data_15843_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15843
_Entry.PDB_ID 2K5N
_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 1 . 1 1 1 A 2 2 ALA HA H 2 3.908 4.856 -0.948 1
1 5 . 1 1 1 A 2 2 ALA C C 2 174.665 176.702 -2.037 1
1 6 . 1 1 1 A 2 2 ALA CA C 2 51.696 52.968 -1.272 1
1 7 . 1 1 1 A 2 2 ALA CB C 2 19.380 18.115 1.265 1
1 8 . 1 1 1 A 3 3 MET H H 3 8.516 8.396 0.120 1
1 9 . 1 1 1 A 3 3 MET HA H 3 4.349 5.056 -0.707 1
1 17 . 1 1 1 A 3 3 MET C C 3 173.119 174.027 -0.908 1
1 18 . 1 1 1 A 3 3 MET CA C 3 54.457 53.941 0.516 1
1 19 . 1 1 1 A 3 3 MET CB C 3 37.020 36.201 0.819 1
1 22 . 1 1 1 A 3 3 MET N N 3 118.958 121.458 -2.500 1
1 23 . 1 1 1 A 4 4 ASN H H 4 8.627 8.722 -0.095 1
1 24 . 1 1 1 A 4 4 ASN HA H 4 5.470 5.601 -0.131 1
1 29 . 1 1 1 A 4 4 ASN C C 4 175.782 174.966 0.816 1
1 30 . 1 1 1 A 4 4 ASN CA C 4 52.043 51.755 0.288 1
1 31 . 1 1 1 A 4 4 ASN CB C 4 41.102 39.939 1.163 1
1 32 . 1 1 1 A 4 4 ASN N N 4 116.608 117.582 -0.974 1
1 34 . 1 1 1 A 5 5 GLY H H 5 8.444 8.990 -0.546 1
1 35 . 1 1 1 A 5 5 GLY HA2 H 5 4.652 4.485 0.167 1
1 36 . 1 1 1 A 5 5 GLY HA3 H 5 3.710 4.702 -0.992 1
1 37 . 1 1 1 A 5 5 GLY C C 5 171.487 171.778 -0.291 1
1 38 . 1 1 1 A 5 5 GLY CA C 5 46.682 44.407 2.275 1
1 39 . 1 1 1 A 5 5 GLY N N 5 104.747 110.427 -5.680 1
1 40 . 1 1 1 A 6 6 THR H H 6 8.303 9.607 -1.304 1
1 41 . 1 1 1 A 6 6 THR HA H 6 5.193 5.228 -0.035 1
1 46 . 1 1 1 A 6 6 THR C C 6 173.634 174.259 -0.625 1
1 47 . 1 1 1 A 6 6 THR CA C 6 60.367 61.312 -0.945 1
1 48 . 1 1 1 A 6 6 THR CB C 6 72.071 70.716 1.355 1
1 50 . 1 1 1 A 6 6 THR N N 6 114.893 115.220 -0.327 1
1 51 . 1 1 1 A 7 7 ILE H H 7 8.887 8.885 0.002 1
1 52 . 1 1 1 A 7 7 ILE HA H 7 4.189 4.011 0.178 1
1 62 . 1 1 1 A 7 7 ILE C C 7 175.782 176.743 -0.961 1
1 63 . 1 1 1 A 7 7 ILE CA C 7 62.394 61.682 0.712 1
1 64 . 1 1 1 A 7 7 ILE CB C 7 37.461 36.702 0.759 1
1 68 . 1 1 1 A 7 7 ILE N N 7 125.014 126.939 -1.925 1
1 69 . 1 1 1 A 8 8 THR H H 8 8.968 8.506 0.462 1
1 70 . 1 1 1 A 8 8 THR HA H 8 4.583 4.504 0.079 1
1 75 . 1 1 1 A 8 8 THR C C 8 175.352 174.775 0.577 1
1 76 . 1 1 1 A 8 8 THR CA C 8 62.547 62.502 0.045 1
1 77 . 1 1 1 A 8 8 THR CB C 8 69.324 69.812 -0.488 1
1 79 . 1 1 1 A 8 8 THR N N 8 123.264 118.893 4.371 1
1 80 . 1 1 1 A 9 9 THR H H 9 7.744 7.843 -0.099 1
1 81 . 1 1 1 A 9 9 THR HA H 9 4.408 4.803 -0.395 1
1 86 . 1 1 1 A 9 9 THR C C 9 171.759 173.465 -1.706 1
1 87 . 1 1 1 A 9 9 THR CA C 9 61.370 61.947 -0.577 1
1 88 . 1 1 1 A 9 9 THR CB C 9 72.472 70.355 2.117 1
1 90 . 1 1 1 A 9 9 THR N N 9 116.608 115.237 1.371 1
1 91 . 1 1 1 A 10 10 TRP H H 10 8.620 8.425 0.195 1
1 92 . 1 1 1 A 10 10 TRP HA H 10 4.844 4.910 -0.066 1
1 101 . 1 1 1 A 10 10 TRP C C 10 172.833 174.076 -1.243 1
1 102 . 1 1 1 A 10 10 TRP CA C 10 55.471 57.116 -1.645 1
1 103 . 1 1 1 A 10 10 TRP CB C 10 32.843 32.498 0.345 1
1 109 . 1 1 1 A 10 10 TRP N N 10 126.095 126.538 -0.443 1
1 111 . 1 1 1 A 11 11 PHE H H 11 7.892 8.789 -0.897 1
1 112 . 1 1 1 A 11 11 PHE HA H 11 4.508 4.632 -0.124 1
1 120 . 1 1 1 A 11 11 PHE C C 11 174.493 175.241 -0.748 1
1 121 . 1 1 1 A 11 11 PHE CA C 11 54.001 55.691 -1.690 1
1 122 . 1 1 1 A 11 11 PHE CB C 11 36.906 38.783 -1.877 1
1 126 . 1 1 1 A 11 11 PHE N N 11 127.953 126.220 1.733 1
1 127 . 1 1 1 A 12 12 LYS H H 12 7.844 8.366 -0.522 1
1 128 . 1 1 1 A 12 12 LYS HA H 12 2.844 3.583 -0.739 1
1 137 . 1 1 1 A 12 12 LYS C C 12 177.701 177.209 0.492 1
1 138 . 1 1 1 A 12 12 LYS CA C 12 59.164 59.260 -0.096 1
1 139 . 1 1 1 A 12 12 LYS CB C 12 32.427 32.038 0.389 1
1 143 . 1 1 1 A 12 12 LYS N N 12 125.042 125.722 -0.680 1
1 144 . 1 1 1 A 13 13 ASP H H 13 8.638 8.007 0.631 1
1 145 . 1 1 1 A 13 13 ASP HA H 13 4.281 4.288 -0.007 1
1 148 . 1 1 1 A 13 13 ASP C C 13 176.827 177.780 -0.953 1
1 149 . 1 1 1 A 13 13 ASP CA C 13 55.401 57.580 -2.179 1
1 150 . 1 1 1 A 13 13 ASP CB C 13 39.349 41.850 -2.501 1
1 151 . 1 1 1 A 13 13 ASP N N 13 114.668 119.222 -4.554 1
1 152 . 1 1 1 A 14 14 LYS H H 14 6.965 7.474 -0.509 1
1 153 . 1 1 1 A 14 14 LYS HA H 14 4.425 4.153 0.272 1
1 162 . 1 1 1 A 14 14 LYS C C 14 176.913 176.636 0.277 1
1 163 . 1 1 1 A 14 14 LYS CA C 14 55.288 56.955 -1.667 1
1 164 . 1 1 1 A 14 14 LYS CB C 14 34.562 33.076 1.486 1
1 168 . 1 1 1 A 14 14 LYS N N 14 116.507 115.419 1.088 1
1 169 . 1 1 1 A 15 15 GLY H H 15 7.619 8.187 -0.568 1
1 170 . 1 1 1 A 15 15 GLY HA2 H 15 3.875 3.615 0.260 1
1 171 . 1 1 1 A 15 15 GLY HA3 H 15 3.499 3.838 -0.339 1
1 172 . 1 1 1 A 15 15 GLY C C 15 171.358 173.309 -1.951 1
1 173 . 1 1 1 A 15 15 GLY CA C 15 46.020 45.181 0.839 1
1 174 . 1 1 1 A 15 15 GLY N N 15 107.093 106.386 0.707 1
1 175 . 1 1 1 A 16 16 PHE H H 16 6.663 6.302 0.361 1
1 176 . 1 1 1 A 16 16 PHE HA H 16 4.866 5.178 -0.312 1
1 183 . 1 1 1 A 16 16 PHE C C 16 171.472 173.462 -1.990 1
1 184 . 1 1 1 A 16 16 PHE CA C 16 54.765 54.867 -0.102 1
1 185 . 1 1 1 A 16 16 PHE CB C 16 41.805 41.732 0.073 1
1 188 . 1 1 1 A 16 16 PHE N N 16 112.369 114.135 -1.766 1
1 189 . 1 1 1 A 17 17 GLY H H 17 7.436 8.102 -0.666 1
1 190 . 1 1 1 A 17 17 GLY HA2 H 17 3.951 4.312 -0.361 1
1 191 . 1 1 1 A 17 17 GLY HA3 H 17 3.399 4.426 -1.027 1
1 192 . 1 1 1 A 17 17 GLY C C 17 169.926 171.324 -1.398 1
1 193 . 1 1 1 A 17 17 GLY CA C 17 45.073 46.265 -1.192 1
1 194 . 1 1 1 A 17 17 GLY N N 17 105.719 106.424 -0.705 1
1 195 . 1 1 1 A 18 18 PHE H H 18 8.505 9.216 -0.711 1
1 196 . 1 1 1 A 18 18 PHE HA H 18 5.728 5.851 -0.123 1
1 204 . 1 1 1 A 18 18 PHE C C 18 175.023 174.810 0.213 1
1 205 . 1 1 1 A 18 18 PHE CA C 18 56.493 56.263 0.230 1
1 206 . 1 1 1 A 18 18 PHE CB C 18 43.783 42.902 0.881 1
1 210 . 1 1 1 A 18 18 PHE N N 18 113.767 118.842 -5.075 1
1 211 . 1 1 1 A 19 19 ILE H H 19 9.615 8.843 0.772 1
1 212 . 1 1 1 A 19 19 ILE HA H 19 4.679 4.795 -0.116 1
1 222 . 1 1 1 A 19 19 ILE C C 19 174.894 173.894 1.000 1
1 223 . 1 1 1 A 19 19 ILE CA C 19 58.585 59.881 -1.296 1
1 224 . 1 1 1 A 19 19 ILE CB C 19 43.854 40.199 3.655 1
1 228 . 1 1 1 A 19 19 ILE N N 19 122.746 123.059 -0.313 1
1 229 . 1 1 1 A 20 20 LYS H H 20 8.971 8.692 0.279 1
1 230 . 1 1 1 A 20 20 LYS HA H 20 5.241 5.413 -0.172 1
1 239 . 1 1 1 A 20 20 LYS C C 20 177.413 176.070 1.343 1
1 240 . 1 1 1 A 20 20 LYS CA C 20 54.622 54.663 -0.041 1
1 241 . 1 1 1 A 20 20 LYS CB C 20 33.070 35.708 -2.638 1
1 245 . 1 1 1 A 20 20 LYS N N 20 127.450 128.009 -0.559 1
1 246 . 1 1 1 A 21 21 ASP H H 21 9.363 8.292 1.071 1
1 247 . 1 1 1 A 21 21 ASP HA H 21 5.241 5.016 0.225 1
1 250 . 1 1 1 A 21 21 ASP C C 21 178.431 176.686 1.745 1
1 251 . 1 1 1 A 21 21 ASP CA C 21 52.981 52.347 0.634 1
1 252 . 1 1 1 A 21 21 ASP CB C 21 44.583 41.670 2.913 1
1 253 . 1 1 1 A 21 21 ASP N N 21 129.797 125.492 4.305 1
1 254 . 1 1 1 A 22 22 GLU H H 22 8.127 8.790 -0.663 1
1 255 . 1 1 1 A 22 22 GLU HA H 22 4.264 4.439 -0.175 1
1 260 . 1 1 1 A 22 22 GLU C C 22 176.226 177.684 -1.458 1
1 261 . 1 1 1 A 22 22 GLU CA C 22 57.515 57.047 0.468 1
1 262 . 1 1 1 A 22 22 GLU CB C 22 29.830 30.169 -0.339 1
1 264 . 1 1 1 A 22 22 GLU N N 22 115.545 119.187 -3.642 1
1 265 . 1 1 1 A 23 23 ASN H H 23 8.606 8.259 0.347 1
1 266 . 1 1 1 A 23 23 ASN HA H 23 4.963 4.842 0.121 1
1 271 . 1 1 1 A 23 23 ASN C C 23 175.582 177.078 -1.496 1
1 272 . 1 1 1 A 23 23 ASN CA C 23 52.968 55.019 -2.051 1
1 273 . 1 1 1 A 23 23 ASN CB C 23 39.172 39.692 -0.520 1
1 274 . 1 1 1 A 23 23 ASN N N 23 118.707 118.526 0.181 1
1 276 . 1 1 1 A 24 24 GLY H H 24 8.451 8.485 -0.034 1
1 277 . 1 1 1 A 24 24 GLY HA2 H 24 4.323 4.027 0.296 1
1 278 . 1 1 1 A 24 24 GLY HA3 H 24 3.484 4.050 -0.566 1
1 279 . 1 1 1 A 24 24 GLY C C 24 174.121 173.444 0.677 1
1 280 . 1 1 1 A 24 24 GLY CA C 24 44.816 45.041 -0.225 1
1 281 . 1 1 1 A 24 24 GLY N N 24 108.999 107.484 1.515 1
1 282 . 1 1 1 A 25 25 ASP H H 25 8.326 7.530 0.796 1
1 283 . 1 1 1 A 25 25 ASP HA H 25 4.792 4.909 -0.117 1
1 286 . 1 1 1 A 25 25 ASP C C 25 173.047 174.606 -1.559 1
1 287 . 1 1 1 A 25 25 ASP CA C 25 54.677 52.959 1.718 1
1 288 . 1 1 1 A 25 25 ASP CB C 25 41.577 43.666 -2.089 1
1 289 . 1 1 1 A 25 25 ASP N N 25 121.814 118.830 2.984 1
1 290 . 1 1 1 A 26 26 ASN H H 26 8.503 8.620 -0.117 1
1 291 . 1 1 1 A 26 26 ASN HA H 26 5.607 5.350 0.257 1
1 296 . 1 1 1 A 26 26 ASN C C 26 175.496 175.700 -0.204 1
1 297 . 1 1 1 A 26 26 ASN CA C 26 52.290 53.542 -1.252 1
1 298 . 1 1 1 A 26 26 ASN CB C 26 40.017 39.129 0.888 1
1 299 . 1 1 1 A 26 26 ASN N N 26 119.224 119.309 -0.085 1
1 301 . 1 1 1 A 27 27 ARG H H 27 9.884 9.051 0.833 1
1 302 . 1 1 1 A 27 27 ARG HA H 27 4.720 4.998 -0.278 1
1 309 . 1 1 1 A 27 27 ARG C C 27 174.665 174.940 -0.275 1
1 310 . 1 1 1 A 27 27 ARG CA C 27 54.314 54.299 0.015 1
1 311 . 1 1 1 A 27 27 ARG CB C 27 33.562 33.579 -0.017 1
1 314 . 1 1 1 A 27 27 ARG N N 27 122.242 123.120 -0.878 1
1 315 . 1 1 1 A 28 28 TYR H H 28 8.314 9.446 -1.132 1
1 316 . 1 1 1 A 28 28 TYR HA H 28 4.365 4.786 -0.421 1
1 323 . 1 1 1 A 28 28 TYR C C 28 174.765 174.424 0.341 1
1 324 . 1 1 1 A 28 28 TYR CA C 28 58.102 58.081 0.021 1
1 325 . 1 1 1 A 28 28 TYR CB C 28 39.606 38.980 0.626 1
1 328 . 1 1 1 A 28 28 TYR N N 28 126.908 123.730 3.178 1
1 329 . 1 1 1 A 29 29 PHE H H 29 7.873 9.117 -1.244 1
1 330 . 1 1 1 A 29 29 PHE HA H 29 5.159 5.018 0.141 1
1 338 . 1 1 1 A 29 29 PHE C C 29 169.840 174.674 -4.834 1
1 339 . 1 1 1 A 29 29 PHE CA C 29 56.025 56.565 -0.540 1
1 340 . 1 1 1 A 29 29 PHE CB C 29 42.454 42.220 0.234 1
1 344 . 1 1 1 A 29 29 PHE N N 29 124.137 126.350 -2.213 1
1 345 . 1 1 1 A 30 30 HIS H H 30 8.255 8.690 -0.435 1
1 346 . 1 1 1 A 30 30 HIS HA H 30 4.819 5.243 -0.424 1
1 351 . 1 1 1 A 30 30 HIS C C 30 176.598 175.341 1.257 1
1 352 . 1 1 1 A 30 30 HIS CA C 30 55.040 56.107 -1.067 1
1 353 . 1 1 1 A 30 30 HIS CB C 30 35.066 33.370 1.696 1
1 356 . 1 1 1 A 30 30 HIS N N 30 119.922 120.733 -0.811 1
1 357 . 1 1 1 A 31 31 VAL H H 31 8.390 9.282 -0.892 1
1 358 . 1 1 1 A 31 31 VAL HA H 31 3.911 3.929 -0.018 1
1 366 . 1 1 1 A 31 31 VAL C C 31 176.713 177.028 -0.315 1
1 367 . 1 1 1 A 31 31 VAL CA C 31 65.423 65.352 0.071 1
1 368 . 1 1 1 A 31 31 VAL CB C 31 32.354 31.803 0.551 1
1 371 . 1 1 1 A 31 31 VAL N N 31 126.977 125.039 1.938 1
1 372 . 1 1 1 A 32 32 ILE H H 32 10.207 7.609 2.598 1
1 373 . 1 1 1 A 32 32 ILE HA H 32 4.397 3.811 0.586 1
1 383 . 1 1 1 A 32 32 ILE C C 32 177.414 177.262 0.152 1
1 384 . 1 1 1 A 32 32 ILE CA C 32 63.601 62.816 0.785 1
1 385 . 1 1 1 A 32 32 ILE CB C 32 38.023 37.345 0.678 1
1 389 . 1 1 1 A 32 32 ILE N N 32 123.360 120.251 3.109 1
1 390 . 1 1 1 A 33 33 LYS H H 33 8.435 7.530 0.905 1
1 391 . 1 1 1 A 33 33 LYS HA H 33 4.734 4.428 0.306 1
1 400 . 1 1 1 A 33 33 LYS C C 33 175.037 175.469 -0.432 1
1 401 . 1 1 1 A 33 33 LYS CA C 33 54.046 56.406 -2.360 1
1 402 . 1 1 1 A 33 33 LYS CB C 33 31.743 33.115 -1.372 1
1 406 . 1 1 1 A 33 33 LYS N N 33 118.502 119.589 -1.087 1
1 407 . 1 1 1 A 34 34 VAL H H 34 7.750 7.673 0.077 1
1 408 . 1 1 1 A 34 34 VAL HA H 34 4.672 4.563 0.109 1
1 416 . 1 1 1 A 34 34 VAL C C 34 175.911 175.742 0.169 1
1 417 . 1 1 1 A 34 34 VAL CA C 34 60.255 61.234 -0.979 1
1 418 . 1 1 1 A 34 34 VAL CB C 34 32.064 33.644 -1.580 1
1 421 . 1 1 1 A 34 34 VAL N N 34 120.487 120.811 -0.324 1
1 422 . 1 1 1 A 35 35 ALA H H 35 9.109 8.758 0.351 1
1 423 . 1 1 1 A 35 35 ALA HA H 35 4.143 4.272 -0.129 1
1 427 . 1 1 1 A 35 35 ALA C C 35 177.887 177.722 0.165 1
1 428 . 1 1 1 A 35 35 ALA CA C 35 54.562 53.641 0.921 1
1 429 . 1 1 1 A 35 35 ALA CB C 35 18.880 19.550 -0.670 1
1 430 . 1 1 1 A 35 35 ALA N N 35 129.552 127.978 1.574 1
1 431 . 1 1 1 A 36 36 ASN H H 36 8.169 8.055 0.114 1
1 432 . 1 1 1 A 36 36 ASN HA H 36 5.108 5.103 0.005 1
1 437 . 1 1 1 A 36 36 ASN CA C 36 50.333 50.796 -0.463 1
1 438 . 1 1 1 A 36 36 ASN CB C 36 35.521 38.420 -2.899 1
1 439 . 1 1 1 A 36 36 ASN N N 36 112.302 115.213 -2.911 1
1 441 . 1 1 1 A 37 37 PRO HA H 37 3.891 4.401 -0.510 1
1 448 . 1 1 1 A 37 37 PRO C C 37 177.715 177.150 0.565 1
1 449 . 1 1 1 A 37 37 PRO CA C 37 64.104 64.319 -0.215 1
1 450 . 1 1 1 A 37 37 PRO CB C 37 32.380 31.930 0.450 1
1 453 . 1 1 1 A 38 38 ASP H H 38 8.843 8.283 0.560 1
1 454 . 1 1 1 A 38 38 ASP HA H 38 4.350 4.557 -0.207 1
1 457 . 1 1 1 A 38 38 ASP C C 38 176.942 177.027 -0.085 1
1 458 . 1 1 1 A 38 38 ASP CA C 38 56.035 55.669 0.366 1
1 459 . 1 1 1 A 38 38 ASP CB C 38 39.249 40.497 -1.248 1
1 460 . 1 1 1 A 38 38 ASP N N 38 118.913 118.362 0.551 1
1 461 . 1 1 1 A 39 39 LEU H H 39 7.548 7.161 0.387 1
1 462 . 1 1 1 A 39 39 LEU HA H 39 4.268 4.254 0.014 1
1 472 . 1 1 1 A 39 39 LEU C C 39 176.727 176.797 -0.070 1
1 473 . 1 1 1 A 39 39 LEU CA C 39 54.091 54.415 -0.324 1
1 474 . 1 1 1 A 39 39 LEU CB C 39 41.404 41.706 -0.302 1
1 478 . 1 1 1 A 39 39 LEU N N 39 117.047 116.796 0.251 1
1 479 . 1 1 1 A 40 40 ILE H H 40 7.047 6.932 0.115 1
1 480 . 1 1 1 A 40 40 ILE HA H 40 2.710 3.671 -0.961 1
1 490 . 1 1 1 A 40 40 ILE C C 40 174.794 175.951 -1.157 1
1 491 . 1 1 1 A 40 40 ILE CA C 40 64.352 61.172 3.180 1
1 492 . 1 1 1 A 40 40 ILE CB C 40 37.301 37.104 0.197 1
1 496 . 1 1 1 A 40 40 ILE N N 40 118.412 121.049 -2.637 1
1 497 . 1 1 1 A 41 41 LYS H H 41 6.395 8.581 -2.186 1
1 498 . 1 1 1 A 41 41 LYS HA H 41 4.246 4.814 -0.568 1
1 507 . 1 1 1 A 41 41 LYS C C 41 174.422 175.157 -0.735 1
1 508 . 1 1 1 A 41 41 LYS CA C 41 54.521 53.947 0.574 1
1 509 . 1 1 1 A 41 41 LYS CB C 41 35.426 36.573 -1.147 1
1 513 . 1 1 1 A 41 41 LYS N N 41 122.843 126.199 -3.356 1
1 514 . 1 1 1 A 42 42 LYS H H 42 8.788 8.513 0.275 1
1 515 . 1 1 1 A 42 42 LYS HA H 42 3.603 3.844 -0.241 1
1 524 . 1 1 1 A 42 42 LYS C C 42 176.169 176.867 -0.698 1
1 525 . 1 1 1 A 42 42 LYS CA C 42 59.038 58.221 0.817 1
1 526 . 1 1 1 A 42 42 LYS CB C 42 31.981 32.156 -0.175 1
1 530 . 1 1 1 A 42 42 LYS N N 42 122.219 122.907 -0.688 1
1 531 . 1 1 1 A 43 43 ASP H H 43 9.183 9.240 -0.057 1
1 532 . 1 1 1 A 43 43 ASP HA H 43 4.191 4.273 -0.082 1
1 535 . 1 1 1 A 43 43 ASP C C 43 174.866 175.058 -0.192 1
1 536 . 1 1 1 A 43 43 ASP CA C 43 57.064 55.529 1.535 1
1 537 . 1 1 1 A 43 43 ASP CB C 43 38.724 40.477 -1.753 1
1 538 . 1 1 1 A 43 43 ASP N N 43 119.807 125.981 -6.174 1
1 539 . 1 1 1 A 44 44 ALA H H 44 7.669 7.513 0.156 1
1 540 . 1 1 1 A 44 44 ALA HA H 44 4.273 4.428 -0.155 1
1 544 . 1 1 1 A 44 44 ALA C C 44 176.197 176.620 -0.423 1
1 545 . 1 1 1 A 44 44 ALA CA C 44 52.503 51.934 0.569 1
1 546 . 1 1 1 A 44 44 ALA CB C 44 19.511 20.389 -0.878 1
1 547 . 1 1 1 A 44 44 ALA N N 44 121.785 122.967 -1.182 1
1 548 . 1 1 1 A 45 45 ALA H H 45 8.522 8.537 -0.015 1
1 549 . 1 1 1 A 45 45 ALA HA H 45 4.820 5.429 -0.609 1
1 553 . 1 1 1 A 45 45 ALA C C 45 177.128 176.917 0.211 1
1 554 . 1 1 1 A 45 45 ALA CA C 45 51.512 50.604 0.908 1
1 555 . 1 1 1 A 45 45 ALA CB C 45 19.306 21.117 -1.811 1
1 556 . 1 1 1 A 45 45 ALA N N 45 125.014 122.803 2.211 1
1 557 . 1 1 1 A 46 46 VAL H H 46 8.358 9.299 -0.941 1
1 558 . 1 1 1 A 46 46 VAL HA H 46 5.659 5.148 0.511 1
1 566 . 1 1 1 A 46 46 VAL C C 46 177.199 174.392 2.807 1
1 567 . 1 1 1 A 46 46 VAL CA C 46 57.919 59.378 -1.459 1
1 568 . 1 1 1 A 46 46 VAL CB C 46 36.362 35.975 0.387 1
1 571 . 1 1 1 A 46 46 VAL N N 46 109.774 116.156 -6.382 1
1 572 . 1 1 1 A 47 47 THR H H 47 8.902 9.218 -0.316 1
1 573 . 1 1 1 A 47 47 THR HA H 47 5.462 5.482 -0.020 1
1 578 . 1 1 1 A 47 47 THR C C 47 173.405 173.735 -0.330 1
1 579 . 1 1 1 A 47 47 THR CA C 47 60.139 59.507 0.632 1
1 580 . 1 1 1 A 47 47 THR CB C 47 71.233 71.364 -0.131 1
1 582 . 1 1 1 A 47 47 THR N N 47 112.758 113.196 -0.438 1
1 583 . 1 1 1 A 48 48 PHE H H 48 8.423 8.228 0.195 1
1 584 . 1 1 1 A 48 48 PHE HA H 48 5.099 5.246 -0.147 1
1 591 . 1 1 1 A 48 48 PHE C C 48 172.231 172.400 -0.169 1
1 592 . 1 1 1 A 48 48 PHE CA C 48 56.390 55.762 0.628 1
1 593 . 1 1 1 A 48 48 PHE CB C 48 41.169 41.440 -0.271 1
1 596 . 1 1 1 A 48 48 PHE N N 48 115.866 118.200 -2.334 1
1 597 . 1 1 1 A 49 49 GLU H H 49 8.622 8.945 -0.323 1
1 598 . 1 1 1 A 49 49 GLU HA H 49 4.907 4.891 0.016 1
1 603 . 1 1 1 A 49 49 GLU CA C 49 51.497 53.688 -2.191 1
1 604 . 1 1 1 A 49 49 GLU CB C 49 28.890 30.156 -1.266 1
1 606 . 1 1 1 A 49 49 GLU N N 49 117.484 120.873 -3.389 1
1 607 . 1 1 1 A 50 50 PRO HA H 50 4.829 5.025 -0.196 1
1 614 . 1 1 1 A 50 50 PRO C C 50 175.925 175.095 0.830 1
1 615 . 1 1 1 A 50 50 PRO CA C 50 62.593 62.396 0.197 1
1 616 . 1 1 1 A 50 50 PRO CB C 50 32.917 32.240 0.677 1
1 619 . 1 1 1 A 51 51 THR H H 51 7.621 8.398 -0.777 1
1 620 . 1 1 1 A 51 51 THR HA H 51 4.742 4.738 0.004 1
1 625 . 1 1 1 A 51 51 THR C C 51 172.074 171.863 0.211 1
1 626 . 1 1 1 A 51 51 THR CA C 51 60.558 60.237 0.321 1
1 627 . 1 1 1 A 51 51 THR CB C 51 68.841 69.997 -1.156 1
1 629 . 1 1 1 A 51 51 THR N N 51 112.909 116.663 -3.754 1
1 630 . 1 1 1 A 52 52 THR H H 52 8.367 8.599 -0.232 1
1 631 . 1 1 1 A 52 52 THR HA H 52 4.975 5.314 -0.339 1
1 636 . 1 1 1 A 52 52 THR C C 52 173.047 173.394 -0.347 1
1 637 . 1 1 1 A 52 52 THR CA C 52 60.794 60.601 0.193 1
1 638 . 1 1 1 A 52 52 THR CB C 52 71.210 72.332 -1.122 1
1 640 . 1 1 1 A 52 52 THR N N 52 117.260 117.836 -0.576 1
1 641 . 1 1 1 A 53 53 ASN H H 53 8.827 8.878 -0.051 1
1 642 . 1 1 1 A 53 53 ASN HA H 53 4.756 5.196 -0.440 1
1 647 . 1 1 1 A 53 53 ASN CA C 53 53.430 51.383 2.047 1
1 648 . 1 1 1 A 53 53 ASN CB C 53 38.660 42.057 -3.397 1
1 649 . 1 1 1 A 53 53 ASN N N 53 122.737 121.707 1.030 1
1 651 . 1 1 1 A 54 54 ASN HA H 54 4.420 4.380 0.040 1
1 656 . 1 1 1 A 54 54 ASN C C 54 176.154 176.373 -0.219 1
1 657 . 1 1 1 A 54 54 ASN CA C 54 55.580 56.852 -1.272 1
1 658 . 1 1 1 A 54 54 ASN CB C 54 36.917 38.261 -1.344 1
1 660 . 1 1 1 A 55 55 LYS H H 55 8.190 7.855 0.335 1
1 661 . 1 1 1 A 55 55 LYS HA H 55 4.225 4.176 0.049 1
1 670 . 1 1 1 A 55 55 LYS C C 55 176.154 175.762 0.392 1
1 671 . 1 1 1 A 55 55 LYS CA C 55 55.113 55.709 -0.596 1
1 672 . 1 1 1 A 55 55 LYS CB C 55 31.703 32.046 -0.343 1
1 676 . 1 1 1 A 55 55 LYS N N 55 117.935 115.355 2.580 1
1 677 . 1 1 1 A 56 56 GLY H H 56 7.966 7.450 0.516 1
1 678 . 1 1 1 A 56 56 GLY HA2 H 56 4.496 4.138 0.358 1
1 679 . 1 1 1 A 56 56 GLY HA3 H 56 3.794 4.156 -0.362 1
1 680 . 1 1 1 A 56 56 GLY C C 56 173.262 172.246 1.016 1
1 681 . 1 1 1 A 56 56 GLY CA C 56 44.177 45.630 -1.453 1
1 682 . 1 1 1 A 56 56 GLY N N 56 108.898 107.372 1.526 1
1 683 . 1 1 1 A 57 57 LEU H H 57 8.716 8.351 0.365 1
1 684 . 1 1 1 A 57 57 LEU HA H 57 4.442 4.959 -0.517 1
1 694 . 1 1 1 A 57 57 LEU C C 57 178.488 175.447 3.041 1
1 695 . 1 1 1 A 57 57 LEU CA C 57 56.424 53.472 2.952 1
1 696 . 1 1 1 A 57 57 LEU CB C 57 42.582 44.709 -2.127 1
1 700 . 1 1 1 A 57 57 LEU N N 57 122.286 124.419 -2.133 1
1 701 . 1 1 1 A 58 58 SER H H 58 9.033 8.506 0.527 1
1 702 . 1 1 1 A 58 58 SER HA H 58 5.696 4.954 0.742 1
1 705 . 1 1 1 A 58 58 SER C C 58 173.820 172.157 1.663 1
1 706 . 1 1 1 A 58 58 SER CA C 58 56.715 56.727 -0.012 1
1 707 . 1 1 1 A 58 58 SER CB C 58 65.779 66.474 -0.695 1
1 708 . 1 1 1 A 58 58 SER N N 58 117.913 114.875 3.038 1
1 709 . 1 1 1 A 59 59 ALA H H 59 8.775 8.138 0.637 1
1 710 . 1 1 1 A 59 59 ALA HA H 59 5.409 5.339 0.070 1
1 714 . 1 1 1 A 59 59 ALA C C 59 174.966 175.199 -0.233 1
1 715 . 1 1 1 A 59 59 ALA CA C 59 50.783 50.084 0.699 1
1 716 . 1 1 1 A 59 59 ALA CB C 59 23.985 22.963 1.022 1
1 717 . 1 1 1 A 59 59 ALA N N 59 125.556 122.094 3.462 1
1 718 . 1 1 1 A 60 60 TYR H H 60 9.347 8.735 0.612 1
1 719 . 1 1 1 A 60 60 TYR HA H 60 5.030 4.973 0.057 1
1 726 . 1 1 1 A 60 60 TYR C C 60 171.673 175.179 -3.506 1
1 727 . 1 1 1 A 60 60 TYR CA C 60 55.484 57.203 -1.719 1
1 728 . 1 1 1 A 60 60 TYR CB C 60 39.502 41.977 -2.475 1
1 731 . 1 1 1 A 60 60 TYR N N 60 118.946 118.481 0.465 1
1 732 . 1 1 1 A 61 61 ALA H H 61 9.176 8.594 0.582 1
1 733 . 1 1 1 A 61 61 ALA HA H 61 4.116 3.909 0.207 1
1 737 . 1 1 1 A 61 61 ALA C C 61 175.825 176.834 -1.009 1
1 738 . 1 1 1 A 61 61 ALA CA C 61 52.809 52.895 -0.086 1
1 739 . 1 1 1 A 61 61 ALA CB C 61 16.597 17.510 -0.913 1
1 740 . 1 1 1 A 61 61 ALA N N 61 124.113 121.522 2.591 1
1 741 . 1 1 1 A 62 62 VAL H H 62 7.968 8.263 -0.295 1
1 742 . 1 1 1 A 62 62 VAL HA H 62 4.300 4.388 -0.088 1
1 750 . 1 1 1 A 62 62 VAL C C 62 175.395 175.876 -0.481 1
1 751 . 1 1 1 A 62 62 VAL CA C 62 62.252 62.961 -0.709 1
1 752 . 1 1 1 A 62 62 VAL CB C 62 31.435 32.237 -0.802 1
1 755 . 1 1 1 A 62 62 VAL N N 62 116.561 118.414 -1.853 1
1 756 . 1 1 1 A 63 63 LYS H H 63 9.208 9.253 -0.045 1
1 757 . 1 1 1 A 63 63 LYS HA H 63 4.633 5.329 -0.696 1
1 766 . 1 1 1 A 63 63 LYS C C 63 175.238 174.940 0.298 1
1 767 . 1 1 1 A 63 63 LYS CA C 63 54.729 54.461 0.268 1
1 768 . 1 1 1 A 63 63 LYS CB C 63 34.859 35.369 -0.510 1
1 772 . 1 1 1 A 63 63 LYS N N 63 128.892 124.836 4.056 1
1 773 . 1 1 1 A 64 64 VAL H H 64 9.588 9.141 0.447 1
1 774 . 1 1 1 A 64 64 VAL HA H 64 4.345 4.365 -0.020 1
1 782 . 1 1 1 A 64 64 VAL C C 64 176.856 175.345 1.511 1
1 783 . 1 1 1 A 64 64 VAL CA C 64 62.563 62.217 0.346 1
1 784 . 1 1 1 A 64 64 VAL CB C 64 30.916 31.963 -1.047 1
1 787 . 1 1 1 A 64 64 VAL N N 64 126.595 124.520 2.075 1
1 788 . 1 1 1 A 65 65 VAL H H 65 8.597 8.943 -0.346 1
1 789 . 1 1 1 A 65 65 VAL HA H 65 4.370 4.561 -0.191 1
1 797 . 1 1 1 A 65 65 VAL CA C 65 62.480 59.378 3.102 1
1 798 . 1 1 1 A 65 65 VAL CB C 65 32.436 31.876 0.560 1
1 801 . 1 1 1 A 65 65 VAL N N 65 127.945 126.251 1.694 1
1 802 . 1 1 1 A 66 66 PRO HA H 66 4.385 4.693 -0.308 1
1 809 . 1 1 1 A 66 66 PRO C C 66 176.627 176.917 -0.290 1
1 810 . 1 1 1 A 66 66 PRO CA C 66 62.511 62.655 -0.144 1
1 811 . 1 1 1 A 66 66 PRO CB C 66 31.875 32.593 -0.718 1
1 814 . 1 1 1 A 67 67 LEU H H 67 8.236 8.789 -0.553 1
1 815 . 1 1 1 A 67 67 LEU HA H 67 4.181 4.184 -0.003 1
1 825 . 1 1 1 A 67 67 LEU C C 67 177.357 176.439 0.918 1
1 826 . 1 1 1 A 67 67 LEU CA C 67 55.352 55.639 -0.287 1
1 827 . 1 1 1 A 67 67 LEU CB C 67 42.355 42.487 -0.132 1
1 831 . 1 1 1 A 67 67 LEU N N 67 122.691 120.093 2.598 1
1 832 . 1 1 1 A 68 68 GLU H H 68 8.432 7.556 0.876 1
1 833 . 1 1 1 A 68 68 GLU HA H 68 4.184 4.401 -0.217 1
1 838 . 1 1 1 A 68 68 GLU C C 68 176.054 174.476 1.578 1
1 839 . 1 1 1 A 68 68 GLU CA C 68 56.250 54.673 1.577 1
1 840 . 1 1 1 A 68 68 GLU CB C 68 30.077 33.722 -3.645 1
1 842 . 1 1 1 A 68 68 GLU N N 68 121.298 118.612 2.686 1
1 843 . 1 1 1 A 69 69 HIS H H 69 8.303 8.413 -0.110 1
1 844 . 1 1 1 A 69 69 HIS HA H 69 4.517 5.052 -0.535 1
1 849 . 1 1 1 A 69 69 HIS C C 69 173.863 174.050 -0.187 1
1 850 . 1 1 1 A 69 69 HIS CA C 69 55.663 54.291 1.372 1
1 851 . 1 1 1 A 69 69 HIS CB C 69 29.904 30.882 -0.978 1
1 1 . 2 1 1 A 2 2 ALA HA H 2 3.908 5.162 -1.254 1
1 5 . 2 1 1 A 2 2 ALA C C 2 174.665 176.795 -2.130 1
1 6 . 2 1 1 A 2 2 ALA CA C 2 51.696 51.205 0.491 1
1 7 . 2 1 1 A 2 2 ALA CB C 2 19.380 20.056 -0.676 1
1 8 . 2 1 1 A 3 3 MET H H 3 8.516 8.694 -0.178 1
1 9 . 2 1 1 A 3 3 MET HA H 3 4.349 4.863 -0.514 1
1 17 . 2 1 1 A 3 3 MET C C 3 173.119 173.941 -0.822 1
1 18 . 2 1 1 A 3 3 MET CA C 3 54.457 53.743 0.714 1
1 19 . 2 1 1 A 3 3 MET CB C 3 37.020 35.712 1.308 1
1 22 . 2 1 1 A 3 3 MET N N 3 118.958 121.498 -2.540 1
1 23 . 2 1 1 A 4 4 ASN H H 4 8.627 8.608 0.019 1
1 24 . 2 1 1 A 4 4 ASN HA H 4 5.470 5.809 -0.339 1
1 29 . 2 1 1 A 4 4 ASN C C 4 175.782 174.244 1.538 1
1 30 . 2 1 1 A 4 4 ASN CA C 4 52.043 51.619 0.424 1
1 31 . 2 1 1 A 4 4 ASN CB C 4 41.102 41.148 -0.046 1
1 32 . 2 1 1 A 4 4 ASN N N 4 116.608 118.872 -2.264 1
1 34 . 2 1 1 A 5 5 GLY H H 5 8.444 8.847 -0.403 1
1 35 . 2 1 1 A 5 5 GLY HA2 H 5 4.652 4.433 0.219 1
1 36 . 2 1 1 A 5 5 GLY HA3 H 5 3.710 4.657 -0.947 1
1 37 . 2 1 1 A 5 5 GLY C C 5 171.487 172.047 -0.560 1
1 38 . 2 1 1 A 5 5 GLY CA C 5 46.682 44.752 1.930 1
1 39 . 2 1 1 A 5 5 GLY N N 5 104.747 109.327 -4.580 1
1 40 . 2 1 1 A 6 6 THR H H 6 8.303 9.060 -0.757 1
1 41 . 2 1 1 A 6 6 THR HA H 6 5.193 5.298 -0.105 1
1 46 . 2 1 1 A 6 6 THR C C 6 173.634 173.946 -0.312 1
1 47 . 2 1 1 A 6 6 THR CA C 6 60.367 61.348 -0.981 1
1 48 . 2 1 1 A 6 6 THR CB C 6 72.071 71.379 0.692 1
1 50 . 2 1 1 A 6 6 THR N N 6 114.893 114.563 0.330 1
1 51 . 2 1 1 A 7 7 ILE H H 7 8.887 9.105 -0.218 1
1 52 . 2 1 1 A 7 7 ILE HA H 7 4.189 4.044 0.145 1
1 62 . 2 1 1 A 7 7 ILE C C 7 175.782 176.860 -1.078 1
1 63 . 2 1 1 A 7 7 ILE CA C 7 62.394 61.579 0.815 1
1 64 . 2 1 1 A 7 7 ILE CB C 7 37.461 36.655 0.806 1
1 68 . 2 1 1 A 7 7 ILE N N 7 125.014 126.575 -1.561 1
1 69 . 2 1 1 A 8 8 THR H H 8 8.968 8.723 0.245 1
1 70 . 2 1 1 A 8 8 THR HA H 8 4.583 4.532 0.051 1
1 75 . 2 1 1 A 8 8 THR C C 8 175.352 174.918 0.434 1
1 76 . 2 1 1 A 8 8 THR CA C 8 62.547 62.457 0.090 1
1 77 . 2 1 1 A 8 8 THR CB C 8 69.324 69.548 -0.224 1
1 79 . 2 1 1 A 8 8 THR N N 8 123.264 119.300 3.964 1
1 80 . 2 1 1 A 9 9 THR H H 9 7.744 7.615 0.129 1
1 81 . 2 1 1 A 9 9 THR HA H 9 4.408 5.012 -0.604 1
1 86 . 2 1 1 A 9 9 THR C C 9 171.759 172.654 -0.895 1
1 87 . 2 1 1 A 9 9 THR CA C 9 61.370 61.564 -0.194 1
1 88 . 2 1 1 A 9 9 THR CB C 9 72.472 71.412 1.060 1
1 90 . 2 1 1 A 9 9 THR N N 9 116.608 115.237 1.371 1
1 91 . 2 1 1 A 10 10 TRP H H 10 8.620 8.459 0.161 1
1 92 . 2 1 1 A 10 10 TRP HA H 10 4.844 5.211 -0.367 1
1 101 . 2 1 1 A 10 10 TRP C C 10 172.833 174.121 -1.288 1
1 102 . 2 1 1 A 10 10 TRP CA C 10 55.471 55.690 -0.219 1
1 103 . 2 1 1 A 10 10 TRP CB C 10 32.843 32.828 0.015 1
1 109 . 2 1 1 A 10 10 TRP N N 10 126.095 128.303 -2.208 1
1 111 . 2 1 1 A 11 11 PHE H H 11 7.892 8.390 -0.498 1
1 112 . 2 1 1 A 11 11 PHE HA H 11 4.508 4.582 -0.074 1
1 120 . 2 1 1 A 11 11 PHE C C 11 174.493 175.325 -0.832 1
1 121 . 2 1 1 A 11 11 PHE CA C 11 54.001 55.966 -1.965 1
1 122 . 2 1 1 A 11 11 PHE CB C 11 36.906 37.699 -0.793 1
1 126 . 2 1 1 A 11 11 PHE N N 11 127.953 126.786 1.167 1
1 127 . 2 1 1 A 12 12 LYS H H 12 7.844 8.229 -0.385 1
1 128 . 2 1 1 A 12 12 LYS HA H 12 2.844 3.695 -0.851 1
1 137 . 2 1 1 A 12 12 LYS C C 12 177.701 177.537 0.164 1
1 138 . 2 1 1 A 12 12 LYS CA C 12 59.164 60.155 -0.991 1
1 139 . 2 1 1 A 12 12 LYS CB C 12 32.427 32.230 0.197 1
1 143 . 2 1 1 A 12 12 LYS N N 12 125.042 125.849 -0.807 1
1 144 . 2 1 1 A 13 13 ASP H H 13 8.638 8.303 0.335 1
1 145 . 2 1 1 A 13 13 ASP HA H 13 4.281 4.282 -0.001 1
1 148 . 2 1 1 A 13 13 ASP C C 13 176.827 178.992 -2.165 1
1 149 . 2 1 1 A 13 13 ASP CA C 13 55.401 57.650 -2.249 1
1 150 . 2 1 1 A 13 13 ASP CB C 13 39.349 41.974 -2.625 1
1 151 . 2 1 1 A 13 13 ASP N N 13 114.668 119.473 -4.805 1
1 152 . 2 1 1 A 14 14 LYS H H 14 6.965 7.673 -0.708 1
1 153 . 2 1 1 A 14 14 LYS HA H 14 4.425 4.282 0.143 1
1 162 . 2 1 1 A 14 14 LYS C C 14 176.913 176.797 0.116 1
1 163 . 2 1 1 A 14 14 LYS CA C 14 55.288 57.538 -2.250 1
1 164 . 2 1 1 A 14 14 LYS CB C 14 34.562 33.304 1.258 1
1 168 . 2 1 1 A 14 14 LYS N N 14 116.507 118.565 -2.058 1
1 169 . 2 1 1 A 15 15 GLY H H 15 7.619 8.511 -0.892 1
1 170 . 2 1 1 A 15 15 GLY HA2 H 15 3.875 3.864 0.011 1
1 171 . 2 1 1 A 15 15 GLY HA3 H 15 3.499 4.014 -0.515 1
1 172 . 2 1 1 A 15 15 GLY C C 15 171.358 173.530 -2.172 1
1 173 . 2 1 1 A 15 15 GLY CA C 15 46.020 45.184 0.836 1
1 174 . 2 1 1 A 15 15 GLY N N 15 107.093 106.921 0.172 1
1 175 . 2 1 1 A 16 16 PHE H H 16 6.663 7.137 -0.474 1
1 176 . 2 1 1 A 16 16 PHE HA H 16 4.866 4.965 -0.099 1
1 183 . 2 1 1 A 16 16 PHE C C 16 171.472 173.555 -2.083 1
1 184 . 2 1 1 A 16 16 PHE CA C 16 54.765 54.979 -0.214 1
1 185 . 2 1 1 A 16 16 PHE CB C 16 41.805 42.205 -0.400 1
1 188 . 2 1 1 A 16 16 PHE N N 16 112.369 114.524 -2.155 1
1 189 . 2 1 1 A 17 17 GLY H H 17 7.436 8.082 -0.646 1
1 190 . 2 1 1 A 17 17 GLY HA2 H 17 3.951 3.985 -0.034 1
1 191 . 2 1 1 A 17 17 GLY HA3 H 17 3.399 4.301 -0.902 1
1 192 . 2 1 1 A 17 17 GLY C C 17 169.926 171.317 -1.391 1
1 193 . 2 1 1 A 17 17 GLY CA C 17 45.073 45.960 -0.887 1
1 194 . 2 1 1 A 17 17 GLY N N 17 105.719 106.210 -0.491 1
1 195 . 2 1 1 A 18 18 PHE H H 18 8.505 9.525 -1.020 1
1 196 . 2 1 1 A 18 18 PHE HA H 18 5.728 5.655 0.073 1
1 204 . 2 1 1 A 18 18 PHE C C 18 175.023 174.984 0.039 1
1 205 . 2 1 1 A 18 18 PHE CA C 18 56.493 56.286 0.207 1
1 206 . 2 1 1 A 18 18 PHE CB C 18 43.783 42.269 1.514 1
1 210 . 2 1 1 A 18 18 PHE N N 18 113.767 119.150 -5.383 1
1 211 . 2 1 1 A 19 19 ILE H H 19 9.615 9.068 0.547 1
1 212 . 2 1 1 A 19 19 ILE HA H 19 4.679 4.804 -0.125 1
1 222 . 2 1 1 A 19 19 ILE C C 19 174.894 174.243 0.651 1
1 223 . 2 1 1 A 19 19 ILE CA C 19 58.585 60.281 -1.696 1
1 224 . 2 1 1 A 19 19 ILE CB C 19 43.854 39.529 4.325 1
1 228 . 2 1 1 A 19 19 ILE N N 19 122.746 123.436 -0.690 1
1 229 . 2 1 1 A 20 20 LYS H H 20 8.971 9.063 -0.092 1
1 230 . 2 1 1 A 20 20 LYS HA H 20 5.241 5.282 -0.041 1
1 239 . 2 1 1 A 20 20 LYS C C 20 177.413 176.178 1.235 1
1 240 . 2 1 1 A 20 20 LYS CA C 20 54.622 54.838 -0.216 1
1 241 . 2 1 1 A 20 20 LYS CB C 20 33.070 35.103 -2.033 1
1 245 . 2 1 1 A 20 20 LYS N N 20 127.450 129.114 -1.664 1
1 246 . 2 1 1 A 21 21 ASP H H 21 9.363 8.702 0.661 1
1 247 . 2 1 1 A 21 21 ASP HA H 21 5.241 4.974 0.267 1
1 250 . 2 1 1 A 21 21 ASP C C 21 178.431 176.268 2.163 1
1 251 . 2 1 1 A 21 21 ASP CA C 21 52.981 52.467 0.514 1
1 252 . 2 1 1 A 21 21 ASP CB C 21 44.583 41.514 3.069 1
1 253 . 2 1 1 A 21 21 ASP N N 21 129.797 125.663 4.134 1
1 254 . 2 1 1 A 22 22 GLU H H 22 8.127 8.698 -0.571 1
1 255 . 2 1 1 A 22 22 GLU HA H 22 4.264 4.546 -0.282 1
1 260 . 2 1 1 A 22 22 GLU C C 22 176.226 177.448 -1.222 1
1 261 . 2 1 1 A 22 22 GLU CA C 22 57.515 56.136 1.379 1
1 262 . 2 1 1 A 22 22 GLU CB C 22 29.830 29.968 -0.138 1
1 264 . 2 1 1 A 22 22 GLU N N 22 115.545 119.765 -4.220 1
1 265 . 2 1 1 A 23 23 ASN H H 23 8.606 8.335 0.271 1
1 266 . 2 1 1 A 23 23 ASN HA H 23 4.963 4.790 0.173 1
1 271 . 2 1 1 A 23 23 ASN C C 23 175.582 176.822 -1.240 1
1 272 . 2 1 1 A 23 23 ASN CA C 23 52.968 55.130 -2.162 1
1 273 . 2 1 1 A 23 23 ASN CB C 23 39.172 39.619 -0.447 1
1 274 . 2 1 1 A 23 23 ASN N N 23 118.707 118.703 0.004 1
1 276 . 2 1 1 A 24 24 GLY H H 24 8.451 8.878 -0.427 1
1 277 . 2 1 1 A 24 24 GLY HA2 H 24 4.323 4.093 0.230 1
1 278 . 2 1 1 A 24 24 GLY HA3 H 24 3.484 4.114 -0.630 1
1 279 . 2 1 1 A 24 24 GLY C C 24 174.121 173.528 0.593 1
1 280 . 2 1 1 A 24 24 GLY CA C 24 44.816 45.564 -0.748 1
1 281 . 2 1 1 A 24 24 GLY N N 24 108.999 107.765 1.234 1
1 282 . 2 1 1 A 25 25 ASP H H 25 8.326 7.872 0.454 1
1 283 . 2 1 1 A 25 25 ASP HA H 25 4.792 4.906 -0.114 1
1 286 . 2 1 1 A 25 25 ASP C C 25 173.047 174.712 -1.665 1
1 287 . 2 1 1 A 25 25 ASP CA C 25 54.677 53.031 1.646 1
1 288 . 2 1 1 A 25 25 ASP CB C 25 41.577 43.777 -2.200 1
1 289 . 2 1 1 A 25 25 ASP N N 25 121.814 118.588 3.226 1
1 290 . 2 1 1 A 26 26 ASN H H 26 8.503 8.703 -0.200 1
1 291 . 2 1 1 A 26 26 ASN HA H 26 5.607 5.223 0.384 1
1 296 . 2 1 1 A 26 26 ASN C C 26 175.496 175.536 -0.040 1
1 297 . 2 1 1 A 26 26 ASN CA C 26 52.290 53.306 -1.016 1
1 298 . 2 1 1 A 26 26 ASN CB C 26 40.017 38.951 1.066 1
1 299 . 2 1 1 A 26 26 ASN N N 26 119.224 118.862 0.362 1
1 301 . 2 1 1 A 27 27 ARG H H 27 9.884 8.966 0.918 1
1 302 . 2 1 1 A 27 27 ARG HA H 27 4.720 4.826 -0.106 1
1 309 . 2 1 1 A 27 27 ARG C C 27 174.665 175.192 -0.527 1
1 310 . 2 1 1 A 27 27 ARG CA C 27 54.314 54.870 -0.556 1
1 311 . 2 1 1 A 27 27 ARG CB C 27 33.562 32.714 0.848 1
1 314 . 2 1 1 A 27 27 ARG N N 27 122.242 123.537 -1.295 1
1 315 . 2 1 1 A 28 28 TYR H H 28 8.314 9.526 -1.212 1
1 316 . 2 1 1 A 28 28 TYR HA H 28 4.365 4.824 -0.459 1
1 323 . 2 1 1 A 28 28 TYR C C 28 174.765 174.344 0.421 1
1 324 . 2 1 1 A 28 28 TYR CA C 28 58.102 57.967 0.135 1
1 325 . 2 1 1 A 28 28 TYR CB C 28 39.606 38.996 0.610 1
1 328 . 2 1 1 A 28 28 TYR N N 28 126.908 124.021 2.887 1
1 329 . 2 1 1 A 29 29 PHE H H 29 7.873 9.219 -1.346 1
1 330 . 2 1 1 A 29 29 PHE HA H 29 5.159 5.034 0.125 1
1 338 . 2 1 1 A 29 29 PHE C C 29 169.840 174.647 -4.807 1
1 339 . 2 1 1 A 29 29 PHE CA C 29 56.025 56.593 -0.568 1
1 340 . 2 1 1 A 29 29 PHE CB C 29 42.454 42.164 0.290 1
1 344 . 2 1 1 A 29 29 PHE N N 29 124.137 126.379 -2.242 1
1 345 . 2 1 1 A 30 30 HIS H H 30 8.255 8.596 -0.341 1
1 346 . 2 1 1 A 30 30 HIS HA H 30 4.819 5.084 -0.265 1
1 351 . 2 1 1 A 30 30 HIS C C 30 176.598 175.420 1.178 1
1 352 . 2 1 1 A 30 30 HIS CA C 30 55.040 56.037 -0.997 1
1 353 . 2 1 1 A 30 30 HIS CB C 30 35.066 32.901 2.165 1
1 356 . 2 1 1 A 30 30 HIS N N 30 119.922 121.649 -1.727 1
1 357 . 2 1 1 A 31 31 VAL H H 31 8.390 9.335 -0.945 1
1 358 . 2 1 1 A 31 31 VAL HA H 31 3.911 3.981 -0.070 1
1 366 . 2 1 1 A 31 31 VAL C C 31 176.713 176.928 -0.215 1
1 367 . 2 1 1 A 31 31 VAL CA C 31 65.423 65.411 0.012 1
1 368 . 2 1 1 A 31 31 VAL CB C 31 32.354 31.895 0.459 1
1 371 . 2 1 1 A 31 31 VAL N N 31 126.977 124.988 1.989 1
1 372 . 2 1 1 A 32 32 ILE H H 32 10.207 7.486 2.721 1
1 373 . 2 1 1 A 32 32 ILE HA H 32 4.397 3.773 0.624 1
1 383 . 2 1 1 A 32 32 ILE C C 32 177.414 177.379 0.035 1
1 384 . 2 1 1 A 32 32 ILE CA C 32 63.601 63.007 0.594 1
1 385 . 2 1 1 A 32 32 ILE CB C 32 38.023 37.261 0.762 1
1 389 . 2 1 1 A 32 32 ILE N N 32 123.360 120.305 3.055 1
1 390 . 2 1 1 A 33 33 LYS H H 33 8.435 7.626 0.809 1
1 391 . 2 1 1 A 33 33 LYS HA H 33 4.734 4.362 0.372 1
1 400 . 2 1 1 A 33 33 LYS C C 33 175.037 176.454 -1.417 1
1 401 . 2 1 1 A 33 33 LYS CA C 33 54.046 56.320 -2.274 1
1 402 . 2 1 1 A 33 33 LYS CB C 33 31.743 33.038 -1.295 1
1 406 . 2 1 1 A 33 33 LYS N N 33 118.502 119.822 -1.320 1
1 407 . 2 1 1 A 34 34 VAL H H 34 7.750 7.452 0.298 1
1 408 . 2 1 1 A 34 34 VAL HA H 34 4.672 4.233 0.439 1
1 416 . 2 1 1 A 34 34 VAL C C 34 175.911 176.153 -0.242 1
1 417 . 2 1 1 A 34 34 VAL CA C 34 60.255 62.886 -2.631 1
1 418 . 2 1 1 A 34 34 VAL CB C 34 32.064 32.331 -0.267 1
1 421 . 2 1 1 A 34 34 VAL N N 34 120.487 121.028 -0.541 1
1 422 . 2 1 1 A 35 35 ALA H H 35 9.109 9.035 0.074 1
1 423 . 2 1 1 A 35 35 ALA HA H 35 4.143 4.204 -0.061 1
1 427 . 2 1 1 A 35 35 ALA C C 35 177.887 177.772 0.115 1
1 428 . 2 1 1 A 35 35 ALA CA C 35 54.562 54.059 0.503 1
1 429 . 2 1 1 A 35 35 ALA CB C 35 18.880 19.263 -0.383 1
1 430 . 2 1 1 A 35 35 ALA N N 35 129.552 128.234 1.318 1
1 431 . 2 1 1 A 36 36 ASN H H 36 8.169 8.029 0.140 1
1 432 . 2 1 1 A 36 36 ASN HA H 36 5.108 5.100 0.008 1
1 437 . 2 1 1 A 36 36 ASN CA C 36 50.333 50.765 -0.432 1
1 438 . 2 1 1 A 36 36 ASN CB C 36 35.521 38.400 -2.879 1
1 439 . 2 1 1 A 36 36 ASN N N 36 112.302 115.765 -3.463 1
1 441 . 2 1 1 A 37 37 PRO HA H 37 3.891 4.345 -0.454 1
1 448 . 2 1 1 A 37 37 PRO C C 37 177.715 177.073 0.642 1
1 449 . 2 1 1 A 37 37 PRO CA C 37 64.104 64.004 0.100 1
1 450 . 2 1 1 A 37 37 PRO CB C 37 32.380 31.948 0.432 1
1 453 . 2 1 1 A 38 38 ASP H H 38 8.843 8.472 0.371 1
1 454 . 2 1 1 A 38 38 ASP HA H 38 4.350 4.550 -0.200 1
1 457 . 2 1 1 A 38 38 ASP C C 38 176.942 176.887 0.055 1
1 458 . 2 1 1 A 38 38 ASP CA C 38 56.035 55.704 0.331 1
1 459 . 2 1 1 A 38 38 ASP CB C 38 39.249 40.453 -1.204 1
1 460 . 2 1 1 A 38 38 ASP N N 38 118.913 118.758 0.155 1
1 461 . 2 1 1 A 39 39 LEU H H 39 7.548 7.242 0.306 1
1 462 . 2 1 1 A 39 39 LEU HA H 39 4.268 4.375 -0.107 1
1 472 . 2 1 1 A 39 39 LEU C C 39 176.727 176.630 0.097 1
1 473 . 2 1 1 A 39 39 LEU CA C 39 54.091 54.153 -0.062 1
1 474 . 2 1 1 A 39 39 LEU CB C 39 41.404 42.330 -0.926 1
1 478 . 2 1 1 A 39 39 LEU N N 39 117.047 116.582 0.465 1
1 479 . 2 1 1 A 40 40 ILE H H 40 7.047 6.831 0.216 1
1 480 . 2 1 1 A 40 40 ILE HA H 40 2.710 3.698 -0.988 1
1 490 . 2 1 1 A 40 40 ILE C C 40 174.794 175.501 -0.707 1
1 491 . 2 1 1 A 40 40 ILE CA C 40 64.352 61.983 2.369 1
1 492 . 2 1 1 A 40 40 ILE CB C 40 37.301 37.470 -0.169 1
1 496 . 2 1 1 A 40 40 ILE N N 40 118.412 121.577 -3.165 1
1 497 . 2 1 1 A 41 41 LYS H H 41 6.395 8.634 -2.239 1
1 498 . 2 1 1 A 41 41 LYS HA H 41 4.246 4.847 -0.601 1
1 507 . 2 1 1 A 41 41 LYS C C 41 174.422 174.369 0.053 1
1 508 . 2 1 1 A 41 41 LYS CA C 41 54.521 53.956 0.565 1
1 509 . 2 1 1 A 41 41 LYS CB C 41 35.426 35.919 -0.493 1
1 513 . 2 1 1 A 41 41 LYS N N 41 122.843 124.082 -1.239 1
1 514 . 2 1 1 A 42 42 LYS H H 42 8.788 8.458 0.330 1
1 515 . 2 1 1 A 42 42 LYS HA H 42 3.603 4.044 -0.441 1
1 524 . 2 1 1 A 42 42 LYS C C 42 176.169 176.855 -0.686 1
1 525 . 2 1 1 A 42 42 LYS CA C 42 59.038 56.779 2.259 1
1 526 . 2 1 1 A 42 42 LYS CB C 42 31.981 32.715 -0.734 1
1 530 . 2 1 1 A 42 42 LYS N N 42 122.219 122.906 -0.687 1
1 531 . 2 1 1 A 43 43 ASP H H 43 9.183 9.208 -0.025 1
1 532 . 2 1 1 A 43 43 ASP HA H 43 4.191 4.204 -0.013 1
1 535 . 2 1 1 A 43 43 ASP C C 43 174.866 174.762 0.104 1
1 536 . 2 1 1 A 43 43 ASP CA C 43 57.064 55.424 1.640 1
1 537 . 2 1 1 A 43 43 ASP CB C 43 38.724 40.171 -1.447 1
1 538 . 2 1 1 A 43 43 ASP N N 43 119.807 125.530 -5.723 1
1 539 . 2 1 1 A 44 44 ALA H H 44 7.669 7.730 -0.061 1
1 540 . 2 1 1 A 44 44 ALA HA H 44 4.273 4.591 -0.318 1
1 544 . 2 1 1 A 44 44 ALA C C 44 176.197 176.599 -0.402 1
1 545 . 2 1 1 A 44 44 ALA CA C 44 52.503 50.430 2.073 1
1 546 . 2 1 1 A 44 44 ALA CB C 44 19.511 20.979 -1.468 1
1 547 . 2 1 1 A 44 44 ALA N N 44 121.785 120.580 1.205 1
1 548 . 2 1 1 A 45 45 ALA H H 45 8.522 8.507 0.015 1
1 549 . 2 1 1 A 45 45 ALA HA H 45 4.820 5.161 -0.341 1
1 553 . 2 1 1 A 45 45 ALA C C 45 177.128 177.218 -0.090 1
1 554 . 2 1 1 A 45 45 ALA CA C 45 51.512 51.217 0.295 1
1 555 . 2 1 1 A 45 45 ALA CB C 45 19.306 20.611 -1.305 1
1 556 . 2 1 1 A 45 45 ALA N N 45 125.014 123.228 1.786 1
1 557 . 2 1 1 A 46 46 VAL H H 46 8.358 9.301 -0.943 1
1 558 . 2 1 1 A 46 46 VAL HA H 46 5.659 5.183 0.476 1
1 566 . 2 1 1 A 46 46 VAL C C 46 177.199 174.559 2.640 1
1 567 . 2 1 1 A 46 46 VAL CA C 46 57.919 59.196 -1.277 1
1 568 . 2 1 1 A 46 46 VAL CB C 46 36.362 35.667 0.695 1
1 571 . 2 1 1 A 46 46 VAL N N 46 109.774 116.426 -6.652 1
1 572 . 2 1 1 A 47 47 THR H H 47 8.902 9.120 -0.218 1
1 573 . 2 1 1 A 47 47 THR HA H 47 5.462 5.514 -0.052 1
1 578 . 2 1 1 A 47 47 THR C C 47 173.405 173.838 -0.433 1
1 579 . 2 1 1 A 47 47 THR CA C 47 60.139 59.956 0.183 1
1 580 . 2 1 1 A 47 47 THR CB C 47 71.233 70.728 0.505 1
1 582 . 2 1 1 A 47 47 THR N N 47 112.758 115.526 -2.768 1
1 583 . 2 1 1 A 48 48 PHE H H 48 8.423 8.534 -0.111 1
1 584 . 2 1 1 A 48 48 PHE HA H 48 5.099 5.091 0.008 1
1 591 . 2 1 1 A 48 48 PHE C C 48 172.231 172.273 -0.042 1
1 592 . 2 1 1 A 48 48 PHE CA C 48 56.390 55.910 0.480 1
1 593 . 2 1 1 A 48 48 PHE CB C 48 41.169 41.127 0.042 1
1 596 . 2 1 1 A 48 48 PHE N N 48 115.866 118.527 -2.661 1
1 597 . 2 1 1 A 49 49 GLU H H 49 8.622 8.352 0.270 1
1 598 . 2 1 1 A 49 49 GLU HA H 49 4.907 4.832 0.075 1
1 603 . 2 1 1 A 49 49 GLU CA C 49 51.497 52.892 -1.395 1
1 604 . 2 1 1 A 49 49 GLU CB C 49 28.890 31.411 -2.521 1
1 606 . 2 1 1 A 49 49 GLU N N 49 117.484 119.786 -2.302 1
1 607 . 2 1 1 A 50 50 PRO HA H 50 4.829 5.013 -0.184 1
1 614 . 2 1 1 A 50 50 PRO C C 50 175.925 175.081 0.844 1
1 615 . 2 1 1 A 50 50 PRO CA C 50 62.593 62.356 0.237 1
1 616 . 2 1 1 A 50 50 PRO CB C 50 32.917 31.973 0.944 1
1 619 . 2 1 1 A 51 51 THR H H 51 7.621 8.880 -1.259 1
1 620 . 2 1 1 A 51 51 THR HA H 51 4.742 4.859 -0.117 1
1 625 . 2 1 1 A 51 51 THR C C 51 172.074 172.234 -0.160 1
1 626 . 2 1 1 A 51 51 THR CA C 51 60.558 59.856 0.702 1
1 627 . 2 1 1 A 51 51 THR CB C 51 68.841 70.415 -1.574 1
1 629 . 2 1 1 A 51 51 THR N N 51 112.909 116.903 -3.994 1
1 630 . 2 1 1 A 52 52 THR H H 52 8.367 8.453 -0.086 1
1 631 . 2 1 1 A 52 52 THR HA H 52 4.975 5.124 -0.149 1
1 636 . 2 1 1 A 52 52 THR C C 52 173.047 174.017 -0.970 1
1 637 . 2 1 1 A 52 52 THR CA C 52 60.794 61.170 -0.376 1
1 638 . 2 1 1 A 52 52 THR CB C 52 71.210 71.672 -0.462 1
1 640 . 2 1 1 A 52 52 THR N N 52 117.260 116.577 0.683 1
1 641 . 2 1 1 A 53 53 ASN H H 53 8.827 8.968 -0.141 1
1 642 . 2 1 1 A 53 53 ASN HA H 53 4.756 4.881 -0.125 1
1 647 . 2 1 1 A 53 53 ASN CA C 53 53.430 54.895 -1.465 1
1 648 . 2 1 1 A 53 53 ASN CB C 53 38.660 40.083 -1.423 1
1 649 . 2 1 1 A 53 53 ASN N N 53 122.737 123.079 -0.342 1
1 651 . 2 1 1 A 54 54 ASN HA H 54 4.420 4.998 -0.578 1
1 656 . 2 1 1 A 54 54 ASN C C 54 176.154 175.371 0.783 1
1 657 . 2 1 1 A 54 54 ASN CA C 54 55.580 54.762 0.818 1
1 658 . 2 1 1 A 54 54 ASN CB C 54 36.917 40.061 -3.144 1
1 660 . 2 1 1 A 55 55 LYS H H 55 8.190 8.626 -0.436 1
1 661 . 2 1 1 A 55 55 LYS HA H 55 4.225 4.387 -0.162 1
1 670 . 2 1 1 A 55 55 LYS C C 55 176.154 175.673 0.481 1
1 671 . 2 1 1 A 55 55 LYS CA C 55 55.113 55.496 -0.383 1
1 672 . 2 1 1 A 55 55 LYS CB C 55 31.703 32.710 -1.007 1
1 676 . 2 1 1 A 55 55 LYS N N 55 117.935 118.424 -0.489 1
1 677 . 2 1 1 A 56 56 GLY H H 56 7.966 7.283 0.683 1
1 678 . 2 1 1 A 56 56 GLY HA2 H 56 4.496 4.082 0.414 1
1 679 . 2 1 1 A 56 56 GLY HA3 H 56 3.794 4.084 -0.290 1
1 680 . 2 1 1 A 56 56 GLY C C 56 173.262 171.863 1.399 1
1 681 . 2 1 1 A 56 56 GLY CA C 56 44.177 45.192 -1.015 1
1 682 . 2 1 1 A 56 56 GLY N N 56 108.898 107.647 1.251 1
1 683 . 2 1 1 A 57 57 LEU H H 57 8.716 8.641 0.075 1
1 684 . 2 1 1 A 57 57 LEU HA H 57 4.442 4.576 -0.134 1
1 694 . 2 1 1 A 57 57 LEU C C 57 178.488 175.296 3.192 1
1 695 . 2 1 1 A 57 57 LEU CA C 57 56.424 55.185 1.239 1
1 696 . 2 1 1 A 57 57 LEU CB C 57 42.582 42.340 0.242 1
1 700 . 2 1 1 A 57 57 LEU N N 57 122.286 123.120 -0.834 1
1 701 . 2 1 1 A 58 58 SER H H 58 9.033 8.782 0.251 1
1 702 . 2 1 1 A 58 58 SER HA H 58 5.696 4.892 0.804 1
1 705 . 2 1 1 A 58 58 SER C C 58 173.820 172.355 1.465 1
1 706 . 2 1 1 A 58 58 SER CA C 58 56.715 57.734 -1.019 1
1 707 . 2 1 1 A 58 58 SER CB C 58 65.779 67.322 -1.543 1
1 708 . 2 1 1 A 58 58 SER N N 58 117.913 116.125 1.788 1
1 709 . 2 1 1 A 59 59 ALA H H 59 8.775 8.150 0.625 1
1 710 . 2 1 1 A 59 59 ALA HA H 59 5.409 5.211 0.198 1
1 714 . 2 1 1 A 59 59 ALA C C 59 174.966 175.534 -0.568 1
1 715 . 2 1 1 A 59 59 ALA CA C 59 50.783 50.525 0.258 1
1 716 . 2 1 1 A 59 59 ALA CB C 59 23.985 23.485 0.500 1
1 717 . 2 1 1 A 59 59 ALA N N 59 125.556 123.029 2.527 1
1 718 . 2 1 1 A 60 60 TYR H H 60 9.347 7.885 1.462 1
1 719 . 2 1 1 A 60 60 TYR HA H 60 5.030 5.069 -0.039 1
1 726 . 2 1 1 A 60 60 TYR C C 60 171.673 174.132 -2.459 1
1 727 . 2 1 1 A 60 60 TYR CA C 60 55.484 55.991 -0.507 1
1 728 . 2 1 1 A 60 60 TYR CB C 60 39.502 41.128 -1.626 1
1 731 . 2 1 1 A 60 60 TYR N N 60 118.946 116.629 2.317 1
1 732 . 2 1 1 A 61 61 ALA H H 61 9.176 8.709 0.467 1
1 733 . 2 1 1 A 61 61 ALA HA H 61 4.116 3.986 0.130 1
1 737 . 2 1 1 A 61 61 ALA C C 61 175.825 176.751 -0.926 1
1 738 . 2 1 1 A 61 61 ALA CA C 61 52.809 53.042 -0.233 1
1 739 . 2 1 1 A 61 61 ALA CB C 61 16.597 17.522 -0.925 1
1 740 . 2 1 1 A 61 61 ALA N N 61 124.113 120.739 3.374 1
1 741 . 2 1 1 A 62 62 VAL H H 62 7.968 7.629 0.339 1
1 742 . 2 1 1 A 62 62 VAL HA H 62 4.300 4.610 -0.310 1
1 750 . 2 1 1 A 62 62 VAL C C 62 175.395 175.389 0.006 1
1 751 . 2 1 1 A 62 62 VAL CA C 62 62.252 62.817 -0.565 1
1 752 . 2 1 1 A 62 62 VAL CB C 62 31.435 32.041 -0.606 1
1 755 . 2 1 1 A 62 62 VAL N N 62 116.561 118.570 -2.009 1
1 756 . 2 1 1 A 63 63 LYS H H 63 9.208 9.169 0.039 1
1 757 . 2 1 1 A 63 63 LYS HA H 63 4.633 5.070 -0.437 1
1 766 . 2 1 1 A 63 63 LYS C C 63 175.238 175.701 -0.463 1
1 767 . 2 1 1 A 63 63 LYS CA C 63 54.729 55.438 -0.709 1
1 768 . 2 1 1 A 63 63 LYS CB C 63 34.859 33.293 1.566 1
1 772 . 2 1 1 A 63 63 LYS N N 63 128.892 128.027 0.865 1
1 773 . 2 1 1 A 64 64 VAL H H 64 9.588 9.246 0.342 1
1 774 . 2 1 1 A 64 64 VAL HA H 64 4.345 4.118 0.227 1
1 782 . 2 1 1 A 64 64 VAL C C 64 176.856 175.568 1.288 1
1 783 . 2 1 1 A 64 64 VAL CA C 64 62.563 62.905 -0.342 1
1 784 . 2 1 1 A 64 64 VAL CB C 64 30.916 31.935 -1.019 1
1 787 . 2 1 1 A 64 64 VAL N N 64 126.595 125.373 1.222 1
1 788 . 2 1 1 A 65 65 VAL H H 65 8.597 9.116 -0.519 1
1 789 . 2 1 1 A 65 65 VAL HA H 65 4.370 4.679 -0.309 1
1 797 . 2 1 1 A 65 65 VAL CA C 65 62.480 59.321 3.159 1
1 798 . 2 1 1 A 65 65 VAL CB C 65 32.436 32.222 0.214 1
1 801 . 2 1 1 A 65 65 VAL N N 65 127.945 127.737 0.208 1
1 802 . 2 1 1 A 66 66 PRO HA H 66 4.385 4.621 -0.236 1
1 809 . 2 1 1 A 66 66 PRO C C 66 176.627 177.037 -0.410 1
1 810 . 2 1 1 A 66 66 PRO CA C 66 62.511 62.160 0.351 1
1 811 . 2 1 1 A 66 66 PRO CB C 66 31.875 32.824 -0.949 1
1 814 . 2 1 1 A 67 67 LEU H H 67 8.236 8.706 -0.470 1
1 815 . 2 1 1 A 67 67 LEU HA H 67 4.181 4.450 -0.269 1
1 825 . 2 1 1 A 67 67 LEU C C 67 177.357 176.149 1.208 1
1 826 . 2 1 1 A 67 67 LEU CA C 67 55.352 54.794 0.558 1
1 827 . 2 1 1 A 67 67 LEU CB C 67 42.355 41.456 0.899 1
1 831 . 2 1 1 A 67 67 LEU N N 67 122.691 120.174 2.517 1
1 832 . 2 1 1 A 68 68 GLU H H 68 8.432 7.805 0.627 1
1 833 . 2 1 1 A 68 68 GLU HA H 68 4.184 4.472 -0.288 1
1 838 . 2 1 1 A 68 68 GLU C C 68 176.054 176.068 -0.014 1
1 839 . 2 1 1 A 68 68 GLU CA C 68 56.250 55.282 0.968 1
1 840 . 2 1 1 A 68 68 GLU CB C 68 30.077 30.081 -0.004 1
1 842 . 2 1 1 A 68 68 GLU N N 68 121.298 119.924 1.374 1
1 843 . 2 1 1 A 69 69 HIS H H 69 8.303 8.739 -0.436 1
1 844 . 2 1 1 A 69 69 HIS HA H 69 4.517 4.178 0.339 1
1 849 . 2 1 1 A 69 69 HIS C C 69 173.863 175.466 -1.603 1
1 850 . 2 1 1 A 69 69 HIS CA C 69 55.663 58.578 -2.915 1
1 851 . 2 1 1 A 69 69 HIS CB C 69 29.904 28.599 1.305 1
1 1 . 3 1 1 A 2 2 ALA HA H 2 3.908 4.810 -0.902 1
1 5 . 3 1 1 A 2 2 ALA C C 2 174.665 177.359 -2.694 1
1 6 . 3 1 1 A 2 2 ALA CA C 2 51.696 52.126 -0.430 1
1 7 . 3 1 1 A 2 2 ALA CB C 2 19.380 19.125 0.255 1
1 8 . 3 1 1 A 3 3 MET H H 3 8.516 8.633 -0.117 1
1 9 . 3 1 1 A 3 3 MET HA H 3 4.349 4.895 -0.546 1
1 17 . 3 1 1 A 3 3 MET C C 3 173.119 175.430 -2.311 1
1 18 . 3 1 1 A 3 3 MET CA C 3 54.457 53.790 0.667 1
1 19 . 3 1 1 A 3 3 MET CB C 3 37.020 34.349 2.671 1
1 22 . 3 1 1 A 3 3 MET N N 3 118.958 122.532 -3.574 1
1 23 . 3 1 1 A 4 4 ASN H H 4 8.627 8.649 -0.022 1
1 24 . 3 1 1 A 4 4 ASN HA H 4 5.470 5.364 0.106 1
1 29 . 3 1 1 A 4 4 ASN C C 4 175.782 175.287 0.495 1
1 30 . 3 1 1 A 4 4 ASN CA C 4 52.043 52.090 -0.047 1
1 31 . 3 1 1 A 4 4 ASN CB C 4 41.102 39.736 1.366 1
1 32 . 3 1 1 A 4 4 ASN N N 4 116.608 118.205 -1.597 1
1 34 . 3 1 1 A 5 5 GLY H H 5 8.444 8.777 -0.333 1
1 35 . 3 1 1 A 5 5 GLY HA2 H 5 4.652 4.448 0.204 1
1 36 . 3 1 1 A 5 5 GLY HA3 H 5 3.710 4.715 -1.005 1
1 37 . 3 1 1 A 5 5 GLY C C 5 171.487 171.725 -0.238 1
1 38 . 3 1 1 A 5 5 GLY CA C 5 46.682 45.373 1.309 1
1 39 . 3 1 1 A 5 5 GLY N N 5 104.747 107.833 -3.086 1
1 40 . 3 1 1 A 6 6 THR H H 6 8.303 9.649 -1.346 1
1 41 . 3 1 1 A 6 6 THR HA H 6 5.193 5.162 0.031 1
1 46 . 3 1 1 A 6 6 THR C C 6 173.634 174.715 -1.081 1
1 47 . 3 1 1 A 6 6 THR CA C 6 60.367 61.272 -0.905 1
1 48 . 3 1 1 A 6 6 THR CB C 6 72.071 70.412 1.659 1
1 50 . 3 1 1 A 6 6 THR N N 6 114.893 115.632 -0.739 1
1 51 . 3 1 1 A 7 7 ILE H H 7 8.887 9.215 -0.328 1
1 52 . 3 1 1 A 7 7 ILE HA H 7 4.189 3.950 0.239 1
1 62 . 3 1 1 A 7 7 ILE C C 7 175.782 175.686 0.096 1
1 63 . 3 1 1 A 7 7 ILE CA C 7 62.394 62.338 0.056 1
1 64 . 3 1 1 A 7 7 ILE CB C 7 37.461 36.892 0.569 1
1 68 . 3 1 1 A 7 7 ILE N N 7 125.014 127.367 -2.353 1
1 69 . 3 1 1 A 8 8 THR H H 8 8.968 8.788 0.180 1
1 70 . 3 1 1 A 8 8 THR HA H 8 4.583 4.422 0.161 1
1 75 . 3 1 1 A 8 8 THR C C 8 175.352 174.565 0.787 1
1 76 . 3 1 1 A 8 8 THR CA C 8 62.547 63.163 -0.616 1
1 77 . 3 1 1 A 8 8 THR CB C 8 69.324 69.696 -0.372 1
1 79 . 3 1 1 A 8 8 THR N N 8 123.264 122.551 0.713 1
1 80 . 3 1 1 A 9 9 THR H H 9 7.744 7.960 -0.216 1
1 81 . 3 1 1 A 9 9 THR HA H 9 4.408 5.033 -0.625 1
1 86 . 3 1 1 A 9 9 THR C C 9 171.759 172.311 -0.552 1
1 87 . 3 1 1 A 9 9 THR CA C 9 61.370 61.724 -0.354 1
1 88 . 3 1 1 A 9 9 THR CB C 9 72.472 73.079 -0.607 1
1 90 . 3 1 1 A 9 9 THR N N 9 116.608 112.076 4.532 1
1 91 . 3 1 1 A 10 10 TRP H H 10 8.620 8.589 0.031 1
1 92 . 3 1 1 A 10 10 TRP HA H 10 4.844 5.218 -0.374 1
1 101 . 3 1 1 A 10 10 TRP C C 10 172.833 174.322 -1.489 1
1 102 . 3 1 1 A 10 10 TRP CA C 10 55.471 55.569 -0.098 1
1 103 . 3 1 1 A 10 10 TRP CB C 10 32.843 32.691 0.152 1
1 109 . 3 1 1 A 10 10 TRP N N 10 126.095 127.589 -1.494 1
1 111 . 3 1 1 A 11 11 PHE H H 11 7.892 8.716 -0.824 1
1 112 . 3 1 1 A 11 11 PHE HA H 11 4.508 4.672 -0.164 1
1 120 . 3 1 1 A 11 11 PHE C C 11 174.493 175.316 -0.823 1
1 121 . 3 1 1 A 11 11 PHE CA C 11 54.001 56.157 -2.156 1
1 122 . 3 1 1 A 11 11 PHE CB C 11 36.906 38.289 -1.383 1
1 126 . 3 1 1 A 11 11 PHE N N 11 127.953 126.692 1.261 1
1 127 . 3 1 1 A 12 12 LYS H H 12 7.844 7.940 -0.096 1
1 128 . 3 1 1 A 12 12 LYS HA H 12 2.844 3.207 -0.363 1
1 137 . 3 1 1 A 12 12 LYS C C 12 177.701 177.934 -0.233 1
1 138 . 3 1 1 A 12 12 LYS CA C 12 59.164 59.346 -0.182 1
1 139 . 3 1 1 A 12 12 LYS CB C 12 32.427 32.365 0.062 1
1 143 . 3 1 1 A 12 12 LYS N N 12 125.042 124.832 0.210 1
1 144 . 3 1 1 A 13 13 ASP H H 13 8.638 8.220 0.418 1
1 145 . 3 1 1 A 13 13 ASP HA H 13 4.281 4.472 -0.191 1
1 148 . 3 1 1 A 13 13 ASP C C 13 176.827 178.047 -1.220 1
1 149 . 3 1 1 A 13 13 ASP CA C 13 55.401 55.894 -0.493 1
1 150 . 3 1 1 A 13 13 ASP CB C 13 39.349 40.536 -1.187 1
1 151 . 3 1 1 A 13 13 ASP N N 13 114.668 119.443 -4.775 1
1 152 . 3 1 1 A 14 14 LYS H H 14 6.965 7.726 -0.761 1
1 153 . 3 1 1 A 14 14 LYS HA H 14 4.425 4.348 0.077 1
1 162 . 3 1 1 A 14 14 LYS C C 14 176.913 176.700 0.213 1
1 163 . 3 1 1 A 14 14 LYS CA C 14 55.288 57.182 -1.894 1
1 164 . 3 1 1 A 14 14 LYS CB C 14 34.562 33.372 1.190 1
1 168 . 3 1 1 A 14 14 LYS N N 14 116.507 118.720 -2.213 1
1 169 . 3 1 1 A 15 15 GLY H H 15 7.619 8.229 -0.610 1
1 170 . 3 1 1 A 15 15 GLY HA2 H 15 3.875 3.719 0.156 1
1 171 . 3 1 1 A 15 15 GLY HA3 H 15 3.499 3.777 -0.278 1
1 172 . 3 1 1 A 15 15 GLY C C 15 171.358 174.063 -2.705 1
1 173 . 3 1 1 A 15 15 GLY CA C 15 46.020 45.022 0.998 1
1 174 . 3 1 1 A 15 15 GLY N N 15 107.093 107.533 -0.440 1
1 175 . 3 1 1 A 16 16 PHE H H 16 6.663 8.079 -1.416 1
1 176 . 3 1 1 A 16 16 PHE HA H 16 4.866 5.425 -0.559 1
1 183 . 3 1 1 A 16 16 PHE C C 16 171.472 175.335 -3.863 1
1 184 . 3 1 1 A 16 16 PHE CA C 16 54.765 56.846 -2.081 1
1 185 . 3 1 1 A 16 16 PHE CB C 16 41.805 42.831 -1.026 1
1 188 . 3 1 1 A 16 16 PHE N N 16 112.369 119.576 -7.207 1
1 189 . 3 1 1 A 17 17 GLY H H 17 7.436 8.295 -0.859 1
1 190 . 3 1 1 A 17 17 GLY HA2 H 17 3.951 4.376 -0.425 1
1 191 . 3 1 1 A 17 17 GLY HA3 H 17 3.399 4.584 -1.185 1
1 192 . 3 1 1 A 17 17 GLY C C 17 169.926 171.409 -1.483 1
1 193 . 3 1 1 A 17 17 GLY CA C 17 45.073 45.862 -0.789 1
1 194 . 3 1 1 A 17 17 GLY N N 17 105.719 108.252 -2.533 1
1 195 . 3 1 1 A 18 18 PHE H H 18 8.505 9.123 -0.618 1
1 196 . 3 1 1 A 18 18 PHE HA H 18 5.728 5.663 0.065 1
1 204 . 3 1 1 A 18 18 PHE C C 18 175.023 175.141 -0.118 1
1 205 . 3 1 1 A 18 18 PHE CA C 18 56.493 55.967 0.526 1
1 206 . 3 1 1 A 18 18 PHE CB C 18 43.783 42.021 1.762 1
1 210 . 3 1 1 A 18 18 PHE N N 18 113.767 118.794 -5.027 1
1 211 . 3 1 1 A 19 19 ILE H H 19 9.615 8.783 0.832 1
1 212 . 3 1 1 A 19 19 ILE HA H 19 4.679 4.726 -0.047 1
1 222 . 3 1 1 A 19 19 ILE C C 19 174.894 175.015 -0.121 1
1 223 . 3 1 1 A 19 19 ILE CA C 19 58.585 60.216 -1.631 1
1 224 . 3 1 1 A 19 19 ILE CB C 19 43.854 41.330 2.524 1
1 228 . 3 1 1 A 19 19 ILE N N 19 122.746 122.703 0.043 1
1 229 . 3 1 1 A 20 20 LYS H H 20 8.971 8.532 0.439 1
1 230 . 3 1 1 A 20 20 LYS HA H 20 5.241 4.873 0.368 1
1 239 . 3 1 1 A 20 20 LYS C C 20 177.413 176.064 1.349 1
1 240 . 3 1 1 A 20 20 LYS CA C 20 54.622 55.810 -1.188 1
1 241 . 3 1 1 A 20 20 LYS CB C 20 33.070 33.213 -0.143 1
1 245 . 3 1 1 A 20 20 LYS N N 20 127.450 128.809 -1.359 1
1 246 . 3 1 1 A 21 21 ASP H H 21 9.363 8.417 0.946 1
1 247 . 3 1 1 A 21 21 ASP HA H 21 5.241 5.149 0.092 1
1 250 . 3 1 1 A 21 21 ASP C C 21 178.431 177.049 1.382 1
1 251 . 3 1 1 A 21 21 ASP CA C 21 52.981 52.386 0.595 1
1 252 . 3 1 1 A 21 21 ASP CB C 21 44.583 41.876 2.707 1
1 253 . 3 1 1 A 21 21 ASP N N 21 129.797 126.560 3.237 1
1 254 . 3 1 1 A 22 22 GLU H H 22 8.127 8.508 -0.381 1
1 255 . 3 1 1 A 22 22 GLU HA H 22 4.264 4.122 0.142 1
1 260 . 3 1 1 A 22 22 GLU C C 22 176.226 177.921 -1.695 1
1 261 . 3 1 1 A 22 22 GLU CA C 22 57.515 59.055 -1.540 1
1 262 . 3 1 1 A 22 22 GLU CB C 22 29.830 29.488 0.342 1
1 264 . 3 1 1 A 22 22 GLU N N 22 115.545 119.612 -4.067 1
1 265 . 3 1 1 A 23 23 ASN H H 23 8.606 8.110 0.496 1
1 266 . 3 1 1 A 23 23 ASN HA H 23 4.963 4.633 0.330 1
1 271 . 3 1 1 A 23 23 ASN C C 23 175.582 177.676 -2.094 1
1 272 . 3 1 1 A 23 23 ASN CA C 23 52.968 55.614 -2.646 1
1 273 . 3 1 1 A 23 23 ASN CB C 23 39.172 39.117 0.055 1
1 274 . 3 1 1 A 23 23 ASN N N 23 118.707 117.876 0.831 1
1 276 . 3 1 1 A 24 24 GLY H H 24 8.451 8.644 -0.193 1
1 277 . 3 1 1 A 24 24 GLY HA2 H 24 4.323 4.019 0.304 1
1 278 . 3 1 1 A 24 24 GLY HA3 H 24 3.484 4.038 -0.554 1
1 279 . 3 1 1 A 24 24 GLY C C 24 174.121 173.481 0.640 1
1 280 . 3 1 1 A 24 24 GLY CA C 24 44.816 44.997 -0.181 1
1 281 . 3 1 1 A 24 24 GLY N N 24 108.999 107.677 1.322 1
1 282 . 3 1 1 A 25 25 ASP H H 25 8.326 7.569 0.757 1
1 283 . 3 1 1 A 25 25 ASP HA H 25 4.792 4.873 -0.081 1
1 286 . 3 1 1 A 25 25 ASP C C 25 173.047 174.590 -1.543 1
1 287 . 3 1 1 A 25 25 ASP CA C 25 54.677 52.847 1.830 1
1 288 . 3 1 1 A 25 25 ASP CB C 25 41.577 43.608 -2.031 1
1 289 . 3 1 1 A 25 25 ASP N N 25 121.814 119.834 1.980 1
1 290 . 3 1 1 A 26 26 ASN H H 26 8.503 8.654 -0.151 1
1 291 . 3 1 1 A 26 26 ASN HA H 26 5.607 5.268 0.339 1
1 296 . 3 1 1 A 26 26 ASN C C 26 175.496 175.121 0.375 1
1 297 . 3 1 1 A 26 26 ASN CA C 26 52.290 53.325 -1.035 1
1 298 . 3 1 1 A 26 26 ASN CB C 26 40.017 38.943 1.074 1
1 299 . 3 1 1 A 26 26 ASN N N 26 119.224 119.619 -0.395 1
1 301 . 3 1 1 A 27 27 ARG H H 27 9.884 8.880 1.004 1
1 302 . 3 1 1 A 27 27 ARG HA H 27 4.720 4.899 -0.179 1
1 309 . 3 1 1 A 27 27 ARG C C 27 174.665 175.941 -1.276 1
1 310 . 3 1 1 A 27 27 ARG CA C 27 54.314 55.029 -0.715 1
1 311 . 3 1 1 A 27 27 ARG CB C 27 33.562 32.529 1.033 1
1 314 . 3 1 1 A 27 27 ARG N N 27 122.242 124.188 -1.946 1
1 315 . 3 1 1 A 28 28 TYR H H 28 8.314 9.255 -0.941 1
1 316 . 3 1 1 A 28 28 TYR HA H 28 4.365 4.945 -0.580 1
1 323 . 3 1 1 A 28 28 TYR C C 28 174.765 175.617 -0.852 1
1 324 . 3 1 1 A 28 28 TYR CA C 28 58.102 57.501 0.601 1
1 325 . 3 1 1 A 28 28 TYR CB C 28 39.606 38.547 1.059 1
1 328 . 3 1 1 A 28 28 TYR N N 28 126.908 120.679 6.229 1
1 329 . 3 1 1 A 29 29 PHE H H 29 7.873 9.604 -1.731 1
1 330 . 3 1 1 A 29 29 PHE HA H 29 5.159 5.245 -0.086 1
1 338 . 3 1 1 A 29 29 PHE C C 29 169.840 175.110 -5.270 1
1 339 . 3 1 1 A 29 29 PHE CA C 29 56.025 57.014 -0.989 1
1 340 . 3 1 1 A 29 29 PHE CB C 29 42.454 41.882 0.572 1
1 344 . 3 1 1 A 29 29 PHE N N 29 124.137 123.313 0.824 1
1 345 . 3 1 1 A 30 30 HIS H H 30 8.255 8.709 -0.454 1
1 346 . 3 1 1 A 30 30 HIS HA H 30 4.819 5.481 -0.662 1
1 351 . 3 1 1 A 30 30 HIS C C 30 176.598 175.246 1.352 1
1 352 . 3 1 1 A 30 30 HIS CA C 30 55.040 56.793 -1.753 1
1 353 . 3 1 1 A 30 30 HIS CB C 30 35.066 33.044 2.022 1
1 356 . 3 1 1 A 30 30 HIS N N 30 119.922 121.678 -1.756 1
1 357 . 3 1 1 A 31 31 VAL H H 31 8.390 9.075 -0.685 1
1 358 . 3 1 1 A 31 31 VAL HA H 31 3.911 3.970 -0.059 1
1 366 . 3 1 1 A 31 31 VAL C C 31 176.713 176.939 -0.226 1
1 367 . 3 1 1 A 31 31 VAL CA C 31 65.423 65.443 -0.020 1
1 368 . 3 1 1 A 31 31 VAL CB C 31 32.354 31.809 0.545 1
1 371 . 3 1 1 A 31 31 VAL N N 31 126.977 125.624 1.353 1
1 372 . 3 1 1 A 32 32 ILE H H 32 10.207 7.594 2.613 1
1 373 . 3 1 1 A 32 32 ILE HA H 32 4.397 3.740 0.657 1
1 383 . 3 1 1 A 32 32 ILE C C 32 177.414 177.235 0.179 1
1 384 . 3 1 1 A 32 32 ILE CA C 32 63.601 62.943 0.658 1
1 385 . 3 1 1 A 32 32 ILE CB C 32 38.023 37.264 0.759 1
1 389 . 3 1 1 A 32 32 ILE N N 32 123.360 120.790 2.570 1
1 390 . 3 1 1 A 33 33 LYS H H 33 8.435 7.463 0.972 1
1 391 . 3 1 1 A 33 33 LYS HA H 33 4.734 4.419 0.315 1
1 400 . 3 1 1 A 33 33 LYS C C 33 175.037 175.791 -0.754 1
1 401 . 3 1 1 A 33 33 LYS CA C 33 54.046 56.169 -2.123 1
1 402 . 3 1 1 A 33 33 LYS CB C 33 31.743 33.087 -1.344 1
1 406 . 3 1 1 A 33 33 LYS N N 33 118.502 119.544 -1.042 1
1 407 . 3 1 1 A 34 34 VAL H H 34 7.750 7.719 0.031 1
1 408 . 3 1 1 A 34 34 VAL HA H 34 4.672 4.308 0.364 1
1 416 . 3 1 1 A 34 34 VAL C C 34 175.911 176.064 -0.153 1
1 417 . 3 1 1 A 34 34 VAL CA C 34 60.255 62.741 -2.486 1
1 418 . 3 1 1 A 34 34 VAL CB C 34 32.064 32.461 -0.397 1
1 421 . 3 1 1 A 34 34 VAL N N 34 120.487 121.023 -0.536 1
1 422 . 3 1 1 A 35 35 ALA H H 35 9.109 8.834 0.275 1
1 423 . 3 1 1 A 35 35 ALA HA H 35 4.143 4.267 -0.124 1
1 427 . 3 1 1 A 35 35 ALA C C 35 177.887 177.848 0.039 1
1 428 . 3 1 1 A 35 35 ALA CA C 35 54.562 54.034 0.528 1
1 429 . 3 1 1 A 35 35 ALA CB C 35 18.880 19.451 -0.571 1
1 430 . 3 1 1 A 35 35 ALA N N 35 129.552 128.328 1.224 1
1 431 . 3 1 1 A 36 36 ASN H H 36 8.169 8.068 0.101 1
1 432 . 3 1 1 A 36 36 ASN HA H 36 5.108 5.093 0.015 1
1 437 . 3 1 1 A 36 36 ASN CA C 36 50.333 50.795 -0.462 1
1 438 . 3 1 1 A 36 36 ASN CB C 36 35.521 38.447 -2.926 1
1 439 . 3 1 1 A 36 36 ASN N N 36 112.302 114.432 -2.130 1
1 441 . 3 1 1 A 37 37 PRO HA H 37 3.891 4.245 -0.354 1
1 448 . 3 1 1 A 37 37 PRO C C 37 177.715 177.382 0.333 1
1 449 . 3 1 1 A 37 37 PRO CA C 37 64.104 64.308 -0.204 1
1 450 . 3 1 1 A 37 37 PRO CB C 37 32.380 31.961 0.419 1
1 453 . 3 1 1 A 38 38 ASP H H 38 8.843 8.334 0.509 1
1 454 . 3 1 1 A 38 38 ASP HA H 38 4.350 4.486 -0.136 1
1 457 . 3 1 1 A 38 38 ASP C C 38 176.942 177.388 -0.446 1
1 458 . 3 1 1 A 38 38 ASP CA C 38 56.035 56.521 -0.486 1
1 459 . 3 1 1 A 38 38 ASP CB C 38 39.249 40.682 -1.433 1
1 460 . 3 1 1 A 38 38 ASP N N 38 118.913 117.584 1.329 1
1 461 . 3 1 1 A 39 39 LEU H H 39 7.548 7.219 0.329 1
1 462 . 3 1 1 A 39 39 LEU HA H 39 4.268 4.217 0.051 1
1 472 . 3 1 1 A 39 39 LEU C C 39 176.727 176.570 0.157 1
1 473 . 3 1 1 A 39 39 LEU CA C 39 54.091 54.325 -0.234 1
1 474 . 3 1 1 A 39 39 LEU CB C 39 41.404 41.182 0.222 1
1 478 . 3 1 1 A 39 39 LEU N N 39 117.047 116.853 0.194 1
1 479 . 3 1 1 A 40 40 ILE H H 40 7.047 6.900 0.147 1
1 480 . 3 1 1 A 40 40 ILE HA H 40 2.710 3.760 -1.050 1
1 490 . 3 1 1 A 40 40 ILE C C 40 174.794 175.434 -0.640 1
1 491 . 3 1 1 A 40 40 ILE CA C 40 64.352 61.038 3.314 1
1 492 . 3 1 1 A 40 40 ILE CB C 40 37.301 36.859 0.442 1
1 496 . 3 1 1 A 40 40 ILE N N 40 118.412 121.173 -2.761 1
1 497 . 3 1 1 A 41 41 LYS H H 41 6.395 8.622 -2.227 1
1 498 . 3 1 1 A 41 41 LYS HA H 41 4.246 4.877 -0.631 1
1 507 . 3 1 1 A 41 41 LYS C C 41 174.422 175.036 -0.614 1
1 508 . 3 1 1 A 41 41 LYS CA C 41 54.521 54.047 0.474 1
1 509 . 3 1 1 A 41 41 LYS CB C 41 35.426 36.287 -0.861 1
1 513 . 3 1 1 A 41 41 LYS N N 41 122.843 126.732 -3.889 1
1 514 . 3 1 1 A 42 42 LYS H H 42 8.788 8.583 0.205 1
1 515 . 3 1 1 A 42 42 LYS HA H 42 3.603 3.907 -0.304 1
1 524 . 3 1 1 A 42 42 LYS C C 42 176.169 176.908 -0.739 1
1 525 . 3 1 1 A 42 42 LYS CA C 42 59.038 57.660 1.378 1
1 526 . 3 1 1 A 42 42 LYS CB C 42 31.981 32.654 -0.673 1
1 530 . 3 1 1 A 42 42 LYS N N 42 122.219 122.136 0.083 1
1 531 . 3 1 1 A 43 43 ASP H H 43 9.183 8.873 0.310 1
1 532 . 3 1 1 A 43 43 ASP HA H 43 4.191 4.243 -0.052 1
1 535 . 3 1 1 A 43 43 ASP C C 43 174.866 175.075 -0.209 1
1 536 . 3 1 1 A 43 43 ASP CA C 43 57.064 55.502 1.562 1
1 537 . 3 1 1 A 43 43 ASP CB C 43 38.724 40.466 -1.742 1
1 538 . 3 1 1 A 43 43 ASP N N 43 119.807 124.438 -4.631 1
1 539 . 3 1 1 A 44 44 ALA H H 44 7.669 7.345 0.324 1
1 540 . 3 1 1 A 44 44 ALA HA H 44 4.273 4.449 -0.176 1
1 544 . 3 1 1 A 44 44 ALA C C 44 176.197 176.699 -0.502 1
1 545 . 3 1 1 A 44 44 ALA CA C 44 52.503 51.852 0.651 1
1 546 . 3 1 1 A 44 44 ALA CB C 44 19.511 20.619 -1.108 1
1 547 . 3 1 1 A 44 44 ALA N N 44 121.785 121.757 0.028 1
1 548 . 3 1 1 A 45 45 ALA H H 45 8.522 8.474 0.048 1
1 549 . 3 1 1 A 45 45 ALA HA H 45 4.820 5.307 -0.487 1
1 553 . 3 1 1 A 45 45 ALA C C 45 177.128 176.991 0.137 1
1 554 . 3 1 1 A 45 45 ALA CA C 45 51.512 50.636 0.876 1
1 555 . 3 1 1 A 45 45 ALA CB C 45 19.306 20.899 -1.593 1
1 556 . 3 1 1 A 45 45 ALA N N 45 125.014 123.048 1.966 1
1 557 . 3 1 1 A 46 46 VAL H H 46 8.358 9.462 -1.104 1
1 558 . 3 1 1 A 46 46 VAL HA H 46 5.659 5.126 0.533 1
1 566 . 3 1 1 A 46 46 VAL C C 46 177.199 174.580 2.619 1
1 567 . 3 1 1 A 46 46 VAL CA C 46 57.919 59.380 -1.461 1
