 0.647 1
1 356 . 5 1 1 A 32 32 ASN CB C 30 38.978 40.677 -1.699 1
1 357 . 5 1 1 A 32 32 ASN N N 30 120.696 119.706 0.990 1
1 359 . 5 1 1 A 33 33 THR H H 31 7.925 8.313 -0.388 1
1 360 . 5 1 1 A 33 33 THR HA H 31 4.784 4.999 -0.215 1
1 365 . 5 1 1 A 33 33 THR CA C 31 58.046 58.426 -0.380 1
1 366 . 5 1 1 A 33 33 THR CB C 31 70.341 69.559 0.782 1
1 368 . 5 1 1 A 33 33 THR N N 31 116.303 117.242 -0.939 1
1 369 . 5 1 1 A 34 34 PRO HA H 32 4.300 4.474 -0.174 1
1 376 . 5 1 1 A 34 34 PRO C C 32 176.765 176.667 0.098 1
1 377 . 5 1 1 A 34 34 PRO CA C 32 65.164 65.488 -0.324 1
1 378 . 5 1 1 A 34 34 PRO CB C 32 32.484 31.738 0.746 1
1 381 . 5 1 1 A 35 35 ASN H H 33 8.294 7.998 0.296 1
1 382 . 5 1 1 A 35 35 ASN C C 33 174.541 173.579 0.962 1
1 383 . 5 1 1 A 35 35 ASN N N 33 120.212 113.798 6.414 1
1 384 . 5 1 1 A 36 36 CYS H H 34 7.561 8.603 -1.042 1
1 385 . 5 1 1 A 36 36 CYS HA H 34 4.884 5.057 -0.173 1
1 388 . 5 1 1 A 36 36 CYS C C 34 173.838 172.499 1.339 1
1 389 . 5 1 1 A 36 36 CYS CA C 34 55.139 54.785 0.354 1
1 390 . 5 1 1 A 36 36 CYS CB C 34 45.200 47.436 -2.236 1
1 391 . 5 1 1 A 36 36 CYS N N 34 116.986 123.393 -6.407 1
1 392 . 5 1 1 A 37 37 ALA H H 35 8.520 8.357 0.163 1
1 393 . 5 1 1 A 37 37 ALA HA H 35 4.233 4.221 0.012 1
1 397 . 5 1 1 A 37 37 ALA C C 35 176.326 177.175 -0.849 1
1 398 . 5 1 1 A 37 37 ALA CA C 35 53.152 52.271 0.881 1
1 399 . 5 1 1 A 37 37 ALA CB C 35 18.930 19.041 -0.111 1
1 400 . 5 1 1 A 37 37 ALA N N 35 125.167 124.907 0.260 1
1 401 . 5 1 1 A 38 38 CYS H H 36 8.343 8.183 0.160 1
1 402 . 5 1 1 A 38 38 CYS HA H 36 4.213 4.227 -0.014 1
1 405 . 5 1 1 A 38 38 CYS C C 36 173.589 174.155 -0.566 1
1 406 . 5 1 1 A 38 38 CYS CA C 36 58.487 59.589 -1.102 1
1 407 . 5 1 1 A 38 38 CYS CB C 36 45.702 28.175 17.527 1
1 408 . 5 1 1 A 38 38 CYS N N 36 118.786 119.765 -0.979 1
1 409 . 5 1 1 A 39 39 GLN H H 37 8.988 8.511 0.477 1
1 410 . 5 1 1 A 39 39 GLN HA H 37 4.573 4.585 -0.012 1
1 417 . 5 1 1 A 39 39 GLN C C 37 173.545 175.101 -1.556 1
1 418 . 5 1 1 A 39 39 GLN CA C 37 54.491 55.837 -1.346 1
1 419 . 5 1 1 A 39 39 GLN CB C 37 31.876 29.159 2.717 1
1 421 . 5 1 1 A 39 39 GLN N N 37 128.825 127.740 1.085 1
1 423 . 5 1 1 A 40 40 ILE H H 38 8.967 8.741 0.226 1
1 424 . 5 1 1 A 40 40 ILE HA H 38 5.095 5.085 0.010 1
1 434 . 5 1 1 A 40 40 ILE C C 38 174.336 174.807 -0.471 1
1 435 . 5 1 1 A 40 40 ILE CA C 38 60.620 59.959 0.661 1
1 436 . 5 1 1 A 40 40 ILE CB C 38 40.235 41.300 -1.065 1
1 440 . 5 1 1 A 40 40 ILE N N 38 124.006 125.400 -1.394 1
1 441 . 5 1 1 A 41 41 VAL H H 39 9.130 9.309 -0.179 1
1 442 . 5 1 1 A 41 41 VAL HA H 39 4.926 4.920 0.006 1
1 450 . 5 1 1 A 41 41 VAL C C 39 175.492 174.425 1.067 1
1 451 . 5 1 1 A 41 41 VAL CA C 39 59.993 60.909 -0.916 1
1 452 . 5 1 1 A 41 41 VAL CB C 39 35.270 34.197 1.073 1
1 455 . 5 1 1 A 41 41 VAL N N 39 125.973 127.484 -1.511 1
1 456 . 5 1 1 A 42 42 ALA H H 40 9.558 9.290 0.268 1
1 457 . 5 1 1 A 42 42 ALA HA H 40 5.123 5.267 -0.144 1
1 461 . 5 1 1 A 42 42 ALA C C 40 175.931 175.166 0.765 1
1 462 . 5 1 1 A 42 42 ALA CA C 40 50.558 50.103 0.455 1
1 463 . 5 1 1 A 42 42 ALA CB C 40 22.072 21.299 0.773 1
1 464 . 5 1 1 A 42 42 ALA N N 40 128.264 129.044 -0.780 1
1 465 . 5 1 1 A 43 43 ARG H H 41 7.707 8.509 -0.802 1
1 466 . 5 1 1 A 43 43 ARG HA H 41 4.966 4.873 0.093 1
1 473 . 5 1 1 A 43 43 ARG C C 41 175.477 175.130 0.347 1
1 474 . 5 1 1 A 43 43 ARG CA C 41 54.000 54.655 -0.655 1
1 475 . 5 1 1 A 43 43 ARG CB C 41 31.122 32.687 -1.565 1
1 478 . 5 1 1 A 43 43 ARG N N 41 121.647 123.563 -1.916 1
1 479 . 5 1 1 A 44 44 LEU H H 42 9.183 8.604 0.579 1
1 480 . 5 1 1 A 44 44 LEU HA H 42 5.009 4.701 0.308 1
1 490 . 5 1 1 A 44 44 LEU C C 42 177.848 176.080 1.768 1
1 491 . 5 1 1 A 44 44 LEU CA C 42 54.596 53.840 0.756 1
1 492 . 5 1 1 A 44 44 LEU CB C 42 41.806 42.921 -1.115 1
1 496 . 5 1 1 A 44 44 LEU N N 42 128.821 128.406 0.415 1
1 497 . 5 1 1 A 45 45 LYS H H 43 8.449 8.609 -0.160 1
1 498 . 5 1 1 A 45 45 LYS N N 43 119.659 120.931 -1.272 1
1 499 . 5 1 1 A 48 48 ASN HA H 46 4.716 5.379 -0.663 1
1 504 . 5 1 1 A 48 48 ASN C C 46 175.155 174.194 0.961 1
1 505 . 5 1 1 A 48 48 ASN CA C 46 54.616 51.521 3.095 1
1 506 . 5 1 1 A 48 48 ASN CB C 46 39.292 43.849 -4.557 1
1 508 . 5 1 1 A 49 49 ARG H H 47 7.926 8.758 -0.832 1
1 509 . 5 1 1 A 49 49 ARG HA H 47 4.274 5.122 -0.848 1
1 516 . 5 1 1 A 49 49 ARG C C 47 175.433 174.167 1.266 1
1 517 . 5 1 1 A 49 49 ARG CA C 47 57.252 53.725 3.527 1
1 518 . 5 1 1 A 49 49 ARG CB C 47 32.128 33.836 -1.708 1
1 521 . 5 1 1 A 49 49 ARG N N 47 120.086 117.523 2.563 1
1 522 . 5 1 1 A 50 50 GLN H H 48 8.542 8.690 -0.148 1
1 523 . 5 1 1 A 50 50 GLN HA H 48 5.478 5.011 0.467 1
1 528 . 5 1 1 A 50 50 GLN C C 48 175.697 175.437 0.260 1
1 529 . 5 1 1 A 50 50 GLN CA C 48 55.077 54.976 0.101 1
1 530 . 5 1 1 A 50 50 GLN CB C 48 31.751 30.150 1.601 1
1 532 . 5 1 1 A 50 50 GLN N N 48 120.774 120.981 -0.207 1
1 533 . 5 1 1 A 51 51 VAL H H 49 8.710 9.249 -0.539 1
1 534 . 5 1 1 A 51 51 VAL HA H 49 4.781 4.827 -0.046 1
1 542 . 5 1 1 A 51 51 VAL C C 49 175.185 173.457 1.728 1
1 543 . 5 1 1 A 51 51 VAL CA C 49 59.344 58.955 0.389 1
1 544 . 5 1 1 A 51 51 VAL CB C 49 36.024 35.630 0.394 1
1 547 . 5 1 1 A 51 51 VAL N N 49 117.392 118.429 -1.037 1
1 548 . 5 1 1 A 52 52 CYS H H 50 9.184 8.869 0.315 1
1 549 . 5 1 1 A 52 52 CYS HA H 50 5.313 5.336 -0.023 1
1 552 . 5 1 1 A 52 52 CYS C C 50 174.380 173.392 0.988 1
1 553 . 5 1 1 A 52 52 CYS CA C 50 57.984 54.163 3.821 1
1 554 . 5 1 1 A 52 52 CYS CB C 50 42.661 45.326 -2.665 1
1 555 . 5 1 1 A 52 52 CYS N N 50 124.238 120.673 3.565 1
1 556 . 5 1 1 A 53 53 ILE H H 51 8.434 9.416 -0.982 1
1 557 . 5 1 1 A 53 53 ILE HA H 51 4.928 5.277 -0.349 1
1 567 . 5 1 1 A 53 53 ILE C C 51 172.931 173.402 -0.471 1
1 568 . 5 1 1 A 53 53 ILE CA C 51 58.675 59.024 -0.349 1
1 569 . 5 1 1 A 53 53 ILE CB C 51 42.309 41.768 0.541 1
1 573 . 5 1 1 A 53 53 ILE N N 51 122.034 121.319 0.715 1
1 574 . 5 1 1 A 54 54 ASP H H 52 7.702 8.646 -0.944 1
1 575 . 5 1 1 A 54 54 ASP HA H 52 3.426 4.698 -1.272 1
1 578 . 5 1 1 A 54 54 ASP CA C 52 51.251 50.484 0.767 1
1 579 . 5 1 1 A 54 54 ASP CB C 52 42.515 41.609 0.906 1
1 580 . 5 1 1 A 54 54 ASP N N 52 125.815 123.122 2.693 1
1 581 . 5 1 1 A 55 55 PRO HA H 53 3.986 4.129 -0.143 1
1 588 . 5 1 1 A 55 55 PRO C C 53 176.034 177.808 -1.774 1
1 589 . 5 1 1 A 55 55 PRO CA C 53 63.947 64.342 -0.395 1
1 590 . 5 1 1 A 55 55 PRO CB C 53 33.000 31.868 1.132 1
1 593 . 5 1 1 A 56 56 LYS H H 54 7.889 8.034 -0.145 1
1 594 . 5 1 1 A 56 56 LYS HA H 54 3.993 4.251 -0.258 1
1 603 . 5 1 1 A 56 56 LYS C C 54 177.922 176.556 1.366 1
1 604 . 5 1 1 A 56 56 LYS CA C 54 56.729 56.247 0.482 1
1 605 . 5 1 1 A 56 56 LYS CB C 54 31.751 32.990 -1.239 1
1 609 . 5 1 1 A 56 56 LYS N N 54 112.456 115.985 -3.529 1
1 610 . 5 1 1 A 57 57 LEU H H 55 7.157 7.005 0.152 1
1 611 . 5 1 1 A 57 57 LEU HA H 55 4.040 4.060 -0.020 1
1 621 . 5 1 1 A 57 57 LEU C C 55 179.268 177.396 1.872 1
1 622 . 5 1 1 A 57 57 LEU CA C 55 55.997 55.465 0.532 1
1 623 . 5 1 1 A 57 57 LEU CB C 55 42.309 41.471 0.838 1
1 627 . 5 1 1 A 57 57 LEU N N 55 120.452 121.841 -1.389 1
1 628 . 5 1 1 A 58 58 LYS H H 56 8.731 8.870 -0.139 1
1 629 . 5 1 1 A 58 58 LYS HA H 56 3.913 3.857 0.056 1
1 638 . 5 1 1 A 58 58 LYS C C 56 178.917 178.313 0.604 1
1 639 . 5 1 1 A 58 58 LYS CA C 56 60.202 59.559 0.643 1
1 640 . 5 1 1 A 58 58 LYS CB C 56 32.253 32.124 0.129 1
1 644 . 5 1 1 A 58 58 LYS N N 56 125.307 126.010 -0.703 1
1 645 . 5 1 1 A 59 59 TRP H H 57 7.884 8.195 -0.311 1
1 646 . 5 1 1 A 59 59 TRP HA H 57 4.637 4.977 -0.340 1
1 654 . 5 1 1 A 59 59 TRP C C 57 178.829 179.517 -0.688 1
1 655 . 5 1 1 A 59 59 TRP CA C 57 58.779 59.915 -1.136 1
1 656 . 5 1 1 A 59 59 TRP CB C 57 27.854 28.086 -0.232 1
1 662 . 5 1 1 A 59 59 TRP N N 57 113.503 119.113 -5.610 1
1 663 . 5 1 1 A 60 60 ILE H H 58 6.449 7.220 -0.771 1
1 664 . 5 1 1 A 60 60 ILE HA H 58 3.284 3.236 0.048 1
1 674 . 5 1 1 A 60 60 ILE C C 58 177.687 177.604 0.083 1
1 675 . 5 1 1 A 60 60 ILE CA C 58 64.177 65.026 -0.849 1
1 676 . 5 1 1 A 60 60 ILE CB C 58 35.710 37.463 -1.753 1
1 680 . 5 1 1 A 60 60 ILE N N 58 124.379 122.472 1.907 1
1 681 . 5 1 1 A 61 61 GLN H H 59 7.646 7.718 -0.072 1
1 682 . 5 1 1 A 61 61 GLN HA H 59 3.738 4.018 -0.280 1
1 689 . 5 1 1 A 61 61 GLN C C 59 178.361 179.117 -0.756 1
1 690 . 5 1 1 A 61 61 GLN CA C 59 59.302 59.078 0.224 1
1 691 . 5 1 1 A 61 61 GLN CB C 59 28.357 28.058 0.299 1
1 693 . 5 1 1 A 61 61 GLN N N 59 118.966 118.193 0.773 1
1 695 . 5 1 1 A 62 62 GLU H H 60 8.075 7.788 0.287 1
1 696 . 5 1 1 A 62 62 GLU HA H 60 4.076 4.108 -0.032 1
1 701 . 5 1 1 A 62 62 GLU C C 60 179.019 178.521 0.498 1
1 702 . 5 1 1 A 62 62 GLU CA C 60 59.637 58.912 0.725 1
1 703 . 5 1 1 A 62 62 GLU CB C 60 30.368 29.562 0.806 1
1 705 . 5 1 1 A 62 62 GLU N N 60 117.105 120.971 -3.866 1
1 706 . 5 1 1 A 63 63 TYR H H 61 7.922 8.021 -0.099 1
1 707 . 5 1 1 A 63 63 TYR HA H 61 4.237 4.286 -0.049 1
1 714 . 5 1 1 A 63 63 TYR C C 61 178.551 177.826 0.725 1
1 715 . 5 1 1 A 63 63 TYR CA C 61 61.206 61.639 -0.433 1
1 716 . 5 1 1 A 63 63 TYR CB C 61 39.669 39.016 0.653 1
1 719 . 5 1 1 A 63 63 TYR N N 61 121.402 122.645 -1.243 1
1 720 . 5 1 1 A 64 64 LEU H H 62 8.227 7.940 0.287 1
1 721 . 5 1 1 A 64 64 LEU HA H 62 3.957 4.231 -0.274 1
1 731 . 5 1 1 A 64 64 LEU C C 62 179.458 179.012 0.446 1
1 732 . 5 1 1 A 64 64 LEU CA C 62 57.880 58.081 -0.201 1
1 733 . 5 1 1 A 64 64 LEU CB C 62 42.434 41.122 1.312 1
1 737 . 5 1 1 A 64 64 LEU N N 62 116.209 119.206 -2.997 1
1 738 . 5 1 1 A 65 65 GLU H H 63 8.472 8.436 0.036 1
1 739 . 5 1 1 A 65 65 GLU HA H 63 3.827 4.087 -0.260 1
1 744 . 5 1 1 A 65 65 GLU C C 63 179.166 178.741 0.425 1
1 745 . 5 1 1 A 65 65 GLU CA C 63 60.265 59.609 0.656 1
1 746 . 5 1 1 A 65 65 GLU CB C 63 29.739 29.247 0.492 1
1 748 . 5 1 1 A 65 65 GLU N N 63 118.559 119.210 -0.651 1
1 749 . 5 1 1 A 66 66 LYS H H 64 7.554 7.860 -0.306 1
1 750 . 5 1 1 A 66 66 LYS HA H 64 4.215 4.228 -0.013 1
1 759 . 5 1 1 A 66 66 LYS C C 64 178.302 177.744 0.558 1
1 760 . 5 1 1 A 66 66 LYS CA C 64 58.481 58.229 0.252 1
1 761 . 5 1 1 A 66 66 LYS CB C 64 32.505 32.367 0.138 1
1 765 . 5 1 1 A 66 66 LYS N N 64 117.056 118.430 -1.374 1
1 766 . 5 1 1 A 67 67 CYS H H 65 7.918 7.869 0.049 1
1 767 . 5 1 1 A 67 67 CYS HA H 65 4.532 4.544 -0.012 1
1 770 . 5 1 1 A 67 67 CYS C C 65 174.775 175.273 -0.498 1
1 771 . 5 1 1 A 67 67 CYS CA C 65 56.102 60.935 -4.833 1
1 772 . 5 1 1 A 67 67 CYS CB C 65 45.325 28.837 16.488 1
1 773 . 5 1 1 A 67 67 CYS N N 65 115.236 116.428 -1.192 1
1 774 . 5 1 1 A 68 68 LEU H H 66 7.558 7.380 0.178 1
1 775 . 5 1 1 A 68 68 LEU HA H 66 4.520 4.299 0.221 1
1 785 . 5 1 1 A 68 68 LEU C C 66 176.765 177.139 -0.374 1
1 786 . 5 1 1 A 68 68 LEU CA C 66 55.202 55.907 -0.705 1
1 787 . 5 1 1 A 68 68 LEU CB C 66 43.314 41.599 1.715 1
1 791 . 5 1 1 A 68 68 LEU N N 66 121.130 121.831 -0.701 1
1 792 . 5 1 1 A 69 69 ASN H H 67 8.306 9.646 -1.340 1
1 793 . 5 1 1 A 69 69 ASN HA H 67 4.639 4.439 0.200 1
1 798 . 5 1 1 A 69 69 ASN C C 67 174.189 175.187 -0.998 1
1 799 . 5 1 1 A 69 69 ASN CA C 67 53.654 54.608 -0.954 1
1 800 . 5 1 1 A 69 69 ASN CB C 67 38.978 37.110 1.868 1
1 801 . 5 1 1 A 69 69 ASN N N 67 120.313 123.876 -3.563 1
1 3 . 6 1 1 A 4 4 PRO HA H 2 4.490 4.493 -0.003 1
1 10 . 6 1 1 A 4 4 PRO C C 2 177.102 176.848 0.254 1
1 11 . 6 1 1 A 4 4 PRO CA C 2 63.319 63.843 -0.524 1
1 12 . 6 1 1 A 4 4 PRO CB C 2 32.575 31.931 0.644 1
1 15 . 6 1 1 A 5 5 VAL H H 3 8.259 7.912 0.347 1
1 16 . 6 1 1 A 5 5 VAL HA H 3 4.117 3.857 0.260 1
1 24 . 6 1 1 A 5 5 VAL C C 3 176.385 175.911 0.474 1
1 25 . 6 1 1 A 5 5 VAL CA C 3 62.629 62.642 -0.013 1
1 26 . 6 1 1 A 5 5 VAL CB C 3 33.146 30.254 2.892 1
1 29 . 6 1 1 A 5 5 VAL N N 3 120.806 117.036 3.770 1
1 30 . 6 1 1 A 6 6 SER H H 4 8.345 8.294 0.051 1
1 31 . 6 1 1 A 6 6 SER HA H 4 4.479 4.586 -0.107 1
1 34 . 6 1 1 A 6 6 SER C C 4 174.687 174.129 0.558 1
1 35 . 6 1 1 A 6 6 SER CA C 4 58.340 59.374 -1.034 1
1 36 . 6 1 1 A 6 6 SER CB C 4 64.208 64.257 -0.049 1
1 37 . 6 1 1 A 6 6 SER N N 4 119.332 120.695 -1.363 1
1 38 . 6 1 1 A 7 7 LEU H H 5 8.334 7.620 0.714 1
1 39 . 6 1 1 A 7 7 LEU HA H 5 4.384 4.601 -0.217 1
1 45 . 6 1 1 A 7 7 LEU C C 5 177.424 175.104 2.320 1
1 46 . 6 1 1 A 7 7 LEU CA C 5 55.495 54.367 1.128 1
1 47 . 6 1 1 A 7 7 LEU CB C 5 42.786 42.235 0.551 1
1 49 . 6 1 1 A 7 7 LEU N N 5 124.942 121.986 2.956 1
1 50 . 6 1 1 A 8 8 SER H H 6 8.198 8.244 -0.046 1
1 51 . 6 1 1 A 8 8 SER HA H 6 4.407 4.458 -0.051 1
1 54 . 6 1 1 A 8 8 SER C C 6 174.306 173.762 0.544 1
1 55 . 6 1 1 A 8 8 SER CA C 6 58.696 57.025 1.671 1
1 56 . 6 1 1 A 8 8 SER CB C 6 64.136 65.108 -0.972 1
1 57 . 6 1 1 A 8 8 SER N N 6 116.070 116.594 -0.524 1
1 58 . 6 1 1 A 9 9 TYR H H 7 8.005 8.997 -0.992 1
1 59 . 6 1 1 A 9 9 TYR HA H 7 4.547 4.587 -0.040 1
1 66 . 6 1 1 A 9 9 TYR C C 7 175.507 176.090 -0.583 1
1 67 . 6 1 1 A 9 9 TYR CA C 7 58.236 60.718 -2.482 1
1 68 . 6 1 1 A 9 9 TYR CB C 7 39.144 38.185 0.959 1
1 71 . 6 1 1 A 9 9 TYR N N 7 122.102 118.701 3.401 1
1 72 . 6 1 1 A 10 10 ARG H H 8 8.142 7.662 0.480 1
1 73 . 6 1 1 A 10 10 ARG HA H 8 4.302 4.234 0.068 1
1 80 . 6 1 1 A 10 10 ARG C C 8 175.946 175.445 0.501 1
1 81 . 6 1 1 A 10 10 ARG CA C 8 56.102 56.154 -0.052 1
1 82 . 6 1 1 A 10 10 ARG CB C 8 31.004 30.540 0.464 1
1 85 . 6 1 1 A 10 10 ARG N N 8 122.105 120.875 1.230 1
1 86 . 6 1 1 A 11 11 CYS H H 9 8.185 8.490 -0.305 1
1 87 . 6 1 1 A 11 11 CYS HA H 9 4.952 5.094 -0.142 1
1 90 . 6 1 1 A 11 11 CYS CA C 9 53.192 53.990 -0.798 1
1 91 . 6 1 1 A 11 11 CYS CB C 9 40.250 44.063 -3.813 1
1 92 . 6 1 1 A 11 11 CYS N N 9 121.511 123.891 -2.380 1
1 93 . 6 1 1 A 12 12 PRO HA H 10 4.315 4.294 0.021 1
1 100 . 6 1 1 A 12 12 PRO C C 10 177.980 177.309 0.671 1
1 101 . 6 1 1 A 12 12 PRO CA C 10 65.345 65.825 -0.480 1
1 102 . 6 1 1 A 12 12 PRO CB C 10 32.575 31.058 1.517 1
1 105 . 6 1 1 A 13 13 CYS H H 11 8.719 7.455 1.264 1
1 106 . 6 1 1 A 13 13 CYS N N 11 115.047 112.949 2.098 1
1 107 . 6 1 1 A 14 14 ARG HA H 12 4.028 4.300 -0.272 1
1 114 . 6 1 1 A 14 14 ARG C C 12 175.097 176.271 -1.174 1
1 115 . 6 1 1 A 14 14 ARG CA C 12 57.503 57.066 0.437 1
1 116 . 6 1 1 A 14 14 ARG CB C 12 31.289 31.024 0.265 1
1 119 . 6 1 1 A 15 15 PHE H H 13 7.607 7.840 -0.233 1
1 120 . 6 1 1 A 15 15 PHE HA H 13 4.497 5.288 -0.791 1
1 127 . 6 1 1 A 15 15 PHE C C 13 174.292 175.371 -1.079 1
1 128 . 6 1 1 A 15 15 PHE CA C 13 56.060 56.447 -0.387 1
1 129 . 6 1 1 A 15 15 PHE CB C 13 41.122 42.705 -1.583 1
1 132 . 6 1 1 A 15 15 PHE N N 13 116.487 115.288 1.199 1
1 133 . 6 1 1 A 16 16 PHE H H 14 8.202 8.933 -0.731 1
1 134 . 6 1 1 A 16 16 PHE HA H 14 4.793 5.216 -0.423 1
1 141 . 6 1 1 A 16 16 PHE C C 14 175.433 175.329 0.104 1
1 142 . 6 1 1 A 16 16 PHE CA C 14 55.516 55.628 -0.112 1
1 143 . 6 1 1 A 16 16 PHE CB C 14 41.096 41.316 -0.220 1
1 146 . 6 1 1 A 16 16 PHE N N 14 119.591 119.348 0.243 1
1 147 . 6 1 1 A 17 17 GLU H H 15 8.749 9.817 -1.068 1
1 148 . 6 1 1 A 17 17 GLU HA H 15 4.579 4.389 0.190 1
1 153 . 6 1 1 A 17 17 GLU C C 15 176.809 176.793 0.016 1
1 154 . 6 1 1 A 17 17 GLU CA C 15 56.395 56.640 -0.245 1
1 155 . 6 1 1 A 17 17 GLU CB C 15 30.932 30.140 0.792 1
1 157 . 6 1 1 A 17 17 GLU N N 15 122.719 121.295 1.424 1
1 158 . 6 1 1 A 18 18 SER H H 16 8.764 8.784 -0.020 1
1 159 . 6 1 1 A 18 18 SER HA H 16 4.697 4.752 -0.055 1
1 162 . 6 1 1 A 18 18 SER CA C 16 59.637 59.043 0.594 1
1 163 . 6 1 1 A 18 18 SER CB C 16 64.708 63.828 0.880 1
1 164 . 6 1 1 A 18 18 SER N N 16 118.765 118.708 0.057 1
1 165 . 6 1 1 A 19 19 HIS H H 17 8.617 7.826 0.791 1
1 166 . 6 1 1 A 19 19 HIS HA H 17 4.770 4.907 -0.137 1
1 171 . 6 1 1 A 19 19 HIS C C 17 174.658 174.094 0.564 1
1 172 . 6 1 1 A 19 19 HIS CA C 17 56.750 54.096 2.654 1
1 173 . 6 1 1 A 19 19 HIS CB C 17 29.718 30.271 -0.553 1
1 176 . 6 1 1 A 19 19 HIS N N 17 119.651 122.068 -2.417 1
1 177 . 6 1 1 A 20 20 VAL H H 18 7.360 8.320 -0.960 1
1 178 . 6 1 1 A 20 20 VAL HA H 18 4.100 4.430 -0.330 1
1 186 . 6 1 1 A 20 20 VAL C C 18 174.424 173.150 1.274 1
1 187 . 6 1 1 A 20 20 VAL CA C 18 62.252 60.527 1.725 1
1 188 . 6 1 1 A 20 20 VAL CB C 18 34.146 34.783 -0.637 1
1 191 . 6 1 1 A 20 20 VAL N N 18 121.352 125.061 -3.709 1
1 192 . 6 1 1 A 21 21 ALA H H 19 8.570 8.271 0.299 1
1 193 . 6 1 1 A 21 21 ALA HA H 19 4.345 4.549 -0.204 1
1 197 . 6 1 1 A 21 21 ALA C C 19 177.570 177.236 0.334 1
1 198 . 6 1 1 A 21 21 ALA CA C 19 50.997 50.975 0.022 1
1 199 . 6 1 1 A 21 21 ALA CB C 19 19.579 22.344 -2.765 1
1 200 . 6 1 1 A 21 21 ALA N N 19 131.401 126.812 4.589 1
1 201 . 6 1 1 A 22 22 ARG H H 20 7.838 7.949 -0.111 1
1 202 . 6 1 1 A 22 22 ARG HA H 20 2.545 2.789 -0.244 1
1 209 . 6 1 1 A 22 22 ARG C C 20 178.258 177.067 1.191 1
1 210 . 6 1 1 A 22 22 ARG CA C 20 59.407 58.111 1.296 1
1 211 . 6 1 1 A 22 22 ARG CB C 20 29.433 29.329 0.104 1
1 214 . 6 1 1 A 22 22 ARG N N 20 124.465 120.393 4.072 1
1 215 . 6 1 1 A 23 23 ALA H H 21 8.203 7.433 0.770 1
1 216 . 6 1 1 A 23 23 ALA HA H 21 4.069 4.119 -0.050 1
1 220 . 6 1 1 A 23 23 ALA C C 21 177.995 178.136 -0.141 1
1 221 . 6 1 1 A 23 23 ALA CA C 21 54.000 53.250 0.750 1
1 222 . 6 1 1 A 23 23 ALA CB C 21 18.722 18.525 0.197 1
1 223 . 6 1 1 A 23 23 ALA N N 21 117.242 120.967 -3.725 1
1 224 . 6 1 1 A 24 24 ASN H H 22 7.739 7.787 -0.048 1
1 225 . 6 1 1 A 24 24 ASN HA H 22 4.988 4.748 0.240 1
1 230 . 6 1 1 A 24 24 ASN C C 22 174.848 175.117 -0.269 1
1 231 . 6 1 1 A 24 24 ASN CA C 22 52.509 53.259 -0.750 1
1 232 . 6 1 1 A 24 24 ASN CB C 22 40.358 39.430 0.928 1
1 233 . 6 1 1 A 24 24 ASN N N 22 112.861 115.229 -2.368 1
1 235 . 6 1 1 A 25 25 VAL H H 23 7.524 7.134 0.390 1
1 236 . 6 1 1 A 25 25 VAL HA H 23 4.272 3.998 0.274 1
1 244 . 6 1 1 A 25 25 VAL C C 23 175.755 175.382 0.373 1
1 245 . 6 1 1 A 25 25 VAL CA C 23 62.859 62.217 0.642 1
1 246 . 6 1 1 A 25 25 VAL CB C 23 33.432 32.485 0.947 1
1 249 . 6 1 1 A 25 25 VAL N N 23 119.883 119.227 0.656 1
1 250 . 6 1 1 A 26 26 LYS H H 24 9.527 9.305 0.222 1
1 251 . 6 1 1 A 26 26 LYS HA H 24 4.298 4.557 -0.259 1
1 260 . 6 1 1 A 26 26 LYS C C 24 176.634 176.572 0.062 1
1 261 . 6 1 1 A 26 26 LYS CA C 24 58.989 57.256 1.733 1
1 262 . 6 1 1 A 26 26 LYS CB C 24 34.390 34.209 0.181 1
1 266 . 6 1 1 A 26 26 LYS N N 24 128.312 126.945 1.367 1
1 267 . 6 1 1 A 27 27 HIS H H 25 7.214 7.617 -0.403 1
1 268 . 6 1 1 A 27 27 HIS HA H 25 4.965 5.045 -0.080 1
1 273 . 6 1 1 A 27 27 HIS C C 25 172.740 172.683 0.057 1
1 274 . 6 1 1 A 27 27 HIS CA C 25 55.328 54.765 0.563 1
1 275 . 6 1 1 A 27 27 HIS CB C 25 32.882 31.343 1.539 1
1 278 . 6 1 1 A 27 27 HIS N N 25 109.505 114.123 -4.618 1
1 279 . 6 1 1 A 28 28 LEU H H 26 8.066 9.103 -1.037 1
1 280 . 6 1 1 A 28 28 LEU HA H 26 5.156 5.422 -0.266 1
1 290 . 6 1 1 A 28 28 LEU C C 26 175.346 175.011 0.335 1
1 291 . 6 1 1 A 28 28 LEU CA C 26 53.466 53.126 0.340 1
1 292 . 6 1 1 A 28 28 LEU CB C 26 45.200 43.946 1.254 1
1 296 . 6 1 1 A 28 28 LEU N N 26 116.963 120.430 -3.467 1
1 297 . 6 1 1 A 29 29 LYS H H 27 9.549 9.626 -0.077 1
1 298 . 6 1 1 A 29 29 LYS HA H 27 5.353 5.120 0.233 1
1 307 . 6 1 1 A 29 29 LYS C C 27 174.716 174.965 -0.249 1
1 308 . 6 1 1 A 29 29 LYS CA C 27 55.118 54.725 0.393 1
1 309 . 6 1 1 A 29 29 LYS CB C 27 35.144 35.592 -0.448 1
1 313 . 6 1 1 A 29 29 LYS N N 27 123.299 126.086 -2.787 1
1 314 . 6 1 1 A 30 30 ILE H H 28 9.140 9.063 0.077 1
1 315 . 6 1 1 A 30 30 ILE HA H 28 4.910 5.085 -0.175 1
1 325 . 6 1 1 A 30 30 ILE C C 28 176.970 174.907 2.063 1
1 326 . 6 1 1 A 30 30 ILE CA C 28 60.390 59.666 0.724 1
1 327 . 6 1 1 A 30 30 ILE CB C 28 39.603 38.337 1.266 1
1 331 . 6 1 1 A 30 30 ILE N N 28 123.823 127.538 -3.715 1
1 332 . 6 1 1 A 31 31 LEU H H 29 8.866 9.491 -0.625 1
1 333 . 6 1 1 A 31 31 LEU HA H 29 4.580 4.559 0.021 1
1 342 . 6 1 1 A 31 31 LEU C C 29 175.975 175.809 0.166 1
1 343 . 6 1 1 A 31 31 LEU CA C 29 55.474 54.231 1.243 1
1 344 . 6 1 1 A 31 31 LEU CB C 29 42.749 42.809 -0.060 1
1 347 . 6 1 1 A 31 31 LEU N N 29 128.835 129.070 -0.235 1
1 348 . 6 1 1 A 32 32 ASN H H 30 8.211 8.785 -0.574 1
1 349 . 6 1 1 A 32 32 ASN HA H 30 4.998 4.982 0.016 1
1 354 . 6 1 1 A 32 32 ASN C C 30 174.658 174.655 0.003 1
1 355 . 6 1 1 A 32 32 ASN CA C 30 52.524 52.186 0.338 1
1 356 . 6 1 1 A 32 32 ASN CB C 30 38.978 39.119 -0.141 1
1 357 . 6 1 1 A 32 32 ASN N N 30 120.696 123.608 -2.912 1
1 359 . 6 1 1 A 33 33 THR H H 31 7.925 8.234 -0.309 1
1 360 . 6 1 1 A 33 33 THR HA H 31 4.784 4.962 -0.178 1
1 365 . 6 1 1 A 33 33 THR CA C 31 58.046 58.223 -0.177 1
1 366 . 6 1 1 A 33 33 THR CB C 31 70.341 70.328 0.013 1
1 368 . 6 1 1 A 33 33 THR N N 31 116.303 117.195 -0.892 1
1 369 . 6 1 1 A 34 34 PRO HA H 32 4.300 4.330 -0.030 1
1 376 . 6 1 1 A 34 34 PRO C C 32 176.765 177.639 -0.874 1
1 377 . 6 1 1 A 34 34 PRO CA C 32 65.164 65.128 0.036 1
1 378 . 6 1 1 A 34 34 PRO CB C 32 32.484 31.757 0.727 1
1 381 . 6 1 1 A 35 35 ASN H H 33 8.294 8.447 -0.153 1
1 382 . 6 1 1 A 35 35 ASN C C 33 174.541 174.737 -0.196 1
1 383 . 6 1 1 A 35 35 ASN N N 33 120.212 113.925 6.287 1
1 384 . 6 1 1 A 36 36 CYS H H 34 7.561 7.680 -0.119 1
1 385 . 6 1 1 A 36 36 CYS HA H 34 4.884 5.069 -0.185 1
1 388 . 6 1 1 A 36 36 CYS C C 34 173.838 171.963 1.875 1
1 389 . 6 1 1 A 36 36 CYS CA C 34 55.139 54.876 0.263 1
1 390 . 6 1 1 A 36 36 CYS CB C 34 45.200 45.620 -0.420 1
1 391 . 6 1 1 A 36 36 CYS N N 34 116.986 116.447 0.539 1
1 392 . 6 1 1 A 37 37 ALA H H 35 8.520 8.546 -0.026 1
1 393 . 6 1 1 A 37 37 ALA HA H 35 4.233 4.697 -0.464 1
1 397 . 6 1 1 A 37 37 ALA C C 35 176.326 177.464 -1.138 1
1 398 . 6 1 1 A 37 37 ALA CA C 35 53.152 51.249 1.903 1
1 399 . 6 1 1 A 37 37 ALA CB C 35 18.930 19.953 -1.023 1
1 400 . 6 1 1 A 37 37 ALA N N 35 125.167 126.384 -1.217 1
1 401 . 6 1 1 A 38 38 CYS H H 36 8.343 8.785 -0.442 1
1 402 . 6 1 1 A 38 38 CYS HA H 36 4.213 4.080 0.133 1
1 405 . 6 1 1 A 38 38 CYS C C 36 173.589 173.641 -0.052 1
1 406 . 6 1 1 A 38 38 CYS CA C 36 58.487 59.881 -1.394 1
1 407 . 6 1 1 A 38 38 CYS CB C 36 45.702 26.143 19.559 1
1 408 . 6 1 1 A 38 38 CYS N N 36 118.786 122.249 -3.463 1
1 409 . 6 1 1 A 39 39 GLN H H 37 8.988 8.369 0.619 1
1 410 . 6 1 1 A 39 39 GLN HA H 37 4.573 4.994 -0.421 1
1 417 . 6 1 1 A 39 39 GLN C C 37 173.545 174.740 -1.195 1
1 418 . 6 1 1 A 39 39 GLN CA C 37 54.491 54.535 -0.044 1
1 419 . 6 1 1 A 39 39 GLN CB C 37 31.876 31.106 0.770 1
1 421 . 6 1 1 A 39 39 GLN N N 37 128.825 124.101 4.724 1
1 423 . 6 1 1 A 40 40 ILE H H 38 8.967 8.991 -0.024 1
1 424 . 6 1 1 A 40 40 ILE HA H 38 5.095 4.984 0.111 1
1 434 . 6 1 1 A 40 40 ILE C C 38 174.336 175.179 -0.843 1
1 435 . 6 1 1 A 40 40 ILE CA C 38 60.620 60.090 0.530 1
1 436 . 6 1 1 A 40 40 ILE CB C 38 40.235 38.951 1.284 1
1 440 . 6 1 1 A 40 40 ILE N N 38 124.006 125.106 -1.100 1
1 441 . 6 1 1 A 41 41 VAL H H 39 9.130 9.340 -0.210 1
1 442 . 6 1 1 A 41 41 VAL HA H 39 4.926 4.916 0.010 1
1 450 . 6 1 1 A 41 41 VAL C C 39 175.492 174.513 0.979 1
1 451 . 6 1 1 A 41 41 VAL CA C 39 59.993 60.972 -0.979 1
1 452 . 6 1 1 A 41 41 VAL CB C 39 35.270 34.280 0.990 1
1 455 . 6 1 1 A 41 41 VAL N N 39 125.973 128.156 -2.183 1
1 456 . 6 1 1 A 42 42 ALA H H 40 9.558 9.264 0.294 1
1 457 . 6 1 1 A 42 42 ALA HA H 40 5.123 5.272 -0.149 1
1 461 . 6 1 1 A 42 42 ALA C C 40 175.931 175.110 0.821 1
1 462 . 6 1 1 A 42 42 ALA CA C 40 50.558 50.021 0.537 1
1 463 . 6 1 1 A 42 42 ALA CB C 40 22.072 21.308 0.764 1
1 464 . 6 1 1 A 42 42 ALA N N 40 128.264 129.173 -0.909 1
1 465 . 6 1 1 A 43 43 ARG H H 41 7.707 8.503 -0.796 1
1 466 . 6 1 1 A 43 43 ARG HA H 41 4.966 4.846 0.120 1
1 473 . 6 1 1 A 43 43 ARG C C 41 175.477 175.154 0.323 1
1 474 . 6 1 1 A 43 43 ARG CA C 41 54.000 54.711 -0.711 1
1 475 . 6 1 1 A 43 43 ARG CB C 41 31.122 32.474 -1.352 1
1 478 . 6 1 1 A 43 43 ARG N N 41 121.647 123.878 -2.231 1
1 479 . 6 1 1 A 44 44 LEU H H 42 9.183 8.863 0.320 1
1 480 . 6 1 1 A 44 44 LEU HA H 42 5.009 5.113 -0.104 1
1 490 . 6 1 1 A 44 44 LEU C C 42 177.848 176.897 0.951 1
1 491 . 6 1 1 A 44 44 LEU CA C 42 54.596 53.369 1.227 1
1 492 . 6 1 1 A 44 44 LEU CB C 42 41.806 43.761 -1.955 1
1 496 . 6 1 1 A 44 44 LEU N N 42 128.821 128.166 0.655 1
1 497 . 6 1 1 A 45 45 LYS H H 43 8.449 8.377 0.072 1
1 498 . 6 1 1 A 45 45 LYS N N 43 119.659 120.552 -0.893 1
1 499 . 6 1 1 A 48 48 ASN HA H 46 4.716 5.008 -0.292 1
1 504 . 6 1 1 A 48 48 ASN C C 46 175.155 175.684 -0.529 1
1 505 . 6 1 1 A 48 48 ASN CA C 46 54.616 52.347 2.269 1
1 506 . 6 1 1 A 48 48 ASN CB C 46 39.292 40.558 -1.266 1
1 508 . 6 1 1 A 49 49 ARG H H 47 7.926 8.759 -0.833 1
1 509 . 6 1 1 A 49 49 ARG HA H 47 4.274 4.821 -0.547 1
1 516 . 6 1 1 A 49 49 ARG C C 47 175.433 174.733 0.700 1
1 517 . 6 1 1 A 49 49 ARG CA C 47 57.252 54.060 3.192 1
1 518 . 6 1 1 A 49 49 ARG CB C 47 32.128 31.506 0.622 1
1 521 . 6 1 1 A 49 49 ARG N N 47 120.086 118.866 1.220 1
1 522 . 6 1 1 A 50 50 GLN H H 48 8.542 8.566 -0.024 1
1 523 . 6 1 1 A 50 50 GLN HA H 48 5.478 4.993 0.485 1
1 528 . 6 1 1 A 50 50 GLN C C 48 175.697 175.453 0.244 1
1 529 . 6 1 1 A 50 50 GLN CA C 48 55.077 54.901 0.176 1
1 530 . 6 1 1 A 50 50 GLN CB C 48 31.751 30.335 1.416 1
1 532 . 6 1 1 A 50 50 GLN N N 48 120.774 120.343 0.431 1
1 533 . 6 1 1 A 51 51 VAL H H 49 8.710 9.289 -0.579 1
1 534 . 6 1 1 A 51 51 VAL HA H 49 4.781 4.863 -0.082 1
1 542 . 6 1 1 A 51 51 VAL C C 49 175.185 173.633 1.552 1
1 543 . 6 1 1 A 51 51 VAL CA C 49 59.344 59.156 0.188 1
1 544 . 6 1 1 A 51 51 VAL CB C 49 36.024 35.410 0.614 1
1 547 . 6 1 1 A 51 51 VAL N N 49 117.392 118.551 -1.159 1
1 548 . 6 1 1 A 52 52 CYS H H 50 9.184 8.990 0.194 1
1 549 . 6 1 1 A 52 52 CYS HA H 50 5.313 5.340 -0.027 1
1 552 . 6 1 1 A 52 52 CYS C C 50 174.380 173.462 0.918 1
1 553 . 6 1 1 A 52 52 CYS CA C 50 57.984 54.236 3.748 1
1 554 . 6 1 1 A 52 52 CYS CB C 50 42.661 45.217 -2.556 1
1 555 . 6 1 1 A 52 52 CYS N N 50 124.238 121.191 3.047 1
1 556 . 6 1 1 A 53 53 ILE H H 51 8.434 9.437 -1.003 1
1 557 . 6 1 1 A 53 53 ILE HA H 51 4.928 5.317 -0.389 1
1 567 . 6 1 1 A 53 53 ILE C C 51 172.931 173.398 -0.467 1
1 568 . 6 1 1 A 53 53 ILE CA C 51 58.675 59.117 -0.442 1
1 569 . 6 1 1 A 53 53 ILE CB C 51 42.309 41.643 0.666 1
1 573 . 6 1 1 A 53 53 ILE N N 51 122.034 121.594 0.440 1
1 574 . 6 1 1 A 54 54 ASP H H 52 7.702 8.704 -1.002 1
1 575 . 6 1 1 A 54 54 ASP HA H 52 3.426 4.978 -1.552 1
1 578 . 6 1 1 A 54 54 ASP CA C 52 51.251 50.377 0.874 1
1 579 . 6 1 1 A 54 54 ASP CB C 52 42.515 42.702 -0.187 1
1 580 . 6 1 1 A 54 54 ASP N N 52 125.815 122.038 3.777 1
1 581 . 6 1 1 A 55 55 PRO HA H 53 3.986 4.152 -0.166 1
1 588 . 6 1 1 A 55 55 PRO C C 53 176.034 178.021 -1.987 1
1 589 . 6 1 1 A 55 55 PRO CA C 53 63.947 64.282 -0.335 1
1 590 . 6 1 1 A 55 55 PRO CB C 53 33.000 31.857 1.143 1
1 593 . 6 1 1 A 56 56 LYS H H 54 7.889 8.301 -0.412 1
1 594 . 6 1 1 A 56 56 LYS HA H 54 3.993 4.016 -0.023 1
1 603 . 6 1 1 A 56 56 LYS C C 54 177.922 177.100 0.822 1
1 604 . 6 1 1 A 56 56 LYS CA C 54 56.729 58.146 -1.417 1
1 605 . 6 1 1 A 56 56 LYS CB C 54 31.751 32.009 -0.258 1
1 609 . 6 1 1 A 56 56 LYS N N 54 112.456 117.174 -4.718 1
1 610 . 6 1 1 A 57 57 LEU H H 55 7.157 7.274 -0.117 1
1 611 . 6 1 1 A 57 57 LEU HA H 55 4.040 4.137 -0.097 1
1 621 . 6 1 1 A 57 57 LEU C C 55 179.268 177.325 1.943 1
1 622 . 6 1 1 A 57 57 LEU CA C 55 55.997 55.433 0.564 1
1 623 . 6 1 1 A 57 57 LEU CB C 55 42.309 41.912 0.397 1
1 627 . 6 1 1 A 57 57 LEU N N 55 120.452 120.952 -0.500 1
1 628 . 6 1 1 A 58 58 LYS H H 56 8.731 8.878 -0.147 1
1 629 . 6 1 1 A 58 58 LYS HA H 56 3.913 3.817 0.096 1
1 638 . 6 1 1 A 58 58 LYS C C 56 178.917 178.436 0.481 1
1 639 . 6 1 1 A 58 58 LYS CA C 56 60.202 59.458 0.744 1
1 640 . 6 1 1 A 58 58 LYS CB C 56 32.253 32.115 0.138 1
1 644 . 6 1 1 A 58 58 LYS N N 56 125.307 126.197 -0.890 1
1 645 . 6 1 1 A 59 59 TRP H H 57 7.884 8.194 -0.310 1
1 646 . 6 1 1 A 59 59 TRP HA H 57 4.637 4.735 -0.098 1
1 654 . 6 1 1 A 59 59 TRP C C 57 178.829 179.560 -0.731 1
1 655 . 6 1 1 A 59 59 TRP CA C 57 58.779 59.879 -1.100 1
1 656 . 6 1 1 A 59 59 TRP CB C 57 27.854 28.141 -0.287 1
1 662 . 6 1 1 A 59 59 TRP N N 57 113.503 119.355 -5.852 1
1 663 . 6 1 1 A 60 60 ILE H H 58 6.449 7.263 -0.814 1
1 664 . 6 1 1 A 60 60 ILE HA H 58 3.284 3.003 0.281 1
1 674 . 6 1 1 A 60 60 ILE C C 58 177.687 177.904 -0.217 1
1 675 . 6 1 1 A 60 60 ILE CA C 58 64.177 64.877 -0.700 1
1 676 . 6 1 1 A 60 60 ILE CB C 58 35.710 37.238 -1.528 1
1 680 . 6 1 1 A 60 60 ILE N N 58 124.379 122.304 2.075 1
1 681 . 6 1 1 A 61 61 GLN H H 59 7.646 7.632 0.014 1
1 682 . 6 1 1 A 61 61 GLN HA H 59 3.738 4.039 -0.301 1
1 689 . 6 1 1 A 61 61 GLN C C 59 178.361 178.999 -0.638 1
1 690 . 6 1 1 A 61 61 GLN CA C 59 59.302 59.066 0.236 1
1 691 . 6 1 1 A 61 61 GLN CB C 59 28.357 27.896 0.461 1
1 693 . 6 1 1 A 61 61 GLN N N 59 118.966 118.035 0.931 1
1 695 . 6 1 1 A 62 62 GLU H H 60 8.075 7.602 0.473 1
1 696 . 6 1 1 A 62 62 GLU HA H 60 4.076 4.111 -0.035 1
1 701 . 6 1 1 A 62 62 GLU C C 60 179.019 178.557 0.462 1
1 702 . 6 1 1 A 62 62 GLU CA C 60 59.637 58.958 0.679 1
1 703 . 6 1 1 A 62 62 GLU CB C 60 30.368 29.534 0.834 1
1 705 . 6 1 1 A 62 62 GLU N N 60 117.105 120.980 -3.875 1
1 706 . 6 1 1 A 63 63 TYR H H 61 7.922 7.996 -0.074 1
1 707 . 6 1 1 A 63 63 TYR HA H 61 4.237 4.329 -0.092 1
1 714 . 6 1 1 A 63 63 TYR C C 61 178.551 177.922 0.629 1
1 715 . 6 1 1 A 63 63 TYR CA C 61 61.206 61.563 -0.357 1
1 716 . 6 1 1 A 63 63 TYR CB C 61 39.669 38.952 0.717 1
1 719 . 6 1 1 A 63 63 TYR N N 61 121.402 122.744 -1.342 1
1 720 . 6 1 1 A 64 64 LEU H H 62 8.227 7.885 0.342 1
1 721 . 6 1 1 A 64 64 LEU HA H 62 3.957 4.053 -0.096 1
1 731 . 6 1 1 A 64 64 LEU C C 62 179.458 179.010 0.448 1
1 732 . 6 1 1 A 64 64 LEU CA C 62 57.880 58.124 -0.244 1
1 733 . 6 1 1 A 64 64 LEU CB C 62 42.434 41.055 1.379 1
1 737 . 6 1 1 A 64 64 LEU N N 62 116.209 119.713 -3.504 1
1 738 . 6 1 1 A 65 65 GLU H H 63 8.472 8.254 0.218 1
1 739 . 6 1 1 A 65 65 GLU HA H 63 3.827 4.065 -0.238 1
1 744 . 6 1 1 A 65 65 GLU C C 63 179.166 178.686 0.480 1
1 745 . 6 1 1 A 65 65 GLU CA C 63 60.265 59.598 0.667 1
1 746 . 6 1 1 A 65 65 GLU CB C 63 29.739 29.217 0.522 1
1 748 . 6 1 1 A 65 65 GLU N N 63 118.559 119.242 -0.683 1
1 749 . 6 1 1 A 66 66 LYS H H 64 7.554 7.781 -0.227 1
1 750 . 6 1 1 A 66 66 LYS HA H 64 4.215 4.241 -0.026 1
1 759 . 6 1 1 A 66 66 LYS C C 64 178.302 177.529 0.773 1
1 760 . 6 1 1 A 66 66 LYS CA C 64 58.481 58.016 0.465 1
1 761 . 6 1 1 A 66 66 LYS CB C 64 32.505 32.195 0.310 1
1 765 . 6 1 1 A 66 66 LYS N N 64 117.056 117.765 -0.709 1
1 766 . 6 1 1 A 67 67 CYS H H 65 7.918 7.895 0.023 1
1 767 . 6 1 1 A 67 67 CYS HA H 65 4.532 4.657 -0.125 1
1 770 . 6 1 1 A 67 67 CYS C C 65 174.775 173.274 1.501 1
1 771 . 6 1 1 A 67 67 CYS CA C 65 56.102 58.171 -2.069 1
1 772 . 6 1 1 A 67 67 CYS CB C 65 45.325 28.122 17.203 1
1 773 . 6 1 1 A 67 67 CYS N N 65 115.236 116.631 -1.395 1
1 774 . 6 1 1 A 68 68 LEU H H 66 7.558 7.561 -0.003 1
1 775 . 6 1 1 A 68 68 LEU HA H 66 4.520 4.577 -0.057 1
1 785 . 6 1 1 A 68 68 LEU C C 66 176.765 176.489 0.276 1
1 786 . 6 1 1 A 68 68 LEU CA C 66 55.202 53.774 1.428 1
1 787 . 6 1 1 A 68 68 LEU CB C 66 43.314 42.705 0.609 1
1 791 . 6 1 1 A 68 68 LEU N N 66 121.130 122.663 -1.533 1
1 792 . 6 1 1 A 69 69 ASN H H 67 8.306 9.528 -1.222 1
1 793 . 6 1 1 A 69 69 ASN HA H 67 4.639 4.432 0.207 1
1 798 . 6 1 1 A 69 69 ASN C C 67 174.189 175.180 -0.991 1
1 799 . 6 1 1 A 69 69 ASN CA C 67 53.654 54.580 -0.926 1
1 800 . 6 1 1 A 69 69 ASN CB C 67 38.978 37.234 1.744 1
1 801 . 6 1 1 A 69 69 ASN N N 67 120.313 124.318 -4.005 1
1 3 . 7 1 1 A 4 4 PRO HA H 2 4.490 4.295 0.195 1
1 10 . 7 1 1 A 4 4 PRO C C 2 177.102 176.756 0.346 1
1 11 . 7 1 1 A 4 4 PRO CA C 2 63.319 65.771 -2.452 1
1 12 . 7 1 1 A 4 4 PRO CB C 2 32.575 31.591 0.984 1
1 15 . 7 1 1 A 5 5 VAL H H 3 8.259 8.006 0.253 1
1 16 . 7 1 1 A 5 5 VAL HA H 3 4.117 4.254 -0.137 1
1 24 . 7 1 1 A 5 5 VAL C C 3 176.385 175.720 0.665 1
1 25 . 7 1 1 A 5 5 VAL CA C 3 62.629 63.004 -0.375 1
1 26 . 7 1 1 A 5 5 VAL CB C 3 33.146 34.400 -1.254 1
1 29 . 7 1 1 A 5 5 VAL N N 3 120.806 114.975 5.831 1
1 30 . 7 1 1 A 6 6 SER H H 4 8.345 7.509 0.836 1
1 31 . 7 1 1 A 6 6 SER HA H 4 4.479 4.648 -0.169 1
1 34 . 7 1 1 A 6 6 SER C C 4 174.687 171.986 2.701 1
1 35 . 7 1 1 A 6 6 SER CA C 4 58.340 57.043 1.297 1
1 36 . 7 1 1 A 6 6 SER CB C 4 64.208 65.448 -1.240 1
1 37 . 7 1 1 A 6 6 SER N N 4 119.332 111.631 7.701 1
1 38 . 7 1 1 A 7 7 LEU H H 5 8.334 8.552 -0.218 1
1 39 . 7 1 1 A 7 7 LEU HA H 5 4.384 4.716 -0.332 1
1 45 . 7 1 1 A 7 7 LEU C C 5 177.424 174.834 2.590 1
1 46 . 7 1 1 A 7 7 LEU CA C 5 55.495 54.605 0.890 1
1 47 . 7 1 1 A 7 7 LEU CB C 5 42.786 45.234 -2.448 1
1 49 . 7 1 1 A 7 7 LEU N N 5 124.942 125.003 -0.061 1
1 50 . 7 1 1 A 8 8 SER H H 6 8.198 8.614 -0.416 1
1 51 . 7 1 1 A 8 8 SER HA H 6 4.407 4.613 -0.206 1
1 54 . 7 1 1 A 8 8 SER C C 6 174.306 172.970 1.336 1
1 55 . 7 1 1 A 8 8 SER CA C 6 58.696 56.156 2.540 1
1 56 . 7 1 1 A 8 8 SER CB C 6 64.136 65.143 -1.007 1
1 57 . 7 1 1 A 8 8 SER N N 6 116.070 118.848 -2.778 1
1 58 . 7 1 1 A 9 9 TYR H H 7 8.005 8.909 -0.904 1
1 59 . 7 1 1 A 9 9 TYR HA H 7 4.547 4.350 0.197 1
1 66 . 7 1 1 A 9 9 TYR C C 7 175.507 176.477 -0.970 1
1 67 . 7 1 1 A 9 9 TYR CA C 7 58.236 59.844 -1.608 1
1 68 . 7 1 1 A 9 9 TYR CB C 7 39.144 38.390 0.754 1
1 71 . 7 1 1 A 9 9 TYR N N 7 122.102 121.799 0.303 1
1 72 . 7 1 1 A 10 10 ARG H H 8 8.142 7.911 0.231 1
1 73 . 7 1 1 A 10 10 ARG HA H 8 4.302 4.366 -0.064 1
1 80 . 7 1 1 A 10 10 ARG C C 8 175.946 175.634 0.312 1
1 81 . 7 1 1 A 10 10 ARG CA C 8 56.102 55.814 0.288 1
1 82 . 7 1 1 A 10 10 ARG CB C 8 31.004 30.688 0.316 1
1 85 . 7 1 1 A 10 10 ARG N N 8 122.105 117.432 4.673 1
1 86 . 7 1 1 A 11 11 CYS H H 9 8.185 8.758 -0.573 1
1 87 . 7 1 1 A 11 11 CYS HA H 9 4.952 5.009 -0.057 1
1 90 . 7 1 1 A 11 11 CYS CA C 9 53.192 54.775 -1.583 1
1 91 . 7 1 1 A 11 11 CYS CB C 9 40.250 43.231 -2.981 1
1 92 . 7 1 1 A 11 11 CYS N N 9 121.511 121.481 0.030 1
1 93 . 7 1 1 A 12 12 PRO HA H 10 4.315 4.290 0.025 1
1 100 . 7 1 1 A 12 12 PRO C C 10 177.980 176.538 1.442 1
1 101 . 7 1 1 A 12 12 PRO CA C 10 65.345 65.504 -0.159 1
1 102 . 7 1 1 A 12 12 PRO CB C 10 32.575 31.300 1.275 1
1 105 . 7 1 1 A 13 13 CYS H H 11 8.719 8.127 0.592 1
1 106 . 7 1 1 A 13 13 CYS N N 11 115.047 116.017 -0.970 1
1 107 . 7 1 1 A 14 14 ARG HA H 12 4.028 4.422 -0.394 1
1 114 . 7 1 1 A 14 14 ARG C C 12 175.097 176.419 -1.322 1
1 115 . 7 1 1 A 14 14 ARG CA C 12 57.503 57.505 -0.002 1
1 116 . 7 1 1 A 14 14 ARG CB C 12 31.289 31.052 0.237 1
1 119 . 7 1 1 A 15 15 PHE H H 13 7.607 7.708 -0.101 1
1 120 . 7 1 1 A 15 15 PHE HA H 13 4.497 5.354 -0.857 1
1 127 . 7 1 1 A 15 15 PHE C C 13 174.292 173.218 1.074 1
1 128 . 7 1 1 A 15 15 PHE CA C 13 56.060 55.824 0.236 1
1 129 . 7 1 1 A 15 15 PHE CB C 13 41.122 43.041 -1.919 1
1 132 . 7 1 1 A 15 15 PHE N N 13 116.487 114.934 1.553 1
1 133 . 7 1 1 A 16 16 PHE H H 14 8.202 8.876 -0.674 1
1 134 . 7 1 1 A 16 16 PHE HA H 14 4.793 5.944 -1.151 1
1 141 . 7 1 1 A 16 16 PHE C C 14 175.433 173.109 2.324 1
1 142 . 7 1 1 A 16 16 PHE CA C 14 55.516 55.241 0.275 1
1 143 . 7 1 1 A 16 16 PHE CB C 14 41.096 42.615 -1.519 1
1 146 . 7 1 1 A 16 16 PHE N N 14 119.591 116.607 2.984 1
1 147 . 7 1 1 A 17 17 GLU H H 15 8.749 9.511 -0.762 1
1 148 . 7 1 1 A 17 17 GLU HA H 15 4.579 4.235 0.344 1
1 153 . 7 1 1 A 17 17 GLU C C 15 176.809 176.176 0.633 1
1 154 . 7 1 1 A 17 17 GLU CA C 15 56.395 56.505 -0.110 1
1 155 . 7 1 1 A 17 17 GLU CB C 15 30.932 30.250 0.682 1
1 157 . 7 1 1 A 17 17 GLU N N 15 122.719 122.247 0.472 1
1 158 . 7 1 1 A 18 18 SER H H 16 8.764 8.685 0.079 1
1 159 . 7 1 1 A 18 18 SER HA H 16 4.697 4.785 -0.088 1
1 162 . 7 1 1 A 18 18 SER CA C 16 59.637 58.868 0.769 1
1 163 . 7 1 1 A 18 18 SER CB C 16 64.708 63.881 0.827 1
1 164 . 7 1 1 A 18 18 SER N N 16 118.765 120.477 -1.712 1
1 165 . 7 1 1 A 19 19 HIS H H 17 8.617 8.226 0.391 1
1 166 . 7 1 1 A 19 19 HIS HA H 17 4.770 4.913 -0.143 1
1 171 . 7 1 1 A 19 19 HIS C C 17 174.658 173.537 1.121 1
1 172 . 7 1 1 A 19 19 HIS CA C 17 56.750 53.672 3.078 1
1 173 . 7 1 1 A 19 19 HIS CB C 17 29.718 30.430 -0.712 1
1 176 . 7 1 1 A 19 19 HIS N N 17 119.651 121.624 -1.973 1
1 177 . 7 1 1 A 20 20 VAL H H 18 7.360 8.671 -1.311 1
1 178 . 7 1 1 A 20 20 VAL HA H 18 4.100 4.643 -0.543 1
1 186 . 7 1 1 A 20 20 VAL C C 18 174.424 173.186 1.238 1
1 187 . 7 1 1 A 20 20 VAL CA C 18 62.252 60.237 2.015 1
1 188 . 7 1 1 A 20 20 VAL CB C 18 34.146 35.448 -1.302 1
1 191 . 7 1 1 A 20 20 VAL N N 18 121.352 125.462 -4.110 1
1 192 . 7 1 1 A 21 21 ALA H H 19 8.570 8.568 0.002 1
1 193 . 7 1 1 A 21 21 ALA HA H 19 4.345 4.556 -0.211 1
1 197 . 7 1 1 A 21 21 ALA C C 19 177.570 177.599 -0.029 1
1 198 . 7 1 1 A 21 21 ALA CA C 19 50.997 50.280 0.717 1
1 199 . 7 1 1 A 21 21 ALA CB C 19 19.579 20.599 -1.020 1
1 200 . 7 1 1 A 21 21 ALA N N 19 131.401 130.479 0.922 1
1 201 . 7 1 1 A 22 22 ARG H H 20 7.838 8.015 -0.177 1
1 202 . 7 1 1 A 22 22 ARG HA H 20 2.545 2.961 -0.416 1
1 209 . 7 1 1 A 22 22 ARG C C 20 178.258 177.257 1.001 1
1 210 . 7 1 1 A 22 22 ARG CA C 20 59.407 58.553 0.854 1
1 211 . 7 1 1 A 22 22 ARG CB C 20 29.433 29.120 0.313 1
1 214 . 7 1 1 A 22 22 ARG N N 20 124.465 122.988 1.477 1
1 215 . 7 1 1 A 23 23 ALA H H 21 8.203 7.461 0.742 1
1 216 . 7 1 1 A 23 23 ALA HA H 21 4.069 4.099 -0.030 1
1 220 . 7 1 1 A 23 23 ALA C C 21 177.995 178.712 -0.717 1
1 221 . 7 1 1 A 23 23 ALA CA C 21 54.000 53.586 0.414 1
1 222 . 7 1 1 A 23 23 ALA CB C 21 18.722 18.226 0.496 1
1 223 . 7 1 1 A 23 23 ALA N N 21 117.242 120.832 -3.590 1
1 224 . 7 1 1 A 24 24 ASN H H 22 7.739 7.929 -0.190 1
1 225 . 7 1 1 A 24 24 ASN HA H 22 4.988 4.793 0.195 1
1 230 . 7 1 1 A 24 24 ASN C C 22 174.848 175.619 -0.771 1
1 231 . 7 1 1 A 24 24 ASN CA C 22 52.509 54.465 -1.956 1
1 232 . 7 1 1 A 24 24 ASN CB C 22 40.358 39.455 0.903 1
1 233 . 7 1 1 A 24 24 ASN N N 22 112.861 115.997 -3.136 1
1 235 . 7 1 1 A 25 25 VAL H H 23 7.524 7.262 0.262 1
1 236 . 7 1 1 A 25 25 VAL HA H 23 4.272 3.934 0.338 1
1 244 . 7 1 1 A 25 25 VAL C C 23 175.755 175.542 0.213 1
1 245 . 7 1 1 A 25 25 VAL CA C 23 62.859 63.416 -0.557 1
1 246 . 7 1 1 A 25 25 VAL CB C 23 33.432 31.966 1.466 1
1 249 . 7 1 1 A 25 25 VAL N N 23 119.883 118.195 1.688 1
1 250 . 7 1 1 A 26 26 LYS H H 24 9.527 9.226 0.301 1
1 251 . 7 1 1 A 26 26 LYS HA H 24 4.298 4.315 -0.017 1
1 260 . 7 1 1 A 26 26 LYS C C 24 176.634 176.624 0.010 1
1 261 . 7 1 1 A 26 26 LYS CA C 24 58.989 58.005 0.984 1
1 262 . 7 1 1 A 26 26 LYS CB C 24 34.390 32.898 1.492 1
1 266 . 7 1 1 A 26 26 LYS N N 24 128.312 127.457 0.855 1
1 267 . 7 1 1 A 27 27 HIS H H 25 7.214 7.487 -0.273 1
1 268 . 7 1 1 A 27 27 HIS HA H 25 4.965 5.045 -0.080 1
1 273 . 7 1 1 A 27 27 HIS C C 25 172.740 172.625 0.115 1
1 274 . 7 1 1 A 27 27 HIS CA C 25 55.328 54.814 0.514 1
1 275 . 7 1 1 A 27 27 HIS CB C 25 32.882 31.338 1.544 1
1 278 . 7 1 1 A 27 27 HIS N N 25 109.505 113.906 -4.401 1
1 279 . 7 1 1 A 28 28 LEU H H 26 8.066 8.835 -0.769 1
1 280 . 7 1 1 A 28 28 LEU HA H 26 5.156 5.636 -0.480 1
1 290 . 7 1 1 A 28 28 LEU C C 26 175.346 175.432 -0.086 1
1 291 . 7 1 1 A 28 28 LEU CA C 26 53.466 53.297 0.169 1
1 292 . 7 1 1 A 28 28 LEU CB C 26 45.200 45.250 -0.050 1
1 296 . 7 1 1 A 28 28 LEU N N 26 116.963 119.913 -2.950 1
1 297 . 7 1 1 A 29 29 LYS H H 27 9.549 8.969 0.580 1
1 298 . 7 1 1 A 29 29 LYS HA H 27 5.353 5.216 0.137 1
1 307 . 7 1 1 A 29 29 LYS C C 27 174.716 174.587 0.129 1
1 308 . 7 1 1 A 29 29 LYS CA C 27 55.118 54.755 0.363 1
1 309 . 7 1 1 A 29 29 LYS CB C 27 35.144 35.734 -0.590 1
1 313 . 7 1 1 A 29 29 LYS N N 27 123.299 122.783 0.516 1
1 314 . 7 1 1 A 30 30 ILE H H 28 9.140 8.940 0.200 1
1 315 . 7 1 1 A 30 30 ILE HA H 28 4.910 5.160 -0.250 1
1 325 . 7 1 1 A 30 30 ILE C C 28 176.970 174.904 2.066 1
1 326 . 7 1 1 A 30 30 ILE CA C 28 60.390 59.470 0.920 1
1 327 . 7 1 1 A 30 30 ILE CB C 28 39.603 38.186 1.417 1
1 331 . 7 1 1 A 30 30 ILE N N 28 123.823 127.856 -4.033 1
1 332 . 7 1 1 A 31 31 LEU H H 29 8.866 9.389 -0.523 1
1 333 . 7 1 1 A 31 31 LEU HA H 29 4.580 4.689 -0.109 1
1 342 . 7 1 1 A 31 31 LEU C C 29 175.975 176.088 -0.113 1
1 343 . 7 1 1 A 31 31 LEU CA C 29 55.474 53.585 1.889 1
1 344 . 7 1 1 A 31 31 LEU CB C 29 42.749 43.131 -0.382 1
1 347 . 7 1 1 A 31 31 LEU N N 29 128.835 129.121 -0.286 1
1 348 . 7 1 1 A 32 32 ASN H H 30 8.211 8.645 -0.434 1
1 349 . 7 1 1 A 32 32 ASN HA H 30 4.998 4.897 0.101 1
1 354 . 7 1 1 A 32 32 ASN C C 30 174.658 174.743 -0.085 1
1 355 . 7 1 1 A 32 32 ASN CA C 30 52.524 52.531 -0.007 1
1 356 . 7 1 1 A 32 32 ASN CB C 30 38.978 39.098 -0.120 1
1 357 . 7 1 1 A 32 32 ASN N N 30 120.696 122.467 -1.771 1
1 359 . 7 1 1 A 33 33 THR H H 31 7.925 8.183 -0.258 1
1 360 . 7 1 1 A 33 33 THR HA H 31 4.784 4.993 -0.209 1
1 365 . 7 1 1 A 33 33 THR CA C 31 58.046 58.257 -0.211 1
1 366 . 7 1 1 A 33 33 THR CB C 31 70.341 70.706 -0.365 1
1 368 . 7 1 1 A 33 33 THR N N 31 116.303 116.760 -0.457 1
1 369 . 7 1 1 A 34 34 PRO HA H 32 4.300 4.397 -0.097 1
1 376 . 7 1 1 A 34 34 PRO C C 32 176.765 177.224 -0.459 1
1 377 . 7 1 1 A 34 34 PRO CA C 32 65.164 65.009 0.155 1
1 378 . 7 1 1 A 34 34 PRO CB C 32 32.484 31.964 0.520 1
1 381 . 7 1 1 A 35 35 ASN H H 33 8.294 8.297 -0.003 1
1 382 . 7 1 1 A 35 35 ASN C C 33 174.541 174.451 0.090 1
1 383 . 7 1 1 A 35 35 ASN N N 33 120.212 115.125 5.087 1
1 384 . 7 1 1 A 36 36 CYS H H 34 7.561 7.741 -0.180 1
1 385 . 7 1 1 A 36 36 CYS HA H 34 4.884 4.997 -0.113 1
1 388 . 7 1 1 A 36 36 CYS C C 34 173.838 173.367 0.471 1
1 389 . 7 1 1 A 36 36 CYS CA C 34 55.139 54.627 0.512 1
1 390 . 7 1 1 A 36 36 CYS CB C 34 45.200 46.523 -1.323 1
1 391 . 7 1 1 A 36 36 CYS N N 34 116.986 117.065 -0.079 1
1 392 . 7 1 1 A 37 37 ALA H H 35 8.520 8.778 -0.258 1
1 393 . 7 1 1 A 37 37 ALA HA H 35 4.233 4.368 -0.135 1
1 397 . 7 1 1 A 37 37 ALA C C 35 176.326 177.589 -1.263 1
1 398 . 7 1 1 A 37 37 ALA CA C 35 53.152 53.941 -0.789 1
1 399 . 7 1 1 A 37 37 ALA CB C 35 18.930 19.933 -1.003 1
1 400 . 7 1 1 A 37 37 ALA N N 35 125.167 124.265 0.902 1
1 401 . 7 1 1 A 38 38 CYS H H 36 8.343 7.816 0.527 1
1 402 . 7 1 1 A 38 38 CYS HA H 36 4.213 4.721 -0.508 1
1 405 . 7 1 1 A 38 38 CYS C C 36 173.589 172.607 0.982 1
1 406 . 7 1 1 A 38 38 CYS CA C 36 58.487 58.383 0.104 1
1 407 . 7 1 1 A 38 38 CYS CB C 36 45.702 29.944 15.758 1
1 408 . 7 1 1 A 38 38 CYS N N 36 118.786 114.453 4.333 1
1 409 . 7 1 1 A 39 39 GLN H H 37 8.988 8.953 0.035 1
1 410 . 7 1 1 A 39 39 GLN HA H 37 4.573 4.907 -0.334 1
1 417 . 7 1 1 A 39 39 GLN C C 37 173.545 174.760 -1.215 1
1 418 . 7 1 1 A 39 39 GLN CA C 37 54.491 54.607 -0.116 1
1 419 . 7 1 1 A 39 39 GLN CB C 37 31.876 30.096 1.780 1
1 421 . 7 1 1 A 39 39 GLN N N 37 128.825 125.953 2.872 1
1 423 . 7 1 1 A 40 40 ILE H H 38 8.967 9.033 -0.066 1
1 424 . 7 1 1 A 40 40 ILE HA H 38 5.095 5.146 -0.051 1
1 434 . 7 1 1 A 40 40 ILE C C 38 174.336 174.572 -0.236 1
1 435 . 7 1 1 A 40 40 ILE CA C 38 60.620 59.972 0.648 1
1 436 . 7 1 1 A 40 40 ILE CB C 38 40.235 40.577 -0.342 1
