data_10247_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10247
_Entry.PDB_ID 2CO8
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 9 9 HIS HA H 9 4.627 5.172 -0.545 1
1 5 . 1 1 1 A 9 9 HIS C C 9 175.239 174.366 0.873 1
1 6 . 1 1 1 A 9 9 HIS CA C 9 56.347 54.614 1.733 1
1 7 . 1 1 1 A 9 9 HIS CB C 9 30.681 31.317 -0.636 1
1 9 . 1 1 1 A 10 10 GLN H H 10 8.313 8.988 -0.675 1
1 10 . 1 1 1 A 10 10 GLN HA H 10 4.323 5.056 -0.733 1
1 17 . 1 1 1 A 10 10 GLN C C 10 175.703 173.855 1.848 1
1 18 . 1 1 1 A 10 10 GLN CA C 10 55.875 54.582 1.293 1
1 19 . 1 1 1 A 10 10 GLN CB C 10 29.726 33.312 -3.586 1
1 21 . 1 1 1 A 10 10 GLN N N 10 122.031 120.653 1.378 1
1 23 . 1 1 1 A 11 11 GLU H H 11 8.546 8.828 -0.282 1
1 24 . 1 1 1 A 11 11 GLU HA H 11 4.275 4.998 -0.723 1
1 29 . 1 1 1 A 11 11 GLU C C 11 176.303 174.847 1.456 1
1 30 . 1 1 1 A 11 11 GLU CA C 11 56.472 55.279 1.193 1
1 31 . 1 1 1 A 11 11 GLU CB C 11 30.303 33.317 -3.014 1
1 33 . 1 1 1 A 11 11 GLU N N 11 122.648 118.326 4.322 1
1 34 . 1 1 1 A 12 12 ALA H H 12 8.403 8.193 0.210 1
1 35 . 1 1 1 A 12 12 ALA HA H 12 4.288 4.455 -0.167 1
1 39 . 1 1 1 A 12 12 ALA C C 12 178.231 177.750 0.481 1
1 40 . 1 1 1 A 12 12 ALA CA C 12 52.759 53.181 -0.422 1
1 41 . 1 1 1 A 12 12 ALA CB C 12 19.237 21.341 -2.104 1
1 42 . 1 1 1 A 12 12 ALA N N 12 125.516 122.714 2.802 1
1 43 . 1 1 1 A 13 13 GLY H H 13 8.490 7.818 0.672 1
1 44 . 1 1 1 A 13 13 GLY HA2 H 13 3.994 4.058 -0.064 1
1 45 . 1 1 1 A 13 13 GLY HA3 H 13 3.890 4.064 -0.174 1
1 46 . 1 1 1 A 13 13 GLY C C 13 174.176 173.211 0.965 1
1 47 . 1 1 1 A 13 13 GLY CA C 13 45.094 43.730 1.364 1
1 48 . 1 1 1 A 13 13 GLY N N 13 108.839 103.739 5.100 1
1 49 . 1 1 1 A 14 14 ALA H H 14 8.172 8.070 0.102 1
1 50 . 1 1 1 A 14 14 ALA HA H 14 4.246 4.272 -0.026 1
1 54 . 1 1 1 A 14 14 ALA C C 14 178.304 178.070 0.234 1
1 55 . 1 1 1 A 14 14 ALA CA C 14 52.988 52.212 0.776 1
1 56 . 1 1 1 A 14 14 ALA CB C 14 19.228 19.953 -0.725 1
1 57 . 1 1 1 A 14 14 ALA N N 14 123.459 122.752 0.707 1
1 58 . 1 1 1 A 15 15 GLY H H 15 8.329 8.585 -0.256 1
1 59 . 1 1 1 A 15 15 GLY HA2 H 15 3.578 3.802 -0.224 1
1 60 . 1 1 1 A 15 15 GLY HA3 H 15 3.578 3.825 -0.247 1
1 61 . 1 1 1 A 15 15 GLY C C 15 173.577 174.196 -0.619 1
1 62 . 1 1 1 A 15 15 GLY CA C 15 45.128 46.896 -1.768 1
1 63 . 1 1 1 A 15 15 GLY N N 15 107.276 107.809 -0.533 1
1 64 . 1 1 1 A 16 16 ASP H H 16 7.898 7.698 0.200 1
1 65 . 1 1 1 A 16 16 ASP HA H 16 4.547 4.807 -0.260 1
1 68 . 1 1 1 A 16 16 ASP C C 16 174.898 174.250 0.648 1
1 69 . 1 1 1 A 16 16 ASP CA C 16 54.344 53.052 1.292 1
1 70 . 1 1 1 A 16 16 ASP CB C 16 41.534 41.136 0.398 1
1 71 . 1 1 1 A 16 16 ASP N N 16 118.642 119.652 -1.010 1
1 72 . 1 1 1 A 17 17 LEU H H 17 7.822 7.582 0.240 1
1 73 . 1 1 1 A 17 17 LEU HA H 17 4.446 4.940 -0.494 1
1 83 . 1 1 1 A 17 17 LEU C C 17 175.902 175.658 0.244 1
1 84 . 1 1 1 A 17 17 LEU CA C 17 53.128 53.105 0.023 1
1 85 . 1 1 1 A 17 17 LEU CB C 17 44.656 45.311 -0.655 1
1 89 . 1 1 1 A 17 17 LEU N N 17 119.654 120.545 -0.891 1
1 90 . 1 1 1 A 18 18 CYS H H 18 8.080 8.336 -0.256 1
1 91 . 1 1 1 A 18 18 CYS HA H 18 4.248 4.284 -0.036 1
1 94 . 1 1 1 A 18 18 CYS C C 18 177.466 174.888 2.578 1
1 95 . 1 1 1 A 18 18 CYS CA C 18 58.398 59.231 -0.833 1
1 96 . 1 1 1 A 18 18 CYS CB C 18 31.990 28.477 3.513 1
1 97 . 1 1 1 A 18 18 CYS N N 18 123.013 124.571 -1.558 1
1 98 . 1 1 1 A 19 19 ALA H H 19 9.211 8.512 0.699 1
1 99 . 1 1 1 A 19 19 ALA HA H 19 4.172 4.096 0.076 1
1 103 . 1 1 1 A 19 19 ALA C C 19 177.724 179.140 -1.416 1
1 104 . 1 1 1 A 19 19 ALA CA C 19 54.327 53.210 1.117 1
1 105 . 1 1 1 A 19 19 ALA CB C 19 18.662 19.494 -0.832 1
1 106 . 1 1 1 A 19 19 ALA N N 19 132.258 127.185 5.073 1
1 107 . 1 1 1 A 20 20 LEU H H 20 8.911 7.723 1.188 1
1 108 . 1 1 1 A 20 20 LEU HA H 20 4.736 3.979 0.757 1
1 118 . 1 1 1 A 20 20 LEU C C 20 177.779 178.849 -1.070 1
1 119 . 1 1 1 A 20 20 LEU CA C 20 56.935 58.173 -1.238 1
1 120 . 1 1 1 A 20 20 LEU CB C 20 43.750 42.080 1.670 1
1 124 . 1 1 1 A 20 20 LEU N N 20 119.770 119.029 0.741 1
1 125 . 1 1 1 A 21 21 CYS H H 21 8.159 7.821 0.338 1
1 126 . 1 1 1 A 21 21 CYS HA H 21 4.962 4.592 0.370 1
1 129 . 1 1 1 A 21 21 CYS C C 21 176.947 175.450 1.497 1
1 130 . 1 1 1 A 21 21 CYS CA C 21 59.137 59.859 -0.722 1
1 131 . 1 1 1 A 21 21 CYS CB C 21 31.728 29.241 2.487 1
1 132 . 1 1 1 A 21 21 CYS N N 21 116.713 113.323 3.390 1
1 133 . 1 1 1 A 22 22 GLY H H 22 8.088 8.242 -0.154 1
1 134 . 1 1 1 A 22 22 GLY HA2 H 22 4.160 3.982 0.178 1
1 135 . 1 1 1 A 22 22 GLY HA3 H 22 3.865 4.002 -0.137 1
1 136 . 1 1 1 A 22 22 GLY C C 22 173.190 174.159 -0.969 1
1 137 . 1 1 1 A 22 22 GLY CA C 22 46.556 45.489 1.067 1
1 138 . 1 1 1 A 22 22 GLY N N 22 112.000 110.135 1.865 1
1 139 . 1 1 1 A 23 23 GLU H H 23 8.378 8.042 0.336 1
1 140 . 1 1 1 A 23 23 GLU HA H 23 4.712 4.763 -0.051 1
1 145 . 1 1 1 A 23 23 GLU C C 23 176.434 175.767 0.667 1
1 146 . 1 1 1 A 23 23 GLU CA C 23 55.014 55.096 -0.082 1
1 147 . 1 1 1 A 23 23 GLU CB C 23 31.557 31.678 -0.121 1
1 149 . 1 1 1 A 23 23 GLU N N 23 118.877 119.269 -0.392 1
1 150 . 1 1 1 A 24 24 HIS H H 24 8.666 8.854 -0.188 1
1 151 . 1 1 1 A 24 24 HIS HA H 24 4.333 4.583 -0.250 1
1 156 . 1 1 1 A 24 24 HIS C C 24 175.281 174.129 1.152 1
1 157 . 1 1 1 A 24 24 HIS CA C 24 58.186 57.736 0.450 1
1 158 . 1 1 1 A 24 24 HIS CB C 24 30.099 30.689 -0.590 1
1 161 . 1 1 1 A 24 24 HIS N N 24 118.732 121.594 -2.862 1
1 162 . 1 1 1 A 25 25 LEU H H 25 7.928 8.026 -0.098 1
1 163 . 1 1 1 A 25 25 LEU HA H 25 4.174 5.276 -1.102 1
1 173 . 1 1 1 A 25 25 LEU C C 25 175.186 175.100 0.086 1
1 174 . 1 1 1 A 25 25 LEU CA C 25 53.992 53.835 0.157 1
1 175 . 1 1 1 A 25 25 LEU CB C 25 43.742 44.818 -1.076 1
1 179 . 1 1 1 A 25 25 LEU N N 25 125.590 127.475 -1.885 1
1 180 . 1 1 1 A 26 26 TYR H H 26 8.768 8.934 -0.166 1
1 181 . 1 1 1 A 26 26 TYR HA H 26 4.651 4.973 -0.322 1
1 188 . 1 1 1 A 26 26 TYR C C 26 177.267 177.302 -0.035 1
1 189 . 1 1 1 A 26 26 TYR CA C 26 57.270 56.883 0.387 1
1 190 . 1 1 1 A 26 26 TYR CB C 26 38.210 40.182 -1.972 1
1 195 . 1 1 1 A 26 26 TYR N N 26 123.119 124.690 -1.571 1
1 196 . 1 1 1 A 27 27 VAL H H 27 8.086 7.713 0.373 1
1 197 . 1 1 1 A 27 27 VAL HA H 27 3.809 3.790 0.019 1
1 205 . 1 1 1 A 27 27 VAL C C 27 176.958 176.093 0.865 1
1 206 . 1 1 1 A 27 27 VAL CA C 27 64.551 64.521 0.030 1
1 207 . 1 1 1 A 27 27 VAL CB C 27 31.788 31.423 0.365 1
1 210 . 1 1 1 A 27 27 VAL N N 27 121.055 122.287 -1.232 1
1 211 . 1 1 1 A 28 28 LEU H H 28 7.665 7.342 0.323 1
1 212 . 1 1 1 A 28 28 LEU HA H 28 4.285 4.583 -0.298 1
1 222 . 1 1 1 A 28 28 LEU C C 28 177.710 177.015 0.695 1
1 223 . 1 1 1 A 28 28 LEU CA C 28 56.297 54.485 1.812 1
1 224 . 1 1 1 A 28 28 LEU CB C 28 41.998 42.160 -0.162 1
1 228 . 1 1 1 A 28 28 LEU N N 28 119.062 120.285 -1.223 1
1 229 . 1 1 1 A 29 29 GLU H H 29 7.961 7.972 -0.011 1
1 230 . 1 1 1 A 29 29 GLU HA H 29 4.479 4.556 -0.077 1
1 235 . 1 1 1 A 29 29 GLU C C 29 175.755 176.227 -0.472 1
1 236 . 1 1 1 A 29 29 GLU CA C 29 56.248 56.324 -0.076 1
1 237 . 1 1 1 A 29 29 GLU CB C 29 30.550 32.322 -1.772 1
1 239 . 1 1 1 A 29 29 GLU N N 29 117.067 116.954 0.113 1
1 240 . 1 1 1 A 30 30 ARG H H 30 7.724 7.301 0.423 1
1 241 . 1 1 1 A 30 30 ARG HA H 30 4.688 4.495 0.193 1
1 248 . 1 1 1 A 30 30 ARG C C 30 174.546 175.792 -1.246 1
1 249 . 1 1 1 A 30 30 ARG CA C 30 55.948 56.193 -0.245 1
1 250 . 1 1 1 A 30 30 ARG CB C 30 33.034 30.460 2.574 1
1 253 . 1 1 1 A 30 30 ARG N N 30 120.305 118.075 2.230 1
1 254 . 1 1 1 A 31 31 LEU H H 31 8.970 8.867 0.103 1
1 255 . 1 1 1 A 31 31 LEU HA H 31 4.635 4.801 -0.166 1
1 265 . 1 1 1 A 31 31 LEU C C 31 174.536 175.462 -0.926 1
1 266 . 1 1 1 A 31 31 LEU CA C 31 54.168 53.779 0.389 1
1 267 . 1 1 1 A 31 31 LEU CB C 31 45.021 42.812 2.209 1
1 271 . 1 1 1 A 31 31 LEU N N 31 124.553 124.409 0.144 1
1 272 . 1 1 1 A 32 32 CYS H H 32 8.558 8.772 -0.214 1
1 273 . 1 1 1 A 32 32 CYS HA H 32 4.954 4.432 0.522 1
1 276 . 1 1 1 A 32 32 CYS C C 32 174.418 174.075 0.343 1
1 277 . 1 1 1 A 32 32 CYS CA C 32 56.874 58.819 -1.945 1
1 278 . 1 1 1 A 32 32 CYS CB C 32 28.054 27.320 0.734 1
1 279 . 1 1 1 A 32 32 CYS N N 32 124.126 124.709 -0.583 1
1 280 . 1 1 1 A 33 33 VAL H H 33 8.893 9.049 -0.156 1
1 281 . 1 1 1 A 33 33 VAL HA H 33 4.103 4.469 -0.366 1
1 289 . 1 1 1 A 33 33 VAL C C 33 175.525 176.056 -0.531 1
1 290 . 1 1 1 A 33 33 VAL CA C 33 61.551 61.120 0.431 1
1 291 . 1 1 1 A 33 33 VAL CB C 33 34.027 33.039 0.988 1
1 294 . 1 1 1 A 33 33 VAL N N 33 129.037 125.759 3.278 1
1 295 . 1 1 1 A 34 34 ASN HA H 34 4.389 4.448 -0.059 1
1 300 . 1 1 1 A 34 34 ASN C C 34 174.946 175.290 -0.344 1
1 301 . 1 1 1 A 34 34 ASN CA C 34 53.922 54.612 -0.690 1
1 302 . 1 1 1 A 34 34 ASN CB C 34 37.332 37.126 0.206 1
1 304 . 1 1 1 A 35 35 GLY H H 35 7.896 8.100 -0.204 1
1 305 . 1 1 1 A 35 35 GLY HA2 H 35 3.891 3.576 0.315 1
1 306 . 1 1 1 A 35 35 GLY HA3 H 35 3.180 3.613 -0.433 1
1 307 . 1 1 1 A 35 35 GLY C C 35 172.892 174.019 -1.127 1
1 308 . 1 1 1 A 35 35 GLY CA C 35 45.290 44.929 0.361 1
1 309 . 1 1 1 A 35 35 GLY N N 35 102.630 104.715 -2.085 1
1 310 . 1 1 1 A 36 36 HIS H H 36 7.694 7.336 0.358 1
1 311 . 1 1 1 A 36 36 HIS HA H 36 4.433 4.323 0.110 1
1 315 . 1 1 1 A 36 36 HIS C C 36 172.910 174.452 -1.542 1
1 316 . 1 1 1 A 36 36 HIS CA C 36 54.433 55.932 -1.499 1
1 317 . 1 1 1 A 36 36 HIS CB C 36 32.464 30.705 1.759 1
1 319 . 1 1 1 A 36 36 HIS N N 36 119.651 118.587 1.064 1
1 320 . 1 1 1 A 37 37 PHE H H 37 8.502 8.903 -0.401 1
1 321 . 1 1 1 A 37 37 PHE HA H 37 5.314 5.444 -0.130 1
1 329 . 1 1 1 A 37 37 PHE C C 37 174.239 174.341 -0.102 1
1 330 . 1 1 1 A 37 37 PHE CA C 37 56.424 55.970 0.454 1
1 331 . 1 1 1 A 37 37 PHE CB C 37 41.572 41.652 -0.080 1
1 337 . 1 1 1 A 37 37 PHE N N 37 119.583 120.365 -0.782 1
1 338 . 1 1 1 A 38 38 PHE H H 38 8.664 9.143 -0.479 1
1 339 . 1 1 1 A 38 38 PHE HA H 38 5.866 4.875 0.991 1
1 347 . 1 1 1 A 38 38 PHE C C 38 177.496 175.100 2.396 1
1 348 . 1 1 1 A 38 38 PHE CA C 38 55.296 56.303 -1.007 1
1 349 . 1 1 1 A 38 38 PHE CB C 38 44.392 43.001 1.391 1
1 355 . 1 1 1 A 38 38 PHE N N 38 116.719 119.842 -3.123 1
1 356 . 1 1 1 A 39 39 HIS H H 39 8.854 8.236 0.618 1
1 357 . 1 1 1 A 39 39 HIS HA H 39 4.675 4.688 -0.013 1
1 362 . 1 1 1 A 39 39 HIS C C 39 178.476 176.982 1.494 1
1 363 . 1 1 1 A 39 39 HIS CA C 39 59.297 56.620 2.677 1
1 364 . 1 1 1 A 39 39 HIS CB C 39 30.980 30.416 0.564 1
1 367 . 1 1 1 A 39 39 HIS N N 39 120.015 120.080 -0.065 1
1 368 . 1 1 1 A 40 40 ARG H H 40 9.256 8.989 0.267 1
1 369 . 1 1 1 A 40 40 ARG HA H 40 3.965 3.937 0.028 1
1 376 . 1 1 1 A 40 40 ARG C C 40 179.459 178.106 1.353 1
1 377 . 1 1 1 A 40 40 ARG CA C 40 60.547 59.927 0.620 1
1 378 . 1 1 1 A 40 40 ARG CB C 40 29.598 29.910 -0.312 1
1 381 . 1 1 1 A 40 40 ARG N N 40 126.206 123.476 2.730 1
1 382 . 1 1 1 A 41 41 SER H H 41 8.643 8.069 0.574 1
1 383 . 1 1 1 A 41 41 SER HA H 41 4.221 4.207 0.014 1
1 386 . 1 1 1 A 41 41 SER C C 41 175.499 175.893 -0.394 1
1 387 . 1 1 1 A 41 41 SER CA C 41 60.160 62.146 -1.986 1
1 388 . 1 1 1 A 41 41 SER CB C 41 62.847 63.602 -0.755 1
1 389 . 1 1 1 A 41 41 SER N N 41 109.970 116.379 -6.409 1
1 390 . 1 1 1 A 42 42 CYS H H 42 7.427 8.335 -0.908 1
1 391 . 1 1 1 A 42 42 CYS HA H 42 4.306 4.186 0.120 1
1 394 . 1 1 1 A 42 42 CYS C C 42 174.200 176.364 -2.164 1
1 395 . 1 1 1 A 42 42 CYS CA C 42 61.569 63.231 -1.662 1
1 396 . 1 1 1 A 42 42 CYS CB C 42 30.945 27.047 3.898 1
1 397 . 1 1 1 A 42 42 CYS N N 42 118.020 120.067 -2.047 1
1 398 . 1 1 1 A 43 43 PHE H H 43 7.257 7.831 -0.574 1
1 399 . 1 1 1 A 43 43 PHE HA H 43 4.122 4.178 -0.056 1
1 407 . 1 1 1 A 43 43 PHE C C 43 172.037 174.673 -2.636 1
1 408 . 1 1 1 A 43 43 PHE CA C 43 57.112 59.193 -2.081 1
1 409 . 1 1 1 A 43 43 PHE CB C 43 37.448 39.224 -1.776 1
1 415 . 1 1 1 A 43 43 PHE N N 43 122.965 120.605 2.360 1
1 416 . 1 1 1 A 44 44 ARG H H 44 7.110 8.318 -1.208 1
1 417 . 1 1 1 A 44 44 ARG HA H 44 4.821 4.742 0.079 1
1 424 . 1 1 1 A 44 44 ARG C C 44 174.097 174.834 -0.737 1
1 425 . 1 1 1 A 44 44 ARG CA C 44 53.323 53.380 -0.057 1
1 426 . 1 1 1 A 44 44 ARG CB C 44 34.911 34.392 0.519 1
1 429 . 1 1 1 A 44 44 ARG N N 44 123.199 125.575 -2.376 1
1 430 . 1 1 1 A 45 45 CYS H H 45 8.580 8.268 0.312 1
1 431 . 1 1 1 A 45 45 CYS HA H 45 4.055 4.516 -0.461 1
1 434 . 1 1 1 A 45 45 CYS C C 45 177.493 175.029 2.464 1
1 435 . 1 1 1 A 45 45 CYS CA C 45 59.878 59.480 0.398 1
1 436 . 1 1 1 A 45 45 CYS CB C 45 32.052 28.902 3.150 1
1 437 . 1 1 1 A 45 45 CYS N N 45 121.527 120.991 0.536 1
1 438 . 1 1 1 A 46 46 HIS H H 46 9.187 8.664 0.523 1
1 439 . 1 1 1 A 46 46 HIS HA H 46 4.184 4.543 -0.359 1
1 443 . 1 1 1 A 46 46 HIS C C 46 175.000 176.510 -1.510 1
1 444 . 1 1 1 A 46 46 HIS CA C 46 59.137 57.268 1.869 1
1 445 . 1 1 1 A 46 46 HIS CB C 46 29.560 30.580 -1.020 1
1 447 . 1 1 1 A 46 46 HIS N N 46 130.205 124.775 5.430 1
1 448 . 1 1 1 A 47 47 THR H H 47 8.848 7.578 1.270 1
1 449 . 1 1 1 A 47 47 THR HA H 47 4.134 4.398 -0.264 1
1 454 . 1 1 1 A 47 47 THR C C 47 174.926 175.836 -0.910 1
1 455 . 1 1 1 A 47 47 THR CA C 47 65.535 63.042 2.493 1
1 456 . 1 1 1 A 47 47 THR CB C 47 70.010 70.547 -0.537 1
1 458 . 1 1 1 A 47 47 THR N N 47 116.066 111.036 5.030 1
1 459 . 1 1 1 A 48 48 CYS H H 48 8.181 8.137 0.044 1
1 460 . 1 1 1 A 48 48 CYS HA H 48 4.821 4.595 0.226 1
1 463 . 1 1 1 A 48 48 CYS C C 48 176.004 175.210 0.794 1
1 464 . 1 1 1 A 48 48 CYS CA C 48 59.050 58.127 0.923 1
1 465 . 1 1 1 A 48 48 CYS CB C 48 32.944 29.307 3.637 1
1 466 . 1 1 1 A 48 48 CYS N N 48 119.626 116.479 3.147 1
1 467 . 1 1 1 A 49 49 GLU H H 49 8.081 8.131 -0.050 1
1 468 . 1 1 1 A 49 49 GLU HA H 49 3.865 4.362 -0.497 1
1 473 . 1 1 1 A 49 49 GLU C C 49 174.137 175.334 -1.197 1
1 474 . 1 1 1 A 49 49 GLU CA C 49 58.732 57.197 1.535 1
1 475 . 1 1 1 A 49 49 GLU CB C 49 27.345 27.357 -0.012 1
1 477 . 1 1 1 A 49 49 GLU N N 49 116.307 120.036 -3.729 1
1 478 . 1 1 1 A 50 50 ALA H H 50 8.498 7.809 0.689 1
1 479 . 1 1 1 A 50 50 ALA HA H 50 4.388 4.493 -0.105 1
1 483 . 1 1 1 A 50 50 ALA C C 50 178.362 176.811 1.551 1
1 484 . 1 1 1 A 50 50 ALA CA C 50 53.111 50.836 2.275 1
1 485 . 1 1 1 A 50 50 ALA CB C 50 20.334 20.424 -0.090 1
1 486 . 1 1 1 A 50 50 ALA N N 50 124.211 122.991 1.220 1
1 487 . 1 1 1 A 51 51 THR H H 51 8.470 8.422 0.048 1
1 488 . 1 1 1 A 51 51 THR HA H 51 3.811 3.875 -0.064 1
1 493 . 1 1 1 A 51 51 THR C C 51 173.931 173.741 0.190 1
1 494 . 1 1 1 A 51 51 THR CA C 51 64.345 63.659 0.686 1
1 495 . 1 1 1 A 51 51 THR CB C 51 69.428 68.219 1.209 1
1 497 . 1 1 1 A 51 51 THR N N 51 117.025 117.346 -0.321 1
1 498 . 1 1 1 A 52 52 LEU H H 52 7.421 8.077 -0.656 1
1 499 . 1 1 1 A 52 52 LEU HA H 52 4.439 4.511 -0.072 1
1 509 . 1 1 1 A 52 52 LEU C C 52 175.390 175.607 -0.217 1
1 510 . 1 1 1 A 52 52 LEU CA C 52 53.728 54.123 -0.395 1
1 511 . 1 1 1 A 52 52 LEU CB C 52 42.020 40.645 1.375 1
1 515 . 1 1 1 A 52 52 LEU N N 52 125.339 127.723 -2.384 1
1 516 . 1 1 1 A 53 53 TRP H H 53 8.089 8.049 0.040 1
1 517 . 1 1 1 A 53 53 TRP HA H 53 5.148 4.823 0.325 1
1 526 . 1 1 1 A 53 53 TRP C C 53 173.534 175.431 -1.897 1
1 527 . 1 1 1 A 53 53 TRP CA C 53 54.345 56.387 -2.042 1
1 528 . 1 1 1 A 53 53 TRP CB C 53 30.134 29.084 1.050 1
1 534 . 1 1 1 A 53 53 TRP N N 53 120.731 126.879 -6.148 1
1 536 . 1 1 1 A 54 54 PRO HA H 54 4.553 4.812 -0.259 1
1 543 . 1 1 1 A 54 54 PRO CA C 54 64.882 63.126 1.756 1
1 544 . 1 1 1 A 54 54 PRO CB C 54 31.969 29.802 2.167 1
1 547 . 1 1 1 A 55 55 GLY HA2 H 55 4.330 4.159 0.171 1
1 548 . 1 1 1 A 55 55 GLY HA3 H 55 3.795 4.176 -0.381 1
1 549 . 1 1 1 A 55 55 GLY C C 55 175.195 175.073 0.122 1
1 550 . 1 1 1 A 55 55 GLY CA C 55 45.586 45.493 0.093 1
1 551 . 1 1 1 A 56 56 GLY H H 56 8.653 8.267 0.386 1
1 552 . 1 1 1 A 56 56 GLY HA2 H 56 4.567 4.214 0.353 1
1 553 . 1 1 1 A 56 56 GLY HA3 H 56 3.380 4.290 -0.910 1
1 554 . 1 1 1 A 56 56 GLY C C 56 174.377 173.734 0.643 1
1 555 . 1 1 1 A 56 56 GLY CA C 56 45.237 45.751 -0.514 1
1 556 . 1 1 1 A 56 56 GLY N N 56 107.803 107.678 0.125 1
1 557 . 1 1 1 A 57 57 TYR H H 57 7.269 7.707 -0.438 1
1 558 . 1 1 1 A 57 57 TYR HA H 57 5.600 5.272 0.328 1
1 565 . 1 1 1 A 57 57 TYR C C 57 173.258 173.662 -0.404 1
1 566 . 1 1 1 A 57 57 TYR CA C 57 55.666 56.407 -0.741 1
1 567 . 1 1 1 A 57 57 TYR CB C 57 44.451 41.023 3.428 1
1 572 . 1 1 1 A 57 57 TYR N N 57 116.315 116.870 -0.555 1
1 573 . 1 1 1 A 58 58 GLU H H 58 8.948 9.006 -0.058 1
1 574 . 1 1 1 A 58 58 GLU HA H 58 4.546 4.772 -0.226 1
1 579 . 1 1 1 A 58 58 GLU C C 58 174.242 174.587 -0.345 1
1 580 . 1 1 1 A 58 58 GLU CA C 58 55.790 55.298 0.492 1
1 581 . 1 1 1 A 58 58 GLU CB C 58 35.177 34.375 0.802 1
1 583 . 1 1 1 A 58 58 GLU N N 58 117.931 119.335 -1.404 1
1 584 . 1 1 1 A 59 59 GLN H H 59 9.205 8.859 0.346 1
1 585 . 1 1 1 A 59 59 GLN HA H 59 4.760 4.960 -0.200 1
1 592 . 1 1 1 A 59 59 GLN C C 59 175.807 175.145 0.662 1
1 593 . 1 1 1 A 59 59 GLN CA C 59 53.904 54.278 -0.374 1
1 594 . 1 1 1 A 59 59 GLN CB C 59 29.530 29.399 0.131 1
1 596 . 1 1 1 A 59 59 GLN N N 59 123.928 123.500 0.428 1
1 598 . 1 1 1 A 60 60 HIS H H 60 9.330 8.969 0.361 1
1 599 . 1 1 1 A 60 60 HIS HA H 60 4.945 4.336 0.609 1
1 604 . 1 1 1 A 60 60 HIS C C 60 175.428 175.598 -0.170 1
1 605 . 1 1 1 A 60 60 HIS CA C 60 54.556 55.321 -0.765 1
1 606 . 1 1 1 A 60 60 HIS CB C 60 32.329 30.628 1.701 1
1 609 . 1 1 1 A 60 60 HIS N N 60 131.634 127.624 4.010 1
1 610 . 1 1 1 A 61 61 PRO HA H 61 4.269 4.100 0.169 1
1 617 . 1 1 1 A 61 61 PRO CA C 61 64.043 65.419 -1.376 1
1 618 . 1 1 1 A 61 61 PRO CB C 61 31.752 31.575 0.177 1
1 621 . 1 1 1 A 62 62 GLY H H 62 7.210 8.221 -1.011 1
1 622 . 1 1 1 A 62 62 GLY HA2 H 62 3.928 3.791 0.137 1
1 623 . 1 1 1 A 62 62 GLY HA3 H 62 3.666 3.948 -0.282 1
1 624 . 1 1 1 A 62 62 GLY CA C 62 46.610 47.235 -0.625 1
1 625 . 1 1 1 A 62 62 GLY N N 62 105.065 106.572 -1.507 1
1 626 . 1 1 1 A 63 63 ASP H H 63 8.237 8.085 0.152 1
1 627 . 1 1 1 A 63 63 ASP HA H 63 4.648 4.542 0.106 1
1 630 . 1 1 1 A 63 63 ASP C C 63 177.303 176.727 0.576 1
1 631 . 1 1 1 A 63 63 ASP CA C 63 53.182 56.243 -3.061 1
1 632 . 1 1 1 A 63 63 ASP CB C 63 42.216 41.428 0.788 1
1 633 . 1 1 1 A 63 63 ASP N N 63 118.685 123.204 -4.519 1
1 634 . 1 1 1 A 64 64 GLY H H 64 8.315 8.022 0.293 1
1 635 . 1 1 1 A 64 64 GLY HA2 H 64 3.900 3.938 -0.038 1
1 636 . 1 1 1 A 64 64 GLY HA3 H 64 3.635 3.958 -0.323 1
1 637 . 1 1 1 A 64 64 GLY C C 64 174.457 173.847 0.610 1
1 638 . 1 1 1 A 64 64 GLY CA C 64 46.004 45.164 0.840 1
1 639 . 1 1 1 A 64 64 GLY N N 64 109.742 108.498 1.244 1
1 640 . 1 1 1 A 65 65 HIS H H 65 9.101 8.008 1.093 1
1 641 . 1 1 1 A 65 65 HIS HA H 65 4.675 4.765 -0.090 1
1 645 . 1 1 1 A 65 65 HIS C C 65 173.603 173.599 0.004 1
1 646 . 1 1 1 A 65 65 HIS CA C 65 55.208 54.972 0.236 1
1 647 . 1 1 1 A 65 65 HIS CB C 65 30.321 33.665 -3.344 1
1 649 . 1 1 1 A 65 65 HIS N N 65 121.111 117.384 3.727 1
1 650 . 1 1 1 A 66 66 PHE H H 66 8.841 8.517 0.324 1
1 651 . 1 1 1 A 66 66 PHE HA H 66 5.005 5.326 -0.321 1
1 659 . 1 1 1 A 66 66 PHE C C 66 174.272 174.195 0.077 1
1 660 . 1 1 1 A 66 66 PHE CA C 66 57.904 56.196 1.708 1
1 661 . 1 1 1 A 66 66 PHE CB C 66 40.990 41.208 -0.218 1
1 667 . 1 1 1 A 66 66 PHE N N 66 118.465 117.616 0.849 1
1 668 . 1 1 1 A 67 67 TYR H H 67 8.714 9.272 -0.558 1
1 669 . 1 1 1 A 67 67 TYR HA H 67 5.676 5.127 0.549 1
1 676 . 1 1 1 A 67 67 TYR C C 67 176.345 175.881 0.464 1
1 677 . 1 1 1 A 67 67 TYR CA C 67 56.829 56.561 0.268 1
1 678 . 1 1 1 A 67 67 TYR CB C 67 43.668 43.081 0.587 1
1 683 . 1 1 1 A 67 67 TYR N N 67 117.828 121.582 -3.754 1
1 684 . 1 1 1 A 68 68 CYS H H 68 9.524 8.589 0.935 1
1 685 . 1 1 1 A 68 68 CYS HA H 68 5.152 4.810 0.342 1
1 688 . 1 1 1 A 68 68 CYS C C 68 176.563 176.086 0.477 1
1 689 . 1 1 1 A 68 68 CYS CA C 68 58.468 58.388 0.080 1
1 690 . 1 1 1 A 68 68 CYS CB C 68 29.373 29.687 -0.314 1
1 691 . 1 1 1 A 68 68 CYS N N 68 120.631 120.713 -0.082 1
1 692 . 1 1 1 A 69 69 LEU H H 69 7.630 8.761 -1.131 1
1 693 . 1 1 1 A 69 69 LEU HA H 69 3.952 4.386 -0.434 1
1 703 . 1 1 1 A 69 69 LEU C C 69 179.373 176.867 2.506 1
1 704 . 1 1 1 A 69 69 LEU CA C 69 58.080 55.473 2.607 1
1 705 . 1 1 1 A 69 69 LEU CB C 69 40.125 41.206 -1.081 1
1 709 . 1 1 1 A 69 69 LEU N N 69 117.279 122.746 -5.467 1
1 710 . 1 1 1 A 70 70 GLN H H 70 8.159 8.239 -0.080 1
1 711 . 1 1 1 A 70 70 GLN HA H 70 4.106 4.641 -0.535 1
1 718 . 1 1 1 A 70 70 GLN C C 70 177.094 177.031 0.063 1
1 719 . 1 1 1 A 70 70 GLN CA C 70 57.781 56.368 1.413 1
1 720 . 1 1 1 A 70 70 GLN CB C 70 28.537 31.007 -2.470 1
1 722 . 1 1 1 A 70 70 GLN N N 70 115.749 119.354 -3.605 1
1 724 . 1 1 1 A 71 71 HIS H H 71 7.651 7.704 -0.053 1
1 725 . 1 1 1 A 71 71 HIS HA H 71 4.917 4.783 0.134 1
1 730 . 1 1 1 A 71 71 HIS C C 71 173.431 174.950 -1.519 1
1 731 . 1 1 1 A 71 71 HIS CA C 71 56.142 56.025 0.117 1
1 732 . 1 1 1 A 71 71 HIS CB C 71 33.010 31.627 1.383 1
1 735 . 1 1 1 A 71 71 HIS N N 71 116.846 115.408 1.438 1
1 736 . 1 1 1 A 72 72 LEU H H 72 7.154 7.514 -0.360 1
1 737 . 1 1 1 A 72 72 LEU HA H 72 3.772 4.223 -0.451 1
1 747 . 1 1 1 A 72 72 LEU C C 72 174.748 175.062 -0.314 1
1 748 . 1 1 1 A 72 72 LEU CA C 72 53.499 53.295 0.204 1
1 749 . 1 1 1 A 72 72 LEU CB C 72 42.729 43.008 -0.279 1
1 753 . 1 1 1 A 72 72 LEU N N 72 124.029 122.263 1.766 1
1 754 . 1 1 1 A 73 73 PRO HA H 73 4.145 4.459 -0.314 1
1 761 . 1 1 1 A 73 73 PRO C C 73 175.785 175.389 0.396 1
1 762 . 1 1 1 A 73 73 PRO CA C 73 63.050 62.112 0.938 1
1 763 . 1 1 1 A 73 73 PRO CB C 73 32.055 32.801 -0.746 1
1 766 . 1 1 1 A 74 74 GLN H H 74 8.359 8.513 -0.154 1
1 767 . 1 1 1 A 74 74 GLN HA H 74 4.386 5.119 -0.733 1
1 774 . 1 1 1 A 74 74 GLN C C 74 176.731 175.666 1.065 1
1 775 . 1 1 1 A 74 74 GLN CA C 74 55.526 54.490 1.036 1
1 776 . 1 1 1 A 74 74 GLN CB C 74 29.817 32.765 -2.948 1
1 778 . 1 1 1 A 74 74 GLN N N 74 120.467 118.415 2.052 1
1 780 . 1 1 1 A 75 75 THR H H 75 8.368 8.724 -0.356 1
1 781 . 1 1 1 A 75 75 THR HA H 75 4.390 4.334 0.056 1
1 786 . 1 1 1 A 75 75 THR C C 75 174.257 174.415 -0.158 1
1 787 . 1 1 1 A 75 75 THR CA C 75 61.993 62.653 -0.660 1
1 788 . 1 1 1 A 75 75 THR CB C 75 69.991 69.381 0.610 1
1 790 . 1 1 1 A 75 75 THR N N 75 116.318 117.200 -0.882 1
1 791 . 1 1 1 A 76 76 ASP H H 76 8.528 8.710 -0.182 1
1 792 . 1 1 1 A 76 76 ASP HA H 76 4.700 5.379 -0.679 1
1 795 . 1 1 1 A 76 76 ASP C C 76 176.200 175.325 0.875 1
1 796 . 1 1 1 A 76 76 ASP CA C 76 54.363 52.695 1.668 1
1 797 . 1 1 1 A 76 76 ASP CB C 76 41.362 42.641 -1.279 1
1 798 . 1 1 1 A 76 76 ASP N N 76 123.204 124.430 -1.226 1
1 799 . 1 1 1 A 77 77 SER H H 77 8.346 8.588 -0.242 1
1 800 . 1 1 1 A 77 77 SER HA H 77 4.497 4.936 -0.439 1
1 803 . 1 1 1 A 77 77 SER C C 77 174.724 173.655 1.069 1
1 804 . 1 1 1 A 77 77 SER CA C 77 58.451 57.679 0.772 1
1 805 . 1 1 1 A 77 77 SER CB C 77 64.101 66.941 -2.840 1
1 806 . 1 1 1 A 77 77 SER N N 77 116.515 117.363 -0.848 1
1 807 . 1 1 1 A 78 78 GLY H H 78 8.330 8.569 -0.239 1
1 808 . 1 1 1 A 78 78 GLY HA2 H 78 4.135 3.973 0.162 1
1 809 . 1 1 1 A 78 78 GLY HA3 H 78 4.135 3.973 0.162 1
1 810 . 1 1 1 A 78 78 GLY C C 78 171.883 174.711 -2.828 1
1 811 . 1 1 1 A 78 78 GLY CA C 78 44.745 45.673 -0.928 1
1 812 . 1 1 1 A 78 78 GLY N N 78 110.837 110.569 0.268 1
1 813 . 1 1 1 A 79 79 PRO HA H 79 4.501 4.319 0.182 1
1 820 . 1 1 1 A 79 79 PRO C C 79 177.463 177.122 0.341 1
1 821 . 1 1 1 A 79 79 PRO CA C 79 63.332 64.853 -1.521 1
1 822 . 1 1 1 A 79 79 PRO CB C 79 32.229 31.869 0.360 1
1 825 . 1 1 1 A 80 80 SER H H 80 8.531 8.067 0.464 1
1 826 . 1 1 1 A 80 80 SER HA H 80 4.521 4.159 0.362 1
1 829 . 1 1 1 A 80 80 SER C C 80 174.760 173.541 1.219 1
1 830 . 1 1 1 A 80 80 SER CA C 80 58.398 58.842 -0.444 1
1 831 . 1 1 1 A 80 80 SER CB C 80 63.978 61.389 2.589 1
1 832 . 1 1 1 A 80 80 SER N N 80 116.479 112.772 3.707 1
1 833 . 1 1 1 A 81 81 SER H H 81 8.358 8.085 0.273 1
1 834 . 1 1 1 A 81 81 SER HA H 81 4.530 4.750 -0.220 1
1 837 . 1 1 1 A 81 81 SER C C 81 173.982 174.160 -0.178 1
1 838 . 1 1 1 A 81 81 SER CA C 81 58.416 57.739 0.677 1
1 839 . 1 1 1 A 81 81 SER CB C 81 64.082 64.916 -0.834 1
1 840 . 1 1 1 A 81 81 SER N N 81 117.964 115.796 2.168 1
1 1 . 2 1 1 A 9 9 HIS HA H 9 4.627 4.981 -0.354 1
1 5 . 2 1 1 A 9 9 HIS C C 9 175.239 172.693 2.546 1
1 6 . 2 1 1 A 9 9 HIS CA C 9 56.347 56.449 -0.102 1
1 7 . 2 1 1 A 9 9 HIS CB C 9 30.681 33.413 -2.732 1
1 9 . 2 1 1 A 10 10 GLN H H 10 8.313 8.028 0.285 1
1 10 . 2 1 1 A 10 10 GLN HA H 10 4.323 4.738 -0.415 1
1 17 . 2 1 1 A 10 10 GLN C C 10 175.703 173.542 2.161 1
1 18 . 2 1 1 A 10 10 GLN CA C 10 55.875 54.241 1.634 1
1 19 . 2 1 1 A 10 10 GLN CB C 10 29.726 31.643 -1.917 1
1 21 . 2 1 1 A 10 10 GLN N N 10 122.031 125.519 -3.488 1
1 23 . 2 1 1 A 11 11 GLU H H 11 8.546 9.260 -0.714 1
1 24 . 2 1 1 A 11 11 GLU HA H 11 4.275 4.910 -0.635 1
1 29 . 2 1 1 A 11 11 GLU C C 11 176.303 175.070 1.233 1
1 30 . 2 1 1 A 11 11 GLU CA C 11 56.472 55.895 0.577 1
1 31 . 2 1 1 A 11 11 GLU CB C 11 30.303 31.827 -1.524 1
1 33 . 2 1 1 A 11 11 GLU N N 11 122.648 128.706 -6.058 1
1 34 . 2 1 1 A 12 12 ALA H H 12 8.403 8.734 -0.331 1
1 35 . 2 1 1 A 12 12 ALA HA H 12 4.288 5.160 -0.872 1
1 39 . 2 1 1 A 12 12 ALA C C 12 178.231 176.273 1.958 1
1 40 . 2 1 1 A 12 12 ALA CA C 12 52.759 51.342 1.417 1
1 41 . 2 1 1 A 12 12 ALA CB C 12 19.237 23.025 -3.788 1
1 42 . 2 1 1 A 12 12 ALA N N 12 125.516 125.975 -0.459 1
1 43 . 2 1 1 A 13 13 GLY H H 13 8.490 8.456 0.034 1
1 44 . 2 1 1 A 13 13 GLY HA2 H 13 3.994 4.153 -0.159 1
1 45 . 2 1 1 A 13 13 GLY HA3 H 13 3.890 4.157 -0.267 1
1 46 . 2 1 1 A 13 13 GLY C C 13 174.176 171.759 2.417 1
1 47 . 2 1 1 A 13 13 GLY CA C 13 45.094 45.929 -0.835 1
1 48 . 2 1 1 A 13 13 GLY N N 13 108.839 107.705 1.134 1
1 49 . 2 1 1 A 14 14 ALA H H 14 8.172 8.469 -0.297 1
1 50 . 2 1 1 A 14 14 ALA HA H 14 4.246 4.996 -0.750 1
1 54 . 2 1 1 A 14 14 ALA C C 14 178.304 177.784 0.520 1
1 55 . 2 1 1 A 14 14 ALA CA C 14 52.988 50.664 2.324 1
1 56 . 2 1 1 A 14 14 ALA CB C 14 19.228 22.205 -2.977 1
1 57 . 2 1 1 A 14 14 ALA N N 14 123.459 124.967 -1.508 1
1 58 . 2 1 1 A 15 15 GLY H H 15 8.329 8.481 -0.152 1
1 59 . 2 1 1 A 15 15 GLY HA2 H 15 3.578 3.938 -0.360 1
1 60 . 2 1 1 A 15 15 GLY HA3 H 15 3.578 3.967 -0.389 1
1 61 . 2 1 1 A 15 15 GLY C C 15 173.577 173.983 -0.406 1
1 62 . 2 1 1 A 15 15 GLY CA C 15 45.128 46.067 -0.939 1
1 63 . 2 1 1 A 15 15 GLY N N 15 107.276 108.505 -1.229 1
1 64 . 2 1 1 A 16 16 ASP H H 16 7.898 7.723 0.175 1
1 65 . 2 1 1 A 16 16 ASP HA H 16 4.547 4.589 -0.042 1
1 68 . 2 1 1 A 16 16 ASP C C 16 174.898 174.169 0.729 1
1 69 . 2 1 1 A 16 16 ASP CA C 16 54.344 53.091 1.253 1
1 70 . 2 1 1 A 16 16 ASP CB C 16 41.534 41.185 0.349 1
1 71 . 2 1 1 A 16 16 ASP N N 16 118.642 119.359 -0.717 1
1 72 . 2 1 1 A 17 17 LEU H H 17 7.822 7.371 0.451 1
1 73 . 2 1 1 A 17 17 LEU HA H 17 4.446 4.745 -0.299 1
1 83 . 2 1 1 A 17 17 LEU C C 17 175.902 175.634 0.268 1
1 84 . 2 1 1 A 17 17 LEU CA C 17 53.128 53.000 0.128 1
1 85 . 2 1 1 A 17 17 LEU CB C 17 44.656 45.236 -0.580 1
1 89 . 2 1 1 A 17 17 LEU N N 17 119.654 120.273 -0.619 1
1 90 . 2 1 1 A 18 18 CYS H H 18 8.080 8.298 -0.218 1
1 91 . 2 1 1 A 18 18 CYS HA H 18 4.248 4.088 0.160 1
1 94 . 2 1 1 A 18 18 CYS C C 18 177.466 175.543 1.923 1
1 95 . 2 1 1 A 18 18 CYS CA C 18 58.398 59.463 -1.065 1
1 96 . 2 1 1 A 18 18 CYS CB C 18 31.990 28.104 3.886 1
1 97 . 2 1 1 A 18 18 CYS N N 18 123.013 124.327 -1.314 1
1 98 . 2 1 1 A 19 19 ALA H H 19 9.211 8.360 0.851 1
1 99 . 2 1 1 A 19 19 ALA HA H 19 4.172 4.053 0.119 1
1 103 . 2 1 1 A 19 19 ALA C C 19 177.724 179.402 -1.678 1
1 104 . 2 1 1 A 19 19 ALA CA C 19 54.327 53.306 1.021 1
1 105 . 2 1 1 A 19 19 ALA CB C 19 18.662 18.918 -0.256 1
1 106 . 2 1 1 A 19 19 ALA N N 19 132.258 129.210 3.048 1
1 107 . 2 1 1 A 20 20 LEU H H 20 8.911 7.776 1.135 1
1 108 . 2 1 1 A 20 20 LEU HA H 20 4.736 4.016 0.720 1
1 118 . 2 1 1 A 20 20 LEU C C 20 177.779 178.793 -1.014 1
1 119 . 2 1 1 A 20 20 LEU CA C 20 56.935 57.959 -1.024 1
1 120 . 2 1 1 A 20 20 LEU CB C 20 43.750 42.155 1.595 1
1 124 . 2 1 1 A 20 20 LEU N N 20 119.770 119.803 -0.033 1
1 125 . 2 1 1 A 21 21 CYS H H 21 8.159 7.301 0.858 1
1 126 . 2 1 1 A 21 21 CYS HA H 21 4.962 4.514 0.448 1
1 129 . 2 1 1 A 21 21 CYS C C 21 176.947 175.420 1.527 1
1 130 . 2 1 1 A 21 21 CYS CA C 21 59.137 59.850 -0.713 1
1 131 . 2 1 1 A 21 21 CYS CB C 21 31.728 29.146 2.582 1
1 132 . 2 1 1 A 21 21 CYS N N 21 116.713 113.577 3.136 1
1 133 . 2 1 1 A 22 22 GLY H H 22 8.088 8.088 0.000 1
1 134 . 2 1 1 A 22 22 GLY HA2 H 22 4.160 3.918 0.242 1
1 135 . 2 1 1 A 22 22 GLY HA3 H 22 3.865 3.958 -0.093 1
1 136 . 2 1 1 A 22 22 GLY C C 22 173.190 174.021 -0.831 1
1 137 . 2 1 1 A 22 22 GLY CA C 22 46.556 45.489 1.067 1
1 138 . 2 1 1 A 22 22 GLY N N 22 112.000 110.168 1.832 1
1 139 . 2 1 1 A 23 23 GLU H H 23 8.378 7.910 0.468 1
1 140 . 2 1 1 A 23 23 GLU HA H 23 4.712 4.743 -0.031 1
1 145 . 2 1 1 A 23 23 GLU C C 23 176.434 175.611 0.823 1
1 146 . 2 1 1 A 23 23 GLU CA C 23 55.014 54.676 0.338 1
1 147 . 2 1 1 A 23 23 GLU CB C 23 31.557 31.759 -0.202 1
1 149 . 2 1 1 A 23 23 GLU N N 23 118.877 119.224 -0.347 1
1 150 . 2 1 1 A 24 24 HIS H H 24 8.666 8.824 -0.158 1
1 151 . 2 1 1 A 24 24 HIS HA H 24 4.333 4.498 -0.165 1
1 156 . 2 1 1 A 24 24 HIS C C 24 175.281 174.098 1.183 1
1 157 . 2 1 1 A 24 24 HIS CA C 24 58.186 57.925 0.261 1
1 158 . 2 1 1 A 24 24 HIS CB C 24 30.099 30.646 -0.547 1
1 161 . 2 1 1 A 24 24 HIS N N 24 118.732 121.689 -2.957 1
1 162 . 2 1 1 A 25 25 LEU H H 25 7.928 8.206 -0.278 1
1 163 . 2 1 1 A 25 25 LEU HA H 25 4.174 5.271 -1.097 1
1 173 . 2 1 1 A 25 25 LEU C C 25 175.186 175.146 0.040 1
1 174 . 2 1 1 A 25 25 LEU CA C 25 53.992 53.846 0.146 1
1 175 . 2 1 1 A 25 25 LEU CB C 25 43.742 44.835 -1.093 1
1 179 . 2 1 1 A 25 25 LEU N N 25 125.590 126.154 -0.564 1
1 180 . 2 1 1 A 26 26 TYR H H 26 8.768 9.084 -0.316 1
1 181 . 2 1 1 A 26 26 TYR HA H 26 4.651 5.072 -0.421 1
1 188 . 2 1 1 A 26 26 TYR C C 26 177.267 177.508 -0.241 1
1 189 . 2 1 1 A 26 26 TYR CA C 26 57.270 56.333 0.937 1
1 190 . 2 1 1 A 26 26 TYR CB C 26 38.210 40.858 -2.648 1
1 195 . 2 1 1 A 26 26 TYR N N 26 123.119 123.843 -0.724 1
1 196 . 2 1 1 A 27 27 VAL H H 27 8.086 8.083 0.003 1
1 197 . 2 1 1 A 27 27 VAL HA H 27 3.809 3.656 0.153 1
1 205 . 2 1 1 A 27 27 VAL C C 27 176.958 176.049 0.909 1
1 206 . 2 1 1 A 27 27 VAL CA C 27 64.551 64.843 -0.292 1
1 207 . 2 1 1 A 27 27 VAL CB C 27 31.788 31.006 0.782 1
1 210 . 2 1 1 A 27 27 VAL N N 27 121.055 124.612 -3.557 1
1 211 . 2 1 1 A 28 28 LEU H H 28 7.665 7.139 0.526 1
1 212 . 2 1 1 A 28 28 LEU HA H 28 4.285 4.251 0.034 1
1 222 . 2 1 1 A 28 28 LEU C C 28 177.710 177.831 -0.121 1
1 223 . 2 1 1 A 28 28 LEU CA C 28 56.297 56.264 0.033 1
1 224 . 2 1 1 A 28 28 LEU CB C 28 41.998 43.539 -1.541 1
1 228 . 2 1 1 A 28 28 LEU N N 28 119.062 120.359 -1.297 1
1 229 . 2 1 1 A 29 29 GLU H H 29 7.961 8.072 -0.111 1
1 230 . 2 1 1 A 29 29 GLU HA H 29 4.479 4.478 0.001 1
1 235 . 2 1 1 A 29 29 GLU C C 29 175.755 174.945 0.810 1
1 236 . 2 1 1 A 29 29 GLU CA C 29 56.248 56.502 -0.254 1
1 237 . 2 1 1 A 29 29 GLU CB C 29 30.550 28.383 2.167 1
1 239 . 2 1 1 A 29 29 GLU N N 29 117.067 116.482 0.585 1
1 240 . 2 1 1 A 30 30 ARG H H 30 7.724 8.179 -0.455 1
1 241 . 2 1 1 A 30 30 ARG HA H 30 4.688 5.289 -0.601 1
1 248 . 2 1 1 A 30 30 ARG C C 30 174.546 174.130 0.416 1
1 249 . 2 1 1 A 30 30 ARG CA C 30 55.948 54.908 1.040 1
1 250 . 2 1 1 A 30 30 ARG CB C 30 33.034 33.566 -0.532 1
1 253 . 2 1 1 A 30 30 ARG N N 30 120.305 117.375 2.930 1
1 254 . 2 1 1 A 31 31 LEU H H 31 8.970 9.197 -0.227 1
1 255 . 2 1 1 A 31 31 LEU HA H 31 4.635 4.741 -0.106 1
1 265 . 2 1 1 A 31 31 LEU C C 31 174.536 176.074 -1.538 1
1 266 . 2 1 1 A 31 31 LEU CA C 31 54.168 53.663 0.505 1
1 267 . 2 1 1 A 31 31 LEU CB C 31 45.021 42.902 2.119 1
1 271 . 2 1 1 A 31 31 LEU N N 31 124.553 124.714 -0.161 1
1 272 . 2 1 1 A 32 32 CYS H H 32 8.558 8.328 0.230 1
1 273 . 2 1 1 A 32 32 CYS HA H 32 4.954 4.116 0.838 1
1 276 . 2 1 1 A 32 32 CYS C C 32 174.418 173.932 0.486 1
1 277 . 2 1 1 A 32 32 CYS CA C 32 56.874 58.167 -1.293 1
1 278 . 2 1 1 A 32 32 CYS CB C 32 28.054 27.146 0.908 1
1 279 . 2 1 1 A 32 32 CYS N N 32 124.126 124.249 -0.123 1
1 280 . 2 1 1 A 33 33 VAL H H 33 8.893 8.905 -0.012 1
1 281 . 2 1 1 A 33 33 VAL HA H 33 4.103 4.407 -0.304 1
1 289 . 2 1 1 A 33 33 VAL C C 33 175.525 175.933 -0.408 1
1 290 . 2 1 1 A 33 33 VAL CA C 33 61.551 61.023 0.528 1
1 291 . 2 1 1 A 33 33 VAL CB C 33 34.027 33.079 0.948 1
1 294 . 2 1 1 A 33 33 VAL N N 33 129.037 125.380 3.657 1
1 295 . 2 1 1 A 34 34 ASN HA H 34 4.389 4.389 0.000 1
1 300 . 2 1 1 A 34 34 ASN C C 34 174.946 175.257 -0.311 1
1 301 . 2 1 1 A 34 34 ASN CA C 34 53.922 54.757 -0.835 1
1 302 . 2 1 1 A 34 34 ASN CB C 34 37.332 37.354 -0.022 1
1 304 . 2 1 1 A 35 35 GLY H H 35 7.896 8.031 -0.135 1
1 305 . 2 1 1 A 35 35 GLY HA2 H 35 3.891 3.686 0.205 1
1 306 . 2 1 1 A 35 35 GLY HA3 H 35 3.180 3.696 -0.516 1
1 307 . 2 1 1 A 35 35 GLY C C 35 172.892 174.165 -1.273 1
1 308 . 2 1 1 A 35 35 GLY CA C 35 45.290 44.930 0.360 1
1 309 . 2 1 1 A 35 35 GLY N N 35 102.630 104.288 -1.658 1
1 310 . 2 1 1 A 36 36 HIS H H 36 7.694 7.112 0.582 1
1 311 . 2 1 1 A 36 36 HIS HA H 36 4.433 4.492 -0.059 1
1 315 . 2 1 1 A 36 36 HIS C C 36 172.910 174.590 -1.680 1
1 316 . 2 1 1 A 36 36 HIS CA C 36 54.433 56.553 -2.120 1
1 317 . 2 1 1 A 36 36 HIS CB C 36 32.464 30.573 1.891 1
1 319 . 2 1 1 A 36 36 HIS N N 36 119.651 118.367 1.284 1
1 320 . 2 1 1 A 37 37 PHE H H 37 8.502 9.117 -0.615 1
1 321 . 2 1 1 A 37 37 PHE HA H 37 5.314 5.575 -0.261 1
1 329 . 2 1 1 A 37 37 PHE C C 37 174.239 174.560 -0.321 1
1 330 . 2 1 1 A 37 37 PHE CA C 37 56.424 56.126 0.298 1
1 331 . 2 1 1 A 37 37 PHE CB C 37 41.572 41.725 -0.153 1
1 337 . 2 1 1 A 37 37 PHE N N 37 119.583 121.061 -1.478 1
1 338 . 2 1 1 A 38 38 PHE H H 38 8.664 9.200 -0.536 1
1 339 . 2 1 1 A 38 38 PHE HA H 38 5.866 4.936 0.930 1
1 347 . 2 1 1 A 38 38 PHE C C 38 177.496 175.074 2.422 1
1 348 . 2 1 1 A 38 38 PHE CA C 38 55.296 56.337 -1.041 1
1 349 . 2 1 1 A 38 38 PHE CB C 38 44.392 43.395 0.997 1
1 355 . 2 1 1 A 38 38 PHE N N 38 116.719 119.698 -2.979 1
1 356 . 2 1 1 A 39 39 HIS H H 39 8.854 8.445 0.409 1
1 357 . 2 1 1 A 39 39 HIS HA H 39 4.675 4.768 -0.093 1
1 362 . 2 1 1 A 39 39 HIS C C 39 178.476 176.764 1.712 1
1 363 . 2 1 1 A 39 39 HIS CA C 39 59.297 56.818 2.479 1
1 364 . 2 1 1 A 39 39 HIS CB C 39 30.980 30.543 0.437 1
1 367 . 2 1 1 A 39 39 HIS N N 39 120.015 119.019 0.996 1
1 368 . 2 1 1 A 40 40 ARG H H 40 9.256 9.280 -0.024 1
1 369 . 2 1 1 A 40 40 ARG HA H 40 3.965 4.131 -0.166 1
1 376 . 2 1 1 A 40 40 ARG C C 40 179.459 177.114 2.345 1
1 377 . 2 1 1 A 40 40 ARG CA C 40 60.547 58.660 1.887 1
1 378 . 2 1 1 A 40 40 ARG CB C 40 29.598 29.889 -0.291 1
1 381 . 2 1 1 A 40 40 ARG N N 40 126.206 124.090 2.116 1
1 382 . 2 1 1 A 41 41 SER H H 41 8.643 7.942 0.701 1
1 383 . 2 1 1 A 41 41 SER HA H 41 4.221 4.376 -0.155 1
1 386 . 2 1 1 A 41 41 SER C C 41 175.499 175.787 -0.288 1
1 387 . 2 1 1 A 41 41 SER CA C 41 60.160 61.849 -1.689 1
1 388 . 2 1 1 A 41 41 SER CB C 41 62.847 63.974 -1.127 1
1 389 . 2 1 1 A 41 41 SER N N 41 109.970 114.807 -4.837 1
1 390 . 2 1 1 A 42 42 CYS H H 42 7.427 8.415 -0.988 1
1 391 . 2 1 1 A 42 42 CYS HA H 42 4.306 4.120 0.186 1
1 394 . 2 1 1 A 42 42 CYS C C 42 174.200 176.041 -1.841 1
1 395 . 2 1 1 A 42 42 CYS CA C 42 61.569 63.400 -1.831 1
1 396 . 2 1 1 A 42 42 CYS CB C 42 30.945 26.876 4.069 1
1 397 . 2 1 1 A 42 42 CYS N N 42 118.020 119.839 -1.819 1
1 398 . 2 1 1 A 43 43 PHE H H 43 7.257 7.660 -0.403 1
1 399 . 2 1 1 A 43 43 PHE HA H 43 4.122 4.225 -0.103 1
1 407 . 2 1 1 A 43 43 PHE C C 43 172.037 174.595 -2.558 1
1 408 . 2 1 1 A 43 43 PHE CA C 43 57.112 59.286 -2.174 1
1 409 . 2 1 1 A 43 43 PHE CB C 43 37.448 39.136 -1.688 1
1 415 . 2 1 1 A 43 43 PHE N N 43 122.965 120.517 2.448 1
1 416 . 2 1 1 A 44 44 ARG H H 44 7.110 8.320 -1.210 1
1 417 . 2 1 1 A 44 44 ARG HA H 44 4.821 4.875 -0.054 1
1 424 . 2 1 1 A 44 44 ARG C C 44 174.097 174.700 -0.603 1
1 425 . 2 1 1 A 44 44 ARG CA C 44 53.323 53.394 -0.071 1
1 426 . 2 1 1 A 44 44 ARG CB C 44 34.911 34.559 0.352 1
1 429 . 2 1 1 A 44 44 ARG N N 44 123.199 125.569 -2.370 1
1 430 . 2 1 1 A 45 45 CYS H H 45 8.580 8.402 0.178 1
1 431 . 2 1 1 A 45 45 CYS HA H 45 4.055 4.486 -0.431 1
1 434 . 2 1 1 A 45 45 CYS C C 45 177.493 175.292 2.201 1
1 435 . 2 1 1 A 45 45 CYS CA C 45 59.878 59.783 0.095 1
1 436 . 2 1 1 A 45 45 CYS CB C 45 32.052 28.958 3.094 1
1 437 . 2 1 1 A 45 45 CYS N N 45 121.527 121.150 0.377 1
1 438 . 2 1 1 A 46 46 HIS H H 46 9.187 8.656 0.531 1
1 439 . 2 1 1 A 46 46 HIS HA H 46 4.184 4.515 -0.331 1
1 443 . 2 1 1 A 46 46 HIS C C 46 175.000 176.199 -1.199 1
1 444 . 2 1 1 A 46 46 HIS CA C 46 59.137 57.187 1.950 1
1 445 . 2 1 1 A 46 46 HIS CB C 46 29.560 30.200 -0.640 1
1 447 . 2 1 1 A 46 46 HIS N N 46 130.205 125.182 5.023 1
1 448 . 2 1 1 A 47 47 THR H H 47 8.848 7.606 1.242 1
1 449 . 2 1 1 A 47 47 THR HA H 47 4.134 4.382 -0.248 1
1 454 . 2 1 1 A 47 47 THR C C 47 174.926 176.003 -1.077 1
1 455 . 2 1 1 A 47 47 THR CA C 47 65.535 63.827 1.708 1
1 456 . 2 1 1 A 47 47 THR CB C 47 70.010 70.625 -0.615 1
1 458 . 2 1 1 A 47 47 THR N N 47 116.066 111.747 4.319 1
1 459 . 2 1 1 A 48 48 CYS H H 48 8.181 8.207 -0.026 1
1 460 . 2 1 1 A 48 48 CYS HA H 48 4.821 4.533 0.288 1
1 463 . 2 1 1 A 48 48 CYS C C 48 176.004 174.631 1.373 1
1 464 . 2 1 1 A 48 48 CYS CA C 48 59.050 58.318 0.732 1
1 465 . 2 1 1 A 48 48 CYS CB C 48 32.944 28.527 4.417 1
1 466 . 2 1 1 A 48 48 CYS N N 48 119.626 115.885 3.741 1
1 467 . 2 1 1 A 49 49 GLU H H 49 8.081 7.971 0.110 1
1 468 . 2 1 1 A 49 49 GLU HA H 49 3.865 4.203 -0.338 1
1 473 . 2 1 1 A 49 49 GLU C C 49 174.137 174.668 -0.531 1
1 474 . 2 1 1 A 49 49 GLU CA C 49 58.732 57.521 1.211 1
1 475 . 2 1 1 A 49 49 GLU CB C 49 27.345 27.173 0.172 1
1 477 . 2 1 1 A 49 49 GLU N N 49 116.307 116.933 -0.626 1
1 478 . 2 1 1 A 50 50 ALA H H 50 8.498 7.797 0.701 1
1 479 . 2 1 1 A 50 50 ALA HA H 50 4.388 4.635 -0.247 1
1 483 . 2 1 1 A 50 50 ALA C C 50 178.362 176.942 1.420 1
1 484 . 2 1 1 A 50 50 ALA CA C 50 53.111 50.503 2.608 1
1 485 . 2 1 1 A 50 50 ALA CB C 50 20.334 20.780 -0.446 1
1 486 . 2 1 1 A 50 50 ALA N N 50 124.211 120.853 3.358 1
1 487 . 2 1 1 A 51 51 THR H H 51 8.470 8.496 -0.026 1
1 488 . 2 1 1 A 51 51 THR HA H 51 3.811 3.923 -0.112 1
1 493 . 2 1 1 A 51 51 THR C C 51 173.931 173.729 0.202 1
1 494 . 2 1 1 A 51 51 THR CA C 51 64.345 63.827 0.518 1
1 495 . 2 1 1 A 51 51 THR CB C 51 69.428 68.085 1.343 1
1 497 . 2 1 1 A 51 51 THR N N 51 117.025 116.702 0.323 1
1 498 . 2 1 1 A 52 52 LEU H H 52 7.421 8.111 -0.690 1
1 499 . 2 1 1 A 52 52 LEU HA H 52 4.439 4.561 -0.122 1
1 509 . 2 1 1 A 52 52 LEU C C 52 175.390 175.654 -0.264 1
1 510 . 2 1 1 A 52 52 LEU CA C 52 53.728 54.170 -0.442 1
1 511 . 2 1 1 A 52 52 LEU CB C 52 42.020 40.715 1.305 1
1 515 . 2 1 1 A 52 52 LEU N N 52 125.339 127.837 -2.498 1
1 516 . 2 1 1 A 53 53 TRP H H 53 8.089 8.135 -0.046 1
1 517 . 2 1 1 A 53 53 TRP HA H 53 5.148 4.810 0.338 1
1 526 . 2 1 1 A 53 53 TRP C C 53 173.534 175.368 -1.834 1
1 527 . 2 1 1 A 53 53 TRP CA C 53 54.345 56.366 -2.021 1
1 528 . 2 1 1 A 53 53 TRP CB C 53 30.134 29.082 1.052 1
1 534 . 2 1 1 A 53 53 TRP N N 53 120.731 126.870 -6.139 1
1 536 . 2 1 1 A 54 54 PRO HA H 54 4.553 4.781 -0.228 1
1 543 . 2 1 1 A 54 54 PRO CA C 54 64.882 63.099 1.783 1
1 544 . 2 1 1 A 54 54 PRO CB C 54 31.969 29.790 2.179 1
1 547 . 2 1 1 A 55 55 GLY HA2 H 55 4.330 4.118 0.212 1
1 548 . 2 1 1 A 55 55 GLY HA3 H 55 3.795 4.134 -0.339 1
1 549 . 2 1 1 A 55 55 GLY C C 55 175.195 175.117 0.078 1
1 550 . 2 1 1 A 55 55 GLY CA C 55 45.586 45.494 0.092 1
1 551 . 2 1 1 A 56 56 GLY H H 56 8.653 8.246 0.407 1
1 552 . 2 1 1 A 56 56 GLY HA2 H 56 4.567 4.135 0.432 1
1 553 . 2 1 1 A 56 56 GLY HA3 H 56 3.380 4.206 -0.826 1
1 554 . 2 1 1 A 56 56 GLY C C 56 174.377 173.535 0.842 1
1 555 . 2 1 1 A 56 56 GLY CA C 56 45.237 45.770 -0.533 1
1 556 . 2 1 1 A 56 56 GLY N N 56 107.803 107.861 -0.058 1
1 557 . 2 1 1 A 57 57 TYR H H 57 7.269 7.677 -0.408 1
1 558 . 2 1 1 A 57 57 TYR HA H 57 5.600 5.302 0.298 1
1 565 . 2 1 1 A 57 57 TYR C C 57 173.258 173.660 -0.402 1
1 566 . 2 1 1 A 57 57 TYR CA C 57 55.666 56.416 -0.750 1
1 567 . 2 1 1 A 57 57 TYR CB C 57 44.451 41.035 3.416 1
1 572 . 2 1 1 A 57 57 TYR N N 57 116.315 117.019 -0.704 1
1 573 . 2 1 1 A 58 58 GLU H H 58 8.948 8.980 -0.032 1
1 574 . 2 1 1 A 58 58 GLU HA H 58 4.546 4.781 -0.235 1
1 579 . 2 1 1 A 58 58 GLU C C 58 174.242 174.577 -0.335 1
1 580 . 2 1 1 A 58 58 GLU CA C 58 55.790 55.377 0.413 1
1 581 . 2 1 1 A 58 58 GLU CB C 58 35.177 34.357 0.820 1
1 583 . 2 1 1 A 58 58 GLU N N 58 117.931 119.062 -1.131 1
1 584 . 2 1 1 A 59 59 GLN H H 59 9.205 8.828 0.377 1
1 585 . 2 1 1 A 59 59 GLN HA H 59 4.760 4.946 -0.186 1
1 592 . 2 1 1 A 59 59 GLN C C 59 175.807 175.306 0.501 1
1 593 . 2 1 1 A 59 59 GLN CA C 59 53.904 54.228 -0.324 1
1 594 . 2 1 1 A 59 59 GLN CB C 59 29.530 29.483 0.047 1
1 596 . 2 1 1 A 59 59 GLN N N 59 123.928 123.435 0.493 1
1 598 . 2 1 1 A 60 60 HIS H H 60 9.330 8.951 0.379 1
1 599 . 2 1 1 A 60 60 HIS HA H 60 4.945 4.378 0.567 1
1 604 . 2 1 1 A 60 60 HIS C C 60 175.428 175.579 -0.151 1
1 605 . 2 1 1 A 60 60 HIS CA C 60 54.556 55.285 -0.729 1
1 606 . 2 1 1 A 60 60 HIS CB C 60 32.329 30.815 1.514 1
1 609 . 2 1 1 A 60 60 HIS N N 60 131.634 127.315 4.319 1
1 610 . 2 1 1 A 61 61 PRO HA H 61 4.269 4.091 0.178 1
1 617 . 2 1 1 A 61 61 PRO CA C 61 64.043 65.247 -1.204 1
1 618 . 2 1 1 A 61 61 PRO CB C 61 31.752 31.714 0.038 1