1 568 . 3 1 1 A 46 46 VAL CB C 46 36.362 35.909 0.453 1
1 571 . 3 1 1 A 46 46 VAL N N 46 109.774 116.174 -6.400 1
1 572 . 3 1 1 A 47 47 THR H H 47 8.902 9.511 -0.609 1
1 573 . 3 1 1 A 47 47 THR HA H 47 5.462 5.532 -0.070 1
1 578 . 3 1 1 A 47 47 THR C C 47 173.405 173.695 -0.290 1
1 579 . 3 1 1 A 47 47 THR CA C 47 60.139 59.916 0.223 1
1 580 . 3 1 1 A 47 47 THR CB C 47 71.233 71.331 -0.098 1
1 582 . 3 1 1 A 47 47 THR N N 47 112.758 113.439 -0.681 1
1 583 . 3 1 1 A 48 48 PHE H H 48 8.423 8.347 0.076 1
1 584 . 3 1 1 A 48 48 PHE HA H 48 5.099 5.247 -0.148 1
1 591 . 3 1 1 A 48 48 PHE C C 48 172.231 172.354 -0.123 1
1 592 . 3 1 1 A 48 48 PHE CA C 48 56.390 55.738 0.652 1
1 593 . 3 1 1 A 48 48 PHE CB C 48 41.169 41.201 -0.032 1
1 596 . 3 1 1 A 48 48 PHE N N 48 115.866 118.488 -2.622 1
1 597 . 3 1 1 A 49 49 GLU H H 49 8.622 8.799 -0.177 1
1 598 . 3 1 1 A 49 49 GLU HA H 49 4.907 4.896 0.011 1
1 603 . 3 1 1 A 49 49 GLU CA C 49 51.497 53.509 -2.012 1
1 604 . 3 1 1 A 49 49 GLU CB C 49 28.890 30.450 -1.560 1
1 606 . 3 1 1 A 49 49 GLU N N 49 117.484 119.956 -2.472 1
1 607 . 3 1 1 A 50 50 PRO HA H 50 4.829 5.042 -0.213 1
1 614 . 3 1 1 A 50 50 PRO C C 50 175.925 175.200 0.725 1
1 615 . 3 1 1 A 50 50 PRO CA C 50 62.593 62.398 0.195 1
1 616 . 3 1 1 A 50 50 PRO CB C 50 32.917 32.034 0.883 1
1 619 . 3 1 1 A 51 51 THR H H 51 7.621 8.315 -0.694 1
1 620 . 3 1 1 A 51 51 THR HA H 51 4.742 4.852 -0.110 1
1 625 . 3 1 1 A 51 51 THR C C 51 172.074 171.938 0.136 1
1 626 . 3 1 1 A 51 51 THR CA C 51 60.558 60.332 0.226 1
1 627 . 3 1 1 A 51 51 THR CB C 51 68.841 69.870 -1.029 1
1 629 . 3 1 1 A 51 51 THR N N 51 112.909 117.007 -4.098 1
1 630 . 3 1 1 A 52 52 THR H H 52 8.367 8.437 -0.070 1
1 631 . 3 1 1 A 52 52 THR HA H 52 4.975 4.977 -0.002 1
1 636 . 3 1 1 A 52 52 THR C C 52 173.047 173.838 -0.791 1
1 637 . 3 1 1 A 52 52 THR CA C 52 60.794 60.737 0.057 1
1 638 . 3 1 1 A 52 52 THR CB C 52 71.210 72.997 -1.787 1
1 640 . 3 1 1 A 52 52 THR N N 52 117.260 116.563 0.697 1
1 641 . 3 1 1 A 53 53 ASN H H 53 8.827 8.624 0.203 1
1 642 . 3 1 1 A 53 53 ASN HA H 53 4.756 4.913 -0.157 1
1 647 . 3 1 1 A 53 53 ASN CA C 53 53.430 54.312 -0.882 1
1 648 . 3 1 1 A 53 53 ASN CB C 53 38.660 39.514 -0.854 1
1 649 . 3 1 1 A 53 53 ASN N N 53 122.737 121.626 1.111 1
1 651 . 3 1 1 A 54 54 ASN HA H 54 4.420 4.999 -0.579 1
1 656 . 3 1 1 A 54 54 ASN C C 54 176.154 176.033 0.121 1
1 657 . 3 1 1 A 54 54 ASN CA C 54 55.580 54.827 0.753 1
1 658 . 3 1 1 A 54 54 ASN CB C 54 36.917 39.998 -3.081 1
1 660 . 3 1 1 A 55 55 LYS H H 55 8.190 8.359 -0.169 1
1 661 . 3 1 1 A 55 55 LYS HA H 55 4.225 4.274 -0.049 1
1 670 . 3 1 1 A 55 55 LYS C C 55 176.154 176.030 0.124 1
1 671 . 3 1 1 A 55 55 LYS CA C 55 55.113 56.340 -1.227 1
1 672 . 3 1 1 A 55 55 LYS CB C 55 31.703 32.521 -0.818 1
1 676 . 3 1 1 A 55 55 LYS N N 55 117.935 118.483 -0.548 1
1 677 . 3 1 1 A 56 56 GLY H H 56 7.966 7.425 0.541 1
1 678 . 3 1 1 A 56 56 GLY HA2 H 56 4.496 4.137 0.359 1
1 679 . 3 1 1 A 56 56 GLY HA3 H 56 3.794 4.198 -0.404 1
1 680 . 3 1 1 A 56 56 GLY C C 56 173.262 171.653 1.609 1
1 681 . 3 1 1 A 56 56 GLY CA C 56 44.177 45.663 -1.486 1
1 682 . 3 1 1 A 56 56 GLY N N 56 108.898 106.025 2.873 1
1 683 . 3 1 1 A 57 57 LEU H H 57 8.716 8.720 -0.004 1
1 684 . 3 1 1 A 57 57 LEU HA H 57 4.442 4.520 -0.078 1
1 694 . 3 1 1 A 57 57 LEU C C 57 178.488 175.156 3.332 1
1 695 . 3 1 1 A 57 57 LEU CA C 57 56.424 54.851 1.573 1
1 696 . 3 1 1 A 57 57 LEU CB C 57 42.582 42.557 0.025 1
1 700 . 3 1 1 A 57 57 LEU N N 57 122.286 122.856 -0.570 1
1 701 . 3 1 1 A 58 58 SER H H 58 9.033 8.442 0.591 1
1 702 . 3 1 1 A 58 58 SER HA H 58 5.696 5.019 0.677 1
1 705 . 3 1 1 A 58 58 SER C C 58 173.820 171.880 1.940 1
1 706 . 3 1 1 A 58 58 SER CA C 58 56.715 57.655 -0.940 1
1 707 . 3 1 1 A 58 58 SER CB C 58 65.779 66.961 -1.182 1
1 708 . 3 1 1 A 58 58 SER N N 58 117.913 114.800 3.113 1
1 709 . 3 1 1 A 59 59 ALA H H 59 8.775 7.712 1.063 1
1 710 . 3 1 1 A 59 59 ALA HA H 59 5.409 5.065 0.344 1
1 714 . 3 1 1 A 59 59 ALA C C 59 174.966 174.902 0.064 1
1 715 . 3 1 1 A 59 59 ALA CA C 59 50.783 50.028 0.755 1
1 716 . 3 1 1 A 59 59 ALA CB C 59 23.985 22.725 1.260 1
1 717 . 3 1 1 A 59 59 ALA N N 59 125.556 122.759 2.797 1
1 718 . 3 1 1 A 60 60 TYR H H 60 9.347 8.535 0.812 1
1 719 . 3 1 1 A 60 60 TYR HA H 60 5.030 4.939 0.091 1
1 726 . 3 1 1 A 60 60 TYR C C 60 171.673 175.141 -3.468 1
1 727 . 3 1 1 A 60 60 TYR CA C 60 55.484 57.105 -1.621 1
1 728 . 3 1 1 A 60 60 TYR CB C 60 39.502 41.912 -2.410 1
1 731 . 3 1 1 A 60 60 TYR N N 60 118.946 117.853 1.093 1
1 732 . 3 1 1 A 61 61 ALA H H 61 9.176 8.608 0.568 1
1 733 . 3 1 1 A 61 61 ALA HA H 61 4.116 3.913 0.203 1
1 737 . 3 1 1 A 61 61 ALA C C 61 175.825 176.747 -0.922 1
1 738 . 3 1 1 A 61 61 ALA CA C 61 52.809 52.921 -0.112 1
1 739 . 3 1 1 A 61 61 ALA CB C 61 16.597 17.428 -0.831 1
1 740 . 3 1 1 A 61 61 ALA N N 61 124.113 121.522 2.591 1
1 741 . 3 1 1 A 62 62 VAL H H 62 7.968 8.300 -0.332 1
1 742 . 3 1 1 A 62 62 VAL HA H 62 4.300 4.272 0.028 1
1 750 . 3 1 1 A 62 62 VAL C C 62 175.395 175.853 -0.458 1
1 751 . 3 1 1 A 62 62 VAL CA C 62 62.252 62.769 -0.517 1
1 752 . 3 1 1 A 62 62 VAL CB C 62 31.435 31.520 -0.085 1
1 755 . 3 1 1 A 62 62 VAL N N 62 116.561 118.242 -1.681 1
1 756 . 3 1 1 A 63 63 LYS H H 63 9.208 9.170 0.038 1
1 757 . 3 1 1 A 63 63 LYS HA H 63 4.633 4.807 -0.174 1
1 766 . 3 1 1 A 63 63 LYS C C 63 175.238 175.615 -0.377 1
1 767 . 3 1 1 A 63 63 LYS CA C 63 54.729 55.369 -0.640 1
1 768 . 3 1 1 A 63 63 LYS CB C 63 34.859 33.221 1.638 1
1 772 . 3 1 1 A 63 63 LYS N N 63 128.892 128.083 0.809 1
1 773 . 3 1 1 A 64 64 VAL H H 64 9.588 9.105 0.483 1
1 774 . 3 1 1 A 64 64 VAL HA H 64 4.345 4.146 0.199 1
1 782 . 3 1 1 A 64 64 VAL C C 64 176.856 175.483 1.373 1
1 783 . 3 1 1 A 64 64 VAL CA C 64 62.563 62.800 -0.237 1
1 784 . 3 1 1 A 64 64 VAL CB C 64 30.916 32.260 -1.344 1
1 787 . 3 1 1 A 64 64 VAL N N 64 126.595 125.519 1.076 1
1 788 . 3 1 1 A 65 65 VAL H H 65 8.597 8.743 -0.146 1
1 789 . 3 1 1 A 65 65 VAL HA H 65 4.370 4.591 -0.221 1
1 797 . 3 1 1 A 65 65 VAL CA C 65 62.480 59.322 3.158 1
1 798 . 3 1 1 A 65 65 VAL CB C 65 32.436 32.231 0.205 1
1 801 . 3 1 1 A 65 65 VAL N N 65 127.945 127.077 0.868 1
1 802 . 3 1 1 A 66 66 PRO HA H 66 4.385 4.668 -0.283 1
1 809 . 3 1 1 A 66 66 PRO C C 66 176.627 176.585 0.042 1
1 810 . 3 1 1 A 66 66 PRO CA C 66 62.511 62.573 -0.062 1
1 811 . 3 1 1 A 66 66 PRO CB C 66 31.875 32.270 -0.395 1
1 814 . 3 1 1 A 67 67 LEU H H 67 8.236 8.144 0.092 1
1 815 . 3 1 1 A 67 67 LEU HA H 67 4.181 4.368 -0.187 1
1 825 . 3 1 1 A 67 67 LEU C C 67 177.357 175.834 1.523 1
1 826 . 3 1 1 A 67 67 LEU CA C 67 55.352 54.551 0.801 1
1 827 . 3 1 1 A 67 67 LEU CB C 67 42.355 42.251 0.104 1
1 831 . 3 1 1 A 67 67 LEU N N 67 122.691 117.915 4.776 1
1 832 . 3 1 1 A 68 68 GLU H H 68 8.432 7.726 0.706 1
1 833 . 3 1 1 A 68 68 GLU HA H 68 4.184 4.571 -0.387 1
1 838 . 3 1 1 A 68 68 GLU C C 68 176.054 176.245 -0.191 1
1 839 . 3 1 1 A 68 68 GLU CA C 68 56.250 54.753 1.497 1
1 840 . 3 1 1 A 68 68 GLU CB C 68 30.077 31.481 -1.404 1
1 842 . 3 1 1 A 68 68 GLU N N 68 121.298 120.649 0.649 1
1 843 . 3 1 1 A 69 69 HIS H H 69 8.303 8.531 -0.228 1
1 844 . 3 1 1 A 69 69 HIS HA H 69 4.517 4.454 0.063 1
1 849 . 3 1 1 A 69 69 HIS C C 69 173.863 174.810 -0.947 1
1 850 . 3 1 1 A 69 69 HIS CA C 69 55.663 58.749 -3.086 1
1 851 . 3 1 1 A 69 69 HIS CB C 69 29.904 30.434 -0.530 1
1 1 . 4 1 1 A 2 2 ALA HA H 2 3.908 4.012 -0.104 1
1 5 . 4 1 1 A 2 2 ALA C C 2 174.665 175.755 -1.090 1
1 6 . 4 1 1 A 2 2 ALA CA C 2 51.696 54.423 -2.727 1
1 7 . 4 1 1 A 2 2 ALA CB C 2 19.380 17.894 1.486 1
1 8 . 4 1 1 A 3 3 MET H H 3 8.516 8.608 -0.092 1
1 9 . 4 1 1 A 3 3 MET HA H 3 4.349 5.216 -0.867 1
1 17 . 4 1 1 A 3 3 MET C C 3 173.119 175.879 -2.760 1
1 18 . 4 1 1 A 3 3 MET CA C 3 54.457 53.909 0.548 1
1 19 . 4 1 1 A 3 3 MET CB C 3 37.020 33.984 3.036 1
1 22 . 4 1 1 A 3 3 MET N N 3 118.958 118.754 0.204 1
1 23 . 4 1 1 A 4 4 ASN H H 4 8.627 8.599 0.028 1
1 24 . 4 1 1 A 4 4 ASN HA H 4 5.470 5.062 0.408 1
1 29 . 4 1 1 A 4 4 ASN C C 4 175.782 174.604 1.178 1
1 30 . 4 1 1 A 4 4 ASN CA C 4 52.043 51.603 0.440 1
1 31 . 4 1 1 A 4 4 ASN CB C 4 41.102 41.223 -0.121 1
1 32 . 4 1 1 A 4 4 ASN N N 4 116.608 117.464 -0.856 1
1 34 . 4 1 1 A 5 5 GLY H H 5 8.444 8.942 -0.498 1
1 35 . 4 1 1 A 5 5 GLY HA2 H 5 4.652 4.480 0.172 1
1 36 . 4 1 1 A 5 5 GLY HA3 H 5 3.710 4.706 -0.996 1
1 37 . 4 1 1 A 5 5 GLY C C 5 171.487 171.568 -0.081 1
1 38 . 4 1 1 A 5 5 GLY CA C 5 46.682 44.247 2.435 1
1 39 . 4 1 1 A 5 5 GLY N N 5 104.747 107.304 -2.557 1
1 40 . 4 1 1 A 6 6 THR H H 6 8.303 9.520 -1.217 1
1 41 . 4 1 1 A 6 6 THR HA H 6 5.193 5.113 0.080 1
1 46 . 4 1 1 A 6 6 THR C C 6 173.634 174.331 -0.697 1
1 47 . 4 1 1 A 6 6 THR CA C 6 60.367 61.335 -0.968 1
1 48 . 4 1 1 A 6 6 THR CB C 6 72.071 70.559 1.512 1
1 50 . 4 1 1 A 6 6 THR N N 6 114.893 115.766 -0.873 1
1 51 . 4 1 1 A 7 7 ILE H H 7 8.887 9.353 -0.466 1
1 52 . 4 1 1 A 7 7 ILE HA H 7 4.189 4.013 0.176 1
1 62 . 4 1 1 A 7 7 ILE C C 7 175.782 176.878 -1.096 1
1 63 . 4 1 1 A 7 7 ILE CA C 7 62.394 62.044 0.350 1
1 64 . 4 1 1 A 7 7 ILE CB C 7 37.461 37.362 0.099 1
1 68 . 4 1 1 A 7 7 ILE N N 7 125.014 127.269 -2.255 1
1 69 . 4 1 1 A 8 8 THR H H 8 8.968 8.590 0.378 1
1 70 . 4 1 1 A 8 8 THR HA H 8 4.583 4.534 0.049 1
1 75 . 4 1 1 A 8 8 THR C C 8 175.352 174.720 0.632 1
1 76 . 4 1 1 A 8 8 THR CA C 8 62.547 62.395 0.152 1
1 77 . 4 1 1 A 8 8 THR CB C 8 69.324 69.976 -0.652 1
1 79 . 4 1 1 A 8 8 THR N N 8 123.264 118.907 4.357 1
1 80 . 4 1 1 A 9 9 THR H H 9 7.744 7.774 -0.030 1
1 81 . 4 1 1 A 9 9 THR HA H 9 4.408 5.008 -0.600 1
1 86 . 4 1 1 A 9 9 THR C C 9 171.759 172.952 -1.193 1
1 87 . 4 1 1 A 9 9 THR CA C 9 61.370 61.432 -0.062 1
1 88 . 4 1 1 A 9 9 THR CB C 9 72.472 70.565 1.907 1
1 90 . 4 1 1 A 9 9 THR N N 9 116.608 114.361 2.247 1
1 91 . 4 1 1 A 10 10 TRP H H 10 8.620 8.552 0.068 1
1 92 . 4 1 1 A 10 10 TRP HA H 10 4.844 5.156 -0.312 1
1 101 . 4 1 1 A 10 10 TRP C C 10 172.833 174.292 -1.459 1
1 102 . 4 1 1 A 10 10 TRP CA C 10 55.471 55.259 0.212 1
1 103 . 4 1 1 A 10 10 TRP CB C 10 32.843 32.631 0.212 1
1 109 . 4 1 1 A 10 10 TRP N N 10 126.095 128.433 -2.338 1
1 111 . 4 1 1 A 11 11 PHE H H 11 7.892 8.387 -0.495 1
1 112 . 4 1 1 A 11 11 PHE HA H 11 4.508 4.518 -0.010 1
1 120 . 4 1 1 A 11 11 PHE C C 11 174.493 175.539 -1.046 1
1 121 . 4 1 1 A 11 11 PHE CA C 11 54.001 56.547 -2.546 1
1 122 . 4 1 1 A 11 11 PHE CB C 11 36.906 37.691 -0.785 1
1 126 . 4 1 1 A 11 11 PHE N N 11 127.953 125.993 1.960 1
1 127 . 4 1 1 A 12 12 LYS H H 12 7.844 8.284 -0.440 1
1 128 . 4 1 1 A 12 12 LYS HA H 12 2.844 3.679 -0.835 1
1 137 . 4 1 1 A 12 12 LYS C C 12 177.701 177.416 0.285 1
1 138 . 4 1 1 A 12 12 LYS CA C 12 59.164 59.848 -0.684 1
1 139 . 4 1 1 A 12 12 LYS CB C 12 32.427 32.320 0.107 1
1 143 . 4 1 1 A 12 12 LYS N N 12 125.042 125.674 -0.632 1
1 144 . 4 1 1 A 13 13 ASP H H 13 8.638 7.937 0.701 1
1 145 . 4 1 1 A 13 13 ASP HA H 13 4.281 4.379 -0.098 1
1 148 . 4 1 1 A 13 13 ASP C C 13 176.827 177.057 -0.230 1
1 149 . 4 1 1 A 13 13 ASP CA C 13 55.401 56.253 -0.852 1
1 150 . 4 1 1 A 13 13 ASP CB C 13 39.349 40.886 -1.537 1
1 151 . 4 1 1 A 13 13 ASP N N 13 114.668 118.804 -4.136 1
1 152 . 4 1 1 A 14 14 LYS H H 14 6.965 7.347 -0.382 1
1 153 . 4 1 1 A 14 14 LYS HA H 14 4.425 4.276 0.149 1
1 162 . 4 1 1 A 14 14 LYS C C 14 176.913 176.930 -0.017 1
1 163 . 4 1 1 A 14 14 LYS CA C 14 55.288 56.631 -1.343 1
1 164 . 4 1 1 A 14 14 LYS CB C 14 34.562 33.102 1.460 1
1 168 . 4 1 1 A 14 14 LYS N N 14 116.507 116.431 0.076 1
1 169 . 4 1 1 A 15 15 GLY H H 15 7.619 8.414 -0.795 1
1 170 . 4 1 1 A 15 15 GLY HA2 H 15 3.875 3.764 0.111 1
1 171 . 4 1 1 A 15 15 GLY HA3 H 15 3.499 3.939 -0.440 1
1 172 . 4 1 1 A 15 15 GLY C C 15 171.358 173.460 -2.102 1
1 173 . 4 1 1 A 15 15 GLY CA C 15 46.020 45.386 0.634 1
1 174 . 4 1 1 A 15 15 GLY N N 15 107.093 106.780 0.313 1
1 175 . 4 1 1 A 16 16 PHE H H 16 6.663 6.719 -0.056 1
1 176 . 4 1 1 A 16 16 PHE HA H 16 4.866 5.152 -0.286 1
1 183 . 4 1 1 A 16 16 PHE C C 16 171.472 173.313 -1.841 1
1 184 . 4 1 1 A 16 16 PHE CA C 16 54.765 54.948 -0.183 1
1 185 . 4 1 1 A 16 16 PHE CB C 16 41.805 41.886 -0.081 1
1 188 . 4 1 1 A 16 16 PHE N N 16 112.369 113.828 -1.459 1
1 189 . 4 1 1 A 17 17 GLY H H 17 7.436 8.297 -0.861 1
1 190 . 4 1 1 A 17 17 GLY HA2 H 17 3.951 4.131 -0.180 1
1 191 . 4 1 1 A 17 17 GLY HA3 H 17 3.399 4.406 -1.007 1
1 192 . 4 1 1 A 17 17 GLY C C 17 169.926 171.288 -1.362 1
1 193 . 4 1 1 A 17 17 GLY CA C 17 45.073 45.896 -0.823 1
1 194 . 4 1 1 A 17 17 GLY N N 17 105.719 106.220 -0.501 1
1 195 . 4 1 1 A 18 18 PHE H H 18 8.505 9.183 -0.678 1
1 196 . 4 1 1 A 18 18 PHE HA H 18 5.728 5.861 -0.133 1
1 204 . 4 1 1 A 18 18 PHE C C 18 175.023 174.982 0.041 1
1 205 . 4 1 1 A 18 18 PHE CA C 18 56.493 56.231 0.262 1
1 206 . 4 1 1 A 18 18 PHE CB C 18 43.783 42.828 0.955 1
1 210 . 4 1 1 A 18 18 PHE N N 18 113.767 118.648 -4.881 1
1 211 . 4 1 1 A 19 19 ILE H H 19 9.615 9.059 0.556 1
1 212 . 4 1 1 A 19 19 ILE HA H 19 4.679 4.782 -0.103 1
1 222 . 4 1 1 A 19 19 ILE C C 19 174.894 174.651 0.243 1
1 223 . 4 1 1 A 19 19 ILE CA C 19 58.585 59.619 -1.034 1
1 224 . 4 1 1 A 19 19 ILE CB C 19 43.854 41.791 2.063 1
1 228 . 4 1 1 A 19 19 ILE N N 19 122.746 122.986 -0.240 1
1 229 . 4 1 1 A 20 20 LYS H H 20 8.971 8.658 0.313 1
1 230 . 4 1 1 A 20 20 LYS HA H 20 5.241 4.799 0.442 1
1 239 . 4 1 1 A 20 20 LYS C C 20 177.413 176.359 1.054 1
1 240 . 4 1 1 A 20 20 LYS CA C 20 54.622 55.873 -1.251 1
1 241 . 4 1 1 A 20 20 LYS CB C 20 33.070 33.508 -0.438 1
1 245 . 4 1 1 A 20 20 LYS N N 20 127.450 126.838 0.612 1
1 246 . 4 1 1 A 21 21 ASP H H 21 9.363 8.301 1.062 1
1 247 . 4 1 1 A 21 21 ASP HA H 21 5.241 5.113 0.128 1
1 250 . 4 1 1 A 21 21 ASP C C 21 178.431 178.005 0.426 1
1 251 . 4 1 1 A 21 21 ASP CA C 21 52.981 52.774 0.207 1
1 252 . 4 1 1 A 21 21 ASP CB C 21 44.583 41.718 2.865 1
1 253 . 4 1 1 A 21 21 ASP N N 21 129.797 125.050 4.747 1
1 254 . 4 1 1 A 22 22 GLU H H 22 8.127 8.708 -0.581 1
1 255 . 4 1 1 A 22 22 GLU HA H 22 4.264 4.128 0.136 1
1 260 . 4 1 1 A 22 22 GLU C C 22 176.226 176.979 -0.753 1
1 261 . 4 1 1 A 22 22 GLU CA C 22 57.515 58.745 -1.230 1
1 262 . 4 1 1 A 22 22 GLU CB C 22 29.830 29.985 -0.155 1
1 264 . 4 1 1 A 22 22 GLU N N 22 115.545 118.025 -2.480 1
1 265 . 4 1 1 A 23 23 ASN H H 23 8.606 8.694 -0.088 1
1 266 . 4 1 1 A 23 23 ASN HA H 23 4.963 5.085 -0.122 1
1 271 . 4 1 1 A 23 23 ASN C C 23 175.582 177.486 -1.904 1
1 272 . 4 1 1 A 23 23 ASN CA C 23 52.968 54.385 -1.417 1
1 273 . 4 1 1 A 23 23 ASN CB C 23 39.172 40.997 -1.825 1
1 274 . 4 1 1 A 23 23 ASN N N 23 118.707 118.330 0.377 1
1 276 . 4 1 1 A 24 24 GLY H H 24 8.451 8.830 -0.379 1
1 277 . 4 1 1 A 24 24 GLY HA2 H 24 4.323 3.872 0.451 1
1 278 . 4 1 1 A 24 24 GLY HA3 H 24 3.484 3.890 -0.406 1
1 279 . 4 1 1 A 24 24 GLY C C 24 174.121 173.974 0.147 1
1 280 . 4 1 1 A 24 24 GLY CA C 24 44.816 46.072 -1.256 1
1 281 . 4 1 1 A 24 24 GLY N N 24 108.999 107.683 1.316 1
1 282 . 4 1 1 A 25 25 ASP H H 25 8.326 7.565 0.761 1
1 283 . 4 1 1 A 25 25 ASP HA H 25 4.792 4.852 -0.060 1
1 286 . 4 1 1 A 25 25 ASP C C 25 173.047 174.641 -1.594 1
1 287 . 4 1 1 A 25 25 ASP CA C 25 54.677 52.944 1.733 1
1 288 . 4 1 1 A 25 25 ASP CB C 25 41.577 43.516 -1.939 1
1 289 . 4 1 1 A 25 25 ASP N N 25 121.814 118.262 3.552 1
1 290 . 4 1 1 A 26 26 ASN H H 26 8.503 8.663 -0.160 1
1 291 . 4 1 1 A 26 26 ASN HA H 26 5.607 5.016 0.591 1
1 296 . 4 1 1 A 26 26 ASN C C 26 175.496 175.299 0.197 1
1 297 . 4 1 1 A 26 26 ASN CA C 26 52.290 53.254 -0.964 1
1 298 . 4 1 1 A 26 26 ASN CB C 26 40.017 38.822 1.195 1
1 299 . 4 1 1 A 26 26 ASN N N 26 119.224 118.762 0.462 1
1 301 . 4 1 1 A 27 27 ARG H H 27 9.884 9.122 0.762 1
1 302 . 4 1 1 A 27 27 ARG HA H 27 4.720 4.916 -0.196 1
1 309 . 4 1 1 A 27 27 ARG C C 27 174.665 174.994 -0.329 1
1 310 . 4 1 1 A 27 27 ARG CA C 27 54.314 54.643 -0.329 1
1 311 . 4 1 1 A 27 27 ARG CB C 27 33.562 32.766 0.796 1
1 314 . 4 1 1 A 27 27 ARG N N 27 122.242 123.584 -1.342 1
1 315 . 4 1 1 A 28 28 TYR H H 28 8.314 9.403 -1.089 1
1 316 . 4 1 1 A 28 28 TYR HA H 28 4.365 4.706 -0.341 1
1 323 . 4 1 1 A 28 28 TYR C C 28 174.765 174.291 0.474 1
1 324 . 4 1 1 A 28 28 TYR CA C 28 58.102 58.018 0.084 1
1 325 . 4 1 1 A 28 28 TYR CB C 28 39.606 38.902 0.704 1
1 328 . 4 1 1 A 28 28 TYR N N 28 126.908 124.569 2.339 1
1 329 . 4 1 1 A 29 29 PHE H H 29 7.873 9.260 -1.387 1
1 330 . 4 1 1 A 29 29 PHE HA H 29 5.159 5.183 -0.024 1
1 338 . 4 1 1 A 29 29 PHE C C 29 169.840 174.875 -5.035 1
1 339 . 4 1 1 A 29 29 PHE CA C 29 56.025 56.509 -0.484 1
1 340 . 4 1 1 A 29 29 PHE CB C 29 42.454 41.852 0.602 1
1 344 . 4 1 1 A 29 29 PHE N N 29 124.137 126.564 -2.427 1
1 345 . 4 1 1 A 30 30 HIS H H 30 8.255 8.790 -0.535 1
1 346 . 4 1 1 A 30 30 HIS HA H 30 4.819 5.261 -0.442 1
1 351 . 4 1 1 A 30 30 HIS C C 30 176.598 175.283 1.315 1
1 352 . 4 1 1 A 30 30 HIS CA C 30 55.040 56.225 -1.185 1
1 353 . 4 1 1 A 30 30 HIS CB C 30 35.066 33.494 1.572 1
1 356 . 4 1 1 A 30 30 HIS N N 30 119.922 120.883 -0.961 1
1 357 . 4 1 1 A 31 31 VAL H H 31 8.390 9.142 -0.752 1
1 358 . 4 1 1 A 31 31 VAL HA H 31 3.911 3.840 0.071 1
1 366 . 4 1 1 A 31 31 VAL C C 31 176.713 176.894 -0.181 1
1 367 . 4 1 1 A 31 31 VAL CA C 31 65.423 65.431 -0.008 1
1 368 . 4 1 1 A 31 31 VAL CB C 31 32.354 31.879 0.475 1
1 371 . 4 1 1 A 31 31 VAL N N 31 126.977 124.924 2.053 1
1 372 . 4 1 1 A 32 32 ILE H H 32 10.207 7.441 2.766 1
1 373 . 4 1 1 A 32 32 ILE HA H 32 4.397 3.704 0.693 1
1 383 . 4 1 1 A 32 32 ILE C C 32 177.414 177.222 0.192 1
1 384 . 4 1 1 A 32 32 ILE CA C 32 63.601 63.726 -0.125 1
1 385 . 4 1 1 A 32 32 ILE CB C 32 38.023 37.334 0.689 1
1 389 . 4 1 1 A 32 32 ILE N N 32 123.360 120.573 2.787 1
1 390 . 4 1 1 A 33 33 LYS H H 33 8.435 7.445 0.990 1
1 391 . 4 1 1 A 33 33 LYS HA H 33 4.734 4.478 0.256 1
1 400 . 4 1 1 A 33 33 LYS C C 33 175.037 175.156 -0.119 1
1 401 . 4 1 1 A 33 33 LYS CA C 33 54.046 55.782 -1.736 1
1 402 . 4 1 1 A 33 33 LYS CB C 33 31.743 32.852 -1.109 1
1 406 . 4 1 1 A 33 33 LYS N N 33 118.502 119.219 -0.717 1
1 407 . 4 1 1 A 34 34 VAL H H 34 7.750 7.496 0.254 1
1 408 . 4 1 1 A 34 34 VAL HA H 34 4.672 4.550 0.122 1
1 416 . 4 1 1 A 34 34 VAL C C 34 175.911 175.674 0.237 1
1 417 . 4 1 1 A 34 34 VAL CA C 34 60.255 61.005 -0.750 1
1 418 . 4 1 1 A 34 34 VAL CB C 34 32.064 34.123 -2.059 1
1 421 . 4 1 1 A 34 34 VAL N N 34 120.487 120.648 -0.161 1
1 422 . 4 1 1 A 35 35 ALA H H 35 9.109 8.995 0.114 1
1 423 . 4 1 1 A 35 35 ALA HA H 35 4.143 4.263 -0.120 1
1 427 . 4 1 1 A 35 35 ALA C C 35 177.887 177.709 0.178 1
1 428 . 4 1 1 A 35 35 ALA CA C 35 54.562 54.033 0.529 1
1 429 . 4 1 1 A 35 35 ALA CB C 35 18.880 19.495 -0.615 1
1 430 . 4 1 1 A 35 35 ALA N N 35 129.552 127.632 1.920 1
1 431 . 4 1 1 A 36 36 ASN H H 36 8.169 8.014 0.155 1
1 432 . 4 1 1 A 36 36 ASN HA H 36 5.108 5.066 0.042 1
1 437 . 4 1 1 A 36 36 ASN CA C 36 50.333 50.766 -0.433 1
1 438 . 4 1 1 A 36 36 ASN CB C 36 35.521 38.376 -2.855 1
1 439 . 4 1 1 A 36 36 ASN N N 36 112.302 114.518 -2.216 1
1 441 . 4 1 1 A 37 37 PRO HA H 37 3.891 4.236 -0.345 1
1 448 . 4 1 1 A 37 37 PRO C C 37 177.715 177.346 0.369 1
1 449 . 4 1 1 A 37 37 PRO CA C 37 64.104 64.297 -0.193 1
1 450 . 4 1 1 A 37 37 PRO CB C 37 32.380 31.900 0.480 1
1 453 . 4 1 1 A 38 38 ASP H H 38 8.843 8.191 0.652 1
1 454 . 4 1 1 A 38 38 ASP HA H 38 4.350 4.448 -0.098 1
1 457 . 4 1 1 A 38 38 ASP C C 38 176.942 177.289 -0.347 1
1 458 . 4 1 1 A 38 38 ASP CA C 38 56.035 56.302 -0.267 1
1 459 . 4 1 1 A 38 38 ASP CB C 38 39.249 40.499 -1.250 1
1 460 . 4 1 1 A 38 38 ASP N N 38 118.913 117.913 1.000 1
1 461 . 4 1 1 A 39 39 LEU H H 39 7.548 7.143 0.405 1
1 462 . 4 1 1 A 39 39 LEU HA H 39 4.268 4.190 0.078 1
1 472 . 4 1 1 A 39 39 LEU C C 39 176.727 176.883 -0.156 1
1 473 . 4 1 1 A 39 39 LEU CA C 39 54.091 55.049 -0.958 1
1 474 . 4 1 1 A 39 39 LEU CB C 39 41.404 41.901 -0.497 1
1 478 . 4 1 1 A 39 39 LEU N N 39 117.047 116.974 0.073 1
1 479 . 4 1 1 A 40 40 ILE H H 40 7.047 7.108 -0.061 1
1 480 . 4 1 1 A 40 40 ILE HA H 40 2.710 3.618 -0.908 1
1 490 . 4 1 1 A 40 40 ILE C C 40 174.794 175.205 -0.411 1
1 491 . 4 1 1 A 40 40 ILE CA C 40 64.352 61.361 2.991 1
1 492 . 4 1 1 A 40 40 ILE CB C 40 37.301 36.947 0.354 1
1 496 . 4 1 1 A 40 40 ILE N N 40 118.412 120.831 -2.419 1
1 497 . 4 1 1 A 41 41 LYS H H 41 6.395 8.435 -2.040 1
1 498 . 4 1 1 A 41 41 LYS HA H 41 4.246 4.855 -0.609 1
1 507 . 4 1 1 A 41 41 LYS C C 41 174.422 174.248 0.174 1
1 508 . 4 1 1 A 41 41 LYS CA C 41 54.521 54.239 0.282 1
1 509 . 4 1 1 A 41 41 LYS CB C 41 35.426 35.168 0.258 1
1 513 . 4 1 1 A 41 41 LYS N N 41 122.843 123.979 -1.136 1
1 514 . 4 1 1 A 42 42 LYS H H 42 8.788 8.432 0.356 1
1 515 . 4 1 1 A 42 42 LYS HA H 42 3.603 3.830 -0.227 1
1 524 . 4 1 1 A 42 42 LYS C C 42 176.169 176.882 -0.713 1
1 525 . 4 1 1 A 42 42 LYS CA C 42 59.038 58.214 0.824 1
1 526 . 4 1 1 A 42 42 LYS CB C 42 31.981 32.231 -0.250 1
1 530 . 4 1 1 A 42 42 LYS N N 42 122.219 122.891 -0.672 1
1 531 . 4 1 1 A 43 43 ASP H H 43 9.183 8.895 0.288 1
1 532 . 4 1 1 A 43 43 ASP HA H 43 4.191 4.310 -0.119 1
1 535 . 4 1 1 A 43 43 ASP C C 43 174.866 174.838 0.028 1
1 536 . 4 1 1 A 43 43 ASP CA C 43 57.064 55.570 1.494 1
1 537 . 4 1 1 A 43 43 ASP CB C 43 38.724 40.648 -1.924 1
1 538 . 4 1 1 A 43 43 ASP N N 43 119.807 125.618 -5.811 1
1 539 . 4 1 1 A 44 44 ALA H H 44 7.669 7.521 0.148 1
1 540 . 4 1 1 A 44 44 ALA HA H 44 4.273 4.443 -0.170 1
1 544 . 4 1 1 A 44 44 ALA C C 44 176.197 176.617 -0.420 1
1 545 . 4 1 1 A 44 44 ALA CA C 44 52.503 51.615 0.888 1
1 546 . 4 1 1 A 44 44 ALA CB C 44 19.511 20.731 -1.220 1
1 547 . 4 1 1 A 44 44 ALA N N 44 121.785 122.678 -0.893 1
1 548 . 4 1 1 A 45 45 ALA H H 45 8.522 8.662 -0.140 1
1 549 . 4 1 1 A 45 45 ALA HA H 45 4.820 5.523 -0.703 1
1 553 . 4 1 1 A 45 45 ALA C C 45 177.128 176.487 0.641 1
1 554 . 4 1 1 A 45 45 ALA CA C 45 51.512 50.016 1.496 1
1 555 . 4 1 1 A 45 45 ALA CB C 45 19.306 22.718 -3.412 1
1 556 . 4 1 1 A 45 45 ALA N N 45 125.014 122.099 2.915 1
1 557 . 4 1 1 A 46 46 VAL H H 46 8.358 9.236 -0.878 1
1 558 . 4 1 1 A 46 46 VAL HA H 46 5.659 5.044 0.615 1
1 566 . 4 1 1 A 46 46 VAL C C 46 177.199 174.599 2.600 1
1 567 . 4 1 1 A 46 46 VAL CA C 46 57.919 59.152 -1.233 1
1 568 . 4 1 1 A 46 46 VAL CB C 46 36.362 35.811 0.551 1
1 571 . 4 1 1 A 46 46 VAL N N 46 109.774 115.367 -5.593 1
1 572 . 4 1 1 A 47 47 THR H H 47 8.902 9.328 -0.426 1
1 573 . 4 1 1 A 47 47 THR HA H 47 5.462 5.189 0.273 1
1 578 . 4 1 1 A 47 47 THR C C 47 173.405 173.950 -0.545 1
1 579 . 4 1 1 A 47 47 THR CA C 47 60.139 59.819 0.320 1
1 580 . 4 1 1 A 47 47 THR CB C 47 71.233 70.840 0.393 1
1 582 . 4 1 1 A 47 47 THR N N 47 112.758 116.217 -3.459 1
1 583 . 4 1 1 A 48 48 PHE H H 48 8.423 8.478 -0.055 1
1 584 . 4 1 1 A 48 48 PHE HA H 48 5.099 5.200 -0.101 1
1 591 . 4 1 1 A 48 48 PHE C C 48 172.231 172.863 -0.632 1
1 592 . 4 1 1 A 48 48 PHE CA C 48 56.390 56.004 0.386 1
1 593 . 4 1 1 A 48 48 PHE CB C 48 41.169 41.035 0.134 1
1 596 . 4 1 1 A 48 48 PHE N N 48 115.866 118.265 -2.399 1
1 597 . 4 1 1 A 49 49 GLU H H 49 8.622 8.892 -0.270 1
1 598 . 4 1 1 A 49 49 GLU HA H 49 4.907 5.061 -0.154 1
1 603 . 4 1 1 A 49 49 GLU CA C 49 51.497 54.210 -2.713 1
1 604 . 4 1 1 A 49 49 GLU CB C 49 28.890 31.483 -2.593 1
1 606 . 4 1 1 A 49 49 GLU N N 49 117.484 118.627 -1.143 1
1 607 . 4 1 1 A 50 50 PRO HA H 50 4.829 5.172 -0.343 1
1 614 . 4 1 1 A 50 50 PRO C C 50 175.925 175.214 0.711 1
1 615 . 4 1 1 A 50 50 PRO CA C 50 62.593 62.331 0.262 1
1 616 . 4 1 1 A 50 50 PRO CB C 50 32.917 32.211 0.706 1
1 619 . 4 1 1 A 51 51 THR H H 51 7.621 8.429 -0.808 1
1 620 . 4 1 1 A 51 51 THR HA H 51 4.742 4.822 -0.080 1
1 625 . 4 1 1 A 51 51 THR C C 51 172.074 171.885 0.189 1
1 626 . 4 1 1 A 51 51 THR CA C 51 60.558 60.467 0.091 1
1 627 . 4 1 1 A 51 51 THR CB C 51 68.841 70.278 -1.437 1
1 629 . 4 1 1 A 51 51 THR N N 51 112.909 117.030 -4.121 1
1 630 . 4 1 1 A 52 52 THR H H 52 8.367 8.563 -0.196 1
1 631 . 4 1 1 A 52 52 THR HA H 52 4.975 5.248 -0.273 1
1 636 . 4 1 1 A 52 52 THR C C 52 173.047 173.194 -0.147 1
1 637 . 4 1 1 A 52 52 THR CA C 52 60.794 60.666 0.128 1
1 638 . 4 1 1 A 52 52 THR CB C 52 71.210 71.765 -0.555 1
1 640 . 4 1 1 A 52 52 THR N N 52 117.260 118.063 -0.803 1
1 641 . 4 1 1 A 53 53 ASN H H 53 8.827 8.804 0.023 1
1 642 . 4 1 1 A 53 53 ASN HA H 53 4.756 5.306 -0.550 1
1 647 . 4 1 1 A 53 53 ASN CA C 53 53.430 51.715 1.715 1
1 648 . 4 1 1 A 53 53 ASN CB C 53 38.660 42.263 -3.603 1
1 649 . 4 1 1 A 53 53 ASN N N 53 122.737 121.157 1.580 1
1 651 . 4 1 1 A 54 54 ASN HA H 54 4.420 4.740 -0.320 1
1 656 . 4 1 1 A 54 54 ASN C C 54 176.154 175.234 0.920 1
1 657 . 4 1 1 A 54 54 ASN CA C 54 55.580 54.784 0.796 1
1 658 . 4 1 1 A 54 54 ASN CB C 54 36.917 38.237 -1.320 1
1 660 . 4 1 1 A 55 55 LYS H H 55 8.190 7.602 0.588 1
1 661 . 4 1 1 A 55 55 LYS HA H 55 4.225 4.460 -0.235 1
1 670 . 4 1 1 A 55 55 LYS C C 55 176.154 176.182 -0.028 1
1 671 . 4 1 1 A 55 55 LYS CA C 55 55.113 55.513 -0.400 1
1 672 . 4 1 1 A 55 55 LYS CB C 55 31.703 33.071 -1.368 1
1 676 . 4 1 1 A 55 55 LYS N N 55 117.935 118.988 -1.053 1
1 677 . 4 1 1 A 56 56 GLY H H 56 7.966 7.053 0.913 1
1 678 . 4 1 1 A 56 56 GLY HA2 H 56 4.496 4.170 0.326 1
1 679 . 4 1 1 A 56 56 GLY HA3 H 56 3.794 4.191 -0.397 1
1 680 . 4 1 1 A 56 56 GLY C C 56 173.262 172.453 0.809 1
1 681 . 4 1 1 A 56 56 GLY CA C 56 44.177 44.604 -0.427 1
1 682 . 4 1 1 A 56 56 GLY N N 56 108.898 107.926 0.972 1
1 683 . 4 1 1 A 57 57 LEU H H 57 8.716 8.373 0.343 1
1 684 . 4 1 1 A 57 57 LEU HA H 57 4.442 4.966 -0.524 1
1 694 . 4 1 1 A 57 57 LEU C C 57 178.488 175.549 2.939 1
1 695 . 4 1 1 A 57 57 LEU CA C 57 56.424 53.644 2.780 1
1 696 . 4 1 1 A 57 57 LEU CB C 57 42.582 44.559 -1.977 1
1 700 . 4 1 1 A 57 57 LEU N N 57 122.286 123.683 -1.397 1
1 701 . 4 1 1 A 58 58 SER H H 58 9.033 8.542 0.491 1
1 702 . 4 1 1 A 58 58 SER HA H 58 5.696 5.056 0.640 1
1 705 . 4 1 1 A 58 58 SER C C 58 173.820 172.770 1.050 1
1 706 . 4 1 1 A 58 58 SER CA C 58 56.715 56.678 0.037 1
1 707 . 4 1 1 A 58 58 SER CB C 58 65.779 66.937 -1.158 1
1 708 . 4 1 1 A 58 58 SER N N 58 117.913 115.405 2.508 1
1 709 . 4 1 1 A 59 59 ALA H H 59 8.775 8.047 0.728 1
1 710 . 4 1 1 A 59 59 ALA HA H 59 5.409 5.088 0.321 1
1 714 . 4 1 1 A 59 59 ALA C C 59 174.966 174.585 0.381 1
1 715 . 4 1 1 A 59 59 ALA CA C 59 50.783 50.355 0.428 1
1 716 . 4 1 1 A 59 59 ALA CB C 59 23.985 23.012 0.973 1
1 717 . 4 1 1 A 59 59 ALA N N 59 125.556 121.137 4.419 1
1 718 . 4 1 1 A 60 60 TYR H H 60 9.347 8.439 0.908 1
1 719 . 4 1 1 A 60 60 TYR HA H 60 5.030 5.005 0.025 1
1 726 . 4 1 1 A 60 60 TYR C C 60 171.673 175.171 -3.498 1
1 727 . 4 1 1 A 60 60 TYR CA C 60 55.484 57.189 -1.705 1
1 728 . 4 1 1 A 60 60 TYR CB C 60 39.502 42.412 -2.910 1
1 731 . 4 1 1 A 60 60 TYR N N 60 118.946 116.498 2.448 1
1 732 . 4 1 1 A 61 61 ALA H H 61 9.176 8.633 0.543 1
1 733 . 4 1 1 A 61 61 ALA HA H 61 4.116 3.921 0.195 1
1 737 . 4 1 1 A 61 61 ALA C C 61 175.825 176.845 -1.020 1
1 738 . 4 1 1 A 61 61 ALA CA C 61 52.809 52.934 -0.125 1
1 739 . 4 1 1 A 61 61 ALA CB C 61 16.597 17.473 -0.876 1
1 740 . 4 1 1 A 61 61 ALA N N 61 124.113 121.549 2.564 1
1 741 . 4 1 1 A 62 62 VAL H H 62 7.968 8.505 -0.537 1
1 742 . 4 1 1 A 62 62 VAL HA H 62 4.300 4.490 -0.190 1
1 750 . 4 1 1 A 62 62 VAL C C 62 175.395 175.955 -0.560 1
1 751 . 4 1 1 A 62 62 VAL CA C 62 62.252 62.940 -0.688 1
1 752 . 4 1 1 A 62 62 VAL CB C 62 31.435 31.890 -0.455 1
1 755 . 4 1 1 A 62 62 VAL N N 62 116.561 118.458 -1.897 1
1 756 . 4 1 1 A 63 63 LYS H H 63 9.208 9.311 -0.103 1
1 757 . 4 1 1 A 63 63 LYS HA H 63 4.633 4.897 -0.264 1
1 766 . 4 1 1 A 63 63 LYS C C 63 175.238 175.871 -0.633 1
1 767 . 4 1 1 A 63 63 LYS CA C 63 54.729 55.012 -0.283 1
1 768 . 4 1 1 A 63 63 LYS CB C 63 34.859 34.993 -0.134 1
1 772 . 4 1 1 A 63 63 LYS N N 63 128.892 128.300 0.592 1
1 773 . 4 1 1 A 64 64 VAL H H 64 9.588 9.101 0.487 1
1 774 . 4 1 1 A 64 64 VAL HA H 64 4.345 4.166 0.179 1
1 782 . 4 1 1 A 64 64 VAL C C 64 176.856 175.496 1.360 1
1 783 . 4 1 1 A 64 64 VAL CA C 64 62.563 62.910 -0.347 1
1 784 . 4 1 1 A 64 64 VAL CB C 64 30.916 32.283 -1.367 1
1 787 . 4 1 1 A 64 64 VAL N N 64 126.595 125.106 1.489 1
1 788 . 4 1 1 A 65 65 VAL H H 65 8.597 9.238 -0.641 1
1 789 . 4 1 1 A 65 65 VAL HA H 65 4.370 4.613 -0.243 1
1 797 . 4 1 1 A 65 65 VAL CA C 65 62.480 59.294 3.186 1
1 798 . 4 1 1 A 65 65 VAL CB C 65 32.436 32.356 0.080 1
1 801 . 4 1 1 A 65 65 VAL N N 65 127.945 127.210 0.735 1
1 802 . 4 1 1 A 66 66 PRO HA H 66 4.385 4.649 -0.264 1
1 809 . 4 1 1 A 66 66 PRO C C 66 176.627 176.900 -0.273 1
1 810 . 4 1 1 A 66 66 PRO CA C 66 62.511 62.202 0.309 1
1 811 . 4 1 1 A 66 66 PRO CB C 66 31.875 32.897 -1.022 1
1 814 . 4 1 1 A 67 67 LEU H H 67 8.236 8.587 -0.351 1
1 815 . 4 1 1 A 67 67 LEU HA H 67 4.181 3.902 0.279 1
1 825 . 4 1 1 A 67 67 LEU C C 67 177.357 176.807 0.550 1
1 826 . 4 1 1 A 67 67 LEU CA C 67 55.352 56.247 -0.895 1
1 827 . 4 1 1 A 67 67 LEU CB C 67 42.355 39.474 2.881 1
1 831 . 4 1 1 A 67 67 LEU N N 67 122.691 117.210 5.481 1
1 832 . 4 1 1 A 68 68 GLU H H 68 8.432 7.951 0.481 1
1 833 . 4 1 1 A 68 68 GLU HA H 68 4.184 4.031 0.153 1
1 838 . 4 1 1 A 68 68 GLU C C 68 176.054 176.039 0.015 1
1 839 . 4 1 1 A 68 68 GLU CA C 68 56.250 59.298 -3.048 1
1 840 . 4 1 1 A 68 68 GLU CB C 68 30.077 29.842 0.235 1
1 842 . 4 1 1 A 68 68 GLU N N 68 121.298 119.161 2.137 1
1 843 . 4 1 1 A 69 69 HIS H H 69 8.303 7.457 0.846 1
1 844 . 4 1 1 A 69 69 HIS HA H 69 4.517 4.902 -0.385 1
1 849 . 4 1 1 A 69 69 HIS C C 69 173.863 174.494 -0.631 1
1 850 . 4 1 1 A 69 69 HIS CA C 69 55.663 53.526 2.137 1
1 851 . 4 1 1 A 69 69 HIS CB C 69 29.904 32.688 -2.784 1
1 1 . 5 1 1 A 2 2 ALA HA H 2 3.908 4.399 -0.491 1
1 5 . 5 1 1 A 2 2 ALA C C 2 174.665 176.667 -2.002 1
1 6 . 5 1 1 A 2 2 ALA CA C 2 51.696 51.380 0.316 1
1 7 . 5 1 1 A 2 2 ALA CB C 2 19.380 19.552 -0.172 1
1 8 . 5 1 1 A 3 3 MET H H 3 8.516 8.652 -0.136 1
1 9 . 5 1 1 A 3 3 MET HA H 3 4.349 5.188 -0.839 1
1 17 . 5 1 1 A 3 3 MET C C 3 173.119 174.113 -0.994 1
1 18 . 5 1 1 A 3 3 MET CA C 3 54.457 53.793 0.664 1
1 19 . 5 1 1 A 3 3 MET CB C 3 37.020 35.958 1.062 1
1 22 . 5 1 1 A 3 3 MET N N 3 118.958 122.339 -3.381 1
1 23 . 5 1 1 A 4 4 ASN H H 4 8.627 8.554 0.073 1
1 24 . 5 1 1 A 4 4 ASN HA H 4 5.470 5.652 -0.182 1
1 29 . 5 1 1 A 4 4 ASN C C 4 175.782 174.714 1.068 1
1 30 . 5 1 1 A 4 4 ASN CA C 4 52.043 51.642 0.401 1
1 31 . 5 1 1 A 4 4 ASN CB C 4 41.102 41.089 0.013 1
1 32 . 5 1 1 A 4 4 ASN N N 4 116.608 116.719 -0.111 1
1 34 . 5 1 1 A 5 5 GLY H H 5 8.444 8.756 -0.312 1
1 35 . 5 1 1 A 5 5 GLY HA2 H 5 4.652 4.454 0.198 1
1 36 . 5 1 1 A 5 5 GLY HA3 H 5 3.710 4.625 -0.915 1
1 37 . 5 1 1 A 5 5 GLY C C 5 171.487 171.784 -0.297 1
1 38 . 5 1 1 A 5 5 GLY CA C 5 46.682 44.736 1.946 1
1 39 . 5 1 1 A 5 5 GLY N N 5 104.747 108.590 -3.843 1
1 40 . 5 1 1 A 6 6 THR H H 6 8.303 9.267 -0.964 1
1 41 . 5 1 1 A 6 6 THR HA H 6 5.193 5.010 0.183 1
1 46 . 5 1 1 A 6 6 THR C C 6 173.634 174.198 -0.564 1
1 47 . 5 1 1 A 6 6 THR CA C 6 60.367 61.466 -1.099 1
1 48 . 5 1 1 A 6 6 THR CB C 6 72.071 70.556 1.515 1
1 50 . 5 1 1 A 6 6 THR N N 6 114.893 115.418 -0.525 1
1 51 . 5 1 1 A 7 7 ILE H H 7 8.887 9.036 -0.149 1
1 52 . 5 1 1 A 7 7 ILE HA H 7 4.189 4.014 0.175 1
1 62 . 5 1 1 A 7 7 ILE C C 7 175.782 176.677 -0.895 1
1 63 . 5 1 1 A 7 7 ILE CA C 7 62.394 61.332 1.062 1
1 64 . 5 1 1 A 7 7 ILE CB C 7 37.461 36.702 0.759 1
1 68 . 5 1 1 A 7 7 ILE N N 7 125.014 126.826 -1.812 1
1 69 . 5 1 1 A 8 8 THR H H 8 8.968 8.438 0.530 1
1 70 . 5 1 1 A 8 8 THR HA H 8 4.583 4.477 0.106 1
1 75 . 5 1 1 A 8 8 THR C C 8 175.352 174.670 0.682 1
1 76 . 5 1 1 A 8 8 THR CA C 8 62.547 62.443 0.104 1
1 77 . 5 1 1 A 8 8 THR CB C 8 69.324 69.740 -0.416 1
1 79 . 5 1 1 A 8 8 THR N N 8 123.264 118.882 4.382 1
1 80 . 5 1 1 A 9 9 THR H H 9 7.744 7.815 -0.071 1
1 81 . 5 1 1 A 9 9 THR HA H 9 4.408 4.675 -0.267 1
1 86 . 5 1 1 A 9 9 THR C C 9 171.759 173.596 -1.837 1
1 87 . 5 1 1 A 9 9 THR CA C 9 61.370 62.054 -0.684 1
1 88 . 5 1 1 A 9 9 THR CB C 9 72.472 69.885 2.587 1
1 90 . 5 1 1 A 9 9 THR N N 9 116.608 115.580 1.028 1
1 91 . 5 1 1 A 10 10 TRP H H 10 8.620 8.299 0.321 1
1 92 . 5 1 1 A 10 10 TRP HA H 10 4.844 4.900 -0.056 1
1 101 . 5 1 1 A 10 10 TRP C C 10 172.833 174.270 -1.437 1
1 102 . 5 1 1 A 10 10 TRP CA C 10 55.471 56.589 -1.118 1
1 103 . 5 1 1 A 10 10 TRP CB C 10 32.843 32.251 0.592 1
1 109 . 5 1 1 A 10 10 TRP N N 10 126.095 127.217 -1.122 1
1 111 . 5 1 1 A 11 11 PHE H H 11 7.892 8.681 -0.789 1
1 112 . 5 1 1 A 11 11 PHE HA H 11 4.508 4.530 -0.022 1
1 120 . 5 1 1 A 11 11 PHE C C 11 174.493 175.178 -0.685 1
1 121 . 5 1 1 A 11 11 PHE CA C 11 54.001 56.109 -2.108 1
1 122 . 5 1 1 A 11 11 PHE CB C 11 36.906 37.485 -0.579 1
1 126 . 5 1 1 A 11 11 PHE N N 11 127.953 125.708 2.245 1
1 127 . 5 1 1 A 12 12 LYS H H 12 7.844 7.704 0.140 1
1 128 . 5 1 1 A 12 12 LYS HA H 12 2.844 3.178 -0.334 1
1 137 . 5 1 1 A 12 12 LYS C C 12 177.701 177.663 0.038 1
1 138 . 5 1 1 A 12 12 LYS CA C 12 59.164 59.195 -0.031 1
1 139 . 5 1 1 A 12 12 LYS CB C 12 32.427 32.222 0.205 1
1 143 . 5 1 1 A 12 12 LYS N N 12 125.042 124.445 0.597 1
1 144 . 5 1 1 A 13 13 ASP H H 13 8.638 7.803 0.835 1
1 145 . 5 1 1 A 13 13 ASP HA H 13 4.281 4.372 -0.091 1
1 148 . 5 1 1 A 13 13 ASP C C 13 176.827 177.015 -0.188 1
1 149 . 5 1 1 A 13 13 ASP CA C 13 55.401 56.334 -0.933 1
1 150 . 5 1 1 A 13 13 ASP CB C 13 39.349 40.853 -1.504 1
1 151 . 5 1 1 A 13 13 ASP N N 13 114.668 118.756 -4.088 1
1 152 . 5 1 1 A 14 14 LYS H H 14 6.965 7.483 -0.518 1
1 153 . 5 1 1 A 14 14 LYS HA H 14 4.425 4.378 0.047 1
1 162 . 5 1 1 A 14 14 LYS C C 14 176.913 177.237 -0.324 1
1 163 . 5 1 1 A 14 14 LYS CA C 14 55.288 56.137 -0.849 1
1 164 . 5 1 1 A 14 14 LYS CB C 14 34.562 33.574 0.988 1
1 168 . 5 1 1 A 14 14 LYS N N 14 116.507 116.366 0.141 1
1 169 . 5 1 1 A 15 15 GLY H H 15 7.619 9.024 -1.405 1
1 170 . 5 1 1 A 15 15 GLY HA2 H 15 3.875 3.705 0.170 1
1 171 . 5 1 1 A 15 15 GLY HA3 H 15 3.499 3.886 -0.387 1
1 172 . 5 1 1 A 15 15 GLY C C 15 171.358 173.536 -2.178 1
1 173 . 5 1 1 A 15 15 GLY CA C 15 46.020 45.400 0.620 1
1 174 . 5 1 1 A 15 15 GLY N N 15 107.093 107.388 -0.295 1
1 175 . 5 1 1 A 16 16 PHE H H 16 6.663 6.580 0.083 1
1 176 . 5 1 1 A 16 16 PHE HA H 16 4.866 5.241 -0.375 1
1 183 . 5 1 1 A 16 16 PHE C C 16 171.472 173.795 -2.323 1
1 184 . 5 1 1 A 16 16 PHE CA C 16 54.765 55.202 -0.437 1
1 185 . 5 1 1 A 16 16 PHE CB C 16 41.805 42.185 -0.380 1
1 188 . 5 1 1 A 16 16 PHE N N 16 112.369 114.134 -1.765 1
1 189 . 5 1 1 A 17 17 GLY H H 17 7.436 8.201 -0.765 1
1 190 . 5 1 1 A 17 17 GLY HA2 H 17 3.951 4.284 -0.333 1
1 191 . 5 1 1 A 17 17 GLY HA3 H 17 3.399 4.448 -1.049 1
1 192 . 5 1 1 A 17 17 GLY C C 17 169.926 171.310 -1.384 1
1 193 . 5 1 1 A 17 17 GLY CA C 17 45.073 46.179 -1.106 1
1 194 . 5 1 1 A 17 17 GLY N N 17 105.719 106.439 -0.720 1
1 195 . 5 1 1 A 18 18 PHE H H 18 8.505 9.280 -0.775 1
1 196 . 5 1 1 A 18 18 PHE HA H 18 5.728 5.745 -0.017 1
1 204 . 5 1 1 A 18 18 PHE C C 18 175.023 174.978 0.045 1
1 205 . 5 1 1 A 18 18 PHE CA C 18 56.493 56.288 0.205 1
1 206 . 5 1 1 A 18 18 PHE CB C 18 43.783 43.065 0.718 1
1 210 . 5 1 1 A 18 18 PHE N N 18 113.767 118.641 -4.874 1
1 211 . 5 1 1 A 19 19 ILE H H 19 9.615 8.922 0.693 1
1 212 . 5 1 1 A 19 19 ILE HA H 19 4.679 4.732 -0.053 1
1 222 . 5 1 1 A 19 19 ILE C C 19 174.894 175.094 -0.200 1
1 223 . 5 1 1 A 19 19 ILE CA C 19 58.585 60.202 -1.617 1
1 224 . 5 1 1 A 19 19 ILE CB C 19 43.854 39.711 4.143 1
1 228 . 5 1 1 A 19 19 ILE N N 19 122.746 122.664 0.082 1
1 229 . 5 1 1 A 20 20 LYS H H 20 8.971 8.630 0.341 1
1 230 . 5 1 1 A 20 20 LYS HA H 20 5.241 4.894 0.347 1
1 239 . 5 1 1 A 20 20 LYS C C 20 177.413 176.214 1.199 1
1 240 . 5 1 1 A 20 20 LYS CA C 20 54.622 55.847 -1.225 1
1 241 . 5 1 1 A 20 20 LYS CB C 20 33.070 33.338 -0.268 1
1 245 . 5 1 1 A 20 20 LYS N N 20 127.450 127.535 -0.085 1
1 246 . 5 1 1 A 21 21 ASP H H 21 9.363 8.301 1.062 1
1 247 . 5 1 1 A 21 21 ASP HA H 21 5.241 5.075 0.166 1
1 250 . 5 1 1 A 21 21 ASP C C 21 178.431 177.690 0.741 1
1 251 . 5 1 1 A 21 21 ASP CA C 21 52.981 52.054 0.927 1
1 252 . 5 1 1 A 21 21 ASP CB C 21 44.583 42.102 2.481 1
1 253 . 5 1 1 A 21 21 ASP N N 21 129.797 125.838 3.959 1
1 254 . 5 1 1 A 22 22 GLU H H 22 8.127 8.227 -0.100 1
1 255 . 5 1 1 A 22 22 GLU HA H 22 4.264 3.975 0.289 1
1 260 . 5 1 1 A 22 22 GLU C C 22 176.226 179.066 -2.840 1
1 261 . 5 1 1 A 22 22 GLU CA C 22 57.515 59.635 -2.120 1
1 262 . 5 1 1 A 22 22 GLU CB C 22 29.830 29.245 0.585 1
1 264 . 5 1 1 A 22 22 GLU N N 22 115.545 117.705 -2.160 1
1 265 . 5 1 1 A 23 23 ASN H H 23 8.606 8.256 0.350 1
1 266 . 5 1 1 A 23 23 ASN HA H 23 4.963 4.729 0.234 1
1 271 . 5 1 1 A 23 23 ASN C C 23 175.582 175.449 0.133 1
1 272 . 5 1 1 A 23 23 ASN CA C 23 52.968 53.766 -0.798 1
1 273 . 5 1 1 A 23 23 ASN CB C 23 39.172 39.031 0.141 1
1 274 . 5 1 1 A 23 23 ASN N N 23 118.707 115.867 2.840 1
1 276 . 5 1 1 A 24 24 GLY H H 24 8.451 7.834 0.617 1
1 277 . 5 1 1 A 24 24 GLY HA2 H 24 4.323 3.943 0.380 1
1 278 . 5 1 1 A 24 24 GLY HA3 H 24 3.484 3.949 -0.465 1
1 279 . 5 1 1 A 24 24 GLY C C 24 174.121 173.463 0.658 1
1 280 . 5 1 1 A 24 24 GLY CA C 24 44.816 45.409 -0.593 1
1 281 . 5 1 1 A 24 24 GLY N N 24 108.999 107.391 1.608 1
1 282 . 5 1 1 A 25 25 ASP H H 25 8.326 7.884 0.442 1
1 283 . 5 1 1 A 25 25 ASP HA H 25 4.792 5.035 -0.243 1
1 286 . 5 1 1 A 25 25 ASP C C 25 173.047 175.219 -2.172 1
1 287 . 5 1 1 A 25 25 ASP CA C 25 54.677 52.523 2.154 1
1 288 . 5 1 1 A 25 25 ASP CB C 25 41.577 43.855 -2.278 1
1 289 . 5 1 1 A 25 25 ASP N N 25 121.814 120.737 1.077 1
1 290 . 5 1 1 A 26 26 ASN H H 26 8.503 8.876 -0.373 1
1 291 . 5 1 1 A 26 26 ASN HA H 26 5.607 5.710 -0.103 1
1 296 . 5 1 1 A 26 26 ASN C C 26 175.496 174.335 1.161 1
1 297 . 5 1 1 A 26 26 ASN CA C 26 52.290 51.754 0.536 1
1 298 . 5 1 1 A 26 26 ASN CB C 26 40.017 40.171 -0.154 1
1 299 . 5 1 1 A 26 26 ASN N N 26 119.224 119.517 -0.293 1
1 301 . 5 1 1 A 27 27 ARG H H 27 9.884 8.769 1.115 1
1 302 . 5 1 1 A 27 27 ARG HA H 27 4.720 5.011 -0.291 1
1 309 . 5 1 1 A 27 27 ARG C C 27 174.665 175.165 -0.500 1
1 310 . 5 1 1 A 27 27 ARG CA C 27 54.314 55.180 -0.866 1
1 311 . 5 1 1 A 27 27 ARG CB C 27 33.562 32.221 1.341 1
1 314 . 5 1 1 A 27 27 ARG N N 27 122.242 124.895 -2.653 1
1 315 . 5 1 1 A 28 28 TYR H H 28 8.314 8.850 -0.536 1
1 316 . 5 1 1 A 28 28 TYR HA H 28 4.365 4.605 -0.240 1
1 323 . 5 1 1 A 28 28 TYR C C 28 174.765 174.370 0.395 1
1 324 . 5 1 1 A 28 28 TYR CA C 28 58.102 57.620 0.482 1
1 325 . 5 1 1 A 28 28 TYR CB C 28 39.606 38.884 0.722 1
1 328 . 5 1 1 A 28 28 TYR N N 28 126.908 124.680 2.228 1
1 329 . 5 1 1 A 29 29 PHE H H 29 7.873 9.074 -1.201 1
1 330 . 5 1 1 A 29 29 PHE HA H 29 5.159 5.163 -0.004 1
1 338 . 5 1 1 A 29 29 PHE C C 29 169.840 174.937 -5.097 1
1 339 . 5 1 1 A 29 29 PHE CA C 29 56.025 56.584 -0.559 1
1 340 . 5 1 1 A 29 29 PHE CB C 29 42.454 41.737 0.717 1
1 344 . 5 1 1 A 29 29 PHE N N 29 124.137 126.569 -2.432 1
1 345 . 5 1 1 A 30 30 HIS H H 30 8.255 8.740 -0.485 1
1 346 . 5 1 1 A 30 30 HIS HA H 30 4.819 5.398 -0.579 1
1 351 . 5 1 1 A 30 30 HIS C C 30 176.598 175.237 1.361 1
1 352 . 5 1 1 A 30 30 HIS CA C 30 55.040 56.037 -0.997 1
1 353 . 5 1 1 A 30 30 HIS CB C 30 35.066 33.553 1.513 1
1 356 . 5 1 1 A 30 30 HIS N N 30 119.922 121.088 -1.166 1
1 357 . 5 1 1 A 31 31 VAL H H 31 8.390 8.984 -0.594 1
1 358 . 5 1 1 A 31 31 VAL HA H 31 3.911 3.852 0.059 1
1 366 . 5 1 1 A 31 31 VAL C C 31 176.713 176.861 -0.148 1
1 367 . 5 1 1 A 31 31 VAL CA C 31 65.423 64.666 0.757 1
1 368 . 5 1 1 A 31 31 VAL CB C 31 32.354 31.842 0.512 1
1 371 . 5 1 1 A 31 31 VAL N N 31 126.977 124.969 2.008 1
1 372 . 5 1 1 A 32 32 ILE H H 32 10.207 7.505 2.702 1
1 373 . 5 1 1 A 32 32 ILE HA H 32 4.397 3.795 0.602 1
1 383 . 5 1 1 A 32 32 ILE C C 32 177.414 177.476 -0.062 1
1 384 . 5 1 1 A 32 32 ILE CA C 32 63.601 64.215 -0.614 1
1 385 . 5 1 1 A 32 32 ILE CB C 32 38.023 37.675 0.348 1
1 389 . 5 1 1 A 32 32 ILE N N 32 123.360 120.492 2.868 1
1 390 . 5 1 1 A 33 33 LYS H H 33 8.435 7.362 1.073 1
1 391 . 5 1 1 A 33 33 LYS HA H 33 4.734 4.411 0.323 1
1 400 . 5 1 1 A 33 33 LYS C C 33 175.037 176.010 -0.973 1
1 401 . 5 1 1 A 33 33 LYS CA C 33 54.046 56.321 -2.275 1
1 402 . 5 1 1 A 33 33 LYS CB C 33 31.743 33.198 -1.455 1
1 406 . 5 1 1 A 33 33 LYS N N 33 118.502 120.234 -1.732 1
1 407 . 5 1 1 A 34 34 VAL H H 34 7.750 7.633 0.117 1
1 408 . 5 1 1 A 34 34 VAL HA H 34 4.672 4.459 0.213 1
1 416 . 5 1 1 A 34 34 VAL C C 34 175.911 175.674 0.237 1
1 417 . 5 1 1 A 34 34 VAL CA C 34 60.255 62.571 -2.316 1
1 418 . 5 1 1 A 34 34 VAL CB C 34 32.064 32.492 -0.428 1
1 421 . 5 1 1 A 34 34 VAL N N 34 120.487 120.915 -0.428 1
1 422 . 5 1 1 A 35 35 ALA H H 35 9.109 8.487 0.622 1
1 423 . 5 1 1 A 35 35 ALA HA H 35 4.143 4.378 -0.235 1
1 427 . 5 1 1 A 35 35 ALA C C 35 177.887 177.631 0.256 1
1 428 . 5 1 1 A 35 35 ALA CA C 35 54.562 53.657 0.905 1
1 429 . 5 1 1 A 35 35 ALA CB C 35 18.880 19.851 -0.971 1
1 430 . 5 1 1 A 35 35 ALA N N 35 129.552 128.913 0.639 1
1 431 . 5 1 1 A 36 36 ASN H H 36 8.169 8.058 0.111 1
1 432 . 5 1 1 A 36 36 ASN HA H 36 5.108 5.059 0.049 1
1 437 . 5 1 1 A 36 36 ASN CA C 36 50.333 50.725 -0.392 1
1 438 . 5 1 1 A 36 36 ASN CB C 36 35.521 38.611 -3.090 1
1 439 . 5 1 1 A 36 36 ASN N N 36 112.302 114.769 -2.467 1
1 441 . 5 1 1 A 37 37 PRO HA H 37 3.891 4.474 -0.583 1
1 448 . 5 1 1 A 37 37 PRO C C 37 177.715 177.261 0.454 1
1 449 . 5 1 1 A 37 37 PRO CA C 37 64.104 64.266 -0.162 1
1 450 . 5 1 1 A 37 37 PRO CB C 37 32.380 32.046 0.334 1
1 453 . 5 1 1 A 38 38 ASP H H 38 8.843 8.252 0.591 1
1 454 . 5 1 1 A 38 38 ASP HA H 38 4.350 4.518 -0.168 1
1 457 . 5 1 1 A 38 38 ASP C C 38 176.942 177.428 -0.486 1
1 458 . 5 1 1 A 38 38 ASP CA C 38 56.035 56.311 -0.276 1
1 459 . 5 1 1 A 38 38 ASP CB C 38 39.249 40.723 -1.474 1
1 460 . 5 1 1 A 38 38 ASP N N 38 118.913 118.394 0.519 1
1 461 . 5 1 1 A 39 39 LEU H H 39 7.548 7.582 -0.034 1
1 462 . 5 1 1 A 39 39 LEU HA H 39 4.268 4.312 -0.044 1
1 472 . 5 1 1 A 39 39 LEU C C 39 176.727 176.887 -0.160 1
1 473 . 5 1 1 A 39 39 LEU CA C 39 54.091 54.602 -0.511 1
1 474 . 5 1 1 A 39 39 LEU CB C 39 41.404 41.841 -0.437 1
1 478 . 5 1 1 A 39 39 LEU N N 39 117.047 117.069 -0.022 1
1 479 . 5 1 1 A 40 40 ILE H H 40 7.047 7.369 -0.322 1
1 480 . 5 1 1 A 40 40 ILE HA H 40 2.710 3.744 -1.034 1
1 490 . 5 1 1 A 40 40 ILE C C 40 174.794 175.150 -0.356 1
1 491 . 5 1 1 A 40 40 ILE CA C 40 64.352 61.236 3.116 1
1 492 . 5 1 1 A 40 40 ILE CB C 40 37.301 37.448 -0.147 1
1 496 . 5 1 1 A 40 40 ILE N N 40 118.412 121.130 -2.718 1
1 497 . 5 1 1 A 41 41 LYS H H 41 6.395 8.453 -2.058 1
1 498 . 5 1 1 A 41 41 LYS HA H 41 4.246 4.823 -0.577 1
1 507 . 5 1 1 A 41 41 LYS C C 41 174.422 175.116 -0.694 1
1 508 . 5 1 1 A 41 41 LYS CA C 41 54.521 54.027 0.494 1
1 509 . 5 1 1 A 41 41 LYS CB C 41 35.426 35.217 0.209 1
1 513 . 5 1 1 A 41 41 LYS N N 41 122.843 127.162 -4.319 1
1 514 . 5 1 1 A 42 42 LYS H H 42 8.788 8.538 0.250 1
1 515 . 5 1 1 A 42 42 LYS HA H 42 3.603 3.852 -0.249 1
1 524 . 5 1 1 A 42 42 LYS C C 42 176.169 176.655 -0.486 1
1 525 . 5 1 1 A 42 42 LYS CA C 42 59.038 57.804 1.234 1
1 526 . 5 1 1 A 42 42 LYS CB C 42 31.981 32.384 -0.403 1
1 530 . 5 1 1 A 42 42 LYS N N 42 122.219 122.374 -0.155 1
1 531 . 5 1 1 A 43 43 ASP H H 43 9.183 8.619 0.564 1
1 532 . 5 1 1 A 43 43 ASP HA H 43 4.191 4.174 0.017 1
1 535 . 5 1 1 A 43 43 ASP C C 43 174.866 175.018 -0.152 1
1 536 . 5 1 1 A 43 43 ASP CA C 43 57.064 55.439 1.625 1
1 537 . 5 1 1 A 43 43 ASP CB C 43 38.724 40.293 -1.569 1
1 538 . 5 1 1 A 43 43 ASP N N 43 119.807 125.660 -5.853 1
1 539 . 5 1 1 A 44 44 ALA H H 44 7.669 7.337 0.332 1
1 540 . 5 1 1 A 44 44 ALA HA H 44 4.273 4.501 -0.228 1
1 544 . 5 1 1 A 44 44 ALA C C 44 176.197 176.185 0.012 1
1 545 . 5 1 1 A 44 44 ALA CA C 44 52.503 51.864 0.639 1
1 546 . 5 1 1 A 44 44 ALA CB C 44 19.511 20.727 -1.216 1
1 547 . 5 1 1 A 44 44 ALA N N 44 121.785 122.764 -0.979 1
1 548 . 5 1 1 A 45 45 ALA H H 45 8.522 8.657 -0.135 1
1 549 . 5 1 1 A 45 45 ALA HA H 45 4.820 5.424 -0.604 1
1 553 . 5 1 1 A 45 45 ALA C C 45 177.128 176.674 0.454 1
1 554 . 5 1 1 A 45 45 ALA CA C 45 51.512 49.964 1.548 1
1 555 . 5 1 1 A 45 45 ALA CB C 45 19.306 22.739 -3.433 1
1 556 . 5 1 1 A 45 45 ALA N N 45 125.014 121.236 3.778 1
1 557 . 5 1 1 A 46 46 VAL H H 46 8.358 9.295 -0.937 1
1 558 . 5 1 1 A 46 46 VAL HA H 46 5.659 5.046 0.613 1
1 566 . 5 1 1 A 46 46 VAL C C 46 177.199 174.420 2.779 1
1 567 . 5 1 1 A 46 46 VAL CA C 46 57.919 59.303 -1.384 1
1 568 . 5 1 1 A 46 46 VAL CB C 46 36.362 35.648 0.714 1
1 571 . 5 1 1 A 46 46 VAL N N 46 109.774 115.390 -5.616 1
1 572 . 5 1 1 A 47 47 THR H H 47 8.902 8.836 0.066 1
1 573 . 5 1 1 A 47 47 THR HA H 47 5.462 5.143 0.319 1
1 578 . 5 1 1 A 47 47 THR C C 47 173.405 173.354 0.051 1
1 579 . 5 1 1 A 47 47 THR CA C 47 60.139 60.586 -0.447 1
1 580 . 5 1 1 A 47 47 THR CB C 47 71.233 71.805 -0.572 1
1 582 . 5 1 1 A 47 47 THR N N 47 112.758 116.694 -3.936 1
1 583 . 5 1 1 A 48 48 PHE H H 48 8.423 8.038 0.385 1
1 584 . 5 1 1 A 48 48 PHE HA H 48 5.099 5.043 0.056 1
1 591 . 5 1 1 A 48 48 PHE C C 48 172.231 172.175 0.056 1
1 592 . 5 1 1 A 48 48 PHE CA C 48 56.390 56.160 0.230 1
1 593 . 5 1 1 A 48 48 PHE CB C 48 41.169 40.693 0.476 1
1 596 . 5 1 1 A 48 48 PHE N N 48 115.866 120.265 -4.399 1
1 597 . 5 1 1 A 49 49 GLU H H 49 8.622 8.570 0.052 1
1 598 . 5 1 1 A 49 49 GLU HA H 49 4.907 4.810 0.097 1
1 603 . 5 1 1 A 49 49 GLU CA C 49 51.497 52.948 -1.451 1
1 604 . 5 1 1 A 49 49 GLU CB C 49 28.890 30.721 -1.831 1
1 606 . 5 1 1 A 49 49 GLU N N 49 117.484 120.081 -2.597 1
1 607 . 5 1 1 A 50 50 PRO HA H 50 4.829 5.144 -0.315 1
1 614 . 5 1 1 A 50 50 PRO C C 50 175.925 175.390 0.535 1
1 615 . 5 1 1 A 50 50 PRO CA C 50 62.593 62.258 0.335 1
1 616 . 5 1 1 A 50 50 PRO CB C 50 32.917 32.415 0.502 1
1 619 . 5 1 1 A 51 51 THR H H 51 7.621 8.923 -1.302 1
1 620 . 5 1 1 A 51 51 THR HA H 51 4.742 5.005 -0.263 1
1 625 . 5 1 1 A 51 51 THR C C 51 172.074 172.989 -0.915 1
1 626 . 5 1 1 A 51 51 THR CA C 51 60.558 60.134 0.424 1
1 627 . 5 1 1 A 51 51 THR CB C 51 68.841 71.863 -3.022 1
1 629 . 5 1 1 A 51 51 THR N N 51 112.909 116.757 -3.848 1
1 630 . 5 1 1 A 52 52 THR H H 52 8.367 8.734 -0.367 1
1 631 . 5 1 1 A 52 52 THR HA H 52 4.975 4.853 0.122 1
1 636 . 5 1 1 A 52 52 THR C C 52 173.047 173.855 -0.808 1
1 637 . 5 1 1 A 52 52 THR CA C 52 60.794 61.670 -0.876 1
1 638 . 5 1 1 A 52 52 THR CB C 52 71.210 70.901 0.309 1
1 640 . 5 1 1 A 52 52 THR N N 52 117.260 121.258 -3.998 1
1 641 . 5 1 1 A 53 53 ASN H H 53 8.827 8.711 0.116 1
1 642 . 5 1 1 A 53 53 ASN HA H 53 4.756 5.117 -0.361 1
1 647 . 5 1 1 A 53 53 ASN CA C 53 53.430 51.392 2.038 1
1 648 . 5 1 1 A 53 53 ASN CB C 53 38.660 42.381 -3.721 1
1 649 . 5 1 1 A 53 53 ASN N N 53 122.737 121.049 1.688 1
1 651 . 5 1 1 A 54 54 ASN HA H 54 4.420 4.521 -0.101 1
1 656 . 5 1 1 A 54 54 ASN C C 54 176.154 175.837 0.317 1
1 657 . 5 1 1 A 54 54 ASN CA C 54 55.580 55.225 0.355 1
1 658 . 5 1 1 A 54 54 ASN CB C 54 36.917 38.098 -1.181 1
1 660 . 5 1 1 A 55 55 LYS H H 55 8.190 7.854 0.336 1
1 661 . 5 1 1 A 55 55 LYS HA H 55 4.225 4.360 -0.135 1
1 670 . 5 1 1 A 55 55 LYS C C 55 176.154 176.031 0.123 1
1 671 . 5 1 1 A 55 55 LYS CA C 55 55.113 55.119 -0.006 1
1 672 . 5 1 1 A 55 55 LYS CB C 55 31.703 32.530 -0.827 1
1 676 . 5 1 1 A 55 55 LYS N N 55 117.935 113.533 4.402 1
1 677 . 5 1 1 A 56 56 GLY H H 56 7.966 6.831 1.135 1
1 678 . 5 1 1 A 56 56 GLY HA2 H 56 4.496 4.151 0.345 1
1 679 . 5 1 1 A 56 56 GLY HA3 H 56 3.794 4.168 -0.374 1
1 680 . 5 1 1 A 56 56 GLY C C 56 173.262 172.308 0.954 1
1 681 . 5 1 1 A 56 56 GLY CA C 56 44.177 44.246 -0.069 1
1 682 . 5 1 1 A 56 56 GLY N N 56 108.898 107.808 1.090 1
1 683 . 5 1 1 A 57 57 LEU H H 57 8.716 8.370 0.346 1
1 684 . 5 1 1 A 57 57 LEU HA H 57 4.442 4.630 -0.188 1
1 694 . 5 1 1 A 57 57 LEU C C 57 178.488 175.794 2.694 1
1 695 . 5 1 1 A 57 57 LEU CA C 57 56.424 54.808 1.616 1
1 696 . 5 1 1 A 57 57 LEU CB C 57 42.582 42.482 0.100 1
1 700 . 5 1 1 A 57 57 LEU N N 57 122.286 122.983 -0.697 1
1 701 . 5 1 1 A 58 58 SER H H 58 9.033 8.858 0.175 1
1 702 . 5 1 1 A 58 58 SER HA H 58 5.696 5.013 0.683 1
1 705 . 5 1 1 A 58 58 SER C C 58 173.820 172.675 1.145 1
1 706 . 5 1 1 A 58 58 SER CA C 58 56.715 56.795 -0.080 1
1 707 . 5 1 1 A 58 58 SER CB C 58 65.779 66.940 -1.161 1
1 708 . 5 1 1 A 58 58 SER N N 58 117.913 116.055 1.858 1
1 709 . 5 1 1 A 59 59 ALA H H 59 8.775 8.297 0.478 1
1 710 . 5 1 1 A 59 59 ALA HA H 59 5.409 5.466 -0.057 1
1 714 . 5 1 1 A 59 59 ALA C C 59 174.966 175.525 -0.559 1
1 715 . 5 1 1 A 59 59 ALA CA C 59 50.783 50.572 0.211 1
1 716 . 5 1 1 A 59 59 ALA CB C 59 23.985 23.260 0.725 1
1 717 . 5 1 1 A 59 59 ALA N N 59 125.556 121.960 3.596 1
1 718 . 5 1 1 A 60 60 TYR H H 60 9.347 8.714 0.633 1
1 719 . 5 1 1 A 60 60 TYR HA H 60 5.030 5.012 0.018 1
1 726 . 5 1 1 A 60 60 TYR C C 60 171.673 174.043 -2.370 1
1 727 . 5 1 1 A 60 60 TYR CA C 60 55.484 55.979 -0.495 1
1 728 . 5 1 1 A 60 60 TYR CB C 60 39.502 41.121 -1.619 1
1 731 . 5 1 1 A 60 60 TYR N N 60 118.946 116.926 2.020 1
1 732 . 5 1 1 A 61 61 ALA H H 61 9.176 8.660 0.516 1
1 733 . 5 1 1 A 61 61 ALA HA H 61 4.116 3.941 0.175 1
1 737 . 5 1 1 A 61 61 ALA C C 61 175.825 176.681 -0.856 1
1 738 . 5 1 1 A 61 61 ALA CA C 61 52.809 52.912 -0.103 1
1 739 . 5 1 1 A 61 61 ALA CB C 61 16.597 17.320 -0.723 1
1 740 . 5 1 1 A 61 61 ALA N N 61 124.113 120.608 3.505 1
1 741 . 5 1 1 A 62 62 VAL H H 62 7.968 8.091 -0.123 1
1 742 . 5 1 1 A 62 62 VAL HA H 62 4.300 4.289 0.011 1
1 750 . 5 1 1 A 62 62 VAL C C 62 175.395 175.584 -0.189 1
1 751 . 5 1 1 A 62 62 VAL CA C 62 62.252 62.856 -0.604 1
1 752 . 5 1 1 A 62 62 VAL CB C 62 31.435 31.669 -0.234 1
1 755 . 5 1 1 A 62 62 VAL N N 62 116.561 118.340 -1.779 1
1 756 . 5 1 1 A 63 63 LYS H H 63 9.208 9.052 0.156 1
1 757 . 5 1 1 A 63 63 LYS HA H 63 4.633 5.266 -0.633 1
1 766 . 5 1 1 A 63 63 LYS C C 63 175.238 175.139 0.099 1
1 767 . 5 1 1 A 63 63 LYS CA C 63 54.729 54.709 0.020 1
1 768 . 5 1 1 A 63 63 LYS CB C 63 34.859 35.136 -0.277 1
1 772 . 5 1 1 A 63 63 LYS N N 63 128.892 124.392 4.500 1
1 773 . 5 1 1 A 64 64 VAL H H 64 9.588 8.907 0.681 1
1 774 . 5 1 1 A 64 64 VAL HA H 64 4.345 4.263 0.082 1
1 782 . 5 1 1 A 64 64 VAL C C 64 176.856 175.450 1.406 1
1 783 . 5 1 1 A 64 64 VAL CA C 64 62.563 62.451 0.112 1
1 784 . 5 1 1 A 64 64 VAL CB C 64 30.916 32.016 -1.100 1
1 787 . 5 1 1 A 64 64 VAL N N 64 126.595 124.697 1.898 1
1 788 . 5 1 1 A 65 65 VAL H H 65 8.597 8.920 -0.323 1
1 789 . 5 1 1 A 65 65 VAL HA H 65 4.370 4.578 -0.208 1
1 797 . 5 1 1 A 65 65 VAL CA C 65 62.480 59.383 3.097 1
1 798 . 5 1 1 A 65 65 VAL CB C 65 32.436 32.077 0.359 1
1 801 . 5 1 1 A 65 65 VAL N N 65 127.945 126.669 1.276 1
1 802 . 5 1 1 A 66 66 PRO HA H 66 4.385 4.483 -0.098 1
1 809 . 5 1 1 A 66 66 PRO C C 66 176.627 176.855 -0.228 1
1 810 . 5 1 1 A 66 66 PRO CA C 66 62.511 63.123 -0.612 1
1 811 . 5 1 1 A 66 66 PRO CB C 66 31.875 32.599 -0.724 1
1 814 . 5 1 1 A 67 67 LEU H H 67 8.236 8.625 -0.389 1
1 815 . 5 1 1 A 67 67 LEU HA H 67 4.181 3.975 0.206 1
1 825 . 5 1 1 A 67 67 LEU C C 67 177.357 177.105 0.252 1
1 826 . 5 1 1 A 67 67 LEU CA C 67 55.352 57.420 -2.068 1
1 827 . 5 1 1 A 67 67 LEU CB C 67 42.355 39.824 2.531 1
1 831 . 5 1 1 A 67 67 LEU N N 67 122.691 117.132 5.559 1
1 832 . 5 1 1 A 68 68 GLU H H 68 8.432 8.839 -0.407 1
1 833 . 5 1 1 A 68 68 GLU HA H 68 4.184 4.013 0.171 1
1 838 . 5 1 1 A 68 68 GLU C C 68 176.054 176.264 -0.210 1
1 839 . 5 1 1 A 68 68 GLU CA C 68 56.250 59.390 -3.140 1
1 840 . 5 1 1 A 68 68 GLU CB C 68 30.077 29.571 0.506 1
1 842 . 5 1 1 A 68 68 GLU N N 68 121.298 119.061 2.237 1
1 843 . 5 1 1 A 69 69 HIS H H 69 8.303 8.096 0.207 1
1 844 . 5 1 1 A 69 69 HIS HA H 69 4.517 4.748 -0.231 1
1 849 . 5 1 1 A 69 69 HIS C C 69 173.863 174.041 -0.178 1
1 850 . 5 1 1 A 69 69 HIS CA C 69 55.663 54.072 1.591 1
1 851 . 5 1 1 A 69 69 HIS CB C 69 29.904 30.144 -0.240 1
1 1 . 6 1 1 A 2 2 ALA HA H 2 3.908 4.307 -0.399 1
1 5 . 6 1 1 A 2 2 ALA C C 2 174.665 177.229 -2.564 1
1 6 . 6 1 1 A 2 2 ALA CA C 2 51.696 53.026 -1.330 1
1 7 . 6 1 1 A 2 2 ALA CB C 2 19.380 19.060 0.320 1
1 8 . 6 1 1 A 3 3 MET H H 3 8.516 8.529 -0.013 1
1 9 . 6 1 1 A 3 3 MET HA H 3 4.349 4.850 -0.501 1
1 17 . 6 1 1 A 3 3 MET C C 3 173.119 174.884 -1.765 1
1 18 . 6 1 1 A 3 3 MET CA C 3 54.457 53.745 0.712 1
1 19 . 6 1 1 A 3 3 MET CB C 3 37.020 33.717 3.303 1
1 22 . 6 1 1 A 3 3 MET N N 3 118.958 122.044 -3.086 1
1 23 . 6 1 1 A 4 4 ASN H H 4 8.627 8.628 -0.001 1
1 24 . 6 1 1 A 4 4 ASN HA H 4 5.470 5.721 -0.251 1
1 29 . 6 1 1 A 4 4 ASN C C 4 175.782 174.992 0.790 1
1 30 . 6 1 1 A 4 4 ASN CA C 4 52.043 51.775 0.268 1
1 31 . 6 1 1 A 4 4 ASN CB C 4 41.102 40.307 0.795 1
1 32 . 6 1 1 A 4 4 ASN N N 4 116.608 118.148 -1.540 1
1 34 . 6 1 1 A 5 5 GLY H H 5 8.444 8.741 -0.297 1
1 35 . 6 1 1 A 5 5 GLY HA2 H 5 4.652 4.491 0.161 1
1 36 . 6 1 1 A 5 5 GLY HA3 H 5 3.710 4.717 -1.007 1
1 37 . 6 1 1 A 5 5 GLY C C 5 171.487 171.787 -0.300 1
1 38 . 6 1 1 A 5 5 GLY CA C 5 46.682 45.221 1.461 1
1 39 . 6 1 1 A 5 5 GLY N N 5 104.747 108.867 -4.120 1
1 40 . 6 1 1 A 6 6 THR H H 6 8.303 9.672 -1.369 1
1 41 . 6 1 1 A 6 6 THR HA H 6 5.193 5.188 0.005 1
1 46 . 6 1 1 A 6 6 THR C C 6 173.634 174.141 -0.507 1
1 47 . 6 1 1 A 6 6 THR CA C 6 60.367 61.314 -0.947 1
1 48 . 6 1 1 A 6 6 THR CB C 6 72.071 70.527 1.544 1
1 50 . 6 1 1 A 6 6 THR N N 6 114.893 115.416 -0.523 1
1 51 . 6 1 1 A 7 7 ILE H H 7 8.887 9.030 -0.143 1
1 52 . 6 1 1 A 7 7 ILE HA H 7 4.189 4.045 0.144 1
1 62 . 6 1 1 A 7 7 ILE C C 7 175.782 176.819 -1.037 1
1 63 . 6 1 1 A 7 7 ILE CA C 7 62.394 61.654 0.740 1
1 64 . 6 1 1 A 7 7 ILE CB C 7 37.461 36.676 0.785 1
1 68 . 6 1 1 A 7 7 ILE N N 7 125.014 127.175 -2.161 1
1 69 . 6 1 1 A 8 8 THR H H 8 8.968 8.625 0.343 1
1 70 . 6 1 1 A 8 8 THR HA H 8 4.583 4.579 0.004 1
1 75 . 6 1 1 A 8 8 THR C C 8 175.352 174.827 0.525 1
1 76 . 6 1 1 A 8 8 THR CA C 8 62.547 62.331 0.216 1
1 77 . 6 1 1 A 8 8 THR CB C 8 69.324 69.749 -0.425 1
1 79 . 6 1 1 A 8 8 THR N N 8 123.264 119.276 3.988 1
1 80 . 6 1 1 A 9 9 THR H H 9 7.744 7.566 0.178 1
1 81 . 6 1 1 A 9 9 THR HA H 9 4.408 5.035 -0.627 1
1 86 . 6 1 1 A 9 9 THR C C 9 171.759 172.688 -0.929 1
1 87 . 6 1 1 A 9 9 THR CA C 9 61.370 61.566 -0.196 1
1 88 . 6 1 1 A 9 9 THR CB C 9 72.472 71.410 1.062 1
1 90 . 6 1 1 A 9 9 THR N N 9 116.608 115.287 1.321 1
1 91 . 6 1 1 A 10 10 TRP H H 10 8.620 8.507 0.113 1
1 92 . 6 1 1 A 10 10 TRP HA H 10 4.844 5.206 -0.362 1
1 101 . 6 1 1 A 10 10 TRP C C 10 172.833 174.208 -1.375 1
1 102 . 6 1 1 A 10 10 TRP CA C 10 55.471 56.071 -0.600 1
1 103 . 6 1 1 A 10 10 TRP CB C 10 32.843 32.767 0.076 1
1 109 . 6 1 1 A 10 10 TRP N N 10 126.095 127.840 -1.745 1
1 111 . 6 1 1 A 11 11 PHE H H 11 7.892 8.965 -1.073 1
1 112 . 6 1 1 A 11 11 PHE HA H 11 4.508 4.756 -0.248 1
1 120 . 6 1 1 A 11 11 PHE C C 11 174.493 175.393 -0.900 1
1 121 . 6 1 1 A 11 11 PHE CA C 11 54.001 56.141 -2.140 1
1 122 . 6 1 1 A 11 11 PHE CB C 11 36.906 38.305 -1.399 1
1 126 . 6 1 1 A 11 11 PHE N N 11 127.953 126.459 1.494 1
1 127 . 6 1 1 A 12 12 LYS H H 12 7.844 8.178 -0.334 1
1 128 . 6 1 1 A 12 12 LYS HA H 12 2.844 3.808 -0.964 1
1 137 . 6 1 1 A 12 12 LYS C C 12 177.701 177.613 0.088 1
1 138 . 6 1 1 A 12 12 LYS CA C 12 59.164 59.457 -0.293 1
1 139 . 6 1 1 A 12 12 LYS CB C 12 32.427 32.406 0.021 1
1 143 . 6 1 1 A 12 12 LYS N N 12 125.042 124.902 0.140 1
1 144 . 6 1 1 A 13 13 ASP H H 13 8.638 7.939 0.699 1
1 145 . 6 1 1 A 13 13 ASP HA H 13 4.281 4.438 -0.157 1
1 148 . 6 1 1 A 13 13 ASP C C 13 176.827 177.333 -0.506 1
1 149 . 6 1 1 A 13 13 ASP CA C 13 55.401 57.080 -1.679 1
1 150 . 6 1 1 A 13 13 ASP CB C 13 39.349 41.476 -2.127 1
1 151 . 6 1 1 A 13 13 ASP N N 13 114.668 119.019 -4.351 1
1 152 . 6 1 1 A 14 14 LYS H H 14 6.965 7.688 -0.723 1
1 153 . 6 1 1 A 14 14 LYS HA H 14 4.425 4.542 -0.117 1
1 162 . 6 1 1 A 14 14 LYS C C 14 176.913 177.480 -0.567 1
1 163 . 6 1 1 A 14 14 LYS CA C 14 55.288 55.883 -0.595 1
1 164 . 6 1 1 A 14 14 LYS CB C 14 34.562 34.542 0.020 1
1 168 . 6 1 1 A 14 14 LYS N N 14 116.507 116.364 0.143 1
1 169 . 6 1 1 A 15 15 GLY H H 15 7.619 8.694 -1.075 1
1 170 . 6 1 1 A 15 15 GLY HA2 H 15 3.875 3.682 0.193 1
1 171 . 6 1 1 A 15 15 GLY HA3 H 15 3.499 3.765 -0.266 1
1 172 . 6 1 1 A 15 15 GLY C C 15 171.358 174.331 -2.973 1
1 173 . 6 1 1 A 15 15 GLY CA C 15 46.020 45.343 0.677 1
1 174 . 6 1 1 A 15 15 GLY N N 15 107.093 107.733 -0.640 1
1 175 . 6 1 1 A 16 16 PHE H H 16 6.663 7.519 -0.856 1
1 176 . 6 1 1 A 16 16 PHE HA H 16 4.866 4.527 0.339 1
1 183 . 6 1 1 A 16 16 PHE C C 16 171.472 175.353 -3.881 1
1 184 . 6 1 1 A 16 16 PHE CA C 16 54.765 56.813 -2.048 1
1 185 . 6 1 1 A 16 16 PHE CB C 16 41.805 41.422 0.383 1
1 188 . 6 1 1 A 16 16 PHE N N 16 112.369 118.791 -6.422 1
1 189 . 6 1 1 A 17 17 GLY H H 17 7.436 8.191 -0.755 1
1 190 . 6 1 1 A 17 17 GLY HA2 H 17 3.951 4.195 -0.244 1
1 191 . 6 1 1 A 17 17 GLY HA3 H 17 3.399 4.525 -1.126 1
1 192 . 6 1 1 A 17 17 GLY C C 17 169.926 171.432 -1.506 1
1 193 . 6 1 1 A 17 17 GLY CA C 17 45.073 45.591 -0.518 1
1 194 . 6 1 1 A 17 17 GLY N N 17 105.719 108.303 -2.584 1
1 195 . 6 1 1 A 18 18 PHE H H 18 8.505 9.425 -0.920 1
1 196 . 6 1 1 A 18 18 PHE HA H 18 5.728 5.530 0.198 1
1 204 . 6 1 1 A 18 18 PHE C C 18 175.023 174.863 0.160 1
1 205 . 6 1 1 A 18 18 PHE CA C 18 56.493 56.270 0.223 1
1 206 . 6 1 1 A 18 18 PHE CB C 18 43.783 42.649 1.134 1
1 210 . 6 1 1 A 18 18 PHE N N 18 113.767 119.096 -5.329 1
1 211 . 6 1 1 A 19 19 ILE H H 19 9.615 8.863 0.752 1
1 212 . 6 1 1 A 19 19 ILE HA H 19 4.679 4.761 -0.082 1
1 222 . 6 1 1 A 19 19 ILE C C 19 174.894 174.488 0.406 1
1 223 . 6 1 1 A 19 19 ILE CA C 19 58.585 60.191 -1.606 1
1 224 . 6 1 1 A 19 19 ILE CB C 19 43.854 40.410 3.444 1
1 228 . 6 1 1 A 19 19 ILE N N 19 122.746 123.126 -0.380 1
1 229 . 6 1 1 A 20 20 LYS H H 20 8.971 8.872 0.099 1
1 230 . 6 1 1 A 20 20 LYS HA H 20 5.241 5.019 0.222 1
1 239 . 6 1 1 A 20 20 LYS C C 20 177.413 176.209 1.204 1
1 240 . 6 1 1 A 20 20 LYS CA C 20 54.622 55.161 -0.539 1
1 241 . 6 1 1 A 20 20 LYS CB C 20 33.070 33.966 -0.896 1
1 245 . 6 1 1 A 20 20 LYS N N 20 127.450 128.220 -0.770 1
1 246 . 6 1 1 A 21 21 ASP H H 21 9.363 8.323 1.040 1
1 247 . 6 1 1 A 21 21 ASP HA H 21 5.241 5.059 0.182 1
1 250 . 6 1 1 A 21 21 ASP C C 21 178.431 177.022 1.409 1
1 251 . 6 1 1 A 21 21 ASP CA C 21 52.981 52.741 0.240 1
1 252 . 6 1 1 A 21 21 ASP CB C 21 44.583 41.657 2.926 1
1 253 . 6 1 1 A 21 21 ASP N N 21 129.797 126.263 3.534 1
1 254 . 6 1 1 A 22 22 GLU H H 22 8.127 8.376 -0.249 1
1 255 . 6 1 1 A 22 22 GLU HA H 22 4.264 4.252 0.012 1
1 260 . 6 1 1 A 22 22 GLU C C 22 176.226 178.005 -1.779 1
1 261 . 6 1 1 A 22 22 GLU CA C 22 57.515 58.045 -0.530 1
1 262 . 6 1 1 A 22 22 GLU CB C 22 29.830 29.566 0.264 1
1 264 . 6 1 1 A 22 22 GLU N N 22 115.545 119.119 -3.574 1
1 265 . 6 1 1 A 23 23 ASN H H 23 8.606 7.913 0.693 1
1 266 . 6 1 1 A 23 23 ASN HA H 23 4.963 4.771 0.192 1
1 271 . 6 1 1 A 23 23 ASN C C 23 175.582 175.478 0.104 1
1 272 . 6 1 1 A 23 23 ASN CA C 23 52.968 53.976 -1.008 1
1 273 . 6 1 1 A 23 23 ASN CB C 23 39.172 39.226 -0.054 1
1 274 . 6 1 1 A 23 23 ASN N N 23 118.707 117.436 1.271 1
1 276 . 6 1 1 A 24 24 GLY H H 24 8.451 8.258 0.193 1
1 277 . 6 1 1 A 24 24 GLY HA2 H 24 4.323 4.085 0.238 1
1 278 . 6 1 1 A 24 24 GLY HA3 H 24 3.484 4.092 -0.608 1
1 279 . 6 1 1 A 24 24 GLY C C 24 174.121 173.374 0.747 1
1 280 . 6 1 1 A 24 24 GLY CA C 24 44.816 45.394 -0.578 1
1 281 . 6 1 1 A 24 24 GLY N N 24 108.999 106.823 2.176 1
1 282 . 6 1 1 A 25 25 ASP H H 25 8.326 8.179 0.147 1
