data_15088_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15088
_Entry.PDB_ID 2JN7
_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 10
_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 3 3 ASN HA H 3 4.740 4.504 0.236 1
1 4 . 1 1 1 A 3 3 ASN CA C 3 52.719 55.753 -3.034 1
1 5 . 1 1 1 A 3 3 ASN CB C 3 38.344 38.640 -0.296 1
1 6 . 1 1 1 A 4 4 THR H H 4 8.142 7.609 0.533 1
1 7 . 1 1 1 A 4 4 THR HA H 4 4.059 5.005 -0.946 1
1 12 . 1 1 1 A 4 4 THR CA C 4 61.542 61.238 0.304 1
1 13 . 1 1 1 A 4 4 THR CB C 4 69.257 71.610 -2.353 1
1 15 . 1 1 1 A 4 4 THR N N 4 116.100 111.137 4.963 1
1 16 . 1 1 1 A 5 5 THR H H 5 7.898 8.530 -0.632 1
1 17 . 1 1 1 A 5 5 THR HA H 5 4.167 4.641 -0.474 1
1 22 . 1 1 1 A 5 5 THR CA C 5 60.219 60.921 -0.702 1
1 23 . 1 1 1 A 5 5 THR CB C 5 69.457 71.481 -2.024 1
1 25 . 1 1 1 A 5 5 THR N N 5 117.796 121.212 -3.416 1
1 26 . 1 1 1 A 6 6 TRP H H 6 8.248 8.733 -0.485 1
1 27 . 1 1 1 A 6 6 TRP HA H 6 4.608 4.187 0.421 1
1 36 . 1 1 1 A 6 6 TRP CA C 6 55.971 60.357 -4.386 1
1 37 . 1 1 1 A 6 6 TRP CB C 6 32.251 29.430 2.821 1
1 43 . 1 1 1 A 6 6 TRP N N 6 123.584 126.252 -2.668 1
1 45 . 1 1 1 A 7 7 GLY H H 7 8.590 8.520 0.070 1
1 46 . 1 1 1 A 7 7 GLY HA2 H 7 4.668 4.225 0.443 1
1 47 . 1 1 1 A 7 7 GLY HA3 H 7 3.904 4.242 -0.338 1
1 48 . 1 1 1 A 7 7 GLY CA C 7 44.451 44.574 -0.123 1
1 49 . 1 1 1 A 7 7 GLY N N 7 103.966 108.155 -4.189 1
1 50 . 1 1 1 A 8 8 LEU H H 8 6.805 8.599 -1.794 1
1 51 . 1 1 1 A 8 8 LEU HA H 8 4.204 4.132 0.072 1
1 60 . 1 1 1 A 8 8 LEU CA C 8 53.799 55.704 -1.905 1
1 61 . 1 1 1 A 8 8 LEU CB C 8 42.762 42.208 0.554 1
1 62 . 1 1 1 A 8 8 LEU N N 8 119.119 121.116 -1.997 1
1 63 . 1 1 1 A 9 9 GLN H H 9 9.078 8.582 0.496 1
1 64 . 1 1 1 A 9 9 GLN HA H 9 4.105 4.441 -0.336 1
1 69 . 1 1 1 A 9 9 GLN CA C 9 55.604 55.562 0.042 1
1 70 . 1 1 1 A 9 9 GLN CB C 9 26.867 28.088 -1.221 1
1 71 . 1 1 1 A 9 9 GLN N N 9 124.351 123.865 0.486 1
1 72 . 1 1 1 A 10 10 ARG H H 10 6.912 8.283 -1.371 1
1 73 . 1 1 1 A 10 10 ARG HA H 10 4.536 5.019 -0.483 1
1 80 . 1 1 1 A 10 10 ARG CA C 10 51.817 54.434 -2.617 1
1 81 . 1 1 1 A 10 10 ARG CB C 10 34.485 33.685 0.800 1
1 83 . 1 1 1 A 10 10 ARG N N 10 125.940 125.947 -0.007 1
1 84 . 1 1 1 A 11 11 ASP H H 11 8.544 8.497 0.047 1
1 85 . 1 1 1 A 11 11 ASP HA H 11 4.633 4.995 -0.362 1
1 88 . 1 1 1 A 11 11 ASP CA C 11 52.853 53.078 -0.225 1
1 89 . 1 1 1 A 11 11 ASP CB C 11 39.641 41.335 -1.694 1
1 90 . 1 1 1 A 11 11 ASP N N 11 121.026 118.199 2.827 1
1 91 . 1 1 1 A 12 12 ILE H H 12 6.828 7.346 -0.518 1
1 92 . 1 1 1 A 12 12 ILE HA H 12 3.890 4.166 -0.276 1
1 102 . 1 1 1 A 12 12 ILE CA C 12 60.042 60.682 -0.640 1
1 103 . 1 1 1 A 12 12 ILE CB C 12 40.957 38.535 2.422 1
1 107 . 1 1 1 A 12 12 ILE N N 12 120.620 121.688 -1.068 1
1 108 . 1 1 1 A 13 13 THR H H 13 7.910 8.803 -0.893 1
1 109 . 1 1 1 A 13 13 THR HA H 13 4.330 4.087 0.243 1
1 114 . 1 1 1 A 13 13 THR CB C 13 70.524 67.343 3.181 1
1 115 . 1 1 1 A 13 13 THR N N 13 118.106 117.952 0.154 1
1 116 . 1 1 1 A 14 14 PRO HA H 14 4.884 4.697 0.187 1
1 122 . 1 1 1 A 14 14 PRO CA C 14 61.777 62.326 -0.549 1
1 123 . 1 1 1 A 14 14 PRO CB C 14 33.621 29.220 4.401 1
1 125 . 1 1 1 A 15 15 ARG H H 15 8.312 8.359 -0.047 1
1 126 . 1 1 1 A 15 15 ARG HA H 15 5.484 4.276 1.208 1
1 131 . 1 1 1 A 15 15 ARG CA C 15 54.493 56.533 -2.040 1
1 132 . 1 1 1 A 15 15 ARG CB C 15 33.621 29.842 3.779 1
1 133 . 1 1 1 A 15 15 ARG N N 15 111.571 120.407 -8.836 1
1 134 . 1 1 1 A 16 16 LEU H H 16 9.729 7.547 2.182 1
1 135 . 1 1 1 A 16 16 LEU HA H 16 5.329 4.988 0.341 1
1 144 . 1 1 1 A 16 16 LEU CA C 16 53.650 53.619 0.031 1
1 145 . 1 1 1 A 16 16 LEU CB C 16 44.521 45.084 -0.563 1
1 148 . 1 1 1 A 16 16 LEU N N 16 125.998 122.791 3.207 1
1 149 . 1 1 1 A 17 17 GLY H H 17 9.504 8.733 0.771 1
1 150 . 1 1 1 A 17 17 GLY HA2 H 17 5.346 4.466 0.880 1
1 151 . 1 1 1 A 17 17 GLY HA3 H 17 4.211 4.472 -0.261 1
1 152 . 1 1 1 A 17 17 GLY CA C 17 43.759 45.018 -1.259 1
1 153 . 1 1 1 A 17 17 GLY N N 17 114.627 113.085 1.542 1
1 154 . 1 1 1 A 18 18 ALA H H 18 7.733 8.271 -0.538 1
1 155 . 1 1 1 A 18 18 ALA HA H 18 5.244 4.898 0.346 1
1 159 . 1 1 1 A 18 18 ALA CA C 18 51.532 51.836 -0.304 1
1 160 . 1 1 1 A 18 18 ALA CB C 18 22.204 18.833 3.371 1
1 161 . 1 1 1 A 18 18 ALA N N 18 119.712 121.992 -2.280 1
1 162 . 1 1 1 A 19 19 ARG H H 19 8.363 8.269 0.094 1
1 163 . 1 1 1 A 19 19 ARG HA H 19 4.632 4.454 0.178 1
1 166 . 1 1 1 A 19 19 ARG CA C 19 54.915 56.273 -1.358 1
1 167 . 1 1 1 A 19 19 ARG CB C 19 31.971 30.488 1.483 1
1 168 . 1 1 1 A 19 19 ARG N N 19 122.423 119.459 2.964 1
1 169 . 1 1 1 A 20 20 LEU H H 20 9.540 8.933 0.607 1
1 170 . 1 1 1 A 20 20 LEU HA H 20 4.703 4.942 -0.239 1
1 179 . 1 1 1 A 20 20 LEU CA C 20 54.103 53.755 0.348 1
1 180 . 1 1 1 A 20 20 LEU CB C 20 42.688 44.112 -1.424 1
1 183 . 1 1 1 A 20 20 LEU N N 20 130.686 125.736 4.950 1
1 184 . 1 1 1 A 21 21 VAL H H 21 8.352 8.834 -0.482 1
1 185 . 1 1 1 A 21 21 VAL HA H 21 4.346 4.861 -0.515 1
1 193 . 1 1 1 A 21 21 VAL CA C 21 61.817 60.240 1.577 1
1 194 . 1 1 1 A 21 21 VAL CB C 21 33.976 33.649 0.327 1
1 197 . 1 1 1 A 21 21 VAL N N 21 120.930 119.093 1.837 1
1 198 . 1 1 1 A 22 22 GLN H H 22 8.319 8.780 -0.461 1
1 199 . 1 1 1 A 22 22 GLN HA H 22 4.646 4.619 0.027 1
1 204 . 1 1 1 A 22 22 GLN CA C 22 54.818 55.505 -0.687 1
1 205 . 1 1 1 A 22 22 GLN CB C 22 29.251 29.662 -0.411 1
1 206 . 1 1 1 A 22 22 GLN N N 22 127.936 124.576 3.360 1
1 207 . 1 1 1 A 23 23 GLU H H 23 8.667 8.662 0.005 1
1 208 . 1 1 1 A 23 23 GLU HA H 23 4.370 4.750 -0.380 1
1 211 . 1 1 1 A 23 23 GLU CA C 23 54.495 55.526 -1.031 1
1 212 . 1 1 1 A 23 23 GLU CB C 23 30.618 31.841 -1.223 1
1 213 . 1 1 1 A 23 23 GLU N N 23 129.097 122.225 6.872 1
1 214 . 1 1 1 A 24 24 GLY H H 24 8.949 9.015 -0.066 1
1 215 . 1 1 1 A 24 24 GLY HA2 H 24 3.879 3.863 0.016 1
1 216 . 1 1 1 A 24 24 GLY HA3 H 24 3.543 3.866 -0.323 1
1 217 . 1 1 1 A 24 24 GLY CA C 24 46.645 46.169 0.476 1
1 218 . 1 1 1 A 24 24 GLY N N 24 117.894 111.792 6.102 1
1 219 . 1 1 1 A 25 25 ASN H H 25 8.747 8.764 -0.017 1
1 220 . 1 1 1 A 25 25 ASN HA H 25 4.700 4.764 -0.064 1
1 223 . 1 1 1 A 25 25 ASN CA C 25 52.331 52.532 -0.201 1
1 224 . 1 1 1 A 25 25 ASN CB C 25 37.827 38.181 -0.354 1
1 225 . 1 1 1 A 25 25 ASN N N 25 124.981 123.743 1.238 1
1 226 . 1 1 1 A 26 26 GLN H H 26 7.811 7.183 0.628 1
1 227 . 1 1 1 A 26 26 GLN HA H 26 4.498 4.920 -0.422 1
1 232 . 1 1 1 A 26 26 GLN CA C 26 53.969 54.699 -0.730 1
1 233 . 1 1 1 A 26 26 GLN CB C 26 31.577 34.722 -3.145 1
1 235 . 1 1 1 A 26 26 GLN N N 26 117.634 118.948 -1.314 1
1 236 . 1 1 1 A 27 27 LEU H H 27 9.306 9.016 0.290 1
1 237 . 1 1 1 A 27 27 LEU HA H 27 4.973 5.032 -0.059 1
1 246 . 1 1 1 A 27 27 LEU CA C 27 52.106 53.282 -1.176 1
1 247 . 1 1 1 A 27 27 LEU CB C 27 44.645 44.049 0.596 1
1 250 . 1 1 1 A 27 27 LEU N N 27 121.896 122.271 -0.375 1
1 251 . 1 1 1 A 28 28 HIS H H 28 8.998 8.923 0.075 1
1 252 . 1 1 1 A 28 28 HIS HA H 28 4.860 4.843 0.017 1
1 255 . 1 1 1 A 28 28 HIS CA C 28 53.461 55.445 -1.984 1
1 256 . 1 1 1 A 28 28 HIS CB C 28 30.884 30.759 0.125 1
1 257 . 1 1 1 A 28 28 HIS N N 28 119.141 124.903 -5.762 1
1 258 . 1 1 1 A 29 29 TYR H H 29 8.811 9.069 -0.258 1
1 259 . 1 1 1 A 29 29 TYR HA H 29 4.571 4.990 -0.419 1
1 266 . 1 1 1 A 29 29 TYR CA C 29 56.308 56.829 -0.521 1
1 267 . 1 1 1 A 29 29 TYR CB C 29 38.935 40.078 -1.143 1
1 272 . 1 1 1 A 29 29 TYR N N 29 124.729 131.541 -6.812 1
1 273 . 1 1 1 A 30 30 LEU H H 30 8.677 8.566 0.111 1
1 274 . 1 1 1 A 30 30 LEU HA H 30 4.275 4.521 -0.246 1
1 283 . 1 1 1 A 30 30 LEU CA C 30 52.463 53.441 -0.978 1
1 284 . 1 1 1 A 30 30 LEU CB C 30 42.668 41.522 1.146 1
1 287 . 1 1 1 A 30 30 LEU N N 30 131.620 128.672 2.948 1
1 288 . 1 1 1 A 31 31 ALA H H 31 8.503 8.704 -0.201 1
1 289 . 1 1 1 A 31 31 ALA HA H 31 3.606 3.675 -0.069 1
1 293 . 1 1 1 A 31 31 ALA CA C 31 54.068 55.159 -1.091 1
1 294 . 1 1 1 A 31 31 ALA CB C 31 17.576 18.183 -0.607 1
1 295 . 1 1 1 A 31 31 ALA N N 31 128.548 127.215 1.333 1
1 296 . 1 1 1 A 32 32 ASP H H 32 8.102 8.016 0.086 1
1 297 . 1 1 1 A 32 32 ASP HA H 32 4.531 4.290 0.241 1
1 300 . 1 1 1 A 32 32 ASP CA C 32 53.266 55.701 -2.435 1
1 301 . 1 1 1 A 32 32 ASP CB C 32 38.572 40.290 -1.718 1
1 302 . 1 1 1 A 32 32 ASP N N 32 111.569 118.961 -7.392 1
1 303 . 1 1 1 A 33 33 ARG H H 33 7.346 7.010 0.336 1
1 304 . 1 1 1 A 33 33 ARG HA H 33 2.688 2.989 -0.301 1
1 309 . 1 1 1 A 33 33 ARG CA C 33 51.257 54.234 -2.977 1
1 310 . 1 1 1 A 33 33 ARG CB C 33 28.426 28.796 -0.370 1
1 311 . 1 1 1 A 33 33 ARG N N 33 122.483 119.196 3.287 1
1 312 . 1 1 1 A 34 34 ALA H H 34 6.661 7.408 -0.747 1
1 313 . 1 1 1 A 34 34 ALA HA H 34 5.275 4.845 0.430 1
1 317 . 1 1 1 A 34 34 ALA CA C 34 50.673 51.501 -0.828 1
1 318 . 1 1 1 A 34 34 ALA CB C 34 23.479 22.809 0.670 1
1 319 . 1 1 1 A 34 34 ALA N N 34 120.854 124.923 -4.069 1
1 320 . 1 1 1 A 35 35 SER H H 35 9.494 8.967 0.527 1
1 321 . 1 1 1 A 35 35 SER HA H 35 4.962 5.380 -0.418 1
1 324 . 1 1 1 A 35 35 SER CA C 35 57.438 57.048 0.390 1
1 325 . 1 1 1 A 35 35 SER CB C 35 66.260 65.817 0.443 1
1 326 . 1 1 1 A 35 35 SER N N 35 114.094 114.408 -0.314 1
1 327 . 1 1 1 A 36 36 ILE H H 36 8.989 9.065 -0.076 1
1 328 . 1 1 1 A 36 36 ILE HA H 36 5.199 5.127 0.072 1
1 338 . 1 1 1 A 36 36 ILE CA C 36 59.982 60.227 -0.245 1
1 339 . 1 1 1 A 36 36 ILE CB C 36 39.235 39.971 -0.736 1
1 343 . 1 1 1 A 36 36 ILE N N 36 125.993 124.769 1.224 1
1 344 . 1 1 1 A 37 37 THR H H 37 9.107 8.749 0.358 1
1 345 . 1 1 1 A 37 37 THR HA H 37 4.478 4.958 -0.480 1
1 350 . 1 1 1 A 37 37 THR CA C 37 62.063 59.705 2.358 1
1 351 . 1 1 1 A 37 37 THR CB C 37 69.419 72.376 -2.957 1
1 352 . 1 1 1 A 37 37 THR N N 37 126.763 120.835 5.928 1
1 353 . 1 1 1 A 38 38 GLY H H 38 8.546 8.588 -0.042 1
1 354 . 1 1 1 A 38 38 GLY HA2 H 38 3.556 3.708 -0.152 1
1 355 . 1 1 1 A 38 38 GLY HA3 H 38 3.968 3.794 0.174 1
1 356 . 1 1 1 A 38 38 GLY CA C 38 43.487 46.826 -3.339 1
1 357 . 1 1 1 A 38 38 GLY N N 38 113.541 115.577 -2.036 1
1 358 . 1 1 1 A 39 39 LYS H H 39 8.131 7.857 0.274 1
1 359 . 1 1 1 A 39 39 LYS HA H 39 4.511 4.784 -0.273 1
1 366 . 1 1 1 A 39 39 LYS CA C 39 54.562 54.833 -0.271 1
1 367 . 1 1 1 A 39 39 LYS CB C 39 34.646 35.636 -0.990 1
1 370 . 1 1 1 A 39 39 LYS N N 39 119.477 117.280 2.197 1
1 371 . 1 1 1 A 40 40 PHE H H 40 8.739 9.088 -0.349 1
1 372 . 1 1 1 A 40 40 PHE HA H 40 4.482 5.070 -0.588 1
1 380 . 1 1 1 A 40 40 PHE CA C 40 58.592 56.727 1.865 1
1 381 . 1 1 1 A 40 40 PHE CB C 40 39.593 41.280 -1.687 1
1 387 . 1 1 1 A 40 40 PHE N N 40 125.875 120.890 4.985 1
1 388 . 1 1 1 A 41 41 SER H H 41 9.825 8.724 1.101 1
1 389 . 1 1 1 A 41 41 SER HA H 41 4.484 4.630 -0.146 1
1 392 . 1 1 1 A 41 41 SER CA C 41 57.383 58.411 -1.028 1
1 393 . 1 1 1 A 41 41 SER CB C 41 64.570 63.955 0.615 1
1 394 . 1 1 1 A 41 41 SER N N 41 120.297 119.035 1.262 1
1 395 . 1 1 1 A 42 42 ASP H H 42 8.944 9.024 -0.080 1
1 396 . 1 1 1 A 42 42 ASP HA H 42 4.493 4.283 0.210 1
1 399 . 1 1 1 A 42 42 ASP CA C 42 57.068 56.920 0.148 1
1 400 . 1 1 1 A 42 42 ASP CB C 42 39.471 40.375 -0.904 1
1 401 . 1 1 1 A 42 42 ASP N N 42 121.339 126.680 -5.341 1
1 402 . 1 1 1 A 43 43 ALA H H 43 8.071 7.815 0.256 1
1 403 . 1 1 1 A 43 43 ALA HA H 43 4.254 4.196 0.058 1
1 407 . 1 1 1 A 43 43 ALA CA C 43 53.245 53.118 0.127 1
1 408 . 1 1 1 A 43 43 ALA CB C 43 18.716 19.201 -0.485 1
1 409 . 1 1 1 A 43 43 ALA N N 43 119.592 120.397 -0.805 1
1 410 . 1 1 1 A 44 44 GLU H H 44 7.860 8.033 -0.173 1
1 411 . 1 1 1 A 44 44 GLU HA H 44 4.164 4.516 -0.352 1
1 414 . 1 1 1 A 44 44 GLU CA C 44 57.748 57.359 0.389 1
1 415 . 1 1 1 A 44 44 GLU CB C 44 30.832 30.725 0.107 1
1 416 . 1 1 1 A 44 44 GLU N N 44 117.391 116.655 0.736 1
1 417 . 1 1 1 A 45 45 CYS H H 45 8.212 8.613 -0.401 1
1 418 . 1 1 1 A 45 45 CYS HA H 45 4.010 4.054 -0.044 1
1 421 . 1 1 1 A 45 45 CYS CA C 45 65.262 63.642 1.620 1
1 422 . 1 1 1 A 45 45 CYS CB C 45 24.356 25.976 -1.620 1
1 423 . 1 1 1 A 45 45 CYS N N 45 117.475 119.825 -2.350 1
1 424 . 1 1 1 A 46 46 PRO HA H 46 4.406 4.272 0.134 1
1 427 . 1 1 1 A 46 46 PRO CA C 46 64.575 66.229 -1.654 1
1 428 . 1 1 1 A 46 46 PRO CB C 46 30.339 30.713 -0.374 1
1 429 . 1 1 1 A 47 47 LYS H H 47 6.825 8.027 -1.202 1
1 430 . 1 1 1 A 47 47 LYS HA H 47 4.032 4.087 -0.055 1
1 437 . 1 1 1 A 47 47 LYS CA C 47 57.897 59.412 -1.515 1
1 438 . 1 1 1 A 47 47 LYS CB C 47 32.303 32.155 0.148 1
1 440 . 1 1 1 A 47 47 LYS N N 47 116.096 119.005 -2.909 1
1 441 . 1 1 1 A 48 48 LEU H H 48 7.980 7.893 0.087 1
1 442 . 1 1 1 A 48 48 LEU HA H 48 3.252 3.960 -0.708 1
1 451 . 1 1 1 A 48 48 LEU CA C 48 57.086 56.879 0.207 1
1 452 . 1 1 1 A 48 48 LEU CB C 48 40.525 42.463 -1.938 1
1 455 . 1 1 1 A 48 48 LEU N N 48 122.611 120.809 1.802 1
1 456 . 1 1 1 A 49 49 ASP H H 49 7.219 8.362 -1.143 1
1 457 . 1 1 1 A 49 49 ASP HA H 49 4.221 4.519 -0.298 1
1 460 . 1 1 1 A 49 49 ASP CA C 49 56.273 57.541 -1.268 1
1 461 . 1 1 1 A 49 49 ASP CB C 49 40.150 40.671 -0.521 1
1 462 . 1 1 1 A 49 49 ASP N N 49 115.153 119.438 -4.285 1
1 463 . 1 1 1 A 50 50 VAL H H 50 7.057 7.853 -0.796 1
1 464 . 1 1 1 A 50 50 VAL HA H 50 3.921 3.904 0.017 1
1 472 . 1 1 1 A 50 50 VAL CA C 50 63.679 64.675 -0.996 1
1 473 . 1 1 1 A 50 50 VAL CB C 50 32.269 31.654 0.615 1
1 476 . 1 1 1 A 50 50 VAL N N 50 115.474 118.347 -2.873 1
1 477 . 1 1 1 A 51 51 VAL H H 51 8.071 7.909 0.162 1
1 478 . 1 1 1 A 51 51 VAL HA H 51 3.805 3.719 0.086 1
1 486 . 1 1 1 A 51 51 VAL CA C 51 63.650 65.874 -2.224 1
1 487 . 1 1 1 A 51 51 VAL CB C 51 31.130 30.756 0.374 1
1 490 . 1 1 1 A 51 51 VAL N N 51 116.526 120.183 -3.657 1
1 491 . 1 1 1 A 52 52 PHE H H 52 8.203 8.039 0.164 1
1 492 . 1 1 1 A 52 52 PHE HA H 52 4.382 4.431 -0.049 1
1 497 . 1 1 1 A 52 52 PHE CA C 52 63.038 61.781 1.257 1
1 498 . 1 1 1 A 52 52 PHE CB C 52 36.263 37.379 -1.116 1
1 501 . 1 1 1 A 52 52 PHE N N 52 121.336 120.378 0.958 1
1 502 . 1 1 1 A 53 53 PRO HA H 53 3.930 4.336 -0.406 1
1 507 . 1 1 1 A 53 53 PRO CA C 53 65.098 66.069 -0.971 1
1 508 . 1 1 1 A 53 53 PRO CB C 53 30.053 31.207 -1.154 1
1 509 . 1 1 1 A 54 54 HIS H H 54 6.741 7.717 -0.976 1
1 510 . 1 1 1 A 54 54 HIS HA H 54 4.041 4.054 -0.013 1
1 513 . 1 1 1 A 54 54 HIS CA C 54 59.100 59.511 -0.411 1
1 514 . 1 1 1 A 54 54 HIS CB C 54 28.478 30.564 -2.086 1
1 515 . 1 1 1 A 54 54 HIS N N 54 116.851 117.482 -0.631 1
1 516 . 1 1 1 A 55 55 PHE H H 55 7.902 7.857 0.045 1
1 517 . 1 1 1 A 55 55 PHE HA H 55 4.230 4.100 0.130 1
1 522 . 1 1 1 A 55 55 PHE CA C 55 59.471 61.799 -2.328 1
1 523 . 1 1 1 A 55 55 PHE CB C 55 37.210 38.470 -1.260 1
1 526 . 1 1 1 A 55 55 PHE N N 55 118.222 116.986 1.236 1
1 527 . 1 1 1 A 56 56 ILE H H 56 7.812 8.107 -0.295 1
1 528 . 1 1 1 A 56 56 ILE HA H 56 3.176 3.625 -0.449 1
1 538 . 1 1 1 A 56 56 ILE CA C 56 64.446 64.737 -0.291 1
1 539 . 1 1 1 A 56 56 ILE CB C 56 35.405 37.367 -1.962 1
1 542 . 1 1 1 A 56 56 ILE N N 56 117.686 120.161 -2.475 1
1 543 . 1 1 1 A 57 57 SER H H 57 7.660 8.526 -0.866 1
1 544 . 1 1 1 A 57 57 SER HA H 57 4.230 4.062 0.168 1
1 547 . 1 1 1 A 57 57 SER CA C 57 60.942 62.203 -1.261 1
1 548 . 1 1 1 A 57 57 SER CB C 57 62.062 62.770 -0.708 1
1 549 . 1 1 1 A 57 57 SER N N 57 113.709 116.067 -2.358 1
1 550 . 1 1 1 A 58 58 GLN H H 58 7.830 7.061 0.769 1
1 551 . 1 1 1 A 58 58 GLN HA H 58 3.934 4.119 -0.185 1
1 554 . 1 1 1 A 58 58 GLN CA C 58 58.232 58.282 -0.050 1
1 555 . 1 1 1 A 58 58 GLN CB C 58 28.502 28.647 -0.145 1
1 556 . 1 1 1 A 58 58 GLN N N 58 121.550 120.666 0.884 1
1 557 . 1 1 1 A 59 59 ILE H H 59 8.482 7.759 0.723 1
1 558 . 1 1 1 A 59 59 ILE HA H 59 3.434 3.578 -0.144 1
1 568 . 1 1 1 A 59 59 ILE CA C 59 65.096 65.700 -0.604 1
1 569 . 1 1 1 A 59 59 ILE CB C 59 36.901 37.828 -0.927 1
1 572 . 1 1 1 A 59 59 ILE N N 59 121.796 120.933 0.863 1
1 573 . 1 1 1 A 60 60 GLU H H 60 8.450 8.266 0.184 1
1 574 . 1 1 1 A 60 60 GLU HA H 60 3.705 4.113 -0.408 1
1 579 . 1 1 1 A 60 60 GLU CA C 60 59.896 59.091 0.805 1
1 580 . 1 1 1 A 60 60 GLU CB C 60 29.133 28.923 0.210 1
1 581 . 1 1 1 A 60 60 GLU N N 60 119.765 120.137 -0.372 1
1 582 . 1 1 1 A 61 61 SER H H 61 7.815 7.817 -0.002 1
1 583 . 1 1 1 A 61 61 SER HA H 61 4.226 4.234 -0.008 1
1 586 . 1 1 1 A 61 61 SER CA C 61 61.382 61.458 -0.076 1
1 587 . 1 1 1 A 61 61 SER N N 61 114.979 117.498 -2.519 1
1 588 . 1 1 1 A 62 62 MET H H 62 7.878 8.426 -0.548 1
1 589 . 1 1 1 A 62 62 MET HA H 62 4.390 4.093 0.297 1
1 595 . 1 1 1 A 62 62 MET CA C 62 58.334 58.730 -0.396 1
1 596 . 1 1 1 A 62 62 MET CB C 62 33.326 32.863 0.463 1
1 597 . 1 1 1 A 62 62 MET N N 62 120.947 119.896 1.051 1
1 598 . 1 1 1 A 63 63 LEU H H 63 8.179 7.541 0.638 1
1 599 . 1 1 1 A 63 63 LEU HA H 63 4.333 3.984 0.349 1
1 609 . 1 1 1 A 63 63 LEU CA C 63 56.920 57.855 -0.935 1
1 610 . 1 1 1 A 63 63 LEU CB C 63 40.871 41.152 -0.281 1
1 613 . 1 1 1 A 63 63 LEU N N 63 121.156 117.081 4.075 1
1 614 . 1 1 1 A 64 64 THR H H 64 7.913 7.386 0.527 1
1 615 . 1 1 1 A 64 64 THR HA H 64 3.980 4.160 -0.180 1
1 620 . 1 1 1 A 64 64 THR CA C 64 65.633 65.673 -0.040 1
1 621 . 1 1 1 A 64 64 THR CB C 64 68.205 69.279 -1.074 1
1 622 . 1 1 1 A 64 64 THR N N 64 116.077 115.257 0.820 1
1 623 . 1 1 1 A 65 65 THR H H 65 8.138 9.175 -1.037 1
1 624 . 1 1 1 A 65 65 THR HA H 65 4.224 3.970 0.254 1
1 629 . 1 1 1 A 65 65 THR CA C 65 62.390 66.788 -4.398 1
1 630 . 1 1 1 A 65 65 THR CB C 65 69.153 67.879 1.274 1
1 632 . 1 1 1 A 65 65 THR N N 65 110.012 115.703 -5.691 1
1 633 . 1 1 1 A 66 66 GLY H H 66 7.529 8.036 -0.507 1
1 634 . 1 1 1 A 66 66 GLY HA2 H 66 4.300 3.935 0.365 1
1 635 . 1 1 1 A 66 66 GLY HA3 H 66 3.771 3.935 -0.164 1
1 636 . 1 1 1 A 66 66 GLY CA C 66 44.829 45.342 -0.513 1
1 637 . 1 1 1 A 66 66 GLY N N 66 108.759 107.769 0.990 1
1 638 . 1 1 1 A 67 67 GLU H H 67 8.480 8.073 0.407 1
1 639 . 1 1 1 A 67 67 GLU HA H 67 3.920 4.049 -0.129 1
1 644 . 1 1 1 A 67 67 GLU CA C 67 59.013 57.145 1.868 1
1 645 . 1 1 1 A 67 67 GLU CB C 67 30.042 28.258 1.784 1
1 647 . 1 1 1 A 67 67 GLU N N 67 123.262 119.321 3.941 1
1 648 . 1 1 1 A 68 68 LEU H H 68 7.137 8.473 -1.336 1
1 649 . 1 1 1 A 68 68 LEU HA H 68 4.545 4.655 -0.110 1
1 659 . 1 1 1 A 68 68 LEU CA C 68 52.955 55.315 -2.360 1
1 660 . 1 1 1 A 68 68 LEU CB C 68 45.377 42.609 2.768 1
1 663 . 1 1 1 A 68 68 LEU N N 68 115.782 128.985 -13.203 1
1 664 . 1 1 1 A 69 69 ASN H H 69 9.102 8.626 0.476 1
1 665 . 1 1 1 A 69 69 ASN HA H 69 5.125 5.091 0.034 1
1 668 . 1 1 1 A 69 69 ASN CA C 69 49.347 50.878 -1.531 1
1 669 . 1 1 1 A 69 69 ASN CB C 69 41.313 38.878 2.435 1
1 670 . 1 1 1 A 69 69 ASN N N 69 121.546 123.337 -1.791 1
1 671 . 1 1 1 A 70 70 PRO HA H 70 4.479 4.450 0.029 1
1 678 . 1 1 1 A 70 70 PRO CA C 70 64.544 63.407 1.137 1
1 679 . 1 1 1 A 70 70 PRO CB C 70 33.813 31.628 2.185 1
1 681 . 1 1 1 A 71 71 ARG H H 71 7.981 8.966 -0.985 1
1 682 . 1 1 1 A 71 71 ARG HA H 71 4.225 4.566 -0.341 1
1 689 . 1 1 1 A 71 71 ARG CA C 71 55.319 57.329 -2.010 1
1 690 . 1 1 1 A 71 71 ARG CB C 71 30.545 33.577 -3.032 1
1 693 . 1 1 1 A 71 71 ARG N N 71 109.539 125.778 -16.239 1
1 694 . 1 1 1 A 72 72 HIS H H 72 7.702 7.778 -0.076 1
1 695 . 1 1 1 A 72 72 HIS HA H 72 4.780 4.792 -0.012 1
1 698 . 1 1 1 A 72 72 HIS CA C 72 53.769 56.311 -2.542 1
1 699 . 1 1 1 A 72 72 HIS CB C 72 32.267 32.266 0.001 1
1 700 . 1 1 1 A 72 72 HIS N N 72 118.028 116.496 1.532 1
1 701 . 1 1 1 A 73 73 ALA H H 73 8.586 7.492 1.094 1
1 702 . 1 1 1 A 73 73 ALA HA H 73 4.130 4.235 -0.105 1
1 706 . 1 1 1 A 73 73 ALA CA C 73 52.426 52.525 -0.099 1
1 707 . 1 1 1 A 73 73 ALA CB C 73 17.699 19.166 -1.467 1
1 708 . 1 1 1 A 73 73 ALA N N 73 127.706 125.099 2.607 1
1 709 . 1 1 1 A 74 74 GLN H H 74 9.530 8.425 1.105 1
1 710 . 1 1 1 A 74 74 GLN HA H 74 4.089 4.701 -0.612 1
1 715 . 1 1 1 A 74 74 GLN CA C 74 57.063 55.529 1.534 1
1 716 . 1 1 1 A 74 74 GLN CB C 74 29.296 31.306 -2.010 1
1 717 . 1 1 1 A 74 74 GLN N N 74 125.174 121.493 3.681 1
1 718 . 1 1 1 A 75 75 CYS H H 75 8.611 8.557 0.054 1
1 719 . 1 1 1 A 75 75 CYS HA H 75 5.175 4.911 0.264 1
1 722 . 1 1 1 A 75 75 CYS CA C 75 57.365 58.037 -0.672 1
1 723 . 1 1 1 A 75 75 CYS CB C 75 27.393 27.429 -0.036 1
1 724 . 1 1 1 A 75 75 CYS N N 75 127.825 126.813 1.012 1
1 725 . 1 1 1 A 76 76 VAL H H 76 9.430 8.557 0.873 1
1 726 . 1 1 1 A 76 76 VAL HA H 76 4.672 4.920 -0.248 1
1 734 . 1 1 1 A 76 76 VAL CA C 76 59.670 60.501 -0.831 1
1 735 . 1 1 1 A 76 76 VAL CB C 76 33.946 35.629 -1.683 1
1 738 . 1 1 1 A 76 76 VAL N N 76 127.195 124.790 2.405 1
1 739 . 1 1 1 A 77 77 THR H H 77 8.203 9.067 -0.864 1
1 740 . 1 1 1 A 77 77 THR HA H 77 4.890 5.301 -0.411 1
1 745 . 1 1 1 A 77 77 THR CA C 77 61.623 60.812 0.811 1
1 746 . 1 1 1 A 77 77 THR CB C 77 69.561 70.451 -0.890 1
1 747 . 1 1 1 A 77 77 THR N N 77 117.773 120.192 -2.419 1
1 748 . 1 1 1 A 78 78 LEU H H 78 9.220 8.781 0.439 1
1 749 . 1 1 1 A 78 78 LEU HA H 78 4.597 5.123 -0.526 1
1 758 . 1 1 1 A 78 78 LEU CA C 78 52.667 53.833 -1.166 1
1 759 . 1 1 1 A 78 78 LEU CB C 78 45.023 44.732 0.291 1
1 762 . 1 1 1 A 78 78 LEU N N 78 127.846 127.810 0.036 1
1 763 . 1 1 1 A 79 79 TYR H H 79 8.739 8.138 0.601 1
1 764 . 1 1 1 A 79 79 TYR HA H 79 5.680 5.718 -0.038 1
1 771 . 1 1 1 A 79 79 TYR CA C 79 55.963 55.582 0.381 1
1 772 . 1 1 1 A 79 79 TYR CB C 79 41.396 41.761 -0.365 1
1 777 . 1 1 1 A 79 79 TYR N N 79 117.451 118.322 -0.871 1
1 778 . 1 1 1 A 80 80 HIS H H 80 9.324 9.179 0.145 1
1 779 . 1 1 1 A 80 80 HIS HA H 80 4.545 4.853 -0.308 1
1 782 . 1 1 1 A 80 80 HIS CA C 80 57.781 54.521 3.260 1
1 783 . 1 1 1 A 80 80 HIS CB C 80 32.894 32.963 -0.069 1
1 784 . 1 1 1 A 80 80 HIS N N 80 121.592 119.397 2.195 1
1 785 . 1 1 1 A 81 81 ASN H H 81 8.619 9.413 -0.794 1
1 786 . 1 1 1 A 81 81 ASN HA H 81 4.091 4.371 -0.280 1
1 789 . 1 1 1 A 81 81 ASN CA C 81 52.908 54.474 -1.566 1
1 790 . 1 1 1 A 81 81 ASN CB C 81 37.384 37.444 -0.060 1
1 791 . 1 1 1 A 81 81 ASN N N 81 125.264 123.403 1.861 1
1 792 . 1 1 1 A 82 82 GLY H H 82 8.336 8.499 -0.163 1
1 793 . 1 1 1 A 82 82 GLY HA2 H 82 4.096 3.619 0.477 1
1 794 . 1 1 1 A 82 82 GLY HA3 H 82 3.595 3.796 -0.201 1
1 795 . 1 1 1 A 82 82 GLY CA C 82 45.132 45.294 -0.162 1
1 796 . 1 1 1 A 82 82 GLY N N 82 102.719 104.506 -1.787 1
1 797 . 1 1 1 A 83 83 PHE H H 83 8.498 7.483 1.015 1
1 798 . 1 1 1 A 83 83 PHE HA H 83 5.049 4.741 0.308 1
1 803 . 1 1 1 A 83 83 PHE CA C 83 57.244 58.166 -0.922 1
1 804 . 1 1 1 A 83 83 PHE CB C 83 42.331 40.979 1.352 1
1 807 . 1 1 1 A 83 83 PHE N N 83 120.461 119.423 1.038 1
1 808 . 1 1 1 A 84 84 THR H H 84 9.387 8.793 0.594 1
1 809 . 1 1 1 A 84 84 THR HA H 84 4.771 5.402 -0.631 1
1 814 . 1 1 1 A 84 84 THR CA C 84 60.323 60.648 -0.325 1
1 815 . 1 1 1 A 84 84 THR CB C 84 71.263 71.329 -0.066 1
1 816 . 1 1 1 A 84 84 THR N N 84 118.901 112.797 6.104 1
1 817 . 1 1 1 A 85 85 CYS H H 85 8.691 9.135 -0.444 1
1 818 . 1 1 1 A 85 85 CYS HA H 85 5.010 5.162 -0.152 1
1 821 . 1 1 1 A 85 85 CYS CA C 85 54.594 56.966 -2.372 1
1 822 . 1 1 1 A 85 85 CYS CB C 85 26.847 29.343 -2.496 1
1 823 . 1 1 1 A 85 85 CYS N N 85 124.244 124.426 -0.182 1
1 824 . 1 1 1 A 86 86 GLU H H 86 9.051 8.442 0.609 1
1 825 . 1 1 1 A 86 86 GLU HA H 86 5.304 5.150 0.154 1
1 830 . 1 1 1 A 86 86 GLU CA C 86 54.424 55.146 -0.722 1
1 831 . 1 1 1 A 86 86 GLU CB C 86 34.037 32.292 1.745 1
1 832 . 1 1 1 A 86 86 GLU N N 86 128.372 123.622 4.750 1
1 833 . 1 1 1 A 87 87 ALA H H 87 8.758 8.458 0.300 1
1 834 . 1 1 1 A 87 87 ALA HA H 87 5.520 5.264 0.256 1
1 838 . 1 1 1 A 87 87 ALA CA C 87 49.578 50.514 -0.936 1
1 839 . 1 1 1 A 87 87 ALA N N 87 122.903 124.221 -1.318 1
1 840 . 1 1 1 A 88 88 ASP H H 88 8.849 8.328 0.521 1
1 841 . 1 1 1 A 88 88 ASP HA H 88 5.146 5.186 -0.040 1
1 844 . 1 1 1 A 88 88 ASP CA C 88 53.299 53.098 0.201 1
1 845 . 1 1 1 A 88 88 ASP CB C 88 46.981 44.763 2.218 1
1 846 . 1 1 1 A 88 88 ASP N N 88 119.653 116.544 3.109 1
1 847 . 1 1 1 A 89 89 THR H H 89 9.780 8.362 1.418 1
1 848 . 1 1 1 A 89 89 THR HA H 89 4.940 4.643 0.297 1
1 853 . 1 1 1 A 89 89 THR CA C 89 63.221 62.294 0.927 1
1 854 . 1 1 1 A 89 89 THR CB C 89 69.269 70.523 -1.254 1
1 856 . 1 1 1 A 89 89 THR N N 89 120.857 113.560 7.297 1
1 857 . 1 1 1 A 90 90 LEU H H 90 10.670 8.299 2.371 1
1 858 . 1 1 1 A 90 90 LEU HA H 90 3.619 3.915 -0.296 1
1 868 . 1 1 1 A 90 90 LEU CA C 90 55.620 56.200 -0.580 1
1 869 . 1 1 1 A 90 90 LEU CB C 90 38.653 40.378 -1.725 1
1 873 . 1 1 1 A 90 90 LEU N N 90 121.028 119.112 1.916 1
1 874 . 1 1 1 A 91 91 GLY H H 91 8.606 8.245 0.361 1
1 875 . 1 1 1 A 91 91 GLY HA2 H 91 3.500 3.857 -0.357 1
1 876 . 1 1 1 A 91 91 GLY HA3 H 91 3.680 3.885 -0.205 1
1 877 . 1 1 1 A 91 91 GLY CA C 91 46.299 45.659 0.640 1
1 878 . 1 1 1 A 91 91 GLY N N 91 107.743 105.801 1.942 1
1 879 . 1 1 1 A 92 92 SER H H 92 8.126 8.530 -0.404 1
1 880 . 1 1 1 A 92 92 SER HA H 92 4.078 4.657 -0.579 1
1 883 . 1 1 1 A 92 92 SER CA C 92 59.779 58.480 1.299 1
1 884 . 1 1 1 A 92 92 SER CB C 92 65.161 64.429 0.732 1
1 885 . 1 1 1 A 92 92 SER N N 92 112.753 116.120 -3.367 1
1 886 . 1 1 1 A 93 93 CYS H H 93 9.001 8.925 0.076 1
1 887 . 1 1 1 A 93 93 CYS HA H 93 3.617 4.620 -1.003 1
1 890 . 1 1 1 A 93 93 CYS CA C 93 59.953 59.222 0.731 1
1 891 . 1 1 1 A 93 93 CYS CB C 93 25.176 27.642 -2.466 1
1 892 . 1 1 1 A 93 93 CYS N N 93 119.159 123.122 -3.963 1
1 893 . 1 1 1 A 94 94 GLY H H 94 8.795 8.676 0.119 1
1 894 . 1 1 1 A 94 94 GLY HA2 H 94 4.063 3.602 0.461 1
1 895 . 1 1 1 A 94 94 GLY HA3 H 94 3.503 3.751 -0.248 1
1 896 . 1 1 1 A 94 94 GLY CA C 94 46.150 46.167 -0.017 1
1 897 . 1 1 1 A 94 94 GLY N N 94 105.924 113.472 -7.548 1
1 898 . 1 1 1 A 95 95 TYR H H 95 8.144 7.917 0.227 1
1 899 . 1 1 1 A 95 95 TYR HA H 95 5.743 4.997 0.746 1
1 906 . 1 1 1 A 95 95 TYR CA C 95 54.818 56.225 -1.407 1
1 907 . 1 1 1 A 95 95 TYR CB C 95 41.503 42.961 -1.458 1
1 912 . 1 1 1 A 95 95 TYR N N 95 118.757 118.707 0.050 1
1 913 . 1 1 1 A 96 96 VAL H H 96 8.280 8.522 -0.242 1
1 914 . 1 1 1 A 96 96 VAL HA H 96 4.082 4.589 -0.507 1
1 922 . 1 1 1 A 96 96 VAL CA C 96 62.593 61.464 1.129 1
1 923 . 1 1 1 A 96 96 VAL CB C 96 34.676 34.275 0.401 1
1 926 . 1 1 1 A 96 96 VAL N N 96 117.579 121.883 -4.304 1
1 927 . 1 1 1 A 97 97 TYR H H 97 9.171 8.658 0.513 1
1 928 . 1 1 1 A 97 97 TYR HA H 97 4.987 5.103 -0.116 1
1 935 . 1 1 1 A 97 97 TYR CA C 97 57.046 57.434 -0.388 1
1 936 . 1 1 1 A 97 97 TYR CB C 97 39.334 39.934 -0.600 1
1 941 . 1 1 1 A 97 97 TYR N N 97 129.228 125.802 3.426 1
1 942 . 1 1 1 A 98 98 ILE H H 98 8.739 9.092 -0.353 1
1 943 . 1 1 1 A 98 98 ILE HA H 98 6.098 5.197 0.901 1
1 953 . 1 1 1 A 98 98 ILE CA C 98 57.878 59.431 -1.553 1
1 954 . 1 1 1 A 98 98 ILE CB C 98 43.028 42.458 0.570 1
1 958 . 1 1 1 A 98 98 ILE N N 98 112.588 118.506 -5.918 1
1 959 . 1 1 1 A 99 99 ALA H H 99 8.867 8.390 0.477 1
1 960 . 1 1 1 A 99 99 ALA HA H 99 5.507 5.177 0.330 1
1 964 . 1 1 1 A 99 99 ALA CA C 99 51.757 51.039 0.718 1
1 965 . 1 1 1 A 99 99 ALA CB C 99 21.801 24.079 -2.278 1
1 966 . 1 1 1 A 99 99 ALA N N 99 124.370 123.945 0.425 1
1 967 . 1 1 1 A 100 100 VAL H H 100 9.706 8.865 0.841 1
1 968 . 1 1 1 A 100 100 VAL HA H 100 5.238 4.984 0.254 1
1 976 . 1 1 1 A 100 100 VAL CA C 100 60.077 59.345 0.732 1
1 977 . 1 1 1 A 100 100 VAL CB C 100 34.166 34.795 -0.629 1
1 980 . 1 1 1 A 100 100 VAL N N 100 122.354 119.166 3.188 1
1 981 . 1 1 1 A 101 101 TYR H H 101 8.833 8.720 0.113 1
1 982 . 1 1 1 A 101 101 TYR HA H 101 5.529 5.154 0.375 1
1 985 . 1 1 1 A 101 101 TYR CA C 101 54.118 55.641 -1.523 1
1 986 . 1 1 1 A 101 101 TYR CB C 101 37.597 39.581 -1.984 1
1 987 . 1 1 1 A 101 101 TYR N N 101 123.413 129.878 -6.465 1
1 988 . 1 1 1 A 102 102 PRO HA H 102 4.198 4.539 -0.341 1
1 993 . 1 1 1 A 102 102 PRO CA C 102 61.976 63.092 -1.116 1
1 994 . 1 1 1 A 102 102 PRO CB C 102 31.325 31.994 -0.669 1
1 996 . 1 1 1 A 103 103 THR H H 103 8.740 8.294 0.446 1
1 997 . 1 1 1 A 103 103 THR HA H 103 3.983 4.457 -0.474 1
1 1002 . 1 1 1 A 103 103 THR CA C 103 64.447 61.211 3.236 1
1 1003 . 1 1 1 A 103 103 THR CB C 103 68.595 69.813 -1.218 1
1 1005 . 1 1 1 A 103 103 THR N N 103 122.463 113.775 8.688 1
1 1006 . 1 1 1 A 104 104 GLN H H 104 8.672 8.853 -0.181 1
1 1007 . 1 1 1 A 104 104 GLN HA H 104 4.309 4.156 0.153 1
1 1010 . 1 1 1 A 104 104 GLN CA C 104 54.989 58.747 -3.758 1
1 1011 . 1 1 1 A 104 104 GLN CB C 104 29.277 28.959 0.318 1
1 1012 . 1 1 1 A 104 104 GLN N N 104 123.452 123.372 0.080 1
1 1 . 2 1 1 A 3 3 ASN HA H 3 4.740 5.036 -0.296 1
1 4 . 2 1 1 A 3 3 ASN CA C 3 52.719 53.213 -0.494 1
1 5 . 2 1 1 A 3 3 ASN CB C 3 38.344 40.773 -2.429 1
1 6 . 2 1 1 A 4 4 THR H H 4 8.142 8.840 -0.698 1
1 7 . 2 1 1 A 4 4 THR HA H 4 4.059 4.630 -0.571 1
1 12 . 2 1 1 A 4 4 THR CA C 4 61.542 61.953 -0.411 1
1 13 . 2 1 1 A 4 4 THR CB C 4 69.257 69.066 0.191 1
1 15 . 2 1 1 A 4 4 THR N N 4 116.100 121.887 -5.787 1
1 16 . 2 1 1 A 5 5 THR H H 5 7.898 8.630 -0.732 1
1 17 . 2 1 1 A 5 5 THR HA H 5 4.167 5.352 -1.185 1
1 22 . 2 1 1 A 5 5 THR CA C 5 60.219 60.338 -0.119 1
1 23 . 2 1 1 A 5 5 THR CB C 5 69.457 71.374 -1.917 1
1 25 . 2 1 1 A 5 5 THR N N 5 117.796 115.674 2.122 1
1 26 . 2 1 1 A 6 6 TRP H H 6 8.248 9.029 -0.781 1
1 27 . 2 1 1 A 6 6 TRP HA H 6 4.608 4.792 -0.184 1
1 36 . 2 1 1 A 6 6 TRP CA C 6 55.971 56.157 -0.186 1
1 37 . 2 1 1 A 6 6 TRP CB C 6 32.251 27.759 4.492 1
1 43 . 2 1 1 A 6 6 TRP N N 6 123.584 126.172 -2.588 1
1 45 . 2 1 1 A 7 7 GLY H H 7 8.590 7.515 1.075 1
1 46 . 2 1 1 A 7 7 GLY HA2 H 7 4.668 4.185 0.483 1
1 47 . 2 1 1 A 7 7 GLY HA3 H 7 3.904 4.236 -0.332 1
1 48 . 2 1 1 A 7 7 GLY CA C 7 44.451 44.749 -0.298 1
1 49 . 2 1 1 A 7 7 GLY N N 7 103.966 107.885 -3.919 1
1 50 . 2 1 1 A 8 8 LEU H H 8 6.805 8.155 -1.350 1
1 51 . 2 1 1 A 8 8 LEU HA H 8 4.204 4.281 -0.077 1
1 60 . 2 1 1 A 8 8 LEU CA C 8 53.799 54.910 -1.111 1
1 61 . 2 1 1 A 8 8 LEU CB C 8 42.762 43.075 -0.313 1
1 62 . 2 1 1 A 8 8 LEU N N 8 119.119 123.293 -4.174 1
1 63 . 2 1 1 A 9 9 GLN H H 9 9.078 8.559 0.519 1
1 64 . 2 1 1 A 9 9 GLN HA H 9 4.105 4.892 -0.787 1
1 69 . 2 1 1 A 9 9 GLN CA C 9 55.604 54.866 0.738 1
1 70 . 2 1 1 A 9 9 GLN CB C 9 26.867 29.795 -2.928 1
1 71 . 2 1 1 A 9 9 GLN N N 9 124.351 125.066 -0.715 1
1 72 . 2 1 1 A 10 10 ARG H H 10 6.912 8.572 -1.660 1
1 73 . 2 1 1 A 10 10 ARG HA H 10 4.536 4.749 -0.213 1
1 80 . 2 1 1 A 10 10 ARG CA C 10 51.817 54.590 -2.773 1
1 81 . 2 1 1 A 10 10 ARG CB C 10 34.485 31.659 2.826 1
1 83 . 2 1 1 A 10 10 ARG N N 10 125.940 123.868 2.072 1
1 84 . 2 1 1 A 11 11 ASP H H 11 8.544 8.714 -0.170 1
1 85 . 2 1 1 A 11 11 ASP HA H 11 4.633 4.277 0.356 1
1 88 . 2 1 1 A 11 11 ASP CA C 11 52.853 57.844 -4.991 1
1 89 . 2 1 1 A 11 11 ASP CB C 11 39.641 41.171 -1.530 1
1 90 . 2 1 1 A 11 11 ASP N N 11 121.026 118.407 2.619 1
1 91 . 2 1 1 A 12 12 ILE H H 12 6.828 7.699 -0.871 1
1 92 . 2 1 1 A 12 12 ILE HA H 12 3.890 4.224 -0.334 1
1 102 . 2 1 1 A 12 12 ILE CA C 12 60.042 61.779 -1.737 1
1 103 . 2 1 1 A 12 12 ILE CB C 12 40.957 37.868 3.089 1
1 107 . 2 1 1 A 12 12 ILE N N 12 120.620 118.120 2.500 1
1 108 . 2 1 1 A 13 13 THR H H 13 7.910 8.747 -0.837 1
1 109 . 2 1 1 A 13 13 THR HA H 13 4.330 4.283 0.047 1
1 114 . 2 1 1 A 13 13 THR CB C 13 70.524 68.900 1.624 1
1 115 . 2 1 1 A 13 13 THR N N 13 118.106 119.648 -1.542 1
1 116 . 2 1 1 A 14 14 PRO HA H 14 4.884 4.838 0.046 1
1 122 . 2 1 1 A 14 14 PRO CA C 14 61.777 62.628 -0.851 1
1 123 . 2 1 1 A 14 14 PRO CB C 14 33.621 32.102 1.519 1
1 125 . 2 1 1 A 15 15 ARG H H 15 8.312 9.030 -0.718 1
1 126 . 2 1 1 A 15 15 ARG HA H 15 5.484 4.862 0.622 1
1 131 . 2 1 1 A 15 15 ARG CA C 15 54.493 55.577 -1.084 1
1 132 . 2 1 1 A 15 15 ARG CB C 15 33.621 33.924 -0.303 1
1 133 . 2 1 1 A 15 15 ARG N N 15 111.571 121.656 -10.085 1
1 134 . 2 1 1 A 16 16 LEU H H 16 9.729 8.730 0.999 1
1 135 . 2 1 1 A 16 16 LEU HA H 16 5.329 5.067 0.262 1
1 144 . 2 1 1 A 16 16 LEU CA C 16 53.650 54.010 -0.360 1
1 145 . 2 1 1 A 16 16 LEU CB C 16 44.521 44.270 0.251 1
1 148 . 2 1 1 A 16 16 LEU N N 16 125.998 124.233 1.765 1
1 149 . 2 1 1 A 17 17 GLY H H 17 9.504 9.059 0.445 1
1 150 . 2 1 1 A 17 17 GLY HA2 H 17 5.346 4.312 1.034 1
1 151 . 2 1 1 A 17 17 GLY HA3 H 17 4.211 4.319 -0.108 1
1 152 . 2 1 1 A 17 17 GLY CA C 17 43.759 44.217 -0.458 1
1 153 . 2 1 1 A 17 17 GLY N N 17 114.627 113.903 0.724 1
1 154 . 2 1 1 A 18 18 ALA H H 18 7.733 8.772 -1.039 1
1 155 . 2 1 1 A 18 18 ALA HA H 18 5.244 4.887 0.357 1
1 159 . 2 1 1 A 18 18 ALA CA C 18 51.532 51.968 -0.436 1
1 160 . 2 1 1 A 18 18 ALA CB C 18 22.204 19.191 3.013 1
1 161 . 2 1 1 A 18 18 ALA N N 18 119.712 123.086 -3.374 1
1 162 . 2 1 1 A 19 19 ARG H H 19 8.363 9.040 -0.677 1
1 163 . 2 1 1 A 19 19 ARG HA H 19 4.632 4.937 -0.305 1
1 166 . 2 1 1 A 19 19 ARG CA C 19 54.915 55.874 -0.959 1
1 167 . 2 1 1 A 19 19 ARG CB C 19 31.971 31.338 0.633 1
1 168 . 2 1 1 A 19 19 ARG N N 19 122.423 125.813 -3.390 1
1 169 . 2 1 1 A 20 20 LEU H H 20 9.540 9.175 0.365 1
1 170 . 2 1 1 A 20 20 LEU HA H 20 4.703 4.788 -0.085 1
1 179 . 2 1 1 A 20 20 LEU CA C 20 54.103 54.183 -0.080 1
1 180 . 2 1 1 A 20 20 LEU CB C 20 42.688 43.053 -0.365 1
1 183 . 2 1 1 A 20 20 LEU N N 20 130.686 129.209 1.477 1
1 184 . 2 1 1 A 21 21 VAL H H 21 8.352 8.959 -0.607 1
1 185 . 2 1 1 A 21 21 VAL HA H 21 4.346 5.007 -0.661 1
1 193 . 2 1 1 A 21 21 VAL CA C 21 61.817 60.127 1.690 1
1 194 . 2 1 1 A 21 21 VAL CB C 21 33.976 33.855 0.121 1
1 197 . 2 1 1 A 21 21 VAL N N 21 120.930 120.071 0.859 1
1 198 . 2 1 1 A 22 22 GLN H H 22 8.319 8.937 -0.618 1
1 199 . 2 1 1 A 22 22 GLN HA H 22 4.646 4.764 -0.118 1
1 204 . 2 1 1 A 22 22 GLN CA C 22 54.818 55.607 -0.789 1
1 205 . 2 1 1 A 22 22 GLN CB C 22 29.251 29.629 -0.378 1
1 206 . 2 1 1 A 22 22 GLN N N 22 127.936 124.363 3.573 1
1 207 . 2 1 1 A 23 23 GLU H H 23 8.667 8.771 -0.104 1
1 208 . 2 1 1 A 23 23 GLU HA H 23 4.370 4.569 -0.199 1
1 211 . 2 1 1 A 23 23 GLU CA C 23 54.495 55.735 -1.240 1
1 212 . 2 1 1 A 23 23 GLU CB C 23 30.618 31.989 -1.371 1
1 213 . 2 1 1 A 23 23 GLU N N 23 129.097 126.239 2.858 1
1 214 . 2 1 1 A 24 24 GLY H H 24 8.949 9.044 -0.095 1
1 215 . 2 1 1 A 24 24 GLY HA2 H 24 3.879 3.940 -0.061 1
1 216 . 2 1 1 A 24 24 GLY HA3 H 24 3.543 3.971 -0.428 1
1 217 . 2 1 1 A 24 24 GLY CA C 24 46.645 45.098 1.547 1
1 218 . 2 1 1 A 24 24 GLY N N 24 117.894 117.124 0.770 1
1 219 . 2 1 1 A 25 25 ASN H H 25 8.747 8.701 0.046 1
1 220 . 2 1 1 A 25 25 ASN HA H 25 4.700 4.798 -0.098 1
1 223 . 2 1 1 A 25 25 ASN CA C 25 52.331 53.237 -0.906 1
1 224 . 2 1 1 A 25 25 ASN CB C 25 37.827 38.994 -1.167 1
1 225 . 2 1 1 A 25 25 ASN N N 25 124.981 122.689 2.292 1
1 226 . 2 1 1 A 26 26 GLN H H 26 7.811 7.714 0.097 1
1 227 . 2 1 1 A 26 26 GLN HA H 26 4.498 4.847 -0.349 1
1 232 . 2 1 1 A 26 26 GLN CA C 26 53.969 54.287 -0.318 1
1 233 . 2 1 1 A 26 26 GLN CB C 26 31.577 33.051 -1.474 1
1 235 . 2 1 1 A 26 26 GLN N N 26 117.634 116.447 1.187 1
1 236 . 2 1 1 A 27 27 LEU H H 27 9.306 9.087 0.219 1
1 237 . 2 1 1 A 27 27 LEU HA H 27 4.973 5.059 -0.086 1
1 246 . 2 1 1 A 27 27 LEU CA C 27 52.106 53.455 -1.349 1
1 247 . 2 1 1 A 27 27 LEU CB C 27 44.645 42.992 1.653 1
1 250 . 2 1 1 A 27 27 LEU N N 27 121.896 123.194 -1.298 1
1 251 . 2 1 1 A 28 28 HIS H H 28 8.998 9.216 -0.218 1
1 252 . 2 1 1 A 28 28 HIS HA H 28 4.860 4.989 -0.129 1
1 255 . 2 1 1 A 28 28 HIS CA C 28 53.461 54.947 -1.486 1
1 256 . 2 1 1 A 28 28 HIS CB C 28 30.884 30.370 0.514 1
1 257 . 2 1 1 A 28 28 HIS N N 28 119.141 123.877 -4.736 1
1 258 . 2 1 1 A 29 29 TYR H H 29 8.811 8.993 -0.182 1
1 259 . 2 1 1 A 29 29 TYR HA H 29 4.571 5.023 -0.452 1
1 266 . 2 1 1 A 29 29 TYR CA C 29 56.308 56.685 -0.377 1
1 267 . 2 1 1 A 29 29 TYR CB C 29 38.935 40.210 -1.275 1
1 272 . 2 1 1 A 29 29 TYR N N 29 124.729 125.228 -0.499 1
1 273 . 2 1 1 A 30 30 LEU H H 30 8.677 8.576 0.101 1
1 274 . 2 1 1 A 30 30 LEU HA H 30 4.275 4.600 -0.325 1
1 283 . 2 1 1 A 30 30 LEU CA C 30 52.463 53.488 -1.025 1
1 284 . 2 1 1 A 30 30 LEU CB C 30 42.668 41.793 0.875 1
1 287 . 2 1 1 A 30 30 LEU N N 30 131.620 128.464 3.156 1
1 288 . 2 1 1 A 31 31 ALA H H 31 8.503 8.789 -0.286 1
1 289 . 2 1 1 A 31 31 ALA HA H 31 3.606 3.774 -0.168 1
1 293 . 2 1 1 A 31 31 ALA CA C 31 54.068 55.186 -1.118 1
1 294 . 2 1 1 A 31 31 ALA CB C 31 17.576 18.314 -0.738 1
1 295 . 2 1 1 A 31 31 ALA N N 31 128.548 127.323 1.225 1
1 296 . 2 1 1 A 32 32 ASP H H 32 8.102 8.081 0.021 1
1 297 . 2 1 1 A 32 32 ASP HA H 32 4.531 4.301 0.230 1
1 300 . 2 1 1 A 32 32 ASP CA C 32 53.266 56.229 -2.963 1
1 301 . 2 1 1 A 32 32 ASP CB C 32 38.572 40.432 -1.860 1
1 302 . 2 1 1 A 32 32 ASP N N 32 111.569 117.859 -6.290 1
1 303 . 2 1 1 A 33 33 ARG H H 33 7.346 7.594 -0.248 1
1 304 . 2 1 1 A 33 33 ARG HA H 33 2.688 3.908 -1.220 1
1 309 . 2 1 1 A 33 33 ARG CA C 33 51.257 54.982 -3.725 1
1 310 . 2 1 1 A 33 33 ARG CB C 33 28.426 29.364 -0.938 1
1 311 . 2 1 1 A 33 33 ARG N N 33 122.483 117.087 5.396 1
1 312 . 2 1 1 A 34 34 ALA H H 34 6.661 7.431 -0.770 1
1 313 . 2 1 1 A 34 34 ALA HA H 34 5.275 4.597 0.678 1
1 317 . 2 1 1 A 34 34 ALA CA C 34 50.673 51.457 -0.784 1
1 318 . 2 1 1 A 34 34 ALA CB C 34 23.479 22.695 0.784 1
1 319 . 2 1 1 A 34 34 ALA N N 34 120.854 120.532 0.322 1
1 320 . 2 1 1 A 35 35 SER H H 35 9.494 8.606 0.888 1
1 321 . 2 1 1 A 35 35 SER HA H 35 4.962 5.126 -0.164 1
1 324 . 2 1 1 A 35 35 SER CA C 35 57.438 57.087 0.351 1
1 325 . 2 1 1 A 35 35 SER CB C 35 66.260 66.440 -0.180 1
1 326 . 2 1 1 A 35 35 SER N N 35 114.094 112.158 1.936 1
1 327 . 2 1 1 A 36 36 ILE H H 36 8.989 8.548 0.441 1
1 328 . 2 1 1 A 36 36 ILE HA H 36 5.199 5.046 0.153 1
1 338 . 2 1 1 A 36 36 ILE CA C 36 59.982 59.405 0.577 1
1 339 . 2 1 1 A 36 36 ILE CB C 36 39.235 39.681 -0.446 1
1 343 . 2 1 1 A 36 36 ILE N N 36 125.993 116.896 9.097 1
1 344 . 2 1 1 A 37 37 THR H H 37 9.107 8.802 0.305 1
1 345 . 2 1 1 A 37 37 THR HA H 37 4.478 4.899 -0.421 1
1 350 . 2 1 1 A 37 37 THR CA C 37 62.063 59.861 2.202 1
1 351 . 2 1 1 A 37 37 THR CB C 37 69.419 71.810 -2.391 1
1 352 . 2 1 1 A 37 37 THR N N 37 126.763 114.005 12.758 1
1 353 . 2 1 1 A 38 38 GLY H H 38 8.546 8.653 -0.107 1
1 354 . 2 1 1 A 38 38 GLY HA2 H 38 3.556 3.670 -0.114 1
1 355 . 2 1 1 A 38 38 GLY HA3 H 38 3.968 3.774 0.194 1
1 356 . 2 1 1 A 38 38 GLY CA C 38 43.487 47.194 -3.707 1
1 357 . 2 1 1 A 38 38 GLY N N 38 113.541 110.740 2.801 1
1 358 . 2 1 1 A 39 39 LYS H H 39 8.131 7.708 0.423 1
1 359 . 2 1 1 A 39 39 LYS HA H 39 4.511 4.729 -0.218 1
1 366 . 2 1 1 A 39 39 LYS CA C 39 54.562 54.699 -0.137 1
1 367 . 2 1 1 A 39 39 LYS CB C 39 34.646 35.715 -1.069 1
1 370 . 2 1 1 A 39 39 LYS N N 39 119.477 118.383 1.094 1
1 371 . 2 1 1 A 40 40 PHE H H 40 8.739 9.282 -0.543 1
1 372 . 2 1 1 A 40 40 PHE HA H 40 4.482 5.045 -0.563 1
1 380 . 2 1 1 A 40 40 PHE CA C 40 58.592 56.721 1.871 1
1 381 . 2 1 1 A 40 40 PHE CB C 40 39.593 41.156 -1.563 1
1 387 . 2 1 1 A 40 40 PHE N N 40 125.875 122.030 3.845 1
1 388 . 2 1 1 A 41 41 SER H H 41 9.825 8.964 0.861 1
1 389 . 2 1 1 A 41 41 SER HA H 41 4.484 4.739 -0.255 1
1 392 . 2 1 1 A 41 41 SER CA C 41 57.383 57.384 -0.001 1
1 393 . 2 1 1 A 41 41 SER CB C 41 64.570 65.090 -0.520 1