1 621 . 2 1 1 A 62 62 GLY H H 62 7.210 8.066 -0.856 1
1 622 . 2 1 1 A 62 62 GLY HA2 H 62 3.928 3.793 0.135 1
1 623 . 2 1 1 A 62 62 GLY HA3 H 62 3.666 3.993 -0.327 1
1 624 . 2 1 1 A 62 62 GLY CA C 62 46.610 47.254 -0.644 1
1 625 . 2 1 1 A 62 62 GLY N N 62 105.065 106.687 -1.622 1
1 626 . 2 1 1 A 63 63 ASP H H 63 8.237 8.161 0.076 1
1 627 . 2 1 1 A 63 63 ASP HA H 63 4.648 4.396 0.252 1
1 630 . 2 1 1 A 63 63 ASP C C 63 177.303 176.571 0.732 1
1 631 . 2 1 1 A 63 63 ASP CA C 63 53.182 56.119 -2.937 1
1 632 . 2 1 1 A 63 63 ASP CB C 63 42.216 41.313 0.903 1
1 633 . 2 1 1 A 63 63 ASP N N 63 118.685 121.946 -3.261 1
1 634 . 2 1 1 A 64 64 GLY H H 64 8.315 8.031 0.284 1
1 635 . 2 1 1 A 64 64 GLY HA2 H 64 3.900 3.884 0.016 1
1 636 . 2 1 1 A 64 64 GLY HA3 H 64 3.635 3.922 -0.287 1
1 637 . 2 1 1 A 64 64 GLY C C 64 174.457 173.566 0.891 1
1 638 . 2 1 1 A 64 64 GLY CA C 64 46.004 45.444 0.560 1
1 639 . 2 1 1 A 64 64 GLY N N 64 109.742 105.861 3.881 1
1 640 . 2 1 1 A 65 65 HIS H H 65 9.101 7.938 1.163 1
1 641 . 2 1 1 A 65 65 HIS HA H 65 4.675 4.933 -0.258 1
1 645 . 2 1 1 A 65 65 HIS C C 65 173.603 173.432 0.171 1
1 646 . 2 1 1 A 65 65 HIS CA C 65 55.208 54.286 0.922 1
1 647 . 2 1 1 A 65 65 HIS CB C 65 30.321 34.066 -3.745 1
1 649 . 2 1 1 A 65 65 HIS N N 65 121.111 116.800 4.311 1
1 650 . 2 1 1 A 66 66 PHE H H 66 8.841 8.577 0.264 1
1 651 . 2 1 1 A 66 66 PHE HA H 66 5.005 5.332 -0.327 1
1 659 . 2 1 1 A 66 66 PHE C C 66 174.272 174.135 0.137 1
1 660 . 2 1 1 A 66 66 PHE CA C 66 57.904 56.180 1.724 1
1 661 . 2 1 1 A 66 66 PHE CB C 66 40.990 41.151 -0.161 1
1 667 . 2 1 1 A 66 66 PHE N N 66 118.465 117.633 0.832 1
1 668 . 2 1 1 A 67 67 TYR H H 67 8.714 9.147 -0.433 1
1 669 . 2 1 1 A 67 67 TYR HA H 67 5.676 5.167 0.509 1
1 676 . 2 1 1 A 67 67 TYR C C 67 176.345 175.842 0.503 1
1 677 . 2 1 1 A 67 67 TYR CA C 67 56.829 56.489 0.340 1
1 678 . 2 1 1 A 67 67 TYR CB C 67 43.668 43.263 0.405 1
1 683 . 2 1 1 A 67 67 TYR N N 67 117.828 121.337 -3.509 1
1 684 . 2 1 1 A 68 68 CYS H H 68 9.524 8.666 0.858 1
1 685 . 2 1 1 A 68 68 CYS HA H 68 5.152 4.918 0.234 1
1 688 . 2 1 1 A 68 68 CYS C C 68 176.563 176.405 0.158 1
1 689 . 2 1 1 A 68 68 CYS CA C 68 58.468 58.079 0.389 1
1 690 . 2 1 1 A 68 68 CYS CB C 68 29.373 29.510 -0.137 1
1 691 . 2 1 1 A 68 68 CYS N N 68 120.631 120.419 0.212 1
1 692 . 2 1 1 A 69 69 LEU H H 69 7.630 8.746 -1.116 1
1 693 . 2 1 1 A 69 69 LEU HA H 69 3.952 4.381 -0.429 1
1 703 . 2 1 1 A 69 69 LEU C C 69 179.373 176.722 2.651 1
1 704 . 2 1 1 A 69 69 LEU CA C 69 58.080 55.490 2.590 1
1 705 . 2 1 1 A 69 69 LEU CB C 69 40.125 41.137 -1.012 1
1 709 . 2 1 1 A 69 69 LEU N N 69 117.279 122.433 -5.154 1
1 710 . 2 1 1 A 70 70 GLN H H 70 8.159 8.223 -0.064 1
1 711 . 2 1 1 A 70 70 GLN HA H 70 4.106 4.611 -0.505 1
1 718 . 2 1 1 A 70 70 GLN C C 70 177.094 176.771 0.323 1
1 719 . 2 1 1 A 70 70 GLN CA C 70 57.781 55.954 1.827 1
1 720 . 2 1 1 A 70 70 GLN CB C 70 28.537 30.698 -2.161 1
1 722 . 2 1 1 A 70 70 GLN N N 70 115.749 119.244 -3.495 1
1 724 . 2 1 1 A 71 71 HIS H H 71 7.651 7.643 0.008 1
1 725 . 2 1 1 A 71 71 HIS HA H 71 4.917 4.756 0.161 1
1 730 . 2 1 1 A 71 71 HIS C C 71 173.431 175.063 -1.632 1
1 731 . 2 1 1 A 71 71 HIS CA C 71 56.142 56.179 -0.037 1
1 732 . 2 1 1 A 71 71 HIS CB C 71 33.010 31.668 1.342 1
1 735 . 2 1 1 A 71 71 HIS N N 71 116.846 115.988 0.858 1
1 736 . 2 1 1 A 72 72 LEU H H 72 7.154 7.697 -0.543 1
1 737 . 2 1 1 A 72 72 LEU HA H 72 3.772 4.250 -0.478 1
1 747 . 2 1 1 A 72 72 LEU C C 72 174.748 175.087 -0.339 1
1 748 . 2 1 1 A 72 72 LEU CA C 72 53.499 53.302 0.197 1
1 749 . 2 1 1 A 72 72 LEU CB C 72 42.729 43.080 -0.351 1
1 753 . 2 1 1 A 72 72 LEU N N 72 124.029 122.651 1.378 1
1 754 . 2 1 1 A 73 73 PRO HA H 73 4.145 4.467 -0.322 1
1 761 . 2 1 1 A 73 73 PRO C C 73 175.785 175.377 0.408 1
1 762 . 2 1 1 A 73 73 PRO CA C 73 63.050 62.171 0.879 1
1 763 . 2 1 1 A 73 73 PRO CB C 73 32.055 32.701 -0.646 1
1 766 . 2 1 1 A 74 74 GLN H H 74 8.359 8.343 0.016 1
1 767 . 2 1 1 A 74 74 GLN HA H 74 4.386 5.068 -0.682 1
1 774 . 2 1 1 A 74 74 GLN C C 74 176.731 175.394 1.337 1
1 775 . 2 1 1 A 74 74 GLN CA C 74 55.526 54.528 0.998 1
1 776 . 2 1 1 A 74 74 GLN CB C 74 29.817 31.004 -1.187 1
1 778 . 2 1 1 A 74 74 GLN N N 74 120.467 119.674 0.793 1
1 780 . 2 1 1 A 75 75 THR H H 75 8.368 8.816 -0.448 1
1 781 . 2 1 1 A 75 75 THR HA H 75 4.390 4.291 0.099 1
1 786 . 2 1 1 A 75 75 THR C C 75 174.257 174.479 -0.222 1
1 787 . 2 1 1 A 75 75 THR CA C 75 61.993 64.347 -2.354 1
1 788 . 2 1 1 A 75 75 THR CB C 75 69.991 68.559 1.432 1
1 790 . 2 1 1 A 75 75 THR N N 75 116.318 121.492 -5.174 1
1 791 . 2 1 1 A 76 76 ASP H H 76 8.528 8.749 -0.221 1
1 792 . 2 1 1 A 76 76 ASP HA H 76 4.700 4.375 0.325 1
1 795 . 2 1 1 A 76 76 ASP C C 76 176.200 177.235 -1.035 1
1 796 . 2 1 1 A 76 76 ASP CA C 76 54.363 57.686 -3.323 1
1 797 . 2 1 1 A 76 76 ASP CB C 76 41.362 40.539 0.823 1
1 798 . 2 1 1 A 76 76 ASP N N 76 123.204 128.165 -4.961 1
1 799 . 2 1 1 A 77 77 SER H H 77 8.346 7.633 0.713 1
1 800 . 2 1 1 A 77 77 SER HA H 77 4.497 4.326 0.171 1
1 803 . 2 1 1 A 77 77 SER C C 77 174.724 174.556 0.168 1
1 804 . 2 1 1 A 77 77 SER CA C 77 58.451 58.941 -0.490 1
1 805 . 2 1 1 A 77 77 SER CB C 77 64.101 63.401 0.700 1
1 806 . 2 1 1 A 77 77 SER N N 77 116.515 114.575 1.940 1
1 807 . 2 1 1 A 78 78 GLY H H 78 8.330 8.471 -0.141 1
1 808 . 2 1 1 A 78 78 GLY HA2 H 78 4.135 4.263 -0.128 1
1 809 . 2 1 1 A 78 78 GLY HA3 H 78 4.135 4.267 -0.132 1
1 810 . 2 1 1 A 78 78 GLY C C 78 171.883 172.082 -0.199 1
1 811 . 2 1 1 A 78 78 GLY CA C 78 44.745 44.221 0.524 1
1 812 . 2 1 1 A 78 78 GLY N N 78 110.837 113.507 -2.670 1
1 813 . 2 1 1 A 79 79 PRO HA H 79 4.501 4.763 -0.262 1
1 820 . 2 1 1 A 79 79 PRO C C 79 177.463 176.229 1.234 1
1 821 . 2 1 1 A 79 79 PRO CA C 79 63.332 62.739 0.593 1
1 822 . 2 1 1 A 79 79 PRO CB C 79 32.229 31.787 0.442 1
1 825 . 2 1 1 A 80 80 SER H H 80 8.531 8.389 0.142 1
1 826 . 2 1 1 A 80 80 SER HA H 80 4.521 4.922 -0.401 1
1 829 . 2 1 1 A 80 80 SER C C 80 174.760 172.406 2.354 1
1 830 . 2 1 1 A 80 80 SER CA C 80 58.398 57.257 1.141 1
1 831 . 2 1 1 A 80 80 SER CB C 80 63.978 66.430 -2.452 1
1 832 . 2 1 1 A 80 80 SER N N 80 116.479 114.391 2.088 1
1 833 . 2 1 1 A 81 81 SER H H 81 8.358 8.614 -0.256 1
1 834 . 2 1 1 A 81 81 SER HA H 81 4.530 4.685 -0.155 1
1 837 . 2 1 1 A 81 81 SER C C 81 173.982 174.087 -0.105 1
1 838 . 2 1 1 A 81 81 SER CA C 81 58.416 58.489 -0.073 1
1 839 . 2 1 1 A 81 81 SER CB C 81 64.082 63.762 0.320 1
1 840 . 2 1 1 A 81 81 SER N N 81 117.964 117.676 0.288 1
1 1 . 3 1 1 A 9 9 HIS HA H 9 4.627 4.289 0.338 1
1 5 . 3 1 1 A 9 9 HIS C C 9 175.239 175.207 0.032 1
1 6 . 3 1 1 A 9 9 HIS CA C 9 56.347 59.258 -2.911 1
1 7 . 3 1 1 A 9 9 HIS CB C 9 30.681 29.570 1.111 1
1 9 . 3 1 1 A 10 10 GLN H H 10 8.313 6.515 1.798 1
1 10 . 3 1 1 A 10 10 GLN HA H 10 4.323 4.353 -0.030 1
1 17 . 3 1 1 A 10 10 GLN C C 10 175.703 174.577 1.126 1
1 18 . 3 1 1 A 10 10 GLN CA C 10 55.875 54.766 1.109 1
1 19 . 3 1 1 A 10 10 GLN CB C 10 29.726 30.320 -0.594 1
1 21 . 3 1 1 A 10 10 GLN N N 10 122.031 114.086 7.945 1
1 23 . 3 1 1 A 11 11 GLU H H 11 8.546 8.654 -0.108 1
1 24 . 3 1 1 A 11 11 GLU HA H 11 4.275 4.498 -0.223 1
1 29 . 3 1 1 A 11 11 GLU C C 11 176.303 176.242 0.061 1
1 30 . 3 1 1 A 11 11 GLU CA C 11 56.472 56.894 -0.422 1
1 31 . 3 1 1 A 11 11 GLU CB C 11 30.303 31.188 -0.885 1
1 33 . 3 1 1 A 11 11 GLU N N 11 122.648 119.143 3.505 1
1 34 . 3 1 1 A 12 12 ALA H H 12 8.403 7.797 0.606 1
1 35 . 3 1 1 A 12 12 ALA HA H 12 4.288 4.773 -0.485 1
1 39 . 3 1 1 A 12 12 ALA C C 12 178.231 177.327 0.904 1
1 40 . 3 1 1 A 12 12 ALA CA C 12 52.759 50.621 2.138 1
1 41 . 3 1 1 A 12 12 ALA CB C 12 19.237 22.438 -3.201 1
1 42 . 3 1 1 A 12 12 ALA N N 12 125.516 120.951 4.565 1
1 43 . 3 1 1 A 13 13 GLY H H 13 8.490 8.666 -0.176 1
1 44 . 3 1 1 A 13 13 GLY HA2 H 13 3.994 4.196 -0.202 1
1 45 . 3 1 1 A 13 13 GLY HA3 H 13 3.890 4.203 -0.313 1
1 46 . 3 1 1 A 13 13 GLY C C 13 174.176 173.474 0.702 1
1 47 . 3 1 1 A 13 13 GLY CA C 13 45.094 46.034 -0.940 1
1 48 . 3 1 1 A 13 13 GLY N N 13 108.839 109.214 -0.375 1
1 49 . 3 1 1 A 14 14 ALA H H 14 8.172 7.779 0.393 1
1 50 . 3 1 1 A 14 14 ALA HA H 14 4.246 4.234 0.012 1
1 54 . 3 1 1 A 14 14 ALA C C 14 178.304 177.236 1.068 1
1 55 . 3 1 1 A 14 14 ALA CA C 14 52.988 52.237 0.751 1
1 56 . 3 1 1 A 14 14 ALA CB C 14 19.228 19.989 -0.761 1
1 57 . 3 1 1 A 14 14 ALA N N 14 123.459 123.181 0.278 1
1 58 . 3 1 1 A 15 15 GLY H H 15 8.329 8.319 0.010 1
1 59 . 3 1 1 A 15 15 GLY HA2 H 15 3.578 4.173 -0.595 1
1 60 . 3 1 1 A 15 15 GLY HA3 H 15 3.578 4.201 -0.623 1
1 61 . 3 1 1 A 15 15 GLY C C 15 173.577 172.422 1.155 1
1 62 . 3 1 1 A 15 15 GLY CA C 15 45.128 45.736 -0.608 1
1 63 . 3 1 1 A 15 15 GLY N N 15 107.276 106.548 0.728 1
1 64 . 3 1 1 A 16 16 ASP H H 16 7.898 8.772 -0.874 1
1 65 . 3 1 1 A 16 16 ASP HA H 16 4.547 4.915 -0.368 1
1 68 . 3 1 1 A 16 16 ASP C C 16 174.898 174.083 0.815 1
1 69 . 3 1 1 A 16 16 ASP CA C 16 54.344 52.806 1.538 1
1 70 . 3 1 1 A 16 16 ASP CB C 16 41.534 40.747 0.787 1
1 71 . 3 1 1 A 16 16 ASP N N 16 118.642 121.753 -3.111 1
1 72 . 3 1 1 A 17 17 LEU H H 17 7.822 7.760 0.062 1
1 73 . 3 1 1 A 17 17 LEU HA H 17 4.446 5.021 -0.575 1
1 83 . 3 1 1 A 17 17 LEU C C 17 175.902 175.761 0.141 1
1 84 . 3 1 1 A 17 17 LEU CA C 17 53.128 53.002 0.126 1
1 85 . 3 1 1 A 17 17 LEU CB C 17 44.656 45.178 -0.522 1
1 89 . 3 1 1 A 17 17 LEU N N 17 119.654 122.247 -2.593 1
1 90 . 3 1 1 A 18 18 CYS H H 18 8.080 8.325 -0.245 1
1 91 . 3 1 1 A 18 18 CYS HA H 18 4.248 4.109 0.139 1
1 94 . 3 1 1 A 18 18 CYS C C 18 177.466 175.829 1.637 1
1 95 . 3 1 1 A 18 18 CYS CA C 18 58.398 59.566 -1.168 1
1 96 . 3 1 1 A 18 18 CYS CB C 18 31.990 28.336 3.654 1
1 97 . 3 1 1 A 18 18 CYS N N 18 123.013 124.474 -1.461 1
1 98 . 3 1 1 A 19 19 ALA H H 19 9.211 8.608 0.603 1
1 99 . 3 1 1 A 19 19 ALA HA H 19 4.172 4.115 0.057 1
1 103 . 3 1 1 A 19 19 ALA C C 19 177.724 179.249 -1.525 1
1 104 . 3 1 1 A 19 19 ALA CA C 19 54.327 53.261 1.066 1
1 105 . 3 1 1 A 19 19 ALA CB C 19 18.662 19.006 -0.344 1
1 106 . 3 1 1 A 19 19 ALA N N 19 132.258 129.130 3.128 1
1 107 . 3 1 1 A 20 20 LEU H H 20 8.911 7.801 1.110 1
1 108 . 3 1 1 A 20 20 LEU HA H 20 4.736 4.127 0.609 1
1 118 . 3 1 1 A 20 20 LEU C C 20 177.779 178.980 -1.201 1
1 119 . 3 1 1 A 20 20 LEU CA C 20 56.935 57.992 -1.057 1
1 120 . 3 1 1 A 20 20 LEU CB C 20 43.750 41.926 1.824 1
1 124 . 3 1 1 A 20 20 LEU N N 20 119.770 119.452 0.318 1
1 125 . 3 1 1 A 21 21 CYS H H 21 8.159 7.307 0.852 1
1 126 . 3 1 1 A 21 21 CYS HA H 21 4.962 4.429 0.533 1
1 129 . 3 1 1 A 21 21 CYS C C 21 176.947 175.696 1.251 1
1 130 . 3 1 1 A 21 21 CYS CA C 21 59.137 60.077 -0.940 1
1 131 . 3 1 1 A 21 21 CYS CB C 21 31.728 28.711 3.017 1
1 132 . 3 1 1 A 21 21 CYS N N 21 116.713 113.924 2.789 1
1 133 . 3 1 1 A 22 22 GLY H H 22 8.088 8.257 -0.169 1
1 134 . 3 1 1 A 22 22 GLY HA2 H 22 4.160 3.907 0.253 1
1 135 . 3 1 1 A 22 22 GLY HA3 H 22 3.865 3.936 -0.071 1
1 136 . 3 1 1 A 22 22 GLY C C 22 173.190 174.010 -0.820 1
1 137 . 3 1 1 A 22 22 GLY CA C 22 46.556 45.633 0.923 1
1 138 . 3 1 1 A 22 22 GLY N N 22 112.000 110.161 1.839 1
1 139 . 3 1 1 A 23 23 GLU H H 23 8.378 7.957 0.421 1
1 140 . 3 1 1 A 23 23 GLU HA H 23 4.712 4.771 -0.059 1
1 145 . 3 1 1 A 23 23 GLU C C 23 176.434 175.794 0.640 1
1 146 . 3 1 1 A 23 23 GLU CA C 23 55.014 54.635 0.379 1
1 147 . 3 1 1 A 23 23 GLU CB C 23 31.557 32.169 -0.612 1
1 149 . 3 1 1 A 23 23 GLU N N 23 118.877 119.222 -0.345 1
1 150 . 3 1 1 A 24 24 HIS H H 24 8.666 8.826 -0.160 1
1 151 . 3 1 1 A 24 24 HIS HA H 24 4.333 4.584 -0.251 1
1 156 . 3 1 1 A 24 24 HIS C C 24 175.281 174.116 1.165 1
1 157 . 3 1 1 A 24 24 HIS CA C 24 58.186 57.797 0.389 1
1 158 . 3 1 1 A 24 24 HIS CB C 24 30.099 30.733 -0.634 1
1 161 . 3 1 1 A 24 24 HIS N N 24 118.732 121.515 -2.783 1
1 162 . 3 1 1 A 25 25 LEU H H 25 7.928 8.203 -0.275 1
1 163 . 3 1 1 A 25 25 LEU HA H 25 4.174 5.227 -1.053 1
1 173 . 3 1 1 A 25 25 LEU C C 25 175.186 175.194 -0.008 1
1 174 . 3 1 1 A 25 25 LEU CA C 25 53.992 53.515 0.477 1
1 175 . 3 1 1 A 25 25 LEU CB C 25 43.742 45.765 -2.023 1
1 179 . 3 1 1 A 25 25 LEU N N 25 125.590 126.581 -0.991 1
1 180 . 3 1 1 A 26 26 TYR H H 26 8.768 8.902 -0.134 1
1 181 . 3 1 1 A 26 26 TYR HA H 26 4.651 5.062 -0.411 1
1 188 . 3 1 1 A 26 26 TYR C C 26 177.267 176.311 0.956 1
1 189 . 3 1 1 A 26 26 TYR CA C 26 57.270 55.919 1.351 1
1 190 . 3 1 1 A 26 26 TYR CB C 26 38.210 41.029 -2.819 1
1 195 . 3 1 1 A 26 26 TYR N N 26 123.119 122.320 0.799 1
1 196 . 3 1 1 A 27 27 VAL H H 27 8.086 8.072 0.014 1
1 197 . 3 1 1 A 27 27 VAL HA H 27 3.809 3.676 0.133 1
1 205 . 3 1 1 A 27 27 VAL C C 27 176.958 177.251 -0.293 1
1 206 . 3 1 1 A 27 27 VAL CA C 27 64.551 65.141 -0.590 1
1 207 . 3 1 1 A 27 27 VAL CB C 27 31.788 31.530 0.258 1
1 210 . 3 1 1 A 27 27 VAL N N 27 121.055 125.125 -4.070 1
1 211 . 3 1 1 A 28 28 LEU H H 28 7.665 7.392 0.273 1
1 212 . 3 1 1 A 28 28 LEU HA H 28 4.285 4.194 0.091 1
1 222 . 3 1 1 A 28 28 LEU C C 28 177.710 178.475 -0.765 1
1 223 . 3 1 1 A 28 28 LEU CA C 28 56.297 57.170 -0.873 1
1 224 . 3 1 1 A 28 28 LEU CB C 28 41.998 42.025 -0.027 1
1 228 . 3 1 1 A 28 28 LEU N N 28 119.062 121.481 -2.419 1
1 229 . 3 1 1 A 29 29 GLU H H 29 7.961 8.545 -0.584 1
1 230 . 3 1 1 A 29 29 GLU HA H 29 4.479 4.094 0.385 1
1 235 . 3 1 1 A 29 29 GLU C C 29 175.755 177.283 -1.528 1
1 236 . 3 1 1 A 29 29 GLU CA C 29 56.248 59.962 -3.714 1
1 237 . 3 1 1 A 29 29 GLU CB C 29 30.550 29.439 1.111 1
1 239 . 3 1 1 A 29 29 GLU N N 29 117.067 117.694 -0.627 1
1 240 . 3 1 1 A 30 30 ARG H H 30 7.724 8.010 -0.286 1
1 241 . 3 1 1 A 30 30 ARG HA H 30 4.688 4.381 0.307 1
1 248 . 3 1 1 A 30 30 ARG C C 30 174.546 175.517 -0.971 1
1 249 . 3 1 1 A 30 30 ARG CA C 30 55.948 56.564 -0.616 1
1 250 . 3 1 1 A 30 30 ARG CB C 30 33.034 30.566 2.468 1
1 253 . 3 1 1 A 30 30 ARG N N 30 120.305 117.815 2.490 1
1 254 . 3 1 1 A 31 31 LEU H H 31 8.970 9.241 -0.271 1
1 255 . 3 1 1 A 31 31 LEU HA H 31 4.635 5.037 -0.402 1
1 265 . 3 1 1 A 31 31 LEU C C 31 174.536 175.615 -1.079 1
1 266 . 3 1 1 A 31 31 LEU CA C 31 54.168 53.819 0.349 1
1 267 . 3 1 1 A 31 31 LEU CB C 31 45.021 44.074 0.947 1
1 271 . 3 1 1 A 31 31 LEU N N 31 124.553 125.529 -0.976 1
1 272 . 3 1 1 A 32 32 CYS H H 32 8.558 8.664 -0.106 1
1 273 . 3 1 1 A 32 32 CYS HA H 32 4.954 4.439 0.515 1
1 276 . 3 1 1 A 32 32 CYS C C 32 174.418 174.445 -0.027 1
1 277 . 3 1 1 A 32 32 CYS CA C 32 56.874 59.017 -2.143 1
1 278 . 3 1 1 A 32 32 CYS CB C 32 28.054 27.813 0.241 1
1 279 . 3 1 1 A 32 32 CYS N N 32 124.126 125.647 -1.521 1
1 280 . 3 1 1 A 33 33 VAL H H 33 8.893 9.078 -0.185 1
1 281 . 3 1 1 A 33 33 VAL HA H 33 4.103 4.409 -0.306 1
1 289 . 3 1 1 A 33 33 VAL C C 33 175.525 176.052 -0.527 1
1 290 . 3 1 1 A 33 33 VAL CA C 33 61.551 61.145 0.406 1
1 291 . 3 1 1 A 33 33 VAL CB C 33 34.027 33.685 0.342 1
1 294 . 3 1 1 A 33 33 VAL N N 33 129.037 125.513 3.524 1
1 295 . 3 1 1 A 34 34 ASN HA H 34 4.389 4.442 -0.053 1
1 300 . 3 1 1 A 34 34 ASN C C 34 174.946 175.282 -0.336 1
1 301 . 3 1 1 A 34 34 ASN CA C 34 53.922 54.595 -0.673 1
1 302 . 3 1 1 A 34 34 ASN CB C 34 37.332 37.106 0.226 1
1 304 . 3 1 1 A 35 35 GLY H H 35 7.896 8.119 -0.223 1
1 305 . 3 1 1 A 35 35 GLY HA2 H 35 3.891 3.663 0.228 1
1 306 . 3 1 1 A 35 35 GLY HA3 H 35 3.180 3.686 -0.506 1
1 307 . 3 1 1 A 35 35 GLY C C 35 172.892 174.436 -1.544 1
1 308 . 3 1 1 A 35 35 GLY CA C 35 45.290 44.910 0.380 1
1 309 . 3 1 1 A 35 35 GLY N N 35 102.630 104.768 -2.138 1
1 310 . 3 1 1 A 36 36 HIS H H 36 7.694 7.231 0.463 1
1 311 . 3 1 1 A 36 36 HIS HA H 36 4.433 4.414 0.019 1
1 315 . 3 1 1 A 36 36 HIS C C 36 172.910 174.128 -1.218 1
1 316 . 3 1 1 A 36 36 HIS CA C 36 54.433 56.023 -1.590 1
1 317 . 3 1 1 A 36 36 HIS CB C 36 32.464 30.788 1.676 1
1 319 . 3 1 1 A 36 36 HIS N N 36 119.651 118.365 1.286 1
1 320 . 3 1 1 A 37 37 PHE H H 37 8.502 8.669 -0.167 1
1 321 . 3 1 1 A 37 37 PHE HA H 37 5.314 5.400 -0.086 1
1 329 . 3 1 1 A 37 37 PHE C C 37 174.239 174.230 0.009 1
1 330 . 3 1 1 A 37 37 PHE CA C 37 56.424 56.099 0.325 1
1 331 . 3 1 1 A 37 37 PHE CB C 37 41.572 42.160 -0.588 1
1 337 . 3 1 1 A 37 37 PHE N N 37 119.583 119.109 0.474 1
1 338 . 3 1 1 A 38 38 PHE H H 38 8.664 9.170 -0.506 1
1 339 . 3 1 1 A 38 38 PHE HA H 38 5.866 4.945 0.921 1
1 347 . 3 1 1 A 38 38 PHE C C 38 177.496 175.242 2.254 1
1 348 . 3 1 1 A 38 38 PHE CA C 38 55.296 56.460 -1.164 1
1 349 . 3 1 1 A 38 38 PHE CB C 38 44.392 43.362 1.030 1
1 355 . 3 1 1 A 38 38 PHE N N 38 116.719 120.031 -3.312 1
1 356 . 3 1 1 A 39 39 HIS H H 39 8.854 8.259 0.595 1
1 357 . 3 1 1 A 39 39 HIS HA H 39 4.675 4.671 0.004 1
1 362 . 3 1 1 A 39 39 HIS C C 39 178.476 176.234 2.242 1
1 363 . 3 1 1 A 39 39 HIS CA C 39 59.297 56.914 2.383 1
1 364 . 3 1 1 A 39 39 HIS CB C 39 30.980 30.018 0.962 1
1 367 . 3 1 1 A 39 39 HIS N N 39 120.015 119.638 0.377 1
1 368 . 3 1 1 A 40 40 ARG H H 40 9.256 8.791 0.465 1
1 369 . 3 1 1 A 40 40 ARG HA H 40 3.965 3.895 0.070 1
1 376 . 3 1 1 A 40 40 ARG C C 40 179.459 178.462 0.997 1
1 377 . 3 1 1 A 40 40 ARG CA C 40 60.547 59.657 0.890 1
1 378 . 3 1 1 A 40 40 ARG CB C 40 29.598 29.990 -0.392 1
1 381 . 3 1 1 A 40 40 ARG N N 40 126.206 125.077 1.129 1
1 382 . 3 1 1 A 41 41 SER H H 41 8.643 8.040 0.603 1
1 383 . 3 1 1 A 41 41 SER HA H 41 4.221 4.257 -0.036 1
1 386 . 3 1 1 A 41 41 SER C C 41 175.499 177.053 -1.554 1
1 387 . 3 1 1 A 41 41 SER CA C 41 60.160 61.274 -1.114 1
1 388 . 3 1 1 A 41 41 SER CB C 41 62.847 62.783 0.064 1
1 389 . 3 1 1 A 41 41 SER N N 41 109.970 115.279 -5.309 1
1 390 . 3 1 1 A 42 42 CYS H H 42 7.427 8.351 -0.924 1
1 391 . 3 1 1 A 42 42 CYS HA H 42 4.306 4.189 0.117 1
1 394 . 3 1 1 A 42 42 CYS C C 42 174.200 176.354 -2.154 1
1 395 . 3 1 1 A 42 42 CYS CA C 42 61.569 63.223 -1.654 1
1 396 . 3 1 1 A 42 42 CYS CB C 42 30.945 26.933 4.012 1
1 397 . 3 1 1 A 42 42 CYS N N 42 118.020 119.073 -1.053 1
1 398 . 3 1 1 A 43 43 PHE H H 43 7.257 7.729 -0.472 1
1 399 . 3 1 1 A 43 43 PHE HA H 43 4.122 4.214 -0.092 1
1 407 . 3 1 1 A 43 43 PHE C C 43 172.037 174.662 -2.625 1
1 408 . 3 1 1 A 43 43 PHE CA C 43 57.112 59.053 -1.941 1
1 409 . 3 1 1 A 43 43 PHE CB C 43 37.448 38.833 -1.385 1
1 415 . 3 1 1 A 43 43 PHE N N 43 122.965 120.909 2.056 1
1 416 . 3 1 1 A 44 44 ARG H H 44 7.110 8.274 -1.164 1
1 417 . 3 1 1 A 44 44 ARG HA H 44 4.821 4.796 0.025 1
1 424 . 3 1 1 A 44 44 ARG C C 44 174.097 175.000 -0.903 1
1 425 . 3 1 1 A 44 44 ARG CA C 44 53.323 53.663 -0.340 1
1 426 . 3 1 1 A 44 44 ARG CB C 44 34.911 34.127 0.784 1
1 429 . 3 1 1 A 44 44 ARG N N 44 123.199 125.713 -2.514 1
1 430 . 3 1 1 A 45 45 CYS H H 45 8.580 8.293 0.287 1
1 431 . 3 1 1 A 45 45 CYS HA H 45 4.055 4.607 -0.552 1
1 434 . 3 1 1 A 45 45 CYS C C 45 177.493 175.062 2.431 1
1 435 . 3 1 1 A 45 45 CYS CA C 45 59.878 59.514 0.364 1
1 436 . 3 1 1 A 45 45 CYS CB C 45 32.052 28.916 3.136 1
1 437 . 3 1 1 A 45 45 CYS N N 45 121.527 120.856 0.671 1
1 438 . 3 1 1 A 46 46 HIS H H 46 9.187 8.665 0.522 1
1 439 . 3 1 1 A 46 46 HIS HA H 46 4.184 4.545 -0.361 1
1 443 . 3 1 1 A 46 46 HIS C C 46 175.000 176.643 -1.643 1
1 444 . 3 1 1 A 46 46 HIS CA C 46 59.137 57.313 1.824 1
1 445 . 3 1 1 A 46 46 HIS CB C 46 29.560 30.759 -1.199 1
1 447 . 3 1 1 A 46 46 HIS N N 46 130.205 124.798 5.407 1
1 448 . 3 1 1 A 47 47 THR H H 47 8.848 7.566 1.282 1
1 449 . 3 1 1 A 47 47 THR HA H 47 4.134 4.404 -0.270 1
1 454 . 3 1 1 A 47 47 THR C C 47 174.926 175.950 -1.024 1
1 455 . 3 1 1 A 47 47 THR CA C 47 65.535 63.128 2.407 1
1 456 . 3 1 1 A 47 47 THR CB C 47 70.010 70.599 -0.589 1
1 458 . 3 1 1 A 47 47 THR N N 47 116.066 111.398 4.668 1
1 459 . 3 1 1 A 48 48 CYS H H 48 8.181 8.049 0.132 1
1 460 . 3 1 1 A 48 48 CYS HA H 48 4.821 4.610 0.211 1
1 463 . 3 1 1 A 48 48 CYS C C 48 176.004 175.182 0.822 1
1 464 . 3 1 1 A 48 48 CYS CA C 48 59.050 58.098 0.952 1
1 465 . 3 1 1 A 48 48 CYS CB C 48 32.944 29.516 3.428 1
1 466 . 3 1 1 A 48 48 CYS N N 48 119.626 116.527 3.099 1
1 467 . 3 1 1 A 49 49 GLU H H 49 8.081 8.173 -0.092 1
1 468 . 3 1 1 A 49 49 GLU HA H 49 3.865 4.389 -0.524 1
1 473 . 3 1 1 A 49 49 GLU C C 49 174.137 175.360 -1.223 1
1 474 . 3 1 1 A 49 49 GLU CA C 49 58.732 57.221 1.511 1
1 475 . 3 1 1 A 49 49 GLU CB C 49 27.345 27.354 -0.009 1
1 477 . 3 1 1 A 49 49 GLU N N 49 116.307 120.054 -3.747 1
1 478 . 3 1 1 A 50 50 ALA H H 50 8.498 7.864 0.634 1
1 479 . 3 1 1 A 50 50 ALA HA H 50 4.388 4.521 -0.133 1
1 483 . 3 1 1 A 50 50 ALA C C 50 178.362 176.962 1.400 1
1 484 . 3 1 1 A 50 50 ALA CA C 50 53.111 50.881 2.230 1
1 485 . 3 1 1 A 50 50 ALA CB C 50 20.334 20.279 0.055 1
1 486 . 3 1 1 A 50 50 ALA N N 50 124.211 123.103 1.108 1
1 487 . 3 1 1 A 51 51 THR H H 51 8.470 8.446 0.024 1
1 488 . 3 1 1 A 51 51 THR HA H 51 3.811 3.925 -0.114 1
1 493 . 3 1 1 A 51 51 THR C C 51 173.931 173.858 0.073 1
1 494 . 3 1 1 A 51 51 THR CA C 51 64.345 63.698 0.647 1
1 495 . 3 1 1 A 51 51 THR CB C 51 69.428 68.260 1.168 1
1 497 . 3 1 1 A 51 51 THR N N 51 117.025 117.527 -0.502 1
1 498 . 3 1 1 A 52 52 LEU H H 52 7.421 8.094 -0.673 1
1 499 . 3 1 1 A 52 52 LEU HA H 52 4.439 4.386 0.053 1
1 509 . 3 1 1 A 52 52 LEU C C 52 175.390 175.747 -0.357 1
1 510 . 3 1 1 A 52 52 LEU CA C 52 53.728 54.578 -0.850 1
1 511 . 3 1 1 A 52 52 LEU CB C 52 42.020 41.013 1.007 1
1 515 . 3 1 1 A 52 52 LEU N N 52 125.339 128.013 -2.674 1
1 516 . 3 1 1 A 53 53 TRP H H 53 8.089 8.110 -0.021 1
1 517 . 3 1 1 A 53 53 TRP HA H 53 5.148 4.666 0.482 1
1 526 . 3 1 1 A 53 53 TRP C C 53 173.534 176.704 -3.170 1
1 527 . 3 1 1 A 53 53 TRP CA C 53 54.345 56.624 -2.279 1
1 528 . 3 1 1 A 53 53 TRP CB C 53 30.134 29.224 0.910 1
1 534 . 3 1 1 A 53 53 TRP N N 53 120.731 126.568 -5.837 1
1 536 . 3 1 1 A 54 54 PRO HA H 54 4.553 4.504 0.049 1
1 543 . 3 1 1 A 54 54 PRO CA C 54 64.882 64.073 0.809 1
1 544 . 3 1 1 A 54 54 PRO CB C 54 31.969 31.543 0.426 1
1 547 . 3 1 1 A 55 55 GLY HA2 H 55 4.330 4.173 0.157 1
1 548 . 3 1 1 A 55 55 GLY HA3 H 55 3.795 4.210 -0.415 1
1 549 . 3 1 1 A 55 55 GLY C C 55 175.195 174.176 1.019 1
1 550 . 3 1 1 A 55 55 GLY CA C 55 45.586 45.748 -0.162 1
1 551 . 3 1 1 A 56 56 GLY H H 56 8.653 7.731 0.922 1
1 552 . 3 1 1 A 56 56 GLY HA2 H 56 4.567 4.280 0.287 1
1 553 . 3 1 1 A 56 56 GLY HA3 H 56 3.380 4.347 -0.967 1
1 554 . 3 1 1 A 56 56 GLY C C 56 174.377 173.545 0.832 1
1 555 . 3 1 1 A 56 56 GLY CA C 56 45.237 45.912 -0.675 1
1 556 . 3 1 1 A 56 56 GLY N N 56 107.803 106.421 1.382 1
1 557 . 3 1 1 A 57 57 TYR H H 57 7.269 8.024 -0.755 1
1 558 . 3 1 1 A 57 57 TYR HA H 57 5.600 5.278 0.322 1
1 565 . 3 1 1 A 57 57 TYR C C 57 173.258 173.553 -0.295 1
1 566 . 3 1 1 A 57 57 TYR CA C 57 55.666 56.499 -0.833 1
1 567 . 3 1 1 A 57 57 TYR CB C 57 44.451 40.888 3.563 1
1 572 . 3 1 1 A 57 57 TYR N N 57 116.315 116.468 -0.153 1
1 573 . 3 1 1 A 58 58 GLU H H 58 8.948 9.048 -0.100 1
1 574 . 3 1 1 A 58 58 GLU HA H 58 4.546 4.717 -0.171 1
1 579 . 3 1 1 A 58 58 GLU C C 58 174.242 174.529 -0.287 1
1 580 . 3 1 1 A 58 58 GLU CA C 58 55.790 55.600 0.190 1
1 581 . 3 1 1 A 58 58 GLU CB C 58 35.177 34.020 1.157 1
1 583 . 3 1 1 A 58 58 GLU N N 58 117.931 119.317 -1.386 1
1 584 . 3 1 1 A 59 59 GLN H H 59 9.205 8.718 0.487 1
1 585 . 3 1 1 A 59 59 GLN HA H 59 4.760 4.736 0.024 1
1 592 . 3 1 1 A 59 59 GLN C C 59 175.807 175.539 0.268 1
1 593 . 3 1 1 A 59 59 GLN CA C 59 53.904 54.216 -0.312 1
1 594 . 3 1 1 A 59 59 GLN CB C 59 29.530 29.434 0.096 1
1 596 . 3 1 1 A 59 59 GLN N N 59 123.928 123.620 0.308 1
1 598 . 3 1 1 A 60 60 HIS H H 60 9.330 8.944 0.386 1
1 599 . 3 1 1 A 60 60 HIS HA H 60 4.945 4.524 0.421 1
1 604 . 3 1 1 A 60 60 HIS C C 60 175.428 175.531 -0.103 1
1 605 . 3 1 1 A 60 60 HIS CA C 60 54.556 55.155 -0.599 1
1 606 . 3 1 1 A 60 60 HIS CB C 60 32.329 31.118 1.211 1
1 609 . 3 1 1 A 60 60 HIS N N 60 131.634 127.045 4.589 1
1 610 . 3 1 1 A 61 61 PRO HA H 61 4.269 4.202 0.067 1
1 617 . 3 1 1 A 61 61 PRO CA C 61 64.043 64.659 -0.616 1
1 618 . 3 1 1 A 61 61 PRO CB C 61 31.752 31.735 0.017 1
1 621 . 3 1 1 A 62 62 GLY H H 62 7.210 8.107 -0.897 1
1 622 . 3 1 1 A 62 62 GLY HA2 H 62 3.928 3.794 0.134 1
1 623 . 3 1 1 A 62 62 GLY HA3 H 62 3.666 4.007 -0.341 1
1 624 . 3 1 1 A 62 62 GLY CA C 62 46.610 47.247 -0.637 1
1 625 . 3 1 1 A 62 62 GLY N N 62 105.065 106.072 -1.007 1
1 626 . 3 1 1 A 63 63 ASP H H 63 8.237 8.034 0.203 1
1 627 . 3 1 1 A 63 63 ASP HA H 63 4.648 4.557 0.091 1
1 630 . 3 1 1 A 63 63 ASP C C 63 177.303 176.206 1.097 1
1 631 . 3 1 1 A 63 63 ASP CA C 63 53.182 55.623 -2.441 1
1 632 . 3 1 1 A 63 63 ASP CB C 63 42.216 41.379 0.837 1
1 633 . 3 1 1 A 63 63 ASP N N 63 118.685 120.951 -2.266 1
1 634 . 3 1 1 A 64 64 GLY H H 64 8.315 8.079 0.236 1
1 635 . 3 1 1 A 64 64 GLY HA2 H 64 3.900 4.019 -0.119 1
1 636 . 3 1 1 A 64 64 GLY HA3 H 64 3.635 4.024 -0.389 1
1 637 . 3 1 1 A 64 64 GLY C C 64 174.457 173.834 0.623 1
1 638 . 3 1 1 A 64 64 GLY CA C 64 46.004 45.183 0.821 1
1 639 . 3 1 1 A 64 64 GLY N N 64 109.742 106.148 3.594 1
1 640 . 3 1 1 A 65 65 HIS H H 65 9.101 8.099 1.002 1
1 641 . 3 1 1 A 65 65 HIS HA H 65 4.675 5.013 -0.338 1
1 645 . 3 1 1 A 65 65 HIS C C 65 173.603 173.543 0.060 1
1 646 . 3 1 1 A 65 65 HIS CA C 65 55.208 54.590 0.618 1
1 647 . 3 1 1 A 65 65 HIS CB C 65 30.321 34.117 -3.796 1
1 649 . 3 1 1 A 65 65 HIS N N 65 121.111 116.963 4.148 1
1 650 . 3 1 1 A 66 66 PHE H H 66 8.841 8.480 0.361 1
1 651 . 3 1 1 A 66 66 PHE HA H 66 5.005 5.280 -0.275 1
1 659 . 3 1 1 A 66 66 PHE C C 66 174.272 174.242 0.030 1
1 660 . 3 1 1 A 66 66 PHE CA C 66 57.904 56.198 1.706 1
1 661 . 3 1 1 A 66 66 PHE CB C 66 40.990 41.636 -0.646 1
1 667 . 3 1 1 A 66 66 PHE N N 66 118.465 117.389 1.076 1
1 668 . 3 1 1 A 67 67 TYR H H 67 8.714 9.171 -0.457 1
1 669 . 3 1 1 A 67 67 TYR HA H 67 5.676 5.168 0.508 1
1 676 . 3 1 1 A 67 67 TYR C C 67 176.345 175.848 0.497 1
1 677 . 3 1 1 A 67 67 TYR CA C 67 56.829 56.587 0.242 1
1 678 . 3 1 1 A 67 67 TYR CB C 67 43.668 43.261 0.407 1
1 683 . 3 1 1 A 67 67 TYR N N 67 117.828 121.078 -3.250 1
1 684 . 3 1 1 A 68 68 CYS H H 68 9.524 8.629 0.895 1
1 685 . 3 1 1 A 68 68 CYS HA H 68 5.152 4.951 0.201 1
1 688 . 3 1 1 A 68 68 CYS C C 68 176.563 176.212 0.351 1
1 689 . 3 1 1 A 68 68 CYS CA C 68 58.468 58.393 0.075 1
1 690 . 3 1 1 A 68 68 CYS CB C 68 29.373 29.495 -0.122 1
1 691 . 3 1 1 A 68 68 CYS N N 68 120.631 120.539 0.092 1
1 692 . 3 1 1 A 69 69 LEU H H 69 7.630 8.762 -1.132 1
1 693 . 3 1 1 A 69 69 LEU HA H 69 3.952 4.436 -0.484 1
1 703 . 3 1 1 A 69 69 LEU C C 69 179.373 176.760 2.613 1
1 704 . 3 1 1 A 69 69 LEU CA C 69 58.080 55.261 2.819 1
1 705 . 3 1 1 A 69 69 LEU CB C 69 40.125 41.342 -1.217 1
1 709 . 3 1 1 A 69 69 LEU N N 69 117.279 122.031 -4.752 1
1 710 . 3 1 1 A 70 70 GLN H H 70 8.159 8.311 -0.152 1
1 711 . 3 1 1 A 70 70 GLN HA H 70 4.106 4.664 -0.558 1
1 718 . 3 1 1 A 70 70 GLN C C 70 177.094 177.003 0.091 1
1 719 . 3 1 1 A 70 70 GLN CA C 70 57.781 55.957 1.824 1
1 720 . 3 1 1 A 70 70 GLN CB C 70 28.537 30.723 -2.186 1
1 722 . 3 1 1 A 70 70 GLN N N 70 115.749 119.245 -3.496 1
1 724 . 3 1 1 A 71 71 HIS H H 71 7.651 7.581 0.070 1
1 725 . 3 1 1 A 71 71 HIS HA H 71 4.917 4.759 0.158 1
1 730 . 3 1 1 A 71 71 HIS C C 71 173.431 175.075 -1.644 1
1 731 . 3 1 1 A 71 71 HIS CA C 71 56.142 56.258 -0.116 1
1 732 . 3 1 1 A 71 71 HIS CB C 71 33.010 31.787 1.223 1
1 735 . 3 1 1 A 71 71 HIS N N 71 116.846 116.003 0.843 1
1 736 . 3 1 1 A 72 72 LEU H H 72 7.154 7.540 -0.386 1
1 737 . 3 1 1 A 72 72 LEU HA H 72 3.772 4.140 -0.368 1
1 747 . 3 1 1 A 72 72 LEU C C 72 174.748 175.090 -0.342 1
1 748 . 3 1 1 A 72 72 LEU CA C 72 53.499 53.322 0.177 1
1 749 . 3 1 1 A 72 72 LEU CB C 72 42.729 43.083 -0.354 1
1 753 . 3 1 1 A 72 72 LEU N N 72 124.029 122.180 1.849 1
1 754 . 3 1 1 A 73 73 PRO HA H 73 4.145 4.453 -0.308 1
1 761 . 3 1 1 A 73 73 PRO C C 73 175.785 175.511 0.274 1
1 762 . 3 1 1 A 73 73 PRO CA C 73 63.050 62.083 0.967 1
1 763 . 3 1 1 A 73 73 PRO CB C 73 32.055 32.525 -0.470 1
1 766 . 3 1 1 A 74 74 GLN H H 74 8.359 8.465 -0.106 1
1 767 . 3 1 1 A 74 74 GLN HA H 74 4.386 4.929 -0.543 1
1 774 . 3 1 1 A 74 74 GLN C C 74 176.731 175.790 0.941 1
1 775 . 3 1 1 A 74 74 GLN CA C 74 55.526 54.246 1.280 1
1 776 . 3 1 1 A 74 74 GLN CB C 74 29.817 32.992 -3.175 1
1 778 . 3 1 1 A 74 74 GLN N N 74 120.467 118.550 1.917 1
1 780 . 3 1 1 A 75 75 THR H H 75 8.368 8.655 -0.287 1
1 781 . 3 1 1 A 75 75 THR HA H 75 4.390 4.333 0.057 1
1 786 . 3 1 1 A 75 75 THR C C 75 174.257 174.266 -0.009 1
1 787 . 3 1 1 A 75 75 THR CA C 75 61.993 62.577 -0.584 1
1 788 . 3 1 1 A 75 75 THR CB C 75 69.991 69.762 0.229 1
1 790 . 3 1 1 A 75 75 THR N N 75 116.318 115.398 0.920 1
1 791 . 3 1 1 A 76 76 ASP H H 76 8.528 8.974 -0.446 1
1 792 . 3 1 1 A 76 76 ASP HA H 76 4.700 5.088 -0.388 1
1 795 . 3 1 1 A 76 76 ASP C C 76 176.200 175.406 0.794 1
1 796 . 3 1 1 A 76 76 ASP CA C 76 54.363 52.892 1.471 1
1 797 . 3 1 1 A 76 76 ASP CB C 76 41.362 42.806 -1.444 1
1 798 . 3 1 1 A 76 76 ASP N N 76 123.204 121.914 1.290 1
1 799 . 3 1 1 A 77 77 SER H H 77 8.346 8.636 -0.290 1
1 800 . 3 1 1 A 77 77 SER HA H 77 4.497 4.654 -0.157 1
1 803 . 3 1 1 A 77 77 SER C C 77 174.724 174.212 0.512 1
1 804 . 3 1 1 A 77 77 SER CA C 77 58.451 58.750 -0.299 1
1 805 . 3 1 1 A 77 77 SER CB C 77 64.101 61.920 2.181 1
1 806 . 3 1 1 A 77 77 SER N N 77 116.515 121.251 -4.736 1
1 807 . 3 1 1 A 78 78 GLY H H 78 8.330 8.120 0.210 1
1 808 . 3 1 1 A 78 78 GLY HA2 H 78 4.135 4.138 -0.003 1
1 809 . 3 1 1 A 78 78 GLY HA3 H 78 4.135 4.138 -0.003 1
1 810 . 3 1 1 A 78 78 GLY C C 78 171.883 173.853 -1.970 1
1 811 . 3 1 1 A 78 78 GLY CA C 78 44.745 45.859 -1.114 1
1 812 . 3 1 1 A 78 78 GLY N N 78 110.837 112.331 -1.494 1
1 813 . 3 1 1 A 79 79 PRO HA H 79 4.501 4.485 0.016 1
1 820 . 3 1 1 A 79 79 PRO C C 79 177.463 176.428 1.035 1
1 821 . 3 1 1 A 79 79 PRO CA C 79 63.332 64.036 -0.704 1
1 822 . 3 1 1 A 79 79 PRO CB C 79 32.229 31.537 0.692 1
1 825 . 3 1 1 A 80 80 SER H H 80 8.531 7.905 0.626 1
1 826 . 3 1 1 A 80 80 SER HA H 80 4.521 5.108 -0.587 1
1 829 . 3 1 1 A 80 80 SER C C 80 174.760 172.940 1.820 1
1 830 . 3 1 1 A 80 80 SER CA C 80 58.398 57.875 0.523 1
1 831 . 3 1 1 A 80 80 SER CB C 80 63.978 64.929 -0.951 1
1 832 . 3 1 1 A 80 80 SER N N 80 116.479 115.653 0.826 1
1 833 . 3 1 1 A 81 81 SER H H 81 8.358 8.814 -0.456 1
1 834 . 3 1 1 A 81 81 SER HA H 81 4.530 5.048 -0.518 1
1 837 . 3 1 1 A 81 81 SER C C 81 173.982 173.849 0.133 1
1 838 . 3 1 1 A 81 81 SER CA C 81 58.416 56.612 1.804 1
1 839 . 3 1 1 A 81 81 SER CB C 81 64.082 65.745 -1.663 1
1 840 . 3 1 1 A 81 81 SER N N 81 117.964 119.741 -1.777 1
1 1 . 4 1 1 A 9 9 HIS HA H 9 4.627 5.235 -0.608 1
1 5 . 4 1 1 A 9 9 HIS C C 9 175.239 173.288 1.951 1
1 6 . 4 1 1 A 9 9 HIS CA C 9 56.347 54.744 1.603 1
1 7 . 4 1 1 A 9 9 HIS CB C 9 30.681 32.221 -1.540 1
1 9 . 4 1 1 A 10 10 GLN H H 10 8.313 8.774 -0.461 1
1 10 . 4 1 1 A 10 10 GLN HA H 10 4.323 4.790 -0.467 1
1 17 . 4 1 1 A 10 10 GLN C C 10 175.703 174.106 1.597 1
1 18 . 4 1 1 A 10 10 GLN CA C 10 55.875 55.139 0.736 1
1 19 . 4 1 1 A 10 10 GLN CB C 10 29.726 32.609 -2.883 1
1 21 . 4 1 1 A 10 10 GLN N N 10 122.031 120.431 1.600 1
1 23 . 4 1 1 A 11 11 GLU H H 11 8.546 8.830 -0.284 1
1 24 . 4 1 1 A 11 11 GLU HA H 11 4.275 4.907 -0.632 1
1 29 . 4 1 1 A 11 11 GLU C C 11 176.303 176.625 -0.322 1
1 30 . 4 1 1 A 11 11 GLU CA C 11 56.472 54.770 1.702 1
1 31 . 4 1 1 A 11 11 GLU CB C 11 30.303 33.397 -3.094 1
1 33 . 4 1 1 A 11 11 GLU N N 11 122.648 122.277 0.371 1
1 34 . 4 1 1 A 12 12 ALA H H 12 8.403 8.638 -0.235 1
1 35 . 4 1 1 A 12 12 ALA HA H 12 4.288 4.018 0.270 1
1 39 . 4 1 1 A 12 12 ALA C C 12 178.231 177.980 0.251 1
1 40 . 4 1 1 A 12 12 ALA CA C 12 52.759 54.153 -1.394 1
1 41 . 4 1 1 A 12 12 ALA CB C 12 19.237 19.120 0.117 1
1 42 . 4 1 1 A 12 12 ALA N N 12 125.516 124.628 0.888 1
1 43 . 4 1 1 A 13 13 GLY H H 13 8.490 8.192 0.298 1
1 44 . 4 1 1 A 13 13 GLY HA2 H 13 3.994 3.903 0.091 1
1 45 . 4 1 1 A 13 13 GLY HA3 H 13 3.890 3.907 -0.017 1
1 46 . 4 1 1 A 13 13 GLY C C 13 174.176 173.411 0.765 1
1 47 . 4 1 1 A 13 13 GLY CA C 13 45.094 47.295 -2.201 1
1 48 . 4 1 1 A 13 13 GLY N N 13 108.839 105.508 3.331 1
1 49 . 4 1 1 A 14 14 ALA H H 14 8.172 8.094 0.078 1
1 50 . 4 1 1 A 14 14 ALA HA H 14 4.246 4.846 -0.600 1
1 54 . 4 1 1 A 14 14 ALA C C 14 178.304 176.132 2.172 1
1 55 . 4 1 1 A 14 14 ALA CA C 14 52.988 51.745 1.243 1
1 56 . 4 1 1 A 14 14 ALA CB C 14 19.228 21.329 -2.101 1
1 57 . 4 1 1 A 14 14 ALA N N 14 123.459 125.767 -2.308 1
1 58 . 4 1 1 A 15 15 GLY H H 15 8.329 9.193 -0.864 1
1 59 . 4 1 1 A 15 15 GLY HA2 H 15 3.578 3.848 -0.270 1
1 60 . 4 1 1 A 15 15 GLY HA3 H 15 3.578 3.894 -0.316 1
1 61 . 4 1 1 A 15 15 GLY C C 15 173.577 174.646 -1.069 1
1 62 . 4 1 1 A 15 15 GLY CA C 15 45.128 47.172 -2.044 1
1 63 . 4 1 1 A 15 15 GLY N N 15 107.276 112.663 -5.387 1
1 64 . 4 1 1 A 16 16 ASP H H 16 7.898 7.740 0.158 1
1 65 . 4 1 1 A 16 16 ASP HA H 16 4.547 4.405 0.142 1
1 68 . 4 1 1 A 16 16 ASP C C 16 174.898 175.071 -0.173 1
1 69 . 4 1 1 A 16 16 ASP CA C 16 54.344 53.271 1.073 1
1 70 . 4 1 1 A 16 16 ASP CB C 16 41.534 40.167 1.367 1
1 71 . 4 1 1 A 16 16 ASP N N 16 118.642 119.869 -1.227 1
1 72 . 4 1 1 A 17 17 LEU H H 17 7.822 7.364 0.458 1
1 73 . 4 1 1 A 17 17 LEU HA H 17 4.446 4.914 -0.468 1
1 83 . 4 1 1 A 17 17 LEU C C 17 175.902 175.800 0.102 1
1 84 . 4 1 1 A 17 17 LEU CA C 17 53.128 52.897 0.231 1
1 85 . 4 1 1 A 17 17 LEU CB C 17 44.656 44.976 -0.320 1
1 89 . 4 1 1 A 17 17 LEU N N 17 119.654 120.102 -0.448 1
1 90 . 4 1 1 A 18 18 CYS H H 18 8.080 8.349 -0.269 1
1 91 . 4 1 1 A 18 18 CYS HA H 18 4.248 4.232 0.016 1
1 94 . 4 1 1 A 18 18 CYS C C 18 177.466 175.074 2.392 1
1 95 . 4 1 1 A 18 18 CYS CA C 18 58.398 59.349 -0.951 1
1 96 . 4 1 1 A 18 18 CYS CB C 18 31.990 27.928 4.062 1
1 97 . 4 1 1 A 18 18 CYS N N 18 123.013 124.461 -1.448 1
1 98 . 4 1 1 A 19 19 ALA H H 19 9.211 8.397 0.814 1
1 99 . 4 1 1 A 19 19 ALA HA H 19 4.172 4.039 0.133 1
1 103 . 4 1 1 A 19 19 ALA C C 19 177.724 179.462 -1.738 1
1 104 . 4 1 1 A 19 19 ALA CA C 19 54.327 53.160 1.167 1
1 105 . 4 1 1 A 19 19 ALA CB C 19 18.662 19.066 -0.404 1
1 106 . 4 1 1 A 19 19 ALA N N 19 132.258 129.025 3.233 1
1 107 . 4 1 1 A 20 20 LEU H H 20 8.911 7.758 1.153 1
1 108 . 4 1 1 A 20 20 LEU HA H 20 4.736 3.996 0.740 1
1 118 . 4 1 1 A 20 20 LEU C C 20 177.779 178.357 -0.578 1
1 119 . 4 1 1 A 20 20 LEU CA C 20 56.935 58.137 -1.202 1
1 120 . 4 1 1 A 20 20 LEU CB C 20 43.750 42.175 1.575 1
1 124 . 4 1 1 A 20 20 LEU N N 20 119.770 119.641 0.129 1
1 125 . 4 1 1 A 21 21 CYS H H 21 8.159 7.262 0.897 1
1 126 . 4 1 1 A 21 21 CYS HA H 21 4.962 4.583 0.379 1
1 129 . 4 1 1 A 21 21 CYS C C 21 176.947 175.494 1.453 1
1 130 . 4 1 1 A 21 21 CYS CA C 21 59.137 59.651 -0.514 1
1 131 . 4 1 1 A 21 21 CYS CB C 21 31.728 29.318 2.410 1
1 132 . 4 1 1 A 21 21 CYS N N 21 116.713 113.220 3.493 1
1 133 . 4 1 1 A 22 22 GLY H H 22 8.088 8.268 -0.180 1
1 134 . 4 1 1 A 22 22 GLY HA2 H 22 4.160 3.917 0.243 1
1 135 . 4 1 1 A 22 22 GLY HA3 H 22 3.865 3.953 -0.088 1
1 136 . 4 1 1 A 22 22 GLY C C 22 173.190 173.929 -0.739 1
1 137 . 4 1 1 A 22 22 GLY CA C 22 46.556 45.643 0.913 1
1 138 . 4 1 1 A 22 22 GLY N N 22 112.000 109.927 2.073 1
1 139 . 4 1 1 A 23 23 GLU H H 23 8.378 7.907 0.471 1
1 140 . 4 1 1 A 23 23 GLU HA H 23 4.712 4.779 -0.067 1
1 145 . 4 1 1 A 23 23 GLU C C 23 176.434 175.759 0.675 1
1 146 . 4 1 1 A 23 23 GLU CA C 23 55.014 54.523 0.491 1
1 147 . 4 1 1 A 23 23 GLU CB C 23 31.557 32.808 -1.251 1
1 149 . 4 1 1 A 23 23 GLU N N 23 118.877 119.049 -0.172 1
1 150 . 4 1 1 A 24 24 HIS H H 24 8.666 8.829 -0.163 1
1 151 . 4 1 1 A 24 24 HIS HA H 24 4.333 4.515 -0.182 1
1 156 . 4 1 1 A 24 24 HIS C C 24 175.281 174.461 0.820 1
1 157 . 4 1 1 A 24 24 HIS CA C 24 58.186 57.717 0.469 1
1 158 . 4 1 1 A 24 24 HIS CB C 24 30.099 30.889 -0.790 1
1 161 . 4 1 1 A 24 24 HIS N N 24 118.732 121.409 -2.677 1
1 162 . 4 1 1 A 25 25 LEU H H 25 7.928 8.445 -0.517 1
1 163 . 4 1 1 A 25 25 LEU HA H 25 4.174 5.152 -0.978 1
1 173 . 4 1 1 A 25 25 LEU C C 25 175.186 175.248 -0.062 1
1 174 . 4 1 1 A 25 25 LEU CA C 25 53.992 53.863 0.129 1
1 175 . 4 1 1 A 25 25 LEU CB C 25 43.742 45.047 -1.305 1
1 179 . 4 1 1 A 25 25 LEU N N 25 125.590 125.055 0.535 1
1 180 . 4 1 1 A 26 26 TYR H H 26 8.768 8.793 -0.025 1
1 181 . 4 1 1 A 26 26 TYR HA H 26 4.651 5.039 -0.388 1
1 188 . 4 1 1 A 26 26 TYR C C 26 177.267 176.289 0.978 1
1 189 . 4 1 1 A 26 26 TYR CA C 26 57.270 56.242 1.028 1
1 190 . 4 1 1 A 26 26 TYR CB C 26 38.210 40.727 -2.517 1
1 195 . 4 1 1 A 26 26 TYR N N 26 123.119 123.897 -0.778 1
1 196 . 4 1 1 A 27 27 VAL H H 27 8.086 7.660 0.426 1
1 197 . 4 1 1 A 27 27 VAL HA H 27 3.809 3.512 0.297 1
1 205 . 4 1 1 A 27 27 VAL C C 27 176.958 177.443 -0.485 1
1 206 . 4 1 1 A 27 27 VAL CA C 27 64.551 66.354 -1.803 1
1 207 . 4 1 1 A 27 27 VAL CB C 27 31.788 31.732 0.056 1
1 210 . 4 1 1 A 27 27 VAL N N 27 121.055 124.911 -3.856 1
1 211 . 4 1 1 A 28 28 LEU H H 28 7.665 7.813 -0.148 1
1 212 . 4 1 1 A 28 28 LEU HA H 28 4.285 4.380 -0.095 1
1 222 . 4 1 1 A 28 28 LEU C C 28 177.710 177.059 0.651 1
1 223 . 4 1 1 A 28 28 LEU CA C 28 56.297 55.401 0.896 1
1 224 . 4 1 1 A 28 28 LEU CB C 28 41.998 41.942 0.056 1
1 228 . 4 1 1 A 28 28 LEU N N 28 119.062 118.232 0.830 1
1 229 . 4 1 1 A 29 29 GLU H H 29 7.961 7.952 0.009 1
1 230 . 4 1 1 A 29 29 GLU HA H 29 4.479 4.642 -0.163 1
1 235 . 4 1 1 A 29 29 GLU C C 29 175.755 175.252 0.503 1
1 236 . 4 1 1 A 29 29 GLU CA C 29 56.248 56.234 0.014 1
1 237 . 4 1 1 A 29 29 GLU CB C 29 30.550 30.043 0.507 1
1 239 . 4 1 1 A 29 29 GLU N N 29 117.067 118.466 -1.399 1
1 240 . 4 1 1 A 30 30 ARG H H 30 7.724 7.923 -0.199 1
1 241 . 4 1 1 A 30 30 ARG HA H 30 4.688 5.380 -0.692 1
1 248 . 4 1 1 A 30 30 ARG C C 30 174.546 174.012 0.534 1
1 249 . 4 1 1 A 30 30 ARG CA C 30 55.948 55.149 0.799 1
1 250 . 4 1 1 A 30 30 ARG CB C 30 33.034 34.052 -1.018 1
1 253 . 4 1 1 A 30 30 ARG N N 30 120.305 117.536 2.769 1
1 254 . 4 1 1 A 31 31 LEU H H 31 8.970 9.358 -0.388 1
1 255 . 4 1 1 A 31 31 LEU HA H 31 4.635 4.807 -0.172 1
1 265 . 4 1 1 A 31 31 LEU C C 31 174.536 175.363 -0.827 1
1 266 . 4 1 1 A 31 31 LEU CA C 31 54.168 53.703 0.465 1
1 267 . 4 1 1 A 31 31 LEU CB C 31 45.021 42.966 2.055 1
1 271 . 4 1 1 A 31 31 LEU N N 31 124.553 124.642 -0.089 1
1 272 . 4 1 1 A 32 32 CYS H H 32 8.558 8.688 -0.130 1
1 273 . 4 1 1 A 32 32 CYS HA H 32 4.954 4.234 0.720 1
1 276 . 4 1 1 A 32 32 CYS C C 32 174.418 173.858 0.560 1
1 277 . 4 1 1 A 32 32 CYS CA C 32 56.874 58.499 -1.625 1
1 278 . 4 1 1 A 32 32 CYS CB C 32 28.054 27.147 0.907 1
1 279 . 4 1 1 A 32 32 CYS N N 32 124.126 124.423 -0.297 1
1 280 . 4 1 1 A 33 33 VAL H H 33 8.893 9.037 -0.144 1
1 281 . 4 1 1 A 33 33 VAL HA H 33 4.103 4.454 -0.351 1
1 289 . 4 1 1 A 33 33 VAL C C 33 175.525 175.951 -0.426 1
1 290 . 4 1 1 A 33 33 VAL CA C 33 61.551 61.093 0.458 1
1 291 . 4 1 1 A 33 33 VAL CB C 33 34.027 33.784 0.243 1
1 294 . 4 1 1 A 33 33 VAL N N 33 129.037 125.273 3.764 1
1 295 . 4 1 1 A 34 34 ASN HA H 34 4.389 4.406 -0.017 1
1 300 . 4 1 1 A 34 34 ASN C C 34 174.946 175.263 -0.317 1
1 301 . 4 1 1 A 34 34 ASN CA C 34 53.922 54.568 -0.646 1
1 302 . 4 1 1 A 34 34 ASN CB C 34 37.332 37.319 0.013 1
1 304 . 4 1 1 A 35 35 GLY H H 35 7.896 8.152 -0.256 1
1 305 . 4 1 1 A 35 35 GLY HA2 H 35 3.891 3.600 0.291 1
1 306 . 4 1 1 A 35 35 GLY HA3 H 35 3.180 3.614 -0.434 1
1 307 . 4 1 1 A 35 35 GLY C C 35 172.892 173.908 -1.016 1
1 308 . 4 1 1 A 35 35 GLY CA C 35 45.290 45.060 0.230 1
1 309 . 4 1 1 A 35 35 GLY N N 35 102.630 104.258 -1.628 1
1 310 . 4 1 1 A 36 36 HIS H H 36 7.694 7.689 0.005 1
1 311 . 4 1 1 A 36 36 HIS HA H 36 4.433 4.435 -0.002 1
1 315 . 4 1 1 A 36 36 HIS C C 36 172.910 174.417 -1.507 1
1 316 . 4 1 1 A 36 36 HIS CA C 36 54.433 56.206 -1.773 1
1 317 . 4 1 1 A 36 36 HIS CB C 36 32.464 30.867 1.597 1
1 319 . 4 1 1 A 36 36 HIS N N 36 119.651 118.544 1.107 1
1 320 . 4 1 1 A 37 37 PHE H H 37 8.502 9.010 -0.508 1
1 321 . 4 1 1 A 37 37 PHE HA H 37 5.314 5.519 -0.205 1
1 329 . 4 1 1 A 37 37 PHE C C 37 174.239 174.400 -0.161 1
1 330 . 4 1 1 A 37 37 PHE CA C 37 56.424 56.025 0.399 1
1 331 . 4 1 1 A 37 37 PHE CB C 37 41.572 41.573 -0.001 1
1 337 . 4 1 1 A 37 37 PHE N N 37 119.583 120.191 -0.608 1
1 338 . 4 1 1 A 38 38 PHE H H 38 8.664 9.214 -0.550 1
1 339 . 4 1 1 A 38 38 PHE HA H 38 5.866 4.941 0.925 1
1 347 . 4 1 1 A 38 38 PHE C C 38 177.496 175.148 2.348 1
1 348 . 4 1 1 A 38 38 PHE CA C 38 55.296 56.379 -1.083 1
1 349 . 4 1 1 A 38 38 PHE CB C 38 44.392 43.163 1.229 1
1 355 . 4 1 1 A 38 38 PHE N N 38 116.719 119.558 -2.839 1
1 356 . 4 1 1 A 39 39 HIS H H 39 8.854 8.302 0.552 1
1 357 . 4 1 1 A 39 39 HIS HA H 39 4.675 4.713 -0.038 1
1 362 . 4 1 1 A 39 39 HIS C C 39 178.476 176.890 1.586 1
1 363 . 4 1 1 A 39 39 HIS CA C 39 59.297 56.893 2.404 1
1 364 . 4 1 1 A 39 39 HIS CB C 39 30.980 30.646 0.334 1
1 367 . 4 1 1 A 39 39 HIS N N 39 120.015 119.699 0.316 1
1 368 . 4 1 1 A 40 40 ARG H H 40 9.256 9.279 -0.023 1
1 369 . 4 1 1 A 40 40 ARG HA H 40 3.965 4.119 -0.154 1
1 376 . 4 1 1 A 40 40 ARG C C 40 179.459 177.243 2.216 1
1 377 . 4 1 1 A 40 40 ARG CA C 40 60.547 58.792 1.755 1
1 378 . 4 1 1 A 40 40 ARG CB C 40 29.598 29.940 -0.342 1
1 381 . 4 1 1 A 40 40 ARG N N 40 126.206 123.572 2.634 1
1 382 . 4 1 1 A 41 41 SER H H 41 8.643 7.940 0.703 1
1 383 . 4 1 1 A 41 41 SER HA H 41 4.221 4.367 -0.146 1
1 386 . 4 1 1 A 41 41 SER C C 41 175.499 175.820 -0.321 1
1 387 . 4 1 1 A 41 41 SER CA C 41 60.160 61.856 -1.696 1
1 388 . 4 1 1 A 41 41 SER CB C 41 62.847 63.991 -1.144 1
1 389 . 4 1 1 A 41 41 SER N N 41 109.970 115.173 -5.203 1