1 283 . 6 1 1 A 25 25 ASP HA H 25 4.792 5.299 -0.507 1
1 286 . 6 1 1 A 25 25 ASP C C 25 173.047 174.202 -1.155 1
1 287 . 6 1 1 A 25 25 ASP CA C 25 54.677 53.016 1.661 1
1 288 . 6 1 1 A 25 25 ASP CB C 25 41.577 45.275 -3.698 1
1 289 . 6 1 1 A 25 25 ASP N N 25 121.814 119.451 2.363 1
1 290 . 6 1 1 A 26 26 ASN H H 26 8.503 8.835 -0.332 1
1 291 . 6 1 1 A 26 26 ASN HA H 26 5.607 5.739 -0.132 1
1 296 . 6 1 1 A 26 26 ASN C C 26 175.496 174.501 0.995 1
1 297 . 6 1 1 A 26 26 ASN CA C 26 52.290 51.607 0.683 1
1 298 . 6 1 1 A 26 26 ASN CB C 26 40.017 40.681 -0.664 1
1 299 . 6 1 1 A 26 26 ASN N N 26 119.224 119.831 -0.607 1
1 301 . 6 1 1 A 27 27 ARG H H 27 9.884 8.691 1.193 1
1 302 . 6 1 1 A 27 27 ARG HA H 27 4.720 5.003 -0.283 1
1 309 . 6 1 1 A 27 27 ARG C C 27 174.665 174.894 -0.229 1
1 310 . 6 1 1 A 27 27 ARG CA C 27 54.314 54.537 -0.223 1
1 311 . 6 1 1 A 27 27 ARG CB C 27 33.562 33.444 0.118 1
1 314 . 6 1 1 A 27 27 ARG N N 27 122.242 123.153 -0.911 1
1 315 . 6 1 1 A 28 28 TYR H H 28 8.314 8.490 -0.176 1
1 316 . 6 1 1 A 28 28 TYR HA H 28 4.365 4.888 -0.523 1
1 323 . 6 1 1 A 28 28 TYR C C 28 174.765 174.379 0.386 1
1 324 . 6 1 1 A 28 28 TYR CA C 28 58.102 58.711 -0.609 1
1 325 . 6 1 1 A 28 28 TYR CB C 28 39.606 39.483 0.123 1
1 328 . 6 1 1 A 28 28 TYR N N 28 126.908 124.540 2.368 1
1 329 . 6 1 1 A 29 29 PHE H H 29 7.873 9.122 -1.249 1
1 330 . 6 1 1 A 29 29 PHE HA H 29 5.159 4.943 0.216 1
1 338 . 6 1 1 A 29 29 PHE C C 29 169.840 174.446 -4.606 1
1 339 . 6 1 1 A 29 29 PHE CA C 29 56.025 56.454 -0.429 1
1 340 . 6 1 1 A 29 29 PHE CB C 29 42.454 42.191 0.263 1
1 344 . 6 1 1 A 29 29 PHE N N 29 124.137 125.823 -1.686 1
1 345 . 6 1 1 A 30 30 HIS H H 30 8.255 8.472 -0.217 1
1 346 . 6 1 1 A 30 30 HIS HA H 30 4.819 4.872 -0.053 1
1 351 . 6 1 1 A 30 30 HIS C C 30 176.598 175.263 1.335 1
1 352 . 6 1 1 A 30 30 HIS CA C 30 55.040 56.004 -0.964 1
1 353 . 6 1 1 A 30 30 HIS CB C 30 35.066 32.874 2.192 1
1 356 . 6 1 1 A 30 30 HIS N N 30 119.922 121.431 -1.509 1
1 357 . 6 1 1 A 31 31 VAL H H 31 8.390 8.531 -0.141 1
1 358 . 6 1 1 A 31 31 VAL HA H 31 3.911 3.907 0.004 1
1 366 . 6 1 1 A 31 31 VAL C C 31 176.713 176.803 -0.090 1
1 367 . 6 1 1 A 31 31 VAL CA C 31 65.423 65.309 0.114 1
1 368 . 6 1 1 A 31 31 VAL CB C 31 32.354 31.765 0.589 1
1 371 . 6 1 1 A 31 31 VAL N N 31 126.977 124.825 2.152 1
1 372 . 6 1 1 A 32 32 ILE H H 32 10.207 7.502 2.705 1
1 373 . 6 1 1 A 32 32 ILE HA H 32 4.397 3.722 0.675 1
1 383 . 6 1 1 A 32 32 ILE C C 32 177.414 177.252 0.162 1
1 384 . 6 1 1 A 32 32 ILE CA C 32 63.601 63.605 -0.004 1
1 385 . 6 1 1 A 32 32 ILE CB C 32 38.023 37.417 0.606 1
1 389 . 6 1 1 A 32 32 ILE N N 32 123.360 120.575 2.785 1
1 390 . 6 1 1 A 33 33 LYS H H 33 8.435 7.387 1.048 1
1 391 . 6 1 1 A 33 33 LYS HA H 33 4.734 4.424 0.310 1
1 400 . 6 1 1 A 33 33 LYS C C 33 175.037 175.819 -0.782 1
1 401 . 6 1 1 A 33 33 LYS CA C 33 54.046 56.086 -2.040 1
1 402 . 6 1 1 A 33 33 LYS CB C 33 31.743 33.244 -1.501 1
1 406 . 6 1 1 A 33 33 LYS N N 33 118.502 119.472 -0.970 1
1 407 . 6 1 1 A 34 34 VAL H H 34 7.750 7.687 0.063 1
1 408 . 6 1 1 A 34 34 VAL HA H 34 4.672 4.226 0.446 1
1 416 . 6 1 1 A 34 34 VAL C C 34 175.911 175.884 0.027 1
1 417 . 6 1 1 A 34 34 VAL CA C 34 60.255 62.741 -2.486 1
1 418 . 6 1 1 A 34 34 VAL CB C 34 32.064 32.570 -0.506 1
1 421 . 6 1 1 A 34 34 VAL N N 34 120.487 121.109 -0.622 1
1 422 . 6 1 1 A 35 35 ALA H H 35 9.109 8.932 0.177 1
1 423 . 6 1 1 A 35 35 ALA HA H 35 4.143 4.288 -0.145 1
1 427 . 6 1 1 A 35 35 ALA C C 35 177.887 177.803 0.084 1
1 428 . 6 1 1 A 35 35 ALA CA C 35 54.562 54.166 0.396 1
1 429 . 6 1 1 A 35 35 ALA CB C 35 18.880 19.490 -0.610 1
1 430 . 6 1 1 A 35 35 ALA N N 35 129.552 128.137 1.415 1
1 431 . 6 1 1 A 36 36 ASN H H 36 8.169 7.943 0.226 1
1 432 . 6 1 1 A 36 36 ASN HA H 36 5.108 5.093 0.015 1
1 437 . 6 1 1 A 36 36 ASN CA C 36 50.333 50.730 -0.397 1
1 438 . 6 1 1 A 36 36 ASN CB C 36 35.521 38.498 -2.977 1
1 439 . 6 1 1 A 36 36 ASN N N 36 112.302 114.357 -2.055 1
1 441 . 6 1 1 A 37 37 PRO HA H 37 3.891 4.259 -0.368 1
1 448 . 6 1 1 A 37 37 PRO C C 37 177.715 177.363 0.352 1
1 449 . 6 1 1 A 37 37 PRO CA C 37 64.104 64.374 -0.270 1
1 450 . 6 1 1 A 37 37 PRO CB C 37 32.380 31.988 0.392 1
1 453 . 6 1 1 A 38 38 ASP H H 38 8.843 8.327 0.516 1
1 454 . 6 1 1 A 38 38 ASP HA H 38 4.350 4.507 -0.157 1
1 457 . 6 1 1 A 38 38 ASP C C 38 176.942 177.491 -0.549 1
1 458 . 6 1 1 A 38 38 ASP CA C 38 56.035 56.585 -0.550 1
1 459 . 6 1 1 A 38 38 ASP CB C 38 39.249 40.934 -1.685 1
1 460 . 6 1 1 A 38 38 ASP N N 38 118.913 117.885 1.028 1
1 461 . 6 1 1 A 39 39 LEU H H 39 7.548 7.541 0.007 1
1 462 . 6 1 1 A 39 39 LEU HA H 39 4.268 4.211 0.057 1
1 472 . 6 1 1 A 39 39 LEU C C 39 176.727 176.722 0.005 1
1 473 . 6 1 1 A 39 39 LEU CA C 39 54.091 54.768 -0.677 1
1 474 . 6 1 1 A 39 39 LEU CB C 39 41.404 41.554 -0.150 1
1 478 . 6 1 1 A 39 39 LEU N N 39 117.047 117.105 -0.058 1
1 479 . 6 1 1 A 40 40 ILE H H 40 7.047 6.924 0.123 1
1 480 . 6 1 1 A 40 40 ILE HA H 40 2.710 3.683 -0.973 1
1 490 . 6 1 1 A 40 40 ILE C C 40 174.794 175.672 -0.878 1
1 491 . 6 1 1 A 40 40 ILE CA C 40 64.352 61.022 3.330 1
1 492 . 6 1 1 A 40 40 ILE CB C 40 37.301 37.094 0.207 1
1 496 . 6 1 1 A 40 40 ILE N N 40 118.412 120.871 -2.459 1
1 497 . 6 1 1 A 41 41 LYS H H 41 6.395 8.635 -2.240 1
1 498 . 6 1 1 A 41 41 LYS HA H 41 4.246 4.780 -0.534 1
1 507 . 6 1 1 A 41 41 LYS C C 41 174.422 175.086 -0.664 1
1 508 . 6 1 1 A 41 41 LYS CA C 41 54.521 54.051 0.470 1
1 509 . 6 1 1 A 41 41 LYS CB C 41 35.426 36.267 -0.841 1
1 513 . 6 1 1 A 41 41 LYS N N 41 122.843 126.224 -3.381 1
1 514 . 6 1 1 A 42 42 LYS H H 42 8.788 8.482 0.306 1
1 515 . 6 1 1 A 42 42 LYS HA H 42 3.603 3.893 -0.290 1
1 524 . 6 1 1 A 42 42 LYS C C 42 176.169 176.866 -0.697 1
1 525 . 6 1 1 A 42 42 LYS CA C 42 59.038 57.788 1.250 1
1 526 . 6 1 1 A 42 42 LYS CB C 42 31.981 32.573 -0.592 1
1 530 . 6 1 1 A 42 42 LYS N N 42 122.219 122.155 0.064 1
1 531 . 6 1 1 A 43 43 ASP H H 43 9.183 9.218 -0.035 1
1 532 . 6 1 1 A 43 43 ASP HA H 43 4.191 4.269 -0.078 1
1 535 . 6 1 1 A 43 43 ASP C C 43 174.866 175.018 -0.152 1
1 536 . 6 1 1 A 43 43 ASP CA C 43 57.064 55.519 1.545 1
1 537 . 6 1 1 A 43 43 ASP CB C 43 38.724 40.499 -1.775 1
1 538 . 6 1 1 A 43 43 ASP N N 43 119.807 125.530 -5.723 1
1 539 . 6 1 1 A 44 44 ALA H H 44 7.669 7.346 0.323 1
1 540 . 6 1 1 A 44 44 ALA HA H 44 4.273 4.396 -0.123 1
1 544 . 6 1 1 A 44 44 ALA C C 44 176.197 176.645 -0.448 1
1 545 . 6 1 1 A 44 44 ALA CA C 44 52.503 51.894 0.609 1
1 546 . 6 1 1 A 44 44 ALA CB C 44 19.511 20.073 -0.562 1
1 547 . 6 1 1 A 44 44 ALA N N 44 121.785 122.880 -1.095 1
1 548 . 6 1 1 A 45 45 ALA H H 45 8.522 8.577 -0.055 1
1 549 . 6 1 1 A 45 45 ALA HA H 45 4.820 5.407 -0.587 1
1 553 . 6 1 1 A 45 45 ALA C C 45 177.128 176.806 0.322 1
1 554 . 6 1 1 A 45 45 ALA CA C 45 51.512 50.446 1.066 1
1 555 . 6 1 1 A 45 45 ALA CB C 45 19.306 21.234 -1.928 1
1 556 . 6 1 1 A 45 45 ALA N N 45 125.014 122.821 2.193 1
1 557 . 6 1 1 A 46 46 VAL H H 46 8.358 9.216 -0.858 1
1 558 . 6 1 1 A 46 46 VAL HA H 46 5.659 5.007 0.652 1
1 566 . 6 1 1 A 46 46 VAL C C 46 177.199 174.565 2.634 1
1 567 . 6 1 1 A 46 46 VAL CA C 46 57.919 59.238 -1.319 1
1 568 . 6 1 1 A 46 46 VAL CB C 46 36.362 35.571 0.791 1
1 571 . 6 1 1 A 46 46 VAL N N 46 109.774 116.351 -6.577 1
1 572 . 6 1 1 A 47 47 THR H H 47 8.902 9.294 -0.392 1
1 573 . 6 1 1 A 47 47 THR HA H 47 5.462 5.588 -0.126 1
1 578 . 6 1 1 A 47 47 THR C C 47 173.405 173.896 -0.491 1
1 579 . 6 1 1 A 47 47 THR CA C 47 60.139 59.645 0.494 1
1 580 . 6 1 1 A 47 47 THR CB C 47 71.233 71.159 0.074 1
1 582 . 6 1 1 A 47 47 THR N N 47 112.758 115.150 -2.392 1
1 583 . 6 1 1 A 48 48 PHE H H 48 8.423 8.522 -0.099 1
1 584 . 6 1 1 A 48 48 PHE HA H 48 5.099 5.331 -0.232 1
1 591 . 6 1 1 A 48 48 PHE C C 48 172.231 172.306 -0.075 1
1 592 . 6 1 1 A 48 48 PHE CA C 48 56.390 55.422 0.968 1
1 593 . 6 1 1 A 48 48 PHE CB C 48 41.169 42.109 -0.940 1
1 596 . 6 1 1 A 48 48 PHE N N 48 115.866 118.735 -2.869 1
1 597 . 6 1 1 A 49 49 GLU H H 49 8.622 8.831 -0.209 1
1 598 . 6 1 1 A 49 49 GLU HA H 49 4.907 4.715 0.192 1
1 603 . 6 1 1 A 49 49 GLU CA C 49 51.497 53.079 -1.582 1
1 604 . 6 1 1 A 49 49 GLU CB C 49 28.890 29.827 -0.937 1
1 606 . 6 1 1 A 49 49 GLU N N 49 117.484 120.547 -3.063 1
1 607 . 6 1 1 A 50 50 PRO HA H 50 4.829 5.049 -0.220 1
1 614 . 6 1 1 A 50 50 PRO C C 50 175.925 175.346 0.579 1
1 615 . 6 1 1 A 50 50 PRO CA C 50 62.593 62.482 0.111 1
1 616 . 6 1 1 A 50 50 PRO CB C 50 32.917 32.275 0.642 1
1 619 . 6 1 1 A 51 51 THR H H 51 7.621 8.701 -1.080 1
1 620 . 6 1 1 A 51 51 THR HA H 51 4.742 4.915 -0.173 1
1 625 . 6 1 1 A 51 51 THR C C 51 172.074 172.544 -0.470 1
1 626 . 6 1 1 A 51 51 THR CA C 51 60.558 60.480 0.078 1
1 627 . 6 1 1 A 51 51 THR CB C 51 68.841 70.210 -1.369 1
1 629 . 6 1 1 A 51 51 THR N N 51 112.909 116.656 -3.747 1
1 630 . 6 1 1 A 52 52 THR H H 52 8.367 8.839 -0.472 1
1 631 . 6 1 1 A 52 52 THR HA H 52 4.975 5.293 -0.318 1
1 636 . 6 1 1 A 52 52 THR C C 52 173.047 173.072 -0.025 1
1 637 . 6 1 1 A 52 52 THR CA C 52 60.794 59.569 1.225 1
1 638 . 6 1 1 A 52 52 THR CB C 52 71.210 71.481 -0.271 1
1 640 . 6 1 1 A 52 52 THR N N 52 117.260 115.044 2.216 1
1 641 . 6 1 1 A 53 53 ASN H H 53 8.827 8.912 -0.085 1
1 642 . 6 1 1 A 53 53 ASN HA H 53 4.756 5.153 -0.397 1
1 647 . 6 1 1 A 53 53 ASN CA C 53 53.430 51.458 1.972 1
1 648 . 6 1 1 A 53 53 ASN CB C 53 38.660 42.310 -3.650 1
1 649 . 6 1 1 A 53 53 ASN N N 53 122.737 120.325 2.412 1
1 651 . 6 1 1 A 54 54 ASN HA H 54 4.420 4.500 -0.080 1
1 656 . 6 1 1 A 54 54 ASN C C 54 176.154 177.197 -1.043 1
1 657 . 6 1 1 A 54 54 ASN CA C 54 55.580 55.877 -0.297 1
1 658 . 6 1 1 A 54 54 ASN CB C 54 36.917 38.467 -1.550 1
1 660 . 6 1 1 A 55 55 LYS H H 55 8.190 7.517 0.673 1
1 661 . 6 1 1 A 55 55 LYS HA H 55 4.225 4.247 -0.022 1
1 670 . 6 1 1 A 55 55 LYS C C 55 176.154 176.883 -0.729 1
1 671 . 6 1 1 A 55 55 LYS CA C 55 55.113 56.355 -1.242 1
1 672 . 6 1 1 A 55 55 LYS CB C 55 31.703 32.697 -0.994 1
1 676 . 6 1 1 A 55 55 LYS N N 55 117.935 116.313 1.622 1
1 677 . 6 1 1 A 56 56 GLY H H 56 7.966 7.401 0.565 1
1 678 . 6 1 1 A 56 56 GLY HA2 H 56 4.496 4.304 0.192 1
1 679 . 6 1 1 A 56 56 GLY HA3 H 56 3.794 4.317 -0.523 1
1 680 . 6 1 1 A 56 56 GLY C C 56 173.262 172.677 0.585 1
1 681 . 6 1 1 A 56 56 GLY CA C 56 44.177 44.480 -0.303 1
1 682 . 6 1 1 A 56 56 GLY N N 56 108.898 106.665 2.233 1
1 683 . 6 1 1 A 57 57 LEU H H 57 8.716 8.353 0.363 1
1 684 . 6 1 1 A 57 57 LEU HA H 57 4.442 4.558 -0.116 1
1 694 . 6 1 1 A 57 57 LEU C C 57 178.488 175.749 2.739 1
1 695 . 6 1 1 A 57 57 LEU CA C 57 56.424 55.142 1.282 1
1 696 . 6 1 1 A 57 57 LEU CB C 57 42.582 42.267 0.315 1
1 700 . 6 1 1 A 57 57 LEU N N 57 122.286 124.756 -2.470 1
1 701 . 6 1 1 A 58 58 SER H H 58 9.033 8.630 0.403 1
1 702 . 6 1 1 A 58 58 SER HA H 58 5.696 4.944 0.752 1
1 705 . 6 1 1 A 58 58 SER C C 58 173.820 172.061 1.759 1
1 706 . 6 1 1 A 58 58 SER CA C 58 56.715 57.826 -1.111 1
1 707 . 6 1 1 A 58 58 SER CB C 58 65.779 67.182 -1.403 1
1 708 . 6 1 1 A 58 58 SER N N 58 117.913 116.896 1.017 1
1 709 . 6 1 1 A 59 59 ALA H H 59 8.775 8.297 0.478 1
1 710 . 6 1 1 A 59 59 ALA HA H 59 5.409 5.517 -0.108 1
1 714 . 6 1 1 A 59 59 ALA C C 59 174.966 175.328 -0.362 1
1 715 . 6 1 1 A 59 59 ALA CA C 59 50.783 50.332 0.451 1
1 716 . 6 1 1 A 59 59 ALA CB C 59 23.985 23.092 0.893 1
1 717 . 6 1 1 A 59 59 ALA N N 59 125.556 123.439 2.117 1
1 718 . 6 1 1 A 60 60 TYR H H 60 9.347 8.620 0.727 1
1 719 . 6 1 1 A 60 60 TYR HA H 60 5.030 5.042 -0.012 1
1 726 . 6 1 1 A 60 60 TYR C C 60 171.673 174.108 -2.435 1
1 727 . 6 1 1 A 60 60 TYR CA C 60 55.484 55.848 -0.364 1
1 728 . 6 1 1 A 60 60 TYR CB C 60 39.502 41.298 -1.796 1
1 731 . 6 1 1 A 60 60 TYR N N 60 118.946 117.421 1.525 1
1 732 . 6 1 1 A 61 61 ALA H H 61 9.176 8.653 0.523 1
1 733 . 6 1 1 A 61 61 ALA HA H 61 4.116 3.913 0.203 1
1 737 . 6 1 1 A 61 61 ALA C C 61 175.825 176.580 -0.755 1
1 738 . 6 1 1 A 61 61 ALA CA C 61 52.809 52.874 -0.065 1
1 739 . 6 1 1 A 61 61 ALA CB C 61 16.597 17.261 -0.664 1
1 740 . 6 1 1 A 61 61 ALA N N 61 124.113 120.578 3.535 1
1 741 . 6 1 1 A 62 62 VAL H H 62 7.968 8.215 -0.247 1
1 742 . 6 1 1 A 62 62 VAL HA H 62 4.300 4.156 0.144 1
1 750 . 6 1 1 A 62 62 VAL C C 62 175.395 174.902 0.493 1
1 751 . 6 1 1 A 62 62 VAL CA C 62 62.252 62.941 -0.689 1
1 752 . 6 1 1 A 62 62 VAL CB C 62 31.435 31.105 0.330 1
1 755 . 6 1 1 A 62 62 VAL N N 62 116.561 118.358 -1.797 1
1 756 . 6 1 1 A 63 63 LYS H H 63 9.208 9.122 0.086 1
1 757 . 6 1 1 A 63 63 LYS HA H 63 4.633 4.920 -0.287 1
1 766 . 6 1 1 A 63 63 LYS C C 63 175.238 175.860 -0.622 1
1 767 . 6 1 1 A 63 63 LYS CA C 63 54.729 54.940 -0.211 1
1 768 . 6 1 1 A 63 63 LYS CB C 63 34.859 34.196 0.663 1
1 772 . 6 1 1 A 63 63 LYS N N 63 128.892 129.100 -0.208 1
1 773 . 6 1 1 A 64 64 VAL H H 64 9.588 8.774 0.814 1
1 774 . 6 1 1 A 64 64 VAL HA H 64 4.345 4.150 0.195 1
1 782 . 6 1 1 A 64 64 VAL C C 64 176.856 175.629 1.227 1
1 783 . 6 1 1 A 64 64 VAL CA C 64 62.563 62.602 -0.039 1
1 784 . 6 1 1 A 64 64 VAL CB C 64 30.916 32.013 -1.097 1
1 787 . 6 1 1 A 64 64 VAL N N 64 126.595 127.662 -1.067 1
1 788 . 6 1 1 A 65 65 VAL H H 65 8.597 8.784 -0.187 1
1 789 . 6 1 1 A 65 65 VAL HA H 65 4.370 4.489 -0.119 1
1 797 . 6 1 1 A 65 65 VAL CA C 65 62.480 59.343 3.137 1
1 798 . 6 1 1 A 65 65 VAL CB C 65 32.436 31.913 0.523 1
1 801 . 6 1 1 A 65 65 VAL N N 65 127.945 126.645 1.300 1
1 802 . 6 1 1 A 66 66 PRO HA H 66 4.385 4.678 -0.293 1
1 809 . 6 1 1 A 66 66 PRO C C 66 176.627 177.548 -0.921 1
1 810 . 6 1 1 A 66 66 PRO CA C 66 62.511 62.105 0.406 1
1 811 . 6 1 1 A 66 66 PRO CB C 66 31.875 32.603 -0.728 1
1 814 . 6 1 1 A 67 67 LEU H H 67 8.236 8.411 -0.175 1
1 815 . 6 1 1 A 67 67 LEU HA H 67 4.181 3.963 0.218 1
1 825 . 6 1 1 A 67 67 LEU C C 67 177.357 176.697 0.660 1
1 826 . 6 1 1 A 67 67 LEU CA C 67 55.352 57.113 -1.761 1
1 827 . 6 1 1 A 67 67 LEU CB C 67 42.355 41.928 0.427 1
1 831 . 6 1 1 A 67 67 LEU N N 67 122.691 121.261 1.430 1
1 832 . 6 1 1 A 68 68 GLU H H 68 8.432 7.825 0.607 1
1 833 . 6 1 1 A 68 68 GLU HA H 68 4.184 4.670 -0.486 1
1 838 . 6 1 1 A 68 68 GLU C C 68 176.054 177.262 -1.208 1
1 839 . 6 1 1 A 68 68 GLU CA C 68 56.250 57.739 -1.489 1
1 840 . 6 1 1 A 68 68 GLU CB C 68 30.077 30.882 -0.805 1
1 842 . 6 1 1 A 68 68 GLU N N 68 121.298 117.756 3.542 1
1 843 . 6 1 1 A 69 69 HIS H H 69 8.303 8.293 0.010 1
1 844 . 6 1 1 A 69 69 HIS HA H 69 4.517 4.812 -0.295 1
1 849 . 6 1 1 A 69 69 HIS C C 69 173.863 175.102 -1.239 1
1 850 . 6 1 1 A 69 69 HIS CA C 69 55.663 57.544 -1.881 1
1 851 . 6 1 1 A 69 69 HIS CB C 69 29.904 32.130 -2.226 1
1 1 . 7 1 1 A 2 2 ALA HA H 2 3.908 4.218 -0.310 1
1 5 . 7 1 1 A 2 2 ALA C C 2 174.665 177.214 -2.549 1
1 6 . 7 1 1 A 2 2 ALA CA C 2 51.696 52.828 -1.132 1
1 7 . 7 1 1 A 2 2 ALA CB C 2 19.380 19.031 0.349 1
1 8 . 7 1 1 A 3 3 MET H H 3 8.516 9.070 -0.554 1
1 9 . 7 1 1 A 3 3 MET HA H 3 4.349 5.037 -0.688 1
1 17 . 7 1 1 A 3 3 MET C C 3 173.119 174.297 -1.178 1
1 18 . 7 1 1 A 3 3 MET CA C 3 54.457 53.757 0.700 1
1 19 . 7 1 1 A 3 3 MET CB C 3 37.020 35.362 1.658 1
1 22 . 7 1 1 A 3 3 MET N N 3 118.958 122.553 -3.595 1
1 23 . 7 1 1 A 4 4 ASN H H 4 8.627 8.345 0.282 1
1 24 . 7 1 1 A 4 4 ASN HA H 4 5.470 5.540 -0.070 1
1 29 . 7 1 1 A 4 4 ASN C C 4 175.782 175.473 0.309 1
1 30 . 7 1 1 A 4 4 ASN CA C 4 52.043 51.416 0.627 1
1 31 . 7 1 1 A 4 4 ASN CB C 4 41.102 40.887 0.215 1
1 32 . 7 1 1 A 4 4 ASN N N 4 116.608 119.509 -2.901 1
1 34 . 7 1 1 A 5 5 GLY H H 5 8.444 8.511 -0.067 1
1 35 . 7 1 1 A 5 5 GLY HA2 H 5 4.652 4.455 0.197 1
1 36 . 7 1 1 A 5 5 GLY HA3 H 5 3.710 4.691 -0.981 1
1 37 . 7 1 1 A 5 5 GLY C C 5 171.487 171.932 -0.445 1
1 38 . 7 1 1 A 5 5 GLY CA C 5 46.682 45.741 0.941 1
1 39 . 7 1 1 A 5 5 GLY N N 5 104.747 107.815 -3.068 1
1 40 . 7 1 1 A 6 6 THR H H 6 8.303 8.898 -0.595 1
1 41 . 7 1 1 A 6 6 THR HA H 6 5.193 5.221 -0.028 1
1 46 . 7 1 1 A 6 6 THR C C 6 173.634 174.217 -0.583 1
1 47 . 7 1 1 A 6 6 THR CA C 6 60.367 61.288 -0.921 1
1 48 . 7 1 1 A 6 6 THR CB C 6 72.071 71.531 0.540 1
1 50 . 7 1 1 A 6 6 THR N N 6 114.893 114.642 0.251 1
1 51 . 7 1 1 A 7 7 ILE H H 7 8.887 9.091 -0.204 1
1 52 . 7 1 1 A 7 7 ILE HA H 7 4.189 3.956 0.233 1
1 62 . 7 1 1 A 7 7 ILE C C 7 175.782 175.733 0.049 1
1 63 . 7 1 1 A 7 7 ILE CA C 7 62.394 62.075 0.319 1
1 64 . 7 1 1 A 7 7 ILE CB C 7 37.461 36.770 0.691 1
1 68 . 7 1 1 A 7 7 ILE N N 7 125.014 127.127 -2.113 1
1 69 . 7 1 1 A 8 8 THR H H 8 8.968 8.701 0.267 1
1 70 . 7 1 1 A 8 8 THR HA H 8 4.583 4.398 0.185 1
1 75 . 7 1 1 A 8 8 THR C C 8 175.352 174.834 0.518 1
1 76 . 7 1 1 A 8 8 THR CA C 8 62.547 63.447 -0.900 1
1 77 . 7 1 1 A 8 8 THR CB C 8 69.324 69.408 -0.084 1
1 79 . 7 1 1 A 8 8 THR N N 8 123.264 122.999 0.265 1
1 80 . 7 1 1 A 9 9 THR H H 9 7.744 7.831 -0.087 1
1 81 . 7 1 1 A 9 9 THR HA H 9 4.408 4.915 -0.507 1
1 86 . 7 1 1 A 9 9 THR C C 9 171.759 172.340 -0.581 1
1 87 . 7 1 1 A 9 9 THR CA C 9 61.370 61.774 -0.404 1
1 88 . 7 1 1 A 9 9 THR CB C 9 72.472 71.921 0.551 1
1 90 . 7 1 1 A 9 9 THR N N 9 116.608 112.654 3.954 1
1 91 . 7 1 1 A 10 10 TRP H H 10 8.620 8.503 0.117 1
1 92 . 7 1 1 A 10 10 TRP HA H 10 4.844 5.259 -0.415 1
1 101 . 7 1 1 A 10 10 TRP C C 10 172.833 173.920 -1.087 1
1 102 . 7 1 1 A 10 10 TRP CA C 10 55.471 56.114 -0.643 1
1 103 . 7 1 1 A 10 10 TRP CB C 10 32.843 32.842 0.001 1
1 109 . 7 1 1 A 10 10 TRP N N 10 126.095 127.763 -1.668 1
1 111 . 7 1 1 A 11 11 PHE H H 11 7.892 8.241 -0.349 1
1 112 . 7 1 1 A 11 11 PHE HA H 11 4.508 4.808 -0.300 1
1 120 . 7 1 1 A 11 11 PHE C C 11 174.493 175.295 -0.802 1
1 121 . 7 1 1 A 11 11 PHE CA C 11 54.001 55.955 -1.954 1
1 122 . 7 1 1 A 11 11 PHE CB C 11 36.906 39.847 -2.941 1
1 126 . 7 1 1 A 11 11 PHE N N 11 127.953 126.179 1.774 1
1 127 . 7 1 1 A 12 12 LYS H H 12 7.844 8.275 -0.431 1
1 128 . 7 1 1 A 12 12 LYS HA H 12 2.844 3.558 -0.714 1
1 137 . 7 1 1 A 12 12 LYS C C 12 177.701 177.595 0.106 1
1 138 . 7 1 1 A 12 12 LYS CA C 12 59.164 60.102 -0.938 1
1 139 . 7 1 1 A 12 12 LYS CB C 12 32.427 32.302 0.125 1
1 143 . 7 1 1 A 12 12 LYS N N 12 125.042 125.181 -0.139 1
1 144 . 7 1 1 A 13 13 ASP H H 13 8.638 8.211 0.427 1
1 145 . 7 1 1 A 13 13 ASP HA H 13 4.281 4.433 -0.152 1
1 148 . 7 1 1 A 13 13 ASP C C 13 176.827 178.495 -1.668 1
1 149 . 7 1 1 A 13 13 ASP CA C 13 55.401 56.789 -1.388 1
1 150 . 7 1 1 A 13 13 ASP CB C 13 39.349 40.051 -0.702 1
1 151 . 7 1 1 A 13 13 ASP N N 13 114.668 119.859 -5.191 1
1 152 . 7 1 1 A 14 14 LYS H H 14 6.965 7.909 -0.944 1
1 153 . 7 1 1 A 14 14 LYS HA H 14 4.425 4.344 0.081 1
1 162 . 7 1 1 A 14 14 LYS C C 14 176.913 176.737 0.176 1
1 163 . 7 1 1 A 14 14 LYS CA C 14 55.288 57.223 -1.935 1
1 164 . 7 1 1 A 14 14 LYS CB C 14 34.562 33.600 0.962 1
1 168 . 7 1 1 A 14 14 LYS N N 14 116.507 118.132 -1.625 1
1 169 . 7 1 1 A 15 15 GLY H H 15 7.619 8.384 -0.765 1
1 170 . 7 1 1 A 15 15 GLY HA2 H 15 3.875 3.797 0.078 1
1 171 . 7 1 1 A 15 15 GLY HA3 H 15 3.499 3.873 -0.374 1
1 172 . 7 1 1 A 15 15 GLY C C 15 171.358 174.362 -3.004 1
1 173 . 7 1 1 A 15 15 GLY CA C 15 46.020 44.974 1.046 1
1 174 . 7 1 1 A 15 15 GLY N N 15 107.093 107.839 -0.746 1
1 175 . 7 1 1 A 16 16 PHE H H 16 6.663 8.055 -1.392 1
1 176 . 7 1 1 A 16 16 PHE HA H 16 4.866 4.459 0.407 1
1 183 . 7 1 1 A 16 16 PHE C C 16 171.472 175.234 -3.762 1
1 184 . 7 1 1 A 16 16 PHE CA C 16 54.765 57.158 -2.393 1
1 185 . 7 1 1 A 16 16 PHE CB C 16 41.805 41.049 0.756 1
1 188 . 7 1 1 A 16 16 PHE N N 16 112.369 119.577 -7.208 1
1 189 . 7 1 1 A 17 17 GLY H H 17 7.436 7.924 -0.488 1
1 190 . 7 1 1 A 17 17 GLY HA2 H 17 3.951 4.270 -0.319 1
1 191 . 7 1 1 A 17 17 GLY HA3 H 17 3.399 4.528 -1.129 1
1 192 . 7 1 1 A 17 17 GLY C C 17 169.926 171.346 -1.420 1
1 193 . 7 1 1 A 17 17 GLY CA C 17 45.073 45.514 -0.441 1
1 194 . 7 1 1 A 17 17 GLY N N 17 105.719 108.307 -2.588 1
1 195 . 7 1 1 A 18 18 PHE H H 18 8.505 9.336 -0.831 1
1 196 . 7 1 1 A 18 18 PHE HA H 18 5.728 5.654 0.074 1
1 204 . 7 1 1 A 18 18 PHE C C 18 175.023 175.213 -0.190 1
1 205 . 7 1 1 A 18 18 PHE CA C 18 56.493 56.233 0.260 1
1 206 . 7 1 1 A 18 18 PHE CB C 18 43.783 43.083 0.700 1
1 210 . 7 1 1 A 18 18 PHE N N 18 113.767 119.339 -5.572 1
1 211 . 7 1 1 A 19 19 ILE H H 19 9.615 8.776 0.839 1
1 212 . 7 1 1 A 19 19 ILE HA H 19 4.679 4.828 -0.149 1
1 222 . 7 1 1 A 19 19 ILE C C 19 174.894 174.629 0.265 1
1 223 . 7 1 1 A 19 19 ILE CA C 19 58.585 60.474 -1.889 1
1 224 . 7 1 1 A 19 19 ILE CB C 19 43.854 41.075 2.779 1
1 228 . 7 1 1 A 19 19 ILE N N 19 122.746 122.738 0.008 1
1 229 . 7 1 1 A 20 20 LYS H H 20 8.971 8.714 0.257 1
1 230 . 7 1 1 A 20 20 LYS HA H 20 5.241 5.149 0.092 1
1 239 . 7 1 1 A 20 20 LYS C C 20 177.413 176.322 1.091 1
1 240 . 7 1 1 A 20 20 LYS CA C 20 54.622 55.898 -1.276 1
1 241 . 7 1 1 A 20 20 LYS CB C 20 33.070 33.656 -0.586 1
1 245 . 7 1 1 A 20 20 LYS N N 20 127.450 128.951 -1.501 1
1 246 . 7 1 1 A 21 21 ASP H H 21 9.363 8.585 0.778 1
1 247 . 7 1 1 A 21 21 ASP HA H 21 5.241 5.139 0.102 1
1 250 . 7 1 1 A 21 21 ASP C C 21 178.431 177.143 1.288 1
1 251 . 7 1 1 A 21 21 ASP CA C 21 52.981 52.092 0.889 1
1 252 . 7 1 1 A 21 21 ASP CB C 21 44.583 42.125 2.458 1
1 253 . 7 1 1 A 21 21 ASP N N 21 129.797 125.967 3.830 1
1 254 . 7 1 1 A 22 22 GLU H H 22 8.127 8.796 -0.669 1
1 255 . 7 1 1 A 22 22 GLU HA H 22 4.264 4.082 0.182 1
1 260 . 7 1 1 A 22 22 GLU C C 22 176.226 177.848 -1.622 1
1 261 . 7 1 1 A 22 22 GLU CA C 22 57.515 59.438 -1.923 1
1 262 . 7 1 1 A 22 22 GLU CB C 22 29.830 29.067 0.763 1
1 264 . 7 1 1 A 22 22 GLU N N 22 115.545 118.908 -3.363 1
1 265 . 7 1 1 A 23 23 ASN H H 23 8.606 7.861 0.745 1
1 266 . 7 1 1 A 23 23 ASN HA H 23 4.963 4.775 0.188 1
1 271 . 7 1 1 A 23 23 ASN C C 23 175.582 175.498 0.084 1
1 272 . 7 1 1 A 23 23 ASN CA C 23 52.968 53.864 -0.896 1
1 273 . 7 1 1 A 23 23 ASN CB C 23 39.172 39.014 0.158 1
1 274 . 7 1 1 A 23 23 ASN N N 23 118.707 116.393 2.314 1
1 276 . 7 1 1 A 24 24 GLY H H 24 8.451 8.389 0.062 1
1 277 . 7 1 1 A 24 24 GLY HA2 H 24 4.323 4.086 0.237 1
1 278 . 7 1 1 A 24 24 GLY HA3 H 24 3.484 4.095 -0.611 1
1 279 . 7 1 1 A 24 24 GLY C C 24 174.121 173.352 0.769 1
1 280 . 7 1 1 A 24 24 GLY CA C 24 44.816 45.308 -0.492 1
1 281 . 7 1 1 A 24 24 GLY N N 24 108.999 106.817 2.182 1
1 282 . 7 1 1 A 25 25 ASP H H 25 8.326 8.450 -0.124 1
1 283 . 7 1 1 A 25 25 ASP HA H 25 4.792 5.264 -0.472 1
1 286 . 7 1 1 A 25 25 ASP C C 25 173.047 173.608 -0.561 1
1 287 . 7 1 1 A 25 25 ASP CA C 25 54.677 52.985 1.692 1
1 288 . 7 1 1 A 25 25 ASP CB C 25 41.577 45.270 -3.693 1
1 289 . 7 1 1 A 25 25 ASP N N 25 121.814 119.294 2.520 1
1 290 . 7 1 1 A 26 26 ASN H H 26 8.503 9.065 -0.562 1
1 291 . 7 1 1 A 26 26 ASN HA H 26 5.607 5.569 0.038 1
1 296 . 7 1 1 A 26 26 ASN C C 26 175.496 174.238 1.258 1
1 297 . 7 1 1 A 26 26 ASN CA C 26 52.290 51.963 0.327 1
1 298 . 7 1 1 A 26 26 ASN CB C 26 40.017 40.657 -0.640 1
1 299 . 7 1 1 A 26 26 ASN N N 26 119.224 120.748 -1.524 1
1 301 . 7 1 1 A 27 27 ARG H H 27 9.884 9.101 0.783 1
1 302 . 7 1 1 A 27 27 ARG HA H 27 4.720 4.935 -0.215 1
1 309 . 7 1 1 A 27 27 ARG C C 27 174.665 175.257 -0.592 1
1 310 . 7 1 1 A 27 27 ARG CA C 27 54.314 54.884 -0.570 1
1 311 . 7 1 1 A 27 27 ARG CB C 27 33.562 32.475 1.087 1
1 314 . 7 1 1 A 27 27 ARG N N 27 122.242 126.194 -3.952 1
1 315 . 7 1 1 A 28 28 TYR H H 28 8.314 9.225 -0.911 1
1 316 . 7 1 1 A 28 28 TYR HA H 28 4.365 4.927 -0.562 1
1 323 . 7 1 1 A 28 28 TYR C C 28 174.765 174.318 0.447 1
1 324 . 7 1 1 A 28 28 TYR CA C 28 58.102 58.283 -0.181 1
1 325 . 7 1 1 A 28 28 TYR CB C 28 39.606 39.332 0.274 1
1 328 . 7 1 1 A 28 28 TYR N N 28 126.908 124.025 2.883 1
1 329 . 7 1 1 A 29 29 PHE H H 29 7.873 9.256 -1.383 1
1 330 . 7 1 1 A 29 29 PHE HA H 29 5.159 4.938 0.221 1
1 338 . 7 1 1 A 29 29 PHE C C 29 169.840 174.441 -4.601 1
1 339 . 7 1 1 A 29 29 PHE CA C 29 56.025 56.379 -0.354 1
1 340 . 7 1 1 A 29 29 PHE CB C 29 42.454 42.488 -0.034 1
1 344 . 7 1 1 A 29 29 PHE N N 29 124.137 125.930 -1.793 1
1 345 . 7 1 1 A 30 30 HIS H H 30 8.255 8.520 -0.265 1
1 346 . 7 1 1 A 30 30 HIS HA H 30 4.819 4.881 -0.062 1
1 351 . 7 1 1 A 30 30 HIS C C 30 176.598 175.227 1.371 1
1 352 . 7 1 1 A 30 30 HIS CA C 30 55.040 55.642 -0.602 1
1 353 . 7 1 1 A 30 30 HIS CB C 30 35.066 32.653 2.413 1
1 356 . 7 1 1 A 30 30 HIS N N 30 119.922 121.616 -1.694 1
1 357 . 7 1 1 A 31 31 VAL H H 31 8.390 8.858 -0.468 1
1 358 . 7 1 1 A 31 31 VAL HA H 31 3.911 4.090 -0.179 1
1 366 . 7 1 1 A 31 31 VAL C C 31 176.713 176.971 -0.258 1
1 367 . 7 1 1 A 31 31 VAL CA C 31 65.423 65.366 0.057 1
1 368 . 7 1 1 A 31 31 VAL CB C 31 32.354 31.774 0.580 1
1 371 . 7 1 1 A 31 31 VAL N N 31 126.977 124.829 2.148 1
1 372 . 7 1 1 A 32 32 ILE H H 32 10.207 7.195 3.012 1
1 373 . 7 1 1 A 32 32 ILE HA H 32 4.397 3.785 0.612 1
1 383 . 7 1 1 A 32 32 ILE C C 32 177.414 177.009 0.405 1
1 384 . 7 1 1 A 32 32 ILE CA C 32 63.601 62.711 0.890 1
1 385 . 7 1 1 A 32 32 ILE CB C 32 38.023 37.377 0.646 1
1 389 . 7 1 1 A 32 32 ILE N N 32 123.360 120.151 3.209 1
1 390 . 7 1 1 A 33 33 LYS H H 33 8.435 7.409 1.026 1
1 391 . 7 1 1 A 33 33 LYS HA H 33 4.734 4.407 0.327 1
1 400 . 7 1 1 A 33 33 LYS C C 33 175.037 175.776 -0.739 1
1 401 . 7 1 1 A 33 33 LYS CA C 33 54.046 55.695 -1.649 1
1 402 . 7 1 1 A 33 33 LYS CB C 33 31.743 32.826 -1.083 1
1 406 . 7 1 1 A 33 33 LYS N N 33 118.502 119.316 -0.814 1
1 407 . 7 1 1 A 34 34 VAL H H 34 7.750 7.314 0.436 1
1 408 . 7 1 1 A 34 34 VAL HA H 34 4.672 4.194 0.478 1
1 416 . 7 1 1 A 34 34 VAL C C 34 175.911 175.765 0.146 1
1 417 . 7 1 1 A 34 34 VAL CA C 34 60.255 62.724 -2.469 1
1 418 . 7 1 1 A 34 34 VAL CB C 34 32.064 32.301 -0.237 1
1 421 . 7 1 1 A 34 34 VAL N N 34 120.487 120.961 -0.474 1
1 422 . 7 1 1 A 35 35 ALA H H 35 9.109 9.099 0.010 1
1 423 . 7 1 1 A 35 35 ALA HA H 35 4.143 4.281 -0.138 1
1 427 . 7 1 1 A 35 35 ALA C C 35 177.887 177.706 0.181 1
1 428 . 7 1 1 A 35 35 ALA CA C 35 54.562 54.071 0.491 1
1 429 . 7 1 1 A 35 35 ALA CB C 35 18.880 19.650 -0.770 1
1 430 . 7 1 1 A 35 35 ALA N N 35 129.552 128.212 1.340 1
1 431 . 7 1 1 A 36 36 ASN H H 36 8.169 7.998 0.171 1
1 432 . 7 1 1 A 36 36 ASN HA H 36 5.108 5.041 0.067 1
1 437 . 7 1 1 A 36 36 ASN CA C 36 50.333 50.743 -0.410 1
1 438 . 7 1 1 A 36 36 ASN CB C 36 35.521 38.425 -2.904 1
1 439 . 7 1 1 A 36 36 ASN N N 36 112.302 114.363 -2.061 1
1 441 . 7 1 1 A 37 37 PRO HA H 37 3.891 4.263 -0.372 1
1 448 . 7 1 1 A 37 37 PRO C C 37 177.715 177.019 0.696 1
1 449 . 7 1 1 A 37 37 PRO CA C 37 64.104 64.021 0.083 1
1 450 . 7 1 1 A 37 37 PRO CB C 37 32.380 31.965 0.415 1
1 453 . 7 1 1 A 38 38 ASP H H 38 8.843 8.411 0.432 1
1 454 . 7 1 1 A 38 38 ASP HA H 38 4.350 4.549 -0.199 1
1 457 . 7 1 1 A 38 38 ASP C C 38 176.942 177.062 -0.120 1
1 458 . 7 1 1 A 38 38 ASP CA C 38 56.035 56.062 -0.027 1
1 459 . 7 1 1 A 38 38 ASP CB C 38 39.249 40.471 -1.222 1
1 460 . 7 1 1 A 38 38 ASP N N 38 118.913 118.540 0.373 1
1 461 . 7 1 1 A 39 39 LEU H H 39 7.548 7.172 0.376 1
1 462 . 7 1 1 A 39 39 LEU HA H 39 4.268 4.441 -0.173 1
1 472 . 7 1 1 A 39 39 LEU C C 39 176.727 175.999 0.728 1
1 473 . 7 1 1 A 39 39 LEU CA C 39 54.091 54.049 0.042 1
1 474 . 7 1 1 A 39 39 LEU CB C 39 41.404 41.458 -0.054 1
1 478 . 7 1 1 A 39 39 LEU N N 39 117.047 116.602 0.445 1
1 479 . 7 1 1 A 40 40 ILE H H 40 7.047 6.998 0.049 1
1 480 . 7 1 1 A 40 40 ILE HA H 40 2.710 3.839 -1.129 1
1 490 . 7 1 1 A 40 40 ILE C C 40 174.794 175.352 -0.558 1
1 491 . 7 1 1 A 40 40 ILE CA C 40 64.352 61.286 3.066 1
1 492 . 7 1 1 A 40 40 ILE CB C 40 37.301 37.304 -0.003 1
1 496 . 7 1 1 A 40 40 ILE N N 40 118.412 121.595 -3.183 1
1 497 . 7 1 1 A 41 41 LYS H H 41 6.395 8.658 -2.263 1
1 498 . 7 1 1 A 41 41 LYS HA H 41 4.246 4.923 -0.677 1
1 507 . 7 1 1 A 41 41 LYS C C 41 174.422 174.522 -0.100 1
1 508 . 7 1 1 A 41 41 LYS CA C 41 54.521 53.861 0.660 1
1 509 . 7 1 1 A 41 41 LYS CB C 41 35.426 35.909 -0.483 1
1 513 . 7 1 1 A 41 41 LYS N N 41 122.843 124.317 -1.474 1
1 514 . 7 1 1 A 42 42 LYS H H 42 8.788 8.498 0.290 1
1 515 . 7 1 1 A 42 42 LYS HA H 42 3.603 4.015 -0.412 1
1 524 . 7 1 1 A 42 42 LYS C C 42 176.169 176.903 -0.734 1
1 525 . 7 1 1 A 42 42 LYS CA C 42 59.038 57.174 1.864 1
1 526 . 7 1 1 A 42 42 LYS CB C 42 31.981 32.601 -0.620 1
1 530 . 7 1 1 A 42 42 LYS N N 42 122.219 122.826 -0.607 1
1 531 . 7 1 1 A 43 43 ASP H H 43 9.183 9.213 -0.030 1
1 532 . 7 1 1 A 43 43 ASP HA H 43 4.191 4.181 0.010 1
1 535 . 7 1 1 A 43 43 ASP C C 43 174.866 175.263 -0.397 1
1 536 . 7 1 1 A 43 43 ASP CA C 43 57.064 55.838 1.226 1
1 537 . 7 1 1 A 43 43 ASP CB C 43 38.724 39.447 -0.723 1
1 538 . 7 1 1 A 43 43 ASP N N 43 119.807 120.158 -0.351 1
1 539 . 7 1 1 A 44 44 ALA H H 44 7.669 7.304 0.365 1
1 540 . 7 1 1 A 44 44 ALA HA H 44 4.273 4.442 -0.169 1
1 544 . 7 1 1 A 44 44 ALA C C 44 176.197 176.948 -0.751 1
1 545 . 7 1 1 A 44 44 ALA CA C 44 52.503 51.998 0.505 1
1 546 . 7 1 1 A 44 44 ALA CB C 44 19.511 20.448 -0.937 1
1 547 . 7 1 1 A 44 44 ALA N N 44 121.785 121.661 0.124 1
1 548 . 7 1 1 A 45 45 ALA H H 45 8.522 8.381 0.141 1
1 549 . 7 1 1 A 45 45 ALA HA H 45 4.820 5.000 -0.180 1
1 553 . 7 1 1 A 45 45 ALA C C 45 177.128 177.227 -0.099 1
1 554 . 7 1 1 A 45 45 ALA CA C 45 51.512 51.229 0.283 1
1 555 . 7 1 1 A 45 45 ALA CB C 45 19.306 20.545 -1.239 1
1 556 . 7 1 1 A 45 45 ALA N N 45 125.014 123.266 1.748 1
1 557 . 7 1 1 A 46 46 VAL H H 46 8.358 9.131 -0.773 1
1 558 . 7 1 1 A 46 46 VAL HA H 46 5.659 5.097 0.562 1
1 566 . 7 1 1 A 46 46 VAL C C 46 177.199 174.276 2.923 1
1 567 . 7 1 1 A 46 46 VAL CA C 46 57.919 59.289 -1.370 1
1 568 . 7 1 1 A 46 46 VAL CB C 46 36.362 36.037 0.325 1
1 571 . 7 1 1 A 46 46 VAL N N 46 109.774 116.487 -6.713 1
1 572 . 7 1 1 A 47 47 THR H H 47 8.902 9.063 -0.161 1
1 573 . 7 1 1 A 47 47 THR HA H 47 5.462 5.297 0.165 1
1 578 . 7 1 1 A 47 47 THR C C 47 173.405 173.475 -0.070 1
1 579 . 7 1 1 A 47 47 THR CA C 47 60.139 60.374 -0.235 1
1 580 . 7 1 1 A 47 47 THR CB C 47 71.233 71.919 -0.686 1
1 582 . 7 1 1 A 47 47 THR N N 47 112.758 116.196 -3.438 1
1 583 . 7 1 1 A 48 48 PHE H H 48 8.423 8.351 0.072 1
1 584 . 7 1 1 A 48 48 PHE HA H 48 5.099 5.169 -0.070 1
1 591 . 7 1 1 A 48 48 PHE C C 48 172.231 172.256 -0.025 1
1 592 . 7 1 1 A 48 48 PHE CA C 48 56.390 56.188 0.202 1
1 593 . 7 1 1 A 48 48 PHE CB C 48 41.169 40.683 0.486 1
1 596 . 7 1 1 A 48 48 PHE N N 48 115.866 120.238 -4.372 1
1 597 . 7 1 1 A 49 49 GLU H H 49 8.622 8.993 -0.371 1
1 598 . 7 1 1 A 49 49 GLU HA H 49 4.907 4.938 -0.031 1
1 603 . 7 1 1 A 49 49 GLU CA C 49 51.497 53.371 -1.874 1
1 604 . 7 1 1 A 49 49 GLU CB C 49 28.890 30.711 -1.821 1
1 606 . 7 1 1 A 49 49 GLU N N 49 117.484 120.583 -3.099 1
1 607 . 7 1 1 A 50 50 PRO HA H 50 4.829 5.057 -0.228 1
1 614 . 7 1 1 A 50 50 PRO C C 50 175.925 175.074 0.851 1
1 615 . 7 1 1 A 50 50 PRO CA C 50 62.593 62.396 0.197 1
1 616 . 7 1 1 A 50 50 PRO CB C 50 32.917 32.770 0.147 1
1 619 . 7 1 1 A 51 51 THR H H 51 7.621 8.391 -0.770 1
1 620 . 7 1 1 A 51 51 THR HA H 51 4.742 4.722 0.020 1
1 625 . 7 1 1 A 51 51 THR C C 51 172.074 171.897 0.177 1
1 626 . 7 1 1 A 51 51 THR CA C 51 60.558 60.323 0.235 1
1 627 . 7 1 1 A 51 51 THR CB C 51 68.841 69.706 -0.865 1
1 629 . 7 1 1 A 51 51 THR N N 51 112.909 116.045 -3.136 1
1 630 . 7 1 1 A 52 52 THR H H 52 8.367 8.495 -0.128 1
1 631 . 7 1 1 A 52 52 THR HA H 52 4.975 5.222 -0.247 1
1 636 . 7 1 1 A 52 52 THR C C 52 173.047 173.141 -0.094 1
1 637 . 7 1 1 A 52 52 THR CA C 52 60.794 60.627 0.167 1
1 638 . 7 1 1 A 52 52 THR CB C 52 71.210 71.668 -0.458 1
1 640 . 7 1 1 A 52 52 THR N N 52 117.260 117.954 -0.694 1
1 641 . 7 1 1 A 53 53 ASN H H 53 8.827 8.762 0.065 1
1 642 . 7 1 1 A 53 53 ASN HA H 53 4.756 5.231 -0.475 1
1 647 . 7 1 1 A 53 53 ASN CA C 53 53.430 51.377 2.053 1
1 648 . 7 1 1 A 53 53 ASN CB C 53 38.660 41.812 -3.152 1
1 649 . 7 1 1 A 53 53 ASN N N 53 122.737 121.881 0.856 1
1 651 . 7 1 1 A 54 54 ASN HA H 54 4.420 4.332 0.088 1
1 656 . 7 1 1 A 54 54 ASN C C 54 176.154 177.031 -0.877 1
1 657 . 7 1 1 A 54 54 ASN CA C 54 55.580 56.779 -1.199 1
1 658 . 7 1 1 A 54 54 ASN CB C 54 36.917 38.310 -1.393 1
1 660 . 7 1 1 A 55 55 LYS H H 55 8.190 7.854 0.336 1
1 661 . 7 1 1 A 55 55 LYS HA H 55 4.225 4.216 0.009 1
1 670 . 7 1 1 A 55 55 LYS C C 55 176.154 176.683 -0.529 1
1 671 . 7 1 1 A 55 55 LYS CA C 55 55.113 57.879 -2.766 1
1 672 . 7 1 1 A 55 55 LYS CB C 55 31.703 33.385 -1.682 1
1 676 . 7 1 1 A 55 55 LYS N N 55 117.935 116.569 1.366 1
1 677 . 7 1 1 A 56 56 GLY H H 56 7.966 7.397 0.569 1
1 678 . 7 1 1 A 56 56 GLY HA2 H 56 4.496 4.007 0.489 1
1 679 . 7 1 1 A 56 56 GLY HA3 H 56 3.794 4.023 -0.229 1
1 680 . 7 1 1 A 56 56 GLY C C 56 173.262 172.088 1.174 1
1 681 . 7 1 1 A 56 56 GLY CA C 56 44.177 45.875 -1.698 1
1 682 . 7 1 1 A 56 56 GLY N N 56 108.898 103.719 5.179 1
1 683 . 7 1 1 A 57 57 LEU H H 57 8.716 8.579 0.137 1
1 684 . 7 1 1 A 57 57 LEU HA H 57 4.442 4.708 -0.266 1
1 694 . 7 1 1 A 57 57 LEU C C 57 178.488 175.735 2.753 1
1 695 . 7 1 1 A 57 57 LEU CA C 57 56.424 54.594 1.830 1
1 696 . 7 1 1 A 57 57 LEU CB C 57 42.582 42.687 -0.105 1
1 700 . 7 1 1 A 57 57 LEU N N 57 122.286 124.289 -2.003 1
1 701 . 7 1 1 A 58 58 SER H H 58 9.033 8.410 0.623 1
1 702 . 7 1 1 A 58 58 SER HA H 58 5.696 4.840 0.856 1
1 705 . 7 1 1 A 58 58 SER C C 58 173.820 172.144 1.676 1
1 706 . 7 1 1 A 58 58 SER CA C 58 56.715 56.893 -0.178 1
1 707 . 7 1 1 A 58 58 SER CB C 58 65.779 66.493 -0.714 1
1 708 . 7 1 1 A 58 58 SER N N 58 117.913 116.209 1.704 1
1 709 . 7 1 1 A 59 59 ALA H H 59 8.775 7.533 1.242 1
1 710 . 7 1 1 A 59 59 ALA HA H 59 5.409 5.254 0.155 1
1 714 . 7 1 1 A 59 59 ALA C C 59 174.966 174.996 -0.030 1
1 715 . 7 1 1 A 59 59 ALA CA C 59 50.783 49.944 0.839 1
1 716 . 7 1 1 A 59 59 ALA CB C 59 23.985 22.787 1.198 1
1 717 . 7 1 1 A 59 59 ALA N N 59 125.556 122.055 3.501 1
1 718 . 7 1 1 A 60 60 TYR H H 60 9.347 8.794 0.553 1
1 719 . 7 1 1 A 60 60 TYR HA H 60 5.030 4.961 0.069 1
1 726 . 7 1 1 A 60 60 TYR C C 60 171.673 175.162 -3.489 1
1 727 . 7 1 1 A 60 60 TYR CA C 60 55.484 57.203 -1.719 1
1 728 . 7 1 1 A 60 60 TYR CB C 60 39.502 41.946 -2.444 1
1 731 . 7 1 1 A 60 60 TYR N N 60 118.946 118.744 0.202 1
1 732 . 7 1 1 A 61 61 ALA H H 61 9.176 8.583 0.593 1
1 733 . 7 1 1 A 61 61 ALA HA H 61 4.116 3.899 0.217 1
1 737 . 7 1 1 A 61 61 ALA C C 61 175.825 176.665 -0.840 1
1 738 . 7 1 1 A 61 61 ALA CA C 61 52.809 52.981 -0.172 1
1 739 . 7 1 1 A 61 61 ALA CB C 61 16.597 17.535 -0.938 1
1 740 . 7 1 1 A 61 61 ALA N N 61 124.113 121.496 2.617 1
1 741 . 7 1 1 A 62 62 VAL H H 62 7.968 7.969 -0.001 1
1 742 . 7 1 1 A 62 62 VAL HA H 62 4.300 4.515 -0.215 1
1 750 . 7 1 1 A 62 62 VAL C C 62 175.395 175.367 0.028 1
1 751 . 7 1 1 A 62 62 VAL CA C 62 62.252 62.830 -0.578 1
1 752 . 7 1 1 A 62 62 VAL CB C 62 31.435 31.565 -0.130 1
1 755 . 7 1 1 A 62 62 VAL N N 62 116.561 118.283 -1.722 1
1 756 . 7 1 1 A 63 63 LYS H H 63 9.208 9.060 0.148 1
1 757 . 7 1 1 A 63 63 LYS HA H 63 4.633 5.386 -0.753 1
1 766 . 7 1 1 A 63 63 LYS C C 63 175.238 175.312 -0.074 1
1 767 . 7 1 1 A 63 63 LYS CA C 63 54.729 55.069 -0.340 1
1 768 . 7 1 1 A 63 63 LYS CB C 63 34.859 34.775 0.084 1
1 772 . 7 1 1 A 63 63 LYS N N 63 128.892 124.964 3.928 1
1 773 . 7 1 1 A 64 64 VAL H H 64 9.588 9.042 0.546 1
1 774 . 7 1 1 A 64 64 VAL HA H 64 4.345 4.406 -0.061 1
1 782 . 7 1 1 A 64 64 VAL C C 64 176.856 175.437 1.419 1
1 783 . 7 1 1 A 64 64 VAL CA C 64 62.563 62.129 0.434 1
1 784 . 7 1 1 A 64 64 VAL CB C 64 30.916 32.239 -1.323 1
1 787 . 7 1 1 A 64 64 VAL N N 64 126.595 124.635 1.960 1
1 788 . 7 1 1 A 65 65 VAL H H 65 8.597 9.469 -0.872 1
1 789 . 7 1 1 A 65 65 VAL HA H 65 4.370 4.695 -0.325 1
1 797 . 7 1 1 A 65 65 VAL CA C 65 62.480 59.253 3.227 1
1 798 . 7 1 1 A 65 65 VAL CB C 65 32.436 32.479 -0.043 1
1 801 . 7 1 1 A 65 65 VAL N N 65 127.945 126.943 1.002 1
1 802 . 7 1 1 A 66 66 PRO HA H 66 4.385 4.795 -0.410 1
1 809 . 7 1 1 A 66 66 PRO C C 66 176.627 176.543 0.084 1
1 810 . 7 1 1 A 66 66 PRO CA C 66 62.511 61.849 0.662 1
1 811 . 7 1 1 A 66 66 PRO CB C 66 31.875 33.067 -1.192 1
1 814 . 7 1 1 A 67 67 LEU H H 67 8.236 8.167 0.069 1
1 815 . 7 1 1 A 67 67 LEU HA H 67 4.181 4.329 -0.148 1
1 825 . 7 1 1 A 67 67 LEU C C 67 177.357 178.508 -1.151 1
1 826 . 7 1 1 A 67 67 LEU CA C 67 55.352 54.532 0.820 1
1 827 . 7 1 1 A 67 67 LEU CB C 67 42.355 41.781 0.574 1
1 831 . 7 1 1 A 67 67 LEU N N 67 122.691 120.688 2.003 1
1 832 . 7 1 1 A 68 68 GLU H H 68 8.432 7.851 0.581 1
1 833 . 7 1 1 A 68 68 GLU HA H 68 4.184 4.235 -0.051 1
1 838 . 7 1 1 A 68 68 GLU C C 68 176.054 176.560 -0.506 1
1 839 . 7 1 1 A 68 68 GLU CA C 68 56.250 58.435 -2.185 1
1 840 . 7 1 1 A 68 68 GLU CB C 68 30.077 30.582 -0.505 1
1 842 . 7 1 1 A 68 68 GLU N N 68 121.298 120.304 0.994 1
1 843 . 7 1 1 A 69 69 HIS H H 69 8.303 8.174 0.129 1
1 844 . 7 1 1 A 69 69 HIS HA H 69 4.517 4.146 0.371 1
1 849 . 7 1 1 A 69 69 HIS C C 69 173.863 175.009 -1.146 1
1 850 . 7 1 1 A 69 69 HIS CA C 69 55.663 56.659 -0.996 1
1 851 . 7 1 1 A 69 69 HIS CB C 69 29.904 28.847 1.057 1
1 1 . 8 1 1 A 2 2 ALA HA H 2 3.908 5.288 -1.380 1
1 5 . 8 1 1 A 2 2 ALA C C 2 174.665 175.998 -1.333 1
1 6 . 8 1 1 A 2 2 ALA CA C 2 51.696 50.167 1.529 1
1 7 . 8 1 1 A 2 2 ALA CB C 2 19.380 21.246 -1.866 1
1 8 . 8 1 1 A 3 3 MET H H 3 8.516 8.825 -0.309 1
1 9 . 8 1 1 A 3 3 MET HA H 3 4.349 5.113 -0.764 1
1 17 . 8 1 1 A 3 3 MET C C 3 173.119 174.738 -1.619 1
1 18 . 8 1 1 A 3 3 MET CA C 3 54.457 53.885 0.572 1
1 19 . 8 1 1 A 3 3 MET CB C 3 37.020 36.060 0.960 1
1 22 . 8 1 1 A 3 3 MET N N 3 118.958 121.378 -2.420 1
1 23 . 8 1 1 A 4 4 ASN H H 4 8.627 8.668 -0.041 1
1 24 . 8 1 1 A 4 4 ASN HA H 4 5.470 5.512 -0.042 1
1 29 . 8 1 1 A 4 4 ASN C C 4 175.782 174.620 1.162 1
1 30 . 8 1 1 A 4 4 ASN CA C 4 52.043 51.792 0.251 1
1 31 . 8 1 1 A 4 4 ASN CB C 4 41.102 41.002 0.100 1
1 32 . 8 1 1 A 4 4 ASN N N 4 116.608 115.517 1.091 1
1 34 . 8 1 1 A 5 5 GLY H H 5 8.444 8.767 -0.323 1
1 35 . 8 1 1 A 5 5 GLY HA2 H 5 4.652 4.405 0.247 1
1 36 . 8 1 1 A 5 5 GLY HA3 H 5 3.710 4.540 -0.830 1
1 37 . 8 1 1 A 5 5 GLY C C 5 171.487 171.654 -0.167 1
1 38 . 8 1 1 A 5 5 GLY CA C 5 46.682 44.296 2.386 1
1 39 . 8 1 1 A 5 5 GLY N N 5 104.747 108.115 -3.368 1
1 40 . 8 1 1 A 6 6 THR H H 6 8.303 9.685 -1.382 1
1 41 . 8 1 1 A 6 6 THR HA H 6 5.193 5.270 -0.077 1
1 46 . 8 1 1 A 6 6 THR C C 6 173.634 173.993 -0.359 1
1 47 . 8 1 1 A 6 6 THR CA C 6 60.367 61.334 -0.967 1
1 48 . 8 1 1 A 6 6 THR CB C 6 72.071 70.632 1.439 1
1 50 . 8 1 1 A 6 6 THR N N 6 114.893 115.210 -0.317 1
1 51 . 8 1 1 A 7 7 ILE H H 7 8.887 8.891 -0.004 1
1 52 . 8 1 1 A 7 7 ILE HA H 7 4.189 4.135 0.054 1
1 62 . 8 1 1 A 7 7 ILE C C 7 175.782 176.890 -1.108 1
1 63 . 8 1 1 A 7 7 ILE CA C 7 62.394 61.634 0.760 1
1 64 . 8 1 1 A 7 7 ILE CB C 7 37.461 37.002 0.459 1
1 68 . 8 1 1 A 7 7 ILE N N 7 125.014 127.124 -2.110 1
1 69 . 8 1 1 A 8 8 THR H H 8 8.968 8.823 0.145 1
1 70 . 8 1 1 A 8 8 THR HA H 8 4.583 4.568 0.015 1
1 75 . 8 1 1 A 8 8 THR C C 8 175.352 174.598 0.754 1
1 76 . 8 1 1 A 8 8 THR CA C 8 62.547 62.502 0.045 1
1 77 . 8 1 1 A 8 8 THR CB C 8 69.324 69.861 -0.537 1
1 79 . 8 1 1 A 8 8 THR N N 8 123.264 119.451 3.813 1
1 80 . 8 1 1 A 9 9 THR H H 9 7.744 7.600 0.144 1
1 81 . 8 1 1 A 9 9 THR HA H 9 4.408 5.117 -0.709 1
1 86 . 8 1 1 A 9 9 THR C C 9 171.759 172.712 -0.953 1
1 87 . 8 1 1 A 9 9 THR CA C 9 61.370 61.703 -0.333 1
1 88 . 8 1 1 A 9 9 THR CB C 9 72.472 71.411 1.061 1
1 90 . 8 1 1 A 9 9 THR N N 9 116.608 114.200 2.408 1
1 91 . 8 1 1 A 10 10 TRP H H 10 8.620 8.595 0.025 1
1 92 . 8 1 1 A 10 10 TRP HA H 10 4.844 5.249 -0.405 1
1 101 . 8 1 1 A 10 10 TRP C C 10 172.833 174.049 -1.216 1
1 102 . 8 1 1 A 10 10 TRP CA C 10 55.471 56.022 -0.551 1
1 103 . 8 1 1 A 10 10 TRP CB C 10 32.843 33.024 -0.181 1
1 109 . 8 1 1 A 10 10 TRP N N 10 126.095 127.867 -1.772 1
1 111 . 8 1 1 A 11 11 PHE H H 11 7.892 8.514 -0.622 1
1 112 . 8 1 1 A 11 11 PHE HA H 11 4.508 4.596 -0.088 1
1 120 . 8 1 1 A 11 11 PHE C C 11 174.493 175.123 -0.630 1
1 121 . 8 1 1 A 11 11 PHE CA C 11 54.001 55.520 -1.519 1
1 122 . 8 1 1 A 11 11 PHE CB C 11 36.906 38.857 -1.951 1
1 126 . 8 1 1 A 11 11 PHE N N 11 127.953 125.154 2.799 1
1 127 . 8 1 1 A 12 12 LYS H H 12 7.844 8.349 -0.505 1
1 128 . 8 1 1 A 12 12 LYS HA H 12 2.844 3.692 -0.848 1
1 137 . 8 1 1 A 12 12 LYS C C 12 177.701 177.080 0.621 1
1 138 . 8 1 1 A 12 12 LYS CA C 12 59.164 59.366 -0.202 1
1 139 . 8 1 1 A 12 12 LYS CB C 12 32.427 31.951 0.476 1
1 143 . 8 1 1 A 12 12 LYS N N 12 125.042 125.746 -0.704 1
1 144 . 8 1 1 A 13 13 ASP H H 13 8.638 8.143 0.495 1
1 145 . 8 1 1 A 13 13 ASP HA H 13 4.281 4.326 -0.045 1
1 148 . 8 1 1 A 13 13 ASP C C 13 176.827 178.860 -2.033 1
1 149 . 8 1 1 A 13 13 ASP CA C 13 55.401 57.564 -2.163 1
1 150 . 8 1 1 A 13 13 ASP CB C 13 39.349 41.397 -2.048 1
1 151 . 8 1 1 A 13 13 ASP N N 13 114.668 118.909 -4.241 1
1 152 . 8 1 1 A 14 14 LYS H H 14 6.965 7.633 -0.668 1
1 153 . 8 1 1 A 14 14 LYS HA H 14 4.425 4.087 0.338 1
1 162 . 8 1 1 A 14 14 LYS C C 14 176.913 176.943 -0.030 1
1 163 . 8 1 1 A 14 14 LYS CA C 14 55.288 57.105 -1.817 1
1 164 . 8 1 1 A 14 14 LYS CB C 14 34.562 32.889 1.673 1
1 168 . 8 1 1 A 14 14 LYS N N 14 116.507 115.546 0.961 1
1 169 . 8 1 1 A 15 15 GLY H H 15 7.619 8.324 -0.705 1
1 170 . 8 1 1 A 15 15 GLY HA2 H 15 3.875 3.791 0.084 1
1 171 . 8 1 1 A 15 15 GLY HA3 H 15 3.499 3.986 -0.487 1
1 172 . 8 1 1 A 15 15 GLY C C 15 171.358 173.573 -2.215 1
1 173 . 8 1 1 A 15 15 GLY CA C 15 46.020 45.426 0.594 1
1 174 . 8 1 1 A 15 15 GLY N N 15 107.093 106.622 0.471 1
1 175 . 8 1 1 A 16 16 PHE H H 16 6.663 6.582 0.081 1
1 176 . 8 1 1 A 16 16 PHE HA H 16 4.866 5.144 -0.278 1
1 183 . 8 1 1 A 16 16 PHE C C 16 171.472 173.622 -2.150 1
1 184 . 8 1 1 A 16 16 PHE CA C 16 54.765 54.954 -0.189 1
1 185 . 8 1 1 A 16 16 PHE CB C 16 41.805 42.096 -0.291 1
1 188 . 8 1 1 A 16 16 PHE N N 16 112.369 114.313 -1.944 1
1 189 . 8 1 1 A 17 17 GLY H H 17 7.436 7.963 -0.527 1
1 190 . 8 1 1 A 17 17 GLY HA2 H 17 3.951 4.151 -0.200 1
1 191 . 8 1 1 A 17 17 GLY HA3 H 17 3.399 4.431 -1.032 1
1 192 . 8 1 1 A 17 17 GLY C C 17 169.926 171.452 -1.526 1
1 193 . 8 1 1 A 17 17 GLY CA C 17 45.073 46.070 -0.997 1
1 194 . 8 1 1 A 17 17 GLY N N 17 105.719 106.300 -0.581 1
1 195 . 8 1 1 A 18 18 PHE H H 18 8.505 9.456 -0.951 1
1 196 . 8 1 1 A 18 18 PHE HA H 18 5.728 5.790 -0.062 1
1 204 . 8 1 1 A 18 18 PHE C C 18 175.023 175.263 -0.240 1
1 205 . 8 1 1 A 18 18 PHE CA C 18 56.493 56.143 0.350 1
1 206 . 8 1 1 A 18 18 PHE CB C 18 43.783 42.904 0.879 1
1 210 . 8 1 1 A 18 18 PHE N N 18 113.767 118.806 -5.039 1
1 211 . 8 1 1 A 19 19 ILE H H 19 9.615 9.130 0.485 1
1 212 . 8 1 1 A 19 19 ILE HA H 19 4.679 4.909 -0.230 1
1 222 . 8 1 1 A 19 19 ILE C C 19 174.894 174.449 0.445 1
1 223 . 8 1 1 A 19 19 ILE CA C 19 58.585 60.374 -1.789 1
1 224 . 8 1 1 A 19 19 ILE CB C 19 43.854 41.722 2.132 1
1 228 . 8 1 1 A 19 19 ILE N N 19 122.746 122.834 -0.088 1
1 229 . 8 1 1 A 20 20 LYS H H 20 8.971 9.070 -0.099 1
1 230 . 8 1 1 A 20 20 LYS HA H 20 5.241 5.304 -0.063 1
1 239 . 8 1 1 A 20 20 LYS C C 20 177.413 175.913 1.500 1
1 240 . 8 1 1 A 20 20 LYS CA C 20 54.622 55.062 -0.440 1
1 241 . 8 1 1 A 20 20 LYS CB C 20 33.070 34.723 -1.653 1
1 245 . 8 1 1 A 20 20 LYS N N 20 127.450 128.480 -1.030 1
1 246 . 8 1 1 A 21 21 ASP H H 21 9.363 8.179 1.184 1
1 247 . 8 1 1 A 21 21 ASP HA H 21 5.241 5.060 0.181 1
1 250 . 8 1 1 A 21 21 ASP C C 21 178.431 177.121 1.310 1
1 251 . 8 1 1 A 21 21 ASP CA C 21 52.981 51.804 1.177 1
1 252 . 8 1 1 A 21 21 ASP CB C 21 44.583 42.531 2.052 1
1 253 . 8 1 1 A 21 21 ASP N N 21 129.797 126.182 3.615 1
1 254 . 8 1 1 A 22 22 GLU H H 22 8.127 8.843 -0.716 1
1 255 . 8 1 1 A 22 22 GLU HA H 22 4.264 4.028 0.236 1
1 260 . 8 1 1 A 22 22 GLU C C 22 176.226 178.682 -2.456 1
1 261 . 8 1 1 A 22 22 GLU CA C 22 57.515 58.425 -0.910 1
1 262 . 8 1 1 A 22 22 GLU CB C 22 29.830 29.747 0.083 1
1 264 . 8 1 1 A 22 22 GLU N N 22 115.545 118.302 -2.757 1
1 265 . 8 1 1 A 23 23 ASN H H 23 8.606 8.422 0.184 1
1 266 . 8 1 1 A 23 23 ASN HA H 23 4.963 4.706 0.257 1
1 271 . 8 1 1 A 23 23 ASN C C 23 175.582 175.711 -0.129 1
1 272 . 8 1 1 A 23 23 ASN CA C 23 52.968 53.631 -0.663 1
1 273 . 8 1 1 A 23 23 ASN CB C 23 39.172 38.730 0.442 1
1 274 . 8 1 1 A 23 23 ASN N N 23 118.707 115.836 2.871 1
1 276 . 8 1 1 A 24 24 GLY H H 24 8.451 8.596 -0.145 1
1 277 . 8 1 1 A 24 24 GLY HA2 H 24 4.323 3.956 0.367 1
1 278 . 8 1 1 A 24 24 GLY HA3 H 24 3.484 3.961 -0.477 1
1 279 . 8 1 1 A 24 24 GLY C C 24 174.121 173.280 0.841 1
1 280 . 8 1 1 A 24 24 GLY CA C 24 44.816 45.522 -0.706 1
1 281 . 8 1 1 A 24 24 GLY N N 24 108.999 107.651 1.348 1
1 282 . 8 1 1 A 25 25 ASP H H 25 8.326 7.791 0.535 1
1 283 . 8 1 1 A 25 25 ASP HA H 25 4.792 5.157 -0.365 1
1 286 . 8 1 1 A 25 25 ASP C C 25 173.047 174.521 -1.474 1
1 287 . 8 1 1 A 25 25 ASP CA C 25 54.677 52.648 2.029 1
1 288 . 8 1 1 A 25 25 ASP CB C 25 41.577 44.724 -3.147 1
1 289 . 8 1 1 A 25 25 ASP N N 25 121.814 120.237 1.577 1
1 290 . 8 1 1 A 26 26 ASN H H 26 8.503 8.748 -0.245 1
1 291 . 8 1 1 A 26 26 ASN HA H 26 5.607 5.575 0.032 1
1 296 . 8 1 1 A 26 26 ASN C C 26 175.496 174.805 0.691 1
1 297 . 8 1 1 A 26 26 ASN CA C 26 52.290 52.293 -0.003 1
1 298 . 8 1 1 A 26 26 ASN CB C 26 40.017 39.895 0.122 1
1 299 . 8 1 1 A 26 26 ASN N N 26 119.224 119.845 -0.621 1
1 301 . 8 1 1 A 27 27 ARG H H 27 9.884 9.439 0.445 1
1 302 . 8 1 1 A 27 27 ARG HA H 27 4.720 5.065 -0.345 1
1 309 . 8 1 1 A 27 27 ARG C C 27 174.665 174.650 0.015 1
1 310 . 8 1 1 A 27 27 ARG CA C 27 54.314 54.681 -0.367 1
1 311 . 8 1 1 A 27 27 ARG CB C 27 33.562 33.275 0.287 1
1 314 . 8 1 1 A 27 27 ARG N N 27 122.242 123.408 -1.166 1
1 315 . 8 1 1 A 28 28 TYR H H 28 8.314 9.071 -0.757 1
1 316 . 8 1 1 A 28 28 TYR HA H 28 4.365 4.844 -0.479 1
1 323 . 8 1 1 A 28 28 TYR C C 28 174.765 174.187 0.578 1
1 324 . 8 1 1 A 28 28 TYR CA C 28 58.102 57.463 0.639 1
1 325 . 8 1 1 A 28 28 TYR CB C 28 39.606 39.965 -0.359 1
1 328 . 8 1 1 A 28 28 TYR N N 28 126.908 124.228 2.680 1
1 329 . 8 1 1 A 29 29 PHE H H 29 7.873 9.074 -1.201 1
1 330 . 8 1 1 A 29 29 PHE HA H 29 5.159 5.124 0.035 1
1 338 . 8 1 1 A 29 29 PHE C C 29 169.840 174.773 -4.933 1
1 339 . 8 1 1 A 29 29 PHE CA C 29 56.025 56.626 -0.601 1
1 340 . 8 1 1 A 29 29 PHE CB C 29 42.454 42.683 -0.229 1
1 344 . 8 1 1 A 29 29 PHE N N 29 124.137 126.194 -2.057 1
1 345 . 8 1 1 A 30 30 HIS H H 30 8.255 8.690 -0.435 1
1 346 . 8 1 1 A 30 30 HIS HA H 30 4.819 5.342 -0.523 1
1 351 . 8 1 1 A 30 30 HIS C C 30 176.598 175.438 1.160 1
1 352 . 8 1 1 A 30 30 HIS CA C 30 55.040 55.714 -0.674 1
1 353 . 8 1 1 A 30 30 HIS CB C 30 35.066 33.071 1.995 1
1 356 . 8 1 1 A 30 30 HIS N N 30 119.922 121.834 -1.912 1
1 357 . 8 1 1 A 31 31 VAL H H 31 8.390 9.472 -1.082 1
1 358 . 8 1 1 A 31 31 VAL HA H 31 3.911 3.985 -0.074 1
1 366 . 8 1 1 A 31 31 VAL C C 31 176.713 176.806 -0.093 1
1 367 . 8 1 1 A 31 31 VAL CA C 31 65.423 65.219 0.204 1
1 368 . 8 1 1 A 31 31 VAL CB C 31 32.354 31.914 0.440 1
1 371 . 8 1 1 A 31 31 VAL N N 31 126.977 124.425 2.552 1
1 372 . 8 1 1 A 32 32 ILE H H 32 10.207 7.381 2.826 1
1 373 . 8 1 1 A 32 32 ILE HA H 32 4.397 3.802 0.595 1
1 383 . 8 1 1 A 32 32 ILE C C 32 177.414 177.455 -0.041 1
1 384 . 8 1 1 A 32 32 ILE CA C 32 63.601 62.796 0.805 1
1 385 . 8 1 1 A 32 32 ILE CB C 32 38.023 37.300 0.723 1
1 389 . 8 1 1 A 32 32 ILE N N 32 123.360 120.146 3.214 1
1 390 . 8 1 1 A 33 33 LYS H H 33 8.435 7.553 0.882 1
1 391 . 8 1 1 A 33 33 LYS HA H 33 4.734 4.434 0.300 1
1 400 . 8 1 1 A 33 33 LYS C C 33 175.037 176.531 -1.494 1
1 401 . 8 1 1 A 33 33 LYS CA C 33 54.046 56.770 -2.724 1
1 402 . 8 1 1 A 33 33 LYS CB C 33 31.743 33.163 -1.420 1
1 406 . 8 1 1 A 33 33 LYS N N 33 118.502 120.006 -1.504 1
1 407 . 8 1 1 A 34 34 VAL H H 34 7.750 7.539 0.211 1
1 408 . 8 1 1 A 34 34 VAL HA H 34 4.672 4.182 0.490 1
1 416 . 8 1 1 A 34 34 VAL C C 34 175.911 175.651 0.260 1
1 417 . 8 1 1 A 34 34 VAL CA C 34 60.255 62.925 -2.670 1
1 418 . 8 1 1 A 34 34 VAL CB C 34 32.064 32.338 -0.274 1
1 421 . 8 1 1 A 34 34 VAL N N 34 120.487 120.625 -0.138 1
1 422 . 8 1 1 A 35 35 ALA H H 35 9.109 8.872 0.237 1
1 423 . 8 1 1 A 35 35 ALA HA H 35 4.143 4.346 -0.203 1
1 427 . 8 1 1 A 35 35 ALA C C 35 177.887 177.532 0.355 1
1 428 . 8 1 1 A 35 35 ALA CA C 35 54.562 53.303 1.259 1
1 429 . 8 1 1 A 35 35 ALA CB C 35 18.880 19.915 -1.035 1
1 430 . 8 1 1 A 35 35 ALA N N 35 129.552 128.590 0.962 1
1 431 . 8 1 1 A 36 36 ASN H H 36 8.169 7.252 0.917 1
1 432 . 8 1 1 A 36 36 ASN HA H 36 5.108 5.146 -0.038 1
1 437 . 8 1 1 A 36 36 ASN CA C 36 50.333 50.587 -0.254 1
1 438 . 8 1 1 A 36 36 ASN CB C 36 35.521 38.919 -3.398 1
1 439 . 8 1 1 A 36 36 ASN N N 36 112.302 115.936 -3.634 1
1 441 . 8 1 1 A 37 37 PRO HA H 37 3.891 4.252 -0.361 1
1 448 . 8 1 1 A 37 37 PRO C C 37 177.715 177.561 0.154 1
1 449 . 8 1 1 A 37 37 PRO CA C 37 64.104 64.665 -0.561 1
1 450 . 8 1 1 A 37 37 PRO CB C 37 32.380 32.053 0.327 1
1 453 . 8 1 1 A 38 38 ASP H H 38 8.843 8.235 0.608 1
1 454 . 8 1 1 A 38 38 ASP HA H 38 4.350 4.554 -0.204 1
1 457 . 8 1 1 A 38 38 ASP C C 38 176.942 177.340 -0.398 1
1 458 . 8 1 1 A 38 38 ASP CA C 38 56.035 55.969 0.066 1
1 459 . 8 1 1 A 38 38 ASP CB C 38 39.249 40.704 -1.455 1
1 460 . 8 1 1 A 38 38 ASP N N 38 118.913 117.330 1.583 1
1 461 . 8 1 1 A 39 39 LEU H H 39 7.548 7.518 0.030 1
1 462 . 8 1 1 A 39 39 LEU HA H 39 4.268 4.350 -0.082 1
1 472 . 8 1 1 A 39 39 LEU C C 39 176.727 177.055 -0.328 1
1 473 . 8 1 1 A 39 39 LEU CA C 39 54.091 54.554 -0.463 1
1 474 . 8 1 1 A 39 39 LEU CB C 39 41.404 41.908 -0.504 1
1 478 . 8 1 1 A 39 39 LEU N N 39 117.047 116.854 0.193 1
1 479 . 8 1 1 A 40 40 ILE H H 40 7.047 7.211 -0.164 1
1 480 . 8 1 1 A 40 40 ILE HA H 40 2.710 3.701 -0.991 1
1 490 . 8 1 1 A 40 40 ILE C C 40 174.794 175.865 -1.071 1
1 491 . 8 1 1 A 40 40 ILE CA C 40 64.352 61.612 2.740 1
1 492 . 8 1 1 A 40 40 ILE CB C 40 37.301 37.435 -0.134 1
1 496 . 8 1 1 A 40 40 ILE N N 40 118.412 121.435 -3.023 1
1 497 . 8 1 1 A 41 41 LYS H H 41 6.395 8.655 -2.260 1
1 498 . 8 1 1 A 41 41 LYS HA H 41 4.246 4.891 -0.645 1
1 507 . 8 1 1 A 41 41 LYS C C 41 174.422 174.679 -0.257 1
1 508 . 8 1 1 A 41 41 LYS CA C 41 54.521 53.970 0.551 1
1 509 . 8 1 1 A 41 41 LYS CB C 41 35.426 36.142 -0.716 1
1 513 . 8 1 1 A 41 41 LYS N N 41 122.843 126.880 -4.037 1
1 514 . 8 1 1 A 42 42 LYS H H 42 8.788 8.486 0.302 1
1 515 . 8 1 1 A 42 42 LYS HA H 42 3.603 4.195 -0.592 1
1 524 . 8 1 1 A 42 42 LYS C C 42 176.169 176.786 -0.617 1
1 525 . 8 1 1 A 42 42 LYS CA C 42 59.038 56.693 2.345 1
1 526 . 8 1 1 A 42 42 LYS CB C 42 31.981 32.930 -0.949 1
1 530 . 8 1 1 A 42 42 LYS N N 42 122.219 121.670 0.549 1
1 531 . 8 1 1 A 43 43 ASP H H 43 9.183 8.732 0.451 1
1 532 . 8 1 1 A 43 43 ASP HA H 43 4.191 4.261 -0.070 1
1 535 . 8 1 1 A 43 43 ASP C C 43 174.866 174.925 -0.059 1
1 536 . 8 1 1 A 43 43 ASP CA C 43 57.064 55.564 1.500 1
1 537 . 8 1 1 A 43 43 ASP CB C 43 38.724 40.406 -1.682 1
1 538 . 8 1 1 A 43 43 ASP N N 43 119.807 125.872 -6.065 1
1 539 . 8 1 1 A 44 44 ALA H H 44 7.669 7.737 -0.068 1
1 540 . 8 1 1 A 44 44 ALA HA H 44 4.273 4.477 -0.204 1
1 544 . 8 1 1 A 44 44 ALA C C 44 176.197 176.659 -0.462 1
1 545 . 8 1 1 A 44 44 ALA CA C 44 52.503 51.605 0.898 1
1 546 . 8 1 1 A 44 44 ALA CB C 44 19.511 20.822 -1.311 1
1 547 . 8 1 1 A 44 44 ALA N N 44 121.785 121.984 -0.199 1
1 548 . 8 1 1 A 45 45 ALA H H 45 8.522 8.599 -0.077 1
1 549 . 8 1 1 A 45 45 ALA HA H 45 4.820 5.515 -0.695 1
1 553 . 8 1 1 A 45 45 ALA C C 45 177.128 176.840 0.288 1
1 554 . 8 1 1 A 45 45 ALA CA C 45 51.512 50.263 1.249 1
1 555 . 8 1 1 A 45 45 ALA CB C 45 19.306 21.329 -2.023 1
1 556 . 8 1 1 A 45 45 ALA N N 45 125.014 122.575 2.439 1
1 557 . 8 1 1 A 46 46 VAL H H 46 8.358 9.237 -0.879 1
1 558 . 8 1 1 A 46 46 VAL HA H 46 5.659 4.922 0.737 1
1 566 . 8 1 1 A 46 46 VAL C C 46 177.199 174.670 2.529 1
1 567 . 8 1 1 A 46 46 VAL CA C 46 57.919 59.369 -1.450 1
1 568 . 8 1 1 A 46 46 VAL CB C 46 36.362 35.599 0.763 1
1 571 . 8 1 1 A 46 46 VAL N N 46 109.774 115.947 -6.173 1
1 572 . 8 1 1 A 47 47 THR H H 47 8.902 9.322 -0.420 1
1 573 . 8 1 1 A 47 47 THR HA H 47 5.462 5.100 0.362 1
1 578 . 8 1 1 A 47 47 THR C C 47 173.405 173.321 0.084 1
1 579 . 8 1 1 A 47 47 THR CA C 47 60.139 59.358 0.781 1
1 580 . 8 1 1 A 47 47 THR CB C 47 71.233 71.281 -0.048 1
1 582 . 8 1 1 A 47 47 THR N N 47 112.758 114.967 -2.209 1
1 583 . 8 1 1 A 48 48 PHE H H 48 8.423 8.045 0.378 1
1 584 . 8 1 1 A 48 48 PHE HA H 48 5.099 5.042 0.057 1
1 591 . 8 1 1 A 48 48 PHE C C 48 172.231 172.645 -0.414 1
1 592 . 8 1 1 A 48 48 PHE CA C 48 56.390 55.907 0.483 1
1 593 . 8 1 1 A 48 48 PHE CB C 48 41.169 41.056 0.113 1
1 596 . 8 1 1 A 48 48 PHE N N 48 115.866 118.139 -2.273 1
1 597 . 8 1 1 A 49 49 GLU H H 49 8.622 8.208 0.414 1
1 598 . 8 1 1 A 49 49 GLU HA H 49 4.907 5.032 -0.125 1
1 603 . 8 1 1 A 49 49 GLU CA C 49 51.497 53.981 -2.484 1
1 604 . 8 1 1 A 49 49 GLU CB C 49 28.890 32.009 -3.119 1
1 606 . 8 1 1 A 49 49 GLU N N 49 117.484 118.299 -0.815 1
1 607 . 8 1 1 A 50 50 PRO HA H 50 4.829 4.993 -0.164 1
1 614 . 8 1 1 A 50 50 PRO C C 50 175.925 175.004 0.921 1
1 615 . 8 1 1 A 50 50 PRO CA C 50 62.593 62.487 0.106 1
1 616 . 8 1 1 A 50 50 PRO CB C 50 32.917 33.156 -0.239 1
1 619 . 8 1 1 A 51 51 THR H H 51 7.621 8.551 -0.930 1
1 620 . 8 1 1 A 51 51 THR HA H 51 4.742 4.864 -0.122 1
1 625 . 8 1 1 A 51 51 THR C C 51 172.074 172.310 -0.236 1
1 626 . 8 1 1 A 51 51 THR CA C 51 60.558 60.289 0.269 1
1 627 . 8 1 1 A 51 51 THR CB C 51 68.841 70.030 -1.189 1
1 629 . 8 1 1 A 51 51 THR N N 51 112.909 116.275 -3.366 1
1 630 . 8 1 1 A 52 52 THR H H 52 8.367 8.766 -0.399 1
1 631 . 8 1 1 A 52 52 THR HA H 52 4.975 5.049 -0.074 1
1 636 . 8 1 1 A 52 52 THR C C 52 173.047 173.820 -0.773 1
1 637 . 8 1 1 A 52 52 THR CA C 52 60.794 59.500 1.294 1
1 638 . 8 1 1 A 52 52 THR CB C 52 71.210 71.640 -0.430 1
1 640 . 8 1 1 A 52 52 THR N N 52 117.260 114.272 2.988 1
1 641 . 8 1 1 A 53 53 ASN H H 53 8.827 9.150 -0.323 1
1 642 . 8 1 1 A 53 53 ASN HA H 53 4.756 4.953 -0.197 1
1 647 . 8 1 1 A 53 53 ASN CA C 53 53.430 51.948 1.482 1
1 648 . 8 1 1 A 53 53 ASN CB C 53 38.660 38.540 0.120 1
1 649 . 8 1 1 A 53 53 ASN N N 53 122.737 122.801 -0.064 1
1 651 . 8 1 1 A 54 54 ASN HA H 54 4.420 4.606 -0.186 1
1 656 . 8 1 1 A 54 54 ASN C C 54 176.154 176.337 -0.183 1
1 657 . 8 1 1 A 54 54 ASN CA C 54 55.580 55.224 0.356 1
1 658 . 8 1 1 A 54 54 ASN CB C 54 36.917 38.132 -1.215 1
1 660 . 8 1 1 A 55 55 LYS H H 55 8.190 8.518 -0.328 1
1 661 . 8 1 1 A 55 55 LYS HA H 55 4.225 4.003 0.222 1
1 670 . 8 1 1 A 55 55 LYS C C 55 176.154 176.735 -0.581 1
1 671 . 8 1 1 A 55 55 LYS CA C 55 55.113 58.466 -3.353 1
1 672 . 8 1 1 A 55 55 LYS CB C 55 31.703 32.943 -1.240 1
1 676 . 8 1 1 A 55 55 LYS N N 55 117.935 117.520 0.415 1
1 677 . 8 1 1 A 56 56 GLY H H 56 7.966 7.378 0.588 1
1 678 . 8 1 1 A 56 56 GLY HA2 H 56 4.496 4.074 0.422 1
1 679 . 8 1 1 A 56 56 GLY HA3 H 56 3.794 4.076 -0.282 1
1 680 . 8 1 1 A 56 56 GLY C C 56 173.262 172.055 1.207 1
1 681 . 8 1 1 A 56 56 GLY CA C 56 44.177 45.813 -1.636 1
1 682 . 8 1 1 A 56 56 GLY N N 56 108.898 103.794 5.104 1
1 683 . 8 1 1 A 57 57 LEU H H 57 8.716 8.636 0.080 1
1 684 . 8 1 1 A 57 57 LEU HA H 57 4.442 4.657 -0.215 1
1 694 . 8 1 1 A 57 57 LEU C C 57 178.488 175.852 2.636 1
1 695 . 8 1 1 A 57 57 LEU CA C 57 56.424 55.099 1.325 1
1 696 . 8 1 1 A 57 57 LEU CB C 57 42.582 42.750 -0.168 1
1 700 . 8 1 1 A 57 57 LEU N N 57 122.286 123.710 -1.424 1
1 701 . 8 1 1 A 58 58 SER H H 58 9.033 8.612 0.421 1
1 702 . 8 1 1 A 58 58 SER HA H 58 5.696 4.727 0.969 1
1 705 . 8 1 1 A 58 58 SER C C 58 173.820 172.376 1.444 1
1 706 . 8 1 1 A 58 58 SER CA C 58 56.715 57.650 -0.935 1
1 707 . 8 1 1 A 58 58 SER CB C 58 65.779 67.203 -1.424 1
1 708 . 8 1 1 A 58 58 SER N N 58 117.913 117.774 0.139 1
1 709 . 8 1 1 A 59 59 ALA H H 59 8.775 8.001 0.774 1
1 710 . 8 1 1 A 59 59 ALA HA H 59 5.409 5.181 0.228 1
1 714 . 8 1 1 A 59 59 ALA C C 59 174.966 175.540 -0.574 1
1 715 . 8 1 1 A 59 59 ALA CA C 59 50.783 50.359 0.424 1
1 716 . 8 1 1 A 59 59 ALA CB C 59 23.985 23.730 0.255 1
1 717 . 8 1 1 A 59 59 ALA N N 59 125.556 122.808 2.748 1
1 718 . 8 1 1 A 60 60 TYR H H 60 9.347 8.062 1.285 1
1 719 . 8 1 1 A 60 60 TYR HA H 60 5.030 5.050 -0.020 1
1 726 . 8 1 1 A 60 60 TYR C C 60 171.673 173.978 -2.305 1
1 727 . 8 1 1 A 60 60 TYR CA C 60 55.484 55.997 -0.513 1
1 728 . 8 1 1 A 60 60 TYR CB C 60 39.502 41.164 -1.662 1
1 731 . 8 1 1 A 60 60 TYR N N 60 118.946 116.289 2.657 1
1 732 . 8 1 1 A 61 61 ALA H H 61 9.176 8.338 0.838 1
1 733 . 8 1 1 A 61 61 ALA HA H 61 4.116 3.961 0.155 1
1 737 . 8 1 1 A 61 61 ALA C C 61 175.825 176.623 -0.798 1
1 738 . 8 1 1 A 61 61 ALA CA C 61 52.809 52.994 -0.185 1
1 739 . 8 1 1 A 61 61 ALA CB C 61 16.597 17.378 -0.781 1
1 740 . 8 1 1 A 61 61 ALA N N 61 124.113 120.652 3.461 1
1 741 . 8 1 1 A 62 62 VAL H H 62 7.968 7.801 0.167 1
1 742 . 8 1 1 A 62 62 VAL HA H 62 4.300 4.377 -0.077 1
1 750 . 8 1 1 A 62 62 VAL C C 62 175.395 175.322 0.073 1
1 751 . 8 1 1 A 62 62 VAL CA C 62 62.252 62.693 -0.441 1
1 752 . 8 1 1 A 62 62 VAL CB C 62 31.435 31.447 -0.012 1
1 755 . 8 1 1 A 62 62 VAL N N 62 116.561 118.388 -1.827 1
1 756 . 8 1 1 A 63 63 LYS H H 63 9.208 9.046 0.162 1
1 757 . 8 1 1 A 63 63 LYS HA H 63 4.633 4.936 -0.303 1
1 766 . 8 1 1 A 63 63 LYS C C 63 175.238 175.712 -0.474 1
1 767 . 8 1 1 A 63 63 LYS CA C 63 54.729 55.072 -0.343 1
1 768 . 8 1 1 A 63 63 LYS CB C 63 34.859 34.435 0.424 1
1 772 . 8 1 1 A 63 63 LYS N N 63 128.892 124.598 4.294 1
1 773 . 8 1 1 A 64 64 VAL H H 64 9.588 8.780 0.808 1
1 774 . 8 1 1 A 64 64 VAL HA H 64 4.345 4.095 0.250 1
1 782 . 8 1 1 A 64 64 VAL C C 64 176.856 175.640 1.216 1
1 783 . 8 1 1 A 64 64 VAL CA C 64 62.563 62.986 -0.423 1
1 784 . 8 1 1 A 64 64 VAL CB C 64 30.916 32.253 -1.337 1
1 787 . 8 1 1 A 64 64 VAL N N 64 126.595 124.360 2.235 1
1 788 . 8 1 1 A 65 65 VAL H H 65 8.597 8.901 -0.304 1
1 789 . 8 1 1 A 65 65 VAL HA H 65 4.370 4.495 -0.125 1
1 797 . 8 1 1 A 65 65 VAL CA C 65 62.480 59.293 3.187 1
1 798 . 8 1 1 A 65 65 VAL CB C 65 32.436 31.615 0.821 1
1 801 . 8 1 1 A 65 65 VAL N N 65 127.945 126.555 1.390 1
1 802 . 8 1 1 A 66 66 PRO HA H 66 4.385 4.682 -0.297 1
1 809 . 8 1 1 A 66 66 PRO C C 66 176.627 176.491 0.136 1
1 810 . 8 1 1 A 66 66 PRO CA C 66 62.511 61.551 0.960 1
1 811 . 8 1 1 A 66 66 PRO CB C 66 31.875 32.776 -0.901 1
1 814 . 8 1 1 A 67 67 LEU H H 67 8.236 8.739 -0.503 1
1 815 . 8 1 1 A 67 67 LEU HA H 67 4.181 4.256 -0.075 1
1 825 . 8 1 1 A 67 67 LEU C C 67 177.357 176.971 0.386 1
1 826 . 8 1 1 A 67 67 LEU CA C 67 55.352 56.268 -0.916 1
1 827 . 8 1 1 A 67 67 LEU CB C 67 42.355 42.707 -0.352 1
1 831 . 8 1 1 A 67 67 LEU N N 67 122.691 119.851 2.840 1
1 832 . 8 1 1 A 68 68 GLU H H 68 8.432 7.620 0.812 1
1 833 . 8 1 1 A 68 68 GLU HA H 68 4.184 4.655 -0.471 1
1 838 . 8 1 1 A 68 68 GLU C C 68 176.054 175.856 0.198 1
1 839 . 8 1 1 A 68 68 GLU CA C 68 56.250 55.016 1.234 1
1 840 . 8 1 1 A 68 68 GLU CB C 68 30.077 32.240 -2.163 1
1 842 . 8 1 1 A 68 68 GLU N N 68 121.298 118.496 2.802 1
1 843 . 8 1 1 A 69 69 HIS H H 69 8.303 8.990 -0.687 1
1 844 . 8 1 1 A 69 69 HIS HA H 69 4.517 4.195 0.322 1
1 849 . 8 1 1 A 69 69 HIS C C 69 173.863 174.882 -1.019 1
1 850 . 8 1 1 A 69 69 HIS CA C 69 55.663 57.939 -2.276 1
1 851 . 8 1 1 A 69 69 HIS CB C 69 29.904 29.852 0.052 1
1 1 . 9 1 1 A 2 2 ALA HA H 2 3.908 5.245 -1.337 1
1 5 . 9 1 1 A 2 2 ALA C C 2 174.665 176.767 -2.102 1
1 6 . 9 1 1 A 2 2 ALA CA C 2 51.696 50.422 1.274 1
1 7 . 9 1 1 A 2 2 ALA CB C 2 19.380 20.645 -1.265 1
1 8 . 9 1 1 A 3 3 MET H H 3 8.516 9.219 -0.703 1
1 9 . 9 1 1 A 3 3 MET HA H 3 4.349 5.033 -0.684 1
1 17 . 9 1 1 A 3 3 MET C C 3 173.119 174.458 -1.339 1