1 394 . 2 1 1 A 41 41 SER N N 41 120.297 118.624 1.673 1
1 395 . 2 1 1 A 42 42 ASP H H 42 8.944 8.986 -0.042 1
1 396 . 2 1 1 A 42 42 ASP HA H 42 4.493 4.395 0.098 1
1 399 . 2 1 1 A 42 42 ASP CA C 42 57.068 56.757 0.311 1
1 400 . 2 1 1 A 42 42 ASP CB C 42 39.471 40.380 -0.909 1
1 401 . 2 1 1 A 42 42 ASP N N 42 121.339 121.220 0.119 1
1 402 . 2 1 1 A 43 43 ALA H H 43 8.071 7.740 0.331 1
1 403 . 2 1 1 A 43 43 ALA HA H 43 4.254 4.179 0.075 1
1 407 . 2 1 1 A 43 43 ALA CA C 43 53.245 53.232 0.013 1
1 408 . 2 1 1 A 43 43 ALA CB C 43 18.716 19.048 -0.332 1
1 409 . 2 1 1 A 43 43 ALA N N 43 119.592 121.470 -1.878 1
1 410 . 2 1 1 A 44 44 GLU H H 44 7.860 7.888 -0.028 1
1 411 . 2 1 1 A 44 44 GLU HA H 44 4.164 4.470 -0.306 1
1 414 . 2 1 1 A 44 44 GLU CA C 44 57.748 57.622 0.126 1
1 415 . 2 1 1 A 44 44 GLU CB C 44 30.832 30.753 0.079 1
1 416 . 2 1 1 A 44 44 GLU N N 44 117.391 116.532 0.859 1
1 417 . 2 1 1 A 45 45 CYS H H 45 8.212 8.590 -0.378 1
1 418 . 2 1 1 A 45 45 CYS HA H 45 4.010 4.149 -0.139 1
1 421 . 2 1 1 A 45 45 CYS CA C 45 65.262 63.675 1.587 1
1 422 . 2 1 1 A 45 45 CYS CB C 45 24.356 25.893 -1.537 1
1 423 . 2 1 1 A 45 45 CYS N N 45 117.475 119.803 -2.328 1
1 424 . 2 1 1 A 46 46 PRO HA H 46 4.406 4.248 0.158 1
1 427 . 2 1 1 A 46 46 PRO CA C 46 64.575 66.218 -1.643 1
1 428 . 2 1 1 A 46 46 PRO CB C 46 30.339 30.682 -0.343 1
1 429 . 2 1 1 A 47 47 LYS H H 47 6.825 8.263 -1.438 1
1 430 . 2 1 1 A 47 47 LYS HA H 47 4.032 3.984 0.048 1
1 437 . 2 1 1 A 47 47 LYS CA C 47 57.897 59.352 -1.455 1
1 438 . 2 1 1 A 47 47 LYS CB C 47 32.303 32.069 0.234 1
1 440 . 2 1 1 A 47 47 LYS N N 47 116.096 118.557 -2.461 1
1 441 . 2 1 1 A 48 48 LEU H H 48 7.980 8.456 -0.476 1
1 442 . 2 1 1 A 48 48 LEU HA H 48 3.252 3.757 -0.505 1
1 451 . 2 1 1 A 48 48 LEU CA C 48 57.086 57.904 -0.818 1
1 452 . 2 1 1 A 48 48 LEU CB C 48 40.525 40.916 -0.391 1
1 455 . 2 1 1 A 48 48 LEU N N 48 122.611 119.698 2.913 1
1 456 . 2 1 1 A 49 49 ASP H H 49 7.219 7.978 -0.759 1
1 457 . 2 1 1 A 49 49 ASP HA H 49 4.221 4.458 -0.237 1
1 460 . 2 1 1 A 49 49 ASP CA C 49 56.273 57.226 -0.953 1
1 461 . 2 1 1 A 49 49 ASP CB C 49 40.150 40.704 -0.554 1
1 462 . 2 1 1 A 49 49 ASP N N 49 115.153 120.680 -5.527 1
1 463 . 2 1 1 A 50 50 VAL H H 50 7.057 7.126 -0.069 1
1 464 . 2 1 1 A 50 50 VAL HA H 50 3.921 3.675 0.246 1
1 472 . 2 1 1 A 50 50 VAL CA C 50 63.679 65.556 -1.877 1
1 473 . 2 1 1 A 50 50 VAL CB C 50 32.269 31.025 1.244 1
1 476 . 2 1 1 A 50 50 VAL N N 50 115.474 120.600 -5.126 1
1 477 . 2 1 1 A 51 51 VAL H H 51 8.071 7.673 0.398 1
1 478 . 2 1 1 A 51 51 VAL HA H 51 3.805 2.711 1.094 1
1 486 . 2 1 1 A 51 51 VAL CA C 51 63.650 65.140 -1.490 1
1 487 . 2 1 1 A 51 51 VAL CB C 51 31.130 30.800 0.330 1
1 490 . 2 1 1 A 51 51 VAL N N 51 116.526 120.498 -3.972 1
1 491 . 2 1 1 A 52 52 PHE H H 52 8.203 7.954 0.249 1
1 492 . 2 1 1 A 52 52 PHE HA H 52 4.382 4.376 0.006 1
1 497 . 2 1 1 A 52 52 PHE CA C 52 63.038 61.809 1.229 1
1 498 . 2 1 1 A 52 52 PHE CB C 52 36.263 38.050 -1.787 1
1 501 . 2 1 1 A 52 52 PHE N N 52 121.336 120.068 1.268 1
1 502 . 2 1 1 A 53 53 PRO HA H 53 3.930 4.368 -0.438 1
1 507 . 2 1 1 A 53 53 PRO CA C 53 65.098 65.714 -0.616 1
1 508 . 2 1 1 A 53 53 PRO CB C 53 30.053 31.510 -1.457 1
1 509 . 2 1 1 A 54 54 HIS H H 54 6.741 7.412 -0.671 1
1 510 . 2 1 1 A 54 54 HIS HA H 54 4.041 4.122 -0.081 1
1 513 . 2 1 1 A 54 54 HIS CA C 54 59.100 59.219 -0.119 1
1 514 . 2 1 1 A 54 54 HIS CB C 54 28.478 29.457 -0.979 1
1 515 . 2 1 1 A 54 54 HIS N N 54 116.851 116.224 0.627 1
1 516 . 2 1 1 A 55 55 PHE H H 55 7.902 7.327 0.575 1
1 517 . 2 1 1 A 55 55 PHE HA H 55 4.230 4.150 0.080 1
1 522 . 2 1 1 A 55 55 PHE CA C 55 59.471 61.789 -2.318 1
1 523 . 2 1 1 A 55 55 PHE CB C 55 37.210 38.655 -1.445 1
1 526 . 2 1 1 A 55 55 PHE N N 55 118.222 117.028 1.194 1
1 527 . 2 1 1 A 56 56 ILE H H 56 7.812 7.735 0.077 1
1 528 . 2 1 1 A 56 56 ILE HA H 56 3.176 3.683 -0.507 1
1 538 . 2 1 1 A 56 56 ILE CA C 56 64.446 64.739 -0.293 1
1 539 . 2 1 1 A 56 56 ILE CB C 56 35.405 37.554 -2.149 1
1 542 . 2 1 1 A 56 56 ILE N N 56 117.686 120.247 -2.561 1
1 543 . 2 1 1 A 57 57 SER H H 57 7.660 8.953 -1.293 1
1 544 . 2 1 1 A 57 57 SER HA H 57 4.230 4.160 0.070 1
1 547 . 2 1 1 A 57 57 SER CA C 57 60.942 61.429 -0.487 1
1 548 . 2 1 1 A 57 57 SER CB C 57 62.062 62.184 -0.122 1
1 549 . 2 1 1 A 57 57 SER N N 57 113.709 115.381 -1.672 1
1 550 . 2 1 1 A 58 58 GLN H H 58 7.830 7.162 0.668 1
1 551 . 2 1 1 A 58 58 GLN HA H 58 3.934 4.251 -0.317 1
1 554 . 2 1 1 A 58 58 GLN CA C 58 58.232 58.270 -0.038 1
1 555 . 2 1 1 A 58 58 GLN CB C 58 28.502 28.101 0.401 1
1 556 . 2 1 1 A 58 58 GLN N N 58 121.550 120.778 0.772 1
1 557 . 2 1 1 A 59 59 ILE H H 59 8.482 8.068 0.414 1
1 558 . 2 1 1 A 59 59 ILE HA H 59 3.434 3.676 -0.242 1
1 568 . 2 1 1 A 59 59 ILE CA C 59 65.096 65.592 -0.496 1
1 569 . 2 1 1 A 59 59 ILE CB C 59 36.901 37.688 -0.787 1
1 572 . 2 1 1 A 59 59 ILE N N 59 121.796 121.319 0.477 1
1 573 . 2 1 1 A 60 60 GLU H H 60 8.450 8.019 0.431 1
1 574 . 2 1 1 A 60 60 GLU HA H 60 3.705 3.933 -0.228 1
1 579 . 2 1 1 A 60 60 GLU CA C 60 59.896 59.750 0.146 1
1 580 . 2 1 1 A 60 60 GLU CB C 60 29.133 29.159 -0.026 1
1 581 . 2 1 1 A 60 60 GLU N N 60 119.765 119.931 -0.166 1
1 582 . 2 1 1 A 61 61 SER H H 61 7.815 8.150 -0.335 1
1 583 . 2 1 1 A 61 61 SER HA H 61 4.226 4.142 0.084 1
1 586 . 2 1 1 A 61 61 SER CA C 61 61.382 62.450 -1.068 1
1 587 . 2 1 1 A 61 61 SER N N 61 114.979 116.497 -1.518 1
1 588 . 2 1 1 A 62 62 MET H H 62 7.878 8.083 -0.205 1
1 589 . 2 1 1 A 62 62 MET HA H 62 4.390 4.137 0.253 1
1 595 . 2 1 1 A 62 62 MET CA C 62 58.334 58.628 -0.294 1
1 596 . 2 1 1 A 62 62 MET CB C 62 33.326 33.053 0.273 1
1 597 . 2 1 1 A 62 62 MET N N 62 120.947 119.649 1.298 1
1 598 . 2 1 1 A 63 63 LEU H H 63 8.179 7.916 0.263 1
1 599 . 2 1 1 A 63 63 LEU HA H 63 4.333 4.000 0.333 1
1 609 . 2 1 1 A 63 63 LEU CA C 63 56.920 57.738 -0.818 1
1 610 . 2 1 1 A 63 63 LEU CB C 63 40.871 41.471 -0.600 1
1 613 . 2 1 1 A 63 63 LEU N N 63 121.156 119.801 1.355 1
1 614 . 2 1 1 A 64 64 THR H H 64 7.913 7.706 0.207 1
1 615 . 2 1 1 A 64 64 THR HA H 64 3.980 4.063 -0.083 1
1 620 . 2 1 1 A 64 64 THR CA C 64 65.633 65.951 -0.318 1
1 621 . 2 1 1 A 64 64 THR CB C 64 68.205 69.228 -1.023 1
1 622 . 2 1 1 A 64 64 THR N N 64 116.077 114.909 1.168 1
1 623 . 2 1 1 A 65 65 THR H H 65 8.138 8.254 -0.116 1
1 624 . 2 1 1 A 65 65 THR HA H 65 4.224 4.063 0.161 1
1 629 . 2 1 1 A 65 65 THR CA C 65 62.390 65.509 -3.119 1
1 630 . 2 1 1 A 65 65 THR CB C 65 69.153 69.123 0.030 1
1 632 . 2 1 1 A 65 65 THR N N 65 110.012 114.201 -4.189 1
1 633 . 2 1 1 A 66 66 GLY H H 66 7.529 8.204 -0.675 1
1 634 . 2 1 1 A 66 66 GLY HA2 H 66 4.300 3.951 0.349 1
1 635 . 2 1 1 A 66 66 GLY HA3 H 66 3.771 3.953 -0.182 1
1 636 . 2 1 1 A 66 66 GLY CA C 66 44.829 45.979 -1.150 1
1 637 . 2 1 1 A 66 66 GLY N N 66 108.759 107.195 1.564 1
1 638 . 2 1 1 A 67 67 GLU H H 67 8.480 8.261 0.219 1
1 639 . 2 1 1 A 67 67 GLU HA H 67 3.920 4.053 -0.133 1
1 644 . 2 1 1 A 67 67 GLU CA C 67 59.013 57.198 1.815 1
1 645 . 2 1 1 A 67 67 GLU CB C 67 30.042 28.132 1.910 1
1 647 . 2 1 1 A 67 67 GLU N N 67 123.262 119.552 3.710 1
1 648 . 2 1 1 A 68 68 LEU H H 68 7.137 8.135 -0.998 1
1 649 . 2 1 1 A 68 68 LEU HA H 68 4.545 4.562 -0.017 1
1 659 . 2 1 1 A 68 68 LEU CA C 68 52.955 55.065 -2.110 1
1 660 . 2 1 1 A 68 68 LEU CB C 68 45.377 42.926 2.451 1
1 663 . 2 1 1 A 68 68 LEU N N 68 115.782 127.025 -11.243 1
1 664 . 2 1 1 A 69 69 ASN H H 69 9.102 9.014 0.088 1
1 665 . 2 1 1 A 69 69 ASN HA H 69 5.125 5.416 -0.291 1
1 668 . 2 1 1 A 69 69 ASN CA C 69 49.347 50.635 -1.288 1
1 669 . 2 1 1 A 69 69 ASN CB C 69 41.313 38.705 2.608 1
1 670 . 2 1 1 A 69 69 ASN N N 69 121.546 123.983 -2.437 1
1 671 . 2 1 1 A 70 70 PRO HA H 70 4.479 4.400 0.079 1
1 678 . 2 1 1 A 70 70 PRO CA C 70 64.544 63.445 1.099 1
1 679 . 2 1 1 A 70 70 PRO CB C 70 33.813 31.814 1.999 1
1 681 . 2 1 1 A 71 71 ARG H H 71 7.981 8.662 -0.681 1
1 682 . 2 1 1 A 71 71 ARG HA H 71 4.225 4.613 -0.388 1
1 689 . 2 1 1 A 71 71 ARG CA C 71 55.319 56.550 -1.231 1
1 690 . 2 1 1 A 71 71 ARG CB C 71 30.545 33.582 -3.037 1
1 693 . 2 1 1 A 71 71 ARG N N 71 109.539 126.032 -16.493 1
1 694 . 2 1 1 A 72 72 HIS H H 72 7.702 7.714 -0.012 1
1 695 . 2 1 1 A 72 72 HIS HA H 72 4.780 4.867 -0.087 1
1 698 . 2 1 1 A 72 72 HIS CA C 72 53.769 56.080 -2.311 1
1 699 . 2 1 1 A 72 72 HIS CB C 72 32.267 32.866 -0.599 1
1 700 . 2 1 1 A 72 72 HIS N N 72 118.028 116.944 1.084 1
1 701 . 2 1 1 A 73 73 ALA H H 73 8.586 7.811 0.775 1
1 702 . 2 1 1 A 73 73 ALA HA H 73 4.130 4.087 0.043 1
1 706 . 2 1 1 A 73 73 ALA CA C 73 52.426 52.716 -0.290 1
1 707 . 2 1 1 A 73 73 ALA CB C 73 17.699 18.858 -1.159 1
1 708 . 2 1 1 A 73 73 ALA N N 73 127.706 125.882 1.824 1
1 709 . 2 1 1 A 74 74 GLN H H 74 9.530 8.342 1.188 1
1 710 . 2 1 1 A 74 74 GLN HA H 74 4.089 4.598 -0.509 1
1 715 . 2 1 1 A 74 74 GLN CA C 74 57.063 55.889 1.174 1
1 716 . 2 1 1 A 74 74 GLN CB C 74 29.296 31.112 -1.816 1
1 717 . 2 1 1 A 74 74 GLN N N 74 125.174 121.202 3.972 1
1 718 . 2 1 1 A 75 75 CYS H H 75 8.611 8.632 -0.021 1
1 719 . 2 1 1 A 75 75 CYS HA H 75 5.175 5.040 0.135 1
1 722 . 2 1 1 A 75 75 CYS CA C 75 57.365 58.020 -0.655 1
1 723 . 2 1 1 A 75 75 CYS CB C 75 27.393 28.462 -1.069 1
1 724 . 2 1 1 A 75 75 CYS N N 75 127.825 126.435 1.390 1
1 725 . 2 1 1 A 76 76 VAL H H 76 9.430 8.271 1.159 1
1 726 . 2 1 1 A 76 76 VAL HA H 76 4.672 4.761 -0.089 1
1 734 . 2 1 1 A 76 76 VAL CA C 76 59.670 59.949 -0.279 1
1 735 . 2 1 1 A 76 76 VAL CB C 76 33.946 35.782 -1.836 1
1 738 . 2 1 1 A 76 76 VAL N N 76 127.195 121.100 6.095 1
1 739 . 2 1 1 A 77 77 THR H H 77 8.203 8.871 -0.668 1
1 740 . 2 1 1 A 77 77 THR HA H 77 4.890 5.232 -0.342 1
1 745 . 2 1 1 A 77 77 THR CA C 77 61.623 60.679 0.944 1
1 746 . 2 1 1 A 77 77 THR CB C 77 69.561 70.783 -1.222 1
1 747 . 2 1 1 A 77 77 THR N N 77 117.773 118.830 -1.057 1
1 748 . 2 1 1 A 78 78 LEU H H 78 9.220 9.177 0.043 1
1 749 . 2 1 1 A 78 78 LEU HA H 78 4.597 4.496 0.101 1
1 758 . 2 1 1 A 78 78 LEU CA C 78 52.667 54.523 -1.856 1
1 759 . 2 1 1 A 78 78 LEU CB C 78 45.023 42.817 2.206 1
1 762 . 2 1 1 A 78 78 LEU N N 78 127.846 128.144 -0.298 1
1 763 . 2 1 1 A 79 79 TYR H H 79 8.739 8.597 0.142 1
1 764 . 2 1 1 A 79 79 TYR HA H 79 5.680 5.126 0.554 1
1 771 . 2 1 1 A 79 79 TYR CA C 79 55.963 56.620 -0.657 1
1 772 . 2 1 1 A 79 79 TYR CB C 79 41.396 42.145 -0.749 1
1 777 . 2 1 1 A 79 79 TYR N N 79 117.451 125.076 -7.625 1
1 778 . 2 1 1 A 80 80 HIS H H 80 9.324 8.152 1.172 1
1 779 . 2 1 1 A 80 80 HIS HA H 80 4.545 4.787 -0.242 1
1 782 . 2 1 1 A 80 80 HIS CA C 80 57.781 55.004 2.777 1
1 783 . 2 1 1 A 80 80 HIS CB C 80 32.894 31.663 1.231 1
1 784 . 2 1 1 A 80 80 HIS N N 80 121.592 120.856 0.736 1
1 785 . 2 1 1 A 81 81 ASN H H 81 8.619 9.502 -0.883 1
1 786 . 2 1 1 A 81 81 ASN HA H 81 4.091 4.280 -0.189 1
1 789 . 2 1 1 A 81 81 ASN CA C 81 52.908 53.990 -1.082 1
1 790 . 2 1 1 A 81 81 ASN CB C 81 37.384 37.473 -0.089 1
1 791 . 2 1 1 A 81 81 ASN N N 81 125.264 117.855 7.409 1
1 792 . 2 1 1 A 82 82 GLY H H 82 8.336 8.234 0.102 1
1 793 . 2 1 1 A 82 82 GLY HA2 H 82 4.096 3.497 0.599 1
1 794 . 2 1 1 A 82 82 GLY HA3 H 82 3.595 3.603 -0.008 1
1 795 . 2 1 1 A 82 82 GLY CA C 82 45.132 45.090 0.042 1
1 796 . 2 1 1 A 82 82 GLY N N 82 102.719 103.810 -1.091 1
1 797 . 2 1 1 A 83 83 PHE H H 83 8.498 7.292 1.206 1
1 798 . 2 1 1 A 83 83 PHE HA H 83 5.049 4.602 0.447 1
1 803 . 2 1 1 A 83 83 PHE CA C 83 57.244 58.201 -0.957 1
1 804 . 2 1 1 A 83 83 PHE CB C 83 42.331 40.547 1.784 1
1 807 . 2 1 1 A 83 83 PHE N N 83 120.461 119.178 1.283 1
1 808 . 2 1 1 A 84 84 THR H H 84 9.387 8.821 0.566 1
1 809 . 2 1 1 A 84 84 THR HA H 84 4.771 4.956 -0.185 1
1 814 . 2 1 1 A 84 84 THR CA C 84 60.323 60.648 -0.325 1
1 815 . 2 1 1 A 84 84 THR CB C 84 71.263 72.059 -0.796 1
1 816 . 2 1 1 A 84 84 THR N N 84 118.901 114.519 4.382 1
1 817 . 2 1 1 A 85 85 CYS H H 85 8.691 8.944 -0.253 1
1 818 . 2 1 1 A 85 85 CYS HA H 85 5.010 5.161 -0.151 1
1 821 . 2 1 1 A 85 85 CYS CA C 85 54.594 56.930 -2.336 1
1 822 . 2 1 1 A 85 85 CYS CB C 85 26.847 29.160 -2.313 1
1 823 . 2 1 1 A 85 85 CYS N N 85 124.244 125.794 -1.550 1
1 824 . 2 1 1 A 86 86 GLU H H 86 9.051 8.540 0.511 1
1 825 . 2 1 1 A 86 86 GLU HA H 86 5.304 5.128 0.176 1
1 830 . 2 1 1 A 86 86 GLU CA C 86 54.424 55.003 -0.579 1
1 831 . 2 1 1 A 86 86 GLU CB C 86 34.037 32.503 1.534 1
1 832 . 2 1 1 A 86 86 GLU N N 86 128.372 123.325 5.047 1
1 833 . 2 1 1 A 87 87 ALA H H 87 8.758 8.289 0.469 1
1 834 . 2 1 1 A 87 87 ALA HA H 87 5.520 5.146 0.374 1
1 838 . 2 1 1 A 87 87 ALA CA C 87 49.578 50.880 -1.302 1
1 839 . 2 1 1 A 87 87 ALA N N 87 122.903 123.542 -0.639 1
1 840 . 2 1 1 A 88 88 ASP H H 88 8.849 8.444 0.405 1
1 841 . 2 1 1 A 88 88 ASP HA H 88 5.146 5.085 0.061 1
1 844 . 2 1 1 A 88 88 ASP CA C 88 53.299 52.904 0.395 1
1 845 . 2 1 1 A 88 88 ASP CB C 88 46.981 44.863 2.118 1
1 846 . 2 1 1 A 88 88 ASP N N 88 119.653 118.587 1.066 1
1 847 . 2 1 1 A 89 89 THR H H 89 9.780 8.701 1.079 1
1 848 . 2 1 1 A 89 89 THR HA H 89 4.940 4.154 0.786 1
1 853 . 2 1 1 A 89 89 THR CA C 89 63.221 63.334 -0.113 1
1 854 . 2 1 1 A 89 89 THR CB C 89 69.269 69.789 -0.520 1
1 856 . 2 1 1 A 89 89 THR N N 89 120.857 116.077 4.780 1
1 857 . 2 1 1 A 90 90 LEU H H 90 10.670 8.087 2.583 1
1 858 . 2 1 1 A 90 90 LEU HA H 90 3.619 3.993 -0.374 1
1 868 . 2 1 1 A 90 90 LEU CA C 90 55.620 55.948 -0.328 1
1 869 . 2 1 1 A 90 90 LEU CB C 90 38.653 39.763 -1.110 1
1 873 . 2 1 1 A 90 90 LEU N N 90 121.028 121.091 -0.063 1
1 874 . 2 1 1 A 91 91 GLY H H 91 8.606 8.383 0.223 1
1 875 . 2 1 1 A 91 91 GLY HA2 H 91 3.500 3.862 -0.362 1
1 876 . 2 1 1 A 91 91 GLY HA3 H 91 3.680 3.866 -0.186 1
1 877 . 2 1 1 A 91 91 GLY CA C 91 46.299 45.798 0.501 1
1 878 . 2 1 1 A 91 91 GLY N N 91 107.743 109.404 -1.661 1
1 879 . 2 1 1 A 92 92 SER H H 92 8.126 9.204 -1.078 1
1 880 . 2 1 1 A 92 92 SER HA H 92 4.078 4.173 -0.095 1
1 883 . 2 1 1 A 92 92 SER CA C 92 59.779 61.352 -1.573 1
1 884 . 2 1 1 A 92 92 SER CB C 92 65.161 62.984 2.177 1
1 885 . 2 1 1 A 92 92 SER N N 92 112.753 116.972 -4.219 1
1 886 . 2 1 1 A 93 93 CYS H H 93 9.001 8.114 0.887 1
1 887 . 2 1 1 A 93 93 CYS HA H 93 3.617 4.185 -0.568 1
1 890 . 2 1 1 A 93 93 CYS CA C 93 59.953 59.932 0.021 1
1 891 . 2 1 1 A 93 93 CYS CB C 93 25.176 25.595 -0.419 1
1 892 . 2 1 1 A 93 93 CYS N N 93 119.159 119.795 -0.636 1
1 893 . 2 1 1 A 94 94 GLY H H 94 8.795 7.944 0.851 1
1 894 . 2 1 1 A 94 94 GLY HA2 H 94 4.063 3.859 0.204 1
1 895 . 2 1 1 A 94 94 GLY HA3 H 94 3.503 3.904 -0.401 1
1 896 . 2 1 1 A 94 94 GLY CA C 94 46.150 45.386 0.764 1
1 897 . 2 1 1 A 94 94 GLY N N 94 105.924 107.827 -1.903 1
1 898 . 2 1 1 A 95 95 TYR H H 95 8.144 8.433 -0.289 1
1 899 . 2 1 1 A 95 95 TYR HA H 95 5.743 5.058 0.685 1
1 906 . 2 1 1 A 95 95 TYR CA C 95 54.818 57.503 -2.685 1
1 907 . 2 1 1 A 95 95 TYR CB C 95 41.503 41.523 -0.020 1
1 912 . 2 1 1 A 95 95 TYR N N 95 118.757 120.241 -1.484 1
1 913 . 2 1 1 A 96 96 VAL H H 96 8.280 9.009 -0.729 1
1 914 . 2 1 1 A 96 96 VAL HA H 96 4.082 4.957 -0.875 1
1 922 . 2 1 1 A 96 96 VAL CA C 96 62.593 60.144 2.449 1
1 923 . 2 1 1 A 96 96 VAL CB C 96 34.676 36.050 -1.374 1
1 926 . 2 1 1 A 96 96 VAL N N 96 117.579 117.232 0.347 1
1 927 . 2 1 1 A 97 97 TYR H H 97 9.171 8.508 0.663 1
1 928 . 2 1 1 A 97 97 TYR HA H 97 4.987 5.734 -0.747 1
1 935 . 2 1 1 A 97 97 TYR CA C 97 57.046 55.614 1.432 1
1 936 . 2 1 1 A 97 97 TYR CB C 97 39.334 42.423 -3.089 1
1 941 . 2 1 1 A 97 97 TYR N N 97 129.228 119.688 9.540 1
1 942 . 2 1 1 A 98 98 ILE H H 98 8.739 8.503 0.236 1
1 943 . 2 1 1 A 98 98 ILE HA H 98 6.098 5.240 0.858 1
1 953 . 2 1 1 A 98 98 ILE CA C 98 57.878 59.411 -1.533 1
1 954 . 2 1 1 A 98 98 ILE CB C 98 43.028 42.683 0.345 1
1 958 . 2 1 1 A 98 98 ILE N N 98 112.588 118.039 -5.451 1
1 959 . 2 1 1 A 99 99 ALA H H 99 8.867 8.272 0.595 1
1 960 . 2 1 1 A 99 99 ALA HA H 99 5.507 5.186 0.321 1
1 964 . 2 1 1 A 99 99 ALA CA C 99 51.757 50.988 0.769 1
1 965 . 2 1 1 A 99 99 ALA CB C 99 21.801 23.906 -2.105 1
1 966 . 2 1 1 A 99 99 ALA N N 99 124.370 123.382 0.988 1
1 967 . 2 1 1 A 100 100 VAL H H 100 9.706 8.845 0.861 1
1 968 . 2 1 1 A 100 100 VAL HA H 100 5.238 4.917 0.321 1
1 976 . 2 1 1 A 100 100 VAL CA C 100 60.077 59.286 0.791 1
1 977 . 2 1 1 A 100 100 VAL CB C 100 34.166 34.721 -0.555 1
1 980 . 2 1 1 A 100 100 VAL N N 100 122.354 119.209 3.145 1
1 981 . 2 1 1 A 101 101 TYR H H 101 8.833 8.656 0.177 1
1 982 . 2 1 1 A 101 101 TYR HA H 101 5.529 5.117 0.412 1
1 985 . 2 1 1 A 101 101 TYR CA C 101 54.118 55.762 -1.644 1
1 986 . 2 1 1 A 101 101 TYR CB C 101 37.597 39.773 -2.176 1
1 987 . 2 1 1 A 101 101 TYR N N 101 123.413 130.022 -6.609 1
1 988 . 2 1 1 A 102 102 PRO HA H 102 4.198 4.525 -0.327 1
1 993 . 2 1 1 A 102 102 PRO CA C 102 61.976 63.116 -1.140 1
1 994 . 2 1 1 A 102 102 PRO CB C 102 31.325 31.946 -0.621 1
1 996 . 2 1 1 A 103 103 THR H H 103 8.740 8.323 0.417 1
1 997 . 2 1 1 A 103 103 THR HA H 103 3.983 4.594 -0.611 1
1 1002 . 2 1 1 A 103 103 THR CA C 103 64.447 60.907 3.540 1
1 1003 . 2 1 1 A 103 103 THR CB C 103 68.595 70.096 -1.501 1
1 1005 . 2 1 1 A 103 103 THR N N 103 122.463 113.825 8.638 1
1 1006 . 2 1 1 A 104 104 GLN H H 104 8.672 9.116 -0.444 1
1 1007 . 2 1 1 A 104 104 GLN HA H 104 4.309 4.168 0.141 1
1 1010 . 2 1 1 A 104 104 GLN CA C 104 54.989 59.206 -4.217 1
1 1011 . 2 1 1 A 104 104 GLN CB C 104 29.277 28.905 0.372 1
1 1012 . 2 1 1 A 104 104 GLN N N 104 123.452 122.715 0.737 1
1 1 . 3 1 1 A 3 3 ASN HA H 3 4.740 4.528 0.212 1
1 4 . 3 1 1 A 3 3 ASN CA C 3 52.719 55.595 -2.876 1
1 5 . 3 1 1 A 3 3 ASN CB C 3 38.344 38.084 0.260 1
1 6 . 3 1 1 A 4 4 THR H H 4 8.142 7.839 0.303 1
1 7 . 3 1 1 A 4 4 THR HA H 4 4.059 4.681 -0.622 1
1 12 . 3 1 1 A 4 4 THR CA C 4 61.542 60.102 1.440 1
1 13 . 3 1 1 A 4 4 THR CB C 4 69.257 71.859 -2.602 1
1 15 . 3 1 1 A 4 4 THR N N 4 116.100 111.913 4.187 1
1 16 . 3 1 1 A 5 5 THR H H 5 7.898 8.552 -0.654 1
1 17 . 3 1 1 A 5 5 THR HA H 5 4.167 4.839 -0.672 1
1 22 . 3 1 1 A 5 5 THR CA C 5 60.219 59.967 0.252 1
1 23 . 3 1 1 A 5 5 THR CB C 5 69.457 71.843 -2.386 1
1 25 . 3 1 1 A 5 5 THR N N 5 117.796 120.539 -2.743 1
1 26 . 3 1 1 A 6 6 TRP H H 6 8.248 8.325 -0.077 1
1 27 . 3 1 1 A 6 6 TRP HA H 6 4.608 4.249 0.359 1
1 36 . 3 1 1 A 6 6 TRP CA C 6 55.971 58.685 -2.714 1
1 37 . 3 1 1 A 6 6 TRP CB C 6 32.251 29.238 3.013 1
1 43 . 3 1 1 A 6 6 TRP N N 6 123.584 128.338 -4.754 1
1 45 . 3 1 1 A 7 7 GLY H H 7 8.590 8.603 -0.013 1
1 46 . 3 1 1 A 7 7 GLY HA2 H 7 4.668 4.141 0.527 1
1 47 . 3 1 1 A 7 7 GLY HA3 H 7 3.904 4.145 -0.241 1
1 48 . 3 1 1 A 7 7 GLY CA C 7 44.451 44.890 -0.439 1
1 49 . 3 1 1 A 7 7 GLY N N 7 103.966 111.420 -7.454 1
1 50 . 3 1 1 A 8 8 LEU H H 8 6.805 8.571 -1.766 1
1 51 . 3 1 1 A 8 8 LEU HA H 8 4.204 4.100 0.104 1
1 60 . 3 1 1 A 8 8 LEU CA C 8 53.799 55.302 -1.503 1
1 61 . 3 1 1 A 8 8 LEU CB C 8 42.762 42.042 0.720 1
1 62 . 3 1 1 A 8 8 LEU N N 8 119.119 122.681 -3.562 1
1 63 . 3 1 1 A 9 9 GLN H H 9 9.078 8.502 0.576 1
1 64 . 3 1 1 A 9 9 GLN HA H 9 4.105 4.680 -0.575 1
1 69 . 3 1 1 A 9 9 GLN CA C 9 55.604 55.570 0.034 1
1 70 . 3 1 1 A 9 9 GLN CB C 9 26.867 29.606 -2.739 1
1 71 . 3 1 1 A 9 9 GLN N N 9 124.351 122.793 1.558 1
1 72 . 3 1 1 A 10 10 ARG H H 10 6.912 8.353 -1.441 1
1 73 . 3 1 1 A 10 10 ARG HA H 10 4.536 4.877 -0.341 1
1 80 . 3 1 1 A 10 10 ARG CA C 10 51.817 54.061 -2.244 1
1 81 . 3 1 1 A 10 10 ARG CB C 10 34.485 33.398 1.087 1
1 83 . 3 1 1 A 10 10 ARG N N 10 125.940 124.999 0.941 1
1 84 . 3 1 1 A 11 11 ASP H H 11 8.544 8.949 -0.405 1
1 85 . 3 1 1 A 11 11 ASP HA H 11 4.633 4.332 0.301 1
1 88 . 3 1 1 A 11 11 ASP CA C 11 52.853 57.618 -4.765 1
1 89 . 3 1 1 A 11 11 ASP CB C 11 39.641 40.681 -1.040 1
1 90 . 3 1 1 A 11 11 ASP N N 11 121.026 123.517 -2.491 1
1 91 . 3 1 1 A 12 12 ILE H H 12 6.828 7.459 -0.631 1
1 92 . 3 1 1 A 12 12 ILE HA H 12 3.890 4.107 -0.217 1
1 102 . 3 1 1 A 12 12 ILE CA C 12 60.042 61.319 -1.277 1
1 103 . 3 1 1 A 12 12 ILE CB C 12 40.957 38.443 2.514 1
1 107 . 3 1 1 A 12 12 ILE N N 12 120.620 115.376 5.244 1
1 108 . 3 1 1 A 13 13 THR H H 13 7.910 8.631 -0.721 1
1 109 . 3 1 1 A 13 13 THR HA H 13 4.330 4.199 0.131 1
1 114 . 3 1 1 A 13 13 THR CB C 13 70.524 68.023 2.501 1
1 115 . 3 1 1 A 13 13 THR N N 13 118.106 119.015 -0.909 1
1 116 . 3 1 1 A 14 14 PRO HA H 14 4.884 4.584 0.300 1
1 122 . 3 1 1 A 14 14 PRO CA C 14 61.777 64.552 -2.775 1
1 123 . 3 1 1 A 14 14 PRO CB C 14 33.621 31.875 1.746 1
1 125 . 3 1 1 A 15 15 ARG H H 15 8.312 8.579 -0.267 1
1 126 . 3 1 1 A 15 15 ARG HA H 15 5.484 5.055 0.429 1
1 131 . 3 1 1 A 15 15 ARG CA C 15 54.493 55.490 -0.997 1
1 132 . 3 1 1 A 15 15 ARG CB C 15 33.621 33.375 0.246 1
1 133 . 3 1 1 A 15 15 ARG N N 15 111.571 118.341 -6.770 1
1 134 . 3 1 1 A 16 16 LEU H H 16 9.729 9.221 0.508 1
1 135 . 3 1 1 A 16 16 LEU HA H 16 5.329 5.385 -0.056 1
1 144 . 3 1 1 A 16 16 LEU CA C 16 53.650 53.534 0.116 1
1 145 . 3 1 1 A 16 16 LEU CB C 16 44.521 46.022 -1.501 1
1 148 . 3 1 1 A 16 16 LEU N N 16 125.998 126.869 -0.871 1
1 149 . 3 1 1 A 17 17 GLY H H 17 9.504 8.921 0.583 1
1 150 . 3 1 1 A 17 17 GLY HA2 H 17 5.346 4.405 0.941 1
1 151 . 3 1 1 A 17 17 GLY HA3 H 17 4.211 4.416 -0.205 1
1 152 . 3 1 1 A 17 17 GLY CA C 17 43.759 44.175 -0.416 1
1 153 . 3 1 1 A 17 17 GLY N N 17 114.627 112.522 2.105 1
1 154 . 3 1 1 A 18 18 ALA H H 18 7.733 8.701 -0.968 1
1 155 . 3 1 1 A 18 18 ALA HA H 18 5.244 4.991 0.253 1
1 159 . 3 1 1 A 18 18 ALA CA C 18 51.532 52.101 -0.569 1
1 160 . 3 1 1 A 18 18 ALA CB C 18 22.204 20.319 1.885 1
1 161 . 3 1 1 A 18 18 ALA N N 18 119.712 122.455 -2.743 1
1 162 . 3 1 1 A 19 19 ARG H H 19 8.363 9.045 -0.682 1
1 163 . 3 1 1 A 19 19 ARG HA H 19 4.632 4.804 -0.172 1
1 166 . 3 1 1 A 19 19 ARG CA C 19 54.915 56.396 -1.481 1
1 167 . 3 1 1 A 19 19 ARG CB C 19 31.971 31.269 0.702 1
1 168 . 3 1 1 A 19 19 ARG N N 19 122.423 126.134 -3.711 1
1 169 . 3 1 1 A 20 20 LEU H H 20 9.540 8.953 0.587 1
1 170 . 3 1 1 A 20 20 LEU HA H 20 4.703 5.170 -0.467 1
1 179 . 3 1 1 A 20 20 LEU CA C 20 54.103 53.482 0.621 1
1 180 . 3 1 1 A 20 20 LEU CB C 20 42.688 45.378 -2.690 1
1 183 . 3 1 1 A 20 20 LEU N N 20 130.686 126.710 3.976 1
1 184 . 3 1 1 A 21 21 VAL H H 21 8.352 9.127 -0.775 1
1 185 . 3 1 1 A 21 21 VAL HA H 21 4.346 4.918 -0.572 1
1 193 . 3 1 1 A 21 21 VAL CA C 21 61.817 59.498 2.319 1
1 194 . 3 1 1 A 21 21 VAL CB C 21 33.976 34.327 -0.351 1
1 197 . 3 1 1 A 21 21 VAL N N 21 120.930 123.927 -2.997 1
1 198 . 3 1 1 A 22 22 GLN H H 22 8.319 8.625 -0.306 1
1 199 . 3 1 1 A 22 22 GLN HA H 22 4.646 4.460 0.186 1
1 204 . 3 1 1 A 22 22 GLN CA C 22 54.818 55.729 -0.911 1
1 205 . 3 1 1 A 22 22 GLN CB C 22 29.251 29.524 -0.273 1
1 206 . 3 1 1 A 22 22 GLN N N 22 127.936 128.218 -0.282 1
1 207 . 3 1 1 A 23 23 GLU H H 23 8.667 8.684 -0.017 1
1 208 . 3 1 1 A 23 23 GLU HA H 23 4.370 4.554 -0.184 1
1 211 . 3 1 1 A 23 23 GLU CA C 23 54.495 55.489 -0.994 1
1 212 . 3 1 1 A 23 23 GLU CB C 23 30.618 31.234 -0.616 1
1 213 . 3 1 1 A 23 23 GLU N N 23 129.097 125.715 3.382 1
1 214 . 3 1 1 A 24 24 GLY H H 24 8.949 8.942 0.007 1
1 215 . 3 1 1 A 24 24 GLY HA2 H 24 3.879 3.900 -0.021 1
1 216 . 3 1 1 A 24 24 GLY HA3 H 24 3.543 3.902 -0.359 1
1 217 . 3 1 1 A 24 24 GLY CA C 24 46.645 44.995 1.650 1
1 218 . 3 1 1 A 24 24 GLY N N 24 117.894 116.563 1.331 1
1 219 . 3 1 1 A 25 25 ASN H H 25 8.747 8.636 0.111 1
1 220 . 3 1 1 A 25 25 ASN HA H 25 4.700 4.829 -0.129 1
1 223 . 3 1 1 A 25 25 ASN CA C 25 52.331 53.199 -0.868 1
1 224 . 3 1 1 A 25 25 ASN CB C 25 37.827 38.886 -1.059 1
1 225 . 3 1 1 A 25 25 ASN N N 25 124.981 121.554 3.427 1
1 226 . 3 1 1 A 26 26 GLN H H 26 7.811 7.403 0.408 1
1 227 . 3 1 1 A 26 26 GLN HA H 26 4.498 4.948 -0.450 1
1 232 . 3 1 1 A 26 26 GLN CA C 26 53.969 55.016 -1.047 1
1 233 . 3 1 1 A 26 26 GLN CB C 26 31.577 32.067 -0.490 1
1 235 . 3 1 1 A 26 26 GLN N N 26 117.634 119.836 -2.202 1
1 236 . 3 1 1 A 27 27 LEU H H 27 9.306 8.946 0.360 1
1 237 . 3 1 1 A 27 27 LEU HA H 27 4.973 4.967 0.006 1
1 246 . 3 1 1 A 27 27 LEU CA C 27 52.106 53.709 -1.603 1
1 247 . 3 1 1 A 27 27 LEU CB C 27 44.645 43.190 1.455 1
1 250 . 3 1 1 A 27 27 LEU N N 27 121.896 127.723 -5.827 1
1 251 . 3 1 1 A 28 28 HIS H H 28 8.998 8.849 0.149 1
1 252 . 3 1 1 A 28 28 HIS HA H 28 4.860 4.749 0.111 1
1 255 . 3 1 1 A 28 28 HIS CA C 28 53.461 55.715 -2.254 1
1 256 . 3 1 1 A 28 28 HIS CB C 28 30.884 30.427 0.457 1
1 257 . 3 1 1 A 28 28 HIS N N 28 119.141 124.948 -5.807 1
1 258 . 3 1 1 A 29 29 TYR H H 29 8.811 9.139 -0.328 1
1 259 . 3 1 1 A 29 29 TYR HA H 29 4.571 4.932 -0.361 1
1 266 . 3 1 1 A 29 29 TYR CA C 29 56.308 56.630 -0.322 1
1 267 . 3 1 1 A 29 29 TYR CB C 29 38.935 40.045 -1.110 1
1 272 . 3 1 1 A 29 29 TYR N N 29 124.729 131.427 -6.698 1
1 273 . 3 1 1 A 30 30 LEU H H 30 8.677 8.419 0.258 1
1 274 . 3 1 1 A 30 30 LEU HA H 30 4.275 4.329 -0.054 1
1 283 . 3 1 1 A 30 30 LEU CA C 30 52.463 53.429 -0.966 1
1 284 . 3 1 1 A 30 30 LEU CB C 30 42.668 42.542 0.126 1
1 287 . 3 1 1 A 30 30 LEU N N 30 131.620 129.096 2.524 1
1 288 . 3 1 1 A 31 31 ALA H H 31 8.503 8.790 -0.287 1
1 289 . 3 1 1 A 31 31 ALA HA H 31 3.606 3.852 -0.246 1
1 293 . 3 1 1 A 31 31 ALA CA C 31 54.068 54.685 -0.617 1
1 294 . 3 1 1 A 31 31 ALA CB C 31 17.576 18.463 -0.887 1
1 295 . 3 1 1 A 31 31 ALA N N 31 128.548 125.150 3.398 1
1 296 . 3 1 1 A 32 32 ASP H H 32 8.102 8.435 -0.333 1
1 297 . 3 1 1 A 32 32 ASP HA H 32 4.531 4.278 0.253 1
1 300 . 3 1 1 A 32 32 ASP CA C 32 53.266 54.648 -1.382 1
1 301 . 3 1 1 A 32 32 ASP CB C 32 38.572 39.381 -0.809 1
1 302 . 3 1 1 A 32 32 ASP N N 32 111.569 115.772 -4.203 1
1 303 . 3 1 1 A 33 33 ARG H H 33 7.346 7.144 0.202 1
1 304 . 3 1 1 A 33 33 ARG HA H 33 2.688 2.629 0.059 1
1 309 . 3 1 1 A 33 33 ARG CA C 33 51.257 54.065 -2.808 1
1 310 . 3 1 1 A 33 33 ARG CB C 33 28.426 30.082 -1.656 1
1 311 . 3 1 1 A 33 33 ARG N N 33 122.483 119.510 2.973 1
1 312 . 3 1 1 A 34 34 ALA H H 34 6.661 6.744 -0.083 1
1 313 . 3 1 1 A 34 34 ALA HA H 34 5.275 4.635 0.640 1
1 317 . 3 1 1 A 34 34 ALA CA C 34 50.673 51.624 -0.951 1
1 318 . 3 1 1 A 34 34 ALA CB C 34 23.479 22.654 0.825 1
1 319 . 3 1 1 A 34 34 ALA N N 34 120.854 123.187 -2.333 1
1 320 . 3 1 1 A 35 35 SER H H 35 9.494 9.031 0.463 1
1 321 . 3 1 1 A 35 35 SER HA H 35 4.962 4.963 -0.001 1
1 324 . 3 1 1 A 35 35 SER CA C 35 57.438 58.236 -0.798 1
1 325 . 3 1 1 A 35 35 SER CB C 35 66.260 65.345 0.915 1
1 326 . 3 1 1 A 35 35 SER N N 35 114.094 117.727 -3.633 1
1 327 . 3 1 1 A 36 36 ILE H H 36 8.989 8.736 0.253 1
1 328 . 3 1 1 A 36 36 ILE HA H 36 5.199 5.281 -0.082 1
1 338 . 3 1 1 A 36 36 ILE CA C 36 59.982 58.984 0.998 1
1 339 . 3 1 1 A 36 36 ILE CB C 36 39.235 41.972 -2.737 1
1 343 . 3 1 1 A 36 36 ILE N N 36 125.993 114.479 11.514 1
1 344 . 3 1 1 A 37 37 THR H H 37 9.107 8.703 0.404 1
1 345 . 3 1 1 A 37 37 THR HA H 37 4.478 4.946 -0.468 1
1 350 . 3 1 1 A 37 37 THR CA C 37 62.063 59.741 2.322 1
1 351 . 3 1 1 A 37 37 THR CB C 37 69.419 71.812 -2.393 1
1 352 . 3 1 1 A 37 37 THR N N 37 126.763 113.849 12.914 1
1 353 . 3 1 1 A 38 38 GLY H H 38 8.546 8.643 -0.097 1
1 354 . 3 1 1 A 38 38 GLY HA2 H 38 3.556 3.657 -0.101 1
1 355 . 3 1 1 A 38 38 GLY HA3 H 38 3.968 3.774 0.194 1
1 356 . 3 1 1 A 38 38 GLY CA C 38 43.487 46.163 -2.676 1
1 357 . 3 1 1 A 38 38 GLY N N 38 113.541 111.840 1.701 1
1 358 . 3 1 1 A 39 39 LYS H H 39 8.131 8.218 -0.087 1
1 359 . 3 1 1 A 39 39 LYS HA H 39 4.511 4.116 0.395 1
1 366 . 3 1 1 A 39 39 LYS CA C 39 54.562 56.656 -2.094 1
1 367 . 3 1 1 A 39 39 LYS CB C 39 34.646 32.610 2.036 1
1 370 . 3 1 1 A 39 39 LYS N N 39 119.477 122.752 -3.275 1
1 371 . 3 1 1 A 40 40 PHE H H 40 8.739 8.953 -0.214 1
1 372 . 3 1 1 A 40 40 PHE HA H 40 4.482 4.891 -0.409 1
1 380 . 3 1 1 A 40 40 PHE CA C 40 58.592 57.913 0.679 1
1 381 . 3 1 1 A 40 40 PHE CB C 40 39.593 40.273 -0.680 1
1 387 . 3 1 1 A 40 40 PHE N N 40 125.875 124.016 1.859 1
1 388 . 3 1 1 A 41 41 SER H H 41 9.825 8.928 0.897 1
1 389 . 3 1 1 A 41 41 SER HA H 41 4.484 4.550 -0.066 1
1 392 . 3 1 1 A 41 41 SER CA C 41 57.383 58.624 -1.241 1
1 393 . 3 1 1 A 41 41 SER CB C 41 64.570 64.199 0.371 1
1 394 . 3 1 1 A 41 41 SER N N 41 120.297 119.802 0.495 1
1 395 . 3 1 1 A 42 42 ASP H H 42 8.944 8.976 -0.032 1
1 396 . 3 1 1 A 42 42 ASP HA H 42 4.493 4.442 0.051 1
1 399 . 3 1 1 A 42 42 ASP CA C 42 57.068 56.683 0.385 1
1 400 . 3 1 1 A 42 42 ASP CB C 42 39.471 40.408 -0.937 1
1 401 . 3 1 1 A 42 42 ASP N N 42 121.339 124.084 -2.745 1
1 402 . 3 1 1 A 43 43 ALA H H 43 8.071 7.784 0.287 1
1 403 . 3 1 1 A 43 43 ALA HA H 43 4.254 4.177 0.077 1
1 407 . 3 1 1 A 43 43 ALA CA C 43 53.245 53.114 0.131 1
1 408 . 3 1 1 A 43 43 ALA CB C 43 18.716 19.227 -0.511 1
1 409 . 3 1 1 A 43 43 ALA N N 43 119.592 121.310 -1.718 1
1 410 . 3 1 1 A 44 44 GLU H H 44 7.860 7.889 -0.029 1
1 411 . 3 1 1 A 44 44 GLU HA H 44 4.164 4.528 -0.364 1
1 414 . 3 1 1 A 44 44 GLU CA C 44 57.748 57.001 0.747 1
1 415 . 3 1 1 A 44 44 GLU CB C 44 30.832 30.634 0.198 1
1 416 . 3 1 1 A 44 44 GLU N N 44 117.391 116.521 0.870 1
1 417 . 3 1 1 A 45 45 CYS H H 45 8.212 8.514 -0.302 1
1 418 . 3 1 1 A 45 45 CYS HA H 45 4.010 4.137 -0.127 1
1 421 . 3 1 1 A 45 45 CYS CA C 45 65.262 63.543 1.719 1
1 422 . 3 1 1 A 45 45 CYS CB C 45 24.356 26.536 -2.180 1
1 423 . 3 1 1 A 45 45 CYS N N 45 117.475 120.529 -3.054 1
1 424 . 3 1 1 A 46 46 PRO HA H 46 4.406 4.235 0.171 1
1 427 . 3 1 1 A 46 46 PRO CA C 46 64.575 66.268 -1.693 1
1 428 . 3 1 1 A 46 46 PRO CB C 46 30.339 30.851 -0.512 1
1 429 . 3 1 1 A 47 47 LYS H H 47 6.825 8.314 -1.489 1
1 430 . 3 1 1 A 47 47 LYS HA H 47 4.032 4.003 0.029 1
1 437 . 3 1 1 A 47 47 LYS CA C 47 57.897 59.113 -1.216 1
1 438 . 3 1 1 A 47 47 LYS CB C 47 32.303 32.330 -0.027 1
1 440 . 3 1 1 A 47 47 LYS N N 47 116.096 118.316 -2.220 1
1 441 . 3 1 1 A 48 48 LEU H H 48 7.980 7.464 0.516 1
1 442 . 3 1 1 A 48 48 LEU HA H 48 3.252 3.927 -0.675 1
1 451 . 3 1 1 A 48 48 LEU CA C 48 57.086 57.061 0.025 1
1 452 . 3 1 1 A 48 48 LEU CB C 48 40.525 42.101 -1.576 1
1 455 . 3 1 1 A 48 48 LEU N N 48 122.611 121.099 1.512 1
1 456 . 3 1 1 A 49 49 ASP H H 49 7.219 7.925 -0.706 1
1 457 . 3 1 1 A 49 49 ASP HA H 49 4.221 4.406 -0.185 1
1 460 . 3 1 1 A 49 49 ASP CA C 49 56.273 56.295 -0.022 1
1 461 . 3 1 1 A 49 49 ASP CB C 49 40.150 41.101 -0.951 1
1 462 . 3 1 1 A 49 49 ASP N N 49 115.153 119.219 -4.066 1
1 463 . 3 1 1 A 50 50 VAL H H 50 7.057 7.238 -0.181 1
1 464 . 3 1 1 A 50 50 VAL HA H 50 3.921 4.136 -0.215 1
1 472 . 3 1 1 A 50 50 VAL CA C 50 63.679 62.883 0.796 1
1 473 . 3 1 1 A 50 50 VAL CB C 50 32.269 32.140 0.129 1
1 476 . 3 1 1 A 50 50 VAL N N 50 115.474 112.747 2.727 1
1 477 . 3 1 1 A 51 51 VAL H H 51 8.071 7.636 0.435 1
1 478 . 3 1 1 A 51 51 VAL HA H 51 3.805 3.751 0.054 1
1 486 . 3 1 1 A 51 51 VAL CA C 51 63.650 64.864 -1.214 1
1 487 . 3 1 1 A 51 51 VAL CB C 51 31.130 31.456 -0.326 1
1 490 . 3 1 1 A 51 51 VAL N N 51 116.526 120.952 -4.426 1
1 491 . 3 1 1 A 52 52 PHE H H 52 8.203 8.175 0.028 1
1 492 . 3 1 1 A 52 52 PHE HA H 52 4.382 4.332 0.050 1
1 497 . 3 1 1 A 52 52 PHE CA C 52 63.038 61.771 1.267 1
1 498 . 3 1 1 A 52 52 PHE CB C 52 36.263 37.755 -1.492 1
1 501 . 3 1 1 A 52 52 PHE N N 52 121.336 120.419 0.917 1
1 502 . 3 1 1 A 53 53 PRO HA H 53 3.930 4.282 -0.352 1
1 507 . 3 1 1 A 53 53 PRO CA C 53 65.098 66.221 -1.123 1
1 508 . 3 1 1 A 53 53 PRO CB C 53 30.053 30.956 -0.903 1
1 509 . 3 1 1 A 54 54 HIS H H 54 6.741 7.680 -0.939 1
1 510 . 3 1 1 A 54 54 HIS HA H 54 4.041 4.136 -0.095 1
1 513 . 3 1 1 A 54 54 HIS CA C 54 59.100 59.515 -0.415 1
1 514 . 3 1 1 A 54 54 HIS CB C 54 28.478 30.324 -1.846 1
1 515 . 3 1 1 A 54 54 HIS N N 54 116.851 117.465 -0.614 1
1 516 . 3 1 1 A 55 55 PHE H H 55 7.902 7.865 0.037 1
1 517 . 3 1 1 A 55 55 PHE HA H 55 4.230 3.819 0.411 1
1 522 . 3 1 1 A 55 55 PHE CA C 55 59.471 61.370 -1.899 1
1 523 . 3 1 1 A 55 55 PHE CB C 55 37.210 39.304 -2.094 1
1 526 . 3 1 1 A 55 55 PHE N N 55 118.222 119.646 -1.424 1
1 527 . 3 1 1 A 56 56 ILE H H 56 7.812 8.173 -0.361 1
1 528 . 3 1 1 A 56 56 ILE HA H 56 3.176 3.727 -0.551 1
1 538 . 3 1 1 A 56 56 ILE CA C 56 64.446 64.297 0.149 1
1 539 . 3 1 1 A 56 56 ILE CB C 56 35.405 36.459 -1.054 1
1 542 . 3 1 1 A 56 56 ILE N N 56 117.686 120.139 -2.453 1
1 543 . 3 1 1 A 57 57 SER H H 57 7.660 7.986 -0.326 1
1 544 . 3 1 1 A 57 57 SER HA H 57 4.230 3.930 0.300 1
1 547 . 3 1 1 A 57 57 SER CA C 57 60.942 61.806 -0.864 1
1 548 . 3 1 1 A 57 57 SER CB C 57 62.062 62.613 -0.551 1
1 549 . 3 1 1 A 57 57 SER N N 57 113.709 116.410 -2.701 1
1 550 . 3 1 1 A 58 58 GLN H H 58 7.830 7.082 0.748 1
1 551 . 3 1 1 A 58 58 GLN HA H 58 3.934 3.918 0.016 1
1 554 . 3 1 1 A 58 58 GLN CA C 58 58.232 58.462 -0.230 1
1 555 . 3 1 1 A 58 58 GLN CB C 58 28.502 28.241 0.261 1
1 556 . 3 1 1 A 58 58 GLN N N 58 121.550 120.634 0.916 1
1 557 . 3 1 1 A 59 59 ILE H H 59 8.482 7.486 0.996 1
1 558 . 3 1 1 A 59 59 ILE HA H 59 3.434 3.494 -0.060 1
1 568 . 3 1 1 A 59 59 ILE CA C 59 65.096 65.331 -0.235 1
1 569 . 3 1 1 A 59 59 ILE CB C 59 36.901 37.508 -0.607 1
1 572 . 3 1 1 A 59 59 ILE N N 59 121.796 121.371 0.425 1
1 573 . 3 1 1 A 60 60 GLU H H 60 8.450 8.613 -0.163 1
1 574 . 3 1 1 A 60 60 GLU HA H 60 3.705 3.955 -0.250 1
1 579 . 3 1 1 A 60 60 GLU CA C 60 59.896 59.872 0.024 1
1 580 . 3 1 1 A 60 60 GLU CB C 60 29.133 29.425 -0.292 1
1 581 . 3 1 1 A 60 60 GLU N N 60 119.765 120.855 -1.090 1
1 582 . 3 1 1 A 61 61 SER H H 61 7.815 7.573 0.242 1
1 583 . 3 1 1 A 61 61 SER HA H 61 4.226 4.342 -0.116 1
1 586 . 3 1 1 A 61 61 SER CA C 61 61.382 61.520 -0.138 1
1 587 . 3 1 1 A 61 61 SER N N 61 114.979 116.682 -1.703 1
1 588 . 3 1 1 A 62 62 MET H H 62 7.878 8.009 -0.131 1
1 589 . 3 1 1 A 62 62 MET HA H 62 4.390 4.155 0.235 1
1 595 . 3 1 1 A 62 62 MET CA C 62 58.334 58.195 0.139 1
1 596 . 3 1 1 A 62 62 MET CB C 62 33.326 32.079 1.247 1
1 597 . 3 1 1 A 62 62 MET N N 62 120.947 121.318 -0.371 1
1 598 . 3 1 1 A 63 63 LEU H H 63 8.179 7.925 0.254 1
1 599 . 3 1 1 A 63 63 LEU HA H 63 4.333 3.980 0.353 1
1 609 . 3 1 1 A 63 63 LEU CA C 63 56.920 57.796 -0.876 1
1 610 . 3 1 1 A 63 63 LEU CB C 63 40.871 41.352 -0.481 1
1 613 . 3 1 1 A 63 63 LEU N N 63 121.156 119.706 1.450 1
1 614 . 3 1 1 A 64 64 THR H H 64 7.913 7.828 0.085 1
1 615 . 3 1 1 A 64 64 THR HA H 64 3.980 4.156 -0.176 1
1 620 . 3 1 1 A 64 64 THR CA C 64 65.633 64.701 0.932 1
1 621 . 3 1 1 A 64 64 THR CB C 64 68.205 68.758 -0.553 1
1 622 . 3 1 1 A 64 64 THR N N 64 116.077 111.443 4.634 1
1 623 . 3 1 1 A 65 65 THR H H 65 8.138 9.095 -0.957 1
1 624 . 3 1 1 A 65 65 THR HA H 65 4.224 3.999 0.225 1
1 629 . 3 1 1 A 65 65 THR CA C 65 62.390 65.181 -2.791 1
1 630 . 3 1 1 A 65 65 THR CB C 65 69.153 68.153 1.000 1
1 632 . 3 1 1 A 65 65 THR N N 65 110.012 113.668 -3.656 1
1 633 . 3 1 1 A 66 66 GLY H H 66 7.529 8.076 -0.547 1
1 634 . 3 1 1 A 66 66 GLY HA2 H 66 4.300 3.894 0.406 1
1 635 . 3 1 1 A 66 66 GLY HA3 H 66 3.771 3.900 -0.129 1
1 636 . 3 1 1 A 66 66 GLY CA C 66 44.829 45.732 -0.903 1
1 637 . 3 1 1 A 66 66 GLY N N 66 108.759 110.050 -1.291 1
1 638 . 3 1 1 A 67 67 GLU H H 67 8.480 7.737 0.743 1
1 639 . 3 1 1 A 67 67 GLU HA H 67 3.920 4.131 -0.211 1
1 644 . 3 1 1 A 67 67 GLU CA C 67 59.013 57.196 1.817 1
1 645 . 3 1 1 A 67 67 GLU CB C 67 30.042 28.147 1.895 1
1 647 . 3 1 1 A 67 67 GLU N N 67 123.262 115.513 7.749 1
1 648 . 3 1 1 A 68 68 LEU H H 68 7.137 8.157 -1.020 1
1 649 . 3 1 1 A 68 68 LEU HA H 68 4.545 4.335 0.210 1
1 659 . 3 1 1 A 68 68 LEU CA C 68 52.955 55.024 -2.069 1
1 660 . 3 1 1 A 68 68 LEU CB C 68 45.377 42.629 2.748 1
1 663 . 3 1 1 A 68 68 LEU N N 68 115.782 121.413 -5.631 1
1 664 . 3 1 1 A 69 69 ASN H H 69 9.102 8.525 0.577 1
1 665 . 3 1 1 A 69 69 ASN HA H 69 5.125 5.463 -0.338 1
1 668 . 3 1 1 A 69 69 ASN CA C 69 49.347 50.422 -1.075 1
1 669 . 3 1 1 A 69 69 ASN CB C 69 41.313 39.379 1.934 1
1 670 . 3 1 1 A 69 69 ASN N N 69 121.546 119.005 2.541 1
1 671 . 3 1 1 A 70 70 PRO HA H 70 4.479 4.411 0.068 1
1 678 . 3 1 1 A 70 70 PRO CA C 70 64.544 64.398 0.146 1
1 679 . 3 1 1 A 70 70 PRO CB C 70 33.813 32.008 1.805 1
1 681 . 3 1 1 A 71 71 ARG H H 71 7.981 8.377 -0.396 1
1 682 . 3 1 1 A 71 71 ARG HA H 71 4.225 4.167 0.058 1
1 689 . 3 1 1 A 71 71 ARG CA C 71 55.319 58.134 -2.815 1
1 690 . 3 1 1 A 71 71 ARG CB C 71 30.545 30.374 0.171 1
1 693 . 3 1 1 A 71 71 ARG N N 71 109.539 117.771 -8.232 1
1 694 . 3 1 1 A 72 72 HIS H H 72 7.702 8.099 -0.397 1
1 695 . 3 1 1 A 72 72 HIS HA H 72 4.780 4.860 -0.080 1
1 698 . 3 1 1 A 72 72 HIS CA C 72 53.769 55.338 -1.569 1
1 699 . 3 1 1 A 72 72 HIS CB C 72 32.267 33.305 -1.038 1
1 700 . 3 1 1 A 72 72 HIS N N 72 118.028 117.455 0.573 1
1 701 . 3 1 1 A 73 73 ALA H H 73 8.586 7.871 0.715 1
1 702 . 3 1 1 A 73 73 ALA HA H 73 4.130 4.206 -0.076 1
1 706 . 3 1 1 A 73 73 ALA CA C 73 52.426 52.840 -0.414 1
1 707 . 3 1 1 A 73 73 ALA CB C 73 17.699 18.927 -1.228 1
1 708 . 3 1 1 A 73 73 ALA N N 73 127.706 126.588 1.118 1
1 709 . 3 1 1 A 74 74 GLN H H 74 9.530 8.173 1.357 1
1 710 . 3 1 1 A 74 74 GLN HA H 74 4.089 4.877 -0.788 1
1 715 . 3 1 1 A 74 74 GLN CA C 74 57.063 55.498 1.565 1
1 716 . 3 1 1 A 74 74 GLN CB C 74 29.296 33.215 -3.919 1
1 717 . 3 1 1 A 74 74 GLN N N 74 125.174 120.937 4.237 1
1 718 . 3 1 1 A 75 75 CYS H H 75 8.611 8.687 -0.076 1
1 719 . 3 1 1 A 75 75 CYS HA H 75 5.175 5.354 -0.179 1
1 722 . 3 1 1 A 75 75 CYS CA C 75 57.365 57.526 -0.161 1
1 723 . 3 1 1 A 75 75 CYS CB C 75 27.393 32.008 -4.615 1
1 724 . 3 1 1 A 75 75 CYS N N 75 127.825 123.039 4.786 1
1 725 . 3 1 1 A 76 76 VAL H H 76 9.430 8.448 0.982 1
1 726 . 3 1 1 A 76 76 VAL HA H 76 4.672 4.768 -0.096 1
1 734 . 3 1 1 A 76 76 VAL CA C 76 59.670 60.094 -0.424 1
1 735 . 3 1 1 A 76 76 VAL CB C 76 33.946 35.783 -1.837 1
1 738 . 3 1 1 A 76 76 VAL N N 76 127.195 121.066 6.129 1
1 739 . 3 1 1 A 77 77 THR H H 77 8.203 8.906 -0.703 1
1 740 . 3 1 1 A 77 77 THR HA H 77 4.890 5.234 -0.344 1
1 745 . 3 1 1 A 77 77 THR CA C 77 61.623 60.659 0.964 1
1 746 . 3 1 1 A 77 77 THR CB C 77 69.561 71.021 -1.460 1
1 747 . 3 1 1 A 77 77 THR N N 77 117.773 117.911 -0.138 1
1 748 . 3 1 1 A 78 78 LEU H H 78 9.220 9.017 0.203 1
1 749 . 3 1 1 A 78 78 LEU HA H 78 4.597 5.034 -0.437 1
1 758 . 3 1 1 A 78 78 LEU CA C 78 52.667 53.495 -0.828 1
1 759 . 3 1 1 A 78 78 LEU CB C 78 45.023 44.718 0.305 1
1 762 . 3 1 1 A 78 78 LEU N N 78 127.846 127.495 0.351 1
1 763 . 3 1 1 A 79 79 TYR H H 79 8.739 8.723 0.016 1
1 764 . 3 1 1 A 79 79 TYR HA H 79 5.680 5.204 0.476 1
1 771 . 3 1 1 A 79 79 TYR CA C 79 55.963 56.535 -0.572 1
1 772 . 3 1 1 A 79 79 TYR CB C 79 41.396 41.394 0.002 1
1 777 . 3 1 1 A 79 79 TYR N N 79 117.451 119.811 -2.360 1
1 778 . 3 1 1 A 80 80 HIS H H 80 9.324 8.690 0.634 1
1 779 . 3 1 1 A 80 80 HIS HA H 80 4.545 4.916 -0.371 1
1 782 . 3 1 1 A 80 80 HIS CA C 80 57.781 54.543 3.238 1
1 783 . 3 1 1 A 80 80 HIS CB C 80 32.894 32.980 -0.086 1
1 784 . 3 1 1 A 80 80 HIS N N 80 121.592 120.781 0.811 1
1 785 . 3 1 1 A 81 81 ASN H H 81 8.619 9.446 -0.827 1