1 440 . 7 1 1 A 40 40 ILE N N 38 124.006 124.816 -0.810 1
1 441 . 7 1 1 A 41 41 VAL H H 39 9.130 9.181 -0.051 1
1 442 . 7 1 1 A 41 41 VAL HA H 39 4.926 4.791 0.135 1
1 450 . 7 1 1 A 41 41 VAL C C 39 175.492 174.530 0.962 1
1 451 . 7 1 1 A 41 41 VAL CA C 39 59.993 60.964 -0.971 1
1 452 . 7 1 1 A 41 41 VAL CB C 39 35.270 34.122 1.148 1
1 455 . 7 1 1 A 41 41 VAL N N 39 125.973 128.103 -2.130 1
1 456 . 7 1 1 A 42 42 ALA H H 40 9.558 9.072 0.486 1
1 457 . 7 1 1 A 42 42 ALA HA H 40 5.123 5.265 -0.142 1
1 461 . 7 1 1 A 42 42 ALA C C 40 175.931 175.163 0.768 1
1 462 . 7 1 1 A 42 42 ALA CA C 40 50.558 50.036 0.522 1
1 463 . 7 1 1 A 42 42 ALA CB C 40 22.072 21.367 0.705 1
1 464 . 7 1 1 A 42 42 ALA N N 40 128.264 129.033 -0.769 1
1 465 . 7 1 1 A 43 43 ARG H H 41 7.707 8.441 -0.734 1
1 466 . 7 1 1 A 43 43 ARG HA H 41 4.966 4.805 0.161 1
1 473 . 7 1 1 A 43 43 ARG C C 41 175.477 175.136 0.341 1
1 474 . 7 1 1 A 43 43 ARG CA C 41 54.000 54.455 -0.455 1
1 475 . 7 1 1 A 43 43 ARG CB C 41 31.122 32.098 -0.976 1
1 478 . 7 1 1 A 43 43 ARG N N 41 121.647 123.504 -1.857 1
1 479 . 7 1 1 A 44 44 LEU H H 42 9.183 8.575 0.608 1
1 480 . 7 1 1 A 44 44 LEU HA H 42 5.009 4.530 0.479 1
1 490 . 7 1 1 A 44 44 LEU C C 42 177.848 177.665 0.183 1
1 491 . 7 1 1 A 44 44 LEU CA C 42 54.596 54.122 0.474 1
1 492 . 7 1 1 A 44 44 LEU CB C 42 41.806 42.341 -0.535 1
1 496 . 7 1 1 A 44 44 LEU N N 42 128.821 128.006 0.815 1
1 497 . 7 1 1 A 45 45 LYS H H 43 8.449 9.156 -0.707 1
1 498 . 7 1 1 A 45 45 LYS N N 43 119.659 122.909 -3.250 1
1 499 . 7 1 1 A 48 48 ASN HA H 46 4.716 5.069 -0.353 1
1 504 . 7 1 1 A 48 48 ASN C C 46 175.155 174.890 0.265 1
1 505 . 7 1 1 A 48 48 ASN CA C 46 54.616 52.312 2.304 1
1 506 . 7 1 1 A 48 48 ASN CB C 46 39.292 40.370 -1.078 1
1 508 . 7 1 1 A 49 49 ARG H H 47 7.926 8.710 -0.784 1
1 509 . 7 1 1 A 49 49 ARG HA H 47 4.274 4.949 -0.675 1
1 516 . 7 1 1 A 49 49 ARG C C 47 175.433 174.681 0.752 1
1 517 . 7 1 1 A 49 49 ARG CA C 47 57.252 53.931 3.321 1
1 518 . 7 1 1 A 49 49 ARG CB C 47 32.128 31.844 0.284 1
1 521 . 7 1 1 A 49 49 ARG N N 47 120.086 117.650 2.436 1
1 522 . 7 1 1 A 50 50 GLN H H 48 8.542 8.554 -0.012 1
1 523 . 7 1 1 A 50 50 GLN HA H 48 5.478 5.010 0.468 1
1 528 . 7 1 1 A 50 50 GLN C C 48 175.697 175.410 0.287 1
1 529 . 7 1 1 A 50 50 GLN CA C 48 55.077 54.879 0.198 1
1 530 . 7 1 1 A 50 50 GLN CB C 48 31.751 30.161 1.590 1
1 532 . 7 1 1 A 50 50 GLN N N 48 120.774 119.739 1.035 1
1 533 . 7 1 1 A 51 51 VAL H H 49 8.710 9.050 -0.340 1
1 534 . 7 1 1 A 51 51 VAL HA H 49 4.781 4.828 -0.047 1
1 542 . 7 1 1 A 51 51 VAL C C 49 175.185 173.482 1.703 1
1 543 . 7 1 1 A 51 51 VAL CA C 49 59.344 58.956 0.388 1
1 544 . 7 1 1 A 51 51 VAL CB C 49 36.024 35.646 0.378 1
1 547 . 7 1 1 A 51 51 VAL N N 49 117.392 118.381 -0.989 1
1 548 . 7 1 1 A 52 52 CYS H H 50 9.184 8.847 0.337 1
1 549 . 7 1 1 A 52 52 CYS HA H 50 5.313 5.369 -0.056 1
1 552 . 7 1 1 A 52 52 CYS C C 50 174.380 173.438 0.942 1
1 553 . 7 1 1 A 52 52 CYS CA C 50 57.984 54.154 3.830 1
1 554 . 7 1 1 A 52 52 CYS CB C 50 42.661 45.333 -2.672 1
1 555 . 7 1 1 A 52 52 CYS N N 50 124.238 120.674 3.564 1
1 556 . 7 1 1 A 53 53 ILE H H 51 8.434 9.441 -1.007 1
1 557 . 7 1 1 A 53 53 ILE HA H 51 4.928 5.321 -0.393 1
1 567 . 7 1 1 A 53 53 ILE C C 51 172.931 173.407 -0.476 1
1 568 . 7 1 1 A 53 53 ILE CA C 51 58.675 59.080 -0.405 1
1 569 . 7 1 1 A 53 53 ILE CB C 51 42.309 41.807 0.502 1
1 573 . 7 1 1 A 53 53 ILE N N 51 122.034 120.995 1.039 1
1 574 . 7 1 1 A 54 54 ASP H H 52 7.702 8.627 -0.925 1
1 575 . 7 1 1 A 54 54 ASP HA H 52 3.426 4.820 -1.394 1
1 578 . 7 1 1 A 54 54 ASP CA C 52 51.251 50.256 0.995 1
1 579 . 7 1 1 A 54 54 ASP CB C 52 42.515 43.159 -0.644 1
1 580 . 7 1 1 A 54 54 ASP N N 52 125.815 121.928 3.887 1
1 581 . 7 1 1 A 55 55 PRO HA H 53 3.986 4.187 -0.201 1
1 588 . 7 1 1 A 55 55 PRO C C 53 176.034 177.814 -1.780 1
1 589 . 7 1 1 A 55 55 PRO CA C 53 63.947 63.949 -0.002 1
1 590 . 7 1 1 A 55 55 PRO CB C 53 33.000 31.597 1.403 1
1 593 . 7 1 1 A 56 56 LYS H H 54 7.889 8.598 -0.709 1
1 594 . 7 1 1 A 56 56 LYS HA H 54 3.993 3.989 0.004 1
1 603 . 7 1 1 A 56 56 LYS C C 54 177.922 177.463 0.459 1
1 604 . 7 1 1 A 56 56 LYS CA C 54 56.729 58.726 -1.997 1
1 605 . 7 1 1 A 56 56 LYS CB C 54 31.751 31.852 -0.101 1
1 609 . 7 1 1 A 56 56 LYS N N 54 112.456 118.094 -5.638 1
1 610 . 7 1 1 A 57 57 LEU H H 55 7.157 7.179 -0.022 1
1 611 . 7 1 1 A 57 57 LEU HA H 55 4.040 4.130 -0.090 1
1 621 . 7 1 1 A 57 57 LEU C C 55 179.268 177.357 1.911 1
1 622 . 7 1 1 A 57 57 LEU CA C 55 55.997 55.524 0.473 1
1 623 . 7 1 1 A 57 57 LEU CB C 55 42.309 41.807 0.502 1
1 627 . 7 1 1 A 57 57 LEU N N 55 120.452 120.735 -0.283 1
1 628 . 7 1 1 A 58 58 LYS H H 56 8.731 8.756 -0.025 1
1 629 . 7 1 1 A 58 58 LYS HA H 56 3.913 3.942 -0.029 1
1 638 . 7 1 1 A 58 58 LYS C C 56 178.917 178.373 0.544 1
1 639 . 7 1 1 A 58 58 LYS CA C 56 60.202 59.238 0.964 1
1 640 . 7 1 1 A 58 58 LYS CB C 56 32.253 32.259 -0.006 1
1 644 . 7 1 1 A 58 58 LYS N N 56 125.307 125.719 -0.412 1
1 645 . 7 1 1 A 59 59 TRP H H 57 7.884 8.249 -0.365 1
1 646 . 7 1 1 A 59 59 TRP HA H 57 4.637 4.767 -0.130 1
1 654 . 7 1 1 A 59 59 TRP C C 57 178.829 179.504 -0.675 1
1 655 . 7 1 1 A 59 59 TRP CA C 57 58.779 59.950 -1.171 1
1 656 . 7 1 1 A 59 59 TRP CB C 57 27.854 28.053 -0.199 1
1 662 . 7 1 1 A 59 59 TRP N N 57 113.503 119.328 -5.825 1
1 663 . 7 1 1 A 60 60 ILE H H 58 6.449 7.572 -1.123 1
1 664 . 7 1 1 A 60 60 ILE HA H 58 3.284 3.263 0.021 1
1 674 . 7 1 1 A 60 60 ILE C C 58 177.687 177.703 -0.016 1
1 675 . 7 1 1 A 60 60 ILE CA C 58 64.177 65.003 -0.826 1
1 676 . 7 1 1 A 60 60 ILE CB C 58 35.710 37.363 -1.653 1
1 680 . 7 1 1 A 60 60 ILE N N 58 124.379 122.469 1.910 1
1 681 . 7 1 1 A 61 61 GLN H H 59 7.646 7.637 0.009 1
1 682 . 7 1 1 A 61 61 GLN HA H 59 3.738 4.055 -0.317 1
1 689 . 7 1 1 A 61 61 GLN C C 59 178.361 178.980 -0.619 1
1 690 . 7 1 1 A 61 61 GLN CA C 59 59.302 59.063 0.239 1
1 691 . 7 1 1 A 61 61 GLN CB C 59 28.357 27.953 0.404 1
1 693 . 7 1 1 A 61 61 GLN N N 59 118.966 118.221 0.745 1
1 695 . 7 1 1 A 62 62 GLU H H 60 8.075 7.798 0.277 1
1 696 . 7 1 1 A 62 62 GLU HA H 60 4.076 4.163 -0.087 1
1 701 . 7 1 1 A 62 62 GLU C C 60 179.019 178.447 0.572 1
1 702 . 7 1 1 A 62 62 GLU CA C 60 59.637 58.933 0.704 1
1 703 . 7 1 1 A 62 62 GLU CB C 60 30.368 29.540 0.828 1
1 705 . 7 1 1 A 62 62 GLU N N 60 117.105 120.973 -3.868 1
1 706 . 7 1 1 A 63 63 TYR H H 61 7.922 8.066 -0.144 1
1 707 . 7 1 1 A 63 63 TYR HA H 61 4.237 4.340 -0.103 1
1 714 . 7 1 1 A 63 63 TYR C C 61 178.551 177.893 0.658 1
1 715 . 7 1 1 A 63 63 TYR CA C 61 61.206 61.503 -0.297 1
1 716 . 7 1 1 A 63 63 TYR CB C 61 39.669 38.935 0.734 1
1 719 . 7 1 1 A 63 63 TYR N N 61 121.402 122.847 -1.445 1
1 720 . 7 1 1 A 64 64 LEU H H 62 8.227 7.916 0.311 1
1 721 . 7 1 1 A 64 64 LEU HA H 62 3.957 4.081 -0.124 1
1 731 . 7 1 1 A 64 64 LEU C C 62 179.458 178.937 0.521 1
1 732 . 7 1 1 A 64 64 LEU CA C 62 57.880 58.085 -0.205 1
1 733 . 7 1 1 A 64 64 LEU CB C 62 42.434 41.192 1.242 1
1 737 . 7 1 1 A 64 64 LEU N N 62 116.209 119.113 -2.904 1
1 738 . 7 1 1 A 65 65 GLU H H 63 8.472 8.293 0.179 1
1 739 . 7 1 1 A 65 65 GLU HA H 63 3.827 4.084 -0.257 1
1 744 . 7 1 1 A 65 65 GLU C C 63 179.166 178.340 0.826 1
1 745 . 7 1 1 A 65 65 GLU CA C 63 60.265 58.992 1.273 1
1 746 . 7 1 1 A 65 65 GLU CB C 63 29.739 29.412 0.327 1
1 748 . 7 1 1 A 65 65 GLU N N 63 118.559 118.880 -0.321 1
1 749 . 7 1 1 A 66 66 LYS H H 64 7.554 7.841 -0.287 1
1 750 . 7 1 1 A 66 66 LYS HA H 64 4.215 4.245 -0.030 1
1 759 . 7 1 1 A 66 66 LYS C C 64 178.302 177.320 0.982 1
1 760 . 7 1 1 A 66 66 LYS CA C 64 58.481 57.639 0.842 1
1 761 . 7 1 1 A 66 66 LYS CB C 64 32.505 32.278 0.227 1
1 765 . 7 1 1 A 66 66 LYS N N 64 117.056 118.061 -1.005 1
1 766 . 7 1 1 A 67 67 CYS H H 65 7.918 7.833 0.085 1
1 767 . 7 1 1 A 67 67 CYS HA H 65 4.532 4.553 -0.021 1
1 770 . 7 1 1 A 67 67 CYS C C 65 174.775 175.012 -0.237 1
1 771 . 7 1 1 A 67 67 CYS CA C 65 56.102 59.913 -3.811 1
1 772 . 7 1 1 A 67 67 CYS CB C 65 45.325 28.987 16.338 1
1 773 . 7 1 1 A 67 67 CYS N N 65 115.236 116.754 -1.518 1
1 774 . 7 1 1 A 68 68 LEU H H 66 7.558 7.488 0.070 1
1 775 . 7 1 1 A 68 68 LEU HA H 66 4.520 4.296 0.224 1
1 785 . 7 1 1 A 68 68 LEU C C 66 176.765 177.138 -0.373 1
1 786 . 7 1 1 A 68 68 LEU CA C 66 55.202 56.095 -0.893 1
1 787 . 7 1 1 A 68 68 LEU CB C 66 43.314 41.639 1.675 1
1 791 . 7 1 1 A 68 68 LEU N N 66 121.130 121.974 -0.844 1
1 792 . 7 1 1 A 69 69 ASN H H 67 8.306 9.136 -0.830 1
1 793 . 7 1 1 A 69 69 ASN HA H 67 4.639 4.301 0.338 1
1 798 . 7 1 1 A 69 69 ASN C C 67 174.189 173.840 0.349 1
1 799 . 7 1 1 A 69 69 ASN CA C 67 53.654 54.745 -1.091 1
1 800 . 7 1 1 A 69 69 ASN CB C 67 38.978 37.189 1.789 1
1 801 . 7 1 1 A 69 69 ASN N N 67 120.313 121.610 -1.297 1
1 3 . 8 1 1 A 4 4 PRO HA H 2 4.490 4.702 -0.212 1
1 10 . 8 1 1 A 4 4 PRO C C 2 177.102 176.401 0.701 1
1 11 . 8 1 1 A 4 4 PRO CA C 2 63.319 62.345 0.974 1
1 12 . 8 1 1 A 4 4 PRO CB C 2 32.575 33.059 -0.484 1
1 15 . 8 1 1 A 5 5 VAL H H 3 8.259 8.267 -0.008 1
1 16 . 8 1 1 A 5 5 VAL HA H 3 4.117 4.651 -0.534 1
1 24 . 8 1 1 A 5 5 VAL C C 3 176.385 174.498 1.887 1
1 25 . 8 1 1 A 5 5 VAL CA C 3 62.629 60.543 2.086 1
1 26 . 8 1 1 A 5 5 VAL CB C 3 33.146 32.900 0.246 1
1 29 . 8 1 1 A 5 5 VAL N N 3 120.806 116.737 4.069 1
1 30 . 8 1 1 A 6 6 SER H H 4 8.345 8.655 -0.310 1
1 31 . 8 1 1 A 6 6 SER HA H 4 4.479 4.781 -0.302 1
1 34 . 8 1 1 A 6 6 SER C C 4 174.687 173.914 0.773 1
1 35 . 8 1 1 A 6 6 SER CA C 4 58.340 58.969 -0.629 1
1 36 . 8 1 1 A 6 6 SER CB C 4 64.208 63.076 1.132 1
1 37 . 8 1 1 A 6 6 SER N N 4 119.332 124.143 -4.811 1
1 38 . 8 1 1 A 7 7 LEU H H 5 8.334 8.841 -0.507 1
1 39 . 8 1 1 A 7 7 LEU HA H 5 4.384 5.158 -0.774 1
1 45 . 8 1 1 A 7 7 LEU C C 5 177.424 175.725 1.699 1
1 46 . 8 1 1 A 7 7 LEU CA C 5 55.495 53.526 1.969 1
1 47 . 8 1 1 A 7 7 LEU CB C 5 42.786 45.728 -2.942 1
1 49 . 8 1 1 A 7 7 LEU N N 5 124.942 127.237 -2.295 1
1 50 . 8 1 1 A 8 8 SER H H 6 8.198 8.208 -0.010 1
1 51 . 8 1 1 A 8 8 SER HA H 6 4.407 4.512 -0.105 1
1 54 . 8 1 1 A 8 8 SER C C 6 174.306 173.593 0.713 1
1 55 . 8 1 1 A 8 8 SER CA C 6 58.696 58.039 0.657 1
1 56 . 8 1 1 A 8 8 SER CB C 6 64.136 63.445 0.691 1
1 57 . 8 1 1 A 8 8 SER N N 6 116.070 118.080 -2.010 1
1 58 . 8 1 1 A 9 9 TYR H H 7 8.005 8.255 -0.250 1
1 59 . 8 1 1 A 9 9 TYR HA H 7 4.547 4.780 -0.233 1
1 66 . 8 1 1 A 9 9 TYR C C 7 175.507 175.181 0.326 1
1 67 . 8 1 1 A 9 9 TYR CA C 7 58.236 58.327 -0.091 1
1 68 . 8 1 1 A 9 9 TYR CB C 7 39.144 40.375 -1.231 1
1 71 . 8 1 1 A 9 9 TYR N N 7 122.102 119.980 2.122 1
1 72 . 8 1 1 A 10 10 ARG H H 8 8.142 7.377 0.765 1
1 73 . 8 1 1 A 10 10 ARG HA H 8 4.302 4.768 -0.466 1
1 80 . 8 1 1 A 10 10 ARG C C 8 175.946 175.206 0.740 1
1 81 . 8 1 1 A 10 10 ARG CA C 8 56.102 54.940 1.162 1
1 82 . 8 1 1 A 10 10 ARG CB C 8 31.004 32.582 -1.578 1
1 85 . 8 1 1 A 10 10 ARG N N 8 122.105 118.205 3.900 1
1 86 . 8 1 1 A 11 11 CYS H H 9 8.185 8.583 -0.398 1
1 87 . 8 1 1 A 11 11 CYS HA H 9 4.952 5.095 -0.143 1
1 90 . 8 1 1 A 11 11 CYS CA C 9 53.192 54.093 -0.901 1
1 91 . 8 1 1 A 11 11 CYS CB C 9 40.250 43.757 -3.507 1
1 92 . 8 1 1 A 11 11 CYS N N 9 121.511 121.412 0.099 1
1 93 . 8 1 1 A 12 12 PRO HA H 10 4.315 4.333 -0.018 1
1 100 . 8 1 1 A 12 12 PRO C C 10 177.980 176.916 1.064 1
1 101 . 8 1 1 A 12 12 PRO CA C 10 65.345 65.511 -0.166 1
1 102 . 8 1 1 A 12 12 PRO CB C 10 32.575 31.415 1.160 1
1 105 . 8 1 1 A 13 13 CYS H H 11 8.719 7.998 0.721 1
1 106 . 8 1 1 A 13 13 CYS N N 11 115.047 115.676 -0.629 1
1 107 . 8 1 1 A 14 14 ARG HA H 12 4.028 4.730 -0.702 1
1 114 . 8 1 1 A 14 14 ARG C C 12 175.097 176.105 -1.008 1
1 115 . 8 1 1 A 14 14 ARG CA C 12 57.503 56.565 0.938 1
1 116 . 8 1 1 A 14 14 ARG CB C 12 31.289 33.347 -2.058 1
1 119 . 8 1 1 A 15 15 PHE H H 13 7.607 7.978 -0.371 1
1 120 . 8 1 1 A 15 15 PHE HA H 13 4.497 5.061 -0.564 1
1 127 . 8 1 1 A 15 15 PHE C C 13 174.292 174.006 0.286 1
1 128 . 8 1 1 A 15 15 PHE CA C 13 56.060 57.065 -1.005 1
1 129 . 8 1 1 A 15 15 PHE CB C 13 41.122 42.282 -1.160 1
1 132 . 8 1 1 A 15 15 PHE N N 13 116.487 120.515 -4.028 1
1 133 . 8 1 1 A 16 16 PHE H H 14 8.202 8.279 -0.077 1
1 134 . 8 1 1 A 16 16 PHE HA H 14 4.793 5.818 -1.025 1
1 141 . 8 1 1 A 16 16 PHE C C 14 175.433 172.823 2.610 1
1 142 . 8 1 1 A 16 16 PHE CA C 14 55.516 54.586 0.930 1
1 143 . 8 1 1 A 16 16 PHE CB C 14 41.096 42.210 -1.114 1
1 146 . 8 1 1 A 16 16 PHE N N 14 119.591 120.878 -1.287 1
1 147 . 8 1 1 A 17 17 GLU H H 15 8.749 9.588 -0.839 1
1 148 . 8 1 1 A 17 17 GLU HA H 15 4.579 4.495 0.084 1
1 153 . 8 1 1 A 17 17 GLU C C 15 176.809 177.367 -0.558 1
1 154 . 8 1 1 A 17 17 GLU CA C 15 56.395 55.849 0.546 1
1 155 . 8 1 1 A 17 17 GLU CB C 15 30.932 31.285 -0.353 1
1 157 . 8 1 1 A 17 17 GLU N N 15 122.719 121.959 0.760 1
1 158 . 8 1 1 A 18 18 SER H H 16 8.764 8.815 -0.051 1
1 159 . 8 1 1 A 18 18 SER HA H 16 4.697 4.686 0.011 1
1 162 . 8 1 1 A 18 18 SER CA C 16 59.637 58.947 0.690 1
1 163 . 8 1 1 A 18 18 SER CB C 16 64.708 63.953 0.755 1
1 164 . 8 1 1 A 18 18 SER N N 16 118.765 122.194 -3.429 1
1 165 . 8 1 1 A 19 19 HIS H H 17 8.617 7.708 0.909 1
1 166 . 8 1 1 A 19 19 HIS HA H 17 4.770 4.753 0.017 1
1 171 . 8 1 1 A 19 19 HIS C C 17 174.658 174.149 0.509 1
1 172 . 8 1 1 A 19 19 HIS CA C 17 56.750 54.617 2.133 1
1 173 . 8 1 1 A 19 19 HIS CB C 17 29.718 28.895 0.823 1
1 176 . 8 1 1 A 19 19 HIS N N 17 119.651 120.902 -1.251 1
1 177 . 8 1 1 A 20 20 VAL H H 18 7.360 8.071 -0.711 1
1 178 . 8 1 1 A 20 20 VAL HA H 18 4.100 4.548 -0.448 1
1 186 . 8 1 1 A 20 20 VAL C C 18 174.424 173.145 1.279 1
1 187 . 8 1 1 A 20 20 VAL CA C 18 62.252 60.545 1.707 1
1 188 . 8 1 1 A 20 20 VAL CB C 18 34.146 35.546 -1.400 1
1 191 . 8 1 1 A 20 20 VAL N N 18 121.352 124.774 -3.422 1
1 192 . 8 1 1 A 21 21 ALA H H 19 8.570 8.383 0.187 1
1 193 . 8 1 1 A 21 21 ALA HA H 19 4.345 4.562 -0.217 1
1 197 . 8 1 1 A 21 21 ALA C C 19 177.570 177.422 0.148 1
1 198 . 8 1 1 A 21 21 ALA CA C 19 50.997 50.810 0.187 1
1 199 . 8 1 1 A 21 21 ALA CB C 19 19.579 22.343 -2.764 1
1 200 . 8 1 1 A 21 21 ALA N N 19 131.401 128.303 3.098 1
1 201 . 8 1 1 A 22 22 ARG H H 20 7.838 7.897 -0.059 1
1 202 . 8 1 1 A 22 22 ARG HA H 20 2.545 2.962 -0.417 1
1 209 . 8 1 1 A 22 22 ARG C C 20 178.258 177.291 0.967 1
1 210 . 8 1 1 A 22 22 ARG CA C 20 59.407 58.682 0.725 1
1 211 . 8 1 1 A 22 22 ARG CB C 20 29.433 29.254 0.179 1
1 214 . 8 1 1 A 22 22 ARG N N 20 124.465 120.753 3.712 1
1 215 . 8 1 1 A 23 23 ALA H H 21 8.203 7.494 0.709 1
1 216 . 8 1 1 A 23 23 ALA HA H 21 4.069 4.111 -0.042 1
1 220 . 8 1 1 A 23 23 ALA C C 21 177.995 178.466 -0.471 1
1 221 . 8 1 1 A 23 23 ALA CA C 21 54.000 53.678 0.322 1
1 222 . 8 1 1 A 23 23 ALA CB C 21 18.722 18.320 0.402 1
1 223 . 8 1 1 A 23 23 ALA N N 21 117.242 120.575 -3.333 1
1 224 . 8 1 1 A 24 24 ASN H H 22 7.739 7.876 -0.137 1
1 225 . 8 1 1 A 24 24 ASN HA H 22 4.988 4.852 0.136 1
1 230 . 8 1 1 A 24 24 ASN C C 22 174.848 175.594 -0.746 1
1 231 . 8 1 1 A 24 24 ASN CA C 22 52.509 54.170 -1.661 1
1 232 . 8 1 1 A 24 24 ASN CB C 22 40.358 39.858 0.500 1
1 233 . 8 1 1 A 24 24 ASN N N 22 112.861 115.863 -3.002 1
1 235 . 8 1 1 A 25 25 VAL H H 23 7.524 7.320 0.204 1
1 236 . 8 1 1 A 25 25 VAL HA H 23 4.272 4.066 0.206 1
1 244 . 8 1 1 A 25 25 VAL C C 23 175.755 175.442 0.313 1
1 245 . 8 1 1 A 25 25 VAL CA C 23 62.859 63.470 -0.611 1
1 246 . 8 1 1 A 25 25 VAL CB C 23 33.432 31.939 1.493 1
1 249 . 8 1 1 A 25 25 VAL N N 23 119.883 119.316 0.567 1
1 250 . 8 1 1 A 26 26 LYS H H 24 9.527 9.368 0.159 1
1 251 . 8 1 1 A 26 26 LYS HA H 24 4.298 4.336 -0.038 1
1 260 . 8 1 1 A 26 26 LYS C C 24 176.634 176.668 -0.034 1
1 261 . 8 1 1 A 26 26 LYS CA C 24 58.989 57.907 1.082 1
1 262 . 8 1 1 A 26 26 LYS CB C 24 34.390 33.006 1.384 1
1 266 . 8 1 1 A 26 26 LYS N N 24 128.312 127.596 0.716 1
1 267 . 8 1 1 A 27 27 HIS H H 25 7.214 7.517 -0.303 1
1 268 . 8 1 1 A 27 27 HIS HA H 25 4.965 5.035 -0.070 1
1 273 . 8 1 1 A 27 27 HIS C C 25 172.740 172.628 0.112 1
1 274 . 8 1 1 A 27 27 HIS CA C 25 55.328 54.758 0.570 1
1 275 . 8 1 1 A 27 27 HIS CB C 25 32.882 31.294 1.588 1
1 278 . 8 1 1 A 27 27 HIS N N 25 109.505 113.703 -4.198 1
1 279 . 8 1 1 A 28 28 LEU H H 26 8.066 8.815 -0.749 1
1 280 . 8 1 1 A 28 28 LEU HA H 26 5.156 5.680 -0.524 1
1 290 . 8 1 1 A 28 28 LEU C C 26 175.346 175.436 -0.090 1
1 291 . 8 1 1 A 28 28 LEU CA C 26 53.466 53.297 0.169 1
1 292 . 8 1 1 A 28 28 LEU CB C 26 45.200 45.251 -0.051 1
1 296 . 8 1 1 A 28 28 LEU N N 26 116.963 119.974 -3.011 1
1 297 . 8 1 1 A 29 29 LYS H H 27 9.549 9.092 0.457 1
1 298 . 8 1 1 A 29 29 LYS HA H 27 5.353 5.216 0.137 1
1 307 . 8 1 1 A 29 29 LYS C C 27 174.716 174.524 0.192 1
1 308 . 8 1 1 A 29 29 LYS CA C 27 55.118 54.798 0.320 1
1 309 . 8 1 1 A 29 29 LYS CB C 27 35.144 35.920 -0.776 1
1 313 . 8 1 1 A 29 29 LYS N N 27 123.299 122.717 0.582 1
1 314 . 8 1 1 A 30 30 ILE H H 28 9.140 8.911 0.229 1
1 315 . 8 1 1 A 30 30 ILE HA H 28 4.910 4.998 -0.088 1
1 325 . 8 1 1 A 30 30 ILE C C 28 176.970 174.742 2.228 1
1 326 . 8 1 1 A 30 30 ILE CA C 28 60.390 59.328 1.062 1
1 327 . 8 1 1 A 30 30 ILE CB C 28 39.603 38.467 1.136 1
1 331 . 8 1 1 A 30 30 ILE N N 28 123.823 127.319 -3.496 1
1 332 . 8 1 1 A 31 31 LEU H H 29 8.866 9.522 -0.656 1
1 333 . 8 1 1 A 31 31 LEU HA H 29 4.580 4.820 -0.240 1
1 342 . 8 1 1 A 31 31 LEU C C 29 175.975 175.958 0.017 1
1 343 . 8 1 1 A 31 31 LEU CA C 29 55.474 53.607 1.867 1
1 344 . 8 1 1 A 31 31 LEU CB C 29 42.749 43.666 -0.917 1
1 347 . 8 1 1 A 31 31 LEU N N 29 128.835 128.908 -0.073 1
1 348 . 8 1 1 A 32 32 ASN H H 30 8.211 8.722 -0.511 1
1 349 . 8 1 1 A 32 32 ASN HA H 30 4.998 5.014 -0.016 1
1 354 . 8 1 1 A 32 32 ASN C C 30 174.658 175.342 -0.684 1
1 355 . 8 1 1 A 32 32 ASN CA C 30 52.524 52.639 -0.115 1
1 356 . 8 1 1 A 32 32 ASN CB C 30 38.978 39.410 -0.432 1
1 357 . 8 1 1 A 32 32 ASN N N 30 120.696 123.044 -2.348 1
1 359 . 8 1 1 A 33 33 THR H H 31 7.925 8.221 -0.296 1
1 360 . 8 1 1 A 33 33 THR HA H 31 4.784 4.973 -0.189 1
1 365 . 8 1 1 A 33 33 THR CA C 31 58.046 58.421 -0.375 1
1 366 . 8 1 1 A 33 33 THR CB C 31 70.341 69.864 0.477 1
1 368 . 8 1 1 A 33 33 THR N N 31 116.303 117.017 -0.714 1
1 369 . 8 1 1 A 34 34 PRO HA H 32 4.300 4.374 -0.074 1
1 376 . 8 1 1 A 34 34 PRO C C 32 176.765 176.814 -0.049 1
1 377 . 8 1 1 A 34 34 PRO CA C 32 65.164 65.331 -0.167 1
1 378 . 8 1 1 A 34 34 PRO CB C 32 32.484 31.729 0.755 1
1 381 . 8 1 1 A 35 35 ASN H H 33 8.294 8.048 0.246 1
1 382 . 8 1 1 A 35 35 ASN C C 33 174.541 173.252 1.289 1
1 383 . 8 1 1 A 35 35 ASN N N 33 120.212 113.506 6.706 1
1 384 . 8 1 1 A 36 36 CYS H H 34 7.561 8.327 -0.766 1
1 385 . 8 1 1 A 36 36 CYS HA H 34 4.884 5.063 -0.179 1
1 388 . 8 1 1 A 36 36 CYS C C 34 173.838 172.563 1.275 1
1 389 . 8 1 1 A 36 36 CYS CA C 34 55.139 55.140 -0.001 1
1 390 . 8 1 1 A 36 36 CYS CB C 34 45.200 47.274 -2.074 1
1 391 . 8 1 1 A 36 36 CYS N N 34 116.986 122.968 -5.982 1
1 392 . 8 1 1 A 37 37 ALA H H 35 8.520 8.520 0.000 1
1 393 . 8 1 1 A 37 37 ALA HA H 35 4.233 4.379 -0.146 1
1 397 . 8 1 1 A 37 37 ALA C C 35 176.326 177.087 -0.761 1
1 398 . 8 1 1 A 37 37 ALA CA C 35 53.152 51.919 1.233 1
1 399 . 8 1 1 A 37 37 ALA CB C 35 18.930 20.303 -1.373 1
1 400 . 8 1 1 A 37 37 ALA N N 35 125.167 124.662 0.505 1
1 401 . 8 1 1 A 38 38 CYS H H 36 8.343 8.416 -0.073 1
1 402 . 8 1 1 A 38 38 CYS HA H 36 4.213 4.259 -0.046 1
1 405 . 8 1 1 A 38 38 CYS C C 36 173.589 173.890 -0.301 1
1 406 . 8 1 1 A 38 38 CYS CA C 36 58.487 59.453 -0.966 1
1 407 . 8 1 1 A 38 38 CYS CB C 36 45.702 28.153 17.549 1
1 408 . 8 1 1 A 38 38 CYS N N 36 118.786 118.655 0.131 1
1 409 . 8 1 1 A 39 39 GLN H H 37 8.988 8.602 0.386 1
1 410 . 8 1 1 A 39 39 GLN HA H 37 4.573 4.685 -0.112 1
1 417 . 8 1 1 A 39 39 GLN C C 37 173.545 174.877 -1.332 1
1 418 . 8 1 1 A 39 39 GLN CA C 37 54.491 55.718 -1.227 1
1 419 . 8 1 1 A 39 39 GLN CB C 37 31.876 29.595 2.281 1
1 421 . 8 1 1 A 39 39 GLN N N 37 128.825 127.218 1.607 1
1 423 . 8 1 1 A 40 40 ILE H H 38 8.967 8.510 0.457 1
1 424 . 8 1 1 A 40 40 ILE HA H 38 5.095 5.094 0.001 1
1 434 . 8 1 1 A 40 40 ILE C C 38 174.336 174.657 -0.321 1
1 435 . 8 1 1 A 40 40 ILE CA C 38 60.620 59.874 0.746 1
1 436 . 8 1 1 A 40 40 ILE CB C 38 40.235 40.955 -0.720 1
1 440 . 8 1 1 A 40 40 ILE N N 38 124.006 125.303 -1.297 1
1 441 . 8 1 1 A 41 41 VAL H H 39 9.130 9.403 -0.273 1
1 442 . 8 1 1 A 41 41 VAL HA H 39 4.926 4.882 0.044 1
1 450 . 8 1 1 A 41 41 VAL C C 39 175.492 174.503 0.989 1
1 451 . 8 1 1 A 41 41 VAL CA C 39 59.993 61.110 -1.117 1
1 452 . 8 1 1 A 41 41 VAL CB C 39 35.270 34.033 1.237 1
1 455 . 8 1 1 A 41 41 VAL N N 39 125.973 127.373 -1.400 1
1 456 . 8 1 1 A 42 42 ALA H H 40 9.558 9.229 0.329 1
1 457 . 8 1 1 A 42 42 ALA HA H 40 5.123 5.315 -0.192 1
1 461 . 8 1 1 A 42 42 ALA C C 40 175.931 175.132 0.799 1
1 462 . 8 1 1 A 42 42 ALA CA C 40 50.558 49.977 0.581 1
1 463 . 8 1 1 A 42 42 ALA CB C 40 22.072 21.504 0.568 1
1 464 . 8 1 1 A 42 42 ALA N N 40 128.264 129.146 -0.882 1
1 465 . 8 1 1 A 43 43 ARG H H 41 7.707 8.645 -0.938 1
1 466 . 8 1 1 A 43 43 ARG HA H 41 4.966 4.854 0.112 1
1 473 . 8 1 1 A 43 43 ARG C C 41 175.477 175.115 0.362 1
1 474 . 8 1 1 A 43 43 ARG CA C 41 54.000 54.510 -0.510 1
1 475 . 8 1 1 A 43 43 ARG CB C 41 31.122 32.671 -1.549 1
1 478 . 8 1 1 A 43 43 ARG N N 41 121.647 123.777 -2.130 1
1 479 . 8 1 1 A 44 44 LEU H H 42 9.183 8.661 0.522 1
1 480 . 8 1 1 A 44 44 LEU HA H 42 5.009 4.816 0.193 1
1 490 . 8 1 1 A 44 44 LEU C C 42 177.848 177.284 0.564 1
1 491 . 8 1 1 A 44 44 LEU CA C 42 54.596 53.946 0.650 1
1 492 . 8 1 1 A 44 44 LEU CB C 42 41.806 42.633 -0.827 1
1 496 . 8 1 1 A 44 44 LEU N N 42 128.821 128.235 0.586 1
1 497 . 8 1 1 A 45 45 LYS H H 43 8.449 8.779 -0.330 1
1 498 . 8 1 1 A 45 45 LYS N N 43 119.659 121.352 -1.693 1
1 499 . 8 1 1 A 48 48 ASN HA H 46 4.716 4.737 -0.021 1
1 504 . 8 1 1 A 48 48 ASN C C 46 175.155 174.939 0.216 1
1 505 . 8 1 1 A 48 48 ASN CA C 46 54.616 51.947 2.669 1
1 506 . 8 1 1 A 48 48 ASN CB C 46 39.292 40.202 -0.910 1
1 508 . 8 1 1 A 49 49 ARG H H 47 7.926 8.666 -0.740 1
1 509 . 8 1 1 A 49 49 ARG HA H 47 4.274 4.957 -0.683 1
1 516 . 8 1 1 A 49 49 ARG C C 47 175.433 174.504 0.929 1
1 517 . 8 1 1 A 49 49 ARG CA C 47 57.252 53.921 3.331 1
1 518 . 8 1 1 A 49 49 ARG CB C 47 32.128 32.109 0.019 1
1 521 . 8 1 1 A 49 49 ARG N N 47 120.086 118.258 1.828 1
1 522 . 8 1 1 A 50 50 GLN H H 48 8.542 8.613 -0.071 1
1 523 . 8 1 1 A 50 50 GLN HA H 48 5.478 5.019 0.459 1
1 528 . 8 1 1 A 50 50 GLN C C 48 175.697 175.357 0.340 1
1 529 . 8 1 1 A 50 50 GLN CA C 48 55.077 54.906 0.171 1
1 530 . 8 1 1 A 50 50 GLN CB C 48 31.751 30.300 1.451 1
1 532 . 8 1 1 A 50 50 GLN N N 48 120.774 120.524 0.250 1
1 533 . 8 1 1 A 51 51 VAL H H 49 8.710 9.338 -0.628 1
1 534 . 8 1 1 A 51 51 VAL HA H 49 4.781 4.855 -0.074 1
1 542 . 8 1 1 A 51 51 VAL C C 49 175.185 173.578 1.607 1
1 543 . 8 1 1 A 51 51 VAL CA C 49 59.344 59.027 0.317 1
1 544 . 8 1 1 A 51 51 VAL CB C 49 36.024 35.361 0.663 1
1 547 . 8 1 1 A 51 51 VAL N N 49 117.392 118.888 -1.496 1
1 548 . 8 1 1 A 52 52 CYS H H 50 9.184 8.984 0.200 1
1 549 . 8 1 1 A 52 52 CYS HA H 50 5.313 5.363 -0.050 1
1 552 . 8 1 1 A 52 52 CYS C C 50 174.380 173.416 0.964 1
1 553 . 8 1 1 A 52 52 CYS CA C 50 57.984 54.190 3.794 1
1 554 . 8 1 1 A 52 52 CYS CB C 50 42.661 45.372 -2.711 1
1 555 . 8 1 1 A 52 52 CYS N N 50 124.238 120.985 3.253 1
1 556 . 8 1 1 A 53 53 ILE H H 51 8.434 9.549 -1.115 1
1 557 . 8 1 1 A 53 53 ILE HA H 51 4.928 5.214 -0.286 1
1 567 . 8 1 1 A 53 53 ILE C C 51 172.931 173.441 -0.510 1
1 568 . 8 1 1 A 53 53 ILE CA C 51 58.675 59.074 -0.399 1
1 569 . 8 1 1 A 53 53 ILE CB C 51 42.309 41.506 0.803 1
1 573 . 8 1 1 A 53 53 ILE N N 51 122.034 121.529 0.505 1
1 574 . 8 1 1 A 54 54 ASP H H 52 7.702 8.566 -0.864 1
1 575 . 8 1 1 A 54 54 ASP HA H 52 3.426 4.848 -1.422 1
1 578 . 8 1 1 A 54 54 ASP CA C 52 51.251 50.260 0.991 1
1 579 . 8 1 1 A 54 54 ASP CB C 52 42.515 43.175 -0.660 1
1 580 . 8 1 1 A 54 54 ASP N N 52 125.815 121.978 3.837 1
1 581 . 8 1 1 A 55 55 PRO HA H 53 3.986 4.118 -0.132 1
1 588 . 8 1 1 A 55 55 PRO C C 53 176.034 178.208 -2.174 1
1 589 . 8 1 1 A 55 55 PRO CA C 53 63.947 64.217 -0.270 1
1 590 . 8 1 1 A 55 55 PRO CB C 53 33.000 31.791 1.209 1
1 593 . 8 1 1 A 56 56 LYS H H 54 7.889 8.101 -0.212 1
1 594 . 8 1 1 A 56 56 LYS HA H 54 3.993 3.972 0.021 1
1 603 . 8 1 1 A 56 56 LYS C C 54 177.922 177.442 0.480 1
1 604 . 8 1 1 A 56 56 LYS CA C 54 56.729 58.645 -1.916 1
1 605 . 8 1 1 A 56 56 LYS CB C 54 31.751 31.695 0.056 1
1 609 . 8 1 1 A 56 56 LYS N N 54 112.456 117.766 -5.310 1
1 610 . 8 1 1 A 57 57 LEU H H 55 7.157 7.062 0.095 1
1 611 . 8 1 1 A 57 57 LEU HA H 55 4.040 4.116 -0.076 1
1 621 . 8 1 1 A 57 57 LEU C C 55 179.268 177.408 1.860 1
1 622 . 8 1 1 A 57 57 LEU CA C 55 55.997 55.436 0.561 1
1 623 . 8 1 1 A 57 57 LEU CB C 55 42.309 41.845 0.464 1
1 627 . 8 1 1 A 57 57 LEU N N 55 120.452 120.616 -0.164 1
1 628 . 8 1 1 A 58 58 LYS H H 56 8.731 8.754 -0.023 1
1 629 . 8 1 1 A 58 58 LYS HA H 56 3.913 3.873 0.040 1
1 638 . 8 1 1 A 58 58 LYS C C 56 178.917 178.473 0.444 1
1 639 . 8 1 1 A 58 58 LYS CA C 56 60.202 59.088 1.114 1
1 640 . 8 1 1 A 58 58 LYS CB C 56 32.253 32.096 0.157 1
1 644 . 8 1 1 A 58 58 LYS N N 56 125.307 126.629 -1.322 1
1 645 . 8 1 1 A 59 59 TRP H H 57 7.884 8.246 -0.362 1
1 646 . 8 1 1 A 59 59 TRP HA H 57 4.637 4.775 -0.138 1
1 654 . 8 1 1 A 59 59 TRP C C 57 178.829 179.467 -0.638 1
1 655 . 8 1 1 A 59 59 TRP CA C 57 58.779 59.967 -1.188 1
1 656 . 8 1 1 A 59 59 TRP CB C 57 27.854 27.935 -0.081 1
1 662 . 8 1 1 A 59 59 TRP N N 57 113.503 119.282 -5.779 1
1 663 . 8 1 1 A 60 60 ILE H H 58 6.449 7.239 -0.790 1
1 664 . 8 1 1 A 60 60 ILE HA H 58 3.284 3.134 0.150 1
1 674 . 8 1 1 A 60 60 ILE C C 58 177.687 177.653 0.034 1
1 675 . 8 1 1 A 60 60 ILE CA C 58 64.177 64.620 -0.443 1
1 676 . 8 1 1 A 60 60 ILE CB C 58 35.710 37.046 -1.336 1
1 680 . 8 1 1 A 60 60 ILE N N 58 124.379 122.503 1.876 1
1 681 . 8 1 1 A 61 61 GLN H H 59 7.646 7.878 -0.232 1
1 682 . 8 1 1 A 61 61 GLN HA H 59 3.738 3.845 -0.107 1
1 689 . 8 1 1 A 61 61 GLN C C 59 178.361 178.908 -0.547 1
1 690 . 8 1 1 A 61 61 GLN CA C 59 59.302 59.135 0.167 1
1 691 . 8 1 1 A 61 61 GLN CB C 59 28.357 28.337 0.020 1
1 693 . 8 1 1 A 61 61 GLN N N 59 118.966 118.032 0.934 1
1 695 . 8 1 1 A 62 62 GLU H H 60 8.075 8.240 -0.165 1
1 696 . 8 1 1 A 62 62 GLU HA H 60 4.076 4.115 -0.039 1
1 701 . 8 1 1 A 62 62 GLU C C 60 179.019 178.563 0.456 1
1 702 . 8 1 1 A 62 62 GLU CA C 60 59.637 59.109 0.528 1
1 703 . 8 1 1 A 62 62 GLU CB C 60 30.368 29.614 0.754 1
1 705 . 8 1 1 A 62 62 GLU N N 60 117.105 120.699 -3.594 1
1 706 . 8 1 1 A 63 63 TYR H H 61 7.922 8.098 -0.176 1
1 707 . 8 1 1 A 63 63 TYR HA H 61 4.237 4.263 -0.026 1
1 714 . 8 1 1 A 63 63 TYR C C 61 178.551 177.820 0.731 1
1 715 . 8 1 1 A 63 63 TYR CA C 61 61.206 61.511 -0.305 1
1 716 . 8 1 1 A 63 63 TYR CB C 61 39.669 39.014 0.655 1
1 719 . 8 1 1 A 63 63 TYR N N 61 121.402 122.217 -0.815 1
1 720 . 8 1 1 A 64 64 LEU H H 62 8.227 7.847 0.380 1
1 721 . 8 1 1 A 64 64 LEU HA H 62 3.957 4.117 -0.160 1
1 731 . 8 1 1 A 64 64 LEU C C 62 179.458 178.998 0.460 1
1 732 . 8 1 1 A 64 64 LEU CA C 62 57.880 58.152 -0.272 1
1 733 . 8 1 1 A 64 64 LEU CB C 62 42.434 41.165 1.269 1
1 737 . 8 1 1 A 64 64 LEU N N 62 116.209 119.426 -3.217 1
1 738 . 8 1 1 A 65 65 GLU H H 63 8.472 8.488 -0.016 1
1 739 . 8 1 1 A 65 65 GLU HA H 63 3.827 4.075 -0.248 1
1 744 . 8 1 1 A 65 65 GLU C C 63 179.166 179.218 -0.052 1
1 745 . 8 1 1 A 65 65 GLU CA C 63 60.265 59.569 0.696 1
1 746 . 8 1 1 A 65 65 GLU CB C 63 29.739 29.246 0.493 1
1 748 . 8 1 1 A 65 65 GLU N N 63 118.559 119.229 -0.670 1
1 749 . 8 1 1 A 66 66 LYS H H 64 7.554 7.807 -0.253 1
1 750 . 8 1 1 A 66 66 LYS HA H 64 4.215 4.212 0.003 1
1 759 . 8 1 1 A 66 66 LYS C C 64 178.302 177.355 0.947 1
1 760 . 8 1 1 A 66 66 LYS CA C 64 58.481 58.352 0.129 1
1 761 . 8 1 1 A 66 66 LYS CB C 64 32.505 32.355 0.150 1
1 765 . 8 1 1 A 66 66 LYS N N 64 117.056 117.933 -0.877 1
1 766 . 8 1 1 A 67 67 CYS H H 65 7.918 7.870 0.048 1
1 767 . 8 1 1 A 67 67 CYS HA H 65 4.532 4.600 -0.068 1
1 770 . 8 1 1 A 67 67 CYS C C 65 174.775 174.253 0.522 1
1 771 . 8 1 1 A 67 67 CYS CA C 65 56.102 59.155 -3.053 1
1 772 . 8 1 1 A 67 67 CYS CB C 65 45.325 28.091 17.234 1
1 773 . 8 1 1 A 67 67 CYS N N 65 115.236 116.341 -1.105 1
1 774 . 8 1 1 A 68 68 LEU H H 66 7.558 7.495 0.063 1
1 775 . 8 1 1 A 68 68 LEU HA H 66 4.520 4.400 0.120 1
1 785 . 8 1 1 A 68 68 LEU C C 66 176.765 176.627 0.138 1
1 786 . 8 1 1 A 68 68 LEU CA C 66 55.202 54.025 1.177 1
1 787 . 8 1 1 A 68 68 LEU CB C 66 43.314 41.722 1.592 1
1 791 . 8 1 1 A 68 68 LEU N N 66 121.130 122.565 -1.435 1
1 792 . 8 1 1 A 69 69 ASN H H 67 8.306 9.526 -1.220 1
1 793 . 8 1 1 A 69 69 ASN HA H 67 4.639 4.362 0.277 1
1 798 . 8 1 1 A 69 69 ASN C C 67 174.189 175.135 -0.946 1
1 799 . 8 1 1 A 69 69 ASN CA C 67 53.654 54.609 -0.955 1
1 800 . 8 1 1 A 69 69 ASN CB C 67 38.978 36.823 2.155 1
1 801 . 8 1 1 A 69 69 ASN N N 67 120.313 124.443 -4.130 1
1 3 . 9 1 1 A 4 4 PRO HA H 2 4.490 4.746 -0.256 1
1 10 . 9 1 1 A 4 4 PRO C C 2 177.102 175.363 1.739 1
1 11 . 9 1 1 A 4 4 PRO CA C 2 63.319 62.771 0.548 1
1 12 . 9 1 1 A 4 4 PRO CB C 2 32.575 31.762 0.813 1
1 15 . 9 1 1 A 5 5 VAL H H 3 8.259 8.642 -0.383 1
1 16 . 9 1 1 A 5 5 VAL HA H 3 4.117 4.839 -0.722 1
1 24 . 9 1 1 A 5 5 VAL C C 3 176.385 173.637 2.748 1
1 25 . 9 1 1 A 5 5 VAL CA C 3 62.629 59.534 3.095 1
1 26 . 9 1 1 A 5 5 VAL CB C 3 33.146 35.773 -2.627 1
1 29 . 9 1 1 A 5 5 VAL N N 3 120.806 123.811 -3.005 1
1 30 . 9 1 1 A 6 6 SER H H 4 8.345 8.709 -0.364 1
1 31 . 9 1 1 A 6 6 SER HA H 4 4.479 5.165 -0.686 1
1 34 . 9 1 1 A 6 6 SER C C 4 174.687 173.728 0.959 1
1 35 . 9 1 1 A 6 6 SER CA C 4 58.340 57.447 0.893 1
1 36 . 9 1 1 A 6 6 SER CB C 4 64.208 65.003 -0.795 1
1 37 . 9 1 1 A 6 6 SER N N 4 119.332 124.140 -4.808 1
1 38 . 9 1 1 A 7 7 LEU H H 5 8.334 9.111 -0.777 1
1 39 . 9 1 1 A 7 7 LEU HA H 5 4.384 5.137 -0.753 1
1 45 . 9 1 1 A 7 7 LEU C C 5 177.424 175.768 1.656 1
1 46 . 9 1 1 A 7 7 LEU CA C 5 55.495 53.708 1.787 1
1 47 . 9 1 1 A 7 7 LEU CB C 5 42.786 44.471 -1.685 1
1 49 . 9 1 1 A 7 7 LEU N N 5 124.942 126.382 -1.440 1
1 50 . 9 1 1 A 8 8 SER H H 6 8.198 8.750 -0.552 1
1 51 . 9 1 1 A 8 8 SER HA H 6 4.407 4.957 -0.550 1
1 54 . 9 1 1 A 8 8 SER C C 6 174.306 174.308 -0.002 1
1 55 . 9 1 1 A 8 8 SER CA C 6 58.696 57.092 1.604 1
1 56 . 9 1 1 A 8 8 SER CB C 6 64.136 65.374 -1.238 1
1 57 . 9 1 1 A 8 8 SER N N 6 116.070 116.778 -0.708 1
1 58 . 9 1 1 A 9 9 TYR H H 7 8.005 8.319 -0.314 1
1 59 . 9 1 1 A 9 9 TYR HA H 7 4.547 4.549 -0.002 1
1 66 . 9 1 1 A 9 9 TYR C C 7 175.507 174.653 0.854 1
1 67 . 9 1 1 A 9 9 TYR CA C 7 58.236 61.635 -3.399 1
1 68 . 9 1 1 A 9 9 TYR CB C 7 39.144 36.266 2.878 1
1 71 . 9 1 1 A 9 9 TYR N N 7 122.102 118.054 4.048 1
1 72 . 9 1 1 A 10 10 ARG H H 8 8.142 7.981 0.161 1
1 73 . 9 1 1 A 10 10 ARG HA H 8 4.302 4.656 -0.354 1
1 80 . 9 1 1 A 10 10 ARG C C 8 175.946 175.230 0.716 1
1 81 . 9 1 1 A 10 10 ARG CA C 8 56.102 54.985 1.117 1
1 82 . 9 1 1 A 10 10 ARG CB C 8 31.004 31.697 -0.693 1
1 85 . 9 1 1 A 10 10 ARG N N 8 122.105 120.989 1.116 1
1 86 . 9 1 1 A 11 11 CYS H H 9 8.185 8.786 -0.601 1
1 87 . 9 1 1 A 11 11 CYS HA H 9 4.952 5.039 -0.087 1
1 90 . 9 1 1 A 11 11 CYS CA C 9 53.192 54.763 -1.571 1
1 91 . 9 1 1 A 11 11 CYS CB C 9 40.250 43.212 -2.962 1
1 92 . 9 1 1 A 11 11 CYS N N 9 121.511 124.306 -2.795 1
1 93 . 9 1 1 A 12 12 PRO HA H 10 4.315 4.364 -0.049 1
1 100 . 9 1 1 A 12 12 PRO C C 10 177.980 177.083 0.897 1
1 101 . 9 1 1 A 12 12 PRO CA C 10 65.345 66.112 -0.767 1
1 102 . 9 1 1 A 12 12 PRO CB C 10 32.575 30.951 1.624 1
1 105 . 9 1 1 A 13 13 CYS H H 11 8.719 8.327 0.392 1
1 106 . 9 1 1 A 13 13 CYS N N 11 115.047 114.974 0.073 1
1 107 . 9 1 1 A 14 14 ARG HA H 12 4.028 4.387 -0.359 1
1 114 . 9 1 1 A 14 14 ARG C C 12 175.097 175.963 -0.866 1
1 115 . 9 1 1 A 14 14 ARG CA C 12 57.503 56.892 0.611 1
1 116 . 9 1 1 A 14 14 ARG CB C 12 31.289 30.670 0.619 1
1 119 . 9 1 1 A 15 15 PHE H H 13 7.607 8.014 -0.407 1
1 120 . 9 1 1 A 15 15 PHE HA H 13 4.497 5.123 -0.626 1
1 127 . 9 1 1 A 15 15 PHE C C 13 174.292 175.423 -1.131 1
1 128 . 9 1 1 A 15 15 PHE CA C 13 56.060 56.478 -0.418 1
1 129 . 9 1 1 A 15 15 PHE CB C 13 41.122 41.300 -0.178 1
1 132 . 9 1 1 A 15 15 PHE N N 13 116.487 118.453 -1.966 1
1 133 . 9 1 1 A 16 16 PHE H H 14 8.202 9.196 -0.994 1
1 134 . 9 1 1 A 16 16 PHE HA H 14 4.793 5.788 -0.995 1
1 141 . 9 1 1 A 16 16 PHE C C 14 175.433 172.566 2.867 1
1 142 . 9 1 1 A 16 16 PHE CA C 14 55.516 55.128 0.388 1
1 143 . 9 1 1 A 16 16 PHE CB C 14 41.096 42.511 -1.415 1
1 146 . 9 1 1 A 16 16 PHE N N 14 119.591 118.551 1.040 1
1 147 . 9 1 1 A 17 17 GLU H H 15 8.749 9.491 -0.742 1
1 148 . 9 1 1 A 17 17 GLU HA H 15 4.579 4.354 0.225 1
1 153 . 9 1 1 A 17 17 GLU C C 15 176.809 177.331 -0.522 1
1 154 . 9 1 1 A 17 17 GLU CA C 15 56.395 56.554 -0.159 1
1 155 . 9 1 1 A 17 17 GLU CB C 15 30.932 30.333 0.599 1
1 157 . 9 1 1 A 17 17 GLU N N 15 122.719 122.137 0.582 1
1 158 . 9 1 1 A 18 18 SER H H 16 8.764 8.663 0.101 1
1 159 . 9 1 1 A 18 18 SER HA H 16 4.697 4.640 0.057 1
1 162 . 9 1 1 A 18 18 SER CA C 16 59.637 59.115 0.522 1
1 163 . 9 1 1 A 18 18 SER CB C 16 64.708 64.084 0.624 1
1 164 . 9 1 1 A 18 18 SER N N 16 118.765 121.601 -2.836 1
1 165 . 9 1 1 A 19 19 HIS H H 17 8.617 7.781 0.836 1
1 166 . 9 1 1 A 19 19 HIS HA H 17 4.770 4.641 0.129 1
1 171 . 9 1 1 A 19 19 HIS C C 17 174.658 173.605 1.053 1
1 172 . 9 1 1 A 19 19 HIS CA C 17 56.750 54.362 2.388 1
1 173 . 9 1 1 A 19 19 HIS CB C 17 29.718 28.388 1.330 1
1 176 . 9 1 1 A 19 19 HIS N N 17 119.651 122.151 -2.500 1
1 177 . 9 1 1 A 20 20 VAL H H 18 7.360 7.609 -0.249 1
1 178 . 9 1 1 A 20 20 VAL HA H 18 4.100 4.688 -0.588 1
1 186 . 9 1 1 A 20 20 VAL C C 18 174.424 174.801 -0.377 1
1 187 . 9 1 1 A 20 20 VAL CA C 18 62.252 61.206 1.046 1
1 188 . 9 1 1 A 20 20 VAL CB C 18 34.146 34.138 0.008 1
1 191 . 9 1 1 A 20 20 VAL N N 18 121.352 122.942 -1.590 1
1 192 . 9 1 1 A 21 21 ALA H H 19 8.570 8.625 -0.055 1
1 193 . 9 1 1 A 21 21 ALA HA H 19 4.345 4.458 -0.113 1
1 197 . 9 1 1 A 21 21 ALA C C 19 177.570 177.511 0.059 1
1 198 . 9 1 1 A 21 21 ALA CA C 19 50.997 50.154 0.843 1
1 199 . 9 1 1 A 21 21 ALA CB C 19 19.579 21.022 -1.443 1
1 200 . 9 1 1 A 21 21 ALA N N 19 131.401 130.584 0.817 1
1 201 . 9 1 1 A 22 22 ARG H H 20 7.838 8.016 -0.178 1
1 202 . 9 1 1 A 22 22 ARG HA H 20 2.545 3.293 -0.748 1
1 209 . 9 1 1 A 22 22 ARG C C 20 178.258 177.343 0.915 1
1 210 . 9 1 1 A 22 22 ARG CA C 20 59.407 57.893 1.514 1
1 211 . 9 1 1 A 22 22 ARG CB C 20 29.433 29.520 -0.087 1
1 214 . 9 1 1 A 22 22 ARG N N 20 124.465 120.630 3.835 1
1 215 . 9 1 1 A 23 23 ALA H H 21 8.203 7.487 0.716 1
1 216 . 9 1 1 A 23 23 ALA HA H 21 4.069 4.096 -0.027 1
1 220 . 9 1 1 A 23 23 ALA C C 21 177.995 178.547 -0.552 1
1 221 . 9 1 1 A 23 23 ALA CA C 21 54.000 53.761 0.239 1
1 222 . 9 1 1 A 23 23 ALA CB C 21 18.722 18.238 0.484 1
1 223 . 9 1 1 A 23 23 ALA N N 21 117.242 121.099 -3.857 1
1 224 . 9 1 1 A 24 24 ASN H H 22 7.739 8.001 -0.262 1
1 225 . 9 1 1 A 24 24 ASN HA H 22 4.988 4.959 0.029 1
1 230 . 9 1 1 A 24 24 ASN C C 22 174.848 175.723 -0.875 1
1 231 . 9 1 1 A 24 24 ASN CA C 22 52.509 54.492 -1.983 1
1 232 . 9 1 1 A 24 24 ASN CB C 22 40.358 40.297 0.061 1
1 233 . 9 1 1 A 24 24 ASN N N 22 112.861 116.047 -3.186 1
1 235 . 9 1 1 A 25 25 VAL H H 23 7.524 7.455 0.069 1
1 236 . 9 1 1 A 25 25 VAL HA H 23 4.272 4.069 0.203 1
1 244 . 9 1 1 A 25 25 VAL C C 23 175.755 175.491 0.264 1
1 245 . 9 1 1 A 25 25 VAL CA C 23 62.859 63.571 -0.712 1
1 246 . 9 1 1 A 25 25 VAL CB C 23 33.432 32.124 1.308 1
1 249 . 9 1 1 A 25 25 VAL N N 23 119.883 118.375 1.508 1
1 250 . 9 1 1 A 26 26 LYS H H 24 9.527 9.430 0.097 1
1 251 . 9 1 1 A 26 26 LYS HA H 24 4.298 4.405 -0.107 1
1 260 . 9 1 1 A 26 26 LYS C C 24 176.634 176.752 -0.118 1
1 261 . 9 1 1 A 26 26 LYS CA C 24 58.989 57.746 1.243 1
1 262 . 9 1 1 A 26 26 LYS CB C 24 34.390 33.235 1.155 1
1 266 . 9 1 1 A 26 26 LYS N N 24 128.312 127.344 0.968 1
1 267 . 9 1 1 A 27 27 HIS H H 25 7.214 7.552 -0.338 1
1 268 . 9 1 1 A 27 27 HIS HA H 25 4.965 5.299 -0.334 1
1 273 . 9 1 1 A 27 27 HIS C C 25 172.740 172.652 0.088 1
1 274 . 9 1 1 A 27 27 HIS CA C 25 55.328 54.809 0.519 1
1 275 . 9 1 1 A 27 27 HIS CB C 25 32.882 31.329 1.553 1
1 278 . 9 1 1 A 27 27 HIS N N 25 109.505 113.660 -4.155 1
1 279 . 9 1 1 A 28 28 LEU H H 26 8.066 8.859 -0.793 1
1 280 . 9 1 1 A 28 28 LEU HA H 26 5.156 5.481 -0.325 1
1 290 . 9 1 1 A 28 28 LEU C C 26 175.346 175.128 0.218 1
1 291 . 9 1 1 A 28 28 LEU CA C 26 53.466 53.292 0.174 1
1 292 . 9 1 1 A 28 28 LEU CB C 26 45.200 45.099 0.101 1
1 296 . 9 1 1 A 28 28 LEU N N 26 116.963 119.966 -3.003 1
1 297 . 9 1 1 A 29 29 LYS H H 27 9.549 9.288 0.261 1
1 298 . 9 1 1 A 29 29 LYS HA H 27 5.353 5.203 0.150 1
1 307 . 9 1 1 A 29 29 LYS C C 27 174.716 174.697 0.019 1
1 308 . 9 1 1 A 29 29 LYS CA C 27 55.118 54.716 0.402 1
1 309 . 9 1 1 A 29 29 LYS CB C 27 35.144 35.882 -0.738 1
1 313 . 9 1 1 A 29 29 LYS N N 27 123.299 122.928 0.371 1
1 314 . 9 1 1 A 30 30 ILE H H 28 9.140 9.018 0.122 1
1 315 . 9 1 1 A 30 30 ILE HA H 28 4.910 5.123 -0.213 1
1 325 . 9 1 1 A 30 30 ILE C C 28 176.970 174.750 2.220 1
1 326 . 9 1 1 A 30 30 ILE CA C 28 60.390 59.813 0.577 1
1 327 . 9 1 1 A 30 30 ILE CB C 28 39.603 39.204 0.399 1
1 331 . 9 1 1 A 30 30 ILE N N 28 123.823 127.069 -3.246 1
1 332 . 9 1 1 A 31 31 LEU H H 29 8.866 9.573 -0.707 1
1 333 . 9 1 1 A 31 31 LEU HA H 29 4.580 4.729 -0.149 1
1 342 . 9 1 1 A 31 31 LEU C C 29 175.975 176.173 -0.198 1
1 343 . 9 1 1 A 31 31 LEU CA C 29 55.474 53.722 1.752 1
1 344 . 9 1 1 A 31 31 LEU CB C 29 42.749 43.140 -0.391 1
1 347 . 9 1 1 A 31 31 LEU N N 29 128.835 128.838 -0.003 1
1 348 . 9 1 1 A 32 32 ASN H H 30 8.211 8.688 -0.477 1
1 349 . 9 1 1 A 32 32 ASN HA H 30 4.998 5.018 -0.020 1
1 354 . 9 1 1 A 32 32 ASN C C 30 174.658 174.851 -0.193 1
1 355 . 9 1 1 A 32 32 ASN CA C 30 52.524 52.099 0.425 1
1 356 . 9 1 1 A 32 32 ASN CB C 30 38.978 39.176 -0.198 1
1 357 . 9 1 1 A 32 32 ASN N N 30 120.696 122.173 -1.477 1
1 359 . 9 1 1 A 33 33 THR H H 31 7.925 8.261 -0.336 1
1 360 . 9 1 1 A 33 33 THR HA H 31 4.784 4.897 -0.113 1
1 365 . 9 1 1 A 33 33 THR CA C 31 58.046 58.415 -0.369 1
1 366 . 9 1 1 A 33 33 THR CB C 31 70.341 69.484 0.857 1
1 368 . 9 1 1 A 33 33 THR N N 31 116.303 117.124 -0.821 1
1 369 . 9 1 1 A 34 34 PRO HA H 32 4.300 4.296 0.004 1
1 376 . 9 1 1 A 34 34 PRO C C 32 176.765 177.733 -0.968 1
1 377 . 9 1 1 A 34 34 PRO CA C 32 65.164 65.380 -0.216 1
1 378 . 9 1 1 A 34 34 PRO CB C 32 32.484 31.657 0.827 1
1 381 . 9 1 1 A 35 35 ASN H H 33 8.294 8.453 -0.159 1
1 382 . 9 1 1 A 35 35 ASN C C 33 174.541 174.451 0.090 1
1 383 . 9 1 1 A 35 35 ASN N N 33 120.212 112.005 8.207 1
1 384 . 9 1 1 A 36 36 CYS H H 34 7.561 7.621 -0.060 1
1 385 . 9 1 1 A 36 36 CYS HA H 34 4.884 4.969 -0.085 1
1 388 . 9 1 1 A 36 36 CYS C C 34 173.838 173.325 0.513 1
1 389 . 9 1 1 A 36 36 CYS CA C 34 55.139 54.952 0.187 1
1 390 . 9 1 1 A 36 36 CYS CB C 34 45.200 45.028 0.172 1
1 391 . 9 1 1 A 36 36 CYS N N 34 116.986 116.888 0.098 1
1 392 . 9 1 1 A 37 37 ALA H H 35 8.520 8.687 -0.167 1
1 393 . 9 1 1 A 37 37 ALA HA H 35 4.233 4.275 -0.042 1
1 397 . 9 1 1 A 37 37 ALA C C 35 176.326 177.548 -1.222 1
1 398 . 9 1 1 A 37 37 ALA CA C 35 53.152 54.164 -1.012 1
1 399 . 9 1 1 A 37 37 ALA CB C 35 18.930 19.899 -0.969 1
1 400 . 9 1 1 A 37 37 ALA N N 35 125.167 125.694 -0.527 1
1 401 . 9 1 1 A 38 38 CYS H H 36 8.343 7.806 0.537 1
1 402 . 9 1 1 A 38 38 CYS HA H 36 4.213 4.732 -0.519 1
1 405 . 9 1 1 A 38 38 CYS C C 36 173.589 172.738 0.851 1
1 406 . 9 1 1 A 38 38 CYS CA C 36 58.487 57.915 0.572 1
1 407 . 9 1 1 A 38 38 CYS CB C 36 45.702 30.165 15.537 1
1 408 . 9 1 1 A 38 38 CYS N N 36 118.786 114.456 4.330 1
1 409 . 9 1 1 A 39 39 GLN H H 37 8.988 8.956 0.032 1
1 410 . 9 1 1 A 39 39 GLN HA H 37 4.573 4.913 -0.340 1
1 417 . 9 1 1 A 39 39 GLN C C 37 173.545 174.542 -0.997 1
1 418 . 9 1 1 A 39 39 GLN CA C 37 54.491 54.600 -0.109 1
1 419 . 9 1 1 A 39 39 GLN CB C 37 31.876 30.113 1.763 1
1 421 . 9 1 1 A 39 39 GLN N N 37 128.825 126.024 2.801 1
1 423 . 9 1 1 A 40 40 ILE H H 38 8.967 9.098 -0.131 1
1 424 . 9 1 1 A 40 40 ILE HA H 38 5.095 5.358 -0.263 1
1 434 . 9 1 1 A 40 40 ILE C C 38 174.336 175.033 -0.697 1
1 435 . 9 1 1 A 40 40 ILE CA C 38 60.620 59.824 0.796 1
1 436 . 9 1 1 A 40 40 ILE CB C 38 40.235 40.367 -0.132 1
1 440 . 9 1 1 A 40 40 ILE N N 38 124.006 125.077 -1.071 1
1 441 . 9 1 1 A 41 41 VAL H H 39 9.130 9.274 -0.144 1
1 442 . 9 1 1 A 41 41 VAL HA H 39 4.926 4.875 0.051 1
1 450 . 9 1 1 A 41 41 VAL C C 39 175.492 174.542 0.950 1
1 451 . 9 1 1 A 41 41 VAL CA C 39 59.993 60.598 -0.605 1
1 452 . 9 1 1 A 41 41 VAL CB C 39 35.270 35.031 0.239 1
1 455 . 9 1 1 A 41 41 VAL N N 39 125.973 126.369 -0.396 1
1 456 . 9 1 1 A 42 42 ALA H H 40 9.558 9.109 0.449 1
1 457 . 9 1 1 A 42 42 ALA HA H 40 5.123 5.364 -0.241 1
1 461 . 9 1 1 A 42 42 ALA C C 40 175.931 175.709 0.222 1
1 462 . 9 1 1 A 42 42 ALA CA C 40 50.558 49.852 0.706 1
1 463 . 9 1 1 A 42 42 ALA CB C 40 22.072 22.548 -0.476 1
1 464 . 9 1 1 A 42 42 ALA N N 40 128.264 129.043 -0.779 1
1 465 . 9 1 1 A 43 43 ARG H H 41 7.707 8.696 -0.989 1
1 466 . 9 1 1 A 43 43 ARG HA H 41 4.966 4.787 0.179 1
1 473 . 9 1 1 A 43 43 ARG C C 41 175.477 175.133 0.344 1
1 474 . 9 1 1 A 43 43 ARG CA C 41 54.000 54.833 -0.833 1
1 475 . 9 1 1 A 43 43 ARG CB C 41 31.122 32.533 -1.411 1
1 478 . 9 1 1 A 43 43 ARG N N 41 121.647 122.525 -0.878 1
1 479 . 9 1 1 A 44 44 LEU H H 42 9.183 8.333 0.850 1
1 480 . 9 1 1 A 44 44 LEU HA H 42 5.009 4.707 0.302 1
1 490 . 9 1 1 A 44 44 LEU C C 42 177.848 177.004 0.844 1
1 491 . 9 1 1 A 44 44 LEU CA C 42 54.596 53.793 0.803 1
1 492 . 9 1 1 A 44 44 LEU CB C 42 41.806 42.799 -0.993 1
1 496 . 9 1 1 A 44 44 LEU N N 42 128.821 125.417 3.404 1
1 497 . 9 1 1 A 45 45 LYS H H 43 8.449 8.034 0.415 1
1 498 . 9 1 1 A 45 45 LYS N N 43 119.659 121.611 -1.952 1
1 499 . 9 1 1 A 48 48 ASN HA H 46 4.716 5.111 -0.395 1
1 504 . 9 1 1 A 48 48 ASN C C 46 175.155 173.379 1.776 1
1 505 . 9 1 1 A 48 48 ASN CA C 46 54.616 51.114 3.502 1
1 506 . 9 1 1 A 48 48 ASN CB C 46 39.292 40.594 -1.302 1
1 508 . 9 1 1 A 49 49 ARG H H 47 7.926 8.271 -0.345 1
1 509 . 9 1 1 A 49 49 ARG HA H 47 4.274 4.833 -0.559 1
1 516 . 9 1 1 A 49 49 ARG C C 47 175.433 174.181 1.252 1
1 517 . 9 1 1 A 49 49 ARG CA C 47 57.252 54.303 2.949 1
1 518 . 9 1 1 A 49 49 ARG CB C 47 32.128 33.772 -1.644 1
1 521 . 9 1 1 A 49 49 ARG N N 47 120.086 119.675 0.411 1
1 522 . 9 1 1 A 50 50 GLN H H 48 8.542 8.629 -0.087 1
1 523 . 9 1 1 A 50 50 GLN HA H 48 5.478 4.989 0.489 1
1 528 . 9 1 1 A 50 50 GLN C C 48 175.697 175.515 0.182 1
1 529 . 9 1 1 A 50 50 GLN CA C 48 55.077 55.016 0.061 1
1 530 . 9 1 1 A 50 50 GLN CB C 48 31.751 30.187 1.564 1