1 18 . 9 1 1 A 3 3 MET CA C 3 54.457 54.038 0.419 1
1 19 . 9 1 1 A 3 3 MET CB C 3 37.020 35.498 1.522 1
1 22 . 9 1 1 A 3 3 MET N N 3 118.958 121.245 -2.287 1
1 23 . 9 1 1 A 4 4 ASN H H 4 8.627 8.735 -0.108 1
1 24 . 9 1 1 A 4 4 ASN HA H 4 5.470 5.310 0.160 1
1 29 . 9 1 1 A 4 4 ASN C C 4 175.782 175.009 0.773 1
1 30 . 9 1 1 A 4 4 ASN CA C 4 52.043 51.679 0.364 1
1 31 . 9 1 1 A 4 4 ASN CB C 4 41.102 40.028 1.074 1
1 32 . 9 1 1 A 4 4 ASN N N 4 116.608 117.586 -0.978 1
1 34 . 9 1 1 A 5 5 GLY H H 5 8.444 8.287 0.157 1
1 35 . 9 1 1 A 5 5 GLY HA2 H 5 4.652 4.455 0.197 1
1 36 . 9 1 1 A 5 5 GLY HA3 H 5 3.710 4.687 -0.977 1
1 37 . 9 1 1 A 5 5 GLY C C 5 171.487 171.682 -0.195 1
1 38 . 9 1 1 A 5 5 GLY CA C 5 46.682 45.241 1.441 1
1 39 . 9 1 1 A 5 5 GLY N N 5 104.747 108.436 -3.689 1
1 40 . 9 1 1 A 6 6 THR H H 6 8.303 9.325 -1.022 1
1 41 . 9 1 1 A 6 6 THR HA H 6 5.193 5.211 -0.018 1
1 46 . 9 1 1 A 6 6 THR C C 6 173.634 173.926 -0.292 1
1 47 . 9 1 1 A 6 6 THR CA C 6 60.367 61.241 -0.874 1
1 48 . 9 1 1 A 6 6 THR CB C 6 72.071 71.116 0.955 1
1 50 . 9 1 1 A 6 6 THR N N 6 114.893 115.343 -0.450 1
1 51 . 9 1 1 A 7 7 ILE H H 7 8.887 8.907 -0.020 1
1 52 . 9 1 1 A 7 7 ILE HA H 7 4.189 4.049 0.140 1
1 62 . 9 1 1 A 7 7 ILE C C 7 175.782 177.029 -1.247 1
1 63 . 9 1 1 A 7 7 ILE CA C 7 62.394 61.771 0.623 1
1 64 . 9 1 1 A 7 7 ILE CB C 7 37.461 36.708 0.753 1
1 68 . 9 1 1 A 7 7 ILE N N 7 125.014 127.205 -2.191 1
1 69 . 9 1 1 A 8 8 THR H H 8 8.968 8.775 0.193 1
1 70 . 9 1 1 A 8 8 THR HA H 8 4.583 4.546 0.037 1
1 75 . 9 1 1 A 8 8 THR C C 8 175.352 174.938 0.414 1
1 76 . 9 1 1 A 8 8 THR CA C 8 62.547 62.419 0.128 1
1 77 . 9 1 1 A 8 8 THR CB C 8 69.324 69.658 -0.334 1
1 79 . 9 1 1 A 8 8 THR N N 8 123.264 119.746 3.518 1
1 80 . 9 1 1 A 9 9 THR H H 9 7.744 7.850 -0.106 1
1 81 . 9 1 1 A 9 9 THR HA H 9 4.408 5.017 -0.609 1
1 86 . 9 1 1 A 9 9 THR C C 9 171.759 172.963 -1.204 1
1 87 . 9 1 1 A 9 9 THR CA C 9 61.370 61.362 0.008 1
1 88 . 9 1 1 A 9 9 THR CB C 9 72.472 71.107 1.365 1
1 90 . 9 1 1 A 9 9 THR N N 9 116.608 115.077 1.531 1
1 91 . 9 1 1 A 10 10 TRP H H 10 8.620 8.599 0.021 1
1 92 . 9 1 1 A 10 10 TRP HA H 10 4.844 5.169 -0.325 1
1 101 . 9 1 1 A 10 10 TRP C C 10 172.833 174.251 -1.418 1
1 102 . 9 1 1 A 10 10 TRP CA C 10 55.471 54.832 0.639 1
1 103 . 9 1 1 A 10 10 TRP CB C 10 32.843 32.472 0.371 1
1 109 . 9 1 1 A 10 10 TRP N N 10 126.095 128.804 -2.709 1
1 111 . 9 1 1 A 11 11 PHE H H 11 7.892 8.443 -0.551 1
1 112 . 9 1 1 A 11 11 PHE HA H 11 4.508 4.434 0.074 1
1 120 . 9 1 1 A 11 11 PHE C C 11 174.493 175.079 -0.586 1
1 121 . 9 1 1 A 11 11 PHE CA C 11 54.001 56.134 -2.133 1
1 122 . 9 1 1 A 11 11 PHE CB C 11 36.906 37.569 -0.663 1
1 126 . 9 1 1 A 11 11 PHE N N 11 127.953 126.418 1.535 1
1 127 . 9 1 1 A 12 12 LYS H H 12 7.844 7.679 0.165 1
1 128 . 9 1 1 A 12 12 LYS HA H 12 2.844 3.046 -0.202 1
1 137 . 9 1 1 A 12 12 LYS C C 12 177.701 177.139 0.562 1
1 138 . 9 1 1 A 12 12 LYS CA C 12 59.164 59.568 -0.404 1
1 139 . 9 1 1 A 12 12 LYS CB C 12 32.427 32.038 0.389 1
1 143 . 9 1 1 A 12 12 LYS N N 12 125.042 124.567 0.475 1
1 144 . 9 1 1 A 13 13 ASP H H 13 8.638 7.894 0.744 1
1 145 . 9 1 1 A 13 13 ASP HA H 13 4.281 4.295 -0.014 1
1 148 . 9 1 1 A 13 13 ASP C C 13 176.827 178.116 -1.289 1
1 149 . 9 1 1 A 13 13 ASP CA C 13 55.401 56.521 -1.120 1
1 150 . 9 1 1 A 13 13 ASP CB C 13 39.349 40.675 -1.326 1
1 151 . 9 1 1 A 13 13 ASP N N 13 114.668 118.505 -3.837 1
1 152 . 9 1 1 A 14 14 LYS H H 14 6.965 7.409 -0.444 1
1 153 . 9 1 1 A 14 14 LYS HA H 14 4.425 4.160 0.265 1
1 162 . 9 1 1 A 14 14 LYS C C 14 176.913 176.723 0.190 1
1 163 . 9 1 1 A 14 14 LYS CA C 14 55.288 56.446 -1.158 1
1 164 . 9 1 1 A 14 14 LYS CB C 14 34.562 32.676 1.886 1
1 168 . 9 1 1 A 14 14 LYS N N 14 116.507 116.231 0.276 1
1 169 . 9 1 1 A 15 15 GLY H H 15 7.619 8.448 -0.829 1
1 170 . 9 1 1 A 15 15 GLY HA2 H 15 3.875 3.875 0.000 1
1 171 . 9 1 1 A 15 15 GLY HA3 H 15 3.499 4.008 -0.509 1
1 172 . 9 1 1 A 15 15 GLY C C 15 171.358 173.701 -2.343 1
1 173 . 9 1 1 A 15 15 GLY CA C 15 46.020 45.287 0.733 1
1 174 . 9 1 1 A 15 15 GLY N N 15 107.093 106.485 0.608 1
1 175 . 9 1 1 A 16 16 PHE H H 16 6.663 7.088 -0.425 1
1 176 . 9 1 1 A 16 16 PHE HA H 16 4.866 5.442 -0.576 1
1 183 . 9 1 1 A 16 16 PHE C C 16 171.472 173.382 -1.910 1
1 184 . 9 1 1 A 16 16 PHE CA C 16 54.765 55.330 -0.565 1
1 185 . 9 1 1 A 16 16 PHE CB C 16 41.805 42.157 -0.352 1
1 188 . 9 1 1 A 16 16 PHE N N 16 112.369 114.342 -1.973 1
1 189 . 9 1 1 A 17 17 GLY H H 17 7.436 8.716 -1.280 1
1 190 . 9 1 1 A 17 17 GLY HA2 H 17 3.951 4.306 -0.355 1
1 191 . 9 1 1 A 17 17 GLY HA3 H 17 3.399 4.545 -1.146 1
1 192 . 9 1 1 A 17 17 GLY C C 17 169.926 171.408 -1.482 1
1 193 . 9 1 1 A 17 17 GLY CA C 17 45.073 45.926 -0.853 1
1 194 . 9 1 1 A 17 17 GLY N N 17 105.719 106.518 -0.799 1
1 195 . 9 1 1 A 18 18 PHE H H 18 8.505 9.159 -0.654 1
1 196 . 9 1 1 A 18 18 PHE HA H 18 5.728 5.672 0.056 1
1 204 . 9 1 1 A 18 18 PHE C C 18 175.023 174.913 0.110 1
1 205 . 9 1 1 A 18 18 PHE CA C 18 56.493 56.316 0.177 1
1 206 . 9 1 1 A 18 18 PHE CB C 18 43.783 42.985 0.798 1
1 210 . 9 1 1 A 18 18 PHE N N 18 113.767 118.830 -5.063 1
1 211 . 9 1 1 A 19 19 ILE H H 19 9.615 9.078 0.537 1
1 212 . 9 1 1 A 19 19 ILE HA H 19 4.679 4.852 -0.173 1
1 222 . 9 1 1 A 19 19 ILE C C 19 174.894 174.332 0.562 1
1 223 . 9 1 1 A 19 19 ILE CA C 19 58.585 60.196 -1.611 1
1 224 . 9 1 1 A 19 19 ILE CB C 19 43.854 40.475 3.379 1
1 228 . 9 1 1 A 19 19 ILE N N 19 122.746 122.778 -0.032 1
1 229 . 9 1 1 A 20 20 LYS H H 20 8.971 9.050 -0.079 1
1 230 . 9 1 1 A 20 20 LYS HA H 20 5.241 5.249 -0.008 1
1 239 . 9 1 1 A 20 20 LYS C C 20 177.413 176.124 1.289 1
1 240 . 9 1 1 A 20 20 LYS CA C 20 54.622 54.977 -0.355 1
1 241 . 9 1 1 A 20 20 LYS CB C 20 33.070 34.568 -1.498 1
1 245 . 9 1 1 A 20 20 LYS N N 20 127.450 128.575 -1.125 1
1 246 . 9 1 1 A 21 21 ASP H H 21 9.363 8.450 0.913 1
1 247 . 9 1 1 A 21 21 ASP HA H 21 5.241 5.056 0.185 1
1 250 . 9 1 1 A 21 21 ASP C C 21 178.431 176.830 1.601 1
1 251 . 9 1 1 A 21 21 ASP CA C 21 52.981 52.803 0.178 1
1 252 . 9 1 1 A 21 21 ASP CB C 21 44.583 41.569 3.014 1
1 253 . 9 1 1 A 21 21 ASP N N 21 129.797 125.823 3.974 1
1 254 . 9 1 1 A 22 22 GLU H H 22 8.127 8.457 -0.330 1
1 255 . 9 1 1 A 22 22 GLU HA H 22 4.264 4.441 -0.177 1
1 260 . 9 1 1 A 22 22 GLU C C 22 176.226 177.412 -1.186 1
1 261 . 9 1 1 A 22 22 GLU CA C 22 57.515 57.157 0.358 1
1 262 . 9 1 1 A 22 22 GLU CB C 22 29.830 29.860 -0.030 1
1 264 . 9 1 1 A 22 22 GLU N N 22 115.545 119.589 -4.044 1
1 265 . 9 1 1 A 23 23 ASN H H 23 8.606 8.580 0.026 1
1 266 . 9 1 1 A 23 23 ASN HA H 23 4.963 5.010 -0.047 1
1 271 . 9 1 1 A 23 23 ASN C C 23 175.582 177.108 -1.526 1
1 272 . 9 1 1 A 23 23 ASN CA C 23 52.968 54.684 -1.716 1
1 273 . 9 1 1 A 23 23 ASN CB C 23 39.172 40.469 -1.297 1
1 274 . 9 1 1 A 23 23 ASN N N 23 118.707 118.960 -0.253 1
1 276 . 9 1 1 A 24 24 GLY H H 24 8.451 8.811 -0.360 1
1 277 . 9 1 1 A 24 24 GLY HA2 H 24 4.323 3.923 0.400 1
1 278 . 9 1 1 A 24 24 GLY HA3 H 24 3.484 3.943 -0.459 1
1 279 . 9 1 1 A 24 24 GLY C C 24 174.121 173.694 0.427 1
1 280 . 9 1 1 A 24 24 GLY CA C 24 44.816 45.299 -0.483 1
1 281 . 9 1 1 A 24 24 GLY N N 24 108.999 107.897 1.102 1
1 282 . 9 1 1 A 25 25 ASP H H 25 8.326 7.519 0.807 1
1 283 . 9 1 1 A 25 25 ASP HA H 25 4.792 4.951 -0.159 1
1 286 . 9 1 1 A 25 25 ASP C C 25 173.047 174.623 -1.576 1
1 287 . 9 1 1 A 25 25 ASP CA C 25 54.677 52.848 1.829 1
1 288 . 9 1 1 A 25 25 ASP CB C 25 41.577 43.744 -2.167 1
1 289 . 9 1 1 A 25 25 ASP N N 25 121.814 119.125 2.689 1
1 290 . 9 1 1 A 26 26 ASN H H 26 8.503 8.683 -0.180 1
1 291 . 9 1 1 A 26 26 ASN HA H 26 5.607 5.119 0.488 1
1 296 . 9 1 1 A 26 26 ASN C C 26 175.496 175.329 0.167 1
1 297 . 9 1 1 A 26 26 ASN CA C 26 52.290 53.131 -0.841 1
1 298 . 9 1 1 A 26 26 ASN CB C 26 40.017 38.789 1.228 1
1 299 . 9 1 1 A 26 26 ASN N N 26 119.224 118.774 0.450 1
1 301 . 9 1 1 A 27 27 ARG H H 27 9.884 9.308 0.576 1
1 302 . 9 1 1 A 27 27 ARG HA H 27 4.720 4.956 -0.236 1
1 309 . 9 1 1 A 27 27 ARG C C 27 174.665 175.228 -0.563 1
1 310 . 9 1 1 A 27 27 ARG CA C 27 54.314 54.584 -0.270 1
1 311 . 9 1 1 A 27 27 ARG CB C 27 33.562 32.901 0.661 1
1 314 . 9 1 1 A 27 27 ARG N N 27 122.242 123.432 -1.190 1
1 315 . 9 1 1 A 28 28 TYR H H 28 8.314 9.326 -1.012 1
1 316 . 9 1 1 A 28 28 TYR HA H 28 4.365 4.901 -0.536 1
1 323 . 9 1 1 A 28 28 TYR C C 28 174.765 174.325 0.440 1
1 324 . 9 1 1 A 28 28 TYR CA C 28 58.102 58.596 -0.494 1
1 325 . 9 1 1 A 28 28 TYR CB C 28 39.606 39.192 0.414 1
1 328 . 9 1 1 A 28 28 TYR N N 28 126.908 124.070 2.838 1
1 329 . 9 1 1 A 29 29 PHE H H 29 7.873 8.907 -1.034 1
1 330 . 9 1 1 A 29 29 PHE HA H 29 5.159 4.876 0.283 1
1 338 . 9 1 1 A 29 29 PHE C C 29 169.840 174.459 -4.619 1
1 339 . 9 1 1 A 29 29 PHE CA C 29 56.025 56.385 -0.360 1
1 340 . 9 1 1 A 29 29 PHE CB C 29 42.454 42.682 -0.228 1
1 344 . 9 1 1 A 29 29 PHE N N 29 124.137 125.858 -1.721 1
1 345 . 9 1 1 A 30 30 HIS H H 30 8.255 8.615 -0.360 1
1 346 . 9 1 1 A 30 30 HIS HA H 30 4.819 5.216 -0.397 1
1 351 . 9 1 1 A 30 30 HIS C C 30 176.598 175.125 1.473 1
1 352 . 9 1 1 A 30 30 HIS CA C 30 55.040 56.049 -1.009 1
1 353 . 9 1 1 A 30 30 HIS CB C 30 35.066 33.550 1.516 1
1 356 . 9 1 1 A 30 30 HIS N N 30 119.922 120.593 -0.671 1
1 357 . 9 1 1 A 31 31 VAL H H 31 8.390 8.818 -0.428 1
1 358 . 9 1 1 A 31 31 VAL HA H 31 3.911 3.787 0.124 1
1 366 . 9 1 1 A 31 31 VAL C C 31 176.713 176.697 0.016 1
1 367 . 9 1 1 A 31 31 VAL CA C 31 65.423 65.142 0.281 1
1 368 . 9 1 1 A 31 31 VAL CB C 31 32.354 31.773 0.581 1
1 371 . 9 1 1 A 31 31 VAL N N 31 126.977 125.035 1.942 1
1 372 . 9 1 1 A 32 32 ILE H H 32 10.207 7.325 2.882 1
1 373 . 9 1 1 A 32 32 ILE HA H 32 4.397 3.741 0.656 1
1 383 . 9 1 1 A 32 32 ILE C C 32 177.414 177.048 0.366 1
1 384 . 9 1 1 A 32 32 ILE CA C 32 63.601 62.873 0.728 1
1 385 . 9 1 1 A 32 32 ILE CB C 32 38.023 37.227 0.796 1
1 389 . 9 1 1 A 32 32 ILE N N 32 123.360 119.955 3.405 1
1 390 . 9 1 1 A 33 33 LYS H H 33 8.435 7.618 0.817 1
1 391 . 9 1 1 A 33 33 LYS HA H 33 4.734 4.514 0.220 1
1 400 . 9 1 1 A 33 33 LYS C C 33 175.037 175.482 -0.445 1
1 401 . 9 1 1 A 33 33 LYS CA C 33 54.046 56.026 -1.980 1
1 402 . 9 1 1 A 33 33 LYS CB C 33 31.743 33.643 -1.900 1
1 406 . 9 1 1 A 33 33 LYS N N 33 118.502 119.384 -0.882 1
1 407 . 9 1 1 A 34 34 VAL H H 34 7.750 7.697 0.053 1
1 408 . 9 1 1 A 34 34 VAL HA H 34 4.672 4.287 0.385 1
1 416 . 9 1 1 A 34 34 VAL C C 34 175.911 176.010 -0.099 1
1 417 . 9 1 1 A 34 34 VAL CA C 34 60.255 62.519 -2.264 1
1 418 . 9 1 1 A 34 34 VAL CB C 34 32.064 32.401 -0.337 1
1 421 . 9 1 1 A 34 34 VAL N N 34 120.487 120.914 -0.427 1
1 422 . 9 1 1 A 35 35 ALA H H 35 9.109 8.675 0.434 1
1 423 . 9 1 1 A 35 35 ALA HA H 35 4.143 4.201 -0.058 1
1 427 . 9 1 1 A 35 35 ALA C C 35 177.887 177.977 -0.090 1
1 428 . 9 1 1 A 35 35 ALA CA C 35 54.562 54.215 0.347 1
1 429 . 9 1 1 A 35 35 ALA CB C 35 18.880 19.334 -0.454 1
1 430 . 9 1 1 A 35 35 ALA N N 35 129.552 127.998 1.554 1
1 431 . 9 1 1 A 36 36 ASN H H 36 8.169 7.656 0.513 1
1 432 . 9 1 1 A 36 36 ASN HA H 36 5.108 5.135 -0.027 1
1 437 . 9 1 1 A 36 36 ASN CA C 36 50.333 50.581 -0.248 1
1 438 . 9 1 1 A 36 36 ASN CB C 36 35.521 39.122 -3.601 1
1 439 . 9 1 1 A 36 36 ASN N N 36 112.302 114.899 -2.597 1
1 441 . 9 1 1 A 37 37 PRO HA H 37 3.891 4.243 -0.352 1
1 448 . 9 1 1 A 37 37 PRO C C 37 177.715 177.469 0.246 1
1 449 . 9 1 1 A 37 37 PRO CA C 37 64.104 64.294 -0.190 1
1 450 . 9 1 1 A 37 37 PRO CB C 37 32.380 31.969 0.411 1
1 453 . 9 1 1 A 38 38 ASP H H 38 8.843 8.261 0.582 1
1 454 . 9 1 1 A 38 38 ASP HA H 38 4.350 4.581 -0.231 1
1 457 . 9 1 1 A 38 38 ASP C C 38 176.942 177.006 -0.064 1
1 458 . 9 1 1 A 38 38 ASP CA C 38 56.035 55.785 0.250 1
1 459 . 9 1 1 A 38 38 ASP CB C 38 39.249 40.635 -1.386 1
1 460 . 9 1 1 A 38 38 ASP N N 38 118.913 117.451 1.462 1
1 461 . 9 1 1 A 39 39 LEU H H 39 7.548 7.545 0.003 1
1 462 . 9 1 1 A 39 39 LEU HA H 39 4.268 4.319 -0.051 1
1 472 . 9 1 1 A 39 39 LEU C C 39 176.727 176.443 0.284 1
1 473 . 9 1 1 A 39 39 LEU CA C 39 54.091 53.913 0.178 1
1 474 . 9 1 1 A 39 39 LEU CB C 39 41.404 41.587 -0.183 1
1 478 . 9 1 1 A 39 39 LEU N N 39 117.047 116.382 0.665 1
1 479 . 9 1 1 A 40 40 ILE H H 40 7.047 7.111 -0.064 1
1 480 . 9 1 1 A 40 40 ILE HA H 40 2.710 3.666 -0.956 1
1 490 . 9 1 1 A 40 40 ILE C C 40 174.794 175.267 -0.473 1
1 491 . 9 1 1 A 40 40 ILE CA C 40 64.352 61.125 3.227 1
1 492 . 9 1 1 A 40 40 ILE CB C 40 37.301 37.032 0.269 1
1 496 . 9 1 1 A 40 40 ILE N N 40 118.412 121.277 -2.865 1
1 497 . 9 1 1 A 41 41 LYS H H 41 6.395 8.528 -2.133 1
1 498 . 9 1 1 A 41 41 LYS HA H 41 4.246 4.834 -0.588 1
1 507 . 9 1 1 A 41 41 LYS C C 41 174.422 175.184 -0.762 1
1 508 . 9 1 1 A 41 41 LYS CA C 41 54.521 53.982 0.539 1
1 509 . 9 1 1 A 41 41 LYS CB C 41 35.426 35.342 0.084 1
1 513 . 9 1 1 A 41 41 LYS N N 41 122.843 126.957 -4.114 1
1 514 . 9 1 1 A 42 42 LYS H H 42 8.788 8.584 0.204 1
1 515 . 9 1 1 A 42 42 LYS HA H 42 3.603 3.917 -0.314 1
1 524 . 9 1 1 A 42 42 LYS C C 42 176.169 176.909 -0.740 1
1 525 . 9 1 1 A 42 42 LYS CA C 42 59.038 57.907 1.131 1
1 526 . 9 1 1 A 42 42 LYS CB C 42 31.981 32.465 -0.484 1
1 530 . 9 1 1 A 42 42 LYS N N 42 122.219 122.647 -0.428 1
1 531 . 9 1 1 A 43 43 ASP H H 43 9.183 9.483 -0.300 1
1 532 . 9 1 1 A 43 43 ASP HA H 43 4.191 4.189 0.002 1
1 535 . 9 1 1 A 43 43 ASP C C 43 174.866 175.095 -0.229 1
1 536 . 9 1 1 A 43 43 ASP CA C 43 57.064 55.635 1.429 1
1 537 . 9 1 1 A 43 43 ASP CB C 43 38.724 39.276 -0.552 1
1 538 . 9 1 1 A 43 43 ASP N N 43 119.807 120.379 -0.572 1
1 539 . 9 1 1 A 44 44 ALA H H 44 7.669 7.396 0.273 1
1 540 . 9 1 1 A 44 44 ALA HA H 44 4.273 4.526 -0.253 1
1 544 . 9 1 1 A 44 44 ALA C C 44 176.197 176.852 -0.655 1
1 545 . 9 1 1 A 44 44 ALA CA C 44 52.503 51.332 1.171 1
1 546 . 9 1 1 A 44 44 ALA CB C 44 19.511 20.954 -1.443 1
1 547 . 9 1 1 A 44 44 ALA N N 44 121.785 120.768 1.017 1
1 548 . 9 1 1 A 45 45 ALA H H 45 8.522 8.488 0.034 1
1 549 . 9 1 1 A 45 45 ALA HA H 45 4.820 5.113 -0.293 1
1 553 . 9 1 1 A 45 45 ALA C C 45 177.128 177.096 0.032 1
1 554 . 9 1 1 A 45 45 ALA CA C 45 51.512 50.852 0.660 1
1 555 . 9 1 1 A 45 45 ALA CB C 45 19.306 20.814 -1.508 1
1 556 . 9 1 1 A 45 45 ALA N N 45 125.014 123.010 2.004 1
1 557 . 9 1 1 A 46 46 VAL H H 46 8.358 9.043 -0.685 1
1 558 . 9 1 1 A 46 46 VAL HA H 46 5.659 5.083 0.576 1
1 566 . 9 1 1 A 46 46 VAL C C 46 177.199 174.193 3.006 1
1 567 . 9 1 1 A 46 46 VAL CA C 46 57.919 59.231 -1.312 1
1 568 . 9 1 1 A 46 46 VAL CB C 46 36.362 36.260 0.102 1
1 571 . 9 1 1 A 46 46 VAL N N 46 109.774 116.056 -6.282 1
1 572 . 9 1 1 A 47 47 THR H H 47 8.902 9.165 -0.263 1
1 573 . 9 1 1 A 47 47 THR HA H 47 5.462 5.174 0.288 1
1 578 . 9 1 1 A 47 47 THR C C 47 173.405 173.494 -0.089 1
1 579 . 9 1 1 A 47 47 THR CA C 47 60.139 59.834 0.305 1
1 580 . 9 1 1 A 47 47 THR CB C 47 71.233 71.201 0.032 1
1 582 . 9 1 1 A 47 47 THR N N 47 112.758 112.891 -0.133 1
1 583 . 9 1 1 A 48 48 PHE H H 48 8.423 8.369 0.054 1
1 584 . 9 1 1 A 48 48 PHE HA H 48 5.099 5.067 0.032 1
1 591 . 9 1 1 A 48 48 PHE C C 48 172.231 172.114 0.117 1
1 592 . 9 1 1 A 48 48 PHE CA C 48 56.390 55.805 0.585 1
1 593 . 9 1 1 A 48 48 PHE CB C 48 41.169 40.957 0.212 1
1 596 . 9 1 1 A 48 48 PHE N N 48 115.866 118.123 -2.257 1
1 597 . 9 1 1 A 49 49 GLU H H 49 8.622 8.153 0.469 1
1 598 . 9 1 1 A 49 49 GLU HA H 49 4.907 4.828 0.079 1
1 603 . 9 1 1 A 49 49 GLU CA C 49 51.497 52.864 -1.367 1
1 604 . 9 1 1 A 49 49 GLU CB C 49 28.890 30.920 -2.030 1
1 606 . 9 1 1 A 49 49 GLU N N 49 117.484 120.405 -2.921 1
1 607 . 9 1 1 A 50 50 PRO HA H 50 4.829 4.984 -0.155 1
1 614 . 9 1 1 A 50 50 PRO C C 50 175.925 175.502 0.423 1
1 615 . 9 1 1 A 50 50 PRO CA C 50 62.593 62.338 0.255 1
1 616 . 9 1 1 A 50 50 PRO CB C 50 32.917 32.522 0.395 1
1 619 . 9 1 1 A 51 51 THR H H 51 7.621 8.918 -1.297 1
1 620 . 9 1 1 A 51 51 THR HA H 51 4.742 4.993 -0.251 1
1 625 . 9 1 1 A 51 51 THR C C 51 172.074 172.639 -0.565 1
1 626 . 9 1 1 A 51 51 THR CA C 51 60.558 60.191 0.367 1
1 627 . 9 1 1 A 51 51 THR CB C 51 68.841 72.052 -3.211 1
1 629 . 9 1 1 A 51 51 THR N N 51 112.909 116.428 -3.519 1
1 630 . 9 1 1 A 52 52 THR H H 52 8.367 8.729 -0.362 1
1 631 . 9 1 1 A 52 52 THR HA H 52 4.975 4.803 0.172 1
1 636 . 9 1 1 A 52 52 THR C C 52 173.047 173.664 -0.617 1
1 637 . 9 1 1 A 52 52 THR CA C 52 60.794 60.771 0.023 1
1 638 . 9 1 1 A 52 52 THR CB C 52 71.210 70.042 1.168 1
1 640 . 9 1 1 A 52 52 THR N N 52 117.260 118.925 -1.665 1
1 641 . 9 1 1 A 53 53 ASN H H 53 8.827 8.981 -0.154 1
1 642 . 9 1 1 A 53 53 ASN HA H 53 4.756 4.928 -0.172 1
1 647 . 9 1 1 A 53 53 ASN CA C 53 53.430 52.485 0.945 1
1 648 . 9 1 1 A 53 53 ASN CB C 53 38.660 39.836 -1.176 1
1 649 . 9 1 1 A 53 53 ASN N N 53 122.737 125.049 -2.312 1
1 651 . 9 1 1 A 54 54 ASN HA H 54 4.420 4.358 0.062 1
1 656 . 9 1 1 A 54 54 ASN C C 54 176.154 177.012 -0.858 1
1 657 . 9 1 1 A 54 54 ASN CA C 54 55.580 57.011 -1.431 1
1 658 . 9 1 1 A 54 54 ASN CB C 54 36.917 38.342 -1.425 1
1 660 . 9 1 1 A 55 55 LYS H H 55 8.190 7.672 0.518 1
1 661 . 9 1 1 A 55 55 LYS HA H 55 4.225 4.294 -0.069 1
1 670 . 9 1 1 A 55 55 LYS C C 55 176.154 176.367 -0.213 1
1 671 . 9 1 1 A 55 55 LYS CA C 55 55.113 57.702 -2.589 1
1 672 . 9 1 1 A 55 55 LYS CB C 55 31.703 33.950 -2.247 1
1 676 . 9 1 1 A 55 55 LYS N N 55 117.935 119.043 -1.108 1
1 677 . 9 1 1 A 56 56 GLY H H 56 7.966 7.700 0.266 1
1 678 . 9 1 1 A 56 56 GLY HA2 H 56 4.496 4.093 0.403 1
1 679 . 9 1 1 A 56 56 GLY HA3 H 56 3.794 4.102 -0.308 1
1 680 . 9 1 1 A 56 56 GLY C C 56 173.262 172.626 0.636 1
1 681 . 9 1 1 A 56 56 GLY CA C 56 44.177 45.163 -0.986 1
1 682 . 9 1 1 A 56 56 GLY N N 56 108.898 105.905 2.993 1
1 683 . 9 1 1 A 57 57 LEU H H 57 8.716 8.609 0.107 1
1 684 . 9 1 1 A 57 57 LEU HA H 57 4.442 4.718 -0.276 1
1 694 . 9 1 1 A 57 57 LEU C C 57 178.488 175.704 2.784 1
1 695 . 9 1 1 A 57 57 LEU CA C 57 56.424 54.922 1.502 1
1 696 . 9 1 1 A 57 57 LEU CB C 57 42.582 42.498 0.084 1
1 700 . 9 1 1 A 57 57 LEU N N 57 122.286 123.782 -1.496 1
1 701 . 9 1 1 A 58 58 SER H H 58 9.033 8.547 0.486 1
1 702 . 9 1 1 A 58 58 SER HA H 58 5.696 4.908 0.788 1
1 705 . 9 1 1 A 58 58 SER C C 58 173.820 172.208 1.612 1
1 706 . 9 1 1 A 58 58 SER CA C 58 56.715 56.991 -0.276 1
1 707 . 9 1 1 A 58 58 SER CB C 58 65.779 66.754 -0.975 1
1 708 . 9 1 1 A 58 58 SER N N 58 117.913 116.841 1.072 1
1 709 . 9 1 1 A 59 59 ALA H H 59 8.775 8.178 0.597 1
1 710 . 9 1 1 A 59 59 ALA HA H 59 5.409 5.257 0.152 1
1 714 . 9 1 1 A 59 59 ALA C C 59 174.966 175.599 -0.633 1
1 715 . 9 1 1 A 59 59 ALA CA C 59 50.783 50.234 0.549 1
1 716 . 9 1 1 A 59 59 ALA CB C 59 23.985 23.282 0.703 1
1 717 . 9 1 1 A 59 59 ALA N N 59 125.556 122.129 3.427 1
1 718 . 9 1 1 A 60 60 TYR H H 60 9.347 8.361 0.986 1
1 719 . 9 1 1 A 60 60 TYR HA H 60 5.030 5.182 -0.152 1
1 726 . 9 1 1 A 60 60 TYR C C 60 171.673 174.368 -2.695 1
1 727 . 9 1 1 A 60 60 TYR CA C 60 55.484 55.713 -0.229 1
1 728 . 9 1 1 A 60 60 TYR CB C 60 39.502 41.716 -2.214 1
1 731 . 9 1 1 A 60 60 TYR N N 60 118.946 115.982 2.964 1
1 732 . 9 1 1 A 61 61 ALA H H 61 9.176 8.625 0.551 1
1 733 . 9 1 1 A 61 61 ALA HA H 61 4.116 3.922 0.194 1
1 737 . 9 1 1 A 61 61 ALA C C 61 175.825 176.614 -0.789 1
1 738 . 9 1 1 A 61 61 ALA CA C 61 52.809 52.919 -0.110 1
1 739 . 9 1 1 A 61 61 ALA CB C 61 16.597 17.475 -0.878 1
1 740 . 9 1 1 A 61 61 ALA N N 61 124.113 120.730 3.383 1
1 741 . 9 1 1 A 62 62 VAL H H 62 7.968 7.881 0.087 1
1 742 . 9 1 1 A 62 62 VAL HA H 62 4.300 4.270 0.030 1
1 750 . 9 1 1 A 62 62 VAL C C 62 175.395 175.424 -0.029 1
1 751 . 9 1 1 A 62 62 VAL CA C 62 62.252 62.648 -0.396 1
1 752 . 9 1 1 A 62 62 VAL CB C 62 31.435 31.909 -0.474 1
1 755 . 9 1 1 A 62 62 VAL N N 62 116.561 118.387 -1.826 1
1 756 . 9 1 1 A 63 63 LYS H H 63 9.208 9.162 0.046 1
1 757 . 9 1 1 A 63 63 LYS HA H 63 4.633 4.697 -0.064 1
1 766 . 9 1 1 A 63 63 LYS C C 63 175.238 175.995 -0.757 1
1 767 . 9 1 1 A 63 63 LYS CA C 63 54.729 55.538 -0.809 1
1 768 . 9 1 1 A 63 63 LYS CB C 63 34.859 33.351 1.508 1
1 772 . 9 1 1 A 63 63 LYS N N 63 128.892 127.878 1.014 1
1 773 . 9 1 1 A 64 64 VAL H H 64 9.588 8.475 1.113 1
1 774 . 9 1 1 A 64 64 VAL HA H 64 4.345 4.159 0.186 1
1 782 . 9 1 1 A 64 64 VAL C C 64 176.856 175.639 1.217 1
1 783 . 9 1 1 A 64 64 VAL CA C 64 62.563 62.623 -0.060 1
1 784 . 9 1 1 A 64 64 VAL CB C 64 30.916 32.036 -1.120 1
1 787 . 9 1 1 A 64 64 VAL N N 64 126.595 124.964 1.631 1
1 788 . 9 1 1 A 65 65 VAL H H 65 8.597 8.378 0.219 1
1 789 . 9 1 1 A 65 65 VAL HA H 65 4.370 4.509 -0.139 1
1 797 . 9 1 1 A 65 65 VAL CA C 65 62.480 59.369 3.111 1
1 798 . 9 1 1 A 65 65 VAL CB C 65 32.436 32.004 0.432 1
1 801 . 9 1 1 A 65 65 VAL N N 65 127.945 127.014 0.931 1
1 802 . 9 1 1 A 66 66 PRO HA H 66 4.385 4.589 -0.204 1
1 809 . 9 1 1 A 66 66 PRO C C 66 176.627 177.318 -0.691 1
1 810 . 9 1 1 A 66 66 PRO CA C 66 62.511 62.723 -0.212 1
1 811 . 9 1 1 A 66 66 PRO CB C 66 31.875 31.845 0.030 1
1 814 . 9 1 1 A 67 67 LEU H H 67 8.236 8.804 -0.568 1
1 815 . 9 1 1 A 67 67 LEU HA H 67 4.181 4.206 -0.025 1
1 825 . 9 1 1 A 67 67 LEU C C 67 177.357 176.962 0.395 1
1 826 . 9 1 1 A 67 67 LEU CA C 67 55.352 56.526 -1.174 1
1 827 . 9 1 1 A 67 67 LEU CB C 67 42.355 42.681 -0.326 1
1 831 . 9 1 1 A 67 67 LEU N N 67 122.691 119.962 2.729 1
1 832 . 9 1 1 A 68 68 GLU H H 68 8.432 7.742 0.690 1
1 833 . 9 1 1 A 68 68 GLU HA H 68 4.184 4.950 -0.766 1
1 838 . 9 1 1 A 68 68 GLU C C 68 176.054 174.581 1.473 1
1 839 . 9 1 1 A 68 68 GLU CA C 68 56.250 55.296 0.954 1
1 840 . 9 1 1 A 68 68 GLU CB C 68 30.077 33.050 -2.973 1
1 842 . 9 1 1 A 68 68 GLU N N 68 121.298 118.828 2.470 1
1 843 . 9 1 1 A 69 69 HIS H H 69 8.303 9.042 -0.739 1
1 844 . 9 1 1 A 69 69 HIS HA H 69 4.517 4.962 -0.445 1
1 849 . 9 1 1 A 69 69 HIS C C 69 173.863 175.359 -1.496 1
1 850 . 9 1 1 A 69 69 HIS CA C 69 55.663 55.521 0.142 1
1 851 . 9 1 1 A 69 69 HIS CB C 69 29.904 30.701 -0.797 1
1 1 . 10 1 1 A 2 2 ALA HA H 2 3.908 4.415 -0.507 1
1 5 . 10 1 1 A 2 2 ALA C C 2 174.665 177.200 -2.535 1
1 6 . 10 1 1 A 2 2 ALA CA C 2 51.696 52.451 -0.755 1
1 7 . 10 1 1 A 2 2 ALA CB C 2 19.380 19.177 0.203 1
1 8 . 10 1 1 A 3 3 MET H H 3 8.516 8.359 0.157 1
1 9 . 10 1 1 A 3 3 MET HA H 3 4.349 5.056 -0.707 1
1 17 . 10 1 1 A 3 3 MET C C 3 173.119 174.171 -1.052 1
1 18 . 10 1 1 A 3 3 MET CA C 3 54.457 53.819 0.638 1
1 19 . 10 1 1 A 3 3 MET CB C 3 37.020 36.065 0.955 1
1 22 . 10 1 1 A 3 3 MET N N 3 118.958 122.098 -3.140 1
1 23 . 10 1 1 A 4 4 ASN H H 4 8.627 8.612 0.015 1
1 24 . 10 1 1 A 4 4 ASN HA H 4 5.470 5.487 -0.017 1
1 29 . 10 1 1 A 4 4 ASN C C 4 175.782 174.841 0.941 1
1 30 . 10 1 1 A 4 4 ASN CA C 4 52.043 51.914 0.129 1
1 31 . 10 1 1 A 4 4 ASN CB C 4 41.102 39.854 1.248 1
1 32 . 10 1 1 A 4 4 ASN N N 4 116.608 117.368 -0.760 1
1 34 . 10 1 1 A 5 5 GLY H H 5 8.444 8.810 -0.366 1
1 35 . 10 1 1 A 5 5 GLY HA2 H 5 4.652 4.431 0.221 1
1 36 . 10 1 1 A 5 5 GLY HA3 H 5 3.710 4.657 -0.947 1
1 37 . 10 1 1 A 5 5 GLY C C 5 171.487 171.616 -0.129 1
1 38 . 10 1 1 A 5 5 GLY CA C 5 46.682 44.173 2.509 1
1 39 . 10 1 1 A 5 5 GLY N N 5 104.747 109.834 -5.087 1
1 40 . 10 1 1 A 6 6 THR H H 6 8.303 9.520 -1.217 1
1 41 . 10 1 1 A 6 6 THR HA H 6 5.193 4.917 0.276 1
1 46 . 10 1 1 A 6 6 THR C C 6 173.634 174.274 -0.640 1
1 47 . 10 1 1 A 6 6 THR CA C 6 60.367 61.966 -1.599 1
1 48 . 10 1 1 A 6 6 THR CB C 6 72.071 70.215 1.856 1
1 50 . 10 1 1 A 6 6 THR N N 6 114.893 117.343 -2.450 1
1 51 . 10 1 1 A 7 7 ILE H H 7 8.887 8.908 -0.021 1
1 52 . 10 1 1 A 7 7 ILE HA H 7 4.189 4.036 0.153 1
1 62 . 10 1 1 A 7 7 ILE C C 7 175.782 176.843 -1.061 1
1 63 . 10 1 1 A 7 7 ILE CA C 7 62.394 61.498 0.896 1
1 64 . 10 1 1 A 7 7 ILE CB C 7 37.461 36.749 0.712 1
1 68 . 10 1 1 A 7 7 ILE N N 7 125.014 126.986 -1.972 1
1 69 . 10 1 1 A 8 8 THR H H 8 8.968 8.776 0.192 1
1 70 . 10 1 1 A 8 8 THR HA H 8 4.583 4.542 0.041 1
1 75 . 10 1 1 A 8 8 THR C C 8 175.352 174.690 0.662 1
1 76 . 10 1 1 A 8 8 THR CA C 8 62.547 62.445 0.102 1
1 77 . 10 1 1 A 8 8 THR CB C 8 69.324 69.645 -0.321 1
1 79 . 10 1 1 A 8 8 THR N N 8 123.264 119.491 3.773 1
1 80 . 10 1 1 A 9 9 THR H H 9 7.744 7.694 0.050 1
1 81 . 10 1 1 A 9 9 THR HA H 9 4.408 5.177 -0.769 1
1 86 . 10 1 1 A 9 9 THR C C 9 171.759 172.890 -1.131 1
1 87 . 10 1 1 A 9 9 THR CA C 9 61.370 61.829 -0.459 1
1 88 . 10 1 1 A 9 9 THR CB C 9 72.472 71.603 0.869 1
1 90 . 10 1 1 A 9 9 THR N N 9 116.608 115.140 1.468 1
1 91 . 10 1 1 A 10 10 TRP H H 10 8.620 8.443 0.177 1
1 92 . 10 1 1 A 10 10 TRP HA H 10 4.844 5.025 -0.181 1
1 101 . 10 1 1 A 10 10 TRP C C 10 172.833 173.784 -0.951 1
1 102 . 10 1 1 A 10 10 TRP CA C 10 55.471 56.692 -1.221 1
1 103 . 10 1 1 A 10 10 TRP CB C 10 32.843 32.678 0.165 1
1 109 . 10 1 1 A 10 10 TRP N N 10 126.095 127.415 -1.320 1
1 111 . 10 1 1 A 11 11 PHE H H 11 7.892 8.424 -0.532 1
1 112 . 10 1 1 A 11 11 PHE HA H 11 4.508 4.496 0.012 1
1 120 . 10 1 1 A 11 11 PHE C C 11 174.493 175.046 -0.553 1
1 121 . 10 1 1 A 11 11 PHE CA C 11 54.001 55.391 -1.390 1
1 122 . 10 1 1 A 11 11 PHE CB C 11 36.906 38.639 -1.733 1
1 126 . 10 1 1 A 11 11 PHE N N 11 127.953 125.718 2.235 1
1 127 . 10 1 1 A 12 12 LYS H H 12 7.844 7.493 0.351 1
1 128 . 10 1 1 A 12 12 LYS HA H 12 2.844 3.021 -0.177 1
1 137 . 10 1 1 A 12 12 LYS C C 12 177.701 177.195 0.506 1
1 138 . 10 1 1 A 12 12 LYS CA C 12 59.164 59.617 -0.453 1
1 139 . 10 1 1 A 12 12 LYS CB C 12 32.427 31.975 0.452 1
1 143 . 10 1 1 A 12 12 LYS N N 12 125.042 124.394 0.648 1
1 144 . 10 1 1 A 13 13 ASP H H 13 8.638 7.848 0.790 1
1 145 . 10 1 1 A 13 13 ASP HA H 13 4.281 4.322 -0.041 1
1 148 . 10 1 1 A 13 13 ASP C C 13 176.827 177.714 -0.887 1
1 149 . 10 1 1 A 13 13 ASP CA C 13 55.401 57.160 -1.759 1
1 150 . 10 1 1 A 13 13 ASP CB C 13 39.349 41.200 -1.851 1
1 151 . 10 1 1 A 13 13 ASP N N 13 114.668 119.186 -4.518 1
1 152 . 10 1 1 A 14 14 LYS H H 14 6.965 7.473 -0.508 1
1 153 . 10 1 1 A 14 14 LYS HA H 14 4.425 4.283 0.142 1
1 162 . 10 1 1 A 14 14 LYS C C 14 176.913 176.969 -0.056 1
1 163 . 10 1 1 A 14 14 LYS CA C 14 55.288 55.934 -0.646 1
1 164 . 10 1 1 A 14 14 LYS CB C 14 34.562 33.012 1.550 1
1 168 . 10 1 1 A 14 14 LYS N N 14 116.507 116.184 0.323 1
1 169 . 10 1 1 A 15 15 GLY H H 15 7.619 8.671 -1.052 1
1 170 . 10 1 1 A 15 15 GLY HA2 H 15 3.875 3.643 0.232 1
1 171 . 10 1 1 A 15 15 GLY HA3 H 15 3.499 3.735 -0.236 1
1 172 . 10 1 1 A 15 15 GLY C C 15 171.358 173.261 -1.903 1
1 173 . 10 1 1 A 15 15 GLY CA C 15 46.020 45.075 0.945 1
1 174 . 10 1 1 A 15 15 GLY N N 15 107.093 107.225 -0.132 1
1 175 . 10 1 1 A 16 16 PHE H H 16 6.663 6.644 0.019 1
1 176 . 10 1 1 A 16 16 PHE HA H 16 4.866 5.011 -0.145 1
1 183 . 10 1 1 A 16 16 PHE C C 16 171.472 173.433 -1.961 1
1 184 . 10 1 1 A 16 16 PHE CA C 16 54.765 55.119 -0.354 1
1 185 . 10 1 1 A 16 16 PHE CB C 16 41.805 42.226 -0.421 1
1 188 . 10 1 1 A 16 16 PHE N N 16 112.369 114.566 -2.197 1
1 189 . 10 1 1 A 17 17 GLY H H 17 7.436 8.381 -0.945 1
1 190 . 10 1 1 A 17 17 GLY HA2 H 17 3.951 4.374 -0.423 1
1 191 . 10 1 1 A 17 17 GLY HA3 H 17 3.399 4.656 -1.257 1
1 192 . 10 1 1 A 17 17 GLY C C 17 169.926 171.496 -1.570 1
1 193 . 10 1 1 A 17 17 GLY CA C 17 45.073 45.980 -0.907 1
1 194 . 10 1 1 A 17 17 GLY N N 17 105.719 106.547 -0.828 1
1 195 . 10 1 1 A 18 18 PHE H H 18 8.505 9.275 -0.770 1
1 196 . 10 1 1 A 18 18 PHE HA H 18 5.728 5.708 0.020 1
1 204 . 10 1 1 A 18 18 PHE C C 18 175.023 175.084 -0.061 1
1 205 . 10 1 1 A 18 18 PHE CA C 18 56.493 56.226 0.267 1
1 206 . 10 1 1 A 18 18 PHE CB C 18 43.783 42.999 0.784 1
1 210 . 10 1 1 A 18 18 PHE N N 18 113.767 118.537 -4.770 1
1 211 . 10 1 1 A 19 19 ILE H H 19 9.615 8.817 0.798 1
1 212 . 10 1 1 A 19 19 ILE HA H 19 4.679 4.756 -0.077 1
1 222 . 10 1 1 A 19 19 ILE C C 19 174.894 174.298 0.596 1
1 223 . 10 1 1 A 19 19 ILE CA C 19 58.585 59.957 -1.372 1
1 224 . 10 1 1 A 19 19 ILE CB C 19 43.854 41.862 1.992 1
1 228 . 10 1 1 A 19 19 ILE N N 19 122.746 122.934 -0.188 1
1 229 . 10 1 1 A 20 20 LYS H H 20 8.971 9.023 -0.052 1
1 230 . 10 1 1 A 20 20 LYS HA H 20 5.241 5.250 -0.009 1
1 239 . 10 1 1 A 20 20 LYS C C 20 177.413 175.745 1.668 1
1 240 . 10 1 1 A 20 20 LYS CA C 20 54.622 54.781 -0.159 1
1 241 . 10 1 1 A 20 20 LYS CB C 20 33.070 34.737 -1.667 1
1 245 . 10 1 1 A 20 20 LYS N N 20 127.450 128.529 -1.079 1
1 246 . 10 1 1 A 21 21 ASP H H 21 9.363 8.567 0.796 1
1 247 . 10 1 1 A 21 21 ASP HA H 21 5.241 5.149 0.092 1
1 250 . 10 1 1 A 21 21 ASP C C 21 178.431 176.953 1.478 1
1 251 . 10 1 1 A 21 21 ASP CA C 21 52.981 52.305 0.676 1
1 252 . 10 1 1 A 21 21 ASP CB C 21 44.583 42.151 2.432 1
1 253 . 10 1 1 A 21 21 ASP N N 21 129.797 126.071 3.726 1
1 254 . 10 1 1 A 22 22 GLU H H 22 8.127 8.517 -0.390 1
1 255 . 10 1 1 A 22 22 GLU HA H 22 4.264 4.416 -0.152 1
1 260 . 10 1 1 A 22 22 GLU C C 22 176.226 176.952 -0.726 1
1 261 . 10 1 1 A 22 22 GLU CA C 22 57.515 57.053 0.462 1
1 262 . 10 1 1 A 22 22 GLU CB C 22 29.830 29.703 0.127 1
1 264 . 10 1 1 A 22 22 GLU N N 22 115.545 118.050 -2.505 1
1 265 . 10 1 1 A 23 23 ASN H H 23 8.606 8.352 0.254 1
1 266 . 10 1 1 A 23 23 ASN HA H 23 4.963 4.936 0.027 1
1 271 . 10 1 1 A 23 23 ASN C C 23 175.582 176.960 -1.378 1
1 272 . 10 1 1 A 23 23 ASN CA C 23 52.968 54.770 -1.802 1
1 273 . 10 1 1 A 23 23 ASN CB C 23 39.172 40.096 -0.924 1
1 274 . 10 1 1 A 23 23 ASN N N 23 118.707 117.951 0.756 1
1 276 . 10 1 1 A 24 24 GLY H H 24 8.451 8.841 -0.390 1
1 277 . 10 1 1 A 24 24 GLY HA2 H 24 4.323 3.908 0.415 1
1 278 . 10 1 1 A 24 24 GLY HA3 H 24 3.484 3.936 -0.452 1
1 279 . 10 1 1 A 24 24 GLY C C 24 174.121 173.940 0.181 1
1 280 . 10 1 1 A 24 24 GLY CA C 24 44.816 46.315 -1.499 1
1 281 . 10 1 1 A 24 24 GLY N N 24 108.999 107.642 1.357 1
1 282 . 10 1 1 A 25 25 ASP H H 25 8.326 7.375 0.951 1
1 283 . 10 1 1 A 25 25 ASP HA H 25 4.792 4.935 -0.143 1
1 286 . 10 1 1 A 25 25 ASP C C 25 173.047 173.821 -0.774 1
1 287 . 10 1 1 A 25 25 ASP CA C 25 54.677 53.054 1.623 1
1 288 . 10 1 1 A 25 25 ASP CB C 25 41.577 43.681 -2.104 1
1 289 . 10 1 1 A 25 25 ASP N N 25 121.814 118.159 3.655 1
1 290 . 10 1 1 A 26 26 ASN H H 26 8.503 8.632 -0.129 1
1 291 . 10 1 1 A 26 26 ASN HA H 26 5.607 5.272 0.335 1
1 296 . 10 1 1 A 26 26 ASN C C 26 175.496 174.560 0.936 1
1 297 . 10 1 1 A 26 26 ASN CA C 26 52.290 53.328 -1.038 1
1 298 . 10 1 1 A 26 26 ASN CB C 26 40.017 39.937 0.080 1
1 299 . 10 1 1 A 26 26 ASN N N 26 119.224 118.901 0.323 1
1 301 . 10 1 1 A 27 27 ARG H H 27 9.884 9.459 0.425 1
1 302 . 10 1 1 A 27 27 ARG HA H 27 4.720 5.014 -0.294 1
1 309 . 10 1 1 A 27 27 ARG C C 27 174.665 175.138 -0.473 1
1 310 . 10 1 1 A 27 27 ARG CA C 27 54.314 54.354 -0.040 1
1 311 . 10 1 1 A 27 27 ARG CB C 27 33.562 33.081 0.481 1
1 314 . 10 1 1 A 27 27 ARG N N 27 122.242 125.811 -3.569 1
1 315 . 10 1 1 A 28 28 TYR H H 28 8.314 9.460 -1.146 1
1 316 . 10 1 1 A 28 28 TYR HA H 28 4.365 4.805 -0.440 1
1 323 . 10 1 1 A 28 28 TYR C C 28 174.765 174.422 0.343 1
1 324 . 10 1 1 A 28 28 TYR CA C 28 58.102 58.212 -0.110 1
1 325 . 10 1 1 A 28 28 TYR CB C 28 39.606 39.205 0.401 1
1 328 . 10 1 1 A 28 28 TYR N N 28 126.908 124.074 2.834 1
1 329 . 10 1 1 A 29 29 PHE H H 29 7.873 9.308 -1.435 1
1 330 . 10 1 1 A 29 29 PHE HA H 29 5.159 5.051 0.108 1
1 338 . 10 1 1 A 29 29 PHE C C 29 169.840 174.507 -4.667 1
1 339 . 10 1 1 A 29 29 PHE CA C 29 56.025 56.576 -0.551 1
1 340 . 10 1 1 A 29 29 PHE CB C 29 42.454 42.002 0.452 1
1 344 . 10 1 1 A 29 29 PHE N N 29 124.137 126.162 -2.025 1
1 345 . 10 1 1 A 30 30 HIS H H 30 8.255 8.678 -0.423 1
1 346 . 10 1 1 A 30 30 HIS HA H 30 4.819 5.349 -0.530 1
1 351 . 10 1 1 A 30 30 HIS C C 30 176.598 175.044 1.554 1
1 352 . 10 1 1 A 30 30 HIS CA C 30 55.040 55.930 -0.890 1
1 353 . 10 1 1 A 30 30 HIS CB C 30 35.066 33.515 1.551 1
1 356 . 10 1 1 A 30 30 HIS N N 30 119.922 121.051 -1.129 1
1 357 . 10 1 1 A 31 31 VAL H H 31 8.390 8.885 -0.495 1
1 358 . 10 1 1 A 31 31 VAL HA H 31 3.911 4.033 -0.122 1
1 366 . 10 1 1 A 31 31 VAL C C 31 176.713 176.796 -0.083 1
1 367 . 10 1 1 A 31 31 VAL CA C 31 65.423 64.410 1.013 1
1 368 . 10 1 1 A 31 31 VAL CB C 31 32.354 31.832 0.522 1
1 371 . 10 1 1 A 31 31 VAL N N 31 126.977 124.377 2.600 1
1 372 . 10 1 1 A 32 32 ILE H H 32 10.207 7.525 2.682 1
1 373 . 10 1 1 A 32 32 ILE HA H 32 4.397 4.057 0.340 1
1 383 . 10 1 1 A 32 32 ILE C C 32 177.414 177.321 0.093 1
1 384 . 10 1 1 A 32 32 ILE CA C 32 63.601 62.827 0.774 1
1 385 . 10 1 1 A 32 32 ILE CB C 32 38.023 38.054 -0.031 1
1 389 . 10 1 1 A 32 32 ILE N N 32 123.360 120.619 2.741 1
1 390 . 10 1 1 A 33 33 LYS H H 33 8.435 7.750 0.685 1
1 391 . 10 1 1 A 33 33 LYS HA H 33 4.734 4.530 0.204 1
1 400 . 10 1 1 A 33 33 LYS C C 33 175.037 175.875 -0.838 1
1 401 . 10 1 1 A 33 33 LYS CA C 33 54.046 56.161 -2.115 1
1 402 . 10 1 1 A 33 33 LYS CB C 33 31.743 33.560 -1.817 1
1 406 . 10 1 1 A 33 33 LYS N N 33 118.502 119.271 -0.769 1
1 407 . 10 1 1 A 34 34 VAL H H 34 7.750 7.867 -0.117 1
1 408 . 10 1 1 A 34 34 VAL HA H 34 4.672 4.344 0.328 1
1 416 . 10 1 1 A 34 34 VAL C C 34 175.911 175.399 0.512 1
1 417 . 10 1 1 A 34 34 VAL CA C 34 60.255 61.443 -1.188 1
1 418 . 10 1 1 A 34 34 VAL CB C 34 32.064 33.555 -1.491 1
1 421 . 10 1 1 A 34 34 VAL N N 34 120.487 120.793 -0.306 1
1 422 . 10 1 1 A 35 35 ALA H H 35 9.109 8.859 0.250 1
1 423 . 10 1 1 A 35 35 ALA HA H 35 4.143 4.396 -0.253 1
1 427 . 10 1 1 A 35 35 ALA C C 35 177.887 177.699 0.188 1
1 428 . 10 1 1 A 35 35 ALA CA C 35 54.562 53.744 0.818 1
1 429 . 10 1 1 A 35 35 ALA CB C 35 18.880 19.946 -1.066 1
1 430 . 10 1 1 A 35 35 ALA N N 35 129.552 127.475 2.077 1
1 431 . 10 1 1 A 36 36 ASN H H 36 8.169 8.059 0.110 1
1 432 . 10 1 1 A 36 36 ASN HA H 36 5.108 5.076 0.032 1
1 437 . 10 1 1 A 36 36 ASN CA C 36 50.333 50.716 -0.383 1
1 438 . 10 1 1 A 36 36 ASN CB C 36 35.521 38.458 -2.937 1
1 439 . 10 1 1 A 36 36 ASN N N 36 112.302 115.166 -2.864 1
1 441 . 10 1 1 A 37 37 PRO HA H 37 3.891 4.399 -0.508 1
1 448 . 10 1 1 A 37 37 PRO C C 37 177.715 177.225 0.490 1
1 449 . 10 1 1 A 37 37 PRO CA C 37 64.104 64.279 -0.175 1
1 450 . 10 1 1 A 37 37 PRO CB C 37 32.380 31.928 0.452 1
1 453 . 10 1 1 A 38 38 ASP H H 38 8.843 8.497 0.346 1
1 454 . 10 1 1 A 38 38 ASP HA H 38 4.350 4.651 -0.301 1
1 457 . 10 1 1 A 38 38 ASP C C 38 176.942 176.956 -0.014 1
1 458 . 10 1 1 A 38 38 ASP CA C 38 56.035 54.770 1.265 1
1 459 . 10 1 1 A 38 38 ASP CB C 38 39.249 40.893 -1.644 1
1 460 . 10 1 1 A 38 38 ASP N N 38 118.913 117.368 1.545 1
1 461 . 10 1 1 A 39 39 LEU H H 39 7.548 7.174 0.374 1
1 462 . 10 1 1 A 39 39 LEU HA H 39 4.268 4.323 -0.055 1
1 472 . 10 1 1 A 39 39 LEU C C 39 176.727 176.487 0.240 1
1 473 . 10 1 1 A 39 39 LEU CA C 39 54.091 54.178 -0.087 1
1 474 . 10 1 1 A 39 39 LEU CB C 39 41.404 41.767 -0.363 1
1 478 . 10 1 1 A 39 39 LEU N N 39 117.047 116.463 0.584 1
1 479 . 10 1 1 A 40 40 ILE H H 40 7.047 6.891 0.156 1
1 480 . 10 1 1 A 40 40 ILE HA H 40 2.710 3.849 -1.139 1
1 490 . 10 1 1 A 40 40 ILE C C 40 174.794 175.090 -0.296 1
1 491 . 10 1 1 A 40 40 ILE CA C 40 64.352 60.569 3.783 1
1 492 . 10 1 1 A 40 40 ILE CB C 40 37.301 36.404 0.897 1
1 496 . 10 1 1 A 40 40 ILE N N 40 118.412 120.890 -2.478 1
1 497 . 10 1 1 A 41 41 LYS H H 41 6.395 8.536 -2.141 1
1 498 . 10 1 1 A 41 41 LYS HA H 41 4.246 4.914 -0.668 1
1 507 . 10 1 1 A 41 41 LYS C C 41 174.422 175.107 -0.685 1
1 508 . 10 1 1 A 41 41 LYS CA C 41 54.521 54.022 0.499 1
1 509 . 10 1 1 A 41 41 LYS CB C 41 35.426 35.294 0.132 1
1 513 . 10 1 1 A 41 41 LYS N N 41 122.843 127.233 -4.390 1
1 514 . 10 1 1 A 42 42 LYS H H 42 8.788 8.571 0.217 1
1 515 . 10 1 1 A 42 42 LYS HA H 42 3.603 3.936 -0.333 1
1 524 . 10 1 1 A 42 42 LYS C C 42 176.169 176.919 -0.750 1
1 525 . 10 1 1 A 42 42 LYS CA C 42 59.038 57.653 1.385 1
1 526 . 10 1 1 A 42 42 LYS CB C 42 31.981 32.592 -0.611 1
1 530 . 10 1 1 A 42 42 LYS N N 42 122.219 122.640 -0.421 1
1 531 . 10 1 1 A 43 43 ASP H H 43 9.183 8.854 0.329 1
1 532 . 10 1 1 A 43 43 ASP HA H 43 4.191 4.193 -0.002 1
1 535 . 10 1 1 A 43 43 ASP C C 43 174.866 174.874 -0.008 1
1 536 . 10 1 1 A 43 43 ASP CA C 43 57.064 55.607 1.457 1
1 537 . 10 1 1 A 43 43 ASP CB C 43 38.724 39.394 -0.670 1
1 538 . 10 1 1 A 43 43 ASP N N 43 119.807 119.902 -0.095 1
1 539 . 10 1 1 A 44 44 ALA H H 44 7.669 7.251 0.418 1
1 540 . 10 1 1 A 44 44 ALA HA H 44 4.273 4.620 -0.347 1
1 544 . 10 1 1 A 44 44 ALA C C 44 176.197 176.091 0.106 1
1 545 . 10 1 1 A 44 44 ALA CA C 44 52.503 50.703 1.800 1
1 546 . 10 1 1 A 44 44 ALA CB C 44 19.511 22.129 -2.618 1
1 547 . 10 1 1 A 44 44 ALA N N 44 121.785 120.769 1.016 1
1 548 . 10 1 1 A 45 45 ALA H H 45 8.522 8.681 -0.159 1
1 549 . 10 1 1 A 45 45 ALA HA H 45 4.820 5.453 -0.633 1
1 553 . 10 1 1 A 45 45 ALA C C 45 177.128 176.743 0.385 1
1 554 . 10 1 1 A 45 45 ALA CA C 45 51.512 50.057 1.455 1
1 555 . 10 1 1 A 45 45 ALA CB C 45 19.306 21.866 -2.560 1
1 556 . 10 1 1 A 45 45 ALA N N 45 125.014 122.272 2.742 1
1 557 . 10 1 1 A 46 46 VAL H H 46 8.358 9.292 -0.934 1
1 558 . 10 1 1 A 46 46 VAL HA H 46 5.659 5.066 0.593 1
1 566 . 10 1 1 A 46 46 VAL C C 46 177.199 174.529 2.670 1
1 567 . 10 1 1 A 46 46 VAL CA C 46 57.919 59.431 -1.512 1
1 568 . 10 1 1 A 46 46 VAL CB C 46 36.362 35.720 0.642 1
1 571 . 10 1 1 A 46 46 VAL N N 46 109.774 115.970 -6.196 1
1 572 . 10 1 1 A 47 47 THR H H 47 8.902 9.244 -0.342 1
1 573 . 10 1 1 A 47 47 THR HA H 47 5.462 5.321 0.141 1
1 578 . 10 1 1 A 47 47 THR C C 47 173.405 173.517 -0.112 1
1 579 . 10 1 1 A 47 47 THR CA C 47 60.139 59.570 0.569 1
1 580 . 10 1 1 A 47 47 THR CB C 47 71.233 71.323 -0.090 1
1 582 . 10 1 1 A 47 47 THR N N 47 112.758 113.012 -0.254 1
1 583 . 10 1 1 A 48 48 PHE H H 48 8.423 8.015 0.408 1
1 584 . 10 1 1 A 48 48 PHE HA H 48 5.099 5.005 0.094 1
1 591 . 10 1 1 A 48 48 PHE C C 48 172.231 172.183 0.048 1
1 592 . 10 1 1 A 48 48 PHE CA C 48 56.390 55.836 0.554 1
1 593 . 10 1 1 A 48 48 PHE CB C 48 41.169 41.007 0.162 1
1 596 . 10 1 1 A 48 48 PHE N N 48 115.866 118.214 -2.348 1
1 597 . 10 1 1 A 49 49 GLU H H 49 8.622 8.493 0.129 1
1 598 . 10 1 1 A 49 49 GLU HA H 49 4.907 4.704 0.203 1
1 603 . 10 1 1 A 49 49 GLU CA C 49 51.497 53.355 -1.858 1
1 604 . 10 1 1 A 49 49 GLU CB C 49 28.890 29.545 -0.655 1
1 606 . 10 1 1 A 49 49 GLU N N 49 117.484 119.995 -2.511 1
1 607 . 10 1 1 A 50 50 PRO HA H 50 4.829 5.074 -0.245 1
1 614 . 10 1 1 A 50 50 PRO C C 50 175.925 175.165 0.760 1
1 615 . 10 1 1 A 50 50 PRO CA C 50 62.593 62.392 0.201 1
1 616 . 10 1 1 A 50 50 PRO CB C 50 32.917 32.105 0.812 1
1 619 . 10 1 1 A 51 51 THR H H 51 7.621 8.816 -1.195 1
1 620 . 10 1 1 A 51 51 THR HA H 51 4.742 4.917 -0.175 1
1 625 . 10 1 1 A 51 51 THR C C 51 172.074 172.145 -0.071 1
1 626 . 10 1 1 A 51 51 THR CA C 51 60.558 59.921 0.637 1
1 627 . 10 1 1 A 51 51 THR CB C 51 68.841 70.328 -1.487 1
1 629 . 10 1 1 A 51 51 THR N N 51 112.909 116.992 -4.083 1
1 630 . 10 1 1 A 52 52 THR H H 52 8.367 8.832 -0.465 1
1 631 . 10 1 1 A 52 52 THR HA H 52 4.975 4.935 0.040 1
1 636 . 10 1 1 A 52 52 THR C C 52 173.047 171.714 1.333 1
1 637 . 10 1 1 A 52 52 THR CA C 52 60.794 59.425 1.369 1
1 638 . 10 1 1 A 52 52 THR CB C 52 71.210 71.046 0.164 1
1 640 . 10 1 1 A 52 52 THR N N 52 117.260 117.128 0.132 1
1 641 . 10 1 1 A 53 53 ASN H H 53 8.827 8.762 0.065 1
1 642 . 10 1 1 A 53 53 ASN HA H 53 4.756 5.112 -0.356 1
1 647 . 10 1 1 A 53 53 ASN CA C 53 53.430 51.954 1.476 1
1 648 . 10 1 1 A 53 53 ASN CB C 53 38.660 42.007 -3.347 1
1 649 . 10 1 1 A 53 53 ASN N N 53 122.737 121.954 0.783 1
1 651 . 10 1 1 A 54 54 ASN HA H 54 4.420 4.525 -0.105 1
1 656 . 10 1 1 A 54 54 ASN C C 54 176.154 175.874 0.280 1
1 657 . 10 1 1 A 54 54 ASN CA C 54 55.580 55.287 0.293 1
1 658 . 10 1 1 A 54 54 ASN CB C 54 36.917 38.761 -1.844 1
1 660 . 10 1 1 A 55 55 LYS H H 55 8.190 7.711 0.479 1
1 661 . 10 1 1 A 55 55 LYS HA H 55 4.225 4.428 -0.203 1
1 670 . 10 1 1 A 55 55 LYS C C 55 176.154 176.066 0.088 1
1 671 . 10 1 1 A 55 55 LYS CA C 55 55.113 55.927 -0.814 1
1 672 . 10 1 1 A 55 55 LYS CB C 55 31.703 33.835 -2.132 1
1 676 . 10 1 1 A 55 55 LYS N N 55 117.935 115.564 2.371 1
1 677 . 10 1 1 A 56 56 GLY H H 56 7.966 7.342 0.624 1
1 678 . 10 1 1 A 56 56 GLY HA2 H 56 4.496 4.122 0.374 1
1 679 . 10 1 1 A 56 56 GLY HA3 H 56 3.794 4.144 -0.350 1
1 680 . 10 1 1 A 56 56 GLY C C 56 173.262 171.616 1.646 1
1 681 . 10 1 1 A 56 56 GLY CA C 56 44.177 45.571 -1.394 1
1 682 . 10 1 1 A 56 56 GLY N N 56 108.898 106.627 2.271 1
1 683 . 10 1 1 A 57 57 LEU H H 57 8.716 8.509 0.207 1
1 684 . 10 1 1 A 57 57 LEU HA H 57 4.442 4.616 -0.174 1
1 694 . 10 1 1 A 57 57 LEU C C 57 178.488 175.243 3.245 1
1 695 . 10 1 1 A 57 57 LEU CA C 57 56.424 54.384 2.040 1
1 696 . 10 1 1 A 57 57 LEU CB C 57 42.582 43.172 -0.590 1
1 700 . 10 1 1 A 57 57 LEU N N 57 122.286 123.308 -1.022 1
1 701 . 10 1 1 A 58 58 SER H H 58 9.033 8.633 0.400 1
1 702 . 10 1 1 A 58 58 SER HA H 58 5.696 4.871 0.825 1
1 705 . 10 1 1 A 58 58 SER C C 58 173.820 172.072 1.748 1
1 706 . 10 1 1 A 58 58 SER CA C 58 56.715 57.813 -1.098 1
1 707 . 10 1 1 A 58 58 SER CB C 58 65.779 67.270 -1.491 1
1 708 . 10 1 1 A 58 58 SER N N 58 117.913 114.907 3.006 1
1 709 . 10 1 1 A 59 59 ALA H H 59 8.775 8.262 0.513 1
1 710 . 10 1 1 A 59 59 ALA HA H 59 5.409 5.308 0.101 1
1 714 . 10 1 1 A 59 59 ALA C C 59 174.966 175.316 -0.350 1
1 715 . 10 1 1 A 59 59 ALA CA C 59 50.783 50.202 0.581 1
1 716 . 10 1 1 A 59 59 ALA CB C 59 23.985 22.948 1.037 1
1 717 . 10 1 1 A 59 59 ALA N N 59 125.556 123.407 2.149 1
1 718 . 10 1 1 A 60 60 TYR H H 60 9.347 8.268 1.079 1
1 719 . 10 1 1 A 60 60 TYR HA H 60 5.030 5.125 -0.095 1
1 726 . 10 1 1 A 60 60 TYR C C 60 171.673 174.086 -2.413 1
1 727 . 10 1 1 A 60 60 TYR CA C 60 55.484 55.800 -0.316 1
1 728 . 10 1 1 A 60 60 TYR CB C 60 39.502 41.117 -1.615 1
1 731 . 10 1 1 A 60 60 TYR N N 60 118.946 116.670 2.276 1
1 732 . 10 1 1 A 61 61 ALA H H 61 9.176 8.627 0.549 1
1 733 . 10 1 1 A 61 61 ALA HA H 61 4.116 3.920 0.196 1
1 737 . 10 1 1 A 61 61 ALA C C 61 175.825 176.693 -0.868 1
1 738 . 10 1 1 A 61 61 ALA CA C 61 52.809 52.948 -0.139 1
1 739 . 10 1 1 A 61 61 ALA CB C 61 16.597 17.440 -0.843 1
1 740 . 10 1 1 A 61 61 ALA N N 61 124.113 120.645 3.468 1
1 741 . 10 1 1 A 62 62 VAL H H 62 7.968 8.015 -0.047 1
1 742 . 10 1 1 A 62 62 VAL HA H 62 4.300 4.241 0.059 1
1 750 . 10 1 1 A 62 62 VAL C C 62 175.395 176.072 -0.677 1
1 751 . 10 1 1 A 62 62 VAL CA C 62 62.252 63.004 -0.752 1
1 752 . 10 1 1 A 62 62 VAL CB C 62 31.435 31.887 -0.452 1
1 755 . 10 1 1 A 62 62 VAL N N 62 116.561 118.291 -1.730 1
1 756 . 10 1 1 A 63 63 LYS H H 63 9.208 9.215 -0.007 1
1 757 . 10 1 1 A 63 63 LYS HA H 63 4.633 5.198 -0.565 1
1 766 . 10 1 1 A 63 63 LYS C C 63 175.238 176.047 -0.809 1
1 767 . 10 1 1 A 63 63 LYS CA C 63 54.729 54.814 -0.085 1
1 768 . 10 1 1 A 63 63 LYS CB C 63 34.859 35.498 -0.639 1
1 772 . 10 1 1 A 63 63 LYS N N 63 128.892 128.043 0.849 1
1 773 . 10 1 1 A 64 64 VAL H H 64 9.588 8.778 0.810 1
1 774 . 10 1 1 A 64 64 VAL HA H 64 4.345 4.185 0.160 1
1 782 . 10 1 1 A 64 64 VAL C C 64 176.856 175.620 1.236 1
1 783 . 10 1 1 A 64 64 VAL CA C 64 62.563 62.935 -0.372 1
1 784 . 10 1 1 A 64 64 VAL CB C 64 30.916 32.194 -1.278 1
1 787 . 10 1 1 A 64 64 VAL N N 64 126.595 123.985 2.610 1
1 788 . 10 1 1 A 65 65 VAL H H 65 8.597 8.346 0.251 1
1 789 . 10 1 1 A 65 65 VAL HA H 65 4.370 4.615 -0.245 1
1 797 . 10 1 1 A 65 65 VAL CA C 65 62.480 59.238 3.242 1
1 798 . 10 1 1 A 65 65 VAL CB C 65 32.436 32.481 -0.045 1
1 801 . 10 1 1 A 65 65 VAL N N 65 127.945 126.356 1.589 1
1 802 . 10 1 1 A 66 66 PRO HA H 66 4.385 4.894 -0.509 1
1 809 . 10 1 1 A 66 66 PRO C C 66 176.627 176.147 0.480 1
1 810 . 10 1 1 A 66 66 PRO CA C 66 62.511 61.905 0.606 1
1 811 . 10 1 1 A 66 66 PRO CB C 66 31.875 32.631 -0.756 1
1 814 . 10 1 1 A 67 67 LEU H H 67 8.236 8.244 -0.008 1
1 815 . 10 1 1 A 67 67 LEU HA H 67 4.181 4.382 -0.201 1
1 825 . 10 1 1 A 67 67 LEU C C 67 177.357 175.758 1.599 1
1 826 . 10 1 1 A 67 67 LEU CA C 67 55.352 54.083 1.269 1
1 827 . 10 1 1 A 67 67 LEU CB C 67 42.355 41.031 1.324 1
1 831 . 10 1 1 A 67 67 LEU N N 67 122.691 117.699 4.992 1
1 832 . 10 1 1 A 68 68 GLU H H 68 8.432 7.555 0.877 1
1 833 . 10 1 1 A 68 68 GLU HA H 68 4.184 4.683 -0.499 1
1 838 . 10 1 1 A 68 68 GLU C C 68 176.054 174.642 1.412 1
1 839 . 10 1 1 A 68 68 GLU CA C 68 56.250 55.493 0.757 1
1 840 . 10 1 1 A 68 68 GLU CB C 68 30.077 32.992 -2.915 1
1 842 . 10 1 1 A 68 68 GLU N N 68 121.298 120.599 0.699 1
1 843 . 10 1 1 A 69 69 HIS H H 69 8.303 8.905 -0.602 1
1 844 . 10 1 1 A 69 69 HIS HA H 69 4.517 5.089 -0.572 1
1 849 . 10 1 1 A 69 69 HIS C C 69 173.863 174.355 -0.492 1
1 850 . 10 1 1 A 69 69 HIS CA C 69 55.663 54.861 0.802 1
1 851 . 10 1 1 A 69 69 HIS CB C 69 29.904 31.130 -1.226 1
1 1 . 11 1 1 A 2 2 ALA HA H 2 3.908 4.465 -0.557 1
1 5 . 11 1 1 A 2 2 ALA C C 2 174.665 177.854 -3.189 1
1 6 . 11 1 1 A 2 2 ALA CA C 2 51.696 53.002 -1.306 1
1 7 . 11 1 1 A 2 2 ALA CB C 2 19.380 19.081 0.299 1
1 8 . 11 1 1 A 3 3 MET H H 3 8.516 8.901 -0.385 1
1 9 . 11 1 1 A 3 3 MET HA H 3 4.349 5.135 -0.786 1
1 17 . 11 1 1 A 3 3 MET C C 3 173.119 174.509 -1.390 1
1 18 . 11 1 1 A 3 3 MET CA C 3 54.457 53.894 0.563 1
1 19 . 11 1 1 A 3 3 MET CB C 3 37.020 36.100 0.920 1
1 22 . 11 1 1 A 3 3 MET N N 3 118.958 121.183 -2.225 1
1 23 . 11 1 1 A 4 4 ASN H H 4 8.627 8.584 0.043 1
1 24 . 11 1 1 A 4 4 ASN HA H 4 5.470 5.630 -0.160 1
1 29 . 11 1 1 A 4 4 ASN C C 4 175.782 174.539 1.243 1
1 30 . 11 1 1 A 4 4 ASN CA C 4 52.043 51.401 0.642 1
1 31 . 11 1 1 A 4 4 ASN CB C 4 41.102 41.665 -0.563 1
1 32 . 11 1 1 A 4 4 ASN N N 4 116.608 115.547 1.061 1
1 34 . 11 1 1 A 5 5 GLY H H 5 8.444 8.496 -0.052 1
1 35 . 11 1 1 A 5 5 GLY HA2 H 5 4.652 4.402 0.250 1
1 36 . 11 1 1 A 5 5 GLY HA3 H 5 3.710 4.592 -0.882 1
1 37 . 11 1 1 A 5 5 GLY C C 5 171.487 171.848 -0.361 1
1 38 . 11 1 1 A 5 5 GLY CA C 5 46.682 45.467 1.215 1
1 39 . 11 1 1 A 5 5 GLY N N 5 104.747 107.677 -2.930 1
1 40 . 11 1 1 A 6 6 THR H H 6 8.303 9.139 -0.836 1
1 41 . 11 1 1 A 6 6 THR HA H 6 5.193 5.314 -0.121 1
1 46 . 11 1 1 A 6 6 THR C C 6 173.634 174.131 -0.497 1
1 47 . 11 1 1 A 6 6 THR CA C 6 60.367 61.328 -0.961 1
1 48 . 11 1 1 A 6 6 THR CB C 6 72.071 71.093 0.978 1
1 50 . 11 1 1 A 6 6 THR N N 6 114.893 114.866 0.027 1
1 51 . 11 1 1 A 7 7 ILE H H 7 8.887 9.146 -0.259 1
1 52 . 11 1 1 A 7 7 ILE HA H 7 4.189 4.092 0.097 1
1 62 . 11 1 1 A 7 7 ILE C C 7 175.782 176.884 -1.102 1
1 63 . 11 1 1 A 7 7 ILE CA C 7 62.394 61.654 0.740 1
1 64 . 11 1 1 A 7 7 ILE CB C 7 37.461 36.602 0.859 1
1 68 . 11 1 1 A 7 7 ILE N N 7 125.014 127.077 -2.063 1
1 69 . 11 1 1 A 8 8 THR H H 8 8.968 8.710 0.258 1
1 70 . 11 1 1 A 8 8 THR HA H 8 4.583 4.566 0.017 1
1 75 . 11 1 1 A 8 8 THR C C 8 175.352 174.958 0.394 1
1 76 . 11 1 1 A 8 8 THR CA C 8 62.547 62.429 0.118 1
1 77 . 11 1 1 A 8 8 THR CB C 8 69.324 69.620 -0.296 1
1 79 . 11 1 1 A 8 8 THR N N 8 123.264 119.491 3.773 1
1 80 . 11 1 1 A 9 9 THR H H 9 7.744 7.686 0.058 1
1 81 . 11 1 1 A 9 9 THR HA H 9 4.408 5.059 -0.651 1
1 86 . 11 1 1 A 9 9 THR C C 9 171.759 172.681 -0.922 1
1 87 . 11 1 1 A 9 9 THR CA C 9 61.370 61.705 -0.335 1
1 88 . 11 1 1 A 9 9 THR CB C 9 72.472 71.466 1.006 1
1 90 . 11 1 1 A 9 9 THR N N 9 116.608 115.503 1.105 1
1 91 . 11 1 1 A 10 10 TRP H H 10 8.620 8.422 0.198 1
1 92 . 11 1 1 A 10 10 TRP HA H 10 4.844 5.138 -0.294 1
1 101 . 11 1 1 A 10 10 TRP C C 10 172.833 173.948 -1.115 1
1 102 . 11 1 1 A 10 10 TRP CA C 10 55.471 56.266 -0.795 1
1 103 . 11 1 1 A 10 10 TRP CB C 10 32.843 33.088 -0.245 1
1 109 . 11 1 1 A 10 10 TRP N N 10 126.095 127.647 -1.552 1
1 111 . 11 1 1 A 11 11 PHE H H 11 7.892 8.533 -0.641 1
1 112 . 11 1 1 A 11 11 PHE HA H 11 4.508 4.637 -0.129 1
1 120 . 11 1 1 A 11 11 PHE C C 11 174.493 175.032 -0.539 1
1 121 . 11 1 1 A 11 11 PHE CA C 11 54.001 55.649 -1.648 1
1 122 . 11 1 1 A 11 11 PHE CB C 11 36.906 39.633 -2.727 1
1 126 . 11 1 1 A 11 11 PHE N N 11 127.953 125.895 2.058 1
1 127 . 11 1 1 A 12 12 LYS H H 12 7.844 7.975 -0.131 1
1 128 . 11 1 1 A 12 12 LYS HA H 12 2.844 3.315 -0.471 1
1 137 . 11 1 1 A 12 12 LYS C C 12 177.701 177.315 0.386 1
1 138 . 11 1 1 A 12 12 LYS CA C 12 59.164 59.617 -0.453 1
1 139 . 11 1 1 A 12 12 LYS CB C 12 32.427 32.133 0.294 1
1 143 . 11 1 1 A 12 12 LYS N N 12 125.042 125.534 -0.492 1
1 144 . 11 1 1 A 13 13 ASP H H 13 8.638 8.205 0.433 1
1 145 . 11 1 1 A 13 13 ASP HA H 13 4.281 4.226 0.055 1
1 148 . 11 1 1 A 13 13 ASP C C 13 176.827 178.453 -1.626 1
1 149 . 11 1 1 A 13 13 ASP CA C 13 55.401 57.552 -2.151 1
1 150 . 11 1 1 A 13 13 ASP CB C 13 39.349 41.423 -2.074 1
1 151 . 11 1 1 A 13 13 ASP N N 13 114.668 119.070 -4.402 1
1 152 . 11 1 1 A 14 14 LYS H H 14 6.965 7.817 -0.852 1
1 153 . 11 1 1 A 14 14 LYS HA H 14 4.425 4.221 0.204 1
1 162 . 11 1 1 A 14 14 LYS C C 14 176.913 176.387 0.526 1
1 163 . 11 1 1 A 14 14 LYS CA C 14 55.288 57.147 -1.859 1
1 164 . 11 1 1 A 14 14 LYS CB C 14 34.562 34.009 0.553 1
1 168 . 11 1 1 A 14 14 LYS N N 14 116.507 117.766 -1.259 1
1 169 . 11 1 1 A 15 15 GLY H H 15 7.619 8.534 -0.915 1
1 170 . 11 1 1 A 15 15 GLY HA2 H 15 3.875 3.643 0.232 1
1 171 . 11 1 1 A 15 15 GLY HA3 H 15 3.499 3.755 -0.256 1
1 172 . 11 1 1 A 15 15 GLY C C 15 171.358 173.301 -1.943 1
1 173 . 11 1 1 A 15 15 GLY CA C 15 46.020 44.874 1.146 1
1 174 . 11 1 1 A 15 15 GLY N N 15 107.093 107.205 -0.112 1
1 175 . 11 1 1 A 16 16 PHE H H 16 6.663 7.340 -0.677 1
1 176 . 11 1 1 A 16 16 PHE HA H 16 4.866 5.081 -0.215 1
1 183 . 11 1 1 A 16 16 PHE C C 16 171.472 175.198 -3.726 1
1 184 . 11 1 1 A 16 16 PHE CA C 16 54.765 55.984 -1.219 1
1 185 . 11 1 1 A 16 16 PHE CB C 16 41.805 43.233 -1.428 1
1 188 . 11 1 1 A 16 16 PHE N N 16 112.369 118.464 -6.095 1
1 189 . 11 1 1 A 17 17 GLY H H 17 7.436 8.028 -0.592 1
1 190 . 11 1 1 A 17 17 GLY HA2 H 17 3.951 4.276 -0.325 1
1 191 . 11 1 1 A 17 17 GLY HA3 H 17 3.399 4.536 -1.137 1
1 192 . 11 1 1 A 17 17 GLY C C 17 169.926 171.340 -1.414 1
1 193 . 11 1 1 A 17 17 GLY CA C 17 45.073 45.662 -0.589 1
1 194 . 11 1 1 A 17 17 GLY N N 17 105.719 108.144 -2.425 1
1 195 . 11 1 1 A 18 18 PHE H H 18 8.505 9.203 -0.698 1
1 196 . 11 1 1 A 18 18 PHE HA H 18 5.728 5.722 0.006 1
1 204 . 11 1 1 A 18 18 PHE C C 18 175.023 175.147 -0.124 1
1 205 . 11 1 1 A 18 18 PHE CA C 18 56.493 56.115 0.378 1
1 206 . 11 1 1 A 18 18 PHE CB C 18 43.783 42.608 1.175 1
1 210 . 11 1 1 A 18 18 PHE N N 18 113.767 118.923 -5.156 1
1 211 . 11 1 1 A 19 19 ILE H H 19 9.615 9.017 0.598 1
1 212 . 11 1 1 A 19 19 ILE HA H 19 4.679 4.819 -0.140 1
1 222 . 11 1 1 A 19 19 ILE C C 19 174.894 174.852 0.042 1
1 223 . 11 1 1 A 19 19 ILE CA C 19 58.585 60.316 -1.731 1
1 224 . 11 1 1 A 19 19 ILE CB C 19 43.854 41.577 2.277 1
1 228 . 11 1 1 A 19 19 ILE N N 19 122.746 123.056 -0.310 1
1 229 . 11 1 1 A 20 20 LYS H H 20 8.971 8.655 0.316 1
1 230 . 11 1 1 A 20 20 LYS HA H 20 5.241 4.908 0.333 1
1 239 . 11 1 1 A 20 20 LYS C C 20 177.413 176.276 1.137 1
1 240 . 11 1 1 A 20 20 LYS CA C 20 54.622 55.801 -1.179 1
1 241 . 11 1 1 A 20 20 LYS CB C 20 33.070 33.544 -0.474 1
1 245 . 11 1 1 A 20 20 LYS N N 20 127.450 127.399 0.051 1
1 246 . 11 1 1 A 21 21 ASP H H 21 9.363 8.619 0.744 1
1 247 . 11 1 1 A 21 21 ASP HA H 21 5.241 5.078 0.163 1
1 250 . 11 1 1 A 21 21 ASP C C 21 178.431 176.900 1.531 1
1 251 . 11 1 1 A 21 21 ASP CA C 21 52.981 52.538 0.443 1
1 252 . 11 1 1 A 21 21 ASP CB C 21 44.583 41.762 2.821 1
1 253 . 11 1 1 A 21 21 ASP N N 21 129.797 124.505 5.292 1
1 254 . 11 1 1 A 22 22 GLU H H 22 8.127 8.671 -0.544 1
1 255 . 11 1 1 A 22 22 GLU HA H 22 4.264 4.573 -0.309 1
1 260 . 11 1 1 A 22 22 GLU C C 22 176.226 176.721 -0.495 1
1 261 . 11 1 1 A 22 22 GLU CA C 22 57.515 56.273 1.242 1
1 262 . 11 1 1 A 22 22 GLU CB C 22 29.830 30.006 -0.176 1
1 264 . 11 1 1 A 22 22 GLU N N 22 115.545 117.880 -2.335 1
1 265 . 11 1 1 A 23 23 ASN H H 23 8.606 8.697 -0.091 1
1 266 . 11 1 1 A 23 23 ASN HA H 23 4.963 5.048 -0.085 1
1 271 . 11 1 1 A 23 23 ASN C C 23 175.582 176.666 -1.084 1
1 272 . 11 1 1 A 23 23 ASN CA C 23 52.968 54.598 -1.630 1
1 273 . 11 1 1 A 23 23 ASN CB C 23 39.172 41.194 -2.022 1
1 274 . 11 1 1 A 23 23 ASN N N 23 118.707 119.494 -0.787 1
1 276 . 11 1 1 A 24 24 GLY H H 24 8.451 8.545 -0.094 1
1 277 . 11 1 1 A 24 24 GLY HA2 H 24 4.323 4.123 0.200 1
1 278 . 11 1 1 A 24 24 GLY HA3 H 24 3.484 4.130 -0.646 1
1 279 . 11 1 1 A 24 24 GLY C C 24 174.121 173.294 0.827 1
1 280 . 11 1 1 A 24 24 GLY CA C 24 44.816 46.058 -1.242 1
1 281 . 11 1 1 A 24 24 GLY N N 24 108.999 106.152 2.847 1
1 282 . 11 1 1 A 25 25 ASP H H 25 8.326 7.807 0.519 1
1 283 . 11 1 1 A 25 25 ASP HA H 25 4.792 4.905 -0.113 1
1 286 . 11 1 1 A 25 25 ASP C C 25 173.047 174.804 -1.757 1
1 287 . 11 1 1 A 25 25 ASP CA C 25 54.677 52.903 1.774 1
1 288 . 11 1 1 A 25 25 ASP CB C 25 41.577 43.605 -2.028 1
1 289 . 11 1 1 A 25 25 ASP N N 25 121.814 117.244 4.570 1
1 290 . 11 1 1 A 26 26 ASN H H 26 8.503 8.745 -0.242 1
1 291 . 11 1 1 A 26 26 ASN HA H 26 5.607 5.464 0.143 1
1 296 . 11 1 1 A 26 26 ASN C C 26 175.496 174.746 0.750 1
1 297 . 11 1 1 A 26 26 ASN CA C 26 52.290 52.544 -0.254 1
1 298 . 11 1 1 A 26 26 ASN CB C 26 40.017 39.954 0.063 1
1 299 . 11 1 1 A 26 26 ASN N N 26 119.224 117.594 1.630 1
1 301 . 11 1 1 A 27 27 ARG H H 27 9.884 8.989 0.895 1
1 302 . 11 1 1 A 27 27 ARG HA H 27 4.720 5.055 -0.335 1
1 309 . 11 1 1 A 27 27 ARG C C 27 174.665 174.394 0.271 1
1 310 . 11 1 1 A 27 27 ARG CA C 27 54.314 54.375 -0.061 1
1 311 . 11 1 1 A 27 27 ARG CB C 27 33.562 33.141 0.421 1
1 314 . 11 1 1 A 27 27 ARG N N 27 122.242 120.915 1.327 1
1 315 . 11 1 1 A 28 28 TYR H H 28 8.314 9.309 -0.995 1
1 316 . 11 1 1 A 28 28 TYR HA H 28 4.365 4.919 -0.554 1
1 323 . 11 1 1 A 28 28 TYR C C 28 174.765 174.160 0.605 1
1 324 . 11 1 1 A 28 28 TYR CA C 28 58.102 57.456 0.646 1
1 325 . 11 1 1 A 28 28 TYR CB C 28 39.606 39.410 0.196 1
1 328 . 11 1 1 A 28 28 TYR N N 28 126.908 124.270 2.638 1
1 329 . 11 1 1 A 29 29 PHE H H 29 7.873 9.154 -1.281 1
1 330 . 11 1 1 A 29 29 PHE HA H 29 5.159 5.121 0.038 1
1 338 . 11 1 1 A 29 29 PHE C C 29 169.840 174.540 -4.700 1
1 339 . 11 1 1 A 29 29 PHE CA C 29 56.025 56.380 -0.355 1
1 340 . 11 1 1 A 29 29 PHE CB C 29 42.454 41.869 0.585 1
1 344 . 11 1 1 A 29 29 PHE N N 29 124.137 126.689 -2.552 1
1 345 . 11 1 1 A 30 30 HIS H H 30 8.255 8.748 -0.493 1
1 346 . 11 1 1 A 30 30 HIS HA H 30 4.819 5.019 -0.200 1
1 351 . 11 1 1 A 30 30 HIS C C 30 176.598 175.322 1.276 1
1 352 . 11 1 1 A 30 30 HIS CA C 30 55.040 55.293 -0.253 1
1 353 . 11 1 1 A 30 30 HIS CB C 30 35.066 32.831 2.235 1
1 356 . 11 1 1 A 30 30 HIS N N 30 119.922 121.928 -2.006 1
1 357 . 11 1 1 A 31 31 VAL H H 31 8.390 9.333 -0.943 1
1 358 . 11 1 1 A 31 31 VAL HA H 31 3.911 3.917 -0.006 1
1 366 . 11 1 1 A 31 31 VAL C C 31 176.713 177.054 -0.341 1
1 367 . 11 1 1 A 31 31 VAL CA C 31 65.423 65.508 -0.085 1
1 368 . 11 1 1 A 31 31 VAL CB C 31 32.354 31.909 0.445 1
1 371 . 11 1 1 A 31 31 VAL N N 31 126.977 125.224 1.753 1
1 372 . 11 1 1 A 32 32 ILE H H 32 10.207 7.808 2.399 1
1 373 . 11 1 1 A 32 32 ILE HA H 32 4.397 3.973 0.424 1
1 383 . 11 1 1 A 32 32 ILE C C 32 177.414 177.229 0.185 1
1 384 . 11 1 1 A 32 32 ILE CA C 32 63.601 62.723 0.878 1
1 385 . 11 1 1 A 32 32 ILE CB C 32 38.023 37.570 0.453 1
1 389 . 11 1 1 A 32 32 ILE N N 32 123.360 120.440 2.920 1
1 390 . 11 1 1 A 33 33 LYS H H 33 8.435 7.723 0.712 1
1 391 . 11 1 1 A 33 33 LYS HA H 33 4.734 4.385 0.349 1
1 400 . 11 1 1 A 33 33 LYS C C 33 175.037 176.255 -1.218 1
1 401 . 11 1 1 A 33 33 LYS CA C 33 54.046 56.353 -2.307 1
1 402 . 11 1 1 A 33 33 LYS CB C 33 31.743 33.265 -1.522 1
1 406 . 11 1 1 A 33 33 LYS N N 33 118.502 119.604 -1.102 1
1 407 . 11 1 1 A 34 34 VAL H H 34 7.750 7.420 0.330 1
1 408 . 11 1 1 A 34 34 VAL HA H 34 4.672 4.243 0.429 1
1 416 . 11 1 1 A 34 34 VAL C C 34 175.911 175.535 0.376 1
1 417 . 11 1 1 A 34 34 VAL CA C 34 60.255 62.141 -1.886 1
1 418 . 11 1 1 A 34 34 VAL CB C 34 32.064 32.917 -0.853 1
1 421 . 11 1 1 A 34 34 VAL N N 34 120.487 120.941 -0.454 1
1 422 . 11 1 1 A 35 35 ALA H H 35 9.109 9.006 0.103 1
1 423 . 11 1 1 A 35 35 ALA HA H 35 4.143 4.348 -0.205 1
1 427 . 11 1 1 A 35 35 ALA C C 35 177.887 177.790 0.097 1
1 428 . 11 1 1 A 35 35 ALA CA C 35 54.562 54.043 0.519 1
1 429 . 11 1 1 A 35 35 ALA CB C 35 18.880 19.673 -0.793 1
1 430 . 11 1 1 A 35 35 ALA N N 35 129.552 127.053 2.499 1
1 431 . 11 1 1 A 36 36 ASN H H 36 8.169 7.511 0.658 1
1 432 . 11 1 1 A 36 36 ASN HA H 36 5.108 5.062 0.046 1
1 437 . 11 1 1 A 36 36 ASN CA C 36 50.333 50.781 -0.448 1
1 438 . 11 1 1 A 36 36 ASN CB C 36 35.521 38.394 -2.873 1
1 439 . 11 1 1 A 36 36 ASN N N 36 112.302 114.262 -1.960 1
1 441 . 11 1 1 A 37 37 PRO HA H 37 3.891 4.342 -0.451 1
1 448 . 11 1 1 A 37 37 PRO C C 37 177.715 177.194 0.521 1
1 449 . 11 1 1 A 37 37 PRO CA C 37 64.104 64.070 0.034 1
1 450 . 11 1 1 A 37 37 PRO CB C 37 32.380 31.958 0.422 1
1 453 . 11 1 1 A 38 38 ASP H H 38 8.843 8.369 0.474 1
1 454 . 11 1 1 A 38 38 ASP HA H 38 4.350 4.687 -0.337 1
1 457 . 11 1 1 A 38 38 ASP C C 38 176.942 177.329 -0.387 1
1 458 . 11 1 1 A 38 38 ASP CA C 38 56.035 55.281 0.754 1
1 459 . 11 1 1 A 38 38 ASP CB C 38 39.249 40.908 -1.659 1
1 460 . 11 1 1 A 38 38 ASP N N 38 118.913 118.497 0.416 1
1 461 . 11 1 1 A 39 39 LEU H H 39 7.548 7.553 -0.005 1
1 462 . 11 1 1 A 39 39 LEU HA H 39 4.268 4.337 -0.069 1
1 472 . 11 1 1 A 39 39 LEU C C 39 176.727 176.900 -0.173 1
1 473 . 11 1 1 A 39 39 LEU CA C 39 54.091 54.258 -0.167 1
1 474 . 11 1 1 A 39 39 LEU CB C 39 41.404 41.415 -0.011 1
1 478 . 11 1 1 A 39 39 LEU N N 39 117.047 116.947 0.100 1
1 479 . 11 1 1 A 40 40 ILE H H 40 7.047 7.203 -0.156 1
1 480 . 11 1 1 A 40 40 ILE HA H 40 2.710 3.684 -0.974 1
1 490 . 11 1 1 A 40 40 ILE C C 40 174.794 175.554 -0.760 1
1 491 . 11 1 1 A 40 40 ILE CA C 40 64.352 61.588 2.764 1
1 492 . 11 1 1 A 40 40 ILE CB C 40 37.301 37.137 0.164 1
1 496 . 11 1 1 A 40 40 ILE N N 40 118.412 121.349 -2.937 1
1 497 . 11 1 1 A 41 41 LYS H H 41 6.395 8.669 -2.274 1
1 498 . 11 1 1 A 41 41 LYS HA H 41 4.246 4.907 -0.661 1
1 507 . 11 1 1 A 41 41 LYS C C 41 174.422 174.739 -0.317 1
1 508 . 11 1 1 A 41 41 LYS CA C 41 54.521 54.072 0.449 1
1 509 . 11 1 1 A 41 41 LYS CB C 41 35.426 35.699 -0.273 1
1 513 . 11 1 1 A 41 41 LYS N N 41 122.843 127.043 -4.200 1
1 514 . 11 1 1 A 42 42 LYS H H 42 8.788 8.558 0.230 1
1 515 . 11 1 1 A 42 42 LYS HA H 42 3.603 4.160 -0.557 1
1 524 . 11 1 1 A 42 42 LYS C C 42 176.169 176.537 -0.368 1
1 525 . 11 1 1 A 42 42 LYS CA C 42 59.038 56.675 2.363 1
1 526 . 11 1 1 A 42 42 LYS CB C 42 31.981 32.851 -0.870 1
1 530 . 11 1 1 A 42 42 LYS N N 42 122.219 122.238 -0.019 1
1 531 . 11 1 1 A 43 43 ASP H H 43 9.183 9.026 0.157 1
1 532 . 11 1 1 A 43 43 ASP HA H 43 4.191 4.195 -0.004 1
1 535 . 11 1 1 A 43 43 ASP C C 43 174.866 174.579 0.287 1
1 536 . 11 1 1 A 43 43 ASP CA C 43 57.064 54.888 2.176 1
1 537 . 11 1 1 A 43 43 ASP CB C 43 38.724 39.490 -0.766 1
1 538 . 11 1 1 A 43 43 ASP N N 43 119.807 125.852 -6.045 1
1 539 . 11 1 1 A 44 44 ALA H H 44 7.669 7.417 0.252 1
1 540 . 11 1 1 A 44 44 ALA HA H 44 4.273 4.957 -0.684 1
1 544 . 11 1 1 A 44 44 ALA C C 44 176.197 175.417 0.780 1
1 545 . 11 1 1 A 44 44 ALA CA C 44 52.503 50.476 2.027 1
1 546 . 11 1 1 A 44 44 ALA CB C 44 19.511 23.821 -4.310 1
1 547 . 11 1 1 A 44 44 ALA N N 44 121.785 118.285 3.500 1
1 548 . 11 1 1 A 45 45 ALA H H 45 8.522 8.479 0.043 1
1 549 . 11 1 1 A 45 45 ALA HA H 45 4.820 5.400 -0.580 1
1 553 . 11 1 1 A 45 45 ALA C C 45 177.128 176.835 0.293 1
1 554 . 11 1 1 A 45 45 ALA CA C 45 51.512 50.314 1.198 1
1 555 . 11 1 1 A 45 45 ALA CB C 45 19.306 21.555 -2.249 1
1 556 . 11 1 1 A 45 45 ALA N N 45 125.014 122.483 2.531 1
1 557 . 11 1 1 A 46 46 VAL H H 46 8.358 9.196 -0.838 1
1 558 . 11 1 1 A 46 46 VAL HA H 46 5.659 5.176 0.483 1