1 786 . 3 1 1 A 81 81 ASN HA H 81 4.091 4.410 -0.319 1
1 789 . 3 1 1 A 81 81 ASN CA C 81 52.908 54.506 -1.598 1
1 790 . 3 1 1 A 81 81 ASN CB C 81 37.384 37.254 0.130 1
1 791 . 3 1 1 A 81 81 ASN N N 81 125.264 123.777 1.487 1
1 792 . 3 1 1 A 82 82 GLY H H 82 8.336 8.438 -0.102 1
1 793 . 3 1 1 A 82 82 GLY HA2 H 82 4.096 3.924 0.172 1
1 794 . 3 1 1 A 82 82 GLY HA3 H 82 3.595 3.936 -0.341 1
1 795 . 3 1 1 A 82 82 GLY CA C 82 45.132 45.435 -0.303 1
1 796 . 3 1 1 A 82 82 GLY N N 82 102.719 105.433 -2.714 1
1 797 . 3 1 1 A 83 83 PHE H H 83 8.498 7.967 0.531 1
1 798 . 3 1 1 A 83 83 PHE HA H 83 5.049 4.574 0.475 1
1 803 . 3 1 1 A 83 83 PHE CA C 83 57.244 58.540 -1.296 1
1 804 . 3 1 1 A 83 83 PHE CB C 83 42.331 39.924 2.407 1
1 807 . 3 1 1 A 83 83 PHE N N 83 120.461 119.470 0.991 1
1 808 . 3 1 1 A 84 84 THR H H 84 9.387 8.703 0.684 1
1 809 . 3 1 1 A 84 84 THR HA H 84 4.771 4.982 -0.211 1
1 814 . 3 1 1 A 84 84 THR CA C 84 60.323 61.430 -1.107 1
1 815 . 3 1 1 A 84 84 THR CB C 84 71.263 71.126 0.137 1
1 816 . 3 1 1 A 84 84 THR N N 84 118.901 115.613 3.288 1
1 817 . 3 1 1 A 85 85 CYS H H 85 8.691 9.109 -0.418 1
1 818 . 3 1 1 A 85 85 CYS HA H 85 5.010 5.125 -0.115 1
1 821 . 3 1 1 A 85 85 CYS CA C 85 54.594 57.067 -2.473 1
1 822 . 3 1 1 A 85 85 CYS CB C 85 26.847 29.618 -2.771 1
1 823 . 3 1 1 A 85 85 CYS N N 85 124.244 127.279 -3.035 1
1 824 . 3 1 1 A 86 86 GLU H H 86 9.051 8.962 0.089 1
1 825 . 3 1 1 A 86 86 GLU HA H 86 5.304 4.990 0.314 1
1 830 . 3 1 1 A 86 86 GLU CA C 86 54.424 55.693 -1.269 1
1 831 . 3 1 1 A 86 86 GLU CB C 86 34.037 31.098 2.939 1
1 832 . 3 1 1 A 86 86 GLU N N 86 128.372 126.800 1.572 1
1 833 . 3 1 1 A 87 87 ALA H H 87 8.758 8.273 0.485 1
1 834 . 3 1 1 A 87 87 ALA HA H 87 5.520 5.332 0.188 1
1 838 . 3 1 1 A 87 87 ALA CA C 87 49.578 50.935 -1.357 1
1 839 . 3 1 1 A 87 87 ALA N N 87 122.903 128.300 -5.397 1
1 840 . 3 1 1 A 88 88 ASP H H 88 8.849 8.303 0.546 1
1 841 . 3 1 1 A 88 88 ASP HA H 88 5.146 5.229 -0.083 1
1 844 . 3 1 1 A 88 88 ASP CA C 88 53.299 53.069 0.230 1
1 845 . 3 1 1 A 88 88 ASP CB C 88 46.981 44.997 1.984 1
1 846 . 3 1 1 A 88 88 ASP N N 88 119.653 121.289 -1.636 1
1 847 . 3 1 1 A 89 89 THR H H 89 9.780 8.477 1.303 1
1 848 . 3 1 1 A 89 89 THR HA H 89 4.940 4.491 0.449 1
1 853 . 3 1 1 A 89 89 THR CA C 89 63.221 63.014 0.207 1
1 854 . 3 1 1 A 89 89 THR CB C 89 69.269 70.405 -1.136 1
1 856 . 3 1 1 A 89 89 THR N N 89 120.857 115.367 5.490 1
1 857 . 3 1 1 A 90 90 LEU H H 90 10.670 8.199 2.471 1
1 858 . 3 1 1 A 90 90 LEU HA H 90 3.619 3.934 -0.315 1
1 868 . 3 1 1 A 90 90 LEU CA C 90 55.620 56.229 -0.609 1
1 869 . 3 1 1 A 90 90 LEU CB C 90 38.653 40.247 -1.594 1
1 873 . 3 1 1 A 90 90 LEU N N 90 121.028 117.924 3.104 1
1 874 . 3 1 1 A 91 91 GLY H H 91 8.606 8.490 0.116 1
1 875 . 3 1 1 A 91 91 GLY HA2 H 91 3.500 3.840 -0.340 1
1 876 . 3 1 1 A 91 91 GLY HA3 H 91 3.680 3.853 -0.173 1
1 877 . 3 1 1 A 91 91 GLY CA C 91 46.299 45.475 0.824 1
1 878 . 3 1 1 A 91 91 GLY N N 91 107.743 105.725 2.018 1
1 879 . 3 1 1 A 92 92 SER H H 92 8.126 8.920 -0.794 1
1 880 . 3 1 1 A 92 92 SER HA H 92 4.078 4.521 -0.443 1
1 883 . 3 1 1 A 92 92 SER CA C 92 59.779 57.872 1.907 1
1 884 . 3 1 1 A 92 92 SER CB C 92 65.161 62.363 2.798 1
1 885 . 3 1 1 A 92 92 SER N N 92 112.753 116.050 -3.297 1
1 886 . 3 1 1 A 93 93 CYS H H 93 9.001 8.569 0.432 1
1 887 . 3 1 1 A 93 93 CYS HA H 93 3.617 4.165 -0.548 1
1 890 . 3 1 1 A 93 93 CYS CA C 93 59.953 61.148 -1.195 1
1 891 . 3 1 1 A 93 93 CYS CB C 93 25.176 27.134 -1.958 1
1 892 . 3 1 1 A 93 93 CYS N N 93 119.159 125.601 -6.442 1
1 893 . 3 1 1 A 94 94 GLY H H 94 8.795 8.701 0.094 1
1 894 . 3 1 1 A 94 94 GLY HA2 H 94 4.063 3.775 0.288 1
1 895 . 3 1 1 A 94 94 GLY HA3 H 94 3.503 3.794 -0.291 1
1 896 . 3 1 1 A 94 94 GLY CA C 94 46.150 46.142 0.008 1
1 897 . 3 1 1 A 94 94 GLY N N 94 105.924 113.193 -7.269 1
1 898 . 3 1 1 A 95 95 TYR H H 95 8.144 7.644 0.500 1
1 899 . 3 1 1 A 95 95 TYR HA H 95 5.743 5.068 0.675 1
1 906 . 3 1 1 A 95 95 TYR CA C 95 54.818 56.243 -1.425 1
1 907 . 3 1 1 A 95 95 TYR CB C 95 41.503 43.222 -1.719 1
1 912 . 3 1 1 A 95 95 TYR N N 95 118.757 118.511 0.246 1
1 913 . 3 1 1 A 96 96 VAL H H 96 8.280 8.483 -0.203 1
1 914 . 3 1 1 A 96 96 VAL HA H 96 4.082 4.433 -0.351 1
1 922 . 3 1 1 A 96 96 VAL CA C 96 62.593 60.073 2.520 1
1 923 . 3 1 1 A 96 96 VAL CB C 96 34.676 35.332 -0.656 1
1 926 . 3 1 1 A 96 96 VAL N N 96 117.579 119.495 -1.916 1
1 927 . 3 1 1 A 97 97 TYR H H 97 9.171 8.823 0.348 1
1 928 . 3 1 1 A 97 97 TYR HA H 97 4.987 5.494 -0.507 1
1 935 . 3 1 1 A 97 97 TYR CA C 97 57.046 56.053 0.993 1
1 936 . 3 1 1 A 97 97 TYR CB C 97 39.334 41.418 -2.084 1
1 941 . 3 1 1 A 97 97 TYR N N 97 129.228 125.733 3.495 1
1 942 . 3 1 1 A 98 98 ILE H H 98 8.739 8.951 -0.212 1
1 943 . 3 1 1 A 98 98 ILE HA H 98 6.098 5.266 0.832 1
1 953 . 3 1 1 A 98 98 ILE CA C 98 57.878 59.483 -1.605 1
1 954 . 3 1 1 A 98 98 ILE CB C 98 43.028 42.758 0.270 1
1 958 . 3 1 1 A 98 98 ILE N N 98 112.588 117.489 -4.901 1
1 959 . 3 1 1 A 99 99 ALA H H 99 8.867 8.589 0.278 1
1 960 . 3 1 1 A 99 99 ALA HA H 99 5.507 5.339 0.168 1
1 964 . 3 1 1 A 99 99 ALA CA C 99 51.757 51.680 0.077 1
1 965 . 3 1 1 A 99 99 ALA CB C 99 21.801 22.020 -0.219 1
1 966 . 3 1 1 A 99 99 ALA N N 99 124.370 123.837 0.533 1
1 967 . 3 1 1 A 100 100 VAL H H 100 9.706 9.075 0.631 1
1 968 . 3 1 1 A 100 100 VAL HA H 100 5.238 4.694 0.544 1
1 976 . 3 1 1 A 100 100 VAL CA C 100 60.077 61.654 -1.577 1
1 977 . 3 1 1 A 100 100 VAL CB C 100 34.166 32.446 1.720 1
1 980 . 3 1 1 A 100 100 VAL N N 100 122.354 123.383 -1.029 1
1 981 . 3 1 1 A 101 101 TYR H H 101 8.833 8.803 0.030 1
1 982 . 3 1 1 A 101 101 TYR HA H 101 5.529 5.185 0.344 1
1 985 . 3 1 1 A 101 101 TYR CA C 101 54.118 55.968 -1.850 1
1 986 . 3 1 1 A 101 101 TYR CB C 101 37.597 41.789 -4.192 1
1 987 . 3 1 1 A 101 101 TYR N N 101 123.413 128.149 -4.736 1
1 988 . 3 1 1 A 102 102 PRO HA H 102 4.198 4.077 0.121 1
1 993 . 3 1 1 A 102 102 PRO CA C 102 61.976 62.384 -0.408 1
1 994 . 3 1 1 A 102 102 PRO CB C 102 31.325 32.072 -0.747 1
1 996 . 3 1 1 A 103 103 THR H H 103 8.740 8.018 0.722 1
1 997 . 3 1 1 A 103 103 THR HA H 103 3.983 4.719 -0.736 1
1 1002 . 3 1 1 A 103 103 THR CA C 103 64.447 60.614 3.833 1
1 1003 . 3 1 1 A 103 103 THR CB C 103 68.595 70.732 -2.137 1
1 1005 . 3 1 1 A 103 103 THR N N 103 122.463 116.453 6.010 1
1 1006 . 3 1 1 A 104 104 GLN H H 104 8.672 8.623 0.049 1
1 1007 . 3 1 1 A 104 104 GLN HA H 104 4.309 4.532 -0.223 1
1 1010 . 3 1 1 A 104 104 GLN CA C 104 54.989 56.048 -1.059 1
1 1011 . 3 1 1 A 104 104 GLN CB C 104 29.277 28.941 0.336 1
1 1012 . 3 1 1 A 104 104 GLN N N 104 123.452 125.140 -1.688 1
1 1 . 4 1 1 A 3 3 ASN HA H 3 4.740 4.821 -0.081 1
1 4 . 4 1 1 A 3 3 ASN CA C 3 52.719 53.842 -1.123 1
1 5 . 4 1 1 A 3 3 ASN CB C 3 38.344 38.847 -0.503 1
1 6 . 4 1 1 A 4 4 THR H H 4 8.142 8.781 -0.639 1
1 7 . 4 1 1 A 4 4 THR HA H 4 4.059 4.791 -0.732 1
1 12 . 4 1 1 A 4 4 THR CA C 4 61.542 62.013 -0.471 1
1 13 . 4 1 1 A 4 4 THR CB C 4 69.257 70.399 -1.142 1
1 15 . 4 1 1 A 4 4 THR N N 4 116.100 122.790 -6.690 1
1 16 . 4 1 1 A 5 5 THR H H 5 7.898 8.779 -0.881 1
1 17 . 4 1 1 A 5 5 THR HA H 5 4.167 4.599 -0.432 1
1 22 . 4 1 1 A 5 5 THR CA C 5 60.219 60.901 -0.682 1
1 23 . 4 1 1 A 5 5 THR CB C 5 69.457 71.674 -2.217 1
1 25 . 4 1 1 A 5 5 THR N N 5 117.796 119.716 -1.920 1
1 26 . 4 1 1 A 6 6 TRP H H 6 8.248 8.993 -0.745 1
1 27 . 4 1 1 A 6 6 TRP HA H 6 4.608 4.160 0.448 1
1 36 . 4 1 1 A 6 6 TRP CA C 6 55.971 60.324 -4.353 1
1 37 . 4 1 1 A 6 6 TRP CB C 6 32.251 29.472 2.779 1
1 43 . 4 1 1 A 6 6 TRP N N 6 123.584 126.063 -2.479 1
1 45 . 4 1 1 A 7 7 GLY H H 7 8.590 8.453 0.137 1
1 46 . 4 1 1 A 7 7 GLY HA2 H 7 4.668 4.190 0.478 1
1 47 . 4 1 1 A 7 7 GLY HA3 H 7 3.904 4.197 -0.293 1
1 48 . 4 1 1 A 7 7 GLY CA C 7 44.451 44.628 -0.177 1
1 49 . 4 1 1 A 7 7 GLY N N 7 103.966 108.188 -4.222 1
1 50 . 4 1 1 A 8 8 LEU H H 8 6.805 8.531 -1.726 1
1 51 . 4 1 1 A 8 8 LEU HA H 8 4.204 4.254 -0.050 1
1 60 . 4 1 1 A 8 8 LEU CA C 8 53.799 55.700 -1.901 1
1 61 . 4 1 1 A 8 8 LEU CB C 8 42.762 42.187 0.575 1
1 62 . 4 1 1 A 8 8 LEU N N 8 119.119 121.173 -2.054 1
1 63 . 4 1 1 A 9 9 GLN H H 9 9.078 8.485 0.593 1
1 64 . 4 1 1 A 9 9 GLN HA H 9 4.105 4.878 -0.773 1
1 69 . 4 1 1 A 9 9 GLN CA C 9 55.604 55.319 0.285 1
1 70 . 4 1 1 A 9 9 GLN CB C 9 26.867 29.711 -2.844 1
1 71 . 4 1 1 A 9 9 GLN N N 9 124.351 122.218 2.133 1
1 72 . 4 1 1 A 10 10 ARG H H 10 6.912 8.788 -1.876 1
1 73 . 4 1 1 A 10 10 ARG HA H 10 4.536 4.901 -0.365 1
1 80 . 4 1 1 A 10 10 ARG CA C 10 51.817 54.243 -2.426 1
1 81 . 4 1 1 A 10 10 ARG CB C 10 34.485 33.240 1.245 1
1 83 . 4 1 1 A 10 10 ARG N N 10 125.940 122.406 3.534 1
1 84 . 4 1 1 A 11 11 ASP H H 11 8.544 8.635 -0.091 1
1 85 . 4 1 1 A 11 11 ASP HA H 11 4.633 4.733 -0.100 1
1 88 . 4 1 1 A 11 11 ASP CA C 11 52.853 55.717 -2.864 1
1 89 . 4 1 1 A 11 11 ASP CB C 11 39.641 42.132 -2.491 1
1 90 . 4 1 1 A 11 11 ASP N N 11 121.026 117.519 3.507 1
1 91 . 4 1 1 A 12 12 ILE H H 12 6.828 7.390 -0.562 1
1 92 . 4 1 1 A 12 12 ILE HA H 12 3.890 4.182 -0.292 1
1 102 . 4 1 1 A 12 12 ILE CA C 12 60.042 61.070 -1.028 1
1 103 . 4 1 1 A 12 12 ILE CB C 12 40.957 38.491 2.466 1
1 107 . 4 1 1 A 12 12 ILE N N 12 120.620 116.880 3.740 1
1 108 . 4 1 1 A 13 13 THR H H 13 7.910 8.853 -0.943 1
1 109 . 4 1 1 A 13 13 THR HA H 13 4.330 4.070 0.260 1
1 114 . 4 1 1 A 13 13 THR CB C 13 70.524 68.342 2.182 1
1 115 . 4 1 1 A 13 13 THR N N 13 118.106 117.133 0.973 1
1 116 . 4 1 1 A 14 14 PRO HA H 14 4.884 4.326 0.558 1
1 122 . 4 1 1 A 14 14 PRO CA C 14 61.777 65.988 -4.211 1
1 123 . 4 1 1 A 14 14 PRO CB C 14 33.621 31.375 2.246 1
1 125 . 4 1 1 A 15 15 ARG H H 15 8.312 8.164 0.148 1
1 126 . 4 1 1 A 15 15 ARG HA H 15 5.484 4.815 0.669 1
1 131 . 4 1 1 A 15 15 ARG CA C 15 54.493 55.478 -0.985 1
1 132 . 4 1 1 A 15 15 ARG CB C 15 33.621 32.044 1.577 1
1 133 . 4 1 1 A 15 15 ARG N N 15 111.571 118.148 -6.577 1
1 134 . 4 1 1 A 16 16 LEU H H 16 9.729 9.175 0.554 1
1 135 . 4 1 1 A 16 16 LEU HA H 16 5.329 5.225 0.104 1
1 144 . 4 1 1 A 16 16 LEU CA C 16 53.650 53.766 -0.116 1
1 145 . 4 1 1 A 16 16 LEU CB C 16 44.521 45.777 -1.256 1
1 148 . 4 1 1 A 16 16 LEU N N 16 125.998 125.195 0.803 1
1 149 . 4 1 1 A 17 17 GLY H H 17 9.504 8.979 0.525 1
1 150 . 4 1 1 A 17 17 GLY HA2 H 17 5.346 4.162 1.184 1
1 151 . 4 1 1 A 17 17 GLY HA3 H 17 4.211 4.169 0.042 1
1 152 . 4 1 1 A 17 17 GLY CA C 17 43.759 44.789 -1.030 1
1 153 . 4 1 1 A 17 17 GLY N N 17 114.627 113.983 0.644 1
1 154 . 4 1 1 A 18 18 ALA H H 18 7.733 8.923 -1.190 1
1 155 . 4 1 1 A 18 18 ALA HA H 18 5.244 4.738 0.506 1
1 159 . 4 1 1 A 18 18 ALA CA C 18 51.532 51.380 0.152 1
1 160 . 4 1 1 A 18 18 ALA CB C 18 22.204 18.930 3.274 1
1 161 . 4 1 1 A 18 18 ALA N N 18 119.712 123.849 -4.137 1
1 162 . 4 1 1 A 19 19 ARG H H 19 8.363 7.907 0.456 1
1 163 . 4 1 1 A 19 19 ARG HA H 19 4.632 4.428 0.204 1
1 166 . 4 1 1 A 19 19 ARG CA C 19 54.915 56.270 -1.355 1
1 167 . 4 1 1 A 19 19 ARG CB C 19 31.971 30.550 1.421 1
1 168 . 4 1 1 A 19 19 ARG N N 19 122.423 118.160 4.263 1
1 169 . 4 1 1 A 20 20 LEU H H 20 9.540 8.558 0.982 1
1 170 . 4 1 1 A 20 20 LEU HA H 20 4.703 4.999 -0.296 1
1 179 . 4 1 1 A 20 20 LEU CA C 20 54.103 53.232 0.871 1
1 180 . 4 1 1 A 20 20 LEU CB C 20 42.688 45.139 -2.451 1
1 183 . 4 1 1 A 20 20 LEU N N 20 130.686 125.347 5.339 1
1 184 . 4 1 1 A 21 21 VAL H H 21 8.352 8.662 -0.310 1
1 185 . 4 1 1 A 21 21 VAL HA H 21 4.346 4.752 -0.406 1
1 193 . 4 1 1 A 21 21 VAL CA C 21 61.817 60.911 0.906 1
1 194 . 4 1 1 A 21 21 VAL CB C 21 33.976 33.216 0.760 1
1 197 . 4 1 1 A 21 21 VAL N N 21 120.930 119.238 1.692 1
1 198 . 4 1 1 A 22 22 GLN H H 22 8.319 8.839 -0.520 1
1 199 . 4 1 1 A 22 22 GLN HA H 22 4.646 4.642 0.004 1
1 204 . 4 1 1 A 22 22 GLN CA C 22 54.818 55.475 -0.657 1
1 205 . 4 1 1 A 22 22 GLN CB C 22 29.251 29.610 -0.359 1
1 206 . 4 1 1 A 22 22 GLN N N 22 127.936 124.629 3.307 1
1 207 . 4 1 1 A 23 23 GLU H H 23 8.667 8.697 -0.030 1
1 208 . 4 1 1 A 23 23 GLU HA H 23 4.370 4.771 -0.401 1
1 211 . 4 1 1 A 23 23 GLU CA C 23 54.495 55.414 -0.919 1
1 212 . 4 1 1 A 23 23 GLU CB C 23 30.618 31.866 -1.248 1
1 213 . 4 1 1 A 23 23 GLU N N 23 129.097 123.562 5.535 1
1 214 . 4 1 1 A 24 24 GLY H H 24 8.949 9.015 -0.066 1
1 215 . 4 1 1 A 24 24 GLY HA2 H 24 3.879 3.880 -0.001 1
1 216 . 4 1 1 A 24 24 GLY HA3 H 24 3.543 3.881 -0.338 1
1 217 . 4 1 1 A 24 24 GLY CA C 24 46.645 45.144 1.501 1
1 218 . 4 1 1 A 24 24 GLY N N 24 117.894 111.671 6.223 1
1 219 . 4 1 1 A 25 25 ASN H H 25 8.747 8.630 0.117 1
1 220 . 4 1 1 A 25 25 ASN HA H 25 4.700 4.769 -0.069 1
1 223 . 4 1 1 A 25 25 ASN CA C 25 52.331 53.196 -0.865 1
1 224 . 4 1 1 A 25 25 ASN CB C 25 37.827 38.968 -1.141 1
1 225 . 4 1 1 A 25 25 ASN N N 25 124.981 123.552 1.429 1
1 226 . 4 1 1 A 26 26 GLN H H 26 7.811 7.670 0.141 1
1 227 . 4 1 1 A 26 26 GLN HA H 26 4.498 4.846 -0.348 1
1 232 . 4 1 1 A 26 26 GLN CA C 26 53.969 54.545 -0.576 1
1 233 . 4 1 1 A 26 26 GLN CB C 26 31.577 31.992 -0.415 1
1 235 . 4 1 1 A 26 26 GLN N N 26 117.634 116.877 0.757 1
1 236 . 4 1 1 A 27 27 LEU H H 27 9.306 8.847 0.459 1
1 237 . 4 1 1 A 27 27 LEU HA H 27 4.973 4.827 0.146 1
1 246 . 4 1 1 A 27 27 LEU CA C 27 52.106 53.854 -1.748 1
1 247 . 4 1 1 A 27 27 LEU CB C 27 44.645 43.156 1.489 1
1 250 . 4 1 1 A 27 27 LEU N N 27 121.896 123.833 -1.937 1
1 251 . 4 1 1 A 28 28 HIS H H 28 8.998 8.835 0.163 1
1 252 . 4 1 1 A 28 28 HIS HA H 28 4.860 4.879 -0.019 1
1 255 . 4 1 1 A 28 28 HIS CA C 28 53.461 55.183 -1.722 1
1 256 . 4 1 1 A 28 28 HIS CB C 28 30.884 31.065 -0.181 1
1 257 . 4 1 1 A 28 28 HIS N N 28 119.141 124.570 -5.429 1
1 258 . 4 1 1 A 29 29 TYR H H 29 8.811 9.247 -0.436 1
1 259 . 4 1 1 A 29 29 TYR HA H 29 4.571 4.885 -0.314 1
1 266 . 4 1 1 A 29 29 TYR CA C 29 56.308 56.769 -0.461 1
1 267 . 4 1 1 A 29 29 TYR CB C 29 38.935 39.933 -0.998 1
1 272 . 4 1 1 A 29 29 TYR N N 29 124.729 131.358 -6.629 1
1 273 . 4 1 1 A 30 30 LEU H H 30 8.677 8.393 0.284 1
1 274 . 4 1 1 A 30 30 LEU HA H 30 4.275 4.439 -0.164 1
1 283 . 4 1 1 A 30 30 LEU CA C 30 52.463 53.710 -1.247 1
1 284 . 4 1 1 A 30 30 LEU CB C 30 42.668 41.354 1.314 1
1 287 . 4 1 1 A 30 30 LEU N N 30 131.620 129.270 2.350 1
1 288 . 4 1 1 A 31 31 ALA H H 31 8.503 8.879 -0.376 1
1 289 . 4 1 1 A 31 31 ALA HA H 31 3.606 3.865 -0.259 1
1 293 . 4 1 1 A 31 31 ALA CA C 31 54.068 55.080 -1.012 1
1 294 . 4 1 1 A 31 31 ALA CB C 31 17.576 18.340 -0.764 1
1 295 . 4 1 1 A 31 31 ALA N N 31 128.548 127.349 1.199 1
1 296 . 4 1 1 A 32 32 ASP H H 32 8.102 8.025 0.077 1
1 297 . 4 1 1 A 32 32 ASP HA H 32 4.531 4.181 0.350 1
1 300 . 4 1 1 A 32 32 ASP CA C 32 53.266 56.075 -2.809 1
1 301 . 4 1 1 A 32 32 ASP CB C 32 38.572 40.092 -1.520 1
1 302 . 4 1 1 A 32 32 ASP N N 32 111.569 117.175 -5.606 1
1 303 . 4 1 1 A 33 33 ARG H H 33 7.346 7.521 -0.175 1
1 304 . 4 1 1 A 33 33 ARG HA H 33 2.688 3.631 -0.943 1
1 309 . 4 1 1 A 33 33 ARG CA C 33 51.257 54.878 -3.621 1
1 310 . 4 1 1 A 33 33 ARG CB C 33 28.426 29.290 -0.864 1
1 311 . 4 1 1 A 33 33 ARG N N 33 122.483 116.864 5.619 1
1 312 . 4 1 1 A 34 34 ALA H H 34 6.661 7.358 -0.697 1
1 313 . 4 1 1 A 34 34 ALA HA H 34 5.275 4.745 0.530 1
1 317 . 4 1 1 A 34 34 ALA CA C 34 50.673 51.528 -0.855 1
1 318 . 4 1 1 A 34 34 ALA CB C 34 23.479 22.787 0.692 1
1 319 . 4 1 1 A 34 34 ALA N N 34 120.854 120.751 0.103 1
1 320 . 4 1 1 A 35 35 SER H H 35 9.494 8.755 0.739 1
1 321 . 4 1 1 A 35 35 SER HA H 35 4.962 5.110 -0.148 1
1 324 . 4 1 1 A 35 35 SER CA C 35 57.438 57.639 -0.201 1
1 325 . 4 1 1 A 35 35 SER CB C 35 66.260 66.877 -0.617 1
1 326 . 4 1 1 A 35 35 SER N N 35 114.094 114.637 -0.543 1
1 327 . 4 1 1 A 36 36 ILE H H 36 8.989 8.785 0.204 1
1 328 . 4 1 1 A 36 36 ILE HA H 36 5.199 5.081 0.118 1
1 338 . 4 1 1 A 36 36 ILE CA C 36 59.982 60.282 -0.300 1
1 339 . 4 1 1 A 36 36 ILE CB C 36 39.235 40.060 -0.825 1
1 343 . 4 1 1 A 36 36 ILE N N 36 125.993 122.146 3.847 1
1 344 . 4 1 1 A 37 37 THR H H 37 9.107 9.011 0.096 1
1 345 . 4 1 1 A 37 37 THR HA H 37 4.478 4.930 -0.452 1
1 350 . 4 1 1 A 37 37 THR CA C 37 62.063 61.297 0.766 1
1 351 . 4 1 1 A 37 37 THR CB C 37 69.419 72.182 -2.763 1
1 352 . 4 1 1 A 37 37 THR N N 37 126.763 120.977 5.786 1
1 353 . 4 1 1 A 38 38 GLY H H 38 8.546 8.644 -0.098 1
1 354 . 4 1 1 A 38 38 GLY HA2 H 38 3.556 3.768 -0.212 1
1 355 . 4 1 1 A 38 38 GLY HA3 H 38 3.968 3.849 0.119 1
1 356 . 4 1 1 A 38 38 GLY CA C 38 43.487 46.427 -2.940 1
1 357 . 4 1 1 A 38 38 GLY N N 38 113.541 112.807 0.734 1
1 358 . 4 1 1 A 39 39 LYS H H 39 8.131 7.832 0.299 1
1 359 . 4 1 1 A 39 39 LYS HA H 39 4.511 4.867 -0.356 1
1 366 . 4 1 1 A 39 39 LYS CA C 39 54.562 54.764 -0.202 1
1 367 . 4 1 1 A 39 39 LYS CB C 39 34.646 35.903 -1.257 1
1 370 . 4 1 1 A 39 39 LYS N N 39 119.477 117.698 1.779 1
1 371 . 4 1 1 A 40 40 PHE H H 40 8.739 9.231 -0.492 1
1 372 . 4 1 1 A 40 40 PHE HA H 40 4.482 5.016 -0.534 1
1 380 . 4 1 1 A 40 40 PHE CA C 40 58.592 56.566 2.026 1
1 381 . 4 1 1 A 40 40 PHE CB C 40 39.593 41.718 -2.125 1
1 387 . 4 1 1 A 40 40 PHE N N 40 125.875 120.979 4.896 1
1 388 . 4 1 1 A 41 41 SER H H 41 9.825 9.055 0.770 1
1 389 . 4 1 1 A 41 41 SER HA H 41 4.484 4.587 -0.103 1
1 392 . 4 1 1 A 41 41 SER CA C 41 57.383 58.739 -1.356 1
1 393 . 4 1 1 A 41 41 SER CB C 41 64.570 64.348 0.222 1
1 394 . 4 1 1 A 41 41 SER N N 41 120.297 120.497 -0.200 1
1 395 . 4 1 1 A 42 42 ASP H H 42 8.944 9.158 -0.214 1
1 396 . 4 1 1 A 42 42 ASP HA H 42 4.493 4.344 0.149 1
1 399 . 4 1 1 A 42 42 ASP CA C 42 57.068 56.530 0.538 1
1 400 . 4 1 1 A 42 42 ASP CB C 42 39.471 40.057 -0.586 1
1 401 . 4 1 1 A 42 42 ASP N N 42 121.339 123.602 -2.263 1
1 402 . 4 1 1 A 43 43 ALA H H 43 8.071 7.821 0.250 1
1 403 . 4 1 1 A 43 43 ALA HA H 43 4.254 4.234 0.020 1
1 407 . 4 1 1 A 43 43 ALA CA C 43 53.245 53.126 0.119 1
1 408 . 4 1 1 A 43 43 ALA CB C 43 18.716 19.097 -0.381 1
1 409 . 4 1 1 A 43 43 ALA N N 43 119.592 120.571 -0.979 1
1 410 . 4 1 1 A 44 44 GLU H H 44 7.860 8.355 -0.495 1
1 411 . 4 1 1 A 44 44 GLU HA H 44 4.164 4.578 -0.414 1
1 414 . 4 1 1 A 44 44 GLU CA C 44 57.748 57.202 0.546 1
1 415 . 4 1 1 A 44 44 GLU CB C 44 30.832 31.060 -0.228 1
1 416 . 4 1 1 A 44 44 GLU N N 44 117.391 116.371 1.020 1
1 417 . 4 1 1 A 45 45 CYS H H 45 8.212 9.259 -1.047 1
1 418 . 4 1 1 A 45 45 CYS HA H 45 4.010 4.149 -0.139 1
1 421 . 4 1 1 A 45 45 CYS CA C 45 65.262 63.643 1.619 1
1 422 . 4 1 1 A 45 45 CYS CB C 45 24.356 25.805 -1.449 1
1 423 . 4 1 1 A 45 45 CYS N N 45 117.475 120.606 -3.131 1
1 424 . 4 1 1 A 46 46 PRO HA H 46 4.406 4.238 0.168 1
1 427 . 4 1 1 A 46 46 PRO CA C 46 64.575 66.218 -1.643 1
1 428 . 4 1 1 A 46 46 PRO CB C 46 30.339 30.842 -0.503 1
1 429 . 4 1 1 A 47 47 LYS H H 47 6.825 8.388 -1.563 1
1 430 . 4 1 1 A 47 47 LYS HA H 47 4.032 4.020 0.012 1
1 437 . 4 1 1 A 47 47 LYS CA C 47 57.897 59.486 -1.589 1
1 438 . 4 1 1 A 47 47 LYS CB C 47 32.303 32.224 0.079 1
1 440 . 4 1 1 A 47 47 LYS N N 47 116.096 118.464 -2.368 1
1 441 . 4 1 1 A 48 48 LEU H H 48 7.980 7.703 0.277 1
1 442 . 4 1 1 A 48 48 LEU HA H 48 3.252 3.809 -0.557 1
1 451 . 4 1 1 A 48 48 LEU CA C 48 57.086 57.969 -0.883 1
1 452 . 4 1 1 A 48 48 LEU CB C 48 40.525 40.933 -0.408 1
1 455 . 4 1 1 A 48 48 LEU N N 48 122.611 120.148 2.463 1
1 456 . 4 1 1 A 49 49 ASP H H 49 7.219 7.791 -0.572 1
1 457 . 4 1 1 A 49 49 ASP HA H 49 4.221 4.426 -0.205 1
1 460 . 4 1 1 A 49 49 ASP CA C 49 56.273 56.311 -0.038 1
1 461 . 4 1 1 A 49 49 ASP CB C 49 40.150 41.047 -0.897 1
1 462 . 4 1 1 A 49 49 ASP N N 49 115.153 118.522 -3.369 1
1 463 . 4 1 1 A 50 50 VAL H H 50 7.057 7.538 -0.481 1
1 464 . 4 1 1 A 50 50 VAL HA H 50 3.921 4.211 -0.290 1
1 472 . 4 1 1 A 50 50 VAL CA C 50 63.679 63.840 -0.161 1
1 473 . 4 1 1 A 50 50 VAL CB C 50 32.269 32.528 -0.259 1
1 476 . 4 1 1 A 50 50 VAL N N 50 115.474 117.555 -2.081 1
1 477 . 4 1 1 A 51 51 VAL H H 51 8.071 7.639 0.432 1
1 478 . 4 1 1 A 51 51 VAL HA H 51 3.805 3.917 -0.112 1
1 486 . 4 1 1 A 51 51 VAL CA C 51 63.650 64.594 -0.944 1
1 487 . 4 1 1 A 51 51 VAL CB C 51 31.130 32.194 -1.064 1
1 490 . 4 1 1 A 51 51 VAL N N 51 116.526 120.589 -4.063 1
1 491 . 4 1 1 A 52 52 PHE H H 52 8.203 8.329 -0.126 1
1 492 . 4 1 1 A 52 52 PHE HA H 52 4.382 4.415 -0.033 1
1 497 . 4 1 1 A 52 52 PHE CA C 52 63.038 61.912 1.126 1
1 498 . 4 1 1 A 52 52 PHE CB C 52 36.263 37.631 -1.368 1
1 501 . 4 1 1 A 52 52 PHE N N 52 121.336 120.966 0.370 1
1 502 . 4 1 1 A 53 53 PRO HA H 53 3.930 4.290 -0.360 1
1 507 . 4 1 1 A 53 53 PRO CA C 53 65.098 66.094 -0.996 1
1 508 . 4 1 1 A 53 53 PRO CB C 53 30.053 30.964 -0.911 1
1 509 . 4 1 1 A 54 54 HIS H H 54 6.741 7.704 -0.963 1
1 510 . 4 1 1 A 54 54 HIS HA H 54 4.041 4.042 -0.001 1
1 513 . 4 1 1 A 54 54 HIS CA C 54 59.100 59.473 -0.373 1
1 514 . 4 1 1 A 54 54 HIS CB C 54 28.478 30.226 -1.748 1
1 515 . 4 1 1 A 54 54 HIS N N 54 116.851 117.346 -0.495 1
1 516 . 4 1 1 A 55 55 PHE H H 55 7.902 7.686 0.216 1
1 517 . 4 1 1 A 55 55 PHE HA H 55 4.230 3.891 0.339 1
1 522 . 4 1 1 A 55 55 PHE CA C 55 59.471 61.470 -1.999 1
1 523 . 4 1 1 A 55 55 PHE CB C 55 37.210 38.550 -1.340 1
1 526 . 4 1 1 A 55 55 PHE N N 55 118.222 116.784 1.438 1
1 527 . 4 1 1 A 56 56 ILE H H 56 7.812 7.782 0.030 1
1 528 . 4 1 1 A 56 56 ILE HA H 56 3.176 3.740 -0.564 1
1 538 . 4 1 1 A 56 56 ILE CA C 56 64.446 63.922 0.524 1
1 539 . 4 1 1 A 56 56 ILE CB C 56 35.405 36.715 -1.310 1
1 542 . 4 1 1 A 56 56 ILE N N 56 117.686 119.971 -2.285 1
1 543 . 4 1 1 A 57 57 SER H H 57 7.660 8.107 -0.447 1
1 544 . 4 1 1 A 57 57 SER HA H 57 4.230 4.102 0.128 1
1 547 . 4 1 1 A 57 57 SER CA C 57 60.942 61.300 -0.358 1
1 548 . 4 1 1 A 57 57 SER CB C 57 62.062 62.777 -0.715 1
1 549 . 4 1 1 A 57 57 SER N N 57 113.709 117.274 -3.565 1
1 550 . 4 1 1 A 58 58 GLN H H 58 7.830 7.124 0.706 1
1 551 . 4 1 1 A 58 58 GLN HA H 58 3.934 4.071 -0.137 1
1 554 . 4 1 1 A 58 58 GLN CA C 58 58.232 58.036 0.196 1
1 555 . 4 1 1 A 58 58 GLN CB C 58 28.502 28.411 0.091 1
1 556 . 4 1 1 A 58 58 GLN N N 58 121.550 120.792 0.758 1
1 557 . 4 1 1 A 59 59 ILE H H 59 8.482 8.235 0.247 1
1 558 . 4 1 1 A 59 59 ILE HA H 59 3.434 3.601 -0.167 1
1 568 . 4 1 1 A 59 59 ILE CA C 59 65.096 65.415 -0.319 1
1 569 . 4 1 1 A 59 59 ILE CB C 59 36.901 37.759 -0.858 1
1 572 . 4 1 1 A 59 59 ILE N N 59 121.796 120.991 0.805 1
1 573 . 4 1 1 A 60 60 GLU H H 60 8.450 8.097 0.353 1
1 574 . 4 1 1 A 60 60 GLU HA H 60 3.705 3.929 -0.224 1
1 579 . 4 1 1 A 60 60 GLU CA C 60 59.896 59.521 0.375 1
1 580 . 4 1 1 A 60 60 GLU CB C 60 29.133 29.103 0.030 1
1 581 . 4 1 1 A 60 60 GLU N N 60 119.765 119.815 -0.050 1
1 582 . 4 1 1 A 61 61 SER H H 61 7.815 7.890 -0.075 1
1 583 . 4 1 1 A 61 61 SER HA H 61 4.226 4.199 0.027 1
1 586 . 4 1 1 A 61 61 SER CA C 61 61.382 61.759 -0.377 1
1 587 . 4 1 1 A 61 61 SER N N 61 114.979 116.840 -1.861 1
1 588 . 4 1 1 A 62 62 MET H H 62 7.878 8.288 -0.410 1
1 589 . 4 1 1 A 62 62 MET HA H 62 4.390 4.211 0.179 1
1 595 . 4 1 1 A 62 62 MET CA C 62 58.334 58.027 0.307 1
1 596 . 4 1 1 A 62 62 MET CB C 62 33.326 31.686 1.640 1
1 597 . 4 1 1 A 62 62 MET N N 62 120.947 120.009 0.938 1
1 598 . 4 1 1 A 63 63 LEU H H 63 8.179 7.721 0.458 1
1 599 . 4 1 1 A 63 63 LEU HA H 63 4.333 3.973 0.360 1
1 609 . 4 1 1 A 63 63 LEU CA C 63 56.920 57.962 -1.042 1
1 610 . 4 1 1 A 63 63 LEU CB C 63 40.871 41.620 -0.749 1
1 613 . 4 1 1 A 63 63 LEU N N 63 121.156 120.438 0.718 1
1 614 . 4 1 1 A 64 64 THR H H 64 7.913 7.346 0.567 1
1 615 . 4 1 1 A 64 64 THR HA H 64 3.980 4.120 -0.140 1
1 620 . 4 1 1 A 64 64 THR CA C 64 65.633 66.017 -0.384 1
1 621 . 4 1 1 A 64 64 THR CB C 64 68.205 69.246 -1.041 1
1 622 . 4 1 1 A 64 64 THR N N 64 116.077 114.539 1.538 1
1 623 . 4 1 1 A 65 65 THR H H 65 8.138 8.787 -0.649 1
1 624 . 4 1 1 A 65 65 THR HA H 65 4.224 3.972 0.252 1
1 629 . 4 1 1 A 65 65 THR CA C 65 62.390 66.779 -4.389 1
1 630 . 4 1 1 A 65 65 THR CB C 65 69.153 67.841 1.312 1
1 632 . 4 1 1 A 65 65 THR N N 65 110.012 115.860 -5.848 1
1 633 . 4 1 1 A 66 66 GLY H H 66 7.529 8.386 -0.857 1
1 634 . 4 1 1 A 66 66 GLY HA2 H 66 4.300 3.937 0.363 1
1 635 . 4 1 1 A 66 66 GLY HA3 H 66 3.771 3.937 -0.166 1
1 636 . 4 1 1 A 66 66 GLY CA C 66 44.829 45.400 -0.571 1
1 637 . 4 1 1 A 66 66 GLY N N 66 108.759 107.968 0.791 1
1 638 . 4 1 1 A 67 67 GLU H H 67 8.480 7.904 0.576 1
1 639 . 4 1 1 A 67 67 GLU HA H 67 3.920 4.251 -0.331 1
1 644 . 4 1 1 A 67 67 GLU CA C 67 59.013 56.977 2.036 1
1 645 . 4 1 1 A 67 67 GLU CB C 67 30.042 28.511 1.531 1
1 647 . 4 1 1 A 67 67 GLU N N 67 123.262 116.495 6.767 1
1 648 . 4 1 1 A 68 68 LEU H H 68 7.137 8.267 -1.130 1
1 649 . 4 1 1 A 68 68 LEU HA H 68 4.545 4.529 0.016 1
1 659 . 4 1 1 A 68 68 LEU CA C 68 52.955 55.246 -2.291 1
1 660 . 4 1 1 A 68 68 LEU CB C 68 45.377 42.967 2.410 1
1 663 . 4 1 1 A 68 68 LEU N N 68 115.782 125.748 -9.966 1
1 664 . 4 1 1 A 69 69 ASN H H 69 9.102 8.790 0.312 1
1 665 . 4 1 1 A 69 69 ASN HA H 69 5.125 5.413 -0.288 1
1 668 . 4 1 1 A 69 69 ASN CA C 69 49.347 50.649 -1.302 1
1 669 . 4 1 1 A 69 69 ASN CB C 69 41.313 39.502 1.811 1
1 670 . 4 1 1 A 69 69 ASN N N 69 121.546 123.922 -2.376 1
1 671 . 4 1 1 A 70 70 PRO HA H 70 4.479 4.683 -0.204 1
1 678 . 4 1 1 A 70 70 PRO CA C 70 64.544 62.522 2.022 1
1 679 . 4 1 1 A 70 70 PRO CB C 70 33.813 29.994 3.819 1
1 681 . 4 1 1 A 71 71 ARG H H 71 7.981 8.347 -0.366 1
1 682 . 4 1 1 A 71 71 ARG HA H 71 4.225 4.627 -0.402 1
1 689 . 4 1 1 A 71 71 ARG CA C 71 55.319 56.226 -0.907 1
1 690 . 4 1 1 A 71 71 ARG CB C 71 30.545 33.362 -2.817 1
1 693 . 4 1 1 A 71 71 ARG N N 71 109.539 124.365 -14.826 1
1 694 . 4 1 1 A 72 72 HIS H H 72 7.702 7.677 0.025 1
1 695 . 4 1 1 A 72 72 HIS HA H 72 4.780 4.927 -0.147 1
1 698 . 4 1 1 A 72 72 HIS CA C 72 53.769 55.888 -2.119 1
1 699 . 4 1 1 A 72 72 HIS CB C 72 32.267 33.058 -0.791 1
1 700 . 4 1 1 A 72 72 HIS N N 72 118.028 117.277 0.751 1
1 701 . 4 1 1 A 73 73 ALA H H 73 8.586 7.791 0.795 1
1 702 . 4 1 1 A 73 73 ALA HA H 73 4.130 4.206 -0.076 1
1 706 . 4 1 1 A 73 73 ALA CA C 73 52.426 52.956 -0.530 1
1 707 . 4 1 1 A 73 73 ALA CB C 73 17.699 18.963 -1.264 1
1 708 . 4 1 1 A 73 73 ALA N N 73 127.706 126.531 1.175 1
1 709 . 4 1 1 A 74 74 GLN H H 74 9.530 8.448 1.082 1
1 710 . 4 1 1 A 74 74 GLN HA H 74 4.089 4.882 -0.793 1
1 715 . 4 1 1 A 74 74 GLN CA C 74 57.063 55.704 1.359 1
1 716 . 4 1 1 A 74 74 GLN CB C 74 29.296 33.253 -3.957 1
1 717 . 4 1 1 A 74 74 GLN N N 74 125.174 121.336 3.838 1
1 718 . 4 1 1 A 75 75 CYS H H 75 8.611 8.669 -0.058 1
1 719 . 4 1 1 A 75 75 CYS HA H 75 5.175 5.396 -0.221 1
1 722 . 4 1 1 A 75 75 CYS CA C 75 57.365 57.633 -0.268 1
1 723 . 4 1 1 A 75 75 CYS CB C 75 27.393 32.049 -4.656 1
1 724 . 4 1 1 A 75 75 CYS N N 75 127.825 123.023 4.802 1
1 725 . 4 1 1 A 76 76 VAL H H 76 9.430 8.468 0.962 1
1 726 . 4 1 1 A 76 76 VAL HA H 76 4.672 4.993 -0.321 1
1 734 . 4 1 1 A 76 76 VAL CA C 76 59.670 60.569 -0.899 1
1 735 . 4 1 1 A 76 76 VAL CB C 76 33.946 35.974 -2.028 1
1 738 . 4 1 1 A 76 76 VAL N N 76 127.195 123.153 4.042 1
1 739 . 4 1 1 A 77 77 THR H H 77 8.203 8.910 -0.707 1
1 740 . 4 1 1 A 77 77 THR HA H 77 4.890 5.075 -0.185 1
1 745 . 4 1 1 A 77 77 THR CA C 77 61.623 62.083 -0.460 1
1 746 . 4 1 1 A 77 77 THR CB C 77 69.561 69.811 -0.250 1
1 747 . 4 1 1 A 77 77 THR N N 77 117.773 124.104 -6.331 1
1 748 . 4 1 1 A 78 78 LEU H H 78 9.220 8.727 0.493 1
1 749 . 4 1 1 A 78 78 LEU HA H 78 4.597 5.297 -0.700 1
1 758 . 4 1 1 A 78 78 LEU CA C 78 52.667 53.976 -1.309 1
1 759 . 4 1 1 A 78 78 LEU CB C 78 45.023 44.547 0.476 1
1 762 . 4 1 1 A 78 78 LEU N N 78 127.846 126.860 0.986 1
1 763 . 4 1 1 A 79 79 TYR H H 79 8.739 8.374 0.365 1
1 764 . 4 1 1 A 79 79 TYR HA H 79 5.680 5.932 -0.252 1
1 771 . 4 1 1 A 79 79 TYR CA C 79 55.963 55.472 0.491 1
1 772 . 4 1 1 A 79 79 TYR CB C 79 41.396 41.951 -0.555 1
1 777 . 4 1 1 A 79 79 TYR N N 79 117.451 119.965 -2.514 1
1 778 . 4 1 1 A 80 80 HIS H H 80 9.324 8.910 0.414 1
1 779 . 4 1 1 A 80 80 HIS HA H 80 4.545 4.858 -0.313 1
1 782 . 4 1 1 A 80 80 HIS CA C 80 57.781 54.482 3.299 1
1 783 . 4 1 1 A 80 80 HIS CB C 80 32.894 32.914 -0.020 1
1 784 . 4 1 1 A 80 80 HIS N N 80 121.592 119.322 2.270 1
1 785 . 4 1 1 A 81 81 ASN H H 81 8.619 9.552 -0.933 1
1 786 . 4 1 1 A 81 81 ASN HA H 81 4.091 4.386 -0.295 1
1 789 . 4 1 1 A 81 81 ASN CA C 81 52.908 54.106 -1.198 1
1 790 . 4 1 1 A 81 81 ASN CB C 81 37.384 37.593 -0.209 1
1 791 . 4 1 1 A 81 81 ASN N N 81 125.264 122.519 2.745 1
1 792 . 4 1 1 A 82 82 GLY H H 82 8.336 8.531 -0.195 1
1 793 . 4 1 1 A 82 82 GLY HA2 H 82 4.096 3.780 0.316 1
1 794 . 4 1 1 A 82 82 GLY HA3 H 82 3.595 3.867 -0.272 1
1 795 . 4 1 1 A 82 82 GLY CA C 82 45.132 45.397 -0.265 1
1 796 . 4 1 1 A 82 82 GLY N N 82 102.719 104.171 -1.452 1
1 797 . 4 1 1 A 83 83 PHE H H 83 8.498 7.655 0.843 1
1 798 . 4 1 1 A 83 83 PHE HA H 83 5.049 4.656 0.393 1
1 803 . 4 1 1 A 83 83 PHE CA C 83 57.244 58.440 -1.196 1
1 804 . 4 1 1 A 83 83 PHE CB C 83 42.331 40.244 2.087 1
1 807 . 4 1 1 A 83 83 PHE N N 83 120.461 119.532 0.929 1
1 808 . 4 1 1 A 84 84 THR H H 84 9.387 8.773 0.614 1
1 809 . 4 1 1 A 84 84 THR HA H 84 4.771 5.242 -0.471 1
1 814 . 4 1 1 A 84 84 THR CA C 84 60.323 61.279 -0.956 1
1 815 . 4 1 1 A 84 84 THR CB C 84 71.263 71.282 -0.019 1
1 816 . 4 1 1 A 84 84 THR N N 84 118.901 114.900 4.001 1
1 817 . 4 1 1 A 85 85 CYS H H 85 8.691 8.994 -0.303 1
1 818 . 4 1 1 A 85 85 CYS HA H 85 5.010 4.816 0.194 1
1 821 . 4 1 1 A 85 85 CYS CA C 85 54.594 57.054 -2.460 1
1 822 . 4 1 1 A 85 85 CYS CB C 85 26.847 28.945 -2.098 1
1 823 . 4 1 1 A 85 85 CYS N N 85 124.244 125.816 -1.572 1
1 824 . 4 1 1 A 86 86 GLU H H 86 9.051 8.517 0.534 1
1 825 . 4 1 1 A 86 86 GLU HA H 86 5.304 5.180 0.124 1
1 830 . 4 1 1 A 86 86 GLU CA C 86 54.424 55.459 -1.035 1
1 831 . 4 1 1 A 86 86 GLU CB C 86 34.037 32.522 1.515 1
1 832 . 4 1 1 A 86 86 GLU N N 86 128.372 124.004 4.368 1
1 833 . 4 1 1 A 87 87 ALA H H 87 8.758 8.766 -0.008 1
1 834 . 4 1 1 A 87 87 ALA HA H 87 5.520 5.269 0.251 1
1 838 . 4 1 1 A 87 87 ALA CA C 87 49.578 50.745 -1.167 1
1 839 . 4 1 1 A 87 87 ALA N N 87 122.903 126.907 -4.004 1
1 840 . 4 1 1 A 88 88 ASP H H 88 8.849 8.298 0.551 1
1 841 . 4 1 1 A 88 88 ASP HA H 88 5.146 5.058 0.088 1
1 844 . 4 1 1 A 88 88 ASP CA C 88 53.299 54.085 -0.786 1
1 845 . 4 1 1 A 88 88 ASP CB C 88 46.981 45.061 1.920 1
1 846 . 4 1 1 A 88 88 ASP N N 88 119.653 119.724 -0.071 1
1 847 . 4 1 1 A 89 89 THR H H 89 9.780 8.065 1.715 1
1 848 . 4 1 1 A 89 89 THR HA H 89 4.940 4.586 0.354 1
1 853 . 4 1 1 A 89 89 THR CA C 89 63.221 62.704 0.517 1
1 854 . 4 1 1 A 89 89 THR CB C 89 69.269 70.330 -1.061 1
1 856 . 4 1 1 A 89 89 THR N N 89 120.857 117.928 2.929 1
1 857 . 4 1 1 A 90 90 LEU H H 90 10.670 8.880 1.790 1
1 858 . 4 1 1 A 90 90 LEU HA H 90 3.619 3.957 -0.338 1
1 868 . 4 1 1 A 90 90 LEU CA C 90 55.620 56.247 -0.627 1
1 869 . 4 1 1 A 90 90 LEU CB C 90 38.653 40.170 -1.517 1
1 873 . 4 1 1 A 90 90 LEU N N 90 121.028 118.270 2.758 1
1 874 . 4 1 1 A 91 91 GLY H H 91 8.606 8.644 -0.038 1
1 875 . 4 1 1 A 91 91 GLY HA2 H 91 3.500 3.862 -0.362 1
1 876 . 4 1 1 A 91 91 GLY HA3 H 91 3.680 3.927 -0.247 1
1 877 . 4 1 1 A 91 91 GLY CA C 91 46.299 46.303 -0.004 1
1 878 . 4 1 1 A 91 91 GLY N N 91 107.743 105.680 2.063 1
1 879 . 4 1 1 A 92 92 SER H H 92 8.126 8.482 -0.356 1
1 880 . 4 1 1 A 92 92 SER HA H 92 4.078 4.608 -0.530 1
1 883 . 4 1 1 A 92 92 SER CA C 92 59.779 57.459 2.320 1
1 884 . 4 1 1 A 92 92 SER CB C 92 65.161 64.453 0.708 1
1 885 . 4 1 1 A 92 92 SER N N 92 112.753 115.997 -3.244 1
1 886 . 4 1 1 A 93 93 CYS H H 93 9.001 8.603 0.398 1
1 887 . 4 1 1 A 93 93 CYS HA H 93 3.617 4.987 -1.370 1
1 890 . 4 1 1 A 93 93 CYS CA C 93 59.953 58.675 1.278 1
1 891 . 4 1 1 A 93 93 CYS CB C 93 25.176 30.155 -4.979 1
1 892 . 4 1 1 A 93 93 CYS N N 93 119.159 119.569 -0.410 1
1 893 . 4 1 1 A 94 94 GLY H H 94 8.795 8.688 0.107 1
1 894 . 4 1 1 A 94 94 GLY HA2 H 94 4.063 3.518 0.545 1
1 895 . 4 1 1 A 94 94 GLY HA3 H 94 3.503 3.705 -0.202 1
1 896 . 4 1 1 A 94 94 GLY CA C 94 46.150 45.785 0.365 1
1 897 . 4 1 1 A 94 94 GLY N N 94 105.924 113.055 -7.131 1
1 898 . 4 1 1 A 95 95 TYR H H 95 8.144 8.013 0.131 1
1 899 . 4 1 1 A 95 95 TYR HA H 95 5.743 5.012 0.731 1
1 906 . 4 1 1 A 95 95 TYR CA C 95 54.818 56.174 -1.356 1
1 907 . 4 1 1 A 95 95 TYR CB C 95 41.503 43.135 -1.632 1
1 912 . 4 1 1 A 95 95 TYR N N 95 118.757 118.524 0.233 1
1 913 . 4 1 1 A 96 96 VAL H H 96 8.280 8.431 -0.151 1
1 914 . 4 1 1 A 96 96 VAL HA H 96 4.082 4.924 -0.842 1
1 922 . 4 1 1 A 96 96 VAL CA C 96 62.593 59.971 2.622 1
1 923 . 4 1 1 A 96 96 VAL CB C 96 34.676 35.982 -1.306 1
1 926 . 4 1 1 A 96 96 VAL N N 96 117.579 116.746 0.833 1
1 927 . 4 1 1 A 97 97 TYR H H 97 9.171 9.109 0.062 1
1 928 . 4 1 1 A 97 97 TYR HA H 97 4.987 5.395 -0.408 1
1 935 . 4 1 1 A 97 97 TYR CA C 97 57.046 56.105 0.941 1
1 936 . 4 1 1 A 97 97 TYR CB C 97 39.334 41.583 -2.249 1
1 941 . 4 1 1 A 97 97 TYR N N 97 129.228 122.592 6.636 1
1 942 . 4 1 1 A 98 98 ILE H H 98 8.739 8.919 -0.180 1
1 943 . 4 1 1 A 98 98 ILE HA H 98 6.098 5.180 0.918 1
1 953 . 4 1 1 A 98 98 ILE CA C 98 57.878 59.390 -1.512 1
1 954 . 4 1 1 A 98 98 ILE CB C 98 43.028 42.593 0.435 1
1 958 . 4 1 1 A 98 98 ILE N N 98 112.588 117.615 -5.027 1
1 959 . 4 1 1 A 99 99 ALA H H 99 8.867 8.363 0.504 1
1 960 . 4 1 1 A 99 99 ALA HA H 99 5.507 5.290 0.217 1
1 964 . 4 1 1 A 99 99 ALA CA C 99 51.757 51.063 0.694 1
1 965 . 4 1 1 A 99 99 ALA CB C 99 21.801 24.018 -2.217 1
1 966 . 4 1 1 A 99 99 ALA N N 99 124.370 123.515 0.855 1
1 967 . 4 1 1 A 100 100 VAL H H 100 9.706 8.145 1.561 1
1 968 . 4 1 1 A 100 100 VAL HA H 100 5.238 4.754 0.484 1
1 976 . 4 1 1 A 100 100 VAL CA C 100 60.077 61.028 -0.951 1
1 977 . 4 1 1 A 100 100 VAL CB C 100 34.166 34.599 -0.433 1
1 980 . 4 1 1 A 100 100 VAL N N 100 122.354 120.149 2.205 1
1 981 . 4 1 1 A 101 101 TYR H H 101 8.833 8.441 0.392 1
1 982 . 4 1 1 A 101 101 TYR HA H 101 5.529 5.298 0.231 1
1 985 . 4 1 1 A 101 101 TYR CA C 101 54.118 55.544 -1.426 1
1 986 . 4 1 1 A 101 101 TYR CB C 101 37.597 40.316 -2.719 1
1 987 . 4 1 1 A 101 101 TYR N N 101 123.413 123.361 0.052 1
1 988 . 4 1 1 A 102 102 PRO HA H 102 4.198 4.849 -0.651 1
1 993 . 4 1 1 A 102 102 PRO CA C 102 61.976 63.290 -1.314 1
1 994 . 4 1 1 A 102 102 PRO CB C 102 31.325 32.740 -1.415 1
1 996 . 4 1 1 A 103 103 THR H H 103 8.740 8.314 0.426 1
1 997 . 4 1 1 A 103 103 THR HA H 103 3.983 4.598 -0.615 1
1 1002 . 4 1 1 A 103 103 THR CA C 103 64.447 60.787 3.660 1
1 1003 . 4 1 1 A 103 103 THR CB C 103 68.595 69.991 -1.396 1
1 1005 . 4 1 1 A 103 103 THR N N 103 122.463 112.570 9.893 1
1 1006 . 4 1 1 A 104 104 GLN H H 104 8.672 8.579 0.093 1
1 1007 . 4 1 1 A 104 104 GLN HA H 104 4.309 4.361 -0.052 1
1 1010 . 4 1 1 A 104 104 GLN CA C 104 54.989 54.560 0.429 1
1 1011 . 4 1 1 A 104 104 GLN CB C 104 29.277 27.950 1.327 1
1 1012 . 4 1 1 A 104 104 GLN N N 104 123.452 124.530 -1.078 1
1 1 . 5 1 1 A 3 3 ASN HA H 3 4.740 4.943 -0.203 1
1 4 . 5 1 1 A 3 3 ASN CA C 3 52.719 52.531 0.188 1
1 5 . 5 1 1 A 3 3 ASN CB C 3 38.344 37.090 1.254 1
1 6 . 5 1 1 A 4 4 THR H H 4 8.142 7.216 0.926 1
1 7 . 5 1 1 A 4 4 THR HA H 4 4.059 3.968 0.091 1
1 12 . 5 1 1 A 4 4 THR CA C 4 61.542 62.908 -1.366 1
1 13 . 5 1 1 A 4 4 THR CB C 4 69.257 67.955 1.302 1
1 15 . 5 1 1 A 4 4 THR N N 4 116.100 115.702 0.398 1
1 16 . 5 1 1 A 5 5 THR H H 5 7.898 8.058 -0.160 1
1 17 . 5 1 1 A 5 5 THR HA H 5 4.167 4.883 -0.716 1
1 22 . 5 1 1 A 5 5 THR CA C 5 60.219 60.242 -0.023 1
1 23 . 5 1 1 A 5 5 THR CB C 5 69.457 71.562 -2.105 1
1 25 . 5 1 1 A 5 5 THR N N 5 117.796 115.538 2.258 1
1 26 . 5 1 1 A 6 6 TRP H H 6 8.248 8.431 -0.183 1
1 27 . 5 1 1 A 6 6 TRP HA H 6 4.608 4.871 -0.263 1
1 36 . 5 1 1 A 6 6 TRP CA C 6 55.971 57.329 -1.358 1
1 37 . 5 1 1 A 6 6 TRP CB C 6 32.251 31.050 1.201 1
1 43 . 5 1 1 A 6 6 TRP N N 6 123.584 124.665 -1.081 1
1 45 . 5 1 1 A 7 7 GLY H H 7 8.590 8.504 0.086 1
1 46 . 5 1 1 A 7 7 GLY HA2 H 7 4.668 4.172 0.496 1
1 47 . 5 1 1 A 7 7 GLY HA3 H 7 3.904 4.173 -0.269 1
1 48 . 5 1 1 A 7 7 GLY CA C 7 44.451 44.352 0.099 1
1 49 . 5 1 1 A 7 7 GLY N N 7 103.966 111.564 -7.598 1
1 50 . 5 1 1 A 8 8 LEU H H 8 6.805 8.658 -1.853 1
1 51 . 5 1 1 A 8 8 LEU HA H 8 4.204 4.134 0.070 1
1 60 . 5 1 1 A 8 8 LEU CA C 8 53.799 55.523 -1.724 1
1 61 . 5 1 1 A 8 8 LEU CB C 8 42.762 42.032 0.730 1
1 62 . 5 1 1 A 8 8 LEU N N 8 119.119 122.178 -3.059 1
1 63 . 5 1 1 A 9 9 GLN H H 9 9.078 8.402 0.676 1
1 64 . 5 1 1 A 9 9 GLN HA H 9 4.105 4.679 -0.574 1
1 69 . 5 1 1 A 9 9 GLN CA C 9 55.604 55.440 0.164 1
1 70 . 5 1 1 A 9 9 GLN CB C 9 26.867 29.220 -2.353 1
1 71 . 5 1 1 A 9 9 GLN N N 9 124.351 122.572 1.779 1
1 72 . 5 1 1 A 10 10 ARG H H 10 6.912 8.397 -1.485 1
1 73 . 5 1 1 A 10 10 ARG HA H 10 4.536 4.829 -0.293 1
1 80 . 5 1 1 A 10 10 ARG CA C 10 51.817 54.289 -2.472 1
1 81 . 5 1 1 A 10 10 ARG CB C 10 34.485 33.529 0.956 1
1 83 . 5 1 1 A 10 10 ARG N N 10 125.940 122.671 3.269 1
1 84 . 5 1 1 A 11 11 ASP H H 11 8.544 8.922 -0.378 1
1 85 . 5 1 1 A 11 11 ASP HA H 11 4.633 4.344 0.289 1
1 88 . 5 1 1 A 11 11 ASP CA C 11 52.853 57.308 -4.455 1
1 89 . 5 1 1 A 11 11 ASP CB C 11 39.641 40.532 -0.891 1
1 90 . 5 1 1 A 11 11 ASP N N 11 121.026 123.204 -2.178 1
1 91 . 5 1 1 A 12 12 ILE H H 12 6.828 7.555 -0.727 1
1 92 . 5 1 1 A 12 12 ILE HA H 12 3.890 4.235 -0.345 1
1 102 . 5 1 1 A 12 12 ILE CA C 12 60.042 60.749 -0.707 1
1 103 . 5 1 1 A 12 12 ILE CB C 12 40.957 38.843 2.114 1
1 107 . 5 1 1 A 12 12 ILE N N 12 120.620 115.826 4.794 1
1 108 . 5 1 1 A 13 13 THR H H 13 7.910 8.835 -0.925 1
1 109 . 5 1 1 A 13 13 THR HA H 13 4.330 4.069 0.261 1
1 114 . 5 1 1 A 13 13 THR CB C 13 70.524 67.958 2.566 1
1 115 . 5 1 1 A 13 13 THR N N 13 118.106 118.201 -0.095 1
1 116 . 5 1 1 A 14 14 PRO HA H 14 4.884 4.323 0.561 1
1 122 . 5 1 1 A 14 14 PRO CA C 14 61.777 66.023 -4.246 1
1 123 . 5 1 1 A 14 14 PRO CB C 14 33.621 31.346 2.275 1
1 125 . 5 1 1 A 15 15 ARG H H 15 8.312 8.192 0.120 1
1 126 . 5 1 1 A 15 15 ARG HA H 15 5.484 4.825 0.659 1
1 131 . 5 1 1 A 15 15 ARG CA C 15 54.493 55.521 -1.028 1
1 132 . 5 1 1 A 15 15 ARG CB C 15 33.621 32.056 1.565 1
1 133 . 5 1 1 A 15 15 ARG N N 15 111.571 118.204 -6.633 1
1 134 . 5 1 1 A 16 16 LEU H H 16 9.729 8.990 0.739 1
1 135 . 5 1 1 A 16 16 LEU HA H 16 5.329 5.238 0.091 1
1 144 . 5 1 1 A 16 16 LEU CA C 16 53.650 53.698 -0.048 1
1 145 . 5 1 1 A 16 16 LEU CB C 16 44.521 45.705 -1.184 1
1 148 . 5 1 1 A 16 16 LEU N N 16 125.998 124.871 1.127 1
1 149 . 5 1 1 A 17 17 GLY H H 17 9.504 9.120 0.384 1
1 150 . 5 1 1 A 17 17 GLY HA2 H 17 5.346 4.238 1.108 1
1 151 . 5 1 1 A 17 17 GLY HA3 H 17 4.211 4.248 -0.037 1
1 152 . 5 1 1 A 17 17 GLY CA C 17 43.759 44.284 -0.525 1
1 153 . 5 1 1 A 17 17 GLY N N 17 114.627 113.537 1.090 1
1 154 . 5 1 1 A 18 18 ALA H H 18 7.733 8.263 -0.530 1
1 155 . 5 1 1 A 18 18 ALA HA H 18 5.244 5.163 0.081 1
1 159 . 5 1 1 A 18 18 ALA CA C 18 51.532 51.626 -0.094 1
1 160 . 5 1 1 A 18 18 ALA CB C 18 22.204 23.025 -0.821 1
1 161 . 5 1 1 A 18 18 ALA N N 18 119.712 122.940 -3.228 1