1 532 . 9 1 1 A 50 50 GLN N N 48 120.774 121.139 -0.365 1
1 533 . 9 1 1 A 51 51 VAL H H 49 8.710 8.978 -0.268 1
1 534 . 9 1 1 A 51 51 VAL HA H 49 4.781 4.846 -0.065 1
1 542 . 9 1 1 A 51 51 VAL C C 49 175.185 173.861 1.324 1
1 543 . 9 1 1 A 51 51 VAL CA C 49 59.344 58.926 0.418 1
1 544 . 9 1 1 A 51 51 VAL CB C 49 36.024 35.631 0.393 1
1 547 . 9 1 1 A 51 51 VAL N N 49 117.392 118.624 -1.232 1
1 548 . 9 1 1 A 52 52 CYS H H 50 9.184 8.612 0.572 1
1 549 . 9 1 1 A 52 52 CYS HA H 50 5.313 5.446 -0.133 1
1 552 . 9 1 1 A 52 52 CYS C C 50 174.380 173.368 1.012 1
1 553 . 9 1 1 A 52 52 CYS CA C 50 57.984 54.444 3.540 1
1 554 . 9 1 1 A 52 52 CYS CB C 50 42.661 43.664 -1.003 1
1 555 . 9 1 1 A 52 52 CYS N N 50 124.238 119.852 4.386 1
1 556 . 9 1 1 A 53 53 ILE H H 51 8.434 9.015 -0.581 1
1 557 . 9 1 1 A 53 53 ILE HA H 51 4.928 5.328 -0.400 1
1 567 . 9 1 1 A 53 53 ILE C C 51 172.931 173.476 -0.545 1
1 568 . 9 1 1 A 53 53 ILE CA C 51 58.675 59.059 -0.384 1
1 569 . 9 1 1 A 53 53 ILE CB C 51 42.309 41.918 0.391 1
1 573 . 9 1 1 A 53 53 ILE N N 51 122.034 119.623 2.411 1
1 574 . 9 1 1 A 54 54 ASP H H 52 7.702 8.611 -0.909 1
1 575 . 9 1 1 A 54 54 ASP HA H 52 3.426 4.928 -1.502 1
1 578 . 9 1 1 A 54 54 ASP CA C 52 51.251 50.397 0.854 1
1 579 . 9 1 1 A 54 54 ASP CB C 52 42.515 43.490 -0.975 1
1 580 . 9 1 1 A 54 54 ASP N N 52 125.815 122.049 3.766 1
1 581 . 9 1 1 A 55 55 PRO HA H 53 3.986 4.136 -0.150 1
1 588 . 9 1 1 A 55 55 PRO C C 53 176.034 177.759 -1.725 1
1 589 . 9 1 1 A 55 55 PRO CA C 53 63.947 64.185 -0.238 1
1 590 . 9 1 1 A 55 55 PRO CB C 53 33.000 31.812 1.188 1
1 593 . 9 1 1 A 56 56 LYS H H 54 7.889 8.747 -0.858 1
1 594 . 9 1 1 A 56 56 LYS HA H 54 3.993 4.006 -0.013 1
1 603 . 9 1 1 A 56 56 LYS C C 54 177.922 176.710 1.212 1
1 604 . 9 1 1 A 56 56 LYS CA C 54 56.729 58.050 -1.321 1
1 605 . 9 1 1 A 56 56 LYS CB C 54 31.751 32.001 -0.250 1
1 609 . 9 1 1 A 56 56 LYS N N 54 112.456 117.294 -4.838 1
1 610 . 9 1 1 A 57 57 LEU H H 55 7.157 7.178 -0.021 1
1 611 . 9 1 1 A 57 57 LEU HA H 55 4.040 4.165 -0.125 1
1 621 . 9 1 1 A 57 57 LEU C C 55 179.268 177.051 2.217 1
1 622 . 9 1 1 A 57 57 LEU CA C 55 55.997 54.932 1.065 1
1 623 . 9 1 1 A 57 57 LEU CB C 55 42.309 41.065 1.244 1
1 627 . 9 1 1 A 57 57 LEU N N 55 120.452 120.900 -0.448 1
1 628 . 9 1 1 A 58 58 LYS H H 56 8.731 8.842 -0.111 1
1 629 . 9 1 1 A 58 58 LYS HA H 56 3.913 3.860 0.053 1
1 638 . 9 1 1 A 58 58 LYS C C 56 178.917 178.356 0.561 1
1 639 . 9 1 1 A 58 58 LYS CA C 56 60.202 59.166 1.036 1
1 640 . 9 1 1 A 58 58 LYS CB C 56 32.253 32.237 0.016 1
1 644 . 9 1 1 A 58 58 LYS N N 56 125.307 125.361 -0.054 1
1 645 . 9 1 1 A 59 59 TRP H H 57 7.884 8.245 -0.361 1
1 646 . 9 1 1 A 59 59 TRP HA H 57 4.637 4.627 0.010 1
1 654 . 9 1 1 A 59 59 TRP C C 57 178.829 179.512 -0.683 1
1 655 . 9 1 1 A 59 59 TRP CA C 57 58.779 59.948 -1.169 1
1 656 . 9 1 1 A 59 59 TRP CB C 57 27.854 28.068 -0.214 1
1 662 . 9 1 1 A 59 59 TRP N N 57 113.503 119.345 -5.842 1
1 663 . 9 1 1 A 60 60 ILE H H 58 6.449 7.466 -1.017 1
1 664 . 9 1 1 A 60 60 ILE HA H 58 3.284 3.220 0.064 1
1 674 . 9 1 1 A 60 60 ILE C C 58 177.687 177.800 -0.113 1
1 675 . 9 1 1 A 60 60 ILE CA C 58 64.177 64.987 -0.810 1
1 676 . 9 1 1 A 60 60 ILE CB C 58 35.710 37.448 -1.738 1
1 680 . 9 1 1 A 60 60 ILE N N 58 124.379 122.418 1.961 1
1 681 . 9 1 1 A 61 61 GLN H H 59 7.646 7.625 0.021 1
1 682 . 9 1 1 A 61 61 GLN HA H 59 3.738 3.991 -0.253 1
1 689 . 9 1 1 A 61 61 GLN C C 59 178.361 178.923 -0.562 1
1 690 . 9 1 1 A 61 61 GLN CA C 59 59.302 59.019 0.283 1
1 691 . 9 1 1 A 61 61 GLN CB C 59 28.357 27.938 0.419 1
1 693 . 9 1 1 A 61 61 GLN N N 59 118.966 118.339 0.627 1
1 695 . 9 1 1 A 62 62 GLU H H 60 8.075 7.882 0.193 1
1 696 . 9 1 1 A 62 62 GLU HA H 60 4.076 4.118 -0.042 1
1 701 . 9 1 1 A 62 62 GLU C C 60 179.019 178.493 0.526 1
1 702 . 9 1 1 A 62 62 GLU CA C 60 59.637 58.875 0.762 1
1 703 . 9 1 1 A 62 62 GLU CB C 60 30.368 29.661 0.707 1
1 705 . 9 1 1 A 62 62 GLU N N 60 117.105 120.942 -3.837 1
1 706 . 9 1 1 A 63 63 TYR H H 61 7.922 8.070 -0.148 1
1 707 . 9 1 1 A 63 63 TYR HA H 61 4.237 4.334 -0.097 1
1 714 . 9 1 1 A 63 63 TYR C C 61 178.551 177.891 0.660 1
1 715 . 9 1 1 A 63 63 TYR CA C 61 61.206 61.543 -0.337 1
1 716 . 9 1 1 A 63 63 TYR CB C 61 39.669 38.929 0.740 1
1 719 . 9 1 1 A 63 63 TYR N N 61 121.402 122.876 -1.474 1
1 720 . 9 1 1 A 64 64 LEU H H 62 8.227 7.863 0.364 1
1 721 . 9 1 1 A 64 64 LEU HA H 62 3.957 4.179 -0.222 1
1 731 . 9 1 1 A 64 64 LEU C C 62 179.458 179.006 0.452 1
1 732 . 9 1 1 A 64 64 LEU CA C 62 57.880 58.168 -0.288 1
1 733 . 9 1 1 A 64 64 LEU CB C 62 42.434 41.170 1.264 1
1 737 . 9 1 1 A 64 64 LEU N N 62 116.209 119.403 -3.194 1
1 738 . 9 1 1 A 65 65 GLU H H 63 8.472 8.511 -0.039 1
1 739 . 9 1 1 A 65 65 GLU HA H 63 3.827 4.010 -0.183 1
1 744 . 9 1 1 A 65 65 GLU C C 63 179.166 178.854 0.312 1
1 745 . 9 1 1 A 65 65 GLU CA C 63 60.265 59.654 0.611 1
1 746 . 9 1 1 A 65 65 GLU CB C 63 29.739 29.247 0.492 1
1 748 . 9 1 1 A 65 65 GLU N N 63 118.559 119.193 -0.634 1
1 749 . 9 1 1 A 66 66 LYS H H 64 7.554 7.814 -0.260 1
1 750 . 9 1 1 A 66 66 LYS HA H 64 4.215 4.227 -0.012 1
1 759 . 9 1 1 A 66 66 LYS C C 64 178.302 177.444 0.858 1
1 760 . 9 1 1 A 66 66 LYS CA C 64 58.481 57.957 0.524 1
1 761 . 9 1 1 A 66 66 LYS CB C 64 32.505 32.358 0.147 1
1 765 . 9 1 1 A 66 66 LYS N N 64 117.056 118.187 -1.131 1
1 766 . 9 1 1 A 67 67 CYS H H 65 7.918 7.916 0.002 1
1 767 . 9 1 1 A 67 67 CYS HA H 65 4.532 4.615 -0.083 1
1 770 . 9 1 1 A 67 67 CYS C C 65 174.775 174.886 -0.111 1
1 771 . 9 1 1 A 67 67 CYS CA C 65 56.102 59.204 -3.102 1
1 772 . 9 1 1 A 67 67 CYS CB C 65 45.325 28.700 16.625 1
1 773 . 9 1 1 A 67 67 CYS N N 65 115.236 116.657 -1.421 1
1 774 . 9 1 1 A 68 68 LEU H H 66 7.558 7.176 0.382 1
1 775 . 9 1 1 A 68 68 LEU HA H 66 4.520 4.375 0.145 1
1 785 . 9 1 1 A 68 68 LEU C C 66 176.765 177.155 -0.390 1
1 786 . 9 1 1 A 68 68 LEU CA C 66 55.202 54.894 0.308 1
1 787 . 9 1 1 A 68 68 LEU CB C 66 43.314 41.805 1.509 1
1 791 . 9 1 1 A 68 68 LEU N N 66 121.130 122.526 -1.396 1
1 792 . 9 1 1 A 69 69 ASN H H 67 8.306 9.001 -0.695 1
1 793 . 9 1 1 A 69 69 ASN HA H 67 4.639 4.408 0.231 1
1 798 . 9 1 1 A 69 69 ASN C C 67 174.189 173.909 0.280 1
1 799 . 9 1 1 A 69 69 ASN CA C 67 53.654 54.772 -1.118 1
1 800 . 9 1 1 A 69 69 ASN CB C 67 38.978 37.089 1.889 1
1 801 . 9 1 1 A 69 69 ASN N N 67 120.313 119.879 0.434 1
1 3 . 10 1 1 A 4 4 PRO HA H 2 4.490 4.784 -0.294 1
1 10 . 10 1 1 A 4 4 PRO C C 2 177.102 176.063 1.039 1
1 11 . 10 1 1 A 4 4 PRO CA C 2 63.319 62.645 0.674 1
1 12 . 10 1 1 A 4 4 PRO CB C 2 32.575 31.146 1.429 1
1 15 . 10 1 1 A 5 5 VAL H H 3 8.259 8.059 0.200 1
1 16 . 10 1 1 A 5 5 VAL HA H 3 4.117 5.144 -1.027 1
1 24 . 10 1 1 A 5 5 VAL C C 3 176.385 174.610 1.775 1
1 25 . 10 1 1 A 5 5 VAL CA C 3 62.629 59.314 3.315 1
1 26 . 10 1 1 A 5 5 VAL CB C 3 33.146 35.950 -2.804 1
1 29 . 10 1 1 A 5 5 VAL N N 3 120.806 117.700 3.106 1
1 30 . 10 1 1 A 6 6 SER H H 4 8.345 8.741 -0.396 1
1 31 . 10 1 1 A 6 6 SER HA H 4 4.479 5.015 -0.536 1
1 34 . 10 1 1 A 6 6 SER C C 4 174.687 173.773 0.914 1
1 35 . 10 1 1 A 6 6 SER CA C 4 58.340 57.290 1.050 1
1 36 . 10 1 1 A 6 6 SER CB C 4 64.208 67.036 -2.828 1
1 37 . 10 1 1 A 6 6 SER N N 4 119.332 117.140 2.192 1
1 38 . 10 1 1 A 7 7 LEU H H 5 8.334 8.682 -0.348 1
1 39 . 10 1 1 A 7 7 LEU HA H 5 4.384 4.312 0.072 1
1 45 . 10 1 1 A 7 7 LEU C C 5 177.424 176.675 0.749 1
1 46 . 10 1 1 A 7 7 LEU CA C 5 55.495 56.539 -1.044 1
1 47 . 10 1 1 A 7 7 LEU CB C 5 42.786 42.116 0.670 1
1 49 . 10 1 1 A 7 7 LEU N N 5 124.942 124.203 0.739 1
1 50 . 10 1 1 A 8 8 SER H H 6 8.198 8.008 0.190 1
1 51 . 10 1 1 A 8 8 SER HA H 6 4.407 4.724 -0.317 1
1 54 . 10 1 1 A 8 8 SER C C 6 174.306 173.830 0.476 1
1 55 . 10 1 1 A 8 8 SER CA C 6 58.696 57.096 1.600 1
1 56 . 10 1 1 A 8 8 SER CB C 6 64.136 67.042 -2.906 1
1 57 . 10 1 1 A 8 8 SER N N 6 116.070 110.503 5.567 1
1 58 . 10 1 1 A 9 9 TYR H H 7 8.005 8.442 -0.437 1
1 59 . 10 1 1 A 9 9 TYR HA H 7 4.547 4.201 0.346 1
1 66 . 10 1 1 A 9 9 TYR C C 7 175.507 175.019 0.488 1
1 67 . 10 1 1 A 9 9 TYR CA C 7 58.236 62.083 -3.847 1
1 68 . 10 1 1 A 9 9 TYR CB C 7 39.144 36.534 2.610 1
1 71 . 10 1 1 A 9 9 TYR N N 7 122.102 117.621 4.481 1
1 72 . 10 1 1 A 10 10 ARG H H 8 8.142 8.278 -0.136 1
1 73 . 10 1 1 A 10 10 ARG HA H 8 4.302 4.552 -0.250 1
1 80 . 10 1 1 A 10 10 ARG C C 8 175.946 175.201 0.745 1
1 81 . 10 1 1 A 10 10 ARG CA C 8 56.102 55.334 0.768 1
1 82 . 10 1 1 A 10 10 ARG CB C 8 31.004 31.505 -0.501 1
1 85 . 10 1 1 A 10 10 ARG N N 8 122.105 117.025 5.080 1
1 86 . 10 1 1 A 11 11 CYS H H 9 8.185 8.543 -0.358 1
1 87 . 10 1 1 A 11 11 CYS HA H 9 4.952 5.080 -0.128 1
1 90 . 10 1 1 A 11 11 CYS CA C 9 53.192 53.922 -0.730 1
1 91 . 10 1 1 A 11 11 CYS CB C 9 40.250 44.682 -4.432 1
1 92 . 10 1 1 A 11 11 CYS N N 9 121.511 119.723 1.788 1
1 93 . 10 1 1 A 12 12 PRO HA H 10 4.315 4.239 0.076 1
1 100 . 10 1 1 A 12 12 PRO C C 10 177.980 176.837 1.143 1
1 101 . 10 1 1 A 12 12 PRO CA C 10 65.345 64.998 0.347 1
1 102 . 10 1 1 A 12 12 PRO CB C 10 32.575 31.558 1.017 1
1 105 . 10 1 1 A 13 13 CYS H H 11 8.719 8.359 0.360 1
1 106 . 10 1 1 A 13 13 CYS N N 11 115.047 115.900 -0.853 1
1 107 . 10 1 1 A 14 14 ARG HA H 12 4.028 4.401 -0.373 1
1 114 . 10 1 1 A 14 14 ARG C C 12 175.097 176.154 -1.057 1
1 115 . 10 1 1 A 14 14 ARG CA C 12 57.503 56.924 0.579 1
1 116 . 10 1 1 A 14 14 ARG CB C 12 31.289 31.501 -0.212 1
1 119 . 10 1 1 A 15 15 PHE H H 13 7.607 7.840 -0.233 1
1 120 . 10 1 1 A 15 15 PHE HA H 13 4.497 5.340 -0.843 1
1 127 . 10 1 1 A 15 15 PHE C C 13 174.292 175.149 -0.857 1
1 128 . 10 1 1 A 15 15 PHE CA C 13 56.060 56.608 -0.548 1
1 129 . 10 1 1 A 15 15 PHE CB C 13 41.122 42.979 -1.857 1
1 132 . 10 1 1 A 15 15 PHE N N 13 116.487 115.129 1.358 1
1 133 . 10 1 1 A 16 16 PHE H H 14 8.202 8.958 -0.756 1
1 134 . 10 1 1 A 16 16 PHE HA H 14 4.793 5.800 -1.007 1
1 141 . 10 1 1 A 16 16 PHE C C 14 175.433 174.636 0.797 1
1 142 . 10 1 1 A 16 16 PHE CA C 14 55.516 55.237 0.279 1
1 143 . 10 1 1 A 16 16 PHE CB C 14 41.096 42.333 -1.237 1
1 146 . 10 1 1 A 16 16 PHE N N 14 119.591 117.957 1.634 1
1 147 . 10 1 1 A 17 17 GLU H H 15 8.749 9.830 -1.081 1
1 148 . 10 1 1 A 17 17 GLU HA H 15 4.579 4.367 0.212 1
1 153 . 10 1 1 A 17 17 GLU C C 15 176.809 177.621 -0.812 1
1 154 . 10 1 1 A 17 17 GLU CA C 15 56.395 56.547 -0.152 1
1 155 . 10 1 1 A 17 17 GLU CB C 15 30.932 30.227 0.705 1
1 157 . 10 1 1 A 17 17 GLU N N 15 122.719 120.617 2.102 1
1 158 . 10 1 1 A 18 18 SER H H 16 8.764 8.675 0.089 1
1 159 . 10 1 1 A 18 18 SER HA H 16 4.697 4.649 0.048 1
1 162 . 10 1 1 A 18 18 SER CA C 16 59.637 59.237 0.400 1
1 163 . 10 1 1 A 18 18 SER CB C 16 64.708 64.023 0.685 1
1 164 . 10 1 1 A 18 18 SER N N 16 118.765 117.359 1.406 1
1 165 . 10 1 1 A 19 19 HIS H H 17 8.617 7.742 0.875 1
1 166 . 10 1 1 A 19 19 HIS HA H 17 4.770 4.827 -0.057 1
1 171 . 10 1 1 A 19 19 HIS C C 17 174.658 174.293 0.365 1
1 172 . 10 1 1 A 19 19 HIS CA C 17 56.750 54.571 2.179 1
1 173 . 10 1 1 A 19 19 HIS CB C 17 29.718 29.150 0.568 1
1 176 . 10 1 1 A 19 19 HIS N N 17 119.651 122.535 -2.884 1
1 177 . 10 1 1 A 20 20 VAL H H 18 7.360 7.986 -0.626 1
1 178 . 10 1 1 A 20 20 VAL HA H 18 4.100 4.499 -0.399 1
1 186 . 10 1 1 A 20 20 VAL C C 18 174.424 173.038 1.386 1
1 187 . 10 1 1 A 20 20 VAL CA C 18 62.252 60.598 1.654 1
1 188 . 10 1 1 A 20 20 VAL CB C 18 34.146 35.340 -1.194 1
1 191 . 10 1 1 A 20 20 VAL N N 18 121.352 124.859 -3.507 1
1 192 . 10 1 1 A 21 21 ALA H H 19 8.570 8.419 0.151 1
1 193 . 10 1 1 A 21 21 ALA HA H 19 4.345 4.844 -0.499 1
1 197 . 10 1 1 A 21 21 ALA C C 19 177.570 177.611 -0.041 1
1 198 . 10 1 1 A 21 21 ALA CA C 19 50.997 50.715 0.282 1
1 199 . 10 1 1 A 21 21 ALA CB C 19 19.579 22.190 -2.611 1
1 200 . 10 1 1 A 21 21 ALA N N 19 131.401 129.385 2.016 1
1 201 . 10 1 1 A 22 22 ARG H H 20 7.838 8.056 -0.218 1
1 202 . 10 1 1 A 22 22 ARG HA H 20 2.545 2.839 -0.294 1
1 209 . 10 1 1 A 22 22 ARG C C 20 178.258 177.233 1.025 1
1 210 . 10 1 1 A 22 22 ARG CA C 20 59.407 58.617 0.790 1
1 211 . 10 1 1 A 22 22 ARG CB C 20 29.433 29.120 0.313 1
1 214 . 10 1 1 A 22 22 ARG N N 20 124.465 121.110 3.355 1
1 215 . 10 1 1 A 23 23 ALA H H 21 8.203 7.478 0.725 1
1 216 . 10 1 1 A 23 23 ALA HA H 21 4.069 4.089 -0.020 1
1 220 . 10 1 1 A 23 23 ALA C C 21 177.995 178.566 -0.571 1
1 221 . 10 1 1 A 23 23 ALA CA C 21 54.000 53.608 0.392 1
1 222 . 10 1 1 A 23 23 ALA CB C 21 18.722 18.248 0.474 1
1 223 . 10 1 1 A 23 23 ALA N N 21 117.242 120.497 -3.255 1
1 224 . 10 1 1 A 24 24 ASN H H 22 7.739 7.978 -0.239 1
1 225 . 10 1 1 A 24 24 ASN HA H 22 4.988 4.745 0.243 1
1 230 . 10 1 1 A 24 24 ASN C C 22 174.848 175.478 -0.630 1
1 231 . 10 1 1 A 24 24 ASN CA C 22 52.509 53.875 -1.366 1
1 232 . 10 1 1 A 24 24 ASN CB C 22 40.358 39.378 0.980 1
1 233 . 10 1 1 A 24 24 ASN N N 22 112.861 115.893 -3.032 1
1 235 . 10 1 1 A 25 25 VAL H H 23 7.524 7.224 0.300 1
1 236 . 10 1 1 A 25 25 VAL HA H 23 4.272 3.979 0.293 1
1 244 . 10 1 1 A 25 25 VAL C C 23 175.755 175.462 0.293 1
1 245 . 10 1 1 A 25 25 VAL CA C 23 62.859 63.506 -0.647 1
1 246 . 10 1 1 A 25 25 VAL CB C 23 33.432 31.932 1.500 1
1 249 . 10 1 1 A 25 25 VAL N N 23 119.883 119.588 0.295 1
1 250 . 10 1 1 A 26 26 LYS H H 24 9.527 9.466 0.061 1
1 251 . 10 1 1 A 26 26 LYS HA H 24 4.298 4.328 -0.030 1
1 260 . 10 1 1 A 26 26 LYS C C 24 176.634 176.625 0.009 1
1 261 . 10 1 1 A 26 26 LYS CA C 24 58.989 57.859 1.130 1
1 262 . 10 1 1 A 26 26 LYS CB C 24 34.390 33.059 1.331 1
1 266 . 10 1 1 A 26 26 LYS N N 24 128.312 127.155 1.157 1
1 267 . 10 1 1 A 27 27 HIS H H 25 7.214 7.506 -0.292 1
1 268 . 10 1 1 A 27 27 HIS HA H 25 4.965 5.013 -0.048 1
1 273 . 10 1 1 A 27 27 HIS C C 25 172.740 172.704 0.036 1
1 274 . 10 1 1 A 27 27 HIS CA C 25 55.328 54.756 0.572 1
1 275 . 10 1 1 A 27 27 HIS CB C 25 32.882 31.186 1.696 1
1 278 . 10 1 1 A 27 27 HIS N N 25 109.505 113.727 -4.222 1
1 279 . 10 1 1 A 28 28 LEU H H 26 8.066 8.762 -0.696 1
1 280 . 10 1 1 A 28 28 LEU HA H 26 5.156 5.558 -0.402 1
1 290 . 10 1 1 A 28 28 LEU C C 26 175.346 175.459 -0.113 1
1 291 . 10 1 1 A 28 28 LEU CA C 26 53.466 53.320 0.146 1
1 292 . 10 1 1 A 28 28 LEU CB C 26 45.200 45.330 -0.130 1
1 296 . 10 1 1 A 28 28 LEU N N 26 116.963 120.019 -3.056 1
1 297 . 10 1 1 A 29 29 LYS H H 27 9.549 8.984 0.565 1
1 298 . 10 1 1 A 29 29 LYS HA H 27 5.353 5.145 0.208 1
1 307 . 10 1 1 A 29 29 LYS C C 27 174.716 174.384 0.332 1
1 308 . 10 1 1 A 29 29 LYS CA C 27 55.118 54.895 0.223 1
1 309 . 10 1 1 A 29 29 LYS CB C 27 35.144 35.649 -0.505 1
1 313 . 10 1 1 A 29 29 LYS N N 27 123.299 122.682 0.617 1
1 314 . 10 1 1 A 30 30 ILE H H 28 9.140 8.963 0.177 1
1 315 . 10 1 1 A 30 30 ILE HA H 28 4.910 5.069 -0.159 1
1 325 . 10 1 1 A 30 30 ILE C C 28 176.970 174.737 2.233 1
1 326 . 10 1 1 A 30 30 ILE CA C 28 60.390 59.554 0.836 1
1 327 . 10 1 1 A 30 30 ILE CB C 28 39.603 38.456 1.147 1
1 331 . 10 1 1 A 30 30 ILE N N 28 123.823 127.851 -4.028 1
1 332 . 10 1 1 A 31 31 LEU H H 29 8.866 9.295 -0.429 1
1 333 . 10 1 1 A 31 31 LEU HA H 29 4.580 4.723 -0.143 1
1 342 . 10 1 1 A 31 31 LEU C C 29 175.975 176.008 -0.033 1
1 343 . 10 1 1 A 31 31 LEU CA C 29 55.474 53.769 1.705 1
1 344 . 10 1 1 A 31 31 LEU CB C 29 42.749 43.061 -0.312 1
1 347 . 10 1 1 A 31 31 LEU N N 29 128.835 129.014 -0.179 1
1 348 . 10 1 1 A 32 32 ASN H H 30 8.211 8.718 -0.507 1
1 349 . 10 1 1 A 32 32 ASN HA H 30 4.998 4.917 0.081 1
1 354 . 10 1 1 A 32 32 ASN C C 30 174.658 174.651 0.007 1
1 355 . 10 1 1 A 32 32 ASN CA C 30 52.524 52.405 0.119 1
1 356 . 10 1 1 A 32 32 ASN CB C 30 38.978 39.013 -0.035 1
1 357 . 10 1 1 A 32 32 ASN N N 30 120.696 122.626 -1.930 1
1 359 . 10 1 1 A 33 33 THR H H 31 7.925 8.184 -0.259 1
1 360 . 10 1 1 A 33 33 THR HA H 31 4.784 5.039 -0.255 1
1 365 . 10 1 1 A 33 33 THR CA C 31 58.046 58.290 -0.244 1
1 366 . 10 1 1 A 33 33 THR CB C 31 70.341 70.838 -0.497 1
1 368 . 10 1 1 A 33 33 THR N N 31 116.303 116.907 -0.604 1
1 369 . 10 1 1 A 34 34 PRO HA H 32 4.300 4.488 -0.188 1
1 376 . 10 1 1 A 34 34 PRO C C 32 176.765 176.902 -0.137 1
1 377 . 10 1 1 A 34 34 PRO CA C 32 65.164 64.470 0.694 1
1 378 . 10 1 1 A 34 34 PRO CB C 32 32.484 32.005 0.479 1
1 381 . 10 1 1 A 35 35 ASN H H 33 8.294 8.179 0.115 1
1 382 . 10 1 1 A 35 35 ASN C C 33 174.541 174.208 0.333 1
1 383 . 10 1 1 A 35 35 ASN N N 33 120.212 114.780 5.432 1
1 384 . 10 1 1 A 36 36 CYS H H 34 7.561 7.546 0.015 1
1 385 . 10 1 1 A 36 36 CYS HA H 34 4.884 4.949 -0.065 1
1 388 . 10 1 1 A 36 36 CYS C C 34 173.838 173.669 0.169 1
1 389 . 10 1 1 A 36 36 CYS CA C 34 55.139 54.647 0.492 1
1 390 . 10 1 1 A 36 36 CYS CB C 34 45.200 46.388 -1.188 1
1 391 . 10 1 1 A 36 36 CYS N N 34 116.986 117.607 -0.621 1
1 392 . 10 1 1 A 37 37 ALA H H 35 8.520 8.586 -0.066 1
1 393 . 10 1 1 A 37 37 ALA HA H 35 4.233 4.150 0.083 1
1 397 . 10 1 1 A 37 37 ALA C C 35 176.326 177.042 -0.716 1
1 398 . 10 1 1 A 37 37 ALA CA C 35 53.152 55.145 -1.993 1
1 399 . 10 1 1 A 37 37 ALA CB C 35 18.930 19.161 -0.231 1
1 400 . 10 1 1 A 37 37 ALA N N 35 125.167 124.792 0.375 1
1 401 . 10 1 1 A 38 38 CYS H H 36 8.343 7.766 0.577 1
1 402 . 10 1 1 A 38 38 CYS HA H 36 4.213 4.708 -0.495 1
1 405 . 10 1 1 A 38 38 CYS C C 36 173.589 172.551 1.038 1
1 406 . 10 1 1 A 38 38 CYS CA C 36 58.487 58.036 0.451 1
1 407 . 10 1 1 A 38 38 CYS CB C 36 45.702 30.824 14.878 1
1 408 . 10 1 1 A 38 38 CYS N N 36 118.786 113.381 5.405 1
1 409 . 10 1 1 A 39 39 GLN H H 37 8.988 8.967 0.021 1
1 410 . 10 1 1 A 39 39 GLN HA H 37 4.573 4.886 -0.313 1
1 417 . 10 1 1 A 39 39 GLN C C 37 173.545 174.594 -1.049 1
1 418 . 10 1 1 A 39 39 GLN CA C 37 54.491 54.971 -0.480 1
1 419 . 10 1 1 A 39 39 GLN CB C 37 31.876 29.784 2.092 1
1 421 . 10 1 1 A 39 39 GLN N N 37 128.825 125.678 3.147 1
1 423 . 10 1 1 A 40 40 ILE H H 38 8.967 9.116 -0.149 1
1 424 . 10 1 1 A 40 40 ILE HA H 38 5.095 4.986 0.109 1
1 434 . 10 1 1 A 40 40 ILE C C 38 174.336 174.542 -0.206 1
1 435 . 10 1 1 A 40 40 ILE CA C 38 60.620 60.046 0.574 1
1 436 . 10 1 1 A 40 40 ILE CB C 38 40.235 40.260 -0.025 1
1 440 . 10 1 1 A 40 40 ILE N N 38 124.006 125.121 -1.115 1
1 441 . 10 1 1 A 41 41 VAL H H 39 9.130 9.323 -0.193 1
1 442 . 10 1 1 A 41 41 VAL HA H 39 4.926 4.901 0.025 1
1 450 . 10 1 1 A 41 41 VAL C C 39 175.492 174.507 0.985 1
1 451 . 10 1 1 A 41 41 VAL CA C 39 59.993 61.099 -1.106 1
1 452 . 10 1 1 A 41 41 VAL CB C 39 35.270 34.126 1.144 1
1 455 . 10 1 1 A 41 41 VAL N N 39 125.973 128.572 -2.599 1
1 456 . 10 1 1 A 42 42 ALA H H 40 9.558 9.280 0.278 1
1 457 . 10 1 1 A 42 42 ALA HA H 40 5.123 5.368 -0.245 1
1 461 . 10 1 1 A 42 42 ALA C C 40 175.931 175.249 0.682 1
1 462 . 10 1 1 A 42 42 ALA CA C 40 50.558 50.048 0.510 1
1 463 . 10 1 1 A 42 42 ALA CB C 40 22.072 21.359 0.713 1
1 464 . 10 1 1 A 42 42 ALA N N 40 128.264 129.178 -0.914 1
1 465 . 10 1 1 A 43 43 ARG H H 41 7.707 8.684 -0.977 1
1 466 . 10 1 1 A 43 43 ARG HA H 41 4.966 4.778 0.188 1
1 473 . 10 1 1 A 43 43 ARG C C 41 175.477 175.011 0.466 1
1 474 . 10 1 1 A 43 43 ARG CA C 41 54.000 54.636 -0.636 1
1 475 . 10 1 1 A 43 43 ARG CB C 41 31.122 31.860 -0.738 1
1 478 . 10 1 1 A 43 43 ARG N N 41 121.647 123.291 -1.644 1
1 479 . 10 1 1 A 44 44 LEU H H 42 9.183 8.953 0.230 1
1 480 . 10 1 1 A 44 44 LEU HA H 42 5.009 5.160 -0.151 1
1 490 . 10 1 1 A 44 44 LEU C C 42 177.848 176.314 1.534 1
1 491 . 10 1 1 A 44 44 LEU CA C 42 54.596 53.670 0.926 1
1 492 . 10 1 1 A 44 44 LEU CB C 42 41.806 43.403 -1.597 1
1 496 . 10 1 1 A 44 44 LEU N N 42 128.821 128.319 0.502 1
1 497 . 10 1 1 A 45 45 LYS H H 43 8.449 8.112 0.337 1
1 498 . 10 1 1 A 45 45 LYS N N 43 119.659 119.832 -0.173 1
1 499 . 10 1 1 A 48 48 ASN HA H 46 4.716 5.152 -0.436 1
1 504 . 10 1 1 A 48 48 ASN C C 46 175.155 174.858 0.297 1
1 505 . 10 1 1 A 48 48 ASN CA C 46 54.616 51.580 3.036 1
1 506 . 10 1 1 A 48 48 ASN CB C 46 39.292 42.255 -2.963 1
1 508 . 10 1 1 A 49 49 ARG H H 47 7.926 8.248 -0.322 1
1 509 . 10 1 1 A 49 49 ARG HA H 47 4.274 4.555 -0.281 1
1 516 . 10 1 1 A 49 49 ARG C C 47 175.433 175.203 0.230 1
1 517 . 10 1 1 A 49 49 ARG CA C 47 57.252 54.442 2.810 1
1 518 . 10 1 1 A 49 49 ARG CB C 47 32.128 30.671 1.457 1
1 521 . 10 1 1 A 49 49 ARG N N 47 120.086 121.622 -1.536 1
1 522 . 10 1 1 A 50 50 GLN H H 48 8.542 8.456 0.086 1
1 523 . 10 1 1 A 50 50 GLN HA H 48 5.478 4.957 0.521 1
1 528 . 10 1 1 A 50 50 GLN C C 48 175.697 175.590 0.107 1
1 529 . 10 1 1 A 50 50 GLN CA C 48 55.077 55.053 0.024 1
1 530 . 10 1 1 A 50 50 GLN CB C 48 31.751 30.115 1.636 1
1 532 . 10 1 1 A 50 50 GLN N N 48 120.774 119.730 1.044 1
1 533 . 10 1 1 A 51 51 VAL H H 49 8.710 9.162 -0.452 1
1 534 . 10 1 1 A 51 51 VAL HA H 49 4.781 4.854 -0.073 1
1 542 . 10 1 1 A 51 51 VAL C C 49 175.185 173.504 1.681 1
1 543 . 10 1 1 A 51 51 VAL CA C 49 59.344 58.986 0.358 1
1 544 . 10 1 1 A 51 51 VAL CB C 49 36.024 35.651 0.373 1
1 547 . 10 1 1 A 51 51 VAL N N 49 117.392 118.647 -1.255 1
1 548 . 10 1 1 A 52 52 CYS H H 50 9.184 8.931 0.253 1
1 549 . 10 1 1 A 52 52 CYS HA H 50 5.313 5.382 -0.069 1
1 552 . 10 1 1 A 52 52 CYS C C 50 174.380 173.542 0.838 1
1 553 . 10 1 1 A 52 52 CYS CA C 50 57.984 54.218 3.766 1
1 554 . 10 1 1 A 52 52 CYS CB C 50 42.661 45.227 -2.566 1
1 555 . 10 1 1 A 52 52 CYS N N 50 124.238 120.777 3.461 1
1 556 . 10 1 1 A 53 53 ILE H H 51 8.434 9.369 -0.935 1
1 557 . 10 1 1 A 53 53 ILE HA H 51 4.928 5.303 -0.375 1
1 567 . 10 1 1 A 53 53 ILE C C 51 172.931 173.396 -0.465 1
1 568 . 10 1 1 A 53 53 ILE CA C 51 58.675 59.186 -0.511 1
1 569 . 10 1 1 A 53 53 ILE CB C 51 42.309 41.253 1.056 1
1 573 . 10 1 1 A 53 53 ILE N N 51 122.034 121.695 0.339 1
1 574 . 10 1 1 A 54 54 ASP H H 52 7.702 8.696 -0.994 1
1 575 . 10 1 1 A 54 54 ASP HA H 52 3.426 4.886 -1.460 1
1 578 . 10 1 1 A 54 54 ASP CA C 52 51.251 50.358 0.893 1
1 579 . 10 1 1 A 54 54 ASP CB C 52 42.515 41.811 0.704 1
1 580 . 10 1 1 A 54 54 ASP N N 52 125.815 122.908 2.907 1
1 581 . 10 1 1 A 55 55 PRO HA H 53 3.986 4.127 -0.141 1
1 588 . 10 1 1 A 55 55 PRO C C 53 176.034 177.926 -1.892 1
1 589 . 10 1 1 A 55 55 PRO CA C 53 63.947 64.564 -0.617 1
1 590 . 10 1 1 A 55 55 PRO CB C 53 33.000 31.913 1.087 1
1 593 . 10 1 1 A 56 56 LYS H H 54 7.889 8.398 -0.509 1
1 594 . 10 1 1 A 56 56 LYS HA H 54 3.993 4.175 -0.182 1
1 603 . 10 1 1 A 56 56 LYS C C 54 177.922 176.690 1.232 1
1 604 . 10 1 1 A 56 56 LYS CA C 54 56.729 57.053 -0.324 1
1 605 . 10 1 1 A 56 56 LYS CB C 54 31.751 32.475 -0.724 1
1 609 . 10 1 1 A 56 56 LYS N N 54 112.456 116.664 -4.208 1
1 610 . 10 1 1 A 57 57 LEU H H 55 7.157 7.131 0.026 1
1 611 . 10 1 1 A 57 57 LEU HA H 55 4.040 4.139 -0.099 1
1 621 . 10 1 1 A 57 57 LEU C C 55 179.268 177.376 1.892 1
1 622 . 10 1 1 A 57 57 LEU CA C 55 55.997 54.999 0.998 1
1 623 . 10 1 1 A 57 57 LEU CB C 55 42.309 41.456 0.853 1
1 627 . 10 1 1 A 57 57 LEU N N 55 120.452 121.625 -1.173 1
1 628 . 10 1 1 A 58 58 LYS H H 56 8.731 8.901 -0.170 1
1 629 . 10 1 1 A 58 58 LYS HA H 56 3.913 3.897 0.016 1
1 638 . 10 1 1 A 58 58 LYS C C 56 178.917 178.171 0.746 1
1 639 . 10 1 1 A 58 58 LYS CA C 56 60.202 59.571 0.631 1
1 640 . 10 1 1 A 58 58 LYS CB C 56 32.253 32.110 0.143 1
1 644 . 10 1 1 A 58 58 LYS N N 56 125.307 125.923 -0.616 1
1 645 . 10 1 1 A 59 59 TRP H H 57 7.884 8.241 -0.357 1
1 646 . 10 1 1 A 59 59 TRP HA H 57 4.637 4.507 0.130 1
1 654 . 10 1 1 A 59 59 TRP C C 57 178.829 179.481 -0.652 1
1 655 . 10 1 1 A 59 59 TRP CA C 57 58.779 59.941 -1.162 1
1 656 . 10 1 1 A 59 59 TRP CB C 57 27.854 28.048 -0.194 1
1 662 . 10 1 1 A 59 59 TRP N N 57 113.503 119.027 -5.524 1
1 663 . 10 1 1 A 60 60 ILE H H 58 6.449 7.289 -0.840 1
1 664 . 10 1 1 A 60 60 ILE HA H 58 3.284 3.178 0.106 1
1 674 . 10 1 1 A 60 60 ILE C C 58 177.687 177.762 -0.075 1
1 675 . 10 1 1 A 60 60 ILE CA C 58 64.177 64.873 -0.696 1
1 676 . 10 1 1 A 60 60 ILE CB C 58 35.710 37.403 -1.693 1
1 680 . 10 1 1 A 60 60 ILE N N 58 124.379 122.335 2.044 1
1 681 . 10 1 1 A 61 61 GLN H H 59 7.646 7.803 -0.157 1
1 682 . 10 1 1 A 61 61 GLN HA H 59 3.738 3.996 -0.258 1
1 689 . 10 1 1 A 61 61 GLN C C 59 178.361 178.996 -0.635 1
1 690 . 10 1 1 A 61 61 GLN CA C 59 59.302 59.061 0.241 1
1 691 . 10 1 1 A 61 61 GLN CB C 59 28.357 28.096 0.261 1
1 693 . 10 1 1 A 61 61 GLN N N 59 118.966 118.403 0.563 1
1 695 . 10 1 1 A 62 62 GLU H H 60 8.075 8.123 -0.048 1
1 696 . 10 1 1 A 62 62 GLU HA H 60 4.076 4.102 -0.026 1
1 701 . 10 1 1 A 62 62 GLU C C 60 179.019 178.416 0.603 1
1 702 . 10 1 1 A 62 62 GLU CA C 60 59.637 59.168 0.469 1
1 703 . 10 1 1 A 62 62 GLU CB C 60 30.368 29.610 0.758 1
1 705 . 10 1 1 A 62 62 GLU N N 60 117.105 121.716 -4.611 1
1 706 . 10 1 1 A 63 63 TYR H H 61 7.922 8.094 -0.172 1
1 707 . 10 1 1 A 63 63 TYR HA H 61 4.237 4.297 -0.060 1
1 714 . 10 1 1 A 63 63 TYR C C 61 178.551 177.818 0.733 1
1 715 . 10 1 1 A 63 63 TYR CA C 61 61.206 61.582 -0.376 1
1 716 . 10 1 1 A 63 63 TYR CB C 61 39.669 38.857 0.812 1
1 719 . 10 1 1 A 63 63 TYR N N 61 121.402 122.334 -0.932 1
1 720 . 10 1 1 A 64 64 LEU H H 62 8.227 7.947 0.280 1
1 721 . 10 1 1 A 64 64 LEU HA H 62 3.957 4.115 -0.158 1
1 731 . 10 1 1 A 64 64 LEU C C 62 179.458 179.007 0.451 1
1 732 . 10 1 1 A 64 64 LEU CA C 62 57.880 58.084 -0.204 1
1 733 . 10 1 1 A 64 64 LEU CB C 62 42.434 41.209 1.225 1
1 737 . 10 1 1 A 64 64 LEU N N 62 116.209 119.117 -2.908 1
1 738 . 10 1 1 A 65 65 GLU H H 63 8.472 8.492 -0.020 1
1 739 . 10 1 1 A 65 65 GLU HA H 63 3.827 4.057 -0.230 1
1 744 . 10 1 1 A 65 65 GLU C C 63 179.166 178.573 0.593 1
1 745 . 10 1 1 A 65 65 GLU CA C 63 60.265 59.611 0.654 1
1 746 . 10 1 1 A 65 65 GLU CB C 63 29.739 29.226 0.513 1
1 748 . 10 1 1 A 65 65 GLU N N 63 118.559 119.338 -0.779 1
1 749 . 10 1 1 A 66 66 LYS H H 64 7.554 7.832 -0.278 1
1 750 . 10 1 1 A 66 66 LYS HA H 64 4.215 4.238 -0.023 1
1 759 . 10 1 1 A 66 66 LYS C C 64 178.302 177.473 0.829 1
1 760 . 10 1 1 A 66 66 LYS CA C 64 58.481 57.885 0.596 1
1 761 . 10 1 1 A 66 66 LYS CB C 64 32.505 32.293 0.212 1
1 765 . 10 1 1 A 66 66 LYS N N 64 117.056 117.961 -0.905 1
1 766 . 10 1 1 A 67 67 CYS H H 65 7.918 7.868 0.050 1
1 767 . 10 1 1 A 67 67 CYS HA H 65 4.532 4.555 -0.023 1
1 770 . 10 1 1 A 67 67 CYS C C 65 174.775 174.985 -0.210 1
1 771 . 10 1 1 A 67 67 CYS CA C 65 56.102 60.271 -4.169 1
1 772 . 10 1 1 A 67 67 CYS CB C 65 45.325 28.904 16.421 1
1 773 . 10 1 1 A 67 67 CYS N N 65 115.236 116.558 -1.322 1
1 774 . 10 1 1 A 68 68 LEU H H 66 7.558 7.177 0.381 1
1 775 . 10 1 1 A 68 68 LEU HA H 66 4.520 4.281 0.239 1
1 785 . 10 1 1 A 68 68 LEU C C 66 176.765 177.229 -0.464 1
1 786 . 10 1 1 A 68 68 LEU CA C 66 55.202 55.971 -0.769 1
1 787 . 10 1 1 A 68 68 LEU CB C 66 43.314 41.642 1.672 1
1 791 . 10 1 1 A 68 68 LEU N N 66 121.130 121.821 -0.691 1
1 792 . 10 1 1 A 69 69 ASN H H 67 8.306 9.553 -1.247 1
1 793 . 10 1 1 A 69 69 ASN HA H 67 4.639 4.320 0.319 1
1 798 . 10 1 1 A 69 69 ASN C C 67 174.189 175.059 -0.870 1
1 799 . 10 1 1 A 69 69 ASN CA C 67 53.654 55.003 -1.349 1
1 800 . 10 1 1 A 69 69 ASN CB C 67 38.978 36.458 2.520 1
1 801 . 10 1 1 A 69 69 ASN N N 67 120.313 122.742 -2.429 1
1 3 . 11 1 1 A 4 4 PRO HA H 2 4.490 4.545 -0.055 1
1 10 . 11 1 1 A 4 4 PRO C C 2 177.102 176.935 0.167 1
1 11 . 11 1 1 A 4 4 PRO CA C 2 63.319 62.189 1.130 1
1 12 . 11 1 1 A 4 4 PRO CB C 2 32.575 33.317 -0.742 1
1 15 . 11 1 1 A 5 5 VAL H H 3 8.259 8.704 -0.445 1
1 16 . 11 1 1 A 5 5 VAL HA H 3 4.117 3.829 0.288 1
1 24 . 11 1 1 A 5 5 VAL C C 3 176.385 176.098 0.287 1
1 25 . 11 1 1 A 5 5 VAL CA C 3 62.629 64.756 -2.127 1
1 26 . 11 1 1 A 5 5 VAL CB C 3 33.146 32.097 1.049 1
1 29 . 11 1 1 A 5 5 VAL N N 3 120.806 119.409 1.397 1
1 30 . 11 1 1 A 6 6 SER H H 4 8.345 7.997 0.348 1
1 31 . 11 1 1 A 6 6 SER HA H 4 4.479 4.124 0.355 1
1 34 . 11 1 1 A 6 6 SER C C 4 174.687 173.067 1.620 1
1 35 . 11 1 1 A 6 6 SER CA C 4 58.340 58.699 -0.359 1
1 36 . 11 1 1 A 6 6 SER CB C 4 64.208 61.538 2.670 1
1 37 . 11 1 1 A 6 6 SER N N 4 119.332 114.095 5.237 1
1 38 . 11 1 1 A 7 7 LEU H H 5 8.334 7.930 0.404 1
1 39 . 11 1 1 A 7 7 LEU HA H 5 4.384 4.624 -0.240 1
1 45 . 11 1 1 A 7 7 LEU C C 5 177.424 175.780 1.644 1
1 46 . 11 1 1 A 7 7 LEU CA C 5 55.495 54.214 1.281 1
1 47 . 11 1 1 A 7 7 LEU CB C 5 42.786 42.532 0.254 1
1 49 . 11 1 1 A 7 7 LEU N N 5 124.942 122.197 2.745 1
1 50 . 11 1 1 A 8 8 SER H H 6 8.198 8.763 -0.565 1
1 51 . 11 1 1 A 8 8 SER HA H 6 4.407 4.691 -0.284 1
1 54 . 11 1 1 A 8 8 SER C C 6 174.306 174.821 -0.515 1
1 55 . 11 1 1 A 8 8 SER CA C 6 58.696 57.206 1.490 1
1 56 . 11 1 1 A 8 8 SER CB C 6 64.136 62.750 1.386 1
1 57 . 11 1 1 A 8 8 SER N N 6 116.070 120.670 -4.600 1
1 58 . 11 1 1 A 9 9 TYR H H 7 8.005 7.764 0.241 1
1 59 . 11 1 1 A 9 9 TYR HA H 7 4.547 4.017 0.530 1
1 66 . 11 1 1 A 9 9 TYR C C 7 175.507 174.866 0.641 1
1 67 . 11 1 1 A 9 9 TYR CA C 7 58.236 62.387 -4.151 1
1 68 . 11 1 1 A 9 9 TYR CB C 7 39.144 36.356 2.788 1
1 71 . 11 1 1 A 9 9 TYR N N 7 122.102 115.707 6.395 1
1 72 . 11 1 1 A 10 10 ARG H H 8 8.142 8.391 -0.249 1
1 73 . 11 1 1 A 10 10 ARG HA H 8 4.302 4.314 -0.012 1
1 80 . 11 1 1 A 10 10 ARG C C 8 175.946 175.801 0.145 1
1 81 . 11 1 1 A 10 10 ARG CA C 8 56.102 56.118 -0.016 1
1 82 . 11 1 1 A 10 10 ARG CB C 8 31.004 31.282 -0.278 1
1 85 . 11 1 1 A 10 10 ARG N N 8 122.105 120.768 1.337 1
1 86 . 11 1 1 A 11 11 CYS H H 9 8.185 8.709 -0.524 1
1 87 . 11 1 1 A 11 11 CYS HA H 9 4.952 5.044 -0.092 1
1 90 . 11 1 1 A 11 11 CYS CA C 9 53.192 54.720 -1.528 1
1 91 . 11 1 1 A 11 11 CYS CB C 9 40.250 43.247 -2.997 1
1 92 . 11 1 1 A 11 11 CYS N N 9 121.511 125.331 -3.820 1
1 93 . 11 1 1 A 12 12 PRO HA H 10 4.315 4.288 0.027 1
1 100 . 11 1 1 A 12 12 PRO C C 10 177.980 176.955 1.025 1
1 101 . 11 1 1 A 12 12 PRO CA C 10 65.345 65.583 -0.238 1
1 102 . 11 1 1 A 12 12 PRO CB C 10 32.575 31.528 1.047 1
1 105 . 11 1 1 A 13 13 CYS H H 11 8.719 8.343 0.376 1
1 106 . 11 1 1 A 13 13 CYS N N 11 115.047 115.545 -0.498 1
1 107 . 11 1 1 A 14 14 ARG HA H 12 4.028 4.488 -0.460 1
1 114 . 11 1 1 A 14 14 ARG C C 12 175.097 176.077 -0.980 1
1 115 . 11 1 1 A 14 14 ARG CA C 12 57.503 57.076 0.427 1
1 116 . 11 1 1 A 14 14 ARG CB C 12 31.289 31.873 -0.584 1
1 119 . 11 1 1 A 15 15 PHE H H 13 7.607 8.022 -0.415 1
1 120 . 11 1 1 A 15 15 PHE HA H 13 4.497 5.020 -0.523 1
1 127 . 11 1 1 A 15 15 PHE C C 13 174.292 175.419 -1.127 1
1 128 . 11 1 1 A 15 15 PHE CA C 13 56.060 56.783 -0.723 1
1 129 . 11 1 1 A 15 15 PHE CB C 13 41.122 41.509 -0.387 1
1 132 . 11 1 1 A 15 15 PHE N N 13 116.487 116.067 0.420 1
1 133 . 11 1 1 A 16 16 PHE H H 14 8.202 9.050 -0.848 1
1 134 . 11 1 1 A 16 16 PHE HA H 14 4.793 5.770 -0.977 1
1 141 . 11 1 1 A 16 16 PHE C C 14 175.433 172.946 2.487 1
1 142 . 11 1 1 A 16 16 PHE CA C 14 55.516 55.129 0.387 1
1 143 . 11 1 1 A 16 16 PHE CB C 14 41.096 42.477 -1.381 1
1 146 . 11 1 1 A 16 16 PHE N N 14 119.591 117.591 2.000 1
1 147 . 11 1 1 A 17 17 GLU H H 15 8.749 9.308 -0.559 1
1 148 . 11 1 1 A 17 17 GLU HA H 15 4.579 4.201 0.378 1
1 153 . 11 1 1 A 17 17 GLU C C 15 176.809 177.720 -0.911 1
1 154 . 11 1 1 A 17 17 GLU CA C 15 56.395 56.607 -0.212 1
1 155 . 11 1 1 A 17 17 GLU CB C 15 30.932 31.112 -0.180 1
1 157 . 11 1 1 A 17 17 GLU N N 15 122.719 122.383 0.336 1
1 158 . 11 1 1 A 18 18 SER H H 16 8.764 8.432 0.332 1
1 159 . 11 1 1 A 18 18 SER HA H 16 4.697 3.895 0.802 1
1 162 . 11 1 1 A 18 18 SER CA C 16 59.637 62.213 -2.576 1
1 163 . 11 1 1 A 18 18 SER CB C 16 64.708 63.087 1.621 1
1 164 . 11 1 1 A 18 18 SER N N 16 118.765 121.248 -2.483 1
1 165 . 11 1 1 A 19 19 HIS H H 17 8.617 7.725 0.892 1
1 166 . 11 1 1 A 19 19 HIS HA H 17 4.770 5.443 -0.673 1
1 171 . 11 1 1 A 19 19 HIS C C 17 174.658 173.566 1.092 1
1 172 . 11 1 1 A 19 19 HIS CA C 17 56.750 54.873 1.877 1
1 173 . 11 1 1 A 19 19 HIS CB C 17 29.718 34.004 -4.286 1
1 176 . 11 1 1 A 19 19 HIS N N 17 119.651 114.606 5.045 1
1 177 . 11 1 1 A 20 20 VAL H H 18 7.360 8.929 -1.569 1
1 178 . 11 1 1 A 20 20 VAL HA H 18 4.100 4.591 -0.491 1
1 186 . 11 1 1 A 20 20 VAL C C 18 174.424 173.698 0.726 1
1 187 . 11 1 1 A 20 20 VAL CA C 18 62.252 60.976 1.276 1
1 188 . 11 1 1 A 20 20 VAL CB C 18 34.146 35.169 -1.023 1
1 191 . 11 1 1 A 20 20 VAL N N 18 121.352 118.981 2.371 1
1 192 . 11 1 1 A 21 21 ALA H H 19 8.570 8.667 -0.097 1
1 193 . 11 1 1 A 21 21 ALA HA H 19 4.345 4.629 -0.284 1
1 197 . 11 1 1 A 21 21 ALA C C 19 177.570 177.572 -0.002 1
1 198 . 11 1 1 A 21 21 ALA CA C 19 50.997 50.348 0.649 1
1 199 . 11 1 1 A 21 21 ALA CB C 19 19.579 20.682 -1.103 1
1 200 . 11 1 1 A 21 21 ALA N N 19 131.401 130.331 1.070 1
1 201 . 11 1 1 A 22 22 ARG H H 20 7.838 8.072 -0.234 1
1 202 . 11 1 1 A 22 22 ARG HA H 20 2.545 3.045 -0.500 1
1 209 . 11 1 1 A 22 22 ARG C C 20 178.258 177.318 0.940 1
1 210 . 11 1 1 A 22 22 ARG CA C 20 59.407 58.383 1.024 1
1 211 . 11 1 1 A 22 22 ARG CB C 20 29.433 29.172 0.261 1
1 214 . 11 1 1 A 22 22 ARG N N 20 124.465 123.212 1.253 1
1 215 . 11 1 1 A 23 23 ALA H H 21 8.203 7.478 0.725 1
1 216 . 11 1 1 A 23 23 ALA HA H 21 4.069 4.122 -0.053 1
1 220 . 11 1 1 A 23 23 ALA C C 21 177.995 178.727 -0.732 1
1 221 . 11 1 1 A 23 23 ALA CA C 21 54.000 53.596 0.404 1
1 222 . 11 1 1 A 23 23 ALA CB C 21 18.722 18.220 0.502 1
1 223 . 11 1 1 A 23 23 ALA N N 21 117.242 120.916 -3.674 1
1 224 . 11 1 1 A 24 24 ASN H H 22 7.739 7.903 -0.164 1
1 225 . 11 1 1 A 24 24 ASN HA H 22 4.988 4.874 0.114 1
1 230 . 11 1 1 A 24 24 ASN C C 22 174.848 175.650 -0.802 1
1 231 . 11 1 1 A 24 24 ASN CA C 22 52.509 54.484 -1.975 1
1 232 . 11 1 1 A 24 24 ASN CB C 22 40.358 39.810 0.548 1
1 233 . 11 1 1 A 24 24 ASN N N 22 112.861 116.029 -3.168 1
1 235 . 11 1 1 A 25 25 VAL H H 23 7.524 7.328 0.196 1
1 236 . 11 1 1 A 25 25 VAL HA H 23 4.272 4.006 0.266 1
1 244 . 11 1 1 A 25 25 VAL C C 23 175.755 175.535 0.220 1
1 245 . 11 1 1 A 25 25 VAL CA C 23 62.859 63.535 -0.676 1
1 246 . 11 1 1 A 25 25 VAL CB C 23 33.432 31.861 1.571 1
1 249 . 11 1 1 A 25 25 VAL N N 23 119.883 118.436 1.447 1
1 250 . 11 1 1 A 26 26 LYS H H 24 9.527 9.087 0.440 1
1 251 . 11 1 1 A 26 26 LYS HA H 24 4.298 4.316 -0.018 1
1 260 . 11 1 1 A 26 26 LYS C C 24 176.634 176.662 -0.028 1
1 261 . 11 1 1 A 26 26 LYS CA C 24 58.989 58.041 0.948 1
1 262 . 11 1 1 A 26 26 LYS CB C 24 34.390 32.938 1.452 1
1 266 . 11 1 1 A 26 26 LYS N N 24 128.312 127.948 0.364 1
1 267 . 11 1 1 A 27 27 HIS H H 25 7.214 7.498 -0.284 1
1 268 . 11 1 1 A 27 27 HIS HA H 25 4.965 5.096 -0.131 1
1 273 . 11 1 1 A 27 27 HIS C C 25 172.740 172.691 0.049 1
1 274 . 11 1 1 A 27 27 HIS CA C 25 55.328 54.889 0.439 1
1 275 . 11 1 1 A 27 27 HIS CB C 25 32.882 31.383 1.499 1
1 278 . 11 1 1 A 27 27 HIS N N 25 109.505 113.587 -4.082 1
1 279 . 11 1 1 A 28 28 LEU H H 26 8.066 8.910 -0.844 1
1 280 . 11 1 1 A 28 28 LEU HA H 26 5.156 5.658 -0.502 1
1 290 . 11 1 1 A 28 28 LEU C C 26 175.346 175.484 -0.138 1
1 291 . 11 1 1 A 28 28 LEU CA C 26 53.466 53.337 0.129 1
1 292 . 11 1 1 A 28 28 LEU CB C 26 45.200 45.290 -0.090 1
1 296 . 11 1 1 A 28 28 LEU N N 26 116.963 119.956 -2.993 1
1 297 . 11 1 1 A 29 29 LYS H H 27 9.549 9.272 0.277 1
1 298 . 11 1 1 A 29 29 LYS HA H 27 5.353 5.202 0.151 1
1 307 . 11 1 1 A 29 29 LYS C C 27 174.716 174.695 0.021 1
1 308 . 11 1 1 A 29 29 LYS CA C 27 55.118 54.744 0.374 1
1 309 . 11 1 1 A 29 29 LYS CB C 27 35.144 35.666 -0.522 1
1 313 . 11 1 1 A 29 29 LYS N N 27 123.299 122.947 0.352 1
1 314 . 11 1 1 A 30 30 ILE H H 28 9.140 9.039 0.101 1
1 315 . 11 1 1 A 30 30 ILE HA H 28 4.910 5.038 -0.128 1
1 325 . 11 1 1 A 30 30 ILE C C 28 176.970 175.148 1.822 1
1 326 . 11 1 1 A 30 30 ILE CA C 28 60.390 59.580 0.810 1
1 327 . 11 1 1 A 30 30 ILE CB C 28 39.603 38.405 1.198 1
1 331 . 11 1 1 A 30 30 ILE N N 28 123.823 127.950 -4.127 1
1 332 . 11 1 1 A 31 31 LEU H H 29 8.866 9.287 -0.421 1
1 333 . 11 1 1 A 31 31 LEU HA H 29 4.580 4.467 0.113 1
1 342 . 11 1 1 A 31 31 LEU C C 29 175.975 176.123 -0.148 1
1 343 . 11 1 1 A 31 31 LEU CA C 29 55.474 54.202 1.272 1
1 344 . 11 1 1 A 31 31 LEU CB C 29 42.749 42.437 0.312 1
1 347 . 11 1 1 A 31 31 LEU N N 29 128.835 129.155 -0.320 1
1 348 . 11 1 1 A 32 32 ASN H H 30 8.211 8.798 -0.587 1
1 349 . 11 1 1 A 32 32 ASN HA H 30 4.998 4.903 0.095 1
1 354 . 11 1 1 A 32 32 ASN C C 30 174.658 174.587 0.071 1
1 355 . 11 1 1 A 32 32 ASN CA C 30 52.524 52.405 0.119 1
1 356 . 11 1 1 A 32 32 ASN CB C 30 38.978 38.992 -0.014 1
1 357 . 11 1 1 A 32 32 ASN N N 30 120.696 123.562 -2.866 1
1 359 . 11 1 1 A 33 33 THR H H 31 7.925 8.209 -0.284 1
1 360 . 11 1 1 A 33 33 THR HA H 31 4.784 5.063 -0.279 1
1 365 . 11 1 1 A 33 33 THR CA C 31 58.046 58.307 -0.261 1
1 366 . 11 1 1 A 33 33 THR CB C 31 70.341 70.889 -0.548 1
1 368 . 11 1 1 A 33 33 THR N N 31 116.303 116.790 -0.487 1
1 369 . 11 1 1 A 34 34 PRO HA H 32 4.300 4.382 -0.082 1
1 376 . 11 1 1 A 34 34 PRO C C 32 176.765 177.456 -0.691 1
1 377 . 11 1 1 A 34 34 PRO CA C 32 65.164 64.834 0.330 1
1 378 . 11 1 1 A 34 34 PRO CB C 32 32.484 31.975 0.509 1
1 381 . 11 1 1 A 35 35 ASN H H 33 8.294 8.330 -0.036 1
1 382 . 11 1 1 A 35 35 ASN C C 33 174.541 174.317 0.224 1
1 383 . 11 1 1 A 35 35 ASN N N 33 120.212 113.426 6.786 1
1 384 . 11 1 1 A 36 36 CYS H H 34 7.561 7.609 -0.048 1
1 385 . 11 1 1 A 36 36 CYS HA H 34 4.884 4.934 -0.050 1
1 388 . 11 1 1 A 36 36 CYS C C 34 173.838 173.813 0.025 1
1 389 . 11 1 1 A 36 36 CYS CA C 34 55.139 54.689 0.450 1
1 390 . 11 1 1 A 36 36 CYS CB C 34 45.200 46.069 -0.869 1
1 391 . 11 1 1 A 36 36 CYS N N 34 116.986 118.156 -1.170 1
1 392 . 11 1 1 A 37 37 ALA H H 35 8.520 8.553 -0.033 1
1 393 . 11 1 1 A 37 37 ALA HA H 35 4.233 4.176 0.057 1
1 397 . 11 1 1 A 37 37 ALA C C 35 176.326 177.043 -0.717 1
1 398 . 11 1 1 A 37 37 ALA CA C 35 53.152 54.812 -1.660 1
1 399 . 11 1 1 A 37 37 ALA CB C 35 18.930 19.024 -0.094 1
1 400 . 11 1 1 A 37 37 ALA N N 35 125.167 124.509 0.658 1
1 401 . 11 1 1 A 38 38 CYS H H 36 8.343 7.750 0.593 1
1 402 . 11 1 1 A 38 38 CYS HA H 36 4.213 4.767 -0.554 1
1 405 . 11 1 1 A 38 38 CYS C C 36 173.589 172.547 1.042 1
1 406 . 11 1 1 A 38 38 CYS CA C 36 58.487 57.996 0.491 1
1 407 . 11 1 1 A 38 38 CYS CB C 36 45.702 30.813 14.889 1
1 408 . 11 1 1 A 38 38 CYS N N 36 118.786 113.208 5.578 1
1 409 . 11 1 1 A 39 39 GLN H H 37 8.988 9.016 -0.028 1
1 410 . 11 1 1 A 39 39 GLN HA H 37 4.573 4.995 -0.422 1
1 417 . 11 1 1 A 39 39 GLN C C 37 173.545 174.727 -1.182 1
1 418 . 11 1 1 A 39 39 GLN CA C 37 54.491 54.445 0.046 1
1 419 . 11 1 1 A 39 39 GLN CB C 37 31.876 30.520 1.356 1
1 421 . 11 1 1 A 39 39 GLN N N 37 128.825 125.402 3.423 1
1 423 . 11 1 1 A 40 40 ILE H H 38 8.967 8.999 -0.032 1
1 424 . 11 1 1 A 40 40 ILE HA H 38 5.095 5.082 0.013 1
1 434 . 11 1 1 A 40 40 ILE C C 38 174.336 174.646 -0.310 1
1 435 . 11 1 1 A 40 40 ILE CA C 38 60.620 59.825 0.795 1
1 436 . 11 1 1 A 40 40 ILE CB C 38 40.235 40.841 -0.606 1
1 440 . 11 1 1 A 40 40 ILE N N 38 124.006 124.857 -0.851 1
1 441 . 11 1 1 A 41 41 VAL H H 39 9.130 9.304 -0.174 1
1 442 . 11 1 1 A 41 41 VAL HA H 39 4.926 5.068 -0.142 1
1 450 . 11 1 1 A 41 41 VAL C C 39 175.492 174.405 1.087 1
1 451 . 11 1 1 A 41 41 VAL CA C 39 59.993 60.967 -0.974 1
1 452 . 11 1 1 A 41 41 VAL CB C 39 35.270 34.217 1.053 1
1 455 . 11 1 1 A 41 41 VAL N N 39 125.973 127.709 -1.736 1
1 456 . 11 1 1 A 42 42 ALA H H 40 9.558 9.314 0.244 1
1 457 . 11 1 1 A 42 42 ALA HA H 40 5.123 5.263 -0.140 1
1 461 . 11 1 1 A 42 42 ALA C C 40 175.931 175.184 0.747 1
1 462 . 11 1 1 A 42 42 ALA CA C 40 50.558 50.053 0.505 1
1 463 . 11 1 1 A 42 42 ALA CB C 40 22.072 21.348 0.724 1
1 464 . 11 1 1 A 42 42 ALA N N 40 128.264 129.153 -0.889 1
1 465 . 11 1 1 A 43 43 ARG H H 41 7.707 8.524 -0.817 1
1 466 . 11 1 1 A 43 43 ARG HA H 41 4.966 4.828 0.138 1
1 473 . 11 1 1 A 43 43 ARG C C 41 175.477 175.297 0.180 1
1 474 . 11 1 1 A 43 43 ARG CA C 41 54.000 54.724 -0.724 1
1 475 . 11 1 1 A 43 43 ARG CB C 41 31.122 32.142 -1.020 1
1 478 . 11 1 1 A 43 43 ARG N N 41 121.647 123.728 -2.081 1
1 479 . 11 1 1 A 44 44 LEU H H 42 9.183 8.584 0.599 1
1 480 . 11 1 1 A 44 44 LEU HA H 42 5.009 4.716 0.293 1
1 490 . 11 1 1 A 44 44 LEU C C 42 177.848 176.685 1.163 1
1 491 . 11 1 1 A 44 44 LEU CA C 42 54.596 54.112 0.484 1
1 492 . 11 1 1 A 44 44 LEU CB C 42 41.806 42.664 -0.858 1
1 496 . 11 1 1 A 44 44 LEU N N 42 128.821 128.270 0.551 1
1 497 . 11 1 1 A 45 45 LYS H H 43 8.449 8.733 -0.284 1
1 498 . 11 1 1 A 45 45 LYS N N 43 119.659 121.425 -1.766 1
1 499 . 11 1 1 A 48 48 ASN HA H 46 4.716 5.112 -0.396 1
1 504 . 11 1 1 A 48 48 ASN C C 46 175.155 173.785 1.370 1
1 505 . 11 1 1 A 48 48 ASN CA C 46 54.616 51.915 2.701 1
1 506 . 11 1 1 A 48 48 ASN CB C 46 39.292 41.871 -2.579 1
1 508 . 11 1 1 A 49 49 ARG H H 47 7.926 8.315 -0.389 1
1 509 . 11 1 1 A 49 49 ARG HA H 47 4.274 4.762 -0.488 1
1 516 . 11 1 1 A 49 49 ARG C C 47 175.433 174.423 1.010 1
1 517 . 11 1 1 A 49 49 ARG CA C 47 57.252 54.095 3.157 1
1 518 . 11 1 1 A 49 49 ARG CB C 47 32.128 33.142 -1.014 1
1 521 . 11 1 1 A 49 49 ARG N N 47 120.086 120.030 0.056 1
1 522 . 11 1 1 A 50 50 GLN H H 48 8.542 8.600 -0.058 1
1 523 . 11 1 1 A 50 50 GLN HA H 48 5.478 4.959 0.519 1
1 528 . 11 1 1 A 50 50 GLN C C 48 175.697 175.367 0.330 1
1 529 . 11 1 1 A 50 50 GLN CA C 48 55.077 54.937 0.140 1
1 530 . 11 1 1 A 50 50 GLN CB C 48 31.751 30.454 1.297 1
1 532 . 11 1 1 A 50 50 GLN N N 48 120.774 121.753 -0.979 1
1 533 . 11 1 1 A 51 51 VAL H H 49 8.710 9.348 -0.638 1
1 534 . 11 1 1 A 51 51 VAL HA H 49 4.781 4.926 -0.145 1
1 542 . 11 1 1 A 51 51 VAL C C 49 175.185 173.557 1.628 1
1 543 . 11 1 1 A 51 51 VAL CA C 49 59.344 58.959 0.385 1
1 544 . 11 1 1 A 51 51 VAL CB C 49 36.024 35.403 0.621 1
1 547 . 11 1 1 A 51 51 VAL N N 49 117.392 119.071 -1.679 1
1 548 . 11 1 1 A 52 52 CYS H H 50 9.184 9.007 0.177 1
1 549 . 11 1 1 A 52 52 CYS HA H 50 5.313 5.383 -0.070 1
1 552 . 11 1 1 A 52 52 CYS C C 50 174.380 173.428 0.952 1
1 553 . 11 1 1 A 52 52 CYS CA C 50 57.984 54.196 3.788 1
1 554 . 11 1 1 A 52 52 CYS CB C 50 42.661 45.510 -2.849 1
1 555 . 11 1 1 A 52 52 CYS N N 50 124.238 120.934 3.304 1
1 556 . 11 1 1 A 53 53 ILE H H 51 8.434 9.652 -1.218 1
1 557 . 11 1 1 A 53 53 ILE HA H 51 4.928 5.321 -0.393 1
1 567 . 11 1 1 A 53 53 ILE C C 51 172.931 173.549 -0.618 1
1 568 . 11 1 1 A 53 53 ILE CA C 51 58.675 59.101 -0.426 1
1 569 . 11 1 1 A 53 53 ILE CB C 51 42.309 42.038 0.271 1
1 573 . 11 1 1 A 53 53 ILE N N 51 122.034 121.274 0.760 1
1 574 . 11 1 1 A 54 54 ASP H H 52 7.702 8.593 -0.891 1
1 575 . 11 1 1 A 54 54 ASP HA H 52 3.426 4.646 -1.220 1
1 578 . 11 1 1 A 54 54 ASP CA C 52 51.251 50.448 0.803 1
1 579 . 11 1 1 A 54 54 ASP CB C 52 42.515 41.693 0.822 1
1 580 . 11 1 1 A 54 54 ASP N N 52 125.815 123.614 2.201 1
1 581 . 11 1 1 A 55 55 PRO HA H 53 3.986 4.134 -0.148 1
1 588 . 11 1 1 A 55 55 PRO C C 53 176.034 177.655 -1.621 1
1 589 . 11 1 1 A 55 55 PRO CA C 53 63.947 64.251 -0.304 1
1 590 . 11 1 1 A 55 55 PRO CB C 53 33.000 31.859 1.141 1
1 593 . 11 1 1 A 56 56 LYS H H 54 7.889 8.118 -0.229 1
1 594 . 11 1 1 A 56 56 LYS HA H 54 3.993 4.247 -0.254 1
1 603 . 11 1 1 A 56 56 LYS C C 54 177.922 176.641 1.281 1
1 604 . 11 1 1 A 56 56 LYS CA C 54 56.729 56.259 0.470 1