1 566 . 11 1 1 A 46 46 VAL C C 46 177.199 174.332 2.867 1
1 567 . 11 1 1 A 46 46 VAL CA C 46 57.919 59.370 -1.451 1
1 568 . 11 1 1 A 46 46 VAL CB C 46 36.362 35.985 0.377 1
1 571 . 11 1 1 A 46 46 VAL N N 46 109.774 115.884 -6.110 1
1 572 . 11 1 1 A 47 47 THR H H 47 8.902 9.253 -0.351 1
1 573 . 11 1 1 A 47 47 THR HA H 47 5.462 5.381 0.081 1
1 578 . 11 1 1 A 47 47 THR C C 47 173.405 173.460 -0.055 1
1 579 . 11 1 1 A 47 47 THR CA C 47 60.139 59.464 0.675 1
1 580 . 11 1 1 A 47 47 THR CB C 47 71.233 71.409 -0.176 1
1 582 . 11 1 1 A 47 47 THR N N 47 112.758 113.655 -0.897 1
1 583 . 11 1 1 A 48 48 PHE H H 48 8.423 8.635 -0.212 1
1 584 . 11 1 1 A 48 48 PHE HA H 48 5.099 5.143 -0.044 1
1 591 . 11 1 1 A 48 48 PHE C C 48 172.231 172.564 -0.333 1
1 592 . 11 1 1 A 48 48 PHE CA C 48 56.390 55.933 0.457 1
1 593 . 11 1 1 A 48 48 PHE CB C 48 41.169 41.070 0.099 1
1 596 . 11 1 1 A 48 48 PHE N N 48 115.866 117.970 -2.104 1
1 597 . 11 1 1 A 49 49 GLU H H 49 8.622 8.774 -0.152 1
1 598 . 11 1 1 A 49 49 GLU HA H 49 4.907 4.868 0.039 1
1 603 . 11 1 1 A 49 49 GLU CA C 49 51.497 54.228 -2.731 1
1 604 . 11 1 1 A 49 49 GLU CB C 49 28.890 29.598 -0.708 1
1 606 . 11 1 1 A 49 49 GLU N N 49 117.484 120.186 -2.702 1
1 607 . 11 1 1 A 50 50 PRO HA H 50 4.829 5.024 -0.195 1
1 614 . 11 1 1 A 50 50 PRO C C 50 175.925 175.289 0.636 1
1 615 . 11 1 1 A 50 50 PRO CA C 50 62.593 62.451 0.142 1
1 616 . 11 1 1 A 50 50 PRO CB C 50 32.917 31.957 0.960 1
1 619 . 11 1 1 A 51 51 THR H H 51 7.621 8.174 -0.553 1
1 620 . 11 1 1 A 51 51 THR HA H 51 4.742 4.774 -0.032 1
1 625 . 11 1 1 A 51 51 THR C C 51 172.074 171.906 0.168 1
1 626 . 11 1 1 A 51 51 THR CA C 51 60.558 60.555 0.003 1
1 627 . 11 1 1 A 51 51 THR CB C 51 68.841 70.669 -1.828 1
1 629 . 11 1 1 A 51 51 THR N N 51 112.909 116.815 -3.906 1
1 630 . 11 1 1 A 52 52 THR H H 52 8.367 8.688 -0.321 1
1 631 . 11 1 1 A 52 52 THR HA H 52 4.975 4.923 0.052 1
1 636 . 11 1 1 A 52 52 THR C C 52 173.047 173.833 -0.786 1
1 637 . 11 1 1 A 52 52 THR CA C 52 60.794 61.179 -0.385 1
1 638 . 11 1 1 A 52 52 THR CB C 52 71.210 71.743 -0.533 1
1 640 . 11 1 1 A 52 52 THR N N 52 117.260 118.669 -1.409 1
1 641 . 11 1 1 A 53 53 ASN H H 53 8.827 8.402 0.425 1
1 642 . 11 1 1 A 53 53 ASN HA H 53 4.756 4.873 -0.117 1
1 647 . 11 1 1 A 53 53 ASN CA C 53 53.430 54.943 -1.513 1
1 648 . 11 1 1 A 53 53 ASN CB C 53 38.660 38.917 -0.257 1
1 649 . 11 1 1 A 53 53 ASN N N 53 122.737 123.352 -0.615 1
1 651 . 11 1 1 A 54 54 ASN HA H 54 4.420 5.013 -0.593 1
1 656 . 11 1 1 A 54 54 ASN C C 54 176.154 175.447 0.707 1
1 657 . 11 1 1 A 54 54 ASN CA C 54 55.580 54.716 0.864 1
1 658 . 11 1 1 A 54 54 ASN CB C 54 36.917 40.408 -3.491 1
1 660 . 11 1 1 A 55 55 LYS H H 55 8.190 8.626 -0.436 1
1 661 . 11 1 1 A 55 55 LYS HA H 55 4.225 4.318 -0.093 1
1 670 . 11 1 1 A 55 55 LYS C C 55 176.154 175.768 0.386 1
1 671 . 11 1 1 A 55 55 LYS CA C 55 55.113 55.877 -0.764 1
1 672 . 11 1 1 A 55 55 LYS CB C 55 31.703 32.299 -0.596 1
1 676 . 11 1 1 A 55 55 LYS N N 55 117.935 117.624 0.311 1
1 677 . 11 1 1 A 56 56 GLY H H 56 7.966 7.251 0.715 1
1 678 . 11 1 1 A 56 56 GLY HA2 H 56 4.496 4.071 0.425 1
1 679 . 11 1 1 A 56 56 GLY HA3 H 56 3.794 4.072 -0.278 1
1 680 . 11 1 1 A 56 56 GLY C C 56 173.262 172.139 1.123 1
1 681 . 11 1 1 A 56 56 GLY CA C 56 44.177 45.033 -0.856 1
1 682 . 11 1 1 A 56 56 GLY N N 56 108.898 107.599 1.299 1
1 683 . 11 1 1 A 57 57 LEU H H 57 8.716 8.601 0.115 1
1 684 . 11 1 1 A 57 57 LEU HA H 57 4.442 4.401 0.041 1
1 694 . 11 1 1 A 57 57 LEU C C 57 178.488 176.037 2.451 1
1 695 . 11 1 1 A 57 57 LEU CA C 57 56.424 55.099 1.325 1
1 696 . 11 1 1 A 57 57 LEU CB C 57 42.582 42.601 -0.019 1
1 700 . 11 1 1 A 57 57 LEU N N 57 122.286 123.158 -0.872 1
1 701 . 11 1 1 A 58 58 SER H H 58 9.033 8.553 0.480 1
1 702 . 11 1 1 A 58 58 SER HA H 58 5.696 4.881 0.815 1
1 705 . 11 1 1 A 58 58 SER C C 58 173.820 172.453 1.367 1
1 706 . 11 1 1 A 58 58 SER CA C 58 56.715 56.727 -0.012 1
1 707 . 11 1 1 A 58 58 SER CB C 58 65.779 66.614 -0.835 1
1 708 . 11 1 1 A 58 58 SER N N 58 117.913 114.917 2.996 1
1 709 . 11 1 1 A 59 59 ALA H H 59 8.775 7.914 0.861 1
1 710 . 11 1 1 A 59 59 ALA HA H 59 5.409 4.981 0.428 1
1 714 . 11 1 1 A 59 59 ALA C C 59 174.966 174.876 0.090 1
1 715 . 11 1 1 A 59 59 ALA CA C 59 50.783 50.468 0.315 1
1 716 . 11 1 1 A 59 59 ALA CB C 59 23.985 22.285 1.700 1
1 717 . 11 1 1 A 59 59 ALA N N 59 125.556 121.291 4.265 1
1 718 . 11 1 1 A 60 60 TYR H H 60 9.347 8.189 1.158 1
1 719 . 11 1 1 A 60 60 TYR HA H 60 5.030 5.081 -0.051 1
1 726 . 11 1 1 A 60 60 TYR C C 60 171.673 175.123 -3.450 1
1 727 . 11 1 1 A 60 60 TYR CA C 60 55.484 57.172 -1.688 1
1 728 . 11 1 1 A 60 60 TYR CB C 60 39.502 41.882 -2.380 1
1 731 . 11 1 1 A 60 60 TYR N N 60 118.946 119.898 -0.952 1
1 732 . 11 1 1 A 61 61 ALA H H 61 9.176 8.602 0.574 1
1 733 . 11 1 1 A 61 61 ALA HA H 61 4.116 3.928 0.188 1
1 737 . 11 1 1 A 61 61 ALA C C 61 175.825 176.656 -0.831 1
1 738 . 11 1 1 A 61 61 ALA CA C 61 52.809 52.920 -0.111 1
1 739 . 11 1 1 A 61 61 ALA CB C 61 16.597 17.358 -0.761 1
1 740 . 11 1 1 A 61 61 ALA N N 61 124.113 121.662 2.451 1
1 741 . 11 1 1 A 62 62 VAL H H 62 7.968 7.745 0.223 1
1 742 . 11 1 1 A 62 62 VAL HA H 62 4.300 4.291 0.009 1
1 750 . 11 1 1 A 62 62 VAL C C 62 175.395 176.079 -0.684 1
1 751 . 11 1 1 A 62 62 VAL CA C 62 62.252 63.130 -0.878 1
1 752 . 11 1 1 A 62 62 VAL CB C 62 31.435 31.714 -0.279 1
1 755 . 11 1 1 A 62 62 VAL N N 62 116.561 118.229 -1.668 1
1 756 . 11 1 1 A 63 63 LYS H H 63 9.208 9.324 -0.116 1
1 757 . 11 1 1 A 63 63 LYS HA H 63 4.633 5.195 -0.562 1
1 766 . 11 1 1 A 63 63 LYS C C 63 175.238 175.586 -0.348 1
1 767 . 11 1 1 A 63 63 LYS CA C 63 54.729 54.918 -0.189 1
1 768 . 11 1 1 A 63 63 LYS CB C 63 34.859 34.552 0.307 1
1 772 . 11 1 1 A 63 63 LYS N N 63 128.892 128.509 0.383 1
1 773 . 11 1 1 A 64 64 VAL H H 64 9.588 8.968 0.620 1
1 774 . 11 1 1 A 64 64 VAL HA H 64 4.345 4.395 -0.050 1
1 782 . 11 1 1 A 64 64 VAL C C 64 176.856 175.483 1.373 1
1 783 . 11 1 1 A 64 64 VAL CA C 64 62.563 62.337 0.226 1
1 784 . 11 1 1 A 64 64 VAL CB C 64 30.916 32.079 -1.163 1
1 787 . 11 1 1 A 64 64 VAL N N 64 126.595 125.481 1.114 1
1 788 . 11 1 1 A 65 65 VAL H H 65 8.597 8.927 -0.330 1
1 789 . 11 1 1 A 65 65 VAL HA H 65 4.370 4.583 -0.213 1
1 797 . 11 1 1 A 65 65 VAL CA C 65 62.480 59.248 3.232 1
1 798 . 11 1 1 A 65 65 VAL CB C 65 32.436 32.439 -0.003 1
1 801 . 11 1 1 A 65 65 VAL N N 65 127.945 126.614 1.331 1
1 802 . 11 1 1 A 66 66 PRO HA H 66 4.385 4.820 -0.435 1
1 809 . 11 1 1 A 66 66 PRO C C 66 176.627 176.531 0.096 1
1 810 . 11 1 1 A 66 66 PRO CA C 66 62.511 62.143 0.368 1
1 811 . 11 1 1 A 66 66 PRO CB C 66 31.875 32.283 -0.408 1
1 814 . 11 1 1 A 67 67 LEU H H 67 8.236 8.178 0.058 1
1 815 . 11 1 1 A 67 67 LEU HA H 67 4.181 4.362 -0.181 1
1 825 . 11 1 1 A 67 67 LEU C C 67 177.357 175.615 1.742 1
1 826 . 11 1 1 A 67 67 LEU CA C 67 55.352 54.343 1.009 1
1 827 . 11 1 1 A 67 67 LEU CB C 67 42.355 41.030 1.325 1
1 831 . 11 1 1 A 67 67 LEU N N 67 122.691 118.959 3.732 1
1 832 . 11 1 1 A 68 68 GLU H H 68 8.432 8.279 0.153 1
1 833 . 11 1 1 A 68 68 GLU HA H 68 4.184 5.184 -1.000 1
1 838 . 11 1 1 A 68 68 GLU C C 68 176.054 174.890 1.164 1
1 839 . 11 1 1 A 68 68 GLU CA C 68 56.250 54.776 1.474 1
1 840 . 11 1 1 A 68 68 GLU CB C 68 30.077 33.372 -3.295 1
1 842 . 11 1 1 A 68 68 GLU N N 68 121.298 124.247 -2.949 1
1 843 . 11 1 1 A 69 69 HIS H H 69 8.303 9.184 -0.881 1
1 844 . 11 1 1 A 69 69 HIS HA H 69 4.517 5.142 -0.625 1
1 849 . 11 1 1 A 69 69 HIS C C 69 173.863 174.250 -0.387 1
1 850 . 11 1 1 A 69 69 HIS CA C 69 55.663 54.790 0.873 1
1 851 . 11 1 1 A 69 69 HIS CB C 69 29.904 31.428 -1.524 1
1 1 . 12 1 1 A 2 2 ALA HA H 2 3.908 4.486 -0.578 1
1 5 . 12 1 1 A 2 2 ALA C C 2 174.665 176.543 -1.878 1
1 6 . 12 1 1 A 2 2 ALA CA C 2 51.696 51.221 0.475 1
1 7 . 12 1 1 A 2 2 ALA CB C 2 19.380 19.678 -0.298 1
1 8 . 12 1 1 A 3 3 MET H H 3 8.516 8.192 0.324 1
1 9 . 12 1 1 A 3 3 MET HA H 3 4.349 4.982 -0.633 1
1 17 . 12 1 1 A 3 3 MET C C 3 173.119 175.167 -2.048 1
1 18 . 12 1 1 A 3 3 MET CA C 3 54.457 53.889 0.568 1
1 19 . 12 1 1 A 3 3 MET CB C 3 37.020 33.623 3.397 1
1 22 . 12 1 1 A 3 3 MET N N 3 118.958 123.160 -4.202 1
1 23 . 12 1 1 A 4 4 ASN H H 4 8.627 8.735 -0.108 1
1 24 . 12 1 1 A 4 4 ASN HA H 4 5.470 5.934 -0.464 1
1 29 . 12 1 1 A 4 4 ASN C C 4 175.782 174.379 1.403 1
1 30 . 12 1 1 A 4 4 ASN CA C 4 52.043 51.553 0.490 1
1 31 . 12 1 1 A 4 4 ASN CB C 4 41.102 41.224 -0.122 1
1 32 . 12 1 1 A 4 4 ASN N N 4 116.608 116.820 -0.212 1
1 34 . 12 1 1 A 5 5 GLY H H 5 8.444 9.053 -0.609 1
1 35 . 12 1 1 A 5 5 GLY HA2 H 5 4.652 4.463 0.189 1
1 36 . 12 1 1 A 5 5 GLY HA3 H 5 3.710 4.630 -0.920 1
1 37 . 12 1 1 A 5 5 GLY C C 5 171.487 173.013 -1.526 1
1 38 . 12 1 1 A 5 5 GLY CA C 5 46.682 44.445 2.237 1
1 39 . 12 1 1 A 5 5 GLY N N 5 104.747 109.569 -4.822 1
1 40 . 12 1 1 A 6 6 THR H H 6 8.303 8.801 -0.498 1
1 41 . 12 1 1 A 6 6 THR HA H 6 5.193 5.380 -0.187 1
1 46 . 12 1 1 A 6 6 THR C C 6 173.634 174.250 -0.616 1
1 47 . 12 1 1 A 6 6 THR CA C 6 60.367 59.905 0.462 1
1 48 . 12 1 1 A 6 6 THR CB C 6 72.071 70.697 1.374 1
1 50 . 12 1 1 A 6 6 THR N N 6 114.893 110.144 4.749 1
1 51 . 12 1 1 A 7 7 ILE H H 7 8.887 8.948 -0.061 1
1 52 . 12 1 1 A 7 7 ILE HA H 7 4.189 3.987 0.202 1
1 62 . 12 1 1 A 7 7 ILE C C 7 175.782 176.915 -1.133 1
1 63 . 12 1 1 A 7 7 ILE CA C 7 62.394 62.435 -0.041 1
1 64 . 12 1 1 A 7 7 ILE CB C 7 37.461 37.145 0.316 1
1 68 . 12 1 1 A 7 7 ILE N N 7 125.014 125.293 -0.279 1
1 69 . 12 1 1 A 8 8 THR H H 8 8.968 8.665 0.303 1
1 70 . 12 1 1 A 8 8 THR HA H 8 4.583 4.574 0.009 1
1 75 . 12 1 1 A 8 8 THR C C 8 175.352 174.829 0.523 1
1 76 . 12 1 1 A 8 8 THR CA C 8 62.547 62.351 0.196 1
1 77 . 12 1 1 A 8 8 THR CB C 8 69.324 69.867 -0.543 1
1 79 . 12 1 1 A 8 8 THR N N 8 123.264 119.244 4.020 1
1 80 . 12 1 1 A 9 9 THR H H 9 7.744 7.647 0.097 1
1 81 . 12 1 1 A 9 9 THR HA H 9 4.408 5.109 -0.701 1
1 86 . 12 1 1 A 9 9 THR C C 9 171.759 172.937 -1.178 1
1 87 . 12 1 1 A 9 9 THR CA C 9 61.370 61.685 -0.315 1
1 88 . 12 1 1 A 9 9 THR CB C 9 72.472 71.103 1.369 1
1 90 . 12 1 1 A 9 9 THR N N 9 116.608 115.396 1.212 1
1 91 . 12 1 1 A 10 10 TRP H H 10 8.620 8.303 0.317 1
1 92 . 12 1 1 A 10 10 TRP HA H 10 4.844 4.945 -0.101 1
1 101 . 12 1 1 A 10 10 TRP C C 10 172.833 173.567 -0.734 1
1 102 . 12 1 1 A 10 10 TRP CA C 10 55.471 56.808 -1.337 1
1 103 . 12 1 1 A 10 10 TRP CB C 10 32.843 32.906 -0.063 1
1 109 . 12 1 1 A 10 10 TRP N N 10 126.095 126.889 -0.794 1
1 111 . 12 1 1 A 11 11 PHE H H 11 7.892 8.024 -0.132 1
1 112 . 12 1 1 A 11 11 PHE HA H 11 4.508 4.659 -0.151 1
1 120 . 12 1 1 A 11 11 PHE C C 11 174.493 175.091 -0.598 1
1 121 . 12 1 1 A 11 11 PHE CA C 11 54.001 55.668 -1.667 1
1 122 . 12 1 1 A 11 11 PHE CB C 11 36.906 40.389 -3.483 1
1 126 . 12 1 1 A 11 11 PHE N N 11 127.953 125.020 2.933 1
1 127 . 12 1 1 A 12 12 LYS H H 12 7.844 8.549 -0.705 1
1 128 . 12 1 1 A 12 12 LYS HA H 12 2.844 3.624 -0.780 1
1 137 . 12 1 1 A 12 12 LYS C C 12 177.701 177.839 -0.138 1
1 138 . 12 1 1 A 12 12 LYS CA C 12 59.164 60.085 -0.921 1
1 139 . 12 1 1 A 12 12 LYS CB C 12 32.427 32.340 0.087 1
1 143 . 12 1 1 A 12 12 LYS N N 12 125.042 126.196 -1.154 1
1 144 . 12 1 1 A 13 13 ASP H H 13 8.638 8.066 0.572 1
1 145 . 12 1 1 A 13 13 ASP HA H 13 4.281 4.451 -0.170 1
1 148 . 12 1 1 A 13 13 ASP C C 13 176.827 177.644 -0.817 1
1 149 . 12 1 1 A 13 13 ASP CA C 13 55.401 55.917 -0.516 1
1 150 . 12 1 1 A 13 13 ASP CB C 13 39.349 40.616 -1.267 1
1 151 . 12 1 1 A 13 13 ASP N N 13 114.668 119.381 -4.713 1
1 152 . 12 1 1 A 14 14 LYS H H 14 6.965 7.363 -0.398 1
1 153 . 12 1 1 A 14 14 LYS HA H 14 4.425 4.127 0.298 1
1 162 . 12 1 1 A 14 14 LYS C C 14 176.913 177.020 -0.107 1
1 163 . 12 1 1 A 14 14 LYS CA C 14 55.288 56.363 -1.075 1
1 164 . 12 1 1 A 14 14 LYS CB C 14 34.562 32.692 1.870 1
1 168 . 12 1 1 A 14 14 LYS N N 14 116.507 117.023 -0.516 1
1 169 . 12 1 1 A 15 15 GLY H H 15 7.619 8.514 -0.895 1
1 170 . 12 1 1 A 15 15 GLY HA2 H 15 3.875 3.663 0.212 1
1 171 . 12 1 1 A 15 15 GLY HA3 H 15 3.499 3.867 -0.368 1
1 172 . 12 1 1 A 15 15 GLY C C 15 171.358 173.445 -2.087 1
1 173 . 12 1 1 A 15 15 GLY CA C 15 46.020 45.327 0.693 1
1 174 . 12 1 1 A 15 15 GLY N N 15 107.093 107.168 -0.075 1
1 175 . 12 1 1 A 16 16 PHE H H 16 6.663 6.781 -0.118 1
1 176 . 12 1 1 A 16 16 PHE HA H 16 4.866 5.310 -0.444 1
1 183 . 12 1 1 A 16 16 PHE C C 16 171.472 173.647 -2.175 1
1 184 . 12 1 1 A 16 16 PHE CA C 16 54.765 54.962 -0.197 1
1 185 . 12 1 1 A 16 16 PHE CB C 16 41.805 42.028 -0.223 1
1 188 . 12 1 1 A 16 16 PHE N N 16 112.369 114.225 -1.856 1
1 189 . 12 1 1 A 17 17 GLY H H 17 7.436 7.793 -0.357 1
1 190 . 12 1 1 A 17 17 GLY HA2 H 17 3.951 4.214 -0.263 1
1 191 . 12 1 1 A 17 17 GLY HA3 H 17 3.399 4.397 -0.998 1
1 192 . 12 1 1 A 17 17 GLY C C 17 169.926 171.451 -1.525 1
1 193 . 12 1 1 A 17 17 GLY CA C 17 45.073 46.081 -1.008 1
1 194 . 12 1 1 A 17 17 GLY N N 17 105.719 106.390 -0.671 1
1 195 . 12 1 1 A 18 18 PHE H H 18 8.505 9.215 -0.710 1
1 196 . 12 1 1 A 18 18 PHE HA H 18 5.728 5.642 0.086 1
1 204 . 12 1 1 A 18 18 PHE C C 18 175.023 175.154 -0.131 1
1 205 . 12 1 1 A 18 18 PHE CA C 18 56.493 56.411 0.082 1
1 206 . 12 1 1 A 18 18 PHE CB C 18 43.783 43.187 0.596 1
1 210 . 12 1 1 A 18 18 PHE N N 18 113.767 118.787 -5.020 1
1 211 . 12 1 1 A 19 19 ILE H H 19 9.615 8.899 0.716 1
1 212 . 12 1 1 A 19 19 ILE HA H 19 4.679 4.781 -0.102 1
1 222 . 12 1 1 A 19 19 ILE C C 19 174.894 174.945 -0.051 1
1 223 . 12 1 1 A 19 19 ILE CA C 19 58.585 60.390 -1.805 1
1 224 . 12 1 1 A 19 19 ILE CB C 19 43.854 41.380 2.474 1
1 228 . 12 1 1 A 19 19 ILE N N 19 122.746 122.503 0.243 1
1 229 . 12 1 1 A 20 20 LYS H H 20 8.971 8.512 0.459 1
1 230 . 12 1 1 A 20 20 LYS HA H 20 5.241 5.118 0.123 1
1 239 . 12 1 1 A 20 20 LYS C C 20 177.413 176.191 1.222 1
1 240 . 12 1 1 A 20 20 LYS CA C 20 54.622 55.825 -1.203 1
1 241 . 12 1 1 A 20 20 LYS CB C 20 33.070 33.536 -0.466 1
1 245 . 12 1 1 A 20 20 LYS N N 20 127.450 127.500 -0.050 1
1 246 . 12 1 1 A 21 21 ASP H H 21 9.363 8.415 0.948 1
1 247 . 12 1 1 A 21 21 ASP HA H 21 5.241 5.067 0.174 1
1 250 . 12 1 1 A 21 21 ASP C C 21 178.431 177.483 0.948 1
1 251 . 12 1 1 A 21 21 ASP CA C 21 52.981 51.953 1.028 1
1 252 . 12 1 1 A 21 21 ASP CB C 21 44.583 42.522 2.061 1
1 253 . 12 1 1 A 21 21 ASP N N 21 129.797 125.933 3.864 1
1 254 . 12 1 1 A 22 22 GLU H H 22 8.127 8.730 -0.603 1
1 255 . 12 1 1 A 22 22 GLU HA H 22 4.264 4.009 0.255 1
1 260 . 12 1 1 A 22 22 GLU C C 22 176.226 178.736 -2.510 1
1 261 . 12 1 1 A 22 22 GLU CA C 22 57.515 59.538 -2.023 1
1 262 . 12 1 1 A 22 22 GLU CB C 22 29.830 29.206 0.624 1
1 264 . 12 1 1 A 22 22 GLU N N 22 115.545 117.925 -2.380 1
1 265 . 12 1 1 A 23 23 ASN H H 23 8.606 8.113 0.493 1
1 266 . 12 1 1 A 23 23 ASN HA H 23 4.963 4.766 0.197 1
1 271 . 12 1 1 A 23 23 ASN C C 23 175.582 175.406 0.176 1
1 272 . 12 1 1 A 23 23 ASN CA C 23 52.968 53.575 -0.607 1
1 273 . 12 1 1 A 23 23 ASN CB C 23 39.172 38.986 0.186 1
1 274 . 12 1 1 A 23 23 ASN N N 23 118.707 115.742 2.965 1
1 276 . 12 1 1 A 24 24 GLY H H 24 8.451 7.781 0.670 1
1 277 . 12 1 1 A 24 24 GLY HA2 H 24 4.323 4.069 0.254 1
1 278 . 12 1 1 A 24 24 GLY HA3 H 24 3.484 4.073 -0.589 1
1 279 . 12 1 1 A 24 24 GLY C C 24 174.121 173.574 0.547 1
1 280 . 12 1 1 A 24 24 GLY CA C 24 44.816 45.107 -0.291 1
1 281 . 12 1 1 A 24 24 GLY N N 24 108.999 107.398 1.601 1
1 282 . 12 1 1 A 25 25 ASP H H 25 8.326 7.970 0.356 1
1 283 . 12 1 1 A 25 25 ASP HA H 25 4.792 5.074 -0.282 1
1 286 . 12 1 1 A 25 25 ASP C C 25 173.047 174.895 -1.848 1
1 287 . 12 1 1 A 25 25 ASP CA C 25 54.677 52.072 2.605 1
1 288 . 12 1 1 A 25 25 ASP CB C 25 41.577 43.136 -1.559 1
1 289 . 12 1 1 A 25 25 ASP N N 25 121.814 121.853 -0.039 1
1 290 . 12 1 1 A 26 26 ASN H H 26 8.503 9.038 -0.535 1
1 291 . 12 1 1 A 26 26 ASN HA H 26 5.607 6.025 -0.418 1
1 296 . 12 1 1 A 26 26 ASN C C 26 175.496 174.194 1.302 1
1 297 . 12 1 1 A 26 26 ASN CA C 26 52.290 51.504 0.786 1
1 298 . 12 1 1 A 26 26 ASN CB C 26 40.017 42.355 -2.338 1
1 299 . 12 1 1 A 26 26 ASN N N 26 119.224 117.182 2.042 1
1 301 . 12 1 1 A 27 27 ARG H H 27 9.884 8.836 1.048 1
1 302 . 12 1 1 A 27 27 ARG HA H 27 4.720 4.880 -0.160 1
1 309 . 12 1 1 A 27 27 ARG C C 27 174.665 174.689 -0.024 1
1 310 . 12 1 1 A 27 27 ARG CA C 27 54.314 54.505 -0.191 1
1 311 . 12 1 1 A 27 27 ARG CB C 27 33.562 32.712 0.850 1
1 314 . 12 1 1 A 27 27 ARG N N 27 122.242 121.562 0.680 1
1 315 . 12 1 1 A 28 28 TYR H H 28 8.314 9.225 -0.911 1
1 316 . 12 1 1 A 28 28 TYR HA H 28 4.365 4.768 -0.403 1
1 323 . 12 1 1 A 28 28 TYR C C 28 174.765 174.069 0.696 1
1 324 . 12 1 1 A 28 28 TYR CA C 28 58.102 57.355 0.747 1
1 325 . 12 1 1 A 28 28 TYR CB C 28 39.606 39.423 0.183 1
1 328 . 12 1 1 A 28 28 TYR N N 28 126.908 124.230 2.678 1
1 329 . 12 1 1 A 29 29 PHE H H 29 7.873 8.863 -0.990 1
1 330 . 12 1 1 A 29 29 PHE HA H 29 5.159 5.135 0.024 1
1 338 . 12 1 1 A 29 29 PHE C C 29 169.840 174.793 -4.953 1
1 339 . 12 1 1 A 29 29 PHE CA C 29 56.025 56.651 -0.626 1
1 340 . 12 1 1 A 29 29 PHE CB C 29 42.454 41.861 0.593 1
1 344 . 12 1 1 A 29 29 PHE N N 29 124.137 126.308 -2.171 1
1 345 . 12 1 1 A 30 30 HIS H H 30 8.255 8.679 -0.424 1
1 346 . 12 1 1 A 30 30 HIS HA H 30 4.819 5.501 -0.682 1
1 351 . 12 1 1 A 30 30 HIS C C 30 176.598 175.309 1.289 1
1 352 . 12 1 1 A 30 30 HIS CA C 30 55.040 56.071 -1.031 1
1 353 . 12 1 1 A 30 30 HIS CB C 30 35.066 33.241 1.825 1
1 356 . 12 1 1 A 30 30 HIS N N 30 119.922 121.151 -1.229 1
1 357 . 12 1 1 A 31 31 VAL H H 31 8.390 9.286 -0.896 1
1 358 . 12 1 1 A 31 31 VAL HA H 31 3.911 3.905 0.006 1
1 366 . 12 1 1 A 31 31 VAL C C 31 176.713 176.892 -0.179 1
1 367 . 12 1 1 A 31 31 VAL CA C 31 65.423 65.100 0.323 1
1 368 . 12 1 1 A 31 31 VAL CB C 31 32.354 31.790 0.564 1
1 371 . 12 1 1 A 31 31 VAL N N 31 126.977 124.694 2.283 1
1 372 . 12 1 1 A 32 32 ILE H H 32 10.207 7.373 2.834 1
1 373 . 12 1 1 A 32 32 ILE HA H 32 4.397 3.831 0.566 1
1 383 . 12 1 1 A 32 32 ILE C C 32 177.414 176.980 0.434 1
1 384 . 12 1 1 A 32 32 ILE CA C 32 63.601 62.681 0.920 1
1 385 . 12 1 1 A 32 32 ILE CB C 32 38.023 37.509 0.514 1
1 389 . 12 1 1 A 32 32 ILE N N 32 123.360 119.936 3.424 1
1 390 . 12 1 1 A 33 33 LYS H H 33 8.435 7.597 0.838 1
1 391 . 12 1 1 A 33 33 LYS HA H 33 4.734 4.471 0.263 1
1 400 . 12 1 1 A 33 33 LYS C C 33 175.037 175.711 -0.674 1
1 401 . 12 1 1 A 33 33 LYS CA C 33 54.046 55.879 -1.833 1
1 402 . 12 1 1 A 33 33 LYS CB C 33 31.743 33.164 -1.421 1
1 406 . 12 1 1 A 33 33 LYS N N 33 118.502 119.511 -1.009 1
1 407 . 12 1 1 A 34 34 VAL H H 34 7.750 7.613 0.137 1
1 408 . 12 1 1 A 34 34 VAL HA H 34 4.672 4.272 0.400 1
1 416 . 12 1 1 A 34 34 VAL C C 34 175.911 175.734 0.177 1
1 417 . 12 1 1 A 34 34 VAL CA C 34 60.255 62.562 -2.307 1
1 418 . 12 1 1 A 34 34 VAL CB C 34 32.064 32.421 -0.357 1
1 421 . 12 1 1 A 34 34 VAL N N 34 120.487 121.037 -0.550 1
1 422 . 12 1 1 A 35 35 ALA H H 35 9.109 8.895 0.214 1
1 423 . 12 1 1 A 35 35 ALA HA H 35 4.143 4.246 -0.103 1
1 427 . 12 1 1 A 35 35 ALA C C 35 177.887 177.711 0.176 1
1 428 . 12 1 1 A 35 35 ALA CA C 35 54.562 53.885 0.677 1
1 429 . 12 1 1 A 35 35 ALA CB C 35 18.880 19.593 -0.713 1
1 430 . 12 1 1 A 35 35 ALA N N 35 129.552 128.802 0.750 1
1 431 . 12 1 1 A 36 36 ASN H H 36 8.169 7.969 0.200 1
1 432 . 12 1 1 A 36 36 ASN HA H 36 5.108 4.990 0.118 1
1 437 . 12 1 1 A 36 36 ASN CA C 36 50.333 50.688 -0.355 1
1 438 . 12 1 1 A 36 36 ASN CB C 36 35.521 38.301 -2.780 1
1 439 . 12 1 1 A 36 36 ASN N N 36 112.302 115.370 -3.068 1
1 441 . 12 1 1 A 37 37 PRO HA H 37 3.891 4.313 -0.422 1
1 448 . 12 1 1 A 37 37 PRO C C 37 177.715 177.383 0.332 1
1 449 . 12 1 1 A 37 37 PRO CA C 37 64.104 64.344 -0.240 1
1 450 . 12 1 1 A 37 37 PRO CB C 37 32.380 31.870 0.510 1
1 453 . 12 1 1 A 38 38 ASP H H 38 8.843 8.330 0.513 1
1 454 . 12 1 1 A 38 38 ASP HA H 38 4.350 4.532 -0.182 1
1 457 . 12 1 1 A 38 38 ASP C C 38 176.942 177.032 -0.090 1
1 458 . 12 1 1 A 38 38 ASP CA C 38 56.035 56.332 -0.297 1
1 459 . 12 1 1 A 38 38 ASP CB C 38 39.249 40.617 -1.368 1
1 460 . 12 1 1 A 38 38 ASP N N 38 118.913 117.480 1.433 1
1 461 . 12 1 1 A 39 39 LEU H H 39 7.548 7.086 0.462 1
1 462 . 12 1 1 A 39 39 LEU HA H 39 4.268 4.355 -0.087 1
1 472 . 12 1 1 A 39 39 LEU C C 39 176.727 176.100 0.627 1
1 473 . 12 1 1 A 39 39 LEU CA C 39 54.091 54.064 0.027 1
1 474 . 12 1 1 A 39 39 LEU CB C 39 41.404 41.266 0.138 1
1 478 . 12 1 1 A 39 39 LEU N N 39 117.047 116.439 0.608 1
1 479 . 12 1 1 A 40 40 ILE H H 40 7.047 6.995 0.052 1
1 480 . 12 1 1 A 40 40 ILE HA H 40 2.710 3.853 -1.143 1
1 490 . 12 1 1 A 40 40 ILE C C 40 174.794 175.773 -0.979 1
1 491 . 12 1 1 A 40 40 ILE CA C 40 64.352 61.084 3.268 1
1 492 . 12 1 1 A 40 40 ILE CB C 40 37.301 37.277 0.024 1
1 496 . 12 1 1 A 40 40 ILE N N 40 118.412 121.434 -3.022 1
1 497 . 12 1 1 A 41 41 LYS H H 41 6.395 8.705 -2.310 1
1 498 . 12 1 1 A 41 41 LYS HA H 41 4.246 4.935 -0.689 1
1 507 . 12 1 1 A 41 41 LYS C C 41 174.422 174.647 -0.225 1
1 508 . 12 1 1 A 41 41 LYS CA C 41 54.521 53.917 0.604 1
1 509 . 12 1 1 A 41 41 LYS CB C 41 35.426 36.245 -0.819 1
1 513 . 12 1 1 A 41 41 LYS N N 41 122.843 126.394 -3.551 1
1 514 . 12 1 1 A 42 42 LYS H H 42 8.788 8.504 0.284 1
1 515 . 12 1 1 A 42 42 LYS HA H 42 3.603 3.958 -0.355 1
1 524 . 12 1 1 A 42 42 LYS C C 42 176.169 176.851 -0.682 1
1 525 . 12 1 1 A 42 42 LYS CA C 42 59.038 56.967 2.071 1
1 526 . 12 1 1 A 42 42 LYS CB C 42 31.981 32.653 -0.672 1
1 530 . 12 1 1 A 42 42 LYS N N 42 122.219 122.597 -0.378 1
1 531 . 12 1 1 A 43 43 ASP H H 43 9.183 9.047 0.136 1
1 532 . 12 1 1 A 43 43 ASP HA H 43 4.191 4.279 -0.088 1
1 535 . 12 1 1 A 43 43 ASP C C 43 174.866 174.870 -0.004 1
1 536 . 12 1 1 A 43 43 ASP CA C 43 57.064 55.525 1.539 1
1 537 . 12 1 1 A 43 43 ASP CB C 43 38.724 40.500 -1.776 1
1 538 . 12 1 1 A 43 43 ASP N N 43 119.807 125.364 -5.557 1
1 539 . 12 1 1 A 44 44 ALA H H 44 7.669 7.333 0.336 1
1 540 . 12 1 1 A 44 44 ALA HA H 44 4.273 4.443 -0.170 1
1 544 . 12 1 1 A 44 44 ALA C C 44 176.197 176.834 -0.637 1
1 545 . 12 1 1 A 44 44 ALA CA C 44 52.503 51.716 0.787 1
1 546 . 12 1 1 A 44 44 ALA CB C 44 19.511 20.572 -1.061 1
1 547 . 12 1 1 A 44 44 ALA N N 44 121.785 122.698 -0.913 1
1 548 . 12 1 1 A 45 45 ALA H H 45 8.522 8.521 0.001 1
1 549 . 12 1 1 A 45 45 ALA HA H 45 4.820 5.486 -0.666 1
1 553 . 12 1 1 A 45 45 ALA C C 45 177.128 176.862 0.266 1
1 554 . 12 1 1 A 45 45 ALA CA C 45 51.512 50.576 0.936 1
1 555 . 12 1 1 A 45 45 ALA CB C 45 19.306 20.986 -1.680 1
1 556 . 12 1 1 A 45 45 ALA N N 45 125.014 123.144 1.870 1
1 557 . 12 1 1 A 46 46 VAL H H 46 8.358 9.438 -1.080 1
1 558 . 12 1 1 A 46 46 VAL HA H 46 5.659 4.903 0.756 1
1 566 . 12 1 1 A 46 46 VAL C C 46 177.199 174.745 2.454 1
1 567 . 12 1 1 A 46 46 VAL CA C 46 57.919 59.387 -1.468 1
1 568 . 12 1 1 A 46 46 VAL CB C 46 36.362 35.319 1.043 1
1 571 . 12 1 1 A 46 46 VAL N N 46 109.774 116.247 -6.473 1
1 572 . 12 1 1 A 47 47 THR H H 47 8.902 9.302 -0.400 1
1 573 . 12 1 1 A 47 47 THR HA H 47 5.462 5.325 0.137 1
1 578 . 12 1 1 A 47 47 THR C C 47 173.405 174.023 -0.618 1
1 579 . 12 1 1 A 47 47 THR CA C 47 60.139 60.041 0.098 1
1 580 . 12 1 1 A 47 47 THR CB C 47 71.233 70.597 0.636 1
1 582 . 12 1 1 A 47 47 THR N N 47 112.758 116.960 -4.202 1
1 583 . 12 1 1 A 48 48 PHE H H 48 8.423 8.321 0.102 1
1 584 . 12 1 1 A 48 48 PHE HA H 48 5.099 5.313 -0.214 1
1 591 . 12 1 1 A 48 48 PHE C C 48 172.231 172.589 -0.358 1
1 592 . 12 1 1 A 48 48 PHE CA C 48 56.390 55.643 0.747 1
1 593 . 12 1 1 A 48 48 PHE CB C 48 41.169 41.715 -0.546 1
1 596 . 12 1 1 A 48 48 PHE N N 48 115.866 118.770 -2.904 1
1 597 . 12 1 1 A 49 49 GLU H H 49 8.622 9.071 -0.449 1
1 598 . 12 1 1 A 49 49 GLU HA H 49 4.907 4.891 0.016 1
1 603 . 12 1 1 A 49 49 GLU CA C 49 51.497 53.905 -2.408 1
1 604 . 12 1 1 A 49 49 GLU CB C 49 28.890 30.009 -1.119 1
1 606 . 12 1 1 A 49 49 GLU N N 49 117.484 120.357 -2.873 1
1 607 . 12 1 1 A 50 50 PRO HA H 50 4.829 5.023 -0.194 1
1 614 . 12 1 1 A 50 50 PRO C C 50 175.925 175.300 0.625 1
1 615 . 12 1 1 A 50 50 PRO CA C 50 62.593 62.359 0.234 1
1 616 . 12 1 1 A 50 50 PRO CB C 50 32.917 32.030 0.887 1
1 619 . 12 1 1 A 51 51 THR H H 51 7.621 8.482 -0.861 1
1 620 . 12 1 1 A 51 51 THR HA H 51 4.742 4.841 -0.099 1
1 625 . 12 1 1 A 51 51 THR C C 51 172.074 172.246 -0.172 1
1 626 . 12 1 1 A 51 51 THR CA C 51 60.558 59.972 0.586 1
1 627 . 12 1 1 A 51 51 THR CB C 51 68.841 71.070 -2.229 1
1 629 . 12 1 1 A 51 51 THR N N 51 112.909 116.818 -3.909 1
1 630 . 12 1 1 A 52 52 THR H H 52 8.367 8.579 -0.212 1
1 631 . 12 1 1 A 52 52 THR HA H 52 4.975 4.944 0.031 1
1 636 . 12 1 1 A 52 52 THR C C 52 173.047 173.265 -0.218 1
1 637 . 12 1 1 A 52 52 THR CA C 52 60.794 61.096 -0.302 1
1 638 . 12 1 1 A 52 52 THR CB C 52 71.210 70.674 0.536 1
1 640 . 12 1 1 A 52 52 THR N N 52 117.260 119.565 -2.305 1
1 641 . 12 1 1 A 53 53 ASN H H 53 8.827 8.555 0.272 1
1 642 . 12 1 1 A 53 53 ASN HA H 53 4.756 5.094 -0.338 1
1 647 . 12 1 1 A 53 53 ASN CA C 53 53.430 51.479 1.951 1
1 648 . 12 1 1 A 53 53 ASN CB C 53 38.660 41.044 -2.384 1
1 649 . 12 1 1 A 53 53 ASN N N 53 122.737 124.057 -1.320 1
1 651 . 12 1 1 A 54 54 ASN HA H 54 4.420 4.357 0.063 1
1 656 . 12 1 1 A 54 54 ASN C C 54 176.154 176.994 -0.840 1
1 657 . 12 1 1 A 54 54 ASN CA C 54 55.580 56.292 -0.712 1
1 658 . 12 1 1 A 54 54 ASN CB C 54 36.917 38.165 -1.248 1
1 660 . 12 1 1 A 55 55 LYS H H 55 8.190 8.069 0.121 1
1 661 . 12 1 1 A 55 55 LYS HA H 55 4.225 4.296 -0.071 1
1 670 . 12 1 1 A 55 55 LYS C C 55 176.154 176.337 -0.183 1
1 671 . 12 1 1 A 55 55 LYS CA C 55 55.113 57.465 -2.352 1
1 672 . 12 1 1 A 55 55 LYS CB C 55 31.703 33.507 -1.804 1
1 676 . 12 1 1 A 55 55 LYS N N 55 117.935 119.000 -1.065 1
1 677 . 12 1 1 A 56 56 GLY H H 56 7.966 7.721 0.245 1
1 678 . 12 1 1 A 56 56 GLY HA2 H 56 4.496 4.041 0.455 1
1 679 . 12 1 1 A 56 56 GLY HA3 H 56 3.794 4.051 -0.257 1
1 680 . 12 1 1 A 56 56 GLY C C 56 173.262 172.644 0.618 1
1 681 . 12 1 1 A 56 56 GLY CA C 56 44.177 45.458 -1.281 1
1 682 . 12 1 1 A 56 56 GLY N N 56 108.898 106.543 2.355 1
1 683 . 12 1 1 A 57 57 LEU H H 57 8.716 8.509 0.207 1
1 684 . 12 1 1 A 57 57 LEU HA H 57 4.442 5.073 -0.631 1
1 694 . 12 1 1 A 57 57 LEU C C 57 178.488 175.353 3.135 1
1 695 . 12 1 1 A 57 57 LEU CA C 57 56.424 53.380 3.044 1
1 696 . 12 1 1 A 57 57 LEU CB C 57 42.582 45.202 -2.620 1
1 700 . 12 1 1 A 57 57 LEU N N 57 122.286 123.782 -1.496 1
1 701 . 12 1 1 A 58 58 SER H H 58 9.033 8.587 0.446 1
1 702 . 12 1 1 A 58 58 SER HA H 58 5.696 5.008 0.688 1
1 705 . 12 1 1 A 58 58 SER C C 58 173.820 172.128 1.692 1
1 706 . 12 1 1 A 58 58 SER CA C 58 56.715 56.715 0.000 1
1 707 . 12 1 1 A 58 58 SER CB C 58 65.779 66.747 -0.968 1
1 708 . 12 1 1 A 58 58 SER N N 58 117.913 115.747 2.166 1
1 709 . 12 1 1 A 59 59 ALA H H 59 8.775 8.193 0.582 1
1 710 . 12 1 1 A 59 59 ALA HA H 59 5.409 5.382 0.027 1
1 714 . 12 1 1 A 59 59 ALA C C 59 174.966 175.214 -0.248 1
1 715 . 12 1 1 A 59 59 ALA CA C 59 50.783 50.279 0.504 1
1 716 . 12 1 1 A 59 59 ALA CB C 59 23.985 23.126 0.859 1
1 717 . 12 1 1 A 59 59 ALA N N 59 125.556 122.132 3.424 1
1 718 . 12 1 1 A 60 60 TYR H H 60 9.347 8.823 0.524 1
1 719 . 12 1 1 A 60 60 TYR HA H 60 5.030 4.992 0.038 1
1 726 . 12 1 1 A 60 60 TYR C C 60 171.673 175.212 -3.539 1
1 727 . 12 1 1 A 60 60 TYR CA C 60 55.484 57.283 -1.799 1
1 728 . 12 1 1 A 60 60 TYR CB C 60 39.502 41.667 -2.165 1
1 731 . 12 1 1 A 60 60 TYR N N 60 118.946 119.561 -0.615 1
1 732 . 12 1 1 A 61 61 ALA H H 61 9.176 8.606 0.570 1
1 733 . 12 1 1 A 61 61 ALA HA H 61 4.116 3.907 0.209 1
1 737 . 12 1 1 A 61 61 ALA C C 61 175.825 176.678 -0.853 1
1 738 . 12 1 1 A 61 61 ALA CA C 61 52.809 52.926 -0.117 1
1 739 . 12 1 1 A 61 61 ALA CB C 61 16.597 17.374 -0.777 1
1 740 . 12 1 1 A 61 61 ALA N N 61 124.113 121.531 2.582 1
1 741 . 12 1 1 A 62 62 VAL H H 62 7.968 8.225 -0.257 1
1 742 . 12 1 1 A 62 62 VAL HA H 62 4.300 4.258 0.042 1
1 750 . 12 1 1 A 62 62 VAL C C 62 175.395 174.858 0.537 1
1 751 . 12 1 1 A 62 62 VAL CA C 62 62.252 63.005 -0.753 1
1 752 . 12 1 1 A 62 62 VAL CB C 62 31.435 31.243 0.192 1
1 755 . 12 1 1 A 62 62 VAL N N 62 116.561 118.072 -1.511 1
1 756 . 12 1 1 A 63 63 LYS H H 63 9.208 9.007 0.201 1
1 757 . 12 1 1 A 63 63 LYS HA H 63 4.633 5.148 -0.515 1
1 766 . 12 1 1 A 63 63 LYS C C 63 175.238 175.825 -0.587 1
1 767 . 12 1 1 A 63 63 LYS CA C 63 54.729 54.607 0.122 1
1 768 . 12 1 1 A 63 63 LYS CB C 63 34.859 34.827 0.032 1
1 772 . 12 1 1 A 63 63 LYS N N 63 128.892 129.593 -0.701 1
1 773 . 12 1 1 A 64 64 VAL H H 64 9.588 8.978 0.610 1
1 774 . 12 1 1 A 64 64 VAL HA H 64 4.345 4.144 0.201 1
1 782 . 12 1 1 A 64 64 VAL C C 64 176.856 175.695 1.161 1
1 783 . 12 1 1 A 64 64 VAL CA C 64 62.563 62.741 -0.178 1
1 784 . 12 1 1 A 64 64 VAL CB C 64 30.916 32.057 -1.141 1
1 787 . 12 1 1 A 64 64 VAL N N 64 126.595 127.458 -0.863 1
1 788 . 12 1 1 A 65 65 VAL H H 65 8.597 8.744 -0.147 1
1 789 . 12 1 1 A 65 65 VAL HA H 65 4.370 4.507 -0.137 1
1 797 . 12 1 1 A 65 65 VAL CA C 65 62.480 59.365 3.115 1
1 798 . 12 1 1 A 65 65 VAL CB C 65 32.436 31.796 0.640 1
1 801 . 12 1 1 A 65 65 VAL N N 65 127.945 126.199 1.746 1
1 802 . 12 1 1 A 66 66 PRO HA H 66 4.385 4.691 -0.306 1
1 809 . 12 1 1 A 66 66 PRO C C 66 176.627 176.772 -0.145 1
1 810 . 12 1 1 A 66 66 PRO CA C 66 62.511 62.215 0.296 1
1 811 . 12 1 1 A 66 66 PRO CB C 66 31.875 32.443 -0.568 1
1 814 . 12 1 1 A 67 67 LEU H H 67 8.236 8.156 0.080 1
1 815 . 12 1 1 A 67 67 LEU HA H 67 4.181 4.179 0.002 1
1 825 . 12 1 1 A 67 67 LEU C C 67 177.357 175.962 1.395 1
1 826 . 12 1 1 A 67 67 LEU CA C 67 55.352 55.073 0.279 1
1 827 . 12 1 1 A 67 67 LEU CB C 67 42.355 42.196 0.159 1
1 831 . 12 1 1 A 67 67 LEU N N 67 122.691 118.491 4.200 1
1 832 . 12 1 1 A 68 68 GLU H H 68 8.432 7.723 0.709 1
1 833 . 12 1 1 A 68 68 GLU HA H 68 4.184 4.565 -0.381 1
1 838 . 12 1 1 A 68 68 GLU C C 68 176.054 176.252 -0.198 1
1 839 . 12 1 1 A 68 68 GLU CA C 68 56.250 55.116 1.134 1
1 840 . 12 1 1 A 68 68 GLU CB C 68 30.077 32.463 -2.386 1
1 842 . 12 1 1 A 68 68 GLU N N 68 121.298 120.592 0.706 1
1 843 . 12 1 1 A 69 69 HIS H H 69 8.303 8.827 -0.524 1
1 844 . 12 1 1 A 69 69 HIS HA H 69 4.517 4.250 0.267 1
1 849 . 12 1 1 A 69 69 HIS C C 69 173.863 175.418 -1.555 1
1 850 . 12 1 1 A 69 69 HIS CA C 69 55.663 56.394 -0.731 1
1 851 . 12 1 1 A 69 69 HIS CB C 69 29.904 29.954 -0.050 1
1 1 . 13 1 1 A 2 2 ALA HA H 2 3.908 4.772 -0.864 1
1 5 . 13 1 1 A 2 2 ALA C C 2 174.665 176.437 -1.772 1
1 6 . 13 1 1 A 2 2 ALA CA C 2 51.696 50.479 1.217 1
1 7 . 13 1 1 A 2 2 ALA CB C 2 19.380 20.231 -0.851 1
1 8 . 13 1 1 A 3 3 MET H H 3 8.516 8.672 -0.156 1
1 9 . 13 1 1 A 3 3 MET HA H 3 4.349 4.881 -0.532 1
1 17 . 13 1 1 A 3 3 MET C C 3 173.119 174.925 -1.806 1
1 18 . 13 1 1 A 3 3 MET CA C 3 54.457 53.934 0.523 1
1 19 . 13 1 1 A 3 3 MET CB C 3 37.020 33.900 3.120 1
1 22 . 13 1 1 A 3 3 MET N N 3 118.958 122.526 -3.568 1
1 23 . 13 1 1 A 4 4 ASN H H 4 8.627 8.425 0.202 1
1 24 . 13 1 1 A 4 4 ASN HA H 4 5.470 5.199 0.271 1
1 29 . 13 1 1 A 4 4 ASN C C 4 175.782 175.234 0.548 1
1 30 . 13 1 1 A 4 4 ASN CA C 4 52.043 52.051 -0.008 1
1 31 . 13 1 1 A 4 4 ASN CB C 4 41.102 39.984 1.118 1
1 32 . 13 1 1 A 4 4 ASN N N 4 116.608 119.241 -2.633 1
1 34 . 13 1 1 A 5 5 GLY H H 5 8.444 8.861 -0.417 1
1 35 . 13 1 1 A 5 5 GLY HA2 H 5 4.652 4.451 0.201 1
1 36 . 13 1 1 A 5 5 GLY HA3 H 5 3.710 4.648 -0.938 1
1 37 . 13 1 1 A 5 5 GLY C C 5 171.487 172.084 -0.597 1
1 38 . 13 1 1 A 5 5 GLY CA C 5 46.682 45.081 1.601 1
1 39 . 13 1 1 A 5 5 GLY N N 5 104.747 110.356 -5.609 1
1 40 . 13 1 1 A 6 6 THR H H 6 8.303 9.094 -0.791 1
1 41 . 13 1 1 A 6 6 THR HA H 6 5.193 5.066 0.127 1
1 46 . 13 1 1 A 6 6 THR C C 6 173.634 173.241 0.393 1
1 47 . 13 1 1 A 6 6 THR CA C 6 60.367 61.356 -0.989 1
1 48 . 13 1 1 A 6 6 THR CB C 6 72.071 71.983 0.088 1
1 50 . 13 1 1 A 6 6 THR N N 6 114.893 114.511 0.382 1
1 51 . 13 1 1 A 7 7 ILE H H 7 8.887 8.964 -0.077 1
1 52 . 13 1 1 A 7 7 ILE HA H 7 4.189 3.989 0.200 1
1 62 . 13 1 1 A 7 7 ILE C C 7 175.782 176.691 -0.909 1
1 63 . 13 1 1 A 7 7 ILE CA C 7 62.394 61.526 0.868 1
1 64 . 13 1 1 A 7 7 ILE CB C 7 37.461 36.740 0.721 1
1 68 . 13 1 1 A 7 7 ILE N N 7 125.014 126.709 -1.695 1
1 69 . 13 1 1 A 8 8 THR H H 8 8.968 8.556 0.412 1
1 70 . 13 1 1 A 8 8 THR HA H 8 4.583 4.422 0.161 1
1 75 . 13 1 1 A 8 8 THR C C 8 175.352 174.091 1.261 1
1 76 . 13 1 1 A 8 8 THR CA C 8 62.547 62.710 -0.163 1
1 77 . 13 1 1 A 8 8 THR CB C 8 69.324 69.299 0.025 1
1 79 . 13 1 1 A 8 8 THR N N 8 123.264 119.178 4.086 1
1 80 . 13 1 1 A 9 9 THR H H 9 7.744 7.833 -0.089 1
1 81 . 13 1 1 A 9 9 THR HA H 9 4.408 4.616 -0.208 1
1 86 . 13 1 1 A 9 9 THR C C 9 171.759 173.551 -1.792 1
1 87 . 13 1 1 A 9 9 THR CA C 9 61.370 62.308 -0.938 1
1 88 . 13 1 1 A 9 9 THR CB C 9 72.472 69.582 2.890 1
1 90 . 13 1 1 A 9 9 THR N N 9 116.608 114.338 2.270 1
1 91 . 13 1 1 A 10 10 TRP H H 10 8.620 8.416 0.204 1
1 92 . 13 1 1 A 10 10 TRP HA H 10 4.844 5.117 -0.273 1
1 101 . 13 1 1 A 10 10 TRP C C 10 172.833 173.994 -1.161 1
1 102 . 13 1 1 A 10 10 TRP CA C 10 55.471 55.684 -0.213 1
1 103 . 13 1 1 A 10 10 TRP CB C 10 32.843 32.919 -0.076 1
1 109 . 13 1 1 A 10 10 TRP N N 10 126.095 128.219 -2.124 1
1 111 . 13 1 1 A 11 11 PHE H H 11 7.892 8.215 -0.323 1
1 112 . 13 1 1 A 11 11 PHE HA H 11 4.508 4.538 -0.030 1
1 120 . 13 1 1 A 11 11 PHE C C 11 174.493 175.018 -0.525 1
1 121 . 13 1 1 A 11 11 PHE CA C 11 54.001 55.717 -1.716 1
1 122 . 13 1 1 A 11 11 PHE CB C 11 36.906 38.390 -1.484 1
1 126 . 13 1 1 A 11 11 PHE N N 11 127.953 126.264 1.689 1
1 127 . 13 1 1 A 12 12 LYS H H 12 7.844 7.759 0.085 1
1 128 . 13 1 1 A 12 12 LYS HA H 12 2.844 3.274 -0.430 1
1 137 . 13 1 1 A 12 12 LYS C C 12 177.701 177.403 0.298 1
1 138 . 13 1 1 A 12 12 LYS CA C 12 59.164 59.557 -0.393 1
1 139 . 13 1 1 A 12 12 LYS CB C 12 32.427 32.238 0.189 1
1 143 . 13 1 1 A 12 12 LYS N N 12 125.042 124.560 0.482 1
1 144 . 13 1 1 A 13 13 ASP H H 13 8.638 7.772 0.866 1
1 145 . 13 1 1 A 13 13 ASP HA H 13 4.281 4.354 -0.073 1
1 148 . 13 1 1 A 13 13 ASP C C 13 176.827 177.222 -0.395 1
1 149 . 13 1 1 A 13 13 ASP CA C 13 55.401 56.256 -0.855 1
1 150 . 13 1 1 A 13 13 ASP CB C 13 39.349 40.867 -1.518 1
1 151 . 13 1 1 A 13 13 ASP N N 13 114.668 119.281 -4.613 1
1 152 . 13 1 1 A 14 14 LYS H H 14 6.965 7.318 -0.353 1
1 153 . 13 1 1 A 14 14 LYS HA H 14 4.425 4.225 0.200 1
1 162 . 13 1 1 A 14 14 LYS C C 14 176.913 176.639 0.274 1
1 163 . 13 1 1 A 14 14 LYS CA C 14 55.288 56.546 -1.258 1
1 164 . 13 1 1 A 14 14 LYS CB C 14 34.562 33.783 0.779 1
1 168 . 13 1 1 A 14 14 LYS N N 14 116.507 116.947 -0.440 1
1 169 . 13 1 1 A 15 15 GLY H H 15 7.619 8.498 -0.879 1
1 170 . 13 1 1 A 15 15 GLY HA2 H 15 3.875 3.874 0.001 1
1 171 . 13 1 1 A 15 15 GLY HA3 H 15 3.499 4.010 -0.511 1
1 172 . 13 1 1 A 15 15 GLY C C 15 171.358 173.514 -2.156 1
1 173 . 13 1 1 A 15 15 GLY CA C 15 46.020 44.933 1.087 1
1 174 . 13 1 1 A 15 15 GLY N N 15 107.093 106.257 0.836 1
1 175 . 13 1 1 A 16 16 PHE H H 16 6.663 7.059 -0.396 1
1 176 . 13 1 1 A 16 16 PHE HA H 16 4.866 5.305 -0.439 1
1 183 . 13 1 1 A 16 16 PHE C C 16 171.472 173.803 -2.331 1
1 184 . 13 1 1 A 16 16 PHE CA C 16 54.765 55.277 -0.512 1
1 185 . 13 1 1 A 16 16 PHE CB C 16 41.805 42.322 -0.517 1
1 188 . 13 1 1 A 16 16 PHE N N 16 112.369 114.255 -1.886 1
1 189 . 13 1 1 A 17 17 GLY H H 17 7.436 8.384 -0.948 1
1 190 . 13 1 1 A 17 17 GLY HA2 H 17 3.951 4.287 -0.336 1
1 191 . 13 1 1 A 17 17 GLY HA3 H 17 3.399 4.486 -1.087 1
1 192 . 13 1 1 A 17 17 GLY C C 17 169.926 171.309 -1.383 1
1 193 . 13 1 1 A 17 17 GLY CA C 17 45.073 46.097 -1.024 1
1 194 . 13 1 1 A 17 17 GLY N N 17 105.719 106.531 -0.812 1
1 195 . 13 1 1 A 18 18 PHE H H 18 8.505 9.348 -0.843 1
1 196 . 13 1 1 A 18 18 PHE HA H 18 5.728 5.756 -0.028 1
1 204 . 13 1 1 A 18 18 PHE C C 18 175.023 174.842 0.181 1
1 205 . 13 1 1 A 18 18 PHE CA C 18 56.493 56.252 0.241 1
1 206 . 13 1 1 A 18 18 PHE CB C 18 43.783 42.993 0.790 1
1 210 . 13 1 1 A 18 18 PHE N N 18 113.767 118.557 -4.790 1
1 211 . 13 1 1 A 19 19 ILE H H 19 9.615 8.944 0.671 1
1 212 . 13 1 1 A 19 19 ILE HA H 19 4.679 4.723 -0.044 1
1 222 . 13 1 1 A 19 19 ILE C C 19 174.894 174.184 0.710 1
1 223 . 13 1 1 A 19 19 ILE CA C 19 58.585 59.961 -1.376 1
1 224 . 13 1 1 A 19 19 ILE CB C 19 43.854 39.859 3.995 1
1 228 . 13 1 1 A 19 19 ILE N N 19 122.746 122.902 -0.156 1
1 229 . 13 1 1 A 20 20 LYS H H 20 8.971 8.792 0.179 1
1 230 . 13 1 1 A 20 20 LYS HA H 20 5.241 5.300 -0.059 1
1 239 . 13 1 1 A 20 20 LYS C C 20 177.413 176.128 1.285 1
1 240 . 13 1 1 A 20 20 LYS CA C 20 54.622 54.804 -0.182 1
1 241 . 13 1 1 A 20 20 LYS CB C 20 33.070 35.356 -2.286 1
1 245 . 13 1 1 A 20 20 LYS N N 20 127.450 128.460 -1.010 1
1 246 . 13 1 1 A 21 21 ASP H H 21 9.363 8.578 0.785 1
1 247 . 13 1 1 A 21 21 ASP HA H 21 5.241 5.014 0.227 1
1 250 . 13 1 1 A 21 21 ASP C C 21 178.431 176.826 1.605 1
1 251 . 13 1 1 A 21 21 ASP CA C 21 52.981 52.470 0.511 1
1 252 . 13 1 1 A 21 21 ASP CB C 21 44.583 41.689 2.894 1
1 253 . 13 1 1 A 21 21 ASP N N 21 129.797 124.838 4.959 1
1 254 . 13 1 1 A 22 22 GLU H H 22 8.127 8.585 -0.458 1
1 255 . 13 1 1 A 22 22 GLU HA H 22 4.264 4.540 -0.276 1
1 260 . 13 1 1 A 22 22 GLU C C 22 176.226 176.689 -0.463 1
1 261 . 13 1 1 A 22 22 GLU CA C 22 57.515 56.469 1.046 1
1 262 . 13 1 1 A 22 22 GLU CB C 22 29.830 29.961 -0.131 1
1 264 . 13 1 1 A 22 22 GLU N N 22 115.545 117.798 -2.253 1
1 265 . 13 1 1 A 23 23 ASN H H 23 8.606 8.634 -0.028 1
1 266 . 13 1 1 A 23 23 ASN HA H 23 4.963 5.010 -0.047 1
1 271 . 13 1 1 A 23 23 ASN C C 23 175.582 176.841 -1.259 1
1 272 . 13 1 1 A 23 23 ASN CA C 23 52.968 54.258 -1.290 1
1 273 . 13 1 1 A 23 23 ASN CB C 23 39.172 40.925 -1.753 1
1 274 . 13 1 1 A 23 23 ASN N N 23 118.707 119.291 -0.584 1
1 276 . 13 1 1 A 24 24 GLY H H 24 8.451 8.829 -0.378 1
1 277 . 13 1 1 A 24 24 GLY HA2 H 24 4.323 4.092 0.231 1
1 278 . 13 1 1 A 24 24 GLY HA3 H 24 3.484 4.108 -0.624 1
1 279 . 13 1 1 A 24 24 GLY C C 24 174.121 173.727 0.394 1
1 280 . 13 1 1 A 24 24 GLY CA C 24 44.816 46.079 -1.263 1
1 281 . 13 1 1 A 24 24 GLY N N 24 108.999 107.078 1.921 1
1 282 . 13 1 1 A 25 25 ASP H H 25 8.326 7.826 0.500 1
1 283 . 13 1 1 A 25 25 ASP HA H 25 4.792 4.955 -0.163 1
1 286 . 13 1 1 A 25 25 ASP C C 25 173.047 174.719 -1.672 1
1 287 . 13 1 1 A 25 25 ASP CA C 25 54.677 52.900 1.777 1
1 288 . 13 1 1 A 25 25 ASP CB C 25 41.577 43.737 -2.160 1
1 289 . 13 1 1 A 25 25 ASP N N 25 121.814 117.652 4.162 1
1 290 . 13 1 1 A 26 26 ASN H H 26 8.503 8.925 -0.422 1
1 291 . 13 1 1 A 26 26 ASN HA H 26 5.607 5.732 -0.125 1
1 296 . 13 1 1 A 26 26 ASN C C 26 175.496 174.556 0.940 1
1 297 . 13 1 1 A 26 26 ASN CA C 26 52.290 52.178 0.112 1
1 298 . 13 1 1 A 26 26 ASN CB C 26 40.017 40.412 -0.395 1
1 299 . 13 1 1 A 26 26 ASN N N 26 119.224 117.605 1.619 1
1 301 . 13 1 1 A 27 27 ARG H H 27 9.884 9.119 0.765 1
1 302 . 13 1 1 A 27 27 ARG HA H 27 4.720 5.043 -0.323 1
1 309 . 13 1 1 A 27 27 ARG C C 27 174.665 174.896 -0.231 1
1 310 . 13 1 1 A 27 27 ARG CA C 27 54.314 54.305 0.009 1
1 311 . 13 1 1 A 27 27 ARG CB C 27 33.562 34.073 -0.511 1
1 314 . 13 1 1 A 27 27 ARG N N 27 122.242 120.336 1.906 1
1 315 . 13 1 1 A 28 28 TYR H H 28 8.314 9.186 -0.872 1
1 316 . 13 1 1 A 28 28 TYR HA H 28 4.365 4.934 -0.569 1
1 323 . 13 1 1 A 28 28 TYR C C 28 174.765 174.480 0.285 1
1 324 . 13 1 1 A 28 28 TYR CA C 28 58.102 58.537 -0.435 1
1 325 . 13 1 1 A 28 28 TYR CB C 28 39.606 39.678 -0.072 1
1 328 . 13 1 1 A 28 28 TYR N N 28 126.908 123.460 3.448 1
1 329 . 13 1 1 A 29 29 PHE H H 29 7.873 8.620 -0.747 1
1 330 . 13 1 1 A 29 29 PHE HA H 29 5.159 5.027 0.132 1
1 338 . 13 1 1 A 29 29 PHE C C 29 169.840 174.225 -4.385 1
1 339 . 13 1 1 A 29 29 PHE CA C 29 56.025 56.124 -0.099 1
1 340 . 13 1 1 A 29 29 PHE CB C 29 42.454 43.694 -1.240 1
1 344 . 13 1 1 A 29 29 PHE N N 29 124.137 125.107 -0.970 1
1 345 . 13 1 1 A 30 30 HIS H H 30 8.255 8.824 -0.569 1
1 346 . 13 1 1 A 30 30 HIS HA H 30 4.819 5.260 -0.441 1
1 351 . 13 1 1 A 30 30 HIS C C 30 176.598 174.330 2.268 1
1 352 . 13 1 1 A 30 30 HIS CA C 30 55.040 55.871 -0.831 1
1 353 . 13 1 1 A 30 30 HIS CB C 30 35.066 33.447 1.619 1
1 356 . 13 1 1 A 30 30 HIS N N 30 119.922 121.682 -1.760 1
1 357 . 13 1 1 A 31 31 VAL H H 31 8.390 8.517 -0.127 1
1 358 . 13 1 1 A 31 31 VAL HA H 31 3.911 4.103 -0.192 1
1 366 . 13 1 1 A 31 31 VAL C C 31 176.713 176.479 0.234 1
1 367 . 13 1 1 A 31 31 VAL CA C 31 65.423 63.438 1.985 1
1 368 . 13 1 1 A 31 31 VAL CB C 31 32.354 31.467 0.887 1
1 371 . 13 1 1 A 31 31 VAL N N 31 126.977 124.109 2.868 1
1 372 . 13 1 1 A 32 32 ILE H H 32 10.207 8.459 1.748 1
1 373 . 13 1 1 A 32 32 ILE HA H 32 4.397 4.553 -0.156 1
1 383 . 13 1 1 A 32 32 ILE C C 32 177.414 177.360 0.054 1
1 384 . 13 1 1 A 32 32 ILE CA C 32 63.601 62.129 1.472 1
1 385 . 13 1 1 A 32 32 ILE CB C 32 38.023 40.759 -2.736 1
1 389 . 13 1 1 A 32 32 ILE N N 32 123.360 122.017 1.343 1
1 390 . 13 1 1 A 33 33 LYS H H 33 8.435 7.631 0.804 1
1 391 . 13 1 1 A 33 33 LYS HA H 33 4.734 4.443 0.291 1
1 400 . 13 1 1 A 33 33 LYS C C 33 175.037 176.170 -1.133 1
1 401 . 13 1 1 A 33 33 LYS CA C 33 54.046 56.256 -2.210 1
1 402 . 13 1 1 A 33 33 LYS CB C 33 31.743 33.263 -1.520 1
1 406 . 13 1 1 A 33 33 LYS N N 33 118.502 119.756 -1.254 1
1 407 . 13 1 1 A 34 34 VAL H H 34 7.750 7.674 0.076 1
1 408 . 13 1 1 A 34 34 VAL HA H 34 4.672 4.234 0.438 1
1 416 . 13 1 1 A 34 34 VAL C C 34 175.911 176.073 -0.162 1
1 417 . 13 1 1 A 34 34 VAL CA C 34 60.255 62.772 -2.517 1
1 418 . 13 1 1 A 34 34 VAL CB C 34 32.064 32.342 -0.278 1
1 421 . 13 1 1 A 34 34 VAL N N 34 120.487 121.038 -0.551 1
1 422 . 13 1 1 A 35 35 ALA H H 35 9.109 9.042 0.067 1
1 423 . 13 1 1 A 35 35 ALA HA H 35 4.143 4.206 -0.063 1
1 427 . 13 1 1 A 35 35 ALA C C 35 177.887 177.506 0.381 1
1 428 . 13 1 1 A 35 35 ALA CA C 35 54.562 53.736 0.826 1
1 429 . 13 1 1 A 35 35 ALA CB C 35 18.880 19.290 -0.410 1
1 430 . 13 1 1 A 35 35 ALA N N 35 129.552 128.428 1.124 1
1 431 . 13 1 1 A 36 36 ASN H H 36 8.169 7.201 0.968 1
1 432 . 13 1 1 A 36 36 ASN HA H 36 5.108 5.169 -0.061 1
1 437 . 13 1 1 A 36 36 ASN CA C 36 50.333 50.610 -0.277 1
1 438 . 13 1 1 A 36 36 ASN CB C 36 35.521 39.072 -3.551 1
1 439 . 13 1 1 A 36 36 ASN N N 36 112.302 116.334 -4.032 1
1 441 . 13 1 1 A 37 37 PRO HA H 37 3.891 4.447 -0.556 1
1 448 . 13 1 1 A 37 37 PRO C C 37 177.715 177.549 0.166 1
1 449 . 13 1 1 A 37 37 PRO CA C 37 64.104 64.143 -0.039 1
1 450 . 13 1 1 A 37 37 PRO CB C 37 32.380 31.805 0.575 1
1 453 . 13 1 1 A 38 38 ASP H H 38 8.843 8.484 0.359 1
1 454 . 13 1 1 A 38 38 ASP HA H 38 4.350 4.571 -0.221 1
1 457 . 13 1 1 A 38 38 ASP C C 38 176.942 177.075 -0.133 1
1 458 . 13 1 1 A 38 38 ASP CA C 38 56.035 55.907 0.128 1
1 459 . 13 1 1 A 38 38 ASP CB C 38 39.249 40.831 -1.582 1
1 460 . 13 1 1 A 38 38 ASP N N 38 118.913 117.658 1.255 1
1 461 . 13 1 1 A 39 39 LEU H H 39 7.548 7.457 0.091 1
1 462 . 13 1 1 A 39 39 LEU HA H 39 4.268 4.663 -0.395 1
1 472 . 13 1 1 A 39 39 LEU C C 39 176.727 176.230 0.497 1
1 473 . 13 1 1 A 39 39 LEU CA C 39 54.091 54.310 -0.219 1
1 474 . 13 1 1 A 39 39 LEU CB C 39 41.404 42.879 -1.475 1
1 478 . 13 1 1 A 39 39 LEU N N 39 117.047 116.789 0.258 1
1 479 . 13 1 1 A 40 40 ILE H H 40 7.047 7.293 -0.246 1
1 480 . 13 1 1 A 40 40 ILE HA H 40 2.710 3.715 -1.005 1
1 490 . 13 1 1 A 40 40 ILE C C 40 174.794 175.335 -0.541 1
1 491 . 13 1 1 A 40 40 ILE CA C 40 64.352 61.690 2.662 1
1 492 . 13 1 1 A 40 40 ILE CB C 40 37.301 37.540 -0.239 1
1 496 . 13 1 1 A 40 40 ILE N N 40 118.412 121.662 -3.250 1
1 497 . 13 1 1 A 41 41 LYS H H 41 6.395 8.455 -2.060 1
1 498 . 13 1 1 A 41 41 LYS HA H 41 4.246 4.904 -0.658 1
1 507 . 13 1 1 A 41 41 LYS C C 41 174.422 174.194 0.228 1
1 508 . 13 1 1 A 41 41 LYS CA C 41 54.521 54.349 0.172 1
1 509 . 13 1 1 A 41 41 LYS CB C 41 35.426 35.189 0.237 1
1 513 . 13 1 1 A 41 41 LYS N N 41 122.843 123.900 -1.057 1
1 514 . 13 1 1 A 42 42 LYS H H 42 8.788 8.485 0.303 1
1 515 . 13 1 1 A 42 42 LYS HA H 42 3.603 3.927 -0.324 1
1 524 . 13 1 1 A 42 42 LYS C C 42 176.169 176.925 -0.756 1
1 525 . 13 1 1 A 42 42 LYS CA C 42 59.038 57.680 1.358 1
1 526 . 13 1 1 A 42 42 LYS CB C 42 31.981 32.560 -0.579 1
1 530 . 13 1 1 A 42 42 LYS N N 42 122.219 122.609 -0.390 1
1 531 . 13 1 1 A 43 43 ASP H H 43 9.183 9.243 -0.060 1
1 532 . 13 1 1 A 43 43 ASP HA H 43 4.191 4.243 -0.052 1
1 535 . 13 1 1 A 43 43 ASP C C 43 174.866 175.136 -0.270 1
1 536 . 13 1 1 A 43 43 ASP CA C 43 57.064 55.553 1.511 1
1 537 . 13 1 1 A 43 43 ASP CB C 43 38.724 40.481 -1.757 1
1 538 . 13 1 1 A 43 43 ASP N N 43 119.807 125.859 -6.052 1
1 539 . 13 1 1 A 44 44 ALA H H 44 7.669 7.237 0.432 1
1 540 . 13 1 1 A 44 44 ALA HA H 44 4.273 4.423 -0.150 1
1 544 . 13 1 1 A 44 44 ALA C C 44 176.197 177.189 -0.992 1
1 545 . 13 1 1 A 44 44 ALA CA C 44 52.503 52.061 0.442 1
1 546 . 13 1 1 A 44 44 ALA CB C 44 19.511 19.916 -0.405 1
1 547 . 13 1 1 A 44 44 ALA N N 44 121.785 122.684 -0.899 1
1 548 . 13 1 1 A 45 45 ALA H H 45 8.522 8.325 0.197 1
1 549 . 13 1 1 A 45 45 ALA HA H 45 4.820 4.836 -0.016 1
1 553 . 13 1 1 A 45 45 ALA C C 45 177.128 177.434 -0.306 1
1 554 . 13 1 1 A 45 45 ALA CA C 45 51.512 51.480 0.032 1
1 555 . 13 1 1 A 45 45 ALA CB C 45 19.306 20.083 -0.777 1
1 556 . 13 1 1 A 45 45 ALA N N 45 125.014 123.660 1.354 1
1 557 . 13 1 1 A 46 46 VAL H H 46 8.358 9.290 -0.932 1
1 558 . 13 1 1 A 46 46 VAL HA H 46 5.659 5.088 0.571 1
1 566 . 13 1 1 A 46 46 VAL C C 46 177.199 174.283 2.916 1
1 567 . 13 1 1 A 46 46 VAL CA C 46 57.919 59.334 -1.415 1
1 568 . 13 1 1 A 46 46 VAL CB C 46 36.362 36.151 0.211 1
1 571 . 13 1 1 A 46 46 VAL N N 46 109.774 116.552 -6.778 1
1 572 . 13 1 1 A 47 47 THR H H 47 8.902 9.264 -0.362 1
1 573 . 13 1 1 A 47 47 THR HA H 47 5.462 5.415 0.047 1
1 578 . 13 1 1 A 47 47 THR C C 47 173.405 173.604 -0.199 1
1 579 . 13 1 1 A 47 47 THR CA C 47 60.139 59.892 0.247 1
1 580 . 13 1 1 A 47 47 THR CB C 47 71.233 71.294 -0.061 1
1 582 . 13 1 1 A 47 47 THR N N 47 112.758 113.330 -0.572 1
1 583 . 13 1 1 A 48 48 PHE H H 48 8.423 8.214 0.209 1
1 584 . 13 1 1 A 48 48 PHE HA H 48 5.099 5.143 -0.044 1
1 591 . 13 1 1 A 48 48 PHE C C 48 172.231 172.169 0.062 1
1 592 . 13 1 1 A 48 48 PHE CA C 48 56.390 55.901 0.489 1
1 593 . 13 1 1 A 48 48 PHE CB C 48 41.169 41.176 -0.007 1
1 596 . 13 1 1 A 48 48 PHE N N 48 115.866 118.441 -2.575 1
1 597 . 13 1 1 A 49 49 GLU H H 49 8.622 8.658 -0.036 1
1 598 . 13 1 1 A 49 49 GLU HA H 49 4.907 4.870 0.037 1
1 603 . 13 1 1 A 49 49 GLU CA C 49 51.497 52.785 -1.288 1
1 604 . 13 1 1 A 49 49 GLU CB C 49 28.890 31.141 -2.251 1
1 606 . 13 1 1 A 49 49 GLU N N 49 117.484 120.097 -2.613 1
1 607 . 13 1 1 A 50 50 PRO HA H 50 4.829 4.874 -0.045 1
1 614 . 13 1 1 A 50 50 PRO C C 50 175.925 175.142 0.783 1
1 615 . 13 1 1 A 50 50 PRO CA C 50 62.593 62.382 0.211 1
1 616 . 13 1 1 A 50 50 PRO CB C 50 32.917 32.797 0.120 1
1 619 . 13 1 1 A 51 51 THR H H 51 7.621 8.772 -1.151 1
1 620 . 13 1 1 A 51 51 THR HA H 51 4.742 4.908 -0.166 1
1 625 . 13 1 1 A 51 51 THR C C 51 172.074 172.167 -0.093 1
1 626 . 13 1 1 A 51 51 THR CA C 51 60.558 60.333 0.225 1
1 627 . 13 1 1 A 51 51 THR CB C 51 68.841 70.012 -1.171 1
1 629 . 13 1 1 A 51 51 THR N N 51 112.909 115.044 -2.135 1
1 630 . 13 1 1 A 52 52 THR H H 52 8.367 8.675 -0.308 1
1 631 . 13 1 1 A 52 52 THR HA H 52 4.975 5.275 -0.300 1
1 636 . 13 1 1 A 52 52 THR C C 52 173.047 173.398 -0.351 1
1 637 . 13 1 1 A 52 52 THR CA C 52 60.794 61.124 -0.330 1
1 638 . 13 1 1 A 52 52 THR CB C 52 71.210 72.425 -1.215 1
1 640 . 13 1 1 A 52 52 THR N N 52 117.260 117.067 0.193 1
1 641 . 13 1 1 A 53 53 ASN H H 53 8.827 9.144 -0.317 1
1 642 . 13 1 1 A 53 53 ASN HA H 53 4.756 5.106 -0.350 1
1 647 . 13 1 1 A 53 53 ASN CA C 53 53.430 51.483 1.947 1
1 648 . 13 1 1 A 53 53 ASN CB C 53 38.660 41.812 -3.152 1
1 649 . 13 1 1 A 53 53 ASN N N 53 122.737 123.161 -0.424 1
1 651 . 13 1 1 A 54 54 ASN HA H 54 4.420 4.415 0.005 1
1 656 . 13 1 1 A 54 54 ASN C C 54 176.154 177.205 -1.051 1
1 657 . 13 1 1 A 54 54 ASN CA C 54 55.580 56.029 -0.449 1
1 658 . 13 1 1 A 54 54 ASN CB C 54 36.917 38.338 -1.421 1
1 660 . 13 1 1 A 55 55 LYS H H 55 8.190 7.626 0.564 1
1 661 . 13 1 1 A 55 55 LYS HA H 55 4.225 4.076 0.149 1
1 670 . 13 1 1 A 55 55 LYS C C 55 176.154 176.626 -0.472 1
1 671 . 13 1 1 A 55 55 LYS CA C 55 55.113 57.612 -2.499 1
1 672 . 13 1 1 A 55 55 LYS CB C 55 31.703 33.051 -1.348 1
1 676 . 13 1 1 A 55 55 LYS N N 55 117.935 116.670 1.265 1
1 677 . 13 1 1 A 56 56 GLY H H 56 7.966 7.286 0.680 1
1 678 . 13 1 1 A 56 56 GLY HA2 H 56 4.496 4.108 0.388 1
1 679 . 13 1 1 A 56 56 GLY HA3 H 56 3.794 4.118 -0.324 1
1 680 . 13 1 1 A 56 56 GLY C C 56 173.262 171.800 1.462 1
1 681 . 13 1 1 A 56 56 GLY CA C 56 44.177 45.718 -1.541 1
1 682 . 13 1 1 A 56 56 GLY N N 56 108.898 104.233 4.665 1
1 683 . 13 1 1 A 57 57 LEU H H 57 8.716 8.581 0.135 1
1 684 . 13 1 1 A 57 57 LEU HA H 57 4.442 4.486 -0.044 1
1 694 . 13 1 1 A 57 57 LEU C C 57 178.488 176.081 2.407 1
1 695 . 13 1 1 A 57 57 LEU CA C 57 56.424 55.704 0.720 1
1 696 . 13 1 1 A 57 57 LEU CB C 57 42.582 42.218 0.364 1
1 700 . 13 1 1 A 57 57 LEU N N 57 122.286 123.728 -1.442 1
1 701 . 13 1 1 A 58 58 SER H H 58 9.033 8.728 0.305 1
1 702 . 13 1 1 A 58 58 SER HA H 58 5.696 4.977 0.719 1
1 705 . 13 1 1 A 58 58 SER C C 58 173.820 172.584 1.236 1
1 706 . 13 1 1 A 58 58 SER CA C 58 56.715 57.801 -1.086 1
1 707 . 13 1 1 A 58 58 SER CB C 58 65.779 67.159 -1.380 1
1 708 . 13 1 1 A 58 58 SER N N 58 117.913 117.870 0.043 1
1 709 . 13 1 1 A 59 59 ALA H H 59 8.775 8.179 0.596 1
1 710 . 13 1 1 A 59 59 ALA HA H 59 5.409 5.128 0.281 1
1 714 . 13 1 1 A 59 59 ALA C C 59 174.966 175.316 -0.350 1
1 715 . 13 1 1 A 59 59 ALA CA C 59 50.783 50.377 0.406 1
1 716 . 13 1 1 A 59 59 ALA CB C 59 23.985 23.732 0.253 1
1 717 . 13 1 1 A 59 59 ALA N N 59 125.556 122.872 2.684 1
1 718 . 13 1 1 A 60 60 TYR H H 60 9.347 8.398 0.949 1
1 719 . 13 1 1 A 60 60 TYR HA H 60 5.030 5.047 -0.017 1
1 726 . 13 1 1 A 60 60 TYR C C 60 171.673 173.952 -2.279 1
1 727 . 13 1 1 A 60 60 TYR CA C 60 55.484 56.046 -0.562 1
1 728 . 13 1 1 A 60 60 TYR CB C 60 39.502 41.075 -1.573 1
1 731 . 13 1 1 A 60 60 TYR N N 60 118.946 116.782 2.164 1
1 732 . 13 1 1 A 61 61 ALA H H 61 9.176 8.673 0.503 1
1 733 . 13 1 1 A 61 61 ALA HA H 61 4.116 3.955 0.161 1
1 737 . 13 1 1 A 61 61 ALA C C 61 175.825 176.725 -0.900 1
1 738 . 13 1 1 A 61 61 ALA CA C 61 52.809 53.013 -0.204 1
1 739 . 13 1 1 A 61 61 ALA CB C 61 16.597 17.552 -0.955 1
1 740 . 13 1 1 A 61 61 ALA N N 61 124.113 120.692 3.421 1
1 741 . 13 1 1 A 62 62 VAL H H 62 7.968 7.658 0.310 1
1 742 . 13 1 1 A 62 62 VAL HA H 62 4.300 4.399 -0.099 1
1 750 . 13 1 1 A 62 62 VAL C C 62 175.395 175.624 -0.229 1
1 751 . 13 1 1 A 62 62 VAL CA C 62 62.252 62.795 -0.543 1
1 752 . 13 1 1 A 62 62 VAL CB C 62 31.435 31.834 -0.399 1
1 755 . 13 1 1 A 62 62 VAL N N 62 116.561 118.628 -2.067 1
1 756 . 13 1 1 A 63 63 LYS H H 63 9.208 9.115 0.093 1
1 757 . 13 1 1 A 63 63 LYS HA H 63 4.633 4.721 -0.088 1
1 766 . 13 1 1 A 63 63 LYS C C 63 175.238 176.549 -1.311 1
1 767 . 13 1 1 A 63 63 LYS CA C 63 54.729 55.018 -0.289 1
1 768 . 13 1 1 A 63 63 LYS CB C 63 34.859 33.903 0.956 1
1 772 . 13 1 1 A 63 63 LYS N N 63 128.892 128.022 0.870 1
1 773 . 13 1 1 A 64 64 VAL H H 64 9.588 8.685 0.903 1
1 774 . 13 1 1 A 64 64 VAL HA H 64 4.345 4.176 0.169 1
1 782 . 13 1 1 A 64 64 VAL C C 64 176.856 175.499 1.357 1
1 783 . 13 1 1 A 64 64 VAL CA C 64 62.563 62.839 -0.276 1
1 784 . 13 1 1 A 64 64 VAL CB C 64 30.916 32.156 -1.240 1
1 787 . 13 1 1 A 64 64 VAL N N 64 126.595 124.312 2.283 1
1 788 . 13 1 1 A 65 65 VAL H H 65 8.597 9.250 -0.653 1
1 789 . 13 1 1 A 65 65 VAL HA H 65 4.370 4.607 -0.237 1
1 797 . 13 1 1 A 65 65 VAL CA C 65 62.480 59.247 3.233 1
1 798 . 13 1 1 A 65 65 VAL CB C 65 32.436 32.287 0.149 1
1 801 . 13 1 1 A 65 65 VAL N N 65 127.945 127.141 0.804 1
1 802 . 13 1 1 A 66 66 PRO HA H 66 4.385 4.845 -0.460 1
1 809 . 13 1 1 A 66 66 PRO C C 66 176.627 177.295 -0.668 1
1 810 . 13 1 1 A 66 66 PRO CA C 66 62.511 62.153 0.358 1
1 811 . 13 1 1 A 66 66 PRO CB C 66 31.875 32.543 -0.668 1
1 814 . 13 1 1 A 67 67 LEU H H 67 8.236 8.523 -0.287 1
1 815 . 13 1 1 A 67 67 LEU HA H 67 4.181 4.417 -0.236 1
1 825 . 13 1 1 A 67 67 LEU C C 67 177.357 177.304 0.053 1
1 826 . 13 1 1 A 67 67 LEU CA C 67 55.352 55.241 0.111 1
1 827 . 13 1 1 A 67 67 LEU CB C 67 42.355 41.256 1.099 1
1 831 . 13 1 1 A 67 67 LEU N N 67 122.691 121.870 0.821 1
1 832 . 13 1 1 A 68 68 GLU H H 68 8.432 7.843 0.589 1
1 833 . 13 1 1 A 68 68 GLU HA H 68 4.184 4.457 -0.273 1
1 838 . 13 1 1 A 68 68 GLU C C 68 176.054 176.450 -0.396 1
1 839 . 13 1 1 A 68 68 GLU CA C 68 56.250 58.198 -1.948 1
1 840 . 13 1 1 A 68 68 GLU CB C 68 30.077 31.543 -1.466 1
1 842 . 13 1 1 A 68 68 GLU N N 68 121.298 120.398 0.900 1
1 843 . 13 1 1 A 69 69 HIS H H 69 8.303 8.243 0.060 1
1 844 . 13 1 1 A 69 69 HIS HA H 69 4.517 4.194 0.323 1
1 849 . 13 1 1 A 69 69 HIS C C 69 173.863 175.205 -1.342 1
1 850 . 13 1 1 A 69 69 HIS CA C 69 55.663 56.828 -1.165 1
1 851 . 13 1 1 A 69 69 HIS CB C 69 29.904 28.163 1.741 1
1 1 . 14 1 1 A 2 2 ALA HA H 2 3.908 3.927 -0.019 1
1 5 . 14 1 1 A 2 2 ALA C C 2 174.665 175.800 -1.135 1
1 6 . 14 1 1 A 2 2 ALA CA C 2 51.696 54.191 -2.495 1
1 7 . 14 1 1 A 2 2 ALA CB C 2 19.380 17.754 1.626 1
1 8 . 14 1 1 A 3 3 MET H H 3 8.516 8.026 0.490 1
1 9 . 14 1 1 A 3 3 MET HA H 3 4.349 4.827 -0.478 1
1 17 . 14 1 1 A 3 3 MET C C 3 173.119 173.366 -0.247 1
1 18 . 14 1 1 A 3 3 MET CA C 3 54.457 54.009 0.448 1
1 19 . 14 1 1 A 3 3 MET CB C 3 37.020 35.525 1.495 1
1 22 . 14 1 1 A 3 3 MET N N 3 118.958 118.268 0.690 1
1 23 . 14 1 1 A 4 4 ASN H H 4 8.627 8.545 0.082 1
1 24 . 14 1 1 A 4 4 ASN HA H 4 5.470 5.467 0.003 1
1 29 . 14 1 1 A 4 4 ASN C C 4 175.782 175.020 0.762 1
1 30 . 14 1 1 A 4 4 ASN CA C 4 52.043 51.271 0.772 1
1 31 . 14 1 1 A 4 4 ASN CB C 4 41.102 41.510 -0.408 1
1 32 . 14 1 1 A 4 4 ASN N N 4 116.608 119.149 -2.541 1
1 34 . 14 1 1 A 5 5 GLY H H 5 8.444 8.326 0.118 1
1 35 . 14 1 1 A 5 5 GLY HA2 H 5 4.652 4.523 0.129 1
1 36 . 14 1 1 A 5 5 GLY HA3 H 5 3.710 4.720 -1.010 1
1 37 . 14 1 1 A 5 5 GLY C C 5 171.487 171.749 -0.262 1
1 38 . 14 1 1 A 5 5 GLY CA C 5 46.682 44.968 1.714 1
1 39 . 14 1 1 A 5 5 GLY N N 5 104.747 108.495 -3.748 1
1 40 . 14 1 1 A 6 6 THR H H 6 8.303 9.559 -1.256 1
1 41 . 14 1 1 A 6 6 THR HA H 6 5.193 5.089 0.104 1
1 46 . 14 1 1 A 6 6 THR C C 6 173.634 174.218 -0.584 1
1 47 . 14 1 1 A 6 6 THR CA C 6 60.367 61.307 -0.940 1
1 48 . 14 1 1 A 6 6 THR CB C 6 72.071 70.749 1.322 1
1 50 . 14 1 1 A 6 6 THR N N 6 114.893 115.295 -0.402 1
1 51 . 14 1 1 A 7 7 ILE H H 7 8.887 9.254 -0.367 1
1 52 . 14 1 1 A 7 7 ILE HA H 7 4.189 4.004 0.185 1
1 62 . 14 1 1 A 7 7 ILE C C 7 175.782 176.786 -1.004 1
1 63 . 14 1 1 A 7 7 ILE CA C 7 62.394 62.131 0.263 1
1 64 . 14 1 1 A 7 7 ILE CB C 7 37.461 36.967 0.494 1
1 68 . 14 1 1 A 7 7 ILE N N 7 125.014 127.355 -2.341 1
1 69 . 14 1 1 A 8 8 THR H H 8 8.968 8.536 0.432 1
1 70 . 14 1 1 A 8 8 THR HA H 8 4.583 4.532 0.051 1
1 75 . 14 1 1 A 8 8 THR C C 8 175.352 174.398 0.954 1
1 76 . 14 1 1 A 8 8 THR CA C 8 62.547 62.359 0.188 1
1 77 . 14 1 1 A 8 8 THR CB C 8 69.324 69.947 -0.623 1
1 79 . 14 1 1 A 8 8 THR N N 8 123.264 118.949 4.315 1
1 80 . 14 1 1 A 9 9 THR H H 9 7.744 7.784 -0.040 1
1 81 . 14 1 1 A 9 9 THR HA H 9 4.408 5.015 -0.607 1
1 86 . 14 1 1 A 9 9 THR C C 9 171.759 173.161 -1.402 1
1 87 . 14 1 1 A 9 9 THR CA C 9 61.370 61.478 -0.108 1
1 88 . 14 1 1 A 9 9 THR CB C 9 72.472 70.564 1.908 1
1 90 . 14 1 1 A 9 9 THR N N 9 116.608 114.254 2.354 1
1 91 . 14 1 1 A 10 10 TRP H H 10 8.620 8.436 0.184 1
1 92 . 14 1 1 A 10 10 TRP HA H 10 4.844 5.026 -0.182 1
1 101 . 14 1 1 A 10 10 TRP C C 10 172.833 174.613 -1.780 1
1 102 . 14 1 1 A 10 10 TRP CA C 10 55.471 55.642 -0.171 1
1 103 . 14 1 1 A 10 10 TRP CB C 10 32.843 32.230 0.613 1
1 109 . 14 1 1 A 10 10 TRP N N 10 126.095 128.302 -2.207 1
1 111 . 14 1 1 A 11 11 PHE H H 11 7.892 8.644 -0.752 1
1 112 . 14 1 1 A 11 11 PHE HA H 11 4.508 4.325 0.183 1
1 120 . 14 1 1 A 11 11 PHE C C 11 174.493 174.994 -0.501 1
1 121 . 14 1 1 A 11 11 PHE CA C 11 54.001 56.269 -2.268 1
1 122 . 14 1 1 A 11 11 PHE CB C 11 36.906 36.745 0.161 1
1 126 . 14 1 1 A 11 11 PHE N N 11 127.953 125.986 1.967 1
1 127 . 14 1 1 A 12 12 LYS H H 12 7.844 7.455 0.389 1
1 128 . 14 1 1 A 12 12 LYS HA H 12 2.844 3.368 -0.524 1
1 137 . 14 1 1 A 12 12 LYS C C 12 177.701 177.326 0.375 1
1 138 . 14 1 1 A 12 12 LYS CA C 12 59.164 59.520 -0.356 1
1 139 . 14 1 1 A 12 12 LYS CB C 12 32.427 32.222 0.205 1
1 143 . 14 1 1 A 12 12 LYS N N 12 125.042 124.697 0.345 1
1 144 . 14 1 1 A 13 13 ASP H H 13 8.638 8.139 0.499 1
1 145 . 14 1 1 A 13 13 ASP HA H 13 4.281 4.306 -0.025 1
1 148 . 14 1 1 A 13 13 ASP C C 13 176.827 177.869 -1.042 1
1 149 . 14 1 1 A 13 13 ASP CA C 13 55.401 57.406 -2.005 1
1 150 . 14 1 1 A 13 13 ASP CB C 13 39.349 41.164 -1.815 1
1 151 . 14 1 1 A 13 13 ASP N N 13 114.668 118.703 -4.035 1
1 152 . 14 1 1 A 14 14 LYS H H 14 6.965 7.460 -0.495 1
1 153 . 14 1 1 A 14 14 LYS HA H 14 4.425 4.172 0.253 1
1 162 . 14 1 1 A 14 14 LYS C C 14 176.913 176.456 0.457 1
1 163 . 14 1 1 A 14 14 LYS CA C 14 55.288 56.882 -1.594 1
1 164 . 14 1 1 A 14 14 LYS CB C 14 34.562 32.907 1.655 1
1 168 . 14 1 1 A 14 14 LYS N N 14 116.507 115.441 1.066 1
1 169 . 14 1 1 A 15 15 GLY H H 15 7.619 8.420 -0.801 1
1 170 . 14 1 1 A 15 15 GLY HA2 H 15 3.875 3.818 0.057 1
1 171 . 14 1 1 A 15 15 GLY HA3 H 15 3.499 3.967 -0.468 1
1 172 . 14 1 1 A 15 15 GLY C C 15 171.358 173.435 -2.077 1
1 173 . 14 1 1 A 15 15 GLY CA C 15 46.020 44.846 1.174 1
1 174 . 14 1 1 A 15 15 GLY N N 15 107.093 106.321 0.772 1
1 175 . 14 1 1 A 16 16 PHE H H 16 6.663 6.969 -0.306 1
1 176 . 14 1 1 A 16 16 PHE HA H 16 4.866 5.122 -0.256 1
1 183 . 14 1 1 A 16 16 PHE C C 16 171.472 173.503 -2.031 1
1 184 . 14 1 1 A 16 16 PHE CA C 16 54.765 54.941 -0.176 1
1 185 . 14 1 1 A 16 16 PHE CB C 16 41.805 42.125 -0.320 1
1 188 . 14 1 1 A 16 16 PHE N N 16 112.369 114.197 -1.828 1
1 189 . 14 1 1 A 17 17 GLY H H 17 7.436 8.217 -0.781 1
1 190 . 14 1 1 A 17 17 GLY HA2 H 17 3.951 4.114 -0.163 1
1 191 . 14 1 1 A 17 17 GLY HA3 H 17 3.399 4.425 -1.026 1
1 192 . 14 1 1 A 17 17 GLY C C 17 169.926 171.370 -1.444 1
1 193 . 14 1 1 A 17 17 GLY CA C 17 45.073 45.944 -0.871 1
1 194 . 14 1 1 A 17 17 GLY N N 17 105.719 106.268 -0.549 1
1 195 . 14 1 1 A 18 18 PHE H H 18 8.505 9.477 -0.972 1
1 196 . 14 1 1 A 18 18 PHE HA H 18 5.728 5.893 -0.165 1
1 204 . 14 1 1 A 18 18 PHE C C 18 175.023 174.993 0.030 1
1 205 . 14 1 1 A 18 18 PHE CA C 18 56.493 56.340 0.153 1
1 206 . 14 1 1 A 18 18 PHE CB C 18 43.783 42.923 0.860 1
1 210 . 14 1 1 A 18 18 PHE N N 18 113.767 118.927 -5.160 1
1 211 . 14 1 1 A 19 19 ILE H H 19 9.615 8.924 0.691 1
1 212 . 14 1 1 A 19 19 ILE HA H 19 4.679 4.717 -0.038 1
1 222 . 14 1 1 A 19 19 ILE C C 19 174.894 175.415 -0.521 1
1 223 . 14 1 1 A 19 19 ILE CA C 19 58.585 60.164 -1.579 1
1 224 . 14 1 1 A 19 19 ILE CB C 19 43.854 41.012 2.842 1
1 228 . 14 1 1 A 19 19 ILE N N 19 122.746 123.025 -0.279 1
1 229 . 14 1 1 A 20 20 LYS H H 20 8.971 8.671 0.300 1
1 230 . 14 1 1 A 20 20 LYS HA H 20 5.241 4.817 0.424 1
1 239 . 14 1 1 A 20 20 LYS C C 20 177.413 176.104 1.309 1
1 240 . 14 1 1 A 20 20 LYS CA C 20 54.622 56.185 -1.563 1
1 241 . 14 1 1 A 20 20 LYS CB C 20 33.070 33.156 -0.086 1
1 245 . 14 1 1 A 20 20 LYS N N 20 127.450 127.458 -0.008 1
1 246 . 14 1 1 A 21 21 ASP H H 21 9.363 9.401 -0.038 1
1 247 . 14 1 1 A 21 21 ASP HA H 21 5.241 5.016 0.225 1
1 250 . 14 1 1 A 21 21 ASP C C 21 178.431 177.780 0.651 1