1 162 . 5 1 1 A 19 19 ARG H H 19 8.363 8.846 -0.483 1
1 163 . 5 1 1 A 19 19 ARG HA H 19 4.632 5.294 -0.662 1
1 166 . 5 1 1 A 19 19 ARG CA C 19 54.915 54.658 0.257 1
1 167 . 5 1 1 A 19 19 ARG CB C 19 31.971 33.849 -1.878 1
1 168 . 5 1 1 A 19 19 ARG N N 19 122.423 122.621 -0.198 1
1 169 . 5 1 1 A 20 20 LEU H H 20 9.540 8.584 0.956 1
1 170 . 5 1 1 A 20 20 LEU HA H 20 4.703 5.204 -0.501 1
1 179 . 5 1 1 A 20 20 LEU CA C 20 54.103 53.324 0.779 1
1 180 . 5 1 1 A 20 20 LEU CB C 20 42.688 45.114 -2.426 1
1 183 . 5 1 1 A 20 20 LEU N N 20 130.686 124.823 5.863 1
1 184 . 5 1 1 A 21 21 VAL H H 21 8.352 8.859 -0.507 1
1 185 . 5 1 1 A 21 21 VAL HA H 21 4.346 4.550 -0.204 1
1 193 . 5 1 1 A 21 21 VAL CA C 21 61.817 61.025 0.792 1
1 194 . 5 1 1 A 21 21 VAL CB C 21 33.976 34.337 -0.361 1
1 197 . 5 1 1 A 21 21 VAL N N 21 120.930 122.694 -1.764 1
1 198 . 5 1 1 A 22 22 GLN H H 22 8.319 8.746 -0.427 1
1 199 . 5 1 1 A 22 22 GLN HA H 22 4.646 4.519 0.127 1
1 204 . 5 1 1 A 22 22 GLN CA C 22 54.818 55.639 -0.821 1
1 205 . 5 1 1 A 22 22 GLN CB C 22 29.251 29.538 -0.287 1
1 206 . 5 1 1 A 22 22 GLN N N 22 127.936 127.001 0.935 1
1 207 . 5 1 1 A 23 23 GLU H H 23 8.667 8.744 -0.077 1
1 208 . 5 1 1 A 23 23 GLU HA H 23 4.370 4.543 -0.173 1
1 211 . 5 1 1 A 23 23 GLU CA C 23 54.495 55.625 -1.130 1
1 212 . 5 1 1 A 23 23 GLU CB C 23 30.618 31.304 -0.686 1
1 213 . 5 1 1 A 23 23 GLU N N 23 129.097 125.521 3.576 1
1 214 . 5 1 1 A 24 24 GLY H H 24 8.949 8.992 -0.043 1
1 215 . 5 1 1 A 24 24 GLY HA2 H 24 3.879 3.948 -0.069 1
1 216 . 5 1 1 A 24 24 GLY HA3 H 24 3.543 3.980 -0.437 1
1 217 . 5 1 1 A 24 24 GLY CA C 24 46.645 44.996 1.649 1
1 218 . 5 1 1 A 24 24 GLY N N 24 117.894 116.980 0.914 1
1 219 . 5 1 1 A 25 25 ASN H H 25 8.747 8.693 0.054 1
1 220 . 5 1 1 A 25 25 ASN HA H 25 4.700 4.817 -0.117 1
1 223 . 5 1 1 A 25 25 ASN CA C 25 52.331 53.236 -0.905 1
1 224 . 5 1 1 A 25 25 ASN CB C 25 37.827 39.107 -1.280 1
1 225 . 5 1 1 A 25 25 ASN N N 25 124.981 121.020 3.961 1
1 226 . 5 1 1 A 26 26 GLN H H 26 7.811 7.472 0.339 1
1 227 . 5 1 1 A 26 26 GLN HA H 26 4.498 4.915 -0.417 1
1 232 . 5 1 1 A 26 26 GLN CA C 26 53.969 54.921 -0.952 1
1 233 . 5 1 1 A 26 26 GLN CB C 26 31.577 32.152 -0.575 1
1 235 . 5 1 1 A 26 26 GLN N N 26 117.634 119.887 -2.253 1
1 236 . 5 1 1 A 27 27 LEU H H 27 9.306 8.950 0.356 1
1 237 . 5 1 1 A 27 27 LEU HA H 27 4.973 5.059 -0.086 1
1 246 . 5 1 1 A 27 27 LEU CA C 27 52.106 53.610 -1.504 1
1 247 . 5 1 1 A 27 27 LEU CB C 27 44.645 43.908 0.737 1
1 250 . 5 1 1 A 27 27 LEU N N 27 121.896 127.443 -5.547 1
1 251 . 5 1 1 A 28 28 HIS H H 28 8.998 9.273 -0.275 1
1 252 . 5 1 1 A 28 28 HIS HA H 28 4.860 5.173 -0.313 1
1 255 . 5 1 1 A 28 28 HIS CA C 28 53.461 54.470 -1.009 1
1 256 . 5 1 1 A 28 28 HIS CB C 28 30.884 30.805 0.079 1
1 257 . 5 1 1 A 28 28 HIS N N 28 119.141 123.244 -4.103 1
1 258 . 5 1 1 A 29 29 TYR H H 29 8.811 9.073 -0.262 1
1 259 . 5 1 1 A 29 29 TYR HA H 29 4.571 4.932 -0.361 1
1 266 . 5 1 1 A 29 29 TYR CA C 29 56.308 56.782 -0.474 1
1 267 . 5 1 1 A 29 29 TYR CB C 29 38.935 40.008 -1.073 1
1 272 . 5 1 1 A 29 29 TYR N N 29 124.729 125.538 -0.809 1
1 273 . 5 1 1 A 30 30 LEU H H 30 8.677 8.568 0.109 1
1 274 . 5 1 1 A 30 30 LEU HA H 30 4.275 4.539 -0.264 1
1 283 . 5 1 1 A 30 30 LEU CA C 30 52.463 53.855 -1.392 1
1 284 . 5 1 1 A 30 30 LEU CB C 30 42.668 41.361 1.307 1
1 287 . 5 1 1 A 30 30 LEU N N 30 131.620 129.510 2.110 1
1 288 . 5 1 1 A 31 31 ALA H H 31 8.503 8.794 -0.291 1
1 289 . 5 1 1 A 31 31 ALA HA H 31 3.606 3.804 -0.198 1
1 293 . 5 1 1 A 31 31 ALA CA C 31 54.068 55.225 -1.157 1
1 294 . 5 1 1 A 31 31 ALA CB C 31 17.576 18.288 -0.712 1
1 295 . 5 1 1 A 31 31 ALA N N 31 128.548 127.671 0.877 1
1 296 . 5 1 1 A 32 32 ASP H H 32 8.102 8.183 -0.081 1
1 297 . 5 1 1 A 32 32 ASP HA H 32 4.531 4.395 0.136 1
1 300 . 5 1 1 A 32 32 ASP CA C 32 53.266 56.208 -2.942 1
1 301 . 5 1 1 A 32 32 ASP CB C 32 38.572 40.279 -1.707 1
1 302 . 5 1 1 A 32 32 ASP N N 32 111.569 117.922 -6.353 1
1 303 . 5 1 1 A 33 33 ARG H H 33 7.346 7.311 0.035 1
1 304 . 5 1 1 A 33 33 ARG HA H 33 2.688 3.890 -1.202 1
1 309 . 5 1 1 A 33 33 ARG CA C 33 51.257 54.911 -3.654 1
1 310 . 5 1 1 A 33 33 ARG CB C 33 28.426 28.956 -0.530 1
1 311 . 5 1 1 A 33 33 ARG N N 33 122.483 118.753 3.730 1
1 312 . 5 1 1 A 34 34 ALA H H 34 6.661 7.619 -0.958 1
1 313 . 5 1 1 A 34 34 ALA HA H 34 5.275 4.789 0.486 1
1 317 . 5 1 1 A 34 34 ALA CA C 34 50.673 52.109 -1.436 1
1 318 . 5 1 1 A 34 34 ALA CB C 34 23.479 22.233 1.246 1
1 319 . 5 1 1 A 34 34 ALA N N 34 120.854 124.448 -3.594 1
1 320 . 5 1 1 A 35 35 SER H H 35 9.494 8.894 0.600 1
1 321 . 5 1 1 A 35 35 SER HA H 35 4.962 4.871 0.091 1
1 324 . 5 1 1 A 35 35 SER CA C 35 57.438 57.760 -0.322 1
1 325 . 5 1 1 A 35 35 SER CB C 35 66.260 63.915 2.345 1
1 326 . 5 1 1 A 35 35 SER N N 35 114.094 118.140 -4.046 1
1 327 . 5 1 1 A 36 36 ILE H H 36 8.989 8.627 0.362 1
1 328 . 5 1 1 A 36 36 ILE HA H 36 5.199 4.701 0.498 1
1 338 . 5 1 1 A 36 36 ILE CA C 36 59.982 61.149 -1.167 1
1 339 . 5 1 1 A 36 36 ILE CB C 36 39.235 38.439 0.796 1
1 343 . 5 1 1 A 36 36 ILE N N 36 125.993 126.199 -0.206 1
1 344 . 5 1 1 A 37 37 THR H H 37 9.107 8.673 0.434 1
1 345 . 5 1 1 A 37 37 THR HA H 37 4.478 4.914 -0.436 1
1 350 . 5 1 1 A 37 37 THR CA C 37 62.063 59.838 2.225 1
1 351 . 5 1 1 A 37 37 THR CB C 37 69.419 71.788 -2.369 1
1 352 . 5 1 1 A 37 37 THR N N 37 126.763 116.988 9.775 1
1 353 . 5 1 1 A 38 38 GLY H H 38 8.546 8.553 -0.007 1
1 354 . 5 1 1 A 38 38 GLY HA2 H 38 3.556 3.757 -0.201 1
1 355 . 5 1 1 A 38 38 GLY HA3 H 38 3.968 3.851 0.117 1
1 356 . 5 1 1 A 38 38 GLY CA C 38 43.487 45.310 -1.823 1
1 357 . 5 1 1 A 38 38 GLY N N 38 113.541 110.747 2.794 1
1 358 . 5 1 1 A 39 39 LYS H H 39 8.131 7.960 0.171 1
1 359 . 5 1 1 A 39 39 LYS HA H 39 4.511 4.678 -0.167 1
1 366 . 5 1 1 A 39 39 LYS CA C 39 54.562 55.151 -0.589 1
1 367 . 5 1 1 A 39 39 LYS CB C 39 34.646 36.462 -1.816 1
1 370 . 5 1 1 A 39 39 LYS N N 39 119.477 120.956 -1.479 1
1 371 . 5 1 1 A 40 40 PHE H H 40 8.739 9.156 -0.417 1
1 372 . 5 1 1 A 40 40 PHE HA H 40 4.482 5.011 -0.529 1
1 380 . 5 1 1 A 40 40 PHE CA C 40 58.592 56.904 1.688 1
1 381 . 5 1 1 A 40 40 PHE CB C 40 39.593 41.276 -1.683 1
1 387 . 5 1 1 A 40 40 PHE N N 40 125.875 125.527 0.348 1
1 388 . 5 1 1 A 41 41 SER H H 41 9.825 8.950 0.875 1
1 389 . 5 1 1 A 41 41 SER HA H 41 4.484 4.560 -0.076 1
1 392 . 5 1 1 A 41 41 SER CA C 41 57.383 58.850 -1.467 1
1 393 . 5 1 1 A 41 41 SER CB C 41 64.570 64.307 0.263 1
1 394 . 5 1 1 A 41 41 SER N N 41 120.297 120.448 -0.151 1
1 395 . 5 1 1 A 42 42 ASP H H 42 8.944 9.026 -0.082 1
1 396 . 5 1 1 A 42 42 ASP HA H 42 4.493 4.281 0.212 1
1 399 . 5 1 1 A 42 42 ASP CA C 42 57.068 56.931 0.137 1
1 400 . 5 1 1 A 42 42 ASP CB C 42 39.471 40.364 -0.893 1
1 401 . 5 1 1 A 42 42 ASP N N 42 121.339 124.080 -2.741 1
1 402 . 5 1 1 A 43 43 ALA H H 43 8.071 7.816 0.255 1
1 403 . 5 1 1 A 43 43 ALA HA H 43 4.254 4.203 0.051 1
1 407 . 5 1 1 A 43 43 ALA CA C 43 53.245 53.114 0.131 1
1 408 . 5 1 1 A 43 43 ALA CB C 43 18.716 19.238 -0.522 1
1 409 . 5 1 1 A 43 43 ALA N N 43 119.592 120.028 -0.436 1
1 410 . 5 1 1 A 44 44 GLU H H 44 7.860 8.025 -0.165 1
1 411 . 5 1 1 A 44 44 GLU HA H 44 4.164 4.528 -0.364 1
1 414 . 5 1 1 A 44 44 GLU CA C 44 57.748 56.995 0.753 1
1 415 . 5 1 1 A 44 44 GLU CB C 44 30.832 30.766 0.066 1
1 416 . 5 1 1 A 44 44 GLU N N 44 117.391 116.524 0.867 1
1 417 . 5 1 1 A 45 45 CYS H H 45 8.212 8.720 -0.508 1
1 418 . 5 1 1 A 45 45 CYS HA H 45 4.010 4.091 -0.081 1
1 421 . 5 1 1 A 45 45 CYS CA C 45 65.262 63.545 1.717 1
1 422 . 5 1 1 A 45 45 CYS CB C 45 24.356 26.471 -2.115 1
1 423 . 5 1 1 A 45 45 CYS N N 45 117.475 120.431 -2.956 1
1 424 . 5 1 1 A 46 46 PRO HA H 46 4.406 4.226 0.180 1
1 427 . 5 1 1 A 46 46 PRO CA C 46 64.575 66.219 -1.644 1
1 428 . 5 1 1 A 46 46 PRO CB C 46 30.339 30.841 -0.502 1
1 429 . 5 1 1 A 47 47 LYS H H 47 6.825 8.402 -1.577 1
1 430 . 5 1 1 A 47 47 LYS HA H 47 4.032 4.048 -0.016 1
1 437 . 5 1 1 A 47 47 LYS CA C 47 57.897 58.911 -1.014 1
1 438 . 5 1 1 A 47 47 LYS CB C 47 32.303 31.852 0.451 1
1 440 . 5 1 1 A 47 47 LYS N N 47 116.096 118.103 -2.007 1
1 441 . 5 1 1 A 48 48 LEU H H 48 7.980 7.834 0.146 1
1 442 . 5 1 1 A 48 48 LEU HA H 48 3.252 3.896 -0.644 1
1 451 . 5 1 1 A 48 48 LEU CA C 48 57.086 57.686 -0.600 1
1 452 . 5 1 1 A 48 48 LEU CB C 48 40.525 41.659 -1.134 1
1 455 . 5 1 1 A 48 48 LEU N N 48 122.611 121.994 0.617 1
1 456 . 5 1 1 A 49 49 ASP H H 49 7.219 7.946 -0.727 1
1 457 . 5 1 1 A 49 49 ASP HA H 49 4.221 4.433 -0.212 1
1 460 . 5 1 1 A 49 49 ASP CA C 49 56.273 56.921 -0.648 1
1 461 . 5 1 1 A 49 49 ASP CB C 49 40.150 40.472 -0.322 1
1 462 . 5 1 1 A 49 49 ASP N N 49 115.153 119.335 -4.182 1
1 463 . 5 1 1 A 50 50 VAL H H 50 7.057 7.516 -0.459 1
1 464 . 5 1 1 A 50 50 VAL HA H 50 3.921 3.648 0.273 1
1 472 . 5 1 1 A 50 50 VAL CA C 50 63.679 66.410 -2.731 1
1 473 . 5 1 1 A 50 50 VAL CB C 50 32.269 31.708 0.561 1
1 476 . 5 1 1 A 50 50 VAL N N 50 115.474 121.057 -5.583 1
1 477 . 5 1 1 A 51 51 VAL H H 51 8.071 7.575 0.496 1
1 478 . 5 1 1 A 51 51 VAL HA H 51 3.805 3.720 0.085 1
1 486 . 5 1 1 A 51 51 VAL CA C 51 63.650 65.318 -1.668 1
1 487 . 5 1 1 A 51 51 VAL CB C 51 31.130 31.596 -0.466 1
1 490 . 5 1 1 A 51 51 VAL N N 51 116.526 120.668 -4.142 1
1 491 . 5 1 1 A 52 52 PHE H H 52 8.203 7.952 0.251 1
1 492 . 5 1 1 A 52 52 PHE HA H 52 4.382 4.293 0.089 1
1 497 . 5 1 1 A 52 52 PHE CA C 52 63.038 62.606 0.432 1
1 498 . 5 1 1 A 52 52 PHE CB C 52 36.263 37.202 -0.939 1
1 501 . 5 1 1 A 52 52 PHE N N 52 121.336 121.805 -0.469 1
1 502 . 5 1 1 A 53 53 PRO HA H 53 3.930 4.249 -0.319 1
1 507 . 5 1 1 A 53 53 PRO CA C 53 65.098 65.317 -0.219 1
1 508 . 5 1 1 A 53 53 PRO CB C 53 30.053 30.997 -0.944 1
1 509 . 5 1 1 A 54 54 HIS H H 54 6.741 7.617 -0.876 1
1 510 . 5 1 1 A 54 54 HIS HA H 54 4.041 4.097 -0.056 1
1 513 . 5 1 1 A 54 54 HIS CA C 54 59.100 59.422 -0.322 1
1 514 . 5 1 1 A 54 54 HIS CB C 54 28.478 30.162 -1.684 1
1 515 . 5 1 1 A 54 54 HIS N N 54 116.851 118.435 -1.584 1
1 516 . 5 1 1 A 55 55 PHE H H 55 7.902 7.548 0.354 1
1 517 . 5 1 1 A 55 55 PHE HA H 55 4.230 4.147 0.083 1
1 522 . 5 1 1 A 55 55 PHE CA C 55 59.471 61.615 -2.144 1
1 523 . 5 1 1 A 55 55 PHE CB C 55 37.210 38.605 -1.395 1
1 526 . 5 1 1 A 55 55 PHE N N 55 118.222 116.978 1.244 1
1 527 . 5 1 1 A 56 56 ILE H H 56 7.812 7.395 0.417 1
1 528 . 5 1 1 A 56 56 ILE HA H 56 3.176 3.576 -0.400 1
1 538 . 5 1 1 A 56 56 ILE CA C 56 64.446 64.316 0.130 1
1 539 . 5 1 1 A 56 56 ILE CB C 56 35.405 37.071 -1.666 1
1 542 . 5 1 1 A 56 56 ILE N N 56 117.686 119.927 -2.241 1
1 543 . 5 1 1 A 57 57 SER H H 57 7.660 9.154 -1.494 1
1 544 . 5 1 1 A 57 57 SER HA H 57 4.230 4.039 0.191 1
1 547 . 5 1 1 A 57 57 SER CA C 57 60.942 61.270 -0.328 1
1 548 . 5 1 1 A 57 57 SER CB C 57 62.062 62.081 -0.019 1
1 549 . 5 1 1 A 57 57 SER N N 57 113.709 115.136 -1.427 1
1 550 . 5 1 1 A 58 58 GLN H H 58 7.830 7.266 0.564 1
1 551 . 5 1 1 A 58 58 GLN HA H 58 3.934 4.039 -0.105 1
1 554 . 5 1 1 A 58 58 GLN CA C 58 58.232 58.484 -0.252 1
1 555 . 5 1 1 A 58 58 GLN CB C 58 28.502 28.457 0.045 1
1 556 . 5 1 1 A 58 58 GLN N N 58 121.550 120.524 1.026 1
1 557 . 5 1 1 A 59 59 ILE H H 59 8.482 8.323 0.159 1
1 558 . 5 1 1 A 59 59 ILE HA H 59 3.434 3.592 -0.158 1
1 568 . 5 1 1 A 59 59 ILE CA C 59 65.096 65.449 -0.353 1
1 569 . 5 1 1 A 59 59 ILE CB C 59 36.901 37.553 -0.652 1
1 572 . 5 1 1 A 59 59 ILE N N 59 121.796 120.127 1.669 1
1 573 . 5 1 1 A 60 60 GLU H H 60 8.450 9.335 -0.885 1
1 574 . 5 1 1 A 60 60 GLU HA H 60 3.705 3.949 -0.244 1
1 579 . 5 1 1 A 60 60 GLU CA C 60 59.896 59.894 0.002 1
1 580 . 5 1 1 A 60 60 GLU CB C 60 29.133 29.299 -0.166 1
1 581 . 5 1 1 A 60 60 GLU N N 60 119.765 121.069 -1.304 1
1 582 . 5 1 1 A 61 61 SER H H 61 7.815 7.790 0.025 1
1 583 . 5 1 1 A 61 61 SER HA H 61 4.226 4.278 -0.052 1
1 586 . 5 1 1 A 61 61 SER CA C 61 61.382 61.333 0.049 1
1 587 . 5 1 1 A 61 61 SER N N 61 114.979 115.872 -0.893 1
1 588 . 5 1 1 A 62 62 MET H H 62 7.878 7.870 0.008 1
1 589 . 5 1 1 A 62 62 MET HA H 62 4.390 4.136 0.254 1
1 595 . 5 1 1 A 62 62 MET CA C 62 58.334 58.202 0.132 1
1 596 . 5 1 1 A 62 62 MET CB C 62 33.326 32.059 1.267 1
1 597 . 5 1 1 A 62 62 MET N N 62 120.947 120.617 0.330 1
1 598 . 5 1 1 A 63 63 LEU H H 63 8.179 7.993 0.186 1
1 599 . 5 1 1 A 63 63 LEU HA H 63 4.333 3.971 0.362 1
1 609 . 5 1 1 A 63 63 LEU CA C 63 56.920 57.782 -0.862 1
1 610 . 5 1 1 A 63 63 LEU CB C 63 40.871 41.747 -0.876 1
1 613 . 5 1 1 A 63 63 LEU N N 63 121.156 119.804 1.352 1
1 614 . 5 1 1 A 64 64 THR H H 64 7.913 7.369 0.544 1
1 615 . 5 1 1 A 64 64 THR HA H 64 3.980 4.122 -0.142 1
1 620 . 5 1 1 A 64 64 THR CA C 64 65.633 64.847 0.786 1
1 621 . 5 1 1 A 64 64 THR CB C 64 68.205 68.711 -0.506 1
1 622 . 5 1 1 A 64 64 THR N N 64 116.077 110.776 5.301 1
1 623 . 5 1 1 A 65 65 THR H H 65 8.138 9.126 -0.988 1
1 624 . 5 1 1 A 65 65 THR HA H 65 4.224 3.961 0.263 1
1 629 . 5 1 1 A 65 65 THR CA C 65 62.390 66.517 -4.127 1
1 630 . 5 1 1 A 65 65 THR CB C 65 69.153 67.886 1.267 1
1 632 . 5 1 1 A 65 65 THR N N 65 110.012 116.980 -6.968 1
1 633 . 5 1 1 A 66 66 GLY H H 66 7.529 8.232 -0.703 1
1 634 . 5 1 1 A 66 66 GLY HA2 H 66 4.300 4.030 0.270 1
1 635 . 5 1 1 A 66 66 GLY HA3 H 66 3.771 4.031 -0.260 1
1 636 . 5 1 1 A 66 66 GLY CA C 66 44.829 46.517 -1.688 1
1 637 . 5 1 1 A 66 66 GLY N N 66 108.759 108.224 0.535 1
1 638 . 5 1 1 A 67 67 GLU H H 67 8.480 8.686 -0.206 1
1 639 . 5 1 1 A 67 67 GLU HA H 67 3.920 4.495 -0.575 1
1 644 . 5 1 1 A 67 67 GLU CA C 67 59.013 56.838 2.175 1
1 645 . 5 1 1 A 67 67 GLU CB C 67 30.042 29.680 0.362 1
1 647 . 5 1 1 A 67 67 GLU N N 67 123.262 124.865 -1.603 1
1 648 . 5 1 1 A 68 68 LEU H H 68 7.137 8.687 -1.550 1
1 649 . 5 1 1 A 68 68 LEU HA H 68 4.545 4.647 -0.102 1
1 659 . 5 1 1 A 68 68 LEU CA C 68 52.955 55.274 -2.319 1
1 660 . 5 1 1 A 68 68 LEU CB C 68 45.377 43.208 2.169 1
1 663 . 5 1 1 A 68 68 LEU N N 68 115.782 129.832 -14.050 1
1 664 . 5 1 1 A 69 69 ASN H H 69 9.102 8.503 0.599 1
1 665 . 5 1 1 A 69 69 ASN HA H 69 5.125 5.167 -0.042 1
1 668 . 5 1 1 A 69 69 ASN CA C 69 49.347 49.641 -0.294 1
1 669 . 5 1 1 A 69 69 ASN CB C 69 41.313 40.108 1.205 1
1 670 . 5 1 1 A 69 69 ASN N N 69 121.546 123.573 -2.027 1
1 671 . 5 1 1 A 70 70 PRO HA H 70 4.479 4.217 0.262 1
1 678 . 5 1 1 A 70 70 PRO CA C 70 64.544 66.142 -1.598 1
1 679 . 5 1 1 A 70 70 PRO CB C 70 33.813 31.412 2.401 1
1 681 . 5 1 1 A 71 71 ARG H H 71 7.981 7.914 0.067 1
1 682 . 5 1 1 A 71 71 ARG HA H 71 4.225 3.730 0.495 1
1 689 . 5 1 1 A 71 71 ARG CA C 71 55.319 58.495 -3.176 1
1 690 . 5 1 1 A 71 71 ARG CB C 71 30.545 28.097 2.448 1
1 693 . 5 1 1 A 71 71 ARG N N 71 109.539 116.129 -6.590 1
1 694 . 5 1 1 A 72 72 HIS H H 72 7.702 9.216 -1.514 1
1 695 . 5 1 1 A 72 72 HIS HA H 72 4.780 5.131 -0.351 1
1 698 . 5 1 1 A 72 72 HIS CA C 72 53.769 54.705 -0.936 1
1 699 . 5 1 1 A 72 72 HIS CB C 72 32.267 33.867 -1.600 1
1 700 . 5 1 1 A 72 72 HIS N N 72 118.028 114.219 3.809 1
1 701 . 5 1 1 A 73 73 ALA H H 73 8.586 8.561 0.025 1
1 702 . 5 1 1 A 73 73 ALA HA H 73 4.130 4.304 -0.174 1
1 706 . 5 1 1 A 73 73 ALA CA C 73 52.426 52.943 -0.517 1
1 707 . 5 1 1 A 73 73 ALA CB C 73 17.699 19.312 -1.613 1
1 708 . 5 1 1 A 73 73 ALA N N 73 127.706 125.590 2.116 1
1 709 . 5 1 1 A 74 74 GLN H H 74 9.530 8.420 1.110 1
1 710 . 5 1 1 A 74 74 GLN HA H 74 4.089 4.601 -0.512 1
1 715 . 5 1 1 A 74 74 GLN CA C 74 57.063 55.926 1.137 1
1 716 . 5 1 1 A 74 74 GLN CB C 74 29.296 30.997 -1.701 1
1 717 . 5 1 1 A 74 74 GLN N N 74 125.174 121.278 3.896 1
1 718 . 5 1 1 A 75 75 CYS H H 75 8.611 9.020 -0.409 1
1 719 . 5 1 1 A 75 75 CYS HA H 75 5.175 4.808 0.367 1
1 722 . 5 1 1 A 75 75 CYS CA C 75 57.365 59.490 -2.125 1
1 723 . 5 1 1 A 75 75 CYS CB C 75 27.393 28.591 -1.198 1
1 724 . 5 1 1 A 75 75 CYS N N 75 127.825 127.314 0.511 1
1 725 . 5 1 1 A 76 76 VAL H H 76 9.430 8.931 0.499 1
1 726 . 5 1 1 A 76 76 VAL HA H 76 4.672 4.998 -0.326 1
1 734 . 5 1 1 A 76 76 VAL CA C 76 59.670 60.367 -0.697 1
1 735 . 5 1 1 A 76 76 VAL CB C 76 33.946 35.133 -1.187 1
1 738 . 5 1 1 A 76 76 VAL N N 76 127.195 125.651 1.544 1
1 739 . 5 1 1 A 77 77 THR H H 77 8.203 9.112 -0.909 1
1 740 . 5 1 1 A 77 77 THR HA H 77 4.890 5.345 -0.455 1
1 745 . 5 1 1 A 77 77 THR CA C 77 61.623 60.857 0.766 1
1 746 . 5 1 1 A 77 77 THR CB C 77 69.561 70.504 -0.943 1
1 747 . 5 1 1 A 77 77 THR N N 77 117.773 120.354 -2.581 1
1 748 . 5 1 1 A 78 78 LEU H H 78 9.220 9.227 -0.007 1
1 749 . 5 1 1 A 78 78 LEU HA H 78 4.597 5.148 -0.551 1
1 758 . 5 1 1 A 78 78 LEU CA C 78 52.667 54.030 -1.363 1
1 759 . 5 1 1 A 78 78 LEU CB C 78 45.023 44.263 0.760 1
1 762 . 5 1 1 A 78 78 LEU N N 78 127.846 127.877 -0.031 1
1 763 . 5 1 1 A 79 79 TYR H H 79 8.739 8.531 0.208 1
1 764 . 5 1 1 A 79 79 TYR HA H 79 5.680 5.637 0.043 1
1 771 . 5 1 1 A 79 79 TYR CA C 79 55.963 55.926 0.037 1
1 772 . 5 1 1 A 79 79 TYR CB C 79 41.396 41.711 -0.315 1
1 777 . 5 1 1 A 79 79 TYR N N 79 117.451 118.327 -0.876 1
1 778 . 5 1 1 A 80 80 HIS H H 80 9.324 8.629 0.695 1
1 779 . 5 1 1 A 80 80 HIS HA H 80 4.545 4.791 -0.246 1
1 782 . 5 1 1 A 80 80 HIS CA C 80 57.781 55.376 2.405 1
1 783 . 5 1 1 A 80 80 HIS CB C 80 32.894 32.070 0.824 1
1 784 . 5 1 1 A 80 80 HIS N N 80 121.592 122.413 -0.821 1
1 785 . 5 1 1 A 81 81 ASN H H 81 8.619 7.996 0.623 1
1 786 . 5 1 1 A 81 81 ASN HA H 81 4.091 4.825 -0.734 1
1 789 . 5 1 1 A 81 81 ASN CA C 81 52.908 52.368 0.540 1
1 790 . 5 1 1 A 81 81 ASN CB C 81 37.384 39.923 -2.539 1
1 791 . 5 1 1 A 81 81 ASN N N 81 125.264 118.327 6.937 1
1 792 . 5 1 1 A 82 82 GLY H H 82 8.336 8.203 0.133 1
1 793 . 5 1 1 A 82 82 GLY HA2 H 82 4.096 3.821 0.275 1
1 794 . 5 1 1 A 82 82 GLY HA3 H 82 3.595 3.921 -0.326 1
1 795 . 5 1 1 A 82 82 GLY CA C 82 45.132 45.140 -0.008 1
1 796 . 5 1 1 A 82 82 GLY N N 82 102.719 107.739 -5.020 1
1 797 . 5 1 1 A 83 83 PHE H H 83 8.498 7.903 0.595 1
1 798 . 5 1 1 A 83 83 PHE HA H 83 5.049 4.581 0.468 1
1 803 . 5 1 1 A 83 83 PHE CA C 83 57.244 58.590 -1.346 1
1 804 . 5 1 1 A 83 83 PHE CB C 83 42.331 40.222 2.109 1
1 807 . 5 1 1 A 83 83 PHE N N 83 120.461 119.403 1.058 1
1 808 . 5 1 1 A 84 84 THR H H 84 9.387 8.525 0.862 1
1 809 . 5 1 1 A 84 84 THR HA H 84 4.771 5.237 -0.466 1
1 814 . 5 1 1 A 84 84 THR CA C 84 60.323 60.724 -0.401 1
1 815 . 5 1 1 A 84 84 THR CB C 84 71.263 70.897 0.366 1
1 816 . 5 1 1 A 84 84 THR N N 84 118.901 112.654 6.247 1
1 817 . 5 1 1 A 85 85 CYS H H 85 8.691 9.221 -0.530 1
1 818 . 5 1 1 A 85 85 CYS HA H 85 5.010 5.033 -0.023 1
1 821 . 5 1 1 A 85 85 CYS CA C 85 54.594 57.450 -2.856 1
1 822 . 5 1 1 A 85 85 CYS CB C 85 26.847 29.240 -2.393 1
1 823 . 5 1 1 A 85 85 CYS N N 85 124.244 127.352 -3.108 1
1 824 . 5 1 1 A 86 86 GLU H H 86 9.051 8.584 0.467 1
1 825 . 5 1 1 A 86 86 GLU HA H 86 5.304 5.062 0.242 1
1 830 . 5 1 1 A 86 86 GLU CA C 86 54.424 55.846 -1.422 1
1 831 . 5 1 1 A 86 86 GLU CB C 86 34.037 31.242 2.795 1
1 832 . 5 1 1 A 86 86 GLU N N 86 128.372 126.762 1.610 1
1 833 . 5 1 1 A 87 87 ALA H H 87 8.758 8.760 -0.002 1
1 834 . 5 1 1 A 87 87 ALA HA H 87 5.520 5.258 0.262 1
1 838 . 5 1 1 A 87 87 ALA CA C 87 49.578 50.750 -1.172 1
1 839 . 5 1 1 A 87 87 ALA N N 87 122.903 127.886 -4.983 1
1 840 . 5 1 1 A 88 88 ASP H H 88 8.849 8.732 0.117 1
1 841 . 5 1 1 A 88 88 ASP HA H 88 5.146 5.189 -0.043 1
1 844 . 5 1 1 A 88 88 ASP CA C 88 53.299 53.291 0.008 1
1 845 . 5 1 1 A 88 88 ASP CB C 88 46.981 44.502 2.479 1
1 846 . 5 1 1 A 88 88 ASP N N 88 119.653 116.969 2.684 1
1 847 . 5 1 1 A 89 89 THR H H 89 9.780 8.386 1.394 1
1 848 . 5 1 1 A 89 89 THR HA H 89 4.940 4.344 0.596 1
1 853 . 5 1 1 A 89 89 THR CA C 89 63.221 62.673 0.548 1
1 854 . 5 1 1 A 89 89 THR CB C 89 69.269 70.258 -0.989 1
1 856 . 5 1 1 A 89 89 THR N N 89 120.857 114.364 6.493 1
1 857 . 5 1 1 A 90 90 LEU H H 90 10.670 8.183 2.487 1
1 858 . 5 1 1 A 90 90 LEU HA H 90 3.619 3.992 -0.373 1
1 868 . 5 1 1 A 90 90 LEU CA C 90 55.620 56.236 -0.616 1
1 869 . 5 1 1 A 90 90 LEU CB C 90 38.653 40.185 -1.532 1
1 873 . 5 1 1 A 90 90 LEU N N 90 121.028 118.045 2.983 1
1 874 . 5 1 1 A 91 91 GLY H H 91 8.606 8.157 0.449 1
1 875 . 5 1 1 A 91 91 GLY HA2 H 91 3.500 3.896 -0.396 1
1 876 . 5 1 1 A 91 91 GLY HA3 H 91 3.680 3.907 -0.227 1
1 877 . 5 1 1 A 91 91 GLY CA C 91 46.299 46.136 0.163 1
1 878 . 5 1 1 A 91 91 GLY N N 91 107.743 105.987 1.756 1
1 879 . 5 1 1 A 92 92 SER H H 92 8.126 8.473 -0.347 1
1 880 . 5 1 1 A 92 92 SER HA H 92 4.078 4.204 -0.126 1
1 883 . 5 1 1 A 92 92 SER CA C 92 59.779 61.345 -1.566 1
1 884 . 5 1 1 A 92 92 SER CB C 92 65.161 62.940 2.221 1
1 885 . 5 1 1 A 92 92 SER N N 92 112.753 116.992 -4.239 1
1 886 . 5 1 1 A 93 93 CYS H H 93 9.001 8.068 0.933 1
1 887 . 5 1 1 A 93 93 CYS HA H 93 3.617 4.143 -0.526 1
1 890 . 5 1 1 A 93 93 CYS CA C 93 59.953 59.900 0.053 1
1 891 . 5 1 1 A 93 93 CYS CB C 93 25.176 25.564 -0.388 1
1 892 . 5 1 1 A 93 93 CYS N N 93 119.159 119.762 -0.603 1
1 893 . 5 1 1 A 94 94 GLY H H 94 8.795 8.012 0.783 1
1 894 . 5 1 1 A 94 94 GLY HA2 H 94 4.063 3.884 0.179 1
1 895 . 5 1 1 A 94 94 GLY HA3 H 94 3.503 3.972 -0.469 1
1 896 . 5 1 1 A 94 94 GLY CA C 94 46.150 45.912 0.238 1
1 897 . 5 1 1 A 94 94 GLY N N 94 105.924 107.752 -1.828 1
1 898 . 5 1 1 A 95 95 TYR H H 95 8.144 7.994 0.150 1
1 899 . 5 1 1 A 95 95 TYR HA H 95 5.743 5.113 0.630 1
1 906 . 5 1 1 A 95 95 TYR CA C 95 54.818 56.249 -1.431 1
1 907 . 5 1 1 A 95 95 TYR CB C 95 41.503 41.966 -0.463 1
1 912 . 5 1 1 A 95 95 TYR N N 95 118.757 118.376 0.381 1
1 913 . 5 1 1 A 96 96 VAL H H 96 8.280 8.840 -0.560 1
1 914 . 5 1 1 A 96 96 VAL HA H 96 4.082 4.247 -0.165 1
1 922 . 5 1 1 A 96 96 VAL CA C 96 62.593 61.251 1.342 1
1 923 . 5 1 1 A 96 96 VAL CB C 96 34.676 33.113 1.563 1
1 926 . 5 1 1 A 96 96 VAL N N 96 117.579 123.034 -5.455 1
1 927 . 5 1 1 A 97 97 TYR H H 97 9.171 8.491 0.680 1
1 928 . 5 1 1 A 97 97 TYR HA H 97 4.987 5.183 -0.196 1
1 935 . 5 1 1 A 97 97 TYR CA C 97 57.046 57.356 -0.310 1
1 936 . 5 1 1 A 97 97 TYR CB C 97 39.334 40.192 -0.858 1
1 941 . 5 1 1 A 97 97 TYR N N 97 129.228 126.489 2.739 1
1 942 . 5 1 1 A 98 98 ILE H H 98 8.739 8.989 -0.250 1
1 943 . 5 1 1 A 98 98 ILE HA H 98 6.098 5.127 0.971 1
1 953 . 5 1 1 A 98 98 ILE CA C 98 57.878 59.474 -1.596 1
1 954 . 5 1 1 A 98 98 ILE CB C 98 43.028 42.620 0.408 1
1 958 . 5 1 1 A 98 98 ILE N N 98 112.588 117.945 -5.357 1
1 959 . 5 1 1 A 99 99 ALA H H 99 8.867 8.212 0.655 1
1 960 . 5 1 1 A 99 99 ALA HA H 99 5.507 5.190 0.317 1
1 964 . 5 1 1 A 99 99 ALA CA C 99 51.757 51.059 0.698 1
1 965 . 5 1 1 A 99 99 ALA CB C 99 21.801 24.144 -2.343 1
1 966 . 5 1 1 A 99 99 ALA N N 99 124.370 123.408 0.962 1
1 967 . 5 1 1 A 100 100 VAL H H 100 9.706 8.500 1.206 1
1 968 . 5 1 1 A 100 100 VAL HA H 100 5.238 4.781 0.457 1
1 976 . 5 1 1 A 100 100 VAL CA C 100 60.077 61.416 -1.339 1
1 977 . 5 1 1 A 100 100 VAL CB C 100 34.166 34.340 -0.174 1
1 980 . 5 1 1 A 100 100 VAL N N 100 122.354 119.791 2.563 1
1 981 . 5 1 1 A 101 101 TYR H H 101 8.833 8.787 0.046 1
1 982 . 5 1 1 A 101 101 TYR HA H 101 5.529 5.535 -0.006 1
1 985 . 5 1 1 A 101 101 TYR CA C 101 54.118 54.734 -0.616 1
1 986 . 5 1 1 A 101 101 TYR CB C 101 37.597 39.067 -1.470 1
1 987 . 5 1 1 A 101 101 TYR N N 101 123.413 123.297 0.116 1
1 988 . 5 1 1 A 102 102 PRO HA H 102 4.198 4.547 -0.349 1
1 993 . 5 1 1 A 102 102 PRO CA C 102 61.976 63.245 -1.269 1
1 994 . 5 1 1 A 102 102 PRO CB C 102 31.325 32.184 -0.859 1
1 996 . 5 1 1 A 103 103 THR H H 103 8.740 8.338 0.402 1
1 997 . 5 1 1 A 103 103 THR HA H 103 3.983 4.692 -0.709 1
1 1002 . 5 1 1 A 103 103 THR CA C 103 64.447 60.741 3.706 1
1 1003 . 5 1 1 A 103 103 THR CB C 103 68.595 70.633 -2.038 1
1 1005 . 5 1 1 A 103 103 THR N N 103 122.463 117.139 5.324 1
1 1006 . 5 1 1 A 104 104 GLN H H 104 8.672 8.643 0.029 1
1 1007 . 5 1 1 A 104 104 GLN HA H 104 4.309 4.357 -0.048 1
1 1010 . 5 1 1 A 104 104 GLN CA C 104 54.989 55.229 -0.240 1
1 1011 . 5 1 1 A 104 104 GLN CB C 104 29.277 27.026 2.251 1
1 1012 . 5 1 1 A 104 104 GLN N N 104 123.452 125.139 -1.687 1
1 1 . 6 1 1 A 3 3 ASN HA H 3 4.740 4.584 0.156 1
1 4 . 6 1 1 A 3 3 ASN CA C 3 52.719 55.097 -2.378 1
1 5 . 6 1 1 A 3 3 ASN CB C 3 38.344 38.283 0.061 1
1 6 . 6 1 1 A 4 4 THR H H 4 8.142 8.396 -0.254 1
1 7 . 6 1 1 A 4 4 THR HA H 4 4.059 4.519 -0.460 1
1 12 . 6 1 1 A 4 4 THR CA C 4 61.542 60.462 1.080 1
1 13 . 6 1 1 A 4 4 THR CB C 4 69.257 70.062 -0.805 1
1 15 . 6 1 1 A 4 4 THR N N 4 116.100 107.610 8.490 1
1 16 . 6 1 1 A 5 5 THR H H 5 7.898 8.887 -0.989 1
1 17 . 6 1 1 A 5 5 THR HA H 5 4.167 4.304 -0.137 1
1 22 . 6 1 1 A 5 5 THR CA C 5 60.219 60.863 -0.644 1
1 23 . 6 1 1 A 5 5 THR CB C 5 69.457 69.385 0.072 1
1 25 . 6 1 1 A 5 5 THR N N 5 117.796 121.580 -3.784 1
1 26 . 6 1 1 A 6 6 TRP H H 6 8.248 8.334 -0.086 1
1 27 . 6 1 1 A 6 6 TRP HA H 6 4.608 4.751 -0.143 1
1 36 . 6 1 1 A 6 6 TRP CA C 6 55.971 57.514 -1.543 1
1 37 . 6 1 1 A 6 6 TRP CB C 6 32.251 30.374 1.877 1
1 43 . 6 1 1 A 6 6 TRP N N 6 123.584 129.426 -5.842 1
1 45 . 6 1 1 A 7 7 GLY H H 7 8.590 8.609 -0.019 1
1 46 . 6 1 1 A 7 7 GLY HA2 H 7 4.668 4.189 0.479 1
1 47 . 6 1 1 A 7 7 GLY HA3 H 7 3.904 4.220 -0.316 1
1 48 . 6 1 1 A 7 7 GLY CA C 7 44.451 44.859 -0.408 1
1 49 . 6 1 1 A 7 7 GLY N N 7 103.966 111.589 -7.623 1
1 50 . 6 1 1 A 8 8 LEU H H 8 6.805 8.714 -1.909 1
1 51 . 6 1 1 A 8 8 LEU HA H 8 4.204 4.151 0.053 1
1 60 . 6 1 1 A 8 8 LEU CA C 8 53.799 55.539 -1.740 1
1 61 . 6 1 1 A 8 8 LEU CB C 8 42.762 42.010 0.752 1
1 62 . 6 1 1 A 8 8 LEU N N 8 119.119 122.055 -2.936 1
1 63 . 6 1 1 A 9 9 GLN H H 9 9.078 8.462 0.616 1
1 64 . 6 1 1 A 9 9 GLN HA H 9 4.105 4.662 -0.557 1
1 69 . 6 1 1 A 9 9 GLN CA C 9 55.604 55.396 0.208 1
1 70 . 6 1 1 A 9 9 GLN CB C 9 26.867 29.432 -2.565 1
1 71 . 6 1 1 A 9 9 GLN N N 9 124.351 123.552 0.799 1
1 72 . 6 1 1 A 10 10 ARG H H 10 6.912 8.543 -1.631 1
1 73 . 6 1 1 A 10 10 ARG HA H 10 4.536 4.840 -0.304 1
1 80 . 6 1 1 A 10 10 ARG CA C 10 51.817 54.004 -2.187 1
1 81 . 6 1 1 A 10 10 ARG CB C 10 34.485 33.329 1.156 1
1 83 . 6 1 1 A 10 10 ARG N N 10 125.940 125.559 0.381 1
1 84 . 6 1 1 A 11 11 ASP H H 11 8.544 8.544 0.000 1
1 85 . 6 1 1 A 11 11 ASP HA H 11 4.633 4.425 0.208 1
1 88 . 6 1 1 A 11 11 ASP CA C 11 52.853 56.250 -3.397 1
1 89 . 6 1 1 A 11 11 ASP CB C 11 39.641 40.536 -0.895 1
1 90 . 6 1 1 A 11 11 ASP N N 11 121.026 121.609 -0.583 1
1 91 . 6 1 1 A 12 12 ILE H H 12 6.828 7.516 -0.688 1
1 92 . 6 1 1 A 12 12 ILE HA H 12 3.890 4.014 -0.124 1
1 102 . 6 1 1 A 12 12 ILE CA C 12 60.042 62.327 -2.285 1
1 103 . 6 1 1 A 12 12 ILE CB C 12 40.957 37.772 3.185 1
1 107 . 6 1 1 A 12 12 ILE N N 12 120.620 120.203 0.417 1
1 108 . 6 1 1 A 13 13 THR H H 13 7.910 8.855 -0.945 1
1 109 . 6 1 1 A 13 13 THR HA H 13 4.330 4.159 0.171 1
1 114 . 6 1 1 A 13 13 THR CB C 13 70.524 68.168 2.356 1
1 115 . 6 1 1 A 13 13 THR N N 13 118.106 120.137 -2.031 1
1 116 . 6 1 1 A 14 14 PRO HA H 14 4.884 4.294 0.590 1
1 122 . 6 1 1 A 14 14 PRO CA C 14 61.777 65.874 -4.097 1
1 123 . 6 1 1 A 14 14 PRO CB C 14 33.621 31.406 2.215 1
1 125 . 6 1 1 A 15 15 ARG H H 15 8.312 7.625 0.687 1
1 126 . 6 1 1 A 15 15 ARG HA H 15 5.484 4.830 0.654 1
1 131 . 6 1 1 A 15 15 ARG CA C 15 54.493 55.559 -1.066 1
1 132 . 6 1 1 A 15 15 ARG CB C 15 33.621 32.110 1.511 1
1 133 . 6 1 1 A 15 15 ARG N N 15 111.571 116.982 -5.411 1
1 134 . 6 1 1 A 16 16 LEU H H 16 9.729 9.082 0.647 1
1 135 . 6 1 1 A 16 16 LEU HA H 16 5.329 5.206 0.123 1
1 144 . 6 1 1 A 16 16 LEU CA C 16 53.650 53.113 0.537 1
1 145 . 6 1 1 A 16 16 LEU CB C 16 44.521 45.839 -1.318 1
1 148 . 6 1 1 A 16 16 LEU N N 16 125.998 122.560 3.438 1
1 149 . 6 1 1 A 17 17 GLY H H 17 9.504 8.850 0.654 1
1 150 . 6 1 1 A 17 17 GLY HA2 H 17 5.346 4.223 1.123 1
1 151 . 6 1 1 A 17 17 GLY HA3 H 17 4.211 4.245 -0.034 1
1 152 . 6 1 1 A 17 17 GLY CA C 17 43.759 45.422 -1.663 1
1 153 . 6 1 1 A 17 17 GLY N N 17 114.627 107.259 7.368 1
1 154 . 6 1 1 A 18 18 ALA H H 18 7.733 8.864 -1.131 1
1 155 . 6 1 1 A 18 18 ALA HA H 18 5.244 4.819 0.425 1
1 159 . 6 1 1 A 18 18 ALA CA C 18 51.532 51.235 0.297 1
1 160 . 6 1 1 A 18 18 ALA CB C 18 22.204 19.205 2.999 1
1 161 . 6 1 1 A 18 18 ALA N N 18 119.712 125.956 -6.244 1
1 162 . 6 1 1 A 19 19 ARG H H 19 8.363 8.258 0.105 1
1 163 . 6 1 1 A 19 19 ARG HA H 19 4.632 4.633 -0.001 1
1 166 . 6 1 1 A 19 19 ARG CA C 19 54.915 56.084 -1.169 1
1 167 . 6 1 1 A 19 19 ARG CB C 19 31.971 31.051 0.920 1
1 168 . 6 1 1 A 19 19 ARG N N 19 122.423 121.447 0.976 1
1 169 . 6 1 1 A 20 20 LEU H H 20 9.540 8.954 0.586 1
1 170 . 6 1 1 A 20 20 LEU HA H 20 4.703 4.949 -0.246 1
1 179 . 6 1 1 A 20 20 LEU CA C 20 54.103 53.807 0.296 1
1 180 . 6 1 1 A 20 20 LEU CB C 20 42.688 43.467 -0.779 1
1 183 . 6 1 1 A 20 20 LEU N N 20 130.686 126.973 3.713 1
1 184 . 6 1 1 A 21 21 VAL H H 21 8.352 8.935 -0.583 1
1 185 . 6 1 1 A 21 21 VAL HA H 21 4.346 4.891 -0.545 1
1 193 . 6 1 1 A 21 21 VAL CA C 21 61.817 59.874 1.943 1
1 194 . 6 1 1 A 21 21 VAL CB C 21 33.976 33.957 0.019 1
1 197 . 6 1 1 A 21 21 VAL N N 21 120.930 122.819 -1.889 1
1 198 . 6 1 1 A 22 22 GLN H H 22 8.319 8.746 -0.427 1
1 199 . 6 1 1 A 22 22 GLN HA H 22 4.646 4.558 0.088 1
1 204 . 6 1 1 A 22 22 GLN CA C 22 54.818 55.507 -0.689 1
1 205 . 6 1 1 A 22 22 GLN CB C 22 29.251 29.495 -0.244 1
1 206 . 6 1 1 A 22 22 GLN N N 22 127.936 128.869 -0.933 1
1 207 . 6 1 1 A 23 23 GLU H H 23 8.667 8.532 0.135 1
1 208 . 6 1 1 A 23 23 GLU HA H 23 4.370 4.420 -0.050 1
1 211 . 6 1 1 A 23 23 GLU CA C 23 54.495 55.441 -0.946 1
1 212 . 6 1 1 A 23 23 GLU CB C 23 30.618 31.332 -0.714 1
1 213 . 6 1 1 A 23 23 GLU N N 23 129.097 126.062 3.035 1
1 214 . 6 1 1 A 24 24 GLY H H 24 8.949 8.915 0.034 1
1 215 . 6 1 1 A 24 24 GLY HA2 H 24 3.879 3.913 -0.034 1
1 216 . 6 1 1 A 24 24 GLY HA3 H 24 3.543 3.926 -0.383 1
1 217 . 6 1 1 A 24 24 GLY CA C 24 46.645 45.011 1.634 1
1 218 . 6 1 1 A 24 24 GLY N N 24 117.894 116.747 1.147 1
1 219 . 6 1 1 A 25 25 ASN H H 25 8.747 8.626 0.121 1
1 220 . 6 1 1 A 25 25 ASN HA H 25 4.700 4.760 -0.060 1
1 223 . 6 1 1 A 25 25 ASN CA C 25 52.331 53.196 -0.865 1
1 224 . 6 1 1 A 25 25 ASN CB C 25 37.827 38.948 -1.121 1
1 225 . 6 1 1 A 25 25 ASN N N 25 124.981 121.742 3.239 1
1 226 . 6 1 1 A 26 26 GLN H H 26 7.811 7.715 0.096 1
1 227 . 6 1 1 A 26 26 GLN HA H 26 4.498 4.890 -0.392 1
1 232 . 6 1 1 A 26 26 GLN CA C 26 53.969 54.334 -0.365 1
1 233 . 6 1 1 A 26 26 GLN CB C 26 31.577 31.940 -0.363 1
1 235 . 6 1 1 A 26 26 GLN N N 26 117.634 116.945 0.689 1
1 236 . 6 1 1 A 27 27 LEU H H 27 9.306 8.997 0.309 1
1 237 . 6 1 1 A 27 27 LEU HA H 27 4.973 4.912 0.061 1
1 246 . 6 1 1 A 27 27 LEU CA C 27 52.106 53.848 -1.742 1
1 247 . 6 1 1 A 27 27 LEU CB C 27 44.645 42.980 1.665 1
1 250 . 6 1 1 A 27 27 LEU N N 27 121.896 123.918 -2.022 1
1 251 . 6 1 1 A 28 28 HIS H H 28 8.998 9.085 -0.087 1
1 252 . 6 1 1 A 28 28 HIS HA H 28 4.860 4.958 -0.098 1
1 255 . 6 1 1 A 28 28 HIS CA C 28 53.461 54.968 -1.507 1
1 256 . 6 1 1 A 28 28 HIS CB C 28 30.884 30.161 0.723 1
1 257 . 6 1 1 A 28 28 HIS N N 28 119.141 123.986 -4.845 1
1 258 . 6 1 1 A 29 29 TYR H H 29 8.811 8.984 -0.173 1
1 259 . 6 1 1 A 29 29 TYR HA H 29 4.571 4.980 -0.409 1
1 266 . 6 1 1 A 29 29 TYR CA C 29 56.308 56.746 -0.438 1
1 267 . 6 1 1 A 29 29 TYR CB C 29 38.935 40.074 -1.139 1
1 272 . 6 1 1 A 29 29 TYR N N 29 124.729 125.565 -0.836 1
1 273 . 6 1 1 A 30 30 LEU H H 30 8.677 8.604 0.073 1
1 274 . 6 1 1 A 30 30 LEU HA H 30 4.275 4.351 -0.076 1
1 283 . 6 1 1 A 30 30 LEU CA C 30 52.463 53.482 -1.019 1
1 284 . 6 1 1 A 30 30 LEU CB C 30 42.668 41.709 0.959 1
1 287 . 6 1 1 A 30 30 LEU N N 30 131.620 128.742 2.878 1
1 288 . 6 1 1 A 31 31 ALA H H 31 8.503 8.642 -0.139 1
1 289 . 6 1 1 A 31 31 ALA HA H 31 3.606 3.565 0.041 1
1 293 . 6 1 1 A 31 31 ALA CA C 31 54.068 55.046 -0.978 1
1 294 . 6 1 1 A 31 31 ALA CB C 31 17.576 18.152 -0.576 1
1 295 . 6 1 1 A 31 31 ALA N N 31 128.548 126.865 1.683 1
1 296 . 6 1 1 A 32 32 ASP H H 32 8.102 8.063 0.039 1
1 297 . 6 1 1 A 32 32 ASP HA H 32 4.531 4.273 0.258 1
1 300 . 6 1 1 A 32 32 ASP CA C 32 53.266 56.127 -2.861 1
1 301 . 6 1 1 A 32 32 ASP CB C 32 38.572 40.326 -1.754 1
1 302 . 6 1 1 A 32 32 ASP N N 32 111.569 117.580 -6.011 1
1 303 . 6 1 1 A 33 33 ARG H H 33 7.346 7.355 -0.009 1
1 304 . 6 1 1 A 33 33 ARG HA H 33 2.688 3.071 -0.383 1
1 309 . 6 1 1 A 33 33 ARG CA C 33 51.257 54.714 -3.457 1
1 310 . 6 1 1 A 33 33 ARG CB C 33 28.426 29.032 -0.606 1
1 311 . 6 1 1 A 33 33 ARG N N 33 122.483 117.121 5.362 1
1 312 . 6 1 1 A 34 34 ALA H H 34 6.661 7.589 -0.928 1
1 313 . 6 1 1 A 34 34 ALA HA H 34 5.275 5.016 0.259 1
1 317 . 6 1 1 A 34 34 ALA CA C 34 50.673 51.732 -1.059 1
1 318 . 6 1 1 A 34 34 ALA CB C 34 23.479 22.915 0.564 1
1 319 . 6 1 1 A 34 34 ALA N N 34 120.854 121.030 -0.176 1
1 320 . 6 1 1 A 35 35 SER H H 35 9.494 8.974 0.520 1
1 321 . 6 1 1 A 35 35 SER HA H 35 4.962 5.406 -0.444 1
1 324 . 6 1 1 A 35 35 SER CA C 35 57.438 56.837 0.601 1
1 325 . 6 1 1 A 35 35 SER CB C 35 66.260 65.524 0.736 1
1 326 . 6 1 1 A 35 35 SER N N 35 114.094 114.499 -0.405 1
1 327 . 6 1 1 A 36 36 ILE H H 36 8.989 8.800 0.189 1
1 328 . 6 1 1 A 36 36 ILE HA H 36 5.199 4.765 0.434 1
1 338 . 6 1 1 A 36 36 ILE CA C 36 59.982 60.204 -0.222 1
1 339 . 6 1 1 A 36 36 ILE CB C 36 39.235 39.341 -0.106 1
1 343 . 6 1 1 A 36 36 ILE N N 36 125.993 122.528 3.465 1
1 344 . 6 1 1 A 37 37 THR H H 37 9.107 8.680 0.427 1
1 345 . 6 1 1 A 37 37 THR HA H 37 4.478 4.954 -0.476 1
1 350 . 6 1 1 A 37 37 THR CA C 37 62.063 59.770 2.293 1
1 351 . 6 1 1 A 37 37 THR CB C 37 69.419 71.796 -2.377 1
1 352 . 6 1 1 A 37 37 THR N N 37 126.763 114.290 12.473 1
1 353 . 6 1 1 A 38 38 GLY H H 38 8.546 8.642 -0.096 1
1 354 . 6 1 1 A 38 38 GLY HA2 H 38 3.556 3.748 -0.192 1
1 355 . 6 1 1 A 38 38 GLY HA3 H 38 3.968 3.837 0.131 1
1 356 . 6 1 1 A 38 38 GLY CA C 38 43.487 46.039 -2.552 1
1 357 . 6 1 1 A 38 38 GLY N N 38 113.541 111.887 1.654 1
1 358 . 6 1 1 A 39 39 LYS H H 39 8.131 8.206 -0.075 1
1 359 . 6 1 1 A 39 39 LYS HA H 39 4.511 4.099 0.412 1
1 366 . 6 1 1 A 39 39 LYS CA C 39 54.562 56.646 -2.084 1
1 367 . 6 1 1 A 39 39 LYS CB C 39 34.646 32.814 1.832 1
1 370 . 6 1 1 A 39 39 LYS N N 39 119.477 122.288 -2.811 1
1 371 . 6 1 1 A 40 40 PHE H H 40 8.739 8.884 -0.145 1
1 372 . 6 1 1 A 40 40 PHE HA H 40 4.482 4.979 -0.497 1
1 380 . 6 1 1 A 40 40 PHE CA C 40 58.592 57.522 1.070 1
1 381 . 6 1 1 A 40 40 PHE CB C 40 39.593 40.508 -0.915 1
1 387 . 6 1 1 A 40 40 PHE N N 40 125.875 123.705 2.170 1
1 388 . 6 1 1 A 41 41 SER H H 41 9.825 9.012 0.813 1
1 389 . 6 1 1 A 41 41 SER HA H 41 4.484 4.559 -0.075 1
1 392 . 6 1 1 A 41 41 SER CA C 41 57.383 58.796 -1.413 1
1 393 . 6 1 1 A 41 41 SER CB C 41 64.570 64.223 0.347 1
1 394 . 6 1 1 A 41 41 SER N N 41 120.297 120.374 -0.077 1
1 395 . 6 1 1 A 42 42 ASP H H 42 8.944 9.054 -0.110 1
1 396 . 6 1 1 A 42 42 ASP HA H 42 4.493 4.290 0.203 1
1 399 . 6 1 1 A 42 42 ASP CA C 42 57.068 56.675 0.393 1
1 400 . 6 1 1 A 42 42 ASP CB C 42 39.471 40.417 -0.946 1
1 401 . 6 1 1 A 42 42 ASP N N 42 121.339 125.080 -3.741 1
1 402 . 6 1 1 A 43 43 ALA H H 43 8.071 7.781 0.290 1
1 403 . 6 1 1 A 43 43 ALA HA H 43 4.254 4.194 0.060 1
1 407 . 6 1 1 A 43 43 ALA CA C 43 53.245 53.113 0.132 1
1 408 . 6 1 1 A 43 43 ALA CB C 43 18.716 19.117 -0.401 1
1 409 . 6 1 1 A 43 43 ALA N N 43 119.592 120.060 -0.468 1
1 410 . 6 1 1 A 44 44 GLU H H 44 7.860 7.907 -0.047 1
1 411 . 6 1 1 A 44 44 GLU HA H 44 4.164 4.533 -0.369 1
1 414 . 6 1 1 A 44 44 GLU CA C 44 57.748 56.925 0.823 1
1 415 . 6 1 1 A 44 44 GLU CB C 44 30.832 30.644 0.188 1
1 416 . 6 1 1 A 44 44 GLU N N 44 117.391 116.396 0.995 1
1 417 . 6 1 1 A 45 45 CYS H H 45 8.212 8.567 -0.355 1
1 418 . 6 1 1 A 45 45 CYS HA H 45 4.010 4.077 -0.067 1
1 421 . 6 1 1 A 45 45 CYS CA C 45 65.262 63.614 1.648 1
1 422 . 6 1 1 A 45 45 CYS CB C 45 24.356 26.791 -2.435 1
1 423 . 6 1 1 A 45 45 CYS N N 45 117.475 120.404 -2.929 1
1 424 . 6 1 1 A 46 46 PRO HA H 46 4.406 4.226 0.180 1
1 427 . 6 1 1 A 46 46 PRO CA C 46 64.575 66.180 -1.605 1
1 428 . 6 1 1 A 46 46 PRO CB C 46 30.339 30.834 -0.495 1
1 429 . 6 1 1 A 47 47 LYS H H 47 6.825 7.959 -1.134 1
1 430 . 6 1 1 A 47 47 LYS HA H 47 4.032 4.051 -0.019 1
1 437 . 6 1 1 A 47 47 LYS CA C 47 57.897 59.436 -1.539 1
1 438 . 6 1 1 A 47 47 LYS CB C 47 32.303 32.197 0.106 1
1 440 . 6 1 1 A 47 47 LYS N N 47 116.096 119.662 -3.566 1
1 441 . 6 1 1 A 48 48 LEU H H 48 7.980 7.633 0.347 1
1 442 . 6 1 1 A 48 48 LEU HA H 48 3.252 3.808 -0.556 1
1 451 . 6 1 1 A 48 48 LEU CA C 48 57.086 57.886 -0.800 1
1 452 . 6 1 1 A 48 48 LEU CB C 48 40.525 41.575 -1.050 1
1 455 . 6 1 1 A 48 48 LEU N N 48 122.611 120.675 1.936 1
1 456 . 6 1 1 A 49 49 ASP H H 49 7.219 7.834 -0.615 1
1 457 . 6 1 1 A 49 49 ASP HA H 49 4.221 4.360 -0.139 1
1 460 . 6 1 1 A 49 49 ASP CA C 49 56.273 56.042 0.231 1
1 461 . 6 1 1 A 49 49 ASP CB C 49 40.150 40.656 -0.506 1
1 462 . 6 1 1 A 49 49 ASP N N 49 115.153 117.929 -2.776 1
1 463 . 6 1 1 A 50 50 VAL H H 50 7.057 7.588 -0.531 1
1 464 . 6 1 1 A 50 50 VAL HA H 50 3.921 4.000 -0.079 1
1 472 . 6 1 1 A 50 50 VAL CA C 50 63.679 63.573 0.106 1
1 473 . 6 1 1 A 50 50 VAL CB C 50 32.269 32.464 -0.195 1
1 476 . 6 1 1 A 50 50 VAL N N 50 115.474 116.571 -1.097 1
1 477 . 6 1 1 A 51 51 VAL H H 51 8.071 7.814 0.257 1
1 478 . 6 1 1 A 51 51 VAL HA H 51 3.805 3.721 0.084 1
1 486 . 6 1 1 A 51 51 VAL CA C 51 63.650 65.034 -1.384 1
1 487 . 6 1 1 A 51 51 VAL CB C 51 31.130 31.134 -0.004 1
1 490 . 6 1 1 A 51 51 VAL N N 51 116.526 120.568 -4.042 1
1 491 . 6 1 1 A 52 52 PHE H H 52 8.203 7.975 0.228 1
1 492 . 6 1 1 A 52 52 PHE HA H 52 4.382 4.093 0.289 1
1 497 . 6 1 1 A 52 52 PHE CA C 52 63.038 62.256 0.782 1
1 498 . 6 1 1 A 52 52 PHE CB C 52 36.263 38.055 -1.792 1
1 501 . 6 1 1 A 52 52 PHE N N 52 121.336 120.990 0.346 1
1 502 . 6 1 1 A 53 53 PRO HA H 53 3.930 4.234 -0.304 1
1 507 . 6 1 1 A 53 53 PRO CA C 53 65.098 66.063 -0.965 1
1 508 . 6 1 1 A 53 53 PRO CB C 53 30.053 30.699 -0.646 1
1 509 . 6 1 1 A 54 54 HIS H H 54 6.741 7.278 -0.537 1
1 510 . 6 1 1 A 54 54 HIS HA H 54 4.041 4.163 -0.122 1
1 513 . 6 1 1 A 54 54 HIS CA C 54 59.100 59.653 -0.553 1
1 514 . 6 1 1 A 54 54 HIS CB C 54 28.478 29.506 -1.028 1
1 515 . 6 1 1 A 54 54 HIS N N 54 116.851 116.515 0.336 1
1 516 . 6 1 1 A 55 55 PHE H H 55 7.902 7.726 0.176 1
1 517 . 6 1 1 A 55 55 PHE HA H 55 4.230 3.793 0.437 1
1 522 . 6 1 1 A 55 55 PHE CA C 55 59.471 61.394 -1.923 1
1 523 . 6 1 1 A 55 55 PHE CB C 55 37.210 39.066 -1.856 1
1 526 . 6 1 1 A 55 55 PHE N N 55 118.222 119.259 -1.037 1
1 527 . 6 1 1 A 56 56 ILE H H 56 7.812 7.883 -0.071 1
1 528 . 6 1 1 A 56 56 ILE HA H 56 3.176 3.448 -0.272 1
1 538 . 6 1 1 A 56 56 ILE CA C 56 64.446 64.634 -0.188 1
1 539 . 6 1 1 A 56 56 ILE CB C 56 35.405 36.929 -1.524 1
1 542 . 6 1 1 A 56 56 ILE N N 56 117.686 120.289 -2.603 1
1 543 . 6 1 1 A 57 57 SER H H 57 7.660 8.179 -0.519 1
1 544 . 6 1 1 A 57 57 SER HA H 57 4.230 3.995 0.235 1
1 547 . 6 1 1 A 57 57 SER CA C 57 60.942 61.499 -0.557 1