1 605 . 11 1 1 A 56 56 LYS CB C 54 31.751 32.996 -1.245 1
1 609 . 11 1 1 A 56 56 LYS N N 54 112.456 115.996 -3.540 1
1 610 . 11 1 1 A 57 57 LEU H H 55 7.157 7.048 0.109 1
1 611 . 11 1 1 A 57 57 LEU HA H 55 4.040 4.069 -0.029 1
1 621 . 11 1 1 A 57 57 LEU C C 55 179.268 177.485 1.783 1
1 622 . 11 1 1 A 57 57 LEU CA C 55 55.997 55.181 0.816 1
1 623 . 11 1 1 A 57 57 LEU CB C 55 42.309 41.506 0.803 1
1 627 . 11 1 1 A 57 57 LEU N N 55 120.452 121.523 -1.071 1
1 628 . 11 1 1 A 58 58 LYS H H 56 8.731 8.815 -0.084 1
1 629 . 11 1 1 A 58 58 LYS HA H 56 3.913 3.915 -0.002 1
1 638 . 11 1 1 A 58 58 LYS C C 56 178.917 178.240 0.677 1
1 639 . 11 1 1 A 58 58 LYS CA C 56 60.202 59.514 0.688 1
1 640 . 11 1 1 A 58 58 LYS CB C 56 32.253 32.072 0.181 1
1 644 . 11 1 1 A 58 58 LYS N N 56 125.307 125.140 0.167 1
1 645 . 11 1 1 A 59 59 TRP H H 57 7.884 8.270 -0.386 1
1 646 . 11 1 1 A 59 59 TRP HA H 57 4.637 4.493 0.144 1
1 654 . 11 1 1 A 59 59 TRP C C 57 178.829 179.517 -0.688 1
1 655 . 11 1 1 A 59 59 TRP CA C 57 58.779 59.976 -1.197 1
1 656 . 11 1 1 A 59 59 TRP CB C 57 27.854 28.053 -0.199 1
1 662 . 11 1 1 A 59 59 TRP N N 57 113.503 119.132 -5.629 1
1 663 . 11 1 1 A 60 60 ILE H H 58 6.449 7.507 -1.058 1
1 664 . 11 1 1 A 60 60 ILE HA H 58 3.284 3.079 0.205 1
1 674 . 11 1 1 A 60 60 ILE C C 58 177.687 177.535 0.152 1
1 675 . 11 1 1 A 60 60 ILE CA C 58 64.177 64.957 -0.780 1
1 676 . 11 1 1 A 60 60 ILE CB C 58 35.710 37.448 -1.738 1
1 680 . 11 1 1 A 60 60 ILE N N 58 124.379 122.404 1.975 1
1 681 . 11 1 1 A 61 61 GLN H H 59 7.646 7.691 -0.045 1
1 682 . 11 1 1 A 61 61 GLN HA H 59 3.738 4.037 -0.299 1
1 689 . 11 1 1 A 61 61 GLN C C 59 178.361 178.999 -0.638 1
1 690 . 11 1 1 A 61 61 GLN CA C 59 59.302 59.107 0.195 1
1 691 . 11 1 1 A 61 61 GLN CB C 59 28.357 28.052 0.305 1
1 693 . 11 1 1 A 61 61 GLN N N 59 118.966 118.089 0.877 1
1 695 . 11 1 1 A 62 62 GLU H H 60 8.075 7.917 0.158 1
1 696 . 11 1 1 A 62 62 GLU HA H 60 4.076 4.167 -0.091 1
1 701 . 11 1 1 A 62 62 GLU C C 60 179.019 178.411 0.608 1
1 702 . 11 1 1 A 62 62 GLU CA C 60 59.637 58.798 0.839 1
1 703 . 11 1 1 A 62 62 GLU CB C 60 30.368 29.518 0.850 1
1 705 . 11 1 1 A 62 62 GLU N N 60 117.105 121.003 -3.898 1
1 706 . 11 1 1 A 63 63 TYR H H 61 7.922 8.203 -0.281 1
1 707 . 11 1 1 A 63 63 TYR HA H 61 4.237 4.345 -0.108 1
1 714 . 11 1 1 A 63 63 TYR C C 61 178.551 177.893 0.658 1
1 715 . 11 1 1 A 63 63 TYR CA C 61 61.206 61.528 -0.322 1
1 716 . 11 1 1 A 63 63 TYR CB C 61 39.669 38.906 0.763 1
1 719 . 11 1 1 A 63 63 TYR N N 61 121.402 123.020 -1.618 1
1 720 . 11 1 1 A 64 64 LEU H H 62 8.227 8.010 0.217 1
1 721 . 11 1 1 A 64 64 LEU HA H 62 3.957 4.161 -0.204 1
1 731 . 11 1 1 A 64 64 LEU C C 62 179.458 178.916 0.542 1
1 732 . 11 1 1 A 64 64 LEU CA C 62 57.880 58.077 -0.197 1
1 733 . 11 1 1 A 64 64 LEU CB C 62 42.434 41.202 1.232 1
1 737 . 11 1 1 A 64 64 LEU N N 62 116.209 119.369 -3.160 1
1 738 . 11 1 1 A 65 65 GLU H H 63 8.472 8.378 0.094 1
1 739 . 11 1 1 A 65 65 GLU HA H 63 3.827 4.101 -0.274 1
1 744 . 11 1 1 A 65 65 GLU C C 63 179.166 178.936 0.230 1
1 745 . 11 1 1 A 65 65 GLU CA C 63 60.265 59.101 1.164 1
1 746 . 11 1 1 A 65 65 GLU CB C 63 29.739 29.317 0.422 1
1 748 . 11 1 1 A 65 65 GLU N N 63 118.559 118.888 -0.329 1
1 749 . 11 1 1 A 66 66 LYS H H 64 7.554 7.703 -0.149 1
1 750 . 11 1 1 A 66 66 LYS HA H 64 4.215 4.163 0.052 1
1 759 . 11 1 1 A 66 66 LYS C C 64 178.302 177.945 0.357 1
1 760 . 11 1 1 A 66 66 LYS CA C 64 58.481 58.454 0.027 1
1 761 . 11 1 1 A 66 66 LYS CB C 64 32.505 32.289 0.216 1
1 765 . 11 1 1 A 66 66 LYS N N 64 117.056 118.449 -1.393 1
1 766 . 11 1 1 A 67 67 CYS H H 65 7.918 7.925 -0.007 1
1 767 . 11 1 1 A 67 67 CYS HA H 65 4.532 4.531 0.001 1
1 770 . 11 1 1 A 67 67 CYS C C 65 174.775 175.279 -0.504 1
1 771 . 11 1 1 A 67 67 CYS CA C 65 56.102 61.255 -5.153 1
1 772 . 11 1 1 A 67 67 CYS CB C 65 45.325 28.823 16.502 1
1 773 . 11 1 1 A 67 67 CYS N N 65 115.236 116.370 -1.134 1
1 774 . 11 1 1 A 68 68 LEU H H 66 7.558 7.640 -0.082 1
1 775 . 11 1 1 A 68 68 LEU HA H 66 4.520 4.302 0.218 1
1 785 . 11 1 1 A 68 68 LEU C C 66 176.765 177.090 -0.325 1
1 786 . 11 1 1 A 68 68 LEU CA C 66 55.202 55.691 -0.489 1
1 787 . 11 1 1 A 68 68 LEU CB C 66 43.314 41.572 1.742 1
1 791 . 11 1 1 A 68 68 LEU N N 66 121.130 121.403 -0.273 1
1 792 . 11 1 1 A 69 69 ASN H H 67 8.306 9.082 -0.776 1
1 793 . 11 1 1 A 69 69 ASN HA H 67 4.639 4.272 0.367 1
1 798 . 11 1 1 A 69 69 ASN C C 67 174.189 173.888 0.301 1
1 799 . 11 1 1 A 69 69 ASN CA C 67 53.654 54.667 -1.013 1
1 800 . 11 1 1 A 69 69 ASN CB C 67 38.978 37.455 1.523 1
1 801 . 11 1 1 A 69 69 ASN N N 67 120.313 122.222 -1.909 1
1 3 . 12 1 1 A 4 4 PRO HA H 2 4.490 4.605 -0.115 1
1 10 . 12 1 1 A 4 4 PRO C C 2 177.102 176.739 0.363 1
1 11 . 12 1 1 A 4 4 PRO CA C 2 63.319 62.787 0.532 1
1 12 . 12 1 1 A 4 4 PRO CB C 2 32.575 31.283 1.292 1
1 15 . 12 1 1 A 5 5 VAL H H 3 8.259 8.213 0.046 1
1 16 . 12 1 1 A 5 5 VAL HA H 3 4.117 4.419 -0.302 1
1 24 . 12 1 1 A 5 5 VAL C C 3 176.385 175.948 0.437 1
1 25 . 12 1 1 A 5 5 VAL CA C 3 62.629 61.556 1.073 1
1 26 . 12 1 1 A 5 5 VAL CB C 3 33.146 33.751 -0.605 1
1 29 . 12 1 1 A 5 5 VAL N N 3 120.806 119.084 1.722 1
1 30 . 12 1 1 A 6 6 SER H H 4 8.345 7.828 0.517 1
1 31 . 12 1 1 A 6 6 SER HA H 4 4.479 4.716 -0.237 1
1 34 . 12 1 1 A 6 6 SER C C 4 174.687 173.165 1.522 1
1 35 . 12 1 1 A 6 6 SER CA C 4 58.340 56.682 1.658 1
1 36 . 12 1 1 A 6 6 SER CB C 4 64.208 64.285 -0.077 1
1 37 . 12 1 1 A 6 6 SER N N 4 119.332 115.452 3.880 1
1 38 . 12 1 1 A 7 7 LEU H H 5 8.334 8.663 -0.329 1
1 39 . 12 1 1 A 7 7 LEU HA H 5 4.384 4.839 -0.455 1
1 45 . 12 1 1 A 7 7 LEU C C 5 177.424 176.176 1.248 1
1 46 . 12 1 1 A 7 7 LEU CA C 5 55.495 54.184 1.311 1
1 47 . 12 1 1 A 7 7 LEU CB C 5 42.786 43.470 -0.684 1
1 49 . 12 1 1 A 7 7 LEU N N 5 124.942 127.613 -2.671 1
1 50 . 12 1 1 A 8 8 SER H H 6 8.198 8.615 -0.417 1
1 51 . 12 1 1 A 8 8 SER HA H 6 4.407 4.681 -0.274 1
1 54 . 12 1 1 A 8 8 SER C C 6 174.306 174.964 -0.658 1
1 55 . 12 1 1 A 8 8 SER CA C 6 58.696 58.685 0.011 1
1 56 . 12 1 1 A 8 8 SER CB C 6 64.136 63.985 0.151 1
1 57 . 12 1 1 A 8 8 SER N N 6 116.070 120.305 -4.235 1
1 58 . 12 1 1 A 9 9 TYR H H 7 8.005 7.917 0.088 1
1 59 . 12 1 1 A 9 9 TYR HA H 7 4.547 4.292 0.255 1
1 66 . 12 1 1 A 9 9 TYR C C 7 175.507 176.028 -0.521 1
1 67 . 12 1 1 A 9 9 TYR CA C 7 58.236 60.416 -2.180 1
1 68 . 12 1 1 A 9 9 TYR CB C 7 39.144 39.609 -0.465 1
1 71 . 12 1 1 A 9 9 TYR N N 7 122.102 121.573 0.529 1
1 72 . 12 1 1 A 10 10 ARG H H 8 8.142 7.848 0.294 1
1 73 . 12 1 1 A 10 10 ARG HA H 8 4.302 4.278 0.024 1
1 80 . 12 1 1 A 10 10 ARG C C 8 175.946 175.554 0.392 1
1 81 . 12 1 1 A 10 10 ARG CA C 8 56.102 56.032 0.070 1
1 82 . 12 1 1 A 10 10 ARG CB C 8 31.004 30.776 0.228 1
1 85 . 12 1 1 A 10 10 ARG N N 8 122.105 117.681 4.424 1
1 86 . 12 1 1 A 11 11 CYS H H 9 8.185 8.599 -0.414 1
1 87 . 12 1 1 A 11 11 CYS HA H 9 4.952 4.997 -0.045 1
1 90 . 12 1 1 A 11 11 CYS CA C 9 53.192 54.571 -1.379 1
1 91 . 12 1 1 A 11 11 CYS CB C 9 40.250 43.467 -3.217 1
1 92 . 12 1 1 A 11 11 CYS N N 9 121.511 122.224 -0.713 1
1 93 . 12 1 1 A 12 12 PRO HA H 10 4.315 4.446 -0.131 1
1 100 . 12 1 1 A 12 12 PRO C C 10 177.980 176.448 1.532 1
1 101 . 12 1 1 A 12 12 PRO CA C 10 65.345 64.532 0.813 1
1 102 . 12 1 1 A 12 12 PRO CB C 10 32.575 31.825 0.750 1
1 105 . 12 1 1 A 13 13 CYS H H 11 8.719 8.576 0.143 1
1 106 . 12 1 1 A 13 13 CYS N N 11 115.047 116.872 -1.825 1
1 107 . 12 1 1 A 14 14 ARG HA H 12 4.028 4.422 -0.394 1
1 114 . 12 1 1 A 14 14 ARG C C 12 175.097 176.049 -0.952 1
1 115 . 12 1 1 A 14 14 ARG CA C 12 57.503 56.881 0.622 1
1 116 . 12 1 1 A 14 14 ARG CB C 12 31.289 31.251 0.038 1
1 119 . 12 1 1 A 15 15 PHE H H 13 7.607 7.708 -0.101 1
1 120 . 12 1 1 A 15 15 PHE HA H 13 4.497 5.309 -0.812 1
1 127 . 12 1 1 A 15 15 PHE C C 13 174.292 175.100 -0.808 1
1 128 . 12 1 1 A 15 15 PHE CA C 13 56.060 56.486 -0.426 1
1 129 . 12 1 1 A 15 15 PHE CB C 13 41.122 43.090 -1.968 1
1 132 . 12 1 1 A 15 15 PHE N N 13 116.487 116.370 0.117 1
1 133 . 12 1 1 A 16 16 PHE H H 14 8.202 9.003 -0.801 1
1 134 . 12 1 1 A 16 16 PHE HA H 14 4.793 5.652 -0.859 1
1 141 . 12 1 1 A 16 16 PHE C C 14 175.433 173.815 1.618 1
1 142 . 12 1 1 A 16 16 PHE CA C 14 55.516 55.404 0.112 1
1 143 . 12 1 1 A 16 16 PHE CB C 14 41.096 42.160 -1.064 1
1 146 . 12 1 1 A 16 16 PHE N N 14 119.591 119.628 -0.037 1
1 147 . 12 1 1 A 17 17 GLU H H 15 8.749 9.455 -0.706 1
1 148 . 12 1 1 A 17 17 GLU HA H 15 4.579 4.239 0.340 1
1 153 . 12 1 1 A 17 17 GLU C C 15 176.809 176.725 0.084 1
1 154 . 12 1 1 A 17 17 GLU CA C 15 56.395 56.237 0.158 1
1 155 . 12 1 1 A 17 17 GLU CB C 15 30.932 30.118 0.814 1
1 157 . 12 1 1 A 17 17 GLU N N 15 122.719 122.378 0.341 1
1 158 . 12 1 1 A 18 18 SER H H 16 8.764 8.592 0.172 1
1 159 . 12 1 1 A 18 18 SER HA H 16 4.697 4.700 -0.003 1
1 162 . 12 1 1 A 18 18 SER CA C 16 59.637 58.480 1.157 1
1 163 . 12 1 1 A 18 18 SER CB C 16 64.708 63.489 1.219 1
1 164 . 12 1 1 A 18 18 SER N N 16 118.765 120.835 -2.070 1
1 165 . 12 1 1 A 19 19 HIS H H 17 8.617 7.598 1.019 1
1 166 . 12 1 1 A 19 19 HIS HA H 17 4.770 5.040 -0.270 1
1 171 . 12 1 1 A 19 19 HIS C C 17 174.658 172.940 1.718 1
1 172 . 12 1 1 A 19 19 HIS CA C 17 56.750 55.321 1.429 1
1 173 . 12 1 1 A 19 19 HIS CB C 17 29.718 31.538 -1.820 1
1 176 . 12 1 1 A 19 19 HIS N N 17 119.651 120.837 -1.186 1
1 177 . 12 1 1 A 20 20 VAL H H 18 7.360 8.686 -1.326 1
1 178 . 12 1 1 A 20 20 VAL HA H 18 4.100 4.531 -0.431 1
1 186 . 12 1 1 A 20 20 VAL C C 18 174.424 173.123 1.301 1
1 187 . 12 1 1 A 20 20 VAL CA C 18 62.252 60.661 1.591 1
1 188 . 12 1 1 A 20 20 VAL CB C 18 34.146 35.134 -0.988 1
1 191 . 12 1 1 A 20 20 VAL N N 18 121.352 125.457 -4.105 1
1 192 . 12 1 1 A 21 21 ALA H H 19 8.570 8.384 0.186 1
1 193 . 12 1 1 A 21 21 ALA HA H 19 4.345 4.665 -0.320 1
1 197 . 12 1 1 A 21 21 ALA C C 19 177.570 177.683 -0.113 1
1 198 . 12 1 1 A 21 21 ALA CA C 19 50.997 50.252 0.745 1
1 199 . 12 1 1 A 21 21 ALA CB C 19 19.579 22.533 -2.954 1
1 200 . 12 1 1 A 21 21 ALA N N 19 131.401 129.226 2.175 1
1 201 . 12 1 1 A 22 22 ARG H H 20 7.838 8.127 -0.289 1
1 202 . 12 1 1 A 22 22 ARG HA H 20 2.545 3.034 -0.489 1
1 209 . 12 1 1 A 22 22 ARG C C 20 178.258 177.053 1.205 1
1 210 . 12 1 1 A 22 22 ARG CA C 20 59.407 57.751 1.656 1
1 211 . 12 1 1 A 22 22 ARG CB C 20 29.433 29.392 0.041 1
1 214 . 12 1 1 A 22 22 ARG N N 20 124.465 120.149 4.316 1
1 215 . 12 1 1 A 23 23 ALA H H 21 8.203 7.489 0.714 1
1 216 . 12 1 1 A 23 23 ALA HA H 21 4.069 4.143 -0.074 1
1 220 . 12 1 1 A 23 23 ALA C C 21 177.995 178.688 -0.693 1
1 221 . 12 1 1 A 23 23 ALA CA C 21 54.000 53.306 0.694 1
1 222 . 12 1 1 A 23 23 ALA CB C 21 18.722 18.541 0.181 1
1 223 . 12 1 1 A 23 23 ALA N N 21 117.242 121.421 -4.179 1
1 224 . 12 1 1 A 24 24 ASN H H 22 7.739 7.944 -0.205 1
1 225 . 12 1 1 A 24 24 ASN HA H 22 4.988 4.754 0.234 1
1 230 . 12 1 1 A 24 24 ASN C C 22 174.848 175.097 -0.249 1
1 231 . 12 1 1 A 24 24 ASN CA C 22 52.509 54.620 -2.111 1
1 232 . 12 1 1 A 24 24 ASN CB C 22 40.358 39.348 1.010 1
1 233 . 12 1 1 A 24 24 ASN N N 22 112.861 115.686 -2.825 1
1 235 . 12 1 1 A 25 25 VAL H H 23 7.524 7.108 0.416 1
1 236 . 12 1 1 A 25 25 VAL HA H 23 4.272 3.959 0.313 1
1 244 . 12 1 1 A 25 25 VAL C C 23 175.755 175.681 0.074 1
1 245 . 12 1 1 A 25 25 VAL CA C 23 62.859 61.946 0.913 1
1 246 . 12 1 1 A 25 25 VAL CB C 23 33.432 32.431 1.001 1
1 249 . 12 1 1 A 25 25 VAL N N 23 119.883 116.425 3.458 1
1 250 . 12 1 1 A 26 26 LYS H H 24 9.527 9.337 0.190 1
1 251 . 12 1 1 A 26 26 LYS HA H 24 4.298 4.373 -0.075 1
1 260 . 12 1 1 A 26 26 LYS C C 24 176.634 176.649 -0.015 1
1 261 . 12 1 1 A 26 26 LYS CA C 24 58.989 57.527 1.462 1
1 262 . 12 1 1 A 26 26 LYS CB C 24 34.390 33.054 1.336 1
1 266 . 12 1 1 A 26 26 LYS N N 24 128.312 125.131 3.181 1
1 267 . 12 1 1 A 27 27 HIS H H 25 7.214 6.998 0.216 1
1 268 . 12 1 1 A 27 27 HIS HA H 25 4.965 5.077 -0.112 1
1 273 . 12 1 1 A 27 27 HIS C C 25 172.740 172.622 0.118 1
1 274 . 12 1 1 A 27 27 HIS CA C 25 55.328 54.745 0.583 1
1 275 . 12 1 1 A 27 27 HIS CB C 25 32.882 31.253 1.629 1
1 278 . 12 1 1 A 27 27 HIS N N 25 109.505 114.153 -4.648 1
1 279 . 12 1 1 A 28 28 LEU H H 26 8.066 8.879 -0.813 1
1 280 . 12 1 1 A 28 28 LEU HA H 26 5.156 5.560 -0.404 1
1 290 . 12 1 1 A 28 28 LEU C C 26 175.346 175.527 -0.181 1
1 291 . 12 1 1 A 28 28 LEU CA C 26 53.466 53.389 0.077 1
1 292 . 12 1 1 A 28 28 LEU CB C 26 45.200 45.487 -0.287 1
1 296 . 12 1 1 A 28 28 LEU N N 26 116.963 120.186 -3.223 1
1 297 . 12 1 1 A 29 29 LYS H H 27 9.549 9.483 0.066 1
1 298 . 12 1 1 A 29 29 LYS HA H 27 5.353 5.223 0.130 1
1 307 . 12 1 1 A 29 29 LYS C C 27 174.716 174.693 0.023 1
1 308 . 12 1 1 A 29 29 LYS CA C 27 55.118 54.801 0.317 1
1 309 . 12 1 1 A 29 29 LYS CB C 27 35.144 35.661 -0.517 1
1 313 . 12 1 1 A 29 29 LYS N N 27 123.299 122.924 0.375 1
1 314 . 12 1 1 A 30 30 ILE H H 28 9.140 9.002 0.138 1
1 315 . 12 1 1 A 30 30 ILE HA H 28 4.910 5.056 -0.146 1
1 325 . 12 1 1 A 30 30 ILE C C 28 176.970 174.669 2.301 1
1 326 . 12 1 1 A 30 30 ILE CA C 28 60.390 59.503 0.887 1
1 327 . 12 1 1 A 30 30 ILE CB C 28 39.603 38.272 1.331 1
1 331 . 12 1 1 A 30 30 ILE N N 28 123.823 128.069 -4.246 1
1 332 . 12 1 1 A 31 31 LEU H H 29 8.866 9.219 -0.353 1
1 333 . 12 1 1 A 31 31 LEU HA H 29 4.580 4.792 -0.212 1
1 342 . 12 1 1 A 31 31 LEU C C 29 175.975 175.885 0.090 1
1 343 . 12 1 1 A 31 31 LEU CA C 29 55.474 53.606 1.868 1
1 344 . 12 1 1 A 31 31 LEU CB C 29 42.749 43.575 -0.826 1
1 347 . 12 1 1 A 31 31 LEU N N 29 128.835 128.756 0.079 1
1 348 . 12 1 1 A 32 32 ASN H H 30 8.211 8.707 -0.496 1
1 349 . 12 1 1 A 32 32 ASN HA H 30 4.998 5.038 -0.040 1
1 354 . 12 1 1 A 32 32 ASN C C 30 174.658 174.727 -0.069 1
1 355 . 12 1 1 A 32 32 ASN CA C 30 52.524 52.087 0.437 1
1 356 . 12 1 1 A 32 32 ASN CB C 30 38.978 39.517 -0.539 1
1 357 . 12 1 1 A 32 32 ASN N N 30 120.696 122.668 -1.972 1
1 359 . 12 1 1 A 33 33 THR H H 31 7.925 8.151 -0.226 1
1 360 . 12 1 1 A 33 33 THR HA H 31 4.784 5.001 -0.217 1
1 365 . 12 1 1 A 33 33 THR CA C 31 58.046 58.302 -0.256 1
1 366 . 12 1 1 A 33 33 THR CB C 31 70.341 70.116 0.225 1
1 368 . 12 1 1 A 33 33 THR N N 31 116.303 117.189 -0.886 1
1 369 . 12 1 1 A 34 34 PRO HA H 32 4.300 4.426 -0.126 1
1 376 . 12 1 1 A 34 34 PRO C C 32 176.765 176.890 -0.125 1
1 377 . 12 1 1 A 34 34 PRO CA C 32 65.164 64.868 0.296 1
1 378 . 12 1 1 A 34 34 PRO CB C 32 32.484 31.964 0.520 1
1 381 . 12 1 1 A 35 35 ASN H H 33 8.294 7.883 0.411 1
1 382 . 12 1 1 A 35 35 ASN C C 33 174.541 173.585 0.956 1
1 383 . 12 1 1 A 35 35 ASN N N 33 120.212 113.556 6.656 1
1 384 . 12 1 1 A 36 36 CYS H H 34 7.561 8.574 -1.013 1
1 385 . 12 1 1 A 36 36 CYS HA H 34 4.884 4.993 -0.109 1
1 388 . 12 1 1 A 36 36 CYS C C 34 173.838 172.502 1.336 1
1 389 . 12 1 1 A 36 36 CYS CA C 34 55.139 55.029 0.110 1
1 390 . 12 1 1 A 36 36 CYS CB C 34 45.200 47.226 -2.026 1
1 391 . 12 1 1 A 36 36 CYS N N 34 116.986 123.285 -6.299 1
1 392 . 12 1 1 A 37 37 ALA H H 35 8.520 8.467 0.053 1
1 393 . 12 1 1 A 37 37 ALA HA H 35 4.233 4.266 -0.033 1
1 397 . 12 1 1 A 37 37 ALA C C 35 176.326 177.104 -0.778 1
1 398 . 12 1 1 A 37 37 ALA CA C 35 53.152 51.958 1.194 1
1 399 . 12 1 1 A 37 37 ALA CB C 35 18.930 19.774 -0.844 1
1 400 . 12 1 1 A 37 37 ALA N N 35 125.167 124.718 0.449 1
1 401 . 12 1 1 A 38 38 CYS H H 36 8.343 8.332 0.011 1
1 402 . 12 1 1 A 38 38 CYS HA H 36 4.213 4.309 -0.096 1
1 405 . 12 1 1 A 38 38 CYS C C 36 173.589 173.936 -0.347 1
1 406 . 12 1 1 A 38 38 CYS CA C 36 58.487 59.412 -0.925 1
1 407 . 12 1 1 A 38 38 CYS CB C 36 45.702 28.267 17.435 1
1 408 . 12 1 1 A 38 38 CYS N N 36 118.786 118.802 -0.016 1
1 409 . 12 1 1 A 39 39 GLN H H 37 8.988 8.626 0.362 1
1 410 . 12 1 1 A 39 39 GLN HA H 37 4.573 4.702 -0.129 1
1 417 . 12 1 1 A 39 39 GLN C C 37 173.545 174.863 -1.318 1
1 418 . 12 1 1 A 39 39 GLN CA C 37 54.491 55.721 -1.230 1
1 419 . 12 1 1 A 39 39 GLN CB C 37 31.876 29.521 2.355 1
1 421 . 12 1 1 A 39 39 GLN N N 37 128.825 127.474 1.351 1
1 423 . 12 1 1 A 40 40 ILE H H 38 8.967 8.851 0.116 1
1 424 . 12 1 1 A 40 40 ILE HA H 38 5.095 4.907 0.188 1
1 434 . 12 1 1 A 40 40 ILE C C 38 174.336 174.414 -0.078 1
1 435 . 12 1 1 A 40 40 ILE CA C 38 60.620 60.134 0.486 1
1 436 . 12 1 1 A 40 40 ILE CB C 38 40.235 40.864 -0.629 1
1 440 . 12 1 1 A 40 40 ILE N N 38 124.006 124.996 -0.990 1
1 441 . 12 1 1 A 41 41 VAL H H 39 9.130 9.606 -0.476 1
1 442 . 12 1 1 A 41 41 VAL HA H 39 4.926 4.704 0.222 1
1 450 . 12 1 1 A 41 41 VAL C C 39 175.492 174.445 1.047 1
1 451 . 12 1 1 A 41 41 VAL CA C 39 59.993 61.178 -1.185 1
1 452 . 12 1 1 A 41 41 VAL CB C 39 35.270 34.025 1.245 1
1 455 . 12 1 1 A 41 41 VAL N N 39 125.973 129.111 -3.138 1
1 456 . 12 1 1 A 42 42 ALA H H 40 9.558 9.172 0.386 1
1 457 . 12 1 1 A 42 42 ALA HA H 40 5.123 5.292 -0.169 1
1 461 . 12 1 1 A 42 42 ALA C C 40 175.931 175.181 0.750 1
1 462 . 12 1 1 A 42 42 ALA CA C 40 50.558 50.058 0.500 1
1 463 . 12 1 1 A 42 42 ALA CB C 40 22.072 21.317 0.755 1
1 464 . 12 1 1 A 42 42 ALA N N 40 128.264 129.223 -0.959 1
1 465 . 12 1 1 A 43 43 ARG H H 41 7.707 8.687 -0.980 1
1 466 . 12 1 1 A 43 43 ARG HA H 41 4.966 4.817 0.149 1
1 473 . 12 1 1 A 43 43 ARG C C 41 175.477 175.019 0.458 1
1 474 . 12 1 1 A 43 43 ARG CA C 41 54.000 54.510 -0.510 1
1 475 . 12 1 1 A 43 43 ARG CB C 41 31.122 32.103 -0.981 1
1 478 . 12 1 1 A 43 43 ARG N N 41 121.647 123.706 -2.059 1
1 479 . 12 1 1 A 44 44 LEU H H 42 9.183 8.743 0.440 1
1 480 . 12 1 1 A 44 44 LEU HA H 42 5.009 4.932 0.077 1
1 490 . 12 1 1 A 44 44 LEU C C 42 177.848 177.226 0.622 1
1 491 . 12 1 1 A 44 44 LEU CA C 42 54.596 53.860 0.736 1
1 492 . 12 1 1 A 44 44 LEU CB C 42 41.806 42.497 -0.691 1
1 496 . 12 1 1 A 44 44 LEU N N 42 128.821 128.299 0.522 1
1 497 . 12 1 1 A 45 45 LYS H H 43 8.449 8.096 0.353 1
1 498 . 12 1 1 A 45 45 LYS N N 43 119.659 121.261 -1.602 1
1 499 . 12 1 1 A 48 48 ASN HA H 46 4.716 4.784 -0.068 1
1 504 . 12 1 1 A 48 48 ASN C C 46 175.155 175.863 -0.708 1
1 505 . 12 1 1 A 48 48 ASN CA C 46 54.616 52.890 1.726 1
1 506 . 12 1 1 A 48 48 ASN CB C 46 39.292 39.352 -0.060 1
1 508 . 12 1 1 A 49 49 ARG H H 47 7.926 8.041 -0.115 1
1 509 . 12 1 1 A 49 49 ARG HA H 47 4.274 4.164 0.110 1
1 516 . 12 1 1 A 49 49 ARG C C 47 175.433 175.205 0.228 1
1 517 . 12 1 1 A 49 49 ARG CA C 47 57.252 58.228 -0.976 1
1 518 . 12 1 1 A 49 49 ARG CB C 47 32.128 28.946 3.182 1
1 521 . 12 1 1 A 49 49 ARG N N 47 120.086 117.901 2.185 1
1 522 . 12 1 1 A 50 50 GLN H H 48 8.542 8.453 0.089 1
1 523 . 12 1 1 A 50 50 GLN HA H 48 5.478 5.005 0.473 1
1 528 . 12 1 1 A 50 50 GLN C C 48 175.697 175.537 0.160 1
1 529 . 12 1 1 A 50 50 GLN CA C 48 55.077 54.991 0.086 1
1 530 . 12 1 1 A 50 50 GLN CB C 48 31.751 29.968 1.783 1
1 532 . 12 1 1 A 50 50 GLN N N 48 120.774 121.277 -0.503 1
1 533 . 12 1 1 A 51 51 VAL H H 49 8.710 9.141 -0.431 1
1 534 . 12 1 1 A 51 51 VAL HA H 49 4.781 4.841 -0.060 1
1 542 . 12 1 1 A 51 51 VAL C C 49 175.185 173.524 1.661 1
1 543 . 12 1 1 A 51 51 VAL CA C 49 59.344 58.939 0.405 1
1 544 . 12 1 1 A 51 51 VAL CB C 49 36.024 35.731 0.293 1
1 547 . 12 1 1 A 51 51 VAL N N 49 117.392 118.292 -0.900 1
1 548 . 12 1 1 A 52 52 CYS H H 50 9.184 8.919 0.265 1
1 549 . 12 1 1 A 52 52 CYS HA H 50 5.313 5.386 -0.073 1
1 552 . 12 1 1 A 52 52 CYS C C 50 174.380 173.648 0.732 1
1 553 . 12 1 1 A 52 52 CYS CA C 50 57.984 54.399 3.585 1
1 554 . 12 1 1 A 52 52 CYS CB C 50 42.661 45.607 -2.946 1
1 555 . 12 1 1 A 52 52 CYS N N 50 124.238 120.813 3.425 1
1 556 . 12 1 1 A 53 53 ILE H H 51 8.434 9.570 -1.136 1
1 557 . 12 1 1 A 53 53 ILE HA H 51 4.928 5.283 -0.355 1
1 567 . 12 1 1 A 53 53 ILE C C 51 172.931 173.530 -0.599 1
1 568 . 12 1 1 A 53 53 ILE CA C 51 58.675 59.048 -0.373 1
1 569 . 12 1 1 A 53 53 ILE CB C 51 42.309 41.508 0.801 1
1 573 . 12 1 1 A 53 53 ILE N N 51 122.034 120.385 1.649 1
1 574 . 12 1 1 A 54 54 ASP H H 52 7.702 8.789 -1.087 1
1 575 . 12 1 1 A 54 54 ASP HA H 52 3.426 4.965 -1.539 1
1 578 . 12 1 1 A 54 54 ASP CA C 52 51.251 50.441 0.810 1
1 579 . 12 1 1 A 54 54 ASP CB C 52 42.515 43.368 -0.853 1
1 580 . 12 1 1 A 54 54 ASP N N 52 125.815 121.933 3.882 1
1 581 . 12 1 1 A 55 55 PRO HA H 53 3.986 4.163 -0.177 1
1 588 . 12 1 1 A 55 55 PRO C C 53 176.034 177.880 -1.846 1
1 589 . 12 1 1 A 55 55 PRO CA C 53 63.947 64.204 -0.257 1
1 590 . 12 1 1 A 55 55 PRO CB C 53 33.000 31.735 1.265 1
1 593 . 12 1 1 A 56 56 LYS H H 54 7.889 8.317 -0.428 1
1 594 . 12 1 1 A 56 56 LYS HA H 54 3.993 3.990 0.003 1
1 603 . 12 1 1 A 56 56 LYS C C 54 177.922 177.449 0.473 1
1 604 . 12 1 1 A 56 56 LYS CA C 54 56.729 58.689 -1.960 1
1 605 . 12 1 1 A 56 56 LYS CB C 54 31.751 31.561 0.190 1
1 609 . 12 1 1 A 56 56 LYS N N 54 112.456 117.801 -5.345 1
1 610 . 12 1 1 A 57 57 LEU H H 55 7.157 7.246 -0.089 1
1 611 . 12 1 1 A 57 57 LEU HA H 55 4.040 4.175 -0.135 1
1 621 . 12 1 1 A 57 57 LEU C C 55 179.268 177.318 1.950 1
1 622 . 12 1 1 A 57 57 LEU CA C 55 55.997 55.507 0.490 1
1 623 . 12 1 1 A 57 57 LEU CB C 55 42.309 41.765 0.544 1
1 627 . 12 1 1 A 57 57 LEU N N 55 120.452 120.773 -0.321 1
1 628 . 12 1 1 A 58 58 LYS H H 56 8.731 8.828 -0.097 1
1 629 . 12 1 1 A 58 58 LYS HA H 56 3.913 3.898 0.015 1
1 638 . 12 1 1 A 58 58 LYS C C 56 178.917 178.524 0.393 1
1 639 . 12 1 1 A 58 58 LYS CA C 56 60.202 59.016 1.186 1
1 640 . 12 1 1 A 58 58 LYS CB C 56 32.253 32.221 0.032 1
1 644 . 12 1 1 A 58 58 LYS N N 56 125.307 126.684 -1.377 1
1 645 . 12 1 1 A 59 59 TRP H H 57 7.884 8.261 -0.377 1
1 646 . 12 1 1 A 59 59 TRP HA H 57 4.637 4.998 -0.361 1
1 654 . 12 1 1 A 59 59 TRP C C 57 178.829 179.457 -0.628 1
1 655 . 12 1 1 A 59 59 TRP CA C 57 58.779 59.887 -1.108 1
1 656 . 12 1 1 A 59 59 TRP CB C 57 27.854 28.024 -0.170 1
1 662 . 12 1 1 A 59 59 TRP N N 57 113.503 119.256 -5.753 1
1 663 . 12 1 1 A 60 60 ILE H H 58 6.449 7.253 -0.804 1
1 664 . 12 1 1 A 60 60 ILE HA H 58 3.284 3.022 0.262 1
1 674 . 12 1 1 A 60 60 ILE C C 58 177.687 177.819 -0.132 1
1 675 . 12 1 1 A 60 60 ILE CA C 58 64.177 64.876 -0.699 1
1 676 . 12 1 1 A 60 60 ILE CB C 58 35.710 37.346 -1.636 1
1 680 . 12 1 1 A 60 60 ILE N N 58 124.379 122.367 2.012 1
1 681 . 12 1 1 A 61 61 GLN H H 59 7.646 7.581 0.065 1
1 682 . 12 1 1 A 61 61 GLN HA H 59 3.738 4.038 -0.300 1
1 689 . 12 1 1 A 61 61 GLN C C 59 178.361 179.101 -0.740 1
1 690 . 12 1 1 A 61 61 GLN CA C 59 59.302 59.042 0.260 1
1 691 . 12 1 1 A 61 61 GLN CB C 59 28.357 27.951 0.406 1
1 693 . 12 1 1 A 61 61 GLN N N 59 118.966 118.004 0.962 1
1 695 . 12 1 1 A 62 62 GLU H H 60 8.075 7.606 0.469 1
1 696 . 12 1 1 A 62 62 GLU HA H 60 4.076 4.119 -0.043 1
1 701 . 12 1 1 A 62 62 GLU C C 60 179.019 178.535 0.484 1
1 702 . 12 1 1 A 62 62 GLU CA C 60 59.637 58.992 0.645 1
1 703 . 12 1 1 A 62 62 GLU CB C 60 30.368 29.529 0.839 1
1 705 . 12 1 1 A 62 62 GLU N N 60 117.105 120.685 -3.580 1
1 706 . 12 1 1 A 63 63 TYR H H 61 7.922 7.932 -0.010 1
1 707 . 12 1 1 A 63 63 TYR HA H 61 4.237 4.325 -0.088 1
1 714 . 12 1 1 A 63 63 TYR C C 61 178.551 177.902 0.649 1
1 715 . 12 1 1 A 63 63 TYR CA C 61 61.206 61.521 -0.315 1
1 716 . 12 1 1 A 63 63 TYR CB C 61 39.669 39.053 0.616 1
1 719 . 12 1 1 A 63 63 TYR N N 61 121.402 122.728 -1.326 1
1 720 . 12 1 1 A 64 64 LEU H H 62 8.227 7.882 0.345 1
1 721 . 12 1 1 A 64 64 LEU HA H 62 3.957 4.071 -0.114 1
1 731 . 12 1 1 A 64 64 LEU C C 62 179.458 178.817 0.641 1
1 732 . 12 1 1 A 64 64 LEU CA C 62 57.880 58.133 -0.253 1
1 733 . 12 1 1 A 64 64 LEU CB C 62 42.434 41.154 1.280 1
1 737 . 12 1 1 A 64 64 LEU N N 62 116.209 119.180 -2.971 1
1 738 . 12 1 1 A 65 65 GLU H H 63 8.472 8.222 0.250 1
1 739 . 12 1 1 A 65 65 GLU HA H 63 3.827 4.022 -0.195 1
1 744 . 12 1 1 A 65 65 GLU C C 63 179.166 178.444 0.722 1
1 745 . 12 1 1 A 65 65 GLU CA C 63 60.265 59.538 0.727 1
1 746 . 12 1 1 A 65 65 GLU CB C 63 29.739 29.490 0.249 1
1 748 . 12 1 1 A 65 65 GLU N N 63 118.559 119.023 -0.464 1
1 749 . 12 1 1 A 66 66 LYS H H 64 7.554 7.868 -0.314 1
1 750 . 12 1 1 A 66 66 LYS HA H 64 4.215 4.247 -0.032 1
1 759 . 12 1 1 A 66 66 LYS C C 64 178.302 177.584 0.718 1
1 760 . 12 1 1 A 66 66 LYS CA C 64 58.481 57.766 0.715 1
1 761 . 12 1 1 A 66 66 LYS CB C 64 32.505 32.444 0.061 1
1 765 . 12 1 1 A 66 66 LYS N N 64 117.056 118.125 -1.069 1
1 766 . 12 1 1 A 67 67 CYS H H 65 7.918 7.796 0.122 1
1 767 . 12 1 1 A 67 67 CYS HA H 65 4.532 4.539 -0.007 1
1 770 . 12 1 1 A 67 67 CYS C C 65 174.775 174.783 -0.008 1
1 771 . 12 1 1 A 67 67 CYS CA C 65 56.102 59.897 -3.795 1
1 772 . 12 1 1 A 67 67 CYS CB C 65 45.325 28.723 16.602 1
1 773 . 12 1 1 A 67 67 CYS N N 65 115.236 116.435 -1.199 1
1 774 . 12 1 1 A 68 68 LEU H H 66 7.558 7.397 0.161 1
1 775 . 12 1 1 A 68 68 LEU HA H 66 4.520 4.425 0.095 1
1 785 . 12 1 1 A 68 68 LEU C C 66 176.765 177.027 -0.262 1
1 786 . 12 1 1 A 68 68 LEU CA C 66 55.202 54.043 1.159 1
1 787 . 12 1 1 A 68 68 LEU CB C 66 43.314 41.117 2.197 1
1 791 . 12 1 1 A 68 68 LEU N N 66 121.130 121.836 -0.706 1
1 792 . 12 1 1 A 69 69 ASN H H 67 8.306 9.591 -1.285 1
1 793 . 12 1 1 A 69 69 ASN HA H 67 4.639 4.388 0.251 1
1 798 . 12 1 1 A 69 69 ASN C C 67 174.189 175.249 -1.060 1
1 799 . 12 1 1 A 69 69 ASN CA C 67 53.654 54.693 -1.039 1
1 800 . 12 1 1 A 69 69 ASN CB C 67 38.978 37.084 1.894 1
1 801 . 12 1 1 A 69 69 ASN N N 67 120.313 123.641 -3.328 1
1 3 . 13 1 1 A 4 4 PRO HA H 2 4.490 4.840 -0.350 1
1 10 . 13 1 1 A 4 4 PRO C C 2 177.102 176.014 1.088 1
1 11 . 13 1 1 A 4 4 PRO CA C 2 63.319 62.201 1.118 1
1 12 . 13 1 1 A 4 4 PRO CB C 2 32.575 31.765 0.810 1
1 15 . 13 1 1 A 5 5 VAL H H 3 8.259 8.613 -0.354 1
1 16 . 13 1 1 A 5 5 VAL HA H 3 4.117 4.409 -0.292 1
1 24 . 13 1 1 A 5 5 VAL C C 3 176.385 175.141 1.244 1
1 25 . 13 1 1 A 5 5 VAL CA C 3 62.629 61.534 1.095 1
1 26 . 13 1 1 A 5 5 VAL CB C 3 33.146 31.008 2.138 1
1 29 . 13 1 1 A 5 5 VAL N N 3 120.806 123.806 -3.000 1
1 30 . 13 1 1 A 6 6 SER H H 4 8.345 8.425 -0.080 1
1 31 . 13 1 1 A 6 6 SER HA H 4 4.479 4.958 -0.479 1
1 34 . 13 1 1 A 6 6 SER C C 4 174.687 172.400 2.287 1
1 35 . 13 1 1 A 6 6 SER CA C 4 58.340 57.551 0.789 1
1 36 . 13 1 1 A 6 6 SER CB C 4 64.208 67.484 -3.276 1
1 37 . 13 1 1 A 6 6 SER N N 4 119.332 121.569 -2.237 1
1 38 . 13 1 1 A 7 7 LEU H H 5 8.334 8.744 -0.410 1
1 39 . 13 1 1 A 7 7 LEU HA H 5 4.384 5.288 -0.904 1
1 45 . 13 1 1 A 7 7 LEU C C 5 177.424 174.424 3.000 1
1 46 . 13 1 1 A 7 7 LEU CA C 5 55.495 53.435 2.060 1
1 47 . 13 1 1 A 7 7 LEU CB C 5 42.786 46.245 -3.459 1
1 49 . 13 1 1 A 7 7 LEU N N 5 124.942 124.053 0.889 1
1 50 . 13 1 1 A 8 8 SER H H 6 8.198 8.653 -0.455 1
1 51 . 13 1 1 A 8 8 SER HA H 6 4.407 4.645 -0.238 1
1 54 . 13 1 1 A 8 8 SER C C 6 174.306 174.026 0.280 1
1 55 . 13 1 1 A 8 8 SER CA C 6 58.696 57.230 1.466 1
1 56 . 13 1 1 A 8 8 SER CB C 6 64.136 65.157 -1.021 1
1 57 . 13 1 1 A 8 8 SER N N 6 116.070 118.405 -2.335 1
1 58 . 13 1 1 A 9 9 TYR H H 7 8.005 8.308 -0.303 1
1 59 . 13 1 1 A 9 9 TYR HA H 7 4.547 4.111 0.436 1
1 66 . 13 1 1 A 9 9 TYR C C 7 175.507 175.267 0.240 1
1 67 . 13 1 1 A 9 9 TYR CA C 7 58.236 62.272 -4.036 1
1 68 . 13 1 1 A 9 9 TYR CB C 7 39.144 36.606 2.538 1
1 71 . 13 1 1 A 9 9 TYR N N 7 122.102 121.855 0.247 1
1 72 . 13 1 1 A 10 10 ARG H H 8 8.142 8.166 -0.024 1
1 73 . 13 1 1 A 10 10 ARG HA H 8 4.302 4.297 0.005 1
1 80 . 13 1 1 A 10 10 ARG C C 8 175.946 175.830 0.116 1
1 81 . 13 1 1 A 10 10 ARG CA C 8 56.102 56.256 -0.154 1
1 82 . 13 1 1 A 10 10 ARG CB C 8 31.004 31.012 -0.008 1
1 85 . 13 1 1 A 10 10 ARG N N 8 122.105 120.015 2.090 1
1 86 . 13 1 1 A 11 11 CYS H H 9 8.185 8.704 -0.519 1
1 87 . 13 1 1 A 11 11 CYS HA H 9 4.952 4.985 -0.033 1
1 90 . 13 1 1 A 11 11 CYS CA C 9 53.192 54.706 -1.514 1
1 91 . 13 1 1 A 11 11 CYS CB C 9 40.250 43.593 -3.343 1
1 92 . 13 1 1 A 11 11 CYS N N 9 121.511 125.021 -3.510 1
1 93 . 13 1 1 A 12 12 PRO HA H 10 4.315 4.309 0.006 1
1 100 . 13 1 1 A 12 12 PRO C C 10 177.980 176.877 1.103 1
1 101 . 13 1 1 A 12 12 PRO CA C 10 65.345 65.533 -0.188 1
1 102 . 13 1 1 A 12 12 PRO CB C 10 32.575 31.324 1.251 1
1 105 . 13 1 1 A 13 13 CYS H H 11 8.719 7.729 0.990 1
1 106 . 13 1 1 A 13 13 CYS N N 11 115.047 116.034 -0.987 1
1 107 . 13 1 1 A 14 14 ARG HA H 12 4.028 4.532 -0.504 1
1 114 . 13 1 1 A 14 14 ARG C C 12 175.097 175.853 -0.756 1
1 115 . 13 1 1 A 14 14 ARG CA C 12 57.503 56.115 1.388 1
1 116 . 13 1 1 A 14 14 ARG CB C 12 31.289 31.006 0.283 1
1 119 . 13 1 1 A 15 15 PHE H H 13 7.607 7.403 0.204 1
1 120 . 13 1 1 A 15 15 PHE HA H 13 4.497 5.408 -0.911 1
1 127 . 13 1 1 A 15 15 PHE C C 13 174.292 173.264 1.028 1
1 128 . 13 1 1 A 15 15 PHE CA C 13 56.060 55.558 0.502 1
1 129 . 13 1 1 A 15 15 PHE CB C 13 41.122 43.013 -1.891 1
1 132 . 13 1 1 A 15 15 PHE N N 13 116.487 116.082 0.405 1
1 133 . 13 1 1 A 16 16 PHE H H 14 8.202 9.218 -1.016 1
1 134 . 13 1 1 A 16 16 PHE HA H 14 4.793 6.010 -1.217 1
1 141 . 13 1 1 A 16 16 PHE C C 14 175.433 172.565 2.868 1
1 142 . 13 1 1 A 16 16 PHE CA C 14 55.516 55.098 0.418 1
1 143 . 13 1 1 A 16 16 PHE CB C 14 41.096 42.615 -1.519 1
1 146 . 13 1 1 A 16 16 PHE N N 14 119.591 116.110 3.481 1
1 147 . 13 1 1 A 17 17 GLU H H 15 8.749 9.302 -0.553 1
1 148 . 13 1 1 A 17 17 GLU HA H 15 4.579 4.447 0.132 1
1 153 . 13 1 1 A 17 17 GLU C C 15 176.809 176.155 0.654 1
1 154 . 13 1 1 A 17 17 GLU CA C 15 56.395 56.656 -0.261 1
1 155 . 13 1 1 A 17 17 GLU CB C 15 30.932 30.527 0.405 1
1 157 . 13 1 1 A 17 17 GLU N N 15 122.719 122.324 0.395 1
1 158 . 13 1 1 A 18 18 SER H H 16 8.764 8.674 0.090 1
1 159 . 13 1 1 A 18 18 SER HA H 16 4.697 4.683 0.014 1
1 162 . 13 1 1 A 18 18 SER CA C 16 59.637 59.818 -0.181 1
1 163 . 13 1 1 A 18 18 SER CB C 16 64.708 63.769 0.939 1
1 164 . 13 1 1 A 18 18 SER N N 16 118.765 121.930 -3.165 1
1 165 . 13 1 1 A 19 19 HIS H H 17 8.617 7.972 0.645 1
1 166 . 13 1 1 A 19 19 HIS HA H 17 4.770 4.520 0.250 1
1 171 . 13 1 1 A 19 19 HIS C C 17 174.658 175.106 -0.448 1
1 172 . 13 1 1 A 19 19 HIS CA C 17 56.750 57.455 -0.705 1
1 173 . 13 1 1 A 19 19 HIS CB C 17 29.718 30.378 -0.660 1
1 176 . 13 1 1 A 19 19 HIS N N 17 119.651 121.130 -1.479 1
1 177 . 13 1 1 A 20 20 VAL H H 18 7.360 7.576 -0.216 1
1 178 . 13 1 1 A 20 20 VAL HA H 18 4.100 3.927 0.173 1
1 186 . 13 1 1 A 20 20 VAL C C 18 174.424 174.491 -0.067 1
1 187 . 13 1 1 A 20 20 VAL CA C 18 62.252 62.886 -0.634 1
1 188 . 13 1 1 A 20 20 VAL CB C 18 34.146 32.542 1.604 1
1 191 . 13 1 1 A 20 20 VAL N N 18 121.352 119.778 1.574 1
1 192 . 13 1 1 A 21 21 ALA H H 19 8.570 8.106 0.464 1
1 193 . 13 1 1 A 21 21 ALA HA H 19 4.345 4.830 -0.485 1
1 197 . 13 1 1 A 21 21 ALA C C 19 177.570 177.698 -0.128 1
1 198 . 13 1 1 A 21 21 ALA CA C 19 50.997 50.976 0.021 1
1 199 . 13 1 1 A 21 21 ALA CB C 19 19.579 21.944 -2.365 1
1 200 . 13 1 1 A 21 21 ALA N N 19 131.401 131.063 0.338 1
1 201 . 13 1 1 A 22 22 ARG H H 20 7.838 8.138 -0.300 1
1 202 . 13 1 1 A 22 22 ARG HA H 20 2.545 3.045 -0.500 1
1 209 . 13 1 1 A 22 22 ARG C C 20 178.258 177.424 0.834 1
1 210 . 13 1 1 A 22 22 ARG CA C 20 59.407 58.443 0.964 1
1 211 . 13 1 1 A 22 22 ARG CB C 20 29.433 28.984 0.449 1
1 214 . 13 1 1 A 22 22 ARG N N 20 124.465 122.104 2.361 1
1 215 . 13 1 1 A 23 23 ALA H H 21 8.203 7.609 0.594 1
1 216 . 13 1 1 A 23 23 ALA HA H 21 4.069 4.004 0.065 1
1 220 . 13 1 1 A 23 23 ALA C C 21 177.995 179.350 -1.355 1
1 221 . 13 1 1 A 23 23 ALA CA C 21 54.000 53.981 0.019 1
1 222 . 13 1 1 A 23 23 ALA CB C 21 18.722 18.175 0.547 1
1 223 . 13 1 1 A 23 23 ALA N N 21 117.242 121.533 -4.291 1
1 224 . 13 1 1 A 24 24 ASN H H 22 7.739 7.920 -0.181 1
1 225 . 13 1 1 A 24 24 ASN HA H 22 4.988 4.677 0.311 1
1 230 . 13 1 1 A 24 24 ASN C C 22 174.848 175.588 -0.740 1
1 231 . 13 1 1 A 24 24 ASN CA C 22 52.509 54.813 -2.304 1
1 232 . 13 1 1 A 24 24 ASN CB C 22 40.358 39.439 0.919 1
1 233 . 13 1 1 A 24 24 ASN N N 22 112.861 116.089 -3.228 1
1 235 . 13 1 1 A 25 25 VAL H H 23 7.524 7.337 0.187 1
1 236 . 13 1 1 A 25 25 VAL HA H 23 4.272 4.044 0.228 1
1 244 . 13 1 1 A 25 25 VAL C C 23 175.755 175.398 0.357 1
1 245 . 13 1 1 A 25 25 VAL CA C 23 62.859 63.561 -0.702 1
1 246 . 13 1 1 A 25 25 VAL CB C 23 33.432 31.947 1.485 1
1 249 . 13 1 1 A 25 25 VAL N N 23 119.883 119.304 0.579 1
1 250 . 13 1 1 A 26 26 LYS H H 24 9.527 9.392 0.135 1
1 251 . 13 1 1 A 26 26 LYS HA H 24 4.298 4.327 -0.029 1
1 260 . 13 1 1 A 26 26 LYS C C 24 176.634 176.704 -0.070 1
1 261 . 13 1 1 A 26 26 LYS CA C 24 58.989 57.894 1.095 1
1 262 . 13 1 1 A 26 26 LYS CB C 24 34.390 33.048 1.342 1
1 266 . 13 1 1 A 26 26 LYS N N 24 128.312 127.160 1.152 1
1 267 . 13 1 1 A 27 27 HIS H H 25 7.214 7.537 -0.323 1
1 268 . 13 1 1 A 27 27 HIS HA H 25 4.965 5.498 -0.533 1
1 273 . 13 1 1 A 27 27 HIS C C 25 172.740 172.661 0.079 1
1 274 . 13 1 1 A 27 27 HIS CA C 25 55.328 54.875 0.453 1
1 275 . 13 1 1 A 27 27 HIS CB C 25 32.882 31.565 1.317 1
1 278 . 13 1 1 A 27 27 HIS N N 25 109.505 113.596 -4.091 1
1 279 . 13 1 1 A 28 28 LEU H H 26 8.066 8.895 -0.829 1
1 280 . 13 1 1 A 28 28 LEU HA H 26 5.156 5.480 -0.324 1
1 290 . 13 1 1 A 28 28 LEU C C 26 175.346 175.362 -0.016 1
1 291 . 13 1 1 A 28 28 LEU CA C 26 53.466 53.264 0.202 1
1 292 . 13 1 1 A 28 28 LEU CB C 26 45.200 45.242 -0.042 1
1 296 . 13 1 1 A 28 28 LEU N N 26 116.963 119.936 -2.973 1
1 297 . 13 1 1 A 29 29 LYS H H 27 9.549 9.226 0.323 1
1 298 . 13 1 1 A 29 29 LYS HA H 27 5.353 5.218 0.135 1
1 307 . 13 1 1 A 29 29 LYS C C 27 174.716 174.660 0.056 1
1 308 . 13 1 1 A 29 29 LYS CA C 27 55.118 54.711 0.407 1
1 309 . 13 1 1 A 29 29 LYS CB C 27 35.144 35.654 -0.510 1
1 313 . 13 1 1 A 29 29 LYS N N 27 123.299 122.935 0.364 1
1 314 . 13 1 1 A 30 30 ILE H H 28 9.140 8.967 0.173 1
1 315 . 13 1 1 A 30 30 ILE HA H 28 4.910 5.143 -0.233 1
1 325 . 13 1 1 A 30 30 ILE C C 28 176.970 174.581 2.389 1
1 326 . 13 1 1 A 30 30 ILE CA C 28 60.390 59.631 0.759 1
1 327 . 13 1 1 A 30 30 ILE CB C 28 39.603 38.456 1.147 1
1 331 . 13 1 1 A 30 30 ILE N N 28 123.823 127.851 -4.028 1
1 332 . 13 1 1 A 31 31 LEU H H 29 8.866 9.265 -0.399 1
1 333 . 13 1 1 A 31 31 LEU HA H 29 4.580 4.715 -0.135 1
1 342 . 13 1 1 A 31 31 LEU C C 29 175.975 175.568 0.407 1
1 343 . 13 1 1 A 31 31 LEU CA C 29 55.474 53.898 1.576 1
1 344 . 13 1 1 A 31 31 LEU CB C 29 42.749 43.346 -0.597 1
1 347 . 13 1 1 A 31 31 LEU N N 29 128.835 128.862 -0.027 1
1 348 . 13 1 1 A 32 32 ASN H H 30 8.211 8.767 -0.556 1
1 349 . 13 1 1 A 32 32 ASN HA H 30 4.998 4.966 0.032 1
1 354 . 13 1 1 A 32 32 ASN C C 30 174.658 174.511 0.147 1
1 355 . 13 1 1 A 32 32 ASN CA C 30 52.524 52.267 0.257 1
1 356 . 13 1 1 A 32 32 ASN CB C 30 38.978 39.002 -0.024 1
1 357 . 13 1 1 A 32 32 ASN N N 30 120.696 123.921 -3.225 1
1 359 . 13 1 1 A 33 33 THR H H 31 7.925 8.226 -0.301 1
1 360 . 13 1 1 A 33 33 THR HA H 31 4.784 5.094 -0.310 1
1 365 . 13 1 1 A 33 33 THR CA C 31 58.046 58.288 -0.242 1
1 366 . 13 1 1 A 33 33 THR CB C 31 70.341 70.955 -0.614 1
1 368 . 13 1 1 A 33 33 THR N N 31 116.303 117.460 -1.157 1
1 369 . 13 1 1 A 34 34 PRO HA H 32 4.300 4.477 -0.177 1
1 376 . 13 1 1 A 34 34 PRO C C 32 176.765 176.452 0.313 1
1 377 . 13 1 1 A 34 34 PRO CA C 32 65.164 63.913 1.251 1
1 378 . 13 1 1 A 34 34 PRO CB C 32 32.484 32.392 0.092 1
1 381 . 13 1 1 A 35 35 ASN H H 33 8.294 8.079 0.215 1
1 382 . 13 1 1 A 35 35 ASN C C 33 174.541 174.664 -0.123 1
1 383 . 13 1 1 A 35 35 ASN N N 33 120.212 115.998 4.214 1
1 384 . 13 1 1 A 36 36 CYS H H 34 7.561 7.677 -0.116 1
1 385 . 13 1 1 A 36 36 CYS HA H 34 4.884 5.037 -0.153 1
1 388 . 13 1 1 A 36 36 CYS C C 34 173.838 172.884 0.954 1
1 389 . 13 1 1 A 36 36 CYS CA C 34 55.139 54.789 0.350 1
1 390 . 13 1 1 A 36 36 CYS CB C 34 45.200 48.164 -2.964 1
1 391 . 13 1 1 A 36 36 CYS N N 34 116.986 116.041 0.945 1
1 392 . 13 1 1 A 37 37 ALA H H 35 8.520 8.523 -0.003 1
1 393 . 13 1 1 A 37 37 ALA HA H 35 4.233 4.370 -0.137 1
1 397 . 13 1 1 A 37 37 ALA C C 35 176.326 177.237 -0.911 1
1 398 . 13 1 1 A 37 37 ALA CA C 35 53.152 51.152 2.000 1
1 399 . 13 1 1 A 37 37 ALA CB C 35 18.930 19.887 -0.957 1
1 400 . 13 1 1 A 37 37 ALA N N 35 125.167 124.723 0.444 1
1 401 . 13 1 1 A 38 38 CYS H H 36 8.343 8.345 -0.002 1
1 402 . 13 1 1 A 38 38 CYS HA H 36 4.213 4.183 0.030 1
1 405 . 13 1 1 A 38 38 CYS C C 36 173.589 174.019 -0.430 1
1 406 . 13 1 1 A 38 38 CYS CA C 36 58.487 59.529 -1.042 1
1 407 . 13 1 1 A 38 38 CYS CB C 36 45.702 28.029 17.673 1
1 408 . 13 1 1 A 38 38 CYS N N 36 118.786 118.447 0.339 1
1 409 . 13 1 1 A 39 39 GLN H H 37 8.988 8.658 0.330 1
1 410 . 13 1 1 A 39 39 GLN HA H 37 4.573 4.683 -0.110 1
1 417 . 13 1 1 A 39 39 GLN C C 37 173.545 174.807 -1.262 1
1 418 . 13 1 1 A 39 39 GLN CA C 37 54.491 55.712 -1.221 1
1 419 . 13 1 1 A 39 39 GLN CB C 37 31.876 29.501 2.375 1
1 421 . 13 1 1 A 39 39 GLN N N 37 128.825 127.652 1.173 1
1 423 . 13 1 1 A 40 40 ILE H H 38 8.967 8.874 0.093 1
1 424 . 13 1 1 A 40 40 ILE HA H 38 5.095 4.997 0.098 1
1 434 . 13 1 1 A 40 40 ILE C C 38 174.336 174.655 -0.319 1
1 435 . 13 1 1 A 40 40 ILE CA C 38 60.620 59.870 0.750 1
1 436 . 13 1 1 A 40 40 ILE CB C 38 40.235 40.908 -0.673 1
1 440 . 13 1 1 A 40 40 ILE N N 38 124.006 125.244 -1.238 1
1 441 . 13 1 1 A 41 41 VAL H H 39 9.130 9.301 -0.171 1
1 442 . 13 1 1 A 41 41 VAL HA H 39 4.926 4.942 -0.016 1
1 450 . 13 1 1 A 41 41 VAL C C 39 175.492 174.421 1.071 1
1 451 . 13 1 1 A 41 41 VAL CA C 39 59.993 61.023 -1.030 1
1 452 . 13 1 1 A 41 41 VAL CB C 39 35.270 34.289 0.981 1
1 455 . 13 1 1 A 41 41 VAL N N 39 125.973 127.655 -1.682 1
1 456 . 13 1 1 A 42 42 ALA H H 40 9.558 9.052 0.506 1
1 457 . 13 1 1 A 42 42 ALA HA H 40 5.123 5.326 -0.203 1
1 461 . 13 1 1 A 42 42 ALA C C 40 175.931 175.290 0.641 1
1 462 . 13 1 1 A 42 42 ALA CA C 40 50.558 50.056 0.502 1
1 463 . 13 1 1 A 42 42 ALA CB C 40 22.072 21.410 0.662 1
1 464 . 13 1 1 A 42 42 ALA N N 40 128.264 129.131 -0.867 1
1 465 . 13 1 1 A 43 43 ARG H H 41 7.707 8.659 -0.952 1
1 466 . 13 1 1 A 43 43 ARG HA H 41 4.966 5.133 -0.167 1
1 473 . 13 1 1 A 43 43 ARG C C 41 175.477 175.108 0.369 1
1 474 . 13 1 1 A 43 43 ARG CA C 41 54.000 54.503 -0.503 1
1 475 . 13 1 1 A 43 43 ARG CB C 41 31.122 32.066 -0.944 1
1 478 . 13 1 1 A 43 43 ARG N N 41 121.647 123.384 -1.737 1
1 479 . 13 1 1 A 44 44 LEU H H 42 9.183 9.289 -0.106 1
1 480 . 13 1 1 A 44 44 LEU HA H 42 5.009 5.096 -0.087 1
1 490 . 13 1 1 A 44 44 LEU C C 42 177.848 178.479 -0.631 1
1 491 . 13 1 1 A 44 44 LEU CA C 42 54.596 53.928 0.668 1
1 492 . 13 1 1 A 44 44 LEU CB C 42 41.806 42.136 -0.330 1
1 496 . 13 1 1 A 44 44 LEU N N 42 128.821 127.906 0.915 1
1 497 . 13 1 1 A 45 45 LYS H H 43 8.449 8.839 -0.390 1
1 498 . 13 1 1 A 45 45 LYS N N 43 119.659 121.565 -1.906 1
1 499 . 13 1 1 A 48 48 ASN HA H 46 4.716 5.025 -0.309 1
1 504 . 13 1 1 A 48 48 ASN C C 46 175.155 175.277 -0.122 1
1 505 . 13 1 1 A 48 48 ASN CA C 46 54.616 51.774 2.842 1
1 506 . 13 1 1 A 48 48 ASN CB C 46 39.292 39.507 -0.215 1
1 508 . 13 1 1 A 49 49 ARG H H 47 7.926 8.058 -0.132 1
1 509 . 13 1 1 A 49 49 ARG HA H 47 4.274 3.872 0.402 1
1 516 . 13 1 1 A 49 49 ARG C C 47 175.433 175.624 -0.191 1
1 517 . 13 1 1 A 49 49 ARG CA C 47 57.252 58.519 -1.267 1
1 518 . 13 1 1 A 49 49 ARG CB C 47 32.128 28.831 3.297 1
1 521 . 13 1 1 A 49 49 ARG N N 47 120.086 115.570 4.516 1
1 522 . 13 1 1 A 50 50 GLN H H 48 8.542 7.925 0.617 1
1 523 . 13 1 1 A 50 50 GLN HA H 48 5.478 4.950 0.528 1
1 528 . 13 1 1 A 50 50 GLN C C 48 175.697 175.196 0.501 1
1 529 . 13 1 1 A 50 50 GLN CA C 48 55.077 54.552 0.525 1
1 530 . 13 1 1 A 50 50 GLN CB C 48 31.751 31.561 0.190 1
1 532 . 13 1 1 A 50 50 GLN N N 48 120.774 118.309 2.465 1
1 533 . 13 1 1 A 51 51 VAL H H 49 8.710 9.070 -0.360 1
1 534 . 13 1 1 A 51 51 VAL HA H 49 4.781 4.906 -0.125 1
1 542 . 13 1 1 A 51 51 VAL C C 49 175.185 173.794 1.391 1
1 543 . 13 1 1 A 51 51 VAL CA C 49 59.344 58.944 0.400 1
1 544 . 13 1 1 A 51 51 VAL CB C 49 36.024 35.739 0.285 1
1 547 . 13 1 1 A 51 51 VAL N N 49 117.392 118.808 -1.416 1
1 548 . 13 1 1 A 52 52 CYS H H 50 9.184 8.581 0.603 1
1 549 . 13 1 1 A 52 52 CYS HA H 50 5.313 5.258 0.055 1
1 552 . 13 1 1 A 52 52 CYS C C 50 174.380 173.291 1.089 1
1 553 . 13 1 1 A 52 52 CYS CA C 50 57.984 54.183 3.801 1
1 554 . 13 1 1 A 52 52 CYS CB C 50 42.661 43.433 -0.772 1
1 555 . 13 1 1 A 52 52 CYS N N 50 124.238 119.735 4.503 1
1 556 . 13 1 1 A 53 53 ILE H H 51 8.434 9.360 -0.926 1
1 557 . 13 1 1 A 53 53 ILE HA H 51 4.928 5.270 -0.342 1
1 567 . 13 1 1 A 53 53 ILE C C 51 172.931 173.664 -0.733 1
1 568 . 13 1 1 A 53 53 ILE CA C 51 58.675 58.950 -0.275 1
1 569 . 13 1 1 A 53 53 ILE CB C 51 42.309 41.772 0.537 1
1 573 . 13 1 1 A 53 53 ILE N N 51 122.034 119.662 2.372 1
1 574 . 13 1 1 A 54 54 ASP H H 52 7.702 8.580 -0.878 1
1 575 . 13 1 1 A 54 54 ASP HA H 52 3.426 4.945 -1.519 1
1 578 . 13 1 1 A 54 54 ASP CA C 52 51.251 50.902 0.349 1
1 579 . 13 1 1 A 54 54 ASP CB C 52 42.515 44.259 -1.744 1
1 580 . 13 1 1 A 54 54 ASP N N 52 125.815 121.123 4.692 1
1 581 . 13 1 1 A 55 55 PRO HA H 53 3.986 4.224 -0.238 1
1 588 . 13 1 1 A 55 55 PRO C C 53 176.034 177.486 -1.452 1
1 589 . 13 1 1 A 55 55 PRO CA C 53 63.947 63.954 -0.007 1
1 590 . 13 1 1 A 55 55 PRO CB C 53 33.000 31.532 1.468 1
1 593 . 13 1 1 A 56 56 LYS H H 54 7.889 8.263 -0.374 1
1 594 . 13 1 1 A 56 56 LYS HA H 54 3.993 3.994 -0.001 1
1 603 . 13 1 1 A 56 56 LYS C C 54 177.922 176.974 0.948 1
1 604 . 13 1 1 A 56 56 LYS CA C 54 56.729 58.114 -1.385 1
1 605 . 13 1 1 A 56 56 LYS CB C 54 31.751 32.255 -0.504 1
1 609 . 13 1 1 A 56 56 LYS N N 54 112.456 117.601 -5.145 1
1 610 . 13 1 1 A 57 57 LEU H H 55 7.157 7.162 -0.005 1
1 611 . 13 1 1 A 57 57 LEU HA H 55 4.040 4.176 -0.136 1
1 621 . 13 1 1 A 57 57 LEU C C 55 179.268 177.144 2.124 1
1 622 . 13 1 1 A 57 57 LEU CA C 55 55.997 54.859 1.138 1
1 623 . 13 1 1 A 57 57 LEU CB C 55 42.309 41.468 0.841 1
1 627 . 13 1 1 A 57 57 LEU N N 55 120.452 120.621 -0.169 1
1 628 . 13 1 1 A 58 58 LYS H H 56 8.731 8.832 -0.101 1
1 629 . 13 1 1 A 58 58 LYS HA H 56 3.913 3.915 -0.002 1
1 638 . 13 1 1 A 58 58 LYS C C 56 178.917 178.293 0.624 1
1 639 . 13 1 1 A 58 58 LYS CA C 56 60.202 59.399 0.803 1
1 640 . 13 1 1 A 58 58 LYS CB C 56 32.253 32.207 0.046 1
1 644 . 13 1 1 A 58 58 LYS N N 56 125.307 125.214 0.093 1
1 645 . 13 1 1 A 59 59 TRP H H 57 7.884 8.205 -0.321 1
1 646 . 13 1 1 A 59 59 TRP HA H 57 4.637 4.777 -0.140 1
1 654 . 13 1 1 A 59 59 TRP C C 57 178.829 179.494 -0.665 1
1 655 . 13 1 1 A 59 59 TRP CA C 57 58.779 59.935 -1.156 1
1 656 . 13 1 1 A 59 59 TRP CB C 57 27.854 28.054 -0.200 1
1 662 . 13 1 1 A 59 59 TRP N N 57 113.503 119.070 -5.567 1
1 663 . 13 1 1 A 60 60 ILE H H 58 6.449 7.508 -1.059 1
1 664 . 13 1 1 A 60 60 ILE HA H 58 3.284 3.246 0.038 1
1 674 . 13 1 1 A 60 60 ILE C C 58 177.687 177.871 -0.184 1
1 675 . 13 1 1 A 60 60 ILE CA C 58 64.177 64.965 -0.788 1
1 676 . 13 1 1 A 60 60 ILE CB C 58 35.710 37.409 -1.699 1
1 680 . 13 1 1 A 60 60 ILE N N 58 124.379 122.339 2.040 1
1 681 . 13 1 1 A 61 61 GLN H H 59 7.646 7.603 0.043 1
1 682 . 13 1 1 A 61 61 GLN HA H 59 3.738 4.049 -0.311 1
1 689 . 13 1 1 A 61 61 GLN C C 59 178.361 179.038 -0.677 1
1 690 . 13 1 1 A 61 61 GLN CA C 59 59.302 59.063 0.239 1