1 251 . 14 1 1 A 21 21 ASP CA C 21 52.981 53.334 -0.353 1
1 252 . 14 1 1 A 21 21 ASP CB C 21 44.583 42.572 2.011 1
1 253 . 14 1 1 A 21 21 ASP N N 21 129.797 125.803 3.994 1
1 254 . 14 1 1 A 22 22 GLU H H 22 8.127 8.808 -0.681 1
1 255 . 14 1 1 A 22 22 GLU HA H 22 4.264 4.125 0.139 1
1 260 . 14 1 1 A 22 22 GLU C C 22 176.226 178.581 -2.355 1
1 261 . 14 1 1 A 22 22 GLU CA C 22 57.515 58.733 -1.218 1
1 262 . 14 1 1 A 22 22 GLU CB C 22 29.830 29.750 0.080 1
1 264 . 14 1 1 A 22 22 GLU N N 22 115.545 122.567 -7.022 1
1 265 . 14 1 1 A 23 23 ASN H H 23 8.606 7.921 0.685 1
1 266 . 14 1 1 A 23 23 ASN HA H 23 4.963 4.792 0.171 1
1 271 . 14 1 1 A 23 23 ASN C C 23 175.582 175.349 0.233 1
1 272 . 14 1 1 A 23 23 ASN CA C 23 52.968 53.303 -0.335 1
1 273 . 14 1 1 A 23 23 ASN CB C 23 39.172 38.732 0.440 1
1 274 . 14 1 1 A 23 23 ASN N N 23 118.707 115.657 3.050 1
1 276 . 14 1 1 A 24 24 GLY H H 24 8.451 8.241 0.210 1
1 277 . 14 1 1 A 24 24 GLY HA2 H 24 4.323 4.016 0.307 1
1 278 . 14 1 1 A 24 24 GLY HA3 H 24 3.484 4.019 -0.535 1
1 279 . 14 1 1 A 24 24 GLY C C 24 174.121 173.520 0.601 1
1 280 . 14 1 1 A 24 24 GLY CA C 24 44.816 45.067 -0.251 1
1 281 . 14 1 1 A 24 24 GLY N N 24 108.999 106.269 2.730 1
1 282 . 14 1 1 A 25 25 ASP H H 25 8.326 7.916 0.410 1
1 283 . 14 1 1 A 25 25 ASP HA H 25 4.792 5.047 -0.255 1
1 286 . 14 1 1 A 25 25 ASP C C 25 173.047 175.074 -2.027 1
1 287 . 14 1 1 A 25 25 ASP CA C 25 54.677 52.057 2.620 1
1 288 . 14 1 1 A 25 25 ASP CB C 25 41.577 43.510 -1.933 1
1 289 . 14 1 1 A 25 25 ASP N N 25 121.814 122.009 -0.195 1
1 290 . 14 1 1 A 26 26 ASN H H 26 8.503 8.787 -0.284 1
1 291 . 14 1 1 A 26 26 ASN HA H 26 5.607 6.155 -0.548 1
1 296 . 14 1 1 A 26 26 ASN C C 26 175.496 174.596 0.900 1
1 297 . 14 1 1 A 26 26 ASN CA C 26 52.290 51.863 0.427 1
1 298 . 14 1 1 A 26 26 ASN CB C 26 40.017 41.087 -1.070 1
1 299 . 14 1 1 A 26 26 ASN N N 26 119.224 119.037 0.187 1
1 301 . 14 1 1 A 27 27 ARG H H 27 9.884 8.674 1.210 1
1 302 . 14 1 1 A 27 27 ARG HA H 27 4.720 4.826 -0.106 1
1 309 . 14 1 1 A 27 27 ARG C C 27 174.665 175.188 -0.523 1
1 310 . 14 1 1 A 27 27 ARG CA C 27 54.314 55.234 -0.920 1
1 311 . 14 1 1 A 27 27 ARG CB C 27 33.562 32.004 1.558 1
1 314 . 14 1 1 A 27 27 ARG N N 27 122.242 122.118 0.124 1
1 315 . 14 1 1 A 28 28 TYR H H 28 8.314 9.420 -1.106 1
1 316 . 14 1 1 A 28 28 TYR HA H 28 4.365 4.957 -0.592 1
1 323 . 14 1 1 A 28 28 TYR C C 28 174.765 174.379 0.386 1
1 324 . 14 1 1 A 28 28 TYR CA C 28 58.102 57.086 1.016 1
1 325 . 14 1 1 A 28 28 TYR CB C 28 39.606 39.131 0.475 1
1 328 . 14 1 1 A 28 28 TYR N N 28 126.908 123.504 3.404 1
1 329 . 14 1 1 A 29 29 PHE H H 29 7.873 9.357 -1.484 1
1 330 . 14 1 1 A 29 29 PHE HA H 29 5.159 5.100 0.059 1
1 338 . 14 1 1 A 29 29 PHE C C 29 169.840 175.156 -5.316 1
1 339 . 14 1 1 A 29 29 PHE CA C 29 56.025 56.820 -0.795 1
1 340 . 14 1 1 A 29 29 PHE CB C 29 42.454 41.455 0.999 1
1 344 . 14 1 1 A 29 29 PHE N N 29 124.137 126.749 -2.612 1
1 345 . 14 1 1 A 30 30 HIS H H 30 8.255 8.787 -0.532 1
1 346 . 14 1 1 A 30 30 HIS HA H 30 4.819 5.333 -0.514 1
1 351 . 14 1 1 A 30 30 HIS C C 30 176.598 175.293 1.305 1
1 352 . 14 1 1 A 30 30 HIS CA C 30 55.040 56.416 -1.376 1
1 353 . 14 1 1 A 30 30 HIS CB C 30 35.066 33.222 1.844 1
1 356 . 14 1 1 A 30 30 HIS N N 30 119.922 120.698 -0.776 1
1 357 . 14 1 1 A 31 31 VAL H H 31 8.390 9.318 -0.928 1
1 358 . 14 1 1 A 31 31 VAL HA H 31 3.911 3.900 0.011 1
1 366 . 14 1 1 A 31 31 VAL C C 31 176.713 177.076 -0.363 1
1 367 . 14 1 1 A 31 31 VAL CA C 31 65.423 65.435 -0.012 1
1 368 . 14 1 1 A 31 31 VAL CB C 31 32.354 31.826 0.528 1
1 371 . 14 1 1 A 31 31 VAL N N 31 126.977 124.802 2.175 1
1 372 . 14 1 1 A 32 32 ILE H H 32 10.207 7.813 2.394 1
1 373 . 14 1 1 A 32 32 ILE HA H 32 4.397 3.848 0.549 1
1 383 . 14 1 1 A 32 32 ILE C C 32 177.414 177.061 0.353 1
1 384 . 14 1 1 A 32 32 ILE CA C 32 63.601 62.854 0.747 1
1 385 . 14 1 1 A 32 32 ILE CB C 32 38.023 37.514 0.509 1
1 389 . 14 1 1 A 32 32 ILE N N 32 123.360 120.668 2.692 1
1 390 . 14 1 1 A 33 33 LYS H H 33 8.435 7.755 0.680 1
1 391 . 14 1 1 A 33 33 LYS HA H 33 4.734 4.550 0.184 1
1 400 . 14 1 1 A 33 33 LYS C C 33 175.037 175.180 -0.143 1
1 401 . 14 1 1 A 33 33 LYS CA C 33 54.046 55.949 -1.903 1
1 402 . 14 1 1 A 33 33 LYS CB C 33 31.743 33.331 -1.588 1
1 406 . 14 1 1 A 33 33 LYS N N 33 118.502 119.488 -0.986 1
1 407 . 14 1 1 A 34 34 VAL H H 34 7.750 7.800 -0.050 1
1 408 . 14 1 1 A 34 34 VAL HA H 34 4.672 4.286 0.386 1
1 416 . 14 1 1 A 34 34 VAL C C 34 175.911 175.960 -0.049 1
1 417 . 14 1 1 A 34 34 VAL CA C 34 60.255 61.703 -1.448 1
1 418 . 14 1 1 A 34 34 VAL CB C 34 32.064 32.847 -0.783 1
1 421 . 14 1 1 A 34 34 VAL N N 34 120.487 121.125 -0.638 1
1 422 . 14 1 1 A 35 35 ALA H H 35 9.109 9.046 0.063 1
1 423 . 14 1 1 A 35 35 ALA HA H 35 4.143 4.275 -0.132 1
1 427 . 14 1 1 A 35 35 ALA C C 35 177.887 177.811 0.076 1
1 428 . 14 1 1 A 35 35 ALA CA C 35 54.562 54.088 0.474 1
1 429 . 14 1 1 A 35 35 ALA CB C 35 18.880 19.345 -0.465 1
1 430 . 14 1 1 A 35 35 ALA N N 35 129.552 128.236 1.316 1
1 431 . 14 1 1 A 36 36 ASN H H 36 8.169 8.024 0.145 1
1 432 . 14 1 1 A 36 36 ASN HA H 36 5.108 5.095 0.013 1
1 437 . 14 1 1 A 36 36 ASN CA C 36 50.333 50.728 -0.395 1
1 438 . 14 1 1 A 36 36 ASN CB C 36 35.521 38.439 -2.918 1
1 439 . 14 1 1 A 36 36 ASN N N 36 112.302 114.527 -2.225 1
1 441 . 14 1 1 A 37 37 PRO HA H 37 3.891 4.207 -0.316 1
1 448 . 14 1 1 A 37 37 PRO C C 37 177.715 177.518 0.197 1
1 449 . 14 1 1 A 37 37 PRO CA C 37 64.104 64.324 -0.220 1
1 450 . 14 1 1 A 37 37 PRO CB C 37 32.380 31.945 0.435 1
1 453 . 14 1 1 A 38 38 ASP H H 38 8.843 8.293 0.550 1
1 454 . 14 1 1 A 38 38 ASP HA H 38 4.350 4.546 -0.196 1
1 457 . 14 1 1 A 38 38 ASP C C 38 176.942 176.968 -0.026 1
1 458 . 14 1 1 A 38 38 ASP CA C 38 56.035 55.905 0.130 1
1 459 . 14 1 1 A 38 38 ASP CB C 38 39.249 40.582 -1.333 1
1 460 . 14 1 1 A 38 38 ASP N N 38 118.913 117.447 1.466 1
1 461 . 14 1 1 A 39 39 LEU H H 39 7.548 7.260 0.288 1
1 462 . 14 1 1 A 39 39 LEU HA H 39 4.268 4.174 0.094 1
1 472 . 14 1 1 A 39 39 LEU C C 39 176.727 176.501 0.226 1
1 473 . 14 1 1 A 39 39 LEU CA C 39 54.091 54.130 -0.039 1
1 474 . 14 1 1 A 39 39 LEU CB C 39 41.404 41.297 0.107 1
1 478 . 14 1 1 A 39 39 LEU N N 39 117.047 116.553 0.494 1
1 479 . 14 1 1 A 40 40 ILE H H 40 7.047 7.185 -0.138 1
1 480 . 14 1 1 A 40 40 ILE HA H 40 2.710 3.724 -1.014 1
1 490 . 14 1 1 A 40 40 ILE C C 40 174.794 175.003 -0.209 1
1 491 . 14 1 1 A 40 40 ILE CA C 40 64.352 60.883 3.469 1
1 492 . 14 1 1 A 40 40 ILE CB C 40 37.301 36.712 0.589 1
1 496 . 14 1 1 A 40 40 ILE N N 40 118.412 121.434 -3.022 1
1 497 . 14 1 1 A 41 41 LYS H H 41 6.395 8.607 -2.212 1
1 498 . 14 1 1 A 41 41 LYS HA H 41 4.246 4.733 -0.487 1
1 507 . 14 1 1 A 41 41 LYS C C 41 174.422 175.004 -0.582 1
1 508 . 14 1 1 A 41 41 LYS CA C 41 54.521 53.862 0.659 1
1 509 . 14 1 1 A 41 41 LYS CB C 41 35.426 35.640 -0.214 1
1 513 . 14 1 1 A 41 41 LYS N N 41 122.843 128.358 -5.515 1
1 514 . 14 1 1 A 42 42 LYS H H 42 8.788 8.609 0.179 1
1 515 . 14 1 1 A 42 42 LYS HA H 42 3.603 4.317 -0.714 1
1 524 . 14 1 1 A 42 42 LYS C C 42 176.169 176.898 -0.729 1
1 525 . 14 1 1 A 42 42 LYS CA C 42 59.038 55.979 3.059 1
1 526 . 14 1 1 A 42 42 LYS CB C 42 31.981 33.543 -1.562 1
1 530 . 14 1 1 A 42 42 LYS N N 42 122.219 121.465 0.754 1
1 531 . 14 1 1 A 43 43 ASP H H 43 9.183 9.030 0.153 1
1 532 . 14 1 1 A 43 43 ASP HA H 43 4.191 4.260 -0.069 1
1 535 . 14 1 1 A 43 43 ASP C C 43 174.866 174.927 -0.061 1
1 536 . 14 1 1 A 43 43 ASP CA C 43 57.064 55.576 1.488 1
1 537 . 14 1 1 A 43 43 ASP CB C 43 38.724 40.476 -1.752 1
1 538 . 14 1 1 A 43 43 ASP N N 43 119.807 122.634 -2.827 1
1 539 . 14 1 1 A 44 44 ALA H H 44 7.669 7.766 -0.097 1
1 540 . 14 1 1 A 44 44 ALA HA H 44 4.273 4.498 -0.225 1
1 544 . 14 1 1 A 44 44 ALA C C 44 176.197 177.632 -1.435 1
1 545 . 14 1 1 A 44 44 ALA CA C 44 52.503 51.645 0.858 1
1 546 . 14 1 1 A 44 44 ALA CB C 44 19.511 20.185 -0.674 1
1 547 . 14 1 1 A 44 44 ALA N N 44 121.785 122.377 -0.592 1
1 548 . 14 1 1 A 45 45 ALA H H 45 8.522 8.659 -0.137 1
1 549 . 14 1 1 A 45 45 ALA HA H 45 4.820 5.255 -0.435 1
1 553 . 14 1 1 A 45 45 ALA C C 45 177.128 177.133 -0.005 1
1 554 . 14 1 1 A 45 45 ALA CA C 45 51.512 50.682 0.830 1
1 555 . 14 1 1 A 45 45 ALA CB C 45 19.306 21.432 -2.126 1
1 556 . 14 1 1 A 45 45 ALA N N 45 125.014 123.396 1.618 1
1 557 . 14 1 1 A 46 46 VAL H H 46 8.358 9.265 -0.907 1
1 558 . 14 1 1 A 46 46 VAL HA H 46 5.659 4.984 0.675 1
1 566 . 14 1 1 A 46 46 VAL C C 46 177.199 174.502 2.697 1
1 567 . 14 1 1 A 46 46 VAL CA C 46 57.919 59.365 -1.446 1
1 568 . 14 1 1 A 46 46 VAL CB C 46 36.362 35.772 0.590 1
1 571 . 14 1 1 A 46 46 VAL N N 46 109.774 115.331 -5.557 1
1 572 . 14 1 1 A 47 47 THR H H 47 8.902 9.181 -0.279 1
1 573 . 14 1 1 A 47 47 THR HA H 47 5.462 5.129 0.333 1
1 578 . 14 1 1 A 47 47 THR C C 47 173.405 173.490 -0.085 1
1 579 . 14 1 1 A 47 47 THR CA C 47 60.139 59.836 0.303 1
1 580 . 14 1 1 A 47 47 THR CB C 47 71.233 71.247 -0.014 1
1 582 . 14 1 1 A 47 47 THR N N 47 112.758 113.239 -0.481 1
1 583 . 14 1 1 A 48 48 PHE H H 48 8.423 8.200 0.223 1
1 584 . 14 1 1 A 48 48 PHE HA H 48 5.099 5.028 0.071 1
1 591 . 14 1 1 A 48 48 PHE C C 48 172.231 172.118 0.113 1
1 592 . 14 1 1 A 48 48 PHE CA C 48 56.390 55.922 0.468 1
1 593 . 14 1 1 A 48 48 PHE CB C 48 41.169 40.981 0.188 1
1 596 . 14 1 1 A 48 48 PHE N N 48 115.866 118.278 -2.412 1
1 597 . 14 1 1 A 49 49 GLU H H 49 8.622 8.578 0.044 1
1 598 . 14 1 1 A 49 49 GLU HA H 49 4.907 4.764 0.143 1
1 603 . 14 1 1 A 49 49 GLU CA C 49 51.497 53.261 -1.764 1
1 604 . 14 1 1 A 49 49 GLU CB C 49 28.890 30.009 -1.119 1
1 606 . 14 1 1 A 49 49 GLU N N 49 117.484 119.869 -2.385 1
1 607 . 14 1 1 A 50 50 PRO HA H 50 4.829 5.101 -0.272 1
1 614 . 14 1 1 A 50 50 PRO C C 50 175.925 175.206 0.719 1
1 615 . 14 1 1 A 50 50 PRO CA C 50 62.593 62.254 0.339 1
1 616 . 14 1 1 A 50 50 PRO CB C 50 32.917 32.244 0.673 1
1 619 . 14 1 1 A 51 51 THR H H 51 7.621 8.535 -0.914 1
1 620 . 14 1 1 A 51 51 THR HA H 51 4.742 4.899 -0.157 1
1 625 . 14 1 1 A 51 51 THR C C 51 172.074 172.608 -0.534 1
1 626 . 14 1 1 A 51 51 THR CA C 51 60.558 60.522 0.036 1
1 627 . 14 1 1 A 51 51 THR CB C 51 68.841 70.221 -1.380 1
1 629 . 14 1 1 A 51 51 THR N N 51 112.909 116.961 -4.052 1
1 630 . 14 1 1 A 52 52 THR H H 52 8.367 8.793 -0.426 1
1 631 . 14 1 1 A 52 52 THR HA H 52 4.975 5.071 -0.096 1
1 636 . 14 1 1 A 52 52 THR C C 52 173.047 174.695 -1.648 1
1 637 . 14 1 1 A 52 52 THR CA C 52 60.794 60.507 0.287 1
1 638 . 14 1 1 A 52 52 THR CB C 52 71.210 71.683 -0.473 1
1 640 . 14 1 1 A 52 52 THR N N 52 117.260 115.326 1.934 1
1 641 . 14 1 1 A 53 53 ASN H H 53 8.827 8.749 0.078 1
1 642 . 14 1 1 A 53 53 ASN HA H 53 4.756 4.908 -0.152 1
1 647 . 14 1 1 A 53 53 ASN CA C 53 53.430 52.883 0.547 1
1 648 . 14 1 1 A 53 53 ASN CB C 53 38.660 38.376 0.284 1
1 649 . 14 1 1 A 53 53 ASN N N 53 122.737 121.031 1.706 1
1 651 . 14 1 1 A 54 54 ASN HA H 54 4.420 4.584 -0.164 1
1 656 . 14 1 1 A 54 54 ASN C C 54 176.154 176.310 -0.156 1
1 657 . 14 1 1 A 54 54 ASN CA C 54 55.580 54.966 0.614 1
1 658 . 14 1 1 A 54 54 ASN CB C 54 36.917 38.258 -1.341 1
1 660 . 14 1 1 A 55 55 LYS H H 55 8.190 8.658 -0.468 1
1 661 . 14 1 1 A 55 55 LYS HA H 55 4.225 4.050 0.175 1
1 670 . 14 1 1 A 55 55 LYS C C 55 176.154 176.614 -0.460 1
1 671 . 14 1 1 A 55 55 LYS CA C 55 55.113 57.885 -2.772 1
1 672 . 14 1 1 A 55 55 LYS CB C 55 31.703 32.911 -1.208 1
1 676 . 14 1 1 A 55 55 LYS N N 55 117.935 116.745 1.190 1
1 677 . 14 1 1 A 56 56 GLY H H 56 7.966 7.307 0.659 1
1 678 . 14 1 1 A 56 56 GLY HA2 H 56 4.496 4.054 0.442 1
1 679 . 14 1 1 A 56 56 GLY HA3 H 56 3.794 4.061 -0.267 1
1 680 . 14 1 1 A 56 56 GLY C C 56 173.262 171.775 1.487 1
1 681 . 14 1 1 A 56 56 GLY CA C 56 44.177 45.563 -1.386 1
1 682 . 14 1 1 A 56 56 GLY N N 56 108.898 104.440 4.458 1
1 683 . 14 1 1 A 57 57 LEU H H 57 8.716 8.722 -0.006 1
1 684 . 14 1 1 A 57 57 LEU HA H 57 4.442 4.583 -0.141 1
1 694 . 14 1 1 A 57 57 LEU C C 57 178.488 176.083 2.405 1
1 695 . 14 1 1 A 57 57 LEU CA C 57 56.424 55.371 1.053 1
1 696 . 14 1 1 A 57 57 LEU CB C 57 42.582 42.267 0.315 1
1 700 . 14 1 1 A 57 57 LEU N N 57 122.286 122.704 -0.418 1
1 701 . 14 1 1 A 58 58 SER H H 58 9.033 8.606 0.427 1
1 702 . 14 1 1 A 58 58 SER HA H 58 5.696 4.863 0.833 1
1 705 . 14 1 1 A 58 58 SER C C 58 173.820 172.481 1.339 1
1 706 . 14 1 1 A 58 58 SER CA C 58 56.715 56.982 -0.267 1
1 707 . 14 1 1 A 58 58 SER CB C 58 65.779 66.703 -0.924 1
1 708 . 14 1 1 A 58 58 SER N N 58 117.913 116.616 1.297 1
1 709 . 14 1 1 A 59 59 ALA H H 59 8.775 8.275 0.500 1
1 710 . 14 1 1 A 59 59 ALA HA H 59 5.409 5.283 0.126 1
1 714 . 14 1 1 A 59 59 ALA C C 59 174.966 175.559 -0.593 1
1 715 . 14 1 1 A 59 59 ALA CA C 59 50.783 50.457 0.326 1
1 716 . 14 1 1 A 59 59 ALA CB C 59 23.985 22.900 1.085 1
1 717 . 14 1 1 A 59 59 ALA N N 59 125.556 122.005 3.551 1
1 718 . 14 1 1 A 60 60 TYR H H 60 9.347 8.132 1.215 1
1 719 . 14 1 1 A 60 60 TYR HA H 60 5.030 5.136 -0.106 1
1 726 . 14 1 1 A 60 60 TYR C C 60 171.673 174.185 -2.512 1
1 727 . 14 1 1 A 60 60 TYR CA C 60 55.484 55.776 -0.292 1
1 728 . 14 1 1 A 60 60 TYR CB C 60 39.502 41.380 -1.878 1
1 731 . 14 1 1 A 60 60 TYR N N 60 118.946 117.553 1.393 1
1 732 . 14 1 1 A 61 61 ALA H H 61 9.176 8.677 0.499 1
1 733 . 14 1 1 A 61 61 ALA HA H 61 4.116 3.961 0.155 1
1 737 . 14 1 1 A 61 61 ALA C C 61 175.825 176.756 -0.931 1
1 738 . 14 1 1 A 61 61 ALA CA C 61 52.809 53.097 -0.288 1
1 739 . 14 1 1 A 61 61 ALA CB C 61 16.597 17.487 -0.890 1
1 740 . 14 1 1 A 61 61 ALA N N 61 124.113 120.647 3.466 1
1 741 . 14 1 1 A 62 62 VAL H H 62 7.968 8.034 -0.066 1
1 742 . 14 1 1 A 62 62 VAL HA H 62 4.300 4.332 -0.032 1
1 750 . 14 1 1 A 62 62 VAL C C 62 175.395 175.990 -0.595 1
1 751 . 14 1 1 A 62 62 VAL CA C 62 62.252 63.099 -0.847 1
1 752 . 14 1 1 A 62 62 VAL CB C 62 31.435 31.735 -0.300 1
1 755 . 14 1 1 A 62 62 VAL N N 62 116.561 118.484 -1.923 1
1 756 . 14 1 1 A 63 63 LYS H H 63 9.208 9.356 -0.148 1
1 757 . 14 1 1 A 63 63 LYS HA H 63 4.633 4.758 -0.125 1
1 766 . 14 1 1 A 63 63 LYS C C 63 175.238 175.842 -0.604 1
1 767 . 14 1 1 A 63 63 LYS CA C 63 54.729 54.856 -0.127 1
1 768 . 14 1 1 A 63 63 LYS CB C 63 34.859 34.816 0.043 1
1 772 . 14 1 1 A 63 63 LYS N N 63 128.892 128.276 0.616 1
1 773 . 14 1 1 A 64 64 VAL H H 64 9.588 9.198 0.390 1
1 774 . 14 1 1 A 64 64 VAL HA H 64 4.345 4.243 0.102 1
1 782 . 14 1 1 A 64 64 VAL C C 64 176.856 175.706 1.150 1
1 783 . 14 1 1 A 64 64 VAL CA C 64 62.563 62.595 -0.032 1
1 784 . 14 1 1 A 64 64 VAL CB C 64 30.916 32.077 -1.161 1
1 787 . 14 1 1 A 64 64 VAL N N 64 126.595 124.937 1.658 1
1 788 . 14 1 1 A 65 65 VAL H H 65 8.597 8.663 -0.066 1
1 789 . 14 1 1 A 65 65 VAL HA H 65 4.370 4.556 -0.186 1
1 797 . 14 1 1 A 65 65 VAL CA C 65 62.480 59.354 3.126 1
1 798 . 14 1 1 A 65 65 VAL CB C 65 32.436 31.807 0.629 1
1 801 . 14 1 1 A 65 65 VAL N N 65 127.945 126.208 1.737 1
1 802 . 14 1 1 A 66 66 PRO HA H 66 4.385 4.697 -0.312 1
1 809 . 14 1 1 A 66 66 PRO C C 66 176.627 177.462 -0.835 1
1 810 . 14 1 1 A 66 66 PRO CA C 66 62.511 62.542 -0.031 1
1 811 . 14 1 1 A 66 66 PRO CB C 66 31.875 32.070 -0.195 1
1 814 . 14 1 1 A 67 67 LEU H H 67 8.236 8.941 -0.705 1
1 815 . 14 1 1 A 67 67 LEU HA H 67 4.181 4.135 0.046 1
1 825 . 14 1 1 A 67 67 LEU C C 67 177.357 176.872 0.485 1
1 826 . 14 1 1 A 67 67 LEU CA C 67 55.352 57.482 -2.130 1
1 827 . 14 1 1 A 67 67 LEU CB C 67 42.355 42.496 -0.141 1
1 831 . 14 1 1 A 67 67 LEU N N 67 122.691 120.217 2.474 1
1 832 . 14 1 1 A 68 68 GLU H H 68 8.432 7.995 0.437 1
1 833 . 14 1 1 A 68 68 GLU HA H 68 4.184 4.800 -0.616 1
1 838 . 14 1 1 A 68 68 GLU C C 68 176.054 174.468 1.586 1
1 839 . 14 1 1 A 68 68 GLU CA C 68 56.250 55.616 0.634 1
1 840 . 14 1 1 A 68 68 GLU CB C 68 30.077 33.064 -2.987 1
1 842 . 14 1 1 A 68 68 GLU N N 68 121.298 114.939 6.359 1
1 843 . 14 1 1 A 69 69 HIS H H 69 8.303 8.582 -0.279 1
1 844 . 14 1 1 A 69 69 HIS HA H 69 4.517 4.789 -0.272 1
1 849 . 14 1 1 A 69 69 HIS C C 69 173.863 173.449 0.414 1
1 850 . 14 1 1 A 69 69 HIS CA C 69 55.663 54.935 0.728 1
1 851 . 14 1 1 A 69 69 HIS CB C 69 29.904 30.012 -0.108 1
1 1 . 15 1 1 A 2 2 ALA HA H 2 3.908 4.171 -0.263 1
1 5 . 15 1 1 A 2 2 ALA C C 2 174.665 176.019 -1.354 1
1 6 . 15 1 1 A 2 2 ALA CA C 2 51.696 52.984 -1.288 1
1 7 . 15 1 1 A 2 2 ALA CB C 2 19.380 18.106 1.274 1
1 8 . 15 1 1 A 3 3 MET H H 3 8.516 8.624 -0.108 1
1 9 . 15 1 1 A 3 3 MET HA H 3 4.349 5.011 -0.662 1
1 17 . 15 1 1 A 3 3 MET C C 3 173.119 174.500 -1.381 1
1 18 . 15 1 1 A 3 3 MET CA C 3 54.457 53.828 0.629 1
1 19 . 15 1 1 A 3 3 MET CB C 3 37.020 35.290 1.730 1
1 22 . 15 1 1 A 3 3 MET N N 3 118.958 123.207 -4.249 1
1 23 . 15 1 1 A 4 4 ASN H H 4 8.627 8.797 -0.170 1
1 24 . 15 1 1 A 4 4 ASN HA H 4 5.470 5.799 -0.329 1
1 29 . 15 1 1 A 4 4 ASN C C 4 175.782 173.732 2.050 1
1 30 . 15 1 1 A 4 4 ASN CA C 4 52.043 51.429 0.614 1
1 31 . 15 1 1 A 4 4 ASN CB C 4 41.102 41.632 -0.530 1
1 32 . 15 1 1 A 4 4 ASN N N 4 116.608 118.534 -1.926 1
1 34 . 15 1 1 A 5 5 GLY H H 5 8.444 8.803 -0.359 1
1 35 . 15 1 1 A 5 5 GLY HA2 H 5 4.652 4.432 0.220 1
1 36 . 15 1 1 A 5 5 GLY HA3 H 5 3.710 4.640 -0.930 1
1 37 . 15 1 1 A 5 5 GLY C C 5 171.487 171.977 -0.490 1
1 38 . 15 1 1 A 5 5 GLY CA C 5 46.682 45.540 1.142 1
1 39 . 15 1 1 A 5 5 GLY N N 5 104.747 108.768 -4.021 1
1 40 . 15 1 1 A 6 6 THR H H 6 8.303 9.090 -0.787 1
1 41 . 15 1 1 A 6 6 THR HA H 6 5.193 5.257 -0.064 1
1 46 . 15 1 1 A 6 6 THR C C 6 173.634 173.757 -0.123 1
1 47 . 15 1 1 A 6 6 THR CA C 6 60.367 61.266 -0.899 1
1 48 . 15 1 1 A 6 6 THR CB C 6 72.071 71.301 0.770 1
1 50 . 15 1 1 A 6 6 THR N N 6 114.893 114.809 0.084 1
1 51 . 15 1 1 A 7 7 ILE H H 7 8.887 9.102 -0.215 1
1 52 . 15 1 1 A 7 7 ILE HA H 7 4.189 3.970 0.219 1
1 62 . 15 1 1 A 7 7 ILE C C 7 175.782 176.915 -1.133 1
1 63 . 15 1 1 A 7 7 ILE CA C 7 62.394 62.099 0.295 1
1 64 . 15 1 1 A 7 7 ILE CB C 7 37.461 36.980 0.481 1
1 68 . 15 1 1 A 7 7 ILE N N 7 125.014 127.343 -2.329 1
1 69 . 15 1 1 A 8 8 THR H H 8 8.968 8.575 0.393 1
1 70 . 15 1 1 A 8 8 THR HA H 8 4.583 4.518 0.065 1
1 75 . 15 1 1 A 8 8 THR C C 8 175.352 174.229 1.123 1
1 76 . 15 1 1 A 8 8 THR CA C 8 62.547 62.333 0.214 1
1 77 . 15 1 1 A 8 8 THR CB C 8 69.324 69.808 -0.484 1
1 79 . 15 1 1 A 8 8 THR N N 8 123.264 119.075 4.189 1
1 80 . 15 1 1 A 9 9 THR H H 9 7.744 7.880 -0.136 1
1 81 . 15 1 1 A 9 9 THR HA H 9 4.408 5.062 -0.654 1
1 86 . 15 1 1 A 9 9 THR C C 9 171.759 172.953 -1.194 1
1 87 . 15 1 1 A 9 9 THR CA C 9 61.370 61.708 -0.338 1
1 88 . 15 1 1 A 9 9 THR CB C 9 72.472 70.823 1.649 1
1 90 . 15 1 1 A 9 9 THR N N 9 116.608 114.174 2.434 1
1 91 . 15 1 1 A 10 10 TRP H H 10 8.620 8.387 0.233 1
1 92 . 15 1 1 A 10 10 TRP HA H 10 4.844 4.997 -0.153 1
1 101 . 15 1 1 A 10 10 TRP C C 10 172.833 173.921 -1.088 1
1 102 . 15 1 1 A 10 10 TRP CA C 10 55.471 56.799 -1.328 1
1 103 . 15 1 1 A 10 10 TRP CB C 10 32.843 33.056 -0.213 1
1 109 . 15 1 1 A 10 10 TRP N N 10 126.095 127.542 -1.447 1
1 111 . 15 1 1 A 11 11 PHE H H 11 7.892 8.459 -0.567 1
1 112 . 15 1 1 A 11 11 PHE HA H 11 4.508 4.765 -0.257 1
1 120 . 15 1 1 A 11 11 PHE C C 11 174.493 175.262 -0.769 1
1 121 . 15 1 1 A 11 11 PHE CA C 11 54.001 55.717 -1.716 1
1 122 . 15 1 1 A 11 11 PHE CB C 11 36.906 39.578 -2.672 1
1 126 . 15 1 1 A 11 11 PHE N N 11 127.953 125.791 2.162 1
1 127 . 15 1 1 A 12 12 LYS H H 12 7.844 8.262 -0.418 1
1 128 . 15 1 1 A 12 12 LYS HA H 12 2.844 3.453 -0.609 1
1 137 . 15 1 1 A 12 12 LYS C C 12 177.701 177.070 0.631 1
1 138 . 15 1 1 A 12 12 LYS CA C 12 59.164 60.150 -0.986 1
1 139 . 15 1 1 A 12 12 LYS CB C 12 32.427 32.247 0.180 1
1 143 . 15 1 1 A 12 12 LYS N N 12 125.042 125.793 -0.751 1
1 144 . 15 1 1 A 13 13 ASP H H 13 8.638 8.024 0.614 1
1 145 . 15 1 1 A 13 13 ASP HA H 13 4.281 4.340 -0.059 1
1 148 . 15 1 1 A 13 13 ASP C C 13 176.827 178.684 -1.857 1
1 149 . 15 1 1 A 13 13 ASP CA C 13 55.401 57.547 -2.146 1
1 150 . 15 1 1 A 13 13 ASP CB C 13 39.349 41.376 -2.027 1
1 151 . 15 1 1 A 13 13 ASP N N 13 114.668 119.115 -4.447 1
1 152 . 15 1 1 A 14 14 LYS H H 14 6.965 7.664 -0.699 1
1 153 . 15 1 1 A 14 14 LYS HA H 14 4.425 4.058 0.367 1
1 162 . 15 1 1 A 14 14 LYS C C 14 176.913 176.570 0.343 1
1 163 . 15 1 1 A 14 14 LYS CA C 14 55.288 57.059 -1.771 1
1 164 . 15 1 1 A 14 14 LYS CB C 14 34.562 32.865 1.697 1
1 168 . 15 1 1 A 14 14 LYS N N 14 116.507 115.914 0.593 1
1 169 . 15 1 1 A 15 15 GLY H H 15 7.619 8.027 -0.408 1
1 170 . 15 1 1 A 15 15 GLY HA2 H 15 3.875 3.498 0.377 1
1 171 . 15 1 1 A 15 15 GLY HA3 H 15 3.499 3.626 -0.127 1
1 172 . 15 1 1 A 15 15 GLY C C 15 171.358 173.972 -2.614 1
1 173 . 15 1 1 A 15 15 GLY CA C 15 46.020 44.694 1.326 1
1 174 . 15 1 1 A 15 15 GLY N N 15 107.093 106.204 0.889 1
1 175 . 15 1 1 A 16 16 PHE H H 16 6.663 7.742 -1.079 1
1 176 . 15 1 1 A 16 16 PHE HA H 16 4.866 4.211 0.655 1
1 183 . 15 1 1 A 16 16 PHE C C 16 171.472 175.269 -3.797 1
1 184 . 15 1 1 A 16 16 PHE CA C 16 54.765 56.665 -1.900 1
1 185 . 15 1 1 A 16 16 PHE CB C 16 41.805 40.848 0.957 1
1 188 . 15 1 1 A 16 16 PHE N N 16 112.369 119.204 -6.835 1
1 189 . 15 1 1 A 17 17 GLY H H 17 7.436 7.898 -0.462 1
1 190 . 15 1 1 A 17 17 GLY HA2 H 17 3.951 4.331 -0.380 1
1 191 . 15 1 1 A 17 17 GLY HA3 H 17 3.399 4.631 -1.232 1
1 192 . 15 1 1 A 17 17 GLY C C 17 169.926 171.350 -1.424 1
1 193 . 15 1 1 A 17 17 GLY CA C 17 45.073 45.439 -0.366 1
1 194 . 15 1 1 A 17 17 GLY N N 17 105.719 108.722 -3.003 1
1 195 . 15 1 1 A 18 18 PHE H H 18 8.505 9.475 -0.970 1
1 196 . 15 1 1 A 18 18 PHE HA H 18 5.728 5.531 0.197 1
1 204 . 15 1 1 A 18 18 PHE C C 18 175.023 175.028 -0.005 1
1 205 . 15 1 1 A 18 18 PHE CA C 18 56.493 56.053 0.440 1
1 206 . 15 1 1 A 18 18 PHE CB C 18 43.783 42.634 1.149 1
1 210 . 15 1 1 A 18 18 PHE N N 18 113.767 119.384 -5.617 1
1 211 . 15 1 1 A 19 19 ILE H H 19 9.615 8.907 0.708 1
1 212 . 15 1 1 A 19 19 ILE HA H 19 4.679 4.730 -0.051 1
1 222 . 15 1 1 A 19 19 ILE C C 19 174.894 174.074 0.820 1
1 223 . 15 1 1 A 19 19 ILE CA C 19 58.585 60.033 -1.448 1
1 224 . 15 1 1 A 19 19 ILE CB C 19 43.854 41.786 2.068 1
1 228 . 15 1 1 A 19 19 ILE N N 19 122.746 123.160 -0.414 1
1 229 . 15 1 1 A 20 20 LYS H H 20 8.971 8.602 0.369 1
1 230 . 15 1 1 A 20 20 LYS HA H 20 5.241 5.273 -0.032 1
1 239 . 15 1 1 A 20 20 LYS C C 20 177.413 176.133 1.280 1
1 240 . 15 1 1 A 20 20 LYS CA C 20 54.622 54.871 -0.249 1
1 241 . 15 1 1 A 20 20 LYS CB C 20 33.070 35.110 -2.040 1
1 245 . 15 1 1 A 20 20 LYS N N 20 127.450 128.445 -0.995 1
1 246 . 15 1 1 A 21 21 ASP H H 21 9.363 8.673 0.690 1
1 247 . 15 1 1 A 21 21 ASP HA H 21 5.241 5.041 0.200 1
1 250 . 15 1 1 A 21 21 ASP C C 21 178.431 177.591 0.840 1
1 251 . 15 1 1 A 21 21 ASP CA C 21 52.981 52.529 0.452 1
1 252 . 15 1 1 A 21 21 ASP CB C 21 44.583 41.617 2.966 1
1 253 . 15 1 1 A 21 21 ASP N N 21 129.797 125.736 4.061 1
1 254 . 15 1 1 A 22 22 GLU H H 22 8.127 8.468 -0.341 1
1 255 . 15 1 1 A 22 22 GLU HA H 22 4.264 4.308 -0.044 1
1 260 . 15 1 1 A 22 22 GLU C C 22 176.226 177.209 -0.983 1
1 261 . 15 1 1 A 22 22 GLU CA C 22 57.515 58.105 -0.590 1
1 262 . 15 1 1 A 22 22 GLU CB C 22 29.830 29.576 0.254 1
1 264 . 15 1 1 A 22 22 GLU N N 22 115.545 117.901 -2.356 1
1 265 . 15 1 1 A 23 23 ASN H H 23 8.606 8.341 0.265 1
1 266 . 15 1 1 A 23 23 ASN HA H 23 4.963 4.906 0.057 1
1 271 . 15 1 1 A 23 23 ASN C C 23 175.582 176.566 -0.984 1
1 272 . 15 1 1 A 23 23 ASN CA C 23 52.968 54.400 -1.432 1
1 273 . 15 1 1 A 23 23 ASN CB C 23 39.172 40.053 -0.881 1
1 274 . 15 1 1 A 23 23 ASN N N 23 118.707 118.365 0.342 1
1 276 . 15 1 1 A 24 24 GLY H H 24 8.451 8.555 -0.104 1
1 277 . 15 1 1 A 24 24 GLY HA2 H 24 4.323 4.137 0.186 1
1 278 . 15 1 1 A 24 24 GLY HA3 H 24 3.484 4.154 -0.670 1
1 279 . 15 1 1 A 24 24 GLY C C 24 174.121 172.682 1.439 1
1 280 . 15 1 1 A 24 24 GLY CA C 24 44.816 45.301 -0.485 1
1 281 . 15 1 1 A 24 24 GLY N N 24 108.999 106.614 2.385 1
1 282 . 15 1 1 A 25 25 ASP H H 25 8.326 8.132 0.194 1
1 283 . 15 1 1 A 25 25 ASP HA H 25 4.792 5.138 -0.346 1
1 286 . 15 1 1 A 25 25 ASP C C 25 173.047 174.836 -1.789 1
1 287 . 15 1 1 A 25 25 ASP CA C 25 54.677 53.115 1.562 1
1 288 . 15 1 1 A 25 25 ASP CB C 25 41.577 44.783 -3.206 1
1 289 . 15 1 1 A 25 25 ASP N N 25 121.814 120.760 1.054 1
1 290 . 15 1 1 A 26 26 ASN H H 26 8.503 8.596 -0.093 1
1 291 . 15 1 1 A 26 26 ASN HA H 26 5.607 5.297 0.310 1
1 296 . 15 1 1 A 26 26 ASN C C 26 175.496 175.472 0.024 1
1 297 . 15 1 1 A 26 26 ASN CA C 26 52.290 53.524 -1.234 1
1 298 . 15 1 1 A 26 26 ASN CB C 26 40.017 39.026 0.991 1
1 299 . 15 1 1 A 26 26 ASN N N 26 119.224 119.067 0.157 1
1 301 . 15 1 1 A 27 27 ARG H H 27 9.884 9.168 0.716 1
1 302 . 15 1 1 A 27 27 ARG HA H 27 4.720 4.952 -0.232 1
1 309 . 15 1 1 A 27 27 ARG C C 27 174.665 175.189 -0.524 1
1 310 . 15 1 1 A 27 27 ARG CA C 27 54.314 54.578 -0.264 1
1 311 . 15 1 1 A 27 27 ARG CB C 27 33.562 32.963 0.599 1
1 314 . 15 1 1 A 27 27 ARG N N 27 122.242 123.825 -1.583 1
1 315 . 15 1 1 A 28 28 TYR H H 28 8.314 9.716 -1.402 1
1 316 . 15 1 1 A 28 28 TYR HA H 28 4.365 4.747 -0.382 1
1 323 . 15 1 1 A 28 28 TYR C C 28 174.765 174.290 0.475 1
1 324 . 15 1 1 A 28 28 TYR CA C 28 58.102 58.217 -0.115 1
1 325 . 15 1 1 A 28 28 TYR CB C 28 39.606 39.121 0.485 1
1 328 . 15 1 1 A 28 28 TYR N N 28 126.908 123.944 2.964 1
1 329 . 15 1 1 A 29 29 PHE H H 29 7.873 9.326 -1.453 1
1 330 . 15 1 1 A 29 29 PHE HA H 29 5.159 5.023 0.136 1
1 338 . 15 1 1 A 29 29 PHE C C 29 169.840 174.448 -4.608 1
1 339 . 15 1 1 A 29 29 PHE CA C 29 56.025 56.467 -0.442 1
1 340 . 15 1 1 A 29 29 PHE CB C 29 42.454 42.010 0.444 1
1 344 . 15 1 1 A 29 29 PHE N N 29 124.137 126.020 -1.883 1
1 345 . 15 1 1 A 30 30 HIS H H 30 8.255 8.669 -0.414 1
1 346 . 15 1 1 A 30 30 HIS HA H 30 4.819 5.142 -0.323 1
1 351 . 15 1 1 A 30 30 HIS C C 30 176.598 175.243 1.355 1
1 352 . 15 1 1 A 30 30 HIS CA C 30 55.040 55.785 -0.745 1
1 353 . 15 1 1 A 30 30 HIS CB C 30 35.066 32.742 2.324 1
1 356 . 15 1 1 A 30 30 HIS N N 30 119.922 121.686 -1.764 1
1 357 . 15 1 1 A 31 31 VAL H H 31 8.390 9.142 -0.752 1
1 358 . 15 1 1 A 31 31 VAL HA H 31 3.911 4.205 -0.294 1
1 366 . 15 1 1 A 31 31 VAL C C 31 176.713 177.115 -0.402 1
1 367 . 15 1 1 A 31 31 VAL CA C 31 65.423 65.405 0.018 1
1 368 . 15 1 1 A 31 31 VAL CB C 31 32.354 31.973 0.381 1
1 371 . 15 1 1 A 31 31 VAL N N 31 126.977 125.271 1.706 1
1 372 . 15 1 1 A 32 32 ILE H H 32 10.207 7.766 2.441 1
1 373 . 15 1 1 A 32 32 ILE HA H 32 4.397 3.971 0.426 1
1 383 . 15 1 1 A 32 32 ILE C C 32 177.414 177.097 0.317 1
1 384 . 15 1 1 A 32 32 ILE CA C 32 63.601 62.831 0.770 1
1 385 . 15 1 1 A 32 32 ILE CB C 32 38.023 37.677 0.346 1
1 389 . 15 1 1 A 32 32 ILE N N 32 123.360 120.165 3.195 1
1 390 . 15 1 1 A 33 33 LYS H H 33 8.435 7.791 0.644 1
1 391 . 15 1 1 A 33 33 LYS HA H 33 4.734 4.480 0.254 1
1 400 . 15 1 1 A 33 33 LYS C C 33 175.037 175.658 -0.621 1
1 401 . 15 1 1 A 33 33 LYS CA C 33 54.046 55.916 -1.870 1
1 402 . 15 1 1 A 33 33 LYS CB C 33 31.743 33.209 -1.466 1
1 406 . 15 1 1 A 33 33 LYS N N 33 118.502 119.484 -0.982 1
1 407 . 15 1 1 A 34 34 VAL H H 34 7.750 7.734 0.016 1
1 408 . 15 1 1 A 34 34 VAL HA H 34 4.672 4.334 0.338 1
1 416 . 15 1 1 A 34 34 VAL C C 34 175.911 176.106 -0.195 1
1 417 . 15 1 1 A 34 34 VAL CA C 34 60.255 61.701 -1.446 1
1 418 . 15 1 1 A 34 34 VAL CB C 34 32.064 32.847 -0.783 1
1 421 . 15 1 1 A 34 34 VAL N N 34 120.487 120.955 -0.468 1
1 422 . 15 1 1 A 35 35 ALA H H 35 9.109 9.166 -0.057 1
1 423 . 15 1 1 A 35 35 ALA HA H 35 4.143 4.233 -0.090 1
1 427 . 15 1 1 A 35 35 ALA C C 35 177.887 177.759 0.128 1
1 428 . 15 1 1 A 35 35 ALA CA C 35 54.562 54.198 0.364 1
1 429 . 15 1 1 A 35 35 ALA CB C 35 18.880 19.218 -0.338 1
1 430 . 15 1 1 A 35 35 ALA N N 35 129.552 127.961 1.591 1
1 431 . 15 1 1 A 36 36 ASN H H 36 8.169 8.030 0.139 1
1 432 . 15 1 1 A 36 36 ASN HA H 36 5.108 5.104 0.004 1
1 437 . 15 1 1 A 36 36 ASN CA C 36 50.333 50.763 -0.430 1
1 438 . 15 1 1 A 36 36 ASN CB C 36 35.521 38.386 -2.865 1
1 439 . 15 1 1 A 36 36 ASN N N 36 112.302 114.865 -2.563 1
1 441 . 15 1 1 A 37 37 PRO HA H 37 3.891 4.273 -0.382 1
1 448 . 15 1 1 A 37 37 PRO C C 37 177.715 177.364 0.351 1
1 449 . 15 1 1 A 37 37 PRO CA C 37 64.104 64.266 -0.162 1
1 450 . 15 1 1 A 37 37 PRO CB C 37 32.380 31.919 0.461 1
1 453 . 15 1 1 A 38 38 ASP H H 38 8.843 8.341 0.502 1
1 454 . 15 1 1 A 38 38 ASP HA H 38 4.350 4.506 -0.156 1
1 457 . 15 1 1 A 38 38 ASP C C 38 176.942 176.972 -0.030 1
1 458 . 15 1 1 A 38 38 ASP CA C 38 56.035 56.291 -0.256 1
1 459 . 15 1 1 A 38 38 ASP CB C 38 39.249 40.551 -1.302 1
1 460 . 15 1 1 A 38 38 ASP N N 38 118.913 117.369 1.544 1
1 461 . 15 1 1 A 39 39 LEU H H 39 7.548 7.141 0.407 1
1 462 . 15 1 1 A 39 39 LEU HA H 39 4.268 4.353 -0.085 1
1 472 . 15 1 1 A 39 39 LEU C C 39 176.727 176.626 0.101 1
1 473 . 15 1 1 A 39 39 LEU CA C 39 54.091 54.096 -0.005 1
1 474 . 15 1 1 A 39 39 LEU CB C 39 41.404 41.420 -0.016 1
1 478 . 15 1 1 A 39 39 LEU N N 39 117.047 116.595 0.452 1
1 479 . 15 1 1 A 40 40 ILE H H 40 7.047 7.215 -0.168 1
1 480 . 15 1 1 A 40 40 ILE HA H 40 2.710 3.739 -1.029 1
1 490 . 15 1 1 A 40 40 ILE C C 40 174.794 176.105 -1.311 1
1 491 . 15 1 1 A 40 40 ILE CA C 40 64.352 61.485 2.867 1
1 492 . 15 1 1 A 40 40 ILE CB C 40 37.301 37.246 0.055 1
1 496 . 15 1 1 A 40 40 ILE N N 40 118.412 121.444 -3.032 1
1 497 . 15 1 1 A 41 41 LYS H H 41 6.395 8.669 -2.274 1
1 498 . 15 1 1 A 41 41 LYS HA H 41 4.246 4.818 -0.572 1
1 507 . 15 1 1 A 41 41 LYS C C 41 174.422 175.014 -0.592 1
1 508 . 15 1 1 A 41 41 LYS CA C 41 54.521 54.024 0.497 1
1 509 . 15 1 1 A 41 41 LYS CB C 41 35.426 36.512 -1.086 1
1 513 . 15 1 1 A 41 41 LYS N N 41 122.843 126.204 -3.361 1
1 514 . 15 1 1 A 42 42 LYS H H 42 8.788 8.505 0.283 1
1 515 . 15 1 1 A 42 42 LYS HA H 42 3.603 3.884 -0.281 1
1 524 . 15 1 1 A 42 42 LYS C C 42 176.169 176.835 -0.666 1
1 525 . 15 1 1 A 42 42 LYS CA C 42 59.038 57.931 1.107 1
1 526 . 15 1 1 A 42 42 LYS CB C 42 31.981 32.511 -0.530 1
1 530 . 15 1 1 A 42 42 LYS N N 42 122.219 122.507 -0.288 1
1 531 . 15 1 1 A 43 43 ASP H H 43 9.183 9.187 -0.004 1
1 532 . 15 1 1 A 43 43 ASP HA H 43 4.191 4.278 -0.087 1
1 535 . 15 1 1 A 43 43 ASP C C 43 174.866 175.030 -0.164 1
1 536 . 15 1 1 A 43 43 ASP CA C 43 57.064 55.531 1.533 1
1 537 . 15 1 1 A 43 43 ASP CB C 43 38.724 40.505 -1.781 1
1 538 . 15 1 1 A 43 43 ASP N N 43 119.807 125.693 -5.886 1
1 539 . 15 1 1 A 44 44 ALA H H 44 7.669 7.357 0.312 1
1 540 . 15 1 1 A 44 44 ALA HA H 44 4.273 4.443 -0.170 1
1 544 . 15 1 1 A 44 44 ALA C C 44 176.197 177.186 -0.989 1
1 545 . 15 1 1 A 44 44 ALA CA C 44 52.503 51.924 0.579 1
1 546 . 15 1 1 A 44 44 ALA CB C 44 19.511 20.145 -0.634 1
1 547 . 15 1 1 A 44 44 ALA N N 44 121.785 123.067 -1.282 1
1 548 . 15 1 1 A 45 45 ALA H H 45 8.522 8.445 0.077 1
1 549 . 15 1 1 A 45 45 ALA HA H 45 4.820 5.217 -0.397 1
1 553 . 15 1 1 A 45 45 ALA C C 45 177.128 177.192 -0.064 1
1 554 . 15 1 1 A 45 45 ALA CA C 45 51.512 51.043 0.469 1
1 555 . 15 1 1 A 45 45 ALA CB C 45 19.306 20.540 -1.234 1
1 556 . 15 1 1 A 45 45 ALA N N 45 125.014 123.370 1.644 1
1 557 . 15 1 1 A 46 46 VAL H H 46 8.358 9.154 -0.796 1
1 558 . 15 1 1 A 46 46 VAL HA H 46 5.659 5.182 0.477 1
1 566 . 15 1 1 A 46 46 VAL C C 46 177.199 174.721 2.478 1
1 567 . 15 1 1 A 46 46 VAL CA C 46 57.919 59.310 -1.391 1
1 568 . 15 1 1 A 46 46 VAL CB C 46 36.362 35.816 0.546 1
1 571 . 15 1 1 A 46 46 VAL N N 46 109.774 116.208 -6.434 1
1 572 . 15 1 1 A 47 47 THR H H 47 8.902 9.150 -0.248 1
1 573 . 15 1 1 A 47 47 THR HA H 47 5.462 5.713 -0.251 1
1 578 . 15 1 1 A 47 47 THR C C 47 173.405 173.774 -0.369 1
1 579 . 15 1 1 A 47 47 THR CA C 47 60.139 59.680 0.459 1
1 580 . 15 1 1 A 47 47 THR CB C 47 71.233 71.296 -0.063 1
1 582 . 15 1 1 A 47 47 THR N N 47 112.758 115.694 -2.936 1
1 583 . 15 1 1 A 48 48 PHE H H 48 8.423 8.695 -0.272 1
1 584 . 15 1 1 A 48 48 PHE HA H 48 5.099 5.115 -0.016 1
1 591 . 15 1 1 A 48 48 PHE C C 48 172.231 172.202 0.029 1
1 592 . 15 1 1 A 48 48 PHE CA C 48 56.390 55.914 0.476 1
1 593 . 15 1 1 A 48 48 PHE CB C 48 41.169 41.031 0.138 1
1 596 . 15 1 1 A 48 48 PHE N N 48 115.866 118.496 -2.630 1
1 597 . 15 1 1 A 49 49 GLU H H 49 8.622 8.978 -0.356 1
1 598 . 15 1 1 A 49 49 GLU HA H 49 4.907 4.936 -0.029 1
1 603 . 15 1 1 A 49 49 GLU CA C 49 51.497 53.345 -1.848 1
1 604 . 15 1 1 A 49 49 GLU CB C 49 28.890 30.606 -1.716 1
1 606 . 15 1 1 A 49 49 GLU N N 49 117.484 120.270 -2.786 1
1 607 . 15 1 1 A 50 50 PRO HA H 50 4.829 5.086 -0.257 1
1 614 . 15 1 1 A 50 50 PRO C C 50 175.925 175.101 0.824 1
1 615 . 15 1 1 A 50 50 PRO CA C 50 62.593 62.368 0.225 1
1 616 . 15 1 1 A 50 50 PRO CB C 50 32.917 32.319 0.598 1
1 619 . 15 1 1 A 51 51 THR H H 51 7.621 8.552 -0.931 1
1 620 . 15 1 1 A 51 51 THR HA H 51 4.742 4.735 0.007 1
1 625 . 15 1 1 A 51 51 THR C C 51 172.074 172.078 -0.004 1
1 626 . 15 1 1 A 51 51 THR CA C 51 60.558 60.209 0.349 1
1 627 . 15 1 1 A 51 51 THR CB C 51 68.841 69.942 -1.101 1
1 629 . 15 1 1 A 51 51 THR N N 51 112.909 115.989 -3.080 1
1 630 . 15 1 1 A 52 52 THR H H 52 8.367 8.518 -0.151 1
1 631 . 15 1 1 A 52 52 THR HA H 52 4.975 5.022 -0.047 1
1 636 . 15 1 1 A 52 52 THR C C 52 173.047 174.149 -1.102 1
1 637 . 15 1 1 A 52 52 THR CA C 52 60.794 59.219 1.575 1
1 638 . 15 1 1 A 52 52 THR CB C 52 71.210 71.157 0.053 1
1 640 . 15 1 1 A 52 52 THR N N 52 117.260 114.551 2.709 1
1 641 . 15 1 1 A 53 53 ASN H H 53 8.827 9.409 -0.582 1
1 642 . 15 1 1 A 53 53 ASN HA H 53 4.756 4.867 -0.111 1
1 647 . 15 1 1 A 53 53 ASN CA C 53 53.430 52.070 1.360 1
1 648 . 15 1 1 A 53 53 ASN CB C 53 38.660 38.511 0.149 1
1 649 . 15 1 1 A 53 53 ASN N N 53 122.737 122.043 0.694 1
1 651 . 15 1 1 A 54 54 ASN HA H 54 4.420 4.620 -0.200 1
1 656 . 15 1 1 A 54 54 ASN C C 54 176.154 175.468 0.686 1
1 657 . 15 1 1 A 54 54 ASN CA C 54 55.580 54.998 0.582 1
1 658 . 15 1 1 A 54 54 ASN CB C 54 36.917 38.252 -1.335 1
1 660 . 15 1 1 A 55 55 LYS H H 55 8.190 8.548 -0.358 1
1 661 . 15 1 1 A 55 55 LYS HA H 55 4.225 4.472 -0.247 1
1 670 . 15 1 1 A 55 55 LYS C C 55 176.154 175.635 0.519 1
1 671 . 15 1 1 A 55 55 LYS CA C 55 55.113 55.339 -0.226 1
1 672 . 15 1 1 A 55 55 LYS CB C 55 31.703 32.953 -1.250 1
1 676 . 15 1 1 A 55 55 LYS N N 55 117.935 116.445 1.490 1
1 677 . 15 1 1 A 56 56 GLY H H 56 7.966 7.350 0.616 1
1 678 . 15 1 1 A 56 56 GLY HA2 H 56 4.496 4.094 0.402 1
1 679 . 15 1 1 A 56 56 GLY HA3 H 56 3.794 4.096 -0.302 1
1 680 . 15 1 1 A 56 56 GLY C C 56 173.262 171.598 1.664 1
1 681 . 15 1 1 A 56 56 GLY CA C 56 44.177 45.342 -1.165 1
1 682 . 15 1 1 A 56 56 GLY N N 56 108.898 107.636 1.262 1
1 683 . 15 1 1 A 57 57 LEU H H 57 8.716 8.460 0.256 1
1 684 . 15 1 1 A 57 57 LEU HA H 57 4.442 4.933 -0.491 1
1 694 . 15 1 1 A 57 57 LEU C C 57 178.488 175.343 3.145 1
1 695 . 15 1 1 A 57 57 LEU CA C 57 56.424 53.878 2.546 1
1 696 . 15 1 1 A 57 57 LEU CB C 57 42.582 43.650 -1.068 1
1 700 . 15 1 1 A 57 57 LEU N N 57 122.286 122.566 -0.280 1
1 701 . 15 1 1 A 58 58 SER H H 58 9.033 8.820 0.213 1
1 702 . 15 1 1 A 58 58 SER HA H 58 5.696 5.008 0.688 1
1 705 . 15 1 1 A 58 58 SER C C 58 173.820 172.194 1.626 1
1 706 . 15 1 1 A 58 58 SER CA C 58 56.715 56.794 -0.079 1
1 707 . 15 1 1 A 58 58 SER CB C 58 65.779 66.531 -0.752 1
1 708 . 15 1 1 A 58 58 SER N N 58 117.913 116.417 1.496 1
1 709 . 15 1 1 A 59 59 ALA H H 59 8.775 7.678 1.097 1
1 710 . 15 1 1 A 59 59 ALA HA H 59 5.409 5.311 0.098 1
1 714 . 15 1 1 A 59 59 ALA C C 59 174.966 175.209 -0.243 1
1 715 . 15 1 1 A 59 59 ALA CA C 59 50.783 49.958 0.825 1
1 716 . 15 1 1 A 59 59 ALA CB C 59 23.985 22.696 1.289 1
1 717 . 15 1 1 A 59 59 ALA N N 59 125.556 122.313 3.243 1
1 718 . 15 1 1 A 60 60 TYR H H 60 9.347 8.773 0.574 1
1 719 . 15 1 1 A 60 60 TYR HA H 60 5.030 4.907 0.123 1
1 726 . 15 1 1 A 60 60 TYR C C 60 171.673 175.268 -3.595 1
1 727 . 15 1 1 A 60 60 TYR CA C 60 55.484 57.351 -1.867 1
1 728 . 15 1 1 A 60 60 TYR CB C 60 39.502 41.270 -1.768 1
1 731 . 15 1 1 A 60 60 TYR N N 60 118.946 119.693 -0.747 1
1 732 . 15 1 1 A 61 61 ALA H H 61 9.176 8.600 0.576 1
1 733 . 15 1 1 A 61 61 ALA HA H 61 4.116 3.958 0.158 1
1 737 . 15 1 1 A 61 61 ALA C C 61 175.825 176.665 -0.840 1
1 738 . 15 1 1 A 61 61 ALA CA C 61 52.809 52.988 -0.179 1
1 739 . 15 1 1 A 61 61 ALA CB C 61 16.597 17.382 -0.785 1
1 740 . 15 1 1 A 61 61 ALA N N 61 124.113 121.282 2.831 1
1 741 . 15 1 1 A 62 62 VAL H H 62 7.968 8.039 -0.071 1
1 742 . 15 1 1 A 62 62 VAL HA H 62 4.300 4.242 0.058 1
1 750 . 15 1 1 A 62 62 VAL C C 62 175.395 174.930 0.465 1
1 751 . 15 1 1 A 62 62 VAL CA C 62 62.252 63.045 -0.793 1
1 752 . 15 1 1 A 62 62 VAL CB C 62 31.435 31.420 0.015 1
1 755 . 15 1 1 A 62 62 VAL N N 62 116.561 118.530 -1.969 1
1 756 . 15 1 1 A 63 63 LYS H H 63 9.208 9.270 -0.062 1
1 757 . 15 1 1 A 63 63 LYS HA H 63 4.633 4.967 -0.334 1
1 766 . 15 1 1 A 63 63 LYS C C 63 175.238 175.096 0.142 1
1 767 . 15 1 1 A 63 63 LYS CA C 63 54.729 55.048 -0.319 1
1 768 . 15 1 1 A 63 63 LYS CB C 63 34.859 34.050 0.809 1
1 772 . 15 1 1 A 63 63 LYS N N 63 128.892 128.909 -0.017 1
1 773 . 15 1 1 A 64 64 VAL H H 64 9.588 9.107 0.481 1
1 774 . 15 1 1 A 64 64 VAL HA H 64 4.345 4.453 -0.108 1
1 782 . 15 1 1 A 64 64 VAL C C 64 176.856 175.406 1.450 1
1 783 . 15 1 1 A 64 64 VAL CA C 64 62.563 62.294 0.269 1
1 784 . 15 1 1 A 64 64 VAL CB C 64 30.916 32.449 -1.533 1
1 787 . 15 1 1 A 64 64 VAL N N 64 126.595 127.697 -1.102 1
1 788 . 15 1 1 A 65 65 VAL H H 65 8.597 9.169 -0.572 1
1 789 . 15 1 1 A 65 65 VAL HA H 65 4.370 4.573 -0.203 1
1 797 . 15 1 1 A 65 65 VAL CA C 65 62.480 59.381 3.099 1
1 798 . 15 1 1 A 65 65 VAL CB C 65 32.436 32.039 0.397 1
1 801 . 15 1 1 A 65 65 VAL N N 65 127.945 127.439 0.506 1
1 802 . 15 1 1 A 66 66 PRO HA H 66 4.385 4.623 -0.238 1
1 809 . 15 1 1 A 66 66 PRO C C 66 176.627 177.469 -0.842 1
1 810 . 15 1 1 A 66 66 PRO CA C 66 62.511 62.505 0.006 1
1 811 . 15 1 1 A 66 66 PRO CB C 66 31.875 32.739 -0.864 1
1 814 . 15 1 1 A 67 67 LEU H H 67 8.236 8.335 -0.099 1
1 815 . 15 1 1 A 67 67 LEU HA H 67 4.181 4.082 0.099 1
1 825 . 15 1 1 A 67 67 LEU C C 67 177.357 176.740 0.617 1
1 826 . 15 1 1 A 67 67 LEU CA C 67 55.352 56.424 -1.072 1
1 827 . 15 1 1 A 67 67 LEU CB C 67 42.355 42.102 0.253 1
1 831 . 15 1 1 A 67 67 LEU N N 67 122.691 119.304 3.387 1
1 832 . 15 1 1 A 68 68 GLU H H 68 8.432 7.771 0.661 1
1 833 . 15 1 1 A 68 68 GLU HA H 68 4.184 4.631 -0.447 1
1 838 . 15 1 1 A 68 68 GLU C C 68 176.054 174.000 2.054 1
1 839 . 15 1 1 A 68 68 GLU CA C 68 56.250 55.831 0.419 1
1 840 . 15 1 1 A 68 68 GLU CB C 68 30.077 33.356 -3.279 1
1 842 . 15 1 1 A 68 68 GLU N N 68 121.298 118.498 2.800 1
1 843 . 15 1 1 A 69 69 HIS H H 69 8.303 8.869 -0.566 1
1 844 . 15 1 1 A 69 69 HIS HA H 69 4.517 4.868 -0.351 1
1 849 . 15 1 1 A 69 69 HIS C C 69 173.863 173.783 0.080 1
1 850 . 15 1 1 A 69 69 HIS CA C 69 55.663 54.175 1.488 1
1 851 . 15 1 1 A 69 69 HIS CB C 69 29.904 29.101 0.803 1
1 1 . 16 1 1 A 2 2 ALA HA H 2 3.908 4.438 -0.530 1
1 5 . 16 1 1 A 2 2 ALA C C 2 174.665 177.510 -2.845 1
1 6 . 16 1 1 A 2 2 ALA CA C 2 51.696 52.596 -0.900 1
1 7 . 16 1 1 A 2 2 ALA CB C 2 19.380 19.187 0.193 1
1 8 . 16 1 1 A 3 3 MET H H 3 8.516 9.059 -0.543 1
1 9 . 16 1 1 A 3 3 MET HA H 3 4.349 5.103 -0.754 1
1 17 . 16 1 1 A 3 3 MET C C 3 173.119 174.375 -1.256 1
1 18 . 16 1 1 A 3 3 MET CA C 3 54.457 53.957 0.500 1
1 19 . 16 1 1 A 3 3 MET CB C 3 37.020 35.738 1.282 1
1 22 . 16 1 1 A 3 3 MET N N 3 118.958 121.713 -2.755 1
1 23 . 16 1 1 A 4 4 ASN H H 4 8.627 8.577 0.050 1
1 24 . 16 1 1 A 4 4 ASN HA H 4 5.470 5.585 -0.115 1
1 29 . 16 1 1 A 4 4 ASN C C 4 175.782 174.322 1.460 1
1 30 . 16 1 1 A 4 4 ASN CA C 4 52.043 51.560 0.483 1
1 31 . 16 1 1 A 4 4 ASN CB C 4 41.102 41.078 0.024 1
1 32 . 16 1 1 A 4 4 ASN N N 4 116.608 116.674 -0.066 1
1 34 . 16 1 1 A 5 5 GLY H H 5 8.444 8.750 -0.306 1
1 35 . 16 1 1 A 5 5 GLY HA2 H 5 4.652 4.437 0.215 1
1 36 . 16 1 1 A 5 5 GLY HA3 H 5 3.710 4.638 -0.928 1
1 37 . 16 1 1 A 5 5 GLY C C 5 171.487 171.783 -0.296 1
1 38 . 16 1 1 A 5 5 GLY CA C 5 46.682 44.729 1.953 1
1 39 . 16 1 1 A 5 5 GLY N N 5 104.747 109.109 -4.362 1
1 40 . 16 1 1 A 6 6 THR H H 6 8.303 9.425 -1.122 1
1 41 . 16 1 1 A 6 6 THR HA H 6 5.193 5.253 -0.060 1
1 46 . 16 1 1 A 6 6 THR C C 6 173.634 174.012 -0.378 1
1 47 . 16 1 1 A 6 6 THR CA C 6 60.367 61.277 -0.910 1
1 48 . 16 1 1 A 6 6 THR CB C 6 72.071 70.986 1.085 1
1 50 . 16 1 1 A 6 6 THR N N 6 114.893 115.047 -0.154 1
1 51 . 16 1 1 A 7 7 ILE H H 7 8.887 8.889 -0.002 1
1 52 . 16 1 1 A 7 7 ILE HA H 7 4.189 4.037 0.152 1
1 62 . 16 1 1 A 7 7 ILE C C 7 175.782 176.884 -1.102 1
1 63 . 16 1 1 A 7 7 ILE CA C 7 62.394 61.865 0.529 1
1 64 . 16 1 1 A 7 7 ILE CB C 7 37.461 36.904 0.557 1
1 68 . 16 1 1 A 7 7 ILE N N 7 125.014 127.292 -2.278 1
1 69 . 16 1 1 A 8 8 THR H H 8 8.968 8.738 0.230 1
1 70 . 16 1 1 A 8 8 THR HA H 8 4.583 4.567 0.016 1
1 75 . 16 1 1 A 8 8 THR C C 8 175.352 174.778 0.574 1
1 76 . 16 1 1 A 8 8 THR CA C 8 62.547 62.473 0.074 1
1 77 . 16 1 1 A 8 8 THR CB C 8 69.324 69.764 -0.440 1
1 79 . 16 1 1 A 8 8 THR N N 8 123.264 119.338 3.926 1
1 80 . 16 1 1 A 9 9 THR H H 9 7.744 7.593 0.151 1
1 81 . 16 1 1 A 9 9 THR HA H 9 4.408 5.102 -0.694 1
1 86 . 16 1 1 A 9 9 THR C C 9 171.759 172.964 -1.205 1
1 87 . 16 1 1 A 9 9 THR CA C 9 61.370 61.688 -0.318 1
1 88 . 16 1 1 A 9 9 THR CB C 9 72.472 71.079 1.393 1
1 90 . 16 1 1 A 9 9 THR N N 9 116.608 114.419 2.189 1
1 91 . 16 1 1 A 10 10 TRP H H 10 8.620 8.540 0.080 1
1 92 . 16 1 1 A 10 10 TRP HA H 10 4.844 5.113 -0.269 1
1 101 . 16 1 1 A 10 10 TRP C C 10 172.833 174.637 -1.804 1
1 102 . 16 1 1 A 10 10 TRP CA C 10 55.471 55.616 -0.145 1
1 103 . 16 1 1 A 10 10 TRP CB C 10 32.843 32.294 0.549 1
1 109 . 16 1 1 A 10 10 TRP N N 10 126.095 128.141 -2.046 1
1 111 . 16 1 1 A 11 11 PHE H H 11 7.892 8.548 -0.656 1
1 112 . 16 1 1 A 11 11 PHE HA H 11 4.508 4.367 0.141 1
1 120 . 16 1 1 A 11 11 PHE C C 11 174.493 175.287 -0.794 1
1 121 . 16 1 1 A 11 11 PHE CA C 11 54.001 56.414 -2.413 1
1 122 . 16 1 1 A 11 11 PHE CB C 11 36.906 37.274 -0.368 1
1 126 . 16 1 1 A 11 11 PHE N N 11 127.953 126.109 1.844 1
1 127 . 16 1 1 A 12 12 LYS H H 12 7.844 8.006 -0.162 1
1 128 . 16 1 1 A 12 12 LYS HA H 12 2.844 3.513 -0.669 1
1 137 . 16 1 1 A 12 12 LYS C C 12 177.701 177.908 -0.207 1
1 138 . 16 1 1 A 12 12 LYS CA C 12 59.164 59.579 -0.415 1
1 139 . 16 1 1 A 12 12 LYS CB C 12 32.427 32.025 0.402 1
1 143 . 16 1 1 A 12 12 LYS N N 12 125.042 125.119 -0.077 1
1 144 . 16 1 1 A 13 13 ASP H H 13 8.638 7.996 0.642 1
1 145 . 16 1 1 A 13 13 ASP HA H 13 4.281 4.406 -0.125 1
1 148 . 16 1 1 A 13 13 ASP C C 13 176.827 178.150 -1.323 1
1 149 . 16 1 1 A 13 13 ASP CA C 13 55.401 56.775 -1.374 1
1 150 . 16 1 1 A 13 13 ASP CB C 13 39.349 40.225 -0.876 1
1 151 . 16 1 1 A 13 13 ASP N N 13 114.668 119.043 -4.375 1
1 152 . 16 1 1 A 14 14 LYS H H 14 6.965 7.253 -0.288 1
1 153 . 16 1 1 A 14 14 LYS HA H 14 4.425 4.207 0.218 1
1 162 . 16 1 1 A 14 14 LYS C C 14 176.913 176.433 0.480 1
1 163 . 16 1 1 A 14 14 LYS CA C 14 55.288 57.265 -1.977 1
1 164 . 16 1 1 A 14 14 LYS CB C 14 34.562 33.049 1.513 1
1 168 . 16 1 1 A 14 14 LYS N N 14 116.507 116.616 -0.109 1
1 169 . 16 1 1 A 15 15 GLY H H 15 7.619 8.034 -0.415 1
1 170 . 16 1 1 A 15 15 GLY HA2 H 15 3.875 3.914 -0.039 1
1 171 . 16 1 1 A 15 15 GLY HA3 H 15 3.499 4.074 -0.575 1
1 172 . 16 1 1 A 15 15 GLY C C 15 171.358 173.536 -2.178 1
1 173 . 16 1 1 A 15 15 GLY CA C 15 46.020 44.912 1.108 1
1 174 . 16 1 1 A 15 15 GLY N N 15 107.093 106.080 1.013 1
1 175 . 16 1 1 A 16 16 PHE H H 16 6.663 6.878 -0.215 1
1 176 . 16 1 1 A 16 16 PHE HA H 16 4.866 5.162 -0.296 1
1 183 . 16 1 1 A 16 16 PHE C C 16 171.472 173.399 -1.927 1
1 184 . 16 1 1 A 16 16 PHE CA C 16 54.765 55.000 -0.235 1
1 185 . 16 1 1 A 16 16 PHE CB C 16 41.805 41.977 -0.172 1
1 188 . 16 1 1 A 16 16 PHE N N 16 112.369 114.226 -1.857 1
1 189 . 16 1 1 A 17 17 GLY H H 17 7.436 8.526 -1.090 1
1 190 . 16 1 1 A 17 17 GLY HA2 H 17 3.951 4.367 -0.416 1
1 191 . 16 1 1 A 17 17 GLY HA3 H 17 3.399 4.647 -1.248 1
1 192 . 16 1 1 A 17 17 GLY C C 17 169.926 171.390 -1.464 1
1 193 . 16 1 1 A 17 17 GLY CA C 17 45.073 45.969 -0.896 1
1 194 . 16 1 1 A 17 17 GLY N N 17 105.719 106.340 -0.621 1
1 195 . 16 1 1 A 18 18 PHE H H 18 8.505 9.274 -0.769 1
1 196 . 16 1 1 A 18 18 PHE HA H 18 5.728 5.854 -0.126 1
1 204 . 16 1 1 A 18 18 PHE C C 18 175.023 174.958 0.065 1
1 205 . 16 1 1 A 18 18 PHE CA C 18 56.493 56.440 0.053 1
1 206 . 16 1 1 A 18 18 PHE CB C 18 43.783 43.200 0.583 1
1 210 . 16 1 1 A 18 18 PHE N N 18 113.767 118.499 -4.732 1
1 211 . 16 1 1 A 19 19 ILE H H 19 9.615 8.849 0.766 1
1 212 . 16 1 1 A 19 19 ILE HA H 19 4.679 4.734 -0.055 1
1 222 . 16 1 1 A 19 19 ILE C C 19 174.894 174.263 0.631 1
1 223 . 16 1 1 A 19 19 ILE CA C 19 58.585 59.707 -1.122 1
1 224 . 16 1 1 A 19 19 ILE CB C 19 43.854 41.825 2.029 1
1 228 . 16 1 1 A 19 19 ILE N N 19 122.746 122.715 0.031 1
1 229 . 16 1 1 A 20 20 LYS H H 20 8.971 8.941 0.030 1
1 230 . 16 1 1 A 20 20 LYS HA H 20 5.241 5.344 -0.103 1
1 239 . 16 1 1 A 20 20 LYS C C 20 177.413 175.964 1.449 1
1 240 . 16 1 1 A 20 20 LYS CA C 20 54.622 54.980 -0.358 1
1 241 . 16 1 1 A 20 20 LYS CB C 20 33.070 34.476 -1.406 1
1 245 . 16 1 1 A 20 20 LYS N N 20 127.450 127.903 -0.453 1
1 246 . 16 1 1 A 21 21 ASP H H 21 9.363 8.338 1.025 1
1 247 . 16 1 1 A 21 21 ASP HA H 21 5.241 5.114 0.127 1
1 250 . 16 1 1 A 21 21 ASP C C 21 178.431 177.749 0.682 1
1 251 . 16 1 1 A 21 21 ASP CA C 21 52.981 52.019 0.962 1
1 252 . 16 1 1 A 21 21 ASP CB C 21 44.583 42.485 2.098 1
1 253 . 16 1 1 A 21 21 ASP N N 21 129.797 125.962 3.835 1
1 254 . 16 1 1 A 22 22 GLU H H 22 8.127 8.716 -0.589 1
1 255 . 16 1 1 A 22 22 GLU HA H 22 4.264 4.077 0.187 1
1 260 . 16 1 1 A 22 22 GLU C C 22 176.226 178.471 -2.245 1
1 261 . 16 1 1 A 22 22 GLU CA C 22 57.515 59.422 -1.907 1
1 262 . 16 1 1 A 22 22 GLU CB C 22 29.830 29.228 0.602 1
1 264 . 16 1 1 A 22 22 GLU N N 22 115.545 117.993 -2.448 1
1 265 . 16 1 1 A 23 23 ASN H H 23 8.606 8.407 0.199 1
1 266 . 16 1 1 A 23 23 ASN HA H 23 4.963 4.701 0.262 1
1 271 . 16 1 1 A 23 23 ASN C C 23 175.582 176.008 -0.426 1
1 272 . 16 1 1 A 23 23 ASN CA C 23 52.968 53.336 -0.368 1
1 273 . 16 1 1 A 23 23 ASN CB C 23 39.172 38.706 0.466 1
1 274 . 16 1 1 A 23 23 ASN N N 23 118.707 115.802 2.905 1
1 276 . 16 1 1 A 24 24 GLY H H 24 8.451 8.642 -0.191 1
1 277 . 16 1 1 A 24 24 GLY HA2 H 24 4.323 3.933 0.390 1
1 278 . 16 1 1 A 24 24 GLY HA3 H 24 3.484 3.940 -0.456 1
1 279 . 16 1 1 A 24 24 GLY C C 24 174.121 173.105 1.016 1
1 280 . 16 1 1 A 24 24 GLY CA C 24 44.816 45.818 -1.002 1
1 281 . 16 1 1 A 24 24 GLY N N 24 108.999 109.401 -0.402 1
1 282 . 16 1 1 A 25 25 ASP H H 25 8.326 7.810 0.516 1
1 283 . 16 1 1 A 25 25 ASP HA H 25 4.792 5.157 -0.365 1
1 286 . 16 1 1 A 25 25 ASP C C 25 173.047 174.008 -0.961 1
1 287 . 16 1 1 A 25 25 ASP CA C 25 54.677 52.703 1.974 1
1 288 . 16 1 1 A 25 25 ASP CB C 25 41.577 44.211 -2.634 1
1 289 . 16 1 1 A 25 25 ASP N N 25 121.814 119.671 2.143 1
1 290 . 16 1 1 A 26 26 ASN H H 26 8.503 8.820 -0.317 1
1 291 . 16 1 1 A 26 26 ASN HA H 26 5.607 5.597 0.010 1
1 296 . 16 1 1 A 26 26 ASN C C 26 175.496 174.253 1.243 1
1 297 . 16 1 1 A 26 26 ASN CA C 26 52.290 51.973 0.317 1
1 298 . 16 1 1 A 26 26 ASN CB C 26 40.017 41.771 -1.754 1
1 299 . 16 1 1 A 26 26 ASN N N 26 119.224 119.152 0.072 1
1 301 . 16 1 1 A 27 27 ARG H H 27 9.884 9.298 0.586 1
1 302 . 16 1 1 A 27 27 ARG HA H 27 4.720 5.018 -0.298 1
1 309 . 16 1 1 A 27 27 ARG C C 27 174.665 175.256 -0.591 1
1 310 . 16 1 1 A 27 27 ARG CA C 27 54.314 54.873 -0.559 1
1 311 . 16 1 1 A 27 27 ARG CB C 27 33.562 32.880 0.682 1
1 314 . 16 1 1 A 27 27 ARG N N 27 122.242 126.313 -4.071 1
1 315 . 16 1 1 A 28 28 TYR H H 28 8.314 9.254 -0.940 1
1 316 . 16 1 1 A 28 28 TYR HA H 28 4.365 4.913 -0.548 1
1 323 . 16 1 1 A 28 28 TYR C C 28 174.765 174.293 0.472 1
1 324 . 16 1 1 A 28 28 TYR CA C 28 58.102 57.902 0.200 1
1 325 . 16 1 1 A 28 28 TYR CB C 28 39.606 38.997 0.609 1
1 328 . 16 1 1 A 28 28 TYR N N 28 126.908 123.891 3.017 1
1 329 . 16 1 1 A 29 29 PHE H H 29 7.873 9.389 -1.516 1
1 330 . 16 1 1 A 29 29 PHE HA H 29 5.159 5.158 0.001 1
1 338 . 16 1 1 A 29 29 PHE C C 29 169.840 174.874 -5.034 1
1 339 . 16 1 1 A 29 29 PHE CA C 29 56.025 56.513 -0.488 1
1 340 . 16 1 1 A 29 29 PHE CB C 29 42.454 41.811 0.643 1
1 344 . 16 1 1 A 29 29 PHE N N 29 124.137 126.581 -2.444 1
1 345 . 16 1 1 A 30 30 HIS H H 30 8.255 8.689 -0.434 1
1 346 . 16 1 1 A 30 30 HIS HA H 30 4.819 5.138 -0.319 1
1 351 . 16 1 1 A 30 30 HIS C C 30 176.598 175.147 1.451 1
1 352 . 16 1 1 A 30 30 HIS CA C 30 55.040 56.137 -1.097 1
1 353 . 16 1 1 A 30 30 HIS CB C 30 35.066 33.384 1.682 1
1 356 . 16 1 1 A 30 30 HIS N N 30 119.922 120.619 -0.697 1
1 357 . 16 1 1 A 31 31 VAL H H 31 8.390 9.276 -0.886 1
1 358 . 16 1 1 A 31 31 VAL HA H 31 3.911 3.868 0.043 1
1 366 . 16 1 1 A 31 31 VAL C C 31 176.713 177.056 -0.343 1
1 367 . 16 1 1 A 31 31 VAL CA C 31 65.423 65.406 0.017 1
1 368 . 16 1 1 A 31 31 VAL CB C 31 32.354 31.862 0.492 1
1 371 . 16 1 1 A 31 31 VAL N N 31 126.977 125.214 1.763 1
1 372 . 16 1 1 A 32 32 ILE H H 32 10.207 7.360 2.847 1
1 373 . 16 1 1 A 32 32 ILE HA H 32 4.397 3.764 0.633 1
1 383 . 16 1 1 A 32 32 ILE C C 32 177.414 176.955 0.459 1
1 384 . 16 1 1 A 32 32 ILE CA C 32 63.601 62.630 0.971 1
1 385 . 16 1 1 A 32 32 ILE CB C 32 38.023 37.378 0.645 1
1 389 . 16 1 1 A 32 32 ILE N N 32 123.360 120.066 3.294 1
1 390 . 16 1 1 A 33 33 LYS H H 33 8.435 7.618 0.817 1
1 391 . 16 1 1 A 33 33 LYS HA H 33 4.734 4.470 0.264 1
1 400 . 16 1 1 A 33 33 LYS C C 33 175.037 175.368 -0.331 1
1 401 . 16 1 1 A 33 33 LYS CA C 33 54.046 55.982 -1.936 1
1 402 . 16 1 1 A 33 33 LYS CB C 33 31.743 33.353 -1.610 1
1 406 . 16 1 1 A 33 33 LYS N N 33 118.502 119.390 -0.888 1
1 407 . 16 1 1 A 34 34 VAL H H 34 7.750 7.635 0.115 1
1 408 . 16 1 1 A 34 34 VAL HA H 34 4.672 4.308 0.364 1
1 416 . 16 1 1 A 34 34 VAL C C 34 175.911 175.735 0.176 1
1 417 . 16 1 1 A 34 34 VAL CA C 34 60.255 61.575 -1.320 1
1 418 . 16 1 1 A 34 34 VAL CB C 34 32.064 33.166 -1.102 1
1 421 . 16 1 1 A 34 34 VAL N N 34 120.487 120.697 -0.210 1
1 422 . 16 1 1 A 35 35 ALA H H 35 9.109 8.897 0.212 1
1 423 . 16 1 1 A 35 35 ALA HA H 35 4.143 4.243 -0.100 1
1 427 . 16 1 1 A 35 35 ALA C C 35 177.887 177.698 0.189 1
1 428 . 16 1 1 A 35 35 ALA CA C 35 54.562 53.995 0.567 1
1 429 . 16 1 1 A 35 35 ALA CB C 35 18.880 19.545 -0.665 1
1 430 . 16 1 1 A 35 35 ALA N N 35 129.552 128.256 1.296 1
1 431 . 16 1 1 A 36 36 ASN H H 36 8.169 7.529 0.640 1
1 432 . 16 1 1 A 36 36 ASN HA H 36 5.108 5.029 0.079 1
1 437 . 16 1 1 A 36 36 ASN CA C 36 50.333 50.716 -0.383 1
1 438 . 16 1 1 A 36 36 ASN CB C 36 35.521 38.360 -2.839 1
1 439 . 16 1 1 A 36 36 ASN N N 36 112.302 114.436 -2.134 1
1 441 . 16 1 1 A 37 37 PRO HA H 37 3.891 4.238 -0.347 1
1 448 . 16 1 1 A 37 37 PRO C C 37 177.715 177.181 0.534 1
1 449 . 16 1 1 A 37 37 PRO CA C 37 64.104 64.001 0.103 1
1 450 . 16 1 1 A 37 37 PRO CB C 37 32.380 31.936 0.444 1
1 453 . 16 1 1 A 38 38 ASP H H 38 8.843 8.384 0.459 1
1 454 . 16 1 1 A 38 38 ASP HA H 38 4.350 4.462 -0.112 1
1 457 . 16 1 1 A 38 38 ASP C C 38 176.942 176.971 -0.029 1
1 458 . 16 1 1 A 38 38 ASP CA C 38 56.035 56.350 -0.315 1
1 459 . 16 1 1 A 38 38 ASP CB C 38 39.249 40.532 -1.283 1
1 460 . 16 1 1 A 38 38 ASP N N 38 118.913 117.853 1.060 1
1 461 . 16 1 1 A 39 39 LEU H H 39 7.548 7.144 0.404 1
1 462 . 16 1 1 A 39 39 LEU HA H 39 4.268 4.256 0.012 1
1 472 . 16 1 1 A 39 39 LEU C C 39 176.727 176.407 0.320 1
1 473 . 16 1 1 A 39 39 LEU CA C 39 54.091 53.931 0.160 1
1 474 . 16 1 1 A 39 39 LEU CB C 39 41.404 41.224 0.180 1
1 478 . 16 1 1 A 39 39 LEU N N 39 117.047 116.410 0.637 1
1 479 . 16 1 1 A 40 40 ILE H H 40 7.047 6.829 0.218 1
1 480 . 16 1 1 A 40 40 ILE HA H 40 2.710 3.697 -0.987 1
1 490 . 16 1 1 A 40 40 ILE C C 40 174.794 175.335 -0.541 1
1 491 . 16 1 1 A 40 40 ILE CA C 40 64.352 61.505 2.847 1
1 492 . 16 1 1 A 40 40 ILE CB C 40 37.301 37.111 0.190 1
1 496 . 16 1 1 A 40 40 ILE N N 40 118.412 121.206 -2.794 1
1 497 . 16 1 1 A 41 41 LYS H H 41 6.395 8.600 -2.205 1
1 498 . 16 1 1 A 41 41 LYS HA H 41 4.246 4.840 -0.594 1
1 507 . 16 1 1 A 41 41 LYS C C 41 174.422 174.476 -0.054 1
1 508 . 16 1 1 A 41 41 LYS CA C 41 54.521 54.018 0.503 1
1 509 . 16 1 1 A 41 41 LYS CB C 41 35.426 36.063 -0.637 1
1 513 . 16 1 1 A 41 41 LYS N N 41 122.843 124.156 -1.313 1
1 514 . 16 1 1 A 42 42 LYS H H 42 8.788 8.483 0.305 1
1 515 . 16 1 1 A 42 42 LYS HA H 42 3.603 3.914 -0.311 1
1 524 . 16 1 1 A 42 42 LYS C C 42 176.169 176.917 -0.748 1
1 525 . 16 1 1 A 42 42 LYS CA C 42 59.038 57.736 1.302 1
1 526 . 16 1 1 A 42 42 LYS CB C 42 31.981 32.567 -0.586 1
1 530 . 16 1 1 A 42 42 LYS N N 42 122.219 122.952 -0.733 1
1 531 . 16 1 1 A 43 43 ASP H H 43 9.183 9.197 -0.014 1
1 532 . 16 1 1 A 43 43 ASP HA H 43 4.191 4.246 -0.055 1
1 535 . 16 1 1 A 43 43 ASP C C 43 174.866 174.847 0.019 1
1 536 . 16 1 1 A 43 43 ASP CA C 43 57.064 55.547 1.517 1
1 537 . 16 1 1 A 43 43 ASP CB C 43 38.724 40.354 -1.630 1
1 538 . 16 1 1 A 43 43 ASP N N 43 119.807 125.479 -5.672 1
1 539 . 16 1 1 A 44 44 ALA H H 44 7.669 7.268 0.401 1
1 540 . 16 1 1 A 44 44 ALA HA H 44 4.273 4.570 -0.297 1
1 544 . 16 1 1 A 44 44 ALA C C 44 176.197 176.756 -0.559 1
1 545 . 16 1 1 A 44 44 ALA CA C 44 52.503 50.758 1.745 1
1 546 . 16 1 1 A 44 44 ALA CB C 44 19.511 20.888 -1.377 1
1 547 . 16 1 1 A 44 44 ALA N N 44 121.785 121.328 0.457 1
1 548 . 16 1 1 A 45 45 ALA H H 45 8.522 8.553 -0.031 1
1 549 . 16 1 1 A 45 45 ALA HA H 45 4.820 5.199 -0.379 1
1 553 . 16 1 1 A 45 45 ALA C C 45 177.128 176.943 0.185 1
1 554 . 16 1 1 A 45 45 ALA CA C 45 51.512 50.873 0.639 1
1 555 . 16 1 1 A 45 45 ALA CB C 45 19.306 20.831 -1.525 1
1 556 . 16 1 1 A 45 45 ALA N N 45 125.014 123.224 1.790 1
1 557 . 16 1 1 A 46 46 VAL H H 46 8.358 9.239 -0.881 1
1 558 . 16 1 1 A 46 46 VAL HA H 46 5.659 4.974 0.685 1
1 566 . 16 1 1 A 46 46 VAL C C 46 177.199 174.622 2.577 1
1 567 . 16 1 1 A 46 46 VAL CA C 46 57.919 59.309 -1.390 1
1 568 . 16 1 1 A 46 46 VAL CB C 46 36.362 35.704 0.658 1
1 571 . 16 1 1 A 46 46 VAL N N 46 109.774 116.333 -6.559 1
1 572 . 16 1 1 A 47 47 THR H H 47 8.902 9.017 -0.115 1
1 573 . 16 1 1 A 47 47 THR HA H 47 5.462 5.293 0.169 1
1 578 . 16 1 1 A 47 47 THR C C 47 173.405 173.785 -0.380 1
1 579 . 16 1 1 A 47 47 THR CA C 47 60.139 59.858 0.281 1
1 580 . 16 1 1 A 47 47 THR CB C 47 71.233 70.641 0.592 1
1 582 . 16 1 1 A 47 47 THR N N 47 112.758 116.719 -3.961 1
1 583 . 16 1 1 A 48 48 PHE H H 48 8.423 8.533 -0.110 1
1 584 . 16 1 1 A 48 48 PHE HA H 48 5.099 5.019 0.080 1
1 591 . 16 1 1 A 48 48 PHE C C 48 172.231 172.113 0.118 1
1 592 . 16 1 1 A 48 48 PHE CA C 48 56.390 55.903 0.487 1
1 593 . 16 1 1 A 48 48 PHE CB C 48 41.169 40.968 0.201 1
1 596 . 16 1 1 A 48 48 PHE N N 48 115.866 118.472 -2.606 1
1 597 . 16 1 1 A 49 49 GLU H H 49 8.622 8.724 -0.102 1
1 598 . 16 1 1 A 49 49 GLU HA H 49 4.907 4.775 0.132 1
1 603 . 16 1 1 A 49 49 GLU CA C 49 51.497 53.192 -1.695 1
1 604 . 16 1 1 A 49 49 GLU CB C 49 28.890 30.325 -1.435 1
1 606 . 16 1 1 A 49 49 GLU N N 49 117.484 119.982 -2.498 1
1 607 . 16 1 1 A 50 50 PRO HA H 50 4.829 5.092 -0.263 1
1 614 . 16 1 1 A 50 50 PRO C C 50 175.925 175.150 0.775 1
1 615 . 16 1 1 A 50 50 PRO CA C 50 62.593 62.262 0.331 1
1 616 . 16 1 1 A 50 50 PRO CB C 50 32.917 32.192 0.725 1
1 619 . 16 1 1 A 51 51 THR H H 51 7.621 8.691 -1.070 1
1 620 . 16 1 1 A 51 51 THR HA H 51 4.742 4.910 -0.168 1
1 625 . 16 1 1 A 51 51 THR C C 51 172.074 172.240 -0.166 1
1 626 . 16 1 1 A 51 51 THR CA C 51 60.558 60.164 0.394 1
1 627 . 16 1 1 A 51 51 THR CB C 51 68.841 70.193 -1.352 1
1 629 . 16 1 1 A 51 51 THR N N 51 112.909 116.872 -3.963 1
1 630 . 16 1 1 A 52 52 THR H H 52 8.367 8.751 -0.384 1
1 631 . 16 1 1 A 52 52 THR HA H 52 4.975 5.168 -0.193 1
1 636 . 16 1 1 A 52 52 THR C C 52 173.047 173.037 0.010 1
1 637 . 16 1 1 A 52 52 THR CA C 52 60.794 61.462 -0.668 1
1 638 . 16 1 1 A 52 52 THR CB C 52 71.210 71.909 -0.699 1
1 640 . 16 1 1 A 52 52 THR N N 52 117.260 117.065 0.195 1
1 641 . 16 1 1 A 53 53 ASN H H 53 8.827 9.353 -0.526 1
1 642 . 16 1 1 A 53 53 ASN HA H 53 4.756 5.138 -0.382 1
1 647 . 16 1 1 A 53 53 ASN CA C 53 53.430 51.432 1.998 1
1 648 . 16 1 1 A 53 53 ASN CB C 53 38.660 41.157 -2.497 1
1 649 . 16 1 1 A 53 53 ASN N N 53 122.737 124.318 -1.581 1
1 651 . 16 1 1 A 54 54 ASN HA H 54 4.420 4.415 0.005 1
1 656 . 16 1 1 A 54 54 ASN C C 54 176.154 176.307 -0.153 1
1 657 . 16 1 1 A 54 54 ASN CA C 54 55.580 56.407 -0.827 1
1 658 . 16 1 1 A 54 54 ASN CB C 54 36.917 38.175 -1.258 1
1 660 . 16 1 1 A 55 55 LYS H H 55 8.190 7.488 0.702 1
1 661 . 16 1 1 A 55 55 LYS HA H 55 4.225 4.460 -0.235 1
1 670 . 16 1 1 A 55 55 LYS C C 55 176.154 175.725 0.429 1
1 671 . 16 1 1 A 55 55 LYS CA C 55 55.113 55.436 -0.323 1
1 672 . 16 1 1 A 55 55 LYS CB C 55 31.703 32.614 -0.911 1
1 676 . 16 1 1 A 55 55 LYS N N 55 117.935 116.801 1.134 1
1 677 . 16 1 1 A 56 56 GLY H H 56 7.966 6.809 1.157 1
1 678 . 16 1 1 A 56 56 GLY HA2 H 56 4.496 4.050 0.446 1
1 679 . 16 1 1 A 56 56 GLY HA3 H 56 3.794 4.055 -0.261 1
1 680 . 16 1 1 A 56 56 GLY C C 56 173.262 172.125 1.137 1
1 681 . 16 1 1 A 56 56 GLY CA C 56 44.177 44.659 -0.482 1
1 682 . 16 1 1 A 56 56 GLY N N 56 108.898 108.049 0.849 1
1 683 . 16 1 1 A 57 57 LEU H H 57 8.716 8.629 0.087 1
1 684 . 16 1 1 A 57 57 LEU HA H 57 4.442 4.558 -0.116 1
1 694 . 16 1 1 A 57 57 LEU C C 57 178.488 176.255 2.233 1
1 695 . 16 1 1 A 57 57 LEU CA C 57 56.424 55.295 1.129 1
1 696 . 16 1 1 A 57 57 LEU CB C 57 42.582 42.354 0.228 1
1 700 . 16 1 1 A 57 57 LEU N N 57 122.286 123.269 -0.983 1
1 701 . 16 1 1 A 58 58 SER H H 58 9.033 8.516 0.517 1
1 702 . 16 1 1 A 58 58 SER HA H 58 5.696 4.886 0.810 1
1 705 . 16 1 1 A 58 58 SER C C 58 173.820 172.287 1.533 1
1 706 . 16 1 1 A 58 58 SER CA C 58 56.715 57.028 -0.313 1
1 707 . 16 1 1 A 58 58 SER CB C 58 65.779 66.565 -0.786 1
1 708 . 16 1 1 A 58 58 SER N N 58 117.913 116.519 1.394 1
1 709 . 16 1 1 A 59 59 ALA H H 59 8.775 8.094 0.681 1
1 710 . 16 1 1 A 59 59 ALA HA H 59 5.409 5.392 0.017 1
1 714 . 16 1 1 A 59 59 ALA C C 59 174.966 175.189 -0.223 1
1 715 . 16 1 1 A 59 59 ALA CA C 59 50.783 50.252 0.531 1
1 716 . 16 1 1 A 59 59 ALA CB C 59 23.985 22.956 1.029 1
1 717 . 16 1 1 A 59 59 ALA N N 59 125.556 122.314 3.242 1
1 718 . 16 1 1 A 60 60 TYR H H 60 9.347 8.399 0.948 1
1 719 . 16 1 1 A 60 60 TYR HA H 60 5.030 5.104 -0.074 1
1 726 . 16 1 1 A 60 60 TYR C C 60 171.673 174.220 -2.547 1
1 727 . 16 1 1 A 60 60 TYR CA C 60 55.484 55.675 -0.191 1
1 728 . 16 1 1 A 60 60 TYR CB C 60 39.502 41.323 -1.821 1
1 731 . 16 1 1 A 60 60 TYR N N 60 118.946 117.676 1.270 1
1 732 . 16 1 1 A 61 61 ALA H H 61 9.176 8.658 0.518 1
1 733 . 16 1 1 A 61 61 ALA HA H 61 4.116 3.939 0.177 1
1 737 . 16 1 1 A 61 61 ALA C C 61 175.825 176.735 -0.910 1
1 738 . 16 1 1 A 61 61 ALA CA C 61 52.809 52.928 -0.119 1
1 739 . 16 1 1 A 61 61 ALA CB C 61 16.597 17.382 -0.785 1
1 740 . 16 1 1 A 61 61 ALA N N 61 124.113 120.621 3.492 1
1 741 . 16 1 1 A 62 62 VAL H H 62 7.968 7.955 0.013 1
1 742 . 16 1 1 A 62 62 VAL HA H 62 4.300 4.219 0.081 1
1 750 . 16 1 1 A 62 62 VAL C C 62 175.395 176.047 -0.652 1
1 751 . 16 1 1 A 62 62 VAL CA C 62 62.252 63.116 -0.864 1
1 752 . 16 1 1 A 62 62 VAL CB C 62 31.435 31.559 -0.124 1
1 755 . 16 1 1 A 62 62 VAL N N 62 116.561 118.201 -1.640 1
1 756 . 16 1 1 A 63 63 LYS H H 63 9.208 9.315 -0.107 1
1 757 . 16 1 1 A 63 63 LYS HA H 63 4.633 5.177 -0.544 1
1 766 . 16 1 1 A 63 63 LYS C C 63 175.238 175.637 -0.399 1
1 767 . 16 1 1 A 63 63 LYS CA C 63 54.729 54.953 -0.224 1
1 768 . 16 1 1 A 63 63 LYS CB C 63 34.859 34.476 0.383 1