1 548 . 6 1 1 A 57 57 SER CB C 57 62.062 62.791 -0.729 1
1 549 . 6 1 1 A 57 57 SER N N 57 113.709 116.658 -2.949 1
1 550 . 6 1 1 A 58 58 GLN H H 58 7.830 7.482 0.348 1
1 551 . 6 1 1 A 58 58 GLN HA H 58 3.934 3.971 -0.037 1
1 554 . 6 1 1 A 58 58 GLN CA C 58 58.232 58.643 -0.411 1
1 555 . 6 1 1 A 58 58 GLN CB C 58 28.502 28.353 0.149 1
1 556 . 6 1 1 A 58 58 GLN N N 58 121.550 121.008 0.542 1
1 557 . 6 1 1 A 59 59 ILE H H 59 8.482 7.558 0.924 1
1 558 . 6 1 1 A 59 59 ILE HA H 59 3.434 3.409 0.025 1
1 568 . 6 1 1 A 59 59 ILE CA C 59 65.096 65.442 -0.346 1
1 569 . 6 1 1 A 59 59 ILE CB C 59 36.901 37.537 -0.636 1
1 572 . 6 1 1 A 59 59 ILE N N 59 121.796 120.914 0.882 1
1 573 . 6 1 1 A 60 60 GLU H H 60 8.450 8.264 0.186 1
1 574 . 6 1 1 A 60 60 GLU HA H 60 3.705 3.938 -0.233 1
1 579 . 6 1 1 A 60 60 GLU CA C 60 59.896 59.846 0.050 1
1 580 . 6 1 1 A 60 60 GLU CB C 60 29.133 29.169 -0.036 1
1 581 . 6 1 1 A 60 60 GLU N N 60 119.765 121.422 -1.657 1
1 582 . 6 1 1 A 61 61 SER H H 61 7.815 7.668 0.147 1
1 583 . 6 1 1 A 61 61 SER HA H 61 4.226 4.204 0.022 1
1 586 . 6 1 1 A 61 61 SER CA C 61 61.382 62.035 -0.653 1
1 587 . 6 1 1 A 61 61 SER N N 61 114.979 116.885 -1.906 1
1 588 . 6 1 1 A 62 62 MET H H 62 7.878 8.137 -0.259 1
1 589 . 6 1 1 A 62 62 MET HA H 62 4.390 4.099 0.291 1
1 595 . 6 1 1 A 62 62 MET CA C 62 58.334 58.571 -0.237 1
1 596 . 6 1 1 A 62 62 MET CB C 62 33.326 32.692 0.634 1
1 597 . 6 1 1 A 62 62 MET N N 62 120.947 119.597 1.350 1
1 598 . 6 1 1 A 63 63 LEU H H 63 8.179 7.954 0.225 1
1 599 . 6 1 1 A 63 63 LEU HA H 63 4.333 3.966 0.367 1
1 609 . 6 1 1 A 63 63 LEU CA C 63 56.920 57.775 -0.855 1
1 610 . 6 1 1 A 63 63 LEU CB C 63 40.871 41.646 -0.775 1
1 613 . 6 1 1 A 63 63 LEU N N 63 121.156 119.731 1.425 1
1 614 . 6 1 1 A 64 64 THR H H 64 7.913 7.415 0.498 1
1 615 . 6 1 1 A 64 64 THR HA H 64 3.980 4.139 -0.159 1
1 620 . 6 1 1 A 64 64 THR CA C 64 65.633 64.757 0.876 1
1 621 . 6 1 1 A 64 64 THR CB C 64 68.205 68.875 -0.670 1
1 622 . 6 1 1 A 64 64 THR N N 64 116.077 111.133 4.944 1
1 623 . 6 1 1 A 65 65 THR H H 65 8.138 8.980 -0.842 1
1 624 . 6 1 1 A 65 65 THR HA H 65 4.224 4.053 0.171 1
1 629 . 6 1 1 A 65 65 THR CA C 65 62.390 65.301 -2.911 1
1 630 . 6 1 1 A 65 65 THR CB C 65 69.153 68.036 1.117 1
1 632 . 6 1 1 A 65 65 THR N N 65 110.012 114.285 -4.273 1
1 633 . 6 1 1 A 66 66 GLY H H 66 7.529 8.003 -0.474 1
1 634 . 6 1 1 A 66 66 GLY HA2 H 66 4.300 3.918 0.382 1
1 635 . 6 1 1 A 66 66 GLY HA3 H 66 3.771 3.924 -0.153 1
1 636 . 6 1 1 A 66 66 GLY CA C 66 44.829 45.450 -0.621 1
1 637 . 6 1 1 A 66 66 GLY N N 66 108.759 109.988 -1.229 1
1 638 . 6 1 1 A 67 67 GLU H H 67 8.480 8.119 0.361 1
1 639 . 6 1 1 A 67 67 GLU HA H 67 3.920 4.238 -0.318 1
1 644 . 6 1 1 A 67 67 GLU CA C 67 59.013 57.167 1.846 1
1 645 . 6 1 1 A 67 67 GLU CB C 67 30.042 27.267 2.775 1
1 647 . 6 1 1 A 67 67 GLU N N 67 123.262 117.269 5.993 1
1 648 . 6 1 1 A 68 68 LEU H H 68 7.137 8.165 -1.028 1
1 649 . 6 1 1 A 68 68 LEU HA H 68 4.545 4.333 0.212 1
1 659 . 6 1 1 A 68 68 LEU CA C 68 52.955 55.342 -2.387 1
1 660 . 6 1 1 A 68 68 LEU CB C 68 45.377 42.358 3.019 1
1 663 . 6 1 1 A 68 68 LEU N N 68 115.782 121.832 -6.050 1
1 664 . 6 1 1 A 69 69 ASN H H 69 9.102 8.687 0.415 1
1 665 . 6 1 1 A 69 69 ASN HA H 69 5.125 5.245 -0.120 1
1 668 . 6 1 1 A 69 69 ASN CA C 69 49.347 50.539 -1.192 1
1 669 . 6 1 1 A 69 69 ASN CB C 69 41.313 39.000 2.313 1
1 670 . 6 1 1 A 69 69 ASN N N 69 121.546 121.235 0.311 1
1 671 . 6 1 1 A 70 70 PRO HA H 70 4.479 4.452 0.027 1
1 678 . 6 1 1 A 70 70 PRO CA C 70 64.544 63.486 1.058 1
1 679 . 6 1 1 A 70 70 PRO CB C 70 33.813 31.792 2.021 1
1 681 . 6 1 1 A 71 71 ARG H H 71 7.981 8.734 -0.753 1
1 682 . 6 1 1 A 71 71 ARG HA H 71 4.225 4.600 -0.375 1
1 689 . 6 1 1 A 71 71 ARG CA C 71 55.319 56.407 -1.088 1
1 690 . 6 1 1 A 71 71 ARG CB C 71 30.545 33.457 -2.912 1
1 693 . 6 1 1 A 71 71 ARG N N 71 109.539 125.858 -16.319 1
1 694 . 6 1 1 A 72 72 HIS H H 72 7.702 7.740 -0.038 1
1 695 . 6 1 1 A 72 72 HIS HA H 72 4.780 4.892 -0.112 1
1 698 . 6 1 1 A 72 72 HIS CA C 72 53.769 55.576 -1.807 1
1 699 . 6 1 1 A 72 72 HIS CB C 72 32.267 33.416 -1.149 1
1 700 . 6 1 1 A 72 72 HIS N N 72 118.028 117.021 1.007 1
1 701 . 6 1 1 A 73 73 ALA H H 73 8.586 7.994 0.592 1
1 702 . 6 1 1 A 73 73 ALA HA H 73 4.130 4.176 -0.046 1
1 706 . 6 1 1 A 73 73 ALA CA C 73 52.426 52.808 -0.382 1
1 707 . 6 1 1 A 73 73 ALA CB C 73 17.699 18.971 -1.272 1
1 708 . 6 1 1 A 73 73 ALA N N 73 127.706 126.258 1.448 1
1 709 . 6 1 1 A 74 74 GLN H H 74 9.530 7.901 1.629 1
1 710 . 6 1 1 A 74 74 GLN HA H 74 4.089 4.721 -0.632 1
1 715 . 6 1 1 A 74 74 GLN CA C 74 57.063 55.487 1.576 1
1 716 . 6 1 1 A 74 74 GLN CB C 74 29.296 30.554 -1.258 1
1 717 . 6 1 1 A 74 74 GLN N N 74 125.174 122.134 3.040 1
1 718 . 6 1 1 A 75 75 CYS H H 75 8.611 8.901 -0.290 1
1 719 . 6 1 1 A 75 75 CYS HA H 75 5.175 5.088 0.087 1
1 722 . 6 1 1 A 75 75 CYS CA C 75 57.365 57.764 -0.399 1
1 723 . 6 1 1 A 75 75 CYS CB C 75 27.393 29.655 -2.262 1
1 724 . 6 1 1 A 75 75 CYS N N 75 127.825 124.151 3.674 1
1 725 . 6 1 1 A 76 76 VAL H H 76 9.430 8.659 0.771 1
1 726 . 6 1 1 A 76 76 VAL HA H 76 4.672 5.104 -0.432 1
1 734 . 6 1 1 A 76 76 VAL CA C 76 59.670 59.244 0.426 1
1 735 . 6 1 1 A 76 76 VAL CB C 76 33.946 35.804 -1.858 1
1 738 . 6 1 1 A 76 76 VAL N N 76 127.195 117.668 9.527 1
1 739 . 6 1 1 A 77 77 THR H H 77 8.203 8.985 -0.782 1
1 740 . 6 1 1 A 77 77 THR HA H 77 4.890 5.145 -0.255 1
1 745 . 6 1 1 A 77 77 THR CA C 77 61.623 60.636 0.987 1
1 746 . 6 1 1 A 77 77 THR CB C 77 69.561 70.946 -1.385 1
1 747 . 6 1 1 A 77 77 THR N N 77 117.773 116.400 1.373 1
1 748 . 6 1 1 A 78 78 LEU H H 78 9.220 8.967 0.253 1
1 749 . 6 1 1 A 78 78 LEU HA H 78 4.597 4.989 -0.392 1
1 758 . 6 1 1 A 78 78 LEU CA C 78 52.667 53.559 -0.892 1
1 759 . 6 1 1 A 78 78 LEU CB C 78 45.023 43.891 1.132 1
1 762 . 6 1 1 A 78 78 LEU N N 78 127.846 127.613 0.233 1
1 763 . 6 1 1 A 79 79 TYR H H 79 8.739 8.991 -0.252 1
1 764 . 6 1 1 A 79 79 TYR HA H 79 5.680 5.196 0.484 1
1 771 . 6 1 1 A 79 79 TYR CA C 79 55.963 56.629 -0.666 1
1 772 . 6 1 1 A 79 79 TYR CB C 79 41.396 41.648 -0.252 1
1 777 . 6 1 1 A 79 79 TYR N N 79 117.451 120.043 -2.592 1
1 778 . 6 1 1 A 80 80 HIS H H 80 9.324 8.615 0.709 1
1 779 . 6 1 1 A 80 80 HIS HA H 80 4.545 4.902 -0.357 1
1 782 . 6 1 1 A 80 80 HIS CA C 80 57.781 54.698 3.083 1
1 783 . 6 1 1 A 80 80 HIS CB C 80 32.894 33.022 -0.128 1
1 784 . 6 1 1 A 80 80 HIS N N 80 121.592 120.895 0.697 1
1 785 . 6 1 1 A 81 81 ASN H H 81 8.619 9.567 -0.948 1
1 786 . 6 1 1 A 81 81 ASN HA H 81 4.091 4.430 -0.339 1
1 789 . 6 1 1 A 81 81 ASN CA C 81 52.908 54.206 -1.298 1
1 790 . 6 1 1 A 81 81 ASN CB C 81 37.384 37.627 -0.243 1
1 791 . 6 1 1 A 81 81 ASN N N 81 125.264 122.787 2.477 1
1 792 . 6 1 1 A 82 82 GLY H H 82 8.336 8.486 -0.150 1
1 793 . 6 1 1 A 82 82 GLY HA2 H 82 4.096 3.821 0.275 1
1 794 . 6 1 1 A 82 82 GLY HA3 H 82 3.595 3.879 -0.284 1
1 795 . 6 1 1 A 82 82 GLY CA C 82 45.132 45.427 -0.295 1
1 796 . 6 1 1 A 82 82 GLY N N 82 102.719 104.325 -1.606 1
1 797 . 6 1 1 A 83 83 PHE H H 83 8.498 7.740 0.758 1
1 798 . 6 1 1 A 83 83 PHE HA H 83 5.049 4.659 0.390 1
1 803 . 6 1 1 A 83 83 PHE CA C 83 57.244 58.839 -1.595 1
1 804 . 6 1 1 A 83 83 PHE CB C 83 42.331 39.929 2.402 1
1 807 . 6 1 1 A 83 83 PHE N N 83 120.461 119.419 1.042 1
1 808 . 6 1 1 A 84 84 THR H H 84 9.387 8.563 0.824 1
1 809 . 6 1 1 A 84 84 THR HA H 84 4.771 4.785 -0.014 1
1 814 . 6 1 1 A 84 84 THR CA C 84 60.323 61.105 -0.782 1
1 815 . 6 1 1 A 84 84 THR CB C 84 71.263 70.836 0.427 1
1 816 . 6 1 1 A 84 84 THR N N 84 118.901 115.939 2.962 1
1 817 . 6 1 1 A 85 85 CYS H H 85 8.691 9.031 -0.340 1
1 818 . 6 1 1 A 85 85 CYS HA H 85 5.010 4.812 0.198 1
1 821 . 6 1 1 A 85 85 CYS CA C 85 54.594 56.936 -2.342 1
1 822 . 6 1 1 A 85 85 CYS CB C 85 26.847 29.639 -2.792 1
1 823 . 6 1 1 A 85 85 CYS N N 85 124.244 127.020 -2.776 1
1 824 . 6 1 1 A 86 86 GLU H H 86 9.051 8.389 0.662 1
1 825 . 6 1 1 A 86 86 GLU HA H 86 5.304 5.012 0.292 1
1 830 . 6 1 1 A 86 86 GLU CA C 86 54.424 55.420 -0.996 1
1 831 . 6 1 1 A 86 86 GLU CB C 86 34.037 31.553 2.484 1
1 832 . 6 1 1 A 86 86 GLU N N 86 128.372 126.065 2.307 1
1 833 . 6 1 1 A 87 87 ALA H H 87 8.758 8.501 0.257 1
1 834 . 6 1 1 A 87 87 ALA HA H 87 5.520 5.392 0.128 1
1 838 . 6 1 1 A 87 87 ALA CA C 87 49.578 50.465 -0.887 1
1 839 . 6 1 1 A 87 87 ALA N N 87 122.903 125.453 -2.550 1
1 840 . 6 1 1 A 88 88 ASP H H 88 8.849 8.306 0.543 1
1 841 . 6 1 1 A 88 88 ASP HA H 88 5.146 5.317 -0.171 1
1 844 . 6 1 1 A 88 88 ASP CA C 88 53.299 53.234 0.065 1
1 845 . 6 1 1 A 88 88 ASP CB C 88 46.981 44.897 2.084 1
1 846 . 6 1 1 A 88 88 ASP N N 88 119.653 120.555 -0.902 1
1 847 . 6 1 1 A 89 89 THR H H 89 9.780 8.458 1.322 1
1 848 . 6 1 1 A 89 89 THR HA H 89 4.940 4.579 0.361 1
1 853 . 6 1 1 A 89 89 THR CA C 89 63.221 62.762 0.459 1
1 854 . 6 1 1 A 89 89 THR CB C 89 69.269 70.448 -1.179 1
1 856 . 6 1 1 A 89 89 THR N N 89 120.857 114.985 5.872 1
1 857 . 6 1 1 A 90 90 LEU H H 90 10.670 8.180 2.490 1
1 858 . 6 1 1 A 90 90 LEU HA H 90 3.619 3.922 -0.303 1
1 868 . 6 1 1 A 90 90 LEU CA C 90 55.620 56.232 -0.612 1
1 869 . 6 1 1 A 90 90 LEU CB C 90 38.653 40.153 -1.500 1
1 873 . 6 1 1 A 90 90 LEU N N 90 121.028 117.951 3.077 1
1 874 . 6 1 1 A 91 91 GLY H H 91 8.606 8.583 0.023 1
1 875 . 6 1 1 A 91 91 GLY HA2 H 91 3.500 3.872 -0.372 1
1 876 . 6 1 1 A 91 91 GLY HA3 H 91 3.680 3.882 -0.202 1
1 877 . 6 1 1 A 91 91 GLY CA C 91 46.299 45.959 0.340 1
1 878 . 6 1 1 A 91 91 GLY N N 91 107.743 105.914 1.829 1
1 879 . 6 1 1 A 92 92 SER H H 92 8.126 8.858 -0.732 1
1 880 . 6 1 1 A 92 92 SER HA H 92 4.078 4.661 -0.583 1
1 883 . 6 1 1 A 92 92 SER CA C 92 59.779 57.462 2.317 1
1 884 . 6 1 1 A 92 92 SER CB C 92 65.161 61.509 3.652 1
1 885 . 6 1 1 A 92 92 SER N N 92 112.753 117.366 -4.613 1
1 886 . 6 1 1 A 93 93 CYS H H 93 9.001 9.024 -0.023 1
1 887 . 6 1 1 A 93 93 CYS HA H 93 3.617 4.500 -0.883 1
1 890 . 6 1 1 A 93 93 CYS CA C 93 59.953 58.507 1.446 1
1 891 . 6 1 1 A 93 93 CYS CB C 93 25.176 26.197 -1.021 1
1 892 . 6 1 1 A 93 93 CYS N N 93 119.159 126.164 -7.005 1
1 893 . 6 1 1 A 94 94 GLY H H 94 8.795 8.672 0.123 1
1 894 . 6 1 1 A 94 94 GLY HA2 H 94 4.063 3.922 0.141 1
1 895 . 6 1 1 A 94 94 GLY HA3 H 94 3.503 4.046 -0.543 1
1 896 . 6 1 1 A 94 94 GLY CA C 94 46.150 45.416 0.734 1
1 897 . 6 1 1 A 94 94 GLY N N 94 105.924 108.367 -2.443 1
1 898 . 6 1 1 A 95 95 TYR H H 95 8.144 7.861 0.283 1
1 899 . 6 1 1 A 95 95 TYR HA H 95 5.743 4.996 0.747 1
1 906 . 6 1 1 A 95 95 TYR CA C 95 54.818 56.363 -1.545 1
1 907 . 6 1 1 A 95 95 TYR CB C 95 41.503 42.898 -1.395 1
1 912 . 6 1 1 A 95 95 TYR N N 95 118.757 118.742 0.015 1
1 913 . 6 1 1 A 96 96 VAL H H 96 8.280 8.300 -0.020 1
1 914 . 6 1 1 A 96 96 VAL HA H 96 4.082 4.579 -0.497 1
1 922 . 6 1 1 A 96 96 VAL CA C 96 62.593 61.477 1.116 1
1 923 . 6 1 1 A 96 96 VAL CB C 96 34.676 34.360 0.316 1
1 926 . 6 1 1 A 96 96 VAL N N 96 117.579 120.316 -2.737 1
1 927 . 6 1 1 A 97 97 TYR H H 97 9.171 8.705 0.466 1
1 928 . 6 1 1 A 97 97 TYR HA H 97 4.987 5.075 -0.088 1
1 935 . 6 1 1 A 97 97 TYR CA C 97 57.046 57.473 -0.427 1
1 936 . 6 1 1 A 97 97 TYR CB C 97 39.334 40.130 -0.796 1
1 941 . 6 1 1 A 97 97 TYR N N 97 129.228 125.832 3.396 1
1 942 . 6 1 1 A 98 98 ILE H H 98 8.739 9.004 -0.265 1
1 943 . 6 1 1 A 98 98 ILE HA H 98 6.098 5.188 0.910 1
1 953 . 6 1 1 A 98 98 ILE CA C 98 57.878 59.456 -1.578 1
1 954 . 6 1 1 A 98 98 ILE CB C 98 43.028 42.604 0.424 1
1 958 . 6 1 1 A 98 98 ILE N N 98 112.588 118.646 -6.058 1
1 959 . 6 1 1 A 99 99 ALA H H 99 8.867 8.380 0.487 1
1 960 . 6 1 1 A 99 99 ALA HA H 99 5.507 5.232 0.275 1
1 964 . 6 1 1 A 99 99 ALA CA C 99 51.757 51.207 0.550 1
1 965 . 6 1 1 A 99 99 ALA CB C 99 21.801 23.946 -2.145 1
1 966 . 6 1 1 A 99 99 ALA N N 99 124.370 123.387 0.983 1
1 967 . 6 1 1 A 100 100 VAL H H 100 9.706 8.726 0.980 1
1 968 . 6 1 1 A 100 100 VAL HA H 100 5.238 4.819 0.419 1
1 976 . 6 1 1 A 100 100 VAL CA C 100 60.077 59.873 0.204 1
1 977 . 6 1 1 A 100 100 VAL CB C 100 34.166 35.197 -1.031 1
1 980 . 6 1 1 A 100 100 VAL N N 100 122.354 114.325 8.029 1
1 981 . 6 1 1 A 101 101 TYR H H 101 8.833 8.322 0.511 1
1 982 . 6 1 1 A 101 101 TYR HA H 101 5.529 5.234 0.295 1
1 985 . 6 1 1 A 101 101 TYR CA C 101 54.118 55.614 -1.496 1
1 986 . 6 1 1 A 101 101 TYR CB C 101 37.597 39.038 -1.441 1
1 987 . 6 1 1 A 101 101 TYR N N 101 123.413 120.032 3.381 1
1 988 . 6 1 1 A 102 102 PRO HA H 102 4.198 4.512 -0.314 1
1 993 . 6 1 1 A 102 102 PRO CA C 102 61.976 63.070 -1.094 1
1 994 . 6 1 1 A 102 102 PRO CB C 102 31.325 32.188 -0.863 1
1 996 . 6 1 1 A 103 103 THR H H 103 8.740 8.589 0.151 1
1 997 . 6 1 1 A 103 103 THR HA H 103 3.983 4.304 -0.321 1
1 1002 . 6 1 1 A 103 103 THR CA C 103 64.447 63.231 1.216 1
1 1003 . 6 1 1 A 103 103 THR CB C 103 68.595 69.157 -0.562 1
1 1005 . 6 1 1 A 103 103 THR N N 103 122.463 117.601 4.862 1
1 1006 . 6 1 1 A 104 104 GLN H H 104 8.672 8.762 -0.090 1
1 1007 . 6 1 1 A 104 104 GLN HA H 104 4.309 3.979 0.330 1
1 1010 . 6 1 1 A 104 104 GLN CA C 104 54.989 59.517 -4.528 1
1 1011 . 6 1 1 A 104 104 GLN CB C 104 29.277 28.417 0.860 1
1 1012 . 6 1 1 A 104 104 GLN N N 104 123.452 125.569 -2.117 1
1 1 . 7 1 1 A 3 3 ASN HA H 3 4.740 5.293 -0.553 1
1 4 . 7 1 1 A 3 3 ASN CA C 3 52.719 51.920 0.799 1
1 5 . 7 1 1 A 3 3 ASN CB C 3 38.344 42.492 -4.148 1
1 6 . 7 1 1 A 4 4 THR H H 4 8.142 8.537 -0.395 1
1 7 . 7 1 1 A 4 4 THR HA H 4 4.059 4.207 -0.148 1
1 12 . 7 1 1 A 4 4 THR CA C 4 61.542 63.382 -1.840 1
1 13 . 7 1 1 A 4 4 THR CB C 4 69.257 69.448 -0.191 1
1 15 . 7 1 1 A 4 4 THR N N 4 116.100 118.699 -2.599 1
1 16 . 7 1 1 A 5 5 THR H H 5 7.898 8.596 -0.698 1
1 17 . 7 1 1 A 5 5 THR HA H 5 4.167 4.895 -0.728 1
1 22 . 7 1 1 A 5 5 THR CA C 5 60.219 61.104 -0.885 1
1 23 . 7 1 1 A 5 5 THR CB C 5 69.457 71.391 -1.934 1
1 25 . 7 1 1 A 5 5 THR N N 5 117.796 123.141 -5.345 1
1 26 . 7 1 1 A 6 6 TRP H H 6 8.248 8.930 -0.682 1
1 27 . 7 1 1 A 6 6 TRP HA H 6 4.608 5.121 -0.513 1
1 36 . 7 1 1 A 6 6 TRP CA C 6 55.971 56.212 -0.241 1
1 37 . 7 1 1 A 6 6 TRP CB C 6 32.251 31.759 0.492 1
1 43 . 7 1 1 A 6 6 TRP N N 6 123.584 127.232 -3.648 1
1 45 . 7 1 1 A 7 7 GLY H H 7 8.590 8.605 -0.015 1
1 46 . 7 1 1 A 7 7 GLY HA2 H 7 4.668 4.231 0.437 1
1 47 . 7 1 1 A 7 7 GLY HA3 H 7 3.904 4.237 -0.333 1
1 48 . 7 1 1 A 7 7 GLY CA C 7 44.451 44.320 0.131 1
1 49 . 7 1 1 A 7 7 GLY N N 7 103.966 110.554 -6.588 1
1 50 . 7 1 1 A 8 8 LEU H H 8 6.805 8.625 -1.820 1
1 51 . 7 1 1 A 8 8 LEU HA H 8 4.204 4.283 -0.079 1
1 60 . 7 1 1 A 8 8 LEU CA C 8 53.799 55.270 -1.471 1
1 61 . 7 1 1 A 8 8 LEU CB C 8 42.762 42.421 0.341 1
1 62 . 7 1 1 A 8 8 LEU N N 8 119.119 122.777 -3.658 1
1 63 . 7 1 1 A 9 9 GLN H H 9 9.078 8.504 0.574 1
1 64 . 7 1 1 A 9 9 GLN HA H 9 4.105 4.822 -0.717 1
1 69 . 7 1 1 A 9 9 GLN CA C 9 55.604 55.353 0.251 1
1 70 . 7 1 1 A 9 9 GLN CB C 9 26.867 29.653 -2.786 1
1 71 . 7 1 1 A 9 9 GLN N N 9 124.351 121.503 2.848 1
1 72 . 7 1 1 A 10 10 ARG H H 10 6.912 8.572 -1.660 1
1 73 . 7 1 1 A 10 10 ARG HA H 10 4.536 4.725 -0.189 1
1 80 . 7 1 1 A 10 10 ARG CA C 10 51.817 54.668 -2.851 1
1 81 . 7 1 1 A 10 10 ARG CB C 10 34.485 31.293 3.192 1
1 83 . 7 1 1 A 10 10 ARG N N 10 125.940 122.435 3.505 1
1 84 . 7 1 1 A 11 11 ASP H H 11 8.544 8.909 -0.365 1
1 85 . 7 1 1 A 11 11 ASP HA H 11 4.633 4.367 0.266 1
1 88 . 7 1 1 A 11 11 ASP CA C 11 52.853 57.012 -4.159 1
1 89 . 7 1 1 A 11 11 ASP CB C 11 39.641 39.983 -0.342 1
1 90 . 7 1 1 A 11 11 ASP N N 11 121.026 117.765 3.261 1
1 91 . 7 1 1 A 12 12 ILE H H 12 6.828 7.690 -0.862 1
1 92 . 7 1 1 A 12 12 ILE HA H 12 3.890 4.177 -0.287 1
1 102 . 7 1 1 A 12 12 ILE CA C 12 60.042 60.987 -0.945 1
1 103 . 7 1 1 A 12 12 ILE CB C 12 40.957 38.754 2.203 1
1 107 . 7 1 1 A 12 12 ILE N N 12 120.620 116.826 3.794 1
1 108 . 7 1 1 A 13 13 THR H H 13 7.910 8.719 -0.809 1
1 109 . 7 1 1 A 13 13 THR HA H 13 4.330 4.193 0.137 1
1 114 . 7 1 1 A 13 13 THR CB C 13 70.524 68.922 1.602 1
1 115 . 7 1 1 A 13 13 THR N N 13 118.106 117.497 0.609 1
1 116 . 7 1 1 A 14 14 PRO HA H 14 4.884 4.818 0.066 1
1 122 . 7 1 1 A 14 14 PRO CA C 14 61.777 62.345 -0.568 1
1 123 . 7 1 1 A 14 14 PRO CB C 14 33.621 32.385 1.236 1
1 125 . 7 1 1 A 15 15 ARG H H 15 8.312 9.028 -0.716 1
1 126 . 7 1 1 A 15 15 ARG HA H 15 5.484 4.917 0.567 1
1 131 . 7 1 1 A 15 15 ARG CA C 15 54.493 55.567 -1.074 1
1 132 . 7 1 1 A 15 15 ARG CB C 15 33.621 34.320 -0.699 1
1 133 . 7 1 1 A 15 15 ARG N N 15 111.571 121.585 -10.014 1
1 134 . 7 1 1 A 16 16 LEU H H 16 9.729 8.940 0.789 1
1 135 . 7 1 1 A 16 16 LEU HA H 16 5.329 5.160 0.169 1
1 144 . 7 1 1 A 16 16 LEU CA C 16 53.650 53.877 -0.227 1
1 145 . 7 1 1 A 16 16 LEU CB C 16 44.521 44.809 -0.288 1
1 148 . 7 1 1 A 16 16 LEU N N 16 125.998 124.840 1.158 1
1 149 . 7 1 1 A 17 17 GLY H H 17 9.504 9.130 0.374 1
1 150 . 7 1 1 A 17 17 GLY HA2 H 17 5.346 4.245 1.101 1
1 151 . 7 1 1 A 17 17 GLY HA3 H 17 4.211 4.279 -0.068 1
1 152 . 7 1 1 A 17 17 GLY CA C 17 43.759 44.419 -0.660 1
1 153 . 7 1 1 A 17 17 GLY N N 17 114.627 114.239 0.388 1
1 154 . 7 1 1 A 18 18 ALA H H 18 7.733 8.847 -1.114 1
1 155 . 7 1 1 A 18 18 ALA HA H 18 5.244 4.680 0.564 1
1 159 . 7 1 1 A 18 18 ALA CA C 18 51.532 51.503 0.029 1
1 160 . 7 1 1 A 18 18 ALA CB C 18 22.204 18.988 3.216 1
1 161 . 7 1 1 A 18 18 ALA N N 18 119.712 122.672 -2.960 1
1 162 . 7 1 1 A 19 19 ARG H H 19 8.363 8.700 -0.337 1
1 163 . 7 1 1 A 19 19 ARG HA H 19 4.632 4.777 -0.145 1
1 166 . 7 1 1 A 19 19 ARG CA C 19 54.915 56.230 -1.315 1
1 167 . 7 1 1 A 19 19 ARG CB C 19 31.971 31.146 0.825 1
1 168 . 7 1 1 A 19 19 ARG N N 19 122.423 121.813 0.610 1
1 169 . 7 1 1 A 20 20 LEU H H 20 9.540 8.920 0.620 1
1 170 . 7 1 1 A 20 20 LEU HA H 20 4.703 4.964 -0.261 1
1 179 . 7 1 1 A 20 20 LEU CA C 20 54.103 52.659 1.444 1
1 180 . 7 1 1 A 20 20 LEU CB C 20 42.688 44.334 -1.646 1
1 183 . 7 1 1 A 20 20 LEU N N 20 130.686 121.347 9.339 1
1 184 . 7 1 1 A 21 21 VAL H H 21 8.352 8.297 0.055 1
1 185 . 7 1 1 A 21 21 VAL HA H 21 4.346 4.896 -0.550 1
1 193 . 7 1 1 A 21 21 VAL CA C 21 61.817 59.982 1.835 1
1 194 . 7 1 1 A 21 21 VAL CB C 21 33.976 33.709 0.267 1
1 197 . 7 1 1 A 21 21 VAL N N 21 120.930 115.888 5.042 1
1 198 . 7 1 1 A 22 22 GLN H H 22 8.319 8.425 -0.106 1
1 199 . 7 1 1 A 22 22 GLN HA H 22 4.646 4.382 0.264 1
1 204 . 7 1 1 A 22 22 GLN CA C 22 54.818 54.892 -0.074 1
1 205 . 7 1 1 A 22 22 GLN CB C 22 29.251 28.439 0.812 1
1 206 . 7 1 1 A 22 22 GLN N N 22 127.936 124.884 3.052 1
1 207 . 7 1 1 A 23 23 GLU H H 23 8.667 8.665 0.002 1
1 208 . 7 1 1 A 23 23 GLU HA H 23 4.370 4.125 0.245 1
1 211 . 7 1 1 A 23 23 GLU CA C 23 54.495 58.930 -4.435 1
1 212 . 7 1 1 A 23 23 GLU CB C 23 30.618 30.573 0.045 1
1 213 . 7 1 1 A 23 23 GLU N N 23 129.097 127.483 1.614 1
1 214 . 7 1 1 A 24 24 GLY H H 24 8.949 6.937 2.012 1
1 215 . 7 1 1 A 24 24 GLY HA2 H 24 3.879 3.972 -0.093 1
1 216 . 7 1 1 A 24 24 GLY HA3 H 24 3.543 3.985 -0.442 1
1 217 . 7 1 1 A 24 24 GLY CA C 24 46.645 46.084 0.561 1
1 218 . 7 1 1 A 24 24 GLY N N 24 117.894 107.149 10.745 1
1 219 . 7 1 1 A 25 25 ASN H H 25 8.747 8.663 0.084 1
1 220 . 7 1 1 A 25 25 ASN HA H 25 4.700 4.791 -0.091 1
1 223 . 7 1 1 A 25 25 ASN CA C 25 52.331 53.219 -0.888 1
1 224 . 7 1 1 A 25 25 ASN CB C 25 37.827 39.226 -1.399 1
1 225 . 7 1 1 A 25 25 ASN N N 25 124.981 122.024 2.957 1
1 226 . 7 1 1 A 26 26 GLN H H 26 7.811 7.698 0.113 1
1 227 . 7 1 1 A 26 26 GLN HA H 26 4.498 4.671 -0.173 1
1 232 . 7 1 1 A 26 26 GLN CA C 26 53.969 54.605 -0.636 1
1 233 . 7 1 1 A 26 26 GLN CB C 26 31.577 31.871 -0.294 1
1 235 . 7 1 1 A 26 26 GLN N N 26 117.634 115.754 1.880 1
1 236 . 7 1 1 A 27 27 LEU H H 27 9.306 8.866 0.440 1
1 237 . 7 1 1 A 27 27 LEU HA H 27 4.973 4.985 -0.012 1
1 246 . 7 1 1 A 27 27 LEU CA C 27 52.106 53.387 -1.281 1
1 247 . 7 1 1 A 27 27 LEU CB C 27 44.645 43.051 1.594 1
1 250 . 7 1 1 A 27 27 LEU N N 27 121.896 123.830 -1.934 1
1 251 . 7 1 1 A 28 28 HIS H H 28 8.998 8.656 0.342 1
1 252 . 7 1 1 A 28 28 HIS HA H 28 4.860 4.943 -0.083 1
1 255 . 7 1 1 A 28 28 HIS CA C 28 53.461 55.169 -1.708 1
1 256 . 7 1 1 A 28 28 HIS CB C 28 30.884 31.199 -0.315 1
1 257 . 7 1 1 A 28 28 HIS N N 28 119.141 125.135 -5.994 1
1 258 . 7 1 1 A 29 29 TYR H H 29 8.811 9.292 -0.481 1
1 259 . 7 1 1 A 29 29 TYR HA H 29 4.571 4.892 -0.321 1
1 266 . 7 1 1 A 29 29 TYR CA C 29 56.308 56.701 -0.393 1
1 267 . 7 1 1 A 29 29 TYR CB C 29 38.935 39.990 -1.055 1
1 272 . 7 1 1 A 29 29 TYR N N 29 124.729 131.495 -6.766 1
1 273 . 7 1 1 A 30 30 LEU H H 30 8.677 8.334 0.343 1
1 274 . 7 1 1 A 30 30 LEU HA H 30 4.275 4.361 -0.086 1
1 283 . 7 1 1 A 30 30 LEU CA C 30 52.463 54.198 -1.735 1
1 284 . 7 1 1 A 30 30 LEU CB C 30 42.668 40.815 1.853 1
1 287 . 7 1 1 A 30 30 LEU N N 30 131.620 129.415 2.205 1
1 288 . 7 1 1 A 31 31 ALA H H 31 8.503 8.915 -0.412 1
1 289 . 7 1 1 A 31 31 ALA HA H 31 3.606 3.996 -0.390 1
1 293 . 7 1 1 A 31 31 ALA CA C 31 54.068 55.147 -1.079 1
1 294 . 7 1 1 A 31 31 ALA CB C 31 17.576 18.422 -0.846 1
1 295 . 7 1 1 A 31 31 ALA N N 31 128.548 128.107 0.441 1
1 296 . 7 1 1 A 32 32 ASP H H 32 8.102 8.186 -0.084 1
1 297 . 7 1 1 A 32 32 ASP HA H 32 4.531 4.356 0.175 1
1 300 . 7 1 1 A 32 32 ASP CA C 32 53.266 56.314 -3.048 1
1 301 . 7 1 1 A 32 32 ASP CB C 32 38.572 40.352 -1.780 1
1 302 . 7 1 1 A 32 32 ASP N N 32 111.569 117.640 -6.071 1
1 303 . 7 1 1 A 33 33 ARG H H 33 7.346 7.584 -0.238 1
1 304 . 7 1 1 A 33 33 ARG HA H 33 2.688 3.811 -1.123 1
1 309 . 7 1 1 A 33 33 ARG CA C 33 51.257 55.033 -3.776 1
1 310 . 7 1 1 A 33 33 ARG CB C 33 28.426 30.025 -1.599 1
1 311 . 7 1 1 A 33 33 ARG N N 33 122.483 116.782 5.701 1
1 312 . 7 1 1 A 34 34 ALA H H 34 6.661 7.385 -0.724 1
1 313 . 7 1 1 A 34 34 ALA HA H 34 5.275 4.614 0.661 1
1 317 . 7 1 1 A 34 34 ALA CA C 34 50.673 51.670 -0.997 1
1 318 . 7 1 1 A 34 34 ALA CB C 34 23.479 22.678 0.801 1
1 319 . 7 1 1 A 34 34 ALA N N 34 120.854 121.081 -0.227 1
1 320 . 7 1 1 A 35 35 SER H H 35 9.494 8.911 0.583 1
1 321 . 7 1 1 A 35 35 SER HA H 35 4.962 4.958 0.004 1
1 324 . 7 1 1 A 35 35 SER CA C 35 57.438 57.616 -0.178 1
1 325 . 7 1 1 A 35 35 SER CB C 35 66.260 64.822 1.438 1
1 326 . 7 1 1 A 35 35 SER N N 35 114.094 120.027 -5.933 1
1 327 . 7 1 1 A 36 36 ILE H H 36 8.989 8.388 0.601 1
1 328 . 7 1 1 A 36 36 ILE HA H 36 5.199 4.721 0.478 1
1 338 . 7 1 1 A 36 36 ILE CA C 36 59.982 59.913 0.069 1
1 339 . 7 1 1 A 36 36 ILE CB C 36 39.235 40.435 -1.200 1
1 343 . 7 1 1 A 36 36 ILE N N 36 125.993 123.915 2.078 1
1 344 . 7 1 1 A 37 37 THR H H 37 9.107 9.020 0.087 1
1 345 . 7 1 1 A 37 37 THR HA H 37 4.478 4.807 -0.329 1
1 350 . 7 1 1 A 37 37 THR CA C 37 62.063 61.308 0.755 1
1 351 . 7 1 1 A 37 37 THR CB C 37 69.419 71.795 -2.376 1
1 352 . 7 1 1 A 37 37 THR N N 37 126.763 124.123 2.640 1
1 353 . 7 1 1 A 38 38 GLY H H 38 8.546 8.456 0.090 1
1 354 . 7 1 1 A 38 38 GLY HA2 H 38 3.556 3.806 -0.250 1
1 355 . 7 1 1 A 38 38 GLY HA3 H 38 3.968 3.930 0.038 1
1 356 . 7 1 1 A 38 38 GLY CA C 38 43.487 44.561 -1.074 1
1 357 . 7 1 1 A 38 38 GLY N N 38 113.541 113.351 0.190 1
1 358 . 7 1 1 A 39 39 LYS H H 39 8.131 8.137 -0.006 1
1 359 . 7 1 1 A 39 39 LYS HA H 39 4.511 4.461 0.050 1
1 366 . 7 1 1 A 39 39 LYS CA C 39 54.562 55.350 -0.788 1
1 367 . 7 1 1 A 39 39 LYS CB C 39 34.646 33.590 1.056 1
1 370 . 7 1 1 A 39 39 LYS N N 39 119.477 119.208 0.269 1
1 371 . 7 1 1 A 40 40 PHE H H 40 8.739 8.952 -0.213 1
1 372 . 7 1 1 A 40 40 PHE HA H 40 4.482 4.887 -0.405 1
1 380 . 7 1 1 A 40 40 PHE CA C 40 58.592 56.679 1.913 1
1 381 . 7 1 1 A 40 40 PHE CB C 40 39.593 41.419 -1.826 1
1 387 . 7 1 1 A 40 40 PHE N N 40 125.875 123.095 2.780 1
1 388 . 7 1 1 A 41 41 SER H H 41 9.825 8.923 0.902 1
1 389 . 7 1 1 A 41 41 SER HA H 41 4.484 4.545 -0.061 1
1 392 . 7 1 1 A 41 41 SER CA C 41 57.383 58.645 -1.262 1
1 393 . 7 1 1 A 41 41 SER CB C 41 64.570 64.245 0.325 1
1 394 . 7 1 1 A 41 41 SER N N 41 120.297 120.272 0.025 1
1 395 . 7 1 1 A 42 42 ASP H H 42 8.944 9.037 -0.093 1
1 396 . 7 1 1 A 42 42 ASP HA H 42 4.493 4.377 0.116 1
1 399 . 7 1 1 A 42 42 ASP CA C 42 57.068 56.742 0.326 1
1 400 . 7 1 1 A 42 42 ASP CB C 42 39.471 40.401 -0.930 1
1 401 . 7 1 1 A 42 42 ASP N N 42 121.339 124.670 -3.331 1
1 402 . 7 1 1 A 43 43 ALA H H 43 8.071 7.765 0.306 1
1 403 . 7 1 1 A 43 43 ALA HA H 43 4.254 4.175 0.079 1
1 407 . 7 1 1 A 43 43 ALA CA C 43 53.245 53.087 0.158 1
1 408 . 7 1 1 A 43 43 ALA CB C 43 18.716 19.141 -0.425 1
1 409 . 7 1 1 A 43 43 ALA N N 43 119.592 121.328 -1.736 1
1 410 . 7 1 1 A 44 44 GLU H H 44 7.860 7.898 -0.038 1
1 411 . 7 1 1 A 44 44 GLU HA H 44 4.164 4.499 -0.335 1
1 414 . 7 1 1 A 44 44 GLU CA C 44 57.748 56.938 0.810 1
1 415 . 7 1 1 A 44 44 GLU CB C 44 30.832 30.580 0.252 1
1 416 . 7 1 1 A 44 44 GLU N N 44 117.391 116.349 1.042 1
1 417 . 7 1 1 A 45 45 CYS H H 45 8.212 8.657 -0.445 1
1 418 . 7 1 1 A 45 45 CYS HA H 45 4.010 4.019 -0.009 1
1 421 . 7 1 1 A 45 45 CYS CA C 45 65.262 63.512 1.750 1
1 422 . 7 1 1 A 45 45 CYS CB C 45 24.356 26.616 -2.260 1
1 423 . 7 1 1 A 45 45 CYS N N 45 117.475 120.301 -2.826 1
1 424 . 7 1 1 A 46 46 PRO HA H 46 4.406 4.197 0.209 1
1 427 . 7 1 1 A 46 46 PRO CA C 46 64.575 66.162 -1.587 1
1 428 . 7 1 1 A 46 46 PRO CB C 46 30.339 30.809 -0.470 1
1 429 . 7 1 1 A 47 47 LYS H H 47 6.825 8.418 -1.593 1
1 430 . 7 1 1 A 47 47 LYS HA H 47 4.032 4.028 0.004 1
1 437 . 7 1 1 A 47 47 LYS CA C 47 57.897 58.974 -1.077 1
1 438 . 7 1 1 A 47 47 LYS CB C 47 32.303 31.829 0.474 1
1 440 . 7 1 1 A 47 47 LYS N N 47 116.096 118.385 -2.289 1
1 441 . 7 1 1 A 48 48 LEU H H 48 7.980 7.371 0.609 1
1 442 . 7 1 1 A 48 48 LEU HA H 48 3.252 3.889 -0.637 1
1 451 . 7 1 1 A 48 48 LEU CA C 48 57.086 57.654 -0.568 1
1 452 . 7 1 1 A 48 48 LEU CB C 48 40.525 41.694 -1.169 1
1 455 . 7 1 1 A 48 48 LEU N N 48 122.611 121.502 1.109 1
1 456 . 7 1 1 A 49 49 ASP H H 49 7.219 7.679 -0.460 1
1 457 . 7 1 1 A 49 49 ASP HA H 49 4.221 4.312 -0.091 1
1 460 . 7 1 1 A 49 49 ASP CA C 49 56.273 56.052 0.221 1
1 461 . 7 1 1 A 49 49 ASP CB C 49 40.150 40.431 -0.281 1
1 462 . 7 1 1 A 49 49 ASP N N 49 115.153 118.326 -3.173 1
1 463 . 7 1 1 A 50 50 VAL H H 50 7.057 7.350 -0.293 1
1 464 . 7 1 1 A 50 50 VAL HA H 50 3.921 3.643 0.278 1
1 472 . 7 1 1 A 50 50 VAL CA C 50 63.679 65.806 -2.127 1
1 473 . 7 1 1 A 50 50 VAL CB C 50 32.269 31.863 0.406 1
1 476 . 7 1 1 A 50 50 VAL N N 50 115.474 120.029 -4.555 1
1 477 . 7 1 1 A 51 51 VAL H H 51 8.071 7.411 0.660 1
1 478 . 7 1 1 A 51 51 VAL HA H 51 3.805 3.901 -0.096 1
1 486 . 7 1 1 A 51 51 VAL CA C 51 63.650 65.816 -2.166 1
1 487 . 7 1 1 A 51 51 VAL CB C 51 31.130 31.402 -0.272 1
1 490 . 7 1 1 A 51 51 VAL N N 51 116.526 116.479 0.047 1
1 491 . 7 1 1 A 52 52 PHE H H 52 8.203 7.963 0.240 1
1 492 . 7 1 1 A 52 52 PHE HA H 52 4.382 4.336 0.046 1
1 497 . 7 1 1 A 52 52 PHE CA C 52 63.038 61.422 1.616 1
1 498 . 7 1 1 A 52 52 PHE CB C 52 36.263 37.493 -1.230 1
1 501 . 7 1 1 A 52 52 PHE N N 52 121.336 121.295 0.041 1
1 502 . 7 1 1 A 53 53 PRO HA H 53 3.930 4.302 -0.372 1
1 507 . 7 1 1 A 53 53 PRO CA C 53 65.098 66.076 -0.978 1
1 508 . 7 1 1 A 53 53 PRO CB C 53 30.053 30.954 -0.901 1
1 509 . 7 1 1 A 54 54 HIS H H 54 6.741 7.370 -0.629 1
1 510 . 7 1 1 A 54 54 HIS HA H 54 4.041 4.217 -0.176 1
1 513 . 7 1 1 A 54 54 HIS CA C 54 59.100 59.596 -0.496 1
1 514 . 7 1 1 A 54 54 HIS CB C 54 28.478 29.954 -1.476 1
1 515 . 7 1 1 A 54 54 HIS N N 54 116.851 116.638 0.213 1
1 516 . 7 1 1 A 55 55 PHE H H 55 7.902 8.170 -0.268 1
1 517 . 7 1 1 A 55 55 PHE HA H 55 4.230 3.959 0.271 1
1 522 . 7 1 1 A 55 55 PHE CA C 55 59.471 61.462 -1.991 1
1 523 . 7 1 1 A 55 55 PHE CB C 55 37.210 39.300 -2.090 1
1 526 . 7 1 1 A 55 55 PHE N N 55 118.222 119.339 -1.117 1
1 527 . 7 1 1 A 56 56 ILE H H 56 7.812 7.943 -0.131 1
1 528 . 7 1 1 A 56 56 ILE HA H 56 3.176 3.600 -0.424 1
1 538 . 7 1 1 A 56 56 ILE CA C 56 64.446 64.340 0.106 1
1 539 . 7 1 1 A 56 56 ILE CB C 56 35.405 36.723 -1.318 1
1 542 . 7 1 1 A 56 56 ILE N N 56 117.686 119.828 -2.142 1
1 543 . 7 1 1 A 57 57 SER H H 57 7.660 8.987 -1.327 1
1 544 . 7 1 1 A 57 57 SER HA H 57 4.230 4.144 0.086 1
1 547 . 7 1 1 A 57 57 SER CA C 57 60.942 61.317 -0.375 1
1 548 . 7 1 1 A 57 57 SER CB C 57 62.062 62.888 -0.826 1
1 549 . 7 1 1 A 57 57 SER N N 57 113.709 116.681 -2.972 1
1 550 . 7 1 1 A 58 58 GLN H H 58 7.830 7.715 0.115 1
1 551 . 7 1 1 A 58 58 GLN HA H 58 3.934 4.050 -0.116 1
1 554 . 7 1 1 A 58 58 GLN CA C 58 58.232 58.520 -0.288 1
1 555 . 7 1 1 A 58 58 GLN CB C 58 28.502 28.419 0.083 1
1 556 . 7 1 1 A 58 58 GLN N N 58 121.550 120.056 1.494 1
1 557 . 7 1 1 A 59 59 ILE H H 59 8.482 7.677 0.805 1
1 558 . 7 1 1 A 59 59 ILE HA H 59 3.434 3.699 -0.265 1
1 568 . 7 1 1 A 59 59 ILE CA C 59 65.096 62.906 2.190 1
1 569 . 7 1 1 A 59 59 ILE CB C 59 36.901 37.078 -0.177 1
1 572 . 7 1 1 A 59 59 ILE N N 59 121.796 120.333 1.463 1
1 573 . 7 1 1 A 60 60 GLU H H 60 8.450 8.002 0.448 1
1 574 . 7 1 1 A 60 60 GLU HA H 60 3.705 3.934 -0.229 1
1 579 . 7 1 1 A 60 60 GLU CA C 60 59.896 59.771 0.125 1
1 580 . 7 1 1 A 60 60 GLU CB C 60 29.133 29.502 -0.369 1
1 581 . 7 1 1 A 60 60 GLU N N 60 119.765 122.026 -2.261 1
1 582 . 7 1 1 A 61 61 SER H H 61 7.815 7.766 0.049 1
1 583 . 7 1 1 A 61 61 SER HA H 61 4.226 4.193 0.033 1
1 586 . 7 1 1 A 61 61 SER CA C 61 61.382 61.724 -0.342 1
1 587 . 7 1 1 A 61 61 SER N N 61 114.979 117.301 -2.322 1
1 588 . 7 1 1 A 62 62 MET H H 62 7.878 7.806 0.072 1
1 589 . 7 1 1 A 62 62 MET HA H 62 4.390 4.299 0.091 1
1 595 . 7 1 1 A 62 62 MET CA C 62 58.334 58.131 0.203 1
1 596 . 7 1 1 A 62 62 MET CB C 62 33.326 32.240 1.086 1
1 597 . 7 1 1 A 62 62 MET N N 62 120.947 121.355 -0.408 1
1 598 . 7 1 1 A 63 63 LEU H H 63 8.179 7.846 0.333 1
1 599 . 7 1 1 A 63 63 LEU HA H 63 4.333 3.941 0.392 1
1 609 . 7 1 1 A 63 63 LEU CA C 63 56.920 57.931 -1.011 1
1 610 . 7 1 1 A 63 63 LEU CB C 63 40.871 41.587 -0.716 1
1 613 . 7 1 1 A 63 63 LEU N N 63 121.156 119.614 1.542 1
1 614 . 7 1 1 A 64 64 THR H H 64 7.913 7.284 0.629 1
1 615 . 7 1 1 A 64 64 THR HA H 64 3.980 4.107 -0.127 1
1 620 . 7 1 1 A 64 64 THR CA C 64 65.633 65.993 -0.360 1
1 621 . 7 1 1 A 64 64 THR CB C 64 68.205 69.236 -1.031 1
1 622 . 7 1 1 A 64 64 THR N N 64 116.077 114.650 1.427 1
1 623 . 7 1 1 A 65 65 THR H H 65 8.138 8.873 -0.735 1
1 624 . 7 1 1 A 65 65 THR HA H 65 4.224 4.071 0.153 1
1 629 . 7 1 1 A 65 65 THR CA C 65 62.390 65.392 -3.002 1
1 630 . 7 1 1 A 65 65 THR CB C 65 69.153 67.945 1.208 1
1 632 . 7 1 1 A 65 65 THR N N 65 110.012 111.528 -1.516 1
1 633 . 7 1 1 A 66 66 GLY H H 66 7.529 8.140 -0.611 1
1 634 . 7 1 1 A 66 66 GLY HA2 H 66 4.300 3.908 0.392 1
1 635 . 7 1 1 A 66 66 GLY HA3 H 66 3.771 3.914 -0.143 1
1 636 . 7 1 1 A 66 66 GLY CA C 66 44.829 45.325 -0.496 1
1 637 . 7 1 1 A 66 66 GLY N N 66 108.759 109.996 -1.237 1
1 638 . 7 1 1 A 67 67 GLU H H 67 8.480 8.032 0.448 1
1 639 . 7 1 1 A 67 67 GLU HA H 67 3.920 4.022 -0.102 1
1 644 . 7 1 1 A 67 67 GLU CA C 67 59.013 57.317 1.696 1
1 645 . 7 1 1 A 67 67 GLU CB C 67 30.042 28.180 1.862 1
1 647 . 7 1 1 A 67 67 GLU N N 67 123.262 119.333 3.929 1
1 648 . 7 1 1 A 68 68 LEU H H 68 7.137 8.053 -0.916 1
1 649 . 7 1 1 A 68 68 LEU HA H 68 4.545 4.327 0.218 1
1 659 . 7 1 1 A 68 68 LEU CA C 68 52.955 55.020 -2.065 1
1 660 . 7 1 1 A 68 68 LEU CB C 68 45.377 42.697 2.680 1
1 663 . 7 1 1 A 68 68 LEU N N 68 115.782 120.971 -5.189 1
1 664 . 7 1 1 A 69 69 ASN H H 69 9.102 8.800 0.302 1
1 665 . 7 1 1 A 69 69 ASN HA H 69 5.125 5.361 -0.236 1
1 668 . 7 1 1 A 69 69 ASN CA C 69 49.347 50.171 -0.824 1
1 669 . 7 1 1 A 69 69 ASN CB C 69 41.313 39.675 1.638 1
1 670 . 7 1 1 A 69 69 ASN N N 69 121.546 121.899 -0.353 1
1 671 . 7 1 1 A 70 70 PRO HA H 70 4.479 4.430 0.049 1
1 678 . 7 1 1 A 70 70 PRO CA C 70 64.544 63.434 1.110 1
1 679 . 7 1 1 A 70 70 PRO CB C 70 33.813 31.655 2.158 1
1 681 . 7 1 1 A 71 71 ARG H H 71 7.981 8.789 -0.808 1
1 682 . 7 1 1 A 71 71 ARG HA H 71 4.225 4.751 -0.526 1
1 689 . 7 1 1 A 71 71 ARG CA C 71 55.319 57.469 -2.150 1
1 690 . 7 1 1 A 71 71 ARG CB C 71 30.545 32.390 -1.845 1
1 693 . 7 1 1 A 71 71 ARG N N 71 109.539 124.744 -15.205 1
1 694 . 7 1 1 A 72 72 HIS H H 72 7.702 8.001 -0.299 1
1 695 . 7 1 1 A 72 72 HIS HA H 72 4.780 5.014 -0.234 1
1 698 . 7 1 1 A 72 72 HIS CA C 72 53.769 55.670 -1.901 1
1 699 . 7 1 1 A 72 72 HIS CB C 72 32.267 31.525 0.742 1
1 700 . 7 1 1 A 72 72 HIS N N 72 118.028 118.284 -0.256 1
1 701 . 7 1 1 A 73 73 ALA H H 73 8.586 7.899 0.687 1
1 702 . 7 1 1 A 73 73 ALA HA H 73 4.130 4.198 -0.068 1
1 706 . 7 1 1 A 73 73 ALA CA C 73 52.426 52.718 -0.292 1
1 707 . 7 1 1 A 73 73 ALA CB C 73 17.699 19.079 -1.380 1
1 708 . 7 1 1 A 73 73 ALA N N 73 127.706 126.527 1.179 1
1 709 . 7 1 1 A 74 74 GLN H H 74 9.530 8.382 1.148 1
1 710 . 7 1 1 A 74 74 GLN HA H 74 4.089 4.589 -0.500 1
1 715 . 7 1 1 A 74 74 GLN CA C 74 57.063 55.834 1.229 1
1 716 . 7 1 1 A 74 74 GLN CB C 74 29.296 31.178 -1.882 1
1 717 . 7 1 1 A 74 74 GLN N N 74 125.174 121.083 4.091 1
1 718 . 7 1 1 A 75 75 CYS H H 75 8.611 8.502 0.109 1
1 719 . 7 1 1 A 75 75 CYS HA H 75 5.175 5.008 0.167 1
1 722 . 7 1 1 A 75 75 CYS CA C 75 57.365 58.432 -1.067 1
1 723 . 7 1 1 A 75 75 CYS CB C 75 27.393 27.299 0.094 1
1 724 . 7 1 1 A 75 75 CYS N N 75 127.825 126.664 1.161 1
1 725 . 7 1 1 A 76 76 VAL H H 76 9.430 8.376 1.054 1
1 726 . 7 1 1 A 76 76 VAL HA H 76 4.672 4.906 -0.234 1
1 734 . 7 1 1 A 76 76 VAL CA C 76 59.670 60.514 -0.844 1
1 735 . 7 1 1 A 76 76 VAL CB C 76 33.946 35.971 -2.025 1
1 738 . 7 1 1 A 76 76 VAL N N 76 127.195 124.487 2.708 1
1 739 . 7 1 1 A 77 77 THR H H 77 8.203 9.123 -0.920 1
1 740 . 7 1 1 A 77 77 THR HA H 77 4.890 5.419 -0.529 1
1 745 . 7 1 1 A 77 77 THR CA C 77 61.623 60.848 0.775 1
1 746 . 7 1 1 A 77 77 THR CB C 77 69.561 70.746 -1.185 1
1 747 . 7 1 1 A 77 77 THR N N 77 117.773 119.732 -1.959 1
1 748 . 7 1 1 A 78 78 LEU H H 78 9.220 9.112 0.108 1
1 749 . 7 1 1 A 78 78 LEU HA H 78 4.597 5.125 -0.528 1
1 758 . 7 1 1 A 78 78 LEU CA C 78 52.667 53.505 -0.838 1
1 759 . 7 1 1 A 78 78 LEU CB C 78 45.023 45.184 -0.161 1
1 762 . 7 1 1 A 78 78 LEU N N 78 127.846 128.364 -0.518 1
1 763 . 7 1 1 A 79 79 TYR H H 79 8.739 8.585 0.154 1
1 764 . 7 1 1 A 79 79 TYR HA H 79 5.680 5.663 0.017 1
1 771 . 7 1 1 A 79 79 TYR CA C 79 55.963 55.871 0.092 1
1 772 . 7 1 1 A 79 79 TYR CB C 79 41.396 42.024 -0.628 1
1 777 . 7 1 1 A 79 79 TYR N N 79 117.451 121.297 -3.846 1
1 778 . 7 1 1 A 80 80 HIS H H 80 9.324 8.739 0.585 1
1 779 . 7 1 1 A 80 80 HIS HA H 80 4.545 4.832 -0.287 1
1 782 . 7 1 1 A 80 80 HIS CA C 80 57.781 55.421 2.360 1
1 783 . 7 1 1 A 80 80 HIS CB C 80 32.894 31.898 0.996 1
1 784 . 7 1 1 A 80 80 HIS N N 80 121.592 122.923 -1.331 1
1 785 . 7 1 1 A 81 81 ASN H H 81 8.619 8.168 0.451 1
1 786 . 7 1 1 A 81 81 ASN HA H 81 4.091 4.767 -0.676 1
1 789 . 7 1 1 A 81 81 ASN CA C 81 52.908 52.089 0.819 1
1 790 . 7 1 1 A 81 81 ASN CB C 81 37.384 39.621 -2.237 1
1 791 . 7 1 1 A 81 81 ASN N N 81 125.264 118.532 6.732 1
1 792 . 7 1 1 A 82 82 GLY H H 82 8.336 8.068 0.268 1
1 793 . 7 1 1 A 82 82 GLY HA2 H 82 4.096 3.607 0.489 1
1 794 . 7 1 1 A 82 82 GLY HA3 H 82 3.595 3.818 -0.223 1
1 795 . 7 1 1 A 82 82 GLY CA C 82 45.132 45.349 -0.217 1
1 796 . 7 1 1 A 82 82 GLY N N 82 102.719 107.125 -4.406 1
1 797 . 7 1 1 A 83 83 PHE H H 83 8.498 7.666 0.832 1
1 798 . 7 1 1 A 83 83 PHE HA H 83 5.049 4.638 0.411 1
1 803 . 7 1 1 A 83 83 PHE CA C 83 57.244 58.217 -0.973 1
1 804 . 7 1 1 A 83 83 PHE CB C 83 42.331 40.481 1.850 1
1 807 . 7 1 1 A 83 83 PHE N N 83 120.461 119.616 0.845 1
1 808 . 7 1 1 A 84 84 THR H H 84 9.387 8.971 0.416 1
1 809 . 7 1 1 A 84 84 THR HA H 84 4.771 5.340 -0.569 1
1 814 . 7 1 1 A 84 84 THR CA C 84 60.323 60.742 -0.419 1
1 815 . 7 1 1 A 84 84 THR CB C 84 71.263 70.924 0.339 1
1 816 . 7 1 1 A 84 84 THR N N 84 118.901 112.702 6.199 1
1 817 . 7 1 1 A 85 85 CYS H H 85 8.691 8.633 0.058 1
1 818 . 7 1 1 A 85 85 CYS HA H 85 5.010 4.950 0.060 1
1 821 . 7 1 1 A 85 85 CYS CA C 85 54.594 57.813 -3.219 1
1 822 . 7 1 1 A 85 85 CYS CB C 85 26.847 27.598 -0.751 1
1 823 . 7 1 1 A 85 85 CYS N N 85 124.244 125.814 -1.570 1
1 824 . 7 1 1 A 86 86 GLU H H 86 9.051 8.450 0.601 1
1 825 . 7 1 1 A 86 86 GLU HA H 86 5.304 4.923 0.381 1
1 830 . 7 1 1 A 86 86 GLU CA C 86 54.424 55.912 -1.488 1
1 831 . 7 1 1 A 86 86 GLU CB C 86 34.037 31.039 2.998 1
1 832 . 7 1 1 A 86 86 GLU N N 86 128.372 125.757 2.615 1
1 833 . 7 1 1 A 87 87 ALA H H 87 8.758 8.717 0.041 1
1 834 . 7 1 1 A 87 87 ALA HA H 87 5.520 5.323 0.197 1
1 838 . 7 1 1 A 87 87 ALA CA C 87 49.578 50.726 -1.148 1
1 839 . 7 1 1 A 87 87 ALA N N 87 122.903 128.162 -5.259 1
1 840 . 7 1 1 A 88 88 ASP H H 88 8.849 8.438 0.411 1
1 841 . 7 1 1 A 88 88 ASP HA H 88 5.146 5.211 -0.065 1
1 844 . 7 1 1 A 88 88 ASP CA C 88 53.299 52.950 0.349 1
1 845 . 7 1 1 A 88 88 ASP CB C 88 46.981 44.959 2.022 1
1 846 . 7 1 1 A 88 88 ASP N N 88 119.653 120.946 -1.293 1
1 847 . 7 1 1 A 89 89 THR H H 89 9.780 8.968 0.812 1
1 848 . 7 1 1 A 89 89 THR HA H 89 4.940 4.358 0.582 1
1 853 . 7 1 1 A 89 89 THR CA C 89 63.221 63.041 0.180 1
1 854 . 7 1 1 A 89 89 THR CB C 89 69.269 69.129 0.140 1
1 856 . 7 1 1 A 89 89 THR N N 89 120.857 116.793 4.064 1
1 857 . 7 1 1 A 90 90 LEU H H 90 10.670 8.269 2.401 1
1 858 . 7 1 1 A 90 90 LEU HA H 90 3.619 3.954 -0.335 1
1 868 . 7 1 1 A 90 90 LEU CA C 90 55.620 56.266 -0.646 1
1 869 . 7 1 1 A 90 90 LEU CB C 90 38.653 40.253 -1.600 1
1 873 . 7 1 1 A 90 90 LEU N N 90 121.028 119.535 1.493 1
1 874 . 7 1 1 A 91 91 GLY H H 91 8.606 8.564 0.042 1
1 875 . 7 1 1 A 91 91 GLY HA2 H 91 3.500 3.887 -0.387 1
1 876 . 7 1 1 A 91 91 GLY HA3 H 91 3.680 3.894 -0.214 1
1 877 . 7 1 1 A 91 91 GLY CA C 91 46.299 46.185 0.114 1
1 878 . 7 1 1 A 91 91 GLY N N 91 107.743 105.921 1.822 1
1 879 . 7 1 1 A 92 92 SER H H 92 8.126 8.357 -0.231 1
1 880 . 7 1 1 A 92 92 SER HA H 92 4.078 4.663 -0.585 1
1 883 . 7 1 1 A 92 92 SER CA C 92 59.779 57.693 2.086 1
1 884 . 7 1 1 A 92 92 SER CB C 92 65.161 63.968 1.193 1
1 885 . 7 1 1 A 92 92 SER N N 92 112.753 115.210 -2.457 1
1 886 . 7 1 1 A 93 93 CYS H H 93 9.001 8.730 0.271 1
1 887 . 7 1 1 A 93 93 CYS HA H 93 3.617 4.698 -1.081 1
1 890 . 7 1 1 A 93 93 CYS CA C 93 59.953 60.113 -0.160 1
1 891 . 7 1 1 A 93 93 CYS CB C 93 25.176 30.618 -5.442 1
1 892 . 7 1 1 A 93 93 CYS N N 93 119.159 120.330 -1.171 1
1 893 . 7 1 1 A 94 94 GLY H H 94 8.795 8.042 0.753 1
1 894 . 7 1 1 A 94 94 GLY HA2 H 94 4.063 3.779 0.284 1
1 895 . 7 1 1 A 94 94 GLY HA3 H 94 3.503 3.893 -0.390 1
1 896 . 7 1 1 A 94 94 GLY CA C 94 46.150 45.489 0.661 1
1 897 . 7 1 1 A 94 94 GLY N N 94 105.924 106.732 -0.808 1
1 898 . 7 1 1 A 95 95 TYR H H 95 8.144 7.471 0.673 1
1 899 . 7 1 1 A 95 95 TYR HA H 95 5.743 4.959 0.784 1
1 906 . 7 1 1 A 95 95 TYR CA C 95 54.818 56.304 -1.486 1
1 907 . 7 1 1 A 95 95 TYR CB C 95 41.503 43.154 -1.651 1
1 912 . 7 1 1 A 95 95 TYR N N 95 118.757 118.238 0.519 1
1 913 . 7 1 1 A 96 96 VAL H H 96 8.280 8.253 0.027 1
1 914 . 7 1 1 A 96 96 VAL HA H 96 4.082 4.600 -0.518 1