1 691 . 13 1 1 A 61 61 GLN CB C 59 28.357 27.890 0.467 1
1 693 . 13 1 1 A 61 61 GLN N N 59 118.966 118.129 0.837 1
1 695 . 13 1 1 A 62 62 GLU H H 60 8.075 7.636 0.439 1
1 696 . 13 1 1 A 62 62 GLU HA H 60 4.076 4.078 -0.002 1
1 701 . 13 1 1 A 62 62 GLU C C 60 179.019 178.579 0.440 1
1 702 . 13 1 1 A 62 62 GLU CA C 60 59.637 59.049 0.588 1
1 703 . 13 1 1 A 62 62 GLU CB C 60 30.368 29.554 0.814 1
1 705 . 13 1 1 A 62 62 GLU N N 60 117.105 121.070 -3.965 1
1 706 . 13 1 1 A 63 63 TYR H H 61 7.922 8.169 -0.247 1
1 707 . 13 1 1 A 63 63 TYR HA H 61 4.237 4.284 -0.047 1
1 714 . 13 1 1 A 63 63 TYR C C 61 178.551 177.813 0.738 1
1 715 . 13 1 1 A 63 63 TYR CA C 61 61.206 61.417 -0.211 1
1 716 . 13 1 1 A 63 63 TYR CB C 61 39.669 38.995 0.674 1
1 719 . 13 1 1 A 63 63 TYR N N 61 121.402 122.539 -1.137 1
1 720 . 13 1 1 A 64 64 LEU H H 62 8.227 7.853 0.374 1
1 721 . 13 1 1 A 64 64 LEU HA H 62 3.957 4.199 -0.242 1
1 731 . 13 1 1 A 64 64 LEU C C 62 179.458 178.921 0.537 1
1 732 . 13 1 1 A 64 64 LEU CA C 62 57.880 58.170 -0.290 1
1 733 . 13 1 1 A 64 64 LEU CB C 62 42.434 41.174 1.260 1
1 737 . 13 1 1 A 64 64 LEU N N 62 116.209 119.630 -3.421 1
1 738 . 13 1 1 A 65 65 GLU H H 63 8.472 8.262 0.210 1
1 739 . 13 1 1 A 65 65 GLU HA H 63 3.827 4.105 -0.278 1
1 744 . 13 1 1 A 65 65 GLU C C 63 179.166 178.158 1.008 1
1 745 . 13 1 1 A 65 65 GLU CA C 63 60.265 58.985 1.280 1
1 746 . 13 1 1 A 65 65 GLU CB C 63 29.739 29.471 0.268 1
1 748 . 13 1 1 A 65 65 GLU N N 63 118.559 119.038 -0.479 1
1 749 . 13 1 1 A 66 66 LYS H H 64 7.554 7.674 -0.120 1
1 750 . 13 1 1 A 66 66 LYS HA H 64 4.215 4.235 -0.020 1
1 759 . 13 1 1 A 66 66 LYS C C 64 178.302 177.693 0.609 1
1 760 . 13 1 1 A 66 66 LYS CA C 64 58.481 57.478 1.003 1
1 761 . 13 1 1 A 66 66 LYS CB C 64 32.505 32.282 0.223 1
1 765 . 13 1 1 A 66 66 LYS N N 64 117.056 117.946 -0.890 1
1 766 . 13 1 1 A 67 67 CYS H H 65 7.918 7.889 0.029 1
1 767 . 13 1 1 A 67 67 CYS HA H 65 4.532 4.525 0.007 1
1 770 . 13 1 1 A 67 67 CYS C C 65 174.775 175.091 -0.316 1
1 771 . 13 1 1 A 67 67 CYS CA C 65 56.102 60.998 -4.896 1
1 772 . 13 1 1 A 67 67 CYS CB C 65 45.325 28.840 16.485 1
1 773 . 13 1 1 A 67 67 CYS N N 65 115.236 116.498 -1.262 1
1 774 . 13 1 1 A 68 68 LEU H H 66 7.558 7.173 0.385 1
1 775 . 13 1 1 A 68 68 LEU HA H 66 4.520 4.369 0.151 1
1 785 . 13 1 1 A 68 68 LEU C C 66 176.765 177.106 -0.341 1
1 786 . 13 1 1 A 68 68 LEU CA C 66 55.202 54.650 0.552 1
1 787 . 13 1 1 A 68 68 LEU CB C 66 43.314 41.102 2.212 1
1 791 . 13 1 1 A 68 68 LEU N N 66 121.130 121.412 -0.282 1
1 792 . 13 1 1 A 69 69 ASN H H 67 8.306 8.971 -0.665 1
1 793 . 13 1 1 A 69 69 ASN HA H 67 4.639 4.282 0.357 1
1 798 . 13 1 1 A 69 69 ASN C C 67 174.189 174.135 0.054 1
1 799 . 13 1 1 A 69 69 ASN CA C 67 53.654 55.622 -1.968 1
1 800 . 13 1 1 A 69 69 ASN CB C 67 38.978 36.103 2.875 1
1 801 . 13 1 1 A 69 69 ASN N N 67 120.313 119.315 0.998 1
1 3 . 14 1 1 A 4 4 PRO HA H 2 4.490 4.820 -0.330 1
1 10 . 14 1 1 A 4 4 PRO C C 2 177.102 176.379 0.723 1
1 11 . 14 1 1 A 4 4 PRO CA C 2 63.319 62.417 0.902 1
1 12 . 14 1 1 A 4 4 PRO CB C 2 32.575 31.676 0.899 1
1 15 . 14 1 1 A 5 5 VAL H H 3 8.259 8.327 -0.068 1
1 16 . 14 1 1 A 5 5 VAL HA H 3 4.117 4.828 -0.711 1
1 24 . 14 1 1 A 5 5 VAL C C 3 176.385 174.495 1.890 1
1 25 . 14 1 1 A 5 5 VAL CA C 3 62.629 59.315 3.314 1
1 26 . 14 1 1 A 5 5 VAL CB C 3 33.146 34.168 -1.022 1
1 29 . 14 1 1 A 5 5 VAL N N 3 120.806 117.822 2.984 1
1 30 . 14 1 1 A 6 6 SER H H 4 8.345 8.835 -0.490 1
1 31 . 14 1 1 A 6 6 SER HA H 4 4.479 4.925 -0.446 1
1 34 . 14 1 1 A 6 6 SER C C 4 174.687 174.715 -0.028 1
1 35 . 14 1 1 A 6 6 SER CA C 4 58.340 56.922 1.418 1
1 36 . 14 1 1 A 6 6 SER CB C 4 64.208 62.900 1.308 1
1 37 . 14 1 1 A 6 6 SER N N 4 119.332 117.758 1.574 1
1 38 . 14 1 1 A 7 7 LEU H H 5 8.334 8.036 0.298 1
1 39 . 14 1 1 A 7 7 LEU HA H 5 4.384 4.497 -0.113 1
1 45 . 14 1 1 A 7 7 LEU C C 5 177.424 175.583 1.841 1
1 46 . 14 1 1 A 7 7 LEU CA C 5 55.495 54.427 1.068 1
1 47 . 14 1 1 A 7 7 LEU CB C 5 42.786 42.596 0.190 1
1 49 . 14 1 1 A 7 7 LEU N N 5 124.942 122.152 2.790 1
1 50 . 14 1 1 A 8 8 SER H H 6 8.198 7.602 0.596 1
1 51 . 14 1 1 A 8 8 SER HA H 6 4.407 4.740 -0.333 1
1 54 . 14 1 1 A 8 8 SER C C 6 174.306 173.487 0.819 1
1 55 . 14 1 1 A 8 8 SER CA C 6 58.696 56.459 2.237 1
1 56 . 14 1 1 A 8 8 SER CB C 6 64.136 66.206 -2.070 1
1 57 . 14 1 1 A 8 8 SER N N 6 116.070 112.121 3.949 1
1 58 . 14 1 1 A 9 9 TYR H H 7 8.005 8.514 -0.509 1
1 59 . 14 1 1 A 9 9 TYR HA H 7 4.547 4.703 -0.156 1
1 66 . 14 1 1 A 9 9 TYR C C 7 175.507 175.221 0.286 1
1 67 . 14 1 1 A 9 9 TYR CA C 7 58.236 57.098 1.138 1
1 68 . 14 1 1 A 9 9 TYR CB C 7 39.144 37.524 1.620 1
1 71 . 14 1 1 A 9 9 TYR N N 7 122.102 118.439 3.663 1
1 72 . 14 1 1 A 10 10 ARG H H 8 8.142 7.633 0.509 1
1 73 . 14 1 1 A 10 10 ARG HA H 8 4.302 4.777 -0.475 1
1 80 . 14 1 1 A 10 10 ARG C C 8 175.946 174.771 1.175 1
1 81 . 14 1 1 A 10 10 ARG CA C 8 56.102 54.702 1.400 1
1 82 . 14 1 1 A 10 10 ARG CB C 8 31.004 31.693 -0.689 1
1 85 . 14 1 1 A 10 10 ARG N N 8 122.105 121.113 0.992 1
1 86 . 14 1 1 A 11 11 CYS H H 9 8.185 8.687 -0.502 1
1 87 . 14 1 1 A 11 11 CYS HA H 9 4.952 5.049 -0.097 1
1 90 . 14 1 1 A 11 11 CYS CA C 9 53.192 54.516 -1.324 1
1 91 . 14 1 1 A 11 11 CYS CB C 9 40.250 43.634 -3.384 1
1 92 . 14 1 1 A 11 11 CYS N N 9 121.511 125.010 -3.499 1
1 93 . 14 1 1 A 12 12 PRO HA H 10 4.315 4.311 0.004 1
1 100 . 14 1 1 A 12 12 PRO C C 10 177.980 176.461 1.519 1
1 101 . 14 1 1 A 12 12 PRO CA C 10 65.345 64.840 0.505 1
1 102 . 14 1 1 A 12 12 PRO CB C 10 32.575 31.746 0.829 1
1 105 . 14 1 1 A 13 13 CYS H H 11 8.719 8.189 0.530 1
1 106 . 14 1 1 A 13 13 CYS N N 11 115.047 117.027 -1.980 1
1 107 . 14 1 1 A 14 14 ARG HA H 12 4.028 4.485 -0.457 1
1 114 . 14 1 1 A 14 14 ARG C C 12 175.097 175.837 -0.740 1
1 115 . 14 1 1 A 14 14 ARG CA C 12 57.503 56.905 0.598 1
1 116 . 14 1 1 A 14 14 ARG CB C 12 31.289 32.790 -1.501 1
1 119 . 14 1 1 A 15 15 PHE H H 13 7.607 8.154 -0.547 1
1 120 . 14 1 1 A 15 15 PHE HA H 13 4.497 5.114 -0.617 1
1 127 . 14 1 1 A 15 15 PHE C C 13 174.292 175.202 -0.910 1
1 128 . 14 1 1 A 15 15 PHE CA C 13 56.060 56.644 -0.584 1
1 129 . 14 1 1 A 15 15 PHE CB C 13 41.122 41.607 -0.485 1
1 132 . 14 1 1 A 15 15 PHE N N 13 116.487 115.777 0.710 1
1 133 . 14 1 1 A 16 16 PHE H H 14 8.202 9.181 -0.979 1
1 134 . 14 1 1 A 16 16 PHE HA H 14 4.793 6.211 -1.418 1
1 141 . 14 1 1 A 16 16 PHE C C 14 175.433 173.813 1.620 1
1 142 . 14 1 1 A 16 16 PHE CA C 14 55.516 55.029 0.487 1
1 143 . 14 1 1 A 16 16 PHE CB C 14 41.096 42.355 -1.259 1
1 146 . 14 1 1 A 16 16 PHE N N 14 119.591 118.301 1.290 1
1 147 . 14 1 1 A 17 17 GLU H H 15 8.749 9.160 -0.411 1
1 148 . 14 1 1 A 17 17 GLU HA H 15 4.579 4.266 0.313 1
1 153 . 14 1 1 A 17 17 GLU C C 15 176.809 177.335 -0.526 1
1 154 . 14 1 1 A 17 17 GLU CA C 15 56.395 56.446 -0.051 1
1 155 . 14 1 1 A 17 17 GLU CB C 15 30.932 31.031 -0.099 1
1 157 . 14 1 1 A 17 17 GLU N N 15 122.719 122.282 0.437 1
1 158 . 14 1 1 A 18 18 SER H H 16 8.764 8.578 0.186 1
1 159 . 14 1 1 A 18 18 SER HA H 16 4.697 4.788 -0.091 1
1 162 . 14 1 1 A 18 18 SER CA C 16 59.637 58.082 1.555 1
1 163 . 14 1 1 A 18 18 SER CB C 16 64.708 63.806 0.902 1
1 164 . 14 1 1 A 18 18 SER N N 16 118.765 119.473 -0.708 1
1 165 . 14 1 1 A 19 19 HIS H H 17 8.617 7.863 0.754 1
1 166 . 14 1 1 A 19 19 HIS HA H 17 4.770 4.820 -0.050 1
1 171 . 14 1 1 A 19 19 HIS C C 17 174.658 174.295 0.363 1
1 172 . 14 1 1 A 19 19 HIS CA C 17 56.750 54.809 1.941 1
1 173 . 14 1 1 A 19 19 HIS CB C 17 29.718 30.544 -0.826 1
1 176 . 14 1 1 A 19 19 HIS N N 17 119.651 121.921 -2.270 1
1 177 . 14 1 1 A 20 20 VAL H H 18 7.360 7.691 -0.331 1
1 178 . 14 1 1 A 20 20 VAL HA H 18 4.100 4.296 -0.196 1
1 186 . 14 1 1 A 20 20 VAL C C 18 174.424 174.895 -0.471 1
1 187 . 14 1 1 A 20 20 VAL CA C 18 62.252 61.390 0.862 1
1 188 . 14 1 1 A 20 20 VAL CB C 18 34.146 33.222 0.924 1
1 191 . 14 1 1 A 20 20 VAL N N 18 121.352 120.394 0.958 1
1 192 . 14 1 1 A 21 21 ALA H H 19 8.570 8.564 0.006 1
1 193 . 14 1 1 A 21 21 ALA HA H 19 4.345 4.955 -0.610 1
1 197 . 14 1 1 A 21 21 ALA C C 19 177.570 177.530 0.040 1
1 198 . 14 1 1 A 21 21 ALA CA C 19 50.997 51.163 -0.166 1
1 199 . 14 1 1 A 21 21 ALA CB C 19 19.579 22.088 -2.509 1
1 200 . 14 1 1 A 21 21 ALA N N 19 131.401 129.685 1.716 1
1 201 . 14 1 1 A 22 22 ARG H H 20 7.838 7.916 -0.078 1
1 202 . 14 1 1 A 22 22 ARG HA H 20 2.545 3.071 -0.526 1
1 209 . 14 1 1 A 22 22 ARG C C 20 178.258 177.400 0.858 1
1 210 . 14 1 1 A 22 22 ARG CA C 20 59.407 58.611 0.796 1
1 211 . 14 1 1 A 22 22 ARG CB C 20 29.433 29.194 0.239 1
1 214 . 14 1 1 A 22 22 ARG N N 20 124.465 121.150 3.315 1
1 215 . 14 1 1 A 23 23 ALA H H 21 8.203 7.550 0.653 1
1 216 . 14 1 1 A 23 23 ALA HA H 21 4.069 3.999 0.070 1
1 220 . 14 1 1 A 23 23 ALA C C 21 177.995 179.286 -1.291 1
1 221 . 14 1 1 A 23 23 ALA CA C 21 54.000 53.993 0.007 1
1 222 . 14 1 1 A 23 23 ALA CB C 21 18.722 18.132 0.590 1
1 223 . 14 1 1 A 23 23 ALA N N 21 117.242 120.955 -3.713 1
1 224 . 14 1 1 A 24 24 ASN H H 22 7.739 7.933 -0.194 1
1 225 . 14 1 1 A 24 24 ASN HA H 22 4.988 4.682 0.306 1
1 230 . 14 1 1 A 24 24 ASN C C 22 174.848 175.502 -0.654 1
1 231 . 14 1 1 A 24 24 ASN CA C 22 52.509 54.623 -2.114 1
1 232 . 14 1 1 A 24 24 ASN CB C 22 40.358 39.489 0.869 1
1 233 . 14 1 1 A 24 24 ASN N N 22 112.861 116.076 -3.215 1
1 235 . 14 1 1 A 25 25 VAL H H 23 7.524 7.364 0.160 1
1 236 . 14 1 1 A 25 25 VAL HA H 23 4.272 4.188 0.084 1
1 244 . 14 1 1 A 25 25 VAL C C 23 175.755 175.293 0.462 1
1 245 . 14 1 1 A 25 25 VAL CA C 23 62.859 63.527 -0.668 1
1 246 . 14 1 1 A 25 25 VAL CB C 23 33.432 31.911 1.521 1
1 249 . 14 1 1 A 25 25 VAL N N 23 119.883 119.359 0.524 1
1 250 . 14 1 1 A 26 26 LYS H H 24 9.527 9.365 0.162 1
1 251 . 14 1 1 A 26 26 LYS HA H 24 4.298 4.381 -0.083 1
1 260 . 14 1 1 A 26 26 LYS C C 24 176.634 176.737 -0.103 1
1 261 . 14 1 1 A 26 26 LYS CA C 24 58.989 57.885 1.104 1
1 262 . 14 1 1 A 26 26 LYS CB C 24 34.390 33.113 1.277 1
1 266 . 14 1 1 A 26 26 LYS N N 24 128.312 127.303 1.009 1
1 267 . 14 1 1 A 27 27 HIS H H 25 7.214 7.590 -0.376 1
1 268 . 14 1 1 A 27 27 HIS HA H 25 4.965 5.172 -0.207 1
1 273 . 14 1 1 A 27 27 HIS C C 25 172.740 172.707 0.033 1
1 274 . 14 1 1 A 27 27 HIS CA C 25 55.328 54.786 0.542 1
1 275 . 14 1 1 A 27 27 HIS CB C 25 32.882 31.710 1.172 1
1 278 . 14 1 1 A 27 27 HIS N N 25 109.505 113.551 -4.046 1
1 279 . 14 1 1 A 28 28 LEU H H 26 8.066 8.936 -0.870 1
1 280 . 14 1 1 A 28 28 LEU HA H 26 5.156 5.575 -0.419 1
1 290 . 14 1 1 A 28 28 LEU C C 26 175.346 175.372 -0.026 1
1 291 . 14 1 1 A 28 28 LEU CA C 26 53.466 53.291 0.175 1
1 292 . 14 1 1 A 28 28 LEU CB C 26 45.200 45.142 0.058 1
1 296 . 14 1 1 A 28 28 LEU N N 26 116.963 119.961 -2.998 1
1 297 . 14 1 1 A 29 29 LYS H H 27 9.549 9.026 0.523 1
1 298 . 14 1 1 A 29 29 LYS HA H 27 5.353 5.212 0.141 1
1 307 . 14 1 1 A 29 29 LYS C C 27 174.716 174.719 -0.003 1
1 308 . 14 1 1 A 29 29 LYS CA C 27 55.118 54.696 0.422 1
1 309 . 14 1 1 A 29 29 LYS CB C 27 35.144 35.571 -0.427 1
1 313 . 14 1 1 A 29 29 LYS N N 27 123.299 122.948 0.351 1
1 314 . 14 1 1 A 30 30 ILE H H 28 9.140 9.017 0.123 1
1 315 . 14 1 1 A 30 30 ILE HA H 28 4.910 5.115 -0.205 1
1 325 . 14 1 1 A 30 30 ILE C C 28 176.970 175.255 1.715 1
1 326 . 14 1 1 A 30 30 ILE CA C 28 60.390 59.476 0.914 1
1 327 . 14 1 1 A 30 30 ILE CB C 28 39.603 38.210 1.393 1
1 331 . 14 1 1 A 30 30 ILE N N 28 123.823 127.813 -3.990 1
1 332 . 14 1 1 A 31 31 LEU H H 29 8.866 9.374 -0.508 1
1 333 . 14 1 1 A 31 31 LEU HA H 29 4.580 4.437 0.143 1
1 342 . 14 1 1 A 31 31 LEU C C 29 175.975 176.375 -0.400 1
1 343 . 14 1 1 A 31 31 LEU CA C 29 55.474 54.191 1.283 1
1 344 . 14 1 1 A 31 31 LEU CB C 29 42.749 42.323 0.426 1
1 347 . 14 1 1 A 31 31 LEU N N 29 128.835 129.125 -0.290 1
1 348 . 14 1 1 A 32 32 ASN H H 30 8.211 8.640 -0.429 1
1 349 . 14 1 1 A 32 32 ASN HA H 30 4.998 4.950 0.048 1
1 354 . 14 1 1 A 32 32 ASN C C 30 174.658 175.016 -0.358 1
1 355 . 14 1 1 A 32 32 ASN CA C 30 52.524 52.216 0.308 1
1 356 . 14 1 1 A 32 32 ASN CB C 30 38.978 39.276 -0.298 1
1 357 . 14 1 1 A 32 32 ASN N N 30 120.696 122.458 -1.762 1
1 359 . 14 1 1 A 33 33 THR H H 31 7.925 8.160 -0.235 1
1 360 . 14 1 1 A 33 33 THR HA H 31 4.784 4.972 -0.188 1
1 365 . 14 1 1 A 33 33 THR CA C 31 58.046 58.311 -0.265 1
1 366 . 14 1 1 A 33 33 THR CB C 31 70.341 70.209 0.132 1
1 368 . 14 1 1 A 33 33 THR N N 31 116.303 117.223 -0.920 1
1 369 . 14 1 1 A 34 34 PRO HA H 32 4.300 4.426 -0.126 1
1 376 . 14 1 1 A 34 34 PRO C C 32 176.765 177.115 -0.350 1
1 377 . 14 1 1 A 34 34 PRO CA C 32 65.164 65.659 -0.495 1
1 378 . 14 1 1 A 34 34 PRO CB C 32 32.484 31.756 0.728 1
1 381 . 14 1 1 A 35 35 ASN H H 33 8.294 8.110 0.184 1
1 382 . 14 1 1 A 35 35 ASN C C 33 174.541 173.501 1.040 1
1 383 . 14 1 1 A 35 35 ASN N N 33 120.212 113.536 6.676 1
1 384 . 14 1 1 A 36 36 CYS H H 34 7.561 8.150 -0.589 1
1 385 . 14 1 1 A 36 36 CYS HA H 34 4.884 5.129 -0.245 1
1 388 . 14 1 1 A 36 36 CYS C C 34 173.838 171.777 2.061 1
1 389 . 14 1 1 A 36 36 CYS CA C 34 55.139 55.545 -0.406 1
1 390 . 14 1 1 A 36 36 CYS CB C 34 45.200 46.264 -1.064 1
1 391 . 14 1 1 A 36 36 CYS N N 34 116.986 122.960 -5.974 1
1 392 . 14 1 1 A 37 37 ALA H H 35 8.520 8.476 0.044 1
1 393 . 14 1 1 A 37 37 ALA HA H 35 4.233 4.687 -0.454 1
1 397 . 14 1 1 A 37 37 ALA C C 35 176.326 177.333 -1.007 1
1 398 . 14 1 1 A 37 37 ALA CA C 35 53.152 51.045 2.107 1
1 399 . 14 1 1 A 37 37 ALA CB C 35 18.930 19.473 -0.543 1
1 400 . 14 1 1 A 37 37 ALA N N 35 125.167 126.886 -1.719 1
1 401 . 14 1 1 A 38 38 CYS H H 36 8.343 8.210 0.133 1
1 402 . 14 1 1 A 38 38 CYS HA H 36 4.213 4.119 0.094 1
1 405 . 14 1 1 A 38 38 CYS C C 36 173.589 173.560 0.029 1
1 406 . 14 1 1 A 38 38 CYS CA C 36 58.487 59.913 -1.426 1
1 407 . 14 1 1 A 38 38 CYS CB C 36 45.702 26.226 19.476 1
1 408 . 14 1 1 A 38 38 CYS N N 36 118.786 122.689 -3.903 1
1 409 . 14 1 1 A 39 39 GLN H H 37 8.988 8.938 0.050 1
1 410 . 14 1 1 A 39 39 GLN HA H 37 4.573 5.007 -0.434 1
1 417 . 14 1 1 A 39 39 GLN C C 37 173.545 174.679 -1.134 1
1 418 . 14 1 1 A 39 39 GLN CA C 37 54.491 54.497 -0.006 1
1 419 . 14 1 1 A 39 39 GLN CB C 37 31.876 31.260 0.616 1
1 421 . 14 1 1 A 39 39 GLN N N 37 128.825 124.963 3.862 1
1 423 . 14 1 1 A 40 40 ILE H H 38 8.967 8.986 -0.019 1
1 424 . 14 1 1 A 40 40 ILE HA H 38 5.095 5.468 -0.373 1
1 434 . 14 1 1 A 40 40 ILE C C 38 174.336 174.083 0.253 1
1 435 . 14 1 1 A 40 40 ILE CA C 38 60.620 59.928 0.692 1
1 436 . 14 1 1 A 40 40 ILE CB C 38 40.235 40.812 -0.577 1
1 440 . 14 1 1 A 40 40 ILE N N 38 124.006 124.767 -0.761 1
1 441 . 14 1 1 A 41 41 VAL H H 39 9.130 9.627 -0.497 1
1 442 . 14 1 1 A 41 41 VAL HA H 39 4.926 4.895 0.031 1
1 450 . 14 1 1 A 41 41 VAL C C 39 175.492 173.990 1.502 1
1 451 . 14 1 1 A 41 41 VAL CA C 39 59.993 60.125 -0.132 1
1 452 . 14 1 1 A 41 41 VAL CB C 39 35.270 34.269 1.001 1
1 455 . 14 1 1 A 41 41 VAL N N 39 125.973 127.561 -1.588 1
1 456 . 14 1 1 A 42 42 ALA H H 40 9.558 9.505 0.053 1
1 457 . 14 1 1 A 42 42 ALA HA H 40 5.123 5.237 -0.114 1
1 461 . 14 1 1 A 42 42 ALA C C 40 175.931 175.328 0.603 1
1 462 . 14 1 1 A 42 42 ALA CA C 40 50.558 50.106 0.452 1
1 463 . 14 1 1 A 42 42 ALA CB C 40 22.072 21.354 0.718 1
1 464 . 14 1 1 A 42 42 ALA N N 40 128.264 128.899 -0.635 1
1 465 . 14 1 1 A 43 43 ARG H H 41 7.707 8.700 -0.993 1
1 466 . 14 1 1 A 43 43 ARG HA H 41 4.966 4.656 0.310 1
1 473 . 14 1 1 A 43 43 ARG C C 41 175.477 174.852 0.625 1
1 474 . 14 1 1 A 43 43 ARG CA C 41 54.000 55.029 -1.029 1
1 475 . 14 1 1 A 43 43 ARG CB C 41 31.122 31.292 -0.170 1
1 478 . 14 1 1 A 43 43 ARG N N 41 121.647 124.121 -2.474 1
1 479 . 14 1 1 A 44 44 LEU H H 42 9.183 8.746 0.437 1
1 480 . 14 1 1 A 44 44 LEU HA H 42 5.009 5.104 -0.095 1
1 490 . 14 1 1 A 44 44 LEU C C 42 177.848 177.180 0.668 1
1 491 . 14 1 1 A 44 44 LEU CA C 42 54.596 53.559 1.037 1
1 492 . 14 1 1 A 44 44 LEU CB C 42 41.806 43.414 -1.608 1
1 496 . 14 1 1 A 44 44 LEU N N 42 128.821 128.666 0.155 1
1 497 . 14 1 1 A 45 45 LYS H H 43 8.449 8.555 -0.106 1
1 498 . 14 1 1 A 45 45 LYS N N 43 119.659 121.531 -1.872 1
1 499 . 14 1 1 A 48 48 ASN HA H 46 4.716 4.715 0.001 1
1 504 . 14 1 1 A 48 48 ASN C C 46 175.155 174.917 0.238 1
1 505 . 14 1 1 A 48 48 ASN CA C 46 54.616 51.841 2.775 1
1 506 . 14 1 1 A 48 48 ASN CB C 46 39.292 40.259 -0.967 1
1 508 . 14 1 1 A 49 49 ARG H H 47 7.926 8.413 -0.487 1
1 509 . 14 1 1 A 49 49 ARG HA H 47 4.274 4.764 -0.490 1
1 516 . 14 1 1 A 49 49 ARG C C 47 175.433 175.020 0.413 1
1 517 . 14 1 1 A 49 49 ARG CA C 47 57.252 54.434 2.818 1
1 518 . 14 1 1 A 49 49 ARG CB C 47 32.128 33.482 -1.354 1
1 521 . 14 1 1 A 49 49 ARG N N 47 120.086 120.151 -0.065 1
1 522 . 14 1 1 A 50 50 GLN H H 48 8.542 8.505 0.037 1
1 523 . 14 1 1 A 50 50 GLN HA H 48 5.478 5.143 0.335 1
1 528 . 14 1 1 A 50 50 GLN C C 48 175.697 175.588 0.109 1
1 529 . 14 1 1 A 50 50 GLN CA C 48 55.077 54.926 0.151 1
1 530 . 14 1 1 A 50 50 GLN CB C 48 31.751 30.506 1.245 1
1 532 . 14 1 1 A 50 50 GLN N N 48 120.774 119.247 1.527 1
1 533 . 14 1 1 A 51 51 VAL H H 49 8.710 9.150 -0.440 1
1 534 . 14 1 1 A 51 51 VAL HA H 49 4.781 4.788 -0.007 1
1 542 . 14 1 1 A 51 51 VAL C C 49 175.185 173.858 1.327 1
1 543 . 14 1 1 A 51 51 VAL CA C 49 59.344 59.663 -0.319 1
1 544 . 14 1 1 A 51 51 VAL CB C 49 36.024 34.720 1.304 1
1 547 . 14 1 1 A 51 51 VAL N N 49 117.392 117.544 -0.152 1
1 548 . 14 1 1 A 52 52 CYS H H 50 9.184 9.085 0.099 1
1 549 . 14 1 1 A 52 52 CYS HA H 50 5.313 5.419 -0.106 1
1 552 . 14 1 1 A 52 52 CYS C C 50 174.380 173.632 0.748 1
1 553 . 14 1 1 A 52 52 CYS CA C 50 57.984 54.244 3.740 1
1 554 . 14 1 1 A 52 52 CYS CB C 50 42.661 45.401 -2.740 1
1 555 . 14 1 1 A 52 52 CYS N N 50 124.238 121.932 2.306 1
1 556 . 14 1 1 A 53 53 ILE H H 51 8.434 9.545 -1.111 1
1 557 . 14 1 1 A 53 53 ILE HA H 51 4.928 5.298 -0.370 1
1 567 . 14 1 1 A 53 53 ILE C C 51 172.931 173.522 -0.591 1
1 568 . 14 1 1 A 53 53 ILE CA C 51 58.675 59.191 -0.516 1
1 569 . 14 1 1 A 53 53 ILE CB C 51 42.309 41.269 1.040 1
1 573 . 14 1 1 A 53 53 ILE N N 51 122.034 121.127 0.907 1
1 574 . 14 1 1 A 54 54 ASP H H 52 7.702 8.708 -1.006 1
1 575 . 14 1 1 A 54 54 ASP HA H 52 3.426 5.005 -1.579 1
1 578 . 14 1 1 A 54 54 ASP CA C 52 51.251 50.451 0.800 1
1 579 . 14 1 1 A 54 54 ASP CB C 52 42.515 43.372 -0.857 1
1 580 . 14 1 1 A 54 54 ASP N N 52 125.815 122.045 3.770 1
1 581 . 14 1 1 A 55 55 PRO HA H 53 3.986 4.198 -0.212 1
1 588 . 14 1 1 A 55 55 PRO C C 53 176.034 177.738 -1.704 1
1 589 . 14 1 1 A 55 55 PRO CA C 53 63.947 63.958 -0.011 1
1 590 . 14 1 1 A 55 55 PRO CB C 53 33.000 31.616 1.384 1
1 593 . 14 1 1 A 56 56 LYS H H 54 7.889 8.600 -0.711 1
1 594 . 14 1 1 A 56 56 LYS HA H 54 3.993 3.972 0.021 1
1 603 . 14 1 1 A 56 56 LYS C C 54 177.922 177.435 0.487 1
1 604 . 14 1 1 A 56 56 LYS CA C 54 56.729 58.685 -1.956 1
1 605 . 14 1 1 A 56 56 LYS CB C 54 31.751 31.592 0.159 1
1 609 . 14 1 1 A 56 56 LYS N N 54 112.456 118.051 -5.595 1
1 610 . 14 1 1 A 57 57 LEU H H 55 7.157 7.169 -0.012 1
1 611 . 14 1 1 A 57 57 LEU HA H 55 4.040 4.114 -0.074 1
1 621 . 14 1 1 A 57 57 LEU C C 55 179.268 177.351 1.917 1
1 622 . 14 1 1 A 57 57 LEU CA C 55 55.997 55.433 0.564 1
1 623 . 14 1 1 A 57 57 LEU CB C 55 42.309 41.652 0.657 1
1 627 . 14 1 1 A 57 57 LEU N N 55 120.452 120.725 -0.273 1
1 628 . 14 1 1 A 58 58 LYS H H 56 8.731 8.810 -0.079 1
1 629 . 14 1 1 A 58 58 LYS HA H 56 3.913 3.874 0.039 1
1 638 . 14 1 1 A 58 58 LYS C C 56 178.917 178.466 0.451 1
1 639 . 14 1 1 A 58 58 LYS CA C 56 60.202 59.219 0.983 1
1 640 . 14 1 1 A 58 58 LYS CB C 56 32.253 32.218 0.035 1
1 644 . 14 1 1 A 58 58 LYS N N 56 125.307 126.637 -1.330 1
1 645 . 14 1 1 A 59 59 TRP H H 57 7.884 8.261 -0.377 1
1 646 . 14 1 1 A 59 59 TRP HA H 57 4.637 4.850 -0.213 1
1 654 . 14 1 1 A 59 59 TRP C C 57 178.829 179.496 -0.667 1
1 655 . 14 1 1 A 59 59 TRP CA C 57 58.779 59.913 -1.134 1
1 656 . 14 1 1 A 59 59 TRP CB C 57 27.854 27.971 -0.117 1
1 662 . 14 1 1 A 59 59 TRP N N 57 113.503 119.233 -5.730 1
1 663 . 14 1 1 A 60 60 ILE H H 58 6.449 7.169 -0.720 1
1 664 . 14 1 1 A 60 60 ILE HA H 58 3.284 3.187 0.097 1
1 674 . 14 1 1 A 60 60 ILE C C 58 177.687 177.510 0.177 1
1 675 . 14 1 1 A 60 60 ILE CA C 58 64.177 65.008 -0.831 1
1 676 . 14 1 1 A 60 60 ILE CB C 58 35.710 37.455 -1.745 1
1 680 . 14 1 1 A 60 60 ILE N N 58 124.379 122.432 1.947 1
1 681 . 14 1 1 A 61 61 GLN H H 59 7.646 7.636 0.010 1
1 682 . 14 1 1 A 61 61 GLN HA H 59 3.738 4.027 -0.289 1
1 689 . 14 1 1 A 61 61 GLN C C 59 178.361 179.058 -0.697 1
1 690 . 14 1 1 A 61 61 GLN CA C 59 59.302 59.071 0.231 1
1 691 . 14 1 1 A 61 61 GLN CB C 59 28.357 27.964 0.393 1
1 693 . 14 1 1 A 61 61 GLN N N 59 118.966 118.275 0.691 1
1 695 . 14 1 1 A 62 62 GLU H H 60 8.075 7.755 0.320 1
1 696 . 14 1 1 A 62 62 GLU HA H 60 4.076 4.121 -0.045 1
1 701 . 14 1 1 A 62 62 GLU C C 60 179.019 178.534 0.485 1
1 702 . 14 1 1 A 62 62 GLU CA C 60 59.637 58.938 0.699 1
1 703 . 14 1 1 A 62 62 GLU CB C 60 30.368 29.572 0.796 1
1 705 . 14 1 1 A 62 62 GLU N N 60 117.105 121.007 -3.902 1
1 706 . 14 1 1 A 63 63 TYR H H 61 7.922 7.991 -0.069 1
1 707 . 14 1 1 A 63 63 TYR HA H 61 4.237 4.325 -0.088 1
1 714 . 14 1 1 A 63 63 TYR C C 61 178.551 177.898 0.653 1
1 715 . 14 1 1 A 63 63 TYR CA C 61 61.206 61.537 -0.331 1
1 716 . 14 1 1 A 63 63 TYR CB C 61 39.669 39.001 0.668 1
1 719 . 14 1 1 A 63 63 TYR N N 61 121.402 122.879 -1.477 1
1 720 . 14 1 1 A 64 64 LEU H H 62 8.227 7.956 0.271 1
1 721 . 14 1 1 A 64 64 LEU HA H 62 3.957 4.152 -0.195 1
1 731 . 14 1 1 A 64 64 LEU C C 62 179.458 179.013 0.445 1
1 732 . 14 1 1 A 64 64 LEU CA C 62 57.880 58.083 -0.203 1
1 733 . 14 1 1 A 64 64 LEU CB C 62 42.434 41.202 1.232 1
1 737 . 14 1 1 A 64 64 LEU N N 62 116.209 119.203 -2.994 1
1 738 . 14 1 1 A 65 65 GLU H H 63 8.472 8.435 0.037 1
1 739 . 14 1 1 A 65 65 GLU HA H 63 3.827 4.069 -0.242 1
1 744 . 14 1 1 A 65 65 GLU C C 63 179.166 179.190 -0.024 1
1 745 . 14 1 1 A 65 65 GLU CA C 63 60.265 59.569 0.696 1
1 746 . 14 1 1 A 65 65 GLU CB C 63 29.739 29.242 0.497 1
1 748 . 14 1 1 A 65 65 GLU N N 63 118.559 119.196 -0.637 1
1 749 . 14 1 1 A 66 66 LYS H H 64 7.554 7.736 -0.182 1
1 750 . 14 1 1 A 66 66 LYS HA H 64 4.215 4.168 0.047 1
1 759 . 14 1 1 A 66 66 LYS C C 64 178.302 178.391 -0.089 1
1 760 . 14 1 1 A 66 66 LYS CA C 64 58.481 58.725 -0.244 1
1 761 . 14 1 1 A 66 66 LYS CB C 64 32.505 32.239 0.266 1
1 765 . 14 1 1 A 66 66 LYS N N 64 117.056 118.858 -1.802 1
1 766 . 14 1 1 A 67 67 CYS H H 65 7.918 7.844 0.074 1
1 767 . 14 1 1 A 67 67 CYS HA H 65 4.532 4.542 -0.010 1
1 770 . 14 1 1 A 67 67 CYS C C 65 174.775 175.131 -0.356 1
1 771 . 14 1 1 A 67 67 CYS CA C 65 56.102 61.411 -5.309 1
1 772 . 14 1 1 A 67 67 CYS CB C 65 45.325 28.565 16.760 1
1 773 . 14 1 1 A 67 67 CYS N N 65 115.236 116.323 -1.087 1
1 774 . 14 1 1 A 68 68 LEU H H 66 7.558 7.286 0.272 1
1 775 . 14 1 1 A 68 68 LEU HA H 66 4.520 4.385 0.135 1
1 785 . 14 1 1 A 68 68 LEU C C 66 176.765 177.045 -0.280 1
1 786 . 14 1 1 A 68 68 LEU CA C 66 55.202 54.650 0.552 1
1 787 . 14 1 1 A 68 68 LEU CB C 66 43.314 41.065 2.249 1
1 791 . 14 1 1 A 68 68 LEU N N 66 121.130 121.389 -0.259 1
1 792 . 14 1 1 A 69 69 ASN H H 67 8.306 9.667 -1.361 1
1 793 . 14 1 1 A 69 69 ASN HA H 67 4.639 4.331 0.308 1
1 798 . 14 1 1 A 69 69 ASN C C 67 174.189 174.712 -0.523 1
1 799 . 14 1 1 A 69 69 ASN CA C 67 53.654 54.973 -1.319 1
1 800 . 14 1 1 A 69 69 ASN CB C 67 38.978 36.609 2.369 1
1 801 . 14 1 1 A 69 69 ASN N N 67 120.313 123.339 -3.026 1
1 3 . 15 1 1 A 4 4 PRO HA H 2 4.490 4.606 -0.116 1
1 10 . 15 1 1 A 4 4 PRO C C 2 177.102 176.721 0.381 1
1 11 . 15 1 1 A 4 4 PRO CA C 2 63.319 62.912 0.407 1
1 12 . 15 1 1 A 4 4 PRO CB C 2 32.575 31.822 0.753 1
1 15 . 15 1 1 A 5 5 VAL H H 3 8.259 8.774 -0.515 1
1 16 . 15 1 1 A 5 5 VAL HA H 3 4.117 4.274 -0.157 1
1 24 . 15 1 1 A 5 5 VAL C C 3 176.385 175.854 0.531 1
1 25 . 15 1 1 A 5 5 VAL CA C 3 62.629 62.025 0.604 1
1 26 . 15 1 1 A 5 5 VAL CB C 3 33.146 32.529 0.617 1
1 29 . 15 1 1 A 5 5 VAL N N 3 120.806 124.386 -3.580 1
1 30 . 15 1 1 A 6 6 SER H H 4 8.345 8.008 0.337 1
1 31 . 15 1 1 A 6 6 SER HA H 4 4.479 4.305 0.174 1
1 34 . 15 1 1 A 6 6 SER C C 4 174.687 173.348 1.339 1
1 35 . 15 1 1 A 6 6 SER CA C 4 58.340 59.061 -0.721 1
1 36 . 15 1 1 A 6 6 SER CB C 4 64.208 62.035 2.173 1
1 37 . 15 1 1 A 6 6 SER N N 4 119.332 115.953 3.379 1
1 38 . 15 1 1 A 7 7 LEU H H 5 8.334 8.582 -0.248 1
1 39 . 15 1 1 A 7 7 LEU HA H 5 4.384 4.914 -0.530 1
1 45 . 15 1 1 A 7 7 LEU C C 5 177.424 175.529 1.895 1
1 46 . 15 1 1 A 7 7 LEU CA C 5 55.495 54.141 1.354 1
1 47 . 15 1 1 A 7 7 LEU CB C 5 42.786 43.212 -0.426 1
1 49 . 15 1 1 A 7 7 LEU N N 5 124.942 126.084 -1.142 1
1 50 . 15 1 1 A 8 8 SER H H 6 8.198 8.359 -0.161 1
1 51 . 15 1 1 A 8 8 SER HA H 6 4.407 4.757 -0.350 1
1 54 . 15 1 1 A 8 8 SER C C 6 174.306 173.682 0.624 1
1 55 . 15 1 1 A 8 8 SER CA C 6 58.696 56.372 2.324 1
1 56 . 15 1 1 A 8 8 SER CB C 6 64.136 65.020 -0.884 1
1 57 . 15 1 1 A 8 8 SER N N 6 116.070 119.000 -2.930 1
1 58 . 15 1 1 A 9 9 TYR H H 7 8.005 8.523 -0.518 1
1 59 . 15 1 1 A 9 9 TYR HA H 7 4.547 4.084 0.463 1
1 66 . 15 1 1 A 9 9 TYR C C 7 175.507 176.029 -0.522 1
1 67 . 15 1 1 A 9 9 TYR CA C 7 58.236 62.416 -4.180 1
1 68 . 15 1 1 A 9 9 TYR CB C 7 39.144 38.544 0.600 1
1 71 . 15 1 1 A 9 9 TYR N N 7 122.102 124.725 -2.623 1
1 72 . 15 1 1 A 10 10 ARG H H 8 8.142 7.903 0.239 1
1 73 . 15 1 1 A 10 10 ARG HA H 8 4.302 4.346 -0.044 1
1 80 . 15 1 1 A 10 10 ARG C C 8 175.946 175.632 0.314 1
1 81 . 15 1 1 A 10 10 ARG CA C 8 56.102 56.273 -0.171 1
1 82 . 15 1 1 A 10 10 ARG CB C 8 31.004 30.976 0.028 1
1 85 . 15 1 1 A 10 10 ARG N N 8 122.105 118.312 3.793 1
1 86 . 15 1 1 A 11 11 CYS H H 9 8.185 8.489 -0.304 1
1 87 . 15 1 1 A 11 11 CYS HA H 9 4.952 5.026 -0.074 1
1 90 . 15 1 1 A 11 11 CYS CA C 9 53.192 54.432 -1.240 1
1 91 . 15 1 1 A 11 11 CYS CB C 9 40.250 43.541 -3.291 1
1 92 . 15 1 1 A 11 11 CYS N N 9 121.511 123.006 -1.495 1
1 93 . 15 1 1 A 12 12 PRO HA H 10 4.315 4.728 -0.413 1
1 100 . 15 1 1 A 12 12 PRO C C 10 177.980 176.959 1.021 1
1 101 . 15 1 1 A 12 12 PRO CA C 10 65.345 65.684 -0.339 1
1 102 . 15 1 1 A 12 12 PRO CB C 10 32.575 31.106 1.469 1
1 105 . 15 1 1 A 13 13 CYS H H 11 8.719 8.145 0.574 1
1 106 . 15 1 1 A 13 13 CYS N N 11 115.047 114.879 0.168 1
1 107 . 15 1 1 A 14 14 ARG HA H 12 4.028 4.437 -0.409 1
1 114 . 15 1 1 A 14 14 ARG C C 12 175.097 176.012 -0.915 1
1 115 . 15 1 1 A 14 14 ARG CA C 12 57.503 57.239 0.264 1
1 116 . 15 1 1 A 14 14 ARG CB C 12 31.289 31.122 0.167 1
1 119 . 15 1 1 A 15 15 PHE H H 13 7.607 7.662 -0.055 1
1 120 . 15 1 1 A 15 15 PHE HA H 13 4.497 5.430 -0.933 1
1 127 . 15 1 1 A 15 15 PHE C C 13 174.292 173.238 1.054 1
1 128 . 15 1 1 A 15 15 PHE CA C 13 56.060 55.710 0.350 1
1 129 . 15 1 1 A 15 15 PHE CB C 13 41.122 42.790 -1.668 1
1 132 . 15 1 1 A 15 15 PHE N N 13 116.487 115.719 0.768 1
1 133 . 15 1 1 A 16 16 PHE H H 14 8.202 9.205 -1.003 1
1 134 . 15 1 1 A 16 16 PHE HA H 14 4.793 5.594 -0.801 1
1 141 . 15 1 1 A 16 16 PHE C C 14 175.433 172.465 2.968 1
1 142 . 15 1 1 A 16 16 PHE CA C 14 55.516 55.086 0.430 1
1 143 . 15 1 1 A 16 16 PHE CB C 14 41.096 42.576 -1.480 1
1 146 . 15 1 1 A 16 16 PHE N N 14 119.591 116.208 3.383 1
1 147 . 15 1 1 A 17 17 GLU H H 15 8.749 9.612 -0.863 1
1 148 . 15 1 1 A 17 17 GLU HA H 15 4.579 4.559 0.020 1
1 153 . 15 1 1 A 17 17 GLU C C 15 176.809 176.310 0.499 1
1 154 . 15 1 1 A 17 17 GLU CA C 15 56.395 56.288 0.107 1
1 155 . 15 1 1 A 17 17 GLU CB C 15 30.932 31.024 -0.092 1
1 157 . 15 1 1 A 17 17 GLU N N 15 122.719 122.021 0.698 1
1 158 . 15 1 1 A 18 18 SER H H 16 8.764 8.765 -0.001 1
1 159 . 15 1 1 A 18 18 SER HA H 16 4.697 4.766 -0.069 1
1 162 . 15 1 1 A 18 18 SER CA C 16 59.637 59.645 -0.008 1
1 163 . 15 1 1 A 18 18 SER CB C 16 64.708 63.844 0.864 1
1 164 . 15 1 1 A 18 18 SER N N 16 118.765 120.881 -2.116 1
1 165 . 15 1 1 A 19 19 HIS H H 17 8.617 8.160 0.457 1
1 166 . 15 1 1 A 19 19 HIS HA H 17 4.770 4.808 -0.038 1
1 171 . 15 1 1 A 19 19 HIS C C 17 174.658 174.108 0.550 1
1 172 . 15 1 1 A 19 19 HIS CA C 17 56.750 54.188 2.562 1
1 173 . 15 1 1 A 19 19 HIS CB C 17 29.718 28.772 0.946 1
1 176 . 15 1 1 A 19 19 HIS N N 17 119.651 121.861 -2.210 1
1 177 . 15 1 1 A 20 20 VAL H H 18 7.360 8.208 -0.848 1
1 178 . 15 1 1 A 20 20 VAL HA H 18 4.100 4.705 -0.605 1
1 186 . 15 1 1 A 20 20 VAL C C 18 174.424 173.352 1.072 1
1 187 . 15 1 1 A 20 20 VAL CA C 18 62.252 60.000 2.252 1
1 188 . 15 1 1 A 20 20 VAL CB C 18 34.146 35.383 -1.237 1
1 191 . 15 1 1 A 20 20 VAL N N 18 121.352 125.352 -4.000 1
1 192 . 15 1 1 A 21 21 ALA H H 19 8.570 8.487 0.083 1
1 193 . 15 1 1 A 21 21 ALA HA H 19 4.345 4.695 -0.350 1
1 197 . 15 1 1 A 21 21 ALA C C 19 177.570 177.629 -0.059 1
1 198 . 15 1 1 A 21 21 ALA CA C 19 50.997 50.420 0.577 1
1 199 . 15 1 1 A 21 21 ALA CB C 19 19.579 20.878 -1.299 1
1 200 . 15 1 1 A 21 21 ALA N N 19 131.401 129.927 1.474 1
1 201 . 15 1 1 A 22 22 ARG H H 20 7.838 8.216 -0.378 1
1 202 . 15 1 1 A 22 22 ARG HA H 20 2.545 2.898 -0.353 1
1 209 . 15 1 1 A 22 22 ARG C C 20 178.258 177.080 1.178 1
1 210 . 15 1 1 A 22 22 ARG CA C 20 59.407 57.676 1.731 1
1 211 . 15 1 1 A 22 22 ARG CB C 20 29.433 29.210 0.223 1
1 214 . 15 1 1 A 22 22 ARG N N 20 124.465 122.731 1.734 1
1 215 . 15 1 1 A 23 23 ALA H H 21 8.203 7.476 0.727 1
1 216 . 15 1 1 A 23 23 ALA HA H 21 4.069 4.073 -0.004 1
1 220 . 15 1 1 A 23 23 ALA C C 21 177.995 178.874 -0.879 1
1 221 . 15 1 1 A 23 23 ALA CA C 21 54.000 53.329 0.671 1
1 222 . 15 1 1 A 23 23 ALA CB C 21 18.722 18.490 0.232 1
1 223 . 15 1 1 A 23 23 ALA N N 21 117.242 121.404 -4.162 1
1 224 . 15 1 1 A 24 24 ASN H H 22 7.739 7.974 -0.235 1
1 225 . 15 1 1 A 24 24 ASN HA H 22 4.988 4.724 0.264 1
1 230 . 15 1 1 A 24 24 ASN C C 22 174.848 175.060 -0.212 1
1 231 . 15 1 1 A 24 24 ASN CA C 22 52.509 54.272 -1.763 1
1 232 . 15 1 1 A 24 24 ASN CB C 22 40.358 39.306 1.052 1
1 233 . 15 1 1 A 24 24 ASN N N 22 112.861 115.496 -2.635 1
1 235 . 15 1 1 A 25 25 VAL H H 23 7.524 7.136 0.388 1
1 236 . 15 1 1 A 25 25 VAL HA H 23 4.272 3.978 0.294 1
1 244 . 15 1 1 A 25 25 VAL C C 23 175.755 175.379 0.376 1
1 245 . 15 1 1 A 25 25 VAL CA C 23 62.859 62.206 0.653 1
1 246 . 15 1 1 A 25 25 VAL CB C 23 33.432 32.393 1.039 1
1 249 . 15 1 1 A 25 25 VAL N N 23 119.883 117.174 2.709 1
1 250 . 15 1 1 A 26 26 LYS H H 24 9.527 9.361 0.166 1
1 251 . 15 1 1 A 26 26 LYS HA H 24 4.298 4.504 -0.206 1
1 260 . 15 1 1 A 26 26 LYS C C 24 176.634 176.635 -0.001 1
1 261 . 15 1 1 A 26 26 LYS CA C 24 58.989 57.411 1.578 1
1 262 . 15 1 1 A 26 26 LYS CB C 24 34.390 33.541 0.849 1
1 266 . 15 1 1 A 26 26 LYS N N 24 128.312 124.609 3.703 1
1 267 . 15 1 1 A 27 27 HIS H H 25 7.214 7.040 0.174 1
1 268 . 15 1 1 A 27 27 HIS HA H 25 4.965 5.047 -0.082 1
1 273 . 15 1 1 A 27 27 HIS C C 25 172.740 172.604 0.136 1
1 274 . 15 1 1 A 27 27 HIS CA C 25 55.328 54.801 0.527 1
1 275 . 15 1 1 A 27 27 HIS CB C 25 32.882 31.157 1.725 1
1 278 . 15 1 1 A 27 27 HIS N N 25 109.505 113.750 -4.245 1
1 279 . 15 1 1 A 28 28 LEU H H 26 8.066 8.847 -0.781 1
1 280 . 15 1 1 A 28 28 LEU HA H 26 5.156 5.390 -0.234 1
1 290 . 15 1 1 A 28 28 LEU C C 26 175.346 175.482 -0.136 1
1 291 . 15 1 1 A 28 28 LEU CA C 26 53.466 53.348 0.118 1
1 292 . 15 1 1 A 28 28 LEU CB C 26 45.200 45.283 -0.083 1
1 296 . 15 1 1 A 28 28 LEU N N 26 116.963 120.147 -3.184 1
1 297 . 15 1 1 A 29 29 LYS H H 27 9.549 9.398 0.151 1
1 298 . 15 1 1 A 29 29 LYS HA H 27 5.353 5.212 0.141 1
1 307 . 15 1 1 A 29 29 LYS C C 27 174.716 174.689 0.027 1
1 308 . 15 1 1 A 29 29 LYS CA C 27 55.118 54.741 0.377 1
1 309 . 15 1 1 A 29 29 LYS CB C 27 35.144 35.641 -0.497 1
1 313 . 15 1 1 A 29 29 LYS N N 27 123.299 122.923 0.376 1
1 314 . 15 1 1 A 30 30 ILE H H 28 9.140 9.039 0.101 1
1 315 . 15 1 1 A 30 30 ILE HA H 28 4.910 4.943 -0.033 1
1 325 . 15 1 1 A 30 30 ILE C C 28 176.970 175.011 1.959 1
1 326 . 15 1 1 A 30 30 ILE CA C 28 60.390 59.638 0.752 1
1 327 . 15 1 1 A 30 30 ILE CB C 28 39.603 38.329 1.274 1
1 331 . 15 1 1 A 30 30 ILE N N 28 123.823 128.031 -4.208 1
1 332 . 15 1 1 A 31 31 LEU H H 29 8.866 9.570 -0.704 1
1 333 . 15 1 1 A 31 31 LEU HA H 29 4.580 4.495 0.085 1
1 342 . 15 1 1 A 31 31 LEU C C 29 175.975 176.044 -0.069 1
1 343 . 15 1 1 A 31 31 LEU CA C 29 55.474 54.139 1.335 1
1 344 . 15 1 1 A 31 31 LEU CB C 29 42.749 42.600 0.149 1
1 347 . 15 1 1 A 31 31 LEU N N 29 128.835 129.143 -0.308 1
1 348 . 15 1 1 A 32 32 ASN H H 30 8.211 8.758 -0.547 1
1 349 . 15 1 1 A 32 32 ASN HA H 30 4.998 4.964 0.034 1
1 354 . 15 1 1 A 32 32 ASN C C 30 174.658 174.157 0.501 1
1 355 . 15 1 1 A 32 32 ASN CA C 30 52.524 52.489 0.035 1
1 356 . 15 1 1 A 32 32 ASN CB C 30 38.978 39.198 -0.220 1
1 357 . 15 1 1 A 32 32 ASN N N 30 120.696 123.773 -3.077 1
1 359 . 15 1 1 A 33 33 THR H H 31 7.925 8.499 -0.574 1
1 360 . 15 1 1 A 33 33 THR HA H 31 4.784 4.666 0.118 1
1 365 . 15 1 1 A 33 33 THR CA C 31 58.046 59.217 -1.171 1
1 366 . 15 1 1 A 33 33 THR CB C 31 70.341 71.201 -0.860 1
1 368 . 15 1 1 A 33 33 THR N N 31 116.303 120.290 -3.987 1
1 369 . 15 1 1 A 34 34 PRO HA H 32 4.300 4.335 -0.035 1
1 376 . 15 1 1 A 34 34 PRO C C 32 176.765 177.677 -0.912 1
1 377 . 15 1 1 A 34 34 PRO CA C 32 65.164 66.240 -1.076 1
1 378 . 15 1 1 A 34 34 PRO CB C 32 32.484 31.469 1.015 1
1 381 . 15 1 1 A 35 35 ASN H H 33 8.294 7.584 0.710 1
1 382 . 15 1 1 A 35 35 ASN C C 33 174.541 174.825 -0.284 1
1 383 . 15 1 1 A 35 35 ASN N N 33 120.212 113.810 6.402 1
1 384 . 15 1 1 A 36 36 CYS H H 34 7.561 7.678 -0.117 1
1 385 . 15 1 1 A 36 36 CYS HA H 34 4.884 4.958 -0.074 1
1 388 . 15 1 1 A 36 36 CYS C C 34 173.838 172.814 1.024 1
1 389 . 15 1 1 A 36 36 CYS CA C 34 55.139 54.879 0.260 1
1 390 . 15 1 1 A 36 36 CYS CB C 34 45.200 44.881 0.319 1
1 391 . 15 1 1 A 36 36 CYS N N 34 116.986 117.243 -0.257 1
1 392 . 15 1 1 A 37 37 ALA H H 35 8.520 8.494 0.026 1
1 393 . 15 1 1 A 37 37 ALA HA H 35 4.233 4.429 -0.196 1
1 397 . 15 1 1 A 37 37 ALA C C 35 176.326 177.437 -1.111 1
1 398 . 15 1 1 A 37 37 ALA CA C 35 53.152 53.096 0.056 1
1 399 . 15 1 1 A 37 37 ALA CB C 35 18.930 20.180 -1.250 1
1 400 . 15 1 1 A 37 37 ALA N N 35 125.167 125.259 -0.092 1
1 401 . 15 1 1 A 38 38 CYS H H 36 8.343 7.631 0.712 1
1 402 . 15 1 1 A 38 38 CYS HA H 36 4.213 4.750 -0.537 1
1 405 . 15 1 1 A 38 38 CYS C C 36 173.589 173.015 0.574 1
1 406 . 15 1 1 A 38 38 CYS CA C 36 58.487 57.779 0.708 1
1 407 . 15 1 1 A 38 38 CYS CB C 36 45.702 28.864 16.838 1
1 408 . 15 1 1 A 38 38 CYS N N 36 118.786 114.476 4.310 1
1 409 . 15 1 1 A 39 39 GLN H H 37 8.988 8.927 0.061 1
1 410 . 15 1 1 A 39 39 GLN HA H 37 4.573 5.009 -0.436 1
1 417 . 15 1 1 A 39 39 GLN C C 37 173.545 174.587 -1.042 1
1 418 . 15 1 1 A 39 39 GLN CA C 37 54.491 54.388 0.103 1
1 419 . 15 1 1 A 39 39 GLN CB C 37 31.876 30.987 0.889 1
1 421 . 15 1 1 A 39 39 GLN N N 37 128.825 126.824 2.001 1
1 423 . 15 1 1 A 40 40 ILE H H 38 8.967 8.927 0.040 1
1 424 . 15 1 1 A 40 40 ILE HA H 38 5.095 5.020 0.075 1
1 434 . 15 1 1 A 40 40 ILE C C 38 174.336 174.894 -0.558 1
1 435 . 15 1 1 A 40 40 ILE CA C 38 60.620 59.849 0.771 1
1 436 . 15 1 1 A 40 40 ILE CB C 38 40.235 40.377 -0.142 1
1 440 . 15 1 1 A 40 40 ILE N N 38 124.006 124.950 -0.944 1
1 441 . 15 1 1 A 41 41 VAL H H 39 9.130 9.375 -0.245 1
1 442 . 15 1 1 A 41 41 VAL HA H 39 4.926 4.848 0.078 1
1 450 . 15 1 1 A 41 41 VAL C C 39 175.492 174.369 1.123 1
1 451 . 15 1 1 A 41 41 VAL CA C 39 59.993 60.618 -0.625 1
1 452 . 15 1 1 A 41 41 VAL CB C 39 35.270 34.656 0.614 1
1 455 . 15 1 1 A 41 41 VAL N N 39 125.973 126.630 -0.657 1
1 456 . 15 1 1 A 42 42 ALA H H 40 9.558 9.009 0.549 1
1 457 . 15 1 1 A 42 42 ALA HA H 40 5.123 5.336 -0.213 1
1 461 . 15 1 1 A 42 42 ALA C C 40 175.931 175.192 0.739 1
1 462 . 15 1 1 A 42 42 ALA CA C 40 50.558 49.920 0.638 1
1 463 . 15 1 1 A 42 42 ALA CB C 40 22.072 21.563 0.509 1
1 464 . 15 1 1 A 42 42 ALA N N 40 128.264 129.079 -0.815 1
1 465 . 15 1 1 A 43 43 ARG H H 41 7.707 8.629 -0.922 1
1 466 . 15 1 1 A 43 43 ARG HA H 41 4.966 4.910 0.056 1
1 473 . 15 1 1 A 43 43 ARG C C 41 175.477 174.880 0.597 1
1 474 . 15 1 1 A 43 43 ARG CA C 41 54.000 54.727 -0.727 1
1 475 . 15 1 1 A 43 43 ARG CB C 41 31.122 33.244 -2.122 1
1 478 . 15 1 1 A 43 43 ARG N N 41 121.647 123.412 -1.765 1
1 479 . 15 1 1 A 44 44 LEU H H 42 9.183 9.290 -0.107 1
1 480 . 15 1 1 A 44 44 LEU HA H 42 5.009 4.703 0.306 1
1 490 . 15 1 1 A 44 44 LEU C C 42 177.848 177.538 0.310 1
1 491 . 15 1 1 A 44 44 LEU CA C 42 54.596 53.551 1.045 1
1 492 . 15 1 1 A 44 44 LEU CB C 42 41.806 43.535 -1.729 1
1 496 . 15 1 1 A 44 44 LEU N N 42 128.821 127.269 1.552 1
1 497 . 15 1 1 A 45 45 LYS H H 43 8.449 9.372 -0.923 1
1 498 . 15 1 1 A 45 45 LYS N N 43 119.659 123.420 -3.761 1
1 499 . 15 1 1 A 48 48 ASN HA H 46 4.716 5.025 -0.309 1
1 504 . 15 1 1 A 48 48 ASN C C 46 175.155 175.271 -0.116 1
1 505 . 15 1 1 A 48 48 ASN CA C 46 54.616 51.943 2.673 1
1 506 . 15 1 1 A 48 48 ASN CB C 46 39.292 39.553 -0.261 1
1 508 . 15 1 1 A 49 49 ARG H H 47 7.926 8.196 -0.270 1
1 509 . 15 1 1 A 49 49 ARG HA H 47 4.274 3.832 0.442 1
1 516 . 15 1 1 A 49 49 ARG C C 47 175.433 174.710 0.723 1
1 517 . 15 1 1 A 49 49 ARG CA C 47 57.252 58.707 -1.455 1
1 518 . 15 1 1 A 49 49 ARG CB C 47 32.128 28.815 3.313 1
1 521 . 15 1 1 A 49 49 ARG N N 47 120.086 115.096 4.990 1
1 522 . 15 1 1 A 50 50 GLN H H 48 8.542 8.034 0.508 1
1 523 . 15 1 1 A 50 50 GLN HA H 48 5.478 4.831 0.647 1
1 528 . 15 1 1 A 50 50 GLN C C 48 175.697 174.294 1.403 1
1 529 . 15 1 1 A 50 50 GLN CA C 48 55.077 55.023 0.054 1
1 530 . 15 1 1 A 50 50 GLN CB C 48 31.751 32.070 -0.319 1
1 532 . 15 1 1 A 50 50 GLN N N 48 120.774 117.041 3.733 1
1 533 . 15 1 1 A 51 51 VAL H H 49 8.710 9.028 -0.318 1
1 534 . 15 1 1 A 51 51 VAL HA H 49 4.781 4.868 -0.087 1
1 542 . 15 1 1 A 51 51 VAL C C 49 175.185 173.448 1.737 1
1 543 . 15 1 1 A 51 51 VAL CA C 49 59.344 59.018 0.326 1
1 544 . 15 1 1 A 51 51 VAL CB C 49 36.024 35.643 0.381 1
1 547 . 15 1 1 A 51 51 VAL N N 49 117.392 118.227 -0.835 1
1 548 . 15 1 1 A 52 52 CYS H H 50 9.184 8.891 0.293 1
1 549 . 15 1 1 A 52 52 CYS HA H 50 5.313 5.349 -0.036 1
1 552 . 15 1 1 A 52 52 CYS C C 50 174.380 173.408 0.972 1
1 553 . 15 1 1 A 52 52 CYS CA C 50 57.984 54.130 3.854 1
1 554 . 15 1 1 A 52 52 CYS CB C 50 42.661 45.265 -2.604 1
1 555 . 15 1 1 A 52 52 CYS N N 50 124.238 121.002 3.236 1
1 556 . 15 1 1 A 53 53 ILE H H 51 8.434 9.262 -0.828 1
1 557 . 15 1 1 A 53 53 ILE HA H 51 4.928 5.291 -0.363 1
1 567 . 15 1 1 A 53 53 ILE C C 51 172.931 173.278 -0.347 1
1 568 . 15 1 1 A 53 53 ILE CA C 51 58.675 59.033 -0.358 1
1 569 . 15 1 1 A 53 53 ILE CB C 51 42.309 41.804 0.505 1
1 573 . 15 1 1 A 53 53 ILE N N 51 122.034 121.273 0.761 1
1 574 . 15 1 1 A 54 54 ASP H H 52 7.702 8.662 -0.960 1
1 575 . 15 1 1 A 54 54 ASP HA H 52 3.426 4.862 -1.436 1
1 578 . 15 1 1 A 54 54 ASP CA C 52 51.251 50.244 1.007 1
1 579 . 15 1 1 A 54 54 ASP CB C 52 42.515 42.031 0.484 1
1 580 . 15 1 1 A 54 54 ASP N N 52 125.815 122.198 3.617 1
1 581 . 15 1 1 A 55 55 PRO HA H 53 3.986 4.174 -0.188 1
1 588 . 15 1 1 A 55 55 PRO C C 53 176.034 177.597 -1.563 1
1 589 . 15 1 1 A 55 55 PRO CA C 53 63.947 64.203 -0.256 1
1 590 . 15 1 1 A 55 55 PRO CB C 53 33.000 31.885 1.115 1
1 593 . 15 1 1 A 56 56 LYS H H 54 7.889 7.810 0.079 1
1 594 . 15 1 1 A 56 56 LYS HA H 54 3.993 4.144 -0.151 1
1 603 . 15 1 1 A 56 56 LYS C C 54 177.922 176.626 1.296 1
1 604 . 15 1 1 A 56 56 LYS CA C 54 56.729 57.302 -0.573 1
1 605 . 15 1 1 A 56 56 LYS CB C 54 31.751 32.418 -0.667 1
1 609 . 15 1 1 A 56 56 LYS N N 54 112.456 116.520 -4.064 1
1 610 . 15 1 1 A 57 57 LEU H H 55 7.157 7.129 0.028 1
1 611 . 15 1 1 A 57 57 LEU HA H 55 4.040 4.095 -0.055 1
1 621 . 15 1 1 A 57 57 LEU C C 55 179.268 177.458 1.810 1
1 622 . 15 1 1 A 57 57 LEU CA C 55 55.997 55.517 0.480 1
1 623 . 15 1 1 A 57 57 LEU CB C 55 42.309 41.667 0.642 1
1 627 . 15 1 1 A 57 57 LEU N N 55 120.452 121.511 -1.059 1
1 628 . 15 1 1 A 58 58 LYS H H 56 8.731 8.890 -0.159 1
1 629 . 15 1 1 A 58 58 LYS HA H 56 3.913 3.937 -0.024 1
1 638 . 15 1 1 A 58 58 LYS C C 56 178.917 178.258 0.659 1
1 639 . 15 1 1 A 58 58 LYS CA C 56 60.202 59.582 0.620 1
1 640 . 15 1 1 A 58 58 LYS CB C 56 32.253 32.090 0.163 1
1 644 . 15 1 1 A 58 58 LYS N N 56 125.307 126.043 -0.736 1
1 645 . 15 1 1 A 59 59 TRP H H 57 7.884 8.256 -0.372 1
1 646 . 15 1 1 A 59 59 TRP HA H 57 4.637 4.817 -0.180 1
1 654 . 15 1 1 A 59 59 TRP C C 57 178.829 179.510 -0.681 1
1 655 . 15 1 1 A 59 59 TRP CA C 57 58.779 59.887 -1.108 1
1 656 . 15 1 1 A 59 59 TRP CB C 57 27.854 28.299 -0.445 1
1 662 . 15 1 1 A 59 59 TRP N N 57 113.503 119.205 -5.702 1
1 663 . 15 1 1 A 60 60 ILE H H 58 6.449 7.643 -1.194 1
1 664 . 15 1 1 A 60 60 ILE HA H 58 3.284 3.082 0.202 1
1 674 . 15 1 1 A 60 60 ILE C C 58 177.687 177.950 -0.263 1
1 675 . 15 1 1 A 60 60 ILE CA C 58 64.177 65.064 -0.887 1
1 676 . 15 1 1 A 60 60 ILE CB C 58 35.710 37.267 -1.557 1
1 680 . 15 1 1 A 60 60 ILE N N 58 124.379 122.381 1.998 1
1 681 . 15 1 1 A 61 61 GLN H H 59 7.646 7.781 -0.135 1
1 682 . 15 1 1 A 61 61 GLN HA H 59 3.738 4.035 -0.297 1
1 689 . 15 1 1 A 61 61 GLN C C 59 178.361 178.957 -0.596 1
1 690 . 15 1 1 A 61 61 GLN CA C 59 59.302 59.072 0.230 1
1 691 . 15 1 1 A 61 61 GLN CB C 59 28.357 27.896 0.461 1
1 693 . 15 1 1 A 61 61 GLN N N 59 118.966 118.119 0.847 1
1 695 . 15 1 1 A 62 62 GLU H H 60 8.075 7.659 0.416 1
1 696 . 15 1 1 A 62 62 GLU HA H 60 4.076 4.116 -0.040 1
1 701 . 15 1 1 A 62 62 GLU C C 60 179.019 178.698 0.321 1
1 702 . 15 1 1 A 62 62 GLU CA C 60 59.637 58.960 0.677 1
1 703 . 15 1 1 A 62 62 GLU CB C 60 30.368 29.519 0.849 1
1 705 . 15 1 1 A 62 62 GLU N N 60 117.105 121.083 -3.978 1
1 706 . 15 1 1 A 63 63 TYR H H 61 7.922 7.983 -0.061 1
1 707 . 15 1 1 A 63 63 TYR HA H 61 4.237 4.270 -0.033 1
1 714 . 15 1 1 A 63 63 TYR C C 61 178.551 177.950 0.601 1
1 715 . 15 1 1 A 63 63 TYR CA C 61 61.206 61.460 -0.254 1
1 716 . 15 1 1 A 63 63 TYR CB C 61 39.669 38.931 0.738 1
1 719 . 15 1 1 A 63 63 TYR N N 61 121.402 122.688 -1.286 1
1 720 . 15 1 1 A 64 64 LEU H H 62 8.227 7.846 0.381 1
1 721 . 15 1 1 A 64 64 LEU HA H 62 3.957 4.119 -0.162 1
1 731 . 15 1 1 A 64 64 LEU C C 62 179.458 178.978 0.480 1
1 732 . 15 1 1 A 64 64 LEU CA C 62 57.880 58.042 -0.162 1
1 733 . 15 1 1 A 64 64 LEU CB C 62 42.434 41.181 1.253 1
1 737 . 15 1 1 A 64 64 LEU N N 62 116.209 119.194 -2.985 1
1 738 . 15 1 1 A 65 65 GLU H H 63 8.472 8.056 0.416 1
1 739 . 15 1 1 A 65 65 GLU HA H 63 3.827 4.089 -0.262 1
1 744 . 15 1 1 A 65 65 GLU C C 63 179.166 179.022 0.144 1
1 745 . 15 1 1 A 65 65 GLU CA C 63 60.265 59.566 0.699 1
1 746 . 15 1 1 A 65 65 GLU CB C 63 29.739 29.222 0.517 1
1 748 . 15 1 1 A 65 65 GLU N N 63 118.559 119.193 -0.634 1
1 749 . 15 1 1 A 66 66 LYS H H 64 7.554 7.721 -0.167 1
1 750 . 15 1 1 A 66 66 LYS HA H 64 4.215 4.211 0.004 1
1 759 . 15 1 1 A 66 66 LYS C C 64 178.302 177.696 0.606 1