1 772 . 16 1 1 A 63 63 LYS N N 63 128.892 128.550 0.342 1
1 773 . 16 1 1 A 64 64 VAL H H 64 9.588 9.111 0.477 1
1 774 . 16 1 1 A 64 64 VAL HA H 64 4.345 4.227 0.118 1
1 782 . 16 1 1 A 64 64 VAL C C 64 176.856 175.389 1.467 1
1 783 . 16 1 1 A 64 64 VAL CA C 64 62.563 62.814 -0.251 1
1 784 . 16 1 1 A 64 64 VAL CB C 64 30.916 32.179 -1.263 1
1 787 . 16 1 1 A 64 64 VAL N N 64 126.595 125.173 1.422 1
1 788 . 16 1 1 A 65 65 VAL H H 65 8.597 8.905 -0.308 1
1 789 . 16 1 1 A 65 65 VAL HA H 65 4.370 4.697 -0.327 1
1 797 . 16 1 1 A 65 65 VAL CA C 65 62.480 59.235 3.245 1
1 798 . 16 1 1 A 65 65 VAL CB C 65 32.436 32.680 -0.244 1
1 801 . 16 1 1 A 65 65 VAL N N 65 127.945 127.279 0.666 1
1 802 . 16 1 1 A 66 66 PRO HA H 66 4.385 4.667 -0.282 1
1 809 . 16 1 1 A 66 66 PRO C C 66 176.627 176.675 -0.048 1
1 810 . 16 1 1 A 66 66 PRO CA C 66 62.511 62.060 0.451 1
1 811 . 16 1 1 A 66 66 PRO CB C 66 31.875 33.322 -1.447 1
1 814 . 16 1 1 A 67 67 LEU H H 67 8.236 8.984 -0.748 1
1 815 . 16 1 1 A 67 67 LEU HA H 67 4.181 4.103 0.078 1
1 825 . 16 1 1 A 67 67 LEU C C 67 177.357 176.591 0.766 1
1 826 . 16 1 1 A 67 67 LEU CA C 67 55.352 57.629 -2.277 1
1 827 . 16 1 1 A 67 67 LEU CB C 67 42.355 42.754 -0.399 1
1 831 . 16 1 1 A 67 67 LEU N N 67 122.691 120.323 2.368 1
1 832 . 16 1 1 A 68 68 GLU H H 68 8.432 7.919 0.513 1
1 833 . 16 1 1 A 68 68 GLU HA H 68 4.184 4.794 -0.610 1
1 838 . 16 1 1 A 68 68 GLU C C 68 176.054 176.307 -0.253 1
1 839 . 16 1 1 A 68 68 GLU CA C 68 56.250 55.081 1.169 1
1 840 . 16 1 1 A 68 68 GLU CB C 68 30.077 32.725 -2.648 1
1 842 . 16 1 1 A 68 68 GLU N N 68 121.298 116.041 5.257 1
1 843 . 16 1 1 A 69 69 HIS H H 69 8.303 9.316 -1.013 1
1 844 . 16 1 1 A 69 69 HIS HA H 69 4.517 4.239 0.278 1
1 849 . 16 1 1 A 69 69 HIS C C 69 173.863 175.033 -1.170 1
1 850 . 16 1 1 A 69 69 HIS CA C 69 55.663 59.437 -3.774 1
1 851 . 16 1 1 A 69 69 HIS CB C 69 29.904 30.766 -0.862 1
1 1 . 17 1 1 A 2 2 ALA HA H 2 3.908 4.614 -0.706 1
1 5 . 17 1 1 A 2 2 ALA C C 2 174.665 177.355 -2.690 1
1 6 . 17 1 1 A 2 2 ALA CA C 2 51.696 52.183 -0.487 1
1 7 . 17 1 1 A 2 2 ALA CB C 2 19.380 18.808 0.572 1
1 8 . 17 1 1 A 3 3 MET H H 3 8.516 9.110 -0.594 1
1 9 . 17 1 1 A 3 3 MET HA H 3 4.349 4.934 -0.585 1
1 17 . 17 1 1 A 3 3 MET C C 3 173.119 174.854 -1.735 1
1 18 . 17 1 1 A 3 3 MET CA C 3 54.457 53.756 0.701 1
1 19 . 17 1 1 A 3 3 MET CB C 3 37.020 34.980 2.040 1
1 22 . 17 1 1 A 3 3 MET N N 3 118.958 122.811 -3.853 1
1 23 . 17 1 1 A 4 4 ASN H H 4 8.627 8.573 0.054 1
1 24 . 17 1 1 A 4 4 ASN HA H 4 5.470 5.585 -0.115 1
1 29 . 17 1 1 A 4 4 ASN C C 4 175.782 174.806 0.976 1
1 30 . 17 1 1 A 4 4 ASN CA C 4 52.043 51.698 0.345 1
1 31 . 17 1 1 A 4 4 ASN CB C 4 41.102 40.280 0.822 1
1 32 . 17 1 1 A 4 4 ASN N N 4 116.608 117.143 -0.535 1
1 34 . 17 1 1 A 5 5 GLY H H 5 8.444 8.843 -0.399 1
1 35 . 17 1 1 A 5 5 GLY HA2 H 5 4.652 4.443 0.209 1
1 36 . 17 1 1 A 5 5 GLY HA3 H 5 3.710 4.667 -0.957 1
1 37 . 17 1 1 A 5 5 GLY C C 5 171.487 171.796 -0.309 1
1 38 . 17 1 1 A 5 5 GLY CA C 5 46.682 44.662 2.020 1
1 39 . 17 1 1 A 5 5 GLY N N 5 104.747 109.052 -4.305 1
1 40 . 17 1 1 A 6 6 THR H H 6 8.303 9.637 -1.334 1
1 41 . 17 1 1 A 6 6 THR HA H 6 5.193 5.254 -0.061 1
1 46 . 17 1 1 A 6 6 THR C C 6 173.634 174.265 -0.631 1
1 47 . 17 1 1 A 6 6 THR CA C 6 60.367 61.306 -0.939 1
1 48 . 17 1 1 A 6 6 THR CB C 6 72.071 70.583 1.488 1
1 50 . 17 1 1 A 6 6 THR N N 6 114.893 115.426 -0.533 1
1 51 . 17 1 1 A 7 7 ILE H H 7 8.887 9.260 -0.373 1
1 52 . 17 1 1 A 7 7 ILE HA H 7 4.189 4.087 0.102 1
1 62 . 17 1 1 A 7 7 ILE C C 7 175.782 176.871 -1.089 1
1 63 . 17 1 1 A 7 7 ILE CA C 7 62.394 61.751 0.643 1
1 64 . 17 1 1 A 7 7 ILE CB C 7 37.461 36.762 0.699 1
1 68 . 17 1 1 A 7 7 ILE N N 7 125.014 126.935 -1.921 1
1 69 . 17 1 1 A 8 8 THR H H 8 8.968 8.768 0.200 1
1 70 . 17 1 1 A 8 8 THR HA H 8 4.583 4.588 -0.005 1
1 75 . 17 1 1 A 8 8 THR C C 8 175.352 174.913 0.439 1
1 76 . 17 1 1 A 8 8 THR CA C 8 62.547 62.290 0.257 1
1 77 . 17 1 1 A 8 8 THR CB C 8 69.324 69.739 -0.415 1
1 79 . 17 1 1 A 8 8 THR N N 8 123.264 119.415 3.849 1
1 80 . 17 1 1 A 9 9 THR H H 9 7.744 7.516 0.228 1
1 81 . 17 1 1 A 9 9 THR HA H 9 4.408 5.030 -0.622 1
1 86 . 17 1 1 A 9 9 THR C C 9 171.759 172.525 -0.766 1
1 87 . 17 1 1 A 9 9 THR CA C 9 61.370 61.689 -0.319 1
1 88 . 17 1 1 A 9 9 THR CB C 9 72.472 71.447 1.025 1
1 90 . 17 1 1 A 9 9 THR N N 9 116.608 115.395 1.213 1
1 91 . 17 1 1 A 10 10 TRP H H 10 8.620 8.451 0.169 1
1 92 . 17 1 1 A 10 10 TRP HA H 10 4.844 5.272 -0.428 1
1 101 . 17 1 1 A 10 10 TRP C C 10 172.833 174.177 -1.344 1
1 102 . 17 1 1 A 10 10 TRP CA C 10 55.471 55.910 -0.439 1
1 103 . 17 1 1 A 10 10 TRP CB C 10 32.843 32.826 0.017 1
1 109 . 17 1 1 A 10 10 TRP N N 10 126.095 128.404 -2.309 1
1 111 . 17 1 1 A 11 11 PHE H H 11 7.892 8.332 -0.440 1
1 112 . 17 1 1 A 11 11 PHE HA H 11 4.508 4.649 -0.141 1
1 120 . 17 1 1 A 11 11 PHE C C 11 174.493 175.307 -0.814 1
1 121 . 17 1 1 A 11 11 PHE CA C 11 54.001 55.858 -1.857 1
1 122 . 17 1 1 A 11 11 PHE CB C 11 36.906 38.547 -1.641 1
1 126 . 17 1 1 A 11 11 PHE N N 11 127.953 126.630 1.323 1
1 127 . 17 1 1 A 12 12 LYS H H 12 7.844 8.068 -0.224 1
1 128 . 17 1 1 A 12 12 LYS HA H 12 2.844 3.609 -0.765 1
1 137 . 17 1 1 A 12 12 LYS C C 12 177.701 177.635 0.066 1
1 138 . 17 1 1 A 12 12 LYS CA C 12 59.164 58.875 0.289 1
1 139 . 17 1 1 A 12 12 LYS CB C 12 32.427 32.429 -0.002 1
1 143 . 17 1 1 A 12 12 LYS N N 12 125.042 125.463 -0.421 1
1 144 . 17 1 1 A 13 13 ASP H H 13 8.638 7.844 0.794 1
1 145 . 17 1 1 A 13 13 ASP HA H 13 4.281 4.373 -0.092 1
1 148 . 17 1 1 A 13 13 ASP C C 13 176.827 177.964 -1.137 1
1 149 . 17 1 1 A 13 13 ASP CA C 13 55.401 56.262 -0.861 1
1 150 . 17 1 1 A 13 13 ASP CB C 13 39.349 41.098 -1.749 1
1 151 . 17 1 1 A 13 13 ASP N N 13 114.668 118.813 -4.145 1
1 152 . 17 1 1 A 14 14 LYS H H 14 6.965 7.689 -0.724 1
1 153 . 17 1 1 A 14 14 LYS HA H 14 4.425 4.174 0.251 1
1 162 . 17 1 1 A 14 14 LYS C C 14 176.913 176.390 0.523 1
1 163 . 17 1 1 A 14 14 LYS CA C 14 55.288 56.985 -1.697 1
1 164 . 17 1 1 A 14 14 LYS CB C 14 34.562 33.575 0.987 1
1 168 . 17 1 1 A 14 14 LYS N N 14 116.507 118.355 -1.848 1
1 169 . 17 1 1 A 15 15 GLY H H 15 7.619 8.275 -0.656 1
1 170 . 17 1 1 A 15 15 GLY HA2 H 15 3.875 3.947 -0.072 1
1 171 . 17 1 1 A 15 15 GLY HA3 H 15 3.499 4.079 -0.580 1
1 172 . 17 1 1 A 15 15 GLY C C 15 171.358 173.443 -2.085 1
1 173 . 17 1 1 A 15 15 GLY CA C 15 46.020 44.986 1.034 1
1 174 . 17 1 1 A 15 15 GLY N N 15 107.093 107.444 -0.351 1
1 175 . 17 1 1 A 16 16 PHE H H 16 6.663 6.950 -0.287 1
1 176 . 17 1 1 A 16 16 PHE HA H 16 4.866 5.162 -0.296 1
1 183 . 17 1 1 A 16 16 PHE C C 16 171.472 173.256 -1.784 1
1 184 . 17 1 1 A 16 16 PHE CA C 16 54.765 55.134 -0.369 1
1 185 . 17 1 1 A 16 16 PHE CB C 16 41.805 41.694 0.111 1
1 188 . 17 1 1 A 16 16 PHE N N 16 112.369 114.153 -1.784 1
1 189 . 17 1 1 A 17 17 GLY H H 17 7.436 8.127 -0.691 1
1 190 . 17 1 1 A 17 17 GLY HA2 H 17 3.951 4.409 -0.458 1
1 191 . 17 1 1 A 17 17 GLY HA3 H 17 3.399 4.634 -1.235 1
1 192 . 17 1 1 A 17 17 GLY C C 17 169.926 171.470 -1.544 1
1 193 . 17 1 1 A 17 17 GLY CA C 17 45.073 46.063 -0.990 1
1 194 . 17 1 1 A 17 17 GLY N N 17 105.719 106.526 -0.807 1
1 195 . 17 1 1 A 18 18 PHE H H 18 8.505 9.587 -1.082 1
1 196 . 17 1 1 A 18 18 PHE HA H 18 5.728 5.816 -0.088 1
1 204 . 17 1 1 A 18 18 PHE C C 18 175.023 175.234 -0.211 1
1 205 . 17 1 1 A 18 18 PHE CA C 18 56.493 56.186 0.307 1
1 206 . 17 1 1 A 18 18 PHE CB C 18 43.783 42.587 1.196 1
1 210 . 17 1 1 A 18 18 PHE N N 18 113.767 118.631 -4.864 1
1 211 . 17 1 1 A 19 19 ILE H H 19 9.615 9.087 0.528 1
1 212 . 17 1 1 A 19 19 ILE HA H 19 4.679 4.826 -0.147 1
1 222 . 17 1 1 A 19 19 ILE C C 19 174.894 174.300 0.594 1
1 223 . 17 1 1 A 19 19 ILE CA C 19 58.585 60.296 -1.711 1
1 224 . 17 1 1 A 19 19 ILE CB C 19 43.854 41.297 2.557 1
1 228 . 17 1 1 A 19 19 ILE N N 19 122.746 122.773 -0.027 1
1 229 . 17 1 1 A 20 20 LYS H H 20 8.971 9.064 -0.093 1
1 230 . 17 1 1 A 20 20 LYS HA H 20 5.241 5.470 -0.229 1
1 239 . 17 1 1 A 20 20 LYS C C 20 177.413 175.970 1.443 1
1 240 . 17 1 1 A 20 20 LYS CA C 20 54.622 54.983 -0.361 1
1 241 . 17 1 1 A 20 20 LYS CB C 20 33.070 35.145 -2.075 1
1 245 . 17 1 1 A 20 20 LYS N N 20 127.450 128.817 -1.367 1
1 246 . 17 1 1 A 21 21 ASP H H 21 9.363 8.304 1.059 1
1 247 . 17 1 1 A 21 21 ASP HA H 21 5.241 5.092 0.149 1
1 250 . 17 1 1 A 21 21 ASP C C 21 178.431 177.401 1.030 1
1 251 . 17 1 1 A 21 21 ASP CA C 21 52.981 52.307 0.674 1
1 252 . 17 1 1 A 21 21 ASP CB C 21 44.583 42.008 2.575 1
1 253 . 17 1 1 A 21 21 ASP N N 21 129.797 125.480 4.317 1
1 254 . 17 1 1 A 22 22 GLU H H 22 8.127 8.820 -0.693 1
1 255 . 17 1 1 A 22 22 GLU HA H 22 4.264 4.362 -0.098 1
1 260 . 17 1 1 A 22 22 GLU C C 22 176.226 177.355 -1.129 1
1 261 . 17 1 1 A 22 22 GLU CA C 22 57.515 57.520 -0.005 1
1 262 . 17 1 1 A 22 22 GLU CB C 22 29.830 29.950 -0.120 1
1 264 . 17 1 1 A 22 22 GLU N N 22 115.545 117.539 -1.994 1
1 265 . 17 1 1 A 23 23 ASN H H 23 8.606 8.300 0.306 1
1 266 . 17 1 1 A 23 23 ASN HA H 23 4.963 4.822 0.141 1
1 271 . 17 1 1 A 23 23 ASN C C 23 175.582 177.328 -1.746 1
1 272 . 17 1 1 A 23 23 ASN CA C 23 52.968 55.005 -2.037 1
1 273 . 17 1 1 A 23 23 ASN CB C 23 39.172 39.682 -0.510 1
1 274 . 17 1 1 A 23 23 ASN N N 23 118.707 118.895 -0.188 1
1 276 . 17 1 1 A 24 24 GLY H H 24 8.451 8.262 0.189 1
1 277 . 17 1 1 A 24 24 GLY HA2 H 24 4.323 3.902 0.421 1
1 278 . 17 1 1 A 24 24 GLY HA3 H 24 3.484 3.919 -0.435 1
1 279 . 17 1 1 A 24 24 GLY C C 24 174.121 173.796 0.325 1
1 280 . 17 1 1 A 24 24 GLY CA C 24 44.816 45.859 -1.043 1
1 281 . 17 1 1 A 24 24 GLY N N 24 108.999 107.494 1.505 1
1 282 . 17 1 1 A 25 25 ASP H H 25 8.326 7.851 0.475 1
1 283 . 17 1 1 A 25 25 ASP HA H 25 4.792 4.927 -0.135 1
1 286 . 17 1 1 A 25 25 ASP C C 25 173.047 174.574 -1.527 1
1 287 . 17 1 1 A 25 25 ASP CA C 25 54.677 52.933 1.744 1
1 288 . 17 1 1 A 25 25 ASP CB C 25 41.577 43.612 -2.035 1
1 289 . 17 1 1 A 25 25 ASP N N 25 121.814 117.775 4.039 1
1 290 . 17 1 1 A 26 26 ASN H H 26 8.503 8.661 -0.158 1
1 291 . 17 1 1 A 26 26 ASN HA H 26 5.607 4.941 0.666 1
1 296 . 17 1 1 A 26 26 ASN C C 26 175.496 175.644 -0.148 1
1 297 . 17 1 1 A 26 26 ASN CA C 26 52.290 53.427 -1.137 1
1 298 . 17 1 1 A 26 26 ASN CB C 26 40.017 38.929 1.088 1
1 299 . 17 1 1 A 26 26 ASN N N 26 119.224 118.293 0.931 1
1 301 . 17 1 1 A 27 27 ARG H H 27 9.884 9.380 0.504 1
1 302 . 17 1 1 A 27 27 ARG HA H 27 4.720 5.044 -0.324 1
1 309 . 17 1 1 A 27 27 ARG C C 27 174.665 174.671 -0.006 1
1 310 . 17 1 1 A 27 27 ARG CA C 27 54.314 54.618 -0.304 1
1 311 . 17 1 1 A 27 27 ARG CB C 27 33.562 32.990 0.572 1
1 314 . 17 1 1 A 27 27 ARG N N 27 122.242 123.409 -1.167 1
1 315 . 17 1 1 A 28 28 TYR H H 28 8.314 8.918 -0.604 1
1 316 . 17 1 1 A 28 28 TYR HA H 28 4.365 4.842 -0.477 1
1 323 . 17 1 1 A 28 28 TYR C C 28 174.765 174.265 0.500 1
1 324 . 17 1 1 A 28 28 TYR CA C 28 58.102 57.593 0.509 1
1 325 . 17 1 1 A 28 28 TYR CB C 28 39.606 39.186 0.420 1
1 328 . 17 1 1 A 28 28 TYR N N 28 126.908 124.152 2.756 1
1 329 . 17 1 1 A 29 29 PHE H H 29 7.873 9.064 -1.191 1
1 330 . 17 1 1 A 29 29 PHE HA H 29 5.159 5.184 -0.025 1
1 338 . 17 1 1 A 29 29 PHE C C 29 169.840 174.761 -4.921 1
1 339 . 17 1 1 A 29 29 PHE CA C 29 56.025 56.685 -0.660 1
1 340 . 17 1 1 A 29 29 PHE CB C 29 42.454 42.302 0.152 1
1 344 . 17 1 1 A 29 29 PHE N N 29 124.137 126.518 -2.381 1
1 345 . 17 1 1 A 30 30 HIS H H 30 8.255 8.735 -0.480 1
1 346 . 17 1 1 A 30 30 HIS HA H 30 4.819 5.286 -0.467 1
1 351 . 17 1 1 A 30 30 HIS C C 30 176.598 175.374 1.224 1
1 352 . 17 1 1 A 30 30 HIS CA C 30 55.040 55.907 -0.867 1
1 353 . 17 1 1 A 30 30 HIS CB C 30 35.066 33.416 1.650 1
1 356 . 17 1 1 A 30 30 HIS N N 30 119.922 121.092 -1.170 1
1 357 . 17 1 1 A 31 31 VAL H H 31 8.390 9.277 -0.887 1
1 358 . 17 1 1 A 31 31 VAL HA H 31 3.911 3.977 -0.066 1
1 366 . 17 1 1 A 31 31 VAL C C 31 176.713 176.876 -0.163 1
1 367 . 17 1 1 A 31 31 VAL CA C 31 65.423 65.187 0.236 1
1 368 . 17 1 1 A 31 31 VAL CB C 31 32.354 31.878 0.476 1
1 371 . 17 1 1 A 31 31 VAL N N 31 126.977 125.218 1.759 1
1 372 . 17 1 1 A 32 32 ILE H H 32 10.207 7.361 2.846 1
1 373 . 17 1 1 A 32 32 ILE HA H 32 4.397 3.774 0.623 1
1 383 . 17 1 1 A 32 32 ILE C C 32 177.414 177.076 0.338 1
1 384 . 17 1 1 A 32 32 ILE CA C 32 63.601 62.706 0.895 1
1 385 . 17 1 1 A 32 32 ILE CB C 32 38.023 37.409 0.614 1
1 389 . 17 1 1 A 32 32 ILE N N 32 123.360 119.958 3.402 1
1 390 . 17 1 1 A 33 33 LYS H H 33 8.435 7.627 0.808 1
1 391 . 17 1 1 A 33 33 LYS HA H 33 4.734 4.455 0.279 1
1 400 . 17 1 1 A 33 33 LYS C C 33 175.037 175.497 -0.460 1
1 401 . 17 1 1 A 33 33 LYS CA C 33 54.046 55.974 -1.928 1
1 402 . 17 1 1 A 33 33 LYS CB C 33 31.743 33.340 -1.597 1
1 406 . 17 1 1 A 33 33 LYS N N 33 118.502 119.502 -1.000 1
1 407 . 17 1 1 A 34 34 VAL H H 34 7.750 7.687 0.063 1
1 408 . 17 1 1 A 34 34 VAL HA H 34 4.672 4.242 0.430 1
1 416 . 17 1 1 A 34 34 VAL C C 34 175.911 176.248 -0.337 1
1 417 . 17 1 1 A 34 34 VAL CA C 34 60.255 62.344 -2.089 1
1 418 . 17 1 1 A 34 34 VAL CB C 34 32.064 32.466 -0.402 1
1 421 . 17 1 1 A 34 34 VAL N N 34 120.487 120.910 -0.423 1
1 422 . 17 1 1 A 35 35 ALA H H 35 9.109 8.803 0.306 1
1 423 . 17 1 1 A 35 35 ALA HA H 35 4.143 4.251 -0.108 1
1 427 . 17 1 1 A 35 35 ALA C C 35 177.887 177.734 0.153 1
1 428 . 17 1 1 A 35 35 ALA CA C 35 54.562 54.025 0.537 1
1 429 . 17 1 1 A 35 35 ALA CB C 35 18.880 19.432 -0.552 1
1 430 . 17 1 1 A 35 35 ALA N N 35 129.552 128.531 1.021 1
1 431 . 17 1 1 A 36 36 ASN H H 36 8.169 7.966 0.203 1
1 432 . 17 1 1 A 36 36 ASN HA H 36 5.108 5.079 0.029 1
1 437 . 17 1 1 A 36 36 ASN CA C 36 50.333 50.781 -0.448 1
1 438 . 17 1 1 A 36 36 ASN CB C 36 35.521 38.469 -2.948 1
1 439 . 17 1 1 A 36 36 ASN N N 36 112.302 114.486 -2.184 1
1 441 . 17 1 1 A 37 37 PRO HA H 37 3.891 4.401 -0.510 1
1 448 . 17 1 1 A 37 37 PRO C C 37 177.715 177.174 0.541 1
1 449 . 17 1 1 A 37 37 PRO CA C 37 64.104 64.285 -0.181 1
1 450 . 17 1 1 A 37 37 PRO CB C 37 32.380 31.888 0.492 1
1 453 . 17 1 1 A 38 38 ASP H H 38 8.843 8.546 0.297 1
1 454 . 17 1 1 A 38 38 ASP HA H 38 4.350 4.642 -0.292 1
1 457 . 17 1 1 A 38 38 ASP C C 38 176.942 176.926 0.016 1
1 458 . 17 1 1 A 38 38 ASP CA C 38 56.035 54.831 1.204 1
1 459 . 17 1 1 A 38 38 ASP CB C 38 39.249 41.007 -1.758 1
1 460 . 17 1 1 A 38 38 ASP N N 38 118.913 117.309 1.604 1
1 461 . 17 1 1 A 39 39 LEU H H 39 7.548 7.602 -0.054 1
1 462 . 17 1 1 A 39 39 LEU HA H 39 4.268 4.351 -0.083 1
1 472 . 17 1 1 A 39 39 LEU C C 39 176.727 176.898 -0.171 1
1 473 . 17 1 1 A 39 39 LEU CA C 39 54.091 54.332 -0.241 1
1 474 . 17 1 1 A 39 39 LEU CB C 39 41.404 41.518 -0.114 1
1 478 . 17 1 1 A 39 39 LEU N N 39 117.047 117.356 -0.309 1
1 479 . 17 1 1 A 40 40 ILE H H 40 7.047 7.300 -0.253 1
1 480 . 17 1 1 A 40 40 ILE HA H 40 2.710 3.779 -1.069 1
1 490 . 17 1 1 A 40 40 ILE C C 40 174.794 175.725 -0.931 1
1 491 . 17 1 1 A 40 40 ILE CA C 40 64.352 61.510 2.842 1
1 492 . 17 1 1 A 40 40 ILE CB C 40 37.301 37.549 -0.248 1
1 496 . 17 1 1 A 40 40 ILE N N 40 118.412 121.243 -2.831 1
1 497 . 17 1 1 A 41 41 LYS H H 41 6.395 8.699 -2.304 1
1 498 . 17 1 1 A 41 41 LYS HA H 41 4.246 4.925 -0.679 1
1 507 . 17 1 1 A 41 41 LYS C C 41 174.422 175.897 -1.475 1
1 508 . 17 1 1 A 41 41 LYS CA C 41 54.521 54.122 0.399 1
1 509 . 17 1 1 A 41 41 LYS CB C 41 35.426 36.199 -0.773 1
1 513 . 17 1 1 A 41 41 LYS N N 41 122.843 126.823 -3.980 1
1 514 . 17 1 1 A 42 42 LYS H H 42 8.788 8.695 0.093 1
1 515 . 17 1 1 A 42 42 LYS HA H 42 3.603 4.288 -0.685 1
1 524 . 17 1 1 A 42 42 LYS C C 42 176.169 176.873 -0.704 1
1 525 . 17 1 1 A 42 42 LYS CA C 42 59.038 56.121 2.917 1
1 526 . 17 1 1 A 42 42 LYS CB C 42 31.981 33.265 -1.284 1
1 530 . 17 1 1 A 42 42 LYS N N 42 122.219 120.636 1.583 1
1 531 . 17 1 1 A 43 43 ASP H H 43 9.183 8.817 0.366 1
1 532 . 17 1 1 A 43 43 ASP HA H 43 4.191 4.323 -0.132 1
1 535 . 17 1 1 A 43 43 ASP C C 43 174.866 174.927 -0.061 1
1 536 . 17 1 1 A 43 43 ASP CA C 43 57.064 55.451 1.613 1
1 537 . 17 1 1 A 43 43 ASP CB C 43 38.724 40.263 -1.539 1
1 538 . 17 1 1 A 43 43 ASP N N 43 119.807 122.513 -2.706 1
1 539 . 17 1 1 A 44 44 ALA H H 44 7.669 7.760 -0.091 1
1 540 . 17 1 1 A 44 44 ALA HA H 44 4.273 4.609 -0.336 1
1 544 . 17 1 1 A 44 44 ALA C C 44 176.197 176.277 -0.080 1
1 545 . 17 1 1 A 44 44 ALA CA C 44 52.503 51.121 1.382 1
1 546 . 17 1 1 A 44 44 ALA CB C 44 19.511 22.023 -2.512 1
1 547 . 17 1 1 A 44 44 ALA N N 44 121.785 120.332 1.453 1
1 548 . 17 1 1 A 45 45 ALA H H 45 8.522 8.565 -0.043 1
1 549 . 17 1 1 A 45 45 ALA HA H 45 4.820 5.514 -0.694 1
1 553 . 17 1 1 A 45 45 ALA C C 45 177.128 176.765 0.363 1
1 554 . 17 1 1 A 45 45 ALA CA C 45 51.512 50.184 1.328 1
1 555 . 17 1 1 A 45 45 ALA CB C 45 19.306 21.615 -2.309 1
1 556 . 17 1 1 A 45 45 ALA N N 45 125.014 122.559 2.455 1
1 557 . 17 1 1 A 46 46 VAL H H 46 8.358 9.278 -0.920 1
1 558 . 17 1 1 A 46 46 VAL HA H 46 5.659 4.999 0.660 1
1 566 . 17 1 1 A 46 46 VAL C C 46 177.199 174.523 2.676 1
1 567 . 17 1 1 A 46 46 VAL CA C 46 57.919 59.148 -1.229 1
1 568 . 17 1 1 A 46 46 VAL CB C 46 36.362 35.687 0.675 1
1 571 . 17 1 1 A 46 46 VAL N N 46 109.774 115.989 -6.215 1
1 572 . 17 1 1 A 47 47 THR H H 47 8.902 9.117 -0.215 1
1 573 . 17 1 1 A 47 47 THR HA H 47 5.462 5.281 0.181 1
1 578 . 17 1 1 A 47 47 THR C C 47 173.405 173.915 -0.510 1
1 579 . 17 1 1 A 47 47 THR CA C 47 60.139 59.937 0.202 1
1 580 . 17 1 1 A 47 47 THR CB C 47 71.233 70.591 0.642 1
1 582 . 17 1 1 A 47 47 THR N N 47 112.758 115.989 -3.231 1
1 583 . 17 1 1 A 48 48 PHE H H 48 8.423 8.728 -0.305 1
1 584 . 17 1 1 A 48 48 PHE HA H 48 5.099 5.073 0.026 1
1 591 . 17 1 1 A 48 48 PHE C C 48 172.231 172.372 -0.141 1
1 592 . 17 1 1 A 48 48 PHE CA C 48 56.390 55.677 0.713 1
1 593 . 17 1 1 A 48 48 PHE CB C 48 41.169 41.225 -0.056 1
1 596 . 17 1 1 A 48 48 PHE N N 48 115.866 118.608 -2.742 1
1 597 . 17 1 1 A 49 49 GLU H H 49 8.622 8.666 -0.044 1
1 598 . 17 1 1 A 49 49 GLU HA H 49 4.907 4.718 0.189 1
1 603 . 17 1 1 A 49 49 GLU CA C 49 51.497 53.458 -1.961 1
1 604 . 17 1 1 A 49 49 GLU CB C 49 28.890 29.547 -0.657 1
1 606 . 17 1 1 A 49 49 GLU N N 49 117.484 120.383 -2.899 1
1 607 . 17 1 1 A 50 50 PRO HA H 50 4.829 5.079 -0.250 1
1 614 . 17 1 1 A 50 50 PRO C C 50 175.925 175.211 0.714 1
1 615 . 17 1 1 A 50 50 PRO CA C 50 62.593 62.239 0.354 1
1 616 . 17 1 1 A 50 50 PRO CB C 50 32.917 32.243 0.674 1
1 619 . 17 1 1 A 51 51 THR H H 51 7.621 8.778 -1.157 1
1 620 . 17 1 1 A 51 51 THR HA H 51 4.742 4.952 -0.210 1
1 625 . 17 1 1 A 51 51 THR C C 51 172.074 172.032 0.042 1
1 626 . 17 1 1 A 51 51 THR CA C 51 60.558 60.244 0.314 1
1 627 . 17 1 1 A 51 51 THR CB C 51 68.841 70.475 -1.634 1
1 629 . 17 1 1 A 51 51 THR N N 51 112.909 116.669 -3.760 1
1 630 . 17 1 1 A 52 52 THR H H 52 8.367 8.786 -0.419 1
1 631 . 17 1 1 A 52 52 THR HA H 52 4.975 5.299 -0.324 1
1 636 . 17 1 1 A 52 52 THR C C 52 173.047 173.155 -0.108 1
1 637 . 17 1 1 A 52 52 THR CA C 52 60.794 60.788 0.006 1
1 638 . 17 1 1 A 52 52 THR CB C 52 71.210 71.980 -0.770 1
1 640 . 17 1 1 A 52 52 THR N N 52 117.260 117.597 -0.337 1
1 641 . 17 1 1 A 53 53 ASN H H 53 8.827 8.914 -0.087 1
1 642 . 17 1 1 A 53 53 ASN HA H 53 4.756 5.091 -0.335 1
1 647 . 17 1 1 A 53 53 ASN CA C 53 53.430 51.452 1.978 1
1 648 . 17 1 1 A 53 53 ASN CB C 53 38.660 41.650 -2.990 1
1 649 . 17 1 1 A 53 53 ASN N N 53 122.737 122.065 0.672 1
1 651 . 17 1 1 A 54 54 ASN HA H 54 4.420 4.580 -0.160 1
1 656 . 17 1 1 A 54 54 ASN C C 54 176.154 175.950 0.204 1
1 657 . 17 1 1 A 54 54 ASN CA C 54 55.580 55.033 0.547 1
1 658 . 17 1 1 A 54 54 ASN CB C 54 36.917 38.110 -1.193 1
1 660 . 17 1 1 A 55 55 LYS H H 55 8.190 7.781 0.409 1
1 661 . 17 1 1 A 55 55 LYS HA H 55 4.225 4.287 -0.062 1
1 670 . 17 1 1 A 55 55 LYS C C 55 176.154 176.677 -0.523 1
1 671 . 17 1 1 A 55 55 LYS CA C 55 55.113 56.256 -1.143 1
1 672 . 17 1 1 A 55 55 LYS CB C 55 31.703 32.814 -1.111 1
1 676 . 17 1 1 A 55 55 LYS N N 55 117.935 116.714 1.221 1
1 677 . 17 1 1 A 56 56 GLY H H 56 7.966 7.137 0.829 1
1 678 . 17 1 1 A 56 56 GLY HA2 H 56 4.496 4.264 0.232 1
1 679 . 17 1 1 A 56 56 GLY HA3 H 56 3.794 4.273 -0.479 1
1 680 . 17 1 1 A 56 56 GLY C C 56 173.262 172.698 0.564 1
1 681 . 17 1 1 A 56 56 GLY CA C 56 44.177 44.271 -0.094 1
1 682 . 17 1 1 A 56 56 GLY N N 56 108.898 106.784 2.114 1
1 683 . 17 1 1 A 57 57 LEU H H 57 8.716 8.343 0.373 1
1 684 . 17 1 1 A 57 57 LEU HA H 57 4.442 4.602 -0.160 1
1 694 . 17 1 1 A 57 57 LEU C C 57 178.488 175.351 3.137 1
1 695 . 17 1 1 A 57 57 LEU CA C 57 56.424 54.947 1.477 1
1 696 . 17 1 1 A 57 57 LEU CB C 57 42.582 42.509 0.073 1
1 700 . 17 1 1 A 57 57 LEU N N 57 122.286 124.339 -2.053 1
1 701 . 17 1 1 A 58 58 SER H H 58 9.033 8.578 0.455 1
1 702 . 17 1 1 A 58 58 SER HA H 58 5.696 4.924 0.772 1
1 705 . 17 1 1 A 58 58 SER C C 58 173.820 172.491 1.329 1
1 706 . 17 1 1 A 58 58 SER CA C 58 56.715 57.688 -0.973 1
1 707 . 17 1 1 A 58 58 SER CB C 58 65.779 67.225 -1.446 1
1 708 . 17 1 1 A 58 58 SER N N 58 117.913 116.404 1.509 1
1 709 . 17 1 1 A 59 59 ALA H H 59 8.775 8.242 0.533 1
1 710 . 17 1 1 A 59 59 ALA HA H 59 5.409 5.188 0.221 1
1 714 . 17 1 1 A 59 59 ALA C C 59 174.966 175.447 -0.481 1
1 715 . 17 1 1 A 59 59 ALA CA C 59 50.783 50.566 0.217 1
1 716 . 17 1 1 A 59 59 ALA CB C 59 23.985 23.652 0.333 1
1 717 . 17 1 1 A 59 59 ALA N N 59 125.556 122.868 2.688 1
1 718 . 17 1 1 A 60 60 TYR H H 60 9.347 8.507 0.840 1
1 719 . 17 1 1 A 60 60 TYR HA H 60 5.030 4.920 0.110 1
1 726 . 17 1 1 A 60 60 TYR C C 60 171.673 173.810 -2.137 1
1 727 . 17 1 1 A 60 60 TYR CA C 60 55.484 56.255 -0.771 1
1 728 . 17 1 1 A 60 60 TYR CB C 60 39.502 40.908 -1.406 1
1 731 . 17 1 1 A 60 60 TYR N N 60 118.946 116.272 2.674 1
1 732 . 17 1 1 A 61 61 ALA H H 61 9.176 8.729 0.447 1
1 733 . 17 1 1 A 61 61 ALA HA H 61 4.116 3.957 0.159 1
1 737 . 17 1 1 A 61 61 ALA C C 61 175.825 176.631 -0.806 1
1 738 . 17 1 1 A 61 61 ALA CA C 61 52.809 52.948 -0.139 1
1 739 . 17 1 1 A 61 61 ALA CB C 61 16.597 17.430 -0.833 1
1 740 . 17 1 1 A 61 61 ALA N N 61 124.113 120.627 3.486 1
1 741 . 17 1 1 A 62 62 VAL H H 62 7.968 7.994 -0.026 1
1 742 . 17 1 1 A 62 62 VAL HA H 62 4.300 4.182 0.118 1
1 750 . 17 1 1 A 62 62 VAL C C 62 175.395 174.826 0.569 1
1 751 . 17 1 1 A 62 62 VAL CA C 62 62.252 62.949 -0.697 1
1 752 . 17 1 1 A 62 62 VAL CB C 62 31.435 31.418 0.017 1
1 755 . 17 1 1 A 62 62 VAL N N 62 116.561 118.446 -1.885 1
1 756 . 17 1 1 A 63 63 LYS H H 63 9.208 9.250 -0.042 1
1 757 . 17 1 1 A 63 63 LYS HA H 63 4.633 4.884 -0.251 1
1 766 . 17 1 1 A 63 63 LYS C C 63 175.238 175.221 0.017 1
1 767 . 17 1 1 A 63 63 LYS CA C 63 54.729 55.078 -0.349 1
1 768 . 17 1 1 A 63 63 LYS CB C 63 34.859 33.952 0.907 1
1 772 . 17 1 1 A 63 63 LYS N N 63 128.892 128.557 0.335 1
1 773 . 17 1 1 A 64 64 VAL H H 64 9.588 8.799 0.789 1
1 774 . 17 1 1 A 64 64 VAL HA H 64 4.345 4.180 0.165 1
1 782 . 17 1 1 A 64 64 VAL C C 64 176.856 175.445 1.411 1
1 783 . 17 1 1 A 64 64 VAL CA C 64 62.563 62.742 -0.179 1
1 784 . 17 1 1 A 64 64 VAL CB C 64 30.916 32.036 -1.120 1
1 787 . 17 1 1 A 64 64 VAL N N 64 126.595 127.965 -1.370 1
1 788 . 17 1 1 A 65 65 VAL H H 65 8.597 8.790 -0.193 1
1 789 . 17 1 1 A 65 65 VAL HA H 65 4.370 4.630 -0.260 1
1 797 . 17 1 1 A 65 65 VAL CA C 65 62.480 59.263 3.217 1
1 798 . 17 1 1 A 65 65 VAL CB C 65 32.436 32.343 0.093 1
1 801 . 17 1 1 A 65 65 VAL N N 65 127.945 127.514 0.431 1
1 802 . 17 1 1 A 66 66 PRO HA H 66 4.385 4.703 -0.318 1
1 809 . 17 1 1 A 66 66 PRO C C 66 176.627 175.557 1.070 1
1 810 . 17 1 1 A 66 66 PRO CA C 66 62.511 62.073 0.438 1
1 811 . 17 1 1 A 66 66 PRO CB C 66 31.875 33.095 -1.220 1
1 814 . 17 1 1 A 67 67 LEU H H 67 8.236 8.289 -0.053 1
1 815 . 17 1 1 A 67 67 LEU HA H 67 4.181 4.497 -0.316 1
1 825 . 17 1 1 A 67 67 LEU C C 67 177.357 175.883 1.474 1
1 826 . 17 1 1 A 67 67 LEU CA C 67 55.352 53.821 1.531 1
1 827 . 17 1 1 A 67 67 LEU CB C 67 42.355 41.301 1.054 1
1 831 . 17 1 1 A 67 67 LEU N N 67 122.691 121.520 1.171 1
1 832 . 17 1 1 A 68 68 GLU H H 68 8.432 8.809 -0.377 1
1 833 . 17 1 1 A 68 68 GLU HA H 68 4.184 4.247 -0.063 1
1 838 . 17 1 1 A 68 68 GLU C C 68 176.054 175.151 0.903 1
1 839 . 17 1 1 A 68 68 GLU CA C 68 56.250 57.261 -1.011 1
1 840 . 17 1 1 A 68 68 GLU CB C 68 30.077 30.581 -0.504 1
1 842 . 17 1 1 A 68 68 GLU N N 68 121.298 125.852 -4.554 1
1 843 . 17 1 1 A 69 69 HIS H H 69 8.303 8.703 -0.400 1
1 844 . 17 1 1 A 69 69 HIS HA H 69 4.517 4.887 -0.370 1
1 849 . 17 1 1 A 69 69 HIS C C 69 173.863 174.189 -0.326 1
1 850 . 17 1 1 A 69 69 HIS CA C 69 55.663 53.961 1.702 1
1 851 . 17 1 1 A 69 69 HIS CB C 69 29.904 32.871 -2.967 1
1 1 . 18 1 1 A 2 2 ALA HA H 2 3.908 4.399 -0.491 1
1 5 . 18 1 1 A 2 2 ALA C C 2 174.665 177.312 -2.647 1
1 6 . 18 1 1 A 2 2 ALA CA C 2 51.696 52.103 -0.407 1
1 7 . 18 1 1 A 2 2 ALA CB C 2 19.380 19.206 0.174 1
1 8 . 18 1 1 A 3 3 MET H H 3 8.516 9.571 -1.055 1
1 9 . 18 1 1 A 3 3 MET HA H 3 4.349 5.161 -0.812 1
1 17 . 18 1 1 A 3 3 MET C C 3 173.119 174.117 -0.998 1
1 18 . 18 1 1 A 3 3 MET CA C 3 54.457 53.791 0.666 1
1 19 . 18 1 1 A 3 3 MET CB C 3 37.020 35.870 1.150 1
1 22 . 18 1 1 A 3 3 MET N N 3 118.958 121.886 -2.928 1
1 23 . 18 1 1 A 4 4 ASN H H 4 8.627 8.745 -0.118 1
1 24 . 18 1 1 A 4 4 ASN HA H 4 5.470 5.611 -0.141 1
1 29 . 18 1 1 A 4 4 ASN C C 4 175.782 174.116 1.666 1
1 30 . 18 1 1 A 4 4 ASN CA C 4 52.043 51.316 0.727 1
1 31 . 18 1 1 A 4 4 ASN CB C 4 41.102 41.360 -0.258 1
1 32 . 18 1 1 A 4 4 ASN N N 4 116.608 115.777 0.831 1
1 34 . 18 1 1 A 5 5 GLY H H 5 8.444 8.718 -0.274 1
1 35 . 18 1 1 A 5 5 GLY HA2 H 5 4.652 4.407 0.245 1
1 36 . 18 1 1 A 5 5 GLY HA3 H 5 3.710 4.622 -0.912 1
1 37 . 18 1 1 A 5 5 GLY C C 5 171.487 172.015 -0.528 1
1 38 . 18 1 1 A 5 5 GLY CA C 5 46.682 45.582 1.100 1
1 39 . 18 1 1 A 5 5 GLY N N 5 104.747 108.775 -4.028 1
1 40 . 18 1 1 A 6 6 THR H H 6 8.303 8.892 -0.589 1
1 41 . 18 1 1 A 6 6 THR HA H 6 5.193 5.304 -0.111 1
1 46 . 18 1 1 A 6 6 THR C C 6 173.634 174.068 -0.434 1
1 47 . 18 1 1 A 6 6 THR CA C 6 60.367 61.260 -0.893 1
1 48 . 18 1 1 A 6 6 THR CB C 6 72.071 71.437 0.634 1
1 50 . 18 1 1 A 6 6 THR N N 6 114.893 114.870 0.023 1
1 51 . 18 1 1 A 7 7 ILE H H 7 8.887 8.982 -0.095 1
1 52 . 18 1 1 A 7 7 ILE HA H 7 4.189 4.037 0.152 1
1 62 . 18 1 1 A 7 7 ILE C C 7 175.782 176.746 -0.964 1
1 63 . 18 1 1 A 7 7 ILE CA C 7 62.394 61.691 0.703 1
1 64 . 18 1 1 A 7 7 ILE CB C 7 37.461 36.671 0.790 1
1 68 . 18 1 1 A 7 7 ILE N N 7 125.014 127.064 -2.050 1
1 69 . 18 1 1 A 8 8 THR H H 8 8.968 8.599 0.369 1
1 70 . 18 1 1 A 8 8 THR HA H 8 4.583 4.479 0.104 1
1 75 . 18 1 1 A 8 8 THR C C 8 175.352 174.087 1.265 1
1 76 . 18 1 1 A 8 8 THR CA C 8 62.547 62.404 0.143 1
1 77 . 18 1 1 A 8 8 THR CB C 8 69.324 69.764 -0.440 1
1 79 . 18 1 1 A 8 8 THR N N 8 123.264 119.161 4.103 1
1 80 . 18 1 1 A 9 9 THR H H 9 7.744 7.785 -0.041 1
1 81 . 18 1 1 A 9 9 THR HA H 9 4.408 4.767 -0.359 1
1 86 . 18 1 1 A 9 9 THR C C 9 171.759 173.131 -1.372 1
1 87 . 18 1 1 A 9 9 THR CA C 9 61.370 62.127 -0.757 1
1 88 . 18 1 1 A 9 9 THR CB C 9 72.472 70.651 1.821 1
1 90 . 18 1 1 A 9 9 THR N N 9 116.608 114.022 2.586 1
1 91 . 18 1 1 A 10 10 TRP H H 10 8.620 8.416 0.204 1
1 92 . 18 1 1 A 10 10 TRP HA H 10 4.844 5.083 -0.239 1
1 101 . 18 1 1 A 10 10 TRP C C 10 172.833 173.681 -0.848 1
1 102 . 18 1 1 A 10 10 TRP CA C 10 55.471 56.092 -0.621 1
1 103 . 18 1 1 A 10 10 TRP CB C 10 32.843 32.815 0.028 1
1 109 . 18 1 1 A 10 10 TRP N N 10 126.095 127.529 -1.434 1
1 111 . 18 1 1 A 11 11 PHE H H 11 7.892 8.305 -0.413 1
1 112 . 18 1 1 A 11 11 PHE HA H 11 4.508 4.601 -0.093 1
1 120 . 18 1 1 A 11 11 PHE C C 11 174.493 174.962 -0.469 1
1 121 . 18 1 1 A 11 11 PHE CA C 11 54.001 55.657 -1.656 1
1 122 . 18 1 1 A 11 11 PHE CB C 11 36.906 40.065 -3.159 1
1 126 . 18 1 1 A 11 11 PHE N N 11 127.953 125.194 2.759 1
1 127 . 18 1 1 A 12 12 LYS H H 12 7.844 8.382 -0.538 1
1 128 . 18 1 1 A 12 12 LYS HA H 12 2.844 3.483 -0.639 1
1 137 . 18 1 1 A 12 12 LYS C C 12 177.701 177.595 0.106 1
1 138 . 18 1 1 A 12 12 LYS CA C 12 59.164 59.700 -0.536 1
1 139 . 18 1 1 A 12 12 LYS CB C 12 32.427 32.234 0.193 1
1 143 . 18 1 1 A 12 12 LYS N N 12 125.042 126.176 -1.134 1
1 144 . 18 1 1 A 13 13 ASP H H 13 8.638 8.233 0.405 1
1 145 . 18 1 1 A 13 13 ASP HA H 13 4.281 4.415 -0.134 1
1 148 . 18 1 1 A 13 13 ASP C C 13 176.827 178.243 -1.416 1
1 149 . 18 1 1 A 13 13 ASP CA C 13 55.401 56.642 -1.241 1
1 150 . 18 1 1 A 13 13 ASP CB C 13 39.349 40.470 -1.121 1
1 151 . 18 1 1 A 13 13 ASP N N 13 114.668 119.285 -4.617 1
1 152 . 18 1 1 A 14 14 LYS H H 14 6.965 7.382 -0.417 1
1 153 . 18 1 1 A 14 14 LYS HA H 14 4.425 4.143 0.282 1
1 162 . 18 1 1 A 14 14 LYS C C 14 176.913 177.054 -0.141 1
1 163 . 18 1 1 A 14 14 LYS CA C 14 55.288 56.166 -0.878 1
1 164 . 18 1 1 A 14 14 LYS CB C 14 34.562 32.520 2.042 1
1 168 . 18 1 1 A 14 14 LYS N N 14 116.507 117.244 -0.737 1
1 169 . 18 1 1 A 15 15 GLY H H 15 7.619 8.610 -0.991 1
1 170 . 18 1 1 A 15 15 GLY HA2 H 15 3.875 3.666 0.209 1
1 171 . 18 1 1 A 15 15 GLY HA3 H 15 3.499 3.827 -0.328 1
1 172 . 18 1 1 A 15 15 GLY C C 15 171.358 173.496 -2.138 1
1 173 . 18 1 1 A 15 15 GLY CA C 15 46.020 45.464 0.556 1
1 174 . 18 1 1 A 15 15 GLY N N 15 107.093 107.359 -0.266 1
1 175 . 18 1 1 A 16 16 PHE H H 16 6.663 6.759 -0.096 1
1 176 . 18 1 1 A 16 16 PHE HA H 16 4.866 5.284 -0.418 1
1 183 . 18 1 1 A 16 16 PHE C C 16 171.472 173.338 -1.866 1
1 184 . 18 1 1 A 16 16 PHE CA C 16 54.765 55.198 -0.433 1
1 185 . 18 1 1 A 16 16 PHE CB C 16 41.805 42.131 -0.326 1
1 188 . 18 1 1 A 16 16 PHE N N 16 112.369 113.711 -1.342 1
1 189 . 18 1 1 A 17 17 GLY H H 17 7.436 8.413 -0.977 1
1 190 . 18 1 1 A 17 17 GLY HA2 H 17 3.951 4.306 -0.355 1
1 191 . 18 1 1 A 17 17 GLY HA3 H 17 3.399 4.473 -1.074 1
1 192 . 18 1 1 A 17 17 GLY C C 17 169.926 171.393 -1.467 1
1 193 . 18 1 1 A 17 17 GLY CA C 17 45.073 46.087 -1.014 1
1 194 . 18 1 1 A 17 17 GLY N N 17 105.719 106.501 -0.782 1
1 195 . 18 1 1 A 18 18 PHE H H 18 8.505 9.157 -0.652 1
1 196 . 18 1 1 A 18 18 PHE HA H 18 5.728 5.605 0.123 1
1 204 . 18 1 1 A 18 18 PHE C C 18 175.023 174.778 0.245 1
1 205 . 18 1 1 A 18 18 PHE CA C 18 56.493 56.215 0.278 1
1 206 . 18 1 1 A 18 18 PHE CB C 18 43.783 42.256 1.527 1
1 210 . 18 1 1 A 18 18 PHE N N 18 113.767 118.982 -5.215 1
1 211 . 18 1 1 A 19 19 ILE H H 19 9.615 8.951 0.664 1
1 212 . 18 1 1 A 19 19 ILE HA H 19 4.679 4.741 -0.062 1
1 222 . 18 1 1 A 19 19 ILE C C 19 174.894 174.139 0.755 1
1 223 . 18 1 1 A 19 19 ILE CA C 19 58.585 60.087 -1.502 1
1 224 . 18 1 1 A 19 19 ILE CB C 19 43.854 40.064 3.790 1
1 228 . 18 1 1 A 19 19 ILE N N 19 122.746 123.079 -0.333 1
1 229 . 18 1 1 A 20 20 LYS H H 20 8.971 8.741 0.230 1
1 230 . 18 1 1 A 20 20 LYS HA H 20 5.241 5.282 -0.041 1
1 239 . 18 1 1 A 20 20 LYS C C 20 177.413 175.967 1.446 1
1 240 . 18 1 1 A 20 20 LYS CA C 20 54.622 54.849 -0.227 1
1 241 . 18 1 1 A 20 20 LYS CB C 20 33.070 35.272 -2.202 1
1 245 . 18 1 1 A 20 20 LYS N N 20 127.450 128.946 -1.496 1
1 246 . 18 1 1 A 21 21 ASP H H 21 9.363 8.242 1.121 1
1 247 . 18 1 1 A 21 21 ASP HA H 21 5.241 5.089 0.152 1
1 250 . 18 1 1 A 21 21 ASP C C 21 178.431 176.684 1.747 1
1 251 . 18 1 1 A 21 21 ASP CA C 21 52.981 52.434 0.547 1
1 252 . 18 1 1 A 21 21 ASP CB C 21 44.583 41.904 2.679 1
1 253 . 18 1 1 A 21 21 ASP N N 21 129.797 125.087 4.710 1
1 254 . 18 1 1 A 22 22 GLU H H 22 8.127 8.342 -0.215 1
1 255 . 18 1 1 A 22 22 GLU HA H 22 4.264 4.582 -0.318 1
1 260 . 18 1 1 A 22 22 GLU C C 22 176.226 176.830 -0.604 1
1 261 . 18 1 1 A 22 22 GLU CA C 22 57.515 56.667 0.848 1
1 262 . 18 1 1 A 22 22 GLU CB C 22 29.830 29.886 -0.056 1
1 264 . 18 1 1 A 22 22 GLU N N 22 115.545 117.904 -2.359 1
1 265 . 18 1 1 A 23 23 ASN H H 23 8.606 8.362 0.244 1
1 266 . 18 1 1 A 23 23 ASN HA H 23 4.963 4.977 -0.014 1
1 271 . 18 1 1 A 23 23 ASN C C 23 175.582 176.959 -1.377 1
1 272 . 18 1 1 A 23 23 ASN CA C 23 52.968 54.598 -1.630 1
1 273 . 18 1 1 A 23 23 ASN CB C 23 39.172 40.278 -1.106 1
1 274 . 18 1 1 A 23 23 ASN N N 23 118.707 119.188 -0.481 1
1 276 . 18 1 1 A 24 24 GLY H H 24 8.451 8.947 -0.496 1
1 277 . 18 1 1 A 24 24 GLY HA2 H 24 4.323 4.010 0.313 1
1 278 . 18 1 1 A 24 24 GLY HA3 H 24 3.484 4.035 -0.551 1
1 279 . 18 1 1 A 24 24 GLY C C 24 174.121 173.840 0.281 1
1 280 . 18 1 1 A 24 24 GLY CA C 24 44.816 46.219 -1.403 1
1 281 . 18 1 1 A 24 24 GLY N N 24 108.999 107.415 1.584 1
1 282 . 18 1 1 A 25 25 ASP H H 25 8.326 7.798 0.528 1
1 283 . 18 1 1 A 25 25 ASP HA H 25 4.792 4.917 -0.125 1
1 286 . 18 1 1 A 25 25 ASP C C 25 173.047 173.889 -0.842 1
1 287 . 18 1 1 A 25 25 ASP CA C 25 54.677 53.036 1.641 1
1 288 . 18 1 1 A 25 25 ASP CB C 25 41.577 43.669 -2.092 1
1 289 . 18 1 1 A 25 25 ASP N N 25 121.814 117.555 4.259 1
1 290 . 18 1 1 A 26 26 ASN H H 26 8.503 8.650 -0.147 1
1 291 . 18 1 1 A 26 26 ASN HA H 26 5.607 5.231 0.376 1
1 296 . 18 1 1 A 26 26 ASN C C 26 175.496 174.466 1.030 1
1 297 . 18 1 1 A 26 26 ASN CA C 26 52.290 53.040 -0.750 1
1 298 . 18 1 1 A 26 26 ASN CB C 26 40.017 40.099 -0.082 1
1 299 . 18 1 1 A 26 26 ASN N N 26 119.224 118.805 0.419 1
1 301 . 18 1 1 A 27 27 ARG H H 27 9.884 8.886 0.998 1
1 302 . 18 1 1 A 27 27 ARG HA H 27 4.720 5.080 -0.360 1
1 309 . 18 1 1 A 27 27 ARG C C 27 174.665 174.871 -0.206 1
1 310 . 18 1 1 A 27 27 ARG CA C 27 54.314 54.373 -0.059 1
1 311 . 18 1 1 A 27 27 ARG CB C 27 33.562 33.307 0.255 1
1 314 . 18 1 1 A 27 27 ARG N N 27 122.242 125.479 -3.237 1
1 315 . 18 1 1 A 28 28 TYR H H 28 8.314 9.063 -0.749 1
1 316 . 18 1 1 A 28 28 TYR HA H 28 4.365 5.021 -0.656 1
1 323 . 18 1 1 A 28 28 TYR C C 28 174.765 174.448 0.317 1
1 324 . 18 1 1 A 28 28 TYR CA C 28 58.102 58.724 -0.622 1
1 325 . 18 1 1 A 28 28 TYR CB C 28 39.606 39.507 0.099 1
1 328 . 18 1 1 A 28 28 TYR N N 28 126.908 123.946 2.962 1
1 329 . 18 1 1 A 29 29 PHE H H 29 7.873 8.996 -1.123 1
1 330 . 18 1 1 A 29 29 PHE HA H 29 5.159 4.887 0.272 1
1 338 . 18 1 1 A 29 29 PHE C C 29 169.840 174.263 -4.423 1
1 339 . 18 1 1 A 29 29 PHE CA C 29 56.025 56.218 -0.193 1
1 340 . 18 1 1 A 29 29 PHE CB C 29 42.454 43.226 -0.772 1
1 344 . 18 1 1 A 29 29 PHE N N 29 124.137 125.598 -1.461 1
1 345 . 18 1 1 A 30 30 HIS H H 30 8.255 8.502 -0.247 1
1 346 . 18 1 1 A 30 30 HIS HA H 30 4.819 5.203 -0.384 1
1 351 . 18 1 1 A 30 30 HIS C C 30 176.598 175.229 1.369 1
1 352 . 18 1 1 A 30 30 HIS CA C 30 55.040 55.327 -0.287 1
1 353 . 18 1 1 A 30 30 HIS CB C 30 35.066 33.273 1.793 1
1 356 . 18 1 1 A 30 30 HIS N N 30 119.922 121.277 -1.355 1
1 357 . 18 1 1 A 31 31 VAL H H 31 8.390 9.095 -0.705 1
1 358 . 18 1 1 A 31 31 VAL HA H 31 3.911 3.887 0.024 1
1 366 . 18 1 1 A 31 31 VAL C C 31 176.713 176.944 -0.231 1
1 367 . 18 1 1 A 31 31 VAL CA C 31 65.423 65.080 0.343 1
1 368 . 18 1 1 A 31 31 VAL CB C 31 32.354 31.884 0.470 1
1 371 . 18 1 1 A 31 31 VAL N N 31 126.977 124.743 2.234 1
1 372 . 18 1 1 A 32 32 ILE H H 32 10.207 7.540 2.667 1
1 373 . 18 1 1 A 32 32 ILE HA H 32 4.397 3.956 0.441 1
1 383 . 18 1 1 A 32 32 ILE C C 32 177.414 177.581 -0.167 1
1 384 . 18 1 1 A 32 32 ILE CA C 32 63.601 62.531 1.070 1
1 385 . 18 1 1 A 32 32 ILE CB C 32 38.023 37.717 0.306 1
1 389 . 18 1 1 A 32 32 ILE N N 32 123.360 120.386 2.974 1
1 390 . 18 1 1 A 33 33 LYS H H 33 8.435 7.688 0.747 1
1 391 . 18 1 1 A 33 33 LYS HA H 33 4.734 4.382 0.352 1
1 400 . 18 1 1 A 33 33 LYS C C 33 175.037 176.782 -1.745 1
1 401 . 18 1 1 A 33 33 LYS CA C 33 54.046 57.266 -3.220 1
1 402 . 18 1 1 A 33 33 LYS CB C 33 31.743 32.836 -1.093 1
1 406 . 18 1 1 A 33 33 LYS N N 33 118.502 119.698 -1.196 1
1 407 . 18 1 1 A 34 34 VAL H H 34 7.750 7.544 0.206 1
1 408 . 18 1 1 A 34 34 VAL HA H 34 4.672 4.151 0.521 1
1 416 . 18 1 1 A 34 34 VAL C C 34 175.911 175.564 0.347 1
1 417 . 18 1 1 A 34 34 VAL CA C 34 60.255 62.797 -2.542 1
1 418 . 18 1 1 A 34 34 VAL CB C 34 32.064 32.434 -0.370 1
1 421 . 18 1 1 A 34 34 VAL N N 34 120.487 120.403 0.084 1
1 422 . 18 1 1 A 35 35 ALA H H 35 9.109 8.863 0.246 1
1 423 . 18 1 1 A 35 35 ALA HA H 35 4.143 4.348 -0.205 1
1 427 . 18 1 1 A 35 35 ALA C C 35 177.887 177.735 0.152 1
1 428 . 18 1 1 A 35 35 ALA CA C 35 54.562 53.879 0.683 1
1 429 . 18 1 1 A 35 35 ALA CB C 35 18.880 19.970 -1.090 1
1 430 . 18 1 1 A 35 35 ALA N N 35 129.552 127.971 1.581 1
1 431 . 18 1 1 A 36 36 ASN H H 36 8.169 7.942 0.227 1
1 432 . 18 1 1 A 36 36 ASN HA H 36 5.108 5.066 0.042 1
1 437 . 18 1 1 A 36 36 ASN CA C 36 50.333 50.740 -0.407 1
1 438 . 18 1 1 A 36 36 ASN CB C 36 35.521 38.547 -3.026 1
1 439 . 18 1 1 A 36 36 ASN N N 36 112.302 114.555 -2.253 1
1 441 . 18 1 1 A 37 37 PRO HA H 37 3.891 4.320 -0.429 1
1 448 . 18 1 1 A 37 37 PRO C C 37 177.715 177.489 0.226 1
1 449 . 18 1 1 A 37 37 PRO CA C 37 64.104 64.535 -0.431 1
1 450 . 18 1 1 A 37 37 PRO CB C 37 32.380 31.976 0.404 1
1 453 . 18 1 1 A 38 38 ASP H H 38 8.843 8.329 0.514 1
1 454 . 18 1 1 A 38 38 ASP HA H 38 4.350 4.445 -0.095 1
1 457 . 18 1 1 A 38 38 ASP C C 38 176.942 177.262 -0.320 1
1 458 . 18 1 1 A 38 38 ASP CA C 38 56.035 56.447 -0.412 1
1 459 . 18 1 1 A 38 38 ASP CB C 38 39.249 41.032 -1.783 1
1 460 . 18 1 1 A 38 38 ASP N N 38 118.913 117.200 1.713 1
1 461 . 18 1 1 A 39 39 LEU H H 39 7.548 7.549 -0.001 1
1 462 . 18 1 1 A 39 39 LEU HA H 39 4.268 4.371 -0.103 1
1 472 . 18 1 1 A 39 39 LEU C C 39 176.727 176.665 0.062 1
1 473 . 18 1 1 A 39 39 LEU CA C 39 54.091 54.158 -0.067 1
1 474 . 18 1 1 A 39 39 LEU CB C 39 41.404 41.398 0.006 1
1 478 . 18 1 1 A 39 39 LEU N N 39 117.047 116.492 0.555 1
1 479 . 18 1 1 A 40 40 ILE H H 40 7.047 7.238 -0.191 1
1 480 . 18 1 1 A 40 40 ILE HA H 40 2.710 3.778 -1.068 1
1 490 . 18 1 1 A 40 40 ILE C C 40 174.794 175.403 -0.609 1
1 491 . 18 1 1 A 40 40 ILE CA C 40 64.352 61.638 2.714 1
1 492 . 18 1 1 A 40 40 ILE CB C 40 37.301 37.433 -0.132 1
1 496 . 18 1 1 A 40 40 ILE N N 40 118.412 121.417 -3.005 1
1 497 . 18 1 1 A 41 41 LYS H H 41 6.395 8.617 -2.222 1
1 498 . 18 1 1 A 41 41 LYS HA H 41 4.246 4.790 -0.544 1
1 507 . 18 1 1 A 41 41 LYS C C 41 174.422 175.024 -0.602 1
1 508 . 18 1 1 A 41 41 LYS CA C 41 54.521 53.946 0.575 1
1 509 . 18 1 1 A 41 41 LYS CB C 41 35.426 35.941 -0.515 1
1 513 . 18 1 1 A 41 41 LYS N N 41 122.843 124.158 -1.315 1
1 514 . 18 1 1 A 42 42 LYS H H 42 8.788 8.550 0.238 1
1 515 . 18 1 1 A 42 42 LYS HA H 42 3.603 4.154 -0.551 1
1 524 . 18 1 1 A 42 42 LYS C C 42 176.169 176.893 -0.724 1
1 525 . 18 1 1 A 42 42 LYS CA C 42 59.038 56.103 2.935 1
1 526 . 18 1 1 A 42 42 LYS CB C 42 31.981 33.256 -1.275 1
1 530 . 18 1 1 A 42 42 LYS N N 42 122.219 120.693 1.526 1
1 531 . 18 1 1 A 43 43 ASP H H 43 9.183 9.112 0.071 1
1 532 . 18 1 1 A 43 43 ASP HA H 43 4.191 4.278 -0.087 1
1 535 . 18 1 1 A 43 43 ASP C C 43 174.866 174.970 -0.104 1
1 536 . 18 1 1 A 43 43 ASP CA C 43 57.064 55.520 1.544 1
1 537 . 18 1 1 A 43 43 ASP CB C 43 38.724 40.502 -1.778 1
1 538 . 18 1 1 A 43 43 ASP N N 43 119.807 122.503 -2.696 1
1 539 . 18 1 1 A 44 44 ALA H H 44 7.669 7.704 -0.035 1
1 540 . 18 1 1 A 44 44 ALA HA H 44 4.273 4.437 -0.164 1
1 544 . 18 1 1 A 44 44 ALA C C 44 176.197 176.606 -0.409 1
1 545 . 18 1 1 A 44 44 ALA CA C 44 52.503 51.810 0.693 1
1 546 . 18 1 1 A 44 44 ALA CB C 44 19.511 20.587 -1.076 1
1 547 . 18 1 1 A 44 44 ALA N N 44 121.785 122.850 -1.065 1
1 548 . 18 1 1 A 45 45 ALA H H 45 8.522 8.492 0.030 1
1 549 . 18 1 1 A 45 45 ALA HA H 45 4.820 5.283 -0.463 1
1 553 . 18 1 1 A 45 45 ALA C C 45 177.128 176.888 0.240 1
1 554 . 18 1 1 A 45 45 ALA CA C 45 51.512 50.608 0.904 1
1 555 . 18 1 1 A 45 45 ALA CB C 45 19.306 20.913 -1.607 1
1 556 . 18 1 1 A 45 45 ALA N N 45 125.014 122.948 2.066 1
1 557 . 18 1 1 A 46 46 VAL H H 46 8.358 9.332 -0.974 1
1 558 . 18 1 1 A 46 46 VAL HA H 46 5.659 5.060 0.599 1
1 566 . 18 1 1 A 46 46 VAL C C 46 177.199 174.590 2.609 1
1 567 . 18 1 1 A 46 46 VAL CA C 46 57.919 59.196 -1.277 1
1 568 . 18 1 1 A 46 46 VAL CB C 46 36.362 35.726 0.636 1
1 571 . 18 1 1 A 46 46 VAL N N 46 109.774 116.413 -6.639 1
1 572 . 18 1 1 A 47 47 THR H H 47 8.902 9.353 -0.451 1
1 573 . 18 1 1 A 47 47 THR HA H 47 5.462 5.553 -0.091 1
1 578 . 18 1 1 A 47 47 THR C C 47 173.405 173.809 -0.404 1
1 579 . 18 1 1 A 47 47 THR CA C 47 60.139 59.644 0.495 1
1 580 . 18 1 1 A 47 47 THR CB C 47 71.233 71.160 0.073 1
1 582 . 18 1 1 A 47 47 THR N N 47 112.758 115.194 -2.436 1
1 583 . 18 1 1 A 48 48 PHE H H 48 8.423 8.893 -0.470 1
1 584 . 18 1 1 A 48 48 PHE HA H 48 5.099 5.220 -0.121 1
1 591 . 18 1 1 A 48 48 PHE C C 48 172.231 172.320 -0.089 1
1 592 . 18 1 1 A 48 48 PHE CA C 48 56.390 55.837 0.553 1
1 593 . 18 1 1 A 48 48 PHE CB C 48 41.169 41.430 -0.261 1
1 596 . 18 1 1 A 48 48 PHE N N 48 115.866 118.508 -2.642 1
1 597 . 18 1 1 A 49 49 GLU H H 49 8.622 8.626 -0.004 1
1 598 . 18 1 1 A 49 49 GLU HA H 49 4.907 4.843 0.064 1
1 603 . 18 1 1 A 49 49 GLU CA C 49 51.497 52.983 -1.486 1
1 604 . 18 1 1 A 49 49 GLU CB C 49 28.890 31.305 -2.415 1
1 606 . 18 1 1 A 49 49 GLU N N 49 117.484 119.407 -1.923 1
1 607 . 18 1 1 A 50 50 PRO HA H 50 4.829 5.105 -0.276 1
1 614 . 18 1 1 A 50 50 PRO C C 50 175.925 175.431 0.494 1
1 615 . 18 1 1 A 50 50 PRO CA C 50 62.593 62.489 0.104 1
1 616 . 18 1 1 A 50 50 PRO CB C 50 32.917 32.480 0.437 1
1 619 . 18 1 1 A 51 51 THR H H 51 7.621 8.986 -1.365 1
1 620 . 18 1 1 A 51 51 THR HA H 51 4.742 4.969 -0.227 1
1 625 . 18 1 1 A 51 51 THR C C 51 172.074 172.887 -0.813 1
1 626 . 18 1 1 A 51 51 THR CA C 51 60.558 59.996 0.562 1
1 627 . 18 1 1 A 51 51 THR CB C 51 68.841 71.869 -3.028 1
1 629 . 18 1 1 A 51 51 THR N N 51 112.909 116.709 -3.800 1
1 630 . 18 1 1 A 52 52 THR H H 52 8.367 8.686 -0.319 1
1 631 . 18 1 1 A 52 52 THR HA H 52 4.975 4.813 0.162 1
1 636 . 18 1 1 A 52 52 THR C C 52 173.047 173.466 -0.419 1
1 637 . 18 1 1 A 52 52 THR CA C 52 60.794 61.562 -0.768 1
1 638 . 18 1 1 A 52 52 THR CB C 52 71.210 70.653 0.557 1
1 640 . 18 1 1 A 52 52 THR N N 52 117.260 120.975 -3.715 1
1 641 . 18 1 1 A 53 53 ASN H H 53 8.827 8.240 0.587 1
1 642 . 18 1 1 A 53 53 ASN HA H 53 4.756 5.172 -0.416 1
1 647 . 18 1 1 A 53 53 ASN CA C 53 53.430 51.577 1.853 1
1 648 . 18 1 1 A 53 53 ASN CB C 53 38.660 41.904 -3.244 1
1 649 . 18 1 1 A 53 53 ASN N N 53 122.737 122.293 0.444 1
1 651 . 18 1 1 A 54 54 ASN HA H 54 4.420 4.400 0.020 1
1 656 . 18 1 1 A 54 54 ASN C C 54 176.154 175.842 0.312 1
1 657 . 18 1 1 A 54 54 ASN CA C 54 55.580 56.402 -0.822 1
1 658 . 18 1 1 A 54 54 ASN CB C 54 36.917 38.178 -1.261 1
1 660 . 18 1 1 A 55 55 LYS H H 55 8.190 7.597 0.593 1
1 661 . 18 1 1 A 55 55 LYS HA H 55 4.225 4.249 -0.024 1
1 670 . 18 1 1 A 55 55 LYS C C 55 176.154 175.794 0.360 1
1 671 . 18 1 1 A 55 55 LYS CA C 55 55.113 55.384 -0.271 1
1 672 . 18 1 1 A 55 55 LYS CB C 55 31.703 32.315 -0.612 1
1 676 . 18 1 1 A 55 55 LYS N N 55 117.935 114.980 2.955 1
1 677 . 18 1 1 A 56 56 GLY H H 56 7.966 7.384 0.582 1
1 678 . 18 1 1 A 56 56 GLY HA2 H 56 4.496 4.099 0.397 1
1 679 . 18 1 1 A 56 56 GLY HA3 H 56 3.794 4.104 -0.310 1
1 680 . 18 1 1 A 56 56 GLY C C 56 173.262 171.894 1.368 1
1 681 . 18 1 1 A 56 56 GLY CA C 56 44.177 45.483 -1.306 1
1 682 . 18 1 1 A 56 56 GLY N N 56 108.898 107.481 1.417 1
1 683 . 18 1 1 A 57 57 LEU H H 57 8.716 8.498 0.218 1
1 684 . 18 1 1 A 57 57 LEU HA H 57 4.442 5.072 -0.630 1
1 694 . 18 1 1 A 57 57 LEU C C 57 178.488 175.494 2.994 1
1 695 . 18 1 1 A 57 57 LEU CA C 57 56.424 53.566 2.858 1
1 696 . 18 1 1 A 57 57 LEU CB C 57 42.582 44.087 -1.505 1
1 700 . 18 1 1 A 57 57 LEU N N 57 122.286 123.892 -1.606 1
1 701 . 18 1 1 A 58 58 SER H H 58 9.033 8.500 0.533 1
1 702 . 18 1 1 A 58 58 SER HA H 58 5.696 5.153 0.543 1
1 705 . 18 1 1 A 58 58 SER C C 58 173.820 172.399 1.421 1
1 706 . 18 1 1 A 58 58 SER CA C 58 56.715 56.845 -0.130 1
1 707 . 18 1 1 A 58 58 SER CB C 58 65.779 67.129 -1.350 1
1 708 . 18 1 1 A 58 58 SER N N 58 117.913 116.305 1.608 1
1 709 . 18 1 1 A 59 59 ALA H H 59 8.775 7.836 0.939 1
1 710 . 18 1 1 A 59 59 ALA HA H 59 5.409 5.373 0.036 1
1 714 . 18 1 1 A 59 59 ALA C C 59 174.966 175.605 -0.639 1
1 715 . 18 1 1 A 59 59 ALA CA C 59 50.783 50.309 0.474 1
1 716 . 18 1 1 A 59 59 ALA CB C 59 23.985 23.303 0.682 1
1 717 . 18 1 1 A 59 59 ALA N N 59 125.556 121.923 3.633 1
1 718 . 18 1 1 A 60 60 TYR H H 60 9.347 8.987 0.360 1
1 719 . 18 1 1 A 60 60 TYR HA H 60 5.030 5.070 -0.040 1
1 726 . 18 1 1 A 60 60 TYR C C 60 171.673 174.230 -2.557 1
1 727 . 18 1 1 A 60 60 TYR CA C 60 55.484 55.840 -0.356 1
1 728 . 18 1 1 A 60 60 TYR CB C 60 39.502 41.349 -1.847 1
1 731 . 18 1 1 A 60 60 TYR N N 60 118.946 116.151 2.795 1
1 732 . 18 1 1 A 61 61 ALA H H 61 9.176 8.622 0.554 1
1 733 . 18 1 1 A 61 61 ALA HA H 61 4.116 3.866 0.250 1
1 737 . 18 1 1 A 61 61 ALA C C 61 175.825 176.553 -0.728 1
1 738 . 18 1 1 A 61 61 ALA CA C 61 52.809 52.824 -0.015 1
1 739 . 18 1 1 A 61 61 ALA CB C 61 16.597 17.137 -0.540 1
1 740 . 18 1 1 A 61 61 ALA N N 61 124.113 120.498 3.615 1
1 741 . 18 1 1 A 62 62 VAL H H 62 7.968 8.175 -0.207 1
1 742 . 18 1 1 A 62 62 VAL HA H 62 4.300 4.211 0.089 1
1 750 . 18 1 1 A 62 62 VAL C C 62 175.395 174.816 0.579 1
1 751 . 18 1 1 A 62 62 VAL CA C 62 62.252 62.781 -0.529 1
1 752 . 18 1 1 A 62 62 VAL CB C 62 31.435 31.367 0.068 1
1 755 . 18 1 1 A 62 62 VAL N N 62 116.561 118.178 -1.617 1
1 756 . 18 1 1 A 63 63 LYS H H 63 9.208 9.473 -0.265 1
1 757 . 18 1 1 A 63 63 LYS HA H 63 4.633 4.884 -0.251 1
1 766 . 18 1 1 A 63 63 LYS C C 63 175.238 175.395 -0.157 1
1 767 . 18 1 1 A 63 63 LYS CA C 63 54.729 54.971 -0.242 1
1 768 . 18 1 1 A 63 63 LYS CB C 63 34.859 33.868 0.991 1
1 772 . 18 1 1 A 63 63 LYS N N 63 128.892 128.601 0.291 1
1 773 . 18 1 1 A 64 64 VAL H H 64 9.588 8.937 0.651 1
1 774 . 18 1 1 A 64 64 VAL HA H 64 4.345 4.228 0.117 1
1 782 . 18 1 1 A 64 64 VAL C C 64 176.856 175.541 1.315 1
1 783 . 18 1 1 A 64 64 VAL CA C 64 62.563 62.632 -0.069 1
1 784 . 18 1 1 A 64 64 VAL CB C 64 30.916 32.159 -1.243 1
1 787 . 18 1 1 A 64 64 VAL N N 64 126.595 127.832 -1.237 1
1 788 . 18 1 1 A 65 65 VAL H H 65 8.597 8.633 -0.036 1
1 789 . 18 1 1 A 65 65 VAL HA H 65 4.370 4.547 -0.177 1
1 797 . 18 1 1 A 65 65 VAL CA C 65 62.480 59.346 3.134 1
1 798 . 18 1 1 A 65 65 VAL CB C 65 32.436 31.784 0.652 1
1 801 . 18 1 1 A 65 65 VAL N N 65 127.945 127.154 0.791 1
1 802 . 18 1 1 A 66 66 PRO HA H 66 4.385 4.658 -0.273 1
1 809 . 18 1 1 A 66 66 PRO C C 66 176.627 177.463 -0.836 1
1 810 . 18 1 1 A 66 66 PRO CA C 66 62.511 62.527 -0.016 1
1 811 . 18 1 1 A 66 66 PRO CB C 66 31.875 31.883 -0.008 1
1 814 . 18 1 1 A 67 67 LEU H H 67 8.236 8.835 -0.599 1
1 815 . 18 1 1 A 67 67 LEU HA H 67 4.181 4.155 0.026 1
1 825 . 18 1 1 A 67 67 LEU C C 67 177.357 177.255 0.102 1
1 826 . 18 1 1 A 67 67 LEU CA C 67 55.352 57.352 -2.000 1
1 827 . 18 1 1 A 67 67 LEU CB C 67 42.355 42.696 -0.341 1
1 831 . 18 1 1 A 67 67 LEU N N 67 122.691 119.988 2.703 1
1 832 . 18 1 1 A 68 68 GLU H H 68 8.432 7.887 0.545 1
1 833 . 18 1 1 A 68 68 GLU HA H 68 4.184 4.748 -0.564 1
1 838 . 18 1 1 A 68 68 GLU C C 68 176.054 175.795 0.259 1
1 839 . 18 1 1 A 68 68 GLU CA C 68 56.250 54.550 1.700 1
1 840 . 18 1 1 A 68 68 GLU CB C 68 30.077 32.980 -2.903 1
1 842 . 18 1 1 A 68 68 GLU N N 68 121.298 117.068 4.230 1
1 843 . 18 1 1 A 69 69 HIS H H 69 8.303 9.241 -0.938 1
1 844 . 18 1 1 A 69 69 HIS HA H 69 4.517 4.925 -0.408 1
1 849 . 18 1 1 A 69 69 HIS C C 69 173.863 174.851 -0.988 1
1 850 . 18 1 1 A 69 69 HIS CA C 69 55.663 55.297 0.366 1
1 851 . 18 1 1 A 69 69 HIS CB C 69 29.904 30.554 -0.650 1
1 1 . 19 1 1 A 2 2 ALA HA H 2 3.908 4.942 -1.034 1
1 5 . 19 1 1 A 2 2 ALA C C 2 174.665 176.746 -2.081 1
1 6 . 19 1 1 A 2 2 ALA CA C 2 51.696 50.766 0.930 1
1 7 . 19 1 1 A 2 2 ALA CB C 2 19.380 20.221 -0.841 1
1 8 . 19 1 1 A 3 3 MET H H 3 8.516 8.806 -0.290 1
1 9 . 19 1 1 A 3 3 MET HA H 3 4.349 5.037 -0.688 1
1 17 . 19 1 1 A 3 3 MET C C 3 173.119 174.456 -1.337 1
1 18 . 19 1 1 A 3 3 MET CA C 3 54.457 53.548 0.909 1
1 19 . 19 1 1 A 3 3 MET CB C 3 37.020 35.176 1.844 1
1 22 . 19 1 1 A 3 3 MET N N 3 118.958 122.284 -3.326 1
1 23 . 19 1 1 A 4 4 ASN H H 4 8.627 8.275 0.352 1
1 24 . 19 1 1 A 4 4 ASN HA H 4 5.470 5.373 0.097 1
1 29 . 19 1 1 A 4 4 ASN C C 4 175.782 175.376 0.406 1
1 30 . 19 1 1 A 4 4 ASN CA C 4 52.043 51.259 0.784 1
1 31 . 19 1 1 A 4 4 ASN CB C 4 41.102 40.945 0.157 1
1 32 . 19 1 1 A 4 4 ASN N N 4 116.608 119.189 -2.581 1
1 34 . 19 1 1 A 5 5 GLY H H 5 8.444 8.373 0.071 1
1 35 . 19 1 1 A 5 5 GLY HA2 H 5 4.652 4.423 0.229 1
1 36 . 19 1 1 A 5 5 GLY HA3 H 5 3.710 4.619 -0.909 1
1 37 . 19 1 1 A 5 5 GLY C C 5 171.487 171.789 -0.302 1
1 38 . 19 1 1 A 5 5 GLY CA C 5 46.682 45.481 1.201 1
1 39 . 19 1 1 A 5 5 GLY N N 5 104.747 107.542 -2.795 1
1 40 . 19 1 1 A 6 6 THR H H 6 8.303 8.996 -0.693 1
1 41 . 19 1 1 A 6 6 THR HA H 6 5.193 5.231 -0.038 1
1 46 . 19 1 1 A 6 6 THR C C 6 173.634 174.404 -0.770 1
1 47 . 19 1 1 A 6 6 THR CA C 6 60.367 61.194 -0.827 1
1 48 . 19 1 1 A 6 6 THR CB C 6 72.071 71.039 1.032 1
1 50 . 19 1 1 A 6 6 THR N N 6 114.893 114.874 0.019 1
1 51 . 19 1 1 A 7 7 ILE H H 7 8.887 9.068 -0.181 1
1 52 . 19 1 1 A 7 7 ILE HA H 7 4.189 3.997 0.192 1
1 62 . 19 1 1 A 7 7 ILE C C 7 175.782 175.754 0.028 1
1 63 . 19 1 1 A 7 7 ILE CA C 7 62.394 62.003 0.391 1
1 64 . 19 1 1 A 7 7 ILE CB C 7 37.461 36.744 0.717 1
1 68 . 19 1 1 A 7 7 ILE N N 7 125.014 127.190 -2.176 1
1 69 . 19 1 1 A 8 8 THR H H 8 8.968 8.789 0.179 1
1 70 . 19 1 1 A 8 8 THR HA H 8 4.583 4.411 0.172 1
1 75 . 19 1 1 A 8 8 THR C C 8 175.352 174.749 0.603 1
1 76 . 19 1 1 A 8 8 THR CA C 8 62.547 63.423 -0.876 1
1 77 . 19 1 1 A 8 8 THR CB C 8 69.324 69.514 -0.190 1
1 79 . 19 1 1 A 8 8 THR N N 8 123.264 122.991 0.273 1
1 80 . 19 1 1 A 9 9 THR H H 9 7.744 7.844 -0.100 1
1 81 . 19 1 1 A 9 9 THR HA H 9 4.408 5.033 -0.625 1
1 86 . 19 1 1 A 9 9 THR C C 9 171.759 172.313 -0.554 1
1 87 . 19 1 1 A 9 9 THR CA C 9 61.370 61.876 -0.506 1
1 88 . 19 1 1 A 9 9 THR CB C 9 72.472 72.963 -0.491 1
1 90 . 19 1 1 A 9 9 THR N N 9 116.608 112.641 3.967 1
1 91 . 19 1 1 A 10 10 TRP H H 10 8.620 8.490 0.130 1
1 92 . 19 1 1 A 10 10 TRP HA H 10 4.844 5.066 -0.222 1
1 101 . 19 1 1 A 10 10 TRP C C 10 172.833 174.060 -1.227 1
1 102 . 19 1 1 A 10 10 TRP CA C 10 55.471 56.477 -1.006 1
1 103 . 19 1 1 A 10 10 TRP CB C 10 32.843 33.002 -0.159 1
1 109 . 19 1 1 A 10 10 TRP N N 10 126.095 127.489 -1.394 1
1 111 . 19 1 1 A 11 11 PHE H H 11 7.892 8.569 -0.677 1
1 112 . 19 1 1 A 11 11 PHE HA H 11 4.508 4.648 -0.140 1
1 120 . 19 1 1 A 11 11 PHE C C 11 174.493 175.074 -0.581 1
1 121 . 19 1 1 A 11 11 PHE CA C 11 54.001 55.792 -1.791 1
1 122 . 19 1 1 A 11 11 PHE CB C 11 36.906 39.176 -2.270 1
1 126 . 19 1 1 A 11 11 PHE N N 11 127.953 126.340 1.613 1
1 127 . 19 1 1 A 12 12 LYS H H 12 7.844 7.874 -0.030 1
1 128 . 19 1 1 A 12 12 LYS HA H 12 2.844 3.065 -0.221 1
1 137 . 19 1 1 A 12 12 LYS C C 12 177.701 177.656 0.045 1
1 138 . 19 1 1 A 12 12 LYS CA C 12 59.164 59.743 -0.579 1
1 139 . 19 1 1 A 12 12 LYS CB C 12 32.427 32.066 0.361 1
1 143 . 19 1 1 A 12 12 LYS N N 12 125.042 124.766 0.276 1
1 144 . 19 1 1 A 13 13 ASP H H 13 8.638 8.091 0.547 1
1 145 . 19 1 1 A 13 13 ASP HA H 13 4.281 4.404 -0.123 1
1 148 . 19 1 1 A 13 13 ASP C C 13 176.827 178.363 -1.536 1
1 149 . 19 1 1 A 13 13 ASP CA C 13 55.401 56.894 -1.493 1
1 150 . 19 1 1 A 13 13 ASP CB C 13 39.349 40.112 -0.763 1
1 151 . 19 1 1 A 13 13 ASP N N 13 114.668 119.836 -5.168 1
1 152 . 19 1 1 A 14 14 LYS H H 14 6.965 7.773 -0.808 1
1 153 . 19 1 1 A 14 14 LYS HA H 14 4.425 4.349 0.076 1
1 162 . 19 1 1 A 14 14 LYS C C 14 176.913 176.674 0.239 1
1 163 . 19 1 1 A 14 14 LYS CA C 14 55.288 57.274 -1.986 1
1 164 . 19 1 1 A 14 14 LYS CB C 14 34.562 33.455 1.107 1
1 168 . 19 1 1 A 14 14 LYS N N 14 116.507 117.817 -1.310 1
1 169 . 19 1 1 A 15 15 GLY H H 15 7.619 8.448 -0.829 1
1 170 . 19 1 1 A 15 15 GLY HA2 H 15 3.875 3.668 0.207 1
1 171 . 19 1 1 A 15 15 GLY HA3 H 15 3.499 3.728 -0.229 1
1 172 . 19 1 1 A 15 15 GLY C C 15 171.358 173.444 -2.086 1
1 173 . 19 1 1 A 15 15 GLY CA C 15 46.020 45.239 0.781 1
1 174 . 19 1 1 A 15 15 GLY N N 15 107.093 107.460 -0.367 1
1 175 . 19 1 1 A 16 16 PHE H H 16 6.663 8.040 -1.377 1
1 176 . 19 1 1 A 16 16 PHE HA H 16 4.866 5.133 -0.267 1
1 183 . 19 1 1 A 16 16 PHE C C 16 171.472 175.099 -3.627 1
1 184 . 19 1 1 A 16 16 PHE CA C 16 54.765 55.912 -1.147 1
1 185 . 19 1 1 A 16 16 PHE CB C 16 41.805 42.590 -0.785 1
1 188 . 19 1 1 A 16 16 PHE N N 16 112.369 118.918 -6.549 1
1 189 . 19 1 1 A 17 17 GLY H H 17 7.436 8.144 -0.708 1
1 190 . 19 1 1 A 17 17 GLY HA2 H 17 3.951 4.299 -0.348 1
1 191 . 19 1 1 A 17 17 GLY HA3 H 17 3.399 4.533 -1.134 1
1 192 . 19 1 1 A 17 17 GLY C C 17 169.926 171.379 -1.453 1
1 193 . 19 1 1 A 17 17 GLY CA C 17 45.073 45.709 -0.636 1
1 194 . 19 1 1 A 17 17 GLY N N 17 105.719 108.328 -2.609 1
1 195 . 19 1 1 A 18 18 PHE H H 18 8.505 9.074 -0.569 1
1 196 . 19 1 1 A 18 18 PHE HA H 18 5.728 5.545 0.183 1
1 204 . 19 1 1 A 18 18 PHE C C 18 175.023 175.215 -0.192 1
1 205 . 19 1 1 A 18 18 PHE CA C 18 56.493 56.022 0.471 1
1 206 . 19 1 1 A 18 18 PHE CB C 18 43.783 42.485 1.298 1
1 210 . 19 1 1 A 18 18 PHE N N 18 113.767 118.756 -4.989 1
1 211 . 19 1 1 A 19 19 ILE H H 19 9.615 8.953 0.662 1
1 212 . 19 1 1 A 19 19 ILE HA H 19 4.679 4.913 -0.234 1
1 222 . 19 1 1 A 19 19 ILE C C 19 174.894 175.085 -0.191 1
1 223 . 19 1 1 A 19 19 ILE CA C 19 58.585 60.297 -1.712 1
1 224 . 19 1 1 A 19 19 ILE CB C 19 43.854 41.889 1.965 1
1 228 . 19 1 1 A 19 19 ILE N N 19 122.746 122.772 -0.026 1
1 229 . 19 1 1 A 20 20 LYS H H 20 8.971 8.351 0.620 1
1 230 . 19 1 1 A 20 20 LYS HA H 20 5.241 5.180 0.061 1
1 239 . 19 1 1 A 20 20 LYS C C 20 177.413 176.204 1.209 1
1 240 . 19 1 1 A 20 20 LYS CA C 20 54.622 55.843 -1.221 1
1 241 . 19 1 1 A 20 20 LYS CB C 20 33.070 33.465 -0.395 1
1 245 . 19 1 1 A 20 20 LYS N N 20 127.450 126.797 0.653 1
1 246 . 19 1 1 A 21 21 ASP H H 21 9.363 7.962 1.401 1
1 247 . 19 1 1 A 21 21 ASP HA H 21 5.241 5.102 0.139 1
1 250 . 19 1 1 A 21 21 ASP C C 21 178.431 177.408 1.023 1
1 251 . 19 1 1 A 21 21 ASP CA C 21 52.981 51.877 1.104 1
1 252 . 19 1 1 A 21 21 ASP CB C 21 44.583 42.677 1.906 1
1 253 . 19 1 1 A 21 21 ASP N N 21 129.797 121.490 8.307 1
1 254 . 19 1 1 A 22 22 GLU H H 22 8.127 8.521 -0.394 1
1 255 . 19 1 1 A 22 22 GLU HA H 22 4.264 3.972 0.292 1
1 260 . 19 1 1 A 22 22 GLU C C 22 176.226 178.994 -2.768 1
1 261 . 19 1 1 A 22 22 GLU CA C 22 57.515 59.636 -2.121 1
1 262 . 19 1 1 A 22 22 GLU CB C 22 29.830 29.350 0.480 1
1 264 . 19 1 1 A 22 22 GLU N N 22 115.545 117.900 -2.355 1
1 265 . 19 1 1 A 23 23 ASN H H 23 8.606 7.964 0.642 1
1 266 . 19 1 1 A 23 23 ASN HA H 23 4.963 4.703 0.260 1
1 271 . 19 1 1 A 23 23 ASN C C 23 175.582 175.524 0.058 1
1 272 . 19 1 1 A 23 23 ASN CA C 23 52.968 53.780 -0.812 1
1 273 . 19 1 1 A 23 23 ASN CB C 23 39.172 39.061 0.111 1
1 274 . 19 1 1 A 23 23 ASN N N 23 118.707 115.932 2.775 1
1 276 . 19 1 1 A 24 24 GLY H H 24 8.451 8.642 -0.191 1
1 277 . 19 1 1 A 24 24 GLY HA2 H 24 4.323 3.990 0.333 1
1 278 . 19 1 1 A 24 24 GLY HA3 H 24 3.484 3.999 -0.515 1
1 279 . 19 1 1 A 24 24 GLY C C 24 174.121 173.312 0.809 1
1 280 . 19 1 1 A 24 24 GLY CA C 24 44.816 45.597 -0.781 1
1 281 . 19 1 1 A 24 24 GLY N N 24 108.999 107.081 1.918 1
1 282 . 19 1 1 A 25 25 ASP H H 25 8.326 7.350 0.976 1
1 283 . 19 1 1 A 25 25 ASP HA H 25 4.792 5.147 -0.355 1
1 286 . 19 1 1 A 25 25 ASP C C 25 173.047 174.697 -1.650 1
1 287 . 19 1 1 A 25 25 ASP CA C 25 54.677 53.050 1.627 1
1 288 . 19 1 1 A 25 25 ASP CB C 25 41.577 45.335 -3.758 1
1 289 . 19 1 1 A 25 25 ASP N N 25 121.814 119.336 2.478 1
1 290 . 19 1 1 A 26 26 ASN H H 26 8.503 8.765 -0.262 1
1 291 . 19 1 1 A 26 26 ASN HA H 26 5.607 5.559 0.048 1
1 296 . 19 1 1 A 26 26 ASN C C 26 175.496 174.759 0.737 1
1 297 . 19 1 1 A 26 26 ASN CA C 26 52.290 52.074 0.216 1
1 298 . 19 1 1 A 26 26 ASN CB C 26 40.017 39.987 0.030 1
1 299 . 19 1 1 A 26 26 ASN N N 26 119.224 119.341 -0.117 1
1 301 . 19 1 1 A 27 27 ARG H H 27 9.884 9.232 0.652 1
1 302 . 19 1 1 A 27 27 ARG HA H 27 4.720 5.275 -0.555 1
1 309 . 19 1 1 A 27 27 ARG C C 27 174.665 174.552 0.113 1
1 310 . 19 1 1 A 27 27 ARG CA C 27 54.314 54.688 -0.374 1
1 311 . 19 1 1 A 27 27 ARG CB C 27 33.562 32.888 0.674 1
1 314 . 19 1 1 A 27 27 ARG N N 27 122.242 123.063 -0.821 1
1 315 . 19 1 1 A 28 28 TYR H H 28 8.314 8.676 -0.362 1
1 316 . 19 1 1 A 28 28 TYR HA H 28 4.365 4.747 -0.382 1
1 323 . 19 1 1 A 28 28 TYR C C 28 174.765 174.222 0.543 1
1 324 . 19 1 1 A 28 28 TYR CA C 28 58.102 57.500 0.602 1
1 325 . 19 1 1 A 28 28 TYR CB C 28 39.606 39.151 0.455 1
1 328 . 19 1 1 A 28 28 TYR N N 28 126.908 124.604 2.304 1
1 329 . 19 1 1 A 29 29 PHE H H 29 7.873 9.061 -1.188 1
1 330 . 19 1 1 A 29 29 PHE HA H 29 5.159 5.161 -0.002 1
1 338 . 19 1 1 A 29 29 PHE C C 29 169.840 174.692 -4.852 1
1 339 . 19 1 1 A 29 29 PHE CA C 29 56.025 56.743 -0.718 1
1 340 . 19 1 1 A 29 29 PHE CB C 29 42.454 42.427 0.027 1
1 344 . 19 1 1 A 29 29 PHE N N 29 124.137 126.402 -2.265 1
1 345 . 19 1 1 A 30 30 HIS H H 30 8.255 8.701 -0.446 1
1 346 . 19 1 1 A 30 30 HIS HA H 30 4.819 5.373 -0.554 1
1 351 . 19 1 1 A 30 30 HIS C C 30 176.598 175.234 1.364 1
1 352 . 19 1 1 A 30 30 HIS CA C 30 55.040 55.414 -0.374 1
1 353 . 19 1 1 A 30 30 HIS CB C 30 35.066 33.246 1.820 1
1 356 . 19 1 1 A 30 30 HIS N N 30 119.922 121.594 -1.672 1
1 357 . 19 1 1 A 31 31 VAL H H 31 8.390 9.204 -0.814 1
1 358 . 19 1 1 A 31 31 VAL HA H 31 3.911 3.799 0.112 1
1 366 . 19 1 1 A 31 31 VAL C C 31 176.713 176.985 -0.272 1
1 367 . 19 1 1 A 31 31 VAL CA C 31 65.423 65.330 0.093 1
1 368 . 19 1 1 A 31 31 VAL CB C 31 32.354 31.800 0.554 1
1 371 . 19 1 1 A 31 31 VAL N N 31 126.977 125.127 1.850 1
1 372 . 19 1 1 A 32 32 ILE H H 32 10.207 7.341 2.866 1
1 373 . 19 1 1 A 32 32 ILE HA H 32 4.397 3.770 0.627 1
1 383 . 19 1 1 A 32 32 ILE C C 32 177.414 177.804 -0.390 1
1 384 . 19 1 1 A 32 32 ILE CA C 32 63.601 62.666 0.935 1
1 385 . 19 1 1 A 32 32 ILE CB C 32 38.023 37.424 0.599 1
1 389 . 19 1 1 A 32 32 ILE N N 32 123.360 120.441 2.919 1
1 390 . 19 1 1 A 33 33 LYS H H 33 8.435 7.914 0.521 1
1 391 . 19 1 1 A 33 33 LYS HA H 33 4.734 4.398 0.336 1
1 400 . 19 1 1 A 33 33 LYS C C 33 175.037 177.046 -2.009 1
1 401 . 19 1 1 A 33 33 LYS CA C 33 54.046 57.908 -3.862 1
1 402 . 19 1 1 A 33 33 LYS CB C 33 31.743 33.042 -1.299 1
1 406 . 19 1 1 A 33 33 LYS N N 33 118.502 119.935 -1.433 1
1 407 . 19 1 1 A 34 34 VAL H H 34 7.750 7.596 0.154 1
1 408 . 19 1 1 A 34 34 VAL HA H 34 4.672 4.379 0.293 1
1 416 . 19 1 1 A 34 34 VAL C C 34 175.911 175.659 0.252 1
1 417 . 19 1 1 A 34 34 VAL CA C 34 60.255 62.655 -2.400 1
1 418 . 19 1 1 A 34 34 VAL CB C 34 32.064 32.318 -0.254 1
1 421 . 19 1 1 A 34 34 VAL N N 34 120.487 119.781 0.706 1
1 422 . 19 1 1 A 35 35 ALA H H 35 9.109 9.061 0.048 1
1 423 . 19 1 1 A 35 35 ALA HA H 35 4.143 4.283 -0.140 1
1 427 . 19 1 1 A 35 35 ALA C C 35 177.887 177.748 0.139 1
1 428 . 19 1 1 A 35 35 ALA CA C 35 54.562 53.878 0.684 1
1 429 . 19 1 1 A 35 35 ALA CB C 35 18.880 19.590 -0.710 1
1 430 . 19 1 1 A 35 35 ALA N N 35 129.552 128.156 1.396 1
1 431 . 19 1 1 A 36 36 ASN H H 36 8.169 8.012 0.157 1
1 432 . 19 1 1 A 36 36 ASN HA H 36 5.108 5.104 0.004 1
1 437 . 19 1 1 A 36 36 ASN CA C 36 50.333 50.709 -0.376 1
1 438 . 19 1 1 A 36 36 ASN CB C 36 35.521 38.410 -2.889 1
1 439 . 19 1 1 A 36 36 ASN N N 36 112.302 114.656 -2.354 1
1 441 . 19 1 1 A 37 37 PRO HA H 37 3.891 4.239 -0.348 1
1 448 . 19 1 1 A 37 37 PRO C C 37 177.715 177.390 0.325 1
1 449 . 19 1 1 A 37 37 PRO CA C 37 64.104 64.445 -0.341 1
1 450 . 19 1 1 A 37 37 PRO CB C 37 32.380 31.961 0.419 1
1 453 . 19 1 1 A 38 38 ASP H H 38 8.843 8.302 0.541 1
1 454 . 19 1 1 A 38 38 ASP HA H 38 4.350 4.357 -0.007 1
1 457 . 19 1 1 A 38 38 ASP C C 38 176.942 177.248 -0.306 1