1 922 . 7 1 1 A 96 96 VAL CA C 96 62.593 60.711 1.882 1
1 923 . 7 1 1 A 96 96 VAL CB C 96 34.676 35.281 -0.605 1
1 926 . 7 1 1 A 96 96 VAL N N 96 117.579 121.176 -3.597 1
1 927 . 7 1 1 A 97 97 TYR H H 97 9.171 8.923 0.248 1
1 928 . 7 1 1 A 97 97 TYR HA H 97 4.987 5.371 -0.384 1
1 935 . 7 1 1 A 97 97 TYR CA C 97 57.046 55.950 1.096 1
1 936 . 7 1 1 A 97 97 TYR CB C 97 39.334 41.352 -2.018 1
1 941 . 7 1 1 A 97 97 TYR N N 97 129.228 125.997 3.231 1
1 942 . 7 1 1 A 98 98 ILE H H 98 8.739 8.938 -0.199 1
1 943 . 7 1 1 A 98 98 ILE HA H 98 6.098 5.186 0.912 1
1 953 . 7 1 1 A 98 98 ILE CA C 98 57.878 59.424 -1.546 1
1 954 . 7 1 1 A 98 98 ILE CB C 98 43.028 42.658 0.370 1
1 958 . 7 1 1 A 98 98 ILE N N 98 112.588 117.506 -4.918 1
1 959 . 7 1 1 A 99 99 ALA H H 99 8.867 8.374 0.493 1
1 960 . 7 1 1 A 99 99 ALA HA H 99 5.507 5.122 0.385 1
1 964 . 7 1 1 A 99 99 ALA CA C 99 51.757 51.563 0.194 1
1 965 . 7 1 1 A 99 99 ALA CB C 99 21.801 22.574 -0.773 1
1 966 . 7 1 1 A 99 99 ALA N N 99 124.370 123.514 0.856 1
1 967 . 7 1 1 A 100 100 VAL H H 100 9.706 8.703 1.003 1
1 968 . 7 1 1 A 100 100 VAL HA H 100 5.238 4.557 0.681 1
1 976 . 7 1 1 A 100 100 VAL CA C 100 60.077 60.368 -0.291 1
1 977 . 7 1 1 A 100 100 VAL CB C 100 34.166 33.695 0.471 1
1 980 . 7 1 1 A 100 100 VAL N N 100 122.354 123.622 -1.268 1
1 981 . 7 1 1 A 101 101 TYR H H 101 8.833 8.779 0.054 1
1 982 . 7 1 1 A 101 101 TYR HA H 101 5.529 5.080 0.449 1
1 985 . 7 1 1 A 101 101 TYR CA C 101 54.118 55.673 -1.555 1
1 986 . 7 1 1 A 101 101 TYR CB C 101 37.597 40.538 -2.941 1
1 987 . 7 1 1 A 101 101 TYR N N 101 123.413 130.088 -6.675 1
1 988 . 7 1 1 A 102 102 PRO HA H 102 4.198 4.702 -0.504 1
1 993 . 7 1 1 A 102 102 PRO CA C 102 61.976 62.923 -0.947 1
1 994 . 7 1 1 A 102 102 PRO CB C 102 31.325 32.497 -1.172 1
1 996 . 7 1 1 A 103 103 THR H H 103 8.740 8.593 0.147 1
1 997 . 7 1 1 A 103 103 THR HA H 103 3.983 4.659 -0.676 1
1 1002 . 7 1 1 A 103 103 THR CA C 103 64.447 60.520 3.927 1
1 1003 . 7 1 1 A 103 103 THR CB C 103 68.595 70.813 -2.218 1
1 1005 . 7 1 1 A 103 103 THR N N 103 122.463 112.187 10.276 1
1 1006 . 7 1 1 A 104 104 GLN H H 104 8.672 8.676 -0.004 1
1 1007 . 7 1 1 A 104 104 GLN HA H 104 4.309 4.434 -0.125 1
1 1010 . 7 1 1 A 104 104 GLN CA C 104 54.989 54.703 0.286 1
1 1011 . 7 1 1 A 104 104 GLN CB C 104 29.277 27.447 1.830 1
1 1012 . 7 1 1 A 104 104 GLN N N 104 123.452 124.013 -0.561 1
1 1 . 8 1 1 A 3 3 ASN HA H 3 4.740 4.161 0.579 1
1 4 . 8 1 1 A 3 3 ASN CA C 3 52.719 54.130 -1.411 1
1 5 . 8 1 1 A 3 3 ASN CB C 3 38.344 36.823 1.521 1
1 6 . 8 1 1 A 4 4 THR H H 4 8.142 7.876 0.266 1
1 7 . 8 1 1 A 4 4 THR HA H 4 4.059 4.158 -0.099 1
1 12 . 8 1 1 A 4 4 THR CA C 4 61.542 64.265 -2.723 1
1 13 . 8 1 1 A 4 4 THR CB C 4 69.257 69.057 0.200 1
1 15 . 8 1 1 A 4 4 THR N N 4 116.100 112.802 3.298 1
1 16 . 8 1 1 A 5 5 THR H H 5 7.898 8.613 -0.715 1
1 17 . 8 1 1 A 5 5 THR HA H 5 4.167 4.392 -0.225 1
1 22 . 8 1 1 A 5 5 THR CA C 5 60.219 60.803 -0.584 1
1 23 . 8 1 1 A 5 5 THR CB C 5 69.457 71.324 -1.867 1
1 25 . 8 1 1 A 5 5 THR N N 5 117.796 121.465 -3.669 1
1 26 . 8 1 1 A 6 6 TRP H H 6 8.248 8.527 -0.279 1
1 27 . 8 1 1 A 6 6 TRP HA H 6 4.608 4.199 0.409 1
1 36 . 8 1 1 A 6 6 TRP CA C 6 55.971 60.002 -4.031 1
1 37 . 8 1 1 A 6 6 TRP CB C 6 32.251 29.476 2.775 1
1 43 . 8 1 1 A 6 6 TRP N N 6 123.584 126.332 -2.748 1
1 45 . 8 1 1 A 7 7 GLY H H 7 8.590 8.373 0.217 1
1 46 . 8 1 1 A 7 7 GLY HA2 H 7 4.668 4.195 0.473 1
1 47 . 8 1 1 A 7 7 GLY HA3 H 7 3.904 4.197 -0.293 1
1 48 . 8 1 1 A 7 7 GLY CA C 7 44.451 44.767 -0.316 1
1 49 . 8 1 1 A 7 7 GLY N N 7 103.966 108.291 -4.325 1
1 50 . 8 1 1 A 8 8 LEU H H 8 6.805 8.556 -1.751 1
1 51 . 8 1 1 A 8 8 LEU HA H 8 4.204 4.156 0.048 1
1 60 . 8 1 1 A 8 8 LEU CA C 8 53.799 55.682 -1.883 1
1 61 . 8 1 1 A 8 8 LEU CB C 8 42.762 42.189 0.573 1
1 62 . 8 1 1 A 8 8 LEU N N 8 119.119 120.758 -1.639 1
1 63 . 8 1 1 A 9 9 GLN H H 9 9.078 8.523 0.555 1
1 64 . 8 1 1 A 9 9 GLN HA H 9 4.105 4.397 -0.292 1
1 69 . 8 1 1 A 9 9 GLN CA C 9 55.604 56.206 -0.602 1
1 70 . 8 1 1 A 9 9 GLN CB C 9 26.867 28.984 -2.117 1
1 71 . 8 1 1 A 9 9 GLN N N 9 124.351 122.407 1.944 1
1 72 . 8 1 1 A 10 10 ARG H H 10 6.912 8.418 -1.506 1
1 73 . 8 1 1 A 10 10 ARG HA H 10 4.536 4.911 -0.375 1
1 80 . 8 1 1 A 10 10 ARG CA C 10 51.817 54.778 -2.961 1
1 81 . 8 1 1 A 10 10 ARG CB C 10 34.485 33.746 0.739 1
1 83 . 8 1 1 A 10 10 ARG N N 10 125.940 122.195 3.745 1
1 84 . 8 1 1 A 11 11 ASP H H 11 8.544 9.045 -0.501 1
1 85 . 8 1 1 A 11 11 ASP HA H 11 4.633 4.455 0.178 1
1 88 . 8 1 1 A 11 11 ASP CA C 11 52.853 56.898 -4.045 1
1 89 . 8 1 1 A 11 11 ASP CB C 11 39.641 40.398 -0.757 1
1 90 . 8 1 1 A 11 11 ASP N N 11 121.026 119.768 1.258 1
1 91 . 8 1 1 A 12 12 ILE H H 12 6.828 7.615 -0.787 1
1 92 . 8 1 1 A 12 12 ILE HA H 12 3.890 4.263 -0.373 1
1 102 . 8 1 1 A 12 12 ILE CA C 12 60.042 60.704 -0.662 1
1 103 . 8 1 1 A 12 12 ILE CB C 12 40.957 38.762 2.195 1
1 107 . 8 1 1 A 12 12 ILE N N 12 120.620 117.596 3.024 1
1 108 . 8 1 1 A 13 13 THR H H 13 7.910 8.595 -0.685 1
1 109 . 8 1 1 A 13 13 THR HA H 13 4.330 4.167 0.163 1
1 114 . 8 1 1 A 13 13 THR CB C 13 70.524 67.743 2.781 1
1 115 . 8 1 1 A 13 13 THR N N 13 118.106 119.429 -1.323 1
1 116 . 8 1 1 A 14 14 PRO HA H 14 4.884 4.548 0.336 1
1 122 . 8 1 1 A 14 14 PRO CA C 14 61.777 64.589 -2.812 1
1 123 . 8 1 1 A 14 14 PRO CB C 14 33.621 31.754 1.867 1
1 125 . 8 1 1 A 15 15 ARG H H 15 8.312 8.378 -0.066 1
1 126 . 8 1 1 A 15 15 ARG HA H 15 5.484 4.593 0.891 1
1 131 . 8 1 1 A 15 15 ARG CA C 15 54.493 54.868 -0.375 1
1 132 . 8 1 1 A 15 15 ARG CB C 15 33.621 31.080 2.541 1
1 133 . 8 1 1 A 15 15 ARG N N 15 111.571 117.796 -6.225 1
1 134 . 8 1 1 A 16 16 LEU H H 16 9.729 7.195 2.534 1
1 135 . 8 1 1 A 16 16 LEU HA H 16 5.329 4.300 1.029 1
1 144 . 8 1 1 A 16 16 LEU CA C 16 53.650 55.228 -1.578 1
1 145 . 8 1 1 A 16 16 LEU CB C 16 44.521 42.940 1.581 1
1 148 . 8 1 1 A 16 16 LEU N N 16 125.998 120.272 5.726 1
1 149 . 8 1 1 A 17 17 GLY H H 17 9.504 8.509 0.995 1
1 150 . 8 1 1 A 17 17 GLY HA2 H 17 5.346 4.382 0.964 1
1 151 . 8 1 1 A 17 17 GLY HA3 H 17 4.211 4.389 -0.178 1
1 152 . 8 1 1 A 17 17 GLY CA C 17 43.759 44.673 -0.914 1
1 153 . 8 1 1 A 17 17 GLY N N 17 114.627 107.859 6.768 1
1 154 . 8 1 1 A 18 18 ALA H H 18 7.733 8.667 -0.934 1
1 155 . 8 1 1 A 18 18 ALA HA H 18 5.244 5.055 0.189 1
1 159 . 8 1 1 A 18 18 ALA CA C 18 51.532 51.364 0.168 1
1 160 . 8 1 1 A 18 18 ALA CB C 18 22.204 23.158 -0.954 1
1 161 . 8 1 1 A 18 18 ALA N N 18 119.712 122.032 -2.320 1
1 162 . 8 1 1 A 19 19 ARG H H 19 8.363 8.626 -0.263 1
1 163 . 8 1 1 A 19 19 ARG HA H 19 4.632 4.988 -0.356 1
1 166 . 8 1 1 A 19 19 ARG CA C 19 54.915 55.642 -0.727 1
1 167 . 8 1 1 A 19 19 ARG CB C 19 31.971 31.277 0.694 1
1 168 . 8 1 1 A 19 19 ARG N N 19 122.423 120.943 1.480 1
1 169 . 8 1 1 A 20 20 LEU H H 20 9.540 8.882 0.658 1
1 170 . 8 1 1 A 20 20 LEU HA H 20 4.703 5.150 -0.447 1
1 179 . 8 1 1 A 20 20 LEU CA C 20 54.103 53.591 0.512 1
1 180 . 8 1 1 A 20 20 LEU CB C 20 42.688 45.759 -3.071 1
1 183 . 8 1 1 A 20 20 LEU N N 20 130.686 125.634 5.052 1
1 184 . 8 1 1 A 21 21 VAL H H 21 8.352 9.074 -0.722 1
1 185 . 8 1 1 A 21 21 VAL HA H 21 4.346 4.506 -0.160 1
1 193 . 8 1 1 A 21 21 VAL CA C 21 61.817 60.655 1.162 1
1 194 . 8 1 1 A 21 21 VAL CB C 21 33.976 35.107 -1.131 1
1 197 . 8 1 1 A 21 21 VAL N N 21 120.930 124.289 -3.359 1
1 198 . 8 1 1 A 22 22 GLN H H 22 8.319 8.349 -0.030 1
1 199 . 8 1 1 A 22 22 GLN HA H 22 4.646 4.443 0.203 1
1 204 . 8 1 1 A 22 22 GLN CA C 22 54.818 55.842 -1.024 1
1 205 . 8 1 1 A 22 22 GLN CB C 22 29.251 29.573 -0.322 1
1 206 . 8 1 1 A 22 22 GLN N N 22 127.936 126.424 1.512 1
1 207 . 8 1 1 A 23 23 GLU H H 23 8.667 8.681 -0.014 1
1 208 . 8 1 1 A 23 23 GLU HA H 23 4.370 4.558 -0.188 1
1 211 . 8 1 1 A 23 23 GLU CA C 23 54.495 55.391 -0.896 1
1 212 . 8 1 1 A 23 23 GLU CB C 23 30.618 31.399 -0.781 1
1 213 . 8 1 1 A 23 23 GLU N N 23 129.097 126.157 2.940 1
1 214 . 8 1 1 A 24 24 GLY H H 24 8.949 8.979 -0.030 1
1 215 . 8 1 1 A 24 24 GLY HA2 H 24 3.879 3.904 -0.025 1
1 216 . 8 1 1 A 24 24 GLY HA3 H 24 3.543 3.905 -0.362 1
1 217 . 8 1 1 A 24 24 GLY CA C 24 46.645 45.013 1.632 1
1 218 . 8 1 1 A 24 24 GLY N N 24 117.894 116.809 1.085 1
1 219 . 8 1 1 A 25 25 ASN H H 25 8.747 8.794 -0.047 1
1 220 . 8 1 1 A 25 25 ASN HA H 25 4.700 4.727 -0.027 1
1 223 . 8 1 1 A 25 25 ASN CA C 25 52.331 52.694 -0.363 1
1 224 . 8 1 1 A 25 25 ASN CB C 25 37.827 37.784 0.043 1
1 225 . 8 1 1 A 25 25 ASN N N 25 124.981 121.425 3.556 1
1 226 . 8 1 1 A 26 26 GLN H H 26 7.811 7.640 0.171 1
1 227 . 8 1 1 A 26 26 GLN HA H 26 4.498 4.933 -0.435 1
1 232 . 8 1 1 A 26 26 GLN CA C 26 53.969 54.240 -0.271 1
1 233 . 8 1 1 A 26 26 GLN CB C 26 31.577 32.133 -0.556 1
1 235 . 8 1 1 A 26 26 GLN N N 26 117.634 116.979 0.655 1
1 236 . 8 1 1 A 27 27 LEU H H 27 9.306 8.988 0.318 1
1 237 . 8 1 1 A 27 27 LEU HA H 27 4.973 5.072 -0.099 1
1 246 . 8 1 1 A 27 27 LEU CA C 27 52.106 53.689 -1.583 1
1 247 . 8 1 1 A 27 27 LEU CB C 27 44.645 43.404 1.241 1
1 250 . 8 1 1 A 27 27 LEU N N 27 121.896 124.587 -2.691 1
1 251 . 8 1 1 A 28 28 HIS H H 28 8.998 8.867 0.131 1
1 252 . 8 1 1 A 28 28 HIS HA H 28 4.860 4.850 0.010 1
1 255 . 8 1 1 A 28 28 HIS CA C 28 53.461 55.414 -1.953 1
1 256 . 8 1 1 A 28 28 HIS CB C 28 30.884 30.680 0.204 1
1 257 . 8 1 1 A 28 28 HIS N N 28 119.141 124.929 -5.788 1
1 258 . 8 1 1 A 29 29 TYR H H 29 8.811 9.224 -0.413 1
1 259 . 8 1 1 A 29 29 TYR HA H 29 4.571 4.889 -0.318 1
1 266 . 8 1 1 A 29 29 TYR CA C 29 56.308 56.826 -0.518 1
1 267 . 8 1 1 A 29 29 TYR CB C 29 38.935 39.885 -0.950 1
1 272 . 8 1 1 A 29 29 TYR N N 29 124.729 130.965 -6.236 1
1 273 . 8 1 1 A 30 30 LEU H H 30 8.677 8.492 0.185 1
1 274 . 8 1 1 A 30 30 LEU HA H 30 4.275 4.364 -0.089 1
1 283 . 8 1 1 A 30 30 LEU CA C 30 52.463 53.589 -1.126 1
1 284 . 8 1 1 A 30 30 LEU CB C 30 42.668 41.498 1.170 1
1 287 . 8 1 1 A 30 30 LEU N N 30 131.620 128.426 3.194 1
1 288 . 8 1 1 A 31 31 ALA H H 31 8.503 8.783 -0.280 1
1 289 . 8 1 1 A 31 31 ALA HA H 31 3.606 3.743 -0.137 1
1 293 . 8 1 1 A 31 31 ALA CA C 31 54.068 55.055 -0.987 1
1 294 . 8 1 1 A 31 31 ALA CB C 31 17.576 18.174 -0.598 1
1 295 . 8 1 1 A 31 31 ALA N N 31 128.548 127.206 1.342 1
1 296 . 8 1 1 A 32 32 ASP H H 32 8.102 8.126 -0.024 1
1 297 . 8 1 1 A 32 32 ASP HA H 32 4.531 4.043 0.488 1
1 300 . 8 1 1 A 32 32 ASP CA C 32 53.266 56.058 -2.792 1
1 301 . 8 1 1 A 32 32 ASP CB C 32 38.572 40.302 -1.730 1
1 302 . 8 1 1 A 32 32 ASP N N 32 111.569 117.501 -5.932 1
1 303 . 8 1 1 A 33 33 ARG H H 33 7.346 7.284 0.062 1
1 304 . 8 1 1 A 33 33 ARG HA H 33 2.688 4.196 -1.508 1
1 309 . 8 1 1 A 33 33 ARG CA C 33 51.257 54.870 -3.613 1
1 310 . 8 1 1 A 33 33 ARG CB C 33 28.426 29.674 -1.248 1
1 311 . 8 1 1 A 33 33 ARG N N 33 122.483 117.603 4.880 1
1 312 . 8 1 1 A 34 34 ALA H H 34 6.661 7.486 -0.825 1
1 313 . 8 1 1 A 34 34 ALA HA H 34 5.275 4.821 0.454 1
1 317 . 8 1 1 A 34 34 ALA CA C 34 50.673 51.532 -0.859 1
1 318 . 8 1 1 A 34 34 ALA CB C 34 23.479 22.823 0.656 1
1 319 . 8 1 1 A 34 34 ALA N N 34 120.854 123.473 -2.619 1
1 320 . 8 1 1 A 35 35 SER H H 35 9.494 8.887 0.607 1
1 321 . 8 1 1 A 35 35 SER HA H 35 4.962 5.230 -0.268 1
1 324 . 8 1 1 A 35 35 SER CA C 35 57.438 57.849 -0.411 1
1 325 . 8 1 1 A 35 35 SER CB C 35 66.260 66.834 -0.574 1
1 326 . 8 1 1 A 35 35 SER N N 35 114.094 115.091 -0.997 1
1 327 . 8 1 1 A 36 36 ILE H H 36 8.989 8.911 0.078 1
1 328 . 8 1 1 A 36 36 ILE HA H 36 5.199 4.787 0.412 1
1 338 . 8 1 1 A 36 36 ILE CA C 36 59.982 60.141 -0.159 1
1 339 . 8 1 1 A 36 36 ILE CB C 36 39.235 40.319 -1.084 1
1 343 . 8 1 1 A 36 36 ILE N N 36 125.993 127.831 -1.838 1
1 344 . 8 1 1 A 37 37 THR H H 37 9.107 8.763 0.344 1
1 345 . 8 1 1 A 37 37 THR HA H 37 4.478 4.934 -0.456 1
1 350 . 8 1 1 A 37 37 THR CA C 37 62.063 59.799 2.264 1
1 351 . 8 1 1 A 37 37 THR CB C 37 69.419 71.703 -2.284 1
1 352 . 8 1 1 A 37 37 THR N N 37 126.763 117.406 9.357 1
1 353 . 8 1 1 A 38 38 GLY H H 38 8.546 8.624 -0.078 1
1 354 . 8 1 1 A 38 38 GLY HA2 H 38 3.556 3.710 -0.154 1
1 355 . 8 1 1 A 38 38 GLY HA3 H 38 3.968 3.877 0.091 1
1 356 . 8 1 1 A 38 38 GLY CA C 38 43.487 45.357 -1.870 1
1 357 . 8 1 1 A 38 38 GLY N N 38 113.541 110.373 3.168 1
1 358 . 8 1 1 A 39 39 LYS H H 39 8.131 7.819 0.312 1
1 359 . 8 1 1 A 39 39 LYS HA H 39 4.511 4.816 -0.305 1
1 366 . 8 1 1 A 39 39 LYS CA C 39 54.562 54.652 -0.090 1
1 367 . 8 1 1 A 39 39 LYS CB C 39 34.646 32.129 2.517 1
1 370 . 8 1 1 A 39 39 LYS N N 39 119.477 116.996 2.481 1
1 371 . 8 1 1 A 40 40 PHE H H 40 8.739 8.523 0.216 1
1 372 . 8 1 1 A 40 40 PHE HA H 40 4.482 4.514 -0.032 1
1 380 . 8 1 1 A 40 40 PHE CA C 40 58.592 59.346 -0.754 1
1 381 . 8 1 1 A 40 40 PHE CB C 40 39.593 39.730 -0.137 1
1 387 . 8 1 1 A 40 40 PHE N N 40 125.875 125.450 0.425 1
1 388 . 8 1 1 A 41 41 SER H H 41 9.825 8.976 0.849 1
1 389 . 8 1 1 A 41 41 SER HA H 41 4.484 4.782 -0.298 1
1 392 . 8 1 1 A 41 41 SER CA C 41 57.383 57.225 0.158 1
1 393 . 8 1 1 A 41 41 SER CB C 41 64.570 65.262 -0.692 1
1 394 . 8 1 1 A 41 41 SER N N 41 120.297 117.907 2.390 1
1 395 . 8 1 1 A 42 42 ASP H H 42 8.944 8.970 -0.026 1
1 396 . 8 1 1 A 42 42 ASP HA H 42 4.493 4.400 0.093 1
1 399 . 8 1 1 A 42 42 ASP CA C 42 57.068 56.679 0.389 1
1 400 . 8 1 1 A 42 42 ASP CB C 42 39.471 40.438 -0.967 1
1 401 . 8 1 1 A 42 42 ASP N N 42 121.339 121.219 0.120 1
1 402 . 8 1 1 A 43 43 ALA H H 43 8.071 7.766 0.305 1
1 403 . 8 1 1 A 43 43 ALA HA H 43 4.254 4.172 0.082 1
1 407 . 8 1 1 A 43 43 ALA CA C 43 53.245 53.127 0.118 1
1 408 . 8 1 1 A 43 43 ALA CB C 43 18.716 19.111 -0.395 1
1 409 . 8 1 1 A 43 43 ALA N N 43 119.592 121.345 -1.753 1
1 410 . 8 1 1 A 44 44 GLU H H 44 7.860 7.973 -0.113 1
1 411 . 8 1 1 A 44 44 GLU HA H 44 4.164 4.549 -0.385 1
1 414 . 8 1 1 A 44 44 GLU CA C 44 57.748 58.092 -0.344 1
1 415 . 8 1 1 A 44 44 GLU CB C 44 30.832 30.796 0.036 1
1 416 . 8 1 1 A 44 44 GLU N N 44 117.391 118.047 -0.656 1
1 417 . 8 1 1 A 45 45 CYS H H 45 8.212 8.782 -0.570 1
1 418 . 8 1 1 A 45 45 CYS HA H 45 4.010 4.140 -0.130 1
1 421 . 8 1 1 A 45 45 CYS CA C 45 65.262 63.568 1.694 1
1 422 . 8 1 1 A 45 45 CYS CB C 45 24.356 25.629 -1.273 1
1 423 . 8 1 1 A 45 45 CYS N N 45 117.475 118.989 -1.514 1
1 424 . 8 1 1 A 46 46 PRO HA H 46 4.406 4.232 0.174 1
1 427 . 8 1 1 A 46 46 PRO CA C 46 64.575 66.266 -1.691 1
1 428 . 8 1 1 A 46 46 PRO CB C 46 30.339 30.847 -0.508 1
1 429 . 8 1 1 A 47 47 LYS H H 47 6.825 7.966 -1.141 1
1 430 . 8 1 1 A 47 47 LYS HA H 47 4.032 4.055 -0.023 1
1 437 . 8 1 1 A 47 47 LYS CA C 47 57.897 59.582 -1.685 1
1 438 . 8 1 1 A 47 47 LYS CB C 47 32.303 32.200 0.103 1
1 440 . 8 1 1 A 47 47 LYS N N 47 116.096 119.485 -3.389 1
1 441 . 8 1 1 A 48 48 LEU H H 48 7.980 7.843 0.137 1
1 442 . 8 1 1 A 48 48 LEU HA H 48 3.252 3.806 -0.554 1
1 451 . 8 1 1 A 48 48 LEU CA C 48 57.086 57.855 -0.769 1
1 452 . 8 1 1 A 48 48 LEU CB C 48 40.525 41.635 -1.110 1
1 455 . 8 1 1 A 48 48 LEU N N 48 122.611 120.681 1.930 1
1 456 . 8 1 1 A 49 49 ASP H H 49 7.219 7.678 -0.459 1
1 457 . 8 1 1 A 49 49 ASP HA H 49 4.221 4.389 -0.168 1
1 460 . 8 1 1 A 49 49 ASP CA C 49 56.273 56.283 -0.010 1
1 461 . 8 1 1 A 49 49 ASP CB C 49 40.150 40.746 -0.596 1
1 462 . 8 1 1 A 49 49 ASP N N 49 115.153 118.441 -3.288 1
1 463 . 8 1 1 A 50 50 VAL H H 50 7.057 7.614 -0.557 1
1 464 . 8 1 1 A 50 50 VAL HA H 50 3.921 4.197 -0.276 1
1 472 . 8 1 1 A 50 50 VAL CA C 50 63.679 63.797 -0.118 1
1 473 . 8 1 1 A 50 50 VAL CB C 50 32.269 32.675 -0.406 1
1 476 . 8 1 1 A 50 50 VAL N N 50 115.474 117.186 -1.712 1
1 477 . 8 1 1 A 51 51 VAL H H 51 8.071 7.859 0.212 1
1 478 . 8 1 1 A 51 51 VAL HA H 51 3.805 3.765 0.040 1
1 486 . 8 1 1 A 51 51 VAL CA C 51 63.650 65.315 -1.665 1
1 487 . 8 1 1 A 51 51 VAL CB C 51 31.130 31.452 -0.322 1
1 490 . 8 1 1 A 51 51 VAL N N 51 116.526 120.433 -3.907 1
1 491 . 8 1 1 A 52 52 PHE H H 52 8.203 8.623 -0.420 1
1 492 . 8 1 1 A 52 52 PHE HA H 52 4.382 4.261 0.121 1
1 497 . 8 1 1 A 52 52 PHE CA C 52 63.038 62.411 0.627 1
1 498 . 8 1 1 A 52 52 PHE CB C 52 36.263 37.413 -1.150 1
1 501 . 8 1 1 A 52 52 PHE N N 52 121.336 120.636 0.700 1
1 502 . 8 1 1 A 53 53 PRO HA H 53 3.930 4.219 -0.289 1
1 507 . 8 1 1 A 53 53 PRO CA C 53 65.098 65.817 -0.719 1
1 508 . 8 1 1 A 53 53 PRO CB C 53 30.053 31.429 -1.376 1
1 509 . 8 1 1 A 54 54 HIS H H 54 6.741 7.655 -0.914 1
1 510 . 8 1 1 A 54 54 HIS HA H 54 4.041 4.048 -0.007 1
1 513 . 8 1 1 A 54 54 HIS CA C 54 59.100 59.500 -0.400 1
1 514 . 8 1 1 A 54 54 HIS CB C 54 28.478 30.315 -1.837 1
1 515 . 8 1 1 A 54 54 HIS N N 54 116.851 117.545 -0.694 1
1 516 . 8 1 1 A 55 55 PHE H H 55 7.902 7.674 0.228 1
1 517 . 8 1 1 A 55 55 PHE HA H 55 4.230 4.107 0.123 1
1 522 . 8 1 1 A 55 55 PHE CA C 55 59.471 61.511 -2.040 1
1 523 . 8 1 1 A 55 55 PHE CB C 55 37.210 38.525 -1.315 1
1 526 . 8 1 1 A 55 55 PHE N N 55 118.222 116.999 1.223 1
1 527 . 8 1 1 A 56 56 ILE H H 56 7.812 7.565 0.247 1
1 528 . 8 1 1 A 56 56 ILE HA H 56 3.176 3.448 -0.272 1
1 538 . 8 1 1 A 56 56 ILE CA C 56 64.446 64.862 -0.416 1
1 539 . 8 1 1 A 56 56 ILE CB C 56 35.405 37.615 -2.210 1
1 542 . 8 1 1 A 56 56 ILE N N 56 117.686 120.051 -2.365 1
1 543 . 8 1 1 A 57 57 SER H H 57 7.660 8.181 -0.521 1
1 544 . 8 1 1 A 57 57 SER HA H 57 4.230 3.933 0.297 1
1 547 . 8 1 1 A 57 57 SER CA C 57 60.942 61.435 -0.493 1
1 548 . 8 1 1 A 57 57 SER CB C 57 62.062 62.625 -0.563 1
1 549 . 8 1 1 A 57 57 SER N N 57 113.709 115.636 -1.927 1
1 550 . 8 1 1 A 58 58 GLN H H 58 7.830 7.653 0.177 1
1 551 . 8 1 1 A 58 58 GLN HA H 58 3.934 4.007 -0.073 1
1 554 . 8 1 1 A 58 58 GLN CA C 58 58.232 58.662 -0.430 1
1 555 . 8 1 1 A 58 58 GLN CB C 58 28.502 28.160 0.342 1
1 556 . 8 1 1 A 58 58 GLN N N 58 121.550 120.160 1.390 1
1 557 . 8 1 1 A 59 59 ILE H H 59 8.482 8.312 0.170 1
1 558 . 8 1 1 A 59 59 ILE HA H 59 3.434 3.582 -0.148 1
1 568 . 8 1 1 A 59 59 ILE CA C 59 65.096 65.508 -0.412 1
1 569 . 8 1 1 A 59 59 ILE CB C 59 36.901 37.710 -0.809 1
1 572 . 8 1 1 A 59 59 ILE N N 59 121.796 119.914 1.882 1
1 573 . 8 1 1 A 60 60 GLU H H 60 8.450 8.445 0.005 1
1 574 . 8 1 1 A 60 60 GLU HA H 60 3.705 3.911 -0.206 1
1 579 . 8 1 1 A 60 60 GLU CA C 60 59.896 59.667 0.229 1
1 580 . 8 1 1 A 60 60 GLU CB C 60 29.133 29.189 -0.056 1
1 581 . 8 1 1 A 60 60 GLU N N 60 119.765 119.738 0.027 1
1 582 . 8 1 1 A 61 61 SER H H 61 7.815 7.862 -0.047 1
1 583 . 8 1 1 A 61 61 SER HA H 61 4.226 4.229 -0.003 1
1 586 . 8 1 1 A 61 61 SER CA C 61 61.382 61.300 0.082 1
1 587 . 8 1 1 A 61 61 SER N N 61 114.979 114.958 0.021 1
1 588 . 8 1 1 A 62 62 MET H H 62 7.878 7.993 -0.115 1
1 589 . 8 1 1 A 62 62 MET HA H 62 4.390 4.297 0.093 1
1 595 . 8 1 1 A 62 62 MET CA C 62 58.334 58.072 0.262 1
1 596 . 8 1 1 A 62 62 MET CB C 62 33.326 32.506 0.820 1
1 597 . 8 1 1 A 62 62 MET N N 62 120.947 120.591 0.356 1
1 598 . 8 1 1 A 63 63 LEU H H 63 8.179 8.061 0.118 1
1 599 . 8 1 1 A 63 63 LEU HA H 63 4.333 3.982 0.351 1
1 609 . 8 1 1 A 63 63 LEU CA C 63 56.920 57.797 -0.877 1
1 610 . 8 1 1 A 63 63 LEU CB C 63 40.871 41.658 -0.787 1
1 613 . 8 1 1 A 63 63 LEU N N 63 121.156 119.757 1.399 1
1 614 . 8 1 1 A 64 64 THR H H 64 7.913 7.966 -0.053 1
1 615 . 8 1 1 A 64 64 THR HA H 64 3.980 4.008 -0.028 1
1 620 . 8 1 1 A 64 64 THR CA C 64 65.633 65.685 -0.052 1
1 621 . 8 1 1 A 64 64 THR CB C 64 68.205 67.998 0.207 1
1 622 . 8 1 1 A 64 64 THR N N 64 116.077 110.517 5.560 1
1 623 . 8 1 1 A 65 65 THR H H 65 8.138 8.365 -0.227 1
1 624 . 8 1 1 A 65 65 THR HA H 65 4.224 4.072 0.152 1
1 629 . 8 1 1 A 65 65 THR CA C 65 62.390 65.380 -2.990 1
1 630 . 8 1 1 A 65 65 THR CB C 65 69.153 67.938 1.215 1
1 632 . 8 1 1 A 65 65 THR N N 65 110.012 113.557 -3.545 1
1 633 . 8 1 1 A 66 66 GLY H H 66 7.529 8.464 -0.935 1
1 634 . 8 1 1 A 66 66 GLY HA2 H 66 4.300 3.914 0.386 1
1 635 . 8 1 1 A 66 66 GLY HA3 H 66 3.771 3.915 -0.144 1
1 636 . 8 1 1 A 66 66 GLY CA C 66 44.829 45.651 -0.822 1
1 637 . 8 1 1 A 66 66 GLY N N 66 108.759 109.919 -1.160 1
1 638 . 8 1 1 A 67 67 GLU H H 67 8.480 8.271 0.209 1
1 639 . 8 1 1 A 67 67 GLU HA H 67 3.920 4.226 -0.306 1
1 644 . 8 1 1 A 67 67 GLU CA C 67 59.013 57.183 1.830 1
1 645 . 8 1 1 A 67 67 GLU CB C 67 30.042 28.126 1.916 1
1 647 . 8 1 1 A 67 67 GLU N N 67 123.262 119.563 3.699 1
1 648 . 8 1 1 A 68 68 LEU H H 68 7.137 7.966 -0.829 1
1 649 . 8 1 1 A 68 68 LEU HA H 68 4.545 4.608 -0.063 1
1 659 . 8 1 1 A 68 68 LEU CA C 68 52.955 55.191 -2.236 1
1 660 . 8 1 1 A 68 68 LEU CB C 68 45.377 42.929 2.448 1
1 663 . 8 1 1 A 68 68 LEU N N 68 115.782 126.140 -10.358 1
1 664 . 8 1 1 A 69 69 ASN H H 69 9.102 8.713 0.389 1
1 665 . 8 1 1 A 69 69 ASN HA H 69 5.125 5.095 0.030 1
1 668 . 8 1 1 A 69 69 ASN CA C 69 49.347 49.706 -0.359 1
1 669 . 8 1 1 A 69 69 ASN CB C 69 41.313 42.455 -1.142 1
1 670 . 8 1 1 A 69 69 ASN N N 69 121.546 122.804 -1.258 1
1 671 . 8 1 1 A 70 70 PRO HA H 70 4.479 4.811 -0.332 1
1 678 . 8 1 1 A 70 70 PRO CA C 70 64.544 62.369 2.175 1
1 679 . 8 1 1 A 70 70 PRO CB C 70 33.813 31.171 2.642 1
1 681 . 8 1 1 A 71 71 ARG H H 71 7.981 8.806 -0.825 1
1 682 . 8 1 1 A 71 71 ARG HA H 71 4.225 4.662 -0.437 1
1 689 . 8 1 1 A 71 71 ARG CA C 71 55.319 56.221 -0.902 1
1 690 . 8 1 1 A 71 71 ARG CB C 71 30.545 32.754 -2.209 1
1 693 . 8 1 1 A 71 71 ARG N N 71 109.539 118.994 -9.455 1
1 694 . 8 1 1 A 72 72 HIS H H 72 7.702 7.720 -0.018 1
1 695 . 8 1 1 A 72 72 HIS HA H 72 4.780 4.790 -0.010 1
1 698 . 8 1 1 A 72 72 HIS CA C 72 53.769 56.304 -2.535 1
1 699 . 8 1 1 A 72 72 HIS CB C 72 32.267 32.231 0.036 1
1 700 . 8 1 1 A 72 72 HIS N N 72 118.028 118.291 -0.263 1
1 701 . 8 1 1 A 73 73 ALA H H 73 8.586 7.510 1.076 1
1 702 . 8 1 1 A 73 73 ALA HA H 73 4.130 4.141 -0.011 1
1 706 . 8 1 1 A 73 73 ALA CA C 73 52.426 52.624 -0.198 1
1 707 . 8 1 1 A 73 73 ALA CB C 73 17.699 19.022 -1.323 1
1 708 . 8 1 1 A 73 73 ALA N N 73 127.706 125.045 2.661 1
1 709 . 8 1 1 A 74 74 GLN H H 74 9.530 8.822 0.708 1
1 710 . 8 1 1 A 74 74 GLN HA H 74 4.089 4.969 -0.880 1
1 715 . 8 1 1 A 74 74 GLN CA C 74 57.063 54.879 2.184 1
1 716 . 8 1 1 A 74 74 GLN CB C 74 29.296 31.074 -1.778 1
1 717 . 8 1 1 A 74 74 GLN N N 74 125.174 117.428 7.746 1
1 718 . 8 1 1 A 75 75 CYS H H 75 8.611 9.016 -0.405 1
1 719 . 8 1 1 A 75 75 CYS HA H 75 5.175 5.032 0.143 1
1 722 . 8 1 1 A 75 75 CYS CA C 75 57.365 58.719 -1.354 1
1 723 . 8 1 1 A 75 75 CYS CB C 75 27.393 28.678 -1.285 1
1 724 . 8 1 1 A 75 75 CYS N N 75 127.825 126.044 1.781 1
1 725 . 8 1 1 A 76 76 VAL H H 76 9.430 9.027 0.403 1
1 726 . 8 1 1 A 76 76 VAL HA H 76 4.672 5.136 -0.464 1
1 734 . 8 1 1 A 76 76 VAL CA C 76 59.670 59.349 0.321 1
1 735 . 8 1 1 A 76 76 VAL CB C 76 33.946 35.750 -1.804 1
1 738 . 8 1 1 A 76 76 VAL N N 76 127.195 120.437 6.758 1
1 739 . 8 1 1 A 77 77 THR H H 77 8.203 8.955 -0.752 1
1 740 . 8 1 1 A 77 77 THR HA H 77 4.890 5.106 -0.216 1
1 745 . 8 1 1 A 77 77 THR CA C 77 61.623 60.583 1.040 1
1 746 . 8 1 1 A 77 77 THR CB C 77 69.561 70.763 -1.202 1
1 747 . 8 1 1 A 77 77 THR N N 77 117.773 116.174 1.599 1
1 748 . 8 1 1 A 78 78 LEU H H 78 9.220 9.085 0.135 1
1 749 . 8 1 1 A 78 78 LEU HA H 78 4.597 4.942 -0.345 1
1 758 . 8 1 1 A 78 78 LEU CA C 78 52.667 54.290 -1.623 1
1 759 . 8 1 1 A 78 78 LEU CB C 78 45.023 43.466 1.557 1
1 762 . 8 1 1 A 78 78 LEU N N 78 127.846 127.725 0.121 1
1 763 . 8 1 1 A 79 79 TYR H H 79 8.739 9.189 -0.450 1
1 764 . 8 1 1 A 79 79 TYR HA H 79 5.680 5.566 0.114 1
1 771 . 8 1 1 A 79 79 TYR CA C 79 55.963 56.518 -0.555 1
1 772 . 8 1 1 A 79 79 TYR CB C 79 41.396 41.466 -0.070 1
1 777 . 8 1 1 A 79 79 TYR N N 79 117.451 122.195 -4.744 1
1 778 . 8 1 1 A 80 80 HIS H H 80 9.324 9.114 0.210 1
1 779 . 8 1 1 A 80 80 HIS HA H 80 4.545 4.793 -0.248 1
1 782 . 8 1 1 A 80 80 HIS CA C 80 57.781 56.115 1.666 1
1 783 . 8 1 1 A 80 80 HIS CB C 80 32.894 33.593 -0.699 1
1 784 . 8 1 1 A 80 80 HIS N N 80 121.592 122.353 -0.761 1
1 785 . 8 1 1 A 81 81 ASN H H 81 8.619 8.794 -0.175 1
1 786 . 8 1 1 A 81 81 ASN HA H 81 4.091 4.124 -0.033 1
1 789 . 8 1 1 A 81 81 ASN CA C 81 52.908 54.215 -1.307 1
1 790 . 8 1 1 A 81 81 ASN CB C 81 37.384 37.009 0.375 1
1 791 . 8 1 1 A 81 81 ASN N N 81 125.264 125.109 0.155 1
1 792 . 8 1 1 A 82 82 GLY H H 82 8.336 8.406 -0.070 1
1 793 . 8 1 1 A 82 82 GLY HA2 H 82 4.096 3.779 0.317 1
1 794 . 8 1 1 A 82 82 GLY HA3 H 82 3.595 3.879 -0.284 1
1 795 . 8 1 1 A 82 82 GLY CA C 82 45.132 45.320 -0.188 1
1 796 . 8 1 1 A 82 82 GLY N N 82 102.719 105.074 -2.355 1
1 797 . 8 1 1 A 83 83 PHE H H 83 8.498 7.711 0.787 1
1 798 . 8 1 1 A 83 83 PHE HA H 83 5.049 4.697 0.352 1
1 803 . 8 1 1 A 83 83 PHE CA C 83 57.244 58.465 -1.221 1
1 804 . 8 1 1 A 83 83 PHE CB C 83 42.331 40.283 2.048 1
1 807 . 8 1 1 A 83 83 PHE N N 83 120.461 119.474 0.987 1
1 808 . 8 1 1 A 84 84 THR H H 84 9.387 8.846 0.541 1
1 809 . 8 1 1 A 84 84 THR HA H 84 4.771 5.077 -0.306 1
1 814 . 8 1 1 A 84 84 THR CA C 84 60.323 61.201 -0.878 1
1 815 . 8 1 1 A 84 84 THR CB C 84 71.263 71.448 -0.185 1
1 816 . 8 1 1 A 84 84 THR N N 84 118.901 115.035 3.866 1
1 817 . 8 1 1 A 85 85 CYS H H 85 8.691 8.861 -0.170 1
1 818 . 8 1 1 A 85 85 CYS HA H 85 5.010 5.177 -0.167 1
1 821 . 8 1 1 A 85 85 CYS CA C 85 54.594 56.834 -2.240 1
1 822 . 8 1 1 A 85 85 CYS CB C 85 26.847 28.949 -2.102 1
1 823 . 8 1 1 A 85 85 CYS N N 85 124.244 125.471 -1.227 1
1 824 . 8 1 1 A 86 86 GLU H H 86 9.051 8.533 0.518 1
1 825 . 8 1 1 A 86 86 GLU HA H 86 5.304 5.025 0.279 1
1 830 . 8 1 1 A 86 86 GLU CA C 86 54.424 55.556 -1.132 1
1 831 . 8 1 1 A 86 86 GLU CB C 86 34.037 32.005 2.032 1
1 832 . 8 1 1 A 86 86 GLU N N 86 128.372 124.249 4.123 1
1 833 . 8 1 1 A 87 87 ALA H H 87 8.758 8.317 0.441 1
1 834 . 8 1 1 A 87 87 ALA HA H 87 5.520 5.198 0.322 1
1 838 . 8 1 1 A 87 87 ALA CA C 87 49.578 50.833 -1.255 1
1 839 . 8 1 1 A 87 87 ALA N N 87 122.903 127.492 -4.589 1
1 840 . 8 1 1 A 88 88 ASP H H 88 8.849 8.094 0.755 1
1 841 . 8 1 1 A 88 88 ASP HA H 88 5.146 5.158 -0.012 1
1 844 . 8 1 1 A 88 88 ASP CA C 88 53.299 54.084 -0.785 1
1 845 . 8 1 1 A 88 88 ASP CB C 88 46.981 44.797 2.184 1
1 846 . 8 1 1 A 88 88 ASP N N 88 119.653 119.605 0.048 1
1 847 . 8 1 1 A 89 89 THR H H 89 9.780 9.049 0.731 1
1 848 . 8 1 1 A 89 89 THR HA H 89 4.940 4.147 0.793 1
1 853 . 8 1 1 A 89 89 THR CA C 89 63.221 65.067 -1.846 1
1 854 . 8 1 1 A 89 89 THR CB C 89 69.269 69.246 0.023 1
1 856 . 8 1 1 A 89 89 THR N N 89 120.857 120.512 0.345 1
1 857 . 8 1 1 A 90 90 LEU H H 90 10.670 8.365 2.305 1
1 858 . 8 1 1 A 90 90 LEU HA H 90 3.619 3.914 -0.295 1
1 868 . 8 1 1 A 90 90 LEU CA C 90 55.620 56.192 -0.572 1
1 869 . 8 1 1 A 90 90 LEU CB C 90 38.653 40.148 -1.495 1
1 873 . 8 1 1 A 90 90 LEU N N 90 121.028 119.544 1.484 1
1 874 . 8 1 1 A 91 91 GLY H H 91 8.606 8.534 0.072 1
1 875 . 8 1 1 A 91 91 GLY HA2 H 91 3.500 3.849 -0.349 1
1 876 . 8 1 1 A 91 91 GLY HA3 H 91 3.680 3.856 -0.176 1
1 877 . 8 1 1 A 91 91 GLY CA C 91 46.299 45.802 0.497 1
1 878 . 8 1 1 A 91 91 GLY N N 91 107.743 105.718 2.025 1
1 879 . 8 1 1 A 92 92 SER H H 92 8.126 8.245 -0.119 1
1 880 . 8 1 1 A 92 92 SER HA H 92 4.078 4.582 -0.504 1
1 883 . 8 1 1 A 92 92 SER CA C 92 59.779 58.092 1.687 1
1 884 . 8 1 1 A 92 92 SER CB C 92 65.161 64.124 1.037 1
1 885 . 8 1 1 A 92 92 SER N N 92 112.753 115.913 -3.160 1
1 886 . 8 1 1 A 93 93 CYS H H 93 9.001 8.629 0.372 1
1 887 . 8 1 1 A 93 93 CYS HA H 93 3.617 4.996 -1.379 1
1 890 . 8 1 1 A 93 93 CYS CA C 93 59.953 58.721 1.232 1
1 891 . 8 1 1 A 93 93 CYS CB C 93 25.176 30.119 -4.943 1
1 892 . 8 1 1 A 93 93 CYS N N 93 119.159 116.412 2.747 1
1 893 . 8 1 1 A 94 94 GLY H H 94 8.795 8.742 0.053 1
1 894 . 8 1 1 A 94 94 GLY HA2 H 94 4.063 3.633 0.430 1
1 895 . 8 1 1 A 94 94 GLY HA3 H 94 3.503 3.754 -0.251 1
1 896 . 8 1 1 A 94 94 GLY CA C 94 46.150 45.487 0.663 1
1 897 . 8 1 1 A 94 94 GLY N N 94 105.924 113.383 -7.459 1
1 898 . 8 1 1 A 95 95 TYR H H 95 8.144 7.983 0.161 1
1 899 . 8 1 1 A 95 95 TYR HA H 95 5.743 4.788 0.955 1
1 906 . 8 1 1 A 95 95 TYR CA C 95 54.818 56.825 -2.007 1
1 907 . 8 1 1 A 95 95 TYR CB C 95 41.503 41.090 0.413 1
1 912 . 8 1 1 A 95 95 TYR N N 95 118.757 119.117 -0.360 1
1 913 . 8 1 1 A 96 96 VAL H H 96 8.280 8.083 0.197 1
1 914 . 8 1 1 A 96 96 VAL HA H 96 4.082 4.835 -0.753 1
1 922 . 8 1 1 A 96 96 VAL CA C 96 62.593 60.770 1.823 1
1 923 . 8 1 1 A 96 96 VAL CB C 96 34.676 35.357 -0.681 1
1 926 . 8 1 1 A 96 96 VAL N N 96 117.579 121.645 -4.066 1
1 927 . 8 1 1 A 97 97 TYR H H 97 9.171 9.188 -0.017 1
1 928 . 8 1 1 A 97 97 TYR HA H 97 4.987 5.413 -0.426 1
1 935 . 8 1 1 A 97 97 TYR CA C 97 57.046 55.996 1.050 1
1 936 . 8 1 1 A 97 97 TYR CB C 97 39.334 41.747 -2.413 1
1 941 . 8 1 1 A 97 97 TYR N N 97 129.228 126.011 3.217 1
1 942 . 8 1 1 A 98 98 ILE H H 98 8.739 8.843 -0.104 1
1 943 . 8 1 1 A 98 98 ILE HA H 98 6.098 5.092 1.006 1
1 953 . 8 1 1 A 98 98 ILE CA C 98 57.878 59.302 -1.424 1
1 954 . 8 1 1 A 98 98 ILE CB C 98 43.028 42.639 0.389 1
1 958 . 8 1 1 A 98 98 ILE N N 98 112.588 117.202 -4.614 1
1 959 . 8 1 1 A 99 99 ALA H H 99 8.867 8.345 0.522 1
1 960 . 8 1 1 A 99 99 ALA HA H 99 5.507 5.080 0.427 1
1 964 . 8 1 1 A 99 99 ALA CA C 99 51.757 51.764 -0.007 1
1 965 . 8 1 1 A 99 99 ALA CB C 99 21.801 20.967 0.834 1
1 966 . 8 1 1 A 99 99 ALA N N 99 124.370 123.534 0.836 1
1 967 . 8 1 1 A 100 100 VAL H H 100 9.706 8.779 0.927 1
1 968 . 8 1 1 A 100 100 VAL HA H 100 5.238 4.640 0.598 1
1 976 . 8 1 1 A 100 100 VAL CA C 100 60.077 60.876 -0.799 1
1 977 . 8 1 1 A 100 100 VAL CB C 100 34.166 33.446 0.720 1
1 980 . 8 1 1 A 100 100 VAL N N 100 122.354 123.957 -1.603 1
1 981 . 8 1 1 A 101 101 TYR H H 101 8.833 8.774 0.059 1
1 982 . 8 1 1 A 101 101 TYR HA H 101 5.529 5.116 0.413 1
1 985 . 8 1 1 A 101 101 TYR CA C 101 54.118 56.495 -2.377 1
1 986 . 8 1 1 A 101 101 TYR CB C 101 37.597 42.846 -5.249 1
1 987 . 8 1 1 A 101 101 TYR N N 101 123.413 129.242 -5.829 1
1 988 . 8 1 1 A 102 102 PRO HA H 102 4.198 4.802 -0.604 1
1 993 . 8 1 1 A 102 102 PRO CA C 102 61.976 62.848 -0.872 1
1 994 . 8 1 1 A 102 102 PRO CB C 102 31.325 32.507 -1.182 1
1 996 . 8 1 1 A 103 103 THR H H 103 8.740 8.375 0.365 1
1 997 . 8 1 1 A 103 103 THR HA H 103 3.983 4.661 -0.678 1
1 1002 . 8 1 1 A 103 103 THR CA C 103 64.447 61.398 3.049 1
1 1003 . 8 1 1 A 103 103 THR CB C 103 68.595 69.806 -1.211 1
1 1005 . 8 1 1 A 103 103 THR N N 103 122.463 116.881 5.582 1
1 1006 . 8 1 1 A 104 104 GLN H H 104 8.672 8.652 0.020 1
1 1007 . 8 1 1 A 104 104 GLN HA H 104 4.309 4.460 -0.151 1
1 1010 . 8 1 1 A 104 104 GLN CA C 104 54.989 56.258 -1.269 1
1 1011 . 8 1 1 A 104 104 GLN CB C 104 29.277 29.032 0.245 1
1 1012 . 8 1 1 A 104 104 GLN N N 104 123.452 125.745 -2.293 1
1 1 . 9 1 1 A 3 3 ASN HA H 3 4.740 4.561 0.179 1
1 4 . 9 1 1 A 3 3 ASN CA C 3 52.719 55.040 -2.321 1
1 5 . 9 1 1 A 3 3 ASN CB C 3 38.344 38.194 0.150 1
1 6 . 9 1 1 A 4 4 THR H H 4 8.142 8.477 -0.335 1
1 7 . 9 1 1 A 4 4 THR HA H 4 4.059 4.093 -0.034 1
1 12 . 9 1 1 A 4 4 THR CA C 4 61.542 63.066 -1.524 1
1 13 . 9 1 1 A 4 4 THR CB C 4 69.257 68.404 0.853 1
1 15 . 9 1 1 A 4 4 THR N N 4 116.100 115.535 0.565 1
1 16 . 9 1 1 A 5 5 THR H H 5 7.898 8.252 -0.354 1
1 17 . 9 1 1 A 5 5 THR HA H 5 4.167 4.595 -0.428 1
1 22 . 9 1 1 A 5 5 THR CA C 5 60.219 61.427 -1.208 1
1 23 . 9 1 1 A 5 5 THR CB C 5 69.457 69.844 -0.387 1
1 25 . 9 1 1 A 5 5 THR N N 5 117.796 122.829 -5.033 1
1 26 . 9 1 1 A 6 6 TRP H H 6 8.248 8.689 -0.441 1
1 27 . 9 1 1 A 6 6 TRP HA H 6 4.608 4.185 0.423 1
1 36 . 9 1 1 A 6 6 TRP CA C 6 55.971 60.131 -4.160 1
1 37 . 9 1 1 A 6 6 TRP CB C 6 32.251 29.517 2.734 1
1 43 . 9 1 1 A 6 6 TRP N N 6 123.584 126.788 -3.204 1
1 45 . 9 1 1 A 7 7 GLY H H 7 8.590 8.345 0.245 1
1 46 . 9 1 1 A 7 7 GLY HA2 H 7 4.668 4.211 0.457 1
1 47 . 9 1 1 A 7 7 GLY HA3 H 7 3.904 4.221 -0.317 1
1 48 . 9 1 1 A 7 7 GLY CA C 7 44.451 44.539 -0.088 1
1 49 . 9 1 1 A 7 7 GLY N N 7 103.966 108.450 -4.484 1
1 50 . 9 1 1 A 8 8 LEU H H 8 6.805 8.569 -1.764 1
1 51 . 9 1 1 A 8 8 LEU HA H 8 4.204 4.233 -0.029 1
1 60 . 9 1 1 A 8 8 LEU CA C 8 53.799 55.833 -2.034 1
1 61 . 9 1 1 A 8 8 LEU CB C 8 42.762 42.291 0.471 1
1 62 . 9 1 1 A 8 8 LEU N N 8 119.119 121.558 -2.439 1
1 63 . 9 1 1 A 9 9 GLN H H 9 9.078 8.621 0.457 1
1 64 . 9 1 1 A 9 9 GLN HA H 9 4.105 4.672 -0.567 1
1 69 . 9 1 1 A 9 9 GLN CA C 9 55.604 55.208 0.396 1
1 70 . 9 1 1 A 9 9 GLN CB C 9 26.867 29.664 -2.797 1
1 71 . 9 1 1 A 9 9 GLN N N 9 124.351 123.622 0.729 1
1 72 . 9 1 1 A 10 10 ARG H H 10 6.912 8.553 -1.641 1
1 73 . 9 1 1 A 10 10 ARG HA H 10 4.536 4.915 -0.379 1
1 80 . 9 1 1 A 10 10 ARG CA C 10 51.817 54.131 -2.314 1
1 81 . 9 1 1 A 10 10 ARG CB C 10 34.485 33.342 1.143 1
1 83 . 9 1 1 A 10 10 ARG N N 10 125.940 125.866 0.074 1
1 84 . 9 1 1 A 11 11 ASP H H 11 8.544 8.939 -0.395 1
1 85 . 9 1 1 A 11 11 ASP HA H 11 4.633 4.389 0.244 1
1 88 . 9 1 1 A 11 11 ASP CA C 11 52.853 56.750 -3.897 1
1 89 . 9 1 1 A 11 11 ASP CB C 11 39.641 40.512 -0.871 1
1 90 . 9 1 1 A 11 11 ASP N N 11 121.026 123.610 -2.584 1
1 91 . 9 1 1 A 12 12 ILE H H 12 6.828 7.559 -0.731 1
1 92 . 9 1 1 A 12 12 ILE HA H 12 3.890 4.053 -0.163 1
1 102 . 9 1 1 A 12 12 ILE CA C 12 60.042 62.296 -2.254 1
1 103 . 9 1 1 A 12 12 ILE CB C 12 40.957 37.926 3.031 1
1 107 . 9 1 1 A 12 12 ILE N N 12 120.620 119.249 1.371 1
1 108 . 9 1 1 A 13 13 THR H H 13 7.910 8.586 -0.676 1
1 109 . 9 1 1 A 13 13 THR HA H 13 4.330 4.054 0.276 1
1 114 . 9 1 1 A 13 13 THR CB C 13 70.524 67.416 3.108 1
1 115 . 9 1 1 A 13 13 THR N N 13 118.106 121.163 -3.057 1
1 116 . 9 1 1 A 14 14 PRO HA H 14 4.884 4.300 0.584 1
1 122 . 9 1 1 A 14 14 PRO CA C 14 61.777 65.914 -4.137 1
1 123 . 9 1 1 A 14 14 PRO CB C 14 33.621 31.346 2.275 1
1 125 . 9 1 1 A 15 15 ARG H H 15 8.312 8.179 0.133 1
1 126 . 9 1 1 A 15 15 ARG HA H 15 5.484 4.767 0.717 1
1 131 . 9 1 1 A 15 15 ARG CA C 15 54.493 55.594 -1.101 1
1 132 . 9 1 1 A 15 15 ARG CB C 15 33.621 31.682 1.939 1
1 133 . 9 1 1 A 15 15 ARG N N 15 111.571 118.191 -6.620 1
1 134 . 9 1 1 A 16 16 LEU H H 16 9.729 8.714 1.015 1
1 135 . 9 1 1 A 16 16 LEU HA H 16 5.329 5.185 0.144 1
1 144 . 9 1 1 A 16 16 LEU CA C 16 53.650 53.791 -0.141 1
1 145 . 9 1 1 A 16 16 LEU CB C 16 44.521 45.379 -0.858 1
1 148 . 9 1 1 A 16 16 LEU N N 16 125.998 125.431 0.567 1
1 149 . 9 1 1 A 17 17 GLY H H 17 9.504 8.931 0.573 1
1 150 . 9 1 1 A 17 17 GLY HA2 H 17 5.346 4.158 1.188 1
1 151 . 9 1 1 A 17 17 GLY HA3 H 17 4.211 4.171 0.040 1
1 152 . 9 1 1 A 17 17 GLY CA C 17 43.759 44.884 -1.125 1
1 153 . 9 1 1 A 17 17 GLY N N 17 114.627 114.428 0.199 1
1 154 . 9 1 1 A 18 18 ALA H H 18 7.733 8.854 -1.121 1
1 155 . 9 1 1 A 18 18 ALA HA H 18 5.244 4.751 0.493 1
1 159 . 9 1 1 A 18 18 ALA CA C 18 51.532 51.571 -0.039 1
1 160 . 9 1 1 A 18 18 ALA CB C 18 22.204 18.975 3.229 1
1 161 . 9 1 1 A 18 18 ALA N N 18 119.712 123.689 -3.977 1
1 162 . 9 1 1 A 19 19 ARG H H 19 8.363 8.899 -0.536 1
1 163 . 9 1 1 A 19 19 ARG HA H 19 4.632 4.663 -0.031 1
1 166 . 9 1 1 A 19 19 ARG CA C 19 54.915 56.225 -1.310 1
1 167 . 9 1 1 A 19 19 ARG CB C 19 31.971 31.138 0.833 1
1 168 . 9 1 1 A 19 19 ARG N N 19 122.423 124.533 -2.110 1
1 169 . 9 1 1 A 20 20 LEU H H 20 9.540 8.989 0.551 1
1 170 . 9 1 1 A 20 20 LEU HA H 20 4.703 5.016 -0.313 1
1 179 . 9 1 1 A 20 20 LEU CA C 20 54.103 53.197 0.906 1
1 180 . 9 1 1 A 20 20 LEU CB C 20 42.688 45.270 -2.582 1
1 183 . 9 1 1 A 20 20 LEU N N 20 130.686 127.847 2.839 1
1 184 . 9 1 1 A 21 21 VAL H H 21 8.352 8.684 -0.332 1
1 185 . 9 1 1 A 21 21 VAL HA H 21 4.346 4.789 -0.443 1
1 193 . 9 1 1 A 21 21 VAL CA C 21 61.817 60.486 1.331 1
1 194 . 9 1 1 A 21 21 VAL CB C 21 33.976 33.375 0.601 1
1 197 . 9 1 1 A 21 21 VAL N N 21 120.930 119.165 1.765 1
1 198 . 9 1 1 A 22 22 GLN H H 22 8.319 8.821 -0.502 1
1 199 . 9 1 1 A 22 22 GLN HA H 22 4.646 4.707 -0.061 1
1 204 . 9 1 1 A 22 22 GLN CA C 22 54.818 55.456 -0.638 1
1 205 . 9 1 1 A 22 22 GLN CB C 22 29.251 29.718 -0.467 1
1 206 . 9 1 1 A 22 22 GLN N N 22 127.936 124.269 3.667 1
1 207 . 9 1 1 A 23 23 GLU H H 23 8.667 8.658 0.009 1
1 208 . 9 1 1 A 23 23 GLU HA H 23 4.370 4.733 -0.363 1
1 211 . 9 1 1 A 23 23 GLU CA C 23 54.495 55.145 -0.650 1
1 212 . 9 1 1 A 23 23 GLU CB C 23 30.618 32.132 -1.514 1
1 213 . 9 1 1 A 23 23 GLU N N 23 129.097 123.330 5.767 1
1 214 . 9 1 1 A 24 24 GLY H H 24 8.949 9.051 -0.102 1
1 215 . 9 1 1 A 24 24 GLY HA2 H 24 3.879 3.854 0.025 1
1 216 . 9 1 1 A 24 24 GLY HA3 H 24 3.543 3.855 -0.312 1
1 217 . 9 1 1 A 24 24 GLY CA C 24 46.645 46.218 0.427 1
1 218 . 9 1 1 A 24 24 GLY N N 24 117.894 111.322 6.572 1
1 219 . 9 1 1 A 25 25 ASN H H 25 8.747 8.626 0.121 1
1 220 . 9 1 1 A 25 25 ASN HA H 25 4.700 4.835 -0.135 1
1 223 . 9 1 1 A 25 25 ASN CA C 25 52.331 52.985 -0.654 1
1 224 . 9 1 1 A 25 25 ASN CB C 25 37.827 39.020 -1.193 1
1 225 . 9 1 1 A 25 25 ASN N N 25 124.981 124.315 0.666 1
1 226 . 9 1 1 A 26 26 GLN H H 26 7.811 7.189 0.622 1
1 227 . 9 1 1 A 26 26 GLN HA H 26 4.498 4.802 -0.304 1
1 232 . 9 1 1 A 26 26 GLN CA C 26 53.969 54.377 -0.408 1
1 233 . 9 1 1 A 26 26 GLN CB C 26 31.577 32.555 -0.978 1
1 235 . 9 1 1 A 26 26 GLN N N 26 117.634 116.235 1.399 1
1 236 . 9 1 1 A 27 27 LEU H H 27 9.306 8.858 0.448 1
1 237 . 9 1 1 A 27 27 LEU HA H 27 4.973 4.987 -0.014 1
1 246 . 9 1 1 A 27 27 LEU CA C 27 52.106 53.733 -1.627 1
1 247 . 9 1 1 A 27 27 LEU CB C 27 44.645 43.318 1.327 1
1 250 . 9 1 1 A 27 27 LEU N N 27 121.896 123.185 -1.289 1
1 251 . 9 1 1 A 28 28 HIS H H 28 8.998 8.848 0.150 1
1 252 . 9 1 1 A 28 28 HIS HA H 28 4.860 4.851 0.009 1
1 255 . 9 1 1 A 28 28 HIS CA C 28 53.461 55.219 -1.758 1
1 256 . 9 1 1 A 28 28 HIS CB C 28 30.884 30.989 -0.105 1
1 257 . 9 1 1 A 28 28 HIS N N 28 119.141 124.699 -5.558 1
1 258 . 9 1 1 A 29 29 TYR H H 29 8.811 9.195 -0.384 1
1 259 . 9 1 1 A 29 29 TYR HA H 29 4.571 4.894 -0.323 1
1 266 . 9 1 1 A 29 29 TYR CA C 29 56.308 56.710 -0.402 1
1 267 . 9 1 1 A 29 29 TYR CB C 29 38.935 39.995 -1.060 1
1 272 . 9 1 1 A 29 29 TYR N N 29 124.729 131.494 -6.765 1
1 273 . 9 1 1 A 30 30 LEU H H 30 8.677 8.360 0.317 1
1 274 . 9 1 1 A 30 30 LEU HA H 30 4.275 4.403 -0.128 1
1 283 . 9 1 1 A 30 30 LEU CA C 30 52.463 53.880 -1.417 1
1 284 . 9 1 1 A 30 30 LEU CB C 30 42.668 41.088 1.580 1
1 287 . 9 1 1 A 30 30 LEU N N 30 131.620 129.083 2.537 1
1 288 . 9 1 1 A 31 31 ALA H H 31 8.503 8.814 -0.311 1
1 289 . 9 1 1 A 31 31 ALA HA H 31 3.606 3.904 -0.298 1
1 293 . 9 1 1 A 31 31 ALA CA C 31 54.068 55.221 -1.153 1
1 294 . 9 1 1 A 31 31 ALA CB C 31 17.576 18.366 -0.790 1
1 295 . 9 1 1 A 31 31 ALA N N 31 128.548 127.755 0.793 1
1 296 . 9 1 1 A 32 32 ASP H H 32 8.102 8.054 0.048 1
1 297 . 9 1 1 A 32 32 ASP HA H 32 4.531 4.324 0.207 1
1 300 . 9 1 1 A 32 32 ASP CA C 32 53.266 56.010 -2.744 1
1 301 . 9 1 1 A 32 32 ASP CB C 32 38.572 40.142 -1.570 1
1 302 . 9 1 1 A 32 32 ASP N N 32 111.569 116.935 -5.366 1
1 303 . 9 1 1 A 33 33 ARG H H 33 7.346 7.289 0.057 1
1 304 . 9 1 1 A 33 33 ARG HA H 33 2.688 3.178 -0.490 1
1 309 . 9 1 1 A 33 33 ARG CA C 33 51.257 54.427 -3.170 1
1 310 . 9 1 1 A 33 33 ARG CB C 33 28.426 29.138 -0.712 1
1 311 . 9 1 1 A 33 33 ARG N N 33 122.483 118.925 3.558 1