1 390 . 4 1 1 A 42 42 CYS H H 42 7.427 8.306 -0.879 1
1 391 . 4 1 1 A 42 42 CYS HA H 42 4.306 4.117 0.189 1
1 394 . 4 1 1 A 42 42 CYS C C 42 174.200 176.114 -1.914 1
1 395 . 4 1 1 A 42 42 CYS CA C 42 61.569 63.391 -1.822 1
1 396 . 4 1 1 A 42 42 CYS CB C 42 30.945 26.850 4.095 1
1 397 . 4 1 1 A 42 42 CYS N N 42 118.020 119.851 -1.831 1
1 398 . 4 1 1 A 43 43 PHE H H 43 7.257 7.628 -0.371 1
1 399 . 4 1 1 A 43 43 PHE HA H 43 4.122 4.215 -0.093 1
1 407 . 4 1 1 A 43 43 PHE C C 43 172.037 174.649 -2.612 1
1 408 . 4 1 1 A 43 43 PHE CA C 43 57.112 58.791 -1.679 1
1 409 . 4 1 1 A 43 43 PHE CB C 43 37.448 38.784 -1.336 1
1 415 . 4 1 1 A 43 43 PHE N N 43 122.965 120.891 2.074 1
1 416 . 4 1 1 A 44 44 ARG H H 44 7.110 8.239 -1.129 1
1 417 . 4 1 1 A 44 44 ARG HA H 44 4.821 4.933 -0.112 1
1 424 . 4 1 1 A 44 44 ARG C C 44 174.097 174.801 -0.704 1
1 425 . 4 1 1 A 44 44 ARG CA C 44 53.323 53.282 0.041 1
1 426 . 4 1 1 A 44 44 ARG CB C 44 34.911 34.323 0.588 1
1 429 . 4 1 1 A 44 44 ARG N N 44 123.199 125.546 -2.347 1
1 430 . 4 1 1 A 45 45 CYS H H 45 8.580 8.465 0.115 1
1 431 . 4 1 1 A 45 45 CYS HA H 45 4.055 4.411 -0.356 1
1 434 . 4 1 1 A 45 45 CYS C C 45 177.493 175.354 2.139 1
1 435 . 4 1 1 A 45 45 CYS CA C 45 59.878 59.632 0.246 1
1 436 . 4 1 1 A 45 45 CYS CB C 45 32.052 28.798 3.254 1
1 437 . 4 1 1 A 45 45 CYS N N 45 121.527 121.151 0.376 1
1 438 . 4 1 1 A 46 46 HIS H H 46 9.187 8.601 0.586 1
1 439 . 4 1 1 A 46 46 HIS HA H 46 4.184 4.598 -0.414 1
1 443 . 4 1 1 A 46 46 HIS C C 46 175.000 176.179 -1.179 1
1 444 . 4 1 1 A 46 46 HIS CA C 46 59.137 57.199 1.938 1
1 445 . 4 1 1 A 46 46 HIS CB C 46 29.560 30.574 -1.014 1
1 447 . 4 1 1 A 46 46 HIS N N 46 130.205 125.159 5.046 1
1 448 . 4 1 1 A 47 47 THR H H 47 8.848 7.602 1.246 1
1 449 . 4 1 1 A 47 47 THR HA H 47 4.134 4.449 -0.315 1
1 454 . 4 1 1 A 47 47 THR C C 47 174.926 175.873 -0.947 1
1 455 . 4 1 1 A 47 47 THR CA C 47 65.535 63.347 2.188 1
1 456 . 4 1 1 A 47 47 THR CB C 47 70.010 70.681 -0.671 1
1 458 . 4 1 1 A 47 47 THR N N 47 116.066 111.790 4.276 1
1 459 . 4 1 1 A 48 48 CYS H H 48 8.181 8.161 0.020 1
1 460 . 4 1 1 A 48 48 CYS HA H 48 4.821 4.596 0.225 1
1 463 . 4 1 1 A 48 48 CYS C C 48 176.004 174.601 1.403 1
1 464 . 4 1 1 A 48 48 CYS CA C 48 59.050 58.377 0.673 1
1 465 . 4 1 1 A 48 48 CYS CB C 48 32.944 29.580 3.364 1
1 466 . 4 1 1 A 48 48 CYS N N 48 119.626 116.276 3.350 1
1 467 . 4 1 1 A 49 49 GLU H H 49 8.081 8.023 0.058 1
1 468 . 4 1 1 A 49 49 GLU HA H 49 3.865 4.169 -0.304 1
1 473 . 4 1 1 A 49 49 GLU C C 49 174.137 174.706 -0.569 1
1 474 . 4 1 1 A 49 49 GLU CA C 49 58.732 57.527 1.205 1
1 475 . 4 1 1 A 49 49 GLU CB C 49 27.345 27.142 0.203 1
1 477 . 4 1 1 A 49 49 GLU N N 49 116.307 116.912 -0.605 1
1 478 . 4 1 1 A 50 50 ALA H H 50 8.498 7.783 0.715 1
1 479 . 4 1 1 A 50 50 ALA HA H 50 4.388 4.596 -0.208 1
1 483 . 4 1 1 A 50 50 ALA C C 50 178.362 176.905 1.457 1
1 484 . 4 1 1 A 50 50 ALA CA C 50 53.111 50.428 2.683 1
1 485 . 4 1 1 A 50 50 ALA CB C 50 20.334 20.682 -0.348 1
1 486 . 4 1 1 A 50 50 ALA N N 50 124.211 120.801 3.410 1
1 487 . 4 1 1 A 51 51 THR H H 51 8.470 8.503 -0.033 1
1 488 . 4 1 1 A 51 51 THR HA H 51 3.811 3.906 -0.095 1
1 493 . 4 1 1 A 51 51 THR C C 51 173.931 173.739 0.192 1
1 494 . 4 1 1 A 51 51 THR CA C 51 64.345 63.631 0.714 1
1 495 . 4 1 1 A 51 51 THR CB C 51 69.428 67.934 1.494 1
1 497 . 4 1 1 A 51 51 THR N N 51 117.025 116.992 0.033 1
1 498 . 4 1 1 A 52 52 LEU H H 52 7.421 7.936 -0.515 1
1 499 . 4 1 1 A 52 52 LEU HA H 52 4.439 4.412 0.027 1
1 509 . 4 1 1 A 52 52 LEU C C 52 175.390 175.653 -0.263 1
1 510 . 4 1 1 A 52 52 LEU CA C 52 53.728 54.357 -0.629 1
1 511 . 4 1 1 A 52 52 LEU CB C 52 42.020 40.603 1.417 1
1 515 . 4 1 1 A 52 52 LEU N N 52 125.339 127.587 -2.248 1
1 516 . 4 1 1 A 53 53 TRP H H 53 8.089 8.042 0.047 1
1 517 . 4 1 1 A 53 53 TRP HA H 53 5.148 4.807 0.341 1
1 526 . 4 1 1 A 53 53 TRP C C 53 173.534 175.286 -1.752 1
1 527 . 4 1 1 A 53 53 TRP CA C 53 54.345 56.513 -2.168 1
1 528 . 4 1 1 A 53 53 TRP CB C 53 30.134 28.889 1.245 1
1 534 . 4 1 1 A 53 53 TRP N N 53 120.731 126.781 -6.050 1
1 536 . 4 1 1 A 54 54 PRO HA H 54 4.553 4.725 -0.172 1
1 543 . 4 1 1 A 54 54 PRO CA C 54 64.882 63.255 1.627 1
1 544 . 4 1 1 A 54 54 PRO CB C 54 31.969 30.027 1.942 1
1 547 . 4 1 1 A 55 55 GLY HA2 H 55 4.330 4.099 0.231 1
1 548 . 4 1 1 A 55 55 GLY HA3 H 55 3.795 4.127 -0.332 1
1 549 . 4 1 1 A 55 55 GLY C C 55 175.195 175.147 0.048 1
1 550 . 4 1 1 A 55 55 GLY CA C 55 45.586 45.267 0.319 1
1 551 . 4 1 1 A 56 56 GLY H H 56 8.653 8.335 0.318 1
1 552 . 4 1 1 A 56 56 GLY HA2 H 56 4.567 4.248 0.319 1
1 553 . 4 1 1 A 56 56 GLY HA3 H 56 3.380 4.339 -0.959 1
1 554 . 4 1 1 A 56 56 GLY C C 56 174.377 173.657 0.720 1
1 555 . 4 1 1 A 56 56 GLY CA C 56 45.237 45.773 -0.536 1
1 556 . 4 1 1 A 56 56 GLY N N 56 107.803 107.545 0.258 1
1 557 . 4 1 1 A 57 57 TYR H H 57 7.269 7.705 -0.436 1
1 558 . 4 1 1 A 57 57 TYR HA H 57 5.600 5.270 0.330 1
1 565 . 4 1 1 A 57 57 TYR C C 57 173.258 173.680 -0.422 1
1 566 . 4 1 1 A 57 57 TYR CA C 57 55.666 56.439 -0.773 1
1 567 . 4 1 1 A 57 57 TYR CB C 57 44.451 40.970 3.481 1
1 572 . 4 1 1 A 57 57 TYR N N 57 116.315 116.841 -0.526 1
1 573 . 4 1 1 A 58 58 GLU H H 58 8.948 9.163 -0.215 1
1 574 . 4 1 1 A 58 58 GLU HA H 58 4.546 4.797 -0.251 1
1 579 . 4 1 1 A 58 58 GLU C C 58 174.242 174.589 -0.347 1
1 580 . 4 1 1 A 58 58 GLU CA C 58 55.790 55.396 0.394 1
1 581 . 4 1 1 A 58 58 GLU CB C 58 35.177 34.081 1.096 1
1 583 . 4 1 1 A 58 58 GLU N N 58 117.931 119.301 -1.370 1
1 584 . 4 1 1 A 59 59 GLN H H 59 9.205 8.837 0.368 1
1 585 . 4 1 1 A 59 59 GLN HA H 59 4.760 4.933 -0.173 1
1 592 . 4 1 1 A 59 59 GLN C C 59 175.807 175.211 0.596 1
1 593 . 4 1 1 A 59 59 GLN CA C 59 53.904 54.064 -0.160 1
1 594 . 4 1 1 A 59 59 GLN CB C 59 29.530 29.327 0.203 1
1 596 . 4 1 1 A 59 59 GLN N N 59 123.928 123.577 0.351 1
1 598 . 4 1 1 A 60 60 HIS H H 60 9.330 9.003 0.327 1
1 599 . 4 1 1 A 60 60 HIS HA H 60 4.945 4.436 0.509 1
1 604 . 4 1 1 A 60 60 HIS C C 60 175.428 175.609 -0.181 1
1 605 . 4 1 1 A 60 60 HIS CA C 60 54.556 55.210 -0.654 1
1 606 . 4 1 1 A 60 60 HIS CB C 60 32.329 30.978 1.351 1
1 609 . 4 1 1 A 60 60 HIS N N 60 131.634 127.484 4.150 1
1 610 . 4 1 1 A 61 61 PRO HA H 61 4.269 4.161 0.108 1
1 617 . 4 1 1 A 61 61 PRO CA C 61 64.043 64.724 -0.681 1
1 618 . 4 1 1 A 61 61 PRO CB C 61 31.752 31.759 -0.007 1
1 621 . 4 1 1 A 62 62 GLY H H 62 7.210 8.115 -0.905 1
1 622 . 4 1 1 A 62 62 GLY HA2 H 62 3.928 3.788 0.140 1
1 623 . 4 1 1 A 62 62 GLY HA3 H 62 3.666 3.978 -0.312 1
1 624 . 4 1 1 A 62 62 GLY CA C 62 46.610 47.244 -0.634 1
1 625 . 4 1 1 A 62 62 GLY N N 62 105.065 106.051 -0.986 1
1 626 . 4 1 1 A 63 63 ASP H H 63 8.237 8.023 0.214 1
1 627 . 4 1 1 A 63 63 ASP HA H 63 4.648 4.551 0.097 1
1 630 . 4 1 1 A 63 63 ASP C C 63 177.303 176.492 0.811 1
1 631 . 4 1 1 A 63 63 ASP CA C 63 53.182 55.535 -2.353 1
1 632 . 4 1 1 A 63 63 ASP CB C 63 42.216 41.462 0.754 1
1 633 . 4 1 1 A 63 63 ASP N N 63 118.685 120.707 -2.022 1
1 634 . 4 1 1 A 64 64 GLY H H 64 8.315 7.864 0.451 1
1 635 . 4 1 1 A 64 64 GLY HA2 H 64 3.900 4.048 -0.148 1
1 636 . 4 1 1 A 64 64 GLY HA3 H 64 3.635 4.068 -0.433 1
1 637 . 4 1 1 A 64 64 GLY C C 64 174.457 173.812 0.645 1
1 638 . 4 1 1 A 64 64 GLY CA C 64 46.004 45.463 0.541 1
1 639 . 4 1 1 A 64 64 GLY N N 64 109.742 106.276 3.466 1
1 640 . 4 1 1 A 65 65 HIS H H 65 9.101 8.106 0.995 1
1 641 . 4 1 1 A 65 65 HIS HA H 65 4.675 5.094 -0.419 1
1 645 . 4 1 1 A 65 65 HIS C C 65 173.603 173.426 0.177 1
1 646 . 4 1 1 A 65 65 HIS CA C 65 55.208 54.468 0.740 1
1 647 . 4 1 1 A 65 65 HIS CB C 65 30.321 34.201 -3.880 1
1 649 . 4 1 1 A 65 65 HIS N N 65 121.111 116.589 4.522 1
1 650 . 4 1 1 A 66 66 PHE H H 66 8.841 8.510 0.331 1
1 651 . 4 1 1 A 66 66 PHE HA H 66 5.005 5.306 -0.301 1
1 659 . 4 1 1 A 66 66 PHE C C 66 174.272 174.329 -0.057 1
1 660 . 4 1 1 A 66 66 PHE CA C 66 57.904 56.185 1.719 1
1 661 . 4 1 1 A 66 66 PHE CB C 66 40.990 41.530 -0.540 1
1 667 . 4 1 1 A 66 66 PHE N N 66 118.465 117.363 1.102 1
1 668 . 4 1 1 A 67 67 TYR H H 67 8.714 9.359 -0.645 1
1 669 . 4 1 1 A 67 67 TYR HA H 67 5.676 5.186 0.490 1
1 676 . 4 1 1 A 67 67 TYR C C 67 176.345 175.809 0.536 1
1 677 . 4 1 1 A 67 67 TYR CA C 67 56.829 56.466 0.363 1
1 678 . 4 1 1 A 67 67 TYR CB C 67 43.668 43.480 0.188 1
1 683 . 4 1 1 A 67 67 TYR N N 67 117.828 120.845 -3.017 1
1 684 . 4 1 1 A 68 68 CYS H H 68 9.524 8.719 0.805 1
1 685 . 4 1 1 A 68 68 CYS HA H 68 5.152 4.925 0.227 1
1 688 . 4 1 1 A 68 68 CYS C C 68 176.563 176.406 0.157 1
1 689 . 4 1 1 A 68 68 CYS CA C 68 58.468 58.059 0.409 1
1 690 . 4 1 1 A 68 68 CYS CB C 68 29.373 29.811 -0.438 1
1 691 . 4 1 1 A 68 68 CYS N N 68 120.631 120.326 0.305 1
1 692 . 4 1 1 A 69 69 LEU H H 69 7.630 8.748 -1.118 1
1 693 . 4 1 1 A 69 69 LEU HA H 69 3.952 4.386 -0.434 1
1 703 . 4 1 1 A 69 69 LEU C C 69 179.373 176.764 2.609 1
1 704 . 4 1 1 A 69 69 LEU CA C 69 58.080 55.595 2.485 1
1 705 . 4 1 1 A 69 69 LEU CB C 69 40.125 41.095 -0.970 1
1 709 . 4 1 1 A 69 69 LEU N N 69 117.279 122.293 -5.014 1
1 710 . 4 1 1 A 70 70 GLN H H 70 8.159 8.227 -0.068 1
1 711 . 4 1 1 A 70 70 GLN HA H 70 4.106 4.617 -0.511 1
1 718 . 4 1 1 A 70 70 GLN C C 70 177.094 176.841 0.253 1
1 719 . 4 1 1 A 70 70 GLN CA C 70 57.781 55.969 1.812 1
1 720 . 4 1 1 A 70 70 GLN CB C 70 28.537 30.484 -1.947 1
1 722 . 4 1 1 A 70 70 GLN N N 70 115.749 119.135 -3.386 1
1 724 . 4 1 1 A 71 71 HIS H H 71 7.651 7.730 -0.079 1
1 725 . 4 1 1 A 71 71 HIS HA H 71 4.917 4.746 0.171 1
1 730 . 4 1 1 A 71 71 HIS C C 71 173.431 175.057 -1.626 1
1 731 . 4 1 1 A 71 71 HIS CA C 71 56.142 56.237 -0.095 1
1 732 . 4 1 1 A 71 71 HIS CB C 71 33.010 31.629 1.381 1
1 735 . 4 1 1 A 71 71 HIS N N 71 116.846 115.963 0.883 1
1 736 . 4 1 1 A 72 72 LEU H H 72 7.154 7.650 -0.496 1
1 737 . 4 1 1 A 72 72 LEU HA H 72 3.772 4.182 -0.410 1
1 747 . 4 1 1 A 72 72 LEU C C 72 174.748 175.056 -0.308 1
1 748 . 4 1 1 A 72 72 LEU CA C 72 53.499 53.324 0.175 1
1 749 . 4 1 1 A 72 72 LEU CB C 72 42.729 42.981 -0.252 1
1 753 . 4 1 1 A 72 72 LEU N N 72 124.029 122.169 1.860 1
1 754 . 4 1 1 A 73 73 PRO HA H 73 4.145 4.455 -0.310 1
1 761 . 4 1 1 A 73 73 PRO C C 73 175.785 175.486 0.299 1
1 762 . 4 1 1 A 73 73 PRO CA C 73 63.050 62.154 0.896 1
1 763 . 4 1 1 A 73 73 PRO CB C 73 32.055 32.657 -0.602 1
1 766 . 4 1 1 A 74 74 GLN H H 74 8.359 8.702 -0.343 1
1 767 . 4 1 1 A 74 74 GLN HA H 74 4.386 4.997 -0.611 1
1 774 . 4 1 1 A 74 74 GLN C C 74 176.731 175.843 0.888 1
1 775 . 4 1 1 A 74 74 GLN CA C 74 55.526 54.838 0.688 1
1 776 . 4 1 1 A 74 74 GLN CB C 74 29.817 31.481 -1.664 1
1 778 . 4 1 1 A 74 74 GLN N N 74 120.467 119.030 1.437 1
1 780 . 4 1 1 A 75 75 THR H H 75 8.368 9.005 -0.637 1
1 781 . 4 1 1 A 75 75 THR HA H 75 4.390 4.120 0.270 1
1 786 . 4 1 1 A 75 75 THR C C 75 174.257 174.287 -0.030 1
1 787 . 4 1 1 A 75 75 THR CA C 75 61.993 65.105 -3.112 1
1 788 . 4 1 1 A 75 75 THR CB C 75 69.991 69.139 0.852 1
1 790 . 4 1 1 A 75 75 THR N N 75 116.318 120.752 -4.434 1
1 791 . 4 1 1 A 76 76 ASP H H 76 8.528 8.242 0.286 1
1 792 . 4 1 1 A 76 76 ASP HA H 76 4.700 4.345 0.355 1
1 795 . 4 1 1 A 76 76 ASP C C 76 176.200 176.366 -0.166 1
1 796 . 4 1 1 A 76 76 ASP CA C 76 54.363 54.844 -0.481 1
1 797 . 4 1 1 A 76 76 ASP CB C 76 41.362 38.531 2.831 1
1 798 . 4 1 1 A 76 76 ASP N N 76 123.204 120.538 2.666 1
1 799 . 4 1 1 A 77 77 SER H H 77 8.346 8.394 -0.048 1
1 800 . 4 1 1 A 77 77 SER HA H 77 4.497 4.151 0.346 1
1 803 . 4 1 1 A 77 77 SER C C 77 174.724 174.019 0.705 1
1 804 . 4 1 1 A 77 77 SER CA C 77 58.451 59.013 -0.562 1
1 805 . 4 1 1 A 77 77 SER CB C 77 64.101 61.329 2.772 1
1 806 . 4 1 1 A 77 77 SER N N 77 116.515 114.094 2.421 1
1 807 . 4 1 1 A 78 78 GLY H H 78 8.330 8.260 0.070 1
1 808 . 4 1 1 A 78 78 GLY HA2 H 78 4.135 4.011 0.124 1
1 809 . 4 1 1 A 78 78 GLY HA3 H 78 4.135 4.012 0.123 1
1 810 . 4 1 1 A 78 78 GLY C C 78 171.883 173.063 -1.180 1
1 811 . 4 1 1 A 78 78 GLY CA C 78 44.745 44.601 0.144 1
1 812 . 4 1 1 A 78 78 GLY N N 78 110.837 109.004 1.833 1
1 813 . 4 1 1 A 79 79 PRO HA H 79 4.501 4.697 -0.196 1
1 820 . 4 1 1 A 79 79 PRO C C 79 177.463 175.867 1.596 1
1 821 . 4 1 1 A 79 79 PRO CA C 79 63.332 62.741 0.591 1
1 822 . 4 1 1 A 79 79 PRO CB C 79 32.229 31.639 0.590 1
1 825 . 4 1 1 A 80 80 SER H H 80 8.531 8.765 -0.234 1
1 826 . 4 1 1 A 80 80 SER HA H 80 4.521 4.996 -0.475 1
1 829 . 4 1 1 A 80 80 SER C C 80 174.760 173.230 1.530 1
1 830 . 4 1 1 A 80 80 SER CA C 80 58.398 57.820 0.578 1
1 831 . 4 1 1 A 80 80 SER CB C 80 63.978 64.956 -0.978 1
1 832 . 4 1 1 A 80 80 SER N N 80 116.479 120.878 -4.399 1
1 833 . 4 1 1 A 81 81 SER H H 81 8.358 8.895 -0.537 1
1 834 . 4 1 1 A 81 81 SER HA H 81 4.530 5.025 -0.495 1
1 837 . 4 1 1 A 81 81 SER C C 81 173.982 172.537 1.445 1
1 838 . 4 1 1 A 81 81 SER CA C 81 58.416 57.121 1.295 1
1 839 . 4 1 1 A 81 81 SER CB C 81 64.082 66.395 -2.313 1
1 840 . 4 1 1 A 81 81 SER N N 81 117.964 118.970 -1.006 1
1 1 . 5 1 1 A 9 9 HIS HA H 9 4.627 5.537 -0.910 1
1 5 . 5 1 1 A 9 9 HIS C C 9 175.239 172.486 2.753 1
1 6 . 5 1 1 A 9 9 HIS CA C 9 56.347 53.076 3.271 1
1 7 . 5 1 1 A 9 9 HIS CB C 9 30.681 32.825 -2.144 1
1 9 . 5 1 1 A 10 10 GLN H H 10 8.313 8.920 -0.607 1
1 10 . 5 1 1 A 10 10 GLN HA H 10 4.323 5.094 -0.771 1
1 17 . 5 1 1 A 10 10 GLN C C 10 175.703 173.486 2.217 1
1 18 . 5 1 1 A 10 10 GLN CA C 10 55.875 53.637 2.238 1
1 19 . 5 1 1 A 10 10 GLN CB C 10 29.726 32.815 -3.089 1
1 21 . 5 1 1 A 10 10 GLN N N 10 122.031 118.171 3.860 1
1 23 . 5 1 1 A 11 11 GLU H H 11 8.546 8.905 -0.359 1
1 24 . 5 1 1 A 11 11 GLU HA H 11 4.275 5.069 -0.794 1
1 29 . 5 1 1 A 11 11 GLU C C 11 176.303 175.225 1.078 1
1 30 . 5 1 1 A 11 11 GLU CA C 11 56.472 54.257 2.215 1
1 31 . 5 1 1 A 11 11 GLU CB C 11 30.303 33.372 -3.069 1
1 33 . 5 1 1 A 11 11 GLU N N 11 122.648 120.283 2.365 1
1 34 . 5 1 1 A 12 12 ALA H H 12 8.403 8.454 -0.051 1
1 35 . 5 1 1 A 12 12 ALA HA H 12 4.288 4.819 -0.531 1
1 39 . 5 1 1 A 12 12 ALA C C 12 178.231 177.206 1.025 1
1 40 . 5 1 1 A 12 12 ALA CA C 12 52.759 50.722 2.037 1
1 41 . 5 1 1 A 12 12 ALA CB C 12 19.237 21.419 -2.182 1
1 42 . 5 1 1 A 12 12 ALA N N 12 125.516 126.868 -1.352 1
1 43 . 5 1 1 A 13 13 GLY H H 13 8.490 8.200 0.290 1
1 44 . 5 1 1 A 13 13 GLY HA2 H 13 3.994 3.983 0.011 1
1 45 . 5 1 1 A 13 13 GLY HA3 H 13 3.890 3.983 -0.093 1
1 46 . 5 1 1 A 13 13 GLY C C 13 174.176 173.544 0.632 1
1 47 . 5 1 1 A 13 13 GLY CA C 13 45.094 46.715 -1.621 1
1 48 . 5 1 1 A 13 13 GLY N N 13 108.839 109.153 -0.314 1
1 49 . 5 1 1 A 14 14 ALA H H 14 8.172 8.008 0.164 1
1 50 . 5 1 1 A 14 14 ALA HA H 14 4.246 4.472 -0.226 1
1 54 . 5 1 1 A 14 14 ALA C C 14 178.304 178.056 0.248 1
1 55 . 5 1 1 A 14 14 ALA CA C 14 52.988 50.681 2.307 1
1 56 . 5 1 1 A 14 14 ALA CB C 14 19.228 20.493 -1.265 1
1 57 . 5 1 1 A 14 14 ALA N N 14 123.459 121.915 1.544 1
1 58 . 5 1 1 A 15 15 GLY H H 15 8.329 9.001 -0.672 1
1 59 . 5 1 1 A 15 15 GLY HA2 H 15 3.578 3.823 -0.245 1
1 60 . 5 1 1 A 15 15 GLY HA3 H 15 3.578 3.859 -0.281 1
1 61 . 5 1 1 A 15 15 GLY C C 15 173.577 174.571 -0.994 1
1 62 . 5 1 1 A 15 15 GLY CA C 15 45.128 46.698 -1.570 1
1 63 . 5 1 1 A 15 15 GLY N N 15 107.276 112.323 -5.047 1
1 64 . 5 1 1 A 16 16 ASP H H 16 7.898 7.664 0.234 1
1 65 . 5 1 1 A 16 16 ASP HA H 16 4.547 4.457 0.090 1
1 68 . 5 1 1 A 16 16 ASP C C 16 174.898 175.127 -0.229 1
1 69 . 5 1 1 A 16 16 ASP CA C 16 54.344 53.456 0.888 1
1 70 . 5 1 1 A 16 16 ASP CB C 16 41.534 40.218 1.316 1
1 71 . 5 1 1 A 16 16 ASP N N 16 118.642 119.041 -0.399 1
1 72 . 5 1 1 A 17 17 LEU H H 17 7.822 7.350 0.472 1
1 73 . 5 1 1 A 17 17 LEU HA H 17 4.446 4.641 -0.195 1
1 83 . 5 1 1 A 17 17 LEU C C 17 175.902 175.624 0.278 1
1 84 . 5 1 1 A 17 17 LEU CA C 17 53.128 53.077 0.051 1
1 85 . 5 1 1 A 17 17 LEU CB C 17 44.656 45.295 -0.639 1
1 89 . 5 1 1 A 17 17 LEU N N 17 119.654 119.988 -0.334 1
1 90 . 5 1 1 A 18 18 CYS H H 18 8.080 8.455 -0.375 1
1 91 . 5 1 1 A 18 18 CYS HA H 18 4.248 3.960 0.288 1
1 94 . 5 1 1 A 18 18 CYS C C 18 177.466 175.597 1.869 1
1 95 . 5 1 1 A 18 18 CYS CA C 18 58.398 59.299 -0.901 1
1 96 . 5 1 1 A 18 18 CYS CB C 18 31.990 27.729 4.261 1
1 97 . 5 1 1 A 18 18 CYS N N 18 123.013 124.207 -1.194 1
1 98 . 5 1 1 A 19 19 ALA H H 19 9.211 8.070 1.141 1
1 99 . 5 1 1 A 19 19 ALA HA H 19 4.172 3.806 0.366 1
1 103 . 5 1 1 A 19 19 ALA C C 19 177.724 179.688 -1.964 1
1 104 . 5 1 1 A 19 19 ALA CA C 19 54.327 54.192 0.135 1
1 105 . 5 1 1 A 19 19 ALA CB C 19 18.662 18.321 0.341 1
1 106 . 5 1 1 A 19 19 ALA N N 19 132.258 128.477 3.781 1
1 107 . 5 1 1 A 20 20 LEU H H 20 8.911 7.668 1.243 1
1 108 . 5 1 1 A 20 20 LEU HA H 20 4.736 3.933 0.803 1
1 118 . 5 1 1 A 20 20 LEU C C 20 177.779 178.327 -0.548 1
1 119 . 5 1 1 A 20 20 LEU CA C 20 56.935 58.108 -1.173 1
1 120 . 5 1 1 A 20 20 LEU CB C 20 43.750 41.958 1.792 1
1 124 . 5 1 1 A 20 20 LEU N N 20 119.770 118.719 1.051 1
1 125 . 5 1 1 A 21 21 CYS H H 21 8.159 7.788 0.371 1
1 126 . 5 1 1 A 21 21 CYS HA H 21 4.962 4.614 0.348 1
1 129 . 5 1 1 A 21 21 CYS C C 21 176.947 175.919 1.028 1
1 130 . 5 1 1 A 21 21 CYS CA C 21 59.137 59.619 -0.482 1
1 131 . 5 1 1 A 21 21 CYS CB C 21 31.728 29.613 2.115 1
1 132 . 5 1 1 A 21 21 CYS N N 21 116.713 112.784 3.929 1
1 133 . 5 1 1 A 22 22 GLY H H 22 8.088 7.879 0.209 1
1 134 . 5 1 1 A 22 22 GLY HA2 H 22 4.160 3.916 0.244 1
1 135 . 5 1 1 A 22 22 GLY HA3 H 22 3.865 3.962 -0.097 1
1 136 . 5 1 1 A 22 22 GLY C C 22 173.190 175.111 -1.921 1
1 137 . 5 1 1 A 22 22 GLY CA C 22 46.556 46.297 0.259 1
1 138 . 5 1 1 A 22 22 GLY N N 22 112.000 109.700 2.300 1
1 139 . 5 1 1 A 23 23 GLU H H 23 8.378 8.552 -0.174 1
1 140 . 5 1 1 A 23 23 GLU HA H 23 4.712 4.449 0.263 1
1 145 . 5 1 1 A 23 23 GLU C C 23 176.434 176.664 -0.230 1
1 146 . 5 1 1 A 23 23 GLU CA C 23 55.014 58.338 -3.324 1
1 147 . 5 1 1 A 23 23 GLU CB C 23 31.557 30.299 1.258 1
1 149 . 5 1 1 A 23 23 GLU N N 23 118.877 117.943 0.934 1
1 150 . 5 1 1 A 24 24 HIS H H 24 8.666 7.819 0.847 1
1 151 . 5 1 1 A 24 24 HIS HA H 24 4.333 4.847 -0.514 1
1 156 . 5 1 1 A 24 24 HIS C C 24 175.281 173.094 2.187 1
1 157 . 5 1 1 A 24 24 HIS CA C 24 58.186 56.507 1.679 1
1 158 . 5 1 1 A 24 24 HIS CB C 24 30.099 32.745 -2.646 1
1 161 . 5 1 1 A 24 24 HIS N N 24 118.732 115.205 3.527 1
1 162 . 5 1 1 A 25 25 LEU H H 25 7.928 8.360 -0.432 1
1 163 . 5 1 1 A 25 25 LEU HA H 25 4.174 5.265 -1.091 1
1 173 . 5 1 1 A 25 25 LEU C C 25 175.186 175.777 -0.591 1
1 174 . 5 1 1 A 25 25 LEU CA C 25 53.992 53.618 0.374 1
1 175 . 5 1 1 A 25 25 LEU CB C 25 43.742 44.901 -1.159 1
1 179 . 5 1 1 A 25 25 LEU N N 25 125.590 127.720 -2.130 1
1 180 . 5 1 1 A 26 26 TYR H H 26 8.768 8.837 -0.069 1
1 181 . 5 1 1 A 26 26 TYR HA H 26 4.651 5.196 -0.545 1
1 188 . 5 1 1 A 26 26 TYR C C 26 177.267 176.700 0.567 1
1 189 . 5 1 1 A 26 26 TYR CA C 26 57.270 56.667 0.603 1
1 190 . 5 1 1 A 26 26 TYR CB C 26 38.210 41.551 -3.341 1
1 195 . 5 1 1 A 26 26 TYR N N 26 123.119 122.402 0.717 1
1 196 . 5 1 1 A 27 27 VAL H H 27 8.086 7.708 0.378 1
1 197 . 5 1 1 A 27 27 VAL HA H 27 3.809 3.719 0.090 1
1 205 . 5 1 1 A 27 27 VAL C C 27 176.958 176.050 0.908 1
1 206 . 5 1 1 A 27 27 VAL CA C 27 64.551 64.549 0.002 1
1 207 . 5 1 1 A 27 27 VAL CB C 27 31.788 31.227 0.561 1
1 210 . 5 1 1 A 27 27 VAL N N 27 121.055 121.876 -0.821 1
1 211 . 5 1 1 A 28 28 LEU H H 28 7.665 7.222 0.443 1
1 212 . 5 1 1 A 28 28 LEU HA H 28 4.285 4.573 -0.288 1
1 222 . 5 1 1 A 28 28 LEU C C 28 177.710 177.177 0.533 1
1 223 . 5 1 1 A 28 28 LEU CA C 28 56.297 54.534 1.763 1
1 224 . 5 1 1 A 28 28 LEU CB C 28 41.998 42.438 -0.440 1
1 228 . 5 1 1 A 28 28 LEU N N 28 119.062 120.420 -1.358 1
1 229 . 5 1 1 A 29 29 GLU H H 29 7.961 7.878 0.083 1
1 230 . 5 1 1 A 29 29 GLU HA H 29 4.479 4.507 -0.028 1
1 235 . 5 1 1 A 29 29 GLU C C 29 175.755 176.550 -0.795 1
1 236 . 5 1 1 A 29 29 GLU CA C 29 56.248 57.348 -1.100 1
1 237 . 5 1 1 A 29 29 GLU CB C 29 30.550 32.450 -1.900 1
1 239 . 5 1 1 A 29 29 GLU N N 29 117.067 116.779 0.288 1
1 240 . 5 1 1 A 30 30 ARG H H 30 7.724 7.859 -0.135 1
1 241 . 5 1 1 A 30 30 ARG HA H 30 4.688 4.366 0.322 1
1 248 . 5 1 1 A 30 30 ARG C C 30 174.546 175.581 -1.035 1
1 249 . 5 1 1 A 30 30 ARG CA C 30 55.948 56.427 -0.479 1
1 250 . 5 1 1 A 30 30 ARG CB C 30 33.034 30.622 2.412 1
1 253 . 5 1 1 A 30 30 ARG N N 30 120.305 118.565 1.740 1
1 254 . 5 1 1 A 31 31 LEU H H 31 8.970 8.739 0.231 1
1 255 . 5 1 1 A 31 31 LEU HA H 31 4.635 4.775 -0.140 1
1 265 . 5 1 1 A 31 31 LEU C C 31 174.536 175.301 -0.765 1
1 266 . 5 1 1 A 31 31 LEU CA C 31 54.168 53.956 0.212 1
1 267 . 5 1 1 A 31 31 LEU CB C 31 45.021 44.260 0.761 1
1 271 . 5 1 1 A 31 31 LEU N N 31 124.553 123.141 1.412 1
1 272 . 5 1 1 A 32 32 CYS H H 32 8.558 8.992 -0.434 1
1 273 . 5 1 1 A 32 32 CYS HA H 32 4.954 4.564 0.390 1
1 276 . 5 1 1 A 32 32 CYS C C 32 174.418 173.939 0.479 1
1 277 . 5 1 1 A 32 32 CYS CA C 32 56.874 59.380 -2.506 1
1 278 . 5 1 1 A 32 32 CYS CB C 32 28.054 27.729 0.325 1
1 279 . 5 1 1 A 32 32 CYS N N 32 124.126 127.198 -3.072 1
1 280 . 5 1 1 A 33 33 VAL H H 33 8.893 9.091 -0.198 1
1 281 . 5 1 1 A 33 33 VAL HA H 33 4.103 4.382 -0.279 1
1 289 . 5 1 1 A 33 33 VAL C C 33 175.525 175.971 -0.446 1
1 290 . 5 1 1 A 33 33 VAL CA C 33 61.551 61.094 0.457 1
1 291 . 5 1 1 A 33 33 VAL CB C 33 34.027 33.563 0.464 1
1 294 . 5 1 1 A 33 33 VAL N N 33 129.037 128.202 0.835 1
1 295 . 5 1 1 A 34 34 ASN HA H 34 4.389 4.461 -0.072 1
1 300 . 5 1 1 A 34 34 ASN C C 34 174.946 175.352 -0.406 1
1 301 . 5 1 1 A 34 34 ASN CA C 34 53.922 54.560 -0.638 1
1 302 . 5 1 1 A 34 34 ASN CB C 34 37.332 37.126 0.206 1
1 304 . 5 1 1 A 35 35 GLY H H 35 7.896 8.112 -0.216 1
1 305 . 5 1 1 A 35 35 GLY HA2 H 35 3.891 3.669 0.222 1
1 306 . 5 1 1 A 35 35 GLY HA3 H 35 3.180 3.713 -0.533 1
1 307 . 5 1 1 A 35 35 GLY C C 35 172.892 174.636 -1.744 1
1 308 . 5 1 1 A 35 35 GLY CA C 35 45.290 44.907 0.383 1
1 309 . 5 1 1 A 35 35 GLY N N 35 102.630 104.798 -2.168 1
1 310 . 5 1 1 A 36 36 HIS H H 36 7.694 7.155 0.539 1
1 311 . 5 1 1 A 36 36 HIS HA H 36 4.433 4.497 -0.064 1
1 315 . 5 1 1 A 36 36 HIS C C 36 172.910 173.851 -0.941 1
1 316 . 5 1 1 A 36 36 HIS CA C 36 54.433 56.002 -1.569 1
1 317 . 5 1 1 A 36 36 HIS CB C 36 32.464 30.824 1.640 1
1 319 . 5 1 1 A 36 36 HIS N N 36 119.651 118.308 1.343 1
1 320 . 5 1 1 A 37 37 PHE H H 37 8.502 8.682 -0.180 1
1 321 . 5 1 1 A 37 37 PHE HA H 37 5.314 5.592 -0.278 1
1 329 . 5 1 1 A 37 37 PHE C C 37 174.239 174.249 -0.010 1
1 330 . 5 1 1 A 37 37 PHE CA C 37 56.424 56.413 0.011 1
1 331 . 5 1 1 A 37 37 PHE CB C 37 41.572 43.152 -1.580 1
1 337 . 5 1 1 A 37 37 PHE N N 37 119.583 118.073 1.510 1
1 338 . 5 1 1 A 38 38 PHE H H 38 8.664 8.924 -0.260 1
1 339 . 5 1 1 A 38 38 PHE HA H 38 5.866 4.973 0.893 1
1 347 . 5 1 1 A 38 38 PHE C C 38 177.496 175.057 2.439 1
1 348 . 5 1 1 A 38 38 PHE CA C 38 55.296 56.344 -1.048 1
1 349 . 5 1 1 A 38 38 PHE CB C 38 44.392 43.529 0.863 1
1 355 . 5 1 1 A 38 38 PHE N N 38 116.719 119.507 -2.788 1
1 356 . 5 1 1 A 39 39 HIS H H 39 8.854 8.341 0.513 1
1 357 . 5 1 1 A 39 39 HIS HA H 39 4.675 4.715 -0.040 1
1 362 . 5 1 1 A 39 39 HIS C C 39 178.476 176.165 2.311 1
1 363 . 5 1 1 A 39 39 HIS CA C 39 59.297 56.675 2.622 1
1 364 . 5 1 1 A 39 39 HIS CB C 39 30.980 30.084 0.896 1
1 367 . 5 1 1 A 39 39 HIS N N 39 120.015 119.391 0.624 1
1 368 . 5 1 1 A 40 40 ARG H H 40 9.256 8.372 0.884 1
1 369 . 5 1 1 A 40 40 ARG HA H 40 3.965 3.917 0.048 1
1 376 . 5 1 1 A 40 40 ARG C C 40 179.459 178.035 1.424 1
1 377 . 5 1 1 A 40 40 ARG CA C 40 60.547 59.666 0.881 1
1 378 . 5 1 1 A 40 40 ARG CB C 40 29.598 30.014 -0.416 1
1 381 . 5 1 1 A 40 40 ARG N N 40 126.206 125.130 1.076 1
1 382 . 5 1 1 A 41 41 SER H H 41 8.643 8.012 0.631 1
1 383 . 5 1 1 A 41 41 SER HA H 41 4.221 4.254 -0.033 1
1 386 . 5 1 1 A 41 41 SER C C 41 175.499 175.839 -0.340 1
1 387 . 5 1 1 A 41 41 SER CA C 41 60.160 62.097 -1.937 1
1 388 . 5 1 1 A 41 41 SER CB C 41 62.847 63.770 -0.923 1
1 389 . 5 1 1 A 41 41 SER N N 41 109.970 116.448 -6.478 1
1 390 . 5 1 1 A 42 42 CYS H H 42 7.427 8.260 -0.833 1
1 391 . 5 1 1 A 42 42 CYS HA H 42 4.306 4.196 0.110 1
1 394 . 5 1 1 A 42 42 CYS C C 42 174.200 176.321 -2.121 1
1 395 . 5 1 1 A 42 42 CYS CA C 42 61.569 63.249 -1.680 1
1 396 . 5 1 1 A 42 42 CYS CB C 42 30.945 26.768 4.177 1
1 397 . 5 1 1 A 42 42 CYS N N 42 118.020 120.105 -2.085 1
1 398 . 5 1 1 A 43 43 PHE H H 43 7.257 7.910 -0.653 1
1 399 . 5 1 1 A 43 43 PHE HA H 43 4.122 4.234 -0.112 1
1 407 . 5 1 1 A 43 43 PHE C C 43 172.037 174.685 -2.648 1
1 408 . 5 1 1 A 43 43 PHE CA C 43 57.112 58.702 -1.590 1
1 409 . 5 1 1 A 43 43 PHE CB C 43 37.448 38.712 -1.264 1
1 415 . 5 1 1 A 43 43 PHE N N 43 122.965 120.904 2.061 1
1 416 . 5 1 1 A 44 44 ARG H H 44 7.110 8.240 -1.130 1
1 417 . 5 1 1 A 44 44 ARG HA H 44 4.821 4.873 -0.052 1
1 424 . 5 1 1 A 44 44 ARG C C 44 174.097 174.785 -0.688 1
1 425 . 5 1 1 A 44 44 ARG CA C 44 53.323 53.393 -0.070 1
1 426 . 5 1 1 A 44 44 ARG CB C 44 34.911 34.364 0.547 1
1 429 . 5 1 1 A 44 44 ARG N N 44 123.199 125.556 -2.357 1
1 430 . 5 1 1 A 45 45 CYS H H 45 8.580 8.461 0.119 1
1 431 . 5 1 1 A 45 45 CYS HA H 45 4.055 4.481 -0.426 1
1 434 . 5 1 1 A 45 45 CYS C C 45 177.493 174.931 2.562 1
1 435 . 5 1 1 A 45 45 CYS CA C 45 59.878 59.574 0.304 1
1 436 . 5 1 1 A 45 45 CYS CB C 45 32.052 28.912 3.140 1
1 437 . 5 1 1 A 45 45 CYS N N 45 121.527 121.129 0.398 1
1 438 . 5 1 1 A 46 46 HIS H H 46 9.187 8.624 0.563 1
1 439 . 5 1 1 A 46 46 HIS HA H 46 4.184 4.581 -0.397 1
1 443 . 5 1 1 A 46 46 HIS C C 46 175.000 176.147 -1.147 1
1 444 . 5 1 1 A 46 46 HIS CA C 46 59.137 57.088 2.049 1
1 445 . 5 1 1 A 46 46 HIS CB C 46 29.560 30.468 -0.908 1
1 447 . 5 1 1 A 46 46 HIS N N 46 130.205 125.146 5.059 1
1 448 . 5 1 1 A 47 47 THR H H 47 8.848 7.614 1.234 1
1 449 . 5 1 1 A 47 47 THR HA H 47 4.134 4.407 -0.273 1
1 454 . 5 1 1 A 47 47 THR C C 47 174.926 175.922 -0.996 1
1 455 . 5 1 1 A 47 47 THR CA C 47 65.535 63.383 2.152 1
1 456 . 5 1 1 A 47 47 THR CB C 47 70.010 70.753 -0.743 1
1 458 . 5 1 1 A 47 47 THR N N 47 116.066 111.767 4.299 1
1 459 . 5 1 1 A 48 48 CYS H H 48 8.181 8.158 0.023 1
1 460 . 5 1 1 A 48 48 CYS HA H 48 4.821 4.578 0.243 1
1 463 . 5 1 1 A 48 48 CYS C C 48 176.004 174.527 1.477 1
1 464 . 5 1 1 A 48 48 CYS CA C 48 59.050 58.202 0.848 1
1 465 . 5 1 1 A 48 48 CYS CB C 48 32.944 29.439 3.505 1
1 466 . 5 1 1 A 48 48 CYS N N 48 119.626 116.123 3.503 1
1 467 . 5 1 1 A 49 49 GLU H H 49 8.081 8.033 0.048 1
1 468 . 5 1 1 A 49 49 GLU HA H 49 3.865 4.189 -0.324 1
1 473 . 5 1 1 A 49 49 GLU C C 49 174.137 174.716 -0.579 1
1 474 . 5 1 1 A 49 49 GLU CA C 49 58.732 57.469 1.263 1
1 475 . 5 1 1 A 49 49 GLU CB C 49 27.345 27.192 0.153 1
1 477 . 5 1 1 A 49 49 GLU N N 49 116.307 116.857 -0.550 1
1 478 . 5 1 1 A 50 50 ALA H H 50 8.498 7.836 0.662 1
1 479 . 5 1 1 A 50 50 ALA HA H 50 4.388 4.583 -0.195 1
1 483 . 5 1 1 A 50 50 ALA C C 50 178.362 177.025 1.337 1
1 484 . 5 1 1 A 50 50 ALA CA C 50 53.111 50.430 2.681 1
1 485 . 5 1 1 A 50 50 ALA CB C 50 20.334 20.703 -0.369 1
1 486 . 5 1 1 A 50 50 ALA N N 50 124.211 120.733 3.478 1
1 487 . 5 1 1 A 51 51 THR H H 51 8.470 8.420 0.050 1
1 488 . 5 1 1 A 51 51 THR HA H 51 3.811 3.885 -0.074 1
1 493 . 5 1 1 A 51 51 THR C C 51 173.931 173.776 0.155 1
1 494 . 5 1 1 A 51 51 THR CA C 51 64.345 63.666 0.679 1
1 495 . 5 1 1 A 51 51 THR CB C 51 69.428 68.074 1.354 1
1 497 . 5 1 1 A 51 51 THR N N 51 117.025 116.661 0.364 1
1 498 . 5 1 1 A 52 52 LEU H H 52 7.421 8.033 -0.612 1
1 499 . 5 1 1 A 52 52 LEU HA H 52 4.439 4.463 -0.024 1
1 509 . 5 1 1 A 52 52 LEU C C 52 175.390 175.871 -0.481 1
1 510 . 5 1 1 A 52 52 LEU CA C 52 53.728 54.411 -0.683 1
1 511 . 5 1 1 A 52 52 LEU CB C 52 42.020 40.563 1.457 1
1 515 . 5 1 1 A 52 52 LEU N N 52 125.339 127.891 -2.552 1
1 516 . 5 1 1 A 53 53 TRP H H 53 8.089 8.018 0.071 1
1 517 . 5 1 1 A 53 53 TRP HA H 53 5.148 4.734 0.414 1
1 526 . 5 1 1 A 53 53 TRP C C 53 173.534 176.772 -3.238 1
1 527 . 5 1 1 A 53 53 TRP CA C 53 54.345 56.686 -2.341 1
1 528 . 5 1 1 A 53 53 TRP CB C 53 30.134 29.223 0.911 1
1 534 . 5 1 1 A 53 53 TRP N N 53 120.731 126.705 -5.974 1
1 536 . 5 1 1 A 54 54 PRO HA H 54 4.553 4.595 -0.042 1
1 543 . 5 1 1 A 54 54 PRO CA C 54 64.882 64.141 0.741 1
1 544 . 5 1 1 A 54 54 PRO CB C 54 31.969 31.477 0.492 1
1 547 . 5 1 1 A 55 55 GLY HA2 H 55 4.330 4.190 0.140 1
1 548 . 5 1 1 A 55 55 GLY HA3 H 55 3.795 4.209 -0.414 1
1 549 . 5 1 1 A 55 55 GLY C C 55 175.195 174.089 1.106 1
1 550 . 5 1 1 A 55 55 GLY CA C 55 45.586 45.819 -0.233 1
1 551 . 5 1 1 A 56 56 GLY H H 56 8.653 7.583 1.070 1
1 552 . 5 1 1 A 56 56 GLY HA2 H 56 4.567 4.263 0.304 1
1 553 . 5 1 1 A 56 56 GLY HA3 H 56 3.380 4.339 -0.959 1
1 554 . 5 1 1 A 56 56 GLY C C 56 174.377 173.535 0.842 1
1 555 . 5 1 1 A 56 56 GLY CA C 56 45.237 45.859 -0.622 1
1 556 . 5 1 1 A 56 56 GLY N N 56 107.803 106.630 1.173 1
1 557 . 5 1 1 A 57 57 TYR H H 57 7.269 7.818 -0.549 1
1 558 . 5 1 1 A 57 57 TYR HA H 57 5.600 5.254 0.346 1
1 565 . 5 1 1 A 57 57 TYR C C 57 173.258 173.664 -0.406 1
1 566 . 5 1 1 A 57 57 TYR CA C 57 55.666 56.399 -0.733 1
1 567 . 5 1 1 A 57 57 TYR CB C 57 44.451 40.912 3.539 1
1 572 . 5 1 1 A 57 57 TYR N N 57 116.315 116.531 -0.216 1
1 573 . 5 1 1 A 58 58 GLU H H 58 8.948 8.948 0.000 1
1 574 . 5 1 1 A 58 58 GLU HA H 58 4.546 4.696 -0.150 1
1 579 . 5 1 1 A 58 58 GLU C C 58 174.242 174.528 -0.286 1
1 580 . 5 1 1 A 58 58 GLU CA C 58 55.790 55.223 0.567 1
1 581 . 5 1 1 A 58 58 GLU CB C 58 35.177 34.189 0.988 1
1 583 . 5 1 1 A 58 58 GLU N N 58 117.931 119.072 -1.141 1
1 584 . 5 1 1 A 59 59 GLN H H 59 9.205 8.793 0.412 1
1 585 . 5 1 1 A 59 59 GLN HA H 59 4.760 4.996 -0.236 1
1 592 . 5 1 1 A 59 59 GLN C C 59 175.807 175.417 0.390 1
1 593 . 5 1 1 A 59 59 GLN CA C 59 53.904 54.333 -0.429 1
1 594 . 5 1 1 A 59 59 GLN CB C 59 29.530 29.648 -0.118 1
1 596 . 5 1 1 A 59 59 GLN N N 59 123.928 123.109 0.819 1
1 598 . 5 1 1 A 60 60 HIS H H 60 9.330 9.005 0.325 1
1 599 . 5 1 1 A 60 60 HIS HA H 60 4.945 4.520 0.425 1
1 604 . 5 1 1 A 60 60 HIS C C 60 175.428 175.531 -0.103 1
1 605 . 5 1 1 A 60 60 HIS CA C 60 54.556 55.189 -0.633 1
1 606 . 5 1 1 A 60 60 HIS CB C 60 32.329 31.120 1.209 1
1 609 . 5 1 1 A 60 60 HIS N N 60 131.634 127.143 4.491 1
1 610 . 5 1 1 A 61 61 PRO HA H 61 4.269 4.154 0.115 1
1 617 . 5 1 1 A 61 61 PRO CA C 61 64.043 64.882 -0.839 1
1 618 . 5 1 1 A 61 61 PRO CB C 61 31.752 31.797 -0.045 1
1 621 . 5 1 1 A 62 62 GLY H H 62 7.210 8.203 -0.993 1
1 622 . 5 1 1 A 62 62 GLY HA2 H 62 3.928 3.780 0.148 1
1 623 . 5 1 1 A 62 62 GLY HA3 H 62 3.666 3.948 -0.282 1
1 624 . 5 1 1 A 62 62 GLY CA C 62 46.610 47.249 -0.639 1
1 625 . 5 1 1 A 62 62 GLY N N 62 105.065 106.286 -1.221 1
1 626 . 5 1 1 A 63 63 ASP H H 63 8.237 8.135 0.102 1
1 627 . 5 1 1 A 63 63 ASP HA H 63 4.648 4.651 -0.003 1
1 630 . 5 1 1 A 63 63 ASP C C 63 177.303 176.580 0.723 1
1 631 . 5 1 1 A 63 63 ASP CA C 63 53.182 54.684 -1.502 1
1 632 . 5 1 1 A 63 63 ASP CB C 63 42.216 42.227 -0.011 1
1 633 . 5 1 1 A 63 63 ASP N N 63 118.685 119.729 -1.044 1
1 634 . 5 1 1 A 64 64 GLY H H 64 8.315 7.943 0.372 1
1 635 . 5 1 1 A 64 64 GLY HA2 H 64 3.900 3.808 0.092 1
1 636 . 5 1 1 A 64 64 GLY HA3 H 64 3.635 3.865 -0.230 1
1 637 . 5 1 1 A 64 64 GLY C C 64 174.457 173.519 0.938 1
1 638 . 5 1 1 A 64 64 GLY CA C 64 46.004 45.439 0.565 1
1 639 . 5 1 1 A 64 64 GLY N N 64 109.742 108.436 1.306 1
1 640 . 5 1 1 A 65 65 HIS H H 65 9.101 7.432 1.669 1
1 641 . 5 1 1 A 65 65 HIS HA H 65 4.675 4.807 -0.132 1
1 645 . 5 1 1 A 65 65 HIS C C 65 173.603 173.270 0.333 1
1 646 . 5 1 1 A 65 65 HIS CA C 65 55.208 54.550 0.658 1
1 647 . 5 1 1 A 65 65 HIS CB C 65 30.321 33.949 -3.628 1
1 649 . 5 1 1 A 65 65 HIS N N 65 121.111 116.784 4.327 1
1 650 . 5 1 1 A 66 66 PHE H H 66 8.841 8.359 0.482 1
1 651 . 5 1 1 A 66 66 PHE HA H 66 5.005 5.306 -0.301 1
1 659 . 5 1 1 A 66 66 PHE C C 66 174.272 174.277 -0.005 1
1 660 . 5 1 1 A 66 66 PHE CA C 66 57.904 56.026 1.878 1
1 661 . 5 1 1 A 66 66 PHE CB C 66 40.990 41.289 -0.299 1
1 667 . 5 1 1 A 66 66 PHE N N 66 118.465 117.472 0.993 1
1 668 . 5 1 1 A 67 67 TYR H H 67 8.714 9.031 -0.317 1
1 669 . 5 1 1 A 67 67 TYR HA H 67 5.676 5.215 0.461 1
1 676 . 5 1 1 A 67 67 TYR C C 67 176.345 175.816 0.529 1
1 677 . 5 1 1 A 67 67 TYR CA C 67 56.829 56.415 0.414 1
1 678 . 5 1 1 A 67 67 TYR CB C 67 43.668 43.286 0.382 1
1 683 . 5 1 1 A 67 67 TYR N N 67 117.828 120.978 -3.150 1
1 684 . 5 1 1 A 68 68 CYS H H 68 9.524 8.685 0.839 1
1 685 . 5 1 1 A 68 68 CYS HA H 68 5.152 4.935 0.217 1
1 688 . 5 1 1 A 68 68 CYS C C 68 176.563 176.414 0.149 1
1 689 . 5 1 1 A 68 68 CYS CA C 68 58.468 58.087 0.381 1
1 690 . 5 1 1 A 68 68 CYS CB C 68 29.373 29.459 -0.086 1
1 691 . 5 1 1 A 68 68 CYS N N 68 120.631 120.247 0.384 1
1 692 . 5 1 1 A 69 69 LEU H H 69 7.630 8.732 -1.102 1
1 693 . 5 1 1 A 69 69 LEU HA H 69 3.952 4.412 -0.460 1
1 703 . 5 1 1 A 69 69 LEU C C 69 179.373 176.746 2.627 1
1 704 . 5 1 1 A 69 69 LEU CA C 69 58.080 55.294 2.786 1
1 705 . 5 1 1 A 69 69 LEU CB C 69 40.125 41.282 -1.157 1
1 709 . 5 1 1 A 69 69 LEU N N 69 117.279 121.679 -4.400 1
1 710 . 5 1 1 A 70 70 GLN H H 70 8.159 8.257 -0.098 1
1 711 . 5 1 1 A 70 70 GLN HA H 70 4.106 4.636 -0.530 1
1 718 . 5 1 1 A 70 70 GLN C C 70 177.094 176.879 0.215 1
1 719 . 5 1 1 A 70 70 GLN CA C 70 57.781 55.964 1.817 1
1 720 . 5 1 1 A 70 70 GLN CB C 70 28.537 30.730 -2.193 1
1 722 . 5 1 1 A 70 70 GLN N N 70 115.749 119.253 -3.504 1
1 724 . 5 1 1 A 71 71 HIS H H 71 7.651 7.656 -0.005 1
1 725 . 5 1 1 A 71 71 HIS HA H 71 4.917 4.747 0.170 1
1 730 . 5 1 1 A 71 71 HIS C C 71 173.431 175.061 -1.630 1
1 731 . 5 1 1 A 71 71 HIS CA C 71 56.142 56.243 -0.101 1
1 732 . 5 1 1 A 71 71 HIS CB C 71 33.010 31.722 1.288 1
1 735 . 5 1 1 A 71 71 HIS N N 71 116.846 115.959 0.887 1
1 736 . 5 1 1 A 72 72 LEU H H 72 7.154 7.534 -0.380 1
1 737 . 5 1 1 A 72 72 LEU HA H 72 3.772 4.193 -0.421 1
1 747 . 5 1 1 A 72 72 LEU C C 72 174.748 175.055 -0.307 1
1 748 . 5 1 1 A 72 72 LEU CA C 72 53.499 53.301 0.198 1
1 749 . 5 1 1 A 72 72 LEU CB C 72 42.729 42.977 -0.248 1
1 753 . 5 1 1 A 72 72 LEU N N 72 124.029 121.898 2.131 1
1 754 . 5 1 1 A 73 73 PRO HA H 73 4.145 4.478 -0.333 1
1 761 . 5 1 1 A 73 73 PRO C C 73 175.785 175.347 0.438 1
1 762 . 5 1 1 A 73 73 PRO CA C 73 63.050 62.077 0.973 1
1 763 . 5 1 1 A 73 73 PRO CB C 73 32.055 32.711 -0.656 1
1 766 . 5 1 1 A 74 74 GLN H H 74 8.359 8.470 -0.111 1
1 767 . 5 1 1 A 74 74 GLN HA H 74 4.386 5.421 -1.035 1
1 774 . 5 1 1 A 74 74 GLN C C 74 176.731 174.878 1.853 1
1 775 . 5 1 1 A 74 74 GLN CA C 74 55.526 54.811 0.715 1
1 776 . 5 1 1 A 74 74 GLN CB C 74 29.817 31.514 -1.697 1
1 778 . 5 1 1 A 74 74 GLN N N 74 120.467 118.412 2.055 1
1 780 . 5 1 1 A 75 75 THR H H 75 8.368 9.022 -0.654 1
1 781 . 5 1 1 A 75 75 THR HA H 75 4.390 4.411 -0.021 1
1 786 . 5 1 1 A 75 75 THR C C 75 174.257 173.440 0.817 1
1 787 . 5 1 1 A 75 75 THR CA C 75 61.993 63.053 -1.060 1
1 788 . 5 1 1 A 75 75 THR CB C 75 69.991 69.131 0.860 1
1 790 . 5 1 1 A 75 75 THR N N 75 116.318 121.742 -5.424 1
1 791 . 5 1 1 A 76 76 ASP H H 76 8.528 8.742 -0.214 1
1 792 . 5 1 1 A 76 76 ASP HA H 76 4.700 4.747 -0.047 1
1 795 . 5 1 1 A 76 76 ASP C C 76 176.200 175.342 0.858 1
1 796 . 5 1 1 A 76 76 ASP CA C 76 54.363 54.322 0.041 1
1 797 . 5 1 1 A 76 76 ASP CB C 76 41.362 43.294 -1.932 1
1 798 . 5 1 1 A 76 76 ASP N N 76 123.204 128.035 -4.831 1
1 799 . 5 1 1 A 77 77 SER H H 77 8.346 9.204 -0.858 1
1 800 . 5 1 1 A 77 77 SER HA H 77 4.497 4.092 0.405 1
1 803 . 5 1 1 A 77 77 SER C C 77 174.724 173.568 1.156 1
1 804 . 5 1 1 A 77 77 SER CA C 77 58.451 59.248 -0.797 1
1 805 . 5 1 1 A 77 77 SER CB C 77 64.101 62.083 2.018 1
1 806 . 5 1 1 A 77 77 SER N N 77 116.515 121.385 -4.870 1
1 807 . 5 1 1 A 78 78 GLY H H 78 8.330 7.931 0.399 1
1 808 . 5 1 1 A 78 78 GLY HA2 H 78 4.135 4.315 -0.180 1
1 809 . 5 1 1 A 78 78 GLY HA3 H 78 4.135 4.318 -0.183 1
1 810 . 5 1 1 A 78 78 GLY C C 78 171.883 172.110 -0.227 1
1 811 . 5 1 1 A 78 78 GLY CA C 78 44.745 45.284 -0.539 1
1 812 . 5 1 1 A 78 78 GLY N N 78 110.837 106.486 4.351 1
1 813 . 5 1 1 A 79 79 PRO HA H 79 4.501 4.553 -0.052 1
1 820 . 5 1 1 A 79 79 PRO C C 79 177.463 177.032 0.431 1
1 821 . 5 1 1 A 79 79 PRO CA C 79 63.332 62.809 0.523 1
1 822 . 5 1 1 A 79 79 PRO CB C 79 32.229 31.704 0.525 1
1 825 . 5 1 1 A 80 80 SER H H 80 8.531 8.462 0.069 1
1 826 . 5 1 1 A 80 80 SER HA H 80 4.521 4.377 0.144 1
1 829 . 5 1 1 A 80 80 SER C C 80 174.760 175.679 -0.919 1
1 830 . 5 1 1 A 80 80 SER CA C 80 58.398 59.830 -1.432 1
1 831 . 5 1 1 A 80 80 SER CB C 80 63.978 63.458 0.520 1
1 832 . 5 1 1 A 80 80 SER N N 80 116.479 119.459 -2.980 1
1 833 . 5 1 1 A 81 81 SER H H 81 8.358 8.855 -0.497 1
1 834 . 5 1 1 A 81 81 SER HA H 81 4.530 4.183 0.347 1
1 837 . 5 1 1 A 81 81 SER C C 81 173.982 174.514 -0.532 1
1 838 . 5 1 1 A 81 81 SER CA C 81 58.416 61.876 -3.460 1
1 839 . 5 1 1 A 81 81 SER CB C 81 64.082 63.205 0.877 1
1 840 . 5 1 1 A 81 81 SER N N 81 117.964 119.896 -1.932 1
1 1 . 6 1 1 A 9 9 HIS HA H 9 4.627 5.111 -0.484 1
1 5 . 6 1 1 A 9 9 HIS C C 9 175.239 172.886 2.353 1
1 6 . 6 1 1 A 9 9 HIS CA C 9 56.347 54.272 2.075 1
1 7 . 6 1 1 A 9 9 HIS CB C 9 30.681 30.566 0.115 1
1 9 . 6 1 1 A 10 10 GLN H H 10 8.313 9.063 -0.750 1
1 10 . 6 1 1 A 10 10 GLN HA H 10 4.323 4.751 -0.428 1
1 17 . 6 1 1 A 10 10 GLN C C 10 175.703 174.509 1.194 1
1 18 . 6 1 1 A 10 10 GLN CA C 10 55.875 55.230 0.645 1
1 19 . 6 1 1 A 10 10 GLN CB C 10 29.726 29.788 -0.062 1
1 21 . 6 1 1 A 10 10 GLN N N 10 122.031 128.061 -6.030 1
1 23 . 6 1 1 A 11 11 GLU H H 11 8.546 8.783 -0.237 1
1 24 . 6 1 1 A 11 11 GLU HA H 11 4.275 4.814 -0.539 1
1 29 . 6 1 1 A 11 11 GLU C C 11 176.303 175.069 1.234 1
1 30 . 6 1 1 A 11 11 GLU CA C 11 56.472 55.256 1.216 1
1 31 . 6 1 1 A 11 11 GLU CB C 11 30.303 33.069 -2.766 1
1 33 . 6 1 1 A 11 11 GLU N N 11 122.648 123.566 -0.918 1
1 34 . 6 1 1 A 12 12 ALA H H 12 8.403 8.498 -0.095 1
1 35 . 6 1 1 A 12 12 ALA HA H 12 4.288 4.186 0.102 1
1 39 . 6 1 1 A 12 12 ALA C C 12 178.231 177.802 0.429 1
1 40 . 6 1 1 A 12 12 ALA CA C 12 52.759 52.552 0.207 1
1 41 . 6 1 1 A 12 12 ALA CB C 12 19.237 19.108 0.129 1
1 42 . 6 1 1 A 12 12 ALA N N 12 125.516 125.812 -0.296 1
1 43 . 6 1 1 A 13 13 GLY H H 13 8.490 8.634 -0.144 1
1 44 . 6 1 1 A 13 13 GLY HA2 H 13 3.994 4.251 -0.257 1
1 45 . 6 1 1 A 13 13 GLY HA3 H 13 3.890 4.254 -0.364 1
1 46 . 6 1 1 A 13 13 GLY C C 13 174.176 172.226 1.950 1
1 47 . 6 1 1 A 13 13 GLY CA C 13 45.094 44.685 0.409 1
1 48 . 6 1 1 A 13 13 GLY N N 13 108.839 108.481 0.358 1
1 49 . 6 1 1 A 14 14 ALA H H 14 8.172 8.799 -0.627 1
1 50 . 6 1 1 A 14 14 ALA HA H 14 4.246 4.647 -0.401 1
1 54 . 6 1 1 A 14 14 ALA C C 14 178.304 178.308 -0.004 1
1 55 . 6 1 1 A 14 14 ALA CA C 14 52.988 51.212 1.776 1
1 56 . 6 1 1 A 14 14 ALA CB C 14 19.228 19.798 -0.570 1
1 57 . 6 1 1 A 14 14 ALA N N 14 123.459 126.371 -2.912 1
1 58 . 6 1 1 A 15 15 GLY H H 15 8.329 8.736 -0.407 1
1 59 . 6 1 1 A 15 15 GLY HA2 H 15 3.578 3.867 -0.289 1
1 60 . 6 1 1 A 15 15 GLY HA3 H 15 3.578 3.869 -0.291 1
1 61 . 6 1 1 A 15 15 GLY C C 15 173.577 173.990 -0.413 1
1 62 . 6 1 1 A 15 15 GLY CA C 15 45.128 46.512 -1.384 1
1 63 . 6 1 1 A 15 15 GLY N N 15 107.276 112.191 -4.915 1
1 64 . 6 1 1 A 16 16 ASP H H 16 7.898 7.649 0.249 1
1 65 . 6 1 1 A 16 16 ASP HA H 16 4.547 4.437 0.110 1
1 68 . 6 1 1 A 16 16 ASP C C 16 174.898 174.143 0.755 1
1 69 . 6 1 1 A 16 16 ASP CA C 16 54.344 52.913 1.431 1
1 70 . 6 1 1 A 16 16 ASP CB C 16 41.534 40.863 0.671 1
1 71 . 6 1 1 A 16 16 ASP N N 16 118.642 119.512 -0.870 1
1 72 . 6 1 1 A 17 17 LEU H H 17 7.822 7.469 0.353 1
1 73 . 6 1 1 A 17 17 LEU HA H 17 4.446 4.927 -0.481 1
1 83 . 6 1 1 A 17 17 LEU C C 17 175.902 175.919 -0.017 1
1 84 . 6 1 1 A 17 17 LEU CA C 17 53.128 52.965 0.163 1
1 85 . 6 1 1 A 17 17 LEU CB C 17 44.656 45.218 -0.562 1
1 89 . 6 1 1 A 17 17 LEU N N 17 119.654 120.696 -1.042 1
1 90 . 6 1 1 A 18 18 CYS H H 18 8.080 8.467 -0.387 1
1 91 . 6 1 1 A 18 18 CYS HA H 18 4.248 4.163 0.085 1
1 94 . 6 1 1 A 18 18 CYS C C 18 177.466 175.337 2.129 1
1 95 . 6 1 1 A 18 18 CYS CA C 18 58.398 59.468 -1.070 1
1 96 . 6 1 1 A 18 18 CYS CB C 18 31.990 27.912 4.078 1
1 97 . 6 1 1 A 18 18 CYS N N 18 123.013 124.429 -1.416 1
1 98 . 6 1 1 A 19 19 ALA H H 19 9.211 8.688 0.523 1
1 99 . 6 1 1 A 19 19 ALA HA H 19 4.172 4.153 0.019 1
1 103 . 6 1 1 A 19 19 ALA C C 19 177.724 179.531 -1.807 1
1 104 . 6 1 1 A 19 19 ALA CA C 19 54.327 53.478 0.849 1
1 105 . 6 1 1 A 19 19 ALA CB C 19 18.662 19.235 -0.573 1
1 106 . 6 1 1 A 19 19 ALA N N 19 132.258 129.165 3.093 1
1 107 . 6 1 1 A 20 20 LEU H H 20 8.911 7.855 1.056 1
1 108 . 6 1 1 A 20 20 LEU HA H 20 4.736 4.031 0.705 1
1 118 . 6 1 1 A 20 20 LEU C C 20 177.779 178.456 -0.677 1
1 119 . 6 1 1 A 20 20 LEU CA C 20 56.935 58.273 -1.338 1
1 120 . 6 1 1 A 20 20 LEU CB C 20 43.750 42.245 1.505 1
1 124 . 6 1 1 A 20 20 LEU N N 20 119.770 119.671 0.099 1
1 125 . 6 1 1 A 21 21 CYS H H 21 8.159 7.887 0.272 1
1 126 . 6 1 1 A 21 21 CYS HA H 21 4.962 4.634 0.328 1
1 129 . 6 1 1 A 21 21 CYS C C 21 176.947 175.354 1.593 1
1 130 . 6 1 1 A 21 21 CYS CA C 21 59.137 59.695 -0.558 1
1 131 . 6 1 1 A 21 21 CYS CB C 21 31.728 29.502 2.226 1
1 132 . 6 1 1 A 21 21 CYS N N 21 116.713 113.045 3.668 1
1 133 . 6 1 1 A 22 22 GLY H H 22 8.088 8.150 -0.062 1
1 134 . 6 1 1 A 22 22 GLY HA2 H 22 4.160 4.053 0.107 1
1 135 . 6 1 1 A 22 22 GLY HA3 H 22 3.865 4.069 -0.204 1
1 136 . 6 1 1 A 22 22 GLY C C 22 173.190 174.217 -1.027 1
1 137 . 6 1 1 A 22 22 GLY CA C 22 46.556 45.378 1.178 1
1 138 . 6 1 1 A 22 22 GLY N N 22 112.000 110.028 1.972 1