1 458 . 19 1 1 A 38 38 ASP CA C 38 56.035 56.417 -0.382 1
1 459 . 19 1 1 A 38 38 ASP CB C 38 39.249 40.754 -1.505 1
1 460 . 19 1 1 A 38 38 ASP N N 38 118.913 117.094 1.819 1
1 461 . 19 1 1 A 39 39 LEU H H 39 7.548 7.461 0.087 1
1 462 . 19 1 1 A 39 39 LEU HA H 39 4.268 4.152 0.116 1
1 472 . 19 1 1 A 39 39 LEU C C 39 176.727 176.636 0.091 1
1 473 . 19 1 1 A 39 39 LEU CA C 39 54.091 54.102 -0.011 1
1 474 . 19 1 1 A 39 39 LEU CB C 39 41.404 41.273 0.131 1
1 478 . 19 1 1 A 39 39 LEU N N 39 117.047 116.533 0.514 1
1 479 . 19 1 1 A 40 40 ILE H H 40 7.047 6.867 0.180 1
1 480 . 19 1 1 A 40 40 ILE HA H 40 2.710 3.663 -0.953 1
1 490 . 19 1 1 A 40 40 ILE C C 40 174.794 175.153 -0.359 1
1 491 . 19 1 1 A 40 40 ILE CA C 40 64.352 60.931 3.421 1
1 492 . 19 1 1 A 40 40 ILE CB C 40 37.301 37.027 0.274 1
1 496 . 19 1 1 A 40 40 ILE N N 40 118.412 121.388 -2.976 1
1 497 . 19 1 1 A 41 41 LYS H H 41 6.395 8.469 -2.074 1
1 498 . 19 1 1 A 41 41 LYS HA H 41 4.246 4.831 -0.585 1
1 507 . 19 1 1 A 41 41 LYS C C 41 174.422 175.146 -0.724 1
1 508 . 19 1 1 A 41 41 LYS CA C 41 54.521 54.005 0.516 1
1 509 . 19 1 1 A 41 41 LYS CB C 41 35.426 35.162 0.264 1
1 513 . 19 1 1 A 41 41 LYS N N 41 122.843 127.109 -4.266 1
1 514 . 19 1 1 A 42 42 LYS H H 42 8.788 8.609 0.179 1
1 515 . 19 1 1 A 42 42 LYS HA H 42 3.603 4.042 -0.439 1
1 524 . 19 1 1 A 42 42 LYS C C 42 176.169 176.897 -0.728 1
1 525 . 19 1 1 A 42 42 LYS CA C 42 59.038 56.990 2.048 1
1 526 . 19 1 1 A 42 42 LYS CB C 42 31.981 33.165 -1.184 1
1 530 . 19 1 1 A 42 42 LYS N N 42 122.219 122.678 -0.459 1
1 531 . 19 1 1 A 43 43 ASP H H 43 9.183 9.177 0.006 1
1 532 . 19 1 1 A 43 43 ASP HA H 43 4.191 4.266 -0.075 1
1 535 . 19 1 1 A 43 43 ASP C C 43 174.866 174.945 -0.079 1
1 536 . 19 1 1 A 43 43 ASP CA C 43 57.064 55.567 1.497 1
1 537 . 19 1 1 A 43 43 ASP CB C 43 38.724 40.433 -1.709 1
1 538 . 19 1 1 A 43 43 ASP N N 43 119.807 123.902 -4.095 1
1 539 . 19 1 1 A 44 44 ALA H H 44 7.669 7.748 -0.079 1
1 540 . 19 1 1 A 44 44 ALA HA H 44 4.273 4.472 -0.199 1
1 544 . 19 1 1 A 44 44 ALA C C 44 176.197 177.369 -1.172 1
1 545 . 19 1 1 A 44 44 ALA CA C 44 52.503 51.694 0.809 1
1 546 . 19 1 1 A 44 44 ALA CB C 44 19.511 20.571 -1.060 1
1 547 . 19 1 1 A 44 44 ALA N N 44 121.785 122.338 -0.553 1
1 548 . 19 1 1 A 45 45 ALA H H 45 8.522 8.408 0.114 1
1 549 . 19 1 1 A 45 45 ALA HA H 45 4.820 4.962 -0.142 1
1 553 . 19 1 1 A 45 45 ALA C C 45 177.128 177.321 -0.193 1
1 554 . 19 1 1 A 45 45 ALA CA C 45 51.512 51.260 0.252 1
1 555 . 19 1 1 A 45 45 ALA CB C 45 19.306 20.455 -1.149 1
1 556 . 19 1 1 A 45 45 ALA N N 45 125.014 123.327 1.687 1
1 557 . 19 1 1 A 46 46 VAL H H 46 8.358 9.265 -0.907 1
1 558 . 19 1 1 A 46 46 VAL HA H 46 5.659 5.038 0.621 1
1 566 . 19 1 1 A 46 46 VAL C C 46 177.199 174.383 2.816 1
1 567 . 19 1 1 A 46 46 VAL CA C 46 57.919 59.304 -1.385 1
1 568 . 19 1 1 A 46 46 VAL CB C 46 36.362 35.950 0.412 1
1 571 . 19 1 1 A 46 46 VAL N N 46 109.774 115.942 -6.168 1
1 572 . 19 1 1 A 47 47 THR H H 47 8.902 8.710 0.192 1
1 573 . 19 1 1 A 47 47 THR HA H 47 5.462 4.961 0.501 1
1 578 . 19 1 1 A 47 47 THR C C 47 173.405 173.291 0.114 1
1 579 . 19 1 1 A 47 47 THR CA C 47 60.139 60.265 -0.126 1
1 580 . 19 1 1 A 47 47 THR CB C 47 71.233 71.784 -0.551 1
1 582 . 19 1 1 A 47 47 THR N N 47 112.758 115.979 -3.221 1
1 583 . 19 1 1 A 48 48 PHE H H 48 8.423 8.169 0.254 1
1 584 . 19 1 1 A 48 48 PHE HA H 48 5.099 5.045 0.054 1
1 591 . 19 1 1 A 48 48 PHE C C 48 172.231 172.135 0.096 1
1 592 . 19 1 1 A 48 48 PHE CA C 48 56.390 56.188 0.202 1
1 593 . 19 1 1 A 48 48 PHE CB C 48 41.169 40.747 0.422 1
1 596 . 19 1 1 A 48 48 PHE N N 48 115.866 120.278 -4.412 1
1 597 . 19 1 1 A 49 49 GLU H H 49 8.622 8.616 0.006 1
1 598 . 19 1 1 A 49 49 GLU HA H 49 4.907 4.856 0.051 1
1 603 . 19 1 1 A 49 49 GLU CA C 49 51.497 52.904 -1.407 1
1 604 . 19 1 1 A 49 49 GLU CB C 49 28.890 30.847 -1.957 1
1 606 . 19 1 1 A 49 49 GLU N N 49 117.484 119.839 -2.355 1
1 607 . 19 1 1 A 50 50 PRO HA H 50 4.829 5.074 -0.245 1
1 614 . 19 1 1 A 50 50 PRO C C 50 175.925 175.287 0.638 1
1 615 . 19 1 1 A 50 50 PRO CA C 50 62.593 62.281 0.312 1
1 616 . 19 1 1 A 50 50 PRO CB C 50 32.917 32.373 0.544 1
1 619 . 19 1 1 A 51 51 THR H H 51 7.621 8.736 -1.115 1
1 620 . 19 1 1 A 51 51 THR HA H 51 4.742 5.072 -0.330 1
1 625 . 19 1 1 A 51 51 THR C C 51 172.074 172.364 -0.290 1
1 626 . 19 1 1 A 51 51 THR CA C 51 60.558 60.036 0.522 1
1 627 . 19 1 1 A 51 51 THR CB C 51 68.841 71.821 -2.980 1
1 629 . 19 1 1 A 51 51 THR N N 51 112.909 116.714 -3.805 1
1 630 . 19 1 1 A 52 52 THR H H 52 8.367 8.612 -0.245 1
1 631 . 19 1 1 A 52 52 THR HA H 52 4.975 5.062 -0.087 1
1 636 . 19 1 1 A 52 52 THR C C 52 173.047 173.576 -0.529 1
1 637 . 19 1 1 A 52 52 THR CA C 52 60.794 61.172 -0.378 1
1 638 . 19 1 1 A 52 52 THR CB C 52 71.210 71.145 0.065 1
1 640 . 19 1 1 A 52 52 THR N N 52 117.260 119.639 -2.379 1
1 641 . 19 1 1 A 53 53 ASN H H 53 8.827 8.235 0.592 1
1 642 . 19 1 1 A 53 53 ASN HA H 53 4.756 5.180 -0.424 1
1 647 . 19 1 1 A 53 53 ASN CA C 53 53.430 52.053 1.377 1
1 648 . 19 1 1 A 53 53 ASN CB C 53 38.660 41.619 -2.959 1
1 649 . 19 1 1 A 53 53 ASN N N 53 122.737 121.642 1.095 1
1 651 . 19 1 1 A 54 54 ASN HA H 54 4.420 4.332 0.088 1
1 656 . 19 1 1 A 54 54 ASN C C 54 176.154 176.983 -0.829 1
1 657 . 19 1 1 A 54 54 ASN CA C 54 55.580 56.668 -1.088 1
1 658 . 19 1 1 A 54 54 ASN CB C 54 36.917 38.083 -1.166 1
1 660 . 19 1 1 A 55 55 LYS H H 55 8.190 7.716 0.474 1
1 661 . 19 1 1 A 55 55 LYS HA H 55 4.225 4.205 0.020 1
1 670 . 19 1 1 A 55 55 LYS C C 55 176.154 176.536 -0.382 1
1 671 . 19 1 1 A 55 55 LYS CA C 55 55.113 56.537 -1.424 1
1 672 . 19 1 1 A 55 55 LYS CB C 55 31.703 32.815 -1.112 1
1 676 . 19 1 1 A 55 55 LYS N N 55 117.935 115.885 2.050 1
1 677 . 19 1 1 A 56 56 GLY H H 56 7.966 7.232 0.734 1
1 678 . 19 1 1 A 56 56 GLY HA2 H 56 4.496 4.093 0.403 1
1 679 . 19 1 1 A 56 56 GLY HA3 H 56 3.794 4.103 -0.309 1
1 680 . 19 1 1 A 56 56 GLY C C 56 173.262 171.818 1.444 1
1 681 . 19 1 1 A 56 56 GLY CA C 56 44.177 45.276 -1.099 1
1 682 . 19 1 1 A 56 56 GLY N N 56 108.898 106.111 2.787 1
1 683 . 19 1 1 A 57 57 LEU H H 57 8.716 8.522 0.194 1
1 684 . 19 1 1 A 57 57 LEU HA H 57 4.442 4.466 -0.024 1
1 694 . 19 1 1 A 57 57 LEU C C 57 178.488 176.140 2.348 1
1 695 . 19 1 1 A 57 57 LEU CA C 57 56.424 55.450 0.974 1
1 696 . 19 1 1 A 57 57 LEU CB C 57 42.582 42.354 0.228 1
1 700 . 19 1 1 A 57 57 LEU N N 57 122.286 123.545 -1.259 1
1 701 . 19 1 1 A 58 58 SER H H 58 9.033 8.604 0.429 1
1 702 . 19 1 1 A 58 58 SER HA H 58 5.696 4.972 0.724 1
1 705 . 19 1 1 A 58 58 SER C C 58 173.820 173.054 0.766 1
1 706 . 19 1 1 A 58 58 SER CA C 58 56.715 56.230 0.485 1
1 707 . 19 1 1 A 58 58 SER CB C 58 65.779 67.004 -1.225 1
1 708 . 19 1 1 A 58 58 SER N N 58 117.913 116.278 1.635 1
1 709 . 19 1 1 A 59 59 ALA H H 59 8.775 8.288 0.487 1
1 710 . 19 1 1 A 59 59 ALA HA H 59 5.409 5.237 0.172 1
1 714 . 19 1 1 A 59 59 ALA C C 59 174.966 175.593 -0.627 1
1 715 . 19 1 1 A 59 59 ALA CA C 59 50.783 50.636 0.147 1
1 716 . 19 1 1 A 59 59 ALA CB C 59 23.985 23.363 0.622 1
1 717 . 19 1 1 A 59 59 ALA N N 59 125.556 121.489 4.067 1
1 718 . 19 1 1 A 60 60 TYR H H 60 9.347 8.545 0.802 1
1 719 . 19 1 1 A 60 60 TYR HA H 60 5.030 4.965 0.065 1
1 726 . 19 1 1 A 60 60 TYR C C 60 171.673 173.910 -2.237 1
1 727 . 19 1 1 A 60 60 TYR CA C 60 55.484 56.195 -0.711 1
1 728 . 19 1 1 A 60 60 TYR CB C 60 39.502 41.013 -1.511 1
1 731 . 19 1 1 A 60 60 TYR N N 60 118.946 116.587 2.359 1
1 732 . 19 1 1 A 61 61 ALA H H 61 9.176 8.690 0.486 1
1 733 . 19 1 1 A 61 61 ALA HA H 61 4.116 3.952 0.164 1
1 737 . 19 1 1 A 61 61 ALA C C 61 175.825 176.736 -0.911 1
1 738 . 19 1 1 A 61 61 ALA CA C 61 52.809 52.974 -0.165 1
1 739 . 19 1 1 A 61 61 ALA CB C 61 16.597 17.324 -0.727 1
1 740 . 19 1 1 A 61 61 ALA N N 61 124.113 120.627 3.486 1
1 741 . 19 1 1 A 62 62 VAL H H 62 7.968 8.243 -0.275 1
1 742 . 19 1 1 A 62 62 VAL HA H 62 4.300 4.552 -0.252 1
1 750 . 19 1 1 A 62 62 VAL C C 62 175.395 175.681 -0.286 1
1 751 . 19 1 1 A 62 62 VAL CA C 62 62.252 62.900 -0.648 1
1 752 . 19 1 1 A 62 62 VAL CB C 62 31.435 31.955 -0.520 1
1 755 . 19 1 1 A 62 62 VAL N N 62 116.561 118.479 -1.918 1
1 756 . 19 1 1 A 63 63 LYS H H 63 9.208 9.178 0.030 1
1 757 . 19 1 1 A 63 63 LYS HA H 63 4.633 5.341 -0.708 1
1 766 . 19 1 1 A 63 63 LYS C C 63 175.238 175.212 0.026 1
1 767 . 19 1 1 A 63 63 LYS CA C 63 54.729 54.718 0.011 1
1 768 . 19 1 1 A 63 63 LYS CB C 63 34.859 35.181 -0.322 1
1 772 . 19 1 1 A 63 63 LYS N N 63 128.892 124.713 4.179 1
1 773 . 19 1 1 A 64 64 VAL H H 64 9.588 9.147 0.441 1
1 774 . 19 1 1 A 64 64 VAL HA H 64 4.345 4.237 0.108 1
1 782 . 19 1 1 A 64 64 VAL C C 64 176.856 175.375 1.481 1
1 783 . 19 1 1 A 64 64 VAL CA C 64 62.563 62.504 0.059 1
1 784 . 19 1 1 A 64 64 VAL CB C 64 30.916 32.199 -1.283 1
1 787 . 19 1 1 A 64 64 VAL N N 64 126.595 124.495 2.100 1
1 788 . 19 1 1 A 65 65 VAL H H 65 8.597 8.988 -0.391 1
1 789 . 19 1 1 A 65 65 VAL HA H 65 4.370 4.556 -0.186 1
1 797 . 19 1 1 A 65 65 VAL CA C 65 62.480 59.323 3.157 1
1 798 . 19 1 1 A 65 65 VAL CB C 65 32.436 32.167 0.269 1
1 801 . 19 1 1 A 65 65 VAL N N 65 127.945 127.193 0.752 1
1 802 . 19 1 1 A 66 66 PRO HA H 66 4.385 4.776 -0.391 1
1 809 . 19 1 1 A 66 66 PRO C C 66 176.627 177.262 -0.635 1
1 810 . 19 1 1 A 66 66 PRO CA C 66 62.511 61.869 0.642 1
1 811 . 19 1 1 A 66 66 PRO CB C 66 31.875 33.154 -1.279 1
1 814 . 19 1 1 A 67 67 LEU H H 67 8.236 8.495 -0.259 1
1 815 . 19 1 1 A 67 67 LEU HA H 67 4.181 4.036 0.145 1
1 825 . 19 1 1 A 67 67 LEU C C 67 177.357 176.524 0.833 1
1 826 . 19 1 1 A 67 67 LEU CA C 67 55.352 57.730 -2.378 1
1 827 . 19 1 1 A 67 67 LEU CB C 67 42.355 41.609 0.746 1
1 831 . 19 1 1 A 67 67 LEU N N 67 122.691 119.791 2.900 1
1 832 . 19 1 1 A 68 68 GLU H H 68 8.432 7.817 0.615 1
1 833 . 19 1 1 A 68 68 GLU HA H 68 4.184 4.784 -0.600 1
1 838 . 19 1 1 A 68 68 GLU C C 68 176.054 174.251 1.803 1
1 839 . 19 1 1 A 68 68 GLU CA C 68 56.250 56.592 -0.342 1
1 840 . 19 1 1 A 68 68 GLU CB C 68 30.077 32.045 -1.968 1
1 842 . 19 1 1 A 68 68 GLU N N 68 121.298 118.524 2.774 1
1 843 . 19 1 1 A 69 69 HIS H H 69 8.303 8.964 -0.661 1
1 844 . 19 1 1 A 69 69 HIS HA H 69 4.517 4.900 -0.383 1
1 849 . 19 1 1 A 69 69 HIS C C 69 173.863 174.160 -0.297 1
1 850 . 19 1 1 A 69 69 HIS CA C 69 55.663 54.851 0.812 1
1 851 . 19 1 1 A 69 69 HIS CB C 69 29.904 33.036 -3.132 1
1 1 . 20 1 1 A 2 2 ALA HA H 2 3.908 4.221 -0.313 1
1 5 . 20 1 1 A 2 2 ALA C C 2 174.665 177.794 -3.129 1
1 6 . 20 1 1 A 2 2 ALA CA C 2 51.696 52.969 -1.273 1
1 7 . 20 1 1 A 2 2 ALA CB C 2 19.380 19.038 0.342 1
1 8 . 20 1 1 A 3 3 MET H H 3 8.516 8.826 -0.310 1
1 9 . 20 1 1 A 3 3 MET HA H 3 4.349 5.175 -0.826 1
1 17 . 20 1 1 A 3 3 MET C C 3 173.119 174.231 -1.112 1
1 18 . 20 1 1 A 3 3 MET CA C 3 54.457 53.670 0.787 1
1 19 . 20 1 1 A 3 3 MET CB C 3 37.020 36.769 0.251 1
1 22 . 20 1 1 A 3 3 MET N N 3 118.958 120.951 -1.993 1
1 23 . 20 1 1 A 4 4 ASN H H 4 8.627 8.589 0.038 1
1 24 . 20 1 1 A 4 4 ASN HA H 4 5.470 5.385 0.085 1
1 29 . 20 1 1 A 4 4 ASN C C 4 175.782 174.423 1.359 1
1 30 . 20 1 1 A 4 4 ASN CA C 4 52.043 51.347 0.696 1
1 31 . 20 1 1 A 4 4 ASN CB C 4 41.102 41.785 -0.683 1
1 32 . 20 1 1 A 4 4 ASN N N 4 116.608 115.267 1.341 1
1 34 . 20 1 1 A 5 5 GLY H H 5 8.444 8.619 -0.175 1
1 35 . 20 1 1 A 5 5 GLY HA2 H 5 4.652 4.381 0.271 1
1 36 . 20 1 1 A 5 5 GLY HA3 H 5 3.710 4.577 -0.867 1
1 37 . 20 1 1 A 5 5 GLY C C 5 171.487 171.861 -0.374 1
1 38 . 20 1 1 A 5 5 GLY CA C 5 46.682 45.794 0.888 1
1 39 . 20 1 1 A 5 5 GLY N N 5 104.747 107.362 -2.615 1
1 40 . 20 1 1 A 6 6 THR H H 6 8.303 9.047 -0.744 1
1 41 . 20 1 1 A 6 6 THR HA H 6 5.193 5.255 -0.062 1
1 46 . 20 1 1 A 6 6 THR C C 6 173.634 173.713 -0.079 1
1 47 . 20 1 1 A 6 6 THR CA C 6 60.367 61.363 -0.996 1
1 48 . 20 1 1 A 6 6 THR CB C 6 72.071 71.408 0.663 1
1 50 . 20 1 1 A 6 6 THR N N 6 114.893 114.699 0.194 1
1 51 . 20 1 1 A 7 7 ILE H H 7 8.887 9.096 -0.209 1
1 52 . 20 1 1 A 7 7 ILE HA H 7 4.189 4.031 0.158 1
1 62 . 20 1 1 A 7 7 ILE C C 7 175.782 176.886 -1.104 1
1 63 . 20 1 1 A 7 7 ILE CA C 7 62.394 61.705 0.689 1
1 64 . 20 1 1 A 7 7 ILE CB C 7 37.461 36.670 0.791 1
1 68 . 20 1 1 A 7 7 ILE N N 7 125.014 126.992 -1.978 1
1 69 . 20 1 1 A 8 8 THR H H 8 8.968 8.699 0.269 1
1 70 . 20 1 1 A 8 8 THR HA H 8 4.583 4.567 0.016 1
1 75 . 20 1 1 A 8 8 THR C C 8 175.352 174.847 0.505 1
1 76 . 20 1 1 A 8 8 THR CA C 8 62.547 62.364 0.183 1
1 77 . 20 1 1 A 8 8 THR CB C 8 69.324 69.645 -0.321 1
1 79 . 20 1 1 A 8 8 THR N N 8 123.264 119.522 3.742 1
1 80 . 20 1 1 A 9 9 THR H H 9 7.744 7.506 0.238 1
1 81 . 20 1 1 A 9 9 THR HA H 9 4.408 4.955 -0.547 1
1 86 . 20 1 1 A 9 9 THR C C 9 171.759 172.603 -0.844 1
1 87 . 20 1 1 A 9 9 THR CA C 9 61.370 61.466 -0.096 1
1 88 . 20 1 1 A 9 9 THR CB C 9 72.472 70.991 1.481 1
1 90 . 20 1 1 A 9 9 THR N N 9 116.608 115.723 0.885 1
1 91 . 20 1 1 A 10 10 TRP H H 10 8.620 8.566 0.054 1
1 92 . 20 1 1 A 10 10 TRP HA H 10 4.844 5.264 -0.420 1
1 101 . 20 1 1 A 10 10 TRP C C 10 172.833 174.161 -1.328 1
1 102 . 20 1 1 A 10 10 TRP CA C 10 55.471 55.283 0.188 1
1 103 . 20 1 1 A 10 10 TRP CB C 10 32.843 32.888 -0.045 1
1 109 . 20 1 1 A 10 10 TRP N N 10 126.095 128.966 -2.871 1
1 111 . 20 1 1 A 11 11 PHE H H 11 7.892 8.148 -0.256 1
1 112 . 20 1 1 A 11 11 PHE HA H 11 4.508 4.628 -0.120 1
1 120 . 20 1 1 A 11 11 PHE C C 11 174.493 175.318 -0.825 1
1 121 . 20 1 1 A 11 11 PHE CA C 11 54.001 55.535 -1.534 1
1 122 . 20 1 1 A 11 11 PHE CB C 11 36.906 39.252 -2.346 1
1 126 . 20 1 1 A 11 11 PHE N N 11 127.953 125.413 2.540 1
1 127 . 20 1 1 A 12 12 LYS H H 12 7.844 8.342 -0.498 1
1 128 . 20 1 1 A 12 12 LYS HA H 12 2.844 3.578 -0.734 1
1 137 . 20 1 1 A 12 12 LYS C C 12 177.701 177.779 -0.078 1
1 138 . 20 1 1 A 12 12 LYS CA C 12 59.164 59.082 0.082 1
1 139 . 20 1 1 A 12 12 LYS CB C 12 32.427 32.203 0.224 1
1 143 . 20 1 1 A 12 12 LYS N N 12 125.042 125.659 -0.617 1
1 144 . 20 1 1 A 13 13 ASP H H 13 8.638 7.994 0.644 1
1 145 . 20 1 1 A 13 13 ASP HA H 13 4.281 4.342 -0.061 1
1 148 . 20 1 1 A 13 13 ASP C C 13 176.827 177.608 -0.781 1
1 149 . 20 1 1 A 13 13 ASP CA C 13 55.401 57.281 -1.880 1
1 150 . 20 1 1 A 13 13 ASP CB C 13 39.349 41.059 -1.710 1
1 151 . 20 1 1 A 13 13 ASP N N 13 114.668 119.661 -4.993 1
1 152 . 20 1 1 A 14 14 LYS H H 14 6.965 7.484 -0.519 1
1 153 . 20 1 1 A 14 14 LYS HA H 14 4.425 4.193 0.232 1
1 162 . 20 1 1 A 14 14 LYS C C 14 176.913 176.970 -0.057 1
1 163 . 20 1 1 A 14 14 LYS CA C 14 55.288 55.957 -0.669 1
1 164 . 20 1 1 A 14 14 LYS CB C 14 34.562 32.874 1.688 1
1 168 . 20 1 1 A 14 14 LYS N N 14 116.507 115.844 0.663 1
1 169 . 20 1 1 A 15 15 GLY H H 15 7.619 8.940 -1.321 1
1 170 . 20 1 1 A 15 15 GLY HA2 H 15 3.875 3.705 0.170 1
1 171 . 20 1 1 A 15 15 GLY HA3 H 15 3.499 3.840 -0.341 1
1 172 . 20 1 1 A 15 15 GLY C C 15 171.358 173.374 -2.016 1
1 173 . 20 1 1 A 15 15 GLY CA C 15 46.020 45.310 0.710 1
1 174 . 20 1 1 A 15 15 GLY N N 15 107.093 107.455 -0.362 1
1 175 . 20 1 1 A 16 16 PHE H H 16 6.663 6.302 0.361 1
1 176 . 20 1 1 A 16 16 PHE HA H 16 4.866 5.022 -0.156 1
1 183 . 20 1 1 A 16 16 PHE C C 16 171.472 173.090 -1.618 1
1 184 . 20 1 1 A 16 16 PHE CA C 16 54.765 54.906 -0.141 1
1 185 . 20 1 1 A 16 16 PHE CB C 16 41.805 41.893 -0.088 1
1 188 . 20 1 1 A 16 16 PHE N N 16 112.369 113.879 -1.510 1
1 189 . 20 1 1 A 17 17 GLY H H 17 7.436 8.243 -0.807 1
1 190 . 20 1 1 A 17 17 GLY HA2 H 17 3.951 4.089 -0.138 1
1 191 . 20 1 1 A 17 17 GLY HA3 H 17 3.399 4.404 -1.005 1
1 192 . 20 1 1 A 17 17 GLY C C 17 169.926 171.280 -1.354 1
1 193 . 20 1 1 A 17 17 GLY CA C 17 45.073 45.853 -0.780 1
1 194 . 20 1 1 A 17 17 GLY N N 17 105.719 106.168 -0.449 1
1 195 . 20 1 1 A 18 18 PHE H H 18 8.505 9.363 -0.858 1
1 196 . 20 1 1 A 18 18 PHE HA H 18 5.728 5.641 0.087 1
1 204 . 20 1 1 A 18 18 PHE C C 18 175.023 174.841 0.182 1
1 205 . 20 1 1 A 18 18 PHE CA C 18 56.493 56.200 0.293 1
1 206 . 20 1 1 A 18 18 PHE CB C 18 43.783 42.582 1.201 1
1 210 . 20 1 1 A 18 18 PHE N N 18 113.767 118.895 -5.128 1
1 211 . 20 1 1 A 19 19 ILE H H 19 9.615 8.882 0.733 1
1 212 . 20 1 1 A 19 19 ILE HA H 19 4.679 4.710 -0.031 1
1 222 . 20 1 1 A 19 19 ILE C C 19 174.894 174.867 0.027 1
1 223 . 20 1 1 A 19 19 ILE CA C 19 58.585 60.138 -1.553 1
1 224 . 20 1 1 A 19 19 ILE CB C 19 43.854 40.565 3.289 1
1 228 . 20 1 1 A 19 19 ILE N N 19 122.746 122.874 -0.128 1
1 229 . 20 1 1 A 20 20 LYS H H 20 8.971 8.740 0.231 1
1 230 . 20 1 1 A 20 20 LYS HA H 20 5.241 4.922 0.319 1
1 239 . 20 1 1 A 20 20 LYS C C 20 177.413 176.428 0.985 1
1 240 . 20 1 1 A 20 20 LYS CA C 20 54.622 55.859 -1.237 1
1 241 . 20 1 1 A 20 20 LYS CB C 20 33.070 33.494 -0.424 1
1 245 . 20 1 1 A 20 20 LYS N N 20 127.450 127.197 0.253 1
1 246 . 20 1 1 A 21 21 ASP H H 21 9.363 8.319 1.044 1
1 247 . 20 1 1 A 21 21 ASP HA H 21 5.241 5.036 0.205 1
1 250 . 20 1 1 A 21 21 ASP C C 21 178.431 177.264 1.167 1
1 251 . 20 1 1 A 21 21 ASP CA C 21 52.981 53.056 -0.075 1
1 252 . 20 1 1 A 21 21 ASP CB C 21 44.583 41.605 2.978 1
1 253 . 20 1 1 A 21 21 ASP N N 21 129.797 124.608 5.189 1
1 254 . 20 1 1 A 22 22 GLU H H 22 8.127 8.669 -0.542 1
1 255 . 20 1 1 A 22 22 GLU HA H 22 4.264 4.211 0.053 1
1 260 . 20 1 1 A 22 22 GLU C C 22 176.226 177.725 -1.499 1
1 261 . 20 1 1 A 22 22 GLU CA C 22 57.515 58.158 -0.643 1
1 262 . 20 1 1 A 22 22 GLU CB C 22 29.830 29.707 0.123 1
1 264 . 20 1 1 A 22 22 GLU N N 22 115.545 119.996 -4.451 1
1 265 . 20 1 1 A 23 23 ASN H H 23 8.606 7.775 0.831 1
1 266 . 20 1 1 A 23 23 ASN HA H 23 4.963 4.810 0.153 1
1 271 . 20 1 1 A 23 23 ASN C C 23 175.582 175.429 0.153 1
1 272 . 20 1 1 A 23 23 ASN CA C 23 52.968 53.654 -0.686 1
1 273 . 20 1 1 A 23 23 ASN CB C 23 39.172 39.288 -0.116 1
1 274 . 20 1 1 A 23 23 ASN N N 23 118.707 117.891 0.816 1
1 276 . 20 1 1 A 24 24 GLY H H 24 8.451 8.511 -0.060 1
1 277 . 20 1 1 A 24 24 GLY HA2 H 24 4.323 4.111 0.212 1
1 278 . 20 1 1 A 24 24 GLY HA3 H 24 3.484 4.120 -0.636 1
1 279 . 20 1 1 A 24 24 GLY C C 24 174.121 173.908 0.213 1
1 280 . 20 1 1 A 24 24 GLY CA C 24 44.816 45.089 -0.273 1
1 281 . 20 1 1 A 24 24 GLY N N 24 108.999 107.278 1.721 1
1 282 . 20 1 1 A 25 25 ASP H H 25 8.326 7.996 0.330 1
1 283 . 20 1 1 A 25 25 ASP HA H 25 4.792 5.062 -0.270 1
1 286 . 20 1 1 A 25 25 ASP C C 25 173.047 174.462 -1.415 1
1 287 . 20 1 1 A 25 25 ASP CA C 25 54.677 52.483 2.194 1
1 288 . 20 1 1 A 25 25 ASP CB C 25 41.577 44.145 -2.568 1
1 289 . 20 1 1 A 25 25 ASP N N 25 121.814 120.606 1.208 1
1 290 . 20 1 1 A 26 26 ASN H H 26 8.503 9.029 -0.526 1
1 291 . 20 1 1 A 26 26 ASN HA H 26 5.607 5.489 0.118 1
1 296 . 20 1 1 A 26 26 ASN C C 26 175.496 174.083 1.413 1
1 297 . 20 1 1 A 26 26 ASN CA C 26 52.290 51.858 0.432 1
1 298 . 20 1 1 A 26 26 ASN CB C 26 40.017 41.146 -1.129 1
1 299 . 20 1 1 A 26 26 ASN N N 26 119.224 120.862 -1.638 1
1 301 . 20 1 1 A 27 27 ARG H H 27 9.884 9.032 0.852 1
1 302 . 20 1 1 A 27 27 ARG HA H 27 4.720 5.069 -0.349 1
1 309 . 20 1 1 A 27 27 ARG C C 27 174.665 175.054 -0.389 1
1 310 . 20 1 1 A 27 27 ARG CA C 27 54.314 54.617 -0.303 1
1 311 . 20 1 1 A 27 27 ARG CB C 27 33.562 33.113 0.449 1
1 314 . 20 1 1 A 27 27 ARG N N 27 122.242 126.155 -3.913 1
1 315 . 20 1 1 A 28 28 TYR H H 28 8.314 8.807 -0.493 1
1 316 . 20 1 1 A 28 28 TYR HA H 28 4.365 4.958 -0.593 1
1 323 . 20 1 1 A 28 28 TYR C C 28 174.765 174.395 0.370 1
1 324 . 20 1 1 A 28 28 TYR CA C 28 58.102 58.168 -0.066 1
1 325 . 20 1 1 A 28 28 TYR CB C 28 39.606 39.230 0.376 1
1 328 . 20 1 1 A 28 28 TYR N N 28 126.908 124.261 2.647 1
1 329 . 20 1 1 A 29 29 PHE H H 29 7.873 9.299 -1.426 1
1 330 . 20 1 1 A 29 29 PHE HA H 29 5.159 5.161 -0.002 1
1 338 . 20 1 1 A 29 29 PHE C C 29 169.840 174.758 -4.918 1
1 339 . 20 1 1 A 29 29 PHE CA C 29 56.025 56.660 -0.635 1
1 340 . 20 1 1 A 29 29 PHE CB C 29 42.454 42.201 0.253 1
1 344 . 20 1 1 A 29 29 PHE N N 29 124.137 126.304 -2.167 1
1 345 . 20 1 1 A 30 30 HIS H H 30 8.255 8.681 -0.426 1
1 346 . 20 1 1 A 30 30 HIS HA H 30 4.819 5.156 -0.337 1
1 351 . 20 1 1 A 30 30 HIS C C 30 176.598 175.400 1.198 1
1 352 . 20 1 1 A 30 30 HIS CA C 30 55.040 55.977 -0.937 1
1 353 . 20 1 1 A 30 30 HIS CB C 30 35.066 33.188 1.878 1
1 356 . 20 1 1 A 30 30 HIS N N 30 119.922 121.682 -1.760 1
1 357 . 20 1 1 A 31 31 VAL H H 31 8.390 9.179 -0.789 1
1 358 . 20 1 1 A 31 31 VAL HA H 31 3.911 4.007 -0.096 1
1 366 . 20 1 1 A 31 31 VAL C C 31 176.713 176.941 -0.228 1
1 367 . 20 1 1 A 31 31 VAL CA C 31 65.423 65.406 0.017 1
1 368 . 20 1 1 A 31 31 VAL CB C 31 32.354 31.855 0.499 1
1 371 . 20 1 1 A 31 31 VAL N N 31 126.977 124.567 2.410 1
1 372 . 20 1 1 A 32 32 ILE H H 32 10.207 7.579 2.628 1
1 373 . 20 1 1 A 32 32 ILE HA H 32 4.397 3.890 0.507 1
1 383 . 20 1 1 A 32 32 ILE C C 32 177.414 177.521 -0.107 1
1 384 . 20 1 1 A 32 32 ILE CA C 32 63.601 62.873 0.728 1
1 385 . 20 1 1 A 32 32 ILE CB C 32 38.023 37.601 0.422 1
1 389 . 20 1 1 A 32 32 ILE N N 32 123.360 120.329 3.031 1
1 390 . 20 1 1 A 33 33 LYS H H 33 8.435 7.797 0.638 1
1 391 . 20 1 1 A 33 33 LYS HA H 33 4.734 4.390 0.344 1
1 400 . 20 1 1 A 33 33 LYS C C 33 175.037 176.534 -1.497 1
1 401 . 20 1 1 A 33 33 LYS CA C 33 54.046 57.086 -3.040 1
1 402 . 20 1 1 A 33 33 LYS CB C 33 31.743 32.912 -1.169 1
1 406 . 20 1 1 A 33 33 LYS N N 33 118.502 120.020 -1.518 1
1 407 . 20 1 1 A 34 34 VAL H H 34 7.750 7.575 0.175 1
1 408 . 20 1 1 A 34 34 VAL HA H 34 4.672 4.226 0.446 1
1 416 . 20 1 1 A 34 34 VAL C C 34 175.911 175.513 0.398 1
1 417 . 20 1 1 A 34 34 VAL CA C 34 60.255 62.718 -2.463 1
1 418 . 20 1 1 A 34 34 VAL CB C 34 32.064 32.452 -0.388 1
1 421 . 20 1 1 A 34 34 VAL N N 34 120.487 120.555 -0.068 1
1 422 . 20 1 1 A 35 35 ALA H H 35 9.109 8.938 0.171 1
1 423 . 20 1 1 A 35 35 ALA HA H 35 4.143 4.353 -0.210 1
1 427 . 20 1 1 A 35 35 ALA C C 35 177.887 177.770 0.117 1
1 428 . 20 1 1 A 35 35 ALA CA C 35 54.562 54.029 0.533 1
1 429 . 20 1 1 A 35 35 ALA CB C 35 18.880 19.781 -0.901 1
1 430 . 20 1 1 A 35 35 ALA N N 35 129.552 128.202 1.350 1
1 431 . 20 1 1 A 36 36 ASN H H 36 8.169 7.998 0.171 1
1 432 . 20 1 1 A 36 36 ASN HA H 36 5.108 5.080 0.028 1
1 437 . 20 1 1 A 36 36 ASN CA C 36 50.333 50.797 -0.464 1
1 438 . 20 1 1 A 36 36 ASN CB C 36 35.521 38.410 -2.889 1
1 439 . 20 1 1 A 36 36 ASN N N 36 112.302 114.337 -2.035 1
1 441 . 20 1 1 A 37 37 PRO HA H 37 3.891 4.274 -0.383 1
1 448 . 20 1 1 A 37 37 PRO C C 37 177.715 176.816 0.899 1
1 449 . 20 1 1 A 37 37 PRO CA C 37 64.104 64.276 -0.172 1
1 450 . 20 1 1 A 37 37 PRO CB C 37 32.380 31.851 0.529 1
1 453 . 20 1 1 A 38 38 ASP H H 38 8.843 8.671 0.172 1
1 454 . 20 1 1 A 38 38 ASP HA H 38 4.350 4.492 -0.142 1
1 457 . 20 1 1 A 38 38 ASP C C 38 176.942 176.945 -0.003 1
1 458 . 20 1 1 A 38 38 ASP CA C 38 56.035 55.833 0.202 1
1 459 . 20 1 1 A 38 38 ASP CB C 38 39.249 40.455 -1.206 1
1 460 . 20 1 1 A 38 38 ASP N N 38 118.913 117.085 1.828 1
1 461 . 20 1 1 A 39 39 LEU H H 39 7.548 7.321 0.227 1
1 462 . 20 1 1 A 39 39 LEU HA H 39 4.268 4.412 -0.144 1
1 472 . 20 1 1 A 39 39 LEU C C 39 176.727 176.180 0.547 1
1 473 . 20 1 1 A 39 39 LEU CA C 39 54.091 54.179 -0.088 1
1 474 . 20 1 1 A 39 39 LEU CB C 39 41.404 41.683 -0.279 1
1 478 . 20 1 1 A 39 39 LEU N N 39 117.047 116.358 0.689 1
1 479 . 20 1 1 A 40 40 ILE H H 40 7.047 7.067 -0.020 1
1 480 . 20 1 1 A 40 40 ILE HA H 40 2.710 3.790 -1.080 1
1 490 . 20 1 1 A 40 40 ILE C C 40 174.794 175.266 -0.472 1
1 491 . 20 1 1 A 40 40 ILE CA C 40 64.352 60.972 3.380 1
1 492 . 20 1 1 A 40 40 ILE CB C 40 37.301 36.906 0.395 1
1 496 . 20 1 1 A 40 40 ILE N N 40 118.412 121.451 -3.039 1
1 497 . 20 1 1 A 41 41 LYS H H 41 6.395 8.655 -2.260 1
1 498 . 20 1 1 A 41 41 LYS HA H 41 4.246 4.845 -0.599 1
1 507 . 20 1 1 A 41 41 LYS C C 41 174.422 174.554 -0.132 1
1 508 . 20 1 1 A 41 41 LYS CA C 41 54.521 54.031 0.490 1
1 509 . 20 1 1 A 41 41 LYS CB C 41 35.426 36.252 -0.826 1
1 513 . 20 1 1 A 41 41 LYS N N 41 122.843 126.673 -3.830 1
1 514 . 20 1 1 A 42 42 LYS H H 42 8.788 8.476 0.312 1
1 515 . 20 1 1 A 42 42 LYS HA H 42 3.603 4.179 -0.576 1
1 524 . 20 1 1 A 42 42 LYS C C 42 176.169 176.756 -0.587 1
1 525 . 20 1 1 A 42 42 LYS CA C 42 59.038 56.912 2.126 1
1 526 . 20 1 1 A 42 42 LYS CB C 42 31.981 32.787 -0.806 1
1 530 . 20 1 1 A 42 42 LYS N N 42 122.219 121.932 0.287 1
1 531 . 20 1 1 A 43 43 ASP H H 43 9.183 9.482 -0.299 1
1 532 . 20 1 1 A 43 43 ASP HA H 43 4.191 4.232 -0.041 1
1 535 . 20 1 1 A 43 43 ASP C C 43 174.866 174.781 0.085 1
1 536 . 20 1 1 A 43 43 ASP CA C 43 57.064 55.500 1.564 1
1 537 . 20 1 1 A 43 43 ASP CB C 43 38.724 40.326 -1.602 1
1 538 . 20 1 1 A 43 43 ASP N N 43 119.807 125.931 -6.124 1
1 539 . 20 1 1 A 44 44 ALA H H 44 7.669 7.746 -0.077 1
1 540 . 20 1 1 A 44 44 ALA HA H 44 4.273 4.553 -0.280 1
1 544 . 20 1 1 A 44 44 ALA C C 44 176.197 177.164 -0.967 1
1 545 . 20 1 1 A 44 44 ALA CA C 44 52.503 50.795 1.708 1
1 546 . 20 1 1 A 44 44 ALA CB C 44 19.511 20.546 -1.035 1
1 547 . 20 1 1 A 44 44 ALA N N 44 121.785 121.234 0.551 1
1 548 . 20 1 1 A 45 45 ALA H H 45 8.522 8.450 0.072 1
1 549 . 20 1 1 A 45 45 ALA HA H 45 4.820 4.994 -0.174 1
1 553 . 20 1 1 A 45 45 ALA C C 45 177.128 177.342 -0.214 1
1 554 . 20 1 1 A 45 45 ALA CA C 45 51.512 51.264 0.248 1
1 555 . 20 1 1 A 45 45 ALA CB C 45 19.306 20.368 -1.062 1
1 556 . 20 1 1 A 45 45 ALA N N 45 125.014 123.485 1.529 1
1 557 . 20 1 1 A 46 46 VAL H H 46 8.358 9.235 -0.877 1
1 558 . 20 1 1 A 46 46 VAL HA H 46 5.659 5.110 0.549 1
1 566 . 20 1 1 A 46 46 VAL C C 46 177.199 174.518 2.681 1
1 567 . 20 1 1 A 46 46 VAL CA C 46 57.919 59.291 -1.372 1
1 568 . 20 1 1 A 46 46 VAL CB C 46 36.362 35.802 0.560 1
1 571 . 20 1 1 A 46 46 VAL N N 46 109.774 116.106 -6.332 1
1 572 . 20 1 1 A 47 47 THR H H 47 8.902 9.387 -0.485 1
1 573 . 20 1 1 A 47 47 THR HA H 47 5.462 5.241 0.221 1
1 578 . 20 1 1 A 47 47 THR C C 47 173.405 173.621 -0.216 1
1 579 . 20 1 1 A 47 47 THR CA C 47 60.139 59.634 0.505 1
1 580 . 20 1 1 A 47 47 THR CB C 47 71.233 71.325 -0.092 1
1 582 . 20 1 1 A 47 47 THR N N 47 112.758 114.928 -2.170 1
1 583 . 20 1 1 A 48 48 PHE H H 48 8.423 8.763 -0.340 1
1 584 . 20 1 1 A 48 48 PHE HA H 48 5.099 5.183 -0.084 1
1 591 . 20 1 1 A 48 48 PHE C C 48 172.231 172.681 -0.450 1
1 592 . 20 1 1 A 48 48 PHE CA C 48 56.390 55.833 0.557 1
1 593 . 20 1 1 A 48 48 PHE CB C 48 41.169 41.502 -0.333 1
1 596 . 20 1 1 A 48 48 PHE N N 48 115.866 118.497 -2.631 1
1 597 . 20 1 1 A 49 49 GLU H H 49 8.622 8.691 -0.069 1
1 598 . 20 1 1 A 49 49 GLU HA H 49 4.907 5.079 -0.172 1
1 603 . 20 1 1 A 49 49 GLU CA C 49 51.497 53.856 -2.359 1
1 604 . 20 1 1 A 49 49 GLU CB C 49 28.890 32.719 -3.829 1
1 606 . 20 1 1 A 49 49 GLU N N 49 117.484 118.469 -0.985 1
1 607 . 20 1 1 A 50 50 PRO HA H 50 4.829 5.047 -0.218 1
1 614 . 20 1 1 A 50 50 PRO C C 50 175.925 175.466 0.459 1
1 615 . 20 1 1 A 50 50 PRO CA C 50 62.593 62.529 0.064 1
1 616 . 20 1 1 A 50 50 PRO CB C 50 32.917 32.545 0.372 1
1 619 . 20 1 1 A 51 51 THR H H 51 7.621 8.996 -1.375 1
1 620 . 20 1 1 A 51 51 THR HA H 51 4.742 5.129 -0.387 1
1 625 . 20 1 1 A 51 51 THR C C 51 172.074 172.842 -0.768 1
1 626 . 20 1 1 A 51 51 THR CA C 51 60.558 59.793 0.765 1
1 627 . 20 1 1 A 51 51 THR CB C 51 68.841 71.784 -2.943 1
1 629 . 20 1 1 A 51 51 THR N N 51 112.909 116.644 -3.735 1
1 630 . 20 1 1 A 52 52 THR H H 52 8.367 8.895 -0.528 1
1 631 . 20 1 1 A 52 52 THR HA H 52 4.975 5.324 -0.349 1
1 636 . 20 1 1 A 52 52 THR C C 52 173.047 173.819 -0.772 1
1 637 . 20 1 1 A 52 52 THR CA C 52 60.794 60.386 0.408 1
1 638 . 20 1 1 A 52 52 THR CB C 52 71.210 70.785 0.425 1
1 640 . 20 1 1 A 52 52 THR N N 52 117.260 116.583 0.677 1
1 641 . 20 1 1 A 53 53 ASN H H 53 8.827 8.632 0.195 1
1 642 . 20 1 1 A 53 53 ASN HA H 53 4.756 5.058 -0.302 1
1 647 . 20 1 1 A 53 53 ASN CA C 53 53.430 51.992 1.438 1
1 648 . 20 1 1 A 53 53 ASN CB C 53 38.660 41.260 -2.600 1
1 649 . 20 1 1 A 53 53 ASN N N 53 122.737 123.277 -0.540 1
1 651 . 20 1 1 A 54 54 ASN HA H 54 4.420 4.471 -0.051 1
1 656 . 20 1 1 A 54 54 ASN C C 54 176.154 176.468 -0.314 1
1 657 . 20 1 1 A 54 54 ASN CA C 54 55.580 55.121 0.459 1
1 658 . 20 1 1 A 54 54 ASN CB C 54 36.917 38.138 -1.221 1
1 660 . 20 1 1 A 55 55 LYS H H 55 8.190 7.781 0.409 1
1 661 . 20 1 1 A 55 55 LYS HA H 55 4.225 4.200 0.025 1
1 670 . 20 1 1 A 55 55 LYS C C 55 176.154 176.474 -0.320 1
1 671 . 20 1 1 A 55 55 LYS CA C 55 55.113 56.419 -1.306 1
1 672 . 20 1 1 A 55 55 LYS CB C 55 31.703 33.155 -1.452 1
1 676 . 20 1 1 A 55 55 LYS N N 55 117.935 116.712 1.223 1
1 677 . 20 1 1 A 56 56 GLY H H 56 7.966 7.014 0.952 1
1 678 . 20 1 1 A 56 56 GLY HA2 H 56 4.496 4.078 0.418 1
1 679 . 20 1 1 A 56 56 GLY HA3 H 56 3.794 4.084 -0.290 1
1 680 . 20 1 1 A 56 56 GLY C C 56 173.262 171.854 1.408 1
1 681 . 20 1 1 A 56 56 GLY CA C 56 44.177 45.323 -1.146 1
1 682 . 20 1 1 A 56 56 GLY N N 56 108.898 105.734 3.164 1
1 683 . 20 1 1 A 57 57 LEU H H 57 8.716 8.487 0.229 1
1 684 . 20 1 1 A 57 57 LEU HA H 57 4.442 4.660 -0.218 1
1 694 . 20 1 1 A 57 57 LEU C C 57 178.488 175.589 2.899 1
1 695 . 20 1 1 A 57 57 LEU CA C 57 56.424 55.119 1.305 1
1 696 . 20 1 1 A 57 57 LEU CB C 57 42.582 42.525 0.057 1
1 700 . 20 1 1 A 57 57 LEU N N 57 122.286 123.228 -0.942 1
1 701 . 20 1 1 A 58 58 SER H H 58 9.033 8.871 0.162 1
1 702 . 20 1 1 A 58 58 SER HA H 58 5.696 5.171 0.525 1
1 705 . 20 1 1 A 58 58 SER C C 58 173.820 172.258 1.562 1
1 706 . 20 1 1 A 58 58 SER CA C 58 56.715 57.944 -1.229 1
1 707 . 20 1 1 A 58 58 SER CB C 58 65.779 66.912 -1.133 1
1 708 . 20 1 1 A 58 58 SER N N 58 117.913 117.653 0.260 1
1 709 . 20 1 1 A 59 59 ALA H H 59 8.775 8.285 0.490 1
1 710 . 20 1 1 A 59 59 ALA HA H 59 5.409 5.278 0.131 1
1 714 . 20 1 1 A 59 59 ALA C C 59 174.966 175.270 -0.304 1
1 715 . 20 1 1 A 59 59 ALA CA C 59 50.783 50.249 0.534 1
1 716 . 20 1 1 A 59 59 ALA CB C 59 23.985 23.261 0.724 1
1 717 . 20 1 1 A 59 59 ALA N N 59 125.556 122.948 2.608 1
1 718 . 20 1 1 A 60 60 TYR H H 60 9.347 8.998 0.349 1
1 719 . 20 1 1 A 60 60 TYR HA H 60 5.030 5.032 -0.002 1
1 726 . 20 1 1 A 60 60 TYR C C 60 171.673 174.023 -2.350 1
1 727 . 20 1 1 A 60 60 TYR CA C 60 55.484 55.949 -0.465 1
1 728 . 20 1 1 A 60 60 TYR CB C 60 39.502 41.175 -1.673 1
1 731 . 20 1 1 A 60 60 TYR N N 60 118.946 116.904 2.042 1
1 732 . 20 1 1 A 61 61 ALA H H 61 9.176 8.589 0.587 1
1 733 . 20 1 1 A 61 61 ALA HA H 61 4.116 3.869 0.247 1
1 737 . 20 1 1 A 61 61 ALA C C 61 175.825 176.648 -0.823 1
1 738 . 20 1 1 A 61 61 ALA CA C 61 52.809 52.853 -0.044 1
1 739 . 20 1 1 A 61 61 ALA CB C 61 16.597 17.231 -0.634 1
1 740 . 20 1 1 A 61 61 ALA N N 61 124.113 120.499 3.614 1
1 741 . 20 1 1 A 62 62 VAL H H 62 7.968 8.380 -0.412 1
1 742 . 20 1 1 A 62 62 VAL HA H 62 4.300 4.249 0.051 1
1 750 . 20 1 1 A 62 62 VAL C C 62 175.395 175.867 -0.472 1
1 751 . 20 1 1 A 62 62 VAL CA C 62 62.252 62.858 -0.606 1
1 752 . 20 1 1 A 62 62 VAL CB C 62 31.435 31.732 -0.297 1
1 755 . 20 1 1 A 62 62 VAL N N 62 116.561 118.242 -1.681 1
1 756 . 20 1 1 A 63 63 LYS H H 63 9.208 9.302 -0.094 1
1 757 . 20 1 1 A 63 63 LYS HA H 63 4.633 4.825 -0.192 1
1 766 . 20 1 1 A 63 63 LYS C C 63 175.238 175.631 -0.393 1
1 767 . 20 1 1 A 63 63 LYS CA C 63 54.729 55.111 -0.382 1
1 768 . 20 1 1 A 63 63 LYS CB C 63 34.859 34.134 0.725 1
1 772 . 20 1 1 A 63 63 LYS N N 63 128.892 128.181 0.711 1
1 773 . 20 1 1 A 64 64 VAL H H 64 9.588 9.124 0.464 1
1 774 . 20 1 1 A 64 64 VAL HA H 64 4.345 4.074 0.271 1
1 782 . 20 1 1 A 64 64 VAL C C 64 176.856 175.654 1.202 1
1 783 . 20 1 1 A 64 64 VAL CA C 64 62.563 63.010 -0.447 1
1 784 . 20 1 1 A 64 64 VAL CB C 64 30.916 32.150 -1.234 1
1 787 . 20 1 1 A 64 64 VAL N N 64 126.595 125.450 1.145 1
1 788 . 20 1 1 A 65 65 VAL H H 65 8.597 8.583 0.014 1
1 789 . 20 1 1 A 65 65 VAL HA H 65 4.370 4.520 -0.150 1
1 797 . 20 1 1 A 65 65 VAL CA C 65 62.480 59.381 3.099 1
1 798 . 20 1 1 A 65 65 VAL CB C 65 32.436 31.900 0.536 1
1 801 . 20 1 1 A 65 65 VAL N N 65 127.945 126.121 1.824 1
1 802 . 20 1 1 A 66 66 PRO HA H 66 4.385 4.617 -0.232 1
1 809 . 20 1 1 A 66 66 PRO C C 66 176.627 177.645 -1.018 1
1 810 . 20 1 1 A 66 66 PRO CA C 66 62.511 62.673 -0.162 1
1 811 . 20 1 1 A 66 66 PRO CB C 66 31.875 32.812 -0.937 1
1 814 . 20 1 1 A 67 67 LEU H H 67 8.236 8.500 -0.264 1
1 815 . 20 1 1 A 67 67 LEU HA H 67 4.181 3.980 0.201 1
1 825 . 20 1 1 A 67 67 LEU C C 67 177.357 177.256 0.101 1
1 826 . 20 1 1 A 67 67 LEU CA C 67 55.352 57.147 -1.795 1
1 827 . 20 1 1 A 67 67 LEU CB C 67 42.355 41.960 0.395 1
1 831 . 20 1 1 A 67 67 LEU N N 67 122.691 122.400 0.291 1
1 832 . 20 1 1 A 68 68 GLU H H 68 8.432 8.243 0.189 1
1 833 . 20 1 1 A 68 68 GLU HA H 68 4.184 4.730 -0.546 1
1 838 . 20 1 1 A 68 68 GLU C C 68 176.054 177.633 -1.579 1
1 839 . 20 1 1 A 68 68 GLU CA C 68 56.250 57.941 -1.691 1
1 840 . 20 1 1 A 68 68 GLU CB C 68 30.077 31.755 -1.678 1
1 842 . 20 1 1 A 68 68 GLU N N 68 121.298 117.760 3.538 1
1 843 . 20 1 1 A 69 69 HIS H H 69 8.303 7.853 0.450 1
1 844 . 20 1 1 A 69 69 HIS HA H 69 4.517 4.890 -0.373 1
1 849 . 20 1 1 A 69 69 HIS C C 69 173.863 174.516 -0.653 1
1 850 . 20 1 1 A 69 69 HIS CA C 69 55.663 57.011 -1.348 1
1 851 . 20 1 1 A 69 69 HIS CB C 69 29.904 32.087 -2.183 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 64 1.300 1
2 1 1 1 "RMS(OBS, PRED)" CA 68 1.239 1
3 1 1 1 "RMS(OBS, PRED)" CB 63 1.472 1
4 1 1 1 "RMS(OBS, PRED)" H 63 0.710 1
5 1 1 1 "RMS(OBS, PRED)" HA 73 0.377 1
6 1 1 1 "RMS(OBS, PRED)" N 62 2.639 1
7 1 2 1 "RMS(OBS, PRED)" C 64 1.303 1
8 1 2 1 "RMS(OBS, PRED)" CA 68 1.234 1
9 1 2 1 "RMS(OBS, PRED)" CB 63 1.378 1
10 1 2 1 "RMS(OBS, PRED)" H 63 0.720 1
11 1 2 1 "RMS(OBS, PRED)" HA 73 0.384 1
12 1 2 1 "RMS(OBS, PRED)" N 62 2.535 1
13 1 3 1 "RMS(OBS, PRED)" C 64 1.472 1
14 1 3 1 "RMS(OBS, PRED)" CA 68 1.292 1
15 1 3 1 "RMS(OBS, PRED)" CB 63 1.298 1
16 1 3 1 "RMS(OBS, PRED)" H 63 0.749 1
17 1 3 1 "RMS(OBS, PRED)" HA 73 0.381 1
18 1 3 1 "RMS(OBS, PRED)" N 62 2.718 1
19 1 4 1 "RMS(OBS, PRED)" C 64 1.260 1
20 1 4 1 "RMS(OBS, PRED)" CA 68 1.274 1
21 1 4 1 "RMS(OBS, PRED)" CB 63 1.525 1
22 1 4 1 "RMS(OBS, PRED)" H 63 0.728 1
23 1 4 1 "RMS(OBS, PRED)" HA 73 0.376 1
24 1 4 1 "RMS(OBS, PRED)" N 62 2.480 1
25 1 5 1 "RMS(OBS, PRED)" C 64 1.269 1
26 1 5 1 "RMS(OBS, PRED)" CA 68 1.242 1
27 1 5 1 "RMS(OBS, PRED)" CB 63 1.419 1
28 1 5 1 "RMS(OBS, PRED)" H 63 0.727 1
29 1 5 1 "RMS(OBS, PRED)" HA 73 0.358 1
30 1 5 1 "RMS(OBS, PRED)" N 62 2.791 1
31 1 6 1 "RMS(OBS, PRED)" C 64 1.331 1
32 1 6 1 "RMS(OBS, PRED)" CA 68 1.171 1
33 1 6 1 "RMS(OBS, PRED)" CB 63 1.416 1
34 1 6 1 "RMS(OBS, PRED)" H 63 0.727 1
35 1 6 1 "RMS(OBS, PRED)" HA 73 0.374 1
36 1 6 1 "RMS(OBS, PRED)" N 62 2.642 1
37 1 7 1 "RMS(OBS, PRED)" C 64 1.345 1
38 1 7 1 "RMS(OBS, PRED)" CA 68 1.278 1
39 1 7 1 "RMS(OBS, PRED)" CB 63 1.275 1
40 1 7 1 "RMS(OBS, PRED)" H 63 0.740 1
41 1 7 1 "RMS(OBS, PRED)" HA 73 0.384 1
42 1 7 1 "RMS(OBS, PRED)" N 62 2.780 1
43 1 8 1 "RMS(OBS, PRED)" C 64 1.255 1
44 1 8 1 "RMS(OBS, PRED)" CA 68 1.332 1
45 1 8 1 "RMS(OBS, PRED)" CB 63 1.286 1
46 1 8 1 "RMS(OBS, PRED)" H 63 0.751 1
47 1 8 1 "RMS(OBS, PRED)" HA 73 0.421 1
48 1 8 1 "RMS(OBS, PRED)" N 62 2.647 1
49 1 9 1 "RMS(OBS, PRED)" C 64 1.260 1
50 1 9 1 "RMS(OBS, PRED)" CA 68 1.108 1
51 1 9 1 "RMS(OBS, PRED)" CB 63 1.385 1
52 1 9 1 "RMS(OBS, PRED)" H 63 0.723 1
53 1 9 1 "RMS(OBS, PRED)" HA 73 0.395 1
54 1 9 1 "RMS(OBS, PRED)" N 62 2.392 1
55 1 10 1 "RMS(OBS, PRED)" C 64 1.263 1
56 1 10 1 "RMS(OBS, PRED)" CA 68 1.225 1
57 1 10 1 "RMS(OBS, PRED)" CB 63 1.369 1
58 1 10 1 "RMS(OBS, PRED)" H 63 0.722 1
59 1 10 1 "RMS(OBS, PRED)" HA 73 0.385 1
60 1 10 1 "RMS(OBS, PRED)" N 62 2.545 1
61 1 11 1 "RMS(OBS, PRED)" C 64 1.361 1
62 1 11 1 "RMS(OBS, PRED)" CA 68 1.245 1
63 1 11 1 "RMS(OBS, PRED)" CB 63 1.456 1
64 1 11 1 "RMS(OBS, PRED)" H 63 0.687 1
65 1 11 1 "RMS(OBS, PRED)" HA 73 0.404 1
66 1 11 1 "RMS(OBS, PRED)" N 62 2.729 1
67 1 12 1 "RMS(OBS, PRED)" C 64 1.339 1
68 1 12 1 "RMS(OBS, PRED)" CA 68 1.278 1
69 1 12 1 "RMS(OBS, PRED)" CB 63 1.387 1
70 1 12 1 "RMS(OBS, PRED)" H 63 0.698 1
71 1 12 1 "RMS(OBS, PRED)" HA 73 0.395 1
72 1 12 1 "RMS(OBS, PRED)" N 62 2.676 1
73 1 13 1 "RMS(OBS, PRED)" C 64 1.246 1
74 1 13 1 "RMS(OBS, PRED)" CA 68 1.161 1
75 1 13 1 "RMS(OBS, PRED)" CB 63 1.492 1
76 1 13 1 "RMS(OBS, PRED)" H 63 0.634 1
77 1 13 1 "RMS(OBS, PRED)" HA 73 0.357 1
78 1 13 1 "RMS(OBS, PRED)" N 62 2.609 1
79 1 14 1 "RMS(OBS, PRED)" C 64 1.276 1
80 1 14 1 "RMS(OBS, PRED)" CA 68 1.274 1
81 1 14 1 "RMS(OBS, PRED)" CB 63 1.223 1
82 1 14 1 "RMS(OBS, PRED)" H 63 0.706 1
83 1 14 1 "RMS(OBS, PRED)" HA 73 0.361 1
84 1 14 1 "RMS(OBS, PRED)" N 62 2.729 1
85 1 15 1 "RMS(OBS, PRED)" C 64 1.408 1
86 1 15 1 "RMS(OBS, PRED)" CA 68 1.156 1
87 1 15 1 "RMS(OBS, PRED)" CB 63 1.339 1
88 1 15 1 "RMS(OBS, PRED)" H 63 0.693 1
89 1 15 1 "RMS(OBS, PRED)" HA 73 0.362 1
90 1 15 1 "RMS(OBS, PRED)" N 62 2.710 1
91 1 16 1 "RMS(OBS, PRED)" C 64 1.271 1
92 1 16 1 "RMS(OBS, PRED)" CA 68 1.227 1
93 1 16 1 "RMS(OBS, PRED)" CB 63 1.197 1
94 1 16 1 "RMS(OBS, PRED)" H 63 0.748 1
95 1 16 1 "RMS(OBS, PRED)" HA 73 0.383 1
96 1 16 1 "RMS(OBS, PRED)" N 62 2.555 1
97 1 17 1 "RMS(OBS, PRED)" C 64 1.264 1
98 1 17 1 "RMS(OBS, PRED)" CA 68 1.206 1
99 1 17 1 "RMS(OBS, PRED)" CB 63 1.337 1
100 1 17 1 "RMS(OBS, PRED)" H 63 0.716 1
101 1 17 1 "RMS(OBS, PRED)" HA 73 0.408 1
102 1 17 1 "RMS(OBS, PRED)" N 62 2.502 1
103 1 18 1 "RMS(OBS, PRED)" C 64 1.245 1
104 1 18 1 "RMS(OBS, PRED)" CA 68 1.217 1
105 1 18 1 "RMS(OBS, PRED)" CB 63 1.462 1
106 1 18 1 "RMS(OBS, PRED)" H 63 0.717 1
107 1 18 1 "RMS(OBS, PRED)" HA 73 0.375 1
108 1 18 1 "RMS(OBS, PRED)" N 62 2.596 1
109 1 19 1 "RMS(OBS, PRED)" C 64 1.317 1
110 1 19 1 "RMS(OBS, PRED)" CA 68 1.255 1
111 1 19 1 "RMS(OBS, PRED)" CB 63 1.331 1
112 1 19 1 "RMS(OBS, PRED)" H 63 0.719 1
113 1 19 1 "RMS(OBS, PRED)" HA 73 0.388 1
114 1 19 1 "RMS(OBS, PRED)" N 62 2.921 1
115 1 20 1 "RMS(OBS, PRED)" C 64 1.263 1
116 1 20 1 "RMS(OBS, PRED)" CA 68 1.209 1
117 1 20 1 "RMS(OBS, PRED)" CB 63 1.380 1
118 1 20 1 "RMS(OBS, PRED)" H 63 0.703 1
119 1 20 1 "RMS(OBS, PRED)" HA 73 0.359 1
120 1 20 1 "RMS(OBS, PRED)" N 62 2.564 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 1 . 1 1 A 2 2 ALA HA H 2 3.908 4.557 -0.649 2
1 5 . 1 1 A 2 2 ALA C C 2 174.665 176.853 -2.188 2
1 6 . 1 1 A 2 2 ALA CA C 2 51.696 52.175 -0.479 2
1 7 . 1 1 A 2 2 ALA CB C 2 19.380 19.261 0.119 2
1 8 . 1 1 A 3 3 MET H H 3 8.516 8.739 -0.223 2
1 9 . 1 1 A 3 3 MET HA H 3 4.349 5.028 -0.679 2
1 17 . 1 1 A 3 3 MET C C 3 173.119 174.522 -1.403 2
1 18 . 1 1 A 3 3 MET CA C 3 54.457 53.835 0.622 2
1 19 . 1 1 A 3 3 MET CB C 3 37.020 35.294 1.726 2
1 22 . 1 1 A 3 3 MET N N 3 118.958 121.694 -2.736 2
1 23 . 1 1 A 4 4 ASN H H 4 8.627 8.598 0.029 2
1 24 . 1 1 A 4 4 ASN HA H 4 5.470 5.531 -0.061 2
1 29 . 1 1 A 4 4 ASN C C 4 175.782 174.735 1.047 2
1 30 . 1 1 A 4 4 ASN CA C 4 52.043 51.608 0.434 2
1 31 . 1 1 A 4 4 ASN CB C 4 41.102 40.834 0.268 2
1 32 . 1 1 A 4 4 ASN N N 4 116.608 117.516 -0.908 2
1 34 . 1 1 A 5 5 GLY H H 5 8.444 8.713 -0.269 2
1 35 . 1 1 A 5 5 GLY HA2 H 5 4.652 4.445 0.207 2
1 36 . 1 1 A 5 5 GLY HA3 H 5 3.710 4.652 -0.943 2
1 37 . 1 1 A 5 5 GLY C C 5 171.487 171.874 -0.387 2
1 38 . 1 1 A 5 5 GLY CA C 5 46.682 44.997 1.685 2
1 39 . 1 1 A 5 5 GLY N N 5 104.747 108.663 -3.916 2
1 40 . 1 1 A 6 6 THR H H 6 8.303 9.294 -0.991 2
1 41 . 1 1 A 6 6 THR HA H 6 5.193 5.201 -0.008 2
1 46 . 1 1 A 6 6 THR C C 6 173.634 174.103 -0.469 2
1 47 . 1 1 A 6 6 THR CA C 6 60.367 61.272 -0.905 2
1 48 . 1 1 A 6 6 THR CB C 6 72.071 70.946 1.125 2
1 50 . 1 1 A 6 6 THR N N 6 114.893 114.955 -0.062 2
1 51 . 1 1 A 7 7 ILE H H 7 8.887 9.056 -0.170 2
1 52 . 1 1 A 7 7 ILE HA H 7 4.189 4.024 0.165 2
1 62 . 1 1 A 7 7 ILE C C 7 175.782 176.674 -0.893 2
1 63 . 1 1 A 7 7 ILE CA C 7 62.394 61.823 0.571 2
1 64 . 1 1 A 7 7 ILE CB C 7 37.461 36.820 0.641 2
1 68 . 1 1 A 7 7 ILE N N 7 125.014 126.992 -1.978 2
1 69 . 1 1 A 8 8 THR H H 8 8.968 8.669 0.299 2
1 70 . 1 1 A 8 8 THR HA H 8 4.583 4.516 0.067 2
1 75 . 1 1 A 8 8 THR C C 8 175.352 174.671 0.681 2
1 76 . 1 1 A 8 8 THR CA C 8 62.547 62.562 -0.015 2
1 77 . 1 1 A 8 8 THR CB C 8 69.324 69.703 -0.379 2
1 79 . 1 1 A 8 8 THR N N 8 123.264 119.793 3.471 2
1 80 . 1 1 A 9 9 THR H H 9 7.744 7.731 0.013 2
1 81 . 1 1 A 9 9 THR HA H 9 4.408 4.977 -0.569 2
1 86 . 1 1 A 9 9 THR C C 9 171.759 172.869 -1.111 2
1 87 . 1 1 A 9 9 THR CA C 9 61.370 61.734 -0.364 2
1 88 . 1 1 A 9 9 THR CB C 9 72.472 71.171 1.301 2
1 90 . 1 1 A 9 9 THR N N 9 116.608 114.536 2.072 2
1 91 . 1 1 A 10 10 TRP H H 10 8.620 8.470 0.150 2
1 92 . 1 1 A 10 10 TRP HA H 10 4.844 5.116 -0.272 2
1 101 . 1 1 A 10 10 TRP C C 10 172.833 174.103 -1.270 2
1 102 . 1 1 A 10 10 TRP CA C 10 55.471 56.027 -0.556 2
1 103 . 1 1 A 10 10 TRP CB C 10 32.843 32.735 0.108 2
1 109 . 1 1 A 10 10 TRP N N 10 126.095 127.845 -1.750 2
1 111 . 1 1 A 11 11 PHE H H 11 7.892 8.466 -0.574 2
1 112 . 1 1 A 11 11 PHE HA H 11 4.508 4.592 -0.084 2
1 120 . 1 1 A 11 11 PHE C C 11 174.493 175.194 -0.701 2
1 121 . 1 1 A 11 11 PHE CA C 11 54.001 55.894 -1.893 2
1 122 . 1 1 A 11 11 PHE CB C 11 36.906 38.611 -1.705 2
1 126 . 1 1 A 11 11 PHE N N 11 127.953 125.998 1.955 2
1 127 . 1 1 A 12 12 LYS H H 12 7.844 8.058 -0.214 2
1 128 . 1 1 A 12 12 LYS HA H 12 2.844 3.437 -0.593 2
1 137 . 1 1 A 12 12 LYS C C 12 177.701 177.495 0.206 2
1 138 . 1 1 A 12 12 LYS CA C 12 59.164 59.591 -0.427 2
1 139 . 1 1 A 12 12 LYS CB C 12 32.427 32.199 0.228 2
1 143 . 1 1 A 12 12 LYS N N 12 125.042 125.264 -0.222 2
1 144 . 1 1 A 13 13 ASP H H 13 8.638 8.033 0.605 2
1 145 . 1 1 A 13 13 ASP HA H 13 4.281 4.361 -0.080 2
1 148 . 1 1 A 13 13 ASP C C 13 176.827 177.980 -1.153 2
1 149 . 1 1 A 13 13 ASP CA C 13 55.401 56.868 -1.467 2
1 150 . 1 1 A 13 13 ASP CB C 13 39.349 40.965 -1.616 2
1 151 . 1 1 A 13 13 ASP N N 13 114.668 119.168 -4.500 2
1 152 . 1 1 A 14 14 LYS H H 14 6.965 7.551 -0.586 2
1 153 . 1 1 A 14 14 LYS HA H 14 4.425 4.236 0.189 2
1 162 . 1 1 A 14 14 LYS C C 14 176.913 176.787 0.126 2
1 163 . 1 1 A 14 14 LYS CA C 14 55.288 56.734 -1.446 2
1 164 . 1 1 A 14 14 LYS CB C 14 34.562 33.244 1.318 2
1 168 . 1 1 A 14 14 LYS N N 14 116.507 116.846 -0.339 2
1 169 . 1 1 A 15 15 GLY H H 15 7.619 8.459 -0.840 2
1 170 . 1 1 A 15 15 GLY HA2 H 15 3.875 3.743 0.132 2
1 171 . 1 1 A 15 15 GLY HA3 H 15 3.499 3.880 -0.381 2
1 172 . 1 1 A 15 15 GLY C C 15 171.358 173.604 -2.246 2
1 173 . 1 1 A 15 15 GLY CA C 15 46.020 45.143 0.877 2
1 174 . 1 1 A 15 15 GLY N N 15 107.093 106.993 0.100 2
1 175 . 1 1 A 16 16 PHE H H 16 6.663 7.076 -0.413 2
1 176 . 1 1 A 16 16 PHE HA H 16 4.866 5.067 -0.201 2
1 183 . 1 1 A 16 16 PHE C C 16 171.472 174.004 -2.532 2
1 184 . 1 1 A 16 16 PHE CA C 16 54.765 55.510 -0.745 2
1 185 . 1 1 A 16 16 PHE CB C 16 41.805 42.032 -0.227 2
1 188 . 1 1 A 16 16 PHE N N 16 112.369 115.651 -3.282 2
1 189 . 1 1 A 17 17 GLY H H 17 7.436 8.196 -0.760 2
1 190 . 1 1 A 17 17 GLY HA2 H 17 3.951 4.254 -0.303 2
1 191 . 1 1 A 17 17 GLY HA3 H 17 3.399 4.501 -1.102 2
1 192 . 1 1 A 17 17 GLY C C 17 169.926 171.376 -1.450 2
1 193 . 1 1 A 17 17 GLY CA C 17 45.073 45.907 -0.834 2
1 194 . 1 1 A 17 17 GLY N N 17 105.719 106.972 -1.253 2
1 195 . 1 1 A 18 18 PHE H H 18 8.505 9.308 -0.803 2
1 196 . 1 1 A 18 18 PHE HA H 18 5.728 5.707 0.021 2
1 204 . 1 1 A 18 18 PHE C C 18 175.023 175.021 0.002 2
1 205 . 1 1 A 18 18 PHE CA C 18 56.493 56.223 0.270 2
1 206 . 1 1 A 18 18 PHE CB C 18 43.783 42.758 1.025 2
1 210 . 1 1 A 18 18 PHE N N 18 113.767 118.851 -5.084 2
1 211 . 1 1 A 19 19 ILE H H 19 9.615 8.938 0.677 2
1 212 . 1 1 A 19 19 ILE HA H 19 4.679 4.782 -0.103 2
1 222 . 1 1 A 19 19 ILE C C 19 174.894 174.561 0.333 2
1 223 . 1 1 A 19 19 ILE CA C 19 58.585 60.139 -1.554 2
1 224 . 1 1 A 19 19 ILE CB C 19 43.854 40.968 2.886 2
1 228 . 1 1 A 19 19 ILE N N 19 122.746 122.906 -0.160 2
1 229 . 1 1 A 20 20 LYS H H 20 8.971 8.769 0.202 2
1 230 . 1 1 A 20 20 LYS HA H 20 5.241 5.142 0.099 2
1 239 . 1 1 A 20 20 LYS C C 20 177.413 176.128 1.285 2
1 240 . 1 1 A 20 20 LYS CA C 20 54.622 55.346 -0.724 2
1 241 . 1 1 A 20 20 LYS CB C 20 33.070 34.254 -1.184 2
1 245 . 1 1 A 20 20 LYS N N 20 127.450 128.099 -0.649 2
1 246 . 1 1 A 21 21 ASP H H 21 9.363 8.448 0.915 2
1 247 . 1 1 A 21 21 ASP HA H 21 5.241 5.072 0.169 2
1 250 . 1 1 A 21 21 ASP C C 21 178.431 177.193 1.238 2
1 251 . 1 1 A 21 21 ASP CA C 21 52.981 52.414 0.567 2
1 252 . 1 1 A 21 21 ASP CB C 21 44.583 41.988 2.595 2
1 253 . 1 1 A 21 21 ASP N N 21 129.797 125.418 4.379 2
1 254 . 1 1 A 22 22 GLU H H 22 8.127 8.613 -0.485 2
1 255 . 1 1 A 22 22 GLU HA H 22 4.264 4.259 0.005 2
1 260 . 1 1 A 22 22 GLU C C 22 176.226 177.765 -1.539 2
1 261 . 1 1 A 22 22 GLU CA C 22 57.515 58.063 -0.548 2
1 262 . 1 1 A 22 22 GLU CB C 22 29.830 29.671 0.159 2
1 264 . 1 1 A 22 22 GLU N N 22 115.545 118.683 -3.138 2
1 265 . 1 1 A 23 23 ASN H H 23 8.606 8.265 0.341 2
1 266 . 1 1 A 23 23 ASN HA H 23 4.963 4.841 0.122 2
1 271 . 1 1 A 23 23 ASN C C 23 175.582 176.367 -0.785 2
1 272 . 1 1 A 23 23 ASN CA C 23 52.968 54.267 -1.299 2
1 273 . 1 1 A 23 23 ASN CB C 23 39.172 39.645 -0.473 2
1 274 . 1 1 A 23 23 ASN N N 23 118.707 117.607 1.100 2
1 276 . 1 1 A 24 24 GLY H H 24 8.451 8.526 -0.075 2
1 277 . 1 1 A 24 24 GLY HA2 H 24 4.323 4.015 0.308 2
1 278 . 1 1 A 24 24 GLY HA3 H 24 3.484 4.028 -0.544 2
1 279 . 1 1 A 24 24 GLY C C 24 174.121 173.514 0.607 2
1 280 . 1 1 A 24 24 GLY CA C 24 44.816 45.556 -0.740 2
1 281 . 1 1 A 24 24 GLY N N 24 108.999 107.350 1.649 2
1 282 . 1 1 A 25 25 ASP H H 25 8.326 7.809 0.516 2
1 283 . 1 1 A 25 25 ASP HA H 25 4.792 5.026 -0.234 2
1 286 . 1 1 A 25 25 ASP C C 25 173.047 174.525 -1.478 2
1 287 . 1 1 A 25 25 ASP CA C 25 54.677 52.805 1.872 2
1 288 . 1 1 A 25 25 ASP CB C 25 41.577 44.043 -2.466 2
1 289 . 1 1 A 25 25 ASP N N 25 121.814 119.349 2.465 2
1 290 . 1 1 A 26 26 ASN H H 26 8.503 8.775 -0.272 2
1 291 . 1 1 A 26 26 ASN HA H 26 5.607 5.467 0.140 2
1 296 . 1 1 A 26 26 ASN C C 26 175.496 174.810 0.686 2
1 297 . 1 1 A 26 26 ASN CA C 26 52.290 52.574 -0.284 2
1 298 . 1 1 A 26 26 ASN CB C 26 40.017 40.037 -0.020 2
1 299 . 1 1 A 26 26 ASN N N 26 119.224 119.055 0.169 2
1 301 . 1 1 A 27 27 ARG H H 27 9.884 9.070 0.814 2
1 302 . 1 1 A 27 27 ARG HA H 27 4.720 4.993 -0.273 2
1 309 . 1 1 A 27 27 ARG C C 27 174.665 175.008 -0.343 2
1 310 . 1 1 A 27 27 ARG CA C 27 54.314 54.661 -0.347 2
1 311 . 1 1 A 27 27 ARG CB C 27 33.562 32.953 0.609 2
1 314 . 1 1 A 27 27 ARG N N 27 122.242 123.725 -1.483 2
1 315 . 1 1 A 28 28 TYR H H 28 8.314 9.181 -0.867 2
1 316 . 1 1 A 28 28 TYR HA H 28 4.365 4.852 -0.487 2
1 323 . 1 1 A 28 28 TYR C C 28 174.765 174.384 0.381 2
1 324 . 1 1 A 28 28 TYR CA C 28 58.102 57.950 0.152 2
1 325 . 1 1 A 28 28 TYR CB C 28 39.606 39.216 0.390 2
1 328 . 1 1 A 28 28 TYR N N 28 126.908 123.944 2.964 2
1 329 . 1 1 A 29 29 PHE H H 29 7.873 9.153 -1.280 2
1 330 . 1 1 A 29 29 PHE HA H 29 5.159 5.077 0.082 2
1 338 . 1 1 A 29 29 PHE C C 29 169.840 174.669 -4.829 2
1 339 . 1 1 A 29 29 PHE CA C 29 56.025 56.547 -0.522 2
1 340 . 1 1 A 29 29 PHE CB C 29 42.454 42.238 0.216 2
1 344 . 1 1 A 29 29 PHE N N 29 124.137 126.071 -1.934 2
1 345 . 1 1 A 30 30 HIS H H 30 8.255 8.676 -0.421 2
1 346 . 1 1 A 30 30 HIS HA H 30 4.819 5.227 -0.408 2
1 351 . 1 1 A 30 30 HIS C C 30 176.598 175.225 1.373 2
1 352 . 1 1 A 30 30 HIS CA C 30 55.040 55.937 -0.897 2
1 353 . 1 1 A 30 30 HIS CB C 30 35.066 33.201 1.865 2
1 356 . 1 1 A 30 30 HIS N N 30 119.922 121.298 -1.376 2
1 357 . 1 1 A 31 31 VAL H H 31 8.390 9.100 -0.710 2
1 358 . 1 1 A 31 31 VAL HA H 31 3.911 3.947 -0.036 2
1 366 . 1 1 A 31 31 VAL C C 31 176.713 176.907 -0.194 2
1 367 . 1 1 A 31 31 VAL CA C 31 65.423 65.152 0.271 2
1 368 . 1 1 A 31 31 VAL CB C 31 32.354 31.826 0.527 2
1 371 . 1 1 A 31 31 VAL N N 31 126.977 124.900 2.077 2
1 372 . 1 1 A 32 32 ILE H H 32 10.207 7.548 2.659 2
1 373 . 1 1 A 32 32 ILE HA H 32 4.397 3.863 0.534 2
1 383 . 1 1 A 32 32 ILE C C 32 177.414 177.266 0.148 2
1 384 . 1 1 A 32 32 ILE CA C 32 63.601 62.907 0.694 2
1 385 . 1 1 A 32 32 ILE CB C 32 38.023 37.641 0.382 2
1 389 . 1 1 A 32 32 ILE N N 32 123.360 120.413 2.947 2
1 390 . 1 1 A 33 33 LYS H H 33 8.435 7.614 0.821 2
1 391 . 1 1 A 33 33 LYS HA H 33 4.734 4.442 0.292 2
1 400 . 1 1 A 33 33 LYS C C 33 175.037 175.928 -0.891 2
1 401 . 1 1 A 33 33 LYS CA C 33 54.046 56.315 -2.269 2
1 402 . 1 1 A 33 33 LYS CB C 33 31.743 33.172 -1.429 2
1 406 . 1 1 A 33 33 LYS N N 33 118.502 119.612 -1.110 2
1 407 . 1 1 A 34 34 VAL H H 34 7.750 7.618 0.132 2
1 408 . 1 1 A 34 34 VAL HA H 34 4.672 4.301 0.371 2
1 416 . 1 1 A 34 34 VAL C C 34 175.911 175.807 0.104 2
1 417 . 1 1 A 34 34 VAL CA C 34 60.255 62.288 -2.033 2
1 418 . 1 1 A 34 34 VAL CB C 34 32.064 32.721 -0.657 2
1 421 . 1 1 A 34 34 VAL N N 34 120.487 120.813 -0.326 2
1 422 . 1 1 A 35 35 ALA H H 35 9.109 8.913 0.196 2
1 423 . 1 1 A 35 35 ALA HA H 35 4.143 4.284 -0.141 2
1 427 . 1 1 A 35 35 ALA C C 35 177.887 177.733 0.154 2
1 428 . 1 1 A 35 35 ALA CA C 35 54.562 53.934 0.628 2
1 429 . 1 1 A 35 35 ALA CB C 35 18.880 19.569 -0.689 2
1 430 . 1 1 A 35 35 ALA N N 35 129.552 128.155 1.397 2
1 431 . 1 1 A 36 36 ASN H H 36 8.169 7.866 0.303 2
1 432 . 1 1 A 36 36 ASN HA H 36 5.108 5.085 0.024 2
1 437 . 1 1 A 36 36 ASN CA C 36 50.333 50.726 -0.393 2
1 438 . 1 1 A 36 36 ASN CB C 36 35.521 38.523 -3.002 2
1 439 . 1 1 A 36 36 ASN N N 36 112.302 114.862 -2.560 2
1 441 . 1 1 A 37 37 PRO HA H 37 3.891 4.309 -0.418 2
1 448 . 1 1 A 37 37 PRO C C 37 177.715 177.295 0.420 2
1 449 . 1 1 A 37 37 PRO CA C 37 64.104 64.276 -0.172 2
1 450 . 1 1 A 37 37 PRO CB C 37 32.380 31.940 0.440 2
1 453 . 1 1 A 38 38 ASP H H 38 8.843 8.366 0.477 2
1 454 . 1 1 A 38 38 ASP HA H 38 4.350 4.532 -0.182 2
1 457 . 1 1 A 38 38 ASP C C 38 176.942 177.130 -0.188 2
1 458 . 1 1 A 38 38 ASP CA C 38 56.035 55.964 0.071 2
1 459 . 1 1 A 38 38 ASP CB C 38 39.249 40.688 -1.439 2
1 460 . 1 1 A 38 38 ASP N N 38 118.913 117.729 1.184 2
1 461 . 1 1 A 39 39 LEU H H 39 7.548 7.344 0.204 2
1 462 . 1 1 A 39 39 LEU HA H 39 4.268 4.321 -0.053 2
1 472 . 1 1 A 39 39 LEU C C 39 176.727 176.581 0.146 2
1 473 . 1 1 A 39 39 LEU CA C 39 54.091 54.278 -0.187 2
1 474 . 1 1 A 39 39 LEU CB C 39 41.404 41.630 -0.226 2
1 478 . 1 1 A 39 39 LEU N N 39 117.047 116.708 0.339 2
1 479 . 1 1 A 40 40 ILE H H 40 7.047 7.073 -0.026 2
1 480 . 1 1 A 40 40 ILE HA H 40 2.710 3.733 -1.023 2
1 490 . 1 1 A 40 40 ILE C C 40 174.794 175.457 -0.663 2
1 491 . 1 1 A 40 40 ILE CA C 40 64.352 61.285 3.067 2
1 492 . 1 1 A 40 40 ILE CB C 40 37.301 37.152 0.149 2
1 496 . 1 1 A 40 40 ILE N N 40 118.412 121.293 -2.881 2
1 497 . 1 1 A 41 41 LYS H H 41 6.395 8.594 -2.199 2
1 498 . 1 1 A 41 41 LYS HA H 41 4.246 4.854 -0.608 2
1 507 . 1 1 A 41 41 LYS C C 41 174.422 174.860 -0.438 2
1 508 . 1 1 A 41 41 LYS CA C 41 54.521 54.022 0.499 2
1 509 . 1 1 A 41 41 LYS CB C 41 35.426 35.851 -0.425 2
1 513 . 1 1 A 41 41 LYS N N 41 122.843 126.029 -3.186 2
1 514 . 1 1 A 42 42 LYS H H 42 8.788 8.531 0.257 2
1 515 . 1 1 A 42 42 LYS HA H 42 3.603 4.013 -0.410 2
1 524 . 1 1 A 42 42 LYS C C 42 176.169 176.847 -0.678 2
1 525 . 1 1 A 42 42 LYS CA C 42 59.038 57.249 1.789 2
1 526 . 1 1 A 42 42 LYS CB C 42 31.981 32.723 -0.742 2
1 530 . 1 1 A 42 42 LYS N N 42 122.219 122.273 -0.054 2
1 531 . 1 1 A 43 43 ASP H H 43 9.183 9.083 0.100 2
1 532 . 1 1 A 43 43 ASP HA H 43 4.191 4.245 -0.054 2
1 535 . 1 1 A 43 43 ASP C C 43 174.866 174.947 -0.081 2
1 536 . 1 1 A 43 43 ASP CA C 43 57.064 55.514 1.550 2
1 537 . 1 1 A 43 43 ASP CB C 43 38.724 40.220 -1.496 2
1 538 . 1 1 A 43 43 ASP N N 43 119.807 124.240 -4.433 2
1 539 . 1 1 A 44 44 ALA H H 44 7.669 7.491 0.178 2
1 540 . 1 1 A 44 44 ALA HA H 44 4.273 4.514 -0.241 2
1 544 . 1 1 A 44 44 ALA C C 44 176.197 176.717 -0.520 2
1 545 . 1 1 A 44 44 ALA CA C 44 52.503 51.461 1.042 2
1 546 . 1 1 A 44 44 ALA CB C 44 19.511 20.856 -1.345 2
1 547 . 1 1 A 44 44 ALA N N 44 121.785 121.800 -0.015 2
1 548 . 1 1 A 45 45 ALA H H 45 8.522 8.523 -0.001 2
1 549 . 1 1 A 45 45 ALA HA H 45 4.820 5.274 -0.454 2
1 553 . 1 1 A 45 45 ALA C C 45 177.128 176.986 0.142 2
1 554 . 1 1 A 45 45 ALA CA C 45 51.512 50.678 0.834 2
1 555 . 1 1 A 45 45 ALA CB C 45 19.306 21.133 -1.827 2
1 556 . 1 1 A 45 45 ALA N N 45 125.014 122.898 2.116 2
1 557 . 1 1 A 46 46 VAL H H 46 8.358 9.260 -0.902 2
1 558 . 1 1 A 46 46 VAL HA H 46 5.659 5.062 0.597 2
1 566 . 1 1 A 46 46 VAL C C 46 177.199 174.500 2.699 2
1 567 . 1 1 A 46 46 VAL CA C 46 57.919 59.299 -1.380 2
1 568 . 1 1 A 46 46 VAL CB C 46 36.362 35.805 0.557 2
1 571 . 1 1 A 46 46 VAL N N 46 109.774 116.066 -6.292 2
1 572 . 1 1 A 47 47 THR H H 47 8.902 9.192 -0.290 2
1 573 . 1 1 A 47 47 THR HA H 47 5.462 5.332 0.130 2
1 578 . 1 1 A 47 47 THR C C 47 173.405 173.652 -0.247 2
1 579 . 1 1 A 47 47 THR CA C 47 60.139 59.841 0.298 2
1 580 . 1 1 A 47 47 THR CB C 47 71.233 71.215 0.018 2
1 582 . 1 1 A 47 47 THR N N 47 112.758 114.949 -2.191 2
1 583 . 1 1 A 48 48 PHE H H 48 8.423 8.404 0.019 2
1 584 . 1 1 A 48 48 PHE HA H 48 5.099 5.136 -0.037 2
1 591 . 1 1 A 48 48 PHE C C 48 172.231 172.342 -0.111 2
1 592 . 1 1 A 48 48 PHE CA C 48 56.390 55.874 0.516 2
1 593 . 1 1 A 48 48 PHE CB C 48 41.169 41.158 0.011 2
1 596 . 1 1 A 48 48 PHE N N 48 115.866 118.676 -2.810 2
1 597 . 1 1 A 49 49 GLU H H 49 8.622 8.681 -0.059 2
1 598 . 1 1 A 49 49 GLU HA H 49 4.907 4.865 0.042 2
1 603 . 1 1 A 49 49 GLU CA C 49 51.497 53.391 -1.894 2
1 604 . 1 1 A 49 49 GLU CB C 49 28.890 30.667 -1.777 2
1 606 . 1 1 A 49 49 GLU N N 49 117.484 119.901 -2.417 2
1 607 . 1 1 A 50 50 PRO HA H 50 4.829 5.053 -0.224 2
1 614 . 1 1 A 50 50 PRO C C 50 175.925 175.233 0.692 2
1 615 . 1 1 A 50 50 PRO CA C 50 62.593 62.372 0.221 2
1 616 . 1 1 A 50 50 PRO CB C 50 32.917 32.344 0.573 2
1 619 . 1 1 A 51 51 THR H H 51 7.621 8.651 -1.030 2
1 620 . 1 1 A 51 51 THR HA H 51 4.742 4.894 -0.152 2
1 625 . 1 1 A 51 51 THR C C 51 172.074 172.291 -0.217 2
1 626 . 1 1 A 51 51 THR CA C 51 60.558 60.203 0.355 2
1 627 . 1 1 A 51 51 THR CB C 51 68.841 70.640 -1.799 2
1 629 . 1 1 A 51 51 THR N N 51 112.909 116.600 -3.691 2
1 630 . 1 1 A 52 52 THR H H 52 8.367 8.671 -0.304 2
1 631 . 1 1 A 52 52 THR HA H 52 4.975 5.086 -0.111 2
1 636 . 1 1 A 52 52 THR C C 52 173.047 173.505 -0.458 2
1 637 . 1 1 A 52 52 THR CA C 52 60.794 60.662 0.132 2
1 638 . 1 1 A 52 52 THR CB C 52 71.210 71.485 -0.275 2
1 640 . 1 1 A 52 52 THR N N 52 117.260 117.533 -0.273 2
1 641 . 1 1 A 53 53 ASN H H 53 8.827 8.809 0.018 2
1 642 . 1 1 A 53 53 ASN HA H 53 4.756 5.064 -0.308 2
1 647 . 1 1 A 53 53 ASN CA C 53 53.430 52.214 1.216 2
1 648 . 1 1 A 53 53 ASN CB C 53 38.660 40.853 -2.193 2
1 649 . 1 1 A 53 53 ASN N N 53 122.737 122.393 0.344 2
1 651 . 1 1 A 54 54 ASN HA H 54 4.420 4.557 -0.137 2
1 656 . 1 1 A 54 54 ASN C C 54 176.154 176.264 -0.110 2
1 657 . 1 1 A 54 54 ASN CA C 54 55.580 55.663 -0.083 2
1 658 . 1 1 A 54 54 ASN CB C 54 36.917 38.539 -1.622 2
1 660 . 1 1 A 55 55 LYS H H 55 8.190 7.973 0.217 2
1 661 . 1 1 A 55 55 LYS HA H 55 4.225 4.273 -0.048 2
1 670 . 1 1 A 55 55 LYS C C 55 176.154 176.230 -0.076 2
1 671 . 1 1 A 55 55 LYS CA C 55 55.113 56.436 -1.323 2
1 672 . 1 1 A 55 55 LYS CB C 55 31.703 32.906 -1.203 2
1 676 . 1 1 A 55 55 LYS N N 55 117.935 116.868 1.067 2
1 677 . 1 1 A 56 56 GLY H H 56 7.966 7.288 0.678 2
1 678 . 1 1 A 56 56 GLY HA2 H 56 4.496 4.112 0.385 2
1 679 . 1 1 A 56 56 GLY HA3 H 56 3.794 4.124 -0.330 2
1 680 . 1 1 A 56 56 GLY C C 56 173.262 172.096 1.165 2
1 681 . 1 1 A 56 56 GLY CA C 56 44.177 45.218 -1.041 2
1 682 . 1 1 A 56 56 GLY N N 56 108.898 106.405 2.493 2
1 683 . 1 1 A 57 57 LEU H H 57 8.716 8.525 0.191 2
1 684 . 1 1 A 57 57 LEU HA H 57 4.442 4.687 -0.245 2
1 694 . 1 1 A 57 57 LEU C C 57 178.488 175.663 2.825 2
1 695 . 1 1 A 57 57 LEU CA C 57 56.424 54.696 1.728 2
1 696 . 1 1 A 57 57 LEU CB C 57 42.582 42.989 -0.407 2
1 700 . 1 1 A 57 57 LEU N N 57 122.286 123.556 -1.270 2
1 701 . 1 1 A 58 58 SER H H 58 9.033 8.616 0.417 2
1 702 . 1 1 A 58 58 SER HA H 58 5.696 4.953 0.743 2
1 705 . 1 1 A 58 58 SER C C 58 173.820 172.351 1.469 2
1 706 . 1 1 A 58 58 SER CA C 58 56.715 57.176 -0.461 2
1 707 . 1 1 A 58 58 SER CB C 58 65.779 66.906 -1.127 2
1 708 . 1 1 A 58 58 SER N N 58 117.913 116.231 1.682 2
1 709 . 1 1 A 59 59 ALA H H 59 8.775 8.080 0.695 2
1 710 . 1 1 A 59 59 ALA HA H 59 5.409 5.262 0.147 2
1 714 . 1 1 A 59 59 ALA C C 59 174.966 175.290 -0.324 2
1 715 . 1 1 A 59 59 ALA CA C 59 50.783 50.309 0.474 2
1 716 . 1 1 A 59 59 ALA CB C 59 23.985 23.128 0.857 2
1 717 . 1 1 A 59 59 ALA N N 59 125.556 122.349 3.207 2
1 718 . 1 1 A 60 60 TYR H H 60 9.347 8.508 0.839 2
1 719 . 1 1 A 60 60 TYR HA H 60 5.030 5.031 -0.001 2
1 726 . 1 1 A 60 60 TYR C C 60 171.673 174.465 -2.792 2
1 727 . 1 1 A 60 60 TYR CA C 60 55.484 56.379 -0.895 2
1 728 . 1 1 A 60 60 TYR CB C 60 39.502 41.442 -1.940 2
1 731 . 1 1 A 60 60 TYR N N 60 118.946 117.428 1.518 2
1 732 . 1 1 A 61 61 ALA H H 61 9.176 8.624 0.552 2
1 733 . 1 1 A 61 61 ALA HA H 61 4.116 3.929 0.187 2
1 737 . 1 1 A 61 61 ALA C C 61 175.825 176.691 -0.866 2
1 738 . 1 1 A 61 61 ALA CA C 61 52.809 52.945 -0.136 2
1 739 . 1 1 A 61 61 ALA CB C 61 16.597 17.400 -0.803 2
1 740 . 1 1 A 61 61 ALA N N 61 124.113 120.936 3.177 2
1 741 . 1 1 A 62 62 VAL H H 62 7.968 8.056 -0.088 2
1 742 . 1 1 A 62 62 VAL HA H 62 4.300 4.327 -0.027 2
1 750 . 1 1 A 62 62 VAL C C 62 175.395 175.523 -0.128 2
1 751 . 1 1 A 62 62 VAL CA C 62 62.252 62.907 -0.655 2
1 752 . 1 1 A 62 62 VAL CB C 62 31.435 31.662 -0.227 2
1 755 . 1 1 A 62 62 VAL N N 62 116.561 118.361 -1.800 2
1 756 . 1 1 A 63 63 LYS H H 63 9.208 9.207 0.001 2
1 757 . 1 1 A 63 63 LYS HA H 63 4.633 5.020 -0.387 2
1 766 . 1 1 A 63 63 LYS C C 63 175.238 175.609 -0.371 2
1 767 . 1 1 A 63 63 LYS CA C 63 54.729 54.985 -0.256 2
1 768 . 1 1 A 63 63 LYS CB C 63 34.859 34.401 0.458 2
1 772 . 1 1 A 63 63 LYS N N 63 128.892 127.507 1.385 2
1 773 . 1 1 A 64 64 VAL H H 64 9.588 8.970 0.618 2
1 774 . 1 1 A 64 64 VAL HA H 64 4.345 4.221 0.124 2
1 782 . 1 1 A 64 64 VAL C C 64 176.856 175.525 1.331 2
1 783 . 1 1 A 64 64 VAL CA C 64 62.563 62.653 -0.090 2
1 784 . 1 1 A 64 64 VAL CB C 64 30.916 32.137 -1.221 2
1 787 . 1 1 A 64 64 VAL N N 64 126.595 125.581 1.014 2
1 788 . 1 1 A 65 65 VAL H H 65 8.597 8.874 -0.278 2
1 789 . 1 1 A 65 65 VAL HA H 65 4.370 4.580 -0.210 2
1 797 . 1 1 A 65 65 VAL CA C 65 62.480 59.317 3.163 2
1 798 . 1 1 A 65 65 VAL CB C 65 32.436 32.125 0.311 2
1 801 . 1 1 A 65 65 VAL N N 65 127.945 126.866 1.079 2
1 802 . 1 1 A 66 66 PRO HA H 66 4.385 4.692 -0.307 2
1 809 . 1 1 A 66 66 PRO C C 66 176.627 176.924 -0.297 2
1 810 . 1 1 A 66 66 PRO CA C 66 62.511 62.280 0.231 2
1 811 . 1 1 A 66 66 PRO CB C 66 31.875 32.622 -0.747 2
1 814 . 1 1 A 67 67 LEU H H 67 8.236 8.523 -0.287 2
1 815 . 1 1 A 67 67 LEU HA H 67 4.181 4.198 -0.017 2
1 825 . 1 1 A 67 67 LEU C C 67 177.357 176.662 0.695 2
1 826 . 1 1 A 67 67 LEU CA C 67 55.352 55.971 -0.619 2
1 827 . 1 1 A 67 67 LEU CB C 67 42.355 41.751 0.604 2
1 831 . 1 1 A 67 67 LEU N N 67 122.691 119.742 2.949 2
1 832 . 1 1 A 68 68 GLU H H 68 8.432 7.938 0.494 2
1 833 . 1 1 A 68 68 GLU HA H 68 4.184 4.581 -0.397 2
1 838 . 1 1 A 68 68 GLU C C 68 176.054 175.660 0.395 2
1 839 . 1 1 A 68 68 GLU CA C 68 56.250 56.317 -0.067 2
1 840 . 1 1 A 68 68 GLU CB C 68 30.077 31.916 -1.839 2
1 842 . 1 1 A 68 68 GLU N N 68 121.298 119.365 1.933 2
1 843 . 1 1 A 69 69 HIS H H 69 8.303 8.621 -0.318 2
1 844 . 1 1 A 69 69 HIS HA H 69 4.517 4.681 -0.164 2
1 849 . 1 1 A 69 69 HIS C C 69 173.863 174.621 -0.758 2
1 850 . 1 1 A 69 69 HIS CA C 69 55.663 55.971 -0.308 2
1 851 . 1 1 A 69 69 HIS CB C 69 29.904 30.669 -0.765 2
stop_
save_