1 312 . 9 1 1 A 34 34 ALA H H 34 6.661 7.331 -0.670 1
1 313 . 9 1 1 A 34 34 ALA HA H 34 5.275 4.746 0.529 1
1 317 . 9 1 1 A 34 34 ALA CA C 34 50.673 51.532 -0.859 1
1 318 . 9 1 1 A 34 34 ALA CB C 34 23.479 22.766 0.713 1
1 319 . 9 1 1 A 34 34 ALA N N 34 120.854 124.776 -3.922 1
1 320 . 9 1 1 A 35 35 SER H H 35 9.494 8.902 0.592 1
1 321 . 9 1 1 A 35 35 SER HA H 35 4.962 5.214 -0.252 1
1 324 . 9 1 1 A 35 35 SER CA C 35 57.438 57.129 0.309 1
1 325 . 9 1 1 A 35 35 SER CB C 35 66.260 65.770 0.490 1
1 326 . 9 1 1 A 35 35 SER N N 35 114.094 114.488 -0.394 1
1 327 . 9 1 1 A 36 36 ILE H H 36 8.989 8.559 0.430 1
1 328 . 9 1 1 A 36 36 ILE HA H 36 5.199 4.677 0.522 1
1 338 . 9 1 1 A 36 36 ILE CA C 36 59.982 61.190 -1.208 1
1 339 . 9 1 1 A 36 36 ILE CB C 36 39.235 38.125 1.110 1
1 343 . 9 1 1 A 36 36 ILE N N 36 125.993 125.996 -0.003 1
1 344 . 9 1 1 A 37 37 THR H H 37 9.107 8.616 0.491 1
1 345 . 9 1 1 A 37 37 THR HA H 37 4.478 4.961 -0.483 1
1 350 . 9 1 1 A 37 37 THR CA C 37 62.063 59.626 2.437 1
1 351 . 9 1 1 A 37 37 THR CB C 37 69.419 71.724 -2.305 1
1 352 . 9 1 1 A 37 37 THR N N 37 126.763 117.410 9.353 1
1 353 . 9 1 1 A 38 38 GLY H H 38 8.546 8.785 -0.239 1
1 354 . 9 1 1 A 38 38 GLY HA2 H 38 3.556 3.691 -0.135 1
1 355 . 9 1 1 A 38 38 GLY HA3 H 38 3.968 3.835 0.133 1
1 356 . 9 1 1 A 38 38 GLY CA C 38 43.487 45.401 -1.914 1
1 357 . 9 1 1 A 38 38 GLY N N 38 113.541 112.454 1.087 1
1 358 . 9 1 1 A 39 39 LYS H H 39 8.131 8.114 0.017 1
1 359 . 9 1 1 A 39 39 LYS HA H 39 4.511 3.850 0.661 1
1 366 . 9 1 1 A 39 39 LYS CA C 39 54.562 56.683 -2.121 1
1 367 . 9 1 1 A 39 39 LYS CB C 39 34.646 30.992 3.654 1
1 370 . 9 1 1 A 39 39 LYS N N 39 119.477 116.002 3.475 1
1 371 . 9 1 1 A 40 40 PHE H H 40 8.739 7.905 0.834 1
1 372 . 9 1 1 A 40 40 PHE HA H 40 4.482 4.611 -0.129 1
1 380 . 9 1 1 A 40 40 PHE CA C 40 58.592 58.740 -0.148 1
1 381 . 9 1 1 A 40 40 PHE CB C 40 39.593 39.326 0.267 1
1 387 . 9 1 1 A 40 40 PHE N N 40 125.875 122.179 3.696 1
1 388 . 9 1 1 A 41 41 SER H H 41 9.825 8.717 1.108 1
1 389 . 9 1 1 A 41 41 SER HA H 41 4.484 4.788 -0.304 1
1 392 . 9 1 1 A 41 41 SER CA C 41 57.383 57.310 0.073 1
1 393 . 9 1 1 A 41 41 SER CB C 41 64.570 65.309 -0.739 1
1 394 . 9 1 1 A 41 41 SER N N 41 120.297 117.895 2.402 1
1 395 . 9 1 1 A 42 42 ASP H H 42 8.944 8.933 0.011 1
1 396 . 9 1 1 A 42 42 ASP HA H 42 4.493 4.444 0.049 1
1 399 . 9 1 1 A 42 42 ASP CA C 42 57.068 56.473 0.595 1
1 400 . 9 1 1 A 42 42 ASP CB C 42 39.471 40.363 -0.892 1
1 401 . 9 1 1 A 42 42 ASP N N 42 121.339 120.961 0.378 1
1 402 . 9 1 1 A 43 43 ALA H H 43 8.071 7.773 0.298 1
1 403 . 9 1 1 A 43 43 ALA HA H 43 4.254 4.201 0.053 1
1 407 . 9 1 1 A 43 43 ALA CA C 43 53.245 53.104 0.141 1
1 408 . 9 1 1 A 43 43 ALA CB C 43 18.716 19.221 -0.505 1
1 409 . 9 1 1 A 43 43 ALA N N 43 119.592 121.291 -1.699 1
1 410 . 9 1 1 A 44 44 GLU H H 44 7.860 7.833 0.027 1
1 411 . 9 1 1 A 44 44 GLU HA H 44 4.164 4.485 -0.321 1
1 414 . 9 1 1 A 44 44 GLU CA C 44 57.748 56.892 0.856 1
1 415 . 9 1 1 A 44 44 GLU CB C 44 30.832 30.776 0.056 1
1 416 . 9 1 1 A 44 44 GLU N N 44 117.391 116.287 1.104 1
1 417 . 9 1 1 A 45 45 CYS H H 45 8.212 8.450 -0.238 1
1 418 . 9 1 1 A 45 45 CYS HA H 45 4.010 4.134 -0.124 1
1 421 . 9 1 1 A 45 45 CYS CA C 45 65.262 63.576 1.686 1
1 422 . 9 1 1 A 45 45 CYS CB C 45 24.356 26.477 -2.121 1
1 423 . 9 1 1 A 45 45 CYS N N 45 117.475 120.433 -2.958 1
1 424 . 9 1 1 A 46 46 PRO HA H 46 4.406 4.267 0.139 1
1 427 . 9 1 1 A 46 46 PRO CA C 46 64.575 66.260 -1.685 1
1 428 . 9 1 1 A 46 46 PRO CB C 46 30.339 30.874 -0.535 1
1 429 . 9 1 1 A 47 47 LYS H H 47 6.825 7.983 -1.158 1
1 430 . 9 1 1 A 47 47 LYS HA H 47 4.032 4.065 -0.033 1
1 437 . 9 1 1 A 47 47 LYS CA C 47 57.897 59.479 -1.582 1
1 438 . 9 1 1 A 47 47 LYS CB C 47 32.303 32.142 0.161 1
1 440 . 9 1 1 A 47 47 LYS N N 47 116.096 119.123 -3.027 1
1 441 . 9 1 1 A 48 48 LEU H H 48 7.980 7.923 0.057 1
1 442 . 9 1 1 A 48 48 LEU HA H 48 3.252 3.939 -0.687 1
1 451 . 9 1 1 A 48 48 LEU CA C 48 57.086 57.863 -0.777 1
1 452 . 9 1 1 A 48 48 LEU CB C 48 40.525 41.548 -1.023 1
1 455 . 9 1 1 A 48 48 LEU N N 48 122.611 120.929 1.682 1
1 456 . 9 1 1 A 49 49 ASP H H 49 7.219 7.860 -0.641 1
1 457 . 9 1 1 A 49 49 ASP HA H 49 4.221 4.502 -0.281 1
1 460 . 9 1 1 A 49 49 ASP CA C 49 56.273 56.744 -0.471 1
1 461 . 9 1 1 A 49 49 ASP CB C 49 40.150 40.668 -0.518 1
1 462 . 9 1 1 A 49 49 ASP N N 49 115.153 118.336 -3.183 1
1 463 . 9 1 1 A 50 50 VAL H H 50 7.057 7.530 -0.473 1
1 464 . 9 1 1 A 50 50 VAL HA H 50 3.921 4.003 -0.082 1
1 472 . 9 1 1 A 50 50 VAL CA C 50 63.679 64.944 -1.265 1
1 473 . 9 1 1 A 50 50 VAL CB C 50 32.269 31.937 0.332 1
1 476 . 9 1 1 A 50 50 VAL N N 50 115.474 119.099 -3.625 1
1 477 . 9 1 1 A 51 51 VAL H H 51 8.071 7.904 0.167 1
1 478 . 9 1 1 A 51 51 VAL HA H 51 3.805 3.973 -0.168 1
1 486 . 9 1 1 A 51 51 VAL CA C 51 63.650 65.145 -1.495 1
1 487 . 9 1 1 A 51 51 VAL CB C 51 31.130 31.771 -0.641 1
1 490 . 9 1 1 A 51 51 VAL N N 51 116.526 120.799 -4.273 1
1 491 . 9 1 1 A 52 52 PHE H H 52 8.203 7.829 0.374 1
1 492 . 9 1 1 A 52 52 PHE HA H 52 4.382 4.380 0.002 1
1 497 . 9 1 1 A 52 52 PHE CA C 52 63.038 62.243 0.795 1
1 498 . 9 1 1 A 52 52 PHE CB C 52 36.263 38.412 -2.149 1
1 501 . 9 1 1 A 52 52 PHE N N 52 121.336 120.682 0.654 1
1 502 . 9 1 1 A 53 53 PRO HA H 53 3.930 4.386 -0.456 1
1 507 . 9 1 1 A 53 53 PRO CA C 53 65.098 65.835 -0.737 1
1 508 . 9 1 1 A 53 53 PRO CB C 53 30.053 31.323 -1.270 1
1 509 . 9 1 1 A 54 54 HIS H H 54 6.741 8.466 -1.725 1
1 510 . 9 1 1 A 54 54 HIS HA H 54 4.041 4.528 -0.487 1
1 513 . 9 1 1 A 54 54 HIS CA C 54 59.100 57.729 1.371 1
1 514 . 9 1 1 A 54 54 HIS CB C 54 28.478 29.026 -0.548 1
1 515 . 9 1 1 A 54 54 HIS N N 54 116.851 115.566 1.285 1
1 516 . 9 1 1 A 55 55 PHE H H 55 7.902 7.971 -0.069 1
1 517 . 9 1 1 A 55 55 PHE HA H 55 4.230 4.589 -0.359 1
1 522 . 9 1 1 A 55 55 PHE CA C 55 59.471 59.035 0.436 1
1 523 . 9 1 1 A 55 55 PHE CB C 55 37.210 40.305 -3.095 1
1 526 . 9 1 1 A 55 55 PHE N N 55 118.222 116.551 1.671 1
1 527 . 9 1 1 A 56 56 ILE H H 56 7.812 7.782 0.030 1
1 528 . 9 1 1 A 56 56 ILE HA H 56 3.176 3.661 -0.485 1
1 538 . 9 1 1 A 56 56 ILE CA C 56 64.446 65.117 -0.671 1
1 539 . 9 1 1 A 56 56 ILE CB C 56 35.405 37.828 -2.423 1
1 542 . 9 1 1 A 56 56 ILE N N 56 117.686 120.048 -2.362 1
1 543 . 9 1 1 A 57 57 SER H H 57 7.660 8.195 -0.535 1
1 544 . 9 1 1 A 57 57 SER HA H 57 4.230 4.105 0.125 1
1 547 . 9 1 1 A 57 57 SER CA C 57 60.942 61.422 -0.480 1
1 548 . 9 1 1 A 57 57 SER CB C 57 62.062 62.330 -0.268 1
1 549 . 9 1 1 A 57 57 SER N N 57 113.709 115.443 -1.734 1
1 550 . 9 1 1 A 58 58 GLN H H 58 7.830 7.752 0.078 1
1 551 . 9 1 1 A 58 58 GLN HA H 58 3.934 3.970 -0.036 1
1 554 . 9 1 1 A 58 58 GLN CA C 58 58.232 58.789 -0.557 1
1 555 . 9 1 1 A 58 58 GLN CB C 58 28.502 28.308 0.194 1
1 556 . 9 1 1 A 58 58 GLN N N 58 121.550 121.450 0.100 1
1 557 . 9 1 1 A 59 59 ILE H H 59 8.482 8.174 0.308 1
1 558 . 9 1 1 A 59 59 ILE HA H 59 3.434 3.633 -0.199 1
1 568 . 9 1 1 A 59 59 ILE CA C 59 65.096 65.537 -0.441 1
1 569 . 9 1 1 A 59 59 ILE CB C 59 36.901 37.780 -0.879 1
1 572 . 9 1 1 A 59 59 ILE N N 59 121.796 121.054 0.742 1
1 573 . 9 1 1 A 60 60 GLU H H 60 8.450 8.819 -0.369 1
1 574 . 9 1 1 A 60 60 GLU HA H 60 3.705 4.038 -0.333 1
1 579 . 9 1 1 A 60 60 GLU CA C 60 59.896 59.872 0.024 1
1 580 . 9 1 1 A 60 60 GLU CB C 60 29.133 29.419 -0.286 1
1 581 . 9 1 1 A 60 60 GLU N N 60 119.765 121.473 -1.708 1
1 582 . 9 1 1 A 61 61 SER H H 61 7.815 8.117 -0.302 1
1 583 . 9 1 1 A 61 61 SER HA H 61 4.226 4.246 -0.020 1
1 586 . 9 1 1 A 61 61 SER CA C 61 61.382 61.372 0.010 1
1 587 . 9 1 1 A 61 61 SER N N 61 114.979 116.145 -1.166 1
1 588 . 9 1 1 A 62 62 MET H H 62 7.878 8.245 -0.367 1
1 589 . 9 1 1 A 62 62 MET HA H 62 4.390 4.189 0.201 1
1 595 . 9 1 1 A 62 62 MET CA C 62 58.334 58.143 0.191 1
1 596 . 9 1 1 A 62 62 MET CB C 62 33.326 32.049 1.277 1
1 597 . 9 1 1 A 62 62 MET N N 62 120.947 119.956 0.991 1
1 598 . 9 1 1 A 63 63 LEU H H 63 8.179 7.776 0.403 1
1 599 . 9 1 1 A 63 63 LEU HA H 63 4.333 4.017 0.316 1
1 609 . 9 1 1 A 63 63 LEU CA C 63 56.920 57.819 -0.899 1
1 610 . 9 1 1 A 63 63 LEU CB C 63 40.871 41.711 -0.840 1
1 613 . 9 1 1 A 63 63 LEU N N 63 121.156 120.391 0.765 1
1 614 . 9 1 1 A 64 64 THR H H 64 7.913 7.351 0.562 1
1 615 . 9 1 1 A 64 64 THR HA H 64 3.980 4.164 -0.184 1
1 620 . 9 1 1 A 64 64 THR CA C 64 65.633 65.461 0.172 1
1 621 . 9 1 1 A 64 64 THR CB C 64 68.205 69.258 -1.053 1
1 622 . 9 1 1 A 64 64 THR N N 64 116.077 114.139 1.938 1
1 623 . 9 1 1 A 65 65 THR H H 65 8.138 8.939 -0.801 1
1 624 . 9 1 1 A 65 65 THR HA H 65 4.224 3.966 0.258 1
1 629 . 9 1 1 A 65 65 THR CA C 65 62.390 66.826 -4.436 1
1 630 . 9 1 1 A 65 65 THR CB C 65 69.153 67.794 1.359 1
1 632 . 9 1 1 A 65 65 THR N N 65 110.012 116.169 -6.157 1
1 633 . 9 1 1 A 66 66 GLY H H 66 7.529 7.983 -0.454 1
1 634 . 9 1 1 A 66 66 GLY HA2 H 66 4.300 3.920 0.380 1
1 635 . 9 1 1 A 66 66 GLY HA3 H 66 3.771 3.922 -0.151 1
1 636 . 9 1 1 A 66 66 GLY CA C 66 44.829 45.553 -0.724 1
1 637 . 9 1 1 A 66 66 GLY N N 66 108.759 107.940 0.819 1
1 638 . 9 1 1 A 67 67 GLU H H 67 8.480 7.913 0.567 1
1 639 . 9 1 1 A 67 67 GLU HA H 67 3.920 4.120 -0.200 1
1 644 . 9 1 1 A 67 67 GLU CA C 67 59.013 57.196 1.817 1
1 645 . 9 1 1 A 67 67 GLU CB C 67 30.042 28.157 1.885 1
1 647 . 9 1 1 A 67 67 GLU N N 67 123.262 116.408 6.854 1
1 648 . 9 1 1 A 68 68 LEU H H 68 7.137 7.743 -0.606 1
1 649 . 9 1 1 A 68 68 LEU HA H 68 4.545 4.840 -0.295 1
1 659 . 9 1 1 A 68 68 LEU CA C 68 52.955 54.847 -1.892 1
1 660 . 9 1 1 A 68 68 LEU CB C 68 45.377 43.021 2.356 1
1 663 . 9 1 1 A 68 68 LEU N N 68 115.782 120.690 -4.908 1
1 664 . 9 1 1 A 69 69 ASN H H 69 9.102 8.663 0.439 1
1 665 . 9 1 1 A 69 69 ASN HA H 69 5.125 5.163 -0.038 1
1 668 . 9 1 1 A 69 69 ASN CA C 69 49.347 49.835 -0.488 1
1 669 . 9 1 1 A 69 69 ASN CB C 69 41.313 41.351 -0.038 1
1 670 . 9 1 1 A 69 69 ASN N N 69 121.546 123.933 -2.387 1
1 671 . 9 1 1 A 70 70 PRO HA H 70 4.479 4.644 -0.165 1
1 678 . 9 1 1 A 70 70 PRO CA C 70 64.544 62.464 2.080 1
1 679 . 9 1 1 A 70 70 PRO CB C 70 33.813 29.889 3.924 1
1 681 . 9 1 1 A 71 71 ARG H H 71 7.981 8.614 -0.633 1
1 682 . 9 1 1 A 71 71 ARG HA H 71 4.225 4.335 -0.110 1
1 689 . 9 1 1 A 71 71 ARG CA C 71 55.319 56.622 -1.303 1
1 690 . 9 1 1 A 71 71 ARG CB C 71 30.545 32.846 -2.301 1
1 693 . 9 1 1 A 71 71 ARG N N 71 109.539 120.912 -11.373 1
1 694 . 9 1 1 A 72 72 HIS H H 72 7.702 7.598 0.104 1
1 695 . 9 1 1 A 72 72 HIS HA H 72 4.780 5.118 -0.338 1
1 698 . 9 1 1 A 72 72 HIS CA C 72 53.769 54.754 -0.985 1
1 699 . 9 1 1 A 72 72 HIS CB C 72 32.267 33.648 -1.381 1
1 700 . 9 1 1 A 72 72 HIS N N 72 118.028 114.241 3.787 1
1 701 . 9 1 1 A 73 73 ALA H H 73 8.586 8.696 -0.110 1
1 702 . 9 1 1 A 73 73 ALA HA H 73 4.130 4.408 -0.278 1
1 706 . 9 1 1 A 73 73 ALA CA C 73 52.426 52.820 -0.394 1
1 707 . 9 1 1 A 73 73 ALA CB C 73 17.699 19.177 -1.478 1
1 708 . 9 1 1 A 73 73 ALA N N 73 127.706 126.189 1.517 1
1 709 . 9 1 1 A 74 74 GLN H H 74 9.530 8.927 0.603 1
1 710 . 9 1 1 A 74 74 GLN HA H 74 4.089 4.926 -0.837 1
1 715 . 9 1 1 A 74 74 GLN CA C 74 57.063 54.398 2.665 1
1 716 . 9 1 1 A 74 74 GLN CB C 74 29.296 30.706 -1.410 1
1 717 . 9 1 1 A 74 74 GLN N N 74 125.174 122.038 3.136 1
1 718 . 9 1 1 A 75 75 CYS H H 75 8.611 9.063 -0.452 1
1 719 . 9 1 1 A 75 75 CYS HA H 75 5.175 4.873 0.302 1
1 722 . 9 1 1 A 75 75 CYS CA C 75 57.365 59.289 -1.924 1
1 723 . 9 1 1 A 75 75 CYS CB C 75 27.393 28.465 -1.072 1
1 724 . 9 1 1 A 75 75 CYS N N 75 127.825 124.643 3.182 1
1 725 . 9 1 1 A 76 76 VAL H H 76 9.430 8.905 0.525 1
1 726 . 9 1 1 A 76 76 VAL HA H 76 4.672 5.035 -0.363 1
1 734 . 9 1 1 A 76 76 VAL CA C 76 59.670 60.428 -0.758 1
1 735 . 9 1 1 A 76 76 VAL CB C 76 33.946 35.234 -1.288 1
1 738 . 9 1 1 A 76 76 VAL N N 76 127.195 125.686 1.509 1
1 739 . 9 1 1 A 77 77 THR H H 77 8.203 9.098 -0.895 1
1 740 . 9 1 1 A 77 77 THR HA H 77 4.890 5.290 -0.400 1
1 745 . 9 1 1 A 77 77 THR CA C 77 61.623 60.912 0.711 1
1 746 . 9 1 1 A 77 77 THR CB C 77 69.561 70.605 -1.044 1
1 747 . 9 1 1 A 77 77 THR N N 77 117.773 119.994 -2.221 1
1 748 . 9 1 1 A 78 78 LEU H H 78 9.220 9.115 0.105 1
1 749 . 9 1 1 A 78 78 LEU HA H 78 4.597 4.879 -0.282 1
1 758 . 9 1 1 A 78 78 LEU CA C 78 52.667 53.828 -1.161 1
1 759 . 9 1 1 A 78 78 LEU CB C 78 45.023 43.472 1.551 1
1 762 . 9 1 1 A 78 78 LEU N N 78 127.846 127.793 0.053 1
1 763 . 9 1 1 A 79 79 TYR H H 79 8.739 8.299 0.440 1
1 764 . 9 1 1 A 79 79 TYR HA H 79 5.680 5.652 0.028 1
1 771 . 9 1 1 A 79 79 TYR CA C 79 55.963 55.861 0.102 1
1 772 . 9 1 1 A 79 79 TYR CB C 79 41.396 42.007 -0.611 1
1 777 . 9 1 1 A 79 79 TYR N N 79 117.451 118.041 -0.590 1
1 778 . 9 1 1 A 80 80 HIS H H 80 9.324 8.845 0.479 1
1 779 . 9 1 1 A 80 80 HIS HA H 80 4.545 4.707 -0.162 1
1 782 . 9 1 1 A 80 80 HIS CA C 80 57.781 56.614 1.167 1
1 783 . 9 1 1 A 80 80 HIS CB C 80 32.894 30.231 2.663 1
1 784 . 9 1 1 A 80 80 HIS N N 80 121.592 119.803 1.789 1
1 785 . 9 1 1 A 81 81 ASN H H 81 8.619 8.211 0.408 1
1 786 . 9 1 1 A 81 81 ASN HA H 81 4.091 4.469 -0.378 1
1 789 . 9 1 1 A 81 81 ASN CA C 81 52.908 52.308 0.600 1
1 790 . 9 1 1 A 81 81 ASN CB C 81 37.384 38.517 -1.133 1
1 791 . 9 1 1 A 81 81 ASN N N 81 125.264 118.109 7.155 1
1 792 . 9 1 1 A 82 82 GLY H H 82 8.336 8.707 -0.371 1
1 793 . 9 1 1 A 82 82 GLY HA2 H 82 4.096 3.937 0.159 1
1 794 . 9 1 1 A 82 82 GLY HA3 H 82 3.595 3.945 -0.350 1
1 795 . 9 1 1 A 82 82 GLY CA C 82 45.132 45.443 -0.311 1
1 796 . 9 1 1 A 82 82 GLY N N 82 102.719 107.432 -4.713 1
1 797 . 9 1 1 A 83 83 PHE H H 83 8.498 8.131 0.367 1
1 798 . 9 1 1 A 83 83 PHE HA H 83 5.049 4.428 0.621 1
1 803 . 9 1 1 A 83 83 PHE CA C 83 57.244 58.511 -1.267 1
1 804 . 9 1 1 A 83 83 PHE CB C 83 42.331 39.827 2.504 1
1 807 . 9 1 1 A 83 83 PHE N N 83 120.461 121.562 -1.101 1
1 808 . 9 1 1 A 84 84 THR H H 84 9.387 8.155 1.232 1
1 809 . 9 1 1 A 84 84 THR HA H 84 4.771 4.686 0.085 1
1 814 . 9 1 1 A 84 84 THR CA C 84 60.323 59.990 0.333 1
1 815 . 9 1 1 A 84 84 THR CB C 84 71.263 70.863 0.400 1
1 816 . 9 1 1 A 84 84 THR N N 84 118.901 116.037 2.864 1
1 817 . 9 1 1 A 85 85 CYS H H 85 8.691 8.675 0.016 1
1 818 . 9 1 1 A 85 85 CYS HA H 85 5.010 4.855 0.155 1
1 821 . 9 1 1 A 85 85 CYS CA C 85 54.594 57.446 -2.852 1
1 822 . 9 1 1 A 85 85 CYS CB C 85 26.847 28.785 -1.938 1
1 823 . 9 1 1 A 85 85 CYS N N 85 124.244 125.776 -1.532 1
1 824 . 9 1 1 A 86 86 GLU H H 86 9.051 8.339 0.712 1
1 825 . 9 1 1 A 86 86 GLU HA H 86 5.304 5.050 0.254 1
1 830 . 9 1 1 A 86 86 GLU CA C 86 54.424 55.534 -1.110 1
1 831 . 9 1 1 A 86 86 GLU CB C 86 34.037 31.885 2.152 1
1 832 . 9 1 1 A 86 86 GLU N N 86 128.372 125.632 2.740 1
1 833 . 9 1 1 A 87 87 ALA H H 87 8.758 8.800 -0.042 1
1 834 . 9 1 1 A 87 87 ALA HA H 87 5.520 5.275 0.245 1
1 838 . 9 1 1 A 87 87 ALA CA C 87 49.578 50.750 -1.172 1
1 839 . 9 1 1 A 87 87 ALA N N 87 122.903 124.207 -1.304 1
1 840 . 9 1 1 A 88 88 ASP H H 88 8.849 8.716 0.133 1
1 841 . 9 1 1 A 88 88 ASP HA H 88 5.146 5.203 -0.057 1
1 844 . 9 1 1 A 88 88 ASP CA C 88 53.299 53.457 -0.158 1
1 845 . 9 1 1 A 88 88 ASP CB C 88 46.981 44.557 2.424 1
1 846 . 9 1 1 A 88 88 ASP N N 88 119.653 116.176 3.477 1
1 847 . 9 1 1 A 89 89 THR H H 89 9.780 8.819 0.961 1
1 848 . 9 1 1 A 89 89 THR HA H 89 4.940 4.431 0.509 1
1 853 . 9 1 1 A 89 89 THR CA C 89 63.221 62.479 0.742 1
1 854 . 9 1 1 A 89 89 THR CB C 89 69.269 69.942 -0.673 1
1 856 . 9 1 1 A 89 89 THR N N 89 120.857 115.184 5.673 1
1 857 . 9 1 1 A 90 90 LEU H H 90 10.670 8.309 2.361 1
1 858 . 9 1 1 A 90 90 LEU HA H 90 3.619 4.015 -0.396 1
1 868 . 9 1 1 A 90 90 LEU CA C 90 55.620 56.292 -0.672 1
1 869 . 9 1 1 A 90 90 LEU CB C 90 38.653 40.259 -1.606 1
1 873 . 9 1 1 A 90 90 LEU N N 90 121.028 119.952 1.076 1
1 874 . 9 1 1 A 91 91 GLY H H 91 8.606 8.633 -0.027 1
1 875 . 9 1 1 A 91 91 GLY HA2 H 91 3.500 3.890 -0.390 1
1 876 . 9 1 1 A 91 91 GLY HA3 H 91 3.680 3.897 -0.217 1
1 877 . 9 1 1 A 91 91 GLY CA C 91 46.299 46.062 0.237 1
1 878 . 9 1 1 A 91 91 GLY N N 91 107.743 105.770 1.973 1
1 879 . 9 1 1 A 92 92 SER H H 92 8.126 8.426 -0.300 1
1 880 . 9 1 1 A 92 92 SER HA H 92 4.078 4.692 -0.614 1
1 883 . 9 1 1 A 92 92 SER CA C 92 59.779 58.303 1.476 1
1 884 . 9 1 1 A 92 92 SER CB C 92 65.161 64.063 1.098 1
1 885 . 9 1 1 A 92 92 SER N N 92 112.753 117.092 -4.339 1
1 886 . 9 1 1 A 93 93 CYS H H 93 9.001 8.661 0.340 1
1 887 . 9 1 1 A 93 93 CYS HA H 93 3.617 4.944 -1.327 1
1 890 . 9 1 1 A 93 93 CYS CA C 93 59.953 58.712 1.241 1
1 891 . 9 1 1 A 93 93 CYS CB C 93 25.176 30.155 -4.979 1
1 892 . 9 1 1 A 93 93 CYS N N 93 119.159 118.706 0.453 1
1 893 . 9 1 1 A 94 94 GLY H H 94 8.795 8.733 0.062 1
1 894 . 9 1 1 A 94 94 GLY HA2 H 94 4.063 3.545 0.518 1
1 895 . 9 1 1 A 94 94 GLY HA3 H 94 3.503 3.727 -0.224 1
1 896 . 9 1 1 A 94 94 GLY CA C 94 46.150 46.026 0.124 1
1 897 . 9 1 1 A 94 94 GLY N N 94 105.924 112.592 -6.668 1
1 898 . 9 1 1 A 95 95 TYR H H 95 8.144 7.990 0.154 1
1 899 . 9 1 1 A 95 95 TYR HA H 95 5.743 5.009 0.734 1
1 906 . 9 1 1 A 95 95 TYR CA C 95 54.818 56.141 -1.323 1
1 907 . 9 1 1 A 95 95 TYR CB C 95 41.503 43.240 -1.737 1
1 912 . 9 1 1 A 95 95 TYR N N 95 118.757 118.603 0.154 1
1 913 . 9 1 1 A 96 96 VAL H H 96 8.280 8.535 -0.255 1
1 914 . 9 1 1 A 96 96 VAL HA H 96 4.082 4.986 -0.904 1
1 922 . 9 1 1 A 96 96 VAL CA C 96 62.593 60.092 2.501 1
1 923 . 9 1 1 A 96 96 VAL CB C 96 34.676 35.941 -1.265 1
1 926 . 9 1 1 A 96 96 VAL N N 96 117.579 116.810 0.769 1
1 927 . 9 1 1 A 97 97 TYR H H 97 9.171 9.005 0.166 1
1 928 . 9 1 1 A 97 97 TYR HA H 97 4.987 5.378 -0.391 1
1 935 . 9 1 1 A 97 97 TYR CA C 97 57.046 56.559 0.487 1
1 936 . 9 1 1 A 97 97 TYR CB C 97 39.334 40.679 -1.345 1
1 941 . 9 1 1 A 97 97 TYR N N 97 129.228 122.677 6.551 1
1 942 . 9 1 1 A 98 98 ILE H H 98 8.739 8.885 -0.146 1
1 943 . 9 1 1 A 98 98 ILE HA H 98 6.098 5.350 0.748 1
1 953 . 9 1 1 A 98 98 ILE CA C 98 57.878 59.366 -1.488 1
1 954 . 9 1 1 A 98 98 ILE CB C 98 43.028 42.425 0.603 1
1 958 . 9 1 1 A 98 98 ILE N N 98 112.588 118.548 -5.960 1
1 959 . 9 1 1 A 99 99 ALA H H 99 8.867 8.260 0.607 1
1 960 . 9 1 1 A 99 99 ALA HA H 99 5.507 5.259 0.248 1
1 964 . 9 1 1 A 99 99 ALA CA C 99 51.757 51.244 0.513 1
1 965 . 9 1 1 A 99 99 ALA CB C 99 21.801 23.949 -2.148 1
1 966 . 9 1 1 A 99 99 ALA N N 99 124.370 124.115 0.255 1
1 967 . 9 1 1 A 100 100 VAL H H 100 9.706 8.596 1.110 1
1 968 . 9 1 1 A 100 100 VAL HA H 100 5.238 5.223 0.015 1
1 976 . 9 1 1 A 100 100 VAL CA C 100 60.077 59.431 0.646 1
1 977 . 9 1 1 A 100 100 VAL CB C 100 34.166 34.982 -0.816 1
1 980 . 9 1 1 A 100 100 VAL N N 100 122.354 118.754 3.600 1
1 981 . 9 1 1 A 101 101 TYR H H 101 8.833 8.780 0.053 1
1 982 . 9 1 1 A 101 101 TYR HA H 101 5.529 5.319 0.210 1
1 985 . 9 1 1 A 101 101 TYR CA C 101 54.118 54.840 -0.722 1
1 986 . 9 1 1 A 101 101 TYR CB C 101 37.597 39.061 -1.464 1
1 987 . 9 1 1 A 101 101 TYR N N 101 123.413 123.336 0.077 1
1 988 . 9 1 1 A 102 102 PRO HA H 102 4.198 4.329 -0.131 1
1 993 . 9 1 1 A 102 102 PRO CA C 102 61.976 63.068 -1.092 1
1 994 . 9 1 1 A 102 102 PRO CB C 102 31.325 31.886 -0.561 1
1 996 . 9 1 1 A 103 103 THR H H 103 8.740 8.223 0.517 1
1 997 . 9 1 1 A 103 103 THR HA H 103 3.983 4.525 -0.542 1
1 1002 . 9 1 1 A 103 103 THR CA C 103 64.447 61.597 2.850 1
1 1003 . 9 1 1 A 103 103 THR CB C 103 68.595 69.901 -1.306 1
1 1005 . 9 1 1 A 103 103 THR N N 103 122.463 113.917 8.546 1
1 1006 . 9 1 1 A 104 104 GLN H H 104 8.672 8.792 -0.120 1
1 1007 . 9 1 1 A 104 104 GLN HA H 104 4.309 4.039 0.270 1
1 1010 . 9 1 1 A 104 104 GLN CA C 104 54.989 59.636 -4.647 1
1 1011 . 9 1 1 A 104 104 GLN CB C 104 29.277 28.609 0.668 1
1 1012 . 9 1 1 A 104 104 GLN N N 104 123.452 124.039 -0.587 1
1 1 . 10 1 1 A 3 3 ASN HA H 3 4.740 4.526 0.214 1
1 4 . 10 1 1 A 3 3 ASN CA C 3 52.719 56.269 -3.550 1
1 5 . 10 1 1 A 3 3 ASN CB C 3 38.344 38.039 0.305 1
1 6 . 10 1 1 A 4 4 THR H H 4 8.142 7.264 0.878 1
1 7 . 10 1 1 A 4 4 THR HA H 4 4.059 3.976 0.083 1
1 12 . 10 1 1 A 4 4 THR CA C 4 61.542 63.776 -2.234 1
1 13 . 10 1 1 A 4 4 THR CB C 4 69.257 68.509 0.748 1
1 15 . 10 1 1 A 4 4 THR N N 4 116.100 115.177 0.923 1
1 16 . 10 1 1 A 5 5 THR H H 5 7.898 8.433 -0.535 1
1 17 . 10 1 1 A 5 5 THR HA H 5 4.167 4.855 -0.688 1
1 22 . 10 1 1 A 5 5 THR CA C 5 60.219 60.195 0.024 1
1 23 . 10 1 1 A 5 5 THR CB C 5 69.457 71.539 -2.082 1
1 25 . 10 1 1 A 5 5 THR N N 5 117.796 116.388 1.408 1
1 26 . 10 1 1 A 6 6 TRP H H 6 8.248 8.669 -0.421 1
1 27 . 10 1 1 A 6 6 TRP HA H 6 4.608 5.083 -0.475 1
1 36 . 10 1 1 A 6 6 TRP CA C 6 55.971 56.361 -0.390 1
1 37 . 10 1 1 A 6 6 TRP CB C 6 32.251 31.755 0.496 1
1 43 . 10 1 1 A 6 6 TRP N N 6 123.584 124.744 -1.160 1
1 45 . 10 1 1 A 7 7 GLY H H 7 8.590 8.710 -0.120 1
1 46 . 10 1 1 A 7 7 GLY HA2 H 7 4.668 4.275 0.393 1
1 47 . 10 1 1 A 7 7 GLY HA3 H 7 3.904 4.296 -0.392 1
1 48 . 10 1 1 A 7 7 GLY CA C 7 44.451 44.206 0.245 1
1 49 . 10 1 1 A 7 7 GLY N N 7 103.966 110.388 -6.422 1
1 50 . 10 1 1 A 8 8 LEU H H 8 6.805 8.626 -1.821 1
1 51 . 10 1 1 A 8 8 LEU HA H 8 4.204 4.414 -0.210 1
1 60 . 10 1 1 A 8 8 LEU CA C 8 53.799 55.318 -1.519 1
1 61 . 10 1 1 A 8 8 LEU CB C 8 42.762 42.533 0.229 1
1 62 . 10 1 1 A 8 8 LEU N N 8 119.119 122.705 -3.586 1
1 63 . 10 1 1 A 9 9 GLN H H 9 9.078 8.386 0.692 1
1 64 . 10 1 1 A 9 9 GLN HA H 9 4.105 4.915 -0.810 1
1 69 . 10 1 1 A 9 9 GLN CA C 9 55.604 54.947 0.657 1
1 70 . 10 1 1 A 9 9 GLN CB C 9 26.867 29.669 -2.802 1
1 71 . 10 1 1 A 9 9 GLN N N 9 124.351 121.439 2.912 1
1 72 . 10 1 1 A 10 10 ARG H H 10 6.912 8.442 -1.530 1
1 73 . 10 1 1 A 10 10 ARG HA H 10 4.536 4.787 -0.251 1
1 80 . 10 1 1 A 10 10 ARG CA C 10 51.817 53.960 -2.143 1
1 81 . 10 1 1 A 10 10 ARG CB C 10 34.485 33.431 1.054 1
1 83 . 10 1 1 A 10 10 ARG N N 10 125.940 124.723 1.217 1
1 84 . 10 1 1 A 11 11 ASP H H 11 8.544 8.863 -0.319 1
1 85 . 10 1 1 A 11 11 ASP HA H 11 4.633 4.369 0.264 1
1 88 . 10 1 1 A 11 11 ASP CA C 11 52.853 55.403 -2.550 1
1 89 . 10 1 1 A 11 11 ASP CB C 11 39.641 40.690 -1.049 1
1 90 . 10 1 1 A 11 11 ASP N N 11 121.026 121.711 -0.685 1
1 91 . 10 1 1 A 12 12 ILE H H 12 6.828 7.675 -0.847 1
1 92 . 10 1 1 A 12 12 ILE HA H 12 3.890 4.217 -0.327 1
1 102 . 10 1 1 A 12 12 ILE CA C 12 60.042 60.993 -0.951 1
1 103 . 10 1 1 A 12 12 ILE CB C 12 40.957 38.121 2.836 1
1 107 . 10 1 1 A 12 12 ILE N N 12 120.620 120.729 -0.109 1
1 108 . 10 1 1 A 13 13 THR H H 13 7.910 8.720 -0.810 1
1 109 . 10 1 1 A 13 13 THR HA H 13 4.330 4.334 -0.004 1
1 114 . 10 1 1 A 13 13 THR CB C 13 70.524 69.165 1.359 1
1 115 . 10 1 1 A 13 13 THR N N 13 118.106 119.397 -1.291 1
1 116 . 10 1 1 A 14 14 PRO HA H 14 4.884 4.830 0.054 1
1 122 . 10 1 1 A 14 14 PRO CA C 14 61.777 62.303 -0.526 1
1 123 . 10 1 1 A 14 14 PRO CB C 14 33.621 32.146 1.475 1
1 125 . 10 1 1 A 15 15 ARG H H 15 8.312 8.619 -0.307 1
1 126 . 10 1 1 A 15 15 ARG HA H 15 5.484 5.317 0.167 1
1 131 . 10 1 1 A 15 15 ARG CA C 15 54.493 54.661 -0.168 1
1 132 . 10 1 1 A 15 15 ARG CB C 15 33.621 34.188 -0.567 1
1 133 . 10 1 1 A 15 15 ARG N N 15 111.571 118.511 -6.940 1
1 134 . 10 1 1 A 16 16 LEU H H 16 9.729 9.027 0.702 1
1 135 . 10 1 1 A 16 16 LEU HA H 16 5.329 5.271 0.058 1
1 144 . 10 1 1 A 16 16 LEU CA C 16 53.650 53.835 -0.185 1
1 145 . 10 1 1 A 16 16 LEU CB C 16 44.521 45.521 -1.000 1
1 148 . 10 1 1 A 16 16 LEU N N 16 125.998 123.439 2.559 1
1 149 . 10 1 1 A 17 17 GLY H H 17 9.504 9.220 0.284 1
1 150 . 10 1 1 A 17 17 GLY HA2 H 17 5.346 4.306 1.040 1
1 151 . 10 1 1 A 17 17 GLY HA3 H 17 4.211 4.393 -0.182 1
1 152 . 10 1 1 A 17 17 GLY CA C 17 43.759 44.623 -0.864 1
1 153 . 10 1 1 A 17 17 GLY N N 17 114.627 114.519 0.108 1
1 154 . 10 1 1 A 18 18 ALA H H 18 7.733 8.488 -0.755 1
1 155 . 10 1 1 A 18 18 ALA HA H 18 5.244 4.854 0.390 1
1 159 . 10 1 1 A 18 18 ALA CA C 18 51.532 51.681 -0.149 1
1 160 . 10 1 1 A 18 18 ALA CB C 18 22.204 18.959 3.245 1
1 161 . 10 1 1 A 18 18 ALA N N 18 119.712 122.631 -2.919 1
1 162 . 10 1 1 A 19 19 ARG H H 19 8.363 8.811 -0.448 1
1 163 . 10 1 1 A 19 19 ARG HA H 19 4.632 4.632 0.000 1
1 166 . 10 1 1 A 19 19 ARG CA C 19 54.915 56.207 -1.292 1
1 167 . 10 1 1 A 19 19 ARG CB C 19 31.971 30.678 1.293 1
1 168 . 10 1 1 A 19 19 ARG N N 19 122.423 123.419 -0.996 1
1 169 . 10 1 1 A 20 20 LEU H H 20 9.540 8.405 1.135 1
1 170 . 10 1 1 A 20 20 LEU HA H 20 4.703 4.793 -0.090 1
1 179 . 10 1 1 A 20 20 LEU CA C 20 54.103 54.010 0.093 1
1 180 . 10 1 1 A 20 20 LEU CB C 20 42.688 43.140 -0.452 1
1 183 . 10 1 1 A 20 20 LEU N N 20 130.686 127.800 2.886 1
1 184 . 10 1 1 A 21 21 VAL H H 21 8.352 8.878 -0.526 1
1 185 . 10 1 1 A 21 21 VAL HA H 21 4.346 4.834 -0.488 1
1 193 . 10 1 1 A 21 21 VAL CA C 21 61.817 60.147 1.670 1
1 194 . 10 1 1 A 21 21 VAL CB C 21 33.976 33.551 0.425 1
1 197 . 10 1 1 A 21 21 VAL N N 21 120.930 120.031 0.899 1
1 198 . 10 1 1 A 22 22 GLN H H 22 8.319 8.428 -0.109 1
1 199 . 10 1 1 A 22 22 GLN HA H 22 4.646 4.377 0.269 1
1 204 . 10 1 1 A 22 22 GLN CA C 22 54.818 55.848 -1.030 1
1 205 . 10 1 1 A 22 22 GLN CB C 22 29.251 28.883 0.368 1
1 206 . 10 1 1 A 22 22 GLN N N 22 127.936 123.546 4.390 1
1 207 . 10 1 1 A 23 23 GLU H H 23 8.667 8.676 -0.009 1
1 208 . 10 1 1 A 23 23 GLU HA H 23 4.370 4.508 -0.138 1
1 211 . 10 1 1 A 23 23 GLU CA C 23 54.495 55.619 -1.124 1
1 212 . 10 1 1 A 23 23 GLU CB C 23 30.618 31.643 -1.025 1
1 213 . 10 1 1 A 23 23 GLU N N 23 129.097 123.578 5.519 1
1 214 . 10 1 1 A 24 24 GLY H H 24 8.949 8.984 -0.035 1
1 215 . 10 1 1 A 24 24 GLY HA2 H 24 3.879 3.910 -0.031 1
1 216 . 10 1 1 A 24 24 GLY HA3 H 24 3.543 3.940 -0.397 1
1 217 . 10 1 1 A 24 24 GLY CA C 24 46.645 45.130 1.515 1
1 218 . 10 1 1 A 24 24 GLY N N 24 117.894 116.959 0.935 1
1 219 . 10 1 1 A 25 25 ASN H H 25 8.747 8.827 -0.080 1
1 220 . 10 1 1 A 25 25 ASN HA H 25 4.700 4.814 -0.114 1
1 223 . 10 1 1 A 25 25 ASN CA C 25 52.331 53.332 -1.001 1
1 224 . 10 1 1 A 25 25 ASN CB C 25 37.827 39.003 -1.176 1
1 225 . 10 1 1 A 25 25 ASN N N 25 124.981 122.366 2.615 1
1 226 . 10 1 1 A 26 26 GLN H H 26 7.811 7.815 -0.004 1
1 227 . 10 1 1 A 26 26 GLN HA H 26 4.498 4.837 -0.339 1
1 232 . 10 1 1 A 26 26 GLN CA C 26 53.969 54.489 -0.520 1
1 233 . 10 1 1 A 26 26 GLN CB C 26 31.577 31.658 -0.081 1
1 235 . 10 1 1 A 26 26 GLN N N 26 117.634 118.258 -0.624 1
1 236 . 10 1 1 A 27 27 LEU H H 27 9.306 8.809 0.497 1
1 237 . 10 1 1 A 27 27 LEU HA H 27 4.973 4.922 0.051 1
1 246 . 10 1 1 A 27 27 LEU CA C 27 52.106 53.957 -1.851 1
1 247 . 10 1 1 A 27 27 LEU CB C 27 44.645 42.706 1.939 1
1 250 . 10 1 1 A 27 27 LEU N N 27 121.896 124.482 -2.586 1
1 251 . 10 1 1 A 28 28 HIS H H 28 8.998 8.781 0.217 1
1 252 . 10 1 1 A 28 28 HIS HA H 28 4.860 4.980 -0.120 1
1 255 . 10 1 1 A 28 28 HIS CA C 28 53.461 54.938 -1.477 1
1 256 . 10 1 1 A 28 28 HIS CB C 28 30.884 30.211 0.673 1
1 257 . 10 1 1 A 28 28 HIS N N 28 119.141 123.939 -4.798 1
1 258 . 10 1 1 A 29 29 TYR H H 29 8.811 8.954 -0.143 1
1 259 . 10 1 1 A 29 29 TYR HA H 29 4.571 4.896 -0.325 1
1 266 . 10 1 1 A 29 29 TYR CA C 29 56.308 56.774 -0.466 1
1 267 . 10 1 1 A 29 29 TYR CB C 29 38.935 39.909 -0.974 1
1 272 . 10 1 1 A 29 29 TYR N N 29 124.729 125.390 -0.661 1
1 273 . 10 1 1 A 30 30 LEU H H 30 8.677 8.601 0.076 1
1 274 . 10 1 1 A 30 30 LEU HA H 30 4.275 4.234 0.041 1
1 283 . 10 1 1 A 30 30 LEU CA C 30 52.463 54.158 -1.695 1
1 284 . 10 1 1 A 30 30 LEU CB C 30 42.668 41.939 0.729 1
1 287 . 10 1 1 A 30 30 LEU N N 30 131.620 129.194 2.426 1
1 288 . 10 1 1 A 31 31 ALA H H 31 8.503 8.783 -0.280 1
1 289 . 10 1 1 A 31 31 ALA HA H 31 3.606 3.838 -0.232 1
1 293 . 10 1 1 A 31 31 ALA CA C 31 54.068 54.011 0.057 1
1 294 . 10 1 1 A 31 31 ALA CB C 31 17.576 18.532 -0.956 1
1 295 . 10 1 1 A 31 31 ALA N N 31 128.548 125.859 2.689 1
1 296 . 10 1 1 A 32 32 ASP H H 32 8.102 8.230 -0.128 1
1 297 . 10 1 1 A 32 32 ASP HA H 32 4.531 4.445 0.086 1
1 300 . 10 1 1 A 32 32 ASP CA C 32 53.266 56.208 -2.942 1
1 301 . 10 1 1 A 32 32 ASP CB C 32 38.572 40.317 -1.745 1
1 302 . 10 1 1 A 32 32 ASP N N 32 111.569 117.743 -6.174 1
1 303 . 10 1 1 A 33 33 ARG H H 33 7.346 7.576 -0.230 1
1 304 . 10 1 1 A 33 33 ARG HA H 33 2.688 4.008 -1.320 1
1 309 . 10 1 1 A 33 33 ARG CA C 33 51.257 55.218 -3.961 1
1 310 . 10 1 1 A 33 33 ARG CB C 33 28.426 30.503 -2.077 1
1 311 . 10 1 1 A 33 33 ARG N N 33 122.483 116.631 5.852 1
1 312 . 10 1 1 A 34 34 ALA H H 34 6.661 7.195 -0.534 1
1 313 . 10 1 1 A 34 34 ALA HA H 34 5.275 4.950 0.325 1
1 317 . 10 1 1 A 34 34 ALA CA C 34 50.673 51.648 -0.975 1
1 318 . 10 1 1 A 34 34 ALA CB C 34 23.479 22.593 0.886 1
1 319 . 10 1 1 A 34 34 ALA N N 34 120.854 121.242 -0.388 1
1 320 . 10 1 1 A 35 35 SER H H 35 9.494 9.255 0.239 1
1 321 . 10 1 1 A 35 35 SER HA H 35 4.962 4.894 0.068 1
1 324 . 10 1 1 A 35 35 SER CA C 35 57.438 58.390 -0.952 1
1 325 . 10 1 1 A 35 35 SER CB C 35 66.260 64.671 1.589 1
1 326 . 10 1 1 A 35 35 SER N N 35 114.094 120.343 -6.249 1
1 327 . 10 1 1 A 36 36 ILE H H 36 8.989 8.520 0.469 1
1 328 . 10 1 1 A 36 36 ILE HA H 36 5.199 4.988 0.211 1
1 338 . 10 1 1 A 36 36 ILE CA C 36 59.982 59.530 0.452 1
1 339 . 10 1 1 A 36 36 ILE CB C 36 39.235 39.755 -0.520 1
1 343 . 10 1 1 A 36 36 ILE N N 36 125.993 118.712 7.281 1
1 344 . 10 1 1 A 37 37 THR H H 37 9.107 8.711 0.396 1
1 345 . 10 1 1 A 37 37 THR HA H 37 4.478 4.950 -0.472 1
1 350 . 10 1 1 A 37 37 THR CA C 37 62.063 59.906 2.157 1
1 351 . 10 1 1 A 37 37 THR CB C 37 69.419 71.739 -2.320 1
1 352 . 10 1 1 A 37 37 THR N N 37 126.763 114.280 12.483 1
1 353 . 10 1 1 A 38 38 GLY H H 38 8.546 8.679 -0.133 1
1 354 . 10 1 1 A 38 38 GLY HA2 H 38 3.556 3.603 -0.047 1
1 355 . 10 1 1 A 38 38 GLY HA3 H 38 3.968 3.768 0.200 1
1 356 . 10 1 1 A 38 38 GLY CA C 38 43.487 46.195 -2.708 1
1 357 . 10 1 1 A 38 38 GLY N N 38 113.541 112.150 1.391 1
1 358 . 10 1 1 A 39 39 LYS H H 39 8.131 8.069 0.062 1
1 359 . 10 1 1 A 39 39 LYS HA H 39 4.511 4.239 0.272 1
1 366 . 10 1 1 A 39 39 LYS CA C 39 54.562 55.870 -1.308 1
1 367 . 10 1 1 A 39 39 LYS CB C 39 34.646 32.021 2.625 1
1 370 . 10 1 1 A 39 39 LYS N N 39 119.477 121.886 -2.409 1
1 371 . 10 1 1 A 40 40 PHE H H 40 8.739 8.648 0.091 1
1 372 . 10 1 1 A 40 40 PHE HA H 40 4.482 4.648 -0.166 1
1 380 . 10 1 1 A 40 40 PHE CA C 40 58.592 59.039 -0.447 1
1 381 . 10 1 1 A 40 40 PHE CB C 40 39.593 39.711 -0.118 1
1 387 . 10 1 1 A 40 40 PHE N N 40 125.875 126.246 -0.371 1
1 388 . 10 1 1 A 41 41 SER H H 41 9.825 8.620 1.205 1
1 389 . 10 1 1 A 41 41 SER HA H 41 4.484 4.667 -0.183 1
1 392 . 10 1 1 A 41 41 SER CA C 41 57.383 58.100 -0.717 1
1 393 . 10 1 1 A 41 41 SER CB C 41 64.570 63.912 0.658 1
1 394 . 10 1 1 A 41 41 SER N N 41 120.297 117.801 2.496 1
1 395 . 10 1 1 A 42 42 ASP H H 42 8.944 9.033 -0.089 1
1 396 . 10 1 1 A 42 42 ASP HA H 42 4.493 4.288 0.205 1
1 399 . 10 1 1 A 42 42 ASP CA C 42 57.068 56.820 0.248 1
1 400 . 10 1 1 A 42 42 ASP CB C 42 39.471 40.396 -0.925 1
1 401 . 10 1 1 A 42 42 ASP N N 42 121.339 126.698 -5.359 1
1 402 . 10 1 1 A 43 43 ALA H H 43 8.071 7.754 0.317 1
1 403 . 10 1 1 A 43 43 ALA HA H 43 4.254 4.230 0.024 1
1 407 . 10 1 1 A 43 43 ALA CA C 43 53.245 53.415 -0.170 1
1 408 . 10 1 1 A 43 43 ALA CB C 43 18.716 19.050 -0.334 1
1 409 . 10 1 1 A 43 43 ALA N N 43 119.592 121.008 -1.416 1
1 410 . 10 1 1 A 44 44 GLU H H 44 7.860 7.913 -0.053 1
1 411 . 10 1 1 A 44 44 GLU HA H 44 4.164 4.392 -0.228 1
1 414 . 10 1 1 A 44 44 GLU CA C 44 57.748 57.825 -0.077 1
1 415 . 10 1 1 A 44 44 GLU CB C 44 30.832 30.310 0.522 1
1 416 . 10 1 1 A 44 44 GLU N N 44 117.391 116.216 1.175 1
1 417 . 10 1 1 A 45 45 CYS H H 45 8.212 8.671 -0.459 1
1 418 . 10 1 1 A 45 45 CYS HA H 45 4.010 4.074 -0.064 1
1 421 . 10 1 1 A 45 45 CYS CA C 45 65.262 63.521 1.741 1
1 422 . 10 1 1 A 45 45 CYS CB C 45 24.356 26.094 -1.738 1
1 423 . 10 1 1 A 45 45 CYS N N 45 117.475 119.892 -2.417 1
1 424 . 10 1 1 A 46 46 PRO HA H 46 4.406 4.234 0.172 1
1 427 . 10 1 1 A 46 46 PRO CA C 46 64.575 66.198 -1.623 1
1 428 . 10 1 1 A 46 46 PRO CB C 46 30.339 30.761 -0.422 1
1 429 . 10 1 1 A 47 47 LYS H H 47 6.825 8.295 -1.470 1
1 430 . 10 1 1 A 47 47 LYS HA H 47 4.032 3.999 0.033 1
1 437 . 10 1 1 A 47 47 LYS CA C 47 57.897 59.029 -1.132 1
1 438 . 10 1 1 A 47 47 LYS CB C 47 32.303 32.268 0.035 1
1 440 . 10 1 1 A 47 47 LYS N N 47 116.096 118.124 -2.028 1
1 441 . 10 1 1 A 48 48 LEU H H 48 7.980 7.731 0.249 1
1 442 . 10 1 1 A 48 48 LEU HA H 48 3.252 4.023 -0.771 1
1 451 . 10 1 1 A 48 48 LEU CA C 48 57.086 56.786 0.300 1
1 452 . 10 1 1 A 48 48 LEU CB C 48 40.525 41.410 -0.885 1
1 455 . 10 1 1 A 48 48 LEU N N 48 122.611 119.509 3.102 1
1 456 . 10 1 1 A 49 49 ASP H H 49 7.219 7.982 -0.763 1
1 457 . 10 1 1 A 49 49 ASP HA H 49 4.221 4.271 -0.050 1
1 460 . 10 1 1 A 49 49 ASP CA C 49 56.273 57.670 -1.397 1
1 461 . 10 1 1 A 49 49 ASP CB C 49 40.150 40.947 -0.797 1
1 462 . 10 1 1 A 49 49 ASP N N 49 115.153 120.018 -4.865 1
1 463 . 10 1 1 A 50 50 VAL H H 50 7.057 7.834 -0.777 1
1 464 . 10 1 1 A 50 50 VAL HA H 50 3.921 3.893 0.028 1
1 472 . 10 1 1 A 50 50 VAL CA C 50 63.679 65.477 -1.798 1
1 473 . 10 1 1 A 50 50 VAL CB C 50 32.269 31.177 1.092 1
1 476 . 10 1 1 A 50 50 VAL N N 50 115.474 116.761 -1.287 1
1 477 . 10 1 1 A 51 51 VAL H H 51 8.071 7.721 0.350 1
1 478 . 10 1 1 A 51 51 VAL HA H 51 3.805 4.149 -0.344 1
1 486 . 10 1 1 A 51 51 VAL CA C 51 63.650 64.779 -1.129 1
1 487 . 10 1 1 A 51 51 VAL CB C 51 31.130 31.530 -0.400 1
1 490 . 10 1 1 A 51 51 VAL N N 51 116.526 122.315 -5.789 1
1 491 . 10 1 1 A 52 52 PHE H H 52 8.203 7.992 0.211 1
1 492 . 10 1 1 A 52 52 PHE HA H 52 4.382 4.386 -0.004 1
1 497 . 10 1 1 A 52 52 PHE CA C 52 63.038 61.842 1.196 1
1 498 . 10 1 1 A 52 52 PHE CB C 52 36.263 37.091 -0.828 1
1 501 . 10 1 1 A 52 52 PHE N N 52 121.336 121.210 0.126 1
1 502 . 10 1 1 A 53 53 PRO HA H 53 3.930 4.283 -0.353 1
1 507 . 10 1 1 A 53 53 PRO CA C 53 65.098 65.740 -0.642 1
1 508 . 10 1 1 A 53 53 PRO CB C 53 30.053 30.868 -0.815 1
1 509 . 10 1 1 A 54 54 HIS H H 54 6.741 8.031 -1.290 1
1 510 . 10 1 1 A 54 54 HIS HA H 54 4.041 4.617 -0.576 1
1 513 . 10 1 1 A 54 54 HIS CA C 54 59.100 56.563 2.537 1
1 514 . 10 1 1 A 54 54 HIS CB C 54 28.478 28.988 -0.510 1
1 515 . 10 1 1 A 54 54 HIS N N 54 116.851 115.567 1.284 1
1 516 . 10 1 1 A 55 55 PHE H H 55 7.902 8.037 -0.135 1
1 517 . 10 1 1 A 55 55 PHE HA H 55 4.230 4.521 -0.291 1
1 522 . 10 1 1 A 55 55 PHE CA C 55 59.471 59.514 -0.043 1
1 523 . 10 1 1 A 55 55 PHE CB C 55 37.210 41.301 -4.091 1
1 526 . 10 1 1 A 55 55 PHE N N 55 118.222 119.273 -1.051 1
1 527 . 10 1 1 A 56 56 ILE H H 56 7.812 7.401 0.411 1
1 528 . 10 1 1 A 56 56 ILE HA H 56 3.176 3.456 -0.280 1
1 538 . 10 1 1 A 56 56 ILE CA C 56 64.446 63.777 0.669 1
1 539 . 10 1 1 A 56 56 ILE CB C 56 35.405 36.198 -0.793 1
1 542 . 10 1 1 A 56 56 ILE N N 56 117.686 119.767 -2.081 1
1 543 . 10 1 1 A 57 57 SER H H 57 7.660 7.581 0.079 1
1 544 . 10 1 1 A 57 57 SER HA H 57 4.230 3.949 0.281 1
1 547 . 10 1 1 A 57 57 SER CA C 57 60.942 61.861 -0.919 1
1 548 . 10 1 1 A 57 57 SER CB C 57 62.062 62.784 -0.722 1
1 549 . 10 1 1 A 57 57 SER N N 57 113.709 116.519 -2.810 1
1 550 . 10 1 1 A 58 58 GLN H H 58 7.830 7.888 -0.058 1
1 551 . 10 1 1 A 58 58 GLN HA H 58 3.934 3.958 -0.024 1
1 554 . 10 1 1 A 58 58 GLN CA C 58 58.232 58.770 -0.538 1
1 555 . 10 1 1 A 58 58 GLN CB C 58 28.502 28.079 0.423 1
1 556 . 10 1 1 A 58 58 GLN N N 58 121.550 120.863 0.687 1
1 557 . 10 1 1 A 59 59 ILE H H 59 8.482 7.393 1.089 1
1 558 . 10 1 1 A 59 59 ILE HA H 59 3.434 3.426 0.008 1
1 568 . 10 1 1 A 59 59 ILE CA C 59 65.096 65.400 -0.304 1
1 569 . 10 1 1 A 59 59 ILE CB C 59 36.901 37.486 -0.585 1
1 572 . 10 1 1 A 59 59 ILE N N 59 121.796 120.060 1.736 1
1 573 . 10 1 1 A 60 60 GLU H H 60 8.450 8.319 0.131 1
1 574 . 10 1 1 A 60 60 GLU HA H 60 3.705 3.910 -0.205 1
1 579 . 10 1 1 A 60 60 GLU CA C 60 59.896 59.843 0.053 1
1 580 . 10 1 1 A 60 60 GLU CB C 60 29.133 29.579 -0.446 1
1 581 . 10 1 1 A 60 60 GLU N N 60 119.765 121.225 -1.460 1
1 582 . 10 1 1 A 61 61 SER H H 61 7.815 7.666 0.149 1
1 583 . 10 1 1 A 61 61 SER HA H 61 4.226 4.172 0.054 1
1 586 . 10 1 1 A 61 61 SER CA C 61 61.382 61.553 -0.171 1
1 587 . 10 1 1 A 61 61 SER N N 61 114.979 114.257 0.722 1
1 588 . 10 1 1 A 62 62 MET H H 62 7.878 8.415 -0.537 1
1 589 . 10 1 1 A 62 62 MET HA H 62 4.390 3.941 0.449 1
1 595 . 10 1 1 A 62 62 MET CA C 62 58.334 58.454 -0.120 1
1 596 . 10 1 1 A 62 62 MET CB C 62 33.326 32.214 1.112 1
1 597 . 10 1 1 A 62 62 MET N N 62 120.947 120.808 0.139 1
1 598 . 10 1 1 A 63 63 LEU H H 63 8.179 7.992 0.187 1
1 599 . 10 1 1 A 63 63 LEU HA H 63 4.333 3.980 0.353 1
1 609 . 10 1 1 A 63 63 LEU CA C 63 56.920 57.887 -0.967 1
1 610 . 10 1 1 A 63 63 LEU CB C 63 40.871 41.639 -0.768 1
1 613 . 10 1 1 A 63 63 LEU N N 63 121.156 119.820 1.336 1
1 614 . 10 1 1 A 64 64 THR H H 64 7.913 7.939 -0.026 1
1 615 . 10 1 1 A 64 64 THR HA H 64 3.980 3.904 0.076 1
1 620 . 10 1 1 A 64 64 THR CA C 64 65.633 66.536 -0.903 1
1 621 . 10 1 1 A 64 64 THR CB C 64 68.205 68.640 -0.435 1
1 622 . 10 1 1 A 64 64 THR N N 64 116.077 115.869 0.208 1
1 623 . 10 1 1 A 65 65 THR H H 65 8.138 8.444 -0.306 1
1 624 . 10 1 1 A 65 65 THR HA H 65 4.224 3.953 0.271 1
1 629 . 10 1 1 A 65 65 THR CA C 65 62.390 65.400 -3.010 1
1 630 . 10 1 1 A 65 65 THR CB C 65 69.153 69.062 0.091 1
1 632 . 10 1 1 A 65 65 THR N N 65 110.012 113.800 -3.788 1
1 633 . 10 1 1 A 66 66 GLY H H 66 7.529 8.328 -0.799 1
1 634 . 10 1 1 A 66 66 GLY HA2 H 66 4.300 3.945 0.355 1
1 635 . 10 1 1 A 66 66 GLY HA3 H 66 3.771 3.950 -0.179 1
1 636 . 10 1 1 A 66 66 GLY CA C 66 44.829 46.883 -2.054 1
1 637 . 10 1 1 A 66 66 GLY N N 66 108.759 107.579 1.180 1
1 638 . 10 1 1 A 67 67 GLU H H 67 8.480 8.341 0.139 1
1 639 . 10 1 1 A 67 67 GLU HA H 67 3.920 4.381 -0.461 1
1 644 . 10 1 1 A 67 67 GLU CA C 67 59.013 56.229 2.784 1
1 645 . 10 1 1 A 67 67 GLU CB C 67 30.042 29.014 1.028 1
1 647 . 10 1 1 A 67 67 GLU N N 67 123.262 123.444 -0.182 1
1 648 . 10 1 1 A 68 68 LEU H H 68 7.137 8.815 -1.678 1
1 649 . 10 1 1 A 68 68 LEU HA H 68 4.545 4.823 -0.278 1
1 659 . 10 1 1 A 68 68 LEU CA C 68 52.955 54.793 -1.838 1
1 660 . 10 1 1 A 68 68 LEU CB C 68 45.377 43.097 2.280 1
1 663 . 10 1 1 A 68 68 LEU N N 68 115.782 127.351 -11.569 1
1 664 . 10 1 1 A 69 69 ASN H H 69 9.102 8.858 0.244 1
1 665 . 10 1 1 A 69 69 ASN HA H 69 5.125 5.186 -0.061 1
1 668 . 10 1 1 A 69 69 ASN CA C 69 49.347 49.540 -0.193 1
1 669 . 10 1 1 A 69 69 ASN CB C 69 41.313 40.428 0.885 1
1 670 . 10 1 1 A 69 69 ASN N N 69 121.546 124.186 -2.640 1
1 671 . 10 1 1 A 70 70 PRO HA H 70 4.479 4.415 0.064 1
1 678 . 10 1 1 A 70 70 PRO CA C 70 64.544 62.837 1.707 1
1 679 . 10 1 1 A 70 70 PRO CB C 70 33.813 30.273 3.540 1
1 681 . 10 1 1 A 71 71 ARG H H 71 7.981 8.849 -0.868 1
1 682 . 10 1 1 A 71 71 ARG HA H 71 4.225 4.551 -0.326 1
1 689 . 10 1 1 A 71 71 ARG CA C 71 55.319 57.383 -2.064 1
1 690 . 10 1 1 A 71 71 ARG CB C 71 30.545 33.374 -2.829 1
1 693 . 10 1 1 A 71 71 ARG N N 71 109.539 124.554 -15.015 1
1 694 . 10 1 1 A 72 72 HIS H H 72 7.702 7.966 -0.264 1