1 139 . 6 1 1 A 23 23 GLU H H 23 8.378 7.961 0.417 1
1 140 . 6 1 1 A 23 23 GLU HA H 23 4.712 4.793 -0.081 1
1 145 . 6 1 1 A 23 23 GLU C C 23 176.434 175.776 0.658 1
1 146 . 6 1 1 A 23 23 GLU CA C 23 55.014 54.907 0.107 1
1 147 . 6 1 1 A 23 23 GLU CB C 23 31.557 31.608 -0.051 1
1 149 . 6 1 1 A 23 23 GLU N N 23 118.877 119.297 -0.420 1
1 150 . 6 1 1 A 24 24 HIS H H 24 8.666 8.887 -0.221 1
1 151 . 6 1 1 A 24 24 HIS HA H 24 4.333 4.636 -0.303 1
1 156 . 6 1 1 A 24 24 HIS C C 24 175.281 174.110 1.171 1
1 157 . 6 1 1 A 24 24 HIS CA C 24 58.186 57.694 0.492 1
1 158 . 6 1 1 A 24 24 HIS CB C 24 30.099 30.707 -0.608 1
1 161 . 6 1 1 A 24 24 HIS N N 24 118.732 121.869 -3.137 1
1 162 . 6 1 1 A 25 25 LEU H H 25 7.928 7.718 0.210 1
1 163 . 6 1 1 A 25 25 LEU HA H 25 4.174 5.144 -0.970 1
1 173 . 6 1 1 A 25 25 LEU C C 25 175.186 175.580 -0.394 1
1 174 . 6 1 1 A 25 25 LEU CA C 25 53.992 53.293 0.699 1
1 175 . 6 1 1 A 25 25 LEU CB C 25 43.742 45.170 -1.428 1
1 179 . 6 1 1 A 25 25 LEU N N 25 125.590 126.624 -1.034 1
1 180 . 6 1 1 A 26 26 TYR H H 26 8.768 8.680 0.088 1
1 181 . 6 1 1 A 26 26 TYR HA H 26 4.651 5.042 -0.391 1
1 188 . 6 1 1 A 26 26 TYR C C 26 177.267 176.181 1.086 1
1 189 . 6 1 1 A 26 26 TYR CA C 26 57.270 56.338 0.932 1
1 190 . 6 1 1 A 26 26 TYR CB C 26 38.210 41.308 -3.098 1
1 195 . 6 1 1 A 26 26 TYR N N 26 123.119 122.585 0.534 1
1 196 . 6 1 1 A 27 27 VAL H H 27 8.086 7.513 0.573 1
1 197 . 6 1 1 A 27 27 VAL HA H 27 3.809 3.458 0.351 1
1 205 . 6 1 1 A 27 27 VAL C C 27 176.958 177.460 -0.502 1
1 206 . 6 1 1 A 27 27 VAL CA C 27 64.551 66.521 -1.970 1
1 207 . 6 1 1 A 27 27 VAL CB C 27 31.788 31.505 0.283 1
1 210 . 6 1 1 A 27 27 VAL N N 27 121.055 125.097 -4.042 1
1 211 . 6 1 1 A 28 28 LEU H H 28 7.665 8.003 -0.338 1
1 212 . 6 1 1 A 28 28 LEU HA H 28 4.285 4.138 0.147 1
1 222 . 6 1 1 A 28 28 LEU C C 28 177.710 177.697 0.013 1
1 223 . 6 1 1 A 28 28 LEU CA C 28 56.297 57.012 -0.715 1
1 224 . 6 1 1 A 28 28 LEU CB C 28 41.998 42.160 -0.162 1
1 228 . 6 1 1 A 28 28 LEU N N 28 119.062 117.744 1.318 1
1 229 . 6 1 1 A 29 29 GLU H H 29 7.961 7.856 0.105 1
1 230 . 6 1 1 A 29 29 GLU HA H 29 4.479 4.501 -0.022 1
1 235 . 6 1 1 A 29 29 GLU C C 29 175.755 175.055 0.700 1
1 236 . 6 1 1 A 29 29 GLU CA C 29 56.248 56.444 -0.196 1
1 237 . 6 1 1 A 29 29 GLU CB C 29 30.550 27.943 2.607 1
1 239 . 6 1 1 A 29 29 GLU N N 29 117.067 115.901 1.166 1
1 240 . 6 1 1 A 30 30 ARG H H 30 7.724 7.679 0.045 1
1 241 . 6 1 1 A 30 30 ARG HA H 30 4.688 4.988 -0.300 1
1 248 . 6 1 1 A 30 30 ARG C C 30 174.546 173.980 0.566 1
1 249 . 6 1 1 A 30 30 ARG CA C 30 55.948 55.064 0.884 1
1 250 . 6 1 1 A 30 30 ARG CB C 30 33.034 33.810 -0.776 1
1 253 . 6 1 1 A 30 30 ARG N N 30 120.305 117.454 2.851 1
1 254 . 6 1 1 A 31 31 LEU H H 31 8.970 9.330 -0.360 1
1 255 . 6 1 1 A 31 31 LEU HA H 31 4.635 4.758 -0.123 1
1 265 . 6 1 1 A 31 31 LEU C C 31 174.536 175.429 -0.893 1
1 266 . 6 1 1 A 31 31 LEU CA C 31 54.168 53.620 0.548 1
1 267 . 6 1 1 A 31 31 LEU CB C 31 45.021 42.008 3.013 1
1 271 . 6 1 1 A 31 31 LEU N N 31 124.553 124.735 -0.182 1
1 272 . 6 1 1 A 32 32 CYS H H 32 8.558 8.528 0.030 1
1 273 . 6 1 1 A 32 32 CYS HA H 32 4.954 4.045 0.909 1
1 276 . 6 1 1 A 32 32 CYS C C 32 174.418 174.215 0.203 1
1 277 . 6 1 1 A 32 32 CYS CA C 32 56.874 58.534 -1.660 1
1 278 . 6 1 1 A 32 32 CYS CB C 32 28.054 26.962 1.092 1
1 279 . 6 1 1 A 32 32 CYS N N 32 124.126 124.155 -0.029 1
1 280 . 6 1 1 A 33 33 VAL H H 33 8.893 8.962 -0.069 1
1 281 . 6 1 1 A 33 33 VAL HA H 33 4.103 4.454 -0.351 1
1 289 . 6 1 1 A 33 33 VAL C C 33 175.525 175.941 -0.416 1
1 290 . 6 1 1 A 33 33 VAL CA C 33 61.551 61.080 0.471 1
1 291 . 6 1 1 A 33 33 VAL CB C 33 34.027 34.142 -0.115 1
1 294 . 6 1 1 A 33 33 VAL N N 33 129.037 125.193 3.844 1
1 295 . 6 1 1 A 34 34 ASN HA H 34 4.389 4.470 -0.081 1
1 300 . 6 1 1 A 34 34 ASN C C 34 174.946 175.359 -0.413 1
1 301 . 6 1 1 A 34 34 ASN CA C 34 53.922 54.648 -0.726 1
1 302 . 6 1 1 A 34 34 ASN CB C 34 37.332 37.272 0.060 1
1 304 . 6 1 1 A 35 35 GLY H H 35 7.896 8.152 -0.256 1
1 305 . 6 1 1 A 35 35 GLY HA2 H 35 3.891 3.640 0.251 1
1 306 . 6 1 1 A 35 35 GLY HA3 H 35 3.180 3.654 -0.474 1
1 307 . 6 1 1 A 35 35 GLY C C 35 172.892 173.864 -0.972 1
1 308 . 6 1 1 A 35 35 GLY CA C 35 45.290 45.132 0.158 1
1 309 . 6 1 1 A 35 35 GLY N N 35 102.630 104.771 -2.141 1
1 310 . 6 1 1 A 36 36 HIS H H 36 7.694 7.947 -0.253 1
1 311 . 6 1 1 A 36 36 HIS HA H 36 4.433 4.436 -0.003 1
1 315 . 6 1 1 A 36 36 HIS C C 36 172.910 174.453 -1.543 1
1 316 . 6 1 1 A 36 36 HIS CA C 36 54.433 56.060 -1.627 1
1 317 . 6 1 1 A 36 36 HIS CB C 36 32.464 30.769 1.695 1
1 319 . 6 1 1 A 36 36 HIS N N 36 119.651 118.565 1.086 1
1 320 . 6 1 1 A 37 37 PHE H H 37 8.502 9.104 -0.602 1
1 321 . 6 1 1 A 37 37 PHE HA H 37 5.314 5.345 -0.031 1
1 329 . 6 1 1 A 37 37 PHE C C 37 174.239 174.174 0.065 1
1 330 . 6 1 1 A 37 37 PHE CA C 37 56.424 55.940 0.484 1
1 331 . 6 1 1 A 37 37 PHE CB C 37 41.572 41.593 -0.021 1
1 337 . 6 1 1 A 37 37 PHE N N 37 119.583 121.232 -1.649 1
1 338 . 6 1 1 A 38 38 PHE H H 38 8.664 8.952 -0.288 1
1 339 . 6 1 1 A 38 38 PHE HA H 38 5.866 4.834 1.032 1
1 347 . 6 1 1 A 38 38 PHE C C 38 177.496 175.003 2.493 1
1 348 . 6 1 1 A 38 38 PHE CA C 38 55.296 56.432 -1.136 1
1 349 . 6 1 1 A 38 38 PHE CB C 38 44.392 42.982 1.410 1
1 355 . 6 1 1 A 38 38 PHE N N 38 116.719 119.411 -2.692 1
1 356 . 6 1 1 A 39 39 HIS H H 39 8.854 8.303 0.551 1
1 357 . 6 1 1 A 39 39 HIS HA H 39 4.675 4.704 -0.029 1
1 362 . 6 1 1 A 39 39 HIS C C 39 178.476 176.803 1.673 1
1 363 . 6 1 1 A 39 39 HIS CA C 39 59.297 56.694 2.603 1
1 364 . 6 1 1 A 39 39 HIS CB C 39 30.980 30.702 0.278 1
1 367 . 6 1 1 A 39 39 HIS N N 39 120.015 119.814 0.201 1
1 368 . 6 1 1 A 40 40 ARG H H 40 9.256 9.292 -0.036 1
1 369 . 6 1 1 A 40 40 ARG HA H 40 3.965 4.088 -0.123 1
1 376 . 6 1 1 A 40 40 ARG C C 40 179.459 177.408 2.051 1
1 377 . 6 1 1 A 40 40 ARG CA C 40 60.547 59.127 1.420 1
1 378 . 6 1 1 A 40 40 ARG CB C 40 29.598 29.809 -0.211 1
1 381 . 6 1 1 A 40 40 ARG N N 40 126.206 123.819 2.387 1
1 382 . 6 1 1 A 41 41 SER H H 41 8.643 7.981 0.662 1
1 383 . 6 1 1 A 41 41 SER HA H 41 4.221 4.452 -0.231 1
1 386 . 6 1 1 A 41 41 SER C C 41 175.499 177.018 -1.519 1
1 387 . 6 1 1 A 41 41 SER CA C 41 60.160 60.638 -0.478 1
1 388 . 6 1 1 A 41 41 SER CB C 41 62.847 63.733 -0.886 1
1 389 . 6 1 1 A 41 41 SER N N 41 109.970 113.900 -3.930 1
1 390 . 6 1 1 A 42 42 CYS H H 42 7.427 8.500 -1.073 1
1 391 . 6 1 1 A 42 42 CYS HA H 42 4.306 4.066 0.240 1
1 394 . 6 1 1 A 42 42 CYS C C 42 174.200 176.306 -2.106 1
1 395 . 6 1 1 A 42 42 CYS CA C 42 61.569 63.391 -1.822 1
1 396 . 6 1 1 A 42 42 CYS CB C 42 30.945 27.926 3.019 1
1 397 . 6 1 1 A 42 42 CYS N N 42 118.020 119.308 -1.288 1
1 398 . 6 1 1 A 43 43 PHE H H 43 7.257 7.686 -0.429 1
1 399 . 6 1 1 A 43 43 PHE HA H 43 4.122 4.222 -0.100 1
1 407 . 6 1 1 A 43 43 PHE C C 43 172.037 174.583 -2.546 1
1 408 . 6 1 1 A 43 43 PHE CA C 43 57.112 58.369 -1.257 1
1 409 . 6 1 1 A 43 43 PHE CB C 43 37.448 38.783 -1.335 1
1 415 . 6 1 1 A 43 43 PHE N N 43 122.965 120.921 2.044 1
1 416 . 6 1 1 A 44 44 ARG H H 44 7.110 8.304 -1.194 1
1 417 . 6 1 1 A 44 44 ARG HA H 44 4.821 4.705 0.116 1
1 424 . 6 1 1 A 44 44 ARG C C 44 174.097 174.885 -0.788 1
1 425 . 6 1 1 A 44 44 ARG CA C 44 53.323 53.427 -0.104 1
1 426 . 6 1 1 A 44 44 ARG CB C 44 34.911 34.192 0.719 1
1 429 . 6 1 1 A 44 44 ARG N N 44 123.199 125.604 -2.405 1
1 430 . 6 1 1 A 45 45 CYS H H 45 8.580 8.364 0.216 1
1 431 . 6 1 1 A 45 45 CYS HA H 45 4.055 4.405 -0.350 1
1 434 . 6 1 1 A 45 45 CYS C C 45 177.493 175.342 2.151 1
1 435 . 6 1 1 A 45 45 CYS CA C 45 59.878 59.578 0.300 1
1 436 . 6 1 1 A 45 45 CYS CB C 45 32.052 28.816 3.236 1
1 437 . 6 1 1 A 45 45 CYS N N 45 121.527 121.075 0.452 1
1 438 . 6 1 1 A 46 46 HIS H H 46 9.187 8.538 0.649 1
1 439 . 6 1 1 A 46 46 HIS HA H 46 4.184 4.521 -0.337 1
1 443 . 6 1 1 A 46 46 HIS C C 46 175.000 176.390 -1.390 1
1 444 . 6 1 1 A 46 46 HIS CA C 46 59.137 57.125 2.012 1
1 445 . 6 1 1 A 46 46 HIS CB C 46 29.560 30.471 -0.911 1
1 447 . 6 1 1 A 46 46 HIS N N 46 130.205 125.093 5.112 1
1 448 . 6 1 1 A 47 47 THR H H 47 8.848 7.513 1.335 1
1 449 . 6 1 1 A 47 47 THR HA H 47 4.134 4.432 -0.298 1
1 454 . 6 1 1 A 47 47 THR C C 47 174.926 175.873 -0.947 1
1 455 . 6 1 1 A 47 47 THR CA C 47 65.535 63.330 2.205 1
1 456 . 6 1 1 A 47 47 THR CB C 47 70.010 70.548 -0.538 1
1 458 . 6 1 1 A 47 47 THR N N 47 116.066 111.667 4.399 1
1 459 . 6 1 1 A 48 48 CYS H H 48 8.181 8.144 0.037 1
1 460 . 6 1 1 A 48 48 CYS HA H 48 4.821 4.582 0.239 1
1 463 . 6 1 1 A 48 48 CYS C C 48 176.004 174.676 1.328 1
1 464 . 6 1 1 A 48 48 CYS CA C 48 59.050 58.312 0.738 1
1 465 . 6 1 1 A 48 48 CYS CB C 48 32.944 29.572 3.372 1
1 466 . 6 1 1 A 48 48 CYS N N 48 119.626 116.119 3.507 1
1 467 . 6 1 1 A 49 49 GLU H H 49 8.081 8.015 0.066 1
1 468 . 6 1 1 A 49 49 GLU HA H 49 3.865 4.174 -0.309 1
1 473 . 6 1 1 A 49 49 GLU C C 49 174.137 174.636 -0.499 1
1 474 . 6 1 1 A 49 49 GLU CA C 49 58.732 57.517 1.215 1
1 475 . 6 1 1 A 49 49 GLU CB C 49 27.345 27.200 0.145 1
1 477 . 6 1 1 A 49 49 GLU N N 49 116.307 116.886 -0.579 1
1 478 . 6 1 1 A 50 50 ALA H H 50 8.498 7.765 0.733 1
1 479 . 6 1 1 A 50 50 ALA HA H 50 4.388 4.596 -0.208 1
1 483 . 6 1 1 A 50 50 ALA C C 50 178.362 176.880 1.482 1
1 484 . 6 1 1 A 50 50 ALA CA C 50 53.111 50.417 2.694 1
1 485 . 6 1 1 A 50 50 ALA CB C 50 20.334 20.712 -0.378 1
1 486 . 6 1 1 A 50 50 ALA N N 50 124.211 120.636 3.575 1
1 487 . 6 1 1 A 51 51 THR H H 51 8.470 8.371 0.099 1
1 488 . 6 1 1 A 51 51 THR HA H 51 3.811 3.851 -0.040 1
1 493 . 6 1 1 A 51 51 THR C C 51 173.931 173.774 0.157 1
1 494 . 6 1 1 A 51 51 THR CA C 51 64.345 63.635 0.710 1
1 495 . 6 1 1 A 51 51 THR CB C 51 69.428 68.222 1.206 1
1 497 . 6 1 1 A 51 51 THR N N 51 117.025 116.693 0.332 1
1 498 . 6 1 1 A 52 52 LEU H H 52 7.421 8.032 -0.611 1
1 499 . 6 1 1 A 52 52 LEU HA H 52 4.439 4.416 0.023 1
1 509 . 6 1 1 A 52 52 LEU C C 52 175.390 175.771 -0.381 1
1 510 . 6 1 1 A 52 52 LEU CA C 52 53.728 54.330 -0.602 1
1 511 . 6 1 1 A 52 52 LEU CB C 52 42.020 40.482 1.538 1
1 515 . 6 1 1 A 52 52 LEU N N 52 125.339 127.825 -2.486 1
1 516 . 6 1 1 A 53 53 TRP H H 53 8.089 7.977 0.112 1
1 517 . 6 1 1 A 53 53 TRP HA H 53 5.148 4.707 0.441 1
1 526 . 6 1 1 A 53 53 TRP C C 53 173.534 176.780 -3.246 1
1 527 . 6 1 1 A 53 53 TRP CA C 53 54.345 56.666 -2.321 1
1 528 . 6 1 1 A 53 53 TRP CB C 53 30.134 29.236 0.898 1
1 534 . 6 1 1 A 53 53 TRP N N 53 120.731 126.615 -5.884 1
1 536 . 6 1 1 A 54 54 PRO HA H 54 4.553 4.622 -0.069 1
1 543 . 6 1 1 A 54 54 PRO CA C 54 64.882 64.142 0.740 1
1 544 . 6 1 1 A 54 54 PRO CB C 54 31.969 31.540 0.429 1
1 547 . 6 1 1 A 55 55 GLY HA2 H 55 4.330 4.178 0.152 1
1 548 . 6 1 1 A 55 55 GLY HA3 H 55 3.795 4.213 -0.418 1
1 549 . 6 1 1 A 55 55 GLY C C 55 175.195 173.936 1.259 1
1 550 . 6 1 1 A 55 55 GLY CA C 55 45.586 45.818 -0.232 1
1 551 . 6 1 1 A 56 56 GLY H H 56 8.653 7.471 1.182 1
1 552 . 6 1 1 A 56 56 GLY HA2 H 56 4.567 4.266 0.301 1
1 553 . 6 1 1 A 56 56 GLY HA3 H 56 3.380 4.327 -0.947 1
1 554 . 6 1 1 A 56 56 GLY C C 56 174.377 172.807 1.570 1
1 555 . 6 1 1 A 56 56 GLY CA C 56 45.237 45.914 -0.677 1
1 556 . 6 1 1 A 56 56 GLY N N 56 107.803 107.155 0.648 1
1 557 . 6 1 1 A 57 57 TYR H H 57 7.269 8.013 -0.744 1
1 558 . 6 1 1 A 57 57 TYR HA H 57 5.600 5.273 0.327 1
1 565 . 6 1 1 A 57 57 TYR C C 57 173.258 173.504 -0.246 1
1 566 . 6 1 1 A 57 57 TYR CA C 57 55.666 56.307 -0.641 1
1 567 . 6 1 1 A 57 57 TYR CB C 57 44.451 40.787 3.664 1
1 572 . 6 1 1 A 57 57 TYR N N 57 116.315 116.187 0.128 1
1 573 . 6 1 1 A 58 58 GLU H H 58 8.948 9.060 -0.112 1
1 574 . 6 1 1 A 58 58 GLU HA H 58 4.546 4.742 -0.196 1
1 579 . 6 1 1 A 58 58 GLU C C 58 174.242 174.511 -0.269 1
1 580 . 6 1 1 A 58 58 GLU CA C 58 55.790 55.608 0.182 1
1 581 . 6 1 1 A 58 58 GLU CB C 58 35.177 34.305 0.872 1
1 583 . 6 1 1 A 58 58 GLU N N 58 117.931 119.136 -1.205 1
1 584 . 6 1 1 A 59 59 GLN H H 59 9.205 8.717 0.488 1
1 585 . 6 1 1 A 59 59 GLN HA H 59 4.760 4.937 -0.177 1
1 592 . 6 1 1 A 59 59 GLN C C 59 175.807 175.551 0.256 1
1 593 . 6 1 1 A 59 59 GLN CA C 59 53.904 54.183 -0.279 1
1 594 . 6 1 1 A 59 59 GLN CB C 59 29.530 29.242 0.288 1
1 596 . 6 1 1 A 59 59 GLN N N 59 123.928 123.313 0.615 1
1 598 . 6 1 1 A 60 60 HIS H H 60 9.330 8.956 0.374 1
1 599 . 6 1 1 A 60 60 HIS HA H 60 4.945 4.412 0.533 1
1 604 . 6 1 1 A 60 60 HIS C C 60 175.428 175.336 0.092 1
1 605 . 6 1 1 A 60 60 HIS CA C 60 54.556 55.211 -0.655 1
1 606 . 6 1 1 A 60 60 HIS CB C 60 32.329 30.855 1.474 1
1 609 . 6 1 1 A 60 60 HIS N N 60 131.634 127.233 4.401 1
1 610 . 6 1 1 A 61 61 PRO HA H 61 4.269 4.208 0.061 1
1 617 . 6 1 1 A 61 61 PRO CA C 61 64.043 64.441 -0.398 1
1 618 . 6 1 1 A 61 61 PRO CB C 61 31.752 31.607 0.145 1
1 621 . 6 1 1 A 62 62 GLY H H 62 7.210 7.684 -0.474 1
1 622 . 6 1 1 A 62 62 GLY HA2 H 62 3.928 3.671 0.257 1
1 623 . 6 1 1 A 62 62 GLY HA3 H 62 3.666 3.851 -0.185 1
1 624 . 6 1 1 A 62 62 GLY CA C 62 46.610 46.786 -0.176 1
1 625 . 6 1 1 A 62 62 GLY N N 62 105.065 106.605 -1.540 1
1 626 . 6 1 1 A 63 63 ASP H H 63 8.237 8.088 0.149 1
1 627 . 6 1 1 A 63 63 ASP HA H 63 4.648 4.419 0.229 1
1 630 . 6 1 1 A 63 63 ASP C C 63 177.303 176.518 0.785 1
1 631 . 6 1 1 A 63 63 ASP CA C 63 53.182 55.257 -2.075 1
1 632 . 6 1 1 A 63 63 ASP CB C 63 42.216 41.235 0.981 1
1 633 . 6 1 1 A 63 63 ASP N N 63 118.685 122.156 -3.471 1
1 634 . 6 1 1 A 64 64 GLY H H 64 8.315 8.178 0.137 1
1 635 . 6 1 1 A 64 64 GLY HA2 H 64 3.900 3.801 0.099 1
1 636 . 6 1 1 A 64 64 GLY HA3 H 64 3.635 3.857 -0.222 1
1 637 . 6 1 1 A 64 64 GLY C C 64 174.457 173.562 0.895 1
1 638 . 6 1 1 A 64 64 GLY CA C 64 46.004 45.654 0.350 1
1 639 . 6 1 1 A 64 64 GLY N N 64 109.742 106.251 3.491 1
1 640 . 6 1 1 A 65 65 HIS H H 65 9.101 7.881 1.220 1
1 641 . 6 1 1 A 65 65 HIS HA H 65 4.675 5.054 -0.379 1
1 645 . 6 1 1 A 65 65 HIS C C 65 173.603 173.579 0.024 1
1 646 . 6 1 1 A 65 65 HIS CA C 65 55.208 54.358 0.850 1
1 647 . 6 1 1 A 65 65 HIS CB C 65 30.321 34.130 -3.809 1
1 649 . 6 1 1 A 65 65 HIS N N 65 121.111 116.787 4.324 1
1 650 . 6 1 1 A 66 66 PHE H H 66 8.841 8.673 0.168 1
1 651 . 6 1 1 A 66 66 PHE HA H 66 5.005 5.397 -0.392 1
1 659 . 6 1 1 A 66 66 PHE C C 66 174.272 174.450 -0.178 1
1 660 . 6 1 1 A 66 66 PHE CA C 66 57.904 56.105 1.799 1
1 661 . 6 1 1 A 66 66 PHE CB C 66 40.990 41.134 -0.144 1
1 667 . 6 1 1 A 66 66 PHE N N 66 118.465 117.748 0.717 1
1 668 . 6 1 1 A 67 67 TYR H H 67 8.714 9.317 -0.603 1
1 669 . 6 1 1 A 67 67 TYR HA H 67 5.676 5.148 0.528 1
1 676 . 6 1 1 A 67 67 TYR C C 67 176.345 175.762 0.583 1
1 677 . 6 1 1 A 67 67 TYR CA C 67 56.829 56.819 0.010 1
1 678 . 6 1 1 A 67 67 TYR CB C 67 43.668 43.110 0.558 1
1 683 . 6 1 1 A 67 67 TYR N N 67 117.828 121.366 -3.538 1
1 684 . 6 1 1 A 68 68 CYS H H 68 9.524 8.694 0.830 1
1 685 . 6 1 1 A 68 68 CYS HA H 68 5.152 4.907 0.245 1
1 688 . 6 1 1 A 68 68 CYS C C 68 176.563 176.249 0.314 1
1 689 . 6 1 1 A 68 68 CYS CA C 68 58.468 58.069 0.399 1
1 690 . 6 1 1 A 68 68 CYS CB C 68 29.373 29.357 0.016 1
1 691 . 6 1 1 A 68 68 CYS N N 68 120.631 120.221 0.410 1
1 692 . 6 1 1 A 69 69 LEU H H 69 7.630 8.750 -1.120 1
1 693 . 6 1 1 A 69 69 LEU HA H 69 3.952 4.392 -0.440 1
1 703 . 6 1 1 A 69 69 LEU C C 69 179.373 176.744 2.629 1
1 704 . 6 1 1 A 69 69 LEU CA C 69 58.080 55.218 2.862 1
1 705 . 6 1 1 A 69 69 LEU CB C 69 40.125 41.355 -1.230 1
1 709 . 6 1 1 A 69 69 LEU N N 69 117.279 121.474 -4.195 1
1 710 . 6 1 1 A 70 70 GLN H H 70 8.159 8.295 -0.136 1
1 711 . 6 1 1 A 70 70 GLN HA H 70 4.106 4.654 -0.548 1
1 718 . 6 1 1 A 70 70 GLN C C 70 177.094 176.937 0.157 1
1 719 . 6 1 1 A 70 70 GLN CA C 70 57.781 55.945 1.836 1
1 720 . 6 1 1 A 70 70 GLN CB C 70 28.537 30.726 -2.189 1
1 722 . 6 1 1 A 70 70 GLN N N 70 115.749 119.229 -3.480 1
1 724 . 6 1 1 A 71 71 HIS H H 71 7.651 8.002 -0.351 1
1 725 . 6 1 1 A 71 71 HIS HA H 71 4.917 4.731 0.186 1
1 730 . 6 1 1 A 71 71 HIS C C 71 173.431 175.063 -1.632 1
1 731 . 6 1 1 A 71 71 HIS CA C 71 56.142 56.262 -0.120 1
1 732 . 6 1 1 A 71 71 HIS CB C 71 33.010 31.711 1.299 1
1 735 . 6 1 1 A 71 71 HIS N N 71 116.846 115.974 0.872 1
1 736 . 6 1 1 A 72 72 LEU H H 72 7.154 7.473 -0.319 1
1 737 . 6 1 1 A 72 72 LEU HA H 72 3.772 4.095 -0.323 1
1 747 . 6 1 1 A 72 72 LEU C C 72 174.748 175.100 -0.352 1
1 748 . 6 1 1 A 72 72 LEU CA C 72 53.499 53.259 0.240 1
1 749 . 6 1 1 A 72 72 LEU CB C 72 42.729 42.913 -0.184 1
1 753 . 6 1 1 A 72 72 LEU N N 72 124.029 122.157 1.872 1
1 754 . 6 1 1 A 73 73 PRO HA H 73 4.145 4.459 -0.314 1
1 761 . 6 1 1 A 73 73 PRO C C 73 175.785 175.455 0.330 1
1 762 . 6 1 1 A 73 73 PRO CA C 73 63.050 62.109 0.941 1
1 763 . 6 1 1 A 73 73 PRO CB C 73 32.055 32.517 -0.462 1
1 766 . 6 1 1 A 74 74 GLN H H 74 8.359 8.542 -0.183 1
1 767 . 6 1 1 A 74 74 GLN HA H 74 4.386 4.929 -0.543 1
1 774 . 6 1 1 A 74 74 GLN C C 74 176.731 175.838 0.893 1
1 775 . 6 1 1 A 74 74 GLN CA C 74 55.526 54.379 1.147 1
1 776 . 6 1 1 A 74 74 GLN CB C 74 29.817 32.959 -3.142 1
1 778 . 6 1 1 A 74 74 GLN N N 74 120.467 118.682 1.785 1
1 780 . 6 1 1 A 75 75 THR H H 75 8.368 8.801 -0.433 1
1 781 . 6 1 1 A 75 75 THR HA H 75 4.390 4.412 -0.022 1
1 786 . 6 1 1 A 75 75 THR C C 75 174.257 173.811 0.446 1
1 787 . 6 1 1 A 75 75 THR CA C 75 61.993 62.314 -0.321 1
1 788 . 6 1 1 A 75 75 THR CB C 75 69.991 69.984 0.007 1
1 790 . 6 1 1 A 75 75 THR N N 75 116.318 115.554 0.764 1
1 791 . 6 1 1 A 76 76 ASP H H 76 8.528 9.015 -0.487 1
1 792 . 6 1 1 A 76 76 ASP HA H 76 4.700 4.932 -0.232 1
1 795 . 6 1 1 A 76 76 ASP C C 76 176.200 175.959 0.241 1
1 796 . 6 1 1 A 76 76 ASP CA C 76 54.363 54.967 -0.604 1
1 797 . 6 1 1 A 76 76 ASP CB C 76 41.362 43.660 -2.298 1
1 798 . 6 1 1 A 76 76 ASP N N 76 123.204 121.034 2.170 1
1 799 . 6 1 1 A 77 77 SER H H 77 8.346 7.822 0.524 1
1 800 . 6 1 1 A 77 77 SER HA H 77 4.497 4.728 -0.231 1
1 803 . 6 1 1 A 77 77 SER C C 77 174.724 173.892 0.832 1
1 804 . 6 1 1 A 77 77 SER CA C 77 58.451 56.726 1.725 1
1 805 . 6 1 1 A 77 77 SER CB C 77 64.101 65.309 -1.208 1
1 806 . 6 1 1 A 77 77 SER N N 77 116.515 113.698 2.817 1
1 807 . 6 1 1 A 78 78 GLY H H 78 8.330 7.962 0.368 1
1 808 . 6 1 1 A 78 78 GLY HA2 H 78 4.135 4.173 -0.038 1
1 809 . 6 1 1 A 78 78 GLY HA3 H 78 4.135 4.173 -0.038 1
1 810 . 6 1 1 A 78 78 GLY C C 78 171.883 170.994 0.889 1
1 811 . 6 1 1 A 78 78 GLY CA C 78 44.745 45.485 -0.740 1
1 812 . 6 1 1 A 78 78 GLY N N 78 110.837 110.634 0.203 1
1 813 . 6 1 1 A 79 79 PRO HA H 79 4.501 4.299 0.202 1
1 820 . 6 1 1 A 79 79 PRO C C 79 177.463 177.259 0.204 1
1 821 . 6 1 1 A 79 79 PRO CA C 79 63.332 63.523 -0.191 1
1 822 . 6 1 1 A 79 79 PRO CB C 79 32.229 31.595 0.634 1
1 825 . 6 1 1 A 80 80 SER H H 80 8.531 8.820 -0.289 1
1 826 . 6 1 1 A 80 80 SER HA H 80 4.521 4.207 0.314 1
1 829 . 6 1 1 A 80 80 SER C C 80 174.760 174.921 -0.161 1
1 830 . 6 1 1 A 80 80 SER CA C 80 58.398 58.995 -0.597 1
1 831 . 6 1 1 A 80 80 SER CB C 80 63.978 60.970 3.008 1
1 832 . 6 1 1 A 80 80 SER N N 80 116.479 119.296 -2.817 1
1 833 . 6 1 1 A 81 81 SER H H 81 8.358 7.572 0.786 1
1 834 . 6 1 1 A 81 81 SER HA H 81 4.530 4.124 0.406 1
1 837 . 6 1 1 A 81 81 SER C C 81 173.982 174.887 -0.905 1
1 838 . 6 1 1 A 81 81 SER CA C 81 58.416 61.159 -2.743 1
1 839 . 6 1 1 A 81 81 SER CB C 81 64.082 63.175 0.907 1
1 840 . 6 1 1 A 81 81 SER N N 81 117.964 118.551 -0.587 1
1 1 . 7 1 1 A 9 9 HIS HA H 9 4.627 5.295 -0.668 1
1 5 . 7 1 1 A 9 9 HIS C C 9 175.239 172.674 2.565 1
1 6 . 7 1 1 A 9 9 HIS CA C 9 56.347 53.971 2.376 1
1 7 . 7 1 1 A 9 9 HIS CB C 9 30.681 31.793 -1.112 1
1 9 . 7 1 1 A 10 10 GLN H H 10 8.313 8.810 -0.497 1
1 10 . 7 1 1 A 10 10 GLN HA H 10 4.323 4.447 -0.124 1
1 17 . 7 1 1 A 10 10 GLN C C 10 175.703 176.202 -0.499 1
1 18 . 7 1 1 A 10 10 GLN CA C 10 55.875 54.826 1.049 1
1 19 . 7 1 1 A 10 10 GLN CB C 10 29.726 28.273 1.453 1
1 21 . 7 1 1 A 10 10 GLN N N 10 122.031 125.143 -3.112 1
1 23 . 7 1 1 A 11 11 GLU H H 11 8.546 8.438 0.108 1
1 24 . 7 1 1 A 11 11 GLU HA H 11 4.275 4.613 -0.338 1
1 29 . 7 1 1 A 11 11 GLU C C 11 176.303 175.668 0.635 1
1 30 . 7 1 1 A 11 11 GLU CA C 11 56.472 55.466 1.006 1
1 31 . 7 1 1 A 11 11 GLU CB C 11 30.303 29.578 0.725 1
1 33 . 7 1 1 A 11 11 GLU N N 11 122.648 120.067 2.581 1
1 34 . 7 1 1 A 12 12 ALA H H 12 8.403 7.631 0.772 1
1 35 . 7 1 1 A 12 12 ALA HA H 12 4.288 4.564 -0.276 1
1 39 . 7 1 1 A 12 12 ALA C C 12 178.231 176.076 2.155 1
1 40 . 7 1 1 A 12 12 ALA CA C 12 52.759 51.007 1.752 1
1 41 . 7 1 1 A 12 12 ALA CB C 12 19.237 19.602 -0.365 1
1 42 . 7 1 1 A 12 12 ALA N N 12 125.516 123.504 2.012 1
1 43 . 7 1 1 A 13 13 GLY H H 13 8.490 8.533 -0.043 1
1 44 . 7 1 1 A 13 13 GLY HA2 H 13 3.994 4.279 -0.285 1
1 45 . 7 1 1 A 13 13 GLY HA3 H 13 3.890 4.279 -0.389 1
1 46 . 7 1 1 A 13 13 GLY C C 13 174.176 173.440 0.736 1
1 47 . 7 1 1 A 13 13 GLY CA C 13 45.094 44.927 0.167 1
1 48 . 7 1 1 A 13 13 GLY N N 13 108.839 109.977 -1.138 1
1 49 . 7 1 1 A 14 14 ALA H H 14 8.172 8.281 -0.109 1
1 50 . 7 1 1 A 14 14 ALA HA H 14 4.246 4.464 -0.218 1
1 54 . 7 1 1 A 14 14 ALA C C 14 178.304 177.593 0.711 1
1 55 . 7 1 1 A 14 14 ALA CA C 14 52.988 51.447 1.541 1
1 56 . 7 1 1 A 14 14 ALA CB C 14 19.228 18.443 0.785 1
1 57 . 7 1 1 A 14 14 ALA N N 14 123.459 126.227 -2.768 1
1 58 . 7 1 1 A 15 15 GLY H H 15 8.329 7.916 0.413 1
1 59 . 7 1 1 A 15 15 GLY HA2 H 15 3.578 3.848 -0.270 1
1 60 . 7 1 1 A 15 15 GLY HA3 H 15 3.578 3.866 -0.288 1
1 61 . 7 1 1 A 15 15 GLY C C 15 173.577 174.995 -1.418 1
1 62 . 7 1 1 A 15 15 GLY CA C 15 45.128 47.199 -2.071 1
1 63 . 7 1 1 A 15 15 GLY N N 15 107.276 107.341 -0.065 1
1 64 . 7 1 1 A 16 16 ASP H H 16 7.898 8.330 -0.432 1
1 65 . 7 1 1 A 16 16 ASP HA H 16 4.547 4.749 -0.202 1
1 68 . 7 1 1 A 16 16 ASP C C 16 174.898 174.382 0.516 1
1 69 . 7 1 1 A 16 16 ASP CA C 16 54.344 53.797 0.547 1
1 70 . 7 1 1 A 16 16 ASP CB C 16 41.534 40.066 1.468 1
1 71 . 7 1 1 A 16 16 ASP N N 16 118.642 118.294 0.348 1
1 72 . 7 1 1 A 17 17 LEU H H 17 7.822 7.323 0.499 1
1 73 . 7 1 1 A 17 17 LEU HA H 17 4.446 4.848 -0.402 1
1 83 . 7 1 1 A 17 17 LEU C C 17 175.902 175.722 0.180 1
1 84 . 7 1 1 A 17 17 LEU CA C 17 53.128 53.073 0.055 1
1 85 . 7 1 1 A 17 17 LEU CB C 17 44.656 45.239 -0.583 1
1 89 . 7 1 1 A 17 17 LEU N N 17 119.654 120.546 -0.892 1
1 90 . 7 1 1 A 18 18 CYS H H 18 8.080 8.315 -0.235 1
1 91 . 7 1 1 A 18 18 CYS HA H 18 4.248 4.355 -0.107 1
1 94 . 7 1 1 A 18 18 CYS C C 18 177.466 175.928 1.538 1
1 95 . 7 1 1 A 18 18 CYS CA C 18 58.398 59.581 -1.183 1
1 96 . 7 1 1 A 18 18 CYS CB C 18 31.990 28.362 3.628 1
1 97 . 7 1 1 A 18 18 CYS N N 18 123.013 124.558 -1.545 1
1 98 . 7 1 1 A 19 19 ALA H H 19 9.211 8.389 0.822 1
1 99 . 7 1 1 A 19 19 ALA HA H 19 4.172 4.019 0.153 1
1 103 . 7 1 1 A 19 19 ALA C C 19 177.724 179.674 -1.950 1
1 104 . 7 1 1 A 19 19 ALA CA C 19 54.327 53.296 1.031 1
1 105 . 7 1 1 A 19 19 ALA CB C 19 18.662 18.815 -0.153 1
1 106 . 7 1 1 A 19 19 ALA N N 19 132.258 129.081 3.177 1
1 107 . 7 1 1 A 20 20 LEU H H 20 8.911 7.703 1.208 1
1 108 . 7 1 1 A 20 20 LEU HA H 20 4.736 4.051 0.685 1
1 118 . 7 1 1 A 20 20 LEU C C 20 177.779 178.902 -1.123 1
1 119 . 7 1 1 A 20 20 LEU CA C 20 56.935 58.246 -1.311 1
1 120 . 7 1 1 A 20 20 LEU CB C 20 43.750 41.923 1.827 1
1 124 . 7 1 1 A 20 20 LEU N N 20 119.770 119.750 0.020 1
1 125 . 7 1 1 A 21 21 CYS H H 21 8.159 7.831 0.328 1
1 126 . 7 1 1 A 21 21 CYS HA H 21 4.962 4.438 0.524 1
1 129 . 7 1 1 A 21 21 CYS C C 21 176.947 175.533 1.414 1
1 130 . 7 1 1 A 21 21 CYS CA C 21 59.137 60.092 -0.955 1
1 131 . 7 1 1 A 21 21 CYS CB C 21 31.728 28.695 3.033 1
1 132 . 7 1 1 A 21 21 CYS N N 21 116.713 113.826 2.887 1
1 133 . 7 1 1 A 22 22 GLY H H 22 8.088 8.302 -0.214 1
1 134 . 7 1 1 A 22 22 GLY HA2 H 22 4.160 3.931 0.229 1
1 135 . 7 1 1 A 22 22 GLY HA3 H 22 3.865 3.965 -0.100 1
1 136 . 7 1 1 A 22 22 GLY C C 22 173.190 173.956 -0.766 1
1 137 . 7 1 1 A 22 22 GLY CA C 22 46.556 45.850 0.706 1
1 138 . 7 1 1 A 22 22 GLY N N 22 112.000 109.927 2.073 1
1 139 . 7 1 1 A 23 23 GLU H H 23 8.378 7.943 0.435 1
1 140 . 7 1 1 A 23 23 GLU HA H 23 4.712 4.838 -0.126 1
1 145 . 7 1 1 A 23 23 GLU C C 23 176.434 175.809 0.625 1
1 146 . 7 1 1 A 23 23 GLU CA C 23 55.014 54.443 0.571 1
1 147 . 7 1 1 A 23 23 GLU CB C 23 31.557 32.920 -1.363 1
1 149 . 7 1 1 A 23 23 GLU N N 23 118.877 119.162 -0.285 1
1 150 . 7 1 1 A 24 24 HIS H H 24 8.666 8.760 -0.094 1
1 151 . 7 1 1 A 24 24 HIS HA H 24 4.333 4.523 -0.190 1
1 156 . 7 1 1 A 24 24 HIS C C 24 175.281 174.343 0.938 1
1 157 . 7 1 1 A 24 24 HIS CA C 24 58.186 57.933 0.253 1
1 158 . 7 1 1 A 24 24 HIS CB C 24 30.099 30.568 -0.469 1
1 161 . 7 1 1 A 24 24 HIS N N 24 118.732 121.785 -3.053 1
1 162 . 7 1 1 A 25 25 LEU H H 25 7.928 8.696 -0.768 1
1 163 . 7 1 1 A 25 25 LEU HA H 25 4.174 5.071 -0.897 1
1 173 . 7 1 1 A 25 25 LEU C C 25 175.186 174.962 0.224 1
1 174 . 7 1 1 A 25 25 LEU CA C 25 53.992 53.844 0.148 1
1 175 . 7 1 1 A 25 25 LEU CB C 25 43.742 45.300 -1.558 1
1 179 . 7 1 1 A 25 25 LEU N N 25 125.590 125.169 0.421 1
1 180 . 7 1 1 A 26 26 TYR H H 26 8.768 9.085 -0.317 1
1 181 . 7 1 1 A 26 26 TYR HA H 26 4.651 4.923 -0.272 1
1 188 . 7 1 1 A 26 26 TYR C C 26 177.267 177.081 0.186 1
1 189 . 7 1 1 A 26 26 TYR CA C 26 57.270 57.361 -0.091 1
1 190 . 7 1 1 A 26 26 TYR CB C 26 38.210 39.818 -1.608 1
1 195 . 7 1 1 A 26 26 TYR N N 26 123.119 125.761 -2.642 1
1 196 . 7 1 1 A 27 27 VAL H H 27 8.086 7.669 0.417 1
1 197 . 7 1 1 A 27 27 VAL HA H 27 3.809 3.747 0.062 1
1 205 . 7 1 1 A 27 27 VAL C C 27 176.958 175.897 1.061 1
1 206 . 7 1 1 A 27 27 VAL CA C 27 64.551 63.582 0.969 1
1 207 . 7 1 1 A 27 27 VAL CB C 27 31.788 31.282 0.506 1
1 210 . 7 1 1 A 27 27 VAL N N 27 121.055 122.708 -1.653 1
1 211 . 7 1 1 A 28 28 LEU H H 28 7.665 7.602 0.063 1
1 212 . 7 1 1 A 28 28 LEU HA H 28 4.285 4.402 -0.117 1
1 222 . 7 1 1 A 28 28 LEU C C 28 177.710 178.103 -0.393 1
1 223 . 7 1 1 A 28 28 LEU CA C 28 56.297 55.909 0.388 1
1 224 . 7 1 1 A 28 28 LEU CB C 28 41.998 43.821 -1.823 1
1 228 . 7 1 1 A 28 28 LEU N N 28 119.062 120.643 -1.581 1
1 229 . 7 1 1 A 29 29 GLU H H 29 7.961 8.329 -0.368 1
1 230 . 7 1 1 A 29 29 GLU HA H 29 4.479 4.286 0.193 1
1 235 . 7 1 1 A 29 29 GLU C C 29 175.755 176.788 -1.033 1
1 236 . 7 1 1 A 29 29 GLU CA C 29 56.248 59.354 -3.106 1
1 237 . 7 1 1 A 29 29 GLU CB C 29 30.550 29.806 0.744 1
1 239 . 7 1 1 A 29 29 GLU N N 29 117.067 118.720 -1.653 1
1 240 . 7 1 1 A 30 30 ARG H H 30 7.724 7.180 0.544 1
1 241 . 7 1 1 A 30 30 ARG HA H 30 4.688 4.307 0.381 1
1 248 . 7 1 1 A 30 30 ARG C C 30 174.546 176.170 -1.624 1
1 249 . 7 1 1 A 30 30 ARG CA C 30 55.948 56.467 -0.519 1
1 250 . 7 1 1 A 30 30 ARG CB C 30 33.034 30.427 2.607 1
1 253 . 7 1 1 A 30 30 ARG N N 30 120.305 118.164 2.141 1
1 254 . 7 1 1 A 31 31 LEU H H 31 8.970 9.077 -0.107 1
1 255 . 7 1 1 A 31 31 LEU HA H 31 4.635 4.793 -0.158 1
1 265 . 7 1 1 A 31 31 LEU C C 31 174.536 175.244 -0.708 1
1 266 . 7 1 1 A 31 31 LEU CA C 31 54.168 53.825 0.343 1
1 267 . 7 1 1 A 31 31 LEU CB C 31 45.021 41.876 3.145 1
1 271 . 7 1 1 A 31 31 LEU N N 31 124.553 125.308 -0.755 1
1 272 . 7 1 1 A 32 32 CYS H H 32 8.558 9.139 -0.581 1
1 273 . 7 1 1 A 32 32 CYS HA H 32 4.954 4.404 0.550 1
1 276 . 7 1 1 A 32 32 CYS C C 32 174.418 173.862 0.556 1
1 277 . 7 1 1 A 32 32 CYS CA C 32 56.874 58.825 -1.951 1
1 278 . 7 1 1 A 32 32 CYS CB C 32 28.054 27.348 0.706 1
1 279 . 7 1 1 A 32 32 CYS N N 32 124.126 124.604 -0.478 1
1 280 . 7 1 1 A 33 33 VAL H H 33 8.893 8.856 0.037 1
1 281 . 7 1 1 A 33 33 VAL HA H 33 4.103 4.384 -0.281 1
1 289 . 7 1 1 A 33 33 VAL C C 33 175.525 175.897 -0.372 1
1 290 . 7 1 1 A 33 33 VAL CA C 33 61.551 61.115 0.436 1
1 291 . 7 1 1 A 33 33 VAL CB C 33 34.027 34.016 0.011 1
1 294 . 7 1 1 A 33 33 VAL N N 33 129.037 127.672 1.365 1
1 295 . 7 1 1 A 34 34 ASN HA H 34 4.389 4.393 -0.004 1
1 300 . 7 1 1 A 34 34 ASN C C 34 174.946 175.209 -0.263 1
1 301 . 7 1 1 A 34 34 ASN CA C 34 53.922 54.452 -0.530 1
1 302 . 7 1 1 A 34 34 ASN CB C 34 37.332 37.004 0.328 1
1 304 . 7 1 1 A 35 35 GLY H H 35 7.896 8.123 -0.227 1
1 305 . 7 1 1 A 35 35 GLY HA2 H 35 3.891 3.613 0.278 1
1 306 . 7 1 1 A 35 35 GLY HA3 H 35 3.180 3.621 -0.441 1
1 307 . 7 1 1 A 35 35 GLY C C 35 172.892 174.177 -1.285 1
1 308 . 7 1 1 A 35 35 GLY CA C 35 45.290 45.020 0.270 1
1 309 . 7 1 1 A 35 35 GLY N N 35 102.630 104.945 -2.315 1
1 310 . 7 1 1 A 36 36 HIS H H 36 7.694 7.293 0.401 1
1 311 . 7 1 1 A 36 36 HIS HA H 36 4.433 4.276 0.157 1
1 315 . 7 1 1 A 36 36 HIS C C 36 172.910 174.072 -1.162 1
1 316 . 7 1 1 A 36 36 HIS CA C 36 54.433 55.877 -1.444 1
1 317 . 7 1 1 A 36 36 HIS CB C 36 32.464 30.753 1.711 1
1 319 . 7 1 1 A 36 36 HIS N N 36 119.651 118.285 1.366 1
1 320 . 7 1 1 A 37 37 PHE H H 37 8.502 8.659 -0.157 1
1 321 . 7 1 1 A 37 37 PHE HA H 37 5.314 5.486 -0.172 1
1 329 . 7 1 1 A 37 37 PHE C C 37 174.239 174.490 -0.251 1
1 330 . 7 1 1 A 37 37 PHE CA C 37 56.424 55.713 0.711 1
1 331 . 7 1 1 A 37 37 PHE CB C 37 41.572 41.456 0.116 1
1 337 . 7 1 1 A 37 37 PHE N N 37 119.583 119.275 0.308 1
1 338 . 7 1 1 A 38 38 PHE H H 38 8.664 9.239 -0.575 1
1 339 . 7 1 1 A 38 38 PHE HA H 38 5.866 4.978 0.888 1
1 347 . 7 1 1 A 38 38 PHE C C 38 177.496 175.192 2.304 1
1 348 . 7 1 1 A 38 38 PHE CA C 38 55.296 56.248 -0.952 1
1 349 . 7 1 1 A 38 38 PHE CB C 38 44.392 43.639 0.753 1
1 355 . 7 1 1 A 38 38 PHE N N 38 116.719 120.590 -3.871 1
1 356 . 7 1 1 A 39 39 HIS H H 39 8.854 8.374 0.480 1
1 357 . 7 1 1 A 39 39 HIS HA H 39 4.675 4.758 -0.083 1
1 362 . 7 1 1 A 39 39 HIS C C 39 178.476 176.689 1.787 1
1 363 . 7 1 1 A 39 39 HIS CA C 39 59.297 56.478 2.819 1
1 364 . 7 1 1 A 39 39 HIS CB C 39 30.980 30.521 0.459 1
1 367 . 7 1 1 A 39 39 HIS N N 39 120.015 119.301 0.714 1
1 368 . 7 1 1 A 40 40 ARG H H 40 9.256 9.343 -0.087 1
1 369 . 7 1 1 A 40 40 ARG HA H 40 3.965 4.167 -0.202 1
1 376 . 7 1 1 A 40 40 ARG C C 40 179.459 177.021 2.438 1
1 377 . 7 1 1 A 40 40 ARG CA C 40 60.547 58.728 1.819 1
1 378 . 7 1 1 A 40 40 ARG CB C 40 29.598 30.009 -0.411 1
1 381 . 7 1 1 A 40 40 ARG N N 40 126.206 123.979 2.227 1
1 382 . 7 1 1 A 41 41 SER H H 41 8.643 7.851 0.792 1
1 383 . 7 1 1 A 41 41 SER HA H 41 4.221 4.535 -0.314 1
1 386 . 7 1 1 A 41 41 SER C C 41 175.499 176.645 -1.146 1
1 387 . 7 1 1 A 41 41 SER CA C 41 60.160 59.878 0.282 1
1 388 . 7 1 1 A 41 41 SER CB C 41 62.847 64.117 -1.270 1
1 389 . 7 1 1 A 41 41 SER N N 41 109.970 113.564 -3.594 1
1 390 . 7 1 1 A 42 42 CYS H H 42 7.427 8.491 -1.064 1
1 391 . 7 1 1 A 42 42 CYS HA H 42 4.306 4.105 0.201 1
1 394 . 7 1 1 A 42 42 CYS C C 42 174.200 176.267 -2.067 1
1 395 . 7 1 1 A 42 42 CYS CA C 42 61.569 63.335 -1.766 1
1 396 . 7 1 1 A 42 42 CYS CB C 42 30.945 28.250 2.695 1
1 397 . 7 1 1 A 42 42 CYS N N 42 118.020 119.135 -1.115 1
1 398 . 7 1 1 A 43 43 PHE H H 43 7.257 7.693 -0.436 1
1 399 . 7 1 1 A 43 43 PHE HA H 43 4.122 4.238 -0.116 1
1 407 . 7 1 1 A 43 43 PHE C C 43 172.037 174.584 -2.547 1
1 408 . 7 1 1 A 43 43 PHE CA C 43 57.112 58.821 -1.709 1
1 409 . 7 1 1 A 43 43 PHE CB C 43 37.448 39.098 -1.650 1
1 415 . 7 1 1 A 43 43 PHE N N 43 122.965 121.371 1.594 1
1 416 . 7 1 1 A 44 44 ARG H H 44 7.110 8.289 -1.179 1
1 417 . 7 1 1 A 44 44 ARG HA H 44 4.821 4.699 0.122 1
1 424 . 7 1 1 A 44 44 ARG C C 44 174.097 174.893 -0.796 1
1 425 . 7 1 1 A 44 44 ARG CA C 44 53.323 53.521 -0.198 1
1 426 . 7 1 1 A 44 44 ARG CB C 44 34.911 34.099 0.812 1
1 429 . 7 1 1 A 44 44 ARG N N 44 123.199 125.647 -2.448 1
1 430 . 7 1 1 A 45 45 CYS H H 45 8.580 8.263 0.317 1
1 431 . 7 1 1 A 45 45 CYS HA H 45 4.055 4.493 -0.438 1
1 434 . 7 1 1 A 45 45 CYS C C 45 177.493 175.033 2.460 1
1 435 . 7 1 1 A 45 45 CYS CA C 45 59.878 59.606 0.272 1
1 436 . 7 1 1 A 45 45 CYS CB C 45 32.052 28.930 3.122 1
1 437 . 7 1 1 A 45 45 CYS N N 45 121.527 120.980 0.547 1
1 438 . 7 1 1 A 46 46 HIS H H 46 9.187 8.569 0.618 1
1 439 . 7 1 1 A 46 46 HIS HA H 46 4.184 4.537 -0.353 1
1 443 . 7 1 1 A 46 46 HIS C C 46 175.000 176.317 -1.317 1
1 444 . 7 1 1 A 46 46 HIS CA C 46 59.137 57.134 2.003 1
1 445 . 7 1 1 A 46 46 HIS CB C 46 29.560 30.468 -0.908 1
1 447 . 7 1 1 A 46 46 HIS N N 46 130.205 124.730 5.475 1
1 448 . 7 1 1 A 47 47 THR H H 47 8.848 7.555 1.293 1
1 449 . 7 1 1 A 47 47 THR HA H 47 4.134 4.450 -0.316 1
1 454 . 7 1 1 A 47 47 THR C C 47 174.926 175.948 -1.022 1
1 455 . 7 1 1 A 47 47 THR CA C 47 65.535 63.132 2.403 1
1 456 . 7 1 1 A 47 47 THR CB C 47 70.010 70.615 -0.605 1
1 458 . 7 1 1 A 47 47 THR N N 47 116.066 111.655 4.411 1
1 459 . 7 1 1 A 48 48 CYS H H 48 8.181 8.020 0.161 1
1 460 . 7 1 1 A 48 48 CYS HA H 48 4.821 4.599 0.222 1
1 463 . 7 1 1 A 48 48 CYS C C 48 176.004 175.101 0.903 1
1 464 . 7 1 1 A 48 48 CYS CA C 48 59.050 58.183 0.867 1
1 465 . 7 1 1 A 48 48 CYS CB C 48 32.944 29.523 3.421 1
1 466 . 7 1 1 A 48 48 CYS N N 48 119.626 116.552 3.074 1
1 467 . 7 1 1 A 49 49 GLU H H 49 8.081 8.133 -0.052 1
1 468 . 7 1 1 A 49 49 GLU HA H 49 3.865 4.345 -0.480 1
1 473 . 7 1 1 A 49 49 GLU C C 49 174.137 175.303 -1.166 1
1 474 . 7 1 1 A 49 49 GLU CA C 49 58.732 57.185 1.547 1
1 475 . 7 1 1 A 49 49 GLU CB C 49 27.345 27.315 0.030 1
1 477 . 7 1 1 A 49 49 GLU N N 49 116.307 120.058 -3.751 1
1 478 . 7 1 1 A 50 50 ALA H H 50 8.498 7.758 0.740 1
1 479 . 7 1 1 A 50 50 ALA HA H 50 4.388 4.577 -0.189 1
1 483 . 7 1 1 A 50 50 ALA C C 50 178.362 176.939 1.423 1
1 484 . 7 1 1 A 50 50 ALA CA C 50 53.111 50.378 2.733 1
1 485 . 7 1 1 A 50 50 ALA CB C 50 20.334 20.456 -0.122 1
1 486 . 7 1 1 A 50 50 ALA N N 50 124.211 122.814 1.397 1
1 487 . 7 1 1 A 51 51 THR H H 51 8.470 8.425 0.045 1
1 488 . 7 1 1 A 51 51 THR HA H 51 3.811 3.838 -0.027 1
1 493 . 7 1 1 A 51 51 THR C C 51 173.931 173.793 0.138 1
1 494 . 7 1 1 A 51 51 THR CA C 51 64.345 63.624 0.721 1
1 495 . 7 1 1 A 51 51 THR CB C 51 69.428 68.219 1.209 1
1 497 . 7 1 1 A 51 51 THR N N 51 117.025 117.326 -0.301 1
1 498 . 7 1 1 A 52 52 LEU H H 52 7.421 8.131 -0.710 1
1 499 . 7 1 1 A 52 52 LEU HA H 52 4.439 4.267 0.172 1
1 509 . 7 1 1 A 52 52 LEU C C 52 175.390 175.920 -0.530 1
1 510 . 7 1 1 A 52 52 LEU CA C 52 53.728 54.586 -0.858 1
1 511 . 7 1 1 A 52 52 LEU CB C 52 42.020 40.391 1.629 1
1 515 . 7 1 1 A 52 52 LEU N N 52 125.339 127.662 -2.323 1
1 516 . 7 1 1 A 53 53 TRP H H 53 8.089 8.557 -0.468 1
1 517 . 7 1 1 A 53 53 TRP HA H 53 5.148 4.782 0.366 1
1 526 . 7 1 1 A 53 53 TRP C C 53 173.534 176.828 -3.294 1
1 527 . 7 1 1 A 53 53 TRP CA C 53 54.345 56.418 -2.073 1
1 528 . 7 1 1 A 53 53 TRP CB C 53 30.134 29.747 0.387 1
1 534 . 7 1 1 A 53 53 TRP N N 53 120.731 126.201 -5.470 1
1 536 . 7 1 1 A 54 54 PRO HA H 54 4.553 4.678 -0.125 1
1 543 . 7 1 1 A 54 54 PRO CA C 54 64.882 64.162 0.720 1
1 544 . 7 1 1 A 54 54 PRO CB C 54 31.969 31.611 0.358 1
1 547 . 7 1 1 A 55 55 GLY HA2 H 55 4.330 4.170 0.160 1
1 548 . 7 1 1 A 55 55 GLY HA3 H 55 3.795 4.195 -0.400 1
1 549 . 7 1 1 A 55 55 GLY C C 55 175.195 173.934 1.261 1
1 550 . 7 1 1 A 55 55 GLY CA C 55 45.586 45.739 -0.153 1
1 551 . 7 1 1 A 56 56 GLY H H 56 8.653 7.473 1.180 1
1 552 . 7 1 1 A 56 56 GLY HA2 H 56 4.567 4.229 0.338 1
1 553 . 7 1 1 A 56 56 GLY HA3 H 56 3.380 4.288 -0.908 1
1 554 . 7 1 1 A 56 56 GLY C C 56 174.377 172.822 1.555 1
1 555 . 7 1 1 A 56 56 GLY CA C 56 45.237 45.845 -0.608 1
1 556 . 7 1 1 A 56 56 GLY N N 56 107.803 107.098 0.705 1
1 557 . 7 1 1 A 57 57 TYR H H 57 7.269 7.984 -0.715 1
1 558 . 7 1 1 A 57 57 TYR HA H 57 5.600 5.287 0.313 1
1 565 . 7 1 1 A 57 57 TYR C C 57 173.258 173.746 -0.488 1
1 566 . 7 1 1 A 57 57 TYR CA C 57 55.666 56.380 -0.714 1
1 567 . 7 1 1 A 57 57 TYR CB C 57 44.451 41.090 3.361 1
1 572 . 7 1 1 A 57 57 TYR N N 57 116.315 115.998 0.317 1
1 573 . 7 1 1 A 58 58 GLU H H 58 8.948 8.935 0.013 1
1 574 . 7 1 1 A 58 58 GLU HA H 58 4.546 4.554 -0.008 1
1 579 . 7 1 1 A 58 58 GLU C C 58 174.242 174.286 -0.044 1
1 580 . 7 1 1 A 58 58 GLU CA C 58 55.790 55.289 0.501 1
1 581 . 7 1 1 A 58 58 GLU CB C 58 35.177 34.195 0.982 1
1 583 . 7 1 1 A 58 58 GLU N N 58 117.931 118.880 -0.949 1
1 584 . 7 1 1 A 59 59 GLN H H 59 9.205 8.744 0.461 1
1 585 . 7 1 1 A 59 59 GLN HA H 59 4.760 4.927 -0.167 1
1 592 . 7 1 1 A 59 59 GLN C C 59 175.807 175.643 0.164 1
1 593 . 7 1 1 A 59 59 GLN CA C 59 53.904 54.472 -0.568 1
1 594 . 7 1 1 A 59 59 GLN CB C 59 29.530 31.042 -1.512 1
1 596 . 7 1 1 A 59 59 GLN N N 59 123.928 122.893 1.035 1
1 598 . 7 1 1 A 60 60 HIS H H 60 9.330 8.696 0.634 1
1 599 . 7 1 1 A 60 60 HIS HA H 60 4.945 4.673 0.272 1
1 604 . 7 1 1 A 60 60 HIS C C 60 175.428 175.286 0.142 1
1 605 . 7 1 1 A 60 60 HIS CA C 60 54.556 55.020 -0.464 1
1 606 . 7 1 1 A 60 60 HIS CB C 60 32.329 31.310 1.019 1
1 609 . 7 1 1 A 60 60 HIS N N 60 131.634 126.882 4.752 1
1 610 . 7 1 1 A 61 61 PRO HA H 61 4.269 4.193 0.076 1
1 617 . 7 1 1 A 61 61 PRO CA C 61 64.043 64.166 -0.123 1
1 618 . 7 1 1 A 61 61 PRO CB C 61 31.752 31.512 0.240 1
1 621 . 7 1 1 A 62 62 GLY H H 62 7.210 7.431 -0.221 1
1 622 . 7 1 1 A 62 62 GLY HA2 H 62 3.928 3.640 0.288 1
1 623 . 7 1 1 A 62 62 GLY HA3 H 62 3.666 3.784 -0.118 1
1 624 . 7 1 1 A 62 62 GLY CA C 62 46.610 47.035 -0.425 1
1 625 . 7 1 1 A 62 62 GLY N N 62 105.065 106.906 -1.841 1
1 626 . 7 1 1 A 63 63 ASP H H 63 8.237 7.912 0.325 1
1 627 . 7 1 1 A 63 63 ASP HA H 63 4.648 4.689 -0.041 1
1 630 . 7 1 1 A 63 63 ASP C C 63 177.303 176.359 0.944 1
1 631 . 7 1 1 A 63 63 ASP CA C 63 53.182 55.104 -1.922 1
1 632 . 7 1 1 A 63 63 ASP CB C 63 42.216 41.718 0.498 1
1 633 . 7 1 1 A 63 63 ASP N N 63 118.685 122.059 -3.374 1
1 634 . 7 1 1 A 64 64 GLY H H 64 8.315 7.753 0.562 1
1 635 . 7 1 1 A 64 64 GLY HA2 H 64 3.900 3.909 -0.009 1
1 636 . 7 1 1 A 64 64 GLY HA3 H 64 3.635 3.930 -0.295 1
1 637 . 7 1 1 A 64 64 GLY C C 64 174.457 173.704 0.753 1
1 638 . 7 1 1 A 64 64 GLY CA C 64 46.004 45.373 0.631 1
1 639 . 7 1 1 A 64 64 GLY N N 64 109.742 106.892 2.850 1
1 640 . 7 1 1 A 65 65 HIS H H 65 9.101 8.007 1.094 1
1 641 . 7 1 1 A 65 65 HIS HA H 65 4.675 4.863 -0.188 1
1 645 . 7 1 1 A 65 65 HIS C C 65 173.603 173.698 -0.095 1
1 646 . 7 1 1 A 65 65 HIS CA C 65 55.208 54.822 0.386 1
1 647 . 7 1 1 A 65 65 HIS CB C 65 30.321 34.056 -3.735 1
1 649 . 7 1 1 A 65 65 HIS N N 65 121.111 117.038 4.073 1
1 650 . 7 1 1 A 66 66 PHE H H 66 8.841 8.694 0.147 1
1 651 . 7 1 1 A 66 66 PHE HA H 66 5.005 5.430 -0.425 1
1 659 . 7 1 1 A 66 66 PHE C C 66 174.272 174.318 -0.046 1
1 660 . 7 1 1 A 66 66 PHE CA C 66 57.904 56.081 1.823 1
1 661 . 7 1 1 A 66 66 PHE CB C 66 40.990 41.318 -0.328 1
1 667 . 7 1 1 A 66 66 PHE N N 66 118.465 117.810 0.655 1
1 668 . 7 1 1 A 67 67 TYR H H 67 8.714 9.201 -0.487 1
1 669 . 7 1 1 A 67 67 TYR HA H 67 5.676 5.152 0.524 1
1 676 . 7 1 1 A 67 67 TYR C C 67 176.345 175.917 0.428 1
1 677 . 7 1 1 A 67 67 TYR CA C 67 56.829 56.386 0.443 1
1 678 . 7 1 1 A 67 67 TYR CB C 67 43.668 43.045 0.623 1
1 683 . 7 1 1 A 67 67 TYR N N 67 117.828 121.377 -3.549 1
1 684 . 7 1 1 A 68 68 CYS H H 68 9.524 8.571 0.953 1
1 685 . 7 1 1 A 68 68 CYS HA H 68 5.152 4.806 0.346 1
1 688 . 7 1 1 A 68 68 CYS C C 68 176.563 176.073 0.490 1
1 689 . 7 1 1 A 68 68 CYS CA C 68 58.468 58.432 0.036 1
1 690 . 7 1 1 A 68 68 CYS CB C 68 29.373 29.687 -0.314 1
1 691 . 7 1 1 A 68 68 CYS N N 68 120.631 120.790 -0.159 1
1 692 . 7 1 1 A 69 69 LEU H H 69 7.630 8.734 -1.104 1
1 693 . 7 1 1 A 69 69 LEU HA H 69 3.952 4.406 -0.454 1
1 703 . 7 1 1 A 69 69 LEU C C 69 179.373 176.792 2.581 1
1 704 . 7 1 1 A 69 69 LEU CA C 69 58.080 55.266 2.814 1
1 705 . 7 1 1 A 69 69 LEU CB C 69 40.125 41.306 -1.181 1
1 709 . 7 1 1 A 69 69 LEU N N 69 117.279 122.398 -5.119 1
1 710 . 7 1 1 A 70 70 GLN H H 70 8.159 8.253 -0.094 1
1 711 . 7 1 1 A 70 70 GLN HA H 70 4.106 4.640 -0.534 1
1 718 . 7 1 1 A 70 70 GLN C C 70 177.094 177.012 0.082 1
1 719 . 7 1 1 A 70 70 GLN CA C 70 57.781 55.977 1.804 1
1 720 . 7 1 1 A 70 70 GLN CB C 70 28.537 30.909 -2.372 1
1 722 . 7 1 1 A 70 70 GLN N N 70 115.749 119.401 -3.652 1
1 724 . 7 1 1 A 71 71 HIS H H 71 7.651 7.697 -0.046 1
1 725 . 7 1 1 A 71 71 HIS HA H 71 4.917 4.732 0.185 1
1 730 . 7 1 1 A 71 71 HIS C C 71 173.431 174.945 -1.514 1
1 731 . 7 1 1 A 71 71 HIS CA C 71 56.142 56.261 -0.119 1
1 732 . 7 1 1 A 71 71 HIS CB C 71 33.010 31.714 1.296 1
1 735 . 7 1 1 A 71 71 HIS N N 71 116.846 115.586 1.260 1
1 736 . 7 1 1 A 72 72 LEU H H 72 7.154 7.489 -0.335 1
1 737 . 7 1 1 A 72 72 LEU HA H 72 3.772 4.090 -0.318 1
1 747 . 7 1 1 A 72 72 LEU C C 72 174.748 175.086 -0.338 1
1 748 . 7 1 1 A 72 72 LEU CA C 72 53.499 53.255 0.244 1
1 749 . 7 1 1 A 72 72 LEU CB C 72 42.729 42.967 -0.238 1
1 753 . 7 1 1 A 72 72 LEU N N 72 124.029 121.884 2.145 1
1 754 . 7 1 1 A 73 73 PRO HA H 73 4.145 4.484 -0.339 1
1 761 . 7 1 1 A 73 73 PRO C C 73 175.785 175.584 0.201 1
1 762 . 7 1 1 A 73 73 PRO CA C 73 63.050 62.115 0.935 1
1 763 . 7 1 1 A 73 73 PRO CB C 73 32.055 32.432 -0.377 1
1 766 . 7 1 1 A 74 74 GLN H H 74 8.359 8.472 -0.113 1
1 767 . 7 1 1 A 74 74 GLN HA H 74 4.386 5.028 -0.642 1
1 774 . 7 1 1 A 74 74 GLN C C 74 176.731 175.404 1.327 1
1 775 . 7 1 1 A 74 74 GLN CA C 74 55.526 54.715 0.811 1
1 776 . 7 1 1 A 74 74 GLN CB C 74 29.817 31.490 -1.673 1
1 778 . 7 1 1 A 74 74 GLN N N 74 120.467 118.919 1.548 1
1 780 . 7 1 1 A 75 75 THR H H 75 8.368 8.858 -0.490 1
1 781 . 7 1 1 A 75 75 THR HA H 75 4.390 4.340 0.050 1
1 786 . 7 1 1 A 75 75 THR C C 75 174.257 174.326 -0.069 1
1 787 . 7 1 1 A 75 75 THR CA C 75 61.993 62.683 -0.690 1
1 788 . 7 1 1 A 75 75 THR CB C 75 69.991 69.191 0.800 1
1 790 . 7 1 1 A 75 75 THR N N 75 116.318 119.059 -2.741 1
1 791 . 7 1 1 A 76 76 ASP H H 76 8.528 8.947 -0.419 1
1 792 . 7 1 1 A 76 76 ASP HA H 76 4.700 4.906 -0.206 1