1 760 . 15 1 1 A 66 66 LYS CA C 64 58.481 58.356 0.125 1
1 761 . 15 1 1 A 66 66 LYS CB C 64 32.505 32.277 0.228 1
1 765 . 15 1 1 A 66 66 LYS N N 64 117.056 118.700 -1.644 1
1 766 . 15 1 1 A 67 67 CYS H H 65 7.918 7.786 0.132 1
1 767 . 15 1 1 A 67 67 CYS HA H 65 4.532 4.503 0.029 1
1 770 . 15 1 1 A 67 67 CYS C C 65 174.775 175.053 -0.278 1
1 771 . 15 1 1 A 67 67 CYS CA C 65 56.102 60.967 -4.865 1
1 772 . 15 1 1 A 67 67 CYS CB C 65 45.325 28.635 16.690 1
1 773 . 15 1 1 A 67 67 CYS N N 65 115.236 116.247 -1.011 1
1 774 . 15 1 1 A 68 68 LEU H H 66 7.558 7.324 0.234 1
1 775 . 15 1 1 A 68 68 LEU HA H 66 4.520 4.285 0.235 1
1 785 . 15 1 1 A 68 68 LEU C C 66 176.765 177.094 -0.329 1
1 786 . 15 1 1 A 68 68 LEU CA C 66 55.202 55.501 -0.299 1
1 787 . 15 1 1 A 68 68 LEU CB C 66 43.314 41.389 1.925 1
1 791 . 15 1 1 A 68 68 LEU N N 66 121.130 121.519 -0.389 1
1 792 . 15 1 1 A 69 69 ASN H H 67 8.306 9.073 -0.767 1
1 793 . 15 1 1 A 69 69 ASN HA H 67 4.639 4.371 0.268 1
1 798 . 15 1 1 A 69 69 ASN C C 67 174.189 174.479 -0.290 1
1 799 . 15 1 1 A 69 69 ASN CA C 67 53.654 54.786 -1.132 1
1 800 . 15 1 1 A 69 69 ASN CB C 67 38.978 37.064 1.914 1
1 801 . 15 1 1 A 69 69 ASN N N 67 120.313 120.242 0.071 1
1 3 . 16 1 1 A 4 4 PRO HA H 2 4.490 4.777 -0.287 1
1 10 . 16 1 1 A 4 4 PRO C C 2 177.102 175.902 1.200 1
1 11 . 16 1 1 A 4 4 PRO CA C 2 63.319 62.470 0.849 1
1 12 . 16 1 1 A 4 4 PRO CB C 2 32.575 29.619 2.956 1
1 15 . 16 1 1 A 5 5 VAL H H 3 8.259 8.127 0.132 1
1 16 . 16 1 1 A 5 5 VAL HA H 3 4.117 5.003 -0.886 1
1 24 . 16 1 1 A 5 5 VAL C C 3 176.385 174.274 2.111 1
1 25 . 16 1 1 A 5 5 VAL CA C 3 62.629 59.748 2.881 1
1 26 . 16 1 1 A 5 5 VAL CB C 3 33.146 34.500 -1.354 1
1 29 . 16 1 1 A 5 5 VAL N N 3 120.806 117.754 3.052 1
1 30 . 16 1 1 A 6 6 SER H H 4 8.345 8.853 -0.508 1
1 31 . 16 1 1 A 6 6 SER HA H 4 4.479 5.308 -0.829 1
1 34 . 16 1 1 A 6 6 SER C C 4 174.687 172.531 2.156 1
1 35 . 16 1 1 A 6 6 SER CA C 4 58.340 56.780 1.560 1
1 36 . 16 1 1 A 6 6 SER CB C 4 64.208 65.714 -1.506 1
1 37 . 16 1 1 A 6 6 SER N N 4 119.332 120.789 -1.457 1
1 38 . 16 1 1 A 7 7 LEU H H 5 8.334 8.449 -0.115 1
1 39 . 16 1 1 A 7 7 LEU HA H 5 4.384 4.741 -0.357 1
1 45 . 16 1 1 A 7 7 LEU C C 5 177.424 174.796 2.628 1
1 46 . 16 1 1 A 7 7 LEU CA C 5 55.495 54.529 0.966 1
1 47 . 16 1 1 A 7 7 LEU CB C 5 42.786 45.230 -2.444 1
1 49 . 16 1 1 A 7 7 LEU N N 5 124.942 125.781 -0.839 1
1 50 . 16 1 1 A 8 8 SER H H 6 8.198 8.602 -0.404 1
1 51 . 16 1 1 A 8 8 SER HA H 6 4.407 4.764 -0.357 1
1 54 . 16 1 1 A 8 8 SER C C 6 174.306 173.059 1.247 1
1 55 . 16 1 1 A 8 8 SER CA C 6 58.696 56.181 2.515 1
1 56 . 16 1 1 A 8 8 SER CB C 6 64.136 65.024 -0.888 1
1 57 . 16 1 1 A 8 8 SER N N 6 116.070 118.933 -2.863 1
1 58 . 16 1 1 A 9 9 TYR H H 7 8.005 8.857 -0.852 1
1 59 . 16 1 1 A 9 9 TYR HA H 7 4.547 4.499 0.048 1
1 66 . 16 1 1 A 9 9 TYR C C 7 175.507 176.297 -0.790 1
1 67 . 16 1 1 A 9 9 TYR CA C 7 58.236 60.279 -2.043 1
1 68 . 16 1 1 A 9 9 TYR CB C 7 39.144 38.956 0.188 1
1 71 . 16 1 1 A 9 9 TYR N N 7 122.102 121.695 0.407 1
1 72 . 16 1 1 A 10 10 ARG H H 8 8.142 7.933 0.209 1
1 73 . 16 1 1 A 10 10 ARG HA H 8 4.302 4.408 -0.106 1
1 80 . 16 1 1 A 10 10 ARG C C 8 175.946 175.581 0.365 1
1 81 . 16 1 1 A 10 10 ARG CA C 8 56.102 55.595 0.507 1
1 82 . 16 1 1 A 10 10 ARG CB C 8 31.004 30.778 0.226 1
1 85 . 16 1 1 A 10 10 ARG N N 8 122.105 117.382 4.723 1
1 86 . 16 1 1 A 11 11 CYS H H 9 8.185 8.751 -0.566 1
1 87 . 16 1 1 A 11 11 CYS HA H 9 4.952 5.032 -0.080 1
1 90 . 16 1 1 A 11 11 CYS CA C 9 53.192 54.634 -1.442 1
1 91 . 16 1 1 A 11 11 CYS CB C 9 40.250 43.479 -3.229 1
1 92 . 16 1 1 A 11 11 CYS N N 9 121.511 121.774 -0.263 1
1 93 . 16 1 1 A 12 12 PRO HA H 10 4.315 4.336 -0.021 1
1 100 . 16 1 1 A 12 12 PRO C C 10 177.980 176.844 1.136 1
1 101 . 16 1 1 A 12 12 PRO CA C 10 65.345 65.057 0.288 1
1 102 . 16 1 1 A 12 12 PRO CB C 10 32.575 31.528 1.047 1
1 105 . 16 1 1 A 13 13 CYS H H 11 8.719 7.877 0.842 1
1 106 . 16 1 1 A 13 13 CYS N N 11 115.047 115.753 -0.706 1
1 107 . 16 1 1 A 14 14 ARG HA H 12 4.028 4.545 -0.517 1
1 114 . 16 1 1 A 14 14 ARG C C 12 175.097 175.619 -0.522 1
1 115 . 16 1 1 A 14 14 ARG CA C 12 57.503 56.563 0.940 1
1 116 . 16 1 1 A 14 14 ARG CB C 12 31.289 33.127 -1.838 1
1 119 . 16 1 1 A 15 15 PHE H H 13 7.607 8.103 -0.496 1
1 120 . 16 1 1 A 15 15 PHE HA H 13 4.497 5.057 -0.560 1
1 127 . 16 1 1 A 15 15 PHE C C 13 174.292 175.366 -1.074 1
1 128 . 16 1 1 A 15 15 PHE CA C 13 56.060 56.831 -0.771 1
1 129 . 16 1 1 A 15 15 PHE CB C 13 41.122 41.523 -0.401 1
1 132 . 16 1 1 A 15 15 PHE N N 13 116.487 116.430 0.057 1
1 133 . 16 1 1 A 16 16 PHE H H 14 8.202 9.203 -1.001 1
1 134 . 16 1 1 A 16 16 PHE HA H 14 4.793 5.931 -1.138 1
1 141 . 16 1 1 A 16 16 PHE C C 14 175.433 173.222 2.211 1
1 142 . 16 1 1 A 16 16 PHE CA C 14 55.516 55.246 0.270 1
1 143 . 16 1 1 A 16 16 PHE CB C 14 41.096 42.476 -1.380 1
1 146 . 16 1 1 A 16 16 PHE N N 14 119.591 117.954 1.637 1
1 147 . 16 1 1 A 17 17 GLU H H 15 8.749 9.258 -0.509 1
1 148 . 16 1 1 A 17 17 GLU HA H 15 4.579 4.138 0.441 1
1 153 . 16 1 1 A 17 17 GLU C C 15 176.809 177.697 -0.888 1
1 154 . 16 1 1 A 17 17 GLU CA C 15 56.395 57.088 -0.693 1
1 155 . 16 1 1 A 17 17 GLU CB C 15 30.932 31.123 -0.191 1
1 157 . 16 1 1 A 17 17 GLU N N 15 122.719 122.444 0.275 1
1 158 . 16 1 1 A 18 18 SER H H 16 8.764 8.488 0.276 1
1 159 . 16 1 1 A 18 18 SER HA H 16 4.697 4.010 0.687 1
1 162 . 16 1 1 A 18 18 SER CA C 16 59.637 62.439 -2.802 1
1 163 . 16 1 1 A 18 18 SER CB C 16 64.708 63.081 1.627 1
1 164 . 16 1 1 A 18 18 SER N N 16 118.765 120.948 -2.183 1
1 165 . 16 1 1 A 19 19 HIS H H 17 8.617 7.791 0.826 1
1 166 . 16 1 1 A 19 19 HIS HA H 17 4.770 5.456 -0.686 1
1 171 . 16 1 1 A 19 19 HIS C C 17 174.658 173.337 1.321 1
1 172 . 16 1 1 A 19 19 HIS CA C 17 56.750 54.211 2.539 1
1 173 . 16 1 1 A 19 19 HIS CB C 17 29.718 33.715 -3.997 1
1 176 . 16 1 1 A 19 19 HIS N N 17 119.651 114.492 5.159 1
1 177 . 16 1 1 A 20 20 VAL H H 18 7.360 9.011 -1.651 1
1 178 . 16 1 1 A 20 20 VAL HA H 18 4.100 4.649 -0.549 1
1 186 . 16 1 1 A 20 20 VAL C C 18 174.424 173.345 1.079 1
1 187 . 16 1 1 A 20 20 VAL CA C 18 62.252 60.792 1.460 1
1 188 . 16 1 1 A 20 20 VAL CB C 18 34.146 35.688 -1.542 1
1 191 . 16 1 1 A 20 20 VAL N N 18 121.352 119.919 1.433 1
1 192 . 16 1 1 A 21 21 ALA H H 19 8.570 8.659 -0.089 1
1 193 . 16 1 1 A 21 21 ALA HA H 19 4.345 4.702 -0.357 1
1 197 . 16 1 1 A 21 21 ALA C C 19 177.570 177.581 -0.011 1
1 198 . 16 1 1 A 21 21 ALA CA C 19 50.997 50.423 0.574 1
1 199 . 16 1 1 A 21 21 ALA CB C 19 19.579 20.861 -1.282 1
1 200 . 16 1 1 A 21 21 ALA N N 19 131.401 130.325 1.076 1
1 201 . 16 1 1 A 22 22 ARG H H 20 7.838 7.956 -0.118 1
1 202 . 16 1 1 A 22 22 ARG HA H 20 2.545 3.156 -0.611 1
1 209 . 16 1 1 A 22 22 ARG C C 20 178.258 177.440 0.818 1
1 210 . 16 1 1 A 22 22 ARG CA C 20 59.407 58.204 1.203 1
1 211 . 16 1 1 A 22 22 ARG CB C 20 29.433 29.225 0.208 1
1 214 . 16 1 1 A 22 22 ARG N N 20 124.465 123.260 1.205 1
1 215 . 16 1 1 A 23 23 ALA H H 21 8.203 7.552 0.651 1
1 216 . 16 1 1 A 23 23 ALA HA H 21 4.069 4.072 -0.003 1
1 220 . 16 1 1 A 23 23 ALA C C 21 177.995 178.897 -0.902 1
1 221 . 16 1 1 A 23 23 ALA CA C 21 54.000 53.907 0.093 1
1 222 . 16 1 1 A 23 23 ALA CB C 21 18.722 18.207 0.515 1
1 223 . 16 1 1 A 23 23 ALA N N 21 117.242 121.249 -4.007 1
1 224 . 16 1 1 A 24 24 ASN H H 22 7.739 8.004 -0.265 1
1 225 . 16 1 1 A 24 24 ASN HA H 22 4.988 4.808 0.180 1
1 230 . 16 1 1 A 24 24 ASN C C 22 174.848 175.644 -0.796 1
1 231 . 16 1 1 A 24 24 ASN CA C 22 52.509 54.699 -2.190 1
1 232 . 16 1 1 A 24 24 ASN CB C 22 40.358 39.675 0.683 1
1 233 . 16 1 1 A 24 24 ASN N N 22 112.861 116.047 -3.186 1
1 235 . 16 1 1 A 25 25 VAL H H 23 7.524 7.267 0.257 1
1 236 . 16 1 1 A 25 25 VAL HA H 23 4.272 3.991 0.281 1
1 244 . 16 1 1 A 25 25 VAL C C 23 175.755 175.600 0.155 1
1 245 . 16 1 1 A 25 25 VAL CA C 23 62.859 63.368 -0.509 1
1 246 . 16 1 1 A 25 25 VAL CB C 23 33.432 31.877 1.555 1
1 249 . 16 1 1 A 25 25 VAL N N 23 119.883 118.670 1.213 1
1 250 . 16 1 1 A 26 26 LYS H H 24 9.527 9.008 0.519 1
1 251 . 16 1 1 A 26 26 LYS HA H 24 4.298 4.318 -0.020 1
1 260 . 16 1 1 A 26 26 LYS C C 24 176.634 176.788 -0.154 1
1 261 . 16 1 1 A 26 26 LYS CA C 24 58.989 58.054 0.935 1
1 262 . 16 1 1 A 26 26 LYS CB C 24 34.390 32.828 1.562 1
1 266 . 16 1 1 A 26 26 LYS N N 24 128.312 127.926 0.386 1
1 267 . 16 1 1 A 27 27 HIS H H 25 7.214 7.531 -0.317 1
1 268 . 16 1 1 A 27 27 HIS HA H 25 4.965 5.501 -0.536 1
1 273 . 16 1 1 A 27 27 HIS C C 25 172.740 172.697 0.043 1
1 274 . 16 1 1 A 27 27 HIS CA C 25 55.328 54.775 0.553 1
1 275 . 16 1 1 A 27 27 HIS CB C 25 32.882 31.698 1.184 1
1 278 . 16 1 1 A 27 27 HIS N N 25 109.505 113.441 -3.936 1
1 279 . 16 1 1 A 28 28 LEU H H 26 8.066 8.954 -0.888 1
1 280 . 16 1 1 A 28 28 LEU HA H 26 5.156 5.566 -0.410 1
1 290 . 16 1 1 A 28 28 LEU C C 26 175.346 175.418 -0.072 1
1 291 . 16 1 1 A 28 28 LEU CA C 26 53.466 53.317 0.149 1
1 292 . 16 1 1 A 28 28 LEU CB C 26 45.200 45.231 -0.031 1
1 296 . 16 1 1 A 28 28 LEU N N 26 116.963 120.131 -3.168 1
1 297 . 16 1 1 A 29 29 LYS H H 27 9.549 9.154 0.395 1
1 298 . 16 1 1 A 29 29 LYS HA H 27 5.353 5.218 0.135 1
1 307 . 16 1 1 A 29 29 LYS C C 27 174.716 174.744 -0.028 1
1 308 . 16 1 1 A 29 29 LYS CA C 27 55.118 54.705 0.413 1
1 309 . 16 1 1 A 29 29 LYS CB C 27 35.144 35.486 -0.342 1
1 313 . 16 1 1 A 29 29 LYS N N 27 123.299 123.009 0.290 1
1 314 . 16 1 1 A 30 30 ILE H H 28 9.140 9.032 0.108 1
1 315 . 16 1 1 A 30 30 ILE HA H 28 4.910 5.058 -0.148 1
1 325 . 16 1 1 A 30 30 ILE C C 28 176.970 175.287 1.683 1
1 326 . 16 1 1 A 30 30 ILE CA C 28 60.390 59.519 0.871 1
1 327 . 16 1 1 A 30 30 ILE CB C 28 39.603 38.323 1.280 1
1 331 . 16 1 1 A 30 30 ILE N N 28 123.823 127.849 -4.026 1
1 332 . 16 1 1 A 31 31 LEU H H 29 8.866 9.279 -0.413 1
1 333 . 16 1 1 A 31 31 LEU HA H 29 4.580 4.434 0.146 1
1 342 . 16 1 1 A 31 31 LEU C C 29 175.975 176.407 -0.432 1
1 343 . 16 1 1 A 31 31 LEU CA C 29 55.474 54.266 1.208 1
1 344 . 16 1 1 A 31 31 LEU CB C 29 42.749 42.394 0.355 1
1 347 . 16 1 1 A 31 31 LEU N N 29 128.835 129.107 -0.272 1
1 348 . 16 1 1 A 32 32 ASN H H 30 8.211 8.638 -0.427 1
1 349 . 16 1 1 A 32 32 ASN HA H 30 4.998 4.924 0.074 1
1 354 . 16 1 1 A 32 32 ASN C C 30 174.658 174.552 0.106 1
1 355 . 16 1 1 A 32 32 ASN CA C 30 52.524 52.385 0.139 1
1 356 . 16 1 1 A 32 32 ASN CB C 30 38.978 38.945 0.033 1
1 357 . 16 1 1 A 32 32 ASN N N 30 120.696 122.409 -1.713 1
1 359 . 16 1 1 A 33 33 THR H H 31 7.925 8.183 -0.258 1
1 360 . 16 1 1 A 33 33 THR HA H 31 4.784 5.032 -0.248 1
1 365 . 16 1 1 A 33 33 THR CA C 31 58.046 58.288 -0.242 1
1 366 . 16 1 1 A 33 33 THR CB C 31 70.341 70.877 -0.536 1
1 368 . 16 1 1 A 33 33 THR N N 31 116.303 116.573 -0.270 1
1 369 . 16 1 1 A 34 34 PRO HA H 32 4.300 4.347 -0.047 1
1 376 . 16 1 1 A 34 34 PRO C C 32 176.765 177.125 -0.360 1
1 377 . 16 1 1 A 34 34 PRO CA C 32 65.164 64.917 0.247 1
1 378 . 16 1 1 A 34 34 PRO CB C 32 32.484 31.743 0.741 1
1 381 . 16 1 1 A 35 35 ASN H H 33 8.294 8.314 -0.020 1
1 382 . 16 1 1 A 35 35 ASN C C 33 174.541 173.824 0.717 1
1 383 . 16 1 1 A 35 35 ASN N N 33 120.212 113.874 6.338 1
1 384 . 16 1 1 A 36 36 CYS H H 34 7.561 7.694 -0.133 1
1 385 . 16 1 1 A 36 36 CYS HA H 34 4.884 5.042 -0.158 1
1 388 . 16 1 1 A 36 36 CYS C C 34 173.838 171.898 1.940 1
1 389 . 16 1 1 A 36 36 CYS CA C 34 55.139 54.840 0.299 1
1 390 . 16 1 1 A 36 36 CYS CB C 34 45.200 46.374 -1.174 1
1 391 . 16 1 1 A 36 36 CYS N N 34 116.986 118.552 -1.566 1
1 392 . 16 1 1 A 37 37 ALA H H 35 8.520 8.484 0.036 1
1 393 . 16 1 1 A 37 37 ALA HA H 35 4.233 4.680 -0.447 1
1 397 . 16 1 1 A 37 37 ALA C C 35 176.326 177.278 -0.952 1
1 398 . 16 1 1 A 37 37 ALA CA C 35 53.152 50.892 2.260 1
1 399 . 16 1 1 A 37 37 ALA CB C 35 18.930 19.488 -0.558 1
1 400 . 16 1 1 A 37 37 ALA N N 35 125.167 126.202 -1.035 1
1 401 . 16 1 1 A 38 38 CYS H H 36 8.343 8.124 0.219 1
1 402 . 16 1 1 A 38 38 CYS HA H 36 4.213 4.067 0.146 1
1 405 . 16 1 1 A 38 38 CYS C C 36 173.589 173.559 0.030 1
1 406 . 16 1 1 A 38 38 CYS CA C 36 58.487 59.903 -1.416 1
1 407 . 16 1 1 A 38 38 CYS CB C 36 45.702 26.299 19.403 1
1 408 . 16 1 1 A 38 38 CYS N N 36 118.786 122.708 -3.922 1
1 409 . 16 1 1 A 39 39 GLN H H 37 8.988 8.913 0.075 1
1 410 . 16 1 1 A 39 39 GLN HA H 37 4.573 4.945 -0.372 1
1 417 . 16 1 1 A 39 39 GLN C C 37 173.545 174.623 -1.078 1
1 418 . 16 1 1 A 39 39 GLN CA C 37 54.491 54.586 -0.095 1
1 419 . 16 1 1 A 39 39 GLN CB C 37 31.876 30.796 1.080 1
1 421 . 16 1 1 A 39 39 GLN N N 37 128.825 124.757 4.068 1
1 423 . 16 1 1 A 40 40 ILE H H 38 8.967 9.041 -0.074 1
1 424 . 16 1 1 A 40 40 ILE HA H 38 5.095 5.126 -0.031 1
1 434 . 16 1 1 A 40 40 ILE C C 38 174.336 174.706 -0.370 1
1 435 . 16 1 1 A 40 40 ILE CA C 38 60.620 59.956 0.664 1
1 436 . 16 1 1 A 40 40 ILE CB C 38 40.235 40.532 -0.297 1
1 440 . 16 1 1 A 40 40 ILE N N 38 124.006 124.975 -0.969 1
1 441 . 16 1 1 A 41 41 VAL H H 39 9.130 9.208 -0.078 1
1 442 . 16 1 1 A 41 41 VAL HA H 39 4.926 4.884 0.042 1
1 450 . 16 1 1 A 41 41 VAL C C 39 175.492 174.394 1.098 1
1 451 . 16 1 1 A 41 41 VAL CA C 39 59.993 61.073 -1.080 1
1 452 . 16 1 1 A 41 41 VAL CB C 39 35.270 34.152 1.118 1
1 455 . 16 1 1 A 41 41 VAL N N 39 125.973 128.122 -2.149 1
1 456 . 16 1 1 A 42 42 ALA H H 40 9.558 9.292 0.266 1
1 457 . 16 1 1 A 42 42 ALA HA H 40 5.123 5.284 -0.161 1
1 461 . 16 1 1 A 42 42 ALA C C 40 175.931 175.368 0.563 1
1 462 . 16 1 1 A 42 42 ALA CA C 40 50.558 50.013 0.545 1
1 463 . 16 1 1 A 42 42 ALA CB C 40 22.072 21.287 0.785 1
1 464 . 16 1 1 A 42 42 ALA N N 40 128.264 129.061 -0.797 1
1 465 . 16 1 1 A 43 43 ARG H H 41 7.707 8.513 -0.806 1
1 466 . 16 1 1 A 43 43 ARG HA H 41 4.966 4.790 0.176 1
1 473 . 16 1 1 A 43 43 ARG C C 41 175.477 175.174 0.303 1
1 474 . 16 1 1 A 43 43 ARG CA C 41 54.000 54.393 -0.393 1
1 475 . 16 1 1 A 43 43 ARG CB C 41 31.122 32.301 -1.179 1
1 478 . 16 1 1 A 43 43 ARG N N 41 121.647 123.543 -1.896 1
1 479 . 16 1 1 A 44 44 LEU H H 42 9.183 8.548 0.635 1
1 480 . 16 1 1 A 44 44 LEU HA H 42 5.009 4.793 0.216 1
1 490 . 16 1 1 A 44 44 LEU C C 42 177.848 178.000 -0.152 1
1 491 . 16 1 1 A 44 44 LEU CA C 42 54.596 53.809 0.787 1
1 492 . 16 1 1 A 44 44 LEU CB C 42 41.806 42.235 -0.429 1
1 496 . 16 1 1 A 44 44 LEU N N 42 128.821 127.880 0.941 1
1 497 . 16 1 1 A 45 45 LYS H H 43 8.449 8.823 -0.374 1
1 498 . 16 1 1 A 45 45 LYS N N 43 119.659 119.945 -0.286 1
1 499 . 16 1 1 A 48 48 ASN HA H 46 4.716 4.718 -0.002 1
1 504 . 16 1 1 A 48 48 ASN C C 46 175.155 175.578 -0.423 1
1 505 . 16 1 1 A 48 48 ASN CA C 46 54.616 52.957 1.659 1
1 506 . 16 1 1 A 48 48 ASN CB C 46 39.292 38.407 0.885 1
1 508 . 16 1 1 A 49 49 ARG H H 47 7.926 8.008 -0.082 1
1 509 . 16 1 1 A 49 49 ARG HA H 47 4.274 4.062 0.212 1
1 516 . 16 1 1 A 49 49 ARG C C 47 175.433 175.310 0.123 1
1 517 . 16 1 1 A 49 49 ARG CA C 47 57.252 58.112 -0.860 1
1 518 . 16 1 1 A 49 49 ARG CB C 47 32.128 28.791 3.337 1
1 521 . 16 1 1 A 49 49 ARG N N 47 120.086 117.761 2.325 1
1 522 . 16 1 1 A 50 50 GLN H H 48 8.542 8.441 0.101 1
1 523 . 16 1 1 A 50 50 GLN HA H 48 5.478 5.004 0.474 1
1 528 . 16 1 1 A 50 50 GLN C C 48 175.697 175.348 0.349 1
1 529 . 16 1 1 A 50 50 GLN CA C 48 55.077 54.480 0.597 1
1 530 . 16 1 1 A 50 50 GLN CB C 48 31.751 30.661 1.090 1
1 532 . 16 1 1 A 50 50 GLN N N 48 120.774 121.783 -1.009 1
1 533 . 16 1 1 A 51 51 VAL H H 49 8.710 9.119 -0.409 1
1 534 . 16 1 1 A 51 51 VAL HA H 49 4.781 4.812 -0.031 1
1 542 . 16 1 1 A 51 51 VAL C C 49 175.185 173.461 1.724 1
1 543 . 16 1 1 A 51 51 VAL CA C 49 59.344 58.966 0.378 1
1 544 . 16 1 1 A 51 51 VAL CB C 49 36.024 35.645 0.379 1
1 547 . 16 1 1 A 51 51 VAL N N 49 117.392 118.831 -1.439 1
1 548 . 16 1 1 A 52 52 CYS H H 50 9.184 8.905 0.279 1
1 549 . 16 1 1 A 52 52 CYS HA H 50 5.313 5.381 -0.068 1
1 552 . 16 1 1 A 52 52 CYS C C 50 174.380 173.449 0.931 1
1 553 . 16 1 1 A 52 52 CYS CA C 50 57.984 54.205 3.779 1
1 554 . 16 1 1 A 52 52 CYS CB C 50 42.661 45.240 -2.579 1
1 555 . 16 1 1 A 52 52 CYS N N 50 124.238 120.729 3.509 1
1 556 . 16 1 1 A 53 53 ILE H H 51 8.434 9.455 -1.021 1
1 557 . 16 1 1 A 53 53 ILE HA H 51 4.928 5.271 -0.343 1
1 567 . 16 1 1 A 53 53 ILE C C 51 172.931 173.356 -0.425 1
1 568 . 16 1 1 A 53 53 ILE CA C 51 58.675 59.103 -0.428 1
1 569 . 16 1 1 A 53 53 ILE CB C 51 42.309 41.562 0.747 1
1 573 . 16 1 1 A 53 53 ILE N N 51 122.034 121.532 0.502 1
1 574 . 16 1 1 A 54 54 ASP H H 52 7.702 8.653 -0.951 1
1 575 . 16 1 1 A 54 54 ASP HA H 52 3.426 4.852 -1.426 1
1 578 . 16 1 1 A 54 54 ASP CA C 52 51.251 50.324 0.927 1
1 579 . 16 1 1 A 54 54 ASP CB C 52 42.515 41.528 0.987 1
1 580 . 16 1 1 A 54 54 ASP N N 52 125.815 122.708 3.107 1
1 581 . 16 1 1 A 55 55 PRO HA H 53 3.986 4.134 -0.148 1
1 588 . 16 1 1 A 55 55 PRO C C 53 176.034 177.753 -1.719 1
1 589 . 16 1 1 A 55 55 PRO CA C 53 63.947 64.324 -0.377 1
1 590 . 16 1 1 A 55 55 PRO CB C 53 33.000 31.826 1.174 1
1 593 . 16 1 1 A 56 56 LYS H H 54 7.889 8.298 -0.409 1
1 594 . 16 1 1 A 56 56 LYS HA H 54 3.993 4.165 -0.172 1
1 603 . 16 1 1 A 56 56 LYS C C 54 177.922 176.574 1.348 1
1 604 . 16 1 1 A 56 56 LYS CA C 54 56.729 57.103 -0.374 1
1 605 . 16 1 1 A 56 56 LYS CB C 54 31.751 32.529 -0.778 1
1 609 . 16 1 1 A 56 56 LYS N N 54 112.456 116.263 -3.807 1
1 610 . 16 1 1 A 57 57 LEU H H 55 7.157 7.006 0.151 1
1 611 . 16 1 1 A 57 57 LEU HA H 55 4.040 4.100 -0.060 1
1 621 . 16 1 1 A 57 57 LEU C C 55 179.268 177.415 1.853 1
1 622 . 16 1 1 A 57 57 LEU CA C 55 55.997 55.102 0.895 1
1 623 . 16 1 1 A 57 57 LEU CB C 55 42.309 41.479 0.830 1
1 627 . 16 1 1 A 57 57 LEU N N 55 120.452 121.298 -0.846 1
1 628 . 16 1 1 A 58 58 LYS H H 56 8.731 8.959 -0.228 1
1 629 . 16 1 1 A 58 58 LYS HA H 56 3.913 3.922 -0.009 1
1 638 . 16 1 1 A 58 58 LYS C C 56 178.917 178.269 0.648 1
1 639 . 16 1 1 A 58 58 LYS CA C 56 60.202 59.688 0.514 1
1 640 . 16 1 1 A 58 58 LYS CB C 56 32.253 32.207 0.046 1
1 644 . 16 1 1 A 58 58 LYS N N 56 125.307 125.934 -0.627 1
1 645 . 16 1 1 A 59 59 TRP H H 57 7.884 8.312 -0.428 1
1 646 . 16 1 1 A 59 59 TRP HA H 57 4.637 4.871 -0.234 1
1 654 . 16 1 1 A 59 59 TRP C C 57 178.829 179.538 -0.709 1
1 655 . 16 1 1 A 59 59 TRP CA C 57 58.779 59.906 -1.127 1
1 656 . 16 1 1 A 59 59 TRP CB C 57 27.854 28.188 -0.334 1
1 662 . 16 1 1 A 59 59 TRP N N 57 113.503 119.116 -5.613 1
1 663 . 16 1 1 A 60 60 ILE H H 58 6.449 7.503 -1.054 1
1 664 . 16 1 1 A 60 60 ILE HA H 58 3.284 3.111 0.173 1
1 674 . 16 1 1 A 60 60 ILE C C 58 177.687 177.791 -0.104 1
1 675 . 16 1 1 A 60 60 ILE CA C 58 64.177 64.891 -0.714 1
1 676 . 16 1 1 A 60 60 ILE CB C 58 35.710 37.340 -1.630 1
1 680 . 16 1 1 A 60 60 ILE N N 58 124.379 122.416 1.963 1
1 681 . 16 1 1 A 61 61 GLN H H 59 7.646 7.757 -0.111 1
1 682 . 16 1 1 A 61 61 GLN HA H 59 3.738 4.042 -0.304 1
1 689 . 16 1 1 A 61 61 GLN C C 59 178.361 178.992 -0.631 1
1 690 . 16 1 1 A 61 61 GLN CA C 59 59.302 59.116 0.186 1
1 691 . 16 1 1 A 61 61 GLN CB C 59 28.357 28.040 0.317 1
1 693 . 16 1 1 A 61 61 GLN N N 59 118.966 118.465 0.501 1
1 695 . 16 1 1 A 62 62 GLU H H 60 8.075 7.779 0.296 1
1 696 . 16 1 1 A 62 62 GLU HA H 60 4.076 4.170 -0.094 1
1 701 . 16 1 1 A 62 62 GLU C C 60 179.019 178.386 0.633 1
1 702 . 16 1 1 A 62 62 GLU CA C 60 59.637 58.810 0.827 1
1 703 . 16 1 1 A 62 62 GLU CB C 60 30.368 29.548 0.820 1
1 705 . 16 1 1 A 62 62 GLU N N 60 117.105 121.007 -3.902 1
1 706 . 16 1 1 A 63 63 TYR H H 61 7.922 8.165 -0.243 1
1 707 . 16 1 1 A 63 63 TYR HA H 61 4.237 4.318 -0.081 1
1 714 . 16 1 1 A 63 63 TYR C C 61 178.551 177.827 0.724 1
1 715 . 16 1 1 A 63 63 TYR CA C 61 61.206 61.583 -0.377 1
1 716 . 16 1 1 A 63 63 TYR CB C 61 39.669 38.910 0.759 1
1 719 . 16 1 1 A 63 63 TYR N N 61 121.402 122.909 -1.507 1
1 720 . 16 1 1 A 64 64 LEU H H 62 8.227 7.898 0.329 1
1 721 . 16 1 1 A 64 64 LEU HA H 62 3.957 4.247 -0.290 1
1 731 . 16 1 1 A 64 64 LEU C C 62 179.458 178.992 0.466 1
1 732 . 16 1 1 A 64 64 LEU CA C 62 57.880 58.077 -0.197 1
1 733 . 16 1 1 A 64 64 LEU CB C 62 42.434 41.231 1.203 1
1 737 . 16 1 1 A 64 64 LEU N N 62 116.209 119.616 -3.407 1
1 738 . 16 1 1 A 65 65 GLU H H 63 8.472 8.356 0.116 1
1 739 . 16 1 1 A 65 65 GLU HA H 63 3.827 4.058 -0.231 1
1 744 . 16 1 1 A 65 65 GLU C C 63 179.166 178.805 0.361 1
1 745 . 16 1 1 A 65 65 GLU CA C 63 60.265 59.615 0.650 1
1 746 . 16 1 1 A 65 65 GLU CB C 63 29.739 29.238 0.501 1
1 748 . 16 1 1 A 65 65 GLU N N 63 118.559 119.324 -0.765 1
1 749 . 16 1 1 A 66 66 LYS H H 64 7.554 7.736 -0.182 1
1 750 . 16 1 1 A 66 66 LYS HA H 64 4.215 4.287 -0.072 1
1 759 . 16 1 1 A 66 66 LYS C C 64 178.302 177.272 1.030 1
1 760 . 16 1 1 A 66 66 LYS CA C 64 58.481 58.135 0.346 1
1 761 . 16 1 1 A 66 66 LYS CB C 64 32.505 32.207 0.298 1
1 765 . 16 1 1 A 66 66 LYS N N 64 117.056 117.452 -0.396 1
1 766 . 16 1 1 A 67 67 CYS H H 65 7.918 7.901 0.017 1
1 767 . 16 1 1 A 67 67 CYS HA H 65 4.532 4.671 -0.139 1
1 770 . 16 1 1 A 67 67 CYS C C 65 174.775 174.402 0.373 1
1 771 . 16 1 1 A 67 67 CYS CA C 65 56.102 58.148 -2.046 1
1 772 . 16 1 1 A 67 67 CYS CB C 65 45.325 28.167 17.158 1
1 773 . 16 1 1 A 67 67 CYS N N 65 115.236 116.760 -1.524 1
1 774 . 16 1 1 A 68 68 LEU H H 66 7.558 7.419 0.139 1
1 775 . 16 1 1 A 68 68 LEU HA H 66 4.520 4.474 0.046 1
1 785 . 16 1 1 A 68 68 LEU C C 66 176.765 176.720 0.045 1
1 786 . 16 1 1 A 68 68 LEU CA C 66 55.202 54.117 1.085 1
1 787 . 16 1 1 A 68 68 LEU CB C 66 43.314 41.712 1.602 1
1 791 . 16 1 1 A 68 68 LEU N N 66 121.130 122.019 -0.889 1
1 792 . 16 1 1 A 69 69 ASN H H 67 8.306 8.944 -0.638 1
1 793 . 16 1 1 A 69 69 ASN HA H 67 4.639 4.407 0.232 1
1 798 . 16 1 1 A 69 69 ASN C C 67 174.189 173.716 0.473 1
1 799 . 16 1 1 A 69 69 ASN CA C 67 53.654 54.477 -0.823 1
1 800 . 16 1 1 A 69 69 ASN CB C 67 38.978 36.565 2.413 1
1 801 . 16 1 1 A 69 69 ASN N N 67 120.313 121.784 -1.471 1
1 3 . 17 1 1 A 4 4 PRO HA H 2 4.490 4.697 -0.207 1
1 10 . 17 1 1 A 4 4 PRO C C 2 177.102 176.213 0.889 1
1 11 . 17 1 1 A 4 4 PRO CA C 2 63.319 63.507 -0.188 1
1 12 . 17 1 1 A 4 4 PRO CB C 2 32.575 32.305 0.270 1
1 15 . 17 1 1 A 5 5 VAL H H 3 8.259 7.665 0.594 1
1 16 . 17 1 1 A 5 5 VAL HA H 3 4.117 4.075 0.042 1
1 24 . 17 1 1 A 5 5 VAL C C 3 176.385 175.441 0.944 1
1 25 . 17 1 1 A 5 5 VAL CA C 3 62.629 61.748 0.881 1
1 26 . 17 1 1 A 5 5 VAL CB C 3 33.146 32.488 0.658 1
1 29 . 17 1 1 A 5 5 VAL N N 3 120.806 120.200 0.606 1
1 30 . 17 1 1 A 6 6 SER H H 4 8.345 8.826 -0.481 1
1 31 . 17 1 1 A 6 6 SER HA H 4 4.479 4.920 -0.441 1
1 34 . 17 1 1 A 6 6 SER C C 4 174.687 173.041 1.646 1
1 35 . 17 1 1 A 6 6 SER CA C 4 58.340 56.785 1.555 1
1 36 . 17 1 1 A 6 6 SER CB C 4 64.208 63.921 0.287 1
1 37 . 17 1 1 A 6 6 SER N N 4 119.332 120.495 -1.163 1
1 38 . 17 1 1 A 7 7 LEU H H 5 8.334 8.882 -0.548 1
1 39 . 17 1 1 A 7 7 LEU HA H 5 4.384 4.964 -0.580 1
1 45 . 17 1 1 A 7 7 LEU C C 5 177.424 176.105 1.319 1
1 46 . 17 1 1 A 7 7 LEU CA C 5 55.495 53.326 2.169 1
1 47 . 17 1 1 A 7 7 LEU CB C 5 42.786 45.422 -2.636 1
1 49 . 17 1 1 A 7 7 LEU N N 5 124.942 129.025 -4.083 1
1 50 . 17 1 1 A 8 8 SER H H 6 8.198 8.623 -0.425 1
1 51 . 17 1 1 A 8 8 SER HA H 6 4.407 4.439 -0.032 1
1 54 . 17 1 1 A 8 8 SER C C 6 174.306 174.384 -0.078 1
1 55 . 17 1 1 A 8 8 SER CA C 6 58.696 59.275 -0.579 1
1 56 . 17 1 1 A 8 8 SER CB C 6 64.136 62.968 1.168 1
1 57 . 17 1 1 A 8 8 SER N N 6 116.070 114.883 1.187 1
1 58 . 17 1 1 A 9 9 TYR H H 7 8.005 8.761 -0.756 1
1 59 . 17 1 1 A 9 9 TYR HA H 7 4.547 4.359 0.188 1
1 66 . 17 1 1 A 9 9 TYR C C 7 175.507 174.644 0.863 1
1 67 . 17 1 1 A 9 9 TYR CA C 7 58.236 59.270 -1.034 1
1 68 . 17 1 1 A 9 9 TYR CB C 7 39.144 38.002 1.142 1
1 71 . 17 1 1 A 9 9 TYR N N 7 122.102 122.437 -0.335 1
1 72 . 17 1 1 A 10 10 ARG H H 8 8.142 7.389 0.753 1
1 73 . 17 1 1 A 10 10 ARG HA H 8 4.302 4.478 -0.176 1
1 80 . 17 1 1 A 10 10 ARG C C 8 175.946 175.133 0.813 1
1 81 . 17 1 1 A 10 10 ARG CA C 8 56.102 55.552 0.550 1
1 82 . 17 1 1 A 10 10 ARG CB C 8 31.004 31.492 -0.488 1
1 85 . 17 1 1 A 10 10 ARG N N 8 122.105 121.530 0.575 1
1 86 . 17 1 1 A 11 11 CYS H H 9 8.185 8.478 -0.293 1
1 87 . 17 1 1 A 11 11 CYS HA H 9 4.952 5.026 -0.074 1
1 90 . 17 1 1 A 11 11 CYS CA C 9 53.192 54.003 -0.811 1
1 91 . 17 1 1 A 11 11 CYS CB C 9 40.250 43.427 -3.177 1
1 92 . 17 1 1 A 11 11 CYS N N 9 121.511 124.807 -3.296 1
1 93 . 17 1 1 A 12 12 PRO HA H 10 4.315 4.332 -0.017 1
1 100 . 17 1 1 A 12 12 PRO C C 10 177.980 176.517 1.463 1
1 101 . 17 1 1 A 12 12 PRO CA C 10 65.345 65.815 -0.470 1
1 102 . 17 1 1 A 12 12 PRO CB C 10 32.575 30.996 1.579 1
1 105 . 17 1 1 A 13 13 CYS H H 11 8.719 7.838 0.881 1
1 106 . 17 1 1 A 13 13 CYS N N 11 115.047 112.298 2.749 1
1 107 . 17 1 1 A 14 14 ARG HA H 12 4.028 4.522 -0.494 1
1 114 . 17 1 1 A 14 14 ARG C C 12 175.097 175.553 -0.456 1
1 115 . 17 1 1 A 14 14 ARG CA C 12 57.503 56.332 1.171 1
1 116 . 17 1 1 A 14 14 ARG CB C 12 31.289 32.806 -1.517 1
1 119 . 17 1 1 A 15 15 PHE H H 13 7.607 7.928 -0.321 1
1 120 . 17 1 1 A 15 15 PHE HA H 13 4.497 5.041 -0.544 1
1 127 . 17 1 1 A 15 15 PHE C C 13 174.292 175.282 -0.990 1
1 128 . 17 1 1 A 15 15 PHE CA C 13 56.060 56.279 -0.219 1
1 129 . 17 1 1 A 15 15 PHE CB C 13 41.122 41.047 0.075 1
1 132 . 17 1 1 A 15 15 PHE N N 13 116.487 117.524 -1.037 1
1 133 . 17 1 1 A 16 16 PHE H H 14 8.202 9.101 -0.899 1
1 134 . 17 1 1 A 16 16 PHE HA H 14 4.793 6.041 -1.248 1
1 141 . 17 1 1 A 16 16 PHE C C 14 175.433 173.334 2.099 1
1 142 . 17 1 1 A 16 16 PHE CA C 14 55.516 55.200 0.316 1
1 143 . 17 1 1 A 16 16 PHE CB C 14 41.096 42.367 -1.271 1
1 146 . 17 1 1 A 16 16 PHE N N 14 119.591 119.378 0.213 1
1 147 . 17 1 1 A 17 17 GLU H H 15 8.749 9.653 -0.904 1
1 148 . 17 1 1 A 17 17 GLU HA H 15 4.579 4.605 -0.026 1
1 153 . 17 1 1 A 17 17 GLU C C 15 176.809 176.734 0.075 1
1 154 . 17 1 1 A 17 17 GLU CA C 15 56.395 55.651 0.744 1
1 155 . 17 1 1 A 17 17 GLU CB C 15 30.932 31.454 -0.522 1
1 157 . 17 1 1 A 17 17 GLU N N 15 122.719 122.122 0.597 1
1 158 . 17 1 1 A 18 18 SER H H 16 8.764 8.630 0.134 1
1 159 . 17 1 1 A 18 18 SER HA H 16 4.697 4.790 -0.093 1
1 162 . 17 1 1 A 18 18 SER CA C 16 59.637 59.214 0.423 1
1 163 . 17 1 1 A 18 18 SER CB C 16 64.708 64.028 0.680 1
1 164 . 17 1 1 A 18 18 SER N N 16 118.765 119.997 -1.232 1
1 165 . 17 1 1 A 19 19 HIS H H 17 8.617 7.461 1.156 1
1 166 . 17 1 1 A 19 19 HIS HA H 17 4.770 4.784 -0.014 1
1 171 . 17 1 1 A 19 19 HIS C C 17 174.658 174.230 0.428 1
1 172 . 17 1 1 A 19 19 HIS CA C 17 56.750 54.645 2.105 1
1 173 . 17 1 1 A 19 19 HIS CB C 17 29.718 29.390 0.328 1
1 176 . 17 1 1 A 19 19 HIS N N 17 119.651 122.067 -2.416 1
1 177 . 17 1 1 A 20 20 VAL H H 18 7.360 7.963 -0.603 1
1 178 . 17 1 1 A 20 20 VAL HA H 18 4.100 4.510 -0.410 1
1 186 . 17 1 1 A 20 20 VAL C C 18 174.424 173.420 1.004 1
1 187 . 17 1 1 A 20 20 VAL CA C 18 62.252 60.624 1.628 1
1 188 . 17 1 1 A 20 20 VAL CB C 18 34.146 34.977 -0.831 1
1 191 . 17 1 1 A 20 20 VAL N N 18 121.352 124.627 -3.275 1
1 192 . 17 1 1 A 21 21 ALA H H 19 8.570 8.437 0.133 1
1 193 . 17 1 1 A 21 21 ALA HA H 19 4.345 4.445 -0.100 1
1 197 . 17 1 1 A 21 21 ALA C C 19 177.570 177.009 0.561 1
1 198 . 17 1 1 A 21 21 ALA CA C 19 50.997 50.792 0.205 1
1 199 . 17 1 1 A 21 21 ALA CB C 19 19.579 22.563 -2.984 1
1 200 . 17 1 1 A 21 21 ALA N N 19 131.401 127.153 4.248 1
1 201 . 17 1 1 A 22 22 ARG H H 20 7.838 7.920 -0.082 1
1 202 . 17 1 1 A 22 22 ARG HA H 20 2.545 3.290 -0.745 1
1 209 . 17 1 1 A 22 22 ARG C C 20 178.258 177.133 1.125 1
1 210 . 17 1 1 A 22 22 ARG CA C 20 59.407 57.781 1.626 1
1 211 . 17 1 1 A 22 22 ARG CB C 20 29.433 29.307 0.126 1
1 214 . 17 1 1 A 22 22 ARG N N 20 124.465 119.696 4.769 1
1 215 . 17 1 1 A 23 23 ALA H H 21 8.203 7.369 0.834 1
1 216 . 17 1 1 A 23 23 ALA HA H 21 4.069 4.124 -0.055 1
1 220 . 17 1 1 A 23 23 ALA C C 21 177.995 178.075 -0.080 1
1 221 . 17 1 1 A 23 23 ALA CA C 21 54.000 53.319 0.681 1
1 222 . 17 1 1 A 23 23 ALA CB C 21 18.722 18.500 0.222 1
1 223 . 17 1 1 A 23 23 ALA N N 21 117.242 121.454 -4.212 1
1 224 . 17 1 1 A 24 24 ASN H H 22 7.739 7.799 -0.060 1
1 225 . 17 1 1 A 24 24 ASN HA H 22 4.988 4.837 0.151 1
1 230 . 17 1 1 A 24 24 ASN C C 22 174.848 175.103 -0.255 1
1 231 . 17 1 1 A 24 24 ASN CA C 22 52.509 53.366 -0.857 1
1 232 . 17 1 1 A 24 24 ASN CB C 22 40.358 39.854 0.504 1
1 233 . 17 1 1 A 24 24 ASN N N 22 112.861 115.078 -2.217 1
1 235 . 17 1 1 A 25 25 VAL H H 23 7.524 7.292 0.232 1
1 236 . 17 1 1 A 25 25 VAL HA H 23 4.272 4.116 0.156 1
1 244 . 17 1 1 A 25 25 VAL C C 23 175.755 175.503 0.252 1
1 245 . 17 1 1 A 25 25 VAL CA C 23 62.859 62.070 0.789 1
1 246 . 17 1 1 A 25 25 VAL CB C 23 33.432 32.673 0.759 1
1 249 . 17 1 1 A 25 25 VAL N N 23 119.883 119.236 0.647 1
1 250 . 17 1 1 A 26 26 LYS H H 24 9.527 9.177 0.350 1
1 251 . 17 1 1 A 26 26 LYS HA H 24 4.298 4.515 -0.217 1
1 260 . 17 1 1 A 26 26 LYS C C 24 176.634 176.649 -0.015 1
1 261 . 17 1 1 A 26 26 LYS CA C 24 58.989 57.442 1.547 1
1 262 . 17 1 1 A 26 26 LYS CB C 24 34.390 33.616 0.774 1
1 266 . 17 1 1 A 26 26 LYS N N 24 128.312 126.892 1.420 1
1 267 . 17 1 1 A 27 27 HIS H H 25 7.214 7.540 -0.326 1
1 268 . 17 1 1 A 27 27 HIS HA H 25 4.965 5.029 -0.064 1
1 273 . 17 1 1 A 27 27 HIS C C 25 172.740 172.647 0.093 1
1 274 . 17 1 1 A 27 27 HIS CA C 25 55.328 54.822 0.506 1
1 275 . 17 1 1 A 27 27 HIS CB C 25 32.882 31.203 1.679 1
1 278 . 17 1 1 A 27 27 HIS N N 25 109.505 113.764 -4.259 1
1 279 . 17 1 1 A 28 28 LEU H H 26 8.066 8.818 -0.752 1
1 280 . 17 1 1 A 28 28 LEU HA H 26 5.156 5.357 -0.201 1
1 290 . 17 1 1 A 28 28 LEU C C 26 175.346 175.426 -0.080 1
1 291 . 17 1 1 A 28 28 LEU CA C 26 53.466 53.300 0.166 1
1 292 . 17 1 1 A 28 28 LEU CB C 26 45.200 45.386 -0.186 1
1 296 . 17 1 1 A 28 28 LEU N N 26 116.963 119.898 -2.935 1
1 297 . 17 1 1 A 29 29 LYS H H 27 9.549 9.191 0.358 1
1 298 . 17 1 1 A 29 29 LYS HA H 27 5.353 5.259 0.094 1
1 307 . 17 1 1 A 29 29 LYS C C 27 174.716 174.666 0.050 1
1 308 . 17 1 1 A 29 29 LYS CA C 27 55.118 54.791 0.327 1
1 309 . 17 1 1 A 29 29 LYS CB C 27 35.144 35.960 -0.816 1
1 313 . 17 1 1 A 29 29 LYS N N 27 123.299 122.806 0.493 1
1 314 . 17 1 1 A 30 30 ILE H H 28 9.140 9.001 0.139 1
1 315 . 17 1 1 A 30 30 ILE HA H 28 4.910 4.925 -0.015 1
1 325 . 17 1 1 A 30 30 ILE C C 28 176.970 175.628 1.342 1
1 326 . 17 1 1 A 30 30 ILE CA C 28 60.390 59.552 0.838 1
1 327 . 17 1 1 A 30 30 ILE CB C 28 39.603 38.407 1.196 1
1 331 . 17 1 1 A 30 30 ILE N N 28 123.823 127.571 -3.748 1
1 332 . 17 1 1 A 31 31 LEU H H 29 8.866 9.437 -0.571 1
1 333 . 17 1 1 A 31 31 LEU HA H 29 4.580 4.403 0.177 1
1 342 . 17 1 1 A 31 31 LEU C C 29 175.975 176.594 -0.619 1
1 343 . 17 1 1 A 31 31 LEU CA C 29 55.474 54.453 1.021 1
1 344 . 17 1 1 A 31 31 LEU CB C 29 42.749 42.315 0.434 1
1 347 . 17 1 1 A 31 31 LEU N N 29 128.835 129.136 -0.301 1
1 348 . 17 1 1 A 32 32 ASN H H 30 8.211 8.640 -0.429 1
1 349 . 17 1 1 A 32 32 ASN HA H 30 4.998 4.940 0.058 1
1 354 . 17 1 1 A 32 32 ASN C C 30 174.658 174.697 -0.039 1
1 355 . 17 1 1 A 32 32 ASN CA C 30 52.524 52.340 0.184 1
1 356 . 17 1 1 A 32 32 ASN CB C 30 38.978 39.071 -0.093 1
1 357 . 17 1 1 A 32 32 ASN N N 30 120.696 122.662 -1.966 1
1 359 . 17 1 1 A 33 33 THR H H 31 7.925 8.246 -0.321 1
1 360 . 17 1 1 A 33 33 THR HA H 31 4.784 5.043 -0.259 1
1 365 . 17 1 1 A 33 33 THR CA C 31 58.046 58.241 -0.195 1
1 366 . 17 1 1 A 33 33 THR CB C 31 70.341 70.723 -0.382 1
1 368 . 17 1 1 A 33 33 THR N N 31 116.303 116.892 -0.589 1
1 369 . 17 1 1 A 34 34 PRO HA H 32 4.300 4.499 -0.199 1
1 376 . 17 1 1 A 34 34 PRO C C 32 176.765 176.462 0.303 1
1 377 . 17 1 1 A 34 34 PRO CA C 32 65.164 64.227 0.937 1
1 378 . 17 1 1 A 34 34 PRO CB C 32 32.484 31.827 0.657 1
1 381 . 17 1 1 A 35 35 ASN H H 33 8.294 8.223 0.071 1
1 382 . 17 1 1 A 35 35 ASN C C 33 174.541 174.210 0.331 1
1 383 . 17 1 1 A 35 35 ASN N N 33 120.212 115.013 5.199 1
1 384 . 17 1 1 A 36 36 CYS H H 34 7.561 7.647 -0.086 1
1 385 . 17 1 1 A 36 36 CYS HA H 34 4.884 5.031 -0.147 1
1 388 . 17 1 1 A 36 36 CYS C C 34 173.838 173.331 0.507 1
1 389 . 17 1 1 A 36 36 CYS CA C 34 55.139 54.678 0.461 1
1 390 . 17 1 1 A 36 36 CYS CB C 34 45.200 47.255 -2.055 1
1 391 . 17 1 1 A 36 36 CYS N N 34 116.986 117.384 -0.398 1
1 392 . 17 1 1 A 37 37 ALA H H 35 8.520 8.783 -0.263 1
1 393 . 17 1 1 A 37 37 ALA HA H 35 4.233 4.329 -0.096 1
1 397 . 17 1 1 A 37 37 ALA C C 35 176.326 177.257 -0.931 1
1 398 . 17 1 1 A 37 37 ALA CA C 35 53.152 54.475 -1.323 1
1 399 . 17 1 1 A 37 37 ALA CB C 35 18.930 18.664 0.266 1
1 400 . 17 1 1 A 37 37 ALA N N 35 125.167 124.250 0.917 1
1 401 . 17 1 1 A 38 38 CYS H H 36 8.343 7.854 0.489 1
1 402 . 17 1 1 A 38 38 CYS HA H 36 4.213 4.700 -0.487 1
1 405 . 17 1 1 A 38 38 CYS C C 36 173.589 172.500 1.089 1
1 406 . 17 1 1 A 38 38 CYS CA C 36 58.487 57.747 0.740 1
1 407 . 17 1 1 A 38 38 CYS CB C 36 45.702 30.437 15.265 1
1 408 . 17 1 1 A 38 38 CYS N N 36 118.786 114.355 4.431 1
1 409 . 17 1 1 A 39 39 GLN H H 37 8.988 9.086 -0.098 1
1 410 . 17 1 1 A 39 39 GLN HA H 37 4.573 5.014 -0.441 1
1 417 . 17 1 1 A 39 39 GLN C C 37 173.545 174.729 -1.184 1
1 418 . 17 1 1 A 39 39 GLN CA C 37 54.491 54.407 0.084 1
1 419 . 17 1 1 A 39 39 GLN CB C 37 31.876 30.978 0.898 1
1 421 . 17 1 1 A 39 39 GLN N N 37 128.825 125.855 2.970 1
1 423 . 17 1 1 A 40 40 ILE H H 38 8.967 9.031 -0.064 1
1 424 . 17 1 1 A 40 40 ILE HA H 38 5.095 5.225 -0.130 1
1 434 . 17 1 1 A 40 40 ILE C C 38 174.336 174.595 -0.259 1
1 435 . 17 1 1 A 40 40 ILE CA C 38 60.620 60.053 0.567 1
1 436 . 17 1 1 A 40 40 ILE CB C 38 40.235 39.361 0.874 1
1 440 . 17 1 1 A 40 40 ILE N N 38 124.006 125.086 -1.080 1
1 441 . 17 1 1 A 41 41 VAL H H 39 9.130 9.485 -0.355 1
1 442 . 17 1 1 A 41 41 VAL HA H 39 4.926 4.768 0.158 1
1 450 . 17 1 1 A 41 41 VAL C C 39 175.492 174.441 1.051 1
1 451 . 17 1 1 A 41 41 VAL CA C 39 59.993 61.264 -1.271 1
1 452 . 17 1 1 A 41 41 VAL CB C 39 35.270 33.756 1.514 1
1 455 . 17 1 1 A 41 41 VAL N N 39 125.973 128.369 -2.396 1
1 456 . 17 1 1 A 42 42 ALA H H 40 9.558 9.268 0.290 1
1 457 . 17 1 1 A 42 42 ALA HA H 40 5.123 5.170 -0.047 1
1 461 . 17 1 1 A 42 42 ALA C C 40 175.931 175.106 0.825 1
1 462 . 17 1 1 A 42 42 ALA CA C 40 50.558 50.072 0.486 1
1 463 . 17 1 1 A 42 42 ALA CB C 40 22.072 21.265 0.807 1
1 464 . 17 1 1 A 42 42 ALA N N 40 128.264 129.417 -1.153 1
1 465 . 17 1 1 A 43 43 ARG H H 41 7.707 8.408 -0.701 1
1 466 . 17 1 1 A 43 43 ARG HA H 41 4.966 4.840 0.126 1
1 473 . 17 1 1 A 43 43 ARG C C 41 175.477 175.165 0.312 1
1 474 . 17 1 1 A 43 43 ARG CA C 41 54.000 54.747 -0.747 1
1 475 . 17 1 1 A 43 43 ARG CB C 41 31.122 32.255 -1.133 1
1 478 . 17 1 1 A 43 43 ARG N N 41 121.647 123.836 -2.189 1
1 479 . 17 1 1 A 44 44 LEU H H 42 9.183 8.747 0.436 1
1 480 . 17 1 1 A 44 44 LEU HA H 42 5.009 4.946 0.063 1
1 490 . 17 1 1 A 44 44 LEU C C 42 177.848 175.993 1.855 1
1 491 . 17 1 1 A 44 44 LEU CA C 42 54.596 53.862 0.734 1
1 492 . 17 1 1 A 44 44 LEU CB C 42 41.806 42.746 -0.940 1
1 496 . 17 1 1 A 44 44 LEU N N 42 128.821 127.971 0.850 1
1 497 . 17 1 1 A 45 45 LYS H H 43 8.449 8.297 0.152 1
1 498 . 17 1 1 A 45 45 LYS N N 43 119.659 121.457 -1.798 1
1 499 . 17 1 1 A 48 48 ASN HA H 46 4.716 5.294 -0.578 1
1 504 . 17 1 1 A 48 48 ASN C C 46 175.155 173.797 1.358 1
1 505 . 17 1 1 A 48 48 ASN CA C 46 54.616 51.800 2.816 1
1 506 . 17 1 1 A 48 48 ASN CB C 46 39.292 43.598 -4.306 1
1 508 . 17 1 1 A 49 49 ARG H H 47 7.926 8.379 -0.453 1
1 509 . 17 1 1 A 49 49 ARG HA H 47 4.274 4.741 -0.467 1
1 516 . 17 1 1 A 49 49 ARG C C 47 175.433 174.656 0.777 1
1 517 . 17 1 1 A 49 49 ARG CA C 47 57.252 54.654 2.598 1
1 518 . 17 1 1 A 49 49 ARG CB C 47 32.128 32.571 -0.443 1
1 521 . 17 1 1 A 49 49 ARG N N 47 120.086 119.954 0.132 1
1 522 . 17 1 1 A 50 50 GLN H H 48 8.542 8.514 0.028 1
1 523 . 17 1 1 A 50 50 GLN HA H 48 5.478 5.001 0.477 1
1 528 . 17 1 1 A 50 50 GLN C C 48 175.697 175.507 0.190 1
1 529 . 17 1 1 A 50 50 GLN CA C 48 55.077 55.032 0.045 1
1 530 . 17 1 1 A 50 50 GLN CB C 48 31.751 30.134 1.617 1
1 532 . 17 1 1 A 50 50 GLN N N 48 120.774 121.612 -0.838 1
1 533 . 17 1 1 A 51 51 VAL H H 49 8.710 9.194 -0.484 1
1 534 . 17 1 1 A 51 51 VAL HA H 49 4.781 4.850 -0.069 1
1 542 . 17 1 1 A 51 51 VAL C C 49 175.185 173.480 1.705 1
1 543 . 17 1 1 A 51 51 VAL CA C 49 59.344 58.967 0.377 1
1 544 . 17 1 1 A 51 51 VAL CB C 49 36.024 35.654 0.370 1
1 547 . 17 1 1 A 51 51 VAL N N 49 117.392 118.624 -1.232 1
1 548 . 17 1 1 A 52 52 CYS H H 50 9.184 8.921 0.263 1
1 549 . 17 1 1 A 52 52 CYS HA H 50 5.313 5.378 -0.065 1
1 552 . 17 1 1 A 52 52 CYS C C 50 174.380 173.539 0.841 1
1 553 . 17 1 1 A 52 52 CYS CA C 50 57.984 54.212 3.772 1
1 554 . 17 1 1 A 52 52 CYS CB C 50 42.661 45.192 -2.531 1
1 555 . 17 1 1 A 52 52 CYS N N 50 124.238 120.805 3.433 1
1 556 . 17 1 1 A 53 53 ILE H H 51 8.434 9.623 -1.189 1
1 557 . 17 1 1 A 53 53 ILE HA H 51 4.928 5.276 -0.348 1
1 567 . 17 1 1 A 53 53 ILE C C 51 172.931 173.359 -0.428 1
1 568 . 17 1 1 A 53 53 ILE CA C 51 58.675 59.078 -0.403 1
1 569 . 17 1 1 A 53 53 ILE CB C 51 42.309 41.269 1.040 1
1 573 . 17 1 1 A 53 53 ILE N N 51 122.034 121.610 0.424 1
1 574 . 17 1 1 A 54 54 ASP H H 52 7.702 8.643 -0.941 1
1 575 . 17 1 1 A 54 54 ASP HA H 52 3.426 4.921 -1.495 1
1 578 . 17 1 1 A 54 54 ASP CA C 52 51.251 50.419 0.832 1
1 579 . 17 1 1 A 54 54 ASP CB C 52 42.515 41.694 0.821 1
1 580 . 17 1 1 A 54 54 ASP N N 52 125.815 122.302 3.513 1
1 581 . 17 1 1 A 55 55 PRO HA H 53 3.986 4.179 -0.193 1
1 588 . 17 1 1 A 55 55 PRO C C 53 176.034 177.627 -1.593 1
1 589 . 17 1 1 A 55 55 PRO CA C 53 63.947 64.205 -0.258 1
1 590 . 17 1 1 A 55 55 PRO CB C 53 33.000 31.850 1.150 1
1 593 . 17 1 1 A 56 56 LYS H H 54 7.889 8.071 -0.182 1
1 594 . 17 1 1 A 56 56 LYS HA H 54 3.993 4.199 -0.206 1
1 603 . 17 1 1 A 56 56 LYS C C 54 177.922 176.568 1.354 1
1 604 . 17 1 1 A 56 56 LYS CA C 54 56.729 56.703 0.026 1
1 605 . 17 1 1 A 56 56 LYS CB C 54 31.751 32.605 -0.854 1
1 609 . 17 1 1 A 56 56 LYS N N 54 112.456 116.253 -3.797 1
1 610 . 17 1 1 A 57 57 LEU H H 55 7.157 7.200 -0.043 1
1 611 . 17 1 1 A 57 57 LEU HA H 55 4.040 4.073 -0.033 1
1 621 . 17 1 1 A 57 57 LEU C C 55 179.268 177.470 1.798 1
1 622 . 17 1 1 A 57 57 LEU CA C 55 55.997 55.332 0.665 1
1 623 . 17 1 1 A 57 57 LEU CB C 55 42.309 41.587 0.722 1
1 627 . 17 1 1 A 57 57 LEU N N 55 120.452 121.760 -1.308 1
1 628 . 17 1 1 A 58 58 LYS H H 56 8.731 8.880 -0.149 1
1 629 . 17 1 1 A 58 58 LYS HA H 56 3.913 3.912 0.001 1
1 638 . 17 1 1 A 58 58 LYS C C 56 178.917 178.257 0.660 1
1 639 . 17 1 1 A 58 58 LYS CA C 56 60.202 59.635 0.567 1
1 640 . 17 1 1 A 58 58 LYS CB C 56 32.253 32.124 0.129 1
1 644 . 17 1 1 A 58 58 LYS N N 56 125.307 125.308 -0.001 1
1 645 . 17 1 1 A 59 59 TRP H H 57 7.884 8.298 -0.414 1
1 646 . 17 1 1 A 59 59 TRP HA H 57 4.637 4.740 -0.103 1
1 654 . 17 1 1 A 59 59 TRP C C 57 178.829 179.466 -0.637 1
1 655 . 17 1 1 A 59 59 TRP CA C 57 58.779 59.899 -1.120 1
1 656 . 17 1 1 A 59 59 TRP CB C 57 27.854 28.251 -0.397 1
1 662 . 17 1 1 A 59 59 TRP N N 57 113.503 119.290 -5.787 1
1 663 . 17 1 1 A 60 60 ILE H H 58 6.449 7.483 -1.034 1
1 664 . 17 1 1 A 60 60 ILE HA H 58 3.284 3.059 0.225 1
1 674 . 17 1 1 A 60 60 ILE C C 58 177.687 177.649 0.038 1
1 675 . 17 1 1 A 60 60 ILE CA C 58 64.177 65.068 -0.891 1
1 676 . 17 1 1 A 60 60 ILE CB C 58 35.710 37.234 -1.524 1
1 680 . 17 1 1 A 60 60 ILE N N 58 124.379 122.316 2.063 1
1 681 . 17 1 1 A 61 61 GLN H H 59 7.646 7.743 -0.097 1
1 682 . 17 1 1 A 61 61 GLN HA H 59 3.738 3.993 -0.255 1
1 689 . 17 1 1 A 61 61 GLN C C 59 178.361 179.009 -0.648 1
1 690 . 17 1 1 A 61 61 GLN CA C 59 59.302 59.031 0.271 1
1 691 . 17 1 1 A 61 61 GLN CB C 59 28.357 27.956 0.401 1
1 693 . 17 1 1 A 61 61 GLN N N 59 118.966 118.151 0.815 1
1 695 . 17 1 1 A 62 62 GLU H H 60 8.075 7.610 0.465 1
1 696 . 17 1 1 A 62 62 GLU HA H 60 4.076 4.120 -0.044 1
1 701 . 17 1 1 A 62 62 GLU C C 60 179.019 178.493 0.526 1
1 702 . 17 1 1 A 62 62 GLU CA C 60 59.637 58.767 0.870 1
1 703 . 17 1 1 A 62 62 GLU CB C 60 30.368 29.604 0.764 1
1 705 . 17 1 1 A 62 62 GLU N N 60 117.105 120.907 -3.802 1
1 706 . 17 1 1 A 63 63 TYR H H 61 7.922 8.103 -0.181 1
1 707 . 17 1 1 A 63 63 TYR HA H 61 4.237 4.308 -0.071 1
1 714 . 17 1 1 A 63 63 TYR C C 61 178.551 177.929 0.622 1
1 715 . 17 1 1 A 63 63 TYR CA C 61 61.206 61.493 -0.287 1
1 716 . 17 1 1 A 63 63 TYR CB C 61 39.669 39.052 0.617 1
1 719 . 17 1 1 A 63 63 TYR N N 61 121.402 122.929 -1.527 1
1 720 . 17 1 1 A 64 64 LEU H H 62 8.227 7.888 0.339 1
1 721 . 17 1 1 A 64 64 LEU HA H 62 3.957 4.293 -0.336 1
1 731 . 17 1 1 A 64 64 LEU C C 62 179.458 178.989 0.469 1
1 732 . 17 1 1 A 64 64 LEU CA C 62 57.880 58.052 -0.172 1
1 733 . 17 1 1 A 64 64 LEU CB C 62 42.434 41.191 1.243 1
1 737 . 17 1 1 A 64 64 LEU N N 62 116.209 119.411 -3.202 1
1 738 . 17 1 1 A 65 65 GLU H H 63 8.472 8.533 -0.061 1
1 739 . 17 1 1 A 65 65 GLU HA H 63 3.827 4.073 -0.246 1
1 744 . 17 1 1 A 65 65 GLU C C 63 179.166 178.838 0.328 1
1 745 . 17 1 1 A 65 65 GLU CA C 63 60.265 59.570 0.695 1
1 746 . 17 1 1 A 65 65 GLU CB C 63 29.739 29.180 0.559 1
1 748 . 17 1 1 A 65 65 GLU N N 63 118.559 119.314 -0.755 1
1 749 . 17 1 1 A 66 66 LYS H H 64 7.554 7.752 -0.198 1
1 750 . 17 1 1 A 66 66 LYS HA H 64 4.215 4.262 -0.047 1
1 759 . 17 1 1 A 66 66 LYS C C 64 178.302 177.416 0.886 1
1 760 . 17 1 1 A 66 66 LYS CA C 64 58.481 57.769 0.712 1
1 761 . 17 1 1 A 66 66 LYS CB C 64 32.505 32.157 0.348 1
1 765 . 17 1 1 A 66 66 LYS N N 64 117.056 117.507 -0.451 1
1 766 . 17 1 1 A 67 67 CYS H H 65 7.918 7.867 0.051 1
1 767 . 17 1 1 A 67 67 CYS HA H 65 4.532 4.550 -0.018 1
1 770 . 17 1 1 A 67 67 CYS C C 65 174.775 174.805 -0.030 1
1 771 . 17 1 1 A 67 67 CYS CA C 65 56.102 59.860 -3.758 1
1 772 . 17 1 1 A 67 67 CYS CB C 65 45.325 28.975 16.350 1
1 773 . 17 1 1 A 67 67 CYS N N 65 115.236 116.722 -1.486 1
1 774 . 17 1 1 A 68 68 LEU H H 66 7.558 7.378 0.180 1
1 775 . 17 1 1 A 68 68 LEU HA H 66 4.520 4.309 0.211 1
1 785 . 17 1 1 A 68 68 LEU C C 66 176.765 177.064 -0.299 1
1 786 . 17 1 1 A 68 68 LEU CA C 66 55.202 55.111 0.091 1
1 787 . 17 1 1 A 68 68 LEU CB C 66 43.314 41.442 1.872 1
1 791 . 17 1 1 A 68 68 LEU N N 66 121.130 121.516 -0.386 1
1 792 . 17 1 1 A 69 69 ASN H H 67 8.306 9.018 -0.712 1
1 793 . 17 1 1 A 69 69 ASN HA H 67 4.639 4.422 0.217 1
1 798 . 17 1 1 A 69 69 ASN C C 67 174.189 173.939 0.250 1
1 799 . 17 1 1 A 69 69 ASN CA C 67 53.654 54.601 -0.947 1
1 800 . 17 1 1 A 69 69 ASN CB C 67 38.978 36.924 2.054 1
1 801 . 17 1 1 A 69 69 ASN N N 67 120.313 121.673 -1.360 1
1 3 . 18 1 1 A 4 4 PRO HA H 2 4.490 4.688 -0.198 1
1 10 . 18 1 1 A 4 4 PRO C C 2 177.102 176.536 0.566 1
1 11 . 18 1 1 A 4 4 PRO CA C 2 63.319 62.214 1.105 1
1 12 . 18 1 1 A 4 4 PRO CB C 2 32.575 33.107 -0.532 1
1 15 . 18 1 1 A 5 5 VAL H H 3 8.259 8.304 -0.045 1
1 16 . 18 1 1 A 5 5 VAL HA H 3 4.117 4.457 -0.340 1
1 24 . 18 1 1 A 5 5 VAL C C 3 176.385 174.945 1.440 1
1 25 . 18 1 1 A 5 5 VAL CA C 3 62.629 60.211 2.418 1
1 26 . 18 1 1 A 5 5 VAL CB C 3 33.146 33.056 0.090 1
1 29 . 18 1 1 A 5 5 VAL N N 3 120.806 117.390 3.416 1