1 695 . 10 1 1 A 72 72 HIS HA H 72 4.780 4.890 -0.110 1
1 698 . 10 1 1 A 72 72 HIS CA C 72 53.769 54.857 -1.088 1
1 699 . 10 1 1 A 72 72 HIS CB C 72 32.267 31.585 0.682 1
1 700 . 10 1 1 A 72 72 HIS N N 72 118.028 112.332 5.696 1
1 701 . 10 1 1 A 73 73 ALA H H 73 8.586 8.412 0.174 1
1 702 . 10 1 1 A 73 73 ALA HA H 73 4.130 4.187 -0.057 1
1 706 . 10 1 1 A 73 73 ALA CA C 73 52.426 52.793 -0.367 1
1 707 . 10 1 1 A 73 73 ALA CB C 73 17.699 19.212 -1.513 1
1 708 . 10 1 1 A 73 73 ALA N N 73 127.706 122.938 4.768 1
1 709 . 10 1 1 A 74 74 GLN H H 74 9.530 8.431 1.099 1
1 710 . 10 1 1 A 74 74 GLN HA H 74 4.089 4.668 -0.579 1
1 715 . 10 1 1 A 74 74 GLN CA C 74 57.063 55.281 1.782 1
1 716 . 10 1 1 A 74 74 GLN CB C 74 29.296 32.780 -3.484 1
1 717 . 10 1 1 A 74 74 GLN N N 74 125.174 120.314 4.860 1
1 718 . 10 1 1 A 75 75 CYS H H 75 8.611 8.895 -0.284 1
1 719 . 10 1 1 A 75 75 CYS HA H 75 5.175 5.395 -0.220 1
1 722 . 10 1 1 A 75 75 CYS CA C 75 57.365 57.353 0.012 1
1 723 . 10 1 1 A 75 75 CYS CB C 75 27.393 31.003 -3.610 1
1 724 . 10 1 1 A 75 75 CYS N N 75 127.825 124.174 3.651 1
1 725 . 10 1 1 A 76 76 VAL H H 76 9.430 8.305 1.125 1
1 726 . 10 1 1 A 76 76 VAL HA H 76 4.672 4.776 -0.104 1
1 734 . 10 1 1 A 76 76 VAL CA C 76 59.670 60.039 -0.369 1
1 735 . 10 1 1 A 76 76 VAL CB C 76 33.946 35.680 -1.734 1
1 738 . 10 1 1 A 76 76 VAL N N 76 127.195 122.394 4.801 1
1 739 . 10 1 1 A 77 77 THR H H 77 8.203 9.112 -0.909 1
1 740 . 10 1 1 A 77 77 THR HA H 77 4.890 5.391 -0.501 1
1 745 . 10 1 1 A 77 77 THR CA C 77 61.623 60.842 0.781 1
1 746 . 10 1 1 A 77 77 THR CB C 77 69.561 70.771 -1.210 1
1 747 . 10 1 1 A 77 77 THR N N 77 117.773 119.560 -1.787 1
1 748 . 10 1 1 A 78 78 LEU H H 78 9.220 9.197 0.023 1
1 749 . 10 1 1 A 78 78 LEU HA H 78 4.597 5.189 -0.592 1
1 758 . 10 1 1 A 78 78 LEU CA C 78 52.667 54.046 -1.379 1
1 759 . 10 1 1 A 78 78 LEU CB C 78 45.023 43.670 1.353 1
1 762 . 10 1 1 A 78 78 LEU N N 78 127.846 127.635 0.211 1
1 763 . 10 1 1 A 79 79 TYR H H 79 8.739 8.669 0.070 1
1 764 . 10 1 1 A 79 79 TYR HA H 79 5.680 6.074 -0.394 1
1 771 . 10 1 1 A 79 79 TYR CA C 79 55.963 55.629 0.334 1
1 772 . 10 1 1 A 79 79 TYR CB C 79 41.396 41.495 -0.099 1
1 777 . 10 1 1 A 79 79 TYR N N 79 117.451 122.063 -4.612 1
1 778 . 10 1 1 A 80 80 HIS H H 80 9.324 8.644 0.680 1
1 779 . 10 1 1 A 80 80 HIS HA H 80 4.545 4.910 -0.365 1
1 782 . 10 1 1 A 80 80 HIS CA C 80 57.781 54.877 2.904 1
1 783 . 10 1 1 A 80 80 HIS CB C 80 32.894 31.852 1.042 1
1 784 . 10 1 1 A 80 80 HIS N N 80 121.592 117.558 4.034 1
1 785 . 10 1 1 A 81 81 ASN H H 81 8.619 9.282 -0.663 1
1 786 . 10 1 1 A 81 81 ASN HA H 81 4.091 4.407 -0.316 1
1 789 . 10 1 1 A 81 81 ASN CA C 81 52.908 53.937 -1.029 1
1 790 . 10 1 1 A 81 81 ASN CB C 81 37.384 36.229 1.155 1
1 791 . 10 1 1 A 81 81 ASN N N 81 125.264 120.214 5.050 1
1 792 . 10 1 1 A 82 82 GLY H H 82 8.336 8.415 -0.079 1
1 793 . 10 1 1 A 82 82 GLY HA2 H 82 4.096 3.907 0.189 1
1 794 . 10 1 1 A 82 82 GLY HA3 H 82 3.595 3.924 -0.329 1
1 795 . 10 1 1 A 82 82 GLY CA C 82 45.132 45.392 -0.260 1
1 796 . 10 1 1 A 82 82 GLY N N 82 102.719 108.635 -5.916 1
1 797 . 10 1 1 A 83 83 PHE H H 83 8.498 7.818 0.680 1
1 798 . 10 1 1 A 83 83 PHE HA H 83 5.049 4.459 0.590 1
1 803 . 10 1 1 A 83 83 PHE CA C 83 57.244 58.172 -0.928 1
1 804 . 10 1 1 A 83 83 PHE CB C 83 42.331 39.614 2.717 1
1 807 . 10 1 1 A 83 83 PHE N N 83 120.461 119.258 1.203 1
1 808 . 10 1 1 A 84 84 THR H H 84 9.387 8.615 0.772 1
1 809 . 10 1 1 A 84 84 THR HA H 84 4.771 5.347 -0.576 1
1 814 . 10 1 1 A 84 84 THR CA C 84 60.323 61.623 -1.300 1
1 815 . 10 1 1 A 84 84 THR CB C 84 71.263 71.232 0.031 1
1 816 . 10 1 1 A 84 84 THR N N 84 118.901 114.775 4.126 1
1 817 . 10 1 1 A 85 85 CYS H H 85 8.691 8.837 -0.146 1
1 818 . 10 1 1 A 85 85 CYS HA H 85 5.010 5.104 -0.094 1
1 821 . 10 1 1 A 85 85 CYS CA C 85 54.594 57.729 -3.135 1
1 822 . 10 1 1 A 85 85 CYS CB C 85 26.847 28.874 -2.027 1
1 823 . 10 1 1 A 85 85 CYS N N 85 124.244 125.988 -1.744 1
1 824 . 10 1 1 A 86 86 GLU H H 86 9.051 8.436 0.615 1
1 825 . 10 1 1 A 86 86 GLU HA H 86 5.304 5.055 0.249 1
1 830 . 10 1 1 A 86 86 GLU CA C 86 54.424 55.550 -1.126 1
1 831 . 10 1 1 A 86 86 GLU CB C 86 34.037 31.988 2.049 1
1 832 . 10 1 1 A 86 86 GLU N N 86 128.372 123.410 4.962 1
1 833 . 10 1 1 A 87 87 ALA H H 87 8.758 8.805 -0.047 1
1 834 . 10 1 1 A 87 87 ALA HA H 87 5.520 5.273 0.247 1
1 838 . 10 1 1 A 87 87 ALA CA C 87 49.578 50.911 -1.333 1
1 839 . 10 1 1 A 87 87 ALA N N 87 122.903 123.613 -0.710 1
1 840 . 10 1 1 A 88 88 ASP H H 88 8.849 8.573 0.276 1
1 841 . 10 1 1 A 88 88 ASP HA H 88 5.146 5.158 -0.012 1
1 844 . 10 1 1 A 88 88 ASP CA C 88 53.299 54.121 -0.822 1
1 845 . 10 1 1 A 88 88 ASP CB C 88 46.981 44.646 2.335 1
1 846 . 10 1 1 A 88 88 ASP N N 88 119.653 120.131 -0.478 1
1 847 . 10 1 1 A 89 89 THR H H 89 9.780 8.895 0.885 1
1 848 . 10 1 1 A 89 89 THR HA H 89 4.940 4.087 0.853 1
1 853 . 10 1 1 A 89 89 THR CA C 89 63.221 66.819 -3.598 1
1 854 . 10 1 1 A 89 89 THR CB C 89 69.269 69.168 0.101 1
1 856 . 10 1 1 A 89 89 THR N N 89 120.857 120.540 0.317 1
1 857 . 10 1 1 A 90 90 LEU H H 90 10.670 7.990 2.680 1
1 858 . 10 1 1 A 90 90 LEU HA H 90 3.619 3.973 -0.354 1
1 868 . 10 1 1 A 90 90 LEU CA C 90 55.620 56.362 -0.742 1
1 869 . 10 1 1 A 90 90 LEU CB C 90 38.653 40.404 -1.751 1
1 873 . 10 1 1 A 90 90 LEU N N 90 121.028 119.596 1.432 1
1 874 . 10 1 1 A 91 91 GLY H H 91 8.606 8.692 -0.086 1
1 875 . 10 1 1 A 91 91 GLY HA2 H 91 3.500 3.904 -0.404 1
1 876 . 10 1 1 A 91 91 GLY HA3 H 91 3.680 3.906 -0.226 1
1 877 . 10 1 1 A 91 91 GLY CA C 91 46.299 46.030 0.269 1
1 878 . 10 1 1 A 91 91 GLY N N 91 107.743 105.035 2.708 1
1 879 . 10 1 1 A 92 92 SER H H 92 8.126 8.083 0.043 1
1 880 . 10 1 1 A 92 92 SER HA H 92 4.078 4.696 -0.618 1
1 883 . 10 1 1 A 92 92 SER CA C 92 59.779 56.729 3.050 1
1 884 . 10 1 1 A 92 92 SER CB C 92 65.161 62.467 2.694 1
1 885 . 10 1 1 A 92 92 SER N N 92 112.753 115.721 -2.968 1
1 886 . 10 1 1 A 93 93 CYS H H 93 9.001 8.143 0.858 1
1 887 . 10 1 1 A 93 93 CYS HA H 93 3.617 4.178 -0.561 1
1 890 . 10 1 1 A 93 93 CYS CA C 93 59.953 61.522 -1.569 1
1 891 . 10 1 1 A 93 93 CYS CB C 93 25.176 27.348 -2.172 1
1 892 . 10 1 1 A 93 93 CYS N N 93 119.159 125.237 -6.078 1
1 893 . 10 1 1 A 94 94 GLY H H 94 8.795 8.275 0.520 1
1 894 . 10 1 1 A 94 94 GLY HA2 H 94 4.063 3.699 0.364 1
1 895 . 10 1 1 A 94 94 GLY HA3 H 94 3.503 3.731 -0.228 1
1 896 . 10 1 1 A 94 94 GLY CA C 94 46.150 45.900 0.250 1
1 897 . 10 1 1 A 94 94 GLY N N 94 105.924 109.182 -3.258 1
1 898 . 10 1 1 A 95 95 TYR H H 95 8.144 7.951 0.193 1
1 899 . 10 1 1 A 95 95 TYR HA H 95 5.743 4.931 0.812 1
1 906 . 10 1 1 A 95 95 TYR CA C 95 54.818 56.350 -1.532 1
1 907 . 10 1 1 A 95 95 TYR CB C 95 41.503 42.271 -0.768 1
1 912 . 10 1 1 A 95 95 TYR N N 95 118.757 118.589 0.168 1
1 913 . 10 1 1 A 96 96 VAL H H 96 8.280 8.736 -0.456 1
1 914 . 10 1 1 A 96 96 VAL HA H 96 4.082 4.556 -0.474 1
1 922 . 10 1 1 A 96 96 VAL CA C 96 62.593 61.553 1.040 1
1 923 . 10 1 1 A 96 96 VAL CB C 96 34.676 32.851 1.825 1
1 926 . 10 1 1 A 96 96 VAL N N 96 117.579 124.058 -6.479 1
1 927 . 10 1 1 A 97 97 TYR H H 97 9.171 9.131 0.040 1
1 928 . 10 1 1 A 97 97 TYR HA H 97 4.987 5.156 -0.169 1
1 935 . 10 1 1 A 97 97 TYR CA C 97 57.046 57.408 -0.362 1
1 936 . 10 1 1 A 97 97 TYR CB C 97 39.334 39.949 -0.615 1
1 941 . 10 1 1 A 97 97 TYR N N 97 129.228 126.880 2.348 1
1 942 . 10 1 1 A 98 98 ILE H H 98 8.739 8.983 -0.244 1
1 943 . 10 1 1 A 98 98 ILE HA H 98 6.098 5.220 0.878 1
1 953 . 10 1 1 A 98 98 ILE CA C 98 57.878 59.444 -1.566 1
1 954 . 10 1 1 A 98 98 ILE CB C 98 43.028 42.697 0.331 1
1 958 . 10 1 1 A 98 98 ILE N N 98 112.588 118.667 -6.079 1
1 959 . 10 1 1 A 99 99 ALA H H 99 8.867 8.198 0.669 1
1 960 . 10 1 1 A 99 99 ALA HA H 99 5.507 5.256 0.251 1
1 964 . 10 1 1 A 99 99 ALA CA C 99 51.757 51.876 -0.119 1
1 965 . 10 1 1 A 99 99 ALA CB C 99 21.801 21.083 0.718 1
1 966 . 10 1 1 A 99 99 ALA N N 99 124.370 123.493 0.877 1
1 967 . 10 1 1 A 100 100 VAL H H 100 9.706 8.642 1.064 1
1 968 . 10 1 1 A 100 100 VAL HA H 100 5.238 4.755 0.483 1
1 976 . 10 1 1 A 100 100 VAL CA C 100 60.077 61.632 -1.555 1
1 977 . 10 1 1 A 100 100 VAL CB C 100 34.166 32.559 1.607 1
1 980 . 10 1 1 A 100 100 VAL N N 100 122.354 123.718 -1.364 1
1 981 . 10 1 1 A 101 101 TYR H H 101 8.833 8.671 0.162 1
1 982 . 10 1 1 A 101 101 TYR HA H 101 5.529 5.045 0.484 1
1 985 . 10 1 1 A 101 101 TYR CA C 101 54.118 56.311 -2.193 1
1 986 . 10 1 1 A 101 101 TYR CB C 101 37.597 42.675 -5.078 1
1 987 . 10 1 1 A 101 101 TYR N N 101 123.413 127.385 -3.972 1
1 988 . 10 1 1 A 102 102 PRO HA H 102 4.198 3.438 0.760 1
1 993 . 10 1 1 A 102 102 PRO CA C 102 61.976 62.116 -0.140 1
1 994 . 10 1 1 A 102 102 PRO CB C 102 31.325 31.989 -0.664 1
1 996 . 10 1 1 A 103 103 THR H H 103 8.740 7.435 1.305 1
1 997 . 10 1 1 A 103 103 THR HA H 103 3.983 4.460 -0.477 1
1 1002 . 10 1 1 A 103 103 THR CA C 103 64.447 60.353 4.094 1
1 1003 . 10 1 1 A 103 103 THR CB C 103 68.595 70.372 -1.777 1
1 1005 . 10 1 1 A 103 103 THR N N 103 122.463 112.501 9.962 1
1 1006 . 10 1 1 A 104 104 GLN H H 104 8.672 8.813 -0.141 1
1 1007 . 10 1 1 A 104 104 GLN HA H 104 4.309 4.082 0.227 1
1 1010 . 10 1 1 A 104 104 GLN CA C 104 54.989 58.048 -3.059 1
1 1011 . 10 1 1 A 104 104 GLN CB C 104 29.277 29.542 -0.265 1
1 1012 . 10 1 1 A 104 104 GLN N N 104 123.452 122.807 0.645 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 0 0.000 1
2 1 1 1 "RMS(OBS, PRED)" CA 101 1.528 1
3 1 1 1 "RMS(OBS, PRED)" CB 92 1.585 1
4 1 1 1 "RMS(OBS, PRED)" H 96 0.697 1
5 1 1 1 "RMS(OBS, PRED)" HA 110 0.372 1
6 1 1 1 "RMS(OBS, PRED)" N 96 4.137 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 101 1.536 1
9 1 2 1 "RMS(OBS, PRED)" CB 92 1.534 1
10 1 2 1 "RMS(OBS, PRED)" H 96 0.703 1
11 1 2 1 "RMS(OBS, PRED)" HA 110 0.406 1
12 1 2 1 "RMS(OBS, PRED)" N 96 4.254 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 101 1.520 1
15 1 3 1 "RMS(OBS, PRED)" CB 92 1.671 1
16 1 3 1 "RMS(OBS, PRED)" H 96 0.637 1
17 1 3 1 "RMS(OBS, PRED)" HA 110 0.349 1
18 1 3 1 "RMS(OBS, PRED)" N 96 3.939 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 101 1.548 1
21 1 4 1 "RMS(OBS, PRED)" CB 92 1.716 1
22 1 4 1 "RMS(OBS, PRED)" H 96 0.668 1
23 1 4 1 "RMS(OBS, PRED)" HA 110 0.405 1
24 1 4 1 "RMS(OBS, PRED)" N 96 3.924 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 101 1.520 1
27 1 5 1 "RMS(OBS, PRED)" CB 92 1.444 1
28 1 5 1 "RMS(OBS, PRED)" H 96 0.705 1
29 1 5 1 "RMS(OBS, PRED)" HA 110 0.380 1
30 1 5 1 "RMS(OBS, PRED)" N 96 3.702 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 101 1.503 1
33 1 6 1 "RMS(OBS, PRED)" CB 92 1.480 1
34 1 6 1 "RMS(OBS, PRED)" H 96 0.653 1
35 1 6 1 "RMS(OBS, PRED)" HA 110 0.346 1
36 1 6 1 "RMS(OBS, PRED)" N 96 4.079 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 101 1.491 1
39 1 7 1 "RMS(OBS, PRED)" CB 92 1.603 1
40 1 7 1 "RMS(OBS, PRED)" H 96 0.683 1
41 1 7 1 "RMS(OBS, PRED)" HA 110 0.397 1
42 1 7 1 "RMS(OBS, PRED)" N 96 4.002 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 101 1.504 1
45 1 8 1 "RMS(OBS, PRED)" CB 92 1.565 1
46 1 8 1 "RMS(OBS, PRED)" H 96 0.632 1
47 1 8 1 "RMS(OBS, PRED)" HA 110 0.421 1
48 1 8 1 "RMS(OBS, PRED)" N 96 3.660 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 101 1.593 1
51 1 9 1 "RMS(OBS, PRED)" CB 92 1.669 1
52 1 9 1 "RMS(OBS, PRED)" H 96 0.627 1
53 1 9 1 "RMS(OBS, PRED)" HA 110 0.387 1
54 1 9 1 "RMS(OBS, PRED)" N 96 3.650 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 101 1.575 1
57 1 10 1 "RMS(OBS, PRED)" CB 92 1.627 1
58 1 10 1 "RMS(OBS, PRED)" H 96 0.687 1
59 1 10 1 "RMS(OBS, PRED)" HA 110 0.384 1
60 1 10 1 "RMS(OBS, PRED)" N 96 4.138 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 3 3 ASN HA H 3 4.740 4.696 0.044 2
1 4 . 1 1 A 3 3 ASN CA C 3 52.719 54.339 -1.620 2
1 5 . 1 1 A 3 3 ASN CB C 3 38.344 38.727 -0.383 2
1 6 . 1 1 A 4 4 THR H H 4 8.142 8.084 0.059 2
1 7 . 1 1 A 4 4 THR HA H 4 4.059 4.403 -0.344 2
1 12 . 1 1 A 4 4 THR CA C 4 61.542 62.316 -0.774 2
1 13 . 1 1 A 4 4 THR CB C 4 69.257 69.637 -0.380 2
1 15 . 1 1 A 4 4 THR N N 4 116.100 115.325 0.775 2
1 16 . 1 1 A 5 5 THR H H 5 7.898 8.533 -0.635 2
1 17 . 1 1 A 5 5 THR HA H 5 4.167 4.736 -0.569 2
1 22 . 1 1 A 5 5 THR CA C 5 60.219 60.676 -0.457 2
1 23 . 1 1 A 5 5 THR CB C 5 69.457 71.142 -1.685 2
1 25 . 1 1 A 5 5 THR N N 5 117.796 119.808 -2.012 2
1 26 . 1 1 A 6 6 TRP H H 6 8.248 8.666 -0.418 2
1 27 . 1 1 A 6 6 TRP HA H 6 4.608 4.560 0.048 2
1 36 . 1 1 A 6 6 TRP CA C 6 55.971 58.307 -2.336 2
1 37 . 1 1 A 6 6 TRP CB C 6 32.251 29.983 2.268 2
1 43 . 1 1 A 6 6 TRP N N 6 123.584 126.601 -3.017 2
1 45 . 1 1 A 7 7 GLY H H 7 8.590 8.424 0.166 2
1 46 . 1 1 A 7 7 GLY HA2 H 7 4.668 4.201 0.467 2
1 47 . 1 1 A 7 7 GLY HA3 H 7 3.904 4.216 -0.312 2
1 48 . 1 1 A 7 7 GLY CA C 7 44.451 44.588 -0.137 2
1 49 . 1 1 A 7 7 GLY N N 7 103.966 109.648 -5.682 2
1 50 . 1 1 A 8 8 LEU H H 8 6.805 8.560 -1.755 2
1 51 . 1 1 A 8 8 LEU HA H 8 4.204 4.214 -0.010 2
1 60 . 1 1 A 8 8 LEU CA C 8 53.799 55.478 -1.679 2
1 61 . 1 1 A 8 8 LEU CB C 8 42.762 42.299 0.463 2
1 62 . 1 1 A 8 8 LEU N N 8 119.119 122.029 -2.910 2
1 63 . 1 1 A 9 9 GLN H H 9 9.078 8.503 0.575 2
1 64 . 1 1 A 9 9 GLN HA H 9 4.105 4.704 -0.599 2
1 69 . 1 1 A 9 9 GLN CA C 9 55.604 55.387 0.217 2
1 70 . 1 1 A 9 9 GLN CB C 9 26.867 29.382 -2.515 2
1 71 . 1 1 A 9 9 GLN N N 9 124.351 122.904 1.447 2
1 72 . 1 1 A 10 10 ARG H H 10 6.912 8.492 -1.580 2
1 73 . 1 1 A 10 10 ARG HA H 10 4.536 4.855 -0.319 2
1 80 . 1 1 A 10 10 ARG CA C 10 51.817 54.316 -2.499 2
1 81 . 1 1 A 10 10 ARG CB C 10 34.485 33.065 1.420 2
1 83 . 1 1 A 10 10 ARG N N 10 125.940 124.067 1.873 2
1 84 . 1 1 A 11 11 ASP H H 11 8.544 8.802 -0.258 2
1 85 . 1 1 A 11 11 ASP HA H 11 4.633 4.469 0.164 2
1 88 . 1 1 A 11 11 ASP CA C 11 52.853 56.388 -3.535 2
1 89 . 1 1 A 11 11 ASP CB C 11 39.641 40.797 -1.156 2
1 90 . 1 1 A 11 11 ASP N N 11 121.026 120.531 0.495 2
1 91 . 1 1 A 12 12 ILE H H 12 6.828 7.550 -0.722 2
1 92 . 1 1 A 12 12 ILE HA H 12 3.890 4.164 -0.274 2
1 102 . 1 1 A 12 12 ILE CA C 12 60.042 61.291 -1.249 2
1 103 . 1 1 A 12 12 ILE CB C 12 40.957 38.352 2.606 2
1 107 . 1 1 A 12 12 ILE N N 12 120.620 118.249 2.371 2
1 108 . 1 1 A 13 13 THR H H 13 7.910 8.734 -0.824 2
1 109 . 1 1 A 13 13 THR HA H 13 4.330 4.162 0.168 2
1 114 . 1 1 A 13 13 THR CB C 13 70.524 68.198 2.326 2
1 115 . 1 1 A 13 13 THR N N 13 118.106 118.957 -0.851 2
1 116 . 1 1 A 14 14 PRO HA H 14 4.884 4.556 0.328 2
1 122 . 1 1 A 14 14 PRO CA C 14 61.777 64.254 -2.477 2
1 123 . 1 1 A 14 14 PRO CB C 14 33.621 31.495 2.126 2
1 125 . 1 1 A 15 15 ARG H H 15 8.312 8.415 -0.103 2
1 126 . 1 1 A 15 15 ARG HA H 15 5.484 4.826 0.658 2
1 131 . 1 1 A 15 15 ARG CA C 15 54.493 55.485 -0.992 2
1 132 . 1 1 A 15 15 ARG CB C 15 33.621 32.462 1.159 2
1 133 . 1 1 A 15 15 ARG N N 15 111.571 118.982 -7.411 2
1 134 . 1 1 A 16 16 LEU H H 16 9.729 8.662 1.067 2
1 135 . 1 1 A 16 16 LEU HA H 16 5.329 5.103 0.227 2
1 144 . 1 1 A 16 16 LEU CA C 16 53.650 53.847 -0.197 2
1 145 . 1 1 A 16 16 LEU CB C 16 44.521 45.135 -0.614 2
1 148 . 1 1 A 16 16 LEU N N 16 125.998 124.050 1.948 2
1 149 . 1 1 A 17 17 GLY H H 17 9.504 8.945 0.559 2
1 150 . 1 1 A 17 17 GLY HA2 H 17 5.346 4.290 1.056 2
1 151 . 1 1 A 17 17 GLY HA3 H 17 4.211 4.310 -0.099 2
1 152 . 1 1 A 17 17 GLY CA C 17 43.759 44.650 -0.891 2
1 153 . 1 1 A 17 17 GLY N N 17 114.627 112.533 2.094 2
1 154 . 1 1 A 18 18 ALA H H 18 7.733 8.665 -0.932 2
1 155 . 1 1 A 18 18 ALA HA H 18 5.244 4.884 0.360 2
1 159 . 1 1 A 18 18 ALA CA C 18 51.532 51.627 -0.095 2
1 160 . 1 1 A 18 18 ALA CB C 18 22.204 19.958 2.246 2
1 161 . 1 1 A 18 18 ALA N N 18 119.712 123.130 -3.418 2
1 162 . 1 1 A 19 19 ARG H H 19 8.363 8.640 -0.277 2
1 163 . 1 1 A 19 19 ARG HA H 19 4.632 4.761 -0.129 2
1 166 . 1 1 A 19 19 ARG CA C 19 54.915 55.986 -1.071 2
1 167 . 1 1 A 19 19 ARG CB C 19 31.971 31.278 0.693 2
1 168 . 1 1 A 19 19 ARG N N 19 122.423 122.434 -0.011 2
1 169 . 1 1 A 20 20 LEU H H 20 9.540 8.835 0.705 2
1 170 . 1 1 A 20 20 LEU HA H 20 4.703 4.997 -0.294 2
1 179 . 1 1 A 20 20 LEU CA C 20 54.103 53.524 0.579 2
1 180 . 1 1 A 20 20 LEU CB C 20 42.688 44.477 -1.789 2
1 183 . 1 1 A 20 20 LEU N N 20 130.686 126.143 4.543 2
1 184 . 1 1 A 21 21 VAL H H 21 8.352 8.831 -0.479 2
1 185 . 1 1 A 21 21 VAL HA H 21 4.346 4.800 -0.454 2
1 193 . 1 1 A 21 21 VAL CA C 21 61.817 60.294 1.522 2
1 194 . 1 1 A 21 21 VAL CB C 21 33.976 33.908 0.068 2
1 197 . 1 1 A 21 21 VAL N N 21 120.930 120.722 0.209 2
1 198 . 1 1 A 22 22 GLN H H 22 8.319 8.670 -0.351 2
1 199 . 1 1 A 22 22 GLN HA H 22 4.646 4.547 0.099 2
1 204 . 1 1 A 22 22 GLN CA C 22 54.818 55.550 -0.732 2
1 205 . 1 1 A 22 22 GLN CB C 22 29.251 29.407 -0.156 2
1 206 . 1 1 A 22 22 GLN N N 22 127.936 125.678 2.258 2
1 207 . 1 1 A 23 23 GLU H H 23 8.667 8.677 -0.010 2
1 208 . 1 1 A 23 23 GLU HA H 23 4.370 4.553 -0.183 2
1 211 . 1 1 A 23 23 GLU CA C 23 54.495 55.831 -1.337 2
1 212 . 1 1 A 23 23 GLU CB C 23 30.618 31.531 -0.913 2
1 213 . 1 1 A 23 23 GLU N N 23 129.097 124.987 4.110 2
1 214 . 1 1 A 24 24 GLY H H 24 8.949 8.787 0.162 2
1 215 . 1 1 A 24 24 GLY HA2 H 24 3.879 3.908 -0.029 2
1 216 . 1 1 A 24 24 GLY HA3 H 24 3.543 3.921 -0.378 2
1 217 . 1 1 A 24 24 GLY CA C 24 46.645 45.386 1.259 2
1 218 . 1 1 A 24 24 GLY N N 24 117.894 114.312 3.582 2
1 219 . 1 1 A 25 25 ASN H H 25 8.747 8.696 0.051 2
1 220 . 1 1 A 25 25 ASN HA H 25 4.700 4.790 -0.090 2
1 223 . 1 1 A 25 25 ASN CA C 25 52.331 53.083 -0.752 2
1 224 . 1 1 A 25 25 ASN CB C 25 37.827 38.812 -0.985 2
1 225 . 1 1 A 25 25 ASN N N 25 124.981 122.443 2.538 2
1 226 . 1 1 A 26 26 GLN H H 26 7.811 7.550 0.261 2
1 227 . 1 1 A 26 26 GLN HA H 26 4.498 4.861 -0.363 2
1 232 . 1 1 A 26 26 GLN CA C 26 53.969 54.551 -0.582 2
1 233 . 1 1 A 26 26 GLN CB C 26 31.577 32.414 -0.837 2
1 235 . 1 1 A 26 26 GLN N N 26 117.634 117.617 0.017 2
1 236 . 1 1 A 27 27 LEU H H 27 9.306 8.936 0.370 2
1 237 . 1 1 A 27 27 LEU HA H 27 4.973 4.982 -0.009 2
1 246 . 1 1 A 27 27 LEU CA C 27 52.106 53.652 -1.546 2
1 247 . 1 1 A 27 27 LEU CB C 27 44.645 43.275 1.370 2
1 250 . 1 1 A 27 27 LEU N N 27 121.896 124.447 -2.551 2
1 251 . 1 1 A 28 28 HIS H H 28 8.998 8.933 0.065 2
1 252 . 1 1 A 28 28 HIS HA H 28 4.860 4.921 -0.061 2
1 255 . 1 1 A 28 28 HIS CA C 28 53.461 55.147 -1.686 2
1 256 . 1 1 A 28 28 HIS CB C 28 30.884 30.667 0.217 2
1 257 . 1 1 A 28 28 HIS N N 28 119.141 124.423 -5.282 2
1 258 . 1 1 A 29 29 TYR H H 29 8.811 9.117 -0.306 2
1 259 . 1 1 A 29 29 TYR HA H 29 4.571 4.931 -0.360 2
1 266 . 1 1 A 29 29 TYR CA C 29 56.308 56.745 -0.437 2
1 267 . 1 1 A 29 29 TYR CB C 29 38.935 40.013 -1.078 2
1 272 . 1 1 A 29 29 TYR N N 29 124.729 129.000 -4.271 2
1 273 . 1 1 A 30 30 LEU H H 30 8.677 8.491 0.186 2
1 274 . 1 1 A 30 30 LEU HA H 30 4.275 4.414 -0.139 2
1 283 . 1 1 A 30 30 LEU CA C 30 52.463 53.723 -1.260 2
1 284 . 1 1 A 30 30 LEU CB C 30 42.668 41.562 1.106 2
1 287 . 1 1 A 30 30 LEU N N 30 131.620 128.987 2.633 2
1 288 . 1 1 A 31 31 ALA H H 31 8.503 8.789 -0.286 2
1 289 . 1 1 A 31 31 ALA HA H 31 3.606 3.802 -0.196 2
1 293 . 1 1 A 31 31 ALA CA C 31 54.068 54.981 -0.914 2
1 294 . 1 1 A 31 31 ALA CB C 31 17.576 18.323 -0.747 2
1 295 . 1 1 A 31 31 ALA N N 31 128.548 127.050 1.498 2
1 296 . 1 1 A 32 32 ASP H H 32 8.102 8.140 -0.038 2
1 297 . 1 1 A 32 32 ASP HA H 32 4.531 4.289 0.242 2
1 300 . 1 1 A 32 32 ASP CA C 32 53.266 55.958 -2.692 2
1 301 . 1 1 A 32 32 ASP CB C 32 38.572 40.191 -1.619 2
1 302 . 1 1 A 32 32 ASP N N 32 111.569 117.509 -5.940 2
1 303 . 1 1 A 33 33 ARG H H 33 7.346 7.367 -0.021 2
1 304 . 1 1 A 33 33 ARG HA H 33 2.688 3.531 -0.843 2
1 309 . 1 1 A 33 33 ARG CA C 33 51.257 54.733 -3.476 2
1 310 . 1 1 A 33 33 ARG CB C 33 28.426 29.486 -1.060 2
1 311 . 1 1 A 33 33 ARG N N 33 122.483 117.847 4.636 2
1 312 . 1 1 A 34 34 ALA H H 34 6.661 7.355 -0.694 2
1 313 . 1 1 A 34 34 ALA HA H 34 5.275 4.776 0.499 2
1 317 . 1 1 A 34 34 ALA CA C 34 50.673 51.633 -0.960 2
1 318 . 1 1 A 34 34 ALA CB C 34 23.479 22.695 0.784 2
1 319 . 1 1 A 34 34 ALA N N 34 120.854 122.544 -1.690 2
1 320 . 1 1 A 35 35 SER H H 35 9.494 8.918 0.576 2
1 321 . 1 1 A 35 35 SER HA H 35 4.962 5.115 -0.153 2
1 324 . 1 1 A 35 35 SER CA C 35 57.438 57.559 -0.121 2
1 325 . 1 1 A 35 35 SER CB C 35 66.260 65.602 0.658 2
1 326 . 1 1 A 35 35 SER N N 35 114.094 116.152 -2.058 2
1 327 . 1 1 A 36 36 ILE H H 36 8.989 8.694 0.295 2
1 328 . 1 1 A 36 36 ILE HA H 36 5.199 4.917 0.282 2
1 338 . 1 1 A 36 36 ILE CA C 36 59.982 60.102 -0.121 2
1 339 . 1 1 A 36 36 ILE CB C 36 39.235 39.810 -0.575 2
1 343 . 1 1 A 36 36 ILE N N 36 125.993 122.347 3.646 2
1 344 . 1 1 A 37 37 THR H H 37 9.107 8.773 0.334 2
1 345 . 1 1 A 37 37 THR HA H 37 4.478 4.925 -0.447 2
1 350 . 1 1 A 37 37 THR CA C 37 62.063 60.085 1.978 2
1 351 . 1 1 A 37 37 THR CB C 37 69.419 71.873 -2.454 2
1 352 . 1 1 A 37 37 THR N N 37 126.763 117.416 9.347 2
1 353 . 1 1 A 38 38 GLY H H 38 8.546 8.627 -0.081 2
1 354 . 1 1 A 38 38 GLY HA2 H 38 3.556 3.712 -0.156 2
1 355 . 1 1 A 38 38 GLY HA3 H 38 3.968 3.829 0.139 2
1 356 . 1 1 A 38 38 GLY CA C 38 43.487 45.947 -2.460 2
1 357 . 1 1 A 38 38 GLY N N 38 113.541 112.193 1.348 2
1 358 . 1 1 A 39 39 LYS H H 39 8.131 7.992 0.139 2
1 359 . 1 1 A 39 39 LYS HA H 39 4.511 4.464 0.047 2
1 366 . 1 1 A 39 39 LYS CA C 39 54.562 55.530 -0.968 2
1 367 . 1 1 A 39 39 LYS CB C 39 34.646 33.787 0.859 2
1 370 . 1 1 A 39 39 LYS N N 39 119.477 119.345 0.132 2
1 371 . 1 1 A 40 40 PHE H H 40 8.739 8.862 -0.123 2
1 372 . 1 1 A 40 40 PHE HA H 40 4.482 4.867 -0.385 2
1 380 . 1 1 A 40 40 PHE CA C 40 58.592 57.616 0.976 2
1 381 . 1 1 A 40 40 PHE CB C 40 39.593 40.640 -1.047 2
1 387 . 1 1 A 40 40 PHE N N 40 125.875 123.412 2.463 2
1 388 . 1 1 A 41 41 SER H H 41 9.825 8.887 0.938 2
1 389 . 1 1 A 41 41 SER HA H 41 4.484 4.641 -0.157 2
1 392 . 1 1 A 41 41 SER CA C 41 57.383 58.208 -0.825 2
1 393 . 1 1 A 41 41 SER CB C 41 64.570 64.485 0.085 2
1 394 . 1 1 A 41 41 SER N N 41 120.297 119.266 1.031 2
1 395 . 1 1 A 42 42 ASP H H 42 8.944 9.020 -0.076 2
1 396 . 1 1 A 42 42 ASP HA H 42 4.493 4.354 0.139 2
1 399 . 1 1 A 42 42 ASP CA C 42 57.068 56.721 0.347 2
1 400 . 1 1 A 42 42 ASP CB C 42 39.471 40.360 -0.889 2
1 401 . 1 1 A 42 42 ASP N N 42 121.339 123.829 -2.490 2
1 402 . 1 1 A 43 43 ALA H H 43 8.071 7.782 0.289 2
1 403 . 1 1 A 43 43 ALA HA H 43 4.254 4.196 0.058 2
1 407 . 1 1 A 43 43 ALA CA C 43 53.245 53.155 0.090 2
1 408 . 1 1 A 43 43 ALA CB C 43 18.716 19.145 -0.429 2
1 409 . 1 1 A 43 43 ALA N N 43 119.592 120.881 -1.289 2
1 410 . 1 1 A 44 44 GLU H H 44 7.860 7.971 -0.111 2
1 411 . 1 1 A 44 44 GLU HA H 44 4.164 4.508 -0.344 2
1 414 . 1 1 A 44 44 GLU CA C 44 57.748 57.285 0.463 2
1 415 . 1 1 A 44 44 GLU CB C 44 30.832 30.704 0.128 2
1 416 . 1 1 A 44 44 GLU N N 44 117.391 116.590 0.801 2
1 417 . 1 1 A 45 45 CYS H H 45 8.212 8.682 -0.470 2
1 418 . 1 1 A 45 45 CYS HA H 45 4.010 4.102 -0.092 2
1 421 . 1 1 A 45 45 CYS CA C 45 65.262 63.584 1.678 2
1 422 . 1 1 A 45 45 CYS CB C 45 24.356 26.229 -1.873 2
1 423 . 1 1 A 45 45 CYS N N 45 117.475 120.121 -2.646 2
1 424 . 1 1 A 46 46 PRO HA H 46 4.406 4.237 0.169 2
1 427 . 1 1 A 46 46 PRO CA C 46 64.575 66.222 -1.647 2
1 428 . 1 1 A 46 46 PRO CB C 46 30.339 30.805 -0.466 2
1 429 . 1 1 A 47 47 LYS H H 47 6.825 8.201 -1.377 2
1 430 . 1 1 A 47 47 LYS HA H 47 4.032 4.034 -0.002 2
1 437 . 1 1 A 47 47 LYS CA C 47 57.897 59.277 -1.380 2
1 438 . 1 1 A 47 47 LYS CB C 47 32.303 32.127 0.176 2
1 440 . 1 1 A 47 47 LYS N N 47 116.096 118.722 -2.626 2
1 441 . 1 1 A 48 48 LEU H H 48 7.980 7.785 0.195 2
1 442 . 1 1 A 48 48 LEU HA H 48 3.252 3.881 -0.629 2
1 451 . 1 1 A 48 48 LEU CA C 48 57.086 57.554 -0.468 2
1 452 . 1 1 A 48 48 LEU CB C 48 40.525 41.593 -1.068 2
1 455 . 1 1 A 48 48 LEU N N 48 122.611 120.704 1.907 2
1 456 . 1 1 A 49 49 ASP H H 49 7.219 7.904 -0.684 2
1 457 . 1 1 A 49 49 ASP HA H 49 4.221 4.408 -0.187 2
1 460 . 1 1 A 49 49 ASP CA C 49 56.273 56.709 -0.435 2
1 461 . 1 1 A 49 49 ASP CB C 49 40.150 40.744 -0.594 2
1 462 . 1 1 A 49 49 ASP N N 49 115.153 119.024 -3.871 2
1 463 . 1 1 A 50 50 VAL H H 50 7.057 7.519 -0.462 2
1 464 . 1 1 A 50 50 VAL HA H 50 3.921 3.931 -0.010 2
1 472 . 1 1 A 50 50 VAL CA C 50 63.679 64.696 -1.017 2
1 473 . 1 1 A 50 50 VAL CB C 50 32.269 31.917 0.352 2
1 476 . 1 1 A 50 50 VAL N N 50 115.474 117.995 -2.521 2
1 477 . 1 1 A 51 51 VAL H H 51 8.071 7.714 0.357 2
1 478 . 1 1 A 51 51 VAL HA H 51 3.805 3.733 0.072 2
1 486 . 1 1 A 51 51 VAL CA C 51 63.650 65.188 -1.538 2
1 487 . 1 1 A 51 51 VAL CB C 51 31.130 31.409 -0.279 2
1 490 . 1 1 A 51 51 VAL N N 51 116.526 120.348 -3.822 2
1 491 . 1 1 A 52 52 PHE H H 52 8.203 8.083 0.120 2
1 492 . 1 1 A 52 52 PHE HA H 52 4.382 4.330 0.052 2
1 497 . 1 1 A 52 52 PHE CA C 52 63.038 62.005 1.033 2
1 498 . 1 1 A 52 52 PHE CB C 52 36.263 37.648 -1.385 2
1 501 . 1 1 A 52 52 PHE N N 52 121.336 120.845 0.491 2
1 502 . 1 1 A 53 53 PRO HA H 53 3.930 4.295 -0.365 2
1 507 . 1 1 A 53 53 PRO CA C 53 65.098 65.895 -0.797 2
1 508 . 1 1 A 53 53 PRO CB C 53 30.053 31.091 -1.038 2
1 509 . 1 1 A 54 54 HIS H H 54 6.741 7.693 -0.952 2
1 510 . 1 1 A 54 54 HIS HA H 54 4.041 4.202 -0.161 2
1 513 . 1 1 A 54 54 HIS CA C 54 59.100 59.018 0.082 2
1 514 . 1 1 A 54 54 HIS CB C 54 28.478 29.852 -1.374 2
1 515 . 1 1 A 54 54 HIS N N 54 116.851 116.878 -0.027 2
1 516 . 1 1 A 55 55 PHE H H 55 7.902 7.786 0.116 2
1 517 . 1 1 A 55 55 PHE HA H 55 4.230 4.108 0.122 2
1 522 . 1 1 A 55 55 PHE CA C 55 59.471 61.096 -1.625 2
1 523 . 1 1 A 55 55 PHE CB C 55 37.210 39.208 -1.998 2
1 526 . 1 1 A 55 55 PHE N N 55 118.222 117.884 0.338 2
1 527 . 1 1 A 56 56 ILE H H 56 7.812 7.777 0.035 2
1 528 . 1 1 A 56 56 ILE HA H 56 3.176 3.596 -0.420 2
1 538 . 1 1 A 56 56 ILE CA C 56 64.446 64.474 -0.028 2
1 539 . 1 1 A 56 56 ILE CB C 56 35.405 37.046 -1.641 2
1 542 . 1 1 A 56 56 ILE N N 56 117.686 120.043 -2.357 2
1 543 . 1 1 A 57 57 SER H H 57 7.660 8.385 -0.725 2
1 544 . 1 1 A 57 57 SER HA H 57 4.230 4.042 0.188 2
1 547 . 1 1 A 57 57 SER CA C 57 60.942 61.554 -0.612 2
1 548 . 1 1 A 57 57 SER CB C 57 62.062 62.584 -0.522 2
1 549 . 1 1 A 57 57 SER N N 57 113.709 116.121 -2.411 2
1 550 . 1 1 A 58 58 GLN H H 58 7.830 7.418 0.411 2
1 551 . 1 1 A 58 58 GLN HA H 58 3.934 4.035 -0.101 2
1 554 . 1 1 A 58 58 GLN CA C 58 58.232 58.492 -0.260 2
1 555 . 1 1 A 58 58 GLN CB C 58 28.502 28.318 0.184 2
1 556 . 1 1 A 58 58 GLN N N 58 121.550 120.693 0.857 2
1 557 . 1 1 A 59 59 ILE H H 59 8.482 7.899 0.584 2
1 558 . 1 1 A 59 59 ILE HA H 59 3.434 3.569 -0.135 2
1 568 . 1 1 A 59 59 ILE CA C 59 65.096 65.228 -0.132 2
1 569 . 1 1 A 59 59 ILE CB C 59 36.901 37.593 -0.692 2
1 572 . 1 1 A 59 59 ILE N N 59 121.796 120.702 1.094 2
1 573 . 1 1 A 60 60 GLU H H 60 8.450 8.418 0.032 2
1 574 . 1 1 A 60 60 GLU HA H 60 3.705 3.961 -0.256 2
1 579 . 1 1 A 60 60 GLU CA C 60 59.896 59.713 0.183 2
1 580 . 1 1 A 60 60 GLU CB C 60 29.133 29.277 -0.144 2
1 581 . 1 1 A 60 60 GLU N N 60 119.765 120.769 -1.004 2
1 582 . 1 1 A 61 61 SER H H 61 7.815 7.830 -0.015 2
1 583 . 1 1 A 61 61 SER HA H 61 4.226 4.224 0.002 2
1 586 . 1 1 A 61 61 SER CA C 61 61.382 61.650 -0.268 2
1 587 . 1 1 A 61 61 SER N N 61 114.979 116.293 -1.315 2
1 588 . 1 1 A 62 62 MET H H 62 7.878 8.127 -0.249 2
1 589 . 1 1 A 62 62 MET HA H 62 4.390 4.156 0.234 2
1 595 . 1 1 A 62 62 MET CA C 62 58.334 58.315 0.019 2
1 596 . 1 1 A 62 62 MET CB C 62 33.326 32.344 0.982 2
1 597 . 1 1 A 62 62 MET N N 62 120.947 120.380 0.567 2
1 598 . 1 1 A 63 63 LEU H H 63 8.179 7.872 0.306 2
1 599 . 1 1 A 63 63 LEU HA H 63 4.333 3.979 0.354 2
1 609 . 1 1 A 63 63 LEU CA C 63 56.920 57.834 -0.914 2
1 610 . 1 1 A 63 63 LEU CB C 63 40.871 41.558 -0.687 2
1 613 . 1 1 A 63 63 LEU N N 63 121.156 119.614 1.542 2
1 614 . 1 1 A 64 64 THR H H 64 7.913 7.559 0.354 2
1 615 . 1 1 A 64 64 THR HA H 64 3.980 4.094 -0.114 2
1 620 . 1 1 A 64 64 THR CA C 64 65.633 65.562 0.071 2
1 621 . 1 1 A 64 64 THR CB C 64 68.205 68.923 -0.718 2
1 622 . 1 1 A 64 64 THR N N 64 116.077 113.323 2.754 2
1 623 . 1 1 A 65 65 THR H H 65 8.138 8.804 -0.666 2
1 624 . 1 1 A 65 65 THR HA H 65 4.224 4.008 0.216 2
1 629 . 1 1 A 65 65 THR CA C 65 62.390 65.907 -3.517 2
1 630 . 1 1 A 65 65 THR CB C 65 69.153 68.166 0.987 2
1 632 . 1 1 A 65 65 THR N N 65 110.012 114.575 -4.563 2
1 633 . 1 1 A 66 66 GLY H H 66 7.529 8.185 -0.656 2
1 634 . 1 1 A 66 66 GLY HA2 H 66 4.300 3.935 0.365 2
1 635 . 1 1 A 66 66 GLY HA3 H 66 3.771 3.938 -0.167 2
1 636 . 1 1 A 66 66 GLY CA C 66 44.829 45.783 -0.954 2
1 637 . 1 1 A 66 66 GLY N N 66 108.759 108.663 0.096 2
1 638 . 1 1 A 67 67 GLU H H 67 8.480 8.134 0.346 2
1 639 . 1 1 A 67 67 GLU HA H 67 3.920 4.197 -0.277 2
1 644 . 1 1 A 67 67 GLU CA C 67 59.013 57.045 1.968 2
1 645 . 1 1 A 67 67 GLU CB C 67 30.042 28.347 1.695 2
1 647 . 1 1 A 67 67 GLU N N 67 123.262 119.176 4.086 2
1 648 . 1 1 A 68 68 LEU H H 68 7.137 8.246 -1.109 2
1 649 . 1 1 A 68 68 LEU HA H 68 4.545 4.566 -0.021 2
1 659 . 1 1 A 68 68 LEU CA C 68 52.955 55.112 -2.157 2
1 660 . 1 1 A 68 68 LEU CB C 68 45.377 42.844 2.533 2
1 663 . 1 1 A 68 68 LEU N N 68 115.782 124.999 -9.217 2
1 664 . 1 1 A 69 69 ASN H H 69 9.102 8.718 0.384 2
1 665 . 1 1 A 69 69 ASN HA H 69 5.125 5.260 -0.135 2
1 668 . 1 1 A 69 69 ASN CA C 69 49.347 50.202 -0.855 2
1 669 . 1 1 A 69 69 ASN CB C 69 41.313 39.948 1.365 2
1 670 . 1 1 A 69 69 ASN N N 69 121.546 122.788 -1.242 2
1 671 . 1 1 A 70 70 PRO HA H 70 4.479 4.491 -0.012 2
1 678 . 1 1 A 70 70 PRO CA C 70 64.544 63.450 1.094 2
1 679 . 1 1 A 70 70 PRO CB C 70 33.813 31.164 2.649 2
1 681 . 1 1 A 71 71 ARG H H 71 7.981 8.606 -0.625 2
1 682 . 1 1 A 71 71 ARG HA H 71 4.225 4.460 -0.235 2
1 689 . 1 1 A 71 71 ARG CA C 71 55.319 57.084 -1.765 2
1 690 . 1 1 A 71 71 ARG CB C 71 30.545 32.381 -1.836 2
1 693 . 1 1 A 71 71 ARG N N 71 109.539 122.514 -12.975 2
1 694 . 1 1 A 72 72 HIS H H 72 7.702 7.951 -0.249 2
1 695 . 1 1 A 72 72 HIS HA H 72 4.780 4.928 -0.148 2
1 698 . 1 1 A 72 72 HIS CA C 72 53.769 55.548 -1.779 2
1 699 . 1 1 A 72 72 HIS CB C 72 32.267 32.777 -0.510 2
1 700 . 1 1 A 72 72 HIS N N 72 118.028 116.256 1.772 2
1 701 . 1 1 A 73 73 ALA H H 73 8.586 8.004 0.582 2
1 702 . 1 1 A 73 73 ALA HA H 73 4.130 4.215 -0.085 2
1 706 . 1 1 A 73 73 ALA CA C 73 52.426 52.774 -0.348 2
1 707 . 1 1 A 73 73 ALA CB C 73 17.699 19.069 -1.370 2
1 708 . 1 1 A 73 73 ALA N N 73 127.706 125.665 2.041 2
1 709 . 1 1 A 74 74 GLN H H 74 9.530 8.427 1.103 2
1 710 . 1 1 A 74 74 GLN HA H 74 4.089 4.753 -0.664 2
1 715 . 1 1 A 74 74 GLN CA C 74 57.063 55.443 1.620 2
1 716 . 1 1 A 74 74 GLN CB C 74 29.296 31.617 -2.322 2
1 717 . 1 1 A 74 74 GLN N N 74 125.174 120.924 4.250 2
1 718 . 1 1 A 75 75 CYS H H 75 8.611 8.794 -0.183 2
1 719 . 1 1 A 75 75 CYS HA H 75 5.175 5.090 0.084 2
1 722 . 1 1 A 75 75 CYS CA C 75 57.365 58.226 -0.861 2
1 723 . 1 1 A 75 75 CYS CB C 75 27.393 29.364 -1.971 2
1 724 . 1 1 A 75 75 CYS N N 75 127.825 125.230 2.595 2
1 725 . 1 1 A 76 76 VAL H H 76 9.430 8.595 0.835 2
1 726 . 1 1 A 76 76 VAL HA H 76 4.672 4.940 -0.268 2
1 734 . 1 1 A 76 76 VAL CA C 76 59.670 60.105 -0.435 2
1 735 . 1 1 A 76 76 VAL CB C 76 33.946 35.674 -1.728 2
1 738 . 1 1 A 76 76 VAL N N 76 127.195 122.643 4.552 2
1 739 . 1 1 A 77 77 THR H H 77 8.203 9.014 -0.811 2
1 740 . 1 1 A 77 77 THR HA H 77 4.890 5.254 -0.364 2
1 745 . 1 1 A 77 77 THR CA C 77 61.623 60.891 0.732 2
1 746 . 1 1 A 77 77 THR CB C 77 69.561 70.640 -1.079 2
1 747 . 1 1 A 77 77 THR N N 77 117.773 119.325 -1.552 2
1 748 . 1 1 A 78 78 LEU H H 78 9.220 9.040 0.180 2
1 749 . 1 1 A 78 78 LEU HA H 78 4.597 5.022 -0.425 2
1 758 . 1 1 A 78 78 LEU CA C 78 52.667 53.908 -1.242 2
1 759 . 1 1 A 78 78 LEU CB C 78 45.023 44.076 0.947 2
1 762 . 1 1 A 78 78 LEU N N 78 127.846 127.732 0.114 2
1 763 . 1 1 A 79 79 TYR H H 79 8.739 8.610 0.129 2
1 764 . 1 1 A 79 79 TYR HA H 79 5.680 5.577 0.103 2
1 771 . 1 1 A 79 79 TYR CA C 79 55.963 56.064 -0.101 2
1 772 . 1 1 A 79 79 TYR CB C 79 41.396 41.760 -0.364 2
1 777 . 1 1 A 79 79 TYR N N 79 117.451 120.514 -3.063 2
1 778 . 1 1 A 80 80 HIS H H 80 9.324 8.752 0.572 2
1 779 . 1 1 A 80 80 HIS HA H 80 4.545 4.835 -0.290 2
1 782 . 1 1 A 80 80 HIS CA C 80 57.781 55.165 2.616 2
1 783 . 1 1 A 80 80 HIS CB C 80 32.894 32.319 0.575 2
1 784 . 1 1 A 80 80 HIS N N 80 121.592 120.630 0.962 2
1 785 . 1 1 A 81 81 ASN H H 81 8.619 8.993 -0.374 2
1 786 . 1 1 A 81 81 ASN HA H 81 4.091 4.447 -0.356 2
1 789 . 1 1 A 81 81 ASN CA C 81 52.908 53.620 -0.712 2
1 790 . 1 1 A 81 81 ASN CB C 81 37.384 37.869 -0.485 2
1 791 . 1 1 A 81 81 ASN N N 81 125.264 121.063 4.201 2
1 792 . 1 1 A 82 82 GLY H H 82 8.336 8.399 -0.063 2
1 793 . 1 1 A 82 82 GLY HA2 H 82 4.096 3.769 0.327 2
1 794 . 1 1 A 82 82 GLY HA3 H 82 3.595 3.857 -0.262 2
1 795 . 1 1 A 82 82 GLY CA C 82 45.132 45.329 -0.197 2
1 796 . 1 1 A 82 82 GLY N N 82 102.719 105.825 -3.106 2
1 797 . 1 1 A 83 83 PHE H H 83 8.498 7.737 0.761 2
1 798 . 1 1 A 83 83 PHE HA H 83 5.049 4.604 0.446 2
1 803 . 1 1 A 83 83 PHE CA C 83 57.244 58.414 -1.170 2
1 804 . 1 1 A 83 83 PHE CB C 83 42.331 40.205 2.126 2
1 807 . 1 1 A 83 83 PHE N N 83 120.461 119.633 0.828 2
1 808 . 1 1 A 84 84 THR H H 84 9.387 8.677 0.711 2
1 809 . 1 1 A 84 84 THR HA H 84 4.771 5.105 -0.334 2
1 814 . 1 1 A 84 84 THR CA C 84 60.323 60.939 -0.616 2
1 815 . 1 1 A 84 84 THR CB C 84 71.263 71.200 0.063 2
1 816 . 1 1 A 84 84 THR N N 84 118.901 114.497 4.404 2
1 817 . 1 1 A 85 85 CYS H H 85 8.691 8.944 -0.253 2
1 818 . 1 1 A 85 85 CYS HA H 85 5.010 5.019 -0.010 2
1 821 . 1 1 A 85 85 CYS CA C 85 54.594 57.222 -2.628 2
1 822 . 1 1 A 85 85 CYS CB C 85 26.847 29.015 -2.168 2
1 823 . 1 1 A 85 85 CYS N N 85 124.244 126.074 -1.830 2
1 824 . 1 1 A 86 86 GLU H H 86 9.051 8.519 0.532 2
1 825 . 1 1 A 86 86 GLU HA H 86 5.304 5.058 0.247 2
1 830 . 1 1 A 86 86 GLU CA C 86 54.424 55.512 -1.088 2
1 831 . 1 1 A 86 86 GLU CB C 86 34.037 31.813 2.224 2
1 832 . 1 1 A 86 86 GLU N N 86 128.372 124.963 3.409 2
1 833 . 1 1 A 87 87 ALA H H 87 8.758 8.569 0.189 2
1 834 . 1 1 A 87 87 ALA HA H 87 5.520 5.273 0.247 2
1 838 . 1 1 A 87 87 ALA CA C 87 49.578 50.751 -1.173 2
1 839 . 1 1 A 87 87 ALA N N 87 122.903 125.978 -3.075 2
1 840 . 1 1 A 88 88 ASP H H 88 8.849 8.423 0.426 2
1 841 . 1 1 A 88 88 ASP HA H 88 5.146 5.179 -0.033 2
1 844 . 1 1 A 88 88 ASP CA C 88 53.299 53.429 -0.130 2
1 845 . 1 1 A 88 88 ASP CB C 88 46.981 44.804 2.177 2
1 846 . 1 1 A 88 88 ASP N N 88 119.653 119.053 0.600 2
1 847 . 1 1 A 89 89 THR H H 89 9.780 8.618 1.162 2
1 848 . 1 1 A 89 89 THR HA H 89 4.940 4.382 0.558 2
1 853 . 1 1 A 89 89 THR CA C 89 63.221 63.419 -0.198 2
1 854 . 1 1 A 89 89 THR CB C 89 69.269 69.924 -0.655 2
1 856 . 1 1 A 89 89 THR N N 89 120.857 116.531 4.326 2
1 857 . 1 1 A 90 90 LEU H H 90 10.670 8.276 2.394 2
1 858 . 1 1 A 90 90 LEU HA H 90 3.619 3.957 -0.338 2
1 868 . 1 1 A 90 90 LEU CA C 90 55.620 56.220 -0.600 2
1 869 . 1 1 A 90 90 LEU CB C 90 38.653 40.196 -1.543 2
1 873 . 1 1 A 90 90 LEU N N 90 121.028 119.102 1.926 2
1 874 . 1 1 A 91 91 GLY H H 91 8.606 8.492 0.114 2
1 875 . 1 1 A 91 91 GLY HA2 H 91 3.500 3.872 -0.372 2
1 876 . 1 1 A 91 91 GLY HA3 H 91 3.680 3.887 -0.207 2
1 877 . 1 1 A 91 91 GLY CA C 91 46.299 45.941 0.358 2
1 878 . 1 1 A 91 91 GLY N N 91 107.743 106.096 1.648 2
1 879 . 1 1 A 92 92 SER H H 92 8.126 8.558 -0.432 2
1 880 . 1 1 A 92 92 SER HA H 92 4.078 4.546 -0.468 2
1 883 . 1 1 A 92 92 SER CA C 92 59.779 58.479 1.300 2
1 884 . 1 1 A 92 92 SER CB C 92 65.161 63.330 1.831 2
1 885 . 1 1 A 92 92 SER N N 92 112.753 116.343 -3.590 2
1 886 . 1 1 A 93 93 CYS H H 93 9.001 8.547 0.454 2
1 887 . 1 1 A 93 93 CYS HA H 93 3.617 4.542 -0.925 2
1 890 . 1 1 A 93 93 CYS CA C 93 59.953 59.645 0.308 2
1 891 . 1 1 A 93 93 CYS CB C 93 25.176 28.053 -2.877 2
1 892 . 1 1 A 93 93 CYS N N 93 119.159 121.470 -2.311 2
1 893 . 1 1 A 94 94 GLY H H 94 8.795 8.448 0.346 2
1 894 . 1 1 A 94 94 GLY HA2 H 94 4.063 3.722 0.341 2
1 895 . 1 1 A 94 94 GLY HA3 H 94 3.503 3.828 -0.325 2
1 896 . 1 1 A 94 94 GLY CA C 94 46.150 45.771 0.379 2
1 897 . 1 1 A 94 94 GLY N N 94 105.924 110.555 -4.631 2
1 898 . 1 1 A 95 95 TYR H H 95 8.144 7.926 0.218 2
1 899 . 1 1 A 95 95 TYR HA H 95 5.743 4.993 0.750 2
1 906 . 1 1 A 95 95 TYR CA C 95 54.818 56.438 -1.620 2
1 907 . 1 1 A 95 95 TYR CB C 95 41.503 42.546 -1.043 2
1 912 . 1 1 A 95 95 TYR N N 95 118.757 118.765 -0.008 2
1 913 . 1 1 A 96 96 VAL H H 96 8.280 8.519 -0.239 2
1 914 . 1 1 A 96 96 VAL HA H 96 4.082 4.671 -0.589 2
1 922 . 1 1 A 96 96 VAL CA C 96 62.593 60.751 1.842 2
1 923 . 1 1 A 96 96 VAL CB C 96 34.676 34.854 -0.178 2
1 926 . 1 1 A 96 96 VAL N N 96 117.579 120.240 -2.660 2
1 927 . 1 1 A 97 97 TYR H H 97 9.171 8.854 0.317 2
1 928 . 1 1 A 97 97 TYR HA H 97 4.987 5.330 -0.343 2
1 935 . 1 1 A 97 97 TYR CA C 97 57.046 56.595 0.451 2
1 936 . 1 1 A 97 97 TYR CB C 97 39.334 40.941 -1.607 2
1 941 . 1 1 A 97 97 TYR N N 97 129.228 124.770 4.458 2
1 942 . 1 1 A 98 98 ILE H H 98 8.739 8.911 -0.172 2
1 943 . 1 1 A 98 98 ILE HA H 98 6.098 5.205 0.893 2
1 953 . 1 1 A 98 98 ILE CA C 98 57.878 59.418 -1.540 2
1 954 . 1 1 A 98 98 ILE CB C 98 43.028 42.614 0.414 2
1 958 . 1 1 A 98 98 ILE N N 98 112.588 118.016 -5.428 2
1 959 . 1 1 A 99 99 ALA H H 99 8.867 8.338 0.529 2
1 960 . 1 1 A 99 99 ALA HA H 99 5.507 5.213 0.294 2
1 964 . 1 1 A 99 99 ALA CA C 99 51.757 51.348 0.409 2
1 965 . 1 1 A 99 99 ALA CB C 99 21.801 23.069 -1.268 2
1 966 . 1 1 A 99 99 ALA N N 99 124.370 123.613 0.757 2
1 967 . 1 1 A 100 100 VAL H H 100 9.706 8.688 1.018 2
1 968 . 1 1 A 100 100 VAL HA H 100 5.238 4.812 0.426 2
1 976 . 1 1 A 100 100 VAL CA C 100 60.077 60.491 -0.414 2
1 977 . 1 1 A 100 100 VAL CB C 100 34.166 34.078 0.088 2
1 980 . 1 1 A 100 100 VAL N N 100 122.354 120.607 1.747 2
1 981 . 1 1 A 101 101 TYR H H 101 8.833 8.673 0.160 2
1 982 . 1 1 A 101 101 TYR HA H 101 5.529 5.208 0.321 2
1 985 . 1 1 A 101 101 TYR CA C 101 54.118 55.658 -1.540 2
1 986 . 1 1 A 101 101 TYR CB C 101 37.597 40.468 -2.871 2
1 987 . 1 1 A 101 101 TYR N N 101 123.413 126.479 -3.066 2
1 988 . 1 1 A 102 102 PRO HA H 102 4.198 4.432 -0.234 2
1 993 . 1 1 A 102 102 PRO CA C 102 61.976 62.915 -0.939 2
1 994 . 1 1 A 102 102 PRO CB C 102 31.325 32.200 -0.875 2
1 996 . 1 1 A 103 103 THR H H 103 8.740 8.250 0.490 2
1 997 . 1 1 A 103 103 THR HA H 103 3.983 4.567 -0.584 2
1 1002 . 1 1 A 103 103 THR CA C 103 64.447 61.136 3.311 2
1 1003 . 1 1 A 103 103 THR CB C 103 68.595 70.131 -1.536 2
1 1005 . 1 1 A 103 103 THR N N 103 122.463 114.685 7.778 2
1 1006 . 1 1 A 104 104 GLN H H 104 8.672 8.751 -0.079 2
1 1007 . 1 1 A 104 104 GLN HA H 104 4.309 4.257 0.052 2
1 1010 . 1 1 A 104 104 GLN CA C 104 54.989 57.195 -2.206 2
1 1011 . 1 1 A 104 104 GLN CB C 104 29.277 28.483 0.794 2
1 1012 . 1 1 A 104 104 GLN N N 104 123.452 124.307 -0.855 2
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