1 795 . 7 1 1 A 76 76 ASP C C 76 176.200 175.466 0.734 1
1 796 . 7 1 1 A 76 76 ASP CA C 76 54.363 53.773 0.590 1
1 797 . 7 1 1 A 76 76 ASP CB C 76 41.362 40.864 0.498 1
1 798 . 7 1 1 A 76 76 ASP N N 76 123.204 126.077 -2.873 1
1 799 . 7 1 1 A 77 77 SER H H 77 8.346 7.638 0.708 1
1 800 . 7 1 1 A 77 77 SER HA H 77 4.497 4.448 0.049 1
1 803 . 7 1 1 A 77 77 SER C C 77 174.724 174.241 0.483 1
1 804 . 7 1 1 A 77 77 SER CA C 77 58.451 58.813 -0.362 1
1 805 . 7 1 1 A 77 77 SER CB C 77 64.101 63.898 0.203 1
1 806 . 7 1 1 A 77 77 SER N N 77 116.515 114.439 2.076 1
1 807 . 7 1 1 A 78 78 GLY H H 78 8.330 8.426 -0.096 1
1 808 . 7 1 1 A 78 78 GLY HA2 H 78 4.135 4.230 -0.095 1
1 809 . 7 1 1 A 78 78 GLY HA3 H 78 4.135 4.230 -0.095 1
1 810 . 7 1 1 A 78 78 GLY C C 78 171.883 174.028 -2.145 1
1 811 . 7 1 1 A 78 78 GLY CA C 78 44.745 45.589 -0.844 1
1 812 . 7 1 1 A 78 78 GLY N N 78 110.837 110.169 0.668 1
1 813 . 7 1 1 A 79 79 PRO HA H 79 4.501 4.451 0.050 1
1 820 . 7 1 1 A 79 79 PRO C C 79 177.463 176.008 1.455 1
1 821 . 7 1 1 A 79 79 PRO CA C 79 63.332 64.710 -1.378 1
1 822 . 7 1 1 A 79 79 PRO CB C 79 32.229 32.056 0.173 1
1 825 . 7 1 1 A 80 80 SER H H 80 8.531 7.406 1.125 1
1 826 . 7 1 1 A 80 80 SER HA H 80 4.521 4.832 -0.311 1
1 829 . 7 1 1 A 80 80 SER C C 80 174.760 173.188 1.572 1
1 830 . 7 1 1 A 80 80 SER CA C 80 58.398 57.210 1.188 1
1 831 . 7 1 1 A 80 80 SER CB C 80 63.978 66.029 -2.051 1
1 832 . 7 1 1 A 80 80 SER N N 80 116.479 108.445 8.034 1
1 833 . 7 1 1 A 81 81 SER H H 81 8.358 8.756 -0.398 1
1 834 . 7 1 1 A 81 81 SER HA H 81 4.530 4.284 0.246 1
1 837 . 7 1 1 A 81 81 SER C C 81 173.982 174.654 -0.672 1
1 838 . 7 1 1 A 81 81 SER CA C 81 58.416 59.712 -1.296 1
1 839 . 7 1 1 A 81 81 SER CB C 81 64.082 62.708 1.374 1
1 840 . 7 1 1 A 81 81 SER N N 81 117.964 118.252 -0.288 1
1 1 . 8 1 1 A 9 9 HIS HA H 9 4.627 5.218 -0.591 1
1 5 . 8 1 1 A 9 9 HIS C C 9 175.239 173.506 1.733 1
1 6 . 8 1 1 A 9 9 HIS CA C 9 56.347 54.372 1.975 1
1 7 . 8 1 1 A 9 9 HIS CB C 9 30.681 33.093 -2.412 1
1 9 . 8 1 1 A 10 10 GLN H H 10 8.313 9.098 -0.785 1
1 10 . 8 1 1 A 10 10 GLN HA H 10 4.323 5.124 -0.801 1
1 17 . 8 1 1 A 10 10 GLN C C 10 175.703 174.889 0.814 1
1 18 . 8 1 1 A 10 10 GLN CA C 10 55.875 53.955 1.920 1
1 19 . 8 1 1 A 10 10 GLN CB C 10 29.726 32.267 -2.541 1
1 21 . 8 1 1 A 10 10 GLN N N 10 122.031 123.770 -1.739 1
1 23 . 8 1 1 A 11 11 GLU H H 11 8.546 8.780 -0.234 1
1 24 . 8 1 1 A 11 11 GLU HA H 11 4.275 4.409 -0.134 1
1 29 . 8 1 1 A 11 11 GLU C C 11 176.303 177.473 -1.170 1
1 30 . 8 1 1 A 11 11 GLU CA C 11 56.472 55.575 0.897 1
1 31 . 8 1 1 A 11 11 GLU CB C 11 30.303 31.171 -0.868 1
1 33 . 8 1 1 A 11 11 GLU N N 11 122.648 125.644 -2.996 1
1 34 . 8 1 1 A 12 12 ALA H H 12 8.403 8.198 0.205 1
1 35 . 8 1 1 A 12 12 ALA HA H 12 4.288 4.623 -0.335 1
1 39 . 8 1 1 A 12 12 ALA C C 12 178.231 177.955 0.276 1
1 40 . 8 1 1 A 12 12 ALA CA C 12 52.759 51.397 1.362 1
1 41 . 8 1 1 A 12 12 ALA CB C 12 19.237 18.979 0.258 1
1 42 . 8 1 1 A 12 12 ALA N N 12 125.516 125.879 -0.363 1
1 43 . 8 1 1 A 13 13 GLY H H 13 8.490 8.401 0.089 1
1 44 . 8 1 1 A 13 13 GLY HA2 H 13 3.994 3.817 0.177 1
1 45 . 8 1 1 A 13 13 GLY HA3 H 13 3.890 3.819 0.071 1
1 46 . 8 1 1 A 13 13 GLY C C 13 174.176 174.179 -0.003 1
1 47 . 8 1 1 A 13 13 GLY CA C 13 45.094 47.293 -2.199 1
1 48 . 8 1 1 A 13 13 GLY N N 13 108.839 107.295 1.544 1
1 49 . 8 1 1 A 14 14 ALA H H 14 8.172 8.357 -0.185 1
1 50 . 8 1 1 A 14 14 ALA HA H 14 4.246 4.366 -0.120 1
1 54 . 8 1 1 A 14 14 ALA C C 14 178.304 178.448 -0.144 1
1 55 . 8 1 1 A 14 14 ALA CA C 14 52.988 51.611 1.377 1
1 56 . 8 1 1 A 14 14 ALA CB C 14 19.228 18.880 0.348 1
1 57 . 8 1 1 A 14 14 ALA N N 14 123.459 128.783 -5.324 1
1 58 . 8 1 1 A 15 15 GLY H H 15 8.329 8.772 -0.443 1
1 59 . 8 1 1 A 15 15 GLY HA2 H 15 3.578 3.804 -0.226 1
1 60 . 8 1 1 A 15 15 GLY HA3 H 15 3.578 3.822 -0.244 1
1 61 . 8 1 1 A 15 15 GLY C C 15 173.577 173.391 0.186 1
1 62 . 8 1 1 A 15 15 GLY CA C 15 45.128 46.309 -1.181 1
1 63 . 8 1 1 A 15 15 GLY N N 15 107.276 111.657 -4.381 1
1 64 . 8 1 1 A 16 16 ASP H H 16 7.898 8.130 -0.232 1
1 65 . 8 1 1 A 16 16 ASP HA H 16 4.547 4.845 -0.298 1
1 68 . 8 1 1 A 16 16 ASP C C 16 174.898 174.118 0.780 1
1 69 . 8 1 1 A 16 16 ASP CA C 16 54.344 52.647 1.697 1
1 70 . 8 1 1 A 16 16 ASP CB C 16 41.534 40.964 0.570 1
1 71 . 8 1 1 A 16 16 ASP N N 16 118.642 122.035 -3.393 1
1 72 . 8 1 1 A 17 17 LEU H H 17 7.822 7.790 0.032 1
1 73 . 8 1 1 A 17 17 LEU HA H 17 4.446 5.001 -0.555 1
1 83 . 8 1 1 A 17 17 LEU C C 17 175.902 175.845 0.057 1
1 84 . 8 1 1 A 17 17 LEU CA C 17 53.128 52.916 0.212 1
1 85 . 8 1 1 A 17 17 LEU CB C 17 44.656 45.150 -0.494 1
1 89 . 8 1 1 A 17 17 LEU N N 17 119.654 122.919 -3.265 1
1 90 . 8 1 1 A 18 18 CYS H H 18 8.080 8.392 -0.312 1
1 91 . 8 1 1 A 18 18 CYS HA H 18 4.248 4.396 -0.148 1
1 94 . 8 1 1 A 18 18 CYS C C 18 177.466 175.144 2.322 1
1 95 . 8 1 1 A 18 18 CYS CA C 18 58.398 59.349 -0.951 1
1 96 . 8 1 1 A 18 18 CYS CB C 18 31.990 28.218 3.772 1
1 97 . 8 1 1 A 18 18 CYS N N 18 123.013 124.253 -1.240 1
1 98 . 8 1 1 A 19 19 ALA H H 19 9.211 8.570 0.641 1
1 99 . 8 1 1 A 19 19 ALA HA H 19 4.172 4.071 0.101 1
1 103 . 8 1 1 A 19 19 ALA C C 19 177.724 179.773 -2.049 1
1 104 . 8 1 1 A 19 19 ALA CA C 19 54.327 53.813 0.514 1
1 105 . 8 1 1 A 19 19 ALA CB C 19 18.662 19.144 -0.482 1
1 106 . 8 1 1 A 19 19 ALA N N 19 132.258 127.998 4.260 1
1 107 . 8 1 1 A 20 20 LEU H H 20 8.911 7.778 1.133 1
1 108 . 8 1 1 A 20 20 LEU HA H 20 4.736 3.952 0.784 1
1 118 . 8 1 1 A 20 20 LEU C C 20 177.779 178.972 -1.193 1
1 119 . 8 1 1 A 20 20 LEU CA C 20 56.935 58.400 -1.465 1
1 120 . 8 1 1 A 20 20 LEU CB C 20 43.750 41.992 1.758 1
1 124 . 8 1 1 A 20 20 LEU N N 20 119.770 118.842 0.928 1
1 125 . 8 1 1 A 21 21 CYS H H 21 8.159 7.739 0.420 1
1 126 . 8 1 1 A 21 21 CYS HA H 21 4.962 4.420 0.542 1
1 129 . 8 1 1 A 21 21 CYS C C 21 176.947 175.590 1.357 1
1 130 . 8 1 1 A 21 21 CYS CA C 21 59.137 60.118 -0.981 1
1 131 . 8 1 1 A 21 21 CYS CB C 21 31.728 28.723 3.005 1
1 132 . 8 1 1 A 21 21 CYS N N 21 116.713 114.707 2.006 1
1 133 . 8 1 1 A 22 22 GLY H H 22 8.088 8.182 -0.094 1
1 134 . 8 1 1 A 22 22 GLY HA2 H 22 4.160 3.961 0.199 1
1 135 . 8 1 1 A 22 22 GLY HA3 H 22 3.865 3.988 -0.123 1
1 136 . 8 1 1 A 22 22 GLY C C 22 173.190 174.190 -1.000 1
1 137 . 8 1 1 A 22 22 GLY CA C 22 46.556 45.532 1.024 1
1 138 . 8 1 1 A 22 22 GLY N N 22 112.000 110.100 1.900 1
1 139 . 8 1 1 A 23 23 GLU H H 23 8.378 8.066 0.312 1
1 140 . 8 1 1 A 23 23 GLU HA H 23 4.712 4.779 -0.067 1
1 145 . 8 1 1 A 23 23 GLU C C 23 176.434 175.764 0.670 1
1 146 . 8 1 1 A 23 23 GLU CA C 23 55.014 54.731 0.283 1
1 147 . 8 1 1 A 23 23 GLU CB C 23 31.557 31.827 -0.270 1
1 149 . 8 1 1 A 23 23 GLU N N 23 118.877 119.333 -0.456 1
1 150 . 8 1 1 A 24 24 HIS H H 24 8.666 8.778 -0.112 1
1 151 . 8 1 1 A 24 24 HIS HA H 24 4.333 4.511 -0.178 1
1 156 . 8 1 1 A 24 24 HIS C C 24 175.281 174.342 0.939 1
1 157 . 8 1 1 A 24 24 HIS CA C 24 58.186 57.886 0.300 1
1 158 . 8 1 1 A 24 24 HIS CB C 24 30.099 30.672 -0.573 1
1 161 . 8 1 1 A 24 24 HIS N N 24 118.732 121.960 -3.228 1
1 162 . 8 1 1 A 25 25 LEU H H 25 7.928 7.738 0.190 1
1 163 . 8 1 1 A 25 25 LEU HA H 25 4.174 5.225 -1.051 1
1 173 . 8 1 1 A 25 25 LEU C C 25 175.186 175.499 -0.313 1
1 174 . 8 1 1 A 25 25 LEU CA C 25 53.992 52.932 1.060 1
1 175 . 8 1 1 A 25 25 LEU CB C 25 43.742 45.349 -1.607 1
1 179 . 8 1 1 A 25 25 LEU N N 25 125.590 126.165 -0.575 1
1 180 . 8 1 1 A 26 26 TYR H H 26 8.768 8.739 0.029 1
1 181 . 8 1 1 A 26 26 TYR HA H 26 4.651 5.017 -0.366 1
1 188 . 8 1 1 A 26 26 TYR C C 26 177.267 175.441 1.826 1
1 189 . 8 1 1 A 26 26 TYR CA C 26 57.270 56.488 0.782 1
1 190 . 8 1 1 A 26 26 TYR CB C 26 38.210 41.229 -3.019 1
1 195 . 8 1 1 A 26 26 TYR N N 26 123.119 121.424 1.695 1
1 196 . 8 1 1 A 27 27 VAL H H 27 8.086 7.837 0.249 1
1 197 . 8 1 1 A 27 27 VAL HA H 27 3.809 3.523 0.286 1
1 205 . 8 1 1 A 27 27 VAL C C 27 176.958 177.074 -0.116 1
1 206 . 8 1 1 A 27 27 VAL CA C 27 64.551 66.541 -1.990 1
1 207 . 8 1 1 A 27 27 VAL CB C 27 31.788 31.694 0.094 1
1 210 . 8 1 1 A 27 27 VAL N N 27 121.055 123.106 -2.051 1
1 211 . 8 1 1 A 28 28 LEU H H 28 7.665 8.123 -0.458 1
1 212 . 8 1 1 A 28 28 LEU HA H 28 4.285 4.443 -0.158 1
1 222 . 8 1 1 A 28 28 LEU C C 28 177.710 177.302 0.408 1
1 223 . 8 1 1 A 28 28 LEU CA C 28 56.297 54.781 1.516 1
1 224 . 8 1 1 A 28 28 LEU CB C 28 41.998 42.030 -0.032 1
1 228 . 8 1 1 A 28 28 LEU N N 28 119.062 118.549 0.513 1
1 229 . 8 1 1 A 29 29 GLU H H 29 7.961 8.130 -0.169 1
1 230 . 8 1 1 A 29 29 GLU HA H 29 4.479 4.610 -0.131 1
1 235 . 8 1 1 A 29 29 GLU C C 29 175.755 176.418 -0.663 1
1 236 . 8 1 1 A 29 29 GLU CA C 29 56.248 57.377 -1.129 1
1 237 . 8 1 1 A 29 29 GLU CB C 29 30.550 32.538 -1.988 1
1 239 . 8 1 1 A 29 29 GLU N N 29 117.067 117.626 -0.559 1
1 240 . 8 1 1 A 30 30 ARG H H 30 7.724 7.431 0.293 1
1 241 . 8 1 1 A 30 30 ARG HA H 30 4.688 4.325 0.363 1
1 248 . 8 1 1 A 30 30 ARG C C 30 174.546 175.921 -1.375 1
1 249 . 8 1 1 A 30 30 ARG CA C 30 55.948 56.401 -0.453 1
1 250 . 8 1 1 A 30 30 ARG CB C 30 33.034 30.513 2.521 1
1 253 . 8 1 1 A 30 30 ARG N N 30 120.305 118.485 1.820 1
1 254 . 8 1 1 A 31 31 LEU H H 31 8.970 8.766 0.204 1
1 255 . 8 1 1 A 31 31 LEU HA H 31 4.635 4.811 -0.176 1
1 265 . 8 1 1 A 31 31 LEU C C 31 174.536 175.482 -0.946 1
1 266 . 8 1 1 A 31 31 LEU CA C 31 54.168 53.857 0.311 1
1 267 . 8 1 1 A 31 31 LEU CB C 31 45.021 42.191 2.830 1
1 271 . 8 1 1 A 31 31 LEU N N 31 124.553 124.245 0.308 1
1 272 . 8 1 1 A 32 32 CYS H H 32 8.558 8.745 -0.187 1
1 273 . 8 1 1 A 32 32 CYS HA H 32 4.954 4.505 0.449 1
1 276 . 8 1 1 A 32 32 CYS C C 32 174.418 174.402 0.016 1
1 277 . 8 1 1 A 32 32 CYS CA C 32 56.874 58.741 -1.867 1
1 278 . 8 1 1 A 32 32 CYS CB C 32 28.054 26.925 1.129 1
1 279 . 8 1 1 A 32 32 CYS N N 32 124.126 124.469 -0.343 1
1 280 . 8 1 1 A 33 33 VAL H H 33 8.893 9.061 -0.168 1
1 281 . 8 1 1 A 33 33 VAL HA H 33 4.103 4.475 -0.372 1
1 289 . 8 1 1 A 33 33 VAL C C 33 175.525 175.891 -0.366 1
1 290 . 8 1 1 A 33 33 VAL CA C 33 61.551 61.184 0.367 1
1 291 . 8 1 1 A 33 33 VAL CB C 33 34.027 34.276 -0.249 1
1 294 . 8 1 1 A 33 33 VAL N N 33 129.037 124.718 4.319 1
1 295 . 8 1 1 A 34 34 ASN HA H 34 4.389 4.433 -0.044 1
1 300 . 8 1 1 A 34 34 ASN C C 34 174.946 175.258 -0.312 1
1 301 . 8 1 1 A 34 34 ASN CA C 34 53.922 54.545 -0.623 1
1 302 . 8 1 1 A 34 34 ASN CB C 34 37.332 37.539 -0.207 1
1 304 . 8 1 1 A 35 35 GLY H H 35 7.896 8.460 -0.564 1
1 305 . 8 1 1 A 35 35 GLY HA2 H 35 3.891 3.564 0.327 1
1 306 . 8 1 1 A 35 35 GLY HA3 H 35 3.180 3.608 -0.428 1
1 307 . 8 1 1 A 35 35 GLY C C 35 172.892 173.260 -0.368 1
1 308 . 8 1 1 A 35 35 GLY CA C 35 45.290 45.704 -0.414 1
1 309 . 8 1 1 A 35 35 GLY N N 35 102.630 103.552 -0.922 1
1 310 . 8 1 1 A 36 36 HIS H H 36 7.694 7.987 -0.293 1
1 311 . 8 1 1 A 36 36 HIS HA H 36 4.433 4.755 -0.322 1
1 315 . 8 1 1 A 36 36 HIS C C 36 172.910 173.155 -0.245 1
1 316 . 8 1 1 A 36 36 HIS CA C 36 54.433 54.214 0.219 1
1 317 . 8 1 1 A 36 36 HIS CB C 36 32.464 33.696 -1.232 1
1 319 . 8 1 1 A 36 36 HIS N N 36 119.651 116.782 2.869 1
1 320 . 8 1 1 A 37 37 PHE H H 37 8.502 8.230 0.272 1
1 321 . 8 1 1 A 37 37 PHE HA H 37 5.314 5.504 -0.190 1
1 329 . 8 1 1 A 37 37 PHE C C 37 174.239 174.449 -0.210 1
1 330 . 8 1 1 A 37 37 PHE CA C 37 56.424 55.852 0.572 1
1 331 . 8 1 1 A 37 37 PHE CB C 37 41.572 41.447 0.125 1
1 337 . 8 1 1 A 37 37 PHE N N 37 119.583 118.181 1.402 1
1 338 . 8 1 1 A 38 38 PHE H H 38 8.664 9.177 -0.513 1
1 339 . 8 1 1 A 38 38 PHE HA H 38 5.866 4.875 0.991 1
1 347 . 8 1 1 A 38 38 PHE C C 38 177.496 175.034 2.462 1
1 348 . 8 1 1 A 38 38 PHE CA C 38 55.296 56.434 -1.138 1
1 349 . 8 1 1 A 38 38 PHE CB C 38 44.392 43.548 0.844 1
1 355 . 8 1 1 A 38 38 PHE N N 38 116.719 120.802 -4.083 1
1 356 . 8 1 1 A 39 39 HIS H H 39 8.854 8.755 0.099 1
1 357 . 8 1 1 A 39 39 HIS HA H 39 4.675 4.780 -0.105 1
1 362 . 8 1 1 A 39 39 HIS C C 39 178.476 176.502 1.974 1
1 363 . 8 1 1 A 39 39 HIS CA C 39 59.297 56.599 2.698 1
1 364 . 8 1 1 A 39 39 HIS CB C 39 30.980 30.279 0.701 1
1 367 . 8 1 1 A 39 39 HIS N N 39 120.015 119.494 0.521 1
1 368 . 8 1 1 A 40 40 ARG H H 40 9.256 9.082 0.174 1
1 369 . 8 1 1 A 40 40 ARG HA H 40 3.965 4.025 -0.060 1
1 376 . 8 1 1 A 40 40 ARG C C 40 179.459 177.983 1.476 1
1 377 . 8 1 1 A 40 40 ARG CA C 40 60.547 59.375 1.172 1
1 378 . 8 1 1 A 40 40 ARG CB C 40 29.598 29.970 -0.372 1
1 381 . 8 1 1 A 40 40 ARG N N 40 126.206 124.415 1.791 1
1 382 . 8 1 1 A 41 41 SER H H 41 8.643 8.002 0.641 1
1 383 . 8 1 1 A 41 41 SER HA H 41 4.221 4.422 -0.201 1
1 386 . 8 1 1 A 41 41 SER C C 41 175.499 177.050 -1.551 1
1 387 . 8 1 1 A 41 41 SER CA C 41 60.160 61.047 -0.887 1
1 388 . 8 1 1 A 41 41 SER CB C 41 62.847 63.329 -0.482 1
1 389 . 8 1 1 A 41 41 SER N N 41 109.970 114.904 -4.934 1
1 390 . 8 1 1 A 42 42 CYS H H 42 7.427 8.440 -1.013 1
1 391 . 8 1 1 A 42 42 CYS HA H 42 4.306 4.109 0.197 1
1 394 . 8 1 1 A 42 42 CYS C C 42 174.200 176.318 -2.118 1
1 395 . 8 1 1 A 42 42 CYS CA C 42 61.569 63.218 -1.649 1
1 396 . 8 1 1 A 42 42 CYS CB C 42 30.945 27.638 3.307 1
1 397 . 8 1 1 A 42 42 CYS N N 42 118.020 119.642 -1.622 1
1 398 . 8 1 1 A 43 43 PHE H H 43 7.257 7.754 -0.497 1
1 399 . 8 1 1 A 43 43 PHE HA H 43 4.122 4.200 -0.078 1
1 407 . 8 1 1 A 43 43 PHE C C 43 172.037 174.517 -2.480 1
1 408 . 8 1 1 A 43 43 PHE CA C 43 57.112 58.408 -1.296 1
1 409 . 8 1 1 A 43 43 PHE CB C 43 37.448 38.993 -1.545 1
1 415 . 8 1 1 A 43 43 PHE N N 43 122.965 121.287 1.678 1
1 416 . 8 1 1 A 44 44 ARG H H 44 7.110 8.326 -1.216 1
1 417 . 8 1 1 A 44 44 ARG HA H 44 4.821 4.719 0.102 1
1 424 . 8 1 1 A 44 44 ARG C C 44 174.097 174.932 -0.835 1
1 425 . 8 1 1 A 44 44 ARG CA C 44 53.323 53.483 -0.160 1
1 426 . 8 1 1 A 44 44 ARG CB C 44 34.911 34.069 0.842 1
1 429 . 8 1 1 A 44 44 ARG N N 44 123.199 126.059 -2.860 1
1 430 . 8 1 1 A 45 45 CYS H H 45 8.580 8.430 0.150 1
1 431 . 8 1 1 A 45 45 CYS HA H 45 4.055 4.480 -0.425 1
1 434 . 8 1 1 A 45 45 CYS C C 45 177.493 175.067 2.426 1
1 435 . 8 1 1 A 45 45 CYS CA C 45 59.878 59.550 0.328 1
1 436 . 8 1 1 A 45 45 CYS CB C 45 32.052 28.907 3.145 1
1 437 . 8 1 1 A 45 45 CYS N N 45 121.527 120.993 0.534 1
1 438 . 8 1 1 A 46 46 HIS H H 46 9.187 8.609 0.578 1
1 439 . 8 1 1 A 46 46 HIS HA H 46 4.184 4.539 -0.355 1
1 443 . 8 1 1 A 46 46 HIS C C 46 175.000 176.346 -1.346 1
1 444 . 8 1 1 A 46 46 HIS CA C 46 59.137 57.163 1.974 1
1 445 . 8 1 1 A 46 46 HIS CB C 46 29.560 30.544 -0.984 1
1 447 . 8 1 1 A 46 46 HIS N N 46 130.205 124.752 5.453 1
1 448 . 8 1 1 A 47 47 THR H H 47 8.848 7.553 1.295 1
1 449 . 8 1 1 A 47 47 THR HA H 47 4.134 4.434 -0.300 1
1 454 . 8 1 1 A 47 47 THR C C 47 174.926 175.935 -1.009 1
1 455 . 8 1 1 A 47 47 THR CA C 47 65.535 63.029 2.506 1
1 456 . 8 1 1 A 47 47 THR CB C 47 70.010 70.556 -0.546 1
1 458 . 8 1 1 A 47 47 THR N N 47 116.066 111.629 4.437 1
1 459 . 8 1 1 A 48 48 CYS H H 48 8.181 8.080 0.101 1
1 460 . 8 1 1 A 48 48 CYS HA H 48 4.821 4.593 0.228 1
1 463 . 8 1 1 A 48 48 CYS C C 48 176.004 175.192 0.812 1
1 464 . 8 1 1 A 48 48 CYS CA C 48 59.050 58.103 0.947 1
1 465 . 8 1 1 A 48 48 CYS CB C 48 32.944 29.508 3.436 1
1 466 . 8 1 1 A 48 48 CYS N N 48 119.626 116.582 3.044 1
1 467 . 8 1 1 A 49 49 GLU H H 49 8.081 8.147 -0.066 1
1 468 . 8 1 1 A 49 49 GLU HA H 49 3.865 4.331 -0.466 1
1 473 . 8 1 1 A 49 49 GLU C C 49 174.137 175.334 -1.197 1
1 474 . 8 1 1 A 49 49 GLU CA C 49 58.732 57.194 1.538 1
1 475 . 8 1 1 A 49 49 GLU CB C 49 27.345 27.311 0.034 1
1 477 . 8 1 1 A 49 49 GLU N N 49 116.307 120.063 -3.756 1
1 478 . 8 1 1 A 50 50 ALA H H 50 8.498 7.820 0.678 1
1 479 . 8 1 1 A 50 50 ALA HA H 50 4.388 4.521 -0.133 1
1 483 . 8 1 1 A 50 50 ALA C C 50 178.362 176.797 1.565 1
1 484 . 8 1 1 A 50 50 ALA CA C 50 53.111 50.693 2.418 1
1 485 . 8 1 1 A 50 50 ALA CB C 50 20.334 20.214 0.120 1
1 486 . 8 1 1 A 50 50 ALA N N 50 124.211 123.053 1.158 1
1 487 . 8 1 1 A 51 51 THR H H 51 8.470 8.406 0.064 1
1 488 . 8 1 1 A 51 51 THR HA H 51 3.811 3.867 -0.056 1
1 493 . 8 1 1 A 51 51 THR C C 51 173.931 173.823 0.108 1
1 494 . 8 1 1 A 51 51 THR CA C 51 64.345 63.653 0.692 1
1 495 . 8 1 1 A 51 51 THR CB C 51 69.428 68.258 1.170 1
1 497 . 8 1 1 A 51 51 THR N N 51 117.025 117.258 -0.233 1
1 498 . 8 1 1 A 52 52 LEU H H 52 7.421 8.186 -0.765 1
1 499 . 8 1 1 A 52 52 LEU HA H 52 4.439 4.299 0.140 1
1 509 . 8 1 1 A 52 52 LEU C C 52 175.390 175.989 -0.599 1
1 510 . 8 1 1 A 52 52 LEU CA C 52 53.728 54.493 -0.765 1
1 511 . 8 1 1 A 52 52 LEU CB C 52 42.020 40.316 1.704 1
1 515 . 8 1 1 A 52 52 LEU N N 52 125.339 127.710 -2.371 1
1 516 . 8 1 1 A 53 53 TRP H H 53 8.089 8.531 -0.442 1
1 517 . 8 1 1 A 53 53 TRP HA H 53 5.148 4.745 0.403 1
1 526 . 8 1 1 A 53 53 TRP C C 53 173.534 176.851 -3.317 1
1 527 . 8 1 1 A 53 53 TRP CA C 53 54.345 56.607 -2.262 1
1 528 . 8 1 1 A 53 53 TRP CB C 53 30.134 29.299 0.835 1
1 534 . 8 1 1 A 53 53 TRP N N 53 120.731 126.542 -5.811 1
1 536 . 8 1 1 A 54 54 PRO HA H 54 4.553 4.671 -0.118 1
1 543 . 8 1 1 A 54 54 PRO CA C 54 64.882 64.177 0.705 1
1 544 . 8 1 1 A 54 54 PRO CB C 54 31.969 31.601 0.368 1
1 547 . 8 1 1 A 55 55 GLY HA2 H 55 4.330 4.181 0.149 1
1 548 . 8 1 1 A 55 55 GLY HA3 H 55 3.795 4.213 -0.418 1
1 549 . 8 1 1 A 55 55 GLY C C 55 175.195 174.028 1.167 1
1 550 . 8 1 1 A 55 55 GLY CA C 55 45.586 45.811 -0.225 1
1 551 . 8 1 1 A 56 56 GLY H H 56 8.653 7.475 1.178 1
1 552 . 8 1 1 A 56 56 GLY HA2 H 56 4.567 4.272 0.295 1
1 553 . 8 1 1 A 56 56 GLY HA3 H 56 3.380 4.333 -0.953 1
1 554 . 8 1 1 A 56 56 GLY C C 56 174.377 172.966 1.411 1
1 555 . 8 1 1 A 56 56 GLY CA C 56 45.237 45.863 -0.626 1
1 556 . 8 1 1 A 56 56 GLY N N 56 107.803 107.316 0.487 1
1 557 . 8 1 1 A 57 57 TYR H H 57 7.269 8.043 -0.774 1
1 558 . 8 1 1 A 57 57 TYR HA H 57 5.600 5.277 0.323 1
1 565 . 8 1 1 A 57 57 TYR C C 57 173.258 173.665 -0.407 1
1 566 . 8 1 1 A 57 57 TYR CA C 57 55.666 56.385 -0.719 1
1 567 . 8 1 1 A 57 57 TYR CB C 57 44.451 40.906 3.545 1
1 572 . 8 1 1 A 57 57 TYR N N 57 116.315 115.922 0.393 1
1 573 . 8 1 1 A 58 58 GLU H H 58 8.948 8.841 0.107 1
1 574 . 8 1 1 A 58 58 GLU HA H 58 4.546 4.703 -0.157 1
1 579 . 8 1 1 A 58 58 GLU C C 58 174.242 174.366 -0.124 1
1 580 . 8 1 1 A 58 58 GLU CA C 58 55.790 55.416 0.374 1
1 581 . 8 1 1 A 58 58 GLU CB C 58 35.177 33.998 1.179 1
1 583 . 8 1 1 A 58 58 GLU N N 58 117.931 118.954 -1.023 1
1 584 . 8 1 1 A 59 59 GLN H H 59 9.205 8.641 0.564 1
1 585 . 8 1 1 A 59 59 GLN HA H 59 4.760 4.817 -0.057 1
1 592 . 8 1 1 A 59 59 GLN C C 59 175.807 175.521 0.286 1
1 593 . 8 1 1 A 59 59 GLN CA C 59 53.904 54.175 -0.271 1
1 594 . 8 1 1 A 59 59 GLN CB C 59 29.530 29.359 0.171 1
1 596 . 8 1 1 A 59 59 GLN N N 59 123.928 123.192 0.736 1
1 598 . 8 1 1 A 60 60 HIS H H 60 9.330 8.606 0.724 1
1 599 . 8 1 1 A 60 60 HIS HA H 60 4.945 4.570 0.375 1
1 604 . 8 1 1 A 60 60 HIS C C 60 175.428 175.553 -0.125 1
1 605 . 8 1 1 A 60 60 HIS CA C 60 54.556 55.118 -0.562 1
1 606 . 8 1 1 A 60 60 HIS CB C 60 32.329 31.206 1.123 1
1 609 . 8 1 1 A 60 60 HIS N N 60 131.634 126.875 4.759 1
1 610 . 8 1 1 A 61 61 PRO HA H 61 4.269 4.114 0.155 1
1 617 . 8 1 1 A 61 61 PRO CA C 61 64.043 65.194 -1.151 1
1 618 . 8 1 1 A 61 61 PRO CB C 61 31.752 31.817 -0.065 1
1 621 . 8 1 1 A 62 62 GLY H H 62 7.210 8.260 -1.050 1
1 622 . 8 1 1 A 62 62 GLY HA2 H 62 3.928 3.771 0.157 1
1 623 . 8 1 1 A 62 62 GLY HA3 H 62 3.666 3.919 -0.253 1
1 624 . 8 1 1 A 62 62 GLY CA C 62 46.610 47.200 -0.590 1
1 625 . 8 1 1 A 62 62 GLY N N 62 105.065 106.290 -1.225 1
1 626 . 8 1 1 A 63 63 ASP H H 63 8.237 8.010 0.227 1
1 627 . 8 1 1 A 63 63 ASP HA H 63 4.648 4.662 -0.014 1
1 630 . 8 1 1 A 63 63 ASP C C 63 177.303 176.161 1.142 1
1 631 . 8 1 1 A 63 63 ASP CA C 63 53.182 55.103 -1.921 1
1 632 . 8 1 1 A 63 63 ASP CB C 63 42.216 42.013 0.203 1
1 633 . 8 1 1 A 63 63 ASP N N 63 118.685 120.460 -1.775 1
1 634 . 8 1 1 A 64 64 GLY H H 64 8.315 7.729 0.586 1
1 635 . 8 1 1 A 64 64 GLY HA2 H 64 3.900 3.949 -0.049 1
1 636 . 8 1 1 A 64 64 GLY HA3 H 64 3.635 3.970 -0.335 1
1 637 . 8 1 1 A 64 64 GLY C C 64 174.457 173.839 0.618 1
1 638 . 8 1 1 A 64 64 GLY CA C 64 46.004 45.133 0.871 1
1 639 . 8 1 1 A 64 64 GLY N N 64 109.742 106.291 3.451 1
1 640 . 8 1 1 A 65 65 HIS H H 65 9.101 7.934 1.167 1
1 641 . 8 1 1 A 65 65 HIS HA H 65 4.675 4.944 -0.269 1
1 645 . 8 1 1 A 65 65 HIS C C 65 173.603 173.802 -0.199 1
1 646 . 8 1 1 A 65 65 HIS CA C 65 55.208 55.002 0.206 1
1 647 . 8 1 1 A 65 65 HIS CB C 65 30.321 33.878 -3.557 1
1 649 . 8 1 1 A 65 65 HIS N N 65 121.111 117.410 3.701 1
1 650 . 8 1 1 A 66 66 PHE H H 66 8.841 8.776 0.065 1
1 651 . 8 1 1 A 66 66 PHE HA H 66 5.005 5.417 -0.412 1
1 659 . 8 1 1 A 66 66 PHE C C 66 174.272 174.235 0.037 1
1 660 . 8 1 1 A 66 66 PHE CA C 66 57.904 56.271 1.633 1
1 661 . 8 1 1 A 66 66 PHE CB C 66 40.990 41.205 -0.215 1
1 667 . 8 1 1 A 66 66 PHE N N 66 118.465 117.455 1.010 1
1 668 . 8 1 1 A 67 67 TYR H H 67 8.714 9.147 -0.433 1
1 669 . 8 1 1 A 67 67 TYR HA H 67 5.676 5.150 0.526 1
1 676 . 8 1 1 A 67 67 TYR C C 67 176.345 175.770 0.575 1
1 677 . 8 1 1 A 67 67 TYR CA C 67 56.829 56.497 0.332 1
1 678 . 8 1 1 A 67 67 TYR CB C 67 43.668 43.173 0.495 1
1 683 . 8 1 1 A 67 67 TYR N N 67 117.828 121.585 -3.757 1
1 684 . 8 1 1 A 68 68 CYS H H 68 9.524 8.603 0.921 1
1 685 . 8 1 1 A 68 68 CYS HA H 68 5.152 4.867 0.285 1
1 688 . 8 1 1 A 68 68 CYS C C 68 176.563 176.221 0.342 1
1 689 . 8 1 1 A 68 68 CYS CA C 68 58.468 58.325 0.143 1
1 690 . 8 1 1 A 68 68 CYS CB C 68 29.373 29.632 -0.259 1
1 691 . 8 1 1 A 68 68 CYS N N 68 120.631 120.309 0.322 1
1 692 . 8 1 1 A 69 69 LEU H H 69 7.630 8.735 -1.105 1
1 693 . 8 1 1 A 69 69 LEU HA H 69 3.952 4.372 -0.420 1
1 703 . 8 1 1 A 69 69 LEU C C 69 179.373 176.861 2.512 1
1 704 . 8 1 1 A 69 69 LEU CA C 69 58.080 55.452 2.628 1
1 705 . 8 1 1 A 69 69 LEU CB C 69 40.125 41.202 -1.077 1
1 709 . 8 1 1 A 69 69 LEU N N 69 117.279 122.788 -5.509 1
1 710 . 8 1 1 A 70 70 GLN H H 70 8.159 8.242 -0.083 1
1 711 . 8 1 1 A 70 70 GLN HA H 70 4.106 4.669 -0.563 1
1 718 . 8 1 1 A 70 70 GLN C C 70 177.094 176.989 0.105 1
1 719 . 8 1 1 A 70 70 GLN CA C 70 57.781 56.513 1.268 1
1 720 . 8 1 1 A 70 70 GLN CB C 70 28.537 31.233 -2.696 1
1 722 . 8 1 1 A 70 70 GLN N N 70 115.749 119.354 -3.605 1
1 724 . 8 1 1 A 71 71 HIS H H 71 7.651 7.651 0.000 1
1 725 . 8 1 1 A 71 71 HIS HA H 71 4.917 4.783 0.134 1
1 730 . 8 1 1 A 71 71 HIS C C 71 173.431 174.967 -1.536 1
1 731 . 8 1 1 A 71 71 HIS CA C 71 56.142 56.193 -0.051 1
1 732 . 8 1 1 A 71 71 HIS CB C 71 33.010 31.588 1.422 1
1 735 . 8 1 1 A 71 71 HIS N N 71 116.846 115.114 1.732 1
1 736 . 8 1 1 A 72 72 LEU H H 72 7.154 7.543 -0.389 1
1 737 . 8 1 1 A 72 72 LEU HA H 72 3.772 4.197 -0.425 1
1 747 . 8 1 1 A 72 72 LEU C C 72 174.748 175.089 -0.341 1
1 748 . 8 1 1 A 72 72 LEU CA C 72 53.499 53.274 0.225 1
1 749 . 8 1 1 A 72 72 LEU CB C 72 42.729 42.943 -0.214 1
1 753 . 8 1 1 A 72 72 LEU N N 72 124.029 121.894 2.135 1
1 754 . 8 1 1 A 73 73 PRO HA H 73 4.145 4.477 -0.332 1
1 761 . 8 1 1 A 73 73 PRO C C 73 175.785 175.308 0.477 1
1 762 . 8 1 1 A 73 73 PRO CA C 73 63.050 62.078 0.972 1
1 763 . 8 1 1 A 73 73 PRO CB C 73 32.055 32.432 -0.377 1
1 766 . 8 1 1 A 74 74 GLN H H 74 8.359 8.299 0.060 1
1 767 . 8 1 1 A 74 74 GLN HA H 74 4.386 5.180 -0.794 1
1 774 . 8 1 1 A 74 74 GLN C C 74 176.731 175.412 1.319 1
1 775 . 8 1 1 A 74 74 GLN CA C 74 55.526 54.038 1.488 1
1 776 . 8 1 1 A 74 74 GLN CB C 74 29.817 32.899 -3.082 1
1 778 . 8 1 1 A 74 74 GLN N N 74 120.467 117.946 2.521 1
1 780 . 8 1 1 A 75 75 THR H H 75 8.368 8.472 -0.104 1
1 781 . 8 1 1 A 75 75 THR HA H 75 4.390 4.563 -0.173 1
1 786 . 8 1 1 A 75 75 THR C C 75 174.257 175.057 -0.800 1
1 787 . 8 1 1 A 75 75 THR CA C 75 61.993 61.023 0.970 1
1 788 . 8 1 1 A 75 75 THR CB C 75 69.991 68.694 1.297 1
1 790 . 8 1 1 A 75 75 THR N N 75 116.318 114.730 1.588 1
1 791 . 8 1 1 A 76 76 ASP H H 76 8.528 8.038 0.490 1
1 792 . 8 1 1 A 76 76 ASP HA H 76 4.700 4.326 0.374 1
1 795 . 8 1 1 A 76 76 ASP C C 76 176.200 175.676 0.524 1
1 796 . 8 1 1 A 76 76 ASP CA C 76 54.363 57.249 -2.886 1
1 797 . 8 1 1 A 76 76 ASP CB C 76 41.362 41.041 0.321 1
1 798 . 8 1 1 A 76 76 ASP N N 76 123.204 122.083 1.121 1
1 799 . 8 1 1 A 77 77 SER H H 77 8.346 7.871 0.475 1
1 800 . 8 1 1 A 77 77 SER HA H 77 4.497 4.561 -0.064 1
1 803 . 8 1 1 A 77 77 SER C C 77 174.724 174.575 0.149 1
1 804 . 8 1 1 A 77 77 SER CA C 77 58.451 57.319 1.132 1
1 805 . 8 1 1 A 77 77 SER CB C 77 64.101 65.962 -1.861 1
1 806 . 8 1 1 A 77 77 SER N N 77 116.515 112.239 4.276 1
1 807 . 8 1 1 A 78 78 GLY H H 78 8.330 8.940 -0.610 1
1 808 . 8 1 1 A 78 78 GLY HA2 H 78 4.135 3.891 0.244 1
1 809 . 8 1 1 A 78 78 GLY HA3 H 78 4.135 3.892 0.243 1
1 810 . 8 1 1 A 78 78 GLY C C 78 171.883 175.731 -3.848 1
1 811 . 8 1 1 A 78 78 GLY CA C 78 44.745 46.985 -2.240 1
1 812 . 8 1 1 A 78 78 GLY N N 78 110.837 113.460 -2.623 1
1 813 . 8 1 1 A 79 79 PRO HA H 79 4.501 4.436 0.065 1
1 820 . 8 1 1 A 79 79 PRO C C 79 177.463 176.608 0.855 1
1 821 . 8 1 1 A 79 79 PRO CA C 79 63.332 64.899 -1.567 1
1 822 . 8 1 1 A 79 79 PRO CB C 79 32.229 32.137 0.092 1
1 825 . 8 1 1 A 80 80 SER H H 80 8.531 7.853 0.678 1
1 826 . 8 1 1 A 80 80 SER HA H 80 4.521 4.821 -0.300 1
1 829 . 8 1 1 A 80 80 SER C C 80 174.760 172.697 2.063 1
1 830 . 8 1 1 A 80 80 SER CA C 80 58.398 56.787 1.611 1
1 831 . 8 1 1 A 80 80 SER CB C 80 63.978 63.306 0.672 1
1 832 . 8 1 1 A 80 80 SER N N 80 116.479 112.328 4.151 1
1 833 . 8 1 1 A 81 81 SER H H 81 8.358 8.813 -0.455 1
1 834 . 8 1 1 A 81 81 SER HA H 81 4.530 5.054 -0.524 1
1 837 . 8 1 1 A 81 81 SER C C 81 173.982 175.028 -1.046 1
1 838 . 8 1 1 A 81 81 SER CA C 81 58.416 57.190 1.226 1
1 839 . 8 1 1 A 81 81 SER CB C 81 64.082 64.885 -0.803 1
1 840 . 8 1 1 A 81 81 SER N N 81 117.964 123.355 -5.391 1
1 1 . 9 1 1 A 9 9 HIS HA H 9 4.627 5.017 -0.390 1
1 5 . 9 1 1 A 9 9 HIS C C 9 175.239 174.218 1.021 1
1 6 . 9 1 1 A 9 9 HIS CA C 9 56.347 54.965 1.382 1
1 7 . 9 1 1 A 9 9 HIS CB C 9 30.681 31.852 -1.171 1
1 9 . 9 1 1 A 10 10 GLN H H 10 8.313 8.987 -0.674 1
1 10 . 9 1 1 A 10 10 GLN HA H 10 4.323 5.063 -0.740 1
1 17 . 9 1 1 A 10 10 GLN C C 10 175.703 174.099 1.604 1
1 18 . 9 1 1 A 10 10 GLN CA C 10 55.875 54.747 1.128 1
1 19 . 9 1 1 A 10 10 GLN CB C 10 29.726 31.548 -1.822 1
1 21 . 9 1 1 A 10 10 GLN N N 10 122.031 121.596 0.435 1
1 23 . 9 1 1 A 11 11 GLU H H 11 8.546 8.766 -0.220 1
1 24 . 9 1 1 A 11 11 GLU HA H 11 4.275 4.866 -0.591 1
1 29 . 9 1 1 A 11 11 GLU C C 11 176.303 174.545 1.758 1
1 30 . 9 1 1 A 11 11 GLU CA C 11 56.472 56.516 -0.044 1
1 31 . 9 1 1 A 11 11 GLU CB C 11 30.303 31.633 -1.330 1
1 33 . 9 1 1 A 11 11 GLU N N 11 122.648 125.793 -3.145 1
1 34 . 9 1 1 A 12 12 ALA H H 12 8.403 8.755 -0.352 1
1 35 . 9 1 1 A 12 12 ALA HA H 12 4.288 4.775 -0.487 1
1 39 . 9 1 1 A 12 12 ALA C C 12 178.231 175.835 2.396 1
1 40 . 9 1 1 A 12 12 ALA CA C 12 52.759 51.468 1.291 1
1 41 . 9 1 1 A 12 12 ALA CB C 12 19.237 22.608 -3.371 1
1 42 . 9 1 1 A 12 12 ALA N N 12 125.516 126.906 -1.390 1
1 43 . 9 1 1 A 13 13 GLY H H 13 8.490 8.298 0.192 1
1 44 . 9 1 1 A 13 13 GLY HA2 H 13 3.994 4.207 -0.213 1
1 45 . 9 1 1 A 13 13 GLY HA3 H 13 3.890 4.209 -0.319 1
1 46 . 9 1 1 A 13 13 GLY C C 13 174.176 171.900 2.276 1
1 47 . 9 1 1 A 13 13 GLY CA C 13 45.094 45.474 -0.380 1
1 48 . 9 1 1 A 13 13 GLY N N 13 108.839 105.385 3.454 1
1 49 . 9 1 1 A 14 14 ALA H H 14 8.172 8.100 0.072 1
1 50 . 9 1 1 A 14 14 ALA HA H 14 4.246 5.055 -0.809 1
1 54 . 9 1 1 A 14 14 ALA C C 14 178.304 176.752 1.552 1
1 55 . 9 1 1 A 14 14 ALA CA C 14 52.988 50.767 2.221 1
1 56 . 9 1 1 A 14 14 ALA CB C 14 19.228 20.257 -1.029 1
1 57 . 9 1 1 A 14 14 ALA N N 14 123.459 124.479 -1.020 1
1 58 . 9 1 1 A 15 15 GLY H H 15 8.329 8.918 -0.589 1
1 59 . 9 1 1 A 15 15 GLY HA2 H 15 3.578 3.866 -0.288 1
1 60 . 9 1 1 A 15 15 GLY HA3 H 15 3.578 3.904 -0.326 1
1 61 . 9 1 1 A 15 15 GLY C C 15 173.577 174.673 -1.096 1
1 62 . 9 1 1 A 15 15 GLY CA C 15 45.128 47.124 -1.996 1
1 63 . 9 1 1 A 15 15 GLY N N 15 107.276 111.890 -4.614 1
1 64 . 9 1 1 A 16 16 ASP H H 16 7.898 8.322 -0.424 1
1 65 . 9 1 1 A 16 16 ASP HA H 16 4.547 4.799 -0.252 1
1 68 . 9 1 1 A 16 16 ASP C C 16 174.898 175.429 -0.531 1
1 69 . 9 1 1 A 16 16 ASP CA C 16 54.344 52.926 1.418 1
1 70 . 9 1 1 A 16 16 ASP CB C 16 41.534 40.467 1.067 1
1 71 . 9 1 1 A 16 16 ASP N N 16 118.642 120.790 -2.148 1
1 72 . 9 1 1 A 17 17 LEU H H 17 7.822 7.379 0.443 1
1 73 . 9 1 1 A 17 17 LEU HA H 17 4.446 4.569 -0.123 1
1 83 . 9 1 1 A 17 17 LEU C C 17 175.902 175.709 0.193 1
1 84 . 9 1 1 A 17 17 LEU CA C 17 53.128 52.921 0.207 1
1 85 . 9 1 1 A 17 17 LEU CB C 17 44.656 45.288 -0.632 1
1 89 . 9 1 1 A 17 17 LEU N N 17 119.654 120.135 -0.481 1
1 90 . 9 1 1 A 18 18 CYS H H 18 8.080 8.456 -0.376 1
1 91 . 9 1 1 A 18 18 CYS HA H 18 4.248 4.034 0.214 1
1 94 . 9 1 1 A 18 18 CYS C C 18 177.466 175.666 1.800 1
1 95 . 9 1 1 A 18 18 CYS CA C 18 58.398 59.611 -1.213 1
1 96 . 9 1 1 A 18 18 CYS CB C 18 31.990 28.428 3.562 1
1 97 . 9 1 1 A 18 18 CYS N N 18 123.013 124.600 -1.587 1
1 98 . 9 1 1 A 19 19 ALA H H 19 9.211 8.563 0.648 1
1 99 . 9 1 1 A 19 19 ALA HA H 19 4.172 4.062 0.110 1
1 103 . 9 1 1 A 19 19 ALA C C 19 177.724 179.347 -1.623 1
1 104 . 9 1 1 A 19 19 ALA CA C 19 54.327 53.292 1.035 1
1 105 . 9 1 1 A 19 19 ALA CB C 19 18.662 18.821 -0.159 1
1 106 . 9 1 1 A 19 19 ALA N N 19 132.258 129.271 2.987 1
1 107 . 9 1 1 A 20 20 LEU H H 20 8.911 7.770 1.141 1
1 108 . 9 1 1 A 20 20 LEU HA H 20 4.736 4.094 0.642 1
1 118 . 9 1 1 A 20 20 LEU C C 20 177.779 178.971 -1.192 1
1 119 . 9 1 1 A 20 20 LEU CA C 20 56.935 57.936 -1.001 1
1 120 . 9 1 1 A 20 20 LEU CB C 20 43.750 42.039 1.711 1
1 124 . 9 1 1 A 20 20 LEU N N 20 119.770 119.638 0.132 1
1 125 . 9 1 1 A 21 21 CYS H H 21 8.159 7.375 0.784 1
1 126 . 9 1 1 A 21 21 CYS HA H 21 4.962 4.545 0.417 1
1 129 . 9 1 1 A 21 21 CYS C C 21 176.947 175.620 1.327 1
1 130 . 9 1 1 A 21 21 CYS CA C 21 59.137 59.849 -0.712 1
1 131 . 9 1 1 A 21 21 CYS CB C 21 31.728 29.123 2.605 1
1 132 . 9 1 1 A 21 21 CYS N N 21 116.713 113.351 3.362 1
1 133 . 9 1 1 A 22 22 GLY H H 22 8.088 7.811 0.277 1
1 134 . 9 1 1 A 22 22 GLY HA2 H 22 4.160 3.902 0.258 1
1 135 . 9 1 1 A 22 22 GLY HA3 H 22 3.865 3.933 -0.068 1
1 136 . 9 1 1 A 22 22 GLY C C 22 173.190 174.739 -1.549 1
1 137 . 9 1 1 A 22 22 GLY CA C 22 46.556 45.771 0.785 1
1 138 . 9 1 1 A 22 22 GLY N N 22 112.000 109.437 2.563 1
1 139 . 9 1 1 A 23 23 GLU H H 23 8.378 8.314 0.064 1
1 140 . 9 1 1 A 23 23 GLU HA H 23 4.712 4.492 0.220 1
1 145 . 9 1 1 A 23 23 GLU C C 23 176.434 176.482 -0.048 1
1 146 . 9 1 1 A 23 23 GLU CA C 23 55.014 57.991 -2.977 1
1 147 . 9 1 1 A 23 23 GLU CB C 23 31.557 30.391 1.166 1
1 149 . 9 1 1 A 23 23 GLU N N 23 118.877 117.820 1.057 1
1 150 . 9 1 1 A 24 24 HIS H H 24 8.666 7.705 0.961 1
1 151 . 9 1 1 A 24 24 HIS HA H 24 4.333 4.875 -0.542 1
1 156 . 9 1 1 A 24 24 HIS C C 24 175.281 172.975 2.306 1
1 157 . 9 1 1 A 24 24 HIS CA C 24 58.186 55.864 2.322 1
1 158 . 9 1 1 A 24 24 HIS CB C 24 30.099 31.856 -1.757 1
1 161 . 9 1 1 A 24 24 HIS N N 24 118.732 114.864 3.868 1
1 162 . 9 1 1 A 25 25 LEU H H 25 7.928 8.441 -0.513 1
1 163 . 9 1 1 A 25 25 LEU HA H 25 4.174 4.996 -0.822 1
1 173 . 9 1 1 A 25 25 LEU C C 25 175.186 175.074 0.112 1
1 174 . 9 1 1 A 25 25 LEU CA C 25 53.992 53.699 0.293 1
1 175 . 9 1 1 A 25 25 LEU CB C 25 43.742 46.599 -2.857 1
1 179 . 9 1 1 A 25 25 LEU N N 25 125.590 121.899 3.691 1
1 180 . 9 1 1 A 26 26 TYR H H 26 8.768 8.786 -0.018 1
1 181 . 9 1 1 A 26 26 TYR HA H 26 4.651 4.907 -0.256 1
1 188 . 9 1 1 A 26 26 TYR C C 26 177.267 175.880 1.387 1
1 189 . 9 1 1 A 26 26 TYR CA C 26 57.270 56.270 1.000 1
1 190 . 9 1 1 A 26 26 TYR CB C 26 38.210 40.674 -2.464 1
1 195 . 9 1 1 A 26 26 TYR N N 26 123.119 122.157 0.962 1
1 196 . 9 1 1 A 27 27 VAL H H 27 8.086 7.606 0.480 1
1 197 . 9 1 1 A 27 27 VAL HA H 27 3.809 3.694 0.115 1
1 205 . 9 1 1 A 27 27 VAL C C 27 176.958 176.914 0.044 1
1 206 . 9 1 1 A 27 27 VAL CA C 27 64.551 65.558 -1.007 1
1 207 . 9 1 1 A 27 27 VAL CB C 27 31.788 31.885 -0.097 1
1 210 . 9 1 1 A 27 27 VAL N N 27 121.055 122.519 -1.464 1
1 211 . 9 1 1 A 28 28 LEU H H 28 7.665 7.950 -0.285 1
1 212 . 9 1 1 A 28 28 LEU HA H 28 4.285 4.557 -0.272 1
1 222 . 9 1 1 A 28 28 LEU C C 28 177.710 177.294 0.416 1
1 223 . 9 1 1 A 28 28 LEU CA C 28 56.297 54.598 1.699 1
1 224 . 9 1 1 A 28 28 LEU CB C 28 41.998 41.856 0.142 1
1 228 . 9 1 1 A 28 28 LEU N N 28 119.062 119.679 -0.617 1
1 229 . 9 1 1 A 29 29 GLU H H 29 7.961 8.091 -0.130 1
1 230 . 9 1 1 A 29 29 GLU HA H 29 4.479 4.496 -0.017 1
1 235 . 9 1 1 A 29 29 GLU C C 29 175.755 176.276 -0.521 1
1 236 . 9 1 1 A 29 29 GLU CA C 29 56.248 57.257 -1.009 1
1 237 . 9 1 1 A 29 29 GLU CB C 29 30.550 32.631 -2.081 1
1 239 . 9 1 1 A 29 29 GLU N N 29 117.067 117.994 -0.927 1
1 240 . 9 1 1 A 30 30 ARG H H 30 7.724 7.208 0.516 1
1 241 . 9 1 1 A 30 30 ARG HA H 30 4.688 4.490 0.198 1
1 248 . 9 1 1 A 30 30 ARG C C 30 174.546 176.134 -1.588 1
1 249 . 9 1 1 A 30 30 ARG CA C 30 55.948 56.480 -0.532 1
1 250 . 9 1 1 A 30 30 ARG CB C 30 33.034 30.560 2.474 1
1 253 . 9 1 1 A 30 30 ARG N N 30 120.305 118.645 1.660 1
1 254 . 9 1 1 A 31 31 LEU H H 31 8.970 9.079 -0.109 1
1 255 . 9 1 1 A 31 31 LEU HA H 31 4.635 4.867 -0.232 1
1 265 . 9 1 1 A 31 31 LEU C C 31 174.536 175.632 -1.096 1
1 266 . 9 1 1 A 31 31 LEU CA C 31 54.168 53.786 0.382 1
1 267 . 9 1 1 A 31 31 LEU CB C 31 45.021 41.804 3.217 1
1 271 . 9 1 1 A 31 31 LEU N N 31 124.553 125.635 -1.082 1
1 272 . 9 1 1 A 32 32 CYS H H 32 8.558 8.691 -0.133 1
1 273 . 9 1 1 A 32 32 CYS HA H 32 4.954 4.108 0.846 1
1 276 . 9 1 1 A 32 32 CYS C C 32 174.418 174.060 0.358 1
1 277 . 9 1 1 A 32 32 CYS CA C 32 56.874 58.786 -1.912 1
1 278 . 9 1 1 A 32 32 CYS CB C 32 28.054 27.221 0.833 1
1 279 . 9 1 1 A 32 32 CYS N N 32 124.126 124.323 -0.197 1
1 280 . 9 1 1 A 33 33 VAL H H 33 8.893 9.049 -0.156 1
1 281 . 9 1 1 A 33 33 VAL HA H 33 4.103 4.415 -0.312 1
1 289 . 9 1 1 A 33 33 VAL C C 33 175.525 176.079 -0.554 1
1 290 . 9 1 1 A 33 33 VAL CA C 33 61.551 61.078 0.473 1
1 291 . 9 1 1 A 33 33 VAL CB C 33 34.027 33.714 0.313 1
1 294 . 9 1 1 A 33 33 VAL N N 33 129.037 125.699 3.338 1
1 295 . 9 1 1 A 34 34 ASN HA H 34 4.389 4.437 -0.048 1
1 300 . 9 1 1 A 34 34 ASN C C 34 174.946 175.314 -0.368 1
1 301 . 9 1 1 A 34 34 ASN CA C 34 53.922 54.621 -0.699 1
1 302 . 9 1 1 A 34 34 ASN CB C 34 37.332 37.123 0.209 1
1 304 . 9 1 1 A 35 35 GLY H H 35 7.896 8.107 -0.211 1
1 305 . 9 1 1 A 35 35 GLY HA2 H 35 3.891 3.603 0.288 1
1 306 . 9 1 1 A 35 35 GLY HA3 H 35 3.180 3.639 -0.459 1
1 307 . 9 1 1 A 35 35 GLY C C 35 172.892 174.042 -1.150 1
1 308 . 9 1 1 A 35 35 GLY CA C 35 45.290 45.058 0.232 1
1 309 . 9 1 1 A 35 35 GLY N N 35 102.630 104.822 -2.192 1
1 310 . 9 1 1 A 36 36 HIS H H 36 7.694 7.480 0.214 1
1 311 . 9 1 1 A 36 36 HIS HA H 36 4.433 4.465 -0.032 1
1 315 . 9 1 1 A 36 36 HIS C C 36 172.910 174.539 -1.629 1
1 316 . 9 1 1 A 36 36 HIS CA C 36 54.433 56.039 -1.606 1
1 317 . 9 1 1 A 36 36 HIS CB C 36 32.464 31.045 1.419 1
1 319 . 9 1 1 A 36 36 HIS N N 36 119.651 118.582 1.069 1
1 320 . 9 1 1 A 37 37 PHE H H 37 8.502 8.981 -0.479 1
1 321 . 9 1 1 A 37 37 PHE HA H 37 5.314 5.596 -0.282 1
1 329 . 9 1 1 A 37 37 PHE C C 37 174.239 174.440 -0.201 1
1 330 . 9 1 1 A 37 37 PHE CA C 37 56.424 56.087 0.337 1
1 331 . 9 1 1 A 37 37 PHE CB C 37 41.572 41.596 -0.024 1
1 337 . 9 1 1 A 37 37 PHE N N 37 119.583 119.986 -0.403 1
1 338 . 9 1 1 A 38 38 PHE H H 38 8.664 9.294 -0.630 1
1 339 . 9 1 1 A 38 38 PHE HA H 38 5.866 4.993 0.873 1
1 347 . 9 1 1 A 38 38 PHE C C 38 177.496 175.046 2.450 1
1 348 . 9 1 1 A 38 38 PHE CA C 38 55.296 56.431 -1.135 1
1 349 . 9 1 1 A 38 38 PHE CB C 38 44.392 43.582 0.810 1
1 355 . 9 1 1 A 38 38 PHE N N 38 116.719 119.630 -2.911 1
1 356 . 9 1 1 A 39 39 HIS H H 39 8.854 8.420 0.434 1
1 357 . 9 1 1 A 39 39 HIS HA H 39 4.675 4.777 -0.102 1
1 362 . 9 1 1 A 39 39 HIS C C 39 178.476 176.664 1.812 1
1 363 . 9 1 1 A 39 39 HIS CA C 39 59.297 56.496 2.801 1
1 364 . 9 1 1 A 39 39 HIS CB C 39 30.980 30.385 0.595 1
1 367 . 9 1 1 A 39 39 HIS N N 39 120.015 119.589 0.426 1
1 368 . 9 1 1 A 40 40 ARG H H 40 9.256 9.269 -0.013 1
1 369 . 9 1 1 A 40 40 ARG HA H 40 3.965 4.085 -0.120 1
1 376 . 9 1 1 A 40 40 ARG C C 40 179.459 177.901 1.558 1
1 377 . 9 1 1 A 40 40 ARG CA C 40 60.547 58.877 1.670 1
1 378 . 9 1 1 A 40 40 ARG CB C 40 29.598 29.907 -0.309 1
1 381 . 9 1 1 A 40 40 ARG N N 40 126.206 124.018 2.188 1
1 382 . 9 1 1 A 41 41 SER H H 41 8.643 7.853 0.790 1
1 383 . 9 1 1 A 41 41 SER HA H 41 4.221 4.440 -0.219 1
1 386 . 9 1 1 A 41 41 SER C C 41 175.499 177.133 -1.634 1
1 387 . 9 1 1 A 41 41 SER CA C 41 60.160 61.052 -0.892 1
1 388 . 9 1 1 A 41 41 SER CB C 41 62.847 63.231 -0.384 1
1 389 . 9 1 1 A 41 41 SER N N 41 109.970 114.897 -4.927 1
1 390 . 9 1 1 A 42 42 CYS H H 42 7.427 8.453 -1.026 1
1 391 . 9 1 1 A 42 42 CYS HA H 42 4.306 4.149 0.157 1
1 394 . 9 1 1 A 42 42 CYS C C 42 174.200 175.930 -1.730 1
1 395 . 9 1 1 A 42 42 CYS CA C 42 61.569 63.600 -2.031 1
1 396 . 9 1 1 A 42 42 CYS CB C 42 30.945 28.242 2.703 1
1 397 . 9 1 1 A 42 42 CYS N N 42 118.020 119.631 -1.611 1
1 398 . 9 1 1 A 43 43 PHE H H 43 7.257 7.883 -0.626 1
1 399 . 9 1 1 A 43 43 PHE HA H 43 4.122 4.262 -0.140 1
1 407 . 9 1 1 A 43 43 PHE C C 43 172.037 174.569 -2.532 1
1 408 . 9 1 1 A 43 43 PHE CA C 43 57.112 58.769 -1.657 1
1 409 . 9 1 1 A 43 43 PHE CB C 43 37.448 38.855 -1.407 1
1 415 . 9 1 1 A 43 43 PHE N N 43 122.965 120.531 2.434 1
1 416 . 9 1 1 A 44 44 ARG H H 44 7.110 8.283 -1.173 1
1 417 . 9 1 1 A 44 44 ARG HA H 44 4.821 5.081 -0.260 1
1 424 . 9 1 1 A 44 44 ARG C C 44 174.097 175.117 -1.020 1
1 425 . 9 1 1 A 44 44 ARG CA C 44 53.323 53.636 -0.313 1
1 426 . 9 1 1 A 44 44 ARG CB C 44 34.911 34.062 0.849 1
1 429 . 9 1 1 A 44 44 ARG N N 44 123.199 125.755 -2.556 1
1 430 . 9 1 1 A 45 45 CYS H H 45 8.580 8.619 -0.039 1
1 431 . 9 1 1 A 45 45 CYS HA H 45 4.055 4.546 -0.491 1
1 434 . 9 1 1 A 45 45 CYS C C 45 177.493 175.266 2.227 1
1 435 . 9 1 1 A 45 45 CYS CA C 45 59.878 59.661 0.217 1
1 436 . 9 1 1 A 45 45 CYS CB C 45 32.052 28.956 3.096 1
1 437 . 9 1 1 A 45 45 CYS N N 45 121.527 121.199 0.328 1
1 438 . 9 1 1 A 46 46 HIS H H 46 9.187 8.651 0.536 1
1 439 . 9 1 1 A 46 46 HIS HA H 46 4.184 4.527 -0.343 1
1 443 . 9 1 1 A 46 46 HIS C C 46 175.000 176.203 -1.203 1
1 444 . 9 1 1 A 46 46 HIS CA C 46 59.137 57.195 1.942 1
1 445 . 9 1 1 A 46 46 HIS CB C 46 29.560 30.577 -1.017 1
1 447 . 9 1 1 A 46 46 HIS N N 46 130.205 125.165 5.040 1
1 448 . 9 1 1 A 47 47 THR H H 47 8.848 7.615 1.233 1
1 449 . 9 1 1 A 47 47 THR HA H 47 4.134 4.363 -0.229 1
1 454 . 9 1 1 A 47 47 THR C C 47 174.926 176.048 -1.122 1
1 455 . 9 1 1 A 47 47 THR CA C 47 65.535 63.828 1.707 1
1 456 . 9 1 1 A 47 47 THR CB C 47 70.010 70.631 -0.621 1
1 458 . 9 1 1 A 47 47 THR N N 47 116.066 111.731 4.335 1
1 459 . 9 1 1 A 48 48 CYS H H 48 8.181 8.207 -0.026 1
1 460 . 9 1 1 A 48 48 CYS HA H 48 4.821 4.551 0.270 1
1 463 . 9 1 1 A 48 48 CYS C C 48 176.004 174.651 1.353 1
1 464 . 9 1 1 A 48 48 CYS CA C 48 59.050 58.243 0.807 1
1 465 . 9 1 1 A 48 48 CYS CB C 48 32.944 28.541 4.403 1
1 466 . 9 1 1 A 48 48 CYS N N 48 119.626 115.899 3.727 1
1 467 . 9 1 1 A 49 49 GLU H H 49 8.081 7.998 0.083 1
1 468 . 9 1 1 A 49 49 GLU HA H 49 3.865 4.219 -0.354 1
1 473 . 9 1 1 A 49 49 GLU C C 49 174.137 174.792 -0.655 1
1 474 . 9 1 1 A 49 49 GLU CA C 49 58.732 57.525 1.207 1
1 475 . 9 1 1 A 49 49 GLU CB C 49 27.345 27.165 0.180 1
1 477 . 9 1 1 A 49 49 GLU N N 49 116.307 116.911 -0.604 1
1 478 . 9 1 1 A 50 50 ALA H H 50 8.498 7.808 0.690 1
1 479 . 9 1 1 A 50 50 ALA HA H 50 4.388 4.621 -0.233 1
1 483 . 9 1 1 A 50 50 ALA C C 50 178.362 177.090 1.272 1
1 484 . 9 1 1 A 50 50 ALA CA C 50 53.111 50.486 2.625 1
1 485 . 9 1 1 A 50 50 ALA CB C 50 20.334 20.908 -0.574 1
1 486 . 9 1 1 A 50 50 ALA N N 50 124.211 120.568 3.643 1
1 487 . 9 1 1 A 51 51 THR H H 51 8.470 8.441 0.029 1
1 488 . 9 1 1 A 51 51 THR HA H 51 3.811 3.932 -0.121 1
1 493 . 9 1 1 A 51 51 THR C C 51 173.931 173.665 0.266 1
1 494 . 9 1 1 A 51 51 THR CA C 51 64.345 63.531 0.814 1
1 495 . 9 1 1 A 51 51 THR CB C 51 69.428 67.884 1.544 1
1 497 . 9 1 1 A 51 51 THR N N 51 117.025 116.819 0.206 1
1 498 . 9 1 1 A 52 52 LEU H H 52 7.421 7.976 -0.555 1
1 499 . 9 1 1 A 52 52 LEU HA H 52 4.439 4.449 -0.010 1
1 509 . 9 1 1 A 52 52 LEU C C 52 175.390 175.575 -0.185 1
1 510 . 9 1 1 A 52 52 LEU CA C 52 53.728 54.500 -0.772 1
1 511 . 9 1 1 A 52 52 LEU CB C 52 42.020 40.817 1.203 1
1 515 . 9 1 1 A 52 52 LEU N N 52 125.339 127.615 -2.276 1
1 516 . 9 1 1 A 53 53 TRP H H 53 8.089 7.977 0.112 1
1 517 . 9 1 1 A 53 53 TRP HA H 53 5.148 4.694 0.454 1
1 526 . 9 1 1 A 53 53 TRP C C 53 173.534 176.752 -3.218 1
1 527 . 9 1 1 A 53 53 TRP CA C 53 54.345 56.680 -2.335 1
1 528 . 9 1 1 A 53 53 TRP CB C 53 30.134 29.173 0.961 1
1 534 . 9 1 1 A 53 53 TRP N N 53 120.731 126.701 -5.970 1
1 536 . 9 1 1 A 54 54 PRO HA H 54 4.553 4.546 0.007 1
1 543 . 9 1 1 A 54 54 PRO CA C 54 64.882 64.115 0.767 1
1 544 . 9 1 1 A 54 54 PRO CB C 54 31.969 31.462 0.507 1
1 547 . 9 1 1 A 55 55 GLY HA2 H 55 4.330 4.196 0.134 1
1 548 . 9 1 1 A 55 55 GLY HA3 H 55 3.795 4.218 -0.423 1
1 549 . 9 1 1 A 55 55 GLY C C 55 175.195 174.082 1.113 1
1 550 . 9 1 1 A 55 55 GLY CA C 55 45.586 45.827 -0.241 1
1 551 . 9 1 1 A 56 56 GLY H H 56 8.653 7.659 0.994 1
1 552 . 9 1 1 A 56 56 GLY HA2 H 56 4.567 4.283 0.284 1
1 553 . 9 1 1 A 56 56 GLY HA3 H 56 3.380 4.362 -0.982 1