1 30 . 18 1 1 A 6 6 SER H H 4 8.345 8.689 -0.344 1
1 31 . 18 1 1 A 6 6 SER HA H 4 4.479 4.966 -0.487 1
1 34 . 18 1 1 A 6 6 SER C C 4 174.687 173.504 1.183 1
1 35 . 18 1 1 A 6 6 SER CA C 4 58.340 57.028 1.312 1
1 36 . 18 1 1 A 6 6 SER CB C 4 64.208 64.045 0.163 1
1 37 . 18 1 1 A 6 6 SER N N 4 119.332 117.811 1.521 1
1 38 . 18 1 1 A 7 7 LEU H H 5 8.334 8.687 -0.353 1
1 39 . 18 1 1 A 7 7 LEU HA H 5 4.384 4.425 -0.041 1
1 45 . 18 1 1 A 7 7 LEU C C 5 177.424 176.191 1.233 1
1 46 . 18 1 1 A 7 7 LEU CA C 5 55.495 54.458 1.037 1
1 47 . 18 1 1 A 7 7 LEU CB C 5 42.786 40.240 2.546 1
1 49 . 18 1 1 A 7 7 LEU N N 5 124.942 127.196 -2.254 1
1 50 . 18 1 1 A 8 8 SER H H 6 8.198 8.526 -0.328 1
1 51 . 18 1 1 A 8 8 SER HA H 6 4.407 4.559 -0.152 1
1 54 . 18 1 1 A 8 8 SER C C 6 174.306 174.467 -0.161 1
1 55 . 18 1 1 A 8 8 SER CA C 6 58.696 58.947 -0.251 1
1 56 . 18 1 1 A 8 8 SER CB C 6 64.136 65.363 -1.227 1
1 57 . 18 1 1 A 8 8 SER N N 6 116.070 118.552 -2.482 1
1 58 . 18 1 1 A 9 9 TYR H H 7 8.005 8.072 -0.067 1
1 59 . 18 1 1 A 9 9 TYR HA H 7 4.547 4.790 -0.243 1
1 66 . 18 1 1 A 9 9 TYR C C 7 175.507 175.256 0.251 1
1 67 . 18 1 1 A 9 9 TYR CA C 7 58.236 57.622 0.614 1
1 68 . 18 1 1 A 9 9 TYR CB C 7 39.144 39.468 -0.324 1
1 71 . 18 1 1 A 9 9 TYR N N 7 122.102 114.786 7.316 1
1 72 . 18 1 1 A 10 10 ARG H H 8 8.142 7.034 1.108 1
1 73 . 18 1 1 A 10 10 ARG HA H 8 4.302 4.484 -0.182 1
1 80 . 18 1 1 A 10 10 ARG C C 8 175.946 175.244 0.702 1
1 81 . 18 1 1 A 10 10 ARG CA C 8 56.102 56.278 -0.176 1
1 82 . 18 1 1 A 10 10 ARG CB C 8 31.004 30.524 0.480 1
1 85 . 18 1 1 A 10 10 ARG N N 8 122.105 121.784 0.321 1
1 86 . 18 1 1 A 11 11 CYS H H 9 8.185 8.441 -0.256 1
1 87 . 18 1 1 A 11 11 CYS HA H 9 4.952 5.090 -0.138 1
1 90 . 18 1 1 A 11 11 CYS CA C 9 53.192 53.893 -0.701 1
1 91 . 18 1 1 A 11 11 CYS CB C 9 40.250 45.690 -5.440 1
1 92 . 18 1 1 A 11 11 CYS N N 9 121.511 123.464 -1.953 1
1 93 . 18 1 1 A 12 12 PRO HA H 10 4.315 4.350 -0.035 1
1 100 . 18 1 1 A 12 12 PRO C C 10 177.980 176.450 1.530 1
1 101 . 18 1 1 A 12 12 PRO CA C 10 65.345 65.521 -0.176 1
1 102 . 18 1 1 A 12 12 PRO CB C 10 32.575 31.302 1.273 1
1 105 . 18 1 1 A 13 13 CYS H H 11 8.719 7.424 1.295 1
1 106 . 18 1 1 A 13 13 CYS N N 11 115.047 112.379 2.668 1
1 107 . 18 1 1 A 14 14 ARG HA H 12 4.028 4.332 -0.304 1
1 114 . 18 1 1 A 14 14 ARG C C 12 175.097 175.951 -0.854 1
1 115 . 18 1 1 A 14 14 ARG CA C 12 57.503 56.833 0.670 1
1 116 . 18 1 1 A 14 14 ARG CB C 12 31.289 31.102 0.187 1
1 119 . 18 1 1 A 15 15 PHE H H 13 7.607 7.753 -0.146 1
1 120 . 18 1 1 A 15 15 PHE HA H 13 4.497 5.337 -0.840 1
1 127 . 18 1 1 A 15 15 PHE C C 13 174.292 175.274 -0.982 1
1 128 . 18 1 1 A 15 15 PHE CA C 13 56.060 56.481 -0.421 1
1 129 . 18 1 1 A 15 15 PHE CB C 13 41.122 43.191 -2.069 1
1 132 . 18 1 1 A 15 15 PHE N N 13 116.487 116.044 0.443 1
1 133 . 18 1 1 A 16 16 PHE H H 14 8.202 9.023 -0.821 1
1 134 . 18 1 1 A 16 16 PHE HA H 14 4.793 5.447 -0.654 1
1 141 . 18 1 1 A 16 16 PHE C C 14 175.433 174.364 1.069 1
1 142 . 18 1 1 A 16 16 PHE CA C 14 55.516 55.399 0.117 1
1 143 . 18 1 1 A 16 16 PHE CB C 14 41.096 41.480 -0.384 1
1 146 . 18 1 1 A 16 16 PHE N N 14 119.591 119.342 0.249 1
1 147 . 18 1 1 A 17 17 GLU H H 15 8.749 9.275 -0.526 1
1 148 . 18 1 1 A 17 17 GLU HA H 15 4.579 4.272 0.307 1
1 153 . 18 1 1 A 17 17 GLU C C 15 176.809 176.432 0.377 1
1 154 . 18 1 1 A 17 17 GLU CA C 15 56.395 56.513 -0.118 1
1 155 . 18 1 1 A 17 17 GLU CB C 15 30.932 31.248 -0.316 1
1 157 . 18 1 1 A 17 17 GLU N N 15 122.719 122.584 0.135 1
1 158 . 18 1 1 A 18 18 SER H H 16 8.764 8.717 0.047 1
1 159 . 18 1 1 A 18 18 SER HA H 16 4.697 4.707 -0.010 1
1 162 . 18 1 1 A 18 18 SER CA C 16 59.637 59.795 -0.158 1
1 163 . 18 1 1 A 18 18 SER CB C 16 64.708 63.876 0.832 1
1 164 . 18 1 1 A 18 18 SER N N 16 118.765 119.950 -1.185 1
1 165 . 18 1 1 A 19 19 HIS H H 17 8.617 7.503 1.114 1
1 166 . 18 1 1 A 19 19 HIS HA H 17 4.770 4.879 -0.109 1
1 171 . 18 1 1 A 19 19 HIS C C 17 174.658 174.377 0.281 1
1 172 . 18 1 1 A 19 19 HIS CA C 17 56.750 54.275 2.475 1
1 173 . 18 1 1 A 19 19 HIS CB C 17 29.718 29.809 -0.091 1
1 176 . 18 1 1 A 19 19 HIS N N 17 119.651 122.011 -2.360 1
1 177 . 18 1 1 A 20 20 VAL H H 18 7.360 8.100 -0.740 1
1 178 . 18 1 1 A 20 20 VAL HA H 18 4.100 4.485 -0.385 1
1 186 . 18 1 1 A 20 20 VAL C C 18 174.424 173.703 0.721 1
1 187 . 18 1 1 A 20 20 VAL CA C 18 62.252 60.555 1.697 1
1 188 . 18 1 1 A 20 20 VAL CB C 18 34.146 35.263 -1.117 1
1 191 . 18 1 1 A 20 20 VAL N N 18 121.352 125.479 -4.127 1
1 192 . 18 1 1 A 21 21 ALA H H 19 8.570 8.469 0.101 1
1 193 . 18 1 1 A 21 21 ALA HA H 19 4.345 4.696 -0.351 1
1 197 . 18 1 1 A 21 21 ALA C C 19 177.570 178.054 -0.484 1
1 198 . 18 1 1 A 21 21 ALA CA C 19 50.997 50.425 0.572 1
1 199 . 18 1 1 A 21 21 ALA CB C 19 19.579 22.064 -2.485 1
1 200 . 18 1 1 A 21 21 ALA N N 19 131.401 130.065 1.336 1
1 201 . 18 1 1 A 22 22 ARG H H 20 7.838 8.181 -0.343 1
1 202 . 18 1 1 A 22 22 ARG HA H 20 2.545 3.039 -0.494 1
1 209 . 18 1 1 A 22 22 ARG C C 20 178.258 177.044 1.214 1
1 210 . 18 1 1 A 22 22 ARG CA C 20 59.407 57.715 1.692 1
1 211 . 18 1 1 A 22 22 ARG CB C 20 29.433 29.259 0.174 1
1 214 . 18 1 1 A 22 22 ARG N N 20 124.465 121.077 3.388 1
1 215 . 18 1 1 A 23 23 ALA H H 21 8.203 7.396 0.807 1
1 216 . 18 1 1 A 23 23 ALA HA H 21 4.069 4.149 -0.080 1
1 220 . 18 1 1 A 23 23 ALA C C 21 177.995 178.318 -0.323 1
1 221 . 18 1 1 A 23 23 ALA CA C 21 54.000 53.244 0.756 1
1 222 . 18 1 1 A 23 23 ALA CB C 21 18.722 18.536 0.186 1
1 223 . 18 1 1 A 23 23 ALA N N 21 117.242 121.442 -4.200 1
1 224 . 18 1 1 A 24 24 ASN H H 22 7.739 7.923 -0.184 1
1 225 . 18 1 1 A 24 24 ASN HA H 22 4.988 4.887 0.101 1
1 230 . 18 1 1 A 24 24 ASN C C 22 174.848 175.032 -0.184 1
1 231 . 18 1 1 A 24 24 ASN CA C 22 52.509 53.717 -1.208 1
1 232 . 18 1 1 A 24 24 ASN CB C 22 40.358 39.890 0.468 1
1 233 . 18 1 1 A 24 24 ASN N N 22 112.861 115.303 -2.442 1
1 235 . 18 1 1 A 25 25 VAL H H 23 7.524 7.320 0.204 1
1 236 . 18 1 1 A 25 25 VAL HA H 23 4.272 4.023 0.249 1
1 244 . 18 1 1 A 25 25 VAL C C 23 175.755 175.478 0.277 1
1 245 . 18 1 1 A 25 25 VAL CA C 23 62.859 61.993 0.866 1
1 246 . 18 1 1 A 25 25 VAL CB C 23 33.432 32.474 0.958 1
1 249 . 18 1 1 A 25 25 VAL N N 23 119.883 116.687 3.196 1
1 250 . 18 1 1 A 26 26 LYS H H 24 9.527 9.309 0.218 1
1 251 . 18 1 1 A 26 26 LYS HA H 24 4.298 4.418 -0.120 1
1 260 . 18 1 1 A 26 26 LYS C C 24 176.634 176.535 0.099 1
1 261 . 18 1 1 A 26 26 LYS CA C 24 58.989 57.391 1.598 1
1 262 . 18 1 1 A 26 26 LYS CB C 24 34.390 32.929 1.461 1
1 266 . 18 1 1 A 26 26 LYS N N 24 128.312 124.795 3.517 1
1 267 . 18 1 1 A 27 27 HIS H H 25 7.214 7.549 -0.335 1
1 268 . 18 1 1 A 27 27 HIS HA H 25 4.965 5.022 -0.057 1
1 273 . 18 1 1 A 27 27 HIS C C 25 172.740 172.638 0.102 1
1 274 . 18 1 1 A 27 27 HIS CA C 25 55.328 54.809 0.519 1
1 275 . 18 1 1 A 27 27 HIS CB C 25 32.882 31.177 1.705 1
1 278 . 18 1 1 A 27 27 HIS N N 25 109.505 114.162 -4.657 1
1 279 . 18 1 1 A 28 28 LEU H H 26 8.066 8.896 -0.830 1
1 280 . 18 1 1 A 28 28 LEU HA H 26 5.156 5.436 -0.280 1
1 290 . 18 1 1 A 28 28 LEU C C 26 175.346 175.445 -0.099 1
1 291 . 18 1 1 A 28 28 LEU CA C 26 53.466 53.371 0.095 1
1 292 . 18 1 1 A 28 28 LEU CB C 26 45.200 45.489 -0.289 1
1 296 . 18 1 1 A 28 28 LEU N N 26 116.963 120.145 -3.182 1
1 297 . 18 1 1 A 29 29 LYS H H 27 9.549 9.104 0.445 1
1 298 . 18 1 1 A 29 29 LYS HA H 27 5.353 5.243 0.110 1
1 307 . 18 1 1 A 29 29 LYS C C 27 174.716 174.559 0.157 1
1 308 . 18 1 1 A 29 29 LYS CA C 27 55.118 54.816 0.302 1
1 309 . 18 1 1 A 29 29 LYS CB C 27 35.144 35.854 -0.710 1
1 313 . 18 1 1 A 29 29 LYS N N 27 123.299 122.796 0.503 1
1 314 . 18 1 1 A 30 30 ILE H H 28 9.140 8.966 0.174 1
1 315 . 18 1 1 A 30 30 ILE HA H 28 4.910 5.156 -0.246 1
1 325 . 18 1 1 A 30 30 ILE C C 28 176.970 175.082 1.888 1
1 326 . 18 1 1 A 30 30 ILE CA C 28 60.390 59.354 1.036 1
1 327 . 18 1 1 A 30 30 ILE CB C 28 39.603 38.411 1.192 1
1 331 . 18 1 1 A 30 30 ILE N N 28 123.823 127.703 -3.880 1
1 332 . 18 1 1 A 31 31 LEU H H 29 8.866 9.300 -0.434 1
1 333 . 18 1 1 A 31 31 LEU HA H 29 4.580 4.634 -0.054 1
1 342 . 18 1 1 A 31 31 LEU C C 29 175.975 176.089 -0.114 1
1 343 . 18 1 1 A 31 31 LEU CA C 29 55.474 54.058 1.416 1
1 344 . 18 1 1 A 31 31 LEU CB C 29 42.749 42.632 0.117 1
1 347 . 18 1 1 A 31 31 LEU N N 29 128.835 129.181 -0.346 1
1 348 . 18 1 1 A 32 32 ASN H H 30 8.211 8.753 -0.542 1
1 349 . 18 1 1 A 32 32 ASN HA H 30 4.998 4.994 0.004 1
1 354 . 18 1 1 A 32 32 ASN C C 30 174.658 175.171 -0.513 1
1 355 . 18 1 1 A 32 32 ASN CA C 30 52.524 52.614 -0.090 1
1 356 . 18 1 1 A 32 32 ASN CB C 30 38.978 39.198 -0.220 1
1 357 . 18 1 1 A 32 32 ASN N N 30 120.696 123.098 -2.402 1
1 359 . 18 1 1 A 33 33 THR H H 31 7.925 8.204 -0.279 1
1 360 . 18 1 1 A 33 33 THR HA H 31 4.784 4.996 -0.212 1
1 365 . 18 1 1 A 33 33 THR CA C 31 58.046 58.302 -0.256 1
1 366 . 18 1 1 A 33 33 THR CB C 31 70.341 70.250 0.091 1
1 368 . 18 1 1 A 33 33 THR N N 31 116.303 117.210 -0.907 1
1 369 . 18 1 1 A 34 34 PRO HA H 32 4.300 4.357 -0.057 1
1 376 . 18 1 1 A 34 34 PRO C C 32 176.765 176.767 -0.002 1
1 377 . 18 1 1 A 34 34 PRO CA C 32 65.164 65.418 -0.254 1
1 378 . 18 1 1 A 34 34 PRO CB C 32 32.484 31.700 0.784 1
1 381 . 18 1 1 A 35 35 ASN H H 33 8.294 8.051 0.243 1
1 382 . 18 1 1 A 35 35 ASN C C 33 174.541 173.194 1.347 1
1 383 . 18 1 1 A 35 35 ASN N N 33 120.212 113.955 6.257 1
1 384 . 18 1 1 A 36 36 CYS H H 34 7.561 8.220 -0.659 1
1 385 . 18 1 1 A 36 36 CYS HA H 34 4.884 5.057 -0.173 1
1 388 . 18 1 1 A 36 36 CYS C C 34 173.838 172.587 1.251 1
1 389 . 18 1 1 A 36 36 CYS CA C 34 55.139 55.145 -0.006 1
1 390 . 18 1 1 A 36 36 CYS CB C 34 45.200 47.232 -2.032 1
1 391 . 18 1 1 A 36 36 CYS N N 34 116.986 122.965 -5.979 1
1 392 . 18 1 1 A 37 37 ALA H H 35 8.520 8.538 -0.018 1
1 393 . 18 1 1 A 37 37 ALA HA H 35 4.233 4.409 -0.176 1
1 397 . 18 1 1 A 37 37 ALA C C 35 176.326 177.209 -0.883 1
1 398 . 18 1 1 A 37 37 ALA CA C 35 53.152 51.831 1.321 1
1 399 . 18 1 1 A 37 37 ALA CB C 35 18.930 20.317 -1.387 1
1 400 . 18 1 1 A 37 37 ALA N N 35 125.167 124.591 0.576 1
1 401 . 18 1 1 A 38 38 CYS H H 36 8.343 8.364 -0.021 1
1 402 . 18 1 1 A 38 38 CYS HA H 36 4.213 4.271 -0.058 1
1 405 . 18 1 1 A 38 38 CYS C C 36 173.589 174.198 -0.609 1
1 406 . 18 1 1 A 38 38 CYS CA C 36 58.487 59.765 -1.278 1
1 407 . 18 1 1 A 38 38 CYS CB C 36 45.702 28.199 17.503 1
1 408 . 18 1 1 A 38 38 CYS N N 36 118.786 118.744 0.042 1
1 409 . 18 1 1 A 39 39 GLN H H 37 8.988 8.665 0.323 1
1 410 . 18 1 1 A 39 39 GLN HA H 37 4.573 4.729 -0.156 1
1 417 . 18 1 1 A 39 39 GLN C C 37 173.545 174.876 -1.331 1
1 418 . 18 1 1 A 39 39 GLN CA C 37 54.491 55.502 -1.011 1
1 419 . 18 1 1 A 39 39 GLN CB C 37 31.876 29.813 2.063 1
1 421 . 18 1 1 A 39 39 GLN N N 37 128.825 126.649 2.176 1
1 423 . 18 1 1 A 40 40 ILE H H 38 8.967 9.025 -0.058 1
1 424 . 18 1 1 A 40 40 ILE HA H 38 5.095 5.096 -0.001 1
1 434 . 18 1 1 A 40 40 ILE C C 38 174.336 174.521 -0.185 1
1 435 . 18 1 1 A 40 40 ILE CA C 38 60.620 59.967 0.653 1
1 436 . 18 1 1 A 40 40 ILE CB C 38 40.235 40.902 -0.667 1
1 440 . 18 1 1 A 40 40 ILE N N 38 124.006 124.916 -0.910 1
1 441 . 18 1 1 A 41 41 VAL H H 39 9.130 9.458 -0.328 1
1 442 . 18 1 1 A 41 41 VAL HA H 39 4.926 4.741 0.185 1
1 450 . 18 1 1 A 41 41 VAL C C 39 175.492 174.562 0.930 1
1 451 . 18 1 1 A 41 41 VAL CA C 39 59.993 61.150 -1.157 1
1 452 . 18 1 1 A 41 41 VAL CB C 39 35.270 34.191 1.079 1
1 455 . 18 1 1 A 41 41 VAL N N 39 125.973 128.486 -2.513 1
1 456 . 18 1 1 A 42 42 ALA H H 40 9.558 9.305 0.253 1
1 457 . 18 1 1 A 42 42 ALA HA H 40 5.123 5.245 -0.122 1
1 461 . 18 1 1 A 42 42 ALA C C 40 175.931 175.181 0.750 1
1 462 . 18 1 1 A 42 42 ALA CA C 40 50.558 50.095 0.463 1
1 463 . 18 1 1 A 42 42 ALA CB C 40 22.072 21.156 0.916 1
1 464 . 18 1 1 A 42 42 ALA N N 40 128.264 129.181 -0.917 1
1 465 . 18 1 1 A 43 43 ARG H H 41 7.707 8.537 -0.830 1
1 466 . 18 1 1 A 43 43 ARG HA H 41 4.966 4.728 0.238 1
1 473 . 18 1 1 A 43 43 ARG C C 41 175.477 174.692 0.785 1
1 474 . 18 1 1 A 43 43 ARG CA C 41 54.000 54.709 -0.709 1
1 475 . 18 1 1 A 43 43 ARG CB C 41 31.122 32.008 -0.886 1
1 478 . 18 1 1 A 43 43 ARG N N 41 121.647 123.872 -2.225 1
1 479 . 18 1 1 A 44 44 LEU H H 42 9.183 8.536 0.647 1
1 480 . 18 1 1 A 44 44 LEU HA H 42 5.009 4.806 0.203 1
1 490 . 18 1 1 A 44 44 LEU C C 42 177.848 177.293 0.555 1
1 491 . 18 1 1 A 44 44 LEU CA C 42 54.596 53.753 0.843 1
1 492 . 18 1 1 A 44 44 LEU CB C 42 41.806 43.195 -1.389 1
1 496 . 18 1 1 A 44 44 LEU N N 42 128.821 127.605 1.216 1
1 497 . 18 1 1 A 45 45 LYS H H 43 8.449 9.593 -1.144 1
1 498 . 18 1 1 A 45 45 LYS N N 43 119.659 123.971 -4.312 1
1 499 . 18 1 1 A 48 48 ASN HA H 46 4.716 4.970 -0.254 1
1 504 . 18 1 1 A 48 48 ASN C C 46 175.155 175.515 -0.360 1
1 505 . 18 1 1 A 48 48 ASN CA C 46 54.616 52.282 2.334 1
1 506 . 18 1 1 A 48 48 ASN CB C 46 39.292 39.923 -0.631 1
1 508 . 18 1 1 A 49 49 ARG H H 47 7.926 8.054 -0.128 1
1 509 . 18 1 1 A 49 49 ARG HA H 47 4.274 4.176 0.098 1
1 516 . 18 1 1 A 49 49 ARG C C 47 175.433 175.079 0.354 1
1 517 . 18 1 1 A 49 49 ARG CA C 47 57.252 58.358 -1.106 1
1 518 . 18 1 1 A 49 49 ARG CB C 47 32.128 29.090 3.038 1
1 521 . 18 1 1 A 49 49 ARG N N 47 120.086 117.700 2.386 1
1 522 . 18 1 1 A 50 50 GLN H H 48 8.542 8.562 -0.020 1
1 523 . 18 1 1 A 50 50 GLN HA H 48 5.478 5.021 0.457 1
1 528 . 18 1 1 A 50 50 GLN C C 48 175.697 175.546 0.151 1
1 529 . 18 1 1 A 50 50 GLN CA C 48 55.077 54.998 0.079 1
1 530 . 18 1 1 A 50 50 GLN CB C 48 31.751 30.066 1.685 1
1 532 . 18 1 1 A 50 50 GLN N N 48 120.774 121.722 -0.948 1
1 533 . 18 1 1 A 51 51 VAL H H 49 8.710 9.155 -0.445 1
1 534 . 18 1 1 A 51 51 VAL HA H 49 4.781 4.834 -0.053 1
1 542 . 18 1 1 A 51 51 VAL C C 49 175.185 173.588 1.597 1
1 543 . 18 1 1 A 51 51 VAL CA C 49 59.344 59.017 0.327 1
1 544 . 18 1 1 A 51 51 VAL CB C 49 36.024 35.370 0.654 1
1 547 . 18 1 1 A 51 51 VAL N N 49 117.392 118.961 -1.569 1
1 548 . 18 1 1 A 52 52 CYS H H 50 9.184 8.989 0.195 1
1 549 . 18 1 1 A 52 52 CYS HA H 50 5.313 5.376 -0.063 1
1 552 . 18 1 1 A 52 52 CYS C C 50 174.380 173.445 0.935 1
1 553 . 18 1 1 A 52 52 CYS CA C 50 57.984 54.206 3.778 1
1 554 . 18 1 1 A 52 52 CYS CB C 50 42.661 45.397 -2.736 1
1 555 . 18 1 1 A 52 52 CYS N N 50 124.238 120.999 3.239 1
1 556 . 18 1 1 A 53 53 ILE H H 51 8.434 9.414 -0.980 1
1 557 . 18 1 1 A 53 53 ILE HA H 51 4.928 5.267 -0.339 1
1 567 . 18 1 1 A 53 53 ILE C C 51 172.931 173.380 -0.449 1
1 568 . 18 1 1 A 53 53 ILE CA C 51 58.675 59.072 -0.397 1
1 569 . 18 1 1 A 53 53 ILE CB C 51 42.309 41.633 0.676 1
1 573 . 18 1 1 A 53 53 ILE N N 51 122.034 121.561 0.473 1
1 574 . 18 1 1 A 54 54 ASP H H 52 7.702 8.740 -1.038 1
1 575 . 18 1 1 A 54 54 ASP HA H 52 3.426 4.992 -1.566 1
1 578 . 18 1 1 A 54 54 ASP CA C 52 51.251 50.447 0.804 1
1 579 . 18 1 1 A 54 54 ASP CB C 52 42.515 42.214 0.301 1
1 580 . 18 1 1 A 54 54 ASP N N 52 125.815 122.618 3.197 1
1 581 . 18 1 1 A 55 55 PRO HA H 53 3.986 4.160 -0.174 1
1 588 . 18 1 1 A 55 55 PRO C C 53 176.034 177.798 -1.764 1
1 589 . 18 1 1 A 55 55 PRO CA C 53 63.947 64.389 -0.442 1
1 590 . 18 1 1 A 55 55 PRO CB C 53 33.000 31.862 1.138 1
1 593 . 18 1 1 A 56 56 LYS H H 54 7.889 8.440 -0.551 1
1 594 . 18 1 1 A 56 56 LYS HA H 54 3.993 4.176 -0.183 1
1 603 . 18 1 1 A 56 56 LYS C C 54 177.922 176.618 1.304 1
1 604 . 18 1 1 A 56 56 LYS CA C 54 56.729 57.029 -0.300 1
1 605 . 18 1 1 A 56 56 LYS CB C 54 31.751 32.525 -0.774 1
1 609 . 18 1 1 A 56 56 LYS N N 54 112.456 116.276 -3.820 1
1 610 . 18 1 1 A 57 57 LEU H H 55 7.157 7.010 0.147 1
1 611 . 18 1 1 A 57 57 LEU HA H 55 4.040 4.074 -0.034 1
1 621 . 18 1 1 A 57 57 LEU C C 55 179.268 177.441 1.827 1
1 622 . 18 1 1 A 57 57 LEU CA C 55 55.997 55.490 0.507 1
1 623 . 18 1 1 A 57 57 LEU CB C 55 42.309 41.696 0.613 1
1 627 . 18 1 1 A 57 57 LEU N N 55 120.452 121.855 -1.403 1
1 628 . 18 1 1 A 58 58 LYS H H 56 8.731 8.831 -0.100 1
1 629 . 18 1 1 A 58 58 LYS HA H 56 3.913 3.853 0.060 1
1 638 . 18 1 1 A 58 58 LYS C C 56 178.917 178.369 0.548 1
1 639 . 18 1 1 A 58 58 LYS CA C 56 60.202 59.478 0.724 1
1 640 . 18 1 1 A 58 58 LYS CB C 56 32.253 32.161 0.092 1
1 644 . 18 1 1 A 58 58 LYS N N 56 125.307 125.861 -0.554 1
1 645 . 18 1 1 A 59 59 TRP H H 57 7.884 8.168 -0.284 1
1 646 . 18 1 1 A 59 59 TRP HA H 57 4.637 4.659 -0.022 1
1 654 . 18 1 1 A 59 59 TRP C C 57 178.829 179.528 -0.699 1
1 655 . 18 1 1 A 59 59 TRP CA C 57 58.779 59.880 -1.101 1
1 656 . 18 1 1 A 59 59 TRP CB C 57 27.854 28.427 -0.573 1
1 662 . 18 1 1 A 59 59 TRP N N 57 113.503 119.404 -5.901 1
1 663 . 18 1 1 A 60 60 ILE H H 58 6.449 7.523 -1.074 1
1 664 . 18 1 1 A 60 60 ILE HA H 58 3.284 3.006 0.278 1
1 674 . 18 1 1 A 60 60 ILE C C 58 177.687 177.678 0.009 1
1 675 . 18 1 1 A 60 60 ILE CA C 58 64.177 64.901 -0.724 1
1 676 . 18 1 1 A 60 60 ILE CB C 58 35.710 37.266 -1.556 1
1 680 . 18 1 1 A 60 60 ILE N N 58 124.379 122.350 2.029 1
1 681 . 18 1 1 A 61 61 GLN H H 59 7.646 7.825 -0.179 1
1 682 . 18 1 1 A 61 61 GLN HA H 59 3.738 3.965 -0.227 1
1 689 . 18 1 1 A 61 61 GLN C C 59 178.361 178.970 -0.609 1
1 690 . 18 1 1 A 61 61 GLN CA C 59 59.302 58.990 0.312 1
1 691 . 18 1 1 A 61 61 GLN CB C 59 28.357 28.023 0.334 1
1 693 . 18 1 1 A 61 61 GLN N N 59 118.966 118.274 0.692 1
1 695 . 18 1 1 A 62 62 GLU H H 60 8.075 7.865 0.210 1
1 696 . 18 1 1 A 62 62 GLU HA H 60 4.076 4.101 -0.025 1
1 701 . 18 1 1 A 62 62 GLU C C 60 179.019 178.477 0.542 1
1 702 . 18 1 1 A 62 62 GLU CA C 60 59.637 58.948 0.689 1
1 703 . 18 1 1 A 62 62 GLU CB C 60 30.368 29.758 0.610 1
1 705 . 18 1 1 A 62 62 GLU N N 60 117.105 121.167 -4.062 1
1 706 . 18 1 1 A 63 63 TYR H H 61 7.922 8.055 -0.133 1
1 707 . 18 1 1 A 63 63 TYR HA H 61 4.237 4.346 -0.109 1
1 714 . 18 1 1 A 63 63 TYR C C 61 178.551 177.889 0.662 1
1 715 . 18 1 1 A 63 63 TYR CA C 61 61.206 61.544 -0.338 1
1 716 . 18 1 1 A 63 63 TYR CB C 61 39.669 38.946 0.723 1
1 719 . 18 1 1 A 63 63 TYR N N 61 121.402 122.748 -1.346 1
1 720 . 18 1 1 A 64 64 LEU H H 62 8.227 7.918 0.309 1
1 721 . 18 1 1 A 64 64 LEU HA H 62 3.957 4.193 -0.236 1
1 731 . 18 1 1 A 64 64 LEU C C 62 179.458 178.979 0.479 1
1 732 . 18 1 1 A 64 64 LEU CA C 62 57.880 58.051 -0.171 1
1 733 . 18 1 1 A 64 64 LEU CB C 62 42.434 41.254 1.180 1
1 737 . 18 1 1 A 64 64 LEU N N 62 116.209 119.361 -3.152 1
1 738 . 18 1 1 A 65 65 GLU H H 63 8.472 8.506 -0.034 1
1 739 . 18 1 1 A 65 65 GLU HA H 63 3.827 3.967 -0.140 1
1 744 . 18 1 1 A 65 65 GLU C C 63 179.166 179.113 0.053 1
1 745 . 18 1 1 A 65 65 GLU CA C 63 60.265 59.645 0.620 1
1 746 . 18 1 1 A 65 65 GLU CB C 63 29.739 29.257 0.482 1
1 748 . 18 1 1 A 65 65 GLU N N 63 118.559 119.144 -0.585 1
1 749 . 18 1 1 A 66 66 LYS H H 64 7.554 7.779 -0.225 1
1 750 . 18 1 1 A 66 66 LYS HA H 64 4.215 4.215 0.000 1
1 759 . 18 1 1 A 66 66 LYS C C 64 178.302 177.705 0.597 1
1 760 . 18 1 1 A 66 66 LYS CA C 64 58.481 58.409 0.072 1
1 761 . 18 1 1 A 66 66 LYS CB C 64 32.505 32.334 0.171 1
1 765 . 18 1 1 A 66 66 LYS N N 64 117.056 118.714 -1.658 1
1 766 . 18 1 1 A 67 67 CYS H H 65 7.918 7.924 -0.006 1
1 767 . 18 1 1 A 67 67 CYS HA H 65 4.532 4.511 0.021 1
1 770 . 18 1 1 A 67 67 CYS C C 65 174.775 175.065 -0.290 1
1 771 . 18 1 1 A 67 67 CYS CA C 65 56.102 60.999 -4.897 1
1 772 . 18 1 1 A 67 67 CYS CB C 65 45.325 28.771 16.554 1
1 773 . 18 1 1 A 67 67 CYS N N 65 115.236 116.431 -1.195 1
1 774 . 18 1 1 A 68 68 LEU H H 66 7.558 7.358 0.200 1
1 775 . 18 1 1 A 68 68 LEU HA H 66 4.520 4.326 0.194 1
1 785 . 18 1 1 A 68 68 LEU C C 66 176.765 177.017 -0.252 1
1 786 . 18 1 1 A 68 68 LEU CA C 66 55.202 55.181 0.021 1
1 787 . 18 1 1 A 68 68 LEU CB C 66 43.314 41.561 1.753 1
1 791 . 18 1 1 A 68 68 LEU N N 66 121.130 121.488 -0.358 1
1 792 . 18 1 1 A 69 69 ASN H H 67 8.306 9.057 -0.751 1
1 793 . 18 1 1 A 69 69 ASN HA H 67 4.639 4.309 0.330 1
1 798 . 18 1 1 A 69 69 ASN C C 67 174.189 173.938 0.251 1
1 799 . 18 1 1 A 69 69 ASN CA C 67 53.654 54.663 -1.009 1
1 800 . 18 1 1 A 69 69 ASN CB C 67 38.978 37.448 1.530 1
1 801 . 18 1 1 A 69 69 ASN N N 67 120.313 121.986 -1.673 1
1 3 . 19 1 1 A 4 4 PRO HA H 2 4.490 4.646 -0.156 1
1 10 . 19 1 1 A 4 4 PRO C C 2 177.102 176.701 0.401 1
1 11 . 19 1 1 A 4 4 PRO CA C 2 63.319 62.704 0.615 1
1 12 . 19 1 1 A 4 4 PRO CB C 2 32.575 31.611 0.964 1
1 15 . 19 1 1 A 5 5 VAL H H 3 8.259 8.121 0.138 1
1 16 . 19 1 1 A 5 5 VAL HA H 3 4.117 4.406 -0.289 1
1 24 . 19 1 1 A 5 5 VAL C C 3 176.385 175.124 1.261 1
1 25 . 19 1 1 A 5 5 VAL CA C 3 62.629 61.042 1.587 1
1 26 . 19 1 1 A 5 5 VAL CB C 3 33.146 32.271 0.875 1
1 29 . 19 1 1 A 5 5 VAL N N 3 120.806 118.526 2.280 1
1 30 . 19 1 1 A 6 6 SER H H 4 8.345 8.742 -0.397 1
1 31 . 19 1 1 A 6 6 SER HA H 4 4.479 4.724 -0.245 1
1 34 . 19 1 1 A 6 6 SER C C 4 174.687 173.194 1.493 1
1 35 . 19 1 1 A 6 6 SER CA C 4 58.340 57.938 0.402 1
1 36 . 19 1 1 A 6 6 SER CB C 4 64.208 61.140 3.068 1
1 37 . 19 1 1 A 6 6 SER N N 4 119.332 124.313 -4.981 1
1 38 . 19 1 1 A 7 7 LEU H H 5 8.334 8.162 0.172 1
1 39 . 19 1 1 A 7 7 LEU HA H 5 4.384 5.031 -0.647 1
1 45 . 19 1 1 A 7 7 LEU C C 5 177.424 175.302 2.122 1
1 46 . 19 1 1 A 7 7 LEU CA C 5 55.495 53.032 2.463 1
1 47 . 19 1 1 A 7 7 LEU CB C 5 42.786 42.762 0.024 1
1 49 . 19 1 1 A 7 7 LEU N N 5 124.942 121.175 3.767 1
1 50 . 19 1 1 A 8 8 SER H H 6 8.198 8.468 -0.270 1
1 51 . 19 1 1 A 8 8 SER HA H 6 4.407 4.792 -0.385 1
1 54 . 19 1 1 A 8 8 SER C C 6 174.306 172.315 1.991 1
1 55 . 19 1 1 A 8 8 SER CA C 6 58.696 56.913 1.783 1
1 56 . 19 1 1 A 8 8 SER CB C 6 64.136 64.431 -0.295 1
1 57 . 19 1 1 A 8 8 SER N N 6 116.070 118.904 -2.834 1
1 58 . 19 1 1 A 9 9 TYR H H 7 8.005 8.366 -0.361 1
1 59 . 19 1 1 A 9 9 TYR HA H 7 4.547 4.677 -0.130 1
1 66 . 19 1 1 A 9 9 TYR C C 7 175.507 175.498 0.009 1
1 67 . 19 1 1 A 9 9 TYR CA C 7 58.236 58.339 -0.103 1
1 68 . 19 1 1 A 9 9 TYR CB C 7 39.144 38.605 0.539 1
1 71 . 19 1 1 A 9 9 TYR N N 7 122.102 121.197 0.905 1
1 72 . 19 1 1 A 10 10 ARG H H 8 8.142 7.439 0.703 1
1 73 . 19 1 1 A 10 10 ARG HA H 8 4.302 4.585 -0.283 1
1 80 . 19 1 1 A 10 10 ARG C C 8 175.946 175.050 0.896 1
1 81 . 19 1 1 A 10 10 ARG CA C 8 56.102 55.551 0.551 1
1 82 . 19 1 1 A 10 10 ARG CB C 8 31.004 31.195 -0.191 1
1 85 . 19 1 1 A 10 10 ARG N N 8 122.105 121.398 0.707 1
1 86 . 19 1 1 A 11 11 CYS H H 9 8.185 8.761 -0.576 1
1 87 . 19 1 1 A 11 11 CYS HA H 9 4.952 5.014 -0.062 1
1 90 . 19 1 1 A 11 11 CYS CA C 9 53.192 54.789 -1.597 1
1 91 . 19 1 1 A 11 11 CYS CB C 9 40.250 43.067 -2.817 1
1 92 . 19 1 1 A 11 11 CYS N N 9 121.511 124.657 -3.146 1
1 93 . 19 1 1 A 12 12 PRO HA H 10 4.315 4.357 -0.042 1
1 100 . 19 1 1 A 12 12 PRO C C 10 177.980 177.163 0.817 1
1 101 . 19 1 1 A 12 12 PRO CA C 10 65.345 65.634 -0.289 1
1 102 . 19 1 1 A 12 12 PRO CB C 10 32.575 31.252 1.323 1
1 105 . 19 1 1 A 13 13 CYS H H 11 8.719 8.025 0.694 1
1 106 . 19 1 1 A 13 13 CYS N N 11 115.047 113.768 1.279 1
1 107 . 19 1 1 A 14 14 ARG HA H 12 4.028 4.169 -0.141 1
1 114 . 19 1 1 A 14 14 ARG C C 12 175.097 175.944 -0.847 1
1 115 . 19 1 1 A 14 14 ARG CA C 12 57.503 57.492 0.011 1
1 116 . 19 1 1 A 14 14 ARG CB C 12 31.289 31.048 0.241 1
1 119 . 19 1 1 A 15 15 PHE H H 13 7.607 7.995 -0.388 1
1 120 . 19 1 1 A 15 15 PHE HA H 13 4.497 5.070 -0.573 1
1 127 . 19 1 1 A 15 15 PHE C C 13 174.292 175.350 -1.058 1
1 128 . 19 1 1 A 15 15 PHE CA C 13 56.060 56.471 -0.411 1
1 129 . 19 1 1 A 15 15 PHE CB C 13 41.122 41.073 0.049 1
1 132 . 19 1 1 A 15 15 PHE N N 13 116.487 117.123 -0.636 1
1 133 . 19 1 1 A 16 16 PHE H H 14 8.202 9.052 -0.850 1
1 134 . 19 1 1 A 16 16 PHE HA H 14 4.793 5.960 -1.167 1
1 141 . 19 1 1 A 16 16 PHE C C 14 175.433 172.613 2.820 1
1 142 . 19 1 1 A 16 16 PHE CA C 14 55.516 55.269 0.247 1
1 143 . 19 1 1 A 16 16 PHE CB C 14 41.096 42.459 -1.363 1
1 146 . 19 1 1 A 16 16 PHE N N 14 119.591 118.999 0.592 1
1 147 . 19 1 1 A 17 17 GLU H H 15 8.749 9.651 -0.902 1
1 148 . 19 1 1 A 17 17 GLU HA H 15 4.579 4.564 0.015 1
1 153 . 19 1 1 A 17 17 GLU C C 15 176.809 177.060 -0.251 1
1 154 . 19 1 1 A 17 17 GLU CA C 15 56.395 55.987 0.408 1
1 155 . 19 1 1 A 17 17 GLU CB C 15 30.932 31.262 -0.330 1
1 157 . 19 1 1 A 17 17 GLU N N 15 122.719 122.122 0.597 1
1 158 . 19 1 1 A 18 18 SER H H 16 8.764 8.595 0.169 1
1 159 . 19 1 1 A 18 18 SER HA H 16 4.697 4.715 -0.018 1
1 162 . 19 1 1 A 18 18 SER CA C 16 59.637 59.240 0.397 1
1 163 . 19 1 1 A 18 18 SER CB C 16 64.708 64.173 0.535 1
1 164 . 19 1 1 A 18 18 SER N N 16 118.765 121.389 -2.624 1
1 165 . 19 1 1 A 19 19 HIS H H 17 8.617 7.857 0.760 1
1 166 . 19 1 1 A 19 19 HIS HA H 17 4.770 4.635 0.135 1
1 171 . 19 1 1 A 19 19 HIS C C 17 174.658 174.886 -0.228 1
1 172 . 19 1 1 A 19 19 HIS CA C 17 56.750 56.636 0.114 1
1 173 . 19 1 1 A 19 19 HIS CB C 17 29.718 29.925 -0.207 1
1 176 . 19 1 1 A 19 19 HIS N N 17 119.651 120.857 -1.206 1
1 177 . 19 1 1 A 20 20 VAL H H 18 7.360 7.640 -0.280 1
1 178 . 19 1 1 A 20 20 VAL HA H 18 4.100 4.084 0.016 1
1 186 . 19 1 1 A 20 20 VAL C C 18 174.424 174.996 -0.572 1
1 187 . 19 1 1 A 20 20 VAL CA C 18 62.252 62.203 0.049 1
1 188 . 19 1 1 A 20 20 VAL CB C 18 34.146 32.975 1.171 1
1 191 . 19 1 1 A 20 20 VAL N N 18 121.352 120.916 0.436 1
1 192 . 19 1 1 A 21 21 ALA H H 19 8.570 8.144 0.426 1
1 193 . 19 1 1 A 21 21 ALA HA H 19 4.345 4.949 -0.604 1
1 197 . 19 1 1 A 21 21 ALA C C 19 177.570 177.625 -0.055 1
1 198 . 19 1 1 A 21 21 ALA CA C 19 50.997 51.348 -0.351 1
1 199 . 19 1 1 A 21 21 ALA CB C 19 19.579 22.176 -2.597 1
1 200 . 19 1 1 A 21 21 ALA N N 19 131.401 130.875 0.526 1
1 201 . 19 1 1 A 22 22 ARG H H 20 7.838 8.136 -0.298 1
1 202 . 19 1 1 A 22 22 ARG HA H 20 2.545 2.932 -0.387 1
1 209 . 19 1 1 A 22 22 ARG C C 20 178.258 177.275 0.983 1
1 210 . 19 1 1 A 22 22 ARG CA C 20 59.407 58.404 1.003 1
1 211 . 19 1 1 A 22 22 ARG CB C 20 29.433 29.119 0.314 1
1 214 . 19 1 1 A 22 22 ARG N N 20 124.465 121.971 2.494 1
1 215 . 19 1 1 A 23 23 ALA H H 21 8.203 7.671 0.532 1
1 216 . 19 1 1 A 23 23 ALA HA H 21 4.069 4.011 0.058 1
1 220 . 19 1 1 A 23 23 ALA C C 21 177.995 179.850 -1.855 1
1 221 . 19 1 1 A 23 23 ALA CA C 21 54.000 54.605 -0.605 1
1 222 . 19 1 1 A 23 23 ALA CB C 21 18.722 17.788 0.934 1
1 223 . 19 1 1 A 23 23 ALA N N 21 117.242 121.514 -4.272 1
1 224 . 19 1 1 A 24 24 ASN H H 22 7.739 7.800 -0.061 1
1 225 . 19 1 1 A 24 24 ASN HA H 22 4.988 4.556 0.432 1
1 230 . 19 1 1 A 24 24 ASN C C 22 174.848 175.651 -0.803 1
1 231 . 19 1 1 A 24 24 ASN CA C 22 52.509 55.026 -2.517 1
1 232 . 19 1 1 A 24 24 ASN CB C 22 40.358 38.914 1.444 1
1 233 . 19 1 1 A 24 24 ASN N N 22 112.861 115.904 -3.043 1
1 235 . 19 1 1 A 25 25 VAL H H 23 7.524 7.324 0.200 1
1 236 . 19 1 1 A 25 25 VAL HA H 23 4.272 3.937 0.335 1
1 244 . 19 1 1 A 25 25 VAL C C 23 175.755 175.580 0.175 1
1 245 . 19 1 1 A 25 25 VAL CA C 23 62.859 63.474 -0.615 1
1 246 . 19 1 1 A 25 25 VAL CB C 23 33.432 31.864 1.568 1
1 249 . 19 1 1 A 25 25 VAL N N 23 119.883 118.257 1.626 1
1 250 . 19 1 1 A 26 26 LYS H H 24 9.527 9.086 0.441 1
1 251 . 19 1 1 A 26 26 LYS HA H 24 4.298 4.351 -0.053 1
1 260 . 19 1 1 A 26 26 LYS C C 24 176.634 176.691 -0.057 1
1 261 . 19 1 1 A 26 26 LYS CA C 24 58.989 58.025 0.964 1
1 262 . 19 1 1 A 26 26 LYS CB C 24 34.390 33.042 1.348 1
1 266 . 19 1 1 A 26 26 LYS N N 24 128.312 127.867 0.445 1
1 267 . 19 1 1 A 27 27 HIS H H 25 7.214 7.542 -0.328 1
1 268 . 19 1 1 A 27 27 HIS HA H 25 4.965 5.096 -0.131 1
1 273 . 19 1 1 A 27 27 HIS C C 25 172.740 172.668 0.072 1
1 274 . 19 1 1 A 27 27 HIS CA C 25 55.328 54.782 0.546 1
1 275 . 19 1 1 A 27 27 HIS CB C 25 32.882 31.554 1.328 1
1 278 . 19 1 1 A 27 27 HIS N N 25 109.505 113.581 -4.076 1
1 279 . 19 1 1 A 28 28 LEU H H 26 8.066 8.921 -0.855 1
1 280 . 19 1 1 A 28 28 LEU HA H 26 5.156 5.556 -0.400 1
1 290 . 19 1 1 A 28 28 LEU C C 26 175.346 175.161 0.185 1
1 291 . 19 1 1 A 28 28 LEU CA C 26 53.466 53.240 0.226 1
1 292 . 19 1 1 A 28 28 LEU CB C 26 45.200 44.939 0.261 1
1 296 . 19 1 1 A 28 28 LEU N N 26 116.963 119.960 -2.997 1
1 297 . 19 1 1 A 29 29 LYS H H 27 9.549 9.426 0.123 1
1 298 . 19 1 1 A 29 29 LYS HA H 27 5.353 5.103 0.250 1
1 307 . 19 1 1 A 29 29 LYS C C 27 174.716 174.814 -0.098 1
1 308 . 19 1 1 A 29 29 LYS CA C 27 55.118 54.710 0.408 1
1 309 . 19 1 1 A 29 29 LYS CB C 27 35.144 35.260 -0.116 1
1 313 . 19 1 1 A 29 29 LYS N N 27 123.299 123.700 -0.401 1
1 314 . 19 1 1 A 30 30 ILE H H 28 9.140 9.054 0.086 1
1 315 . 19 1 1 A 30 30 ILE HA H 28 4.910 5.192 -0.282 1
1 325 . 19 1 1 A 30 30 ILE C C 28 176.970 174.877 2.093 1
1 326 . 19 1 1 A 30 30 ILE CA C 28 60.390 59.530 0.860 1
1 327 . 19 1 1 A 30 30 ILE CB C 28 39.603 38.273 1.330 1
1 331 . 19 1 1 A 30 30 ILE N N 28 123.823 128.488 -4.665 1
1 332 . 19 1 1 A 31 31 LEU H H 29 8.866 9.275 -0.409 1
1 333 . 19 1 1 A 31 31 LEU HA H 29 4.580 4.674 -0.094 1
1 342 . 19 1 1 A 31 31 LEU C C 29 175.975 176.078 -0.103 1
1 343 . 19 1 1 A 31 31 LEU CA C 29 55.474 53.819 1.655 1
1 344 . 19 1 1 A 31 31 LEU CB C 29 42.749 42.798 -0.049 1
1 347 . 19 1 1 A 31 31 LEU N N 29 128.835 129.044 -0.209 1
1 348 . 19 1 1 A 32 32 ASN H H 30 8.211 8.678 -0.467 1
1 349 . 19 1 1 A 32 32 ASN HA H 30 4.998 4.953 0.045 1
1 354 . 19 1 1 A 32 32 ASN C C 30 174.658 174.667 -0.009 1
1 355 . 19 1 1 A 32 32 ASN CA C 30 52.524 52.291 0.233 1
1 356 . 19 1 1 A 32 32 ASN CB C 30 38.978 39.037 -0.059 1
1 357 . 19 1 1 A 32 32 ASN N N 30 120.696 122.486 -1.790 1
1 359 . 19 1 1 A 33 33 THR H H 31 7.925 8.189 -0.264 1
1 360 . 19 1 1 A 33 33 THR HA H 31 4.784 5.020 -0.236 1
1 365 . 19 1 1 A 33 33 THR CA C 31 58.046 58.304 -0.258 1
1 366 . 19 1 1 A 33 33 THR CB C 31 70.341 70.820 -0.479 1
1 368 . 19 1 1 A 33 33 THR N N 31 116.303 116.932 -0.629 1
1 369 . 19 1 1 A 34 34 PRO HA H 32 4.300 4.459 -0.159 1
1 376 . 19 1 1 A 34 34 PRO C C 32 176.765 176.967 -0.202 1
1 377 . 19 1 1 A 34 34 PRO CA C 32 65.164 65.409 -0.245 1
1 378 . 19 1 1 A 34 34 PRO CB C 32 32.484 31.925 0.559 1
1 381 . 19 1 1 A 35 35 ASN H H 33 8.294 8.577 -0.283 1
1 382 . 19 1 1 A 35 35 ASN C C 33 174.541 173.910 0.631 1
1 383 . 19 1 1 A 35 35 ASN N N 33 120.212 114.290 5.922 1
1 384 . 19 1 1 A 36 36 CYS H H 34 7.561 8.452 -0.891 1
1 385 . 19 1 1 A 36 36 CYS HA H 34 4.884 5.157 -0.273 1
1 388 . 19 1 1 A 36 36 CYS C C 34 173.838 172.019 1.819 1
1 389 . 19 1 1 A 36 36 CYS CA C 34 55.139 55.328 -0.189 1
1 390 . 19 1 1 A 36 36 CYS CB C 34 45.200 46.820 -1.620 1
1 391 . 19 1 1 A 36 36 CYS N N 34 116.986 120.725 -3.739 1
1 392 . 19 1 1 A 37 37 ALA H H 35 8.520 8.406 0.114 1
1 393 . 19 1 1 A 37 37 ALA HA H 35 4.233 4.529 -0.296 1
1 397 . 19 1 1 A 37 37 ALA C C 35 176.326 176.829 -0.503 1
1 398 . 19 1 1 A 37 37 ALA CA C 35 53.152 51.072 2.080 1
1 399 . 19 1 1 A 37 37 ALA CB C 35 18.930 17.969 0.961 1
1 400 . 19 1 1 A 37 37 ALA N N 35 125.167 126.353 -1.186 1
1 401 . 19 1 1 A 38 38 CYS H H 36 8.343 8.039 0.304 1
1 402 . 19 1 1 A 38 38 CYS HA H 36 4.213 4.417 -0.204 1
1 405 . 19 1 1 A 38 38 CYS C C 36 173.589 172.959 0.630 1
1 406 . 19 1 1 A 38 38 CYS CA C 36 58.487 59.887 -1.400 1
1 407 . 19 1 1 A 38 38 CYS CB C 36 45.702 26.679 19.023 1
1 408 . 19 1 1 A 38 38 CYS N N 36 118.786 118.833 -0.047 1
1 409 . 19 1 1 A 39 39 GLN H H 37 8.988 9.180 -0.192 1
1 410 . 19 1 1 A 39 39 GLN HA H 37 4.573 5.102 -0.529 1
1 417 . 19 1 1 A 39 39 GLN C C 37 173.545 174.595 -1.050 1
1 418 . 19 1 1 A 39 39 GLN CA C 37 54.491 54.449 0.042 1
1 419 . 19 1 1 A 39 39 GLN CB C 37 31.876 31.231 0.645 1
1 421 . 19 1 1 A 39 39 GLN N N 37 128.825 124.945 3.880 1
1 423 . 19 1 1 A 40 40 ILE H H 38 8.967 8.968 -0.001 1
1 424 . 19 1 1 A 40 40 ILE HA H 38 5.095 5.237 -0.142 1
1 434 . 19 1 1 A 40 40 ILE C C 38 174.336 174.764 -0.428 1
1 435 . 19 1 1 A 40 40 ILE CA C 38 60.620 59.904 0.716 1
1 436 . 19 1 1 A 40 40 ILE CB C 38 40.235 41.240 -1.005 1
1 440 . 19 1 1 A 40 40 ILE N N 38 124.006 124.686 -0.680 1
1 441 . 19 1 1 A 41 41 VAL H H 39 9.130 9.348 -0.218 1
1 442 . 19 1 1 A 41 41 VAL HA H 39 4.926 4.905 0.021 1
1 450 . 19 1 1 A 41 41 VAL C C 39 175.492 174.400 1.092 1
1 451 . 19 1 1 A 41 41 VAL CA C 39 59.993 60.973 -0.980 1
1 452 . 19 1 1 A 41 41 VAL CB C 39 35.270 34.320 0.950 1
1 455 . 19 1 1 A 41 41 VAL N N 39 125.973 127.381 -1.408 1
1 456 . 19 1 1 A 42 42 ALA H H 40 9.558 9.202 0.356 1
1 457 . 19 1 1 A 42 42 ALA HA H 40 5.123 5.311 -0.188 1
1 461 . 19 1 1 A 42 42 ALA C C 40 175.931 175.231 0.700 1
1 462 . 19 1 1 A 42 42 ALA CA C 40 50.558 50.046 0.512 1
1 463 . 19 1 1 A 42 42 ALA CB C 40 22.072 21.429 0.643 1
1 464 . 19 1 1 A 42 42 ALA N N 40 128.264 129.141 -0.877 1
1 465 . 19 1 1 A 43 43 ARG H H 41 7.707 8.588 -0.881 1
1 466 . 19 1 1 A 43 43 ARG HA H 41 4.966 4.902 0.064 1
1 473 . 19 1 1 A 43 43 ARG C C 41 175.477 174.822 0.655 1
1 474 . 19 1 1 A 43 43 ARG CA C 41 54.000 54.380 -0.380 1
1 475 . 19 1 1 A 43 43 ARG CB C 41 31.122 33.057 -1.935 1
1 478 . 19 1 1 A 43 43 ARG N N 41 121.647 123.713 -2.066 1
1 479 . 19 1 1 A 44 44 LEU H H 42 9.183 8.610 0.573 1
1 480 . 19 1 1 A 44 44 LEU HA H 42 5.009 4.882 0.127 1
1 490 . 19 1 1 A 44 44 LEU C C 42 177.848 177.383 0.465 1
1 491 . 19 1 1 A 44 44 LEU CA C 42 54.596 53.346 1.250 1
1 492 . 19 1 1 A 44 44 LEU CB C 42 41.806 43.953 -2.147 1
1 496 . 19 1 1 A 44 44 LEU N N 42 128.821 127.226 1.595 1
1 497 . 19 1 1 A 45 45 LYS H H 43 8.449 8.519 -0.070 1
1 498 . 19 1 1 A 45 45 LYS N N 43 119.659 119.032 0.627 1
1 499 . 19 1 1 A 48 48 ASN HA H 46 4.716 5.104 -0.388 1
1 504 . 19 1 1 A 48 48 ASN C C 46 175.155 174.459 0.696 1
1 505 . 19 1 1 A 48 48 ASN CA C 46 54.616 51.854 2.762 1
1 506 . 19 1 1 A 48 48 ASN CB C 46 39.292 41.102 -1.810 1
1 508 . 19 1 1 A 49 49 ARG H H 47 7.926 8.857 -0.931 1
1 509 . 19 1 1 A 49 49 ARG HA H 47 4.274 5.071 -0.797 1
1 516 . 19 1 1 A 49 49 ARG C C 47 175.433 174.405 1.028 1
1 517 . 19 1 1 A 49 49 ARG CA C 47 57.252 53.933 3.319 1
1 518 . 19 1 1 A 49 49 ARG CB C 47 32.128 32.472 -0.344 1
1 521 . 19 1 1 A 49 49 ARG N N 47 120.086 117.462 2.624 1
1 522 . 19 1 1 A 50 50 GLN H H 48 8.542 8.627 -0.085 1
1 523 . 19 1 1 A 50 50 GLN HA H 48 5.478 4.971 0.507 1
1 528 . 19 1 1 A 50 50 GLN C C 48 175.697 175.484 0.213 1
1 529 . 19 1 1 A 50 50 GLN CA C 48 55.077 55.011 0.066 1
1 530 . 19 1 1 A 50 50 GLN CB C 48 31.751 30.171 1.580 1
1 532 . 19 1 1 A 50 50 GLN N N 48 120.774 119.796 0.978 1
1 533 . 19 1 1 A 51 51 VAL H H 49 8.710 9.078 -0.368 1
1 534 . 19 1 1 A 51 51 VAL HA H 49 4.781 4.852 -0.071 1
1 542 . 19 1 1 A 51 51 VAL C C 49 175.185 173.567 1.618 1
1 543 . 19 1 1 A 51 51 VAL CA C 49 59.344 58.880 0.464 1
1 544 . 19 1 1 A 51 51 VAL CB C 49 36.024 35.709 0.315 1
1 547 . 19 1 1 A 51 51 VAL N N 49 117.392 118.561 -1.169 1
1 548 . 19 1 1 A 52 52 CYS H H 50 9.184 8.937 0.247 1
1 549 . 19 1 1 A 52 52 CYS HA H 50 5.313 5.395 -0.082 1
1 552 . 19 1 1 A 52 52 CYS C C 50 174.380 173.653 0.727 1
1 553 . 19 1 1 A 52 52 CYS CA C 50 57.984 54.320 3.664 1
1 554 . 19 1 1 A 52 52 CYS CB C 50 42.661 45.546 -2.885 1
1 555 . 19 1 1 A 52 52 CYS N N 50 124.238 120.796 3.442 1
1 556 . 19 1 1 A 53 53 ILE H H 51 8.434 9.399 -0.965 1
1 557 . 19 1 1 A 53 53 ILE HA H 51 4.928 5.320 -0.392 1
1 567 . 19 1 1 A 53 53 ILE C C 51 172.931 173.139 -0.208 1
1 568 . 19 1 1 A 53 53 ILE CA C 51 58.675 58.923 -0.248 1
1 569 . 19 1 1 A 53 53 ILE CB C 51 42.309 42.128 0.181 1
1 573 . 19 1 1 A 53 53 ILE N N 51 122.034 120.814 1.220 1
1 574 . 19 1 1 A 54 54 ASP H H 52 7.702 8.666 -0.964 1
1 575 . 19 1 1 A 54 54 ASP HA H 52 3.426 4.817 -1.391 1
1 578 . 19 1 1 A 54 54 ASP CA C 52 51.251 50.331 0.920 1
1 579 . 19 1 1 A 54 54 ASP CB C 52 42.515 41.620 0.895 1
1 580 . 19 1 1 A 54 54 ASP N N 52 125.815 122.480 3.335 1
1 581 . 19 1 1 A 55 55 PRO HA H 53 3.986 4.128 -0.142 1
1 588 . 19 1 1 A 55 55 PRO C C 53 176.034 177.786 -1.752 1
1 589 . 19 1 1 A 55 55 PRO CA C 53 63.947 64.303 -0.356 1
1 590 . 19 1 1 A 55 55 PRO CB C 53 33.000 31.870 1.130 1
1 593 . 19 1 1 A 56 56 LYS H H 54 7.889 8.144 -0.255 1
1 594 . 19 1 1 A 56 56 LYS HA H 54 3.993 4.108 -0.115 1
1 603 . 19 1 1 A 56 56 LYS C C 54 177.922 176.718 1.204 1
1 604 . 19 1 1 A 56 56 LYS CA C 54 56.729 57.617 -0.888 1
1 605 . 19 1 1 A 56 56 LYS CB C 54 31.751 32.356 -0.605 1
1 609 . 19 1 1 A 56 56 LYS N N 54 112.456 116.869 -4.413 1
1 610 . 19 1 1 A 57 57 LEU H H 55 7.157 7.169 -0.012 1
1 611 . 19 1 1 A 57 57 LEU HA H 55 4.040 4.079 -0.039 1
1 621 . 19 1 1 A 57 57 LEU C C 55 179.268 177.186 2.082 1
1 622 . 19 1 1 A 57 57 LEU CA C 55 55.997 55.008 0.989 1
1 623 . 19 1 1 A 57 57 LEU CB C 55 42.309 41.548 0.761 1
1 627 . 19 1 1 A 57 57 LEU N N 55 120.452 121.123 -0.671 1
1 628 . 19 1 1 A 58 58 LYS H H 56 8.731 8.767 -0.036 1
1 629 . 19 1 1 A 58 58 LYS HA H 56 3.913 3.906 0.007 1
1 638 . 19 1 1 A 58 58 LYS C C 56 178.917 178.385 0.532 1
1 639 . 19 1 1 A 58 58 LYS CA C 56 60.202 58.972 1.230 1
1 640 . 19 1 1 A 58 58 LYS CB C 56 32.253 32.290 -0.037 1
1 644 . 19 1 1 A 58 58 LYS N N 56 125.307 124.754 0.553 1
1 645 . 19 1 1 A 59 59 TRP H H 57 7.884 8.187 -0.303 1
1 646 . 19 1 1 A 59 59 TRP HA H 57 4.637 4.504 0.133 1
1 654 . 19 1 1 A 59 59 TRP C C 57 178.829 179.469 -0.640 1
1 655 . 19 1 1 A 59 59 TRP CA C 57 58.779 59.960 -1.181 1
1 656 . 19 1 1 A 59 59 TRP CB C 57 27.854 27.945 -0.091 1
1 662 . 19 1 1 A 59 59 TRP N N 57 113.503 119.288 -5.785 1
1 663 . 19 1 1 A 60 60 ILE H H 58 6.449 7.492 -1.043 1
1 664 . 19 1 1 A 60 60 ILE HA H 58 3.284 3.289 -0.005 1
1 674 . 19 1 1 A 60 60 ILE C C 58 177.687 177.971 -0.284 1
1 675 . 19 1 1 A 60 60 ILE CA C 58 64.177 64.873 -0.696 1
1 676 . 19 1 1 A 60 60 ILE CB C 58 35.710 37.540 -1.830 1
1 680 . 19 1 1 A 60 60 ILE N N 58 124.379 122.481 1.898 1
1 681 . 19 1 1 A 61 61 GLN H H 59 7.646 7.711 -0.065 1
1 682 . 19 1 1 A 61 61 GLN HA H 59 3.738 4.049 -0.311 1
1 689 . 19 1 1 A 61 61 GLN C C 59 178.361 179.055 -0.694 1
1 690 . 19 1 1 A 61 61 GLN CA C 59 59.302 59.070 0.232 1
1 691 . 19 1 1 A 61 61 GLN CB C 59 28.357 27.951 0.406 1
1 693 . 19 1 1 A 61 61 GLN N N 59 118.966 118.151 0.815 1
1 695 . 19 1 1 A 62 62 GLU H H 60 8.075 8.021 0.054 1
1 696 . 19 1 1 A 62 62 GLU HA H 60 4.076 4.142 -0.066 1
1 701 . 19 1 1 A 62 62 GLU C C 60 179.019 178.485 0.534 1
1 702 . 19 1 1 A 62 62 GLU CA C 60 59.637 58.871 0.766 1
1 703 . 19 1 1 A 62 62 GLU CB C 60 30.368 29.479 0.889 1
1 705 . 19 1 1 A 62 62 GLU N N 60 117.105 120.937 -3.832 1
1 706 . 19 1 1 A 63 63 TYR H H 61 7.922 8.050 -0.128 1
1 707 . 19 1 1 A 63 63 TYR HA H 61 4.237 4.321 -0.084 1
1 714 . 19 1 1 A 63 63 TYR C C 61 178.551 177.894 0.657 1
1 715 . 19 1 1 A 63 63 TYR CA C 61 61.206 61.663 -0.457 1
1 716 . 19 1 1 A 63 63 TYR CB C 61 39.669 38.841 0.828 1
1 719 . 19 1 1 A 63 63 TYR N N 61 121.402 122.819 -1.417 1
1 720 . 19 1 1 A 64 64 LEU H H 62 8.227 7.956 0.271 1
1 721 . 19 1 1 A 64 64 LEU HA H 62 3.957 4.166 -0.209 1
1 731 . 19 1 1 A 64 64 LEU C C 62 179.458 178.945 0.513 1
1 732 . 19 1 1 A 64 64 LEU CA C 62 57.880 58.091 -0.211 1
1 733 . 19 1 1 A 64 64 LEU CB C 62 42.434 41.197 1.237 1
1 737 . 19 1 1 A 64 64 LEU N N 62 116.209 119.141 -2.932 1
1 738 . 19 1 1 A 65 65 GLU H H 63 8.472 8.291 0.181 1
1 739 . 19 1 1 A 65 65 GLU HA H 63 3.827 4.074 -0.247 1
1 744 . 19 1 1 A 65 65 GLU C C 63 179.166 178.649 0.517 1
1 745 . 19 1 1 A 65 65 GLU CA C 63 60.265 59.162 1.103 1
1 746 . 19 1 1 A 65 65 GLU CB C 63 29.739 29.395 0.344 1
1 748 . 19 1 1 A 65 65 GLU N N 63 118.559 118.891 -0.332 1
1 749 . 19 1 1 A 66 66 LYS H H 64 7.554 7.761 -0.207 1
1 750 . 19 1 1 A 66 66 LYS HA H 64 4.215 4.302 -0.087 1
1 759 . 19 1 1 A 66 66 LYS C C 64 178.302 177.483 0.819 1
1 760 . 19 1 1 A 66 66 LYS CA C 64 58.481 57.991 0.490 1
1 761 . 19 1 1 A 66 66 LYS CB C 64 32.505 32.247 0.258 1
1 765 . 19 1 1 A 66 66 LYS N N 64 117.056 118.167 -1.111 1
1 766 . 19 1 1 A 67 67 CYS H H 65 7.918 7.883 0.035 1
1 767 . 19 1 1 A 67 67 CYS HA H 65 4.532 4.623 -0.091 1
1 770 . 19 1 1 A 67 67 CYS C C 65 174.775 174.004 0.771 1
1 771 . 19 1 1 A 67 67 CYS CA C 65 56.102 58.521 -2.419 1
1 772 . 19 1 1 A 67 67 CYS CB C 65 45.325 27.726 17.599 1
1 773 . 19 1 1 A 67 67 CYS N N 65 115.236 116.681 -1.445 1
1 774 . 19 1 1 A 68 68 LEU H H 66 7.558 7.532 0.026 1
1 775 . 19 1 1 A 68 68 LEU HA H 66 4.520 4.471 0.049 1
1 785 . 19 1 1 A 68 68 LEU C C 66 176.765 176.774 -0.009 1
1 786 . 19 1 1 A 68 68 LEU CA C 66 55.202 54.065 1.137 1
1 787 . 19 1 1 A 68 68 LEU CB C 66 43.314 42.130 1.184 1
1 791 . 19 1 1 A 68 68 LEU N N 66 121.130 122.431 -1.301 1
1 792 . 19 1 1 A 69 69 ASN H H 67 8.306 9.541 -1.235 1
1 793 . 19 1 1 A 69 69 ASN HA H 67 4.639 4.379 0.260 1
1 798 . 19 1 1 A 69 69 ASN C C 67 174.189 174.629 -0.440 1
1 799 . 19 1 1 A 69 69 ASN CA C 67 53.654 54.889 -1.235 1
1 800 . 19 1 1 A 69 69 ASN CB C 67 38.978 36.993 1.985 1
1 801 . 19 1 1 A 69 69 ASN N N 67 120.313 123.931 -3.618 1
1 3 . 20 1 1 A 4 4 PRO HA H 2 4.490 4.623 -0.133 1
1 10 . 20 1 1 A 4 4 PRO C C 2 177.102 176.033 1.069 1
1 11 . 20 1 1 A 4 4 PRO CA C 2 63.319 62.326 0.993 1
1 12 . 20 1 1 A 4 4 PRO CB C 2 32.575 33.206 -0.631 1
1 15 . 20 1 1 A 5 5 VAL H H 3 8.259 8.196 0.063 1
1 16 . 20 1 1 A 5 5 VAL HA H 3 4.117 4.861 -0.744 1
1 24 . 20 1 1 A 5 5 VAL C C 3 176.385 174.518 1.867 1
1 25 . 20 1 1 A 5 5 VAL CA C 3 62.629 59.146 3.483 1
1 26 . 20 1 1 A 5 5 VAL CB C 3 33.146 35.107 -1.961 1
1 29 . 20 1 1 A 5 5 VAL N N 3 120.806 115.053 5.753 1
1 30 . 20 1 1 A 6 6 SER H H 4 8.345 8.830 -0.485 1
1 31 . 20 1 1 A 6 6 SER HA H 4 4.479 4.546 -0.067 1
1 34 . 20 1 1 A 6 6 SER C C 4 174.687 173.127 1.560 1
1 35 . 20 1 1 A 6 6 SER CA C 4 58.340 57.232 1.108 1
1 36 . 20 1 1 A 6 6 SER CB C 4 64.208 63.299 0.909 1
1 37 . 20 1 1 A 6 6 SER N N 4 119.332 118.678 0.654 1
1 38 . 20 1 1 A 7 7 LEU H H 5 8.334 8.900 -0.566 1
1 39 . 20 1 1 A 7 7 LEU HA H 5 4.384 4.486 -0.102 1
1 45 . 20 1 1 A 7 7 LEU C C 5 177.424 174.972 2.452 1
1 46 . 20 1 1 A 7 7 LEU CA C 5 55.495 54.191 1.304 1
1 47 . 20 1 1 A 7 7 LEU CB C 5 42.786 39.955 2.831 1
1 49 . 20 1 1 A 7 7 LEU N N 5 124.942 129.767 -4.825 1
1 50 . 20 1 1 A 8 8 SER H H 6 8.198 7.973 0.225 1
1 51 . 20 1 1 A 8 8 SER HA H 6 4.407 4.961 -0.554 1
1 54 . 20 1 1 A 8 8 SER C C 6 174.306 173.228 1.078 1
1 55 . 20 1 1 A 8 8 SER CA C 6 58.696 56.105 2.591 1
1 56 . 20 1 1 A 8 8 SER CB C 6 64.136 66.317 -2.181 1
1 57 . 20 1 1 A 8 8 SER N N 6 116.070 115.379 0.691 1
1 58 . 20 1 1 A 9 9 TYR H H 7 8.005 8.379 -0.374 1
1 59 . 20 1 1 A 9 9 TYR HA H 7 4.547 4.676 -0.129 1
1 66 . 20 1 1 A 9 9 TYR C C 7 175.507 175.711 -0.204 1
1 67 . 20 1 1 A 9 9 TYR CA C 7 58.236 57.808 0.428 1
1 68 . 20 1 1 A 9 9 TYR CB C 7 39.144 38.282 0.862 1
1 71 . 20 1 1 A 9 9 TYR N N 7 122.102 118.895 3.207 1
1 72 . 20 1 1 A 10 10 ARG H H 8 8.142 7.607 0.535 1
1 73 . 20 1 1 A 10 10 ARG HA H 8 4.302 4.529 -0.227 1
1 80 . 20 1 1 A 10 10 ARG C C 8 175.946 175.187 0.759 1
1 81 . 20 1 1 A 10 10 ARG CA C 8 56.102 55.936 0.166 1
1 82 . 20 1 1 A 10 10 ARG CB C 8 31.004 31.027 -0.023 1
1 85 . 20 1 1 A 10 10 ARG N N 8 122.105 120.387 1.718 1
1 86 . 20 1 1 A 11 11 CYS H H 9 8.185 8.651 -0.466 1