1 554 . 9 1 1 A 56 56 GLY C C 56 174.377 173.526 0.851 1
1 555 . 9 1 1 A 56 56 GLY CA C 56 45.237 45.879 -0.642 1
1 556 . 9 1 1 A 56 56 GLY N N 56 107.803 106.674 1.129 1
1 557 . 9 1 1 A 57 57 TYR H H 57 7.269 7.902 -0.633 1
1 558 . 9 1 1 A 57 57 TYR HA H 57 5.600 5.263 0.337 1
1 565 . 9 1 1 A 57 57 TYR C C 57 173.258 173.706 -0.448 1
1 566 . 9 1 1 A 57 57 TYR CA C 57 55.666 56.493 -0.827 1
1 567 . 9 1 1 A 57 57 TYR CB C 57 44.451 40.913 3.538 1
1 572 . 9 1 1 A 57 57 TYR N N 57 116.315 116.400 -0.085 1
1 573 . 9 1 1 A 58 58 GLU H H 58 8.948 9.013 -0.065 1
1 574 . 9 1 1 A 58 58 GLU HA H 58 4.546 4.729 -0.183 1
1 579 . 9 1 1 A 58 58 GLU C C 58 174.242 174.443 -0.201 1
1 580 . 9 1 1 A 58 58 GLU CA C 58 55.790 55.286 0.504 1
1 581 . 9 1 1 A 58 58 GLU CB C 58 35.177 34.028 1.149 1
1 583 . 9 1 1 A 58 58 GLU N N 58 117.931 119.085 -1.154 1
1 584 . 9 1 1 A 59 59 GLN H H 59 9.205 8.838 0.367 1
1 585 . 9 1 1 A 59 59 GLN HA H 59 4.760 4.832 -0.072 1
1 592 . 9 1 1 A 59 59 GLN C C 59 175.807 175.202 0.605 1
1 593 . 9 1 1 A 59 59 GLN CA C 59 53.904 54.145 -0.241 1
1 594 . 9 1 1 A 59 59 GLN CB C 59 29.530 29.513 0.017 1
1 596 . 9 1 1 A 59 59 GLN N N 59 123.928 123.333 0.595 1
1 598 . 9 1 1 A 60 60 HIS H H 60 9.330 8.552 0.778 1
1 599 . 9 1 1 A 60 60 HIS HA H 60 4.945 4.644 0.301 1
1 604 . 9 1 1 A 60 60 HIS C C 60 175.428 175.445 -0.017 1
1 605 . 9 1 1 A 60 60 HIS CA C 60 54.556 55.057 -0.501 1
1 606 . 9 1 1 A 60 60 HIS CB C 60 32.329 31.317 1.012 1
1 609 . 9 1 1 A 60 60 HIS N N 60 131.634 127.004 4.630 1
1 610 . 9 1 1 A 61 61 PRO HA H 61 4.269 4.169 0.100 1
1 617 . 9 1 1 A 61 61 PRO CA C 61 64.043 64.701 -0.658 1
1 618 . 9 1 1 A 61 61 PRO CB C 61 31.752 31.799 -0.047 1
1 621 . 9 1 1 A 62 62 GLY H H 62 7.210 8.268 -1.058 1
1 622 . 9 1 1 A 62 62 GLY HA2 H 62 3.928 3.813 0.115 1
1 623 . 9 1 1 A 62 62 GLY HA3 H 62 3.666 3.978 -0.312 1
1 624 . 9 1 1 A 62 62 GLY CA C 62 46.610 47.222 -0.612 1
1 625 . 9 1 1 A 62 62 GLY N N 62 105.065 106.095 -1.030 1
1 626 . 9 1 1 A 63 63 ASP H H 63 8.237 8.072 0.165 1
1 627 . 9 1 1 A 63 63 ASP HA H 63 4.648 4.763 -0.115 1
1 630 . 9 1 1 A 63 63 ASP C C 63 177.303 176.634 0.669 1
1 631 . 9 1 1 A 63 63 ASP CA C 63 53.182 54.456 -1.274 1
1 632 . 9 1 1 A 63 63 ASP CB C 63 42.216 42.407 -0.191 1
1 633 . 9 1 1 A 63 63 ASP N N 63 118.685 118.223 0.462 1
1 634 . 9 1 1 A 64 64 GLY H H 64 8.315 7.990 0.325 1
1 635 . 9 1 1 A 64 64 GLY HA2 H 64 3.900 3.928 -0.028 1
1 636 . 9 1 1 A 64 64 GLY HA3 H 64 3.635 3.944 -0.309 1
1 637 . 9 1 1 A 64 64 GLY C C 64 174.457 173.548 0.909 1
1 638 . 9 1 1 A 64 64 GLY CA C 64 46.004 45.358 0.646 1
1 639 . 9 1 1 A 64 64 GLY N N 64 109.742 108.424 1.318 1
1 640 . 9 1 1 A 65 65 HIS H H 65 9.101 7.477 1.624 1
1 641 . 9 1 1 A 65 65 HIS HA H 65 4.675 4.980 -0.305 1
1 645 . 9 1 1 A 65 65 HIS C C 65 173.603 173.431 0.172 1
1 646 . 9 1 1 A 65 65 HIS CA C 65 55.208 54.435 0.773 1
1 647 . 9 1 1 A 65 65 HIS CB C 65 30.321 34.214 -3.893 1
1 649 . 9 1 1 A 65 65 HIS N N 65 121.111 116.561 4.550 1
1 650 . 9 1 1 A 66 66 PHE H H 66 8.841 8.481 0.360 1
1 651 . 9 1 1 A 66 66 PHE HA H 66 5.005 5.303 -0.298 1
1 659 . 9 1 1 A 66 66 PHE C C 66 174.272 174.266 0.006 1
1 660 . 9 1 1 A 66 66 PHE CA C 66 57.904 56.212 1.692 1
1 661 . 9 1 1 A 66 66 PHE CB C 66 40.990 41.390 -0.400 1
1 667 . 9 1 1 A 66 66 PHE N N 66 118.465 117.323 1.142 1
1 668 . 9 1 1 A 67 67 TYR H H 67 8.714 9.237 -0.523 1
1 669 . 9 1 1 A 67 67 TYR HA H 67 5.676 5.176 0.500 1
1 676 . 9 1 1 A 67 67 TYR C C 67 176.345 175.892 0.453 1
1 677 . 9 1 1 A 67 67 TYR CA C 67 56.829 56.542 0.287 1
1 678 . 9 1 1 A 67 67 TYR CB C 67 43.668 43.357 0.311 1
1 683 . 9 1 1 A 67 67 TYR N N 67 117.828 120.960 -3.132 1
1 684 . 9 1 1 A 68 68 CYS H H 68 9.524 8.663 0.861 1
1 685 . 9 1 1 A 68 68 CYS HA H 68 5.152 4.952 0.200 1
1 688 . 9 1 1 A 68 68 CYS C C 68 176.563 176.421 0.142 1
1 689 . 9 1 1 A 68 68 CYS CA C 68 58.468 58.380 0.088 1
1 690 . 9 1 1 A 68 68 CYS CB C 68 29.373 29.499 -0.126 1
1 691 . 9 1 1 A 68 68 CYS N N 68 120.631 120.281 0.350 1
1 692 . 9 1 1 A 69 69 LEU H H 69 7.630 8.740 -1.110 1
1 693 . 9 1 1 A 69 69 LEU HA H 69 3.952 4.397 -0.445 1
1 703 . 9 1 1 A 69 69 LEU C C 69 179.373 176.759 2.614 1
1 704 . 9 1 1 A 69 69 LEU CA C 69 58.080 55.483 2.597 1
1 705 . 9 1 1 A 69 69 LEU CB C 69 40.125 41.231 -1.106 1
1 709 . 9 1 1 A 69 69 LEU N N 69 117.279 122.289 -5.010 1
1 710 . 9 1 1 A 70 70 GLN H H 70 8.159 8.250 -0.091 1
1 711 . 9 1 1 A 70 70 GLN HA H 70 4.106 4.641 -0.535 1
1 718 . 9 1 1 A 70 70 GLN C C 70 177.094 177.033 0.061 1
1 719 . 9 1 1 A 70 70 GLN CA C 70 57.781 56.171 1.610 1
1 720 . 9 1 1 A 70 70 GLN CB C 70 28.537 30.981 -2.444 1
1 722 . 9 1 1 A 70 70 GLN N N 70 115.749 119.386 -3.637 1
1 724 . 9 1 1 A 71 71 HIS H H 71 7.651 7.725 -0.074 1
1 725 . 9 1 1 A 71 71 HIS HA H 71 4.917 4.766 0.151 1
1 730 . 9 1 1 A 71 71 HIS C C 71 173.431 175.039 -1.608 1
1 731 . 9 1 1 A 71 71 HIS CA C 71 56.142 56.033 0.109 1
1 732 . 9 1 1 A 71 71 HIS CB C 71 33.010 31.667 1.343 1
1 735 . 9 1 1 A 71 71 HIS N N 71 116.846 115.597 1.249 1
1 736 . 9 1 1 A 72 72 LEU H H 72 7.154 7.540 -0.386 1
1 737 . 9 1 1 A 72 72 LEU HA H 72 3.772 4.231 -0.459 1
1 747 . 9 1 1 A 72 72 LEU C C 72 174.748 175.094 -0.346 1
1 748 . 9 1 1 A 72 72 LEU CA C 72 53.499 53.277 0.222 1
1 749 . 9 1 1 A 72 72 LEU CB C 72 42.729 43.041 -0.312 1
1 753 . 9 1 1 A 72 72 LEU N N 72 124.029 122.261 1.768 1
1 754 . 9 1 1 A 73 73 PRO HA H 73 4.145 4.462 -0.317 1
1 761 . 9 1 1 A 73 73 PRO C C 73 175.785 175.292 0.493 1
1 762 . 9 1 1 A 73 73 PRO CA C 73 63.050 62.075 0.975 1
1 763 . 9 1 1 A 73 73 PRO CB C 73 32.055 32.680 -0.625 1
1 766 . 9 1 1 A 74 74 GLN H H 74 8.359 8.682 -0.323 1
1 767 . 9 1 1 A 74 74 GLN HA H 74 4.386 5.295 -0.909 1
1 774 . 9 1 1 A 74 74 GLN C C 74 176.731 176.313 0.418 1
1 775 . 9 1 1 A 74 74 GLN CA C 74 55.526 54.375 1.151 1
1 776 . 9 1 1 A 74 74 GLN CB C 74 29.817 32.869 -3.052 1
1 778 . 9 1 1 A 74 74 GLN N N 74 120.467 118.662 1.805 1
1 780 . 9 1 1 A 75 75 THR H H 75 8.368 8.872 -0.504 1
1 781 . 9 1 1 A 75 75 THR HA H 75 4.390 4.072 0.318 1
1 786 . 9 1 1 A 75 75 THR C C 75 174.257 174.364 -0.107 1
1 787 . 9 1 1 A 75 75 THR CA C 75 61.993 65.491 -3.498 1
1 788 . 9 1 1 A 75 75 THR CB C 75 69.991 68.289 1.702 1
1 790 . 9 1 1 A 75 75 THR N N 75 116.318 117.657 -1.339 1
1 791 . 9 1 1 A 76 76 ASP H H 76 8.528 7.745 0.783 1
1 792 . 9 1 1 A 76 76 ASP HA H 76 4.700 4.758 -0.058 1
1 795 . 9 1 1 A 76 76 ASP C C 76 176.200 175.190 1.010 1
1 796 . 9 1 1 A 76 76 ASP CA C 76 54.363 53.362 1.001 1
1 797 . 9 1 1 A 76 76 ASP CB C 76 41.362 40.043 1.319 1
1 798 . 9 1 1 A 76 76 ASP N N 76 123.204 122.349 0.855 1
1 799 . 9 1 1 A 77 77 SER H H 77 8.346 8.470 -0.124 1
1 800 . 9 1 1 A 77 77 SER HA H 77 4.497 5.232 -0.735 1
1 803 . 9 1 1 A 77 77 SER C C 77 174.724 173.107 1.617 1
1 804 . 9 1 1 A 77 77 SER CA C 77 58.451 56.981 1.470 1
1 805 . 9 1 1 A 77 77 SER CB C 77 64.101 66.853 -2.752 1
1 806 . 9 1 1 A 77 77 SER N N 77 116.515 120.627 -4.112 1
1 807 . 9 1 1 A 78 78 GLY H H 78 8.330 8.402 -0.072 1
1 808 . 9 1 1 A 78 78 GLY HA2 H 78 4.135 4.151 -0.016 1
1 809 . 9 1 1 A 78 78 GLY HA3 H 78 4.135 4.153 -0.018 1
1 810 . 9 1 1 A 78 78 GLY C C 78 171.883 173.537 -1.654 1
1 811 . 9 1 1 A 78 78 GLY CA C 78 44.745 44.539 0.206 1
1 812 . 9 1 1 A 78 78 GLY N N 78 110.837 113.391 -2.554 1
1 813 . 9 1 1 A 79 79 PRO HA H 79 4.501 4.495 0.006 1
1 820 . 9 1 1 A 79 79 PRO C C 79 177.463 176.903 0.560 1
1 821 . 9 1 1 A 79 79 PRO CA C 79 63.332 62.884 0.448 1
1 822 . 9 1 1 A 79 79 PRO CB C 79 32.229 31.886 0.343 1
1 825 . 9 1 1 A 80 80 SER H H 80 8.531 8.324 0.207 1
1 826 . 9 1 1 A 80 80 SER HA H 80 4.521 4.343 0.178 1
1 829 . 9 1 1 A 80 80 SER C C 80 174.760 174.166 0.594 1
1 830 . 9 1 1 A 80 80 SER CA C 80 58.398 60.296 -1.898 1
1 831 . 9 1 1 A 80 80 SER CB C 80 63.978 63.723 0.255 1
1 832 . 9 1 1 A 80 80 SER N N 80 116.479 119.323 -2.844 1
1 833 . 9 1 1 A 81 81 SER H H 81 8.358 8.736 -0.378 1
1 834 . 9 1 1 A 81 81 SER HA H 81 4.530 4.899 -0.369 1
1 837 . 9 1 1 A 81 81 SER C C 81 173.982 174.979 -0.997 1
1 838 . 9 1 1 A 81 81 SER CA C 81 58.416 56.813 1.603 1
1 839 . 9 1 1 A 81 81 SER CB C 81 64.082 65.157 -1.075 1
1 840 . 9 1 1 A 81 81 SER N N 81 117.964 120.761 -2.797 1
1 1 . 10 1 1 A 9 9 HIS HA H 9 4.627 5.500 -0.873 1
1 5 . 10 1 1 A 9 9 HIS C C 9 175.239 172.856 2.383 1
1 6 . 10 1 1 A 9 9 HIS CA C 9 56.347 53.716 2.631 1
1 7 . 10 1 1 A 9 9 HIS CB C 9 30.681 33.029 -2.348 1
1 9 . 10 1 1 A 10 10 GLN H H 10 8.313 8.813 -0.500 1
1 10 . 10 1 1 A 10 10 GLN HA H 10 4.323 4.902 -0.579 1
1 17 . 10 1 1 A 10 10 GLN C C 10 175.703 173.881 1.822 1
1 18 . 10 1 1 A 10 10 GLN CA C 10 55.875 54.277 1.598 1
1 19 . 10 1 1 A 10 10 GLN CB C 10 29.726 33.217 -3.491 1
1 21 . 10 1 1 A 10 10 GLN N N 10 122.031 118.343 3.688 1
1 23 . 10 1 1 A 11 11 GLU H H 11 8.546 8.677 -0.131 1
1 24 . 10 1 1 A 11 11 GLU HA H 11 4.275 4.441 -0.166 1
1 29 . 10 1 1 A 11 11 GLU C C 11 176.303 176.769 -0.466 1
1 30 . 10 1 1 A 11 11 GLU CA C 11 56.472 56.408 0.064 1
1 31 . 10 1 1 A 11 11 GLU CB C 11 30.303 31.009 -0.706 1
1 33 . 10 1 1 A 11 11 GLU N N 11 122.648 122.982 -0.334 1
1 34 . 10 1 1 A 12 12 ALA H H 12 8.403 8.841 -0.438 1
1 35 . 10 1 1 A 12 12 ALA HA H 12 4.288 4.400 -0.112 1
1 39 . 10 1 1 A 12 12 ALA C C 12 178.231 177.519 0.712 1
1 40 . 10 1 1 A 12 12 ALA CA C 12 52.759 52.247 0.512 1
1 41 . 10 1 1 A 12 12 ALA CB C 12 19.237 18.822 0.415 1
1 42 . 10 1 1 A 12 12 ALA N N 12 125.516 128.395 -2.879 1
1 43 . 10 1 1 A 13 13 GLY H H 13 8.490 8.606 -0.116 1
1 44 . 10 1 1 A 13 13 GLY HA2 H 13 3.994 3.952 0.042 1
1 45 . 10 1 1 A 13 13 GLY HA3 H 13 3.890 3.952 -0.062 1
1 46 . 10 1 1 A 13 13 GLY C C 13 174.176 173.602 0.574 1
1 47 . 10 1 1 A 13 13 GLY CA C 13 45.094 46.300 -1.206 1
1 48 . 10 1 1 A 13 13 GLY N N 13 108.839 111.365 -2.526 1
1 49 . 10 1 1 A 14 14 ALA H H 14 8.172 7.606 0.566 1
1 50 . 10 1 1 A 14 14 ALA HA H 14 4.246 4.638 -0.392 1
1 54 . 10 1 1 A 14 14 ALA C C 14 178.304 176.640 1.664 1
1 55 . 10 1 1 A 14 14 ALA CA C 14 52.988 51.385 1.603 1
1 56 . 10 1 1 A 14 14 ALA CB C 14 19.228 22.919 -3.691 1
1 57 . 10 1 1 A 14 14 ALA N N 14 123.459 120.193 3.266 1
1 58 . 10 1 1 A 15 15 GLY H H 15 8.329 8.357 -0.028 1
1 59 . 10 1 1 A 15 15 GLY HA2 H 15 3.578 4.186 -0.608 1
1 60 . 10 1 1 A 15 15 GLY HA3 H 15 3.578 4.203 -0.625 1
1 61 . 10 1 1 A 15 15 GLY C C 15 173.577 173.555 0.022 1
1 62 . 10 1 1 A 15 15 GLY CA C 15 45.128 46.190 -1.062 1
1 63 . 10 1 1 A 15 15 GLY N N 15 107.276 108.065 -0.789 1
1 64 . 10 1 1 A 16 16 ASP H H 16 7.898 7.797 0.101 1
1 65 . 10 1 1 A 16 16 ASP HA H 16 4.547 4.826 -0.279 1
1 68 . 10 1 1 A 16 16 ASP C C 16 174.898 174.304 0.594 1
1 69 . 10 1 1 A 16 16 ASP CA C 16 54.344 52.896 1.448 1
1 70 . 10 1 1 A 16 16 ASP CB C 16 41.534 41.155 0.379 1
1 71 . 10 1 1 A 16 16 ASP N N 16 118.642 119.945 -1.303 1
1 72 . 10 1 1 A 17 17 LEU H H 17 7.822 7.637 0.185 1
1 73 . 10 1 1 A 17 17 LEU HA H 17 4.446 4.914 -0.468 1
1 83 . 10 1 1 A 17 17 LEU C C 17 175.902 175.683 0.219 1
1 84 . 10 1 1 A 17 17 LEU CA C 17 53.128 53.136 -0.008 1
1 85 . 10 1 1 A 17 17 LEU CB C 17 44.656 45.471 -0.815 1
1 89 . 10 1 1 A 17 17 LEU N N 17 119.654 120.815 -1.161 1
1 90 . 10 1 1 A 18 18 CYS H H 18 8.080 8.479 -0.399 1
1 91 . 10 1 1 A 18 18 CYS HA H 18 4.248 4.141 0.107 1
1 94 . 10 1 1 A 18 18 CYS C C 18 177.466 176.015 1.451 1
1 95 . 10 1 1 A 18 18 CYS CA C 18 58.398 59.694 -1.296 1
1 96 . 10 1 1 A 18 18 CYS CB C 18 31.990 28.403 3.587 1
1 97 . 10 1 1 A 18 18 CYS N N 18 123.013 124.424 -1.411 1
1 98 . 10 1 1 A 19 19 ALA H H 19 9.211 8.430 0.781 1
1 99 . 10 1 1 A 19 19 ALA HA H 19 4.172 4.211 -0.039 1
1 103 . 10 1 1 A 19 19 ALA C C 19 177.724 179.454 -1.730 1
1 104 . 10 1 1 A 19 19 ALA CA C 19 54.327 53.513 0.814 1
1 105 . 10 1 1 A 19 19 ALA CB C 19 18.662 19.248 -0.586 1
1 106 . 10 1 1 A 19 19 ALA N N 19 132.258 129.786 2.472 1
1 107 . 10 1 1 A 20 20 LEU H H 20 8.911 7.937 0.974 1
1 108 . 10 1 1 A 20 20 LEU HA H 20 4.736 4.054 0.682 1
1 118 . 10 1 1 A 20 20 LEU C C 20 177.779 178.491 -0.712 1
1 119 . 10 1 1 A 20 20 LEU CA C 20 56.935 57.990 -1.055 1
1 120 . 10 1 1 A 20 20 LEU CB C 20 43.750 42.328 1.422 1
1 124 . 10 1 1 A 20 20 LEU N N 20 119.770 119.915 -0.145 1
1 125 . 10 1 1 A 21 21 CYS H H 21 8.159 7.364 0.795 1
1 126 . 10 1 1 A 21 21 CYS HA H 21 4.962 4.582 0.380 1
1 129 . 10 1 1 A 21 21 CYS C C 21 176.947 175.440 1.507 1
1 130 . 10 1 1 A 21 21 CYS CA C 21 59.137 59.767 -0.630 1
1 131 . 10 1 1 A 21 21 CYS CB C 21 31.728 29.315 2.413 1
1 132 . 10 1 1 A 21 21 CYS N N 21 116.713 113.379 3.334 1
1 133 . 10 1 1 A 22 22 GLY H H 22 8.088 8.219 -0.131 1
1 134 . 10 1 1 A 22 22 GLY HA2 H 22 4.160 3.986 0.174 1
1 135 . 10 1 1 A 22 22 GLY HA3 H 22 3.865 4.004 -0.139 1
1 136 . 10 1 1 A 22 22 GLY C C 22 173.190 173.973 -0.783 1
1 137 . 10 1 1 A 22 22 GLY CA C 22 46.556 45.566 0.990 1
1 138 . 10 1 1 A 22 22 GLY N N 22 112.000 110.097 1.903 1
1 139 . 10 1 1 A 23 23 GLU H H 23 8.378 7.954 0.424 1
1 140 . 10 1 1 A 23 23 GLU HA H 23 4.712 4.851 -0.139 1
1 145 . 10 1 1 A 23 23 GLU C C 23 176.434 175.727 0.707 1
1 146 . 10 1 1 A 23 23 GLU CA C 23 55.014 54.449 0.565 1
1 147 . 10 1 1 A 23 23 GLU CB C 23 31.557 32.943 -1.386 1
1 149 . 10 1 1 A 23 23 GLU N N 23 118.877 119.099 -0.222 1
1 150 . 10 1 1 A 24 24 HIS H H 24 8.666 8.807 -0.141 1
1 151 . 10 1 1 A 24 24 HIS HA H 24 4.333 4.518 -0.185 1
1 156 . 10 1 1 A 24 24 HIS C C 24 175.281 174.886 0.395 1
1 157 . 10 1 1 A 24 24 HIS CA C 24 58.186 57.941 0.245 1
1 158 . 10 1 1 A 24 24 HIS CB C 24 30.099 30.778 -0.679 1
1 161 . 10 1 1 A 24 24 HIS N N 24 118.732 121.383 -2.651 1
1 162 . 10 1 1 A 25 25 LEU H H 25 7.928 8.506 -0.578 1
1 163 . 10 1 1 A 25 25 LEU HA H 25 4.174 5.252 -1.078 1
1 173 . 10 1 1 A 25 25 LEU C C 25 175.186 174.848 0.338 1
1 174 . 10 1 1 A 25 25 LEU CA C 25 53.992 53.556 0.436 1
1 175 . 10 1 1 A 25 25 LEU CB C 25 43.742 45.049 -1.307 1
1 179 . 10 1 1 A 25 25 LEU N N 25 125.590 124.217 1.373 1
1 180 . 10 1 1 A 26 26 TYR H H 26 8.768 9.014 -0.246 1
1 181 . 10 1 1 A 26 26 TYR HA H 26 4.651 4.931 -0.280 1
1 188 . 10 1 1 A 26 26 TYR C C 26 177.267 177.095 0.172 1
1 189 . 10 1 1 A 26 26 TYR CA C 26 57.270 56.518 0.752 1
1 190 . 10 1 1 A 26 26 TYR CB C 26 38.210 40.732 -2.522 1
1 195 . 10 1 1 A 26 26 TYR N N 26 123.119 124.177 -1.058 1
1 196 . 10 1 1 A 27 27 VAL H H 27 8.086 8.421 -0.335 1
1 197 . 10 1 1 A 27 27 VAL HA H 27 3.809 3.659 0.150 1
1 205 . 10 1 1 A 27 27 VAL C C 27 176.958 176.452 0.506 1
1 206 . 10 1 1 A 27 27 VAL CA C 27 64.551 64.940 -0.389 1
1 207 . 10 1 1 A 27 27 VAL CB C 27 31.788 31.230 0.558 1
1 210 . 10 1 1 A 27 27 VAL N N 27 121.055 125.878 -4.823 1
1 211 . 10 1 1 A 28 28 LEU H H 28 7.665 7.824 -0.159 1
1 212 . 10 1 1 A 28 28 LEU HA H 28 4.285 4.355 -0.070 1
1 222 . 10 1 1 A 28 28 LEU C C 28 177.710 178.507 -0.797 1
1 223 . 10 1 1 A 28 28 LEU CA C 28 56.297 56.767 -0.470 1
1 224 . 10 1 1 A 28 28 LEU CB C 28 41.998 42.420 -0.422 1
1 228 . 10 1 1 A 28 28 LEU N N 28 119.062 122.141 -3.079 1
1 229 . 10 1 1 A 29 29 GLU H H 29 7.961 8.451 -0.490 1
1 230 . 10 1 1 A 29 29 GLU HA H 29 4.479 4.104 0.375 1
1 235 . 10 1 1 A 29 29 GLU C C 29 175.755 177.164 -1.409 1
1 236 . 10 1 1 A 29 29 GLU CA C 29 56.248 59.954 -3.706 1
1 237 . 10 1 1 A 29 29 GLU CB C 29 30.550 29.311 1.239 1
1 239 . 10 1 1 A 29 29 GLU N N 29 117.067 117.547 -0.480 1
1 240 . 10 1 1 A 30 30 ARG H H 30 7.724 7.750 -0.026 1
1 241 . 10 1 1 A 30 30 ARG HA H 30 4.688 4.353 0.335 1
1 248 . 10 1 1 A 30 30 ARG C C 30 174.546 175.827 -1.281 1
1 249 . 10 1 1 A 30 30 ARG CA C 30 55.948 56.352 -0.404 1
1 250 . 10 1 1 A 30 30 ARG CB C 30 33.034 30.589 2.445 1
1 253 . 10 1 1 A 30 30 ARG N N 30 120.305 118.304 2.001 1
1 254 . 10 1 1 A 31 31 LEU H H 31 8.970 8.670 0.300 1
1 255 . 10 1 1 A 31 31 LEU HA H 31 4.635 4.802 -0.167 1
1 265 . 10 1 1 A 31 31 LEU C C 31 174.536 175.462 -0.926 1
1 266 . 10 1 1 A 31 31 LEU CA C 31 54.168 53.940 0.228 1
1 267 . 10 1 1 A 31 31 LEU CB C 31 45.021 43.352 1.669 1
1 271 . 10 1 1 A 31 31 LEU N N 31 124.553 123.624 0.929 1
1 272 . 10 1 1 A 32 32 CYS H H 32 8.558 8.700 -0.142 1
1 273 . 10 1 1 A 32 32 CYS HA H 32 4.954 3.995 0.959 1
1 276 . 10 1 1 A 32 32 CYS C C 32 174.418 173.943 0.475 1
1 277 . 10 1 1 A 32 32 CYS CA C 32 56.874 58.621 -1.747 1
1 278 . 10 1 1 A 32 32 CYS CB C 32 28.054 26.919 1.135 1
1 279 . 10 1 1 A 32 32 CYS N N 32 124.126 124.540 -0.414 1
1 280 . 10 1 1 A 33 33 VAL H H 33 8.893 8.753 0.140 1
1 281 . 10 1 1 A 33 33 VAL HA H 33 4.103 4.441 -0.338 1
1 289 . 10 1 1 A 33 33 VAL C C 33 175.525 175.973 -0.448 1
1 290 . 10 1 1 A 33 33 VAL CA C 33 61.551 61.041 0.510 1
1 291 . 10 1 1 A 33 33 VAL CB C 33 34.027 33.028 0.999 1
1 294 . 10 1 1 A 33 33 VAL N N 33 129.037 125.558 3.479 1
1 295 . 10 1 1 A 34 34 ASN HA H 34 4.389 4.436 -0.047 1
1 300 . 10 1 1 A 34 34 ASN C C 34 174.946 175.271 -0.325 1
1 301 . 10 1 1 A 34 34 ASN CA C 34 53.922 54.514 -0.592 1
1 302 . 10 1 1 A 34 34 ASN CB C 34 37.332 37.028 0.304 1
1 304 . 10 1 1 A 35 35 GLY H H 35 7.896 8.061 -0.165 1
1 305 . 10 1 1 A 35 35 GLY HA2 H 35 3.891 3.576 0.315 1
1 306 . 10 1 1 A 35 35 GLY HA3 H 35 3.180 3.610 -0.430 1
1 307 . 10 1 1 A 35 35 GLY C C 35 172.892 174.090 -1.198 1
1 308 . 10 1 1 A 35 35 GLY CA C 35 45.290 44.854 0.436 1
1 309 . 10 1 1 A 35 35 GLY N N 35 102.630 104.960 -2.330 1
1 310 . 10 1 1 A 36 36 HIS H H 36 7.694 7.148 0.546 1
1 311 . 10 1 1 A 36 36 HIS HA H 36 4.433 4.299 0.134 1
1 315 . 10 1 1 A 36 36 HIS C C 36 172.910 173.998 -1.088 1
1 316 . 10 1 1 A 36 36 HIS CA C 36 54.433 55.767 -1.334 1
1 317 . 10 1 1 A 36 36 HIS CB C 36 32.464 30.596 1.868 1
1 319 . 10 1 1 A 36 36 HIS N N 36 119.651 118.494 1.157 1
1 320 . 10 1 1 A 37 37 PHE H H 37 8.502 8.811 -0.309 1
1 321 . 10 1 1 A 37 37 PHE HA H 37 5.314 5.216 0.098 1
1 329 . 10 1 1 A 37 37 PHE C C 37 174.239 174.117 0.122 1
1 330 . 10 1 1 A 37 37 PHE CA C 37 56.424 55.774 0.650 1
1 331 . 10 1 1 A 37 37 PHE CB C 37 41.572 41.522 0.050 1
1 337 . 10 1 1 A 37 37 PHE N N 37 119.583 120.067 -0.484 1
1 338 . 10 1 1 A 38 38 PHE H H 38 8.664 8.948 -0.284 1
1 339 . 10 1 1 A 38 38 PHE HA H 38 5.866 4.875 0.991 1
1 347 . 10 1 1 A 38 38 PHE C C 38 177.496 175.212 2.284 1
1 348 . 10 1 1 A 38 38 PHE CA C 38 55.296 56.469 -1.173 1
1 349 . 10 1 1 A 38 38 PHE CB C 38 44.392 42.706 1.686 1
1 355 . 10 1 1 A 38 38 PHE N N 38 116.719 120.124 -3.405 1
1 356 . 10 1 1 A 39 39 HIS H H 39 8.854 8.242 0.612 1
1 357 . 10 1 1 A 39 39 HIS HA H 39 4.675 4.608 0.067 1
1 362 . 10 1 1 A 39 39 HIS C C 39 178.476 176.862 1.614 1
1 363 . 10 1 1 A 39 39 HIS CA C 39 59.297 57.270 2.027 1
1 364 . 10 1 1 A 39 39 HIS CB C 39 30.980 30.245 0.735 1
1 367 . 10 1 1 A 39 39 HIS N N 39 120.015 121.098 -1.083 1
1 368 . 10 1 1 A 40 40 ARG H H 40 9.256 9.003 0.253 1
1 369 . 10 1 1 A 40 40 ARG HA H 40 3.965 3.964 0.001 1
1 376 . 10 1 1 A 40 40 ARG C C 40 179.459 178.061 1.398 1
1 377 . 10 1 1 A 40 40 ARG CA C 40 60.547 59.996 0.551 1
1 378 . 10 1 1 A 40 40 ARG CB C 40 29.598 30.067 -0.469 1
1 381 . 10 1 1 A 40 40 ARG N N 40 126.206 123.316 2.890 1
1 382 . 10 1 1 A 41 41 SER H H 41 8.643 8.060 0.583 1
1 383 . 10 1 1 A 41 41 SER HA H 41 4.221 4.201 0.020 1
1 386 . 10 1 1 A 41 41 SER C C 41 175.499 175.920 -0.421 1
1 387 . 10 1 1 A 41 41 SER CA C 41 60.160 62.239 -2.079 1
1 388 . 10 1 1 A 41 41 SER CB C 41 62.847 63.539 -0.692 1
1 389 . 10 1 1 A 41 41 SER N N 41 109.970 116.783 -6.813 1
1 390 . 10 1 1 A 42 42 CYS H H 42 7.427 8.304 -0.877 1
1 391 . 10 1 1 A 42 42 CYS HA H 42 4.306 4.173 0.133 1
1 394 . 10 1 1 A 42 42 CYS C C 42 174.200 176.305 -2.105 1
1 395 . 10 1 1 A 42 42 CYS CA C 42 61.569 63.486 -1.917 1
1 396 . 10 1 1 A 42 42 CYS CB C 42 30.945 26.869 4.076 1
1 397 . 10 1 1 A 42 42 CYS N N 42 118.020 120.068 -2.048 1
1 398 . 10 1 1 A 43 43 PHE H H 43 7.257 7.985 -0.728 1
1 399 . 10 1 1 A 43 43 PHE HA H 43 4.122 4.170 -0.048 1
1 407 . 10 1 1 A 43 43 PHE C C 43 172.037 174.628 -2.591 1
1 408 . 10 1 1 A 43 43 PHE CA C 43 57.112 58.500 -1.388 1
1 409 . 10 1 1 A 43 43 PHE CB C 43 37.448 39.175 -1.727 1
1 415 . 10 1 1 A 43 43 PHE N N 43 122.965 121.281 1.684 1
1 416 . 10 1 1 A 44 44 ARG H H 44 7.110 8.222 -1.112 1
1 417 . 10 1 1 A 44 44 ARG HA H 44 4.821 4.802 0.019 1
1 424 . 10 1 1 A 44 44 ARG C C 44 174.097 174.893 -0.796 1
1 425 . 10 1 1 A 44 44 ARG CA C 44 53.323 53.350 -0.027 1
1 426 . 10 1 1 A 44 44 ARG CB C 44 34.911 34.270 0.641 1
1 429 . 10 1 1 A 44 44 ARG N N 44 123.199 125.785 -2.586 1
1 430 . 10 1 1 A 45 45 CYS H H 45 8.580 8.347 0.233 1
1 431 . 10 1 1 A 45 45 CYS HA H 45 4.055 4.492 -0.437 1
1 434 . 10 1 1 A 45 45 CYS C C 45 177.493 175.087 2.406 1
1 435 . 10 1 1 A 45 45 CYS CA C 45 59.878 59.560 0.318 1
1 436 . 10 1 1 A 45 45 CYS CB C 45 32.052 28.874 3.178 1
1 437 . 10 1 1 A 45 45 CYS N N 45 121.527 121.013 0.514 1
1 438 . 10 1 1 A 46 46 HIS H H 46 9.187 8.592 0.595 1
1 439 . 10 1 1 A 46 46 HIS HA H 46 4.184 4.588 -0.404 1
1 443 . 10 1 1 A 46 46 HIS C C 46 175.000 176.096 -1.096 1
1 444 . 10 1 1 A 46 46 HIS CA C 46 59.137 57.189 1.948 1
1 445 . 10 1 1 A 46 46 HIS CB C 46 29.560 30.561 -1.001 1
1 447 . 10 1 1 A 46 46 HIS N N 46 130.205 125.153 5.052 1
1 448 . 10 1 1 A 47 47 THR H H 47 8.848 7.601 1.247 1
1 449 . 10 1 1 A 47 47 THR HA H 47 4.134 4.424 -0.290 1
1 454 . 10 1 1 A 47 47 THR C C 47 174.926 175.902 -0.976 1
1 455 . 10 1 1 A 47 47 THR CA C 47 65.535 63.428 2.107 1
1 456 . 10 1 1 A 47 47 THR CB C 47 70.010 70.799 -0.789 1
1 458 . 10 1 1 A 47 47 THR N N 47 116.066 111.734 4.332 1
1 459 . 10 1 1 A 48 48 CYS H H 48 8.181 8.147 0.034 1
1 460 . 10 1 1 A 48 48 CYS HA H 48 4.821 4.573 0.248 1
1 463 . 10 1 1 A 48 48 CYS C C 48 176.004 174.752 1.252 1
1 464 . 10 1 1 A 48 48 CYS CA C 48 59.050 58.156 0.894 1
1 465 . 10 1 1 A 48 48 CYS CB C 48 32.944 29.397 3.547 1
1 466 . 10 1 1 A 48 48 CYS N N 48 119.626 116.115 3.511 1
1 467 . 10 1 1 A 49 49 GLU H H 49 8.081 8.012 0.069 1
1 468 . 10 1 1 A 49 49 GLU HA H 49 3.865 4.201 -0.336 1
1 473 . 10 1 1 A 49 49 GLU C C 49 174.137 174.669 -0.532 1
1 474 . 10 1 1 A 49 49 GLU CA C 49 58.732 57.502 1.230 1
1 475 . 10 1 1 A 49 49 GLU CB C 49 27.345 27.142 0.203 1
1 477 . 10 1 1 A 49 49 GLU N N 49 116.307 116.768 -0.461 1
1 478 . 10 1 1 A 50 50 ALA H H 50 8.498 7.759 0.739 1
1 479 . 10 1 1 A 50 50 ALA HA H 50 4.388 4.590 -0.202 1
1 483 . 10 1 1 A 50 50 ALA C C 50 178.362 176.883 1.479 1
1 484 . 10 1 1 A 50 50 ALA CA C 50 53.111 50.406 2.705 1
1 485 . 10 1 1 A 50 50 ALA CB C 50 20.334 20.591 -0.257 1
1 486 . 10 1 1 A 50 50 ALA N N 50 124.211 120.623 3.588 1
1 487 . 10 1 1 A 51 51 THR H H 51 8.470 8.474 -0.004 1
1 488 . 10 1 1 A 51 51 THR HA H 51 3.811 3.916 -0.105 1
1 493 . 10 1 1 A 51 51 THR C C 51 173.931 173.797 0.134 1
1 494 . 10 1 1 A 51 51 THR CA C 51 64.345 63.737 0.608 1
1 495 . 10 1 1 A 51 51 THR CB C 51 69.428 68.299 1.129 1
1 497 . 10 1 1 A 51 51 THR N N 51 117.025 117.002 0.023 1
1 498 . 10 1 1 A 52 52 LEU H H 52 7.421 7.994 -0.573 1
1 499 . 10 1 1 A 52 52 LEU HA H 52 4.439 4.251 0.188 1
1 509 . 10 1 1 A 52 52 LEU C C 52 175.390 175.902 -0.512 1
1 510 . 10 1 1 A 52 52 LEU CA C 52 53.728 54.370 -0.642 1
1 511 . 10 1 1 A 52 52 LEU CB C 52 42.020 40.324 1.696 1
1 515 . 10 1 1 A 52 52 LEU N N 52 125.339 127.504 -2.165 1
1 516 . 10 1 1 A 53 53 TRP H H 53 8.089 8.172 -0.083 1
1 517 . 10 1 1 A 53 53 TRP HA H 53 5.148 4.796 0.352 1
1 526 . 10 1 1 A 53 53 TRP C C 53 173.534 176.891 -3.357 1
1 527 . 10 1 1 A 53 53 TRP CA C 53 54.345 56.744 -2.399 1
1 528 . 10 1 1 A 53 53 TRP CB C 53 30.134 29.276 0.858 1
1 534 . 10 1 1 A 53 53 TRP N N 53 120.731 126.679 -5.948 1
1 536 . 10 1 1 A 54 54 PRO HA H 54 4.553 4.709 -0.156 1
1 543 . 10 1 1 A 54 54 PRO CA C 54 64.882 64.229 0.653 1
1 544 . 10 1 1 A 54 54 PRO CB C 54 31.969 31.555 0.414 1
1 547 . 10 1 1 A 55 55 GLY HA2 H 55 4.330 4.186 0.144 1
1 548 . 10 1 1 A 55 55 GLY HA3 H 55 3.795 4.204 -0.409 1
1 549 . 10 1 1 A 55 55 GLY C C 55 175.195 174.015 1.180 1
1 550 . 10 1 1 A 55 55 GLY CA C 55 45.586 45.823 -0.237 1
1 551 . 10 1 1 A 56 56 GLY H H 56 8.653 7.505 1.148 1
1 552 . 10 1 1 A 56 56 GLY HA2 H 56 4.567 4.256 0.311 1
1 553 . 10 1 1 A 56 56 GLY HA3 H 56 3.380 4.317 -0.937 1
1 554 . 10 1 1 A 56 56 GLY C C 56 174.377 172.937 1.440 1
1 555 . 10 1 1 A 56 56 GLY CA C 56 45.237 45.843 -0.606 1
1 556 . 10 1 1 A 56 56 GLY N N 56 107.803 107.189 0.614 1
1 557 . 10 1 1 A 57 57 TYR H H 57 7.269 7.916 -0.647 1
1 558 . 10 1 1 A 57 57 TYR HA H 57 5.600 5.262 0.338 1
1 565 . 10 1 1 A 57 57 TYR C C 57 173.258 173.388 -0.130 1
1 566 . 10 1 1 A 57 57 TYR CA C 57 55.666 56.402 -0.736 1
1 567 . 10 1 1 A 57 57 TYR CB C 57 44.451 40.740 3.711 1
1 572 . 10 1 1 A 57 57 TYR N N 57 116.315 115.921 0.394 1
1 573 . 10 1 1 A 58 58 GLU H H 58 8.948 8.949 -0.001 1
1 574 . 10 1 1 A 58 58 GLU HA H 58 4.546 4.818 -0.272 1
1 579 . 10 1 1 A 58 58 GLU C C 58 174.242 174.667 -0.425 1
1 580 . 10 1 1 A 58 58 GLU CA C 58 55.790 54.860 0.930 1
1 581 . 10 1 1 A 58 58 GLU CB C 58 35.177 34.464 0.713 1
1 583 . 10 1 1 A 58 58 GLU N N 58 117.931 119.321 -1.390 1
1 584 . 10 1 1 A 59 59 GLN H H 59 9.205 8.929 0.276 1
1 585 . 10 1 1 A 59 59 GLN HA H 59 4.760 4.978 -0.218 1
1 592 . 10 1 1 A 59 59 GLN C C 59 175.807 175.153 0.654 1
1 593 . 10 1 1 A 59 59 GLN CA C 59 53.904 54.228 -0.324 1
1 594 . 10 1 1 A 59 59 GLN CB C 59 29.530 29.738 -0.208 1
1 596 . 10 1 1 A 59 59 GLN N N 59 123.928 123.410 0.518 1
1 598 . 10 1 1 A 60 60 HIS H H 60 9.330 9.060 0.270 1
1 599 . 10 1 1 A 60 60 HIS HA H 60 4.945 4.446 0.499 1
1 604 . 10 1 1 A 60 60 HIS C C 60 175.428 175.552 -0.124 1
1 605 . 10 1 1 A 60 60 HIS CA C 60 54.556 55.171 -0.615 1
1 606 . 10 1 1 A 60 60 HIS CB C 60 32.329 31.025 1.304 1
1 609 . 10 1 1 A 60 60 HIS N N 60 131.634 127.577 4.057 1
1 610 . 10 1 1 A 61 61 PRO HA H 61 4.269 4.159 0.110 1
1 617 . 10 1 1 A 61 61 PRO CA C 61 64.043 64.700 -0.657 1
1 618 . 10 1 1 A 61 61 PRO CB C 61 31.752 31.779 -0.027 1
1 621 . 10 1 1 A 62 62 GLY H H 62 7.210 8.063 -0.853 1
1 622 . 10 1 1 A 62 62 GLY HA2 H 62 3.928 3.743 0.185 1
1 623 . 10 1 1 A 62 62 GLY HA3 H 62 3.666 3.898 -0.232 1
1 624 . 10 1 1 A 62 62 GLY CA C 62 46.610 47.176 -0.566 1
1 625 . 10 1 1 A 62 62 GLY N N 62 105.065 106.005 -0.940 1
1 626 . 10 1 1 A 63 63 ASP H H 63 8.237 8.100 0.137 1
1 627 . 10 1 1 A 63 63 ASP HA H 63 4.648 4.691 -0.043 1
1 630 . 10 1 1 A 63 63 ASP C C 63 177.303 176.244 1.059 1
1 631 . 10 1 1 A 63 63 ASP CA C 63 53.182 55.170 -1.988 1
1 632 . 10 1 1 A 63 63 ASP CB C 63 42.216 42.103 0.113 1
1 633 . 10 1 1 A 63 63 ASP N N 63 118.685 120.822 -2.137 1
1 634 . 10 1 1 A 64 64 GLY H H 64 8.315 7.604 0.711 1
1 635 . 10 1 1 A 64 64 GLY HA2 H 64 3.900 3.986 -0.086 1
1 636 . 10 1 1 A 64 64 GLY HA3 H 64 3.635 3.990 -0.355 1
1 637 . 10 1 1 A 64 64 GLY C C 64 174.457 173.719 0.738 1
1 638 . 10 1 1 A 64 64 GLY CA C 64 46.004 45.306 0.698 1
1 639 . 10 1 1 A 64 64 GLY N N 64 109.742 106.083 3.659 1
1 640 . 10 1 1 A 65 65 HIS H H 65 9.101 7.993 1.108 1
1 641 . 10 1 1 A 65 65 HIS HA H 65 4.675 4.938 -0.263 1
1 645 . 10 1 1 A 65 65 HIS C C 65 173.603 173.471 0.132 1
1 646 . 10 1 1 A 65 65 HIS CA C 65 55.208 54.528 0.680 1
1 647 . 10 1 1 A 65 65 HIS CB C 65 30.321 34.069 -3.748 1
1 649 . 10 1 1 A 65 65 HIS N N 65 121.111 117.051 4.060 1
1 650 . 10 1 1 A 66 66 PHE H H 66 8.841 8.484 0.357 1
1 651 . 10 1 1 A 66 66 PHE HA H 66 5.005 5.247 -0.242 1
1 659 . 10 1 1 A 66 66 PHE C C 66 174.272 174.220 0.052 1
1 660 . 10 1 1 A 66 66 PHE CA C 66 57.904 56.204 1.700 1
1 661 . 10 1 1 A 66 66 PHE CB C 66 40.990 41.284 -0.294 1
1 667 . 10 1 1 A 66 66 PHE N N 66 118.465 117.415 1.050 1
1 668 . 10 1 1 A 67 67 TYR H H 67 8.714 9.256 -0.542 1
1 669 . 10 1 1 A 67 67 TYR HA H 67 5.676 5.164 0.512 1
1 676 . 10 1 1 A 67 67 TYR C C 67 176.345 175.872 0.473 1
1 677 . 10 1 1 A 67 67 TYR CA C 67 56.829 56.402 0.427 1
1 678 . 10 1 1 A 67 67 TYR CB C 67 43.668 43.118 0.550 1
1 683 . 10 1 1 A 67 67 TYR N N 67 117.828 121.661 -3.833 1
1 684 . 10 1 1 A 68 68 CYS H H 68 9.524 8.558 0.966 1
1 685 . 10 1 1 A 68 68 CYS HA H 68 5.152 4.830 0.322 1
1 688 . 10 1 1 A 68 68 CYS C C 68 176.563 176.074 0.489 1
1 689 . 10 1 1 A 68 68 CYS CA C 68 58.468 58.392 0.076 1
1 690 . 10 1 1 A 68 68 CYS CB C 68 29.373 29.674 -0.301 1
1 691 . 10 1 1 A 68 68 CYS N N 68 120.631 120.329 0.302 1
1 692 . 10 1 1 A 69 69 LEU H H 69 7.630 8.749 -1.119 1
1 693 . 10 1 1 A 69 69 LEU HA H 69 3.952 4.410 -0.458 1
1 703 . 10 1 1 A 69 69 LEU C C 69 179.373 176.862 2.511 1
1 704 . 10 1 1 A 69 69 LEU CA C 69 58.080 55.274 2.806 1
1 705 . 10 1 1 A 69 69 LEU CB C 69 40.125 41.303 -1.178 1
1 709 . 10 1 1 A 69 69 LEU N N 69 117.279 122.385 -5.106 1
1 710 . 10 1 1 A 70 70 GLN H H 70 8.159 8.308 -0.149 1
1 711 . 10 1 1 A 70 70 GLN HA H 70 4.106 4.702 -0.596 1
1 718 . 10 1 1 A 70 70 GLN C C 70 177.094 177.042 0.052 1
1 719 . 10 1 1 A 70 70 GLN CA C 70 57.781 56.765 1.016 1
1 720 . 10 1 1 A 70 70 GLN CB C 70 28.537 31.296 -2.759 1
1 722 . 10 1 1 A 70 70 GLN N N 70 115.749 119.383 -3.634 1
1 724 . 10 1 1 A 71 71 HIS H H 71 7.651 7.643 0.008 1
1 725 . 10 1 1 A 71 71 HIS HA H 71 4.917 4.758 0.159 1
1 730 . 10 1 1 A 71 71 HIS C C 71 173.431 174.877 -1.446 1
1 731 . 10 1 1 A 71 71 HIS CA C 71 56.142 56.267 -0.125 1
1 732 . 10 1 1 A 71 71 HIS CB C 71 33.010 31.560 1.450 1
1 735 . 10 1 1 A 71 71 HIS N N 71 116.846 115.195 1.651 1
1 736 . 10 1 1 A 72 72 LEU H H 72 7.154 7.456 -0.302 1
1 737 . 10 1 1 A 72 72 LEU HA H 72 3.772 4.081 -0.309 1
1 747 . 10 1 1 A 72 72 LEU C C 72 174.748 175.127 -0.379 1
1 748 . 10 1 1 A 72 72 LEU CA C 72 53.499 53.285 0.214 1
1 749 . 10 1 1 A 72 72 LEU CB C 72 42.729 43.103 -0.374 1
1 753 . 10 1 1 A 72 72 LEU N N 72 124.029 121.903 2.126 1
1 754 . 10 1 1 A 73 73 PRO HA H 73 4.145 4.445 -0.300 1
1 761 . 10 1 1 A 73 73 PRO C C 73 175.785 175.518 0.267 1
1 762 . 10 1 1 A 73 73 PRO CA C 73 63.050 62.103 0.947 1
1 763 . 10 1 1 A 73 73 PRO CB C 73 32.055 32.430 -0.375 1
1 766 . 10 1 1 A 74 74 GLN H H 74 8.359 8.537 -0.178 1
1 767 . 10 1 1 A 74 74 GLN HA H 74 4.386 5.155 -0.769 1
1 774 . 10 1 1 A 74 74 GLN C C 74 176.731 174.703 2.028 1
1 775 . 10 1 1 A 74 74 GLN CA C 74 55.526 54.663 0.863 1
1 776 . 10 1 1 A 74 74 GLN CB C 74 29.817 31.757 -1.940 1
1 778 . 10 1 1 A 74 74 GLN N N 74 120.467 118.776 1.691 1
1 780 . 10 1 1 A 75 75 THR H H 75 8.368 8.871 -0.503 1
1 781 . 10 1 1 A 75 75 THR HA H 75 4.390 4.597 -0.207 1
1 786 . 10 1 1 A 75 75 THR C C 75 174.257 174.866 -0.609 1
1 787 . 10 1 1 A 75 75 THR CA C 75 61.993 62.438 -0.445 1
1 788 . 10 1 1 A 75 75 THR CB C 75 69.991 69.497 0.494 1
1 790 . 10 1 1 A 75 75 THR N N 75 116.318 120.496 -4.178 1
1 791 . 10 1 1 A 76 76 ASP H H 76 8.528 8.747 -0.219 1
1 792 . 10 1 1 A 76 76 ASP HA H 76 4.700 4.632 0.068 1
1 795 . 10 1 1 A 76 76 ASP C C 76 176.200 175.825 0.375 1
1 796 . 10 1 1 A 76 76 ASP CA C 76 54.363 56.611 -2.248 1
1 797 . 10 1 1 A 76 76 ASP CB C 76 41.362 42.745 -1.383 1
1 798 . 10 1 1 A 76 76 ASP N N 76 123.204 124.740 -1.536 1
1 799 . 10 1 1 A 77 77 SER H H 77 8.346 8.429 -0.083 1
1 800 . 10 1 1 A 77 77 SER HA H 77 4.497 4.865 -0.368 1
1 803 . 10 1 1 A 77 77 SER C C 77 174.724 174.727 -0.003 1
1 804 . 10 1 1 A 77 77 SER CA C 77 58.451 56.452 1.999 1
1 805 . 10 1 1 A 77 77 SER CB C 77 64.101 65.373 -1.272 1
1 806 . 10 1 1 A 77 77 SER N N 77 116.515 113.013 3.502 1
1 807 . 10 1 1 A 78 78 GLY H H 78 8.330 8.706 -0.376 1
1 808 . 10 1 1 A 78 78 GLY HA2 H 78 4.135 3.947 0.188 1
1 809 . 10 1 1 A 78 78 GLY HA3 H 78 4.135 3.952 0.183 1
1 810 . 10 1 1 A 78 78 GLY C C 78 171.883 174.730 -2.847 1
1 811 . 10 1 1 A 78 78 GLY CA C 78 44.745 46.348 -1.603 1
1 812 . 10 1 1 A 78 78 GLY N N 78 110.837 114.328 -3.491 1
1 813 . 10 1 1 A 79 79 PRO HA H 79 4.501 4.557 -0.056 1
1 820 . 10 1 1 A 79 79 PRO C C 79 177.463 176.786 0.677 1
1 821 . 10 1 1 A 79 79 PRO CA C 79 63.332 62.828 0.504 1
1 822 . 10 1 1 A 79 79 PRO CB C 79 32.229 31.937 0.292 1
1 825 . 10 1 1 A 80 80 SER H H 80 8.531 8.301 0.230 1
1 826 . 10 1 1 A 80 80 SER HA H 80 4.521 4.250 0.271 1
1 829 . 10 1 1 A 80 80 SER C C 80 174.760 174.512 0.248 1
1 830 . 10 1 1 A 80 80 SER CA C 80 58.398 60.438 -2.040 1
1 831 . 10 1 1 A 80 80 SER CB C 80 63.978 63.449 0.529 1
1 832 . 10 1 1 A 80 80 SER N N 80 116.479 119.407 -2.928 1
1 833 . 10 1 1 A 81 81 SER H H 81 8.358 8.653 -0.295 1
1 834 . 10 1 1 A 81 81 SER HA H 81 4.530 5.110 -0.580 1
1 837 . 10 1 1 A 81 81 SER C C 81 173.982 173.417 0.565 1
1 838 . 10 1 1 A 81 81 SER CA C 81 58.416 56.392 2.024 1
1 839 . 10 1 1 A 81 81 SER CB C 81 64.082 65.990 -1.908 1
1 840 . 10 1 1 A 81 81 SER N N 81 117.964 119.220 -1.256 1
1 1 . 11 1 1 A 9 9 HIS HA H 9 4.627 5.130 -0.503 1
1 5 . 11 1 1 A 9 9 HIS C C 9 175.239 174.845 0.394 1
1 6 . 11 1 1 A 9 9 HIS CA C 9 56.347 54.395 1.952 1
1 7 . 11 1 1 A 9 9 HIS CB C 9 30.681 32.858 -2.177 1
1 9 . 11 1 1 A 10 10 GLN H H 10 8.313 8.563 -0.250 1
1 10 . 11 1 1 A 10 10 GLN HA H 10 4.323 4.921 -0.598 1
1 17 . 11 1 1 A 10 10 GLN C C 10 175.703 175.683 0.020 1
1 18 . 11 1 1 A 10 10 GLN CA C 10 55.875 54.555 1.320 1
1 19 . 11 1 1 A 10 10 GLN CB C 10 29.726 31.012 -1.286 1
1 21 . 11 1 1 A 10 10 GLN N N 10 122.031 122.357 -0.326 1
1 23 . 11 1 1 A 11 11 GLU H H 11 8.546 8.854 -0.308 1
1 24 . 11 1 1 A 11 11 GLU HA H 11 4.275 4.498 -0.223 1
1 29 . 11 1 1 A 11 11 GLU C C 11 176.303 175.700 0.603 1
1 30 . 11 1 1 A 11 11 GLU CA C 11 56.472 55.148 1.324 1
1 31 . 11 1 1 A 11 11 GLU CB C 11 30.303 30.446 -0.143 1
1 33 . 11 1 1 A 11 11 GLU N N 11 122.648 125.742 -3.094 1
1 34 . 11 1 1 A 12 12 ALA H H 12 8.403 8.360 0.043 1
1 35 . 11 1 1 A 12 12 ALA HA H 12 4.288 4.829 -0.541 1
1 39 . 11 1 1 A 12 12 ALA C C 12 178.231 177.178 1.053 1
1 40 . 11 1 1 A 12 12 ALA CA C 12 52.759 50.784 1.975 1
1 41 . 11 1 1 A 12 12 ALA CB C 12 19.237 22.145 -2.908 1
1 42 . 11 1 1 A 12 12 ALA N N 12 125.516 120.793 4.723 1
1 43 . 11 1 1 A 13 13 GLY H H 13 8.490 8.374 0.116 1
1 44 . 11 1 1 A 13 13 GLY HA2 H 13 3.994 4.015 -0.021 1
1 45 . 11 1 1 A 13 13 GLY HA3 H 13 3.890 4.018 -0.128 1
1 46 . 11 1 1 A 13 13 GLY C C 13 174.176 172.816 1.360 1
1 47 . 11 1 1 A 13 13 GLY CA C 13 45.094 44.977 0.117 1
1 48 . 11 1 1 A 13 13 GLY N N 13 108.839 106.619 2.220 1
1 49 . 11 1 1 A 14 14 ALA H H 14 8.172 7.965 0.207 1
1 50 . 11 1 1 A 14 14 ALA HA H 14 4.246 4.929 -0.683 1
1 54 . 11 1 1 A 14 14 ALA C C 14 178.304 178.801 -0.497 1
1 55 . 11 1 1 A 14 14 ALA CA C 14 52.988 50.583 2.405 1
1 56 . 11 1 1 A 14 14 ALA CB C 14 19.228 20.745 -1.517 1
1 57 . 11 1 1 A 14 14 ALA N N 14 123.459 124.478 -1.019 1
1 58 . 11 1 1 A 15 15 GLY H H 15 8.329 8.818 -0.489 1
1 59 . 11 1 1 A 15 15 GLY HA2 H 15 3.578 3.762 -0.184 1
1 60 . 11 1 1 A 15 15 GLY HA3 H 15 3.578 3.764 -0.186 1
1 61 . 11 1 1 A 15 15 GLY C C 15 173.577 174.428 -0.851 1
1 62 . 11 1 1 A 15 15 GLY CA C 15 45.128 47.316 -2.188 1
1 63 . 11 1 1 A 15 15 GLY N N 15 107.276 109.525 -2.249 1
1 64 . 11 1 1 A 16 16 ASP H H 16 7.898 7.869 0.029 1
1 65 . 11 1 1 A 16 16 ASP HA H 16 4.547 3.744 0.803 1
1 68 . 11 1 1 A 16 16 ASP C C 16 174.898 174.233 0.665 1
1 69 . 11 1 1 A 16 16 ASP CA C 16 54.344 55.103 -0.759 1
1 70 . 11 1 1 A 16 16 ASP CB C 16 41.534 38.789 2.745 1
1 71 . 11 1 1 A 16 16 ASP N N 16 118.642 114.817 3.825 1
1 72 . 11 1 1 A 17 17 LEU H H 17 7.822 7.525 0.297 1
1 73 . 11 1 1 A 17 17 LEU HA H 17 4.446 4.700 -0.254 1
1 83 . 11 1 1 A 17 17 LEU C C 17 175.902 175.761 0.141 1
1 84 . 11 1 1 A 17 17 LEU CA C 17 53.128 52.835 0.293 1
1 85 . 11 1 1 A 17 17 LEU CB C 17 44.656 44.373 0.283 1
1 89 . 11 1 1 A 17 17 LEU N N 17 119.654 118.501 1.153 1
1 90 . 11 1 1 A 18 18 CYS H H 18 8.080 8.129 -0.049 1
1 91 . 11 1 1 A 18 18 CYS HA H 18 4.248 3.940 0.308 1
1 94 . 11 1 1 A 18 18 CYS C C 18 177.466 176.708 0.758 1
1 95 . 11 1 1 A 18 18 CYS CA C 18 58.398 59.751 -1.353 1
1 96 . 11 1 1 A 18 18 CYS CB C 18 31.990 27.994 3.996 1
1 97 . 11 1 1 A 18 18 CYS N N 18 123.013 124.337 -1.324 1
1 98 . 11 1 1 A 19 19 ALA H H 19 9.211 8.546 0.665 1
1 99 . 11 1 1 A 19 19 ALA HA H 19 4.172 4.320 -0.148 1
1 103 . 11 1 1 A 19 19 ALA C C 19 177.724 177.339 0.385 1
1 104 . 11 1 1 A 19 19 ALA CA C 19 54.327 52.671 1.656 1
1 105 . 11 1 1 A 19 19 ALA CB C 19 18.662 18.213 0.449 1
1 106 . 11 1 1 A 19 19 ALA N N 19 132.258 130.206 2.052 1
1 107 . 11 1 1 A 20 20 LEU H H 20 8.911 7.570 1.341 1
1 108 . 11 1 1 A 20 20 LEU HA H 20 4.736 4.514 0.222 1
1 118 . 11 1 1 A 20 20 LEU C C 20 177.779 178.271 -0.492 1
1 119 . 11 1 1 A 20 20 LEU CA C 20 56.935 56.472 0.463 1
1 120 . 11 1 1 A 20 20 LEU CB C 20 43.750 43.755 -0.005 1
1 124 . 11 1 1 A 20 20 LEU N N 20 119.770 117.143 2.627 1
1 125 . 11 1 1 A 21 21 CYS H H 21 8.159 8.146 0.013 1
1 126 . 11 1 1 A 21 21 CYS HA H 21 4.962 4.603 0.359 1
1 129 . 11 1 1 A 21 21 CYS C C 21 176.947 175.362 1.585 1
1 130 . 11 1 1 A 21 21 CYS CA C 21 59.137 59.634 -0.497 1
1 131 . 11 1 1 A 21 21 CYS CB C 21 31.728 29.453 2.275 1
1 132 . 11 1 1 A 21 21 CYS N N 21 116.713 113.540 3.173 1
1 133 . 11 1 1 A 22 22 GLY H H 22 8.088 8.108 -0.020 1
1 134 . 11 1 1 A 22 22 GLY HA2 H 22 4.160 3.979 0.181 1
1 135 . 11 1 1 A 22 22 GLY HA3 H 22 3.865 4.011 -0.146 1
1 136 . 11 1 1 A 22 22 GLY C C 22 173.190 174.007 -0.817 1
1 137 . 11 1 1 A 22 22 GLY CA C 22 46.556 45.343 1.213 1
1 138 . 11 1 1 A 22 22 GLY N N 22 112.000 110.251 1.749 1
1 139 . 11 1 1 A 23 23 GLU H H 23 8.378 7.352 1.026 1
1 140 . 11 1 1 A 23 23 GLU HA H 23 4.712 4.764 -0.052 1
1 145 . 11 1 1 A 23 23 GLU C C 23 176.434 175.403 1.031 1
1 146 . 11 1 1 A 23 23 GLU CA C 23 55.014 54.840 0.174 1
1 147 . 11 1 1 A 23 23 GLU CB C 23 31.557 32.028 -0.471 1
1 149 . 11 1 1 A 23 23 GLU N N 23 118.877 119.096 -0.219 1
1 150 . 11 1 1 A 24 24 HIS H H 24 8.666 8.887 -0.221 1
1 151 . 11 1 1 A 24 24 HIS HA H 24 4.333 4.809 -0.476 1
1 156 . 11 1 1 A 24 24 HIS C C 24 175.281 174.736 0.545 1
1 157 . 11 1 1 A 24 24 HIS CA C 24 58.186 57.129 1.057 1
1 158 . 11 1 1 A 24 24 HIS CB C 24 30.099 30.823 -0.724 1
1 161 . 11 1 1 A 24 24 HIS N N 24 118.732 121.247 -2.515 1
1 162 . 11 1 1 A 25 25 LEU H H 25 7.928 7.892 0.036 1
1 163 . 11 1 1 A 25 25 LEU HA H 25 4.174 5.215 -1.041 1
1 173 . 11 1 1 A 25 25 LEU C C 25 175.186 175.625 -0.439 1
1 174 . 11 1 1 A 25 25 LEU CA C 25 53.992 53.352 0.640 1
1 175 . 11 1 1 A 25 25 LEU CB C 25 43.742 44.119 -0.377 1
1 179 . 11 1 1 A 25 25 LEU N N 25 125.590 125.468 0.122 1
1 180 . 11 1 1 A 26 26 TYR H H 26 8.768 8.606 0.162 1
1 181 . 11 1 1 A 26 26 TYR HA H 26 4.651 5.125 -0.474 1
1 188 . 11 1 1 A 26 26 TYR C C 26 177.267 175.563 1.704 1
1 189 . 11 1 1 A 26 26 TYR CA C 26 57.270 56.806 0.464 1
1 190 . 11 1 1 A 26 26 TYR CB C 26 38.210 41.442 -3.232 1
1 195 . 11 1 1 A 26 26 TYR N N 26 123.119 122.059 1.060 1
1 196 . 11 1 1 A 27 27 VAL H H 27 8.086 7.699 0.387 1
1 197 . 11 1 1 A 27 27 VAL HA H 27 3.809 3.524 0.285 1
1 205 . 11 1 1 A 27 27 VAL C C 27 176.958 177.285 -0.327 1
1 206 . 11 1 1 A 27 27 VAL CA C 27 64.551 66.637 -2.086 1
1 207 . 11 1 1 A 27 27 VAL CB C 27 31.788 31.548 0.240 1
1 210 . 11 1 1 A 27 27 VAL N N 27 121.055 125.348 -4.293 1
1 211 . 11 1 1 A 28 28 LEU H H 28 7.665 8.045 -0.380 1
1 212 . 11 1 1 A 28 28 LEU HA H 28 4.285 4.170 0.115 1
1 222 . 11 1 1 A 28 28 LEU C C 28 177.710 177.858 -0.148 1
1 223 . 11 1 1 A 28 28 LEU CA C 28 56.297 57.269 -0.972 1
1 224 . 11 1 1 A 28 28 LEU CB C 28 41.998 42.252 -0.254 1
1 228 . 11 1 1 A 28 28 LEU N N 28 119.062 117.763 1.299 1
1 229 . 11 1 1 A 29 29 GLU H H 29 7.961 8.035 -0.074 1
1 230 . 11 1 1 A 29 29 GLU HA H 29 4.479 4.523 -0.044 1
1 235 . 11 1 1 A 29 29 GLU C C 29 175.755 175.075 0.680 1
1 236 . 11 1 1 A 29 29 GLU CA C 29 56.248 56.207 0.041 1
1 237 . 11 1 1 A 29 29 GLU CB C 29 30.550 27.945 2.605 1
1 239 . 11 1 1 A 29 29 GLU N N 29 117.067 116.046 1.021 1
1 240 . 11 1 1 A 30 30 ARG H H 30 7.724 8.032 -0.308 1
1 241 . 11 1 1 A 30 30 ARG HA H 30 4.688 5.156 -0.468 1
1 248 . 11 1 1 A 30 30 ARG C C 30 174.546 174.026 0.520 1
1 249 . 11 1 1 A 30 30 ARG CA C 30 55.948 55.130 0.818 1
1 250 . 11 1 1 A 30 30 ARG CB C 30 33.034 33.762 -0.728 1
1 253 . 11 1 1 A 30 30 ARG N N 30 120.305 117.348 2.957 1
1 254 . 11 1 1 A 31 31 LEU H H 31 8.970 9.313 -0.343 1
1 255 . 11 1 1 A 31 31 LEU HA H 31 4.635 4.726 -0.091 1
1 265 . 11 1 1 A 31 31 LEU C C 31 174.536 175.234 -0.698 1
1 266 . 11 1 1 A 31 31 LEU CA C 31 54.168 53.672 0.496 1
1 267 . 11 1 1 A 31 31 LEU CB C 31 45.021 43.182 1.839 1
1 271 . 11 1 1 A 31 31 LEU N N 31 124.553 124.450 0.103 1
1 272 . 11 1 1 A 32 32 CYS H H 32 8.558 8.507 0.051 1
1 273 . 11 1 1 A 32 32 CYS HA H 32 4.954 3.929 1.025 1
1 276 . 11 1 1 A 32 32 CYS C C 32 174.418 174.043 0.375 1
1 277 . 11 1 1 A 32 32 CYS CA C 32 56.874 58.470 -1.596 1
1 278 . 11 1 1 A 32 32 CYS CB C 32 28.054 27.463 0.591 1
1 279 . 11 1 1 A 32 32 CYS N N 32 124.126 124.312 -0.186 1
1 280 . 11 1 1 A 33 33 VAL H H 33 8.893 8.921 -0.028 1
1 281 . 11 1 1 A 33 33 VAL HA H 33 4.103 4.376 -0.273 1
1 289 . 11 1 1 A 33 33 VAL C C 33 175.525 176.001 -0.476 1
1 290 . 11 1 1 A 33 33 VAL CA C 33 61.551 61.088 0.463 1
1 291 . 11 1 1 A 33 33 VAL CB C 33 34.027 33.942 0.085 1
1 294 . 11 1 1 A 33 33 VAL N N 33 129.037 125.276 3.761 1
1 295 . 11 1 1 A 34 34 ASN HA H 34 4.389 4.402 -0.013 1
1 300 . 11 1 1 A 34 34 ASN C C 34 174.946 175.176 -0.230 1
1 301 . 11 1 1 A 34 34 ASN CA C 34 53.922 54.601 -0.679 1
1 302 . 11 1 1 A 34 34 ASN CB C 34 37.332 37.218 0.114 1
1 304 . 11 1 1 A 35 35 GLY H H 35 7.896 8.062 -0.166 1
1 305 . 11 1 1 A 35 35 GLY HA2 H 35 3.891 3.634 0.257 1
1 306 . 11 1 1 A 35 35 GLY HA3 H 35 3.180 3.698 -0.518 1
1 307 . 11 1 1 A 35 35 GLY C C 35 172.892 173.941 -1.049 1
1 308 . 11 1 1 A 35 35 GLY CA C 35 45.290 45.034 0.256 1
1 309 . 11 1 1 A 35 35 GLY N N 35 102.630 104.858 -2.228 1
1 310 . 11 1 1 A 36 36 HIS H H 36 7.694 7.669 0.025 1
1 311 . 11 1 1 A 36 36 HIS HA H 36 4.433 4.468 -0.035 1
1 315 . 11 1 1 A 36 36 HIS C C 36 172.910 174.555 -1.645 1
1 316 . 11 1 1 A 36 36 HIS CA C 36 54.433 56.321 -1.888 1
1 317 . 11 1 1 A 36 36 HIS CB C 36 32.464 30.225 2.239 1
1 319 . 11 1 1 A 36 36 HIS N N 36 119.651 118.704 0.947 1
1 320 . 11 1 1 A 37 37 PHE H H 37 8.502 9.137 -0.635 1
1 321 . 11 1 1 A 37 37 PHE HA H 37 5.314 5.186 0.128 1
1 329 . 11 1 1 A 37 37 PHE C C 37 174.239 174.677 -0.438 1
1 330 . 11 1 1 A 37 37 PHE CA C 37 56.424 56.488 -0.064 1
1 331 . 11 1 1 A 37 37 PHE CB C 37 41.572 41.310 0.262 1
1 337 . 11 1 1 A 37 37 PHE N N 37 119.583 121.904 -2.321 1
1 338 . 11 1 1 A 38 38 PHE H H 38 8.664 8.615 0.049 1
1 339 . 11 1 1 A 38 38 PHE HA H 38 5.866 4.829 1.037 1
1 347 . 11 1 1 A 38 38 PHE C C 38 177.496 175.096 2.400 1
1 348 . 11 1 1 A 38 38 PHE CA C 38 55.296 56.431 -1.135 1
1 349 . 11 1 1 A 38 38 PHE CB C 38 44.392 43.020 1.372 1
1 355 . 11 1 1 A 38 38 PHE N N 38 116.719 119.219 -2.500 1
1 356 . 11 1 1 A 39 39 HIS H H 39 8.854 8.429 0.425 1
1 357 . 11 1 1 A 39 39 HIS HA H 39 4.675 4.718 -0.043 1
1 362 . 11 1 1 A 39 39 HIS C C 39 178.476 176.679 1.797 1
1 363 . 11 1 1 A 39 39 HIS CA C 39 59.297 56.445 2.852 1
1 364 . 11 1 1 A 39 39 HIS CB C 39 30.980 30.777 0.203 1
1 367 . 11 1 1 A 39 39 HIS N N 39 120.015 120.594 -0.579 1
1 368 . 11 1 1 A 40 40 ARG H H 40 9.256 9.322 -0.066 1
1 369 . 11 1 1 A 40 40 ARG HA H 40 3.965 4.173 -0.208 1
1 376 . 11 1 1 A 40 40 ARG C C 40 179.459 177.403 2.056 1
1 377 . 11 1 1 A 40 40 ARG CA C 40 60.547 58.495 2.052 1
1 378 . 11 1 1 A 40 40 ARG CB C 40 29.598 30.320 -0.722 1
1 381 . 11 1 1 A 40 40 ARG N N 40 126.206 122.861 3.345 1
1 382 . 11 1 1 A 41 41 SER H H 41 8.643 7.819 0.824 1
1 383 . 11 1 1 A 41 41 SER HA H 41 4.221 4.525 -0.304 1
1 386 . 11 1 1 A 41 41 SER C C 41 175.499 176.525 -1.026 1
1 387 . 11 1 1 A 41 41 SER CA C 41 60.160 60.766 -0.606 1
1 388 . 11 1 1 A 41 41 SER CB C 41 62.847 63.622 -0.775 1
1 389 . 11 1 1 A 41 41 SER N N 41 109.970 114.837 -4.867 1
1 390 . 11 1 1 A 42 42 CYS H H 42 7.427 8.387 -0.960 1
1 391 . 11 1 1 A 42 42 CYS HA H 42 4.306 4.215 0.091 1
1 394 . 11 1 1 A 42 42 CYS C C 42 174.200 175.359 -1.159 1
1 395 . 11 1 1 A 42 42 CYS CA C 42 61.569 63.237 -1.668 1
1 396 . 11 1 1 A 42 42 CYS CB C 42 30.945 27.855 3.090 1
1 397 . 11 1 1 A 42 42 CYS N N 42 118.020 119.571 -1.551 1
1 398 . 11 1 1 A 43 43 PHE H H 43 7.257 7.484 -0.227 1
1 399 . 11 1 1 A 43 43 PHE HA H 43 4.122 4.445 -0.323 1
1 407 . 11 1 1 A 43 43 PHE C C 43 172.037 173.907 -1.870 1
1 408 . 11 1 1 A 43 43 PHE CA C 43 57.112 57.259 -0.147 1
1 409 . 11 1 1 A 43 43 PHE CB C 43 37.448 38.672 -1.224 1
1 415 . 11 1 1 A 43 43 PHE N N 43 122.965 122.382 0.583 1
1 416 . 11 1 1 A 44 44 ARG H H 44 7.110 7.901 -0.791 1
1 417 . 11 1 1 A 44 44 ARG HA H 44 4.821 4.653 0.168 1
1 424 . 11 1 1 A 44 44 ARG C C 44 174.097 174.086 0.011 1
1 425 . 11 1 1 A 44 44 ARG CA C 44 53.323 53.810 -0.487 1
1 426 . 11 1 1 A 44 44 ARG CB C 44 34.911 33.351 1.560 1
1 429 . 11 1 1 A 44 44 ARG N N 44 123.199 123.213 -0.014 1
1 430 . 11 1 1 A 45 45 CYS H H 45 8.580 8.670 -0.090 1
1 431 . 11 1 1 A 45 45 CYS HA H 45 4.055 4.405 -0.350 1
1 434 . 11 1 1 A 45 45 CYS C C 45 177.493 175.393 2.100 1
1 435 . 11 1 1 A 45 45 CYS CA C 45 59.878 59.806 0.072 1
1 436 . 11 1 1 A 45 45 CYS CB C 45 32.052 28.858 3.194 1
1 437 . 11 1 1 A 45 45 CYS N N 45 121.527 120.028 1.499 1
1 438 . 11 1 1 A 46 46 HIS H H 46 9.187 8.670 0.517 1
1 439 . 11 1 1 A 46 46 HIS HA H 46 4.184 4.634 -0.450 1
1 443 . 11 1 1 A 46 46 HIS C C 46 175.000 176.457 -1.457 1
1 444 . 11 1 1 A 46 46 HIS CA C 46 59.137 57.252 1.885 1
1 445 . 11 1 1 A 46 46 HIS CB C 46 29.560 30.683 -1.123 1
1 447 . 11 1 1 A 46 46 HIS N N 46 130.205 125.677 4.528 1
1 448 . 11 1 1 A 47 47 THR H H 47 8.848 7.633 1.215 1
1 449 . 11 1 1 A 47 47 THR HA H 47 4.134 4.389 -0.255 1
1 454 . 11 1 1 A 47 47 THR C C 47 174.926 175.960 -1.034 1
1 455 . 11 1 1 A 47 47 THR CA C 47 65.535 63.694 1.841 1
1 456 . 11 1 1 A 47 47 THR CB C 47 70.010 70.583 -0.573 1
1 458 . 11 1 1 A 47 47 THR N N 47 116.066 111.755 4.311 1
1 459 . 11 1 1 A 48 48 CYS H H 48 8.181 8.185 -0.004 1
1 460 . 11 1 1 A 48 48 CYS HA H 48 4.821 4.566 0.255 1
1 463 . 11 1 1 A 48 48 CYS C C 48 176.004 174.678 1.326 1
1 464 . 11 1 1 A 48 48 CYS CA C 48 59.050 58.302 0.748 1
1 465 . 11 1 1 A 48 48 CYS CB C 48 32.944 29.210 3.734 1
1 466 . 11 1 1 A 48 48 CYS N N 48 119.626 116.024 3.602 1
1 467 . 11 1 1 A 49 49 GLU H H 49 8.081 7.996 0.085 1
1 468 . 11 1 1 A 49 49 GLU HA H 49 3.865 4.176 -0.311 1
1 473 . 11 1 1 A 49 49 GLU C C 49 174.137 174.644 -0.507 1
1 474 . 11 1 1 A 49 49 GLU CA C 49 58.732 57.475 1.257 1
1 475 . 11 1 1 A 49 49 GLU CB C 49 27.345 27.016 0.329 1
1 477 . 11 1 1 A 49 49 GLU N N 49 116.307 116.825 -0.518 1
1 478 . 11 1 1 A 50 50 ALA H H 50 8.498 7.772 0.726 1
1 479 . 11 1 1 A 50 50 ALA HA H 50 4.388 4.598 -0.210 1
1 483 . 11 1 1 A 50 50 ALA C C 50 178.362 176.817 1.545 1
1 484 . 11 1 1 A 50 50 ALA CA C 50 53.111 50.407 2.704 1
1 485 . 11 1 1 A 50 50 ALA CB C 50 20.334 20.582 -0.248 1
1 486 . 11 1 1 A 50 50 ALA N N 50 124.211 120.855 3.356 1
1 487 . 11 1 1 A 51 51 THR H H 51 8.470 8.488 -0.018 1
1 488 . 11 1 1 A 51 51 THR HA H 51 3.811 4.048 -0.237 1
1 493 . 11 1 1 A 51 51 THR C C 51 173.931 173.698 0.233 1
1 494 . 11 1 1 A 51 51 THR CA C 51 64.345 63.908 0.437 1
1 495 . 11 1 1 A 51 51 THR CB C 51 69.428 68.449 0.979 1
1 497 . 11 1 1 A 51 51 THR N N 51 117.025 117.833 -0.808 1
1 498 . 11 1 1 A 52 52 LEU H H 52 7.421 8.215 -0.794 1
1 499 . 11 1 1 A 52 52 LEU HA H 52 4.439 4.490 -0.051 1
1 509 . 11 1 1 A 52 52 LEU C C 52 175.390 175.777 -0.387 1
1 510 . 11 1 1 A 52 52 LEU CA C 52 53.728 54.016 -0.288 1
1 511 . 11 1 1 A 52 52 LEU CB C 52 42.020 40.425 1.595 1
1 515 . 11 1 1 A 52 52 LEU N N 52 125.339 127.546 -2.207 1
1 516 . 11 1 1 A 53 53 TRP H H 53 8.089 8.024 0.065 1
1 517 . 11 1 1 A 53 53 TRP HA H 53 5.148 4.757 0.391 1
1 526 . 11 1 1 A 53 53 TRP C C 53 173.534 176.805 -3.271 1
1 527 . 11 1 1 A 53 53 TRP CA C 53 54.345 56.695 -2.350 1
1 528 . 11 1 1 A 53 53 TRP CB C 53 30.134 29.234 0.900 1
1 534 . 11 1 1 A 53 53 TRP N N 53 120.731 126.617 -5.886 1
1 536 . 11 1 1 A 54 54 PRO HA H 54 4.553 4.659 -0.106 1
1 543 . 11 1 1 A 54 54 PRO CA C 54 64.882 64.182 0.700 1
1 544 . 11 1 1 A 54 54 PRO CB C 54 31.969 31.527 0.442 1
1 547 . 11 1 1 A 55 55 GLY HA2 H 55 4.330 4.166 0.164 1
1 548 . 11 1 1 A 55 55 GLY HA3 H 55 3.795 4.190 -0.395 1
1 549 . 11 1 1 A 55 55 GLY C C 55 175.195 174.013 1.182 1
1 550 . 11 1 1 A 55 55 GLY CA C 55 45.586 45.800 -0.214 1
1 551 . 11 1 1 A 56 56 GLY H H 56 8.653 7.423 1.230 1
1 552 . 11 1 1 A 56 56 GLY HA2 H 56 4.567 4.239 0.328 1
1 553 . 11 1 1 A 56 56 GLY HA3 H 56 3.380 4.305 -0.925 1
1 554 . 11 1 1 A 56 56 GLY C C 56 174.377 173.032 1.345 1
1 555 . 11 1 1 A 56 56 GLY CA C 56 45.237 45.836 -0.599 1
1 556 . 11 1 1 A 56 56 GLY N N 56 107.803 107.307 0.496 1
1 557 . 11 1 1 A 57 57 TYR H H 57 7.269 7.922 -0.653 1
1 558 . 11 1 1 A 57 57 TYR HA H 57 5.600 5.286 0.314 1
1 565 . 11 1 1 A 57 57 TYR C C 57 173.258 173.476 -0.218 1
1 566 . 11 1 1 A 57 57 TYR CA C 57 55.666 56.391 -0.725 1
1 567 . 11 1 1 A 57 57 TYR CB C 57 44.451 40.819 3.632 1
1 572 . 11 1 1 A 57 57 TYR N N 57 116.315 116.222 0.093 1
1 573 . 11 1 1 A 58 58 GLU H H 58 8.948 8.981 -0.033 1
1 574 . 11 1 1 A 58 58 GLU HA H 58 4.546 4.698 -0.152 1
1 579 . 11 1 1 A 58 58 GLU C C 58 174.242 174.585 -0.343 1
1 580 . 11 1 1 A 58 58 GLU CA C 58 55.790 55.211 0.579 1
1 581 . 11 1 1 A 58 58 GLU CB C 58 35.177 34.686 0.491 1
1 583 . 11 1 1 A 58 58 GLU N N 58 117.931 119.197 -1.266 1
1 584 . 11 1 1 A 59 59 GLN H H 59 9.205 8.882 0.323 1
1 585 . 11 1 1 A 59 59 GLN HA H 59 4.760 4.925 -0.165 1
1 592 . 11 1 1 A 59 59 GLN C C 59 175.807 175.217 0.590 1
1 593 . 11 1 1 A 59 59 GLN CA C 59 53.904 54.258 -0.354 1
1 594 . 11 1 1 A 59 59 GLN CB C 59 29.530 29.634 -0.104 1
1 596 . 11 1 1 A 59 59 GLN N N 59 123.928 123.522 0.406 1
1 598 . 11 1 1 A 60 60 HIS H H 60 9.330 8.931 0.399 1
1 599 . 11 1 1 A 60 60 HIS HA H 60 4.945 4.411 0.534 1
1 604 . 11 1 1 A 60 60 HIS C C 60 175.428 175.586 -0.158 1
1 605 . 11 1 1 A 60 60 HIS CA C 60 54.556 55.128 -0.572 1
1 606 . 11 1 1 A 60 60 HIS CB C 60 32.329 31.067 1.262 1
1 609 . 11 1 1 A 60 60 HIS N N 60 131.634 127.509 4.125 1
1 610 . 11 1 1 A 61 61 PRO HA H 61 4.269 4.222 0.047 1
1 617 . 11 1 1 A 61 61 PRO CA C 61 64.043 64.604 -0.561 1
1 618 . 11 1 1 A 61 61 PRO CB C 61 31.752 31.764 -0.012 1
1 621 . 11 1 1 A 62 62 GLY H H 62 7.210 8.034 -0.824 1
1 622 . 11 1 1 A 62 62 GLY HA2 H 62 3.928 3.767 0.161 1
1 623 . 11 1 1 A 62 62 GLY HA3 H 62 3.666 3.945 -0.279 1
1 624 . 11 1 1 A 62 62 GLY CA C 62 46.610 47.173 -0.563 1
1 625 . 11 1 1 A 62 62 GLY N N 62 105.065 106.054 -0.989 1
1 626 . 11 1 1 A 63 63 ASP H H 63 8.237 7.910 0.327 1
1 627 . 11 1 1 A 63 63 ASP HA H 63 4.648 4.733 -0.085 1
1 630 . 11 1 1 A 63 63 ASP C C 63 177.303 176.377 0.926 1
1 631 . 11 1 1 A 63 63 ASP CA C 63 53.182 55.490 -2.308 1
1 632 . 11 1 1 A 63 63 ASP CB C 63 42.216 41.841 0.375 1
1 633 . 11 1 1 A 63 63 ASP N N 63 118.685 122.074 -3.389 1
1 634 . 11 1 1 A 64 64 GLY H H 64 8.315 7.851 0.464 1
1 635 . 11 1 1 A 64 64 GLY HA2 H 64 3.900 3.954 -0.054 1
1 636 . 11 1 1 A 64 64 GLY HA3 H 64 3.635 3.964 -0.329 1
1 637 . 11 1 1 A 64 64 GLY C C 64 174.457 173.668 0.789 1
1 638 . 11 1 1 A 64 64 GLY CA C 64 46.004 45.538 0.466 1
1 639 . 11 1 1 A 64 64 GLY N N 64 109.742 106.850 2.892 1
1 640 . 11 1 1 A 65 65 HIS H H 65 9.101 7.927 1.174 1
1 641 . 11 1 1 A 65 65 HIS HA H 65 4.675 4.959 -0.284 1
1 645 . 11 1 1 A 65 65 HIS C C 65 173.603 173.464 0.139 1
1 646 . 11 1 1 A 65 65 HIS CA C 65 55.208 54.389 0.819 1
1 647 . 11 1 1 A 65 65 HIS CB C 65 30.321 34.241 -3.920 1
1 649 . 11 1 1 A 65 65 HIS N N 65 121.111 116.809 4.302 1
1 650 . 11 1 1 A 66 66 PHE H H 66 8.841 8.455 0.386 1
1 651 . 11 1 1 A 66 66 PHE HA H 66 5.005 5.256 -0.251 1
1 659 . 11 1 1 A 66 66 PHE C C 66 174.272 174.214 0.058 1
1 660 . 11 1 1 A 66 66 PHE CA C 66 57.904 56.110 1.794 1
1 661 . 11 1 1 A 66 66 PHE CB C 66 40.990 41.503 -0.513 1
1 667 . 11 1 1 A 66 66 PHE N N 66 118.465 117.566 0.899 1
1 668 . 11 1 1 A 67 67 TYR H H 67 8.714 9.134 -0.420 1
1 669 . 11 1 1 A 67 67 TYR HA H 67 5.676 5.167 0.509 1
1 676 . 11 1 1 A 67 67 TYR C C 67 176.345 175.793 0.552 1
1 677 . 11 1 1 A 67 67 TYR CA C 67 56.829 56.483 0.346 1
1 678 . 11 1 1 A 67 67 TYR CB C 67 43.668 43.336 0.332 1
1 683 . 11 1 1 A 67 67 TYR N N 67 117.828 120.804 -2.976 1
1 684 . 11 1 1 A 68 68 CYS H H 68 9.524 8.669 0.855 1
1 685 . 11 1 1 A 68 68 CYS HA H 68 5.152 4.895 0.257 1
1 688 . 11 1 1 A 68 68 CYS C C 68 176.563 176.392 0.171 1
1 689 . 11 1 1 A 68 68 CYS CA C 68 58.468 58.127 0.341 1
1 690 . 11 1 1 A 68 68 CYS CB C 68 29.373 29.468 -0.095 1
1 691 . 11 1 1 A 68 68 CYS N N 68 120.631 120.425 0.206 1
1 692 . 11 1 1 A 69 69 LEU H H 69 7.630 8.742 -1.112 1
1 693 . 11 1 1 A 69 69 LEU HA H 69 3.952 4.382 -0.430 1
1 703 . 11 1 1 A 69 69 LEU C C 69 179.373 176.779 2.594 1
1 704 . 11 1 1 A 69 69 LEU CA C 69 58.080 55.269 2.811 1
1 705 . 11 1 1 A 69 69 LEU CB C 69 40.125 41.322 -1.197 1
1 709 . 11 1 1 A 69 69 LEU N N 69 117.279 122.067 -4.788 1
1 710 . 11 1 1 A 70 70 GLN H H 70 8.159 8.291 -0.132 1
1 711 . 11 1 1 A 70 70 GLN HA H 70 4.106 4.663 -0.557 1
1 718 . 11 1 1 A 70 70 GLN C C 70 177.094 177.027 0.067 1
1 719 . 11 1 1 A 70 70 GLN CA C 70 57.781 56.173 1.608 1
1 720 . 11 1 1 A 70 70 GLN CB C 70 28.537 31.001 -2.464 1
1 722 . 11 1 1 A 70 70 GLN N N 70 115.749 119.216 -3.467 1
1 724 . 11 1 1 A 71 71 HIS H H 71 7.651 7.716 -0.065 1
1 725 . 11 1 1 A 71 71 HIS HA H 71 4.917 4.748 0.169 1
1 730 . 11 1 1 A 71 71 HIS C C 71 173.431 174.922 -1.491 1
1 731 . 11 1 1 A 71 71 HIS CA C 71 56.142 56.020 0.122 1
1 732 . 11 1 1 A 71 71 HIS CB C 71 33.010 31.698 1.312 1
1 735 . 11 1 1 A 71 71 HIS N N 71 116.846 115.587 1.259 1
1 736 . 11 1 1 A 72 72 LEU H H 72 7.154 7.503 -0.349 1
1 737 . 11 1 1 A 72 72 LEU HA H 72 3.772 4.197 -0.425 1
1 747 . 11 1 1 A 72 72 LEU C C 72 174.748 175.103 -0.355 1
1 748 . 11 1 1 A 72 72 LEU CA C 72 53.499 53.339 0.160 1
1 749 . 11 1 1 A 72 72 LEU CB C 72 42.729 43.105 -0.376 1
1 753 . 11 1 1 A 72 72 LEU N N 72 124.029 121.913 2.116 1
1 754 . 11 1 1 A 73 73 PRO HA H 73 4.145 4.438 -0.293 1
1 761 . 11 1 1 A 73 73 PRO C C 73 175.785 175.383 0.402 1
1 762 . 11 1 1 A 73 73 PRO CA C 73 63.050 62.099 0.951 1
1 763 . 11 1 1 A 73 73 PRO CB C 73 32.055 32.585 -0.530 1
1 766 . 11 1 1 A 74 74 GLN H H 74 8.359 8.498 -0.139 1
1 767 . 11 1 1 A 74 74 GLN HA H 74 4.386 5.095 -0.709 1
1 774 . 11 1 1 A 74 74 GLN C C 74 176.731 174.476 2.255 1
1 775 . 11 1 1 A 74 74 GLN CA C 74 55.526 54.624 0.902 1
1 776 . 11 1 1 A 74 74 GLN CB C 74 29.817 32.965 -3.148 1
1 778 . 11 1 1 A 74 74 GLN N N 74 120.467 118.499 1.968 1
1 780 . 11 1 1 A 75 75 THR H H 75 8.368 8.959 -0.591 1
1 781 . 11 1 1 A 75 75 THR HA H 75 4.390 4.732 -0.342 1
1 786 . 11 1 1 A 75 75 THR C C 75 174.257 174.764 -0.507 1
1 787 . 11 1 1 A 75 75 THR CA C 75 61.993 60.720 1.273 1
1 788 . 11 1 1 A 75 75 THR CB C 75 69.991 70.557 -0.566 1
1 790 . 11 1 1 A 75 75 THR N N 75 116.318 118.768 -2.450 1
1 791 . 11 1 1 A 76 76 ASP H H 76 8.528 8.559 -0.031 1
1 792 . 11 1 1 A 76 76 ASP HA H 76 4.700 4.936 -0.236 1
1 795 . 11 1 1 A 76 76 ASP C C 76 176.200 176.728 -0.528 1
1 796 . 11 1 1 A 76 76 ASP CA C 76 54.363 53.285 1.078 1
1 797 . 11 1 1 A 76 76 ASP CB C 76 41.362 40.317 1.045 1
1 798 . 11 1 1 A 76 76 ASP N N 76 123.204 125.141 -1.937 1
1 799 . 11 1 1 A 77 77 SER H H 77 8.346 8.030 0.316 1
1 800 . 11 1 1 A 77 77 SER HA H 77 4.497 4.617 -0.120 1
1 803 . 11 1 1 A 77 77 SER C C 77 174.724 176.068 -1.344 1
1 804 . 11 1 1 A 77 77 SER CA C 77 58.451 58.632 -0.181 1
1 805 . 11 1 1 A 77 77 SER CB C 77 64.101 64.703 -0.602 1
1 806 . 11 1 1 A 77 77 SER N N 77 116.515 113.434 3.081 1
1 807 . 11 1 1 A 78 78 GLY H H 78 8.330 8.524 -0.194 1
1 808 . 11 1 1 A 78 78 GLY HA2 H 78 4.135 3.685 0.450 1
1 809 . 11 1 1 A 78 78 GLY HA3 H 78 4.135 3.685 0.450 1
1 810 . 11 1 1 A 78 78 GLY C C 78 171.883 174.899 -3.016 1
1 811 . 11 1 1 A 78 78 GLY CA C 78 44.745 47.681 -2.936 1
1 812 . 11 1 1 A 78 78 GLY N N 78 110.837 109.246 1.591 1
1 813 . 11 1 1 A 79 79 PRO HA H 79 4.501 4.342 0.159 1
1 820 . 11 1 1 A 79 79 PRO C C 79 177.463 177.545 -0.082 1
1 821 . 11 1 1 A 79 79 PRO CA C 79 63.332 64.364 -1.032 1
1 822 . 11 1 1 A 79 79 PRO CB C 79 32.229 31.694 0.535 1
1 825 . 11 1 1 A 80 80 SER H H 80 8.531 8.145 0.386 1
1 826 . 11 1 1 A 80 80 SER HA H 80 4.521 4.176 0.345 1
1 829 . 11 1 1 A 80 80 SER C C 80 174.760 174.256 0.504 1
1 830 . 11 1 1 A 80 80 SER CA C 80 58.398 59.003 -0.605 1
1 831 . 11 1 1 A 80 80 SER CB C 80 63.978 60.936 3.042 1
1 832 . 11 1 1 A 80 80 SER N N 80 116.479 113.974 2.505 1
1 833 . 11 1 1 A 81 81 SER H H 81 8.358 8.176 0.182 1
1 834 . 11 1 1 A 81 81 SER HA H 81 4.530 4.203 0.327 1
1 837 . 11 1 1 A 81 81 SER C C 81 173.982 174.743 -0.761 1
1 838 . 11 1 1 A 81 81 SER CA C 81 58.416 61.294 -2.878 1
1 839 . 11 1 1 A 81 81 SER CB C 81 64.082 63.449 0.633 1
1 840 . 11 1 1 A 81 81 SER N N 81 117.964 115.967 1.997 1
1 1 . 12 1 1 A 9 9 HIS HA H 9 4.627 5.109 -0.482 1
1 5 . 12 1 1 A 9 9 HIS C C 9 175.239 174.761 0.478 1
1 6 . 12 1 1 A 9 9 HIS CA C 9 56.347 54.237 2.110 1
1 7 . 12 1 1 A 9 9 HIS CB C 9 30.681 31.622 -0.941 1
1 9 . 12 1 1 A 10 10 GLN H H 10 8.313 8.751 -0.438 1
1 10 . 12 1 1 A 10 10 GLN HA H 10 4.323 4.413 -0.090 1
1 17 . 12 1 1 A 10 10 GLN C C 10 175.703 175.317 0.386 1
1 18 . 12 1 1 A 10 10 GLN CA C 10 55.875 56.385 -0.510 1
1 19 . 12 1 1 A 10 10 GLN CB C 10 29.726 29.928 -0.202 1
1 21 . 12 1 1 A 10 10 GLN N N 10 122.031 124.460 -2.429 1
1 23 . 12 1 1 A 11 11 GLU H H 11 8.546 8.696 -0.150 1
1 24 . 12 1 1 A 11 11 GLU HA H 11 4.275 4.988 -0.713 1
1 29 . 12 1 1 A 11 11 GLU C C 11 176.303 174.413 1.890 1
1 30 . 12 1 1 A 11 11 GLU CA C 11 56.472 55.139 1.333 1
1 31 . 12 1 1 A 11 11 GLU CB C 11 30.303 33.772 -3.469 1
1 33 . 12 1 1 A 11 11 GLU N N 11 122.648 121.899 0.749 1
1 34 . 12 1 1 A 12 12 ALA H H 12 8.403 8.441 -0.038 1
1 35 . 12 1 1 A 12 12 ALA HA H 12 4.288 4.993 -0.705 1
1 39 . 12 1 1 A 12 12 ALA C C 12 178.231 177.546 0.685 1
1 40 . 12 1 1 A 12 12 ALA CA C 12 52.759 50.742 2.017 1
1 41 . 12 1 1 A 12 12 ALA CB C 12 19.237 22.334 -3.097 1
1 42 . 12 1 1 A 12 12 ALA N N 12 125.516 124.145 1.371 1
1 43 . 12 1 1 A 13 13 GLY H H 13 8.490 8.268 0.222 1
1 44 . 12 1 1 A 13 13 GLY HA2 H 13 3.994 3.961 0.033 1
1 45 . 12 1 1 A 13 13 GLY HA3 H 13 3.890 3.962 -0.072 1
1 46 . 12 1 1 A 13 13 GLY C C 13 174.176 173.553 0.623 1
1 47 . 12 1 1 A 13 13 GLY CA C 13 45.094 46.301 -1.207 1
1 48 . 12 1 1 A 13 13 GLY N N 13 108.839 106.123 2.716 1
1 49 . 12 1 1 A 14 14 ALA H H 14 8.172 8.182 -0.010 1
1 50 . 12 1 1 A 14 14 ALA HA H 14 4.246 4.917 -0.671 1
1 54 . 12 1 1 A 14 14 ALA C C 14 178.304 176.907 1.397 1
1 55 . 12 1 1 A 14 14 ALA CA C 14 52.988 50.339 2.649 1
1 56 . 12 1 1 A 14 14 ALA CB C 14 19.228 22.289 -3.061 1
1 57 . 12 1 1 A 14 14 ALA N N 14 123.459 125.664 -2.205 1
1 58 . 12 1 1 A 15 15 GLY H H 15 8.329 8.440 -0.111 1
1 59 . 12 1 1 A 15 15 GLY HA2 H 15 3.578 4.195 -0.617 1
1 60 . 12 1 1 A 15 15 GLY HA3 H 15 3.578 4.209 -0.631 1
1 61 . 12 1 1 A 15 15 GLY C C 15 173.577 173.064 0.513 1
1 62 . 12 1 1 A 15 15 GLY CA C 15 45.128 45.882 -0.754 1
1 63 . 12 1 1 A 15 15 GLY N N 15 107.276 109.749 -2.473 1
1 64 . 12 1 1 A 16 16 ASP H H 16 7.898 7.809 0.089 1
1 65 . 12 1 1 A 16 16 ASP HA H 16 4.547 4.645 -0.098 1
1 68 . 12 1 1 A 16 16 ASP C C 16 174.898 174.330 0.568 1
1 69 . 12 1 1 A 16 16 ASP CA C 16 54.344 52.972 1.372 1
1 70 . 12 1 1 A 16 16 ASP CB C 16 41.534 41.173 0.361 1
1 71 . 12 1 1 A 16 16 ASP N N 16 118.642 120.116 -1.474 1
1 72 . 12 1 1 A 17 17 LEU H H 17 7.822 8.019 -0.197 1
1 73 . 12 1 1 A 17 17 LEU HA H 17 4.446 4.897 -0.451 1
1 83 . 12 1 1 A 17 17 LEU C C 17 175.902 175.737 0.165 1
1 84 . 12 1 1 A 17 17 LEU CA C 17 53.128 53.095 0.033 1
1 85 . 12 1 1 A 17 17 LEU CB C 17 44.656 45.449 -0.793 1
1 89 . 12 1 1 A 17 17 LEU N N 17 119.654 124.461 -4.807 1
1 90 . 12 1 1 A 18 18 CYS H H 18 8.080 8.301 -0.221 1
1 91 . 12 1 1 A 18 18 CYS HA H 18 4.248 3.970 0.278 1
1 94 . 12 1 1 A 18 18 CYS C C 18 177.466 176.386 1.080 1
1 95 . 12 1 1 A 18 18 CYS CA C 18 58.398 59.488 -1.090 1
1 96 . 12 1 1 A 18 18 CYS CB C 18 31.990 28.071 3.919 1
1 97 . 12 1 1 A 18 18 CYS N N 18 123.013 124.533 -1.520 1
1 98 . 12 1 1 A 19 19 ALA H H 19 9.211 8.161 1.050 1
1 99 . 12 1 1 A 19 19 ALA HA H 19 4.172 4.404 -0.232 1
1 103 . 12 1 1 A 19 19 ALA C C 19 177.724 177.936 -0.212 1
1 104 . 12 1 1 A 19 19 ALA CA C 19 54.327 51.663 2.664 1
1 105 . 12 1 1 A 19 19 ALA CB C 19 18.662 19.038 -0.376 1
1 106 . 12 1 1 A 19 19 ALA N N 19 132.258 129.282 2.976 1
1 107 . 12 1 1 A 20 20 LEU H H 20 8.911 7.109 1.802 1
1 108 . 12 1 1 A 20 20 LEU HA H 20 4.736 4.394 0.342 1
1 118 . 12 1 1 A 20 20 LEU C C 20 177.779 178.416 -0.637 1
1 119 . 12 1 1 A 20 20 LEU CA C 20 56.935 56.740 0.195 1
1 120 . 12 1 1 A 20 20 LEU CB C 20 43.750 43.723 0.027 1
1 124 . 12 1 1 A 20 20 LEU N N 20 119.770 117.294 2.476 1
1 125 . 12 1 1 A 21 21 CYS H H 21 8.159 8.061 0.098 1
1 126 . 12 1 1 A 21 21 CYS HA H 21 4.962 4.628 0.334 1
1 129 . 12 1 1 A 21 21 CYS C C 21 176.947 175.782 1.165 1
1 130 . 12 1 1 A 21 21 CYS CA C 21 59.137 59.530 -0.393 1
1 131 . 12 1 1 A 21 21 CYS CB C 21 31.728 29.838 1.890 1
1 132 . 12 1 1 A 21 21 CYS N N 21 116.713 113.424 3.289 1
1 133 . 12 1 1 A 22 22 GLY H H 22 8.088 8.559 -0.471 1
1 134 . 12 1 1 A 22 22 GLY HA2 H 22 4.160 3.922 0.238 1
1 135 . 12 1 1 A 22 22 GLY HA3 H 22 3.865 3.949 -0.084 1
1 136 . 12 1 1 A 22 22 GLY C C 22 173.190 174.052 -0.862 1
1 137 . 12 1 1 A 22 22 GLY CA C 22 46.556 46.201 0.355 1
1 138 . 12 1 1 A 22 22 GLY N N 22 112.000 110.617 1.383 1
1 139 . 12 1 1 A 23 23 GLU H H 23 8.378 7.993 0.385 1
1 140 . 12 1 1 A 23 23 GLU HA H 23 4.712 4.838 -0.126 1
1 145 . 12 1 1 A 23 23 GLU C C 23 176.434 175.708 0.726 1
1 146 . 12 1 1 A 23 23 GLU CA C 23 55.014 54.531 0.483 1
1 147 . 12 1 1 A 23 23 GLU CB C 23 31.557 32.690 -1.133 1
1 149 . 12 1 1 A 23 23 GLU N N 23 118.877 119.172 -0.295 1
1 150 . 12 1 1 A 24 24 HIS H H 24 8.666 8.834 -0.168 1
1 151 . 12 1 1 A 24 24 HIS HA H 24 4.333 4.517 -0.184 1
1 156 . 12 1 1 A 24 24 HIS C C 24 175.281 174.128 1.153 1
1 157 . 12 1 1 A 24 24 HIS CA C 24 58.186 57.928 0.258 1
1 158 . 12 1 1 A 24 24 HIS CB C 24 30.099 30.701 -0.602 1
1 161 . 12 1 1 A 24 24 HIS N N 24 118.732 121.950 -3.218 1
1 162 . 12 1 1 A 25 25 LEU H H 25 7.928 8.089 -0.161 1
1 163 . 12 1 1 A 25 25 LEU HA H 25 4.174 5.253 -1.079 1
1 173 . 12 1 1 A 25 25 LEU C C 25 175.186 174.909 0.277 1
1 174 . 12 1 1 A 25 25 LEU CA C 25 53.992 53.700 0.292 1
1 175 . 12 1 1 A 25 25 LEU CB C 25 43.742 44.377 -0.635 1
1 179 . 12 1 1 A 25 25 LEU N N 25 125.590 126.872 -1.282 1
1 180 . 12 1 1 A 26 26 TYR H H 26 8.768 9.155 -0.387 1
1 181 . 12 1 1 A 26 26 TYR HA H 26 4.651 4.998 -0.347 1
1 188 . 12 1 1 A 26 26 TYR C C 26 177.267 176.426 0.841 1
1 189 . 12 1 1 A 26 26 TYR CA C 26 57.270 57.141 0.129 1
1 190 . 12 1 1 A 26 26 TYR CB C 26 38.210 40.402 -2.192 1
1 195 . 12 1 1 A 26 26 TYR N N 26 123.119 125.653 -2.534 1
1 196 . 12 1 1 A 27 27 VAL H H 27 8.086 8.081 0.005 1
1 197 . 12 1 1 A 27 27 VAL HA H 27 3.809 3.819 -0.010 1
1 205 . 12 1 1 A 27 27 VAL C C 27 176.958 176.363 0.595 1
1 206 . 12 1 1 A 27 27 VAL CA C 27 64.551 64.402 0.149 1
1 207 . 12 1 1 A 27 27 VAL CB C 27 31.788 31.619 0.169 1
1 210 . 12 1 1 A 27 27 VAL N N 27 121.055 125.195 -4.140 1
1 211 . 12 1 1 A 28 28 LEU H H 28 7.665 7.502 0.163 1
1 212 . 12 1 1 A 28 28 LEU HA H 28 4.285 4.594 -0.309 1
1 222 . 12 1 1 A 28 28 LEU C C 28 177.710 176.980 0.730 1
1 223 . 12 1 1 A 28 28 LEU CA C 28 56.297 54.436 1.861 1
1 224 . 12 1 1 A 28 28 LEU CB C 28 41.998 42.569 -0.571 1
1 228 . 12 1 1 A 28 28 LEU N N 28 119.062 119.842 -0.780 1
1 229 . 12 1 1 A 29 29 GLU H H 29 7.961 8.169 -0.208 1
1 230 . 12 1 1 A 29 29 GLU HA H 29 4.479 4.612 -0.133 1
1 235 . 12 1 1 A 29 29 GLU C C 29 175.755 175.716 0.039 1
1 236 . 12 1 1 A 29 29 GLU CA C 29 56.248 55.813 0.435 1
1 237 . 12 1 1 A 29 29 GLU CB C 29 30.550 30.165 0.385 1
1 239 . 12 1 1 A 29 29 GLU N N 29 117.067 117.744 -0.677 1
1 240 . 12 1 1 A 30 30 ARG H H 30 7.724 7.816 -0.092 1
1 241 . 12 1 1 A 30 30 ARG HA H 30 4.688 5.179 -0.491 1
1 248 . 12 1 1 A 30 30 ARG C C 30 174.546 174.718 -0.172 1
1 249 . 12 1 1 A 30 30 ARG CA C 30 55.948 54.791 1.157 1
1 250 . 12 1 1 A 30 30 ARG CB C 30 33.034 33.195 -0.161 1
1 253 . 12 1 1 A 30 30 ARG N N 30 120.305 117.815 2.490 1
1 254 . 12 1 1 A 31 31 LEU H H 31 8.970 9.298 -0.328 1
1 255 . 12 1 1 A 31 31 LEU HA H 31 4.635 4.787 -0.152 1
1 265 . 12 1 1 A 31 31 LEU C C 31 174.536 175.308 -0.772 1
1 266 . 12 1 1 A 31 31 LEU CA C 31 54.168 53.631 0.537 1
1 267 . 12 1 1 A 31 31 LEU CB C 31 45.021 42.317 2.704 1
1 271 . 12 1 1 A 31 31 LEU N N 31 124.553 125.381 -0.828 1
1 272 . 12 1 1 A 32 32 CYS H H 32 8.558 8.593 -0.035 1
1 273 . 12 1 1 A 32 32 CYS HA H 32 4.954 4.040 0.914 1
1 276 . 12 1 1 A 32 32 CYS C C 32 174.418 173.812 0.606 1
1 277 . 12 1 1 A 32 32 CYS CA C 32 56.874 58.580 -1.706 1
1 278 . 12 1 1 A 32 32 CYS CB C 32 28.054 26.822 1.232 1
1 279 . 12 1 1 A 32 32 CYS N N 32 124.126 124.505 -0.379 1
1 280 . 12 1 1 A 33 33 VAL H H 33 8.893 9.028 -0.135 1
1 281 . 12 1 1 A 33 33 VAL HA H 33 4.103 4.443 -0.340 1
1 289 . 12 1 1 A 33 33 VAL C C 33 175.525 176.037 -0.512 1
1 290 . 12 1 1 A 33 33 VAL CA C 33 61.551 61.081 0.470 1
1 291 . 12 1 1 A 33 33 VAL CB C 33 34.027 33.340 0.687 1
1 294 . 12 1 1 A 33 33 VAL N N 33 129.037 125.659 3.378 1
1 295 . 12 1 1 A 34 34 ASN HA H 34 4.389 4.459 -0.070 1
1 300 . 12 1 1 A 34 34 ASN C C 34 174.946 175.267 -0.321 1
1 301 . 12 1 1 A 34 34 ASN CA C 34 53.922 54.647 -0.725 1
1 302 . 12 1 1 A 34 34 ASN CB C 34 37.332 37.323 0.009 1
1 304 . 12 1 1 A 35 35 GLY H H 35 7.896 8.116 -0.220 1
1 305 . 12 1 1 A 35 35 GLY HA2 H 35 3.891 3.608 0.283 1
1 306 . 12 1 1 A 35 35 GLY HA3 H 35 3.180 3.660 -0.480 1
1 307 . 12 1 1 A 35 35 GLY C C 35 172.892 174.069 -1.177 1
1 308 . 12 1 1 A 35 35 GLY CA C 35 45.290 44.963 0.327 1
1 309 . 12 1 1 A 35 35 GLY N N 35 102.630 104.980 -2.350 1
1 310 . 12 1 1 A 36 36 HIS H H 36 7.694 7.560 0.134 1
1 311 . 12 1 1 A 36 36 HIS HA H 36 4.433 4.411 0.022 1
1 315 . 12 1 1 A 36 36 HIS C C 36 172.910 174.678 -1.768 1
1 316 . 12 1 1 A 36 36 HIS CA C 36 54.433 56.107 -1.674 1
1 317 . 12 1 1 A 36 36 HIS CB C 36 32.464 30.644 1.820 1
1 319 . 12 1 1 A 36 36 HIS N N 36 119.651 118.767 0.884 1
1 320 . 12 1 1 A 37 37 PHE H H 37 8.502 9.011 -0.509 1
1 321 . 12 1 1 A 37 37 PHE HA H 37 5.314 5.328 -0.014 1
1 329 . 12 1 1 A 37 37 PHE C C 37 174.239 174.501 -0.262 1
1 330 . 12 1 1 A 37 37 PHE CA C 37 56.424 56.076 0.348 1
1 331 . 12 1 1 A 37 37 PHE CB C 37 41.572 41.455 0.117 1
1 337 . 12 1 1 A 37 37 PHE N N 37 119.583 121.407 -1.824 1
1 338 . 12 1 1 A 38 38 PHE H H 38 8.664 9.002 -0.338 1
1 339 . 12 1 1 A 38 38 PHE HA H 38 5.866 4.829 1.037 1
1 347 . 12 1 1 A 38 38 PHE C C 38 177.496 175.209 2.287 1
1 348 . 12 1 1 A 38 38 PHE CA C 38 55.296 56.525 -1.229 1
1 349 . 12 1 1 A 38 38 PHE CB C 38 44.392 42.769 1.623 1
1 355 . 12 1 1 A 38 38 PHE N N 38 116.719 119.717 -2.998 1
1 356 . 12 1 1 A 39 39 HIS H H 39 8.854 8.298 0.556 1
1 357 . 12 1 1 A 39 39 HIS HA H 39 4.675 4.797 -0.122 1
1 362 . 12 1 1 A 39 39 HIS C C 39 178.476 176.462 2.014 1
1 363 . 12 1 1 A 39 39 HIS CA C 39 59.297 56.947 2.350 1
1 364 . 12 1 1 A 39 39 HIS CB C 39 30.980 30.535 0.445 1
1 367 . 12 1 1 A 39 39 HIS N N 39 120.015 121.138 -1.123 1
1 368 . 12 1 1 A 40 40 ARG H H 40 9.256 9.351 -0.095 1
1 369 . 12 1 1 A 40 40 ARG HA H 40 3.965 4.164 -0.199 1
1 376 . 12 1 1 A 40 40 ARG C C 40 179.459 177.150 2.309 1
1 377 . 12 1 1 A 40 40 ARG CA C 40 60.547 58.304 2.243 1
1 378 . 12 1 1 A 40 40 ARG CB C 40 29.598 30.041 -0.443 1
1 381 . 12 1 1 A 40 40 ARG N N 40 126.206 123.734 2.472 1
1 382 . 12 1 1 A 41 41 SER H H 41 8.643 7.842 0.801 1
1 383 . 12 1 1 A 41 41 SER HA H 41 4.221 4.617 -0.396 1
1 386 . 12 1 1 A 41 41 SER C C 41 175.499 176.187 -0.688 1
1 387 . 12 1 1 A 41 41 SER CA C 41 60.160 59.416 0.744 1
1 388 . 12 1 1 A 41 41 SER CB C 41 62.847 64.345 -1.498 1
1 389 . 12 1 1 A 41 41 SER N N 41 109.970 113.571 -3.601 1
1 390 . 12 1 1 A 42 42 CYS H H 42 7.427 8.438 -1.011 1
1 391 . 12 1 1 A 42 42 CYS HA H 42 4.306 4.131 0.175 1
1 394 . 12 1 1 A 42 42 CYS C C 42 174.200 175.754 -1.554 1
1 395 . 12 1 1 A 42 42 CYS CA C 42 61.569 63.557 -1.988 1
1 396 . 12 1 1 A 42 42 CYS CB C 42 30.945 26.733 4.212 1
1 397 . 12 1 1 A 42 42 CYS N N 42 118.020 119.689 -1.669 1
1 398 . 12 1 1 A 43 43 PHE H H 43 7.257 7.604 -0.347 1
1 399 . 12 1 1 A 43 43 PHE HA H 43 4.122 4.282 -0.160 1
1 407 . 12 1 1 A 43 43 PHE C C 43 172.037 174.627 -2.590 1
1 408 . 12 1 1 A 43 43 PHE CA C 43 57.112 58.499 -1.387 1
1 409 . 12 1 1 A 43 43 PHE CB C 43 37.448 38.767 -1.319 1
1 415 . 12 1 1 A 43 43 PHE N N 43 122.965 121.798 1.167 1
1 416 . 12 1 1 A 44 44 ARG H H 44 7.110 8.267 -1.157 1
1 417 . 12 1 1 A 44 44 ARG HA H 44 4.821 4.889 -0.068 1
1 424 . 12 1 1 A 44 44 ARG C C 44 174.097 174.836 -0.739 1
1 425 . 12 1 1 A 44 44 ARG CA C 44 53.323 53.363 -0.040 1
1 426 . 12 1 1 A 44 44 ARG CB C 44 34.911 34.268 0.643 1
1 429 . 12 1 1 A 44 44 ARG N N 44 123.199 125.617 -2.418 1
1 430 . 12 1 1 A 45 45 CYS H H 45 8.580 8.481 0.099 1
1 431 . 12 1 1 A 45 45 CYS HA H 45 4.055 4.438 -0.383 1
1 434 . 12 1 1 A 45 45 CYS C C 45 177.493 175.098 2.395 1
1 435 . 12 1 1 A 45 45 CYS CA C 45 59.878 59.677 0.201 1
1 436 . 12 1 1 A 45 45 CYS CB C 45 32.052 28.924 3.128 1
1 437 . 12 1 1 A 45 45 CYS N N 45 121.527 121.149 0.378 1
1 438 . 12 1 1 A 46 46 HIS H H 46 9.187 8.576 0.611 1
1 439 . 12 1 1 A 46 46 HIS HA H 46 4.184 4.554 -0.370 1
1 443 . 12 1 1 A 46 46 HIS C C 46 175.000 176.142 -1.142 1
1 444 . 12 1 1 A 46 46 HIS CA C 46 59.137 57.054 2.083 1
1 445 . 12 1 1 A 46 46 HIS CB C 46 29.560 30.384 -0.824 1
1 447 . 12 1 1 A 46 46 HIS N N 46 130.205 125.120 5.085 1
1 448 . 12 1 1 A 47 47 THR H H 47 8.848 7.601 1.247 1
1 449 . 12 1 1 A 47 47 THR HA H 47 4.134 4.452 -0.318 1
1 454 . 12 1 1 A 47 47 THR C C 47 174.926 175.891 -0.965 1
1 455 . 12 1 1 A 47 47 THR CA C 47 65.535 63.407 2.128 1
1 456 . 12 1 1 A 47 47 THR CB C 47 70.010 70.831 -0.821 1
1 458 . 12 1 1 A 47 47 THR N N 47 116.066 111.856 4.210 1
1 459 . 12 1 1 A 48 48 CYS H H 48 8.181 8.155 0.026 1
1 460 . 12 1 1 A 48 48 CYS HA H 48 4.821 4.581 0.240 1
1 463 . 12 1 1 A 48 48 CYS C C 48 176.004 174.614 1.390 1
1 464 . 12 1 1 A 48 48 CYS CA C 48 59.050 58.205 0.845 1
1 465 . 12 1 1 A 48 48 CYS CB C 48 32.944 29.447 3.497 1
1 466 . 12 1 1 A 48 48 CYS N N 48 119.626 116.121 3.505 1
1 467 . 12 1 1 A 49 49 GLU H H 49 8.081 8.031 0.050 1
1 468 . 12 1 1 A 49 49 GLU HA H 49 3.865 4.173 -0.308 1
1 473 . 12 1 1 A 49 49 GLU C C 49 174.137 174.717 -0.580 1
1 474 . 12 1 1 A 49 49 GLU CA C 49 58.732 57.499 1.233 1
1 475 . 12 1 1 A 49 49 GLU CB C 49 27.345 27.193 0.152 1
1 477 . 12 1 1 A 49 49 GLU N N 49 116.307 116.867 -0.560 1
1 478 . 12 1 1 A 50 50 ALA H H 50 8.498 7.836 0.662 1
1 479 . 12 1 1 A 50 50 ALA HA H 50 4.388 4.594 -0.206 1
1 483 . 12 1 1 A 50 50 ALA C C 50 178.362 176.903 1.459 1
1 484 . 12 1 1 A 50 50 ALA CA C 50 53.111 50.500 2.611 1
1 485 . 12 1 1 A 50 50 ALA CB C 50 20.334 20.691 -0.357 1
1 486 . 12 1 1 A 50 50 ALA N N 50 124.211 120.721 3.490 1
1 487 . 12 1 1 A 51 51 THR H H 51 8.470 8.453 0.017 1
1 488 . 12 1 1 A 51 51 THR HA H 51 3.811 3.893 -0.082 1
1 493 . 12 1 1 A 51 51 THR C C 51 173.931 173.788 0.143 1
1 494 . 12 1 1 A 51 51 THR CA C 51 64.345 63.642 0.703 1
1 495 . 12 1 1 A 51 51 THR CB C 51 69.428 67.998 1.430 1
1 497 . 12 1 1 A 51 51 THR N N 51 117.025 116.762 0.263 1
1 498 . 12 1 1 A 52 52 LEU H H 52 7.421 7.907 -0.486 1
1 499 . 12 1 1 A 52 52 LEU HA H 52 4.439 4.344 0.095 1
1 509 . 12 1 1 A 52 52 LEU C C 52 175.390 176.006 -0.616 1
1 510 . 12 1 1 A 52 52 LEU CA C 52 53.728 54.825 -1.097 1
1 511 . 12 1 1 A 52 52 LEU CB C 52 42.020 40.721 1.299 1
1 515 . 12 1 1 A 52 52 LEU N N 52 125.339 127.508 -2.169 1
1 516 . 12 1 1 A 53 53 TRP H H 53 8.089 8.106 -0.017 1
1 517 . 12 1 1 A 53 53 TRP HA H 53 5.148 4.757 0.391 1
1 526 . 12 1 1 A 53 53 TRP C C 53 173.534 176.805 -3.271 1
1 527 . 12 1 1 A 53 53 TRP CA C 53 54.345 56.683 -2.338 1
1 528 . 12 1 1 A 53 53 TRP CB C 53 30.134 29.278 0.856 1
1 534 . 12 1 1 A 53 53 TRP N N 53 120.731 126.649 -5.918 1
1 536 . 12 1 1 A 54 54 PRO HA H 54 4.553 4.651 -0.098 1
1 543 . 12 1 1 A 54 54 PRO CA C 54 64.882 64.124 0.758 1
1 544 . 12 1 1 A 54 54 PRO CB C 54 31.969 31.561 0.408 1
1 547 . 12 1 1 A 55 55 GLY HA2 H 55 4.330 4.168 0.162 1
1 548 . 12 1 1 A 55 55 GLY HA3 H 55 3.795 4.183 -0.388 1
1 549 . 12 1 1 A 55 55 GLY C C 55 175.195 173.932 1.263 1
1 550 . 12 1 1 A 55 55 GLY CA C 55 45.586 45.776 -0.190 1
1 551 . 12 1 1 A 56 56 GLY H H 56 8.653 7.472 1.181 1
1 552 . 12 1 1 A 56 56 GLY HA2 H 56 4.567 4.232 0.335 1
1 553 . 12 1 1 A 56 56 GLY HA3 H 56 3.380 4.300 -0.920 1
1 554 . 12 1 1 A 56 56 GLY C C 56 174.377 172.847 1.530 1
1 555 . 12 1 1 A 56 56 GLY CA C 56 45.237 45.854 -0.617 1
1 556 . 12 1 1 A 56 56 GLY N N 56 107.803 107.062 0.741 1
1 557 . 12 1 1 A 57 57 TYR H H 57 7.269 8.006 -0.737 1
1 558 . 12 1 1 A 57 57 TYR HA H 57 5.600 5.317 0.283 1
1 565 . 12 1 1 A 57 57 TYR C C 57 173.258 173.841 -0.583 1
1 566 . 12 1 1 A 57 57 TYR CA C 57 55.666 56.392 -0.726 1
1 567 . 12 1 1 A 57 57 TYR CB C 57 44.451 41.116 3.335 1
1 572 . 12 1 1 A 57 57 TYR N N 57 116.315 115.960 0.355 1
1 573 . 12 1 1 A 58 58 GLU H H 58 8.948 9.052 -0.104 1
1 574 . 12 1 1 A 58 58 GLU HA H 58 4.546 4.690 -0.144 1
1 579 . 12 1 1 A 58 58 GLU C C 58 174.242 174.347 -0.105 1
1 580 . 12 1 1 A 58 58 GLU CA C 58 55.790 55.199 0.591 1
1 581 . 12 1 1 A 58 58 GLU CB C 58 35.177 34.237 0.940 1
1 583 . 12 1 1 A 58 58 GLU N N 58 117.931 119.583 -1.652 1
1 584 . 12 1 1 A 59 59 GLN H H 59 9.205 8.767 0.438 1
1 585 . 12 1 1 A 59 59 GLN HA H 59 4.760 5.024 -0.264 1
1 592 . 12 1 1 A 59 59 GLN C C 59 175.807 175.478 0.329 1
1 593 . 12 1 1 A 59 59 GLN CA C 59 53.904 54.158 -0.254 1
1 594 . 12 1 1 A 59 59 GLN CB C 59 29.530 31.004 -1.474 1
1 596 . 12 1 1 A 59 59 GLN N N 59 123.928 123.066 0.862 1
1 598 . 12 1 1 A 60 60 HIS H H 60 9.330 8.652 0.678 1
1 599 . 12 1 1 A 60 60 HIS HA H 60 4.945 4.725 0.220 1
1 604 . 12 1 1 A 60 60 HIS C C 60 175.428 175.114 0.314 1
1 605 . 12 1 1 A 60 60 HIS CA C 60 54.556 54.761 -0.205 1
1 606 . 12 1 1 A 60 60 HIS CB C 60 32.329 30.998 1.331 1
1 609 . 12 1 1 A 60 60 HIS N N 60 131.634 126.333 5.301 1
1 610 . 12 1 1 A 61 61 PRO HA H 61 4.269 4.229 0.040 1
1 617 . 12 1 1 A 61 61 PRO CA C 61 64.043 63.961 0.082 1
1 618 . 12 1 1 A 61 61 PRO CB C 61 31.752 31.572 0.180 1
1 621 . 12 1 1 A 62 62 GLY H H 62 7.210 7.825 -0.615 1
1 622 . 12 1 1 A 62 62 GLY HA2 H 62 3.928 3.739 0.189 1
1 623 . 12 1 1 A 62 62 GLY HA3 H 62 3.666 3.944 -0.278 1
1 624 . 12 1 1 A 62 62 GLY CA C 62 46.610 47.033 -0.423 1
1 625 . 12 1 1 A 62 62 GLY N N 62 105.065 107.372 -2.307 1
1 626 . 12 1 1 A 63 63 ASP H H 63 8.237 8.170 0.067 1
1 627 . 12 1 1 A 63 63 ASP HA H 63 4.648 4.702 -0.054 1
1 630 . 12 1 1 A 63 63 ASP C C 63 177.303 176.476 0.827 1
1 631 . 12 1 1 A 63 63 ASP CA C 63 53.182 54.546 -1.364 1
1 632 . 12 1 1 A 63 63 ASP CB C 63 42.216 41.849 0.367 1
1 633 . 12 1 1 A 63 63 ASP N N 63 118.685 120.471 -1.786 1
1 634 . 12 1 1 A 64 64 GLY H H 64 8.315 7.813 0.502 1
1 635 . 12 1 1 A 64 64 GLY HA2 H 64 3.900 3.969 -0.069 1
1 636 . 12 1 1 A 64 64 GLY HA3 H 64 3.635 3.977 -0.342 1
1 637 . 12 1 1 A 64 64 GLY C C 64 174.457 173.889 0.568 1
1 638 . 12 1 1 A 64 64 GLY CA C 64 46.004 45.352 0.652 1
1 639 . 12 1 1 A 64 64 GLY N N 64 109.742 109.167 0.575 1
1 640 . 12 1 1 A 65 65 HIS H H 65 9.101 8.036 1.065 1
1 641 . 12 1 1 A 65 65 HIS HA H 65 4.675 4.818 -0.143 1
1 645 . 12 1 1 A 65 65 HIS C C 65 173.603 173.808 -0.205 1
1 646 . 12 1 1 A 65 65 HIS CA C 65 55.208 54.742 0.466 1
1 647 . 12 1 1 A 65 65 HIS CB C 65 30.321 33.627 -3.306 1
1 649 . 12 1 1 A 65 65 HIS N N 65 121.111 117.310 3.801 1
1 650 . 12 1 1 A 66 66 PHE H H 66 8.841 8.650 0.191 1
1 651 . 12 1 1 A 66 66 PHE HA H 66 5.005 5.394 -0.389 1
1 659 . 12 1 1 A 66 66 PHE C C 66 174.272 174.404 -0.132 1
1 660 . 12 1 1 A 66 66 PHE CA C 66 57.904 55.913 1.991 1
1 661 . 12 1 1 A 66 66 PHE CB C 66 40.990 41.218 -0.228 1
1 667 . 12 1 1 A 66 66 PHE N N 66 118.465 117.928 0.537 1
1 668 . 12 1 1 A 67 67 TYR H H 67 8.714 9.149 -0.435 1
1 669 . 12 1 1 A 67 67 TYR HA H 67 5.676 5.167 0.509 1
1 676 . 12 1 1 A 67 67 TYR C C 67 176.345 175.785 0.560 1
1 677 . 12 1 1 A 67 67 TYR CA C 67 56.829 56.634 0.195 1
1 678 . 12 1 1 A 67 67 TYR CB C 67 43.668 43.204 0.464 1
1 683 . 12 1 1 A 67 67 TYR N N 67 117.828 121.364 -3.536 1
1 684 . 12 1 1 A 68 68 CYS H H 68 9.524 8.663 0.861 1
1 685 . 12 1 1 A 68 68 CYS HA H 68 5.152 4.921 0.231 1
1 688 . 12 1 1 A 68 68 CYS C C 68 176.563 176.403 0.160 1
1 689 . 12 1 1 A 68 68 CYS CA C 68 58.468 58.082 0.386 1
1 690 . 12 1 1 A 68 68 CYS CB C 68 29.373 29.670 -0.297 1
1 691 . 12 1 1 A 68 68 CYS N N 68 120.631 120.296 0.335 1
1 692 . 12 1 1 A 69 69 LEU H H 69 7.630 8.753 -1.123 1
1 693 . 12 1 1 A 69 69 LEU HA H 69 3.952 4.387 -0.435 1
1 703 . 12 1 1 A 69 69 LEU C C 69 179.373 176.766 2.607 1
1 704 . 12 1 1 A 69 69 LEU CA C 69 58.080 55.496 2.584 1
1 705 . 12 1 1 A 69 69 LEU CB C 69 40.125 41.119 -0.994 1
1 709 . 12 1 1 A 69 69 LEU N N 69 117.279 122.470 -5.191 1
1 710 . 12 1 1 A 70 70 GLN H H 70 8.159 8.237 -0.078 1
1 711 . 12 1 1 A 70 70 GLN HA H 70 4.106 4.647 -0.541 1
1 718 . 12 1 1 A 70 70 GLN C C 70 177.094 176.906 0.188 1
1 719 . 12 1 1 A 70 70 GLN CA C 70 57.781 56.187 1.594 1
1 720 . 12 1 1 A 70 70 GLN CB C 70 28.537 30.758 -2.221 1
1 722 . 12 1 1 A 70 70 GLN N N 70 115.749 119.145 -3.396 1
1 724 . 12 1 1 A 71 71 HIS H H 71 7.651 7.750 -0.099 1
1 725 . 12 1 1 A 71 71 HIS HA H 71 4.917 4.742 0.175 1
1 730 . 12 1 1 A 71 71 HIS C C 71 173.431 175.063 -1.632 1
1 731 . 12 1 1 A 71 71 HIS CA C 71 56.142 56.251 -0.109 1
1 732 . 12 1 1 A 71 71 HIS CB C 71 33.010 31.702 1.308 1
1 735 . 12 1 1 A 71 71 HIS N N 71 116.846 115.604 1.242 1
1 736 . 12 1 1 A 72 72 LEU H H 72 7.154 7.634 -0.480 1
1 737 . 12 1 1 A 72 72 LEU HA H 72 3.772 4.177 -0.405 1
1 747 . 12 1 1 A 72 72 LEU C C 72 174.748 175.120 -0.372 1
1 748 . 12 1 1 A 72 72 LEU CA C 72 53.499 53.282 0.217 1
1 749 . 12 1 1 A 72 72 LEU CB C 72 42.729 42.871 -0.142 1
1 753 . 12 1 1 A 72 72 LEU N N 72 124.029 122.317 1.712 1
1 754 . 12 1 1 A 73 73 PRO HA H 73 4.145 4.499 -0.354 1
1 761 . 12 1 1 A 73 73 PRO C C 73 175.785 175.404 0.381 1
1 762 . 12 1 1 A 73 73 PRO CA C 73 63.050 62.209 0.841 1
1 763 . 12 1 1 A 73 73 PRO CB C 73 32.055 32.492 -0.437 1
1 766 . 12 1 1 A 74 74 GLN H H 74 8.359 8.451 -0.092 1
1 767 . 12 1 1 A 74 74 GLN HA H 74 4.386 4.972 -0.586 1
1 774 . 12 1 1 A 74 74 GLN C C 74 176.731 176.001 0.730 1
1 775 . 12 1 1 A 74 74 GLN CA C 74 55.526 54.249 1.277 1
1 776 . 12 1 1 A 74 74 GLN CB C 74 29.817 32.610 -2.793 1
1 778 . 12 1 1 A 74 74 GLN N N 74 120.467 118.616 1.851 1
1 780 . 12 1 1 A 75 75 THR H H 75 8.368 8.853 -0.485 1
1 781 . 12 1 1 A 75 75 THR HA H 75 4.390 4.510 -0.120 1
1 786 . 12 1 1 A 75 75 THR C C 75 174.257 174.897 -0.640 1
1 787 . 12 1 1 A 75 75 THR CA C 75 61.993 61.596 0.397 1
1 788 . 12 1 1 A 75 75 THR CB C 75 69.991 70.830 -0.839 1
1 790 . 12 1 1 A 75 75 THR N N 75 116.318 116.176 0.142 1
1 791 . 12 1 1 A 76 76 ASP H H 76 8.528 8.966 -0.438 1
1 792 . 12 1 1 A 76 76 ASP HA H 76 4.700 4.754 -0.054 1
1 795 . 12 1 1 A 76 76 ASP C C 76 176.200 176.608 -0.408 1
1 796 . 12 1 1 A 76 76 ASP CA C 76 54.363 55.818 -1.455 1
1 797 . 12 1 1 A 76 76 ASP CB C 76 41.362 42.267 -0.905 1
1 798 . 12 1 1 A 76 76 ASP N N 76 123.204 122.215 0.989 1
1 799 . 12 1 1 A 77 77 SER H H 77 8.346 8.136 0.210 1
1 800 . 12 1 1 A 77 77 SER HA H 77 4.497 4.665 -0.168 1
1 803 . 12 1 1 A 77 77 SER C C 77 174.724 173.313 1.411 1
1 804 . 12 1 1 A 77 77 SER CA C 77 58.451 57.114 1.337 1
1 805 . 12 1 1 A 77 77 SER CB C 77 64.101 64.009 0.092 1
1 806 . 12 1 1 A 77 77 SER N N 77 116.515 113.512 3.003 1
1 807 . 12 1 1 A 78 78 GLY H H 78 8.330 8.212 0.118 1
1 808 . 12 1 1 A 78 78 GLY HA2 H 78 4.135 3.984 0.151 1
1 809 . 12 1 1 A 78 78 GLY HA3 H 78 4.135 3.990 0.145 1
1 810 . 12 1 1 A 78 78 GLY C C 78 171.883 173.260 -1.377 1
1 811 . 12 1 1 A 78 78 GLY CA C 78 44.745 44.641 0.104 1
1 812 . 12 1 1 A 78 78 GLY N N 78 110.837 110.835 0.002 1
1 813 . 12 1 1 A 79 79 PRO HA H 79 4.501 4.608 -0.107 1
1 820 . 12 1 1 A 79 79 PRO C C 79 177.463 177.230 0.233 1
1 821 . 12 1 1 A 79 79 PRO CA C 79 63.332 62.716 0.616 1
1 822 . 12 1 1 A 79 79 PRO CB C 79 32.229 31.648 0.581 1
1 825 . 12 1 1 A 80 80 SER H H 80 8.531 8.319 0.212 1
1 826 . 12 1 1 A 80 80 SER HA H 80 4.521 4.716 -0.195 1
1 829 . 12 1 1 A 80 80 SER C C 80 174.760 173.932 0.828 1
1 830 . 12 1 1 A 80 80 SER CA C 80 58.398 59.157 -0.759 1
1 831 . 12 1 1 A 80 80 SER CB C 80 63.978 64.199 -0.221 1
1 832 . 12 1 1 A 80 80 SER N N 80 116.479 120.093 -3.614 1
1 833 . 12 1 1 A 81 81 SER H H 81 8.358 8.465 -0.107 1
1 834 . 12 1 1 A 81 81 SER HA H 81 4.530 5.431 -0.901 1
1 837 . 12 1 1 A 81 81 SER C C 81 173.982 173.445 0.537 1
1 838 . 12 1 1 A 81 81 SER CA C 81 58.416 56.941 1.475 1
1 839 . 12 1 1 A 81 81 SER CB C 81 64.082 66.643 -2.561 1
1 840 . 12 1 1 A 81 81 SER N N 81 117.964 117.848 0.116 1
1 1 . 13 1 1 A 9 9 HIS HA H 9 4.627 5.018 -0.391 1
1 5 . 13 1 1 A 9 9 HIS C C 9 175.239 173.070 2.169 1
1 6 . 13 1 1 A 9 9 HIS CA C 9 56.347 55.905 0.442 1
1 7 . 13 1 1 A 9 9 HIS CB C 9 30.681 33.587 -2.906 1
1 9 . 13 1 1 A 10 10 GLN H H 10 8.313 8.354 -0.041 1
1 10 . 13 1 1 A 10 10 GLN HA H 10 4.323 4.603 -0.280 1
1 17 . 13 1 1 A 10 10 GLN C C 10 175.703 173.663 2.040 1
1 18 . 13 1 1 A 10 10 GLN CA C 10 55.875 55.490 0.385 1
1 19 . 13 1 1 A 10 10 GLN CB C 10 29.726 33.106 -3.380 1
1 21 . 13 1 1 A 10 10 GLN N N 10 122.031 124.658 -2.627 1
1 23 . 13 1 1 A 11 11 GLU H H 11 8.546 8.796 -0.250 1
1 24 . 13 1 1 A 11 11 GLU HA H 11 4.275 5.045 -0.770 1
1 29 . 13 1 1 A 11 11 GLU C C 11 176.303 174.930 1.373 1
1 30 . 13 1 1 A 11 11 GLU CA C 11 56.472 54.450 2.022 1
1 31 . 13 1 1 A 11 11 GLU CB C 11 30.303 32.932 -2.629 1
1 33 . 13 1 1 A 11 11 GLU N N 11 122.648 123.629 -0.981 1
1 34 . 13 1 1 A 12 12 ALA H H 12 8.403 8.789 -0.386 1
1 35 . 13 1 1 A 12 12 ALA HA H 12 4.288 4.980 -0.692 1
1 39 . 13 1 1 A 12 12 ALA C C 12 178.231 176.404 1.827 1
1 40 . 13 1 1 A 12 12 ALA CA C 12 52.759 51.152 1.607 1
1 41 . 13 1 1 A 12 12 ALA CB C 12 19.237 21.236 -1.999 1
1 42 . 13 1 1 A 12 12 ALA N N 12 125.516 124.123 1.393 1
1 43 . 13 1 1 A 13 13 GLY H H 13 8.490 8.866 -0.376 1
1 44 . 13 1 1 A 13 13 GLY HA2 H 13 3.994 4.198 -0.204 1
1 45 . 13 1 1 A 13 13 GLY HA3 H 13 3.890 4.201 -0.311 1
1 46 . 13 1 1 A 13 13 GLY C C 13 174.176 172.261 1.915 1
1 47 . 13 1 1 A 13 13 GLY CA C 13 45.094 45.511 -0.417 1
1 48 . 13 1 1 A 13 13 GLY N N 13 108.839 110.591 -1.752 1