1 87 . 20 1 1 A 11 11 CYS HA H 9 4.952 4.989 -0.037 1
1 90 . 20 1 1 A 11 11 CYS CA C 9 53.192 54.764 -1.572 1
1 91 . 20 1 1 A 11 11 CYS CB C 9 40.250 43.298 -3.048 1
1 92 . 20 1 1 A 11 11 CYS N N 9 121.511 122.647 -1.136 1
1 93 . 20 1 1 A 12 12 PRO HA H 10 4.315 4.358 -0.043 1
1 100 . 20 1 1 A 12 12 PRO C C 10 177.980 177.000 0.980 1
1 101 . 20 1 1 A 12 12 PRO CA C 10 65.345 65.824 -0.479 1
1 102 . 20 1 1 A 12 12 PRO CB C 10 32.575 31.175 1.400 1
1 105 . 20 1 1 A 13 13 CYS H H 11 8.719 8.581 0.138 1
1 106 . 20 1 1 A 13 13 CYS N N 11 115.047 114.014 1.033 1
1 107 . 20 1 1 A 14 14 ARG HA H 12 4.028 4.392 -0.364 1
1 114 . 20 1 1 A 14 14 ARG C C 12 175.097 175.562 -0.465 1
1 115 . 20 1 1 A 14 14 ARG CA C 12 57.503 56.375 1.128 1
1 116 . 20 1 1 A 14 14 ARG CB C 12 31.289 30.768 0.521 1
1 119 . 20 1 1 A 15 15 PHE H H 13 7.607 7.744 -0.137 1
1 120 . 20 1 1 A 15 15 PHE HA H 13 4.497 5.328 -0.831 1
1 127 . 20 1 1 A 15 15 PHE C C 13 174.292 175.343 -1.051 1
1 128 . 20 1 1 A 15 15 PHE CA C 13 56.060 56.383 -0.323 1
1 129 . 20 1 1 A 15 15 PHE CB C 13 41.122 42.048 -0.926 1
1 132 . 20 1 1 A 15 15 PHE N N 13 116.487 118.120 -1.633 1
1 133 . 20 1 1 A 16 16 PHE H H 14 8.202 9.120 -0.918 1
1 134 . 20 1 1 A 16 16 PHE HA H 14 4.793 5.830 -1.037 1
1 141 . 20 1 1 A 16 16 PHE C C 14 175.433 173.699 1.734 1
1 142 . 20 1 1 A 16 16 PHE CA C 14 55.516 55.208 0.308 1
1 143 . 20 1 1 A 16 16 PHE CB C 14 41.096 42.506 -1.410 1
1 146 . 20 1 1 A 16 16 PHE N N 14 119.591 118.043 1.548 1
1 147 . 20 1 1 A 17 17 GLU H H 15 8.749 9.540 -0.791 1
1 148 . 20 1 1 A 17 17 GLU HA H 15 4.579 4.254 0.325 1
1 153 . 20 1 1 A 17 17 GLU C C 15 176.809 176.522 0.287 1
1 154 . 20 1 1 A 17 17 GLU CA C 15 56.395 57.075 -0.680 1
1 155 . 20 1 1 A 17 17 GLU CB C 15 30.932 30.019 0.913 1
1 157 . 20 1 1 A 17 17 GLU N N 15 122.719 120.674 2.045 1
1 158 . 20 1 1 A 18 18 SER H H 16 8.764 8.640 0.124 1
1 159 . 20 1 1 A 18 18 SER HA H 16 4.697 4.638 0.059 1
1 162 . 20 1 1 A 18 18 SER CA C 16 59.637 59.437 0.200 1
1 163 . 20 1 1 A 18 18 SER CB C 16 64.708 63.741 0.967 1
1 164 . 20 1 1 A 18 18 SER N N 16 118.765 119.383 -0.618 1
1 165 . 20 1 1 A 19 19 HIS H H 17 8.617 7.916 0.701 1
1 166 . 20 1 1 A 19 19 HIS HA H 17 4.770 4.690 0.080 1
1 171 . 20 1 1 A 19 19 HIS C C 17 174.658 175.584 -0.926 1
1 172 . 20 1 1 A 19 19 HIS CA C 17 56.750 56.491 0.259 1
1 173 . 20 1 1 A 19 19 HIS CB C 17 29.718 29.885 -0.167 1
1 176 . 20 1 1 A 19 19 HIS N N 17 119.651 120.551 -0.900 1
1 177 . 20 1 1 A 20 20 VAL H H 18 7.360 7.389 -0.029 1
1 178 . 20 1 1 A 20 20 VAL HA H 18 4.100 3.886 0.214 1
1 186 . 20 1 1 A 20 20 VAL C C 18 174.424 175.213 -0.789 1
1 187 . 20 1 1 A 20 20 VAL CA C 18 62.252 63.439 -1.187 1
1 188 . 20 1 1 A 20 20 VAL CB C 18 34.146 32.213 1.933 1
1 191 . 20 1 1 A 20 20 VAL N N 18 121.352 120.459 0.893 1
1 192 . 20 1 1 A 21 21 ALA H H 19 8.570 8.245 0.325 1
1 193 . 20 1 1 A 21 21 ALA HA H 19 4.345 4.518 -0.173 1
1 197 . 20 1 1 A 21 21 ALA C C 19 177.570 177.679 -0.109 1
1 198 . 20 1 1 A 21 21 ALA CA C 19 50.997 50.469 0.528 1
1 199 . 20 1 1 A 21 21 ALA CB C 19 19.579 20.546 -0.967 1
1 200 . 20 1 1 A 21 21 ALA N N 19 131.401 130.936 0.465 1
1 201 . 20 1 1 A 22 22 ARG H H 20 7.838 7.961 -0.123 1
1 202 . 20 1 1 A 22 22 ARG HA H 20 2.545 2.886 -0.341 1
1 209 . 20 1 1 A 22 22 ARG C C 20 178.258 177.410 0.848 1
1 210 . 20 1 1 A 22 22 ARG CA C 20 59.407 58.470 0.937 1
1 211 . 20 1 1 A 22 22 ARG CB C 20 29.433 28.994 0.439 1
1 214 . 20 1 1 A 22 22 ARG N N 20 124.465 122.509 1.956 1
1 215 . 20 1 1 A 23 23 ALA H H 21 8.203 7.537 0.666 1
1 216 . 20 1 1 A 23 23 ALA HA H 21 4.069 3.983 0.086 1
1 220 . 20 1 1 A 23 23 ALA C C 21 177.995 179.591 -1.596 1
1 221 . 20 1 1 A 23 23 ALA CA C 21 54.000 54.135 -0.135 1
1 222 . 20 1 1 A 23 23 ALA CB C 21 18.722 18.162 0.560 1
1 223 . 20 1 1 A 23 23 ALA N N 21 117.242 121.158 -3.916 1
1 224 . 20 1 1 A 24 24 ASN H H 22 7.739 7.842 -0.103 1
1 225 . 20 1 1 A 24 24 ASN HA H 22 4.988 4.600 0.388 1
1 230 . 20 1 1 A 24 24 ASN C C 22 174.848 175.628 -0.780 1
1 231 . 20 1 1 A 24 24 ASN CA C 22 52.509 55.026 -2.517 1
1 232 . 20 1 1 A 24 24 ASN CB C 22 40.358 39.220 1.138 1
1 233 . 20 1 1 A 24 24 ASN N N 22 112.861 116.171 -3.310 1
1 235 . 20 1 1 A 25 25 VAL H H 23 7.524 7.262 0.262 1
1 236 . 20 1 1 A 25 25 VAL HA H 23 4.272 3.982 0.290 1
1 244 . 20 1 1 A 25 25 VAL C C 23 175.755 175.495 0.260 1
1 245 . 20 1 1 A 25 25 VAL CA C 23 62.859 63.545 -0.686 1
1 246 . 20 1 1 A 25 25 VAL CB C 23 33.432 31.972 1.460 1
1 249 . 20 1 1 A 25 25 VAL N N 23 119.883 119.253 0.630 1
1 250 . 20 1 1 A 26 26 LYS H H 24 9.527 9.219 0.308 1
1 251 . 20 1 1 A 26 26 LYS HA H 24 4.298 4.328 -0.030 1
1 260 . 20 1 1 A 26 26 LYS C C 24 176.634 176.694 -0.060 1
1 261 . 20 1 1 A 26 26 LYS CA C 24 58.989 57.925 1.064 1
1 262 . 20 1 1 A 26 26 LYS CB C 24 34.390 32.938 1.452 1
1 266 . 20 1 1 A 26 26 LYS N N 24 128.312 127.432 0.880 1
1 267 . 20 1 1 A 27 27 HIS H H 25 7.214 7.513 -0.299 1
1 268 . 20 1 1 A 27 27 HIS HA H 25 4.965 5.071 -0.106 1
1 273 . 20 1 1 A 27 27 HIS C C 25 172.740 172.625 0.115 1
1 274 . 20 1 1 A 27 27 HIS CA C 25 55.328 54.812 0.516 1
1 275 . 20 1 1 A 27 27 HIS CB C 25 32.882 31.571 1.311 1
1 278 . 20 1 1 A 27 27 HIS N N 25 109.505 113.560 -4.055 1
1 279 . 20 1 1 A 28 28 LEU H H 26 8.066 8.824 -0.758 1
1 280 . 20 1 1 A 28 28 LEU HA H 26 5.156 5.577 -0.421 1
1 290 . 20 1 1 A 28 28 LEU C C 26 175.346 175.464 -0.118 1
1 291 . 20 1 1 A 28 28 LEU CA C 26 53.466 53.308 0.158 1
1 292 . 20 1 1 A 28 28 LEU CB C 26 45.200 45.265 -0.065 1
1 296 . 20 1 1 A 28 28 LEU N N 26 116.963 119.902 -2.939 1
1 297 . 20 1 1 A 29 29 LYS H H 27 9.549 9.048 0.501 1
1 298 . 20 1 1 A 29 29 LYS HA H 27 5.353 5.218 0.135 1
1 307 . 20 1 1 A 29 29 LYS C C 27 174.716 174.578 0.138 1
1 308 . 20 1 1 A 29 29 LYS CA C 27 55.118 54.840 0.278 1
1 309 . 20 1 1 A 29 29 LYS CB C 27 35.144 35.770 -0.626 1
1 313 . 20 1 1 A 29 29 LYS N N 27 123.299 122.782 0.517 1
1 314 . 20 1 1 A 30 30 ILE H H 28 9.140 8.995 0.145 1
1 315 . 20 1 1 A 30 30 ILE HA H 28 4.910 5.175 -0.265 1
1 325 . 20 1 1 A 30 30 ILE C C 28 176.970 174.937 2.033 1
1 326 . 20 1 1 A 30 30 ILE CA C 28 60.390 59.495 0.895 1
1 327 . 20 1 1 A 30 30 ILE CB C 28 39.603 38.303 1.300 1
1 331 . 20 1 1 A 30 30 ILE N N 28 123.823 127.992 -4.169 1
1 332 . 20 1 1 A 31 31 LEU H H 29 8.866 9.159 -0.293 1
1 333 . 20 1 1 A 31 31 LEU HA H 29 4.580 4.648 -0.068 1
1 342 . 20 1 1 A 31 31 LEU C C 29 175.975 176.230 -0.255 1
1 343 . 20 1 1 A 31 31 LEU CA C 29 55.474 53.726 1.748 1
1 344 . 20 1 1 A 31 31 LEU CB C 29 42.749 42.806 -0.057 1
1 347 . 20 1 1 A 31 31 LEU N N 29 128.835 129.084 -0.249 1
1 348 . 20 1 1 A 32 32 ASN H H 30 8.211 8.693 -0.482 1
1 349 . 20 1 1 A 32 32 ASN HA H 30 4.998 5.061 -0.063 1
1 354 . 20 1 1 A 32 32 ASN C C 30 174.658 174.874 -0.216 1
1 355 . 20 1 1 A 32 32 ASN CA C 30 52.524 52.196 0.328 1
1 356 . 20 1 1 A 32 32 ASN CB C 30 38.978 39.713 -0.735 1
1 357 . 20 1 1 A 32 32 ASN N N 30 120.696 122.110 -1.414 1
1 359 . 20 1 1 A 33 33 THR H H 31 7.925 8.178 -0.253 1
1 360 . 20 1 1 A 33 33 THR HA H 31 4.784 4.947 -0.163 1
1 365 . 20 1 1 A 33 33 THR CA C 31 58.046 58.320 -0.274 1
1 366 . 20 1 1 A 33 33 THR CB C 31 70.341 69.860 0.481 1
1 368 . 20 1 1 A 33 33 THR N N 31 116.303 117.270 -0.967 1
1 369 . 20 1 1 A 34 34 PRO HA H 32 4.300 4.386 -0.086 1
1 376 . 20 1 1 A 34 34 PRO C C 32 176.765 176.948 -0.183 1
1 377 . 20 1 1 A 34 34 PRO CA C 32 65.164 64.830 0.334 1
1 378 . 20 1 1 A 34 34 PRO CB C 32 32.484 31.618 0.866 1
1 381 . 20 1 1 A 35 35 ASN H H 33 8.294 7.852 0.442 1
1 382 . 20 1 1 A 35 35 ASN C C 33 174.541 173.370 1.171 1
1 383 . 20 1 1 A 35 35 ASN N N 33 120.212 113.412 6.800 1
1 384 . 20 1 1 A 36 36 CYS H H 34 7.561 8.790 -1.229 1
1 385 . 20 1 1 A 36 36 CYS HA H 34 4.884 5.211 -0.327 1
1 388 . 20 1 1 A 36 36 CYS C C 34 173.838 172.266 1.572 1
1 389 . 20 1 1 A 36 36 CYS CA C 34 55.139 55.081 0.058 1
1 390 . 20 1 1 A 36 36 CYS CB C 34 45.200 46.818 -1.618 1
1 391 . 20 1 1 A 36 36 CYS N N 34 116.986 123.276 -6.290 1
1 392 . 20 1 1 A 37 37 ALA H H 35 8.520 8.323 0.197 1
1 393 . 20 1 1 A 37 37 ALA HA H 35 4.233 4.407 -0.174 1
1 397 . 20 1 1 A 37 37 ALA C C 35 176.326 176.835 -0.509 1
1 398 . 20 1 1 A 37 37 ALA CA C 35 53.152 50.822 2.330 1
1 399 . 20 1 1 A 37 37 ALA CB C 35 18.930 17.277 1.653 1
1 400 . 20 1 1 A 37 37 ALA N N 35 125.167 125.734 -0.567 1
1 401 . 20 1 1 A 38 38 CYS H H 36 8.343 8.204 0.139 1
1 402 . 20 1 1 A 38 38 CYS HA H 36 4.213 4.162 0.051 1
1 405 . 20 1 1 A 38 38 CYS C C 36 173.589 173.334 0.255 1
1 406 . 20 1 1 A 38 38 CYS CA C 36 58.487 59.883 -1.396 1
1 407 . 20 1 1 A 38 38 CYS CB C 36 45.702 26.375 19.327 1
1 408 . 20 1 1 A 38 38 CYS N N 36 118.786 117.625 1.161 1
1 409 . 20 1 1 A 39 39 GLN H H 37 8.988 9.040 -0.052 1
1 410 . 20 1 1 A 39 39 GLN HA H 37 4.573 4.920 -0.347 1
1 417 . 20 1 1 A 39 39 GLN C C 37 173.545 174.862 -1.317 1
1 418 . 20 1 1 A 39 39 GLN CA C 37 54.491 54.813 -0.322 1
1 419 . 20 1 1 A 39 39 GLN CB C 37 31.876 30.357 1.519 1
1 421 . 20 1 1 A 39 39 GLN N N 37 128.825 124.915 3.910 1
1 423 . 20 1 1 A 40 40 ILE H H 38 8.967 8.955 0.012 1
1 424 . 20 1 1 A 40 40 ILE HA H 38 5.095 5.194 -0.099 1
1 434 . 20 1 1 A 40 40 ILE C C 38 174.336 174.333 0.003 1
1 435 . 20 1 1 A 40 40 ILE CA C 38 60.620 60.039 0.581 1
1 436 . 20 1 1 A 40 40 ILE CB C 38 40.235 41.060 -0.825 1
1 440 . 20 1 1 A 40 40 ILE N N 38 124.006 124.824 -0.818 1
1 441 . 20 1 1 A 41 41 VAL H H 39 9.130 9.427 -0.297 1
1 442 . 20 1 1 A 41 41 VAL HA H 39 4.926 4.663 0.263 1
1 450 . 20 1 1 A 41 41 VAL C C 39 175.492 174.385 1.107 1
1 451 . 20 1 1 A 41 41 VAL CA C 39 59.993 61.111 -1.118 1
1 452 . 20 1 1 A 41 41 VAL CB C 39 35.270 33.903 1.367 1
1 455 . 20 1 1 A 41 41 VAL N N 39 125.973 128.604 -2.631 1
1 456 . 20 1 1 A 42 42 ALA H H 40 9.558 9.315 0.243 1
1 457 . 20 1 1 A 42 42 ALA HA H 40 5.123 5.223 -0.100 1
1 461 . 20 1 1 A 42 42 ALA C C 40 175.931 175.126 0.805 1
1 462 . 20 1 1 A 42 42 ALA CA C 40 50.558 50.125 0.433 1
1 463 . 20 1 1 A 42 42 ALA CB C 40 22.072 21.441 0.631 1
1 464 . 20 1 1 A 42 42 ALA N N 40 128.264 129.222 -0.958 1
1 465 . 20 1 1 A 43 43 ARG H H 41 7.707 8.504 -0.797 1
1 466 . 20 1 1 A 43 43 ARG HA H 41 4.966 4.690 0.276 1
1 473 . 20 1 1 A 43 43 ARG C C 41 175.477 175.045 0.432 1
1 474 . 20 1 1 A 43 43 ARG CA C 41 54.000 54.785 -0.785 1
1 475 . 20 1 1 A 43 43 ARG CB C 41 31.122 31.400 -0.278 1
1 478 . 20 1 1 A 43 43 ARG N N 41 121.647 123.945 -2.298 1
1 479 . 20 1 1 A 44 44 LEU H H 42 9.183 9.038 0.145 1
1 480 . 20 1 1 A 44 44 LEU HA H 42 5.009 4.925 0.084 1
1 490 . 20 1 1 A 44 44 LEU C C 42 177.848 177.839 0.009 1
1 491 . 20 1 1 A 44 44 LEU CA C 42 54.596 53.509 1.087 1
1 492 . 20 1 1 A 44 44 LEU CB C 42 41.806 43.507 -1.701 1
1 496 . 20 1 1 A 44 44 LEU N N 42 128.821 127.753 1.068 1
1 497 . 20 1 1 A 45 45 LYS H H 43 8.449 8.789 -0.340 1
1 498 . 20 1 1 A 45 45 LYS N N 43 119.659 119.185 0.474 1
1 499 . 20 1 1 A 48 48 ASN HA H 46 4.716 4.916 -0.200 1
1 504 . 20 1 1 A 48 48 ASN C C 46 175.155 174.600 0.555 1
1 505 . 20 1 1 A 48 48 ASN CA C 46 54.616 54.919 -0.303 1
1 506 . 20 1 1 A 48 48 ASN CB C 46 39.292 40.403 -1.111 1
1 508 . 20 1 1 A 49 49 ARG H H 47 7.926 7.720 0.206 1
1 509 . 20 1 1 A 49 49 ARG HA H 47 4.274 4.569 -0.295 1
1 516 . 20 1 1 A 49 49 ARG C C 47 175.433 173.280 2.153 1
1 517 . 20 1 1 A 49 49 ARG CA C 47 57.252 55.121 2.131 1
1 518 . 20 1 1 A 49 49 ARG CB C 47 32.128 31.511 0.617 1
1 521 . 20 1 1 A 49 49 ARG N N 47 120.086 113.862 6.224 1
1 522 . 20 1 1 A 50 50 GLN H H 48 8.542 8.550 -0.008 1
1 523 . 20 1 1 A 50 50 GLN HA H 48 5.478 4.916 0.562 1
1 528 . 20 1 1 A 50 50 GLN C C 48 175.697 175.407 0.290 1
1 529 . 20 1 1 A 50 50 GLN CA C 48 55.077 54.905 0.172 1
1 530 . 20 1 1 A 50 50 GLN CB C 48 31.751 30.382 1.369 1
1 532 . 20 1 1 A 50 50 GLN N N 48 120.774 120.926 -0.152 1
1 533 . 20 1 1 A 51 51 VAL H H 49 8.710 9.274 -0.564 1
1 534 . 20 1 1 A 51 51 VAL HA H 49 4.781 4.867 -0.086 1
1 542 . 20 1 1 A 51 51 VAL C C 49 175.185 173.583 1.602 1
1 543 . 20 1 1 A 51 51 VAL CA C 49 59.344 59.491 -0.147 1
1 544 . 20 1 1 A 51 51 VAL CB C 49 36.024 34.984 1.040 1
1 547 . 20 1 1 A 51 51 VAL N N 49 117.392 119.755 -2.363 1
1 548 . 20 1 1 A 52 52 CYS H H 50 9.184 8.999 0.185 1
1 549 . 20 1 1 A 52 52 CYS HA H 50 5.313 5.438 -0.125 1
1 552 . 20 1 1 A 52 52 CYS C C 50 174.380 173.478 0.902 1
1 553 . 20 1 1 A 52 52 CYS CA C 50 57.984 54.253 3.731 1
1 554 . 20 1 1 A 52 52 CYS CB C 50 42.661 45.413 -2.752 1
1 555 . 20 1 1 A 52 52 CYS N N 50 124.238 121.006 3.232 1
1 556 . 20 1 1 A 53 53 ILE H H 51 8.434 9.516 -1.082 1
1 557 . 20 1 1 A 53 53 ILE HA H 51 4.928 5.313 -0.385 1
1 567 . 20 1 1 A 53 53 ILE C C 51 172.931 173.328 -0.397 1
1 568 . 20 1 1 A 53 53 ILE CA C 51 58.675 59.109 -0.434 1
1 569 . 20 1 1 A 53 53 ILE CB C 51 42.309 41.926 0.383 1
1 573 . 20 1 1 A 53 53 ILE N N 51 122.034 120.927 1.107 1
1 574 . 20 1 1 A 54 54 ASP H H 52 7.702 8.614 -0.912 1
1 575 . 20 1 1 A 54 54 ASP HA H 52 3.426 4.785 -1.359 1
1 578 . 20 1 1 A 54 54 ASP CA C 52 51.251 50.511 0.740 1
1 579 . 20 1 1 A 54 54 ASP CB C 52 42.515 41.493 1.022 1
1 580 . 20 1 1 A 54 54 ASP N N 52 125.815 123.275 2.540 1
1 581 . 20 1 1 A 55 55 PRO HA H 53 3.986 4.141 -0.155 1
1 588 . 20 1 1 A 55 55 PRO C C 53 176.034 177.835 -1.801 1
1 589 . 20 1 1 A 55 55 PRO CA C 53 63.947 64.402 -0.455 1
1 590 . 20 1 1 A 55 55 PRO CB C 53 33.000 31.892 1.108 1
1 593 . 20 1 1 A 56 56 LYS H H 54 7.889 8.149 -0.260 1
1 594 . 20 1 1 A 56 56 LYS HA H 54 3.993 4.206 -0.213 1
1 603 . 20 1 1 A 56 56 LYS C C 54 177.922 176.677 1.245 1
1 604 . 20 1 1 A 56 56 LYS CA C 54 56.729 56.450 0.279 1
1 605 . 20 1 1 A 56 56 LYS CB C 54 31.751 32.821 -1.070 1
1 609 . 20 1 1 A 56 56 LYS N N 54 112.456 115.977 -3.521 1
1 610 . 20 1 1 A 57 57 LEU H H 55 7.157 6.950 0.207 1
1 611 . 20 1 1 A 57 57 LEU HA H 55 4.040 4.041 -0.001 1
1 621 . 20 1 1 A 57 57 LEU C C 55 179.268 177.417 1.851 1
1 622 . 20 1 1 A 57 57 LEU CA C 55 55.997 55.094 0.903 1
1 623 . 20 1 1 A 57 57 LEU CB C 55 42.309 41.443 0.866 1
1 627 . 20 1 1 A 57 57 LEU N N 55 120.452 121.590 -1.138 1
1 628 . 20 1 1 A 58 58 LYS H H 56 8.731 8.795 -0.064 1
1 629 . 20 1 1 A 58 58 LYS HA H 56 3.913 3.927 -0.014 1
1 638 . 20 1 1 A 58 58 LYS C C 56 178.917 178.204 0.713 1
1 639 . 20 1 1 A 58 58 LYS CA C 56 60.202 59.495 0.707 1
1 640 . 20 1 1 A 58 58 LYS CB C 56 32.253 32.074 0.179 1
1 644 . 20 1 1 A 58 58 LYS N N 56 125.307 125.126 0.181 1
1 645 . 20 1 1 A 59 59 TRP H H 57 7.884 8.252 -0.368 1
1 646 . 20 1 1 A 59 59 TRP HA H 57 4.637 4.657 -0.020 1
1 654 . 20 1 1 A 59 59 TRP C C 57 178.829 179.567 -0.738 1
1 655 . 20 1 1 A 59 59 TRP CA C 57 58.779 59.905 -1.126 1
1 656 . 20 1 1 A 59 59 TRP CB C 57 27.854 28.177 -0.323 1
1 662 . 20 1 1 A 59 59 TRP N N 57 113.503 119.112 -5.609 1
1 663 . 20 1 1 A 60 60 ILE H H 58 6.449 7.477 -1.028 1
1 664 . 20 1 1 A 60 60 ILE HA H 58 3.284 3.215 0.069 1
1 674 . 20 1 1 A 60 60 ILE C C 58 177.687 177.625 0.062 1
1 675 . 20 1 1 A 60 60 ILE CA C 58 64.177 65.001 -0.824 1
1 676 . 20 1 1 A 60 60 ILE CB C 58 35.710 37.490 -1.780 1
1 680 . 20 1 1 A 60 60 ILE N N 58 124.379 122.476 1.903 1
1 681 . 20 1 1 A 61 61 GLN H H 59 7.646 7.918 -0.272 1
1 682 . 20 1 1 A 61 61 GLN HA H 59 3.738 4.043 -0.305 1
1 689 . 20 1 1 A 61 61 GLN C C 59 178.361 178.971 -0.610 1
1 690 . 20 1 1 A 61 61 GLN CA C 59 59.302 59.093 0.209 1
1 691 . 20 1 1 A 61 61 GLN CB C 59 28.357 27.971 0.386 1
1 693 . 20 1 1 A 61 61 GLN N N 59 118.966 117.997 0.969 1
1 695 . 20 1 1 A 62 62 GLU H H 60 8.075 7.805 0.270 1
1 696 . 20 1 1 A 62 62 GLU HA H 60 4.076 4.064 0.012 1
1 701 . 20 1 1 A 62 62 GLU C C 60 179.019 178.568 0.451 1
1 702 . 20 1 1 A 62 62 GLU CA C 60 59.637 59.163 0.474 1
1 703 . 20 1 1 A 62 62 GLU CB C 60 30.368 29.514 0.854 1
1 705 . 20 1 1 A 62 62 GLU N N 60 117.105 121.264 -4.159 1
1 706 . 20 1 1 A 63 63 TYR H H 61 7.922 8.221 -0.299 1
1 707 . 20 1 1 A 63 63 TYR HA H 61 4.237 4.237 0.000 1
1 714 . 20 1 1 A 63 63 TYR C C 61 178.551 177.817 0.734 1
1 715 . 20 1 1 A 63 63 TYR CA C 61 61.206 61.554 -0.348 1
1 716 . 20 1 1 A 63 63 TYR CB C 61 39.669 39.038 0.631 1
1 719 . 20 1 1 A 63 63 TYR N N 61 121.402 122.494 -1.092 1
1 720 . 20 1 1 A 64 64 LEU H H 62 8.227 7.906 0.321 1
1 721 . 20 1 1 A 64 64 LEU HA H 62 3.957 4.154 -0.197 1
1 731 . 20 1 1 A 64 64 LEU C C 62 179.458 178.887 0.571 1
1 732 . 20 1 1 A 64 64 LEU CA C 62 57.880 58.012 -0.132 1
1 733 . 20 1 1 A 64 64 LEU CB C 62 42.434 41.211 1.223 1
1 737 . 20 1 1 A 64 64 LEU N N 62 116.209 119.477 -3.268 1
1 738 . 20 1 1 A 65 65 GLU H H 63 8.472 8.477 -0.005 1
1 739 . 20 1 1 A 65 65 GLU HA H 63 3.827 4.055 -0.228 1
1 744 . 20 1 1 A 65 65 GLU C C 63 179.166 179.266 -0.100 1
1 745 . 20 1 1 A 65 65 GLU CA C 63 60.265 59.256 1.009 1
1 746 . 20 1 1 A 65 65 GLU CB C 63 29.739 29.355 0.384 1
1 748 . 20 1 1 A 65 65 GLU N N 63 118.559 118.807 -0.248 1
1 749 . 20 1 1 A 66 66 LYS H H 64 7.554 8.055 -0.501 1
1 750 . 20 1 1 A 66 66 LYS HA H 64 4.215 4.127 0.088 1
1 759 . 20 1 1 A 66 66 LYS C C 64 178.302 178.176 0.126 1
1 760 . 20 1 1 A 66 66 LYS CA C 64 58.481 58.660 -0.179 1
1 761 . 20 1 1 A 66 66 LYS CB C 64 32.505 32.176 0.329 1
1 765 . 20 1 1 A 66 66 LYS N N 64 117.056 118.589 -1.533 1
1 766 . 20 1 1 A 67 67 CYS H H 65 7.918 7.763 0.155 1
1 767 . 20 1 1 A 67 67 CYS HA H 65 4.532 4.511 0.021 1
1 770 . 20 1 1 A 67 67 CYS C C 65 174.775 175.145 -0.370 1
1 771 . 20 1 1 A 67 67 CYS CA C 65 56.102 61.099 -4.997 1
1 772 . 20 1 1 A 67 67 CYS CB C 65 45.325 28.519 16.806 1
1 773 . 20 1 1 A 67 67 CYS N N 65 115.236 116.018 -0.782 1
1 774 . 20 1 1 A 68 68 LEU H H 66 7.558 7.270 0.288 1
1 775 . 20 1 1 A 68 68 LEU HA H 66 4.520 4.328 0.192 1
1 785 . 20 1 1 A 68 68 LEU C C 66 176.765 177.080 -0.315 1
1 786 . 20 1 1 A 68 68 LEU CA C 66 55.202 55.191 0.011 1
1 787 . 20 1 1 A 68 68 LEU CB C 66 43.314 41.485 1.829 1
1 791 . 20 1 1 A 68 68 LEU N N 66 121.130 121.901 -0.771 1
1 792 . 20 1 1 A 69 69 ASN H H 67 8.306 9.054 -0.748 1
1 793 . 20 1 1 A 69 69 ASN HA H 67 4.639 4.348 0.291 1
1 798 . 20 1 1 A 69 69 ASN C C 67 174.189 174.332 -0.143 1
1 799 . 20 1 1 A 69 69 ASN CA C 67 53.654 54.778 -1.124 1
1 800 . 20 1 1 A 69 69 ASN CB C 67 38.978 37.319 1.659 1
1 801 . 20 1 1 A 69 69 ASN N N 67 120.313 121.693 -1.380 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 58 0.988 1
2 1 1 1 "RMS(OBS, PRED)" CA 61 1.457 1
3 1 1 1 "RMS(OBS, PRED)" CB 61 3.478 1
4 1 1 1 "RMS(OBS, PRED)" H 58 0.490 1
5 1 1 1 "RMS(OBS, PRED)" HA 61 0.372 1
6 1 1 1 "RMS(OBS, PRED)" N 58 2.654 1
7 1 2 1 "RMS(OBS, PRED)" C 58 1.001 1
8 1 2 1 "RMS(OBS, PRED)" CA 61 1.235 1
9 1 2 1 "RMS(OBS, PRED)" CB 61 3.435 1
10 1 2 1 "RMS(OBS, PRED)" H 58 0.519 1
11 1 2 1 "RMS(OBS, PRED)" HA 61 0.351 1
12 1 2 1 "RMS(OBS, PRED)" N 58 2.669 1
13 1 3 1 "RMS(OBS, PRED)" C 58 0.913 1
14 1 3 1 "RMS(OBS, PRED)" CA 61 1.480 1
15 1 3 1 "RMS(OBS, PRED)" CB 61 3.161 1
16 1 3 1 "RMS(OBS, PRED)" H 58 0.511 1
17 1 3 1 "RMS(OBS, PRED)" HA 61 0.397 1
18 1 3 1 "RMS(OBS, PRED)" N 58 3.027 1
19 1 4 1 "RMS(OBS, PRED)" C 58 0.984 1
20 1 4 1 "RMS(OBS, PRED)" CA 61 1.213 1
21 1 4 1 "RMS(OBS, PRED)" CB 61 3.173 1
22 1 4 1 "RMS(OBS, PRED)" H 58 0.496 1
23 1 4 1 "RMS(OBS, PRED)" HA 61 0.370 1
24 1 4 1 "RMS(OBS, PRED)" N 58 2.693 1
25 1 5 1 "RMS(OBS, PRED)" C 58 1.093 1
26 1 5 1 "RMS(OBS, PRED)" CA 61 1.388 1
27 1 5 1 "RMS(OBS, PRED)" CB 61 3.437 1
28 1 5 1 "RMS(OBS, PRED)" H 58 0.513 1
29 1 5 1 "RMS(OBS, PRED)" HA 61 0.382 1
30 1 5 1 "RMS(OBS, PRED)" N 58 2.573 1
31 1 6 1 "RMS(OBS, PRED)" C 58 0.911 1
32 1 6 1 "RMS(OBS, PRED)" CA 61 1.191 1
33 1 6 1 "RMS(OBS, PRED)" CB 61 3.559 1
34 1 6 1 "RMS(OBS, PRED)" H 58 0.550 1
35 1 6 1 "RMS(OBS, PRED)" HA 61 0.310 1
36 1 6 1 "RMS(OBS, PRED)" N 58 2.726 1
37 1 7 1 "RMS(OBS, PRED)" C 58 1.022 1
38 1 7 1 "RMS(OBS, PRED)" CA 61 1.342 1
39 1 7 1 "RMS(OBS, PRED)" CB 61 3.146 1
40 1 7 1 "RMS(OBS, PRED)" H 58 0.521 1
41 1 7 1 "RMS(OBS, PRED)" HA 61 0.359 1
42 1 7 1 "RMS(OBS, PRED)" N 58 2.807 1
43 1 8 1 "RMS(OBS, PRED)" C 58 0.958 1
44 1 8 1 "RMS(OBS, PRED)" CA 61 1.249 1
45 1 8 1 "RMS(OBS, PRED)" CB 61 3.426 1
46 1 8 1 "RMS(OBS, PRED)" H 58 0.500 1
47 1 8 1 "RMS(OBS, PRED)" HA 61 0.349 1
48 1 8 1 "RMS(OBS, PRED)" N 58 2.786 1
49 1 9 1 "RMS(OBS, PRED)" C 58 1.044 1
50 1 9 1 "RMS(OBS, PRED)" CA 61 1.358 1
51 1 9 1 "RMS(OBS, PRED)" CB 61 3.155 1
52 1 9 1 "RMS(OBS, PRED)" H 58 0.488 1
53 1 9 1 "RMS(OBS, PRED)" HA 61 0.388 1
54 1 9 1 "RMS(OBS, PRED)" N 58 2.695 1
55 1 10 1 "RMS(OBS, PRED)" C 58 0.880 1
56 1 10 1 "RMS(OBS, PRED)" CA 61 1.382 1
57 1 10 1 "RMS(OBS, PRED)" CB 61 3.216 1
58 1 10 1 "RMS(OBS, PRED)" H 58 0.475 1
59 1 10 1 "RMS(OBS, PRED)" HA 61 0.373 1
60 1 10 1 "RMS(OBS, PRED)" N 58 2.691 1
61 1 11 1 "RMS(OBS, PRED)" C 58 0.916 1
62 1 11 1 "RMS(OBS, PRED)" CA 61 1.436 1
63 1 11 1 "RMS(OBS, PRED)" CB 61 3.158 1
64 1 11 1 "RMS(OBS, PRED)" H 58 0.510 1
65 1 11 1 "RMS(OBS, PRED)" HA 61 0.363 1
66 1 11 1 "RMS(OBS, PRED)" N 58 2.794 1
67 1 12 1 "RMS(OBS, PRED)" C 58 0.909 1
68 1 12 1 "RMS(OBS, PRED)" CA 61 1.198 1
69 1 12 1 "RMS(OBS, PRED)" CB 61 3.360 1
70 1 12 1 "RMS(OBS, PRED)" H 58 0.526 1
71 1 12 1 "RMS(OBS, PRED)" HA 61 0.334 1
72 1 12 1 "RMS(OBS, PRED)" N 58 2.846 1
73 1 13 1 "RMS(OBS, PRED)" C 58 1.019 1
74 1 13 1 "RMS(OBS, PRED)" CA 61 1.389 1
75 1 13 1 "RMS(OBS, PRED)" CB 61 3.446 1
76 1 13 1 "RMS(OBS, PRED)" H 58 0.466 1
77 1 13 1 "RMS(OBS, PRED)" HA 61 0.388 1
78 1 13 1 "RMS(OBS, PRED)" N 58 2.510 1
79 1 14 1 "RMS(OBS, PRED)" C 58 0.902 1
80 1 14 1 "RMS(OBS, PRED)" CA 61 1.426 1
81 1 14 1 "RMS(OBS, PRED)" CB 61 3.527 1
82 1 14 1 "RMS(OBS, PRED)" H 58 0.494 1
83 1 14 1 "RMS(OBS, PRED)" HA 61 0.391 1
84 1 14 1 "RMS(OBS, PRED)" N 58 2.711 1
85 1 15 1 "RMS(OBS, PRED)" C 58 0.940 1
86 1 15 1 "RMS(OBS, PRED)" CA 61 1.371 1
87 1 15 1 "RMS(OBS, PRED)" CB 61 3.282 1
88 1 15 1 "RMS(OBS, PRED)" H 58 0.507 1
89 1 15 1 "RMS(OBS, PRED)" HA 61 0.354 1
90 1 15 1 "RMS(OBS, PRED)" N 58 2.818 1
91 1 16 1 "RMS(OBS, PRED)" C 58 1.035 1
92 1 16 1 "RMS(OBS, PRED)" CA 61 1.253 1
93 1 16 1 "RMS(OBS, PRED)" CB 61 3.617 1
94 1 16 1 "RMS(OBS, PRED)" H 58 0.520 1
95 1 16 1 "RMS(OBS, PRED)" HA 61 0.403 1
96 1 16 1 "RMS(OBS, PRED)" N 58 2.507 1
97 1 17 1 "RMS(OBS, PRED)" C 58 0.906 1
98 1 17 1 "RMS(OBS, PRED)" CA 61 1.193 1
99 1 17 1 "RMS(OBS, PRED)" CB 61 3.166 1
100 1 17 1 "RMS(OBS, PRED)" H 58 0.516 1
101 1 17 1 "RMS(OBS, PRED)" HA 61 0.364 1
102 1 17 1 "RMS(OBS, PRED)" N 58 2.499 1
103 1 18 1 "RMS(OBS, PRED)" C 58 0.849 1
104 1 18 1 "RMS(OBS, PRED)" CA 61 1.232 1
105 1 18 1 "RMS(OBS, PRED)" CB 61 3.395 1
106 1 18 1 "RMS(OBS, PRED)" H 58 0.538 1
107 1 18 1 "RMS(OBS, PRED)" HA 61 0.321 1
108 1 18 1 "RMS(OBS, PRED)" N 58 2.848 1
109 1 19 1 "RMS(OBS, PRED)" C 58 1.020 1
110 1 19 1 "RMS(OBS, PRED)" CA 61 1.214 1
111 1 19 1 "RMS(OBS, PRED)" CB 61 3.556 1
112 1 19 1 "RMS(OBS, PRED)" H 58 0.502 1
113 1 19 1 "RMS(OBS, PRED)" HA 61 0.362 1
114 1 19 1 "RMS(OBS, PRED)" N 58 2.561 1
115 1 20 1 "RMS(OBS, PRED)" C 58 1.004 1
116 1 20 1 "RMS(OBS, PRED)" CA 61 1.319 1
117 1 20 1 "RMS(OBS, PRED)" CB 61 3.534 1
118 1 20 1 "RMS(OBS, PRED)" H 58 0.477 1
119 1 20 1 "RMS(OBS, PRED)" HA 61 0.342 1
120 1 20 1 "RMS(OBS, PRED)" N 58 2.734 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 3 . 1 1 A 4 4 PRO HA H 2 4.490 4.688 -0.198 2
1 10 . 1 1 A 4 4 PRO C C 2 177.102 176.275 0.827 2
1 11 . 1 1 A 4 4 PRO CA C 2 63.319 62.750 0.569 2
1 12 . 1 1 A 4 4 PRO CB C 2 32.575 31.936 0.639 2
1 15 . 1 1 A 5 5 VAL H H 3 8.259 8.284 -0.025 2
1 16 . 1 1 A 5 5 VAL HA H 3 4.117 4.518 -0.401 2
1 24 . 1 1 A 5 5 VAL C C 3 176.385 174.958 1.427 2
1 25 . 1 1 A 5 5 VAL CA C 3 62.629 60.960 1.669 2
1 26 . 1 1 A 5 5 VAL CB C 3 33.146 33.386 -0.240 2
1 29 . 1 1 A 5 5 VAL N N 3 120.806 119.001 1.805 2
1 30 . 1 1 A 6 6 SER H H 4 8.345 8.515 -0.170 2
1 31 . 1 1 A 6 6 SER HA H 4 4.479 4.804 -0.325 2
1 34 . 1 1 A 6 6 SER C C 4 174.687 173.320 1.367 2
1 35 . 1 1 A 6 6 SER CA C 4 58.340 57.534 0.806 2
1 36 . 1 1 A 6 6 SER CB C 4 64.208 64.083 0.125 2
1 37 . 1 1 A 6 6 SER N N 4 119.332 119.714 -0.382 2
1 38 . 1 1 A 7 7 LEU H H 5 8.334 8.526 -0.192 2
1 39 . 1 1 A 7 7 LEU HA H 5 4.384 4.765 -0.381 2
1 45 . 1 1 A 7 7 LEU C C 5 177.424 175.531 1.893 2
1 46 . 1 1 A 7 7 LEU CA C 5 55.495 54.129 1.366 2
1 47 . 1 1 A 7 7 LEU CB C 5 42.786 43.500 -0.714 2
1 49 . 1 1 A 7 7 LEU N N 5 124.942 125.955 -1.013 2
1 50 . 1 1 A 8 8 SER H H 6 8.198 8.447 -0.250 2
1 51 . 1 1 A 8 8 SER HA H 6 4.407 4.678 -0.271 2
1 54 . 1 1 A 8 8 SER C C 6 174.306 173.924 0.382 2
1 55 . 1 1 A 8 8 SER CA C 6 58.696 57.451 1.245 2
1 56 . 1 1 A 8 8 SER CB C 6 64.136 64.718 -0.582 2
1 57 . 1 1 A 8 8 SER N N 6 116.070 117.658 -1.588 2
1 58 . 1 1 A 9 9 TYR H H 7 8.005 8.459 -0.454 2
1 59 . 1 1 A 9 9 TYR HA H 7 4.547 4.441 0.106 2
1 66 . 1 1 A 9 9 TYR C C 7 175.507 175.429 0.078 2
1 67 . 1 1 A 9 9 TYR CA C 7 58.236 59.969 -1.733 2
1 68 . 1 1 A 9 9 TYR CB C 7 39.144 37.873 1.271 2
1 71 . 1 1 A 9 9 TYR N N 7 122.102 120.010 2.091 2
1 72 . 1 1 A 10 10 ARG H H 8 8.142 7.831 0.311 2
1 73 . 1 1 A 10 10 ARG HA H 8 4.302 4.475 -0.173 2
1 80 . 1 1 A 10 10 ARG C C 8 175.946 175.360 0.586 2
1 81 . 1 1 A 10 10 ARG CA C 8 56.102 55.725 0.377 2
1 82 . 1 1 A 10 10 ARG CB C 8 31.004 31.199 -0.195 2
1 85 . 1 1 A 10 10 ARG N N 8 122.105 120.000 2.105 2
1 86 . 1 1 A 11 11 CYS H H 9 8.185 8.639 -0.454 2
1 87 . 1 1 A 11 11 CYS HA H 9 4.952 5.039 -0.087 2
1 90 . 1 1 A 11 11 CYS CA C 9 53.192 54.471 -1.279 2
1 91 . 1 1 A 11 11 CYS CB C 9 40.250 43.650 -3.400 2
1 92 . 1 1 A 11 11 CYS N N 9 121.511 123.472 -1.961 2
1 93 . 1 1 A 12 12 PRO HA H 10 4.315 4.339 -0.024 2
1 100 . 1 1 A 12 12 PRO C C 10 177.980 176.812 1.168 2
1 101 . 1 1 A 12 12 PRO CA C 10 65.345 65.394 -0.050 2
1 102 . 1 1 A 12 12 PRO CB C 10 32.575 31.360 1.215 2
1 105 . 1 1 A 13 13 CYS H H 11 8.719 8.074 0.645 2
1 106 . 1 1 A 13 13 CYS N N 11 115.047 115.212 -0.165 2
1 107 . 1 1 A 14 14 ARG HA H 12 4.028 4.463 -0.435 2
1 114 . 1 1 A 14 14 ARG C C 12 175.097 175.971 -0.874 2
1 115 . 1 1 A 14 14 ARG CA C 12 57.503 56.864 0.639 2
1 116 . 1 1 A 14 14 ARG CB C 12 31.289 31.786 -0.497 2
1 119 . 1 1 A 15 15 PHE H H 13 7.607 7.897 -0.290 2
1 120 . 1 1 A 15 15 PHE HA H 13 4.497 5.205 -0.708 2
1 127 . 1 1 A 15 15 PHE C C 13 174.292 174.823 -0.531 2
1 128 . 1 1 A 15 15 PHE CA C 13 56.060 56.431 -0.371 2
1 129 . 1 1 A 15 15 PHE CB C 13 41.122 42.134 -1.012 2
1 132 . 1 1 A 15 15 PHE N N 13 116.487 116.751 -0.264 2
1 133 . 1 1 A 16 16 PHE H H 14 8.202 8.999 -0.797 2
1 134 . 1 1 A 16 16 PHE HA H 14 4.793 5.829 -1.036 2
1 141 . 1 1 A 16 16 PHE C C 14 175.433 173.289 2.144 2
1 142 . 1 1 A 16 16 PHE CA C 14 55.516 55.166 0.350 2
1 143 . 1 1 A 16 16 PHE CB C 14 41.096 42.338 -1.242 2
1 146 . 1 1 A 16 16 PHE N N 14 119.591 118.269 1.322 2
1 147 . 1 1 A 17 17 GLU H H 15 8.749 9.481 -0.732 2
1 148 . 1 1 A 17 17 GLU HA H 15 4.579 4.351 0.228 2
1 153 . 1 1 A 17 17 GLU C C 15 176.809 176.976 -0.167 2
1 154 . 1 1 A 17 17 GLU CA C 15 56.395 56.450 -0.055 2
1 155 . 1 1 A 17 17 GLU CB C 15 30.932 30.717 0.215 2
1 157 . 1 1 A 17 17 GLU N N 15 122.719 122.026 0.693 2
1 158 . 1 1 A 18 18 SER H H 16 8.764 8.655 0.109 2
1 159 . 1 1 A 18 18 SER HA H 16 4.697 4.620 0.077 2
1 162 . 1 1 A 18 18 SER CA C 16 59.637 59.494 0.143 2
1 163 . 1 1 A 18 18 SER CB C 16 64.708 63.841 0.867 2
1 164 . 1 1 A 18 18 SER N N 16 118.765 120.513 -1.748 2
1 165 . 1 1 A 19 19 HIS H H 17 8.617 7.821 0.796 2
1 166 . 1 1 A 19 19 HIS HA H 17 4.770 4.869 -0.099 2
1 171 . 1 1 A 19 19 HIS C C 17 174.658 174.143 0.514 2
1 172 . 1 1 A 19 19 HIS CA C 17 56.750 54.778 1.972 2
1 173 . 1 1 A 19 19 HIS CB C 17 29.718 30.306 -0.588 2
1 176 . 1 1 A 19 19 HIS N N 17 119.651 120.817 -1.166 2
1 177 . 1 1 A 20 20 VAL H H 18 7.360 8.149 -0.789 2
1 178 . 1 1 A 20 20 VAL HA H 18 4.100 4.430 -0.330 2
1 186 . 1 1 A 20 20 VAL C C 18 174.424 173.889 0.535 2
1 187 . 1 1 A 20 20 VAL CA C 18 62.252 61.147 1.105 2
1 188 . 1 1 A 20 20 VAL CB C 18 34.146 34.534 -0.388 2
1 191 . 1 1 A 20 20 VAL N N 18 121.352 123.363 -2.011 2
1 192 . 1 1 A 21 21 ALA H H 19 8.570 8.429 0.141 2
1 193 . 1 1 A 21 21 ALA HA H 19 4.345 4.670 -0.325 2
1 197 . 1 1 A 21 21 ALA C C 19 177.570 177.565 0.005 2
1 198 . 1 1 A 21 21 ALA CA C 19 50.997 50.661 0.336 2
1 199 . 1 1 A 21 21 ALA CB C 19 19.579 21.541 -1.962 2
1 200 . 1 1 A 21 21 ALA N N 19 131.401 129.894 1.507 2
1 201 . 1 1 A 22 22 ARG H H 20 7.838 8.025 -0.187 2
1 202 . 1 1 A 22 22 ARG HA H 20 2.545 3.020 -0.475 2
1 209 . 1 1 A 22 22 ARG C C 20 178.258 177.287 0.971 2
1 210 . 1 1 A 22 22 ARG CA C 20 59.407 58.289 1.118 2
1 211 . 1 1 A 22 22 ARG CB C 20 29.433 29.197 0.236 2
1 214 . 1 1 A 22 22 ARG N N 20 124.465 121.852 2.613 2
1 215 . 1 1 A 23 23 ALA H H 21 8.203 7.521 0.682 2
1 216 . 1 1 A 23 23 ALA HA H 21 4.069 4.066 0.003 2
1 220 . 1 1 A 23 23 ALA C C 21 177.995 178.914 -0.919 2
1 221 . 1 1 A 23 23 ALA CA C 21 54.000 53.747 0.253 2
1 222 . 1 1 A 23 23 ALA CB C 21 18.722 18.257 0.465 2
1 223 . 1 1 A 23 23 ALA N N 21 117.242 121.108 -3.866 2
1 224 . 1 1 A 24 24 ASN H H 22 7.739 7.897 -0.158 2
1 225 . 1 1 A 24 24 ASN HA H 22 4.988 4.741 0.247 2
1 230 . 1 1 A 24 24 ASN C C 22 174.848 175.480 -0.632 2
1 231 . 1 1 A 24 24 ASN CA C 22 52.509 54.458 -1.949 2
1 232 . 1 1 A 24 24 ASN CB C 22 40.358 39.465 0.893 2
1 233 . 1 1 A 24 24 ASN N N 22 112.861 115.916 -3.055 2
1 235 . 1 1 A 25 25 VAL H H 23 7.524 7.286 0.238 2
1 236 . 1 1 A 25 25 VAL HA H 23 4.272 4.015 0.257 2
1 244 . 1 1 A 25 25 VAL C C 23 175.755 175.488 0.267 2
1 245 . 1 1 A 25 25 VAL CA C 23 62.859 63.136 -0.277 2
1 246 . 1 1 A 25 25 VAL CB C 23 33.432 32.087 1.345 2
1 249 . 1 1 A 25 25 VAL N N 23 119.883 118.454 1.429 2
1 250 . 1 1 A 26 26 LYS H H 24 9.527 9.276 0.251 2
1 251 . 1 1 A 26 26 LYS HA H 24 4.298 4.376 -0.078 2
1 260 . 1 1 A 26 26 LYS C C 24 176.634 176.680 -0.046 2
1 261 . 1 1 A 26 26 LYS CA C 24 58.989 57.794 1.195 2
1 262 . 1 1 A 26 26 LYS CB C 24 34.390 33.128 1.262 2
1 266 . 1 1 A 26 26 LYS N N 24 128.312 127.064 1.248 2
1 267 . 1 1 A 27 27 HIS H H 25 7.214 7.482 -0.268 2
1 268 . 1 1 A 27 27 HIS HA H 25 4.965 5.159 -0.194 2
1 273 . 1 1 A 27 27 HIS C C 25 172.740 172.659 0.081 2
1 274 . 1 1 A 27 27 HIS CA C 25 55.328 54.799 0.529 2
1 275 . 1 1 A 27 27 HIS CB C 25 32.882 31.429 1.453 2
1 278 . 1 1 A 27 27 HIS N N 25 109.505 113.784 -4.279 2
1 279 . 1 1 A 28 28 LEU H H 26 8.066 8.886 -0.820 2
1 280 . 1 1 A 28 28 LEU HA H 26 5.156 5.561 -0.405 2
1 290 . 1 1 A 28 28 LEU C C 26 175.346 175.343 0.003 2
1 291 . 1 1 A 28 28 LEU CA C 26 53.466 53.285 0.181 2
1 292 . 1 1 A 28 28 LEU CB C 26 45.200 45.105 0.095 2
1 296 . 1 1 A 28 28 LEU N N 26 116.963 120.016 -3.053 2
1 297 . 1 1 A 29 29 LYS H H 27 9.549 9.216 0.333 2
1 298 . 1 1 A 29 29 LYS HA H 27 5.353 5.192 0.161 2
1 307 . 1 1 A 29 29 LYS C C 27 174.716 174.661 0.055 2
1 308 . 1 1 A 29 29 LYS CA C 27 55.118 54.764 0.354 2
1 309 . 1 1 A 29 29 LYS CB C 27 35.144 35.677 -0.533 2
1 313 . 1 1 A 29 29 LYS N N 27 123.299 123.235 0.064 2
1 314 . 1 1 A 30 30 ILE H H 28 9.140 8.997 0.143 2
1 315 . 1 1 A 30 30 ILE HA H 28 4.910 5.087 -0.177 2
1 325 . 1 1 A 30 30 ILE C C 28 176.970 175.034 1.936 2
1 326 . 1 1 A 30 30 ILE CA C 28 60.390 59.536 0.854 2
1 327 . 1 1 A 30 30 ILE CB C 28 39.603 38.394 1.209 2
1 331 . 1 1 A 30 30 ILE N N 28 123.823 127.856 -4.033 2
1 332 . 1 1 A 31 31 LEU H H 29 8.866 9.337 -0.471 2
1 333 . 1 1 A 31 31 LEU HA H 29 4.580 4.602 -0.022 2
1 342 . 1 1 A 31 31 LEU C C 29 175.975 176.115 -0.140 2
1 343 . 1 1 A 31 31 LEU CA C 29 55.474 53.984 1.490 2
1 344 . 1 1 A 31 31 LEU CB C 29 42.749 42.771 -0.022 2
1 347 . 1 1 A 31 31 LEU N N 29 128.835 129.066 -0.231 2
1 348 . 1 1 A 32 32 ASN H H 30 8.211 8.714 -0.503 2
1 349 . 1 1 A 32 32 ASN HA H 30 4.998 4.985 0.013 2
1 354 . 1 1 A 32 32 ASN C C 30 174.658 174.708 -0.050 2
1 355 . 1 1 A 32 32 ASN CA C 30 52.524 52.328 0.196 2
1 356 . 1 1 A 32 32 ASN CB C 30 38.978 39.269 -0.291 2
1 357 . 1 1 A 32 32 ASN N N 30 120.696 122.733 -2.037 2
1 359 . 1 1 A 33 33 THR H H 31 7.925 8.236 -0.311 2
1 360 . 1 1 A 33 33 THR HA H 31 4.784 4.970 -0.186 2
1 365 . 1 1 A 33 33 THR CA C 31 58.046 58.395 -0.349 2
1 366 . 1 1 A 33 33 THR CB C 31 70.341 70.438 -0.097 2
1 368 . 1 1 A 33 33 THR N N 31 116.303 117.410 -1.107 2
1 369 . 1 1 A 34 34 PRO HA H 32 4.300 4.392 -0.092 2
1 376 . 1 1 A 34 34 PRO C C 32 176.765 177.093 -0.327 2
1 377 . 1 1 A 34 34 PRO CA C 32 65.164 65.086 0.078 2
1 378 . 1 1 A 34 34 PRO CB C 32 32.484 31.798 0.686 2
1 381 . 1 1 A 35 35 ASN H H 33 8.294 8.138 0.156 2
1 382 . 1 1 A 35 35 ASN C C 33 174.541 173.996 0.545 2
1 383 . 1 1 A 35 35 ASN N N 33 120.212 114.016 6.196 2
1 384 . 1 1 A 36 36 CYS H H 34 7.561 7.977 -0.416 2
1 385 . 1 1 A 36 36 CYS HA H 34 4.884 5.022 -0.139 2
1 388 . 1 1 A 36 36 CYS C C 34 173.838 172.765 1.073 2
1 389 . 1 1 A 36 36 CYS CA C 34 55.139 54.946 0.193 2
1 390 . 1 1 A 36 36 CYS CB C 34 45.200 46.526 -1.326 2
1 391 . 1 1 A 36 36 CYS N N 34 116.986 119.689 -2.703 2
1 392 . 1 1 A 37 37 ALA H H 35 8.520 8.550 -0.030 2
1 393 . 1 1 A 37 37 ALA HA H 35 4.233 4.386 -0.153 2
1 397 . 1 1 A 37 37 ALA C C 35 176.326 177.228 -0.902 2
1 398 . 1 1 A 37 37 ALA CA C 35 53.152 52.571 0.581 2
1 399 . 1 1 A 37 37 ALA CB C 35 18.930 19.466 -0.536 2
1 400 . 1 1 A 37 37 ALA N N 35 125.167 125.124 0.043 2
1 401 . 1 1 A 38 38 CYS H H 36 8.343 8.103 0.240 2
1 402 . 1 1 A 38 38 CYS HA H 36 4.213 4.425 -0.212 2
1 405 . 1 1 A 38 38 CYS C C 36 173.589 173.318 0.271 2
1 406 . 1 1 A 38 38 CYS CA C 36 58.487 58.971 -0.484 2
1 407 . 1 1 A 38 38 CYS CB C 36 45.702 28.493 17.209 2
1 408 . 1 1 A 38 38 CYS N N 36 118.786 117.450 1.336 2
1 409 . 1 1 A 39 39 GLN H H 37 8.988 8.840 0.148 2
1 410 . 1 1 A 39 39 GLN HA H 37 4.573 4.874 -0.301 2
1 417 . 1 1 A 39 39 GLN C C 37 173.545 174.747 -1.202 2
1 418 . 1 1 A 39 39 GLN CA C 37 54.491 54.939 -0.448 2
1 419 . 1 1 A 39 39 GLN CB C 37 31.876 30.286 1.590 2
1 421 . 1 1 A 39 39 GLN N N 37 128.825 126.168 2.657 2
1 423 . 1 1 A 40 40 ILE H H 38 8.967 8.956 0.011 2
1 424 . 1 1 A 40 40 ILE HA H 38 5.095 5.122 -0.027 2
1 434 . 1 1 A 40 40 ILE C C 38 174.336 174.650 -0.314 2
1 435 . 1 1 A 40 40 ILE CA C 38 60.620 59.953 0.667 2
1 436 . 1 1 A 40 40 ILE CB C 38 40.235 40.585 -0.350 2
1 440 . 1 1 A 40 40 ILE N N 38 124.006 125.028 -1.022 2
1 441 . 1 1 A 41 41 VAL H H 39 9.130 9.373 -0.243 2
1 442 . 1 1 A 41 41 VAL HA H 39 4.926 4.848 0.078 2
1 450 . 1 1 A 41 41 VAL C C 39 175.492 174.442 1.050 2
1 451 . 1 1 A 41 41 VAL CA C 39 59.993 60.981 -0.988 2
1 452 . 1 1 A 41 41 VAL CB C 39 35.270 34.181 1.089 2
1 455 . 1 1 A 41 41 VAL N N 39 125.973 127.864 -1.891 2
1 456 . 1 1 A 42 42 ALA H H 40 9.558 9.244 0.314 2
1 457 . 1 1 A 42 42 ALA HA H 40 5.123 5.293 -0.170 2
1 461 . 1 1 A 42 42 ALA C C 40 175.931 175.235 0.696 2
1 462 . 1 1 A 42 42 ALA CA C 40 50.558 50.034 0.524 2
1 463 . 1 1 A 42 42 ALA CB C 40 22.072 21.482 0.590 2
1 464 . 1 1 A 42 42 ALA N N 40 128.264 129.142 -0.878 2
1 465 . 1 1 A 43 43 ARG H H 41 7.707 8.569 -0.862 2
1 466 . 1 1 A 43 43 ARG HA H 41 4.966 4.845 0.121 2
1 473 . 1 1 A 43 43 ARG C C 41 175.477 175.039 0.438 2
1 474 . 1 1 A 43 43 ARG CA C 41 54.000 54.619 -0.619 2
1 475 . 1 1 A 43 43 ARG CB C 41 31.122 32.344 -1.222 2
1 478 . 1 1 A 43 43 ARG N N 41 121.647 123.582 -1.935 2
1 479 . 1 1 A 44 44 LEU H H 42 9.183 8.764 0.419 2
1 480 . 1 1 A 44 44 LEU HA H 42 5.009 4.870 0.139 2
1 490 . 1 1 A 44 44 LEU C C 42 177.848 177.090 0.758 2
1 491 . 1 1 A 44 44 LEU CA C 42 54.596 53.743 0.853 2
1 492 . 1 1 A 44 44 LEU CB C 42 41.806 43.013 -1.207 2
1 496 . 1 1 A 44 44 LEU N N 42 128.821 127.837 0.984 2
1 497 . 1 1 A 45 45 LYS H H 43 8.449 8.645 -0.196 2
1 498 . 1 1 A 45 45 LYS N N 43 119.659 121.213 -1.554 2
1 499 . 1 1 A 48 48 ASN HA H 46 4.716 5.012 -0.296 2
1 504 . 1 1 A 48 48 ASN C C 46 175.155 174.780 0.375 2
1 505 . 1 1 A 48 48 ASN CA C 46 54.616 52.132 2.484 2
1 506 . 1 1 A 48 48 ASN CB C 46 39.292 40.718 -1.426 2
1 508 . 1 1 A 49 49 ARG H H 47 7.926 8.384 -0.458 2
1 509 . 1 1 A 49 49 ARG HA H 47 4.274 4.628 -0.354 2
1 516 . 1 1 A 49 49 ARG C C 47 175.433 174.664 0.769 2
1 517 . 1 1 A 49 49 ARG CA C 47 57.252 55.247 2.005 2
1 518 . 1 1 A 49 49 ARG CB C 47 32.128 31.454 0.674 2
1 521 . 1 1 A 49 49 ARG N N 47 120.086 118.132 1.954 2
1 522 . 1 1 A 50 50 GLN H H 48 8.542 8.513 0.029 2
1 523 . 1 1 A 50 50 GLN HA H 48 5.478 4.996 0.482 2
1 528 . 1 1 A 50 50 GLN C C 48 175.697 175.331 0.366 2
1 529 . 1 1 A 50 50 GLN CA C 48 55.077 54.865 0.212 2
1 530 . 1 1 A 50 50 GLN CB C 48 31.751 30.574 1.177 2
1 532 . 1 1 A 50 50 GLN N N 48 120.774 120.339 0.435 2
1 533 . 1 1 A 51 51 VAL H H 49 8.710 9.183 -0.473 2
1 534 . 1 1 A 51 51 VAL HA H 49 4.781 4.856 -0.075 2
1 542 . 1 1 A 51 51 VAL C C 49 175.185 173.600 1.585 2
1 543 . 1 1 A 51 51 VAL CA C 49 59.344 59.046 0.298 2
1 544 . 1 1 A 51 51 VAL CB C 49 36.024 35.485 0.539 2
1 547 . 1 1 A 51 51 VAL N N 49 117.392 118.704 -1.312 2
1 548 . 1 1 A 52 52 CYS H H 50 9.184 8.901 0.283 2
1 549 . 1 1 A 52 52 CYS HA H 50 5.313 5.384 -0.071 2
1 552 . 1 1 A 52 52 CYS C C 50 174.380 173.473 0.907 2
1 553 . 1 1 A 52 52 CYS CA C 50 57.984 54.260 3.724 2
1 554 . 1 1 A 52 52 CYS CB C 50 42.661 45.115 -2.454 2
1 555 . 1 1 A 52 52 CYS N N 50 124.238 120.762 3.476 2
1 556 . 1 1 A 53 53 ILE H H 51 8.434 9.466 -1.032 2
1 557 . 1 1 A 53 53 ILE HA H 51 4.928 5.298 -0.370 2
1 567 . 1 1 A 53 53 ILE C C 51 172.931 173.403 -0.472 2
1 568 . 1 1 A 53 53 ILE CA C 51 58.675 59.070 -0.395 2
1 569 . 1 1 A 53 53 ILE CB C 51 42.309 41.741 0.568 2
1 573 . 1 1 A 53 53 ILE N N 51 122.034 120.964 1.070 2
1 574 . 1 1 A 54 54 ASP H H 52 7.702 8.656 -0.954 2
1 575 . 1 1 A 54 54 ASP HA H 52 3.426 4.874 -1.448 2
1 578 . 1 1 A 54 54 ASP CA C 52 51.251 50.392 0.859 2
1 579 . 1 1 A 54 54 ASP CB C 52 42.515 42.487 0.028 2
1 580 . 1 1 A 54 54 ASP N N 52 125.815 122.327 3.488 2
1 581 . 1 1 A 55 55 PRO HA H 53 3.986 4.162 -0.176 2
1 588 . 1 1 A 55 55 PRO C C 53 176.034 177.781 -1.747 2
1 589 . 1 1 A 55 55 PRO CA C 53 63.947 64.197 -0.250 2
1 590 . 1 1 A 55 55 PRO CB C 53 33.000 31.765 1.235 2
1 593 . 1 1 A 56 56 LYS H H 54 7.889 8.313 -0.424 2
1 594 . 1 1 A 56 56 LYS HA H 54 3.993 4.080 -0.087 2
1 603 . 1 1 A 56 56 LYS C C 54 177.922 176.971 0.951 2
1 604 . 1 1 A 56 56 LYS CA C 54 56.729 57.718 -0.989 2
1 605 . 1 1 A 56 56 LYS CB C 54 31.751 32.215 -0.464 2
1 609 . 1 1 A 56 56 LYS N N 54 112.456 117.049 -4.593 2
1 610 . 1 1 A 57 57 LEU H H 55 7.157 7.117 0.040 2
1 611 . 1 1 A 57 57 LEU HA H 55 4.040 4.108 -0.068 2
1 621 . 1 1 A 57 57 LEU C C 55 179.268 177.330 1.938 2
1 622 . 1 1 A 57 57 LEU CA C 55 55.997 55.306 0.691 2
1 623 . 1 1 A 57 57 LEU CB C 55 42.309 41.613 0.696 2
1 627 . 1 1 A 57 57 LEU N N 55 120.452 121.114 -0.662 2
1 628 . 1 1 A 58 58 LYS H H 56 8.731 8.826 -0.095 2
1 629 . 1 1 A 58 58 LYS HA H 56 3.913 3.895 0.018 2
1 638 . 1 1 A 58 58 LYS C C 56 178.917 178.351 0.566 2
1 639 . 1 1 A 58 58 LYS CA C 56 60.202 59.322 0.880 2
1 640 . 1 1 A 58 58 LYS CB C 56 32.253 32.172 0.081 2
1 644 . 1 1 A 58 58 LYS N N 56 125.307 125.734 -0.427 2
1 645 . 1 1 A 59 59 TRP H H 57 7.884 8.230 -0.347 2
1 646 . 1 1 A 59 59 TRP HA H 57 4.637 4.744 -0.107 2
1 654 . 1 1 A 59 59 TRP C C 57 178.829 179.498 -0.669 2
1 655 . 1 1 A 59 59 TRP CA C 57 58.779 59.920 -1.141 2
1 656 . 1 1 A 59 59 TRP CB C 57 27.854 28.084 -0.230 2
1 662 . 1 1 A 59 59 TRP N N 57 113.503 119.230 -5.727 2
1 663 . 1 1 A 60 60 ILE H H 58 6.449 7.423 -0.974 2
1 664 . 1 1 A 60 60 ILE HA H 58 3.284 3.166 0.118 2
1 674 . 1 1 A 60 60 ILE C C 58 177.687 177.725 -0.038 2
1 675 . 1 1 A 60 60 ILE CA C 58 64.177 64.940 -0.763 2
1 676 . 1 1 A 60 60 ILE CB C 58 35.710 37.385 -1.675 2
1 680 . 1 1 A 60 60 ILE N N 58 124.379 122.410 1.969 2
1 681 . 1 1 A 61 61 GLN H H 59 7.646 7.702 -0.056 2
1 682 . 1 1 A 61 61 GLN HA H 59 3.738 4.016 -0.278 2
1 689 . 1 1 A 61 61 GLN C C 59 178.361 179.021 -0.660 2
1 690 . 1 1 A 61 61 GLN CA C 59 59.302 59.068 0.234 2
1 691 . 1 1 A 61 61 GLN CB C 59 28.357 28.001 0.356 2
1 693 . 1 1 A 61 61 GLN N N 59 118.966 118.208 0.758 2
1 695 . 1 1 A 62 62 GLU H H 60 8.075 7.824 0.251 2
1 696 . 1 1 A 62 62 GLU HA H 60 4.076 4.121 -0.045 2
1 701 . 1 1 A 62 62 GLU C C 60 179.019 178.512 0.507 2
1 702 . 1 1 A 62 62 GLU CA C 60 59.637 58.950 0.687 2
1 703 . 1 1 A 62 62 GLU CB C 60 30.368 29.566 0.802 2
1 705 . 1 1 A 62 62 GLU N N 60 117.105 121.043 -3.938 2
1 706 . 1 1 A 63 63 TYR H H 61 7.922 8.062 -0.140 2
1 707 . 1 1 A 63 63 TYR HA H 61 4.237 4.311 -0.074 2
1 714 . 1 1 A 63 63 TYR C C 61 178.551 177.881 0.670 2
1 715 . 1 1 A 63 63 TYR CA C 61 61.206 61.541 -0.335 2
1 716 . 1 1 A 63 63 TYR CB C 61 39.669 38.963 0.706 2
1 719 . 1 1 A 63 63 TYR N N 61 121.402 122.721 -1.319 2
1 720 . 1 1 A 64 64 LEU H H 62 8.227 7.902 0.325 2
1 721 . 1 1 A 64 64 LEU HA H 62 3.957 4.158 -0.201 2
1 731 . 1 1 A 64 64 LEU C C 62 179.458 178.966 0.492 2
1 732 . 1 1 A 64 64 LEU CA C 62 57.880 58.099 -0.219 2
1 733 . 1 1 A 64 64 LEU CB C 62 42.434 41.183 1.251 2
1 737 . 1 1 A 64 64 LEU N N 62 116.209 119.340 -3.130 2
1 738 . 1 1 A 65 65 GLU H H 63 8.472 8.395 0.078 2
1 739 . 1 1 A 65 65 GLU HA H 63 3.827 4.057 -0.230 2
1 744 . 1 1 A 65 65 GLU C C 63 179.166 178.838 0.328 2
1 745 . 1 1 A 65 65 GLU CA C 63 60.265 59.469 0.796 2
1 746 . 1 1 A 65 65 GLU CB C 63 29.739 29.272 0.467 2
1 748 . 1 1 A 65 65 GLU N N 63 118.559 119.128 -0.569 2
1 749 . 1 1 A 66 66 LYS H H 64 7.554 7.790 -0.236 2
1 750 . 1 1 A 66 66 LYS HA H 64 4.215 4.222 -0.007 2
1 759 . 1 1 A 66 66 LYS C C 64 178.302 177.706 0.596 2
1 760 . 1 1 A 66 66 LYS CA C 64 58.481 58.171 0.310 2
1 761 . 1 1 A 66 66 LYS CB C 64 32.505 32.264 0.241 2
1 765 . 1 1 A 66 66 LYS N N 64 117.056 118.244 -1.188 2
1 766 . 1 1 A 67 67 CYS H H 65 7.918 7.869 0.049 2
1 767 . 1 1 A 67 67 CYS HA H 65 4.532 4.567 -0.035 2
1 770 . 1 1 A 67 67 CYS C C 65 174.775 174.688 0.087 2
1 771 . 1 1 A 67 67 CYS CA C 65 56.102 60.005 -3.903 2
1 772 . 1 1 A 67 67 CYS CB C 65 45.325 28.522 16.803 2
1 773 . 1 1 A 67 67 CYS N N 65 115.236 116.448 -1.212 2
1 774 . 1 1 A 68 68 LEU H H 66 7.558 7.371 0.187 2
1 775 . 1 1 A 68 68 LEU HA H 66 4.520 4.383 0.138 2
1 785 . 1 1 A 68 68 LEU C C 66 176.765 176.980 -0.215 2
1 786 . 1 1 A 68 68 LEU CA C 66 55.202 54.815 0.387 2
1 787 . 1 1 A 68 68 LEU CB C 66 43.314 41.632 1.682 2
1 791 . 1 1 A 68 68 LEU N N 66 121.130 121.909 -0.779 2
1 792 . 1 1 A 69 69 ASN H H 67 8.306 9.272 -0.966 2
1 793 . 1 1 A 69 69 ASN HA H 67 4.639 4.356 0.283 2
1 798 . 1 1 A 69 69 ASN C C 67 174.189 174.521 -0.332 2
1 799 . 1 1 A 69 69 ASN CA C 67 53.654 54.866 -1.212 2
1 800 . 1 1 A 69 69 ASN CB C 67 38.978 36.885 2.093 2
1 801 . 1 1 A 69 69 ASN N N 67 120.313 122.132 -1.819 2
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