1 49 . 13 1 1 A 14 14 ALA H H 14 8.172 8.815 -0.643 1
1 50 . 13 1 1 A 14 14 ALA HA H 14 4.246 5.037 -0.791 1
1 54 . 13 1 1 A 14 14 ALA C C 14 178.304 177.885 0.419 1
1 55 . 13 1 1 A 14 14 ALA CA C 14 52.988 50.843 2.145 1
1 56 . 13 1 1 A 14 14 ALA CB C 14 19.228 21.078 -1.850 1
1 57 . 13 1 1 A 14 14 ALA N N 14 123.459 126.413 -2.954 1
1 58 . 13 1 1 A 15 15 GLY H H 15 8.329 8.441 -0.112 1
1 59 . 13 1 1 A 15 15 GLY HA2 H 15 3.578 4.134 -0.556 1
1 60 . 13 1 1 A 15 15 GLY HA3 H 15 3.578 4.160 -0.582 1
1 61 . 13 1 1 A 15 15 GLY C C 15 173.577 173.920 -0.343 1
1 62 . 13 1 1 A 15 15 GLY CA C 15 45.128 46.010 -0.882 1
1 63 . 13 1 1 A 15 15 GLY N N 15 107.276 111.372 -4.096 1
1 64 . 13 1 1 A 16 16 ASP H H 16 7.898 7.794 0.104 1
1 65 . 13 1 1 A 16 16 ASP HA H 16 4.547 4.586 -0.039 1
1 68 . 13 1 1 A 16 16 ASP C C 16 174.898 174.064 0.834 1
1 69 . 13 1 1 A 16 16 ASP CA C 16 54.344 52.987 1.357 1
1 70 . 13 1 1 A 16 16 ASP CB C 16 41.534 41.084 0.450 1
1 71 . 13 1 1 A 16 16 ASP N N 16 118.642 119.422 -0.780 1
1 72 . 13 1 1 A 17 17 LEU H H 17 7.822 7.395 0.427 1
1 73 . 13 1 1 A 17 17 LEU HA H 17 4.446 4.799 -0.353 1
1 83 . 13 1 1 A 17 17 LEU C C 17 175.902 175.992 -0.090 1
1 84 . 13 1 1 A 17 17 LEU CA C 17 53.128 52.868 0.260 1
1 85 . 13 1 1 A 17 17 LEU CB C 17 44.656 45.003 -0.347 1
1 89 . 13 1 1 A 17 17 LEU N N 17 119.654 120.403 -0.749 1
1 90 . 13 1 1 A 18 18 CYS H H 18 8.080 8.159 -0.079 1
1 91 . 13 1 1 A 18 18 CYS HA H 18 4.248 3.912 0.336 1
1 94 . 13 1 1 A 18 18 CYS C C 18 177.466 176.677 0.789 1
1 95 . 13 1 1 A 18 18 CYS CA C 18 58.398 59.805 -1.407 1
1 96 . 13 1 1 A 18 18 CYS CB C 18 31.990 27.992 3.998 1
1 97 . 13 1 1 A 18 18 CYS N N 18 123.013 124.161 -1.148 1
1 98 . 13 1 1 A 19 19 ALA H H 19 9.211 8.348 0.863 1
1 99 . 13 1 1 A 19 19 ALA HA H 19 4.172 4.282 -0.110 1
1 103 . 13 1 1 A 19 19 ALA C C 19 177.724 177.311 0.413 1
1 104 . 13 1 1 A 19 19 ALA CA C 19 54.327 52.639 1.688 1
1 105 . 13 1 1 A 19 19 ALA CB C 19 18.662 18.062 0.600 1
1 106 . 13 1 1 A 19 19 ALA N N 19 132.258 130.391 1.867 1
1 107 . 13 1 1 A 20 20 LEU H H 20 8.911 7.513 1.398 1
1 108 . 13 1 1 A 20 20 LEU HA H 20 4.736 4.469 0.267 1
1 118 . 13 1 1 A 20 20 LEU C C 20 177.779 178.202 -0.423 1
1 119 . 13 1 1 A 20 20 LEU CA C 20 56.935 56.477 0.458 1
1 120 . 13 1 1 A 20 20 LEU CB C 20 43.750 43.685 0.065 1
1 124 . 13 1 1 A 20 20 LEU N N 20 119.770 117.182 2.588 1
1 125 . 13 1 1 A 21 21 CYS H H 21 8.159 8.132 0.027 1
1 126 . 13 1 1 A 21 21 CYS HA H 21 4.962 4.593 0.369 1
1 129 . 13 1 1 A 21 21 CYS C C 21 176.947 175.395 1.552 1
1 130 . 13 1 1 A 21 21 CYS CA C 21 59.137 59.606 -0.469 1
1 131 . 13 1 1 A 21 21 CYS CB C 21 31.728 29.476 2.252 1
1 132 . 13 1 1 A 21 21 CYS N N 21 116.713 113.356 3.357 1
1 133 . 13 1 1 A 22 22 GLY H H 22 8.088 8.247 -0.159 1
1 134 . 13 1 1 A 22 22 GLY HA2 H 22 4.160 3.953 0.207 1
1 135 . 13 1 1 A 22 22 GLY HA3 H 22 3.865 3.987 -0.122 1
1 136 . 13 1 1 A 22 22 GLY C C 22 173.190 173.931 -0.741 1
1 137 . 13 1 1 A 22 22 GLY CA C 22 46.556 45.566 0.990 1
1 138 . 13 1 1 A 22 22 GLY N N 22 112.000 110.251 1.749 1
1 139 . 13 1 1 A 23 23 GLU H H 23 8.378 7.924 0.454 1
1 140 . 13 1 1 A 23 23 GLU HA H 23 4.712 4.819 -0.107 1
1 145 . 13 1 1 A 23 23 GLU C C 23 176.434 175.486 0.948 1
1 146 . 13 1 1 A 23 23 GLU CA C 23 55.014 54.498 0.516 1
1 147 . 13 1 1 A 23 23 GLU CB C 23 31.557 32.690 -1.133 1
1 149 . 13 1 1 A 23 23 GLU N N 23 118.877 119.069 -0.192 1
1 150 . 13 1 1 A 24 24 HIS H H 24 8.666 8.920 -0.254 1
1 151 . 13 1 1 A 24 24 HIS HA H 24 4.333 4.641 -0.308 1
1 156 . 13 1 1 A 24 24 HIS C C 24 175.281 174.629 0.652 1
1 157 . 13 1 1 A 24 24 HIS CA C 24 58.186 57.661 0.525 1
1 158 . 13 1 1 A 24 24 HIS CB C 24 30.099 30.758 -0.659 1
1 161 . 13 1 1 A 24 24 HIS N N 24 118.732 121.565 -2.833 1
1 162 . 13 1 1 A 25 25 LEU H H 25 7.928 8.284 -0.356 1
1 163 . 13 1 1 A 25 25 LEU HA H 25 4.174 5.203 -1.029 1
1 173 . 13 1 1 A 25 25 LEU C C 25 175.186 175.878 -0.692 1
1 174 . 13 1 1 A 25 25 LEU CA C 25 53.992 53.261 0.731 1
1 175 . 13 1 1 A 25 25 LEU CB C 25 43.742 44.786 -1.044 1
1 179 . 13 1 1 A 25 25 LEU N N 25 125.590 125.195 0.395 1
1 180 . 13 1 1 A 26 26 TYR H H 26 8.768 8.799 -0.031 1
1 181 . 13 1 1 A 26 26 TYR HA H 26 4.651 4.915 -0.264 1
1 188 . 13 1 1 A 26 26 TYR C C 26 177.267 175.806 1.461 1
1 189 . 13 1 1 A 26 26 TYR CA C 26 57.270 56.289 0.981 1
1 190 . 13 1 1 A 26 26 TYR CB C 26 38.210 40.865 -2.655 1
1 195 . 13 1 1 A 26 26 TYR N N 26 123.119 122.296 0.823 1
1 196 . 13 1 1 A 27 27 VAL H H 27 8.086 7.626 0.460 1
1 197 . 13 1 1 A 27 27 VAL HA H 27 3.809 3.717 0.092 1
1 205 . 13 1 1 A 27 27 VAL C C 27 176.958 176.946 0.012 1
1 206 . 13 1 1 A 27 27 VAL CA C 27 64.551 65.981 -1.430 1
1 207 . 13 1 1 A 27 27 VAL CB C 27 31.788 31.912 -0.124 1
1 210 . 13 1 1 A 27 27 VAL N N 27 121.055 122.589 -1.534 1
1 211 . 13 1 1 A 28 28 LEU H H 28 7.665 7.984 -0.319 1
1 212 . 13 1 1 A 28 28 LEU HA H 28 4.285 4.521 -0.236 1
1 222 . 13 1 1 A 28 28 LEU C C 28 177.710 177.320 0.390 1
1 223 . 13 1 1 A 28 28 LEU CA C 28 56.297 54.591 1.706 1
1 224 . 13 1 1 A 28 28 LEU CB C 28 41.998 41.639 0.359 1
1 228 . 13 1 1 A 28 28 LEU N N 28 119.062 119.781 -0.719 1
1 229 . 13 1 1 A 29 29 GLU H H 29 7.961 8.089 -0.128 1
1 230 . 13 1 1 A 29 29 GLU HA H 29 4.479 4.508 -0.029 1
1 235 . 13 1 1 A 29 29 GLU C C 29 175.755 176.259 -0.504 1
1 236 . 13 1 1 A 29 29 GLU CA C 29 56.248 57.126 -0.878 1
1 237 . 13 1 1 A 29 29 GLU CB C 29 30.550 32.678 -2.128 1
1 239 . 13 1 1 A 29 29 GLU N N 29 117.067 117.564 -0.497 1
1 240 . 13 1 1 A 30 30 ARG H H 30 7.724 7.317 0.407 1
1 241 . 13 1 1 A 30 30 ARG HA H 30 4.688 4.649 0.039 1
1 248 . 13 1 1 A 30 30 ARG C C 30 174.546 176.072 -1.526 1
1 249 . 13 1 1 A 30 30 ARG CA C 30 55.948 56.409 -0.461 1
1 250 . 13 1 1 A 30 30 ARG CB C 30 33.034 30.527 2.507 1
1 253 . 13 1 1 A 30 30 ARG N N 30 120.305 118.445 1.860 1
1 254 . 13 1 1 A 31 31 LEU H H 31 8.970 9.277 -0.307 1
1 255 . 13 1 1 A 31 31 LEU HA H 31 4.635 4.708 -0.073 1
1 265 . 13 1 1 A 31 31 LEU C C 31 174.536 175.906 -1.370 1
1 266 . 13 1 1 A 31 31 LEU CA C 31 54.168 53.548 0.620 1
1 267 . 13 1 1 A 31 31 LEU CB C 31 45.021 41.843 3.178 1
1 271 . 13 1 1 A 31 31 LEU N N 31 124.553 125.349 -0.796 1
1 272 . 13 1 1 A 32 32 CYS H H 32 8.558 8.301 0.257 1
1 273 . 13 1 1 A 32 32 CYS HA H 32 4.954 4.030 0.924 1
1 276 . 13 1 1 A 32 32 CYS C C 32 174.418 173.926 0.492 1
1 277 . 13 1 1 A 32 32 CYS CA C 32 56.874 58.133 -1.259 1
1 278 . 13 1 1 A 32 32 CYS CB C 32 28.054 27.122 0.932 1
1 279 . 13 1 1 A 32 32 CYS N N 32 124.126 124.555 -0.429 1
1 280 . 13 1 1 A 33 33 VAL H H 33 8.893 8.850 0.043 1
1 281 . 13 1 1 A 33 33 VAL HA H 33 4.103 4.418 -0.315 1
1 289 . 13 1 1 A 33 33 VAL C C 33 175.525 175.875 -0.350 1
1 290 . 13 1 1 A 33 33 VAL CA C 33 61.551 61.010 0.541 1
1 291 . 13 1 1 A 33 33 VAL CB C 33 34.027 33.133 0.894 1
1 294 . 13 1 1 A 33 33 VAL N N 33 129.037 125.257 3.780 1
1 295 . 13 1 1 A 34 34 ASN HA H 34 4.389 4.382 0.007 1
1 300 . 13 1 1 A 34 34 ASN C C 34 174.946 175.302 -0.356 1
1 301 . 13 1 1 A 34 34 ASN CA C 34 53.922 54.548 -0.626 1
1 302 . 13 1 1 A 34 34 ASN CB C 34 37.332 37.400 -0.068 1
1 304 . 13 1 1 A 35 35 GLY H H 35 7.896 8.168 -0.272 1
1 305 . 13 1 1 A 35 35 GLY HA2 H 35 3.891 3.645 0.246 1
1 306 . 13 1 1 A 35 35 GLY HA3 H 35 3.180 3.669 -0.489 1
1 307 . 13 1 1 A 35 35 GLY C C 35 172.892 173.760 -0.868 1
1 308 . 13 1 1 A 35 35 GLY CA C 35 45.290 45.018 0.272 1
1 309 . 13 1 1 A 35 35 GLY N N 35 102.630 103.441 -0.811 1
1 310 . 13 1 1 A 36 36 HIS H H 36 7.694 7.469 0.225 1
1 311 . 13 1 1 A 36 36 HIS HA H 36 4.433 4.431 0.002 1
1 315 . 13 1 1 A 36 36 HIS C C 36 172.910 174.478 -1.568 1
1 316 . 13 1 1 A 36 36 HIS CA C 36 54.433 56.498 -2.065 1
1 317 . 13 1 1 A 36 36 HIS CB C 36 32.464 30.409 2.055 1
1 319 . 13 1 1 A 36 36 HIS N N 36 119.651 118.508 1.143 1
1 320 . 13 1 1 A 37 37 PHE H H 37 8.502 9.190 -0.688 1
1 321 . 13 1 1 A 37 37 PHE HA H 37 5.314 5.534 -0.220 1
1 329 . 13 1 1 A 37 37 PHE C C 37 174.239 174.501 -0.262 1
1 330 . 13 1 1 A 37 37 PHE CA C 37 56.424 56.004 0.420 1
1 331 . 13 1 1 A 37 37 PHE CB C 37 41.572 41.559 0.013 1
1 337 . 13 1 1 A 37 37 PHE N N 37 119.583 121.650 -2.067 1
1 338 . 13 1 1 A 38 38 PHE H H 38 8.664 9.081 -0.417 1
1 339 . 13 1 1 A 38 38 PHE HA H 38 5.866 4.980 0.886 1
1 347 . 13 1 1 A 38 38 PHE C C 38 177.496 174.999 2.497 1
1 348 . 13 1 1 A 38 38 PHE CA C 38 55.296 56.068 -0.772 1
1 349 . 13 1 1 A 38 38 PHE CB C 38 44.392 43.676 0.716 1
1 355 . 13 1 1 A 38 38 PHE N N 38 116.719 119.795 -3.076 1
1 356 . 13 1 1 A 39 39 HIS H H 39 8.854 8.387 0.467 1
1 357 . 13 1 1 A 39 39 HIS HA H 39 4.675 4.801 -0.126 1
1 362 . 13 1 1 A 39 39 HIS C C 39 178.476 176.744 1.732 1
1 363 . 13 1 1 A 39 39 HIS CA C 39 59.297 56.387 2.910 1
1 364 . 13 1 1 A 39 39 HIS CB C 39 30.980 30.843 0.137 1
1 367 . 13 1 1 A 39 39 HIS N N 39 120.015 118.845 1.170 1
1 368 . 13 1 1 A 40 40 ARG H H 40 9.256 9.332 -0.076 1
1 369 . 13 1 1 A 40 40 ARG HA H 40 3.965 4.154 -0.189 1
1 376 . 13 1 1 A 40 40 ARG C C 40 179.459 177.332 2.127 1
1 377 . 13 1 1 A 40 40 ARG CA C 40 60.547 58.740 1.807 1
1 378 . 13 1 1 A 40 40 ARG CB C 40 29.598 30.033 -0.435 1
1 381 . 13 1 1 A 40 40 ARG N N 40 126.206 123.972 2.234 1
1 382 . 13 1 1 A 41 41 SER H H 41 8.643 7.880 0.763 1
1 383 . 13 1 1 A 41 41 SER HA H 41 4.221 4.482 -0.261 1
1 386 . 13 1 1 A 41 41 SER C C 41 175.499 176.416 -0.917 1
1 387 . 13 1 1 A 41 41 SER CA C 41 60.160 60.183 -0.023 1
1 388 . 13 1 1 A 41 41 SER CB C 41 62.847 63.875 -1.028 1
1 389 . 13 1 1 A 41 41 SER N N 41 109.970 113.682 -3.712 1
1 390 . 13 1 1 A 42 42 CYS H H 42 7.427 8.421 -0.994 1
1 391 . 13 1 1 A 42 42 CYS HA H 42 4.306 4.162 0.144 1
1 394 . 13 1 1 A 42 42 CYS C C 42 174.200 175.659 -1.459 1
1 395 . 13 1 1 A 42 42 CYS CA C 42 61.569 63.670 -2.101 1
1 396 . 13 1 1 A 42 42 CYS CB C 42 30.945 27.880 3.065 1
1 397 . 13 1 1 A 42 42 CYS N N 42 118.020 119.486 -1.466 1
1 398 . 13 1 1 A 43 43 PHE H H 43 7.257 7.785 -0.528 1
1 399 . 13 1 1 A 43 43 PHE HA H 43 4.122 4.288 -0.166 1
1 407 . 13 1 1 A 43 43 PHE C C 43 172.037 174.600 -2.563 1
1 408 . 13 1 1 A 43 43 PHE CA C 43 57.112 57.907 -0.795 1
1 409 . 13 1 1 A 43 43 PHE CB C 43 37.448 38.657 -1.209 1
1 415 . 13 1 1 A 43 43 PHE N N 43 122.965 122.162 0.803 1
1 416 . 13 1 1 A 44 44 ARG H H 44 7.110 7.726 -0.616 1
1 417 . 13 1 1 A 44 44 ARG HA H 44 4.821 4.944 -0.123 1
1 424 . 13 1 1 A 44 44 ARG C C 44 174.097 174.789 -0.692 1
1 425 . 13 1 1 A 44 44 ARG CA C 44 53.323 53.229 0.094 1
1 426 . 13 1 1 A 44 44 ARG CB C 44 34.911 34.252 0.659 1
1 429 . 13 1 1 A 44 44 ARG N N 44 123.199 125.643 -2.444 1
1 430 . 13 1 1 A 45 45 CYS H H 45 8.580 8.480 0.100 1
1 431 . 13 1 1 A 45 45 CYS HA H 45 4.055 4.435 -0.380 1
1 434 . 13 1 1 A 45 45 CYS C C 45 177.493 175.088 2.405 1
1 435 . 13 1 1 A 45 45 CYS CA C 45 59.878 59.571 0.307 1
1 436 . 13 1 1 A 45 45 CYS CB C 45 32.052 28.889 3.163 1
1 437 . 13 1 1 A 45 45 CYS N N 45 121.527 121.064 0.463 1
1 438 . 13 1 1 A 46 46 HIS H H 46 9.187 8.594 0.593 1
1 439 . 13 1 1 A 46 46 HIS HA H 46 4.184 4.520 -0.336 1
1 443 . 13 1 1 A 46 46 HIS C C 46 175.000 176.386 -1.386 1
1 444 . 13 1 1 A 46 46 HIS CA C 46 59.137 57.169 1.968 1
1 445 . 13 1 1 A 46 46 HIS CB C 46 29.560 30.553 -0.993 1
1 447 . 13 1 1 A 46 46 HIS N N 46 130.205 125.127 5.078 1
1 448 . 13 1 1 A 47 47 THR H H 47 8.848 7.549 1.299 1
1 449 . 13 1 1 A 47 47 THR HA H 47 4.134 4.341 -0.207 1
1 454 . 13 1 1 A 47 47 THR C C 47 174.926 175.975 -1.049 1
1 455 . 13 1 1 A 47 47 THR CA C 47 65.535 63.732 1.803 1
1 456 . 13 1 1 A 47 47 THR CB C 47 70.010 70.602 -0.592 1
1 458 . 13 1 1 A 47 47 THR N N 47 116.066 111.660 4.406 1
1 459 . 13 1 1 A 48 48 CYS H H 48 8.181 8.177 0.004 1
1 460 . 13 1 1 A 48 48 CYS HA H 48 4.821 4.558 0.263 1
1 463 . 13 1 1 A 48 48 CYS C C 48 176.004 174.456 1.548 1
1 464 . 13 1 1 A 48 48 CYS CA C 48 59.050 58.231 0.819 1
1 465 . 13 1 1 A 48 48 CYS CB C 48 32.944 28.825 4.119 1
1 466 . 13 1 1 A 48 48 CYS N N 48 119.626 115.989 3.637 1
1 467 . 13 1 1 A 49 49 GLU H H 49 8.081 8.003 0.078 1
1 468 . 13 1 1 A 49 49 GLU HA H 49 3.865 4.185 -0.320 1
1 473 . 13 1 1 A 49 49 GLU C C 49 174.137 174.917 -0.780 1
1 474 . 13 1 1 A 49 49 GLU CA C 49 58.732 57.415 1.317 1
1 475 . 13 1 1 A 49 49 GLU CB C 49 27.345 27.230 0.115 1
1 477 . 13 1 1 A 49 49 GLU N N 49 116.307 116.872 -0.565 1
1 478 . 13 1 1 A 50 50 ALA H H 50 8.498 7.774 0.724 1
1 479 . 13 1 1 A 50 50 ALA HA H 50 4.388 4.506 -0.118 1
1 483 . 13 1 1 A 50 50 ALA C C 50 178.362 176.962 1.400 1
1 484 . 13 1 1 A 50 50 ALA CA C 50 53.111 51.098 2.013 1
1 485 . 13 1 1 A 50 50 ALA CB C 50 20.334 20.642 -0.308 1
1 486 . 13 1 1 A 50 50 ALA N N 50 124.211 120.345 3.866 1
1 487 . 13 1 1 A 51 51 THR H H 51 8.470 8.426 0.044 1
1 488 . 13 1 1 A 51 51 THR HA H 51 3.811 3.843 -0.032 1
1 493 . 13 1 1 A 51 51 THR C C 51 173.931 173.608 0.323 1
1 494 . 13 1 1 A 51 51 THR CA C 51 64.345 63.157 1.188 1
1 495 . 13 1 1 A 51 51 THR CB C 51 69.428 67.666 1.762 1
1 497 . 13 1 1 A 51 51 THR N N 51 117.025 117.225 -0.200 1
1 498 . 13 1 1 A 52 52 LEU H H 52 7.421 7.724 -0.303 1
1 499 . 13 1 1 A 52 52 LEU HA H 52 4.439 4.249 0.190 1
1 509 . 13 1 1 A 52 52 LEU C C 52 175.390 175.873 -0.483 1
1 510 . 13 1 1 A 52 52 LEU CA C 52 53.728 54.420 -0.692 1
1 511 . 13 1 1 A 52 52 LEU CB C 52 42.020 40.329 1.691 1
1 515 . 13 1 1 A 52 52 LEU N N 52 125.339 127.419 -2.080 1
1 516 . 13 1 1 A 53 53 TRP H H 53 8.089 8.122 -0.033 1
1 517 . 13 1 1 A 53 53 TRP HA H 53 5.148 4.848 0.300 1
1 526 . 13 1 1 A 53 53 TRP C C 53 173.534 175.483 -1.949 1
1 527 . 13 1 1 A 53 53 TRP CA C 53 54.345 56.415 -2.070 1
1 528 . 13 1 1 A 53 53 TRP CB C 53 30.134 29.278 0.856 1
1 534 . 13 1 1 A 53 53 TRP N N 53 120.731 126.653 -5.922 1
1 536 . 13 1 1 A 54 54 PRO HA H 54 4.553 4.909 -0.356 1
1 543 . 13 1 1 A 54 54 PRO CA C 54 64.882 63.019 1.863 1
1 544 . 13 1 1 A 54 54 PRO CB C 54 31.969 29.817 2.152 1
1 547 . 13 1 1 A 55 55 GLY HA2 H 55 4.330 4.126 0.204 1
1 548 . 13 1 1 A 55 55 GLY HA3 H 55 3.795 4.147 -0.352 1
1 549 . 13 1 1 A 55 55 GLY C C 55 175.195 174.821 0.374 1
1 550 . 13 1 1 A 55 55 GLY CA C 55 45.586 45.241 0.345 1
1 551 . 13 1 1 A 56 56 GLY H H 56 8.653 7.806 0.847 1
1 552 . 13 1 1 A 56 56 GLY HA2 H 56 4.567 4.272 0.295 1
1 553 . 13 1 1 A 56 56 GLY HA3 H 56 3.380 4.342 -0.962 1
1 554 . 13 1 1 A 56 56 GLY C C 56 174.377 173.661 0.716 1
1 555 . 13 1 1 A 56 56 GLY CA C 56 45.237 45.811 -0.574 1
1 556 . 13 1 1 A 56 56 GLY N N 56 107.803 107.385 0.418 1
1 557 . 13 1 1 A 57 57 TYR H H 57 7.269 7.724 -0.455 1
1 558 . 13 1 1 A 57 57 TYR HA H 57 5.600 5.276 0.324 1
1 565 . 13 1 1 A 57 57 TYR C C 57 173.258 173.769 -0.511 1
1 566 . 13 1 1 A 57 57 TYR CA C 57 55.666 56.300 -0.634 1
1 567 . 13 1 1 A 57 57 TYR CB C 57 44.451 41.610 2.841 1
1 572 . 13 1 1 A 57 57 TYR N N 57 116.315 116.464 -0.149 1
1 573 . 13 1 1 A 58 58 GLU H H 58 8.948 9.004 -0.056 1
1 574 . 13 1 1 A 58 58 GLU HA H 58 4.546 4.691 -0.145 1
1 579 . 13 1 1 A 58 58 GLU C C 58 174.242 174.400 -0.158 1
1 580 . 13 1 1 A 58 58 GLU CA C 58 55.790 55.341 0.449 1
1 581 . 13 1 1 A 58 58 GLU CB C 58 35.177 34.170 1.007 1
1 583 . 13 1 1 A 58 58 GLU N N 58 117.931 119.158 -1.227 1
1 584 . 13 1 1 A 59 59 GLN H H 59 9.205 8.690 0.515 1
1 585 . 13 1 1 A 59 59 GLN HA H 59 4.760 4.840 -0.080 1
1 592 . 13 1 1 A 59 59 GLN C C 59 175.807 175.318 0.489 1
1 593 . 13 1 1 A 59 59 GLN CA C 59 53.904 53.701 0.203 1
1 594 . 13 1 1 A 59 59 GLN CB C 59 29.530 29.400 0.130 1
1 596 . 13 1 1 A 59 59 GLN N N 59 123.928 123.060 0.868 1
1 598 . 13 1 1 A 60 60 HIS H H 60 9.330 8.513 0.817 1
1 599 . 13 1 1 A 60 60 HIS HA H 60 4.945 4.473 0.472 1
1 604 . 13 1 1 A 60 60 HIS C C 60 175.428 175.461 -0.033 1
1 605 . 13 1 1 A 60 60 HIS CA C 60 54.556 55.173 -0.617 1
1 606 . 13 1 1 A 60 60 HIS CB C 60 32.329 31.067 1.262 1
1 609 . 13 1 1 A 60 60 HIS N N 60 131.634 127.137 4.497 1
1 610 . 13 1 1 A 61 61 PRO HA H 61 4.269 4.226 0.043 1
1 617 . 13 1 1 A 61 61 PRO CA C 61 64.043 64.558 -0.515 1
1 618 . 13 1 1 A 61 61 PRO CB C 61 31.752 31.747 0.005 1
1 621 . 13 1 1 A 62 62 GLY H H 62 7.210 7.893 -0.683 1
1 622 . 13 1 1 A 62 62 GLY HA2 H 62 3.928 3.776 0.152 1
1 623 . 13 1 1 A 62 62 GLY HA3 H 62 3.666 3.985 -0.319 1
1 624 . 13 1 1 A 62 62 GLY CA C 62 46.610 47.270 -0.660 1
1 625 . 13 1 1 A 62 62 GLY N N 62 105.065 106.211 -1.146 1
1 626 . 13 1 1 A 63 63 ASP H H 63 8.237 8.126 0.111 1
1 627 . 13 1 1 A 63 63 ASP HA H 63 4.648 4.501 0.147 1
1 630 . 13 1 1 A 63 63 ASP C C 63 177.303 176.564 0.739 1
1 631 . 13 1 1 A 63 63 ASP CA C 63 53.182 55.553 -2.371 1
1 632 . 13 1 1 A 63 63 ASP CB C 63 42.216 41.362 0.854 1
1 633 . 13 1 1 A 63 63 ASP N N 63 118.685 121.745 -3.060 1
1 634 . 13 1 1 A 64 64 GLY H H 64 8.315 8.229 0.086 1
1 635 . 13 1 1 A 64 64 GLY HA2 H 64 3.900 3.979 -0.079 1
1 636 . 13 1 1 A 64 64 GLY HA3 H 64 3.635 4.015 -0.380 1
1 637 . 13 1 1 A 64 64 GLY C C 64 174.457 173.695 0.762 1
1 638 . 13 1 1 A 64 64 GLY CA C 64 46.004 45.530 0.474 1
1 639 . 13 1 1 A 64 64 GLY N N 64 109.742 106.184 3.558 1
1 640 . 13 1 1 A 65 65 HIS H H 65 9.101 8.049 1.052 1
1 641 . 13 1 1 A 65 65 HIS HA H 65 4.675 5.225 -0.550 1
1 645 . 13 1 1 A 65 65 HIS C C 65 173.603 173.583 0.020 1
1 646 . 13 1 1 A 65 65 HIS CA C 65 55.208 54.644 0.564 1
1 647 . 13 1 1 A 65 65 HIS CB C 65 30.321 34.434 -4.113 1
1 649 . 13 1 1 A 65 65 HIS N N 65 121.111 117.081 4.030 1
1 650 . 13 1 1 A 66 66 PHE H H 66 8.841 8.544 0.297 1
1 651 . 13 1 1 A 66 66 PHE HA H 66 5.005 5.277 -0.272 1
1 659 . 13 1 1 A 66 66 PHE C C 66 174.272 174.236 0.036 1
1 660 . 13 1 1 A 66 66 PHE CA C 66 57.904 56.206 1.698 1
1 661 . 13 1 1 A 66 66 PHE CB C 66 40.990 41.689 -0.699 1
1 667 . 13 1 1 A 66 66 PHE N N 66 118.465 117.427 1.038 1
1 668 . 13 1 1 A 67 67 TYR H H 67 8.714 9.223 -0.509 1
1 669 . 13 1 1 A 67 67 TYR HA H 67 5.676 5.151 0.525 1
1 676 . 13 1 1 A 67 67 TYR C C 67 176.345 175.741 0.604 1
1 677 . 13 1 1 A 67 67 TYR CA C 67 56.829 56.513 0.316 1
1 678 . 13 1 1 A 67 67 TYR CB C 67 43.668 43.421 0.247 1
1 683 . 13 1 1 A 67 67 TYR N N 67 117.828 121.098 -3.270 1
1 684 . 13 1 1 A 68 68 CYS H H 68 9.524 8.626 0.898 1
1 685 . 13 1 1 A 68 68 CYS HA H 68 5.152 4.859 0.293 1
1 688 . 13 1 1 A 68 68 CYS C C 68 176.563 176.346 0.217 1
1 689 . 13 1 1 A 68 68 CYS CA C 68 58.468 58.319 0.149 1
1 690 . 13 1 1 A 68 68 CYS CB C 68 29.373 29.726 -0.353 1
1 691 . 13 1 1 A 68 68 CYS N N 68 120.631 120.177 0.454 1
1 692 . 13 1 1 A 69 69 LEU H H 69 7.630 8.722 -1.092 1
1 693 . 13 1 1 A 69 69 LEU HA H 69 3.952 4.363 -0.411 1
1 703 . 13 1 1 A 69 69 LEU C C 69 179.373 176.854 2.519 1
1 704 . 13 1 1 A 69 69 LEU CA C 69 58.080 55.456 2.624 1
1 705 . 13 1 1 A 69 69 LEU CB C 69 40.125 41.181 -1.056 1
1 709 . 13 1 1 A 69 69 LEU N N 69 117.279 122.802 -5.523 1
1 710 . 13 1 1 A 70 70 GLN H H 70 8.159 8.232 -0.073 1
1 711 . 13 1 1 A 70 70 GLN HA H 70 4.106 4.665 -0.559 1
1 718 . 13 1 1 A 70 70 GLN C C 70 177.094 176.986 0.108 1
1 719 . 13 1 1 A 70 70 GLN CA C 70 57.781 56.465 1.316 1
1 720 . 13 1 1 A 70 70 GLN CB C 70 28.537 31.283 -2.746 1
1 722 . 13 1 1 A 70 70 GLN N N 70 115.749 119.338 -3.589 1
1 724 . 13 1 1 A 71 71 HIS H H 71 7.651 7.667 -0.016 1
1 725 . 13 1 1 A 71 71 HIS HA H 71 4.917 4.778 0.139 1
1 730 . 13 1 1 A 71 71 HIS C C 71 173.431 174.978 -1.547 1
1 731 . 13 1 1 A 71 71 HIS CA C 71 56.142 56.077 0.065 1
1 732 . 13 1 1 A 71 71 HIS CB C 71 33.010 31.570 1.440 1
1 735 . 13 1 1 A 71 71 HIS N N 71 116.846 115.207 1.639 1
1 736 . 13 1 1 A 72 72 LEU H H 72 7.154 7.548 -0.394 1
1 737 . 13 1 1 A 72 72 LEU HA H 72 3.772 4.160 -0.388 1
1 747 . 13 1 1 A 72 72 LEU C C 72 174.748 175.052 -0.304 1
1 748 . 13 1 1 A 72 72 LEU CA C 72 53.499 53.278 0.221 1
1 749 . 13 1 1 A 72 72 LEU CB C 72 42.729 43.084 -0.355 1
1 753 . 13 1 1 A 72 72 LEU N N 72 124.029 121.892 2.137 1
1 754 . 13 1 1 A 73 73 PRO HA H 73 4.145 4.450 -0.305 1
1 761 . 13 1 1 A 73 73 PRO C C 73 175.785 175.402 0.383 1
1 762 . 13 1 1 A 73 73 PRO CA C 73 63.050 62.135 0.915 1
1 763 . 13 1 1 A 73 73 PRO CB C 73 32.055 32.727 -0.672 1
1 766 . 13 1 1 A 74 74 GLN H H 74 8.359 8.524 -0.165 1
1 767 . 13 1 1 A 74 74 GLN HA H 74 4.386 5.115 -0.729 1
1 774 . 13 1 1 A 74 74 GLN C C 74 176.731 174.738 1.993 1
1 775 . 13 1 1 A 74 74 GLN CA C 74 55.526 54.629 0.897 1
1 776 . 13 1 1 A 74 74 GLN CB C 74 29.817 32.881 -3.064 1
1 778 . 13 1 1 A 74 74 GLN N N 74 120.467 118.757 1.710 1
1 780 . 13 1 1 A 75 75 THR H H 75 8.368 8.955 -0.587 1
1 781 . 13 1 1 A 75 75 THR HA H 75 4.390 4.546 -0.156 1
1 786 . 13 1 1 A 75 75 THR C C 75 174.257 173.585 0.672 1
1 787 . 13 1 1 A 75 75 THR CA C 75 61.993 61.516 0.477 1
1 788 . 13 1 1 A 75 75 THR CB C 75 69.991 68.565 1.426 1
1 790 . 13 1 1 A 75 75 THR N N 75 116.318 120.186 -3.868 1
1 791 . 13 1 1 A 76 76 ASP H H 76 8.528 8.959 -0.431 1
1 792 . 13 1 1 A 76 76 ASP HA H 76 4.700 4.833 -0.133 1
1 795 . 13 1 1 A 76 76 ASP C C 76 176.200 176.279 -0.079 1
1 796 . 13 1 1 A 76 76 ASP CA C 76 54.363 55.666 -1.303 1
1 797 . 13 1 1 A 76 76 ASP CB C 76 41.362 43.541 -2.179 1
1 798 . 13 1 1 A 76 76 ASP N N 76 123.204 131.047 -7.843 1
1 799 . 13 1 1 A 77 77 SER H H 77 8.346 7.880 0.466 1
1 800 . 13 1 1 A 77 77 SER HA H 77 4.497 4.274 0.223 1
1 803 . 13 1 1 A 77 77 SER C C 77 174.724 174.951 -0.227 1
1 804 . 13 1 1 A 77 77 SER CA C 77 58.451 59.706 -1.255 1
1 805 . 13 1 1 A 77 77 SER CB C 77 64.101 64.105 -0.004 1
1 806 . 13 1 1 A 77 77 SER N N 77 116.515 115.420 1.095 1
1 807 . 13 1 1 A 78 78 GLY H H 78 8.330 8.610 -0.280 1
1 808 . 13 1 1 A 78 78 GLY HA2 H 78 4.135 4.182 -0.047 1
1 809 . 13 1 1 A 78 78 GLY HA3 H 78 4.135 4.183 -0.048 1
1 810 . 13 1 1 A 78 78 GLY C C 78 171.883 172.765 -0.882 1
1 811 . 13 1 1 A 78 78 GLY CA C 78 44.745 44.730 0.015 1
1 812 . 13 1 1 A 78 78 GLY N N 78 110.837 110.264 0.573 1
1 813 . 13 1 1 A 79 79 PRO HA H 79 4.501 4.537 -0.036 1
1 820 . 13 1 1 A 79 79 PRO C C 79 177.463 177.140 0.323 1
1 821 . 13 1 1 A 79 79 PRO CA C 79 63.332 62.734 0.598 1
1 822 . 13 1 1 A 79 79 PRO CB C 79 32.229 31.966 0.263 1
1 825 . 13 1 1 A 80 80 SER H H 80 8.531 8.476 0.055 1
1 826 . 13 1 1 A 80 80 SER HA H 80 4.521 4.372 0.149 1
1 829 . 13 1 1 A 80 80 SER C C 80 174.760 175.502 -0.742 1
1 830 . 13 1 1 A 80 80 SER CA C 80 58.398 59.540 -1.142 1
1 831 . 13 1 1 A 80 80 SER CB C 80 63.978 64.231 -0.253 1
1 832 . 13 1 1 A 80 80 SER N N 80 116.479 118.904 -2.425 1
1 833 . 13 1 1 A 81 81 SER H H 81 8.358 8.931 -0.573 1
1 834 . 13 1 1 A 81 81 SER HA H 81 4.530 4.050 0.480 1
1 837 . 13 1 1 A 81 81 SER C C 81 173.982 174.804 -0.822 1
1 838 . 13 1 1 A 81 81 SER CA C 81 58.416 61.037 -2.621 1
1 839 . 13 1 1 A 81 81 SER CB C 81 64.082 63.493 0.589 1
1 840 . 13 1 1 A 81 81 SER N N 81 117.964 119.633 -1.669 1
1 1 . 14 1 1 A 9 9 HIS HA H 9 4.627 4.739 -0.112 1
1 5 . 14 1 1 A 9 9 HIS C C 9 175.239 175.072 0.167 1
1 6 . 14 1 1 A 9 9 HIS CA C 9 56.347 55.137 1.210 1
1 7 . 14 1 1 A 9 9 HIS CB C 9 30.681 30.285 0.396 1
1 9 . 14 1 1 A 10 10 GLN H H 10 8.313 9.202 -0.889 1
1 10 . 14 1 1 A 10 10 GLN HA H 10 4.323 3.967 0.356 1
1 17 . 14 1 1 A 10 10 GLN C C 10 175.703 176.263 -0.560 1
1 18 . 14 1 1 A 10 10 GLN CA C 10 55.875 56.806 -0.931 1
1 19 . 14 1 1 A 10 10 GLN CB C 10 29.726 26.208 3.518 1
1 21 . 14 1 1 A 10 10 GLN N N 10 122.031 117.923 4.108 1
1 23 . 14 1 1 A 11 11 GLU H H 11 8.546 8.062 0.484 1
1 24 . 14 1 1 A 11 11 GLU HA H 11 4.275 4.055 0.220 1
1 29 . 14 1 1 A 11 11 GLU C C 11 176.303 176.353 -0.050 1
1 30 . 14 1 1 A 11 11 GLU CA C 11 56.472 59.060 -2.588 1
1 31 . 14 1 1 A 11 11 GLU CB C 11 30.303 29.587 0.716 1
1 33 . 14 1 1 A 11 11 GLU N N 11 122.648 119.340 3.308 1
1 34 . 14 1 1 A 12 12 ALA H H 12 8.403 7.631 0.772 1
1 35 . 14 1 1 A 12 12 ALA HA H 12 4.288 4.557 -0.269 1
1 39 . 14 1 1 A 12 12 ALA C C 12 178.231 177.977 0.254 1
1 40 . 14 1 1 A 12 12 ALA CA C 12 52.759 51.528 1.231 1
1 41 . 14 1 1 A 12 12 ALA CB C 12 19.237 21.176 -1.939 1
1 42 . 14 1 1 A 12 12 ALA N N 12 125.516 118.606 6.910 1
1 43 . 14 1 1 A 13 13 GLY H H 13 8.490 8.711 -0.221 1
1 44 . 14 1 1 A 13 13 GLY HA2 H 13 3.994 3.842 0.152 1
1 45 . 14 1 1 A 13 13 GLY HA3 H 13 3.890 3.844 0.046 1
1 46 . 14 1 1 A 13 13 GLY C C 13 174.176 174.930 -0.754 1
1 47 . 14 1 1 A 13 13 GLY CA C 13 45.094 47.203 -2.109 1
1 48 . 14 1 1 A 13 13 GLY N N 13 108.839 111.128 -2.289 1
1 49 . 14 1 1 A 14 14 ALA H H 14 8.172 7.706 0.466 1
1 50 . 14 1 1 A 14 14 ALA HA H 14 4.246 4.260 -0.014 1
1 54 . 14 1 1 A 14 14 ALA C C 14 178.304 177.801 0.503 1
1 55 . 14 1 1 A 14 14 ALA CA C 14 52.988 52.414 0.574 1
1 56 . 14 1 1 A 14 14 ALA CB C 14 19.228 18.986 0.242 1
1 57 . 14 1 1 A 14 14 ALA N N 14 123.459 125.114 -1.655 1
1 58 . 14 1 1 A 15 15 GLY H H 15 8.329 8.709 -0.380 1
1 59 . 14 1 1 A 15 15 GLY HA2 H 15 3.578 3.915 -0.337 1
1 60 . 14 1 1 A 15 15 GLY HA3 H 15 3.578 3.934 -0.356 1
1 61 . 14 1 1 A 15 15 GLY C C 15 173.577 174.365 -0.788 1
1 62 . 14 1 1 A 15 15 GLY CA C 15 45.128 45.520 -0.392 1
1 63 . 14 1 1 A 15 15 GLY N N 15 107.276 110.137 -2.861 1
1 64 . 14 1 1 A 16 16 ASP H H 16 7.898 8.397 -0.499 1
1 65 . 14 1 1 A 16 16 ASP HA H 16 4.547 3.976 0.571 1
1 68 . 14 1 1 A 16 16 ASP C C 16 174.898 174.478 0.420 1
1 69 . 14 1 1 A 16 16 ASP CA C 16 54.344 55.180 -0.836 1
1 70 . 14 1 1 A 16 16 ASP CB C 16 41.534 38.976 2.558 1
1 71 . 14 1 1 A 16 16 ASP N N 16 118.642 118.014 0.628 1
1 72 . 14 1 1 A 17 17 LEU H H 17 7.822 7.554 0.268 1
1 73 . 14 1 1 A 17 17 LEU HA H 17 4.446 4.945 -0.499 1
1 83 . 14 1 1 A 17 17 LEU C C 17 175.902 175.643 0.259 1
1 84 . 14 1 1 A 17 17 LEU CA C 17 53.128 53.186 -0.058 1
1 85 . 14 1 1 A 17 17 LEU CB C 17 44.656 44.627 0.029 1
1 89 . 14 1 1 A 17 17 LEU N N 17 119.654 118.463 1.191 1
1 90 . 14 1 1 A 18 18 CYS H H 18 8.080 8.578 -0.498 1
1 91 . 14 1 1 A 18 18 CYS HA H 18 4.248 4.040 0.208 1
1 94 . 14 1 1 A 18 18 CYS C C 18 177.466 174.905 2.561 1
1 95 . 14 1 1 A 18 18 CYS CA C 18 58.398 59.244 -0.846 1
1 96 . 14 1 1 A 18 18 CYS CB C 18 31.990 28.326 3.664 1
1 97 . 14 1 1 A 18 18 CYS N N 18 123.013 124.071 -1.058 1
1 98 . 14 1 1 A 19 19 ALA H H 19 9.211 8.523 0.688 1
1 99 . 14 1 1 A 19 19 ALA HA H 19 4.172 4.096 0.076 1
1 103 . 14 1 1 A 19 19 ALA C C 19 177.724 179.292 -1.568 1
1 104 . 14 1 1 A 19 19 ALA CA C 19 54.327 53.490 0.837 1
1 105 . 14 1 1 A 19 19 ALA CB C 19 18.662 19.333 -0.671 1
1 106 . 14 1 1 A 19 19 ALA N N 19 132.258 127.112 5.146 1
1 107 . 14 1 1 A 20 20 LEU H H 20 8.911 7.936 0.975 1
1 108 . 14 1 1 A 20 20 LEU HA H 20 4.736 4.074 0.662 1
1 118 . 14 1 1 A 20 20 LEU C C 20 177.779 178.955 -1.176 1
1 119 . 14 1 1 A 20 20 LEU CA C 20 56.935 58.194 -1.259 1
1 120 . 14 1 1 A 20 20 LEU CB C 20 43.750 41.944 1.806 1
1 124 . 14 1 1 A 20 20 LEU N N 20 119.770 118.795 0.975 1
1 125 . 14 1 1 A 21 21 CYS H H 21 8.159 7.292 0.867 1
1 126 . 14 1 1 A 21 21 CYS HA H 21 4.962 4.538 0.424 1
1 129 . 14 1 1 A 21 21 CYS C C 21 176.947 175.464 1.483 1
1 130 . 14 1 1 A 21 21 CYS CA C 21 59.137 59.888 -0.751 1
1 131 . 14 1 1 A 21 21 CYS CB C 21 31.728 29.131 2.597 1
1 132 . 14 1 1 A 21 21 CYS N N 21 116.713 113.423 3.290 1
1 133 . 14 1 1 A 22 22 GLY H H 22 8.088 8.177 -0.089 1
1 134 . 14 1 1 A 22 22 GLY HA2 H 22 4.160 3.985 0.175 1
1 135 . 14 1 1 A 22 22 GLY HA3 H 22 3.865 4.005 -0.140 1
1 136 . 14 1 1 A 22 22 GLY C C 22 173.190 174.084 -0.894 1
1 137 . 14 1 1 A 22 22 GLY CA C 22 46.556 45.654 0.902 1
1 138 . 14 1 1 A 22 22 GLY N N 22 112.000 110.124 1.876 1
1 139 . 14 1 1 A 23 23 GLU H H 23 8.378 8.101 0.277 1
1 140 . 14 1 1 A 23 23 GLU HA H 23 4.712 4.792 -0.080 1
1 145 . 14 1 1 A 23 23 GLU C C 23 176.434 175.812 0.622 1
1 146 . 14 1 1 A 23 23 GLU CA C 23 55.014 54.675 0.339 1
1 147 . 14 1 1 A 23 23 GLU CB C 23 31.557 31.833 -0.276 1
1 149 . 14 1 1 A 23 23 GLU N N 23 118.877 119.079 -0.202 1
1 150 . 14 1 1 A 24 24 HIS H H 24 8.666 8.782 -0.116 1
1 151 . 14 1 1 A 24 24 HIS HA H 24 4.333 4.574 -0.241 1
1 156 . 14 1 1 A 24 24 HIS C C 24 175.281 174.504 0.777 1
1 157 . 14 1 1 A 24 24 HIS CA C 24 58.186 57.943 0.243 1
1 158 . 14 1 1 A 24 24 HIS CB C 24 30.099 30.732 -0.633 1
1 161 . 14 1 1 A 24 24 HIS N N 24 118.732 121.588 -2.856 1
1 162 . 14 1 1 A 25 25 LEU H H 25 7.928 8.211 -0.283 1
1 163 . 14 1 1 A 25 25 LEU HA H 25 4.174 5.243 -1.069 1
1 173 . 14 1 1 A 25 25 LEU C C 25 175.186 175.379 -0.193 1
1 174 . 14 1 1 A 25 25 LEU CA C 25 53.992 53.314 0.678 1
1 175 . 14 1 1 A 25 25 LEU CB C 25 43.742 45.828 -2.086 1
1 179 . 14 1 1 A 25 25 LEU N N 25 125.590 124.142 1.448 1
1 180 . 14 1 1 A 26 26 TYR H H 26 8.768 8.853 -0.085 1
1 181 . 14 1 1 A 26 26 TYR HA H 26 4.651 5.115 -0.464 1
1 188 . 14 1 1 A 26 26 TYR C C 26 177.267 177.291 -0.024 1
1 189 . 14 1 1 A 26 26 TYR CA C 26 57.270 56.129 1.141 1
1 190 . 14 1 1 A 26 26 TYR CB C 26 38.210 40.958 -2.748 1
1 195 . 14 1 1 A 26 26 TYR N N 26 123.119 122.415 0.704 1
1 196 . 14 1 1 A 27 27 VAL H H 27 8.086 7.973 0.113 1
1 197 . 14 1 1 A 27 27 VAL HA H 27 3.809 3.703 0.106 1
1 205 . 14 1 1 A 27 27 VAL C C 27 176.958 175.949 1.009 1
1 206 . 14 1 1 A 27 27 VAL CA C 27 64.551 64.749 -0.198 1
1 207 . 14 1 1 A 27 27 VAL CB C 27 31.788 31.320 0.468 1
1 210 . 14 1 1 A 27 27 VAL N N 27 121.055 123.818 -2.763 1
1 211 . 14 1 1 A 28 28 LEU H H 28 7.665 7.776 -0.111 1
1 212 . 14 1 1 A 28 28 LEU HA H 28 4.285 4.414 -0.129 1
1 222 . 14 1 1 A 28 28 LEU C C 28 177.710 178.395 -0.685 1
1 223 . 14 1 1 A 28 28 LEU CA C 28 56.297 56.421 -0.124 1
1 224 . 14 1 1 A 28 28 LEU CB C 28 41.998 43.366 -1.368 1
1 228 . 14 1 1 A 28 28 LEU N N 28 119.062 121.000 -1.938 1
1 229 . 14 1 1 A 29 29 GLU H H 29 7.961 8.591 -0.630 1
1 230 . 14 1 1 A 29 29 GLU HA H 29 4.479 4.152 0.327 1
1 235 . 14 1 1 A 29 29 GLU C C 29 175.755 176.891 -1.136 1
1 236 . 14 1 1 A 29 29 GLU CA C 29 56.248 59.765 -3.517 1
1 237 . 14 1 1 A 29 29 GLU CB C 29 30.550 29.532 1.018 1
1 239 . 14 1 1 A 29 29 GLU N N 29 117.067 118.710 -1.643 1
1 240 . 14 1 1 A 30 30 ARG H H 30 7.724 7.494 0.230 1
1 241 . 14 1 1 A 30 30 ARG HA H 30 4.688 4.426 0.262 1
1 248 . 14 1 1 A 30 30 ARG C C 30 174.546 175.769 -1.223 1
1 249 . 14 1 1 A 30 30 ARG CA C 30 55.948 56.351 -0.403 1
1 250 . 14 1 1 A 30 30 ARG CB C 30 33.034 30.435 2.599 1
1 253 . 14 1 1 A 30 30 ARG N N 30 120.305 118.756 1.549 1
1 254 . 14 1 1 A 31 31 LEU H H 31 8.970 9.203 -0.233 1
1 255 . 14 1 1 A 31 31 LEU HA H 31 4.635 4.780 -0.145 1
1 265 . 14 1 1 A 31 31 LEU C C 31 174.536 175.272 -0.736 1
1 266 . 14 1 1 A 31 31 LEU CA C 31 54.168 53.743 0.425 1
1 267 . 14 1 1 A 31 31 LEU CB C 31 45.021 42.487 2.534 1
1 271 . 14 1 1 A 31 31 LEU N N 31 124.553 124.620 -0.067 1
1 272 . 14 1 1 A 32 32 CYS H H 32 8.558 8.949 -0.391 1
1 273 . 14 1 1 A 32 32 CYS HA H 32 4.954 4.203 0.751 1
1 276 . 14 1 1 A 32 32 CYS C C 32 174.418 173.794 0.624 1
1 277 . 14 1 1 A 32 32 CYS CA C 32 56.874 59.093 -2.219 1
1 278 . 14 1 1 A 32 32 CYS CB C 32 28.054 27.412 0.642 1
1 279 . 14 1 1 A 32 32 CYS N N 32 124.126 124.722 -0.596 1
1 280 . 14 1 1 A 33 33 VAL H H 33 8.893 8.913 -0.020 1
1 281 . 14 1 1 A 33 33 VAL HA H 33 4.103 4.357 -0.254 1
1 289 . 14 1 1 A 33 33 VAL C C 33 175.525 175.984 -0.459 1
1 290 . 14 1 1 A 33 33 VAL CA C 33 61.551 61.053 0.498 1
1 291 . 14 1 1 A 33 33 VAL CB C 33 34.027 33.647 0.380 1
1 294 . 14 1 1 A 33 33 VAL N N 33 129.037 128.235 0.802 1
1 295 . 14 1 1 A 34 34 ASN HA H 34 4.389 4.418 -0.029 1
1 300 . 14 1 1 A 34 34 ASN C C 34 174.946 175.255 -0.309 1
1 301 . 14 1 1 A 34 34 ASN CA C 34 53.922 54.603 -0.681 1
1 302 . 14 1 1 A 34 34 ASN CB C 34 37.332 37.070 0.262 1
1 304 . 14 1 1 A 35 35 GLY H H 35 7.896 8.050 -0.154 1
1 305 . 14 1 1 A 35 35 GLY HA2 H 35 3.891 3.641 0.250 1
1 306 . 14 1 1 A 35 35 GLY HA3 H 35 3.180 3.688 -0.508 1
1 307 . 14 1 1 A 35 35 GLY C C 35 172.892 174.596 -1.704 1
1 308 . 14 1 1 A 35 35 GLY CA C 35 45.290 44.877 0.413 1
1 309 . 14 1 1 A 35 35 GLY N N 35 102.630 104.779 -2.149 1
1 310 . 14 1 1 A 36 36 HIS H H 36 7.694 7.043 0.651 1
1 311 . 14 1 1 A 36 36 HIS HA H 36 4.433 4.445 -0.012 1
1 315 . 14 1 1 A 36 36 HIS C C 36 172.910 173.733 -0.823 1
1 316 . 14 1 1 A 36 36 HIS CA C 36 54.433 55.971 -1.538 1
1 317 . 14 1 1 A 36 36 HIS CB C 36 32.464 30.735 1.729 1
1 319 . 14 1 1 A 36 36 HIS N N 36 119.651 118.232 1.419 1
1 320 . 14 1 1 A 37 37 PHE H H 37 8.502 8.622 -0.120 1
1 321 . 14 1 1 A 37 37 PHE HA H 37 5.314 5.383 -0.069 1
1 329 . 14 1 1 A 37 37 PHE C C 37 174.239 174.082 0.157 1
1 330 . 14 1 1 A 37 37 PHE CA C 37 56.424 56.320 0.104 1
1 331 . 14 1 1 A 37 37 PHE CB C 37 41.572 43.078 -1.506 1
1 337 . 14 1 1 A 37 37 PHE N N 37 119.583 118.157 1.426 1
1 338 . 14 1 1 A 38 38 PHE H H 38 8.664 8.980 -0.316 1
1 339 . 14 1 1 A 38 38 PHE HA H 38 5.866 4.818 1.048 1
1 347 . 14 1 1 A 38 38 PHE C C 38 177.496 175.029 2.467 1
1 348 . 14 1 1 A 38 38 PHE CA C 38 55.296 56.426 -1.130 1
1 349 . 14 1 1 A 38 38 PHE CB C 38 44.392 42.974 1.418 1
1 355 . 14 1 1 A 38 38 PHE N N 38 116.719 119.447 -2.728 1
1 356 . 14 1 1 A 39 39 HIS H H 39 8.854 8.718 0.136 1
1 357 . 14 1 1 A 39 39 HIS HA H 39 4.675 4.762 -0.087 1
1 362 . 14 1 1 A 39 39 HIS C C 39 178.476 177.144 1.332 1
1 363 . 14 1 1 A 39 39 HIS CA C 39 59.297 56.689 2.608 1
1 364 . 14 1 1 A 39 39 HIS CB C 39 30.980 30.709 0.271 1
1 367 . 14 1 1 A 39 39 HIS N N 39 120.015 120.271 -0.256 1
1 368 . 14 1 1 A 40 40 ARG H H 40 9.256 9.202 0.054 1
1 369 . 14 1 1 A 40 40 ARG HA H 40 3.965 3.998 -0.033 1
1 376 . 14 1 1 A 40 40 ARG C C 40 179.459 178.347 1.112 1
1 377 . 14 1 1 A 40 40 ARG CA C 40 60.547 60.004 0.543 1
1 378 . 14 1 1 A 40 40 ARG CB C 40 29.598 29.736 -0.138 1
1 381 . 14 1 1 A 40 40 ARG N N 40 126.206 123.744 2.462 1
1 382 . 14 1 1 A 41 41 SER H H 41 8.643 8.005 0.638 1
1 383 . 14 1 1 A 41 41 SER HA H 41 4.221 4.219 0.002 1
1 386 . 14 1 1 A 41 41 SER C C 41 175.499 175.814 -0.315 1
1 387 . 14 1 1 A 41 41 SER CA C 41 60.160 62.148 -1.988 1
1 388 . 14 1 1 A 41 41 SER CB C 41 62.847 63.653 -0.806 1
1 389 . 14 1 1 A 41 41 SER N N 41 109.970 116.215 -6.245 1
1 390 . 14 1 1 A 42 42 CYS H H 42 7.427 8.291 -0.864 1
1 391 . 14 1 1 A 42 42 CYS HA H 42 4.306 4.223 0.083 1
1 394 . 14 1 1 A 42 42 CYS C C 42 174.200 175.907 -1.707 1
1 395 . 14 1 1 A 42 42 CYS CA C 42 61.569 63.261 -1.692 1
1 396 . 14 1 1 A 42 42 CYS CB C 42 30.945 27.103 3.842 1
1 397 . 14 1 1 A 42 42 CYS N N 42 118.020 120.357 -2.337 1
1 398 . 14 1 1 A 43 43 PHE H H 43 7.257 7.999 -0.742 1
1 399 . 14 1 1 A 43 43 PHE HA H 43 4.122 4.419 -0.297 1
1 407 . 14 1 1 A 43 43 PHE C C 43 172.037 174.291 -2.254 1
1 408 . 14 1 1 A 43 43 PHE CA C 43 57.112 57.818 -0.706 1
1 409 . 14 1 1 A 43 43 PHE CB C 43 37.448 38.732 -1.284 1
1 415 . 14 1 1 A 43 43 PHE N N 43 122.965 121.342 1.623 1
1 416 . 14 1 1 A 44 44 ARG H H 44 7.110 8.287 -1.177 1
1 417 . 14 1 1 A 44 44 ARG HA H 44 4.821 4.697 0.124 1
1 424 . 14 1 1 A 44 44 ARG C C 44 174.097 174.016 0.081 1
1 425 . 14 1 1 A 44 44 ARG CA C 44 53.323 54.198 -0.875 1
1 426 . 14 1 1 A 44 44 ARG CB C 44 34.911 33.014 1.897 1
1 429 . 14 1 1 A 44 44 ARG N N 44 123.199 122.915 0.284 1
1 430 . 14 1 1 A 45 45 CYS H H 45 8.580 8.666 -0.086 1
1 431 . 14 1 1 A 45 45 CYS HA H 45 4.055 4.378 -0.323 1
1 434 . 14 1 1 A 45 45 CYS C C 45 177.493 175.382 2.111 1
1 435 . 14 1 1 A 45 45 CYS CA C 45 59.878 59.767 0.111 1
1 436 . 14 1 1 A 45 45 CYS CB C 45 32.052 28.793 3.259 1
1 437 . 14 1 1 A 45 45 CYS N N 45 121.527 120.224 1.303 1
1 438 . 14 1 1 A 46 46 HIS H H 46 9.187 8.593 0.594 1
1 439 . 14 1 1 A 46 46 HIS HA H 46 4.184 4.562 -0.378 1
1 443 . 14 1 1 A 46 46 HIS C C 46 175.000 176.351 -1.351 1
1 444 . 14 1 1 A 46 46 HIS CA C 46 59.137 57.267 1.870 1
1 445 . 14 1 1 A 46 46 HIS CB C 46 29.560 30.554 -0.994 1
1 447 . 14 1 1 A 46 46 HIS N N 46 130.205 124.959 5.246 1
1 448 . 14 1 1 A 47 47 THR H H 47 8.848 7.578 1.270 1
1 449 . 14 1 1 A 47 47 THR HA H 47 4.134 4.383 -0.249 1
1 454 . 14 1 1 A 47 47 THR C C 47 174.926 175.935 -1.009 1
1 455 . 14 1 1 A 47 47 THR CA C 47 65.535 63.338 2.197 1
1 456 . 14 1 1 A 47 47 THR CB C 47 70.010 70.580 -0.570 1
1 458 . 14 1 1 A 47 47 THR N N 47 116.066 111.651 4.415 1
1 459 . 14 1 1 A 48 48 CYS H H 48 8.181 8.152 0.029 1
1 460 . 14 1 1 A 48 48 CYS HA H 48 4.821 4.596 0.225 1
1 463 . 14 1 1 A 48 48 CYS C C 48 176.004 174.818 1.186 1
1 464 . 14 1 1 A 48 48 CYS CA C 48 59.050 58.337 0.713 1
1 465 . 14 1 1 A 48 48 CYS CB C 48 32.944 29.538 3.406 1
1 466 . 14 1 1 A 48 48 CYS N N 48 119.626 116.300 3.326 1
1 467 . 14 1 1 A 49 49 GLU H H 49 8.081 8.004 0.077 1
1 468 . 14 1 1 A 49 49 GLU HA H 49 3.865 4.180 -0.315 1
1 473 . 14 1 1 A 49 49 GLU C C 49 174.137 174.925 -0.788 1
1 474 . 14 1 1 A 49 49 GLU CA C 49 58.732 57.370 1.362 1
1 475 . 14 1 1 A 49 49 GLU CB C 49 27.345 27.209 0.136 1
1 477 . 14 1 1 A 49 49 GLU N N 49 116.307 116.573 -0.266 1
1 478 . 14 1 1 A 50 50 ALA H H 50 8.498 7.750 0.748 1
1 479 . 14 1 1 A 50 50 ALA HA H 50 4.388 4.454 -0.066 1
1 483 . 14 1 1 A 50 50 ALA C C 50 178.362 176.863 1.499 1
1 484 . 14 1 1 A 50 50 ALA CA C 50 53.111 50.937 2.174 1
1 485 . 14 1 1 A 50 50 ALA CB C 50 20.334 20.258 0.076 1
1 486 . 14 1 1 A 50 50 ALA N N 50 124.211 120.491 3.720 1
1 487 . 14 1 1 A 51 51 THR H H 51 8.470 8.524 -0.054 1
1 488 . 14 1 1 A 51 51 THR HA H 51 3.811 4.089 -0.278 1
1 493 . 14 1 1 A 51 51 THR C C 51 173.931 173.869 0.062 1
1 494 . 14 1 1 A 51 51 THR CA C 51 64.345 64.012 0.333 1
1 495 . 14 1 1 A 51 51 THR CB C 51 69.428 68.537 0.891 1
1 497 . 14 1 1 A 51 51 THR N N 51 117.025 117.904 -0.879 1
1 498 . 14 1 1 A 52 52 LEU H H 52 7.421 8.077 -0.656 1
1 499 . 14 1 1 A 52 52 LEU HA H 52 4.439 4.526 -0.087 1
1 509 . 14 1 1 A 52 52 LEU C C 52 175.390 175.716 -0.326 1
1 510 . 14 1 1 A 52 52 LEU CA C 52 53.728 54.044 -0.316 1
1 511 . 14 1 1 A 52 52 LEU CB C 52 42.020 40.537 1.483 1
1 515 . 14 1 1 A 52 52 LEU N N 52 125.339 127.747 -2.408 1
1 516 . 14 1 1 A 53 53 TRP H H 53 8.089 8.159 -0.070 1
1 517 . 14 1 1 A 53 53 TRP HA H 53 5.148 4.774 0.374 1
1 526 . 14 1 1 A 53 53 TRP C C 53 173.534 176.853 -3.319 1
1 527 . 14 1 1 A 53 53 TRP CA C 53 54.345 56.722 -2.377 1
1 528 . 14 1 1 A 53 53 TRP CB C 53 30.134 29.305 0.829 1
1 534 . 14 1 1 A 53 53 TRP N N 53 120.731 126.633 -5.902 1
1 536 . 14 1 1 A 54 54 PRO HA H 54 4.553 4.644 -0.091 1
1 543 . 14 1 1 A 54 54 PRO CA C 54 64.882 64.097 0.785 1
1 544 . 14 1 1 A 54 54 PRO CB C 54 31.969 31.550 0.419 1
1 547 . 14 1 1 A 55 55 GLY HA2 H 55 4.330 4.155 0.175 1
1 548 . 14 1 1 A 55 55 GLY HA3 H 55 3.795 4.163 -0.368 1
1 549 . 14 1 1 A 55 55 GLY C C 55 175.195 173.731 1.464 1
1 550 . 14 1 1 A 55 55 GLY CA C 55 45.586 45.809 -0.223 1
1 551 . 14 1 1 A 56 56 GLY H H 56 8.653 7.336 1.317 1
1 552 . 14 1 1 A 56 56 GLY HA2 H 56 4.567 4.243 0.324 1
1 553 . 14 1 1 A 56 56 GLY HA3 H 56 3.380 4.304 -0.924 1
1 554 . 14 1 1 A 56 56 GLY C C 56 174.377 172.721 1.656 1
1 555 . 14 1 1 A 56 56 GLY CA C 56 45.237 45.904 -0.667 1
1 556 . 14 1 1 A 56 56 GLY N N 56 107.803 107.204 0.599 1
1 557 . 14 1 1 A 57 57 TYR H H 57 7.269 7.898 -0.629 1
1 558 . 14 1 1 A 57 57 TYR HA H 57 5.600 5.222 0.378 1
1 565 . 14 1 1 A 57 57 TYR C C 57 173.258 173.349 -0.091 1
1 566 . 14 1 1 A 57 57 TYR CA C 57 55.666 56.384 -0.718 1
1 567 . 14 1 1 A 57 57 TYR CB C 57 44.451 40.734 3.717 1
1 572 . 14 1 1 A 57 57 TYR N N 57 116.315 116.106 0.209 1
1 573 . 14 1 1 A 58 58 GLU H H 58 8.948 8.952 -0.004 1
1 574 . 14 1 1 A 58 58 GLU HA H 58 4.546 4.799 -0.253 1
1 579 . 14 1 1 A 58 58 GLU C C 58 174.242 174.639 -0.397 1
1 580 . 14 1 1 A 58 58 GLU CA C 58 55.790 54.822 0.968 1
1 581 . 14 1 1 A 58 58 GLU CB C 58 35.177 34.316 0.861 1
1 583 . 14 1 1 A 58 58 GLU N N 58 117.931 119.370 -1.439 1
1 584 . 14 1 1 A 59 59 GLN H H 59 9.205 8.981 0.224 1
1 585 . 14 1 1 A 59 59 GLN HA H 59 4.760 5.219 -0.459 1
1 592 . 14 1 1 A 59 59 GLN C C 59 175.807 175.490 0.317 1
1 593 . 14 1 1 A 59 59 GLN CA C 59 53.904 54.194 -0.290 1
1 594 . 14 1 1 A 59 59 GLN CB C 59 29.530 30.031 -0.501 1
1 596 . 14 1 1 A 59 59 GLN N N 59 123.928 122.945 0.983 1
1 598 . 14 1 1 A 60 60 HIS H H 60 9.330 8.622 0.708 1
1 599 . 14 1 1 A 60 60 HIS HA H 60 4.945 4.475 0.470 1
1 604 . 14 1 1 A 60 60 HIS C C 60 175.428 175.527 -0.099 1
1 605 . 14 1 1 A 60 60 HIS CA C 60 54.556 55.299 -0.743 1
1 606 . 14 1 1 A 60 60 HIS CB C 60 32.329 30.900 1.429 1
1 609 . 14 1 1 A 60 60 HIS N N 60 131.634 127.299 4.335 1
1 610 . 14 1 1 A 61 61 PRO HA H 61 4.269 4.106 0.163 1
1 617 . 14 1 1 A 61 61 PRO CA C 61 64.043 64.758 -0.715 1
1 618 . 14 1 1 A 61 61 PRO CB C 61 31.752 31.753 -0.001 1
1 621 . 14 1 1 A 62 62 GLY H H 62 7.210 7.722 -0.512 1
1 622 . 14 1 1 A 62 62 GLY HA2 H 62 3.928 3.669 0.259 1
1 623 . 14 1 1 A 62 62 GLY HA3 H 62 3.666 3.796 -0.130 1
1 624 . 14 1 1 A 62 62 GLY CA C 62 46.610 46.989 -0.379 1
1 625 . 14 1 1 A 62 62 GLY N N 62 105.065 105.825 -0.760 1
1 626 . 14 1 1 A 63 63 ASP H H 63 8.237 8.141 0.096 1
1 627 . 14 1 1 A 63 63 ASP HA H 63 4.648 4.497 0.151 1
1 630 . 14 1 1 A 63 63 ASP C C 63 177.303 176.445 0.858 1
1 631 . 14 1 1 A 63 63 ASP CA C 63 53.182 56.079 -2.897 1
1 632 . 14 1 1 A 63 63 ASP CB C 63 42.216 41.322 0.894 1
1 633 . 14 1 1 A 63 63 ASP N N 63 118.685 122.431 -3.746 1
1 634 . 14 1 1 A 64 64 GLY H H 64 8.315 8.098 0.217 1
1 635 . 14 1 1 A 64 64 GLY HA2 H 64 3.900 3.877 0.023 1
1 636 . 14 1 1 A 64 64 GLY HA3 H 64 3.635 3.911 -0.276 1
1 637 . 14 1 1 A 64 64 GLY C C 64 174.457 173.654 0.803 1
1 638 . 14 1 1 A 64 64 GLY CA C 64 46.004 45.688 0.316 1
1 639 . 14 1 1 A 64 64 GLY N N 64 109.742 106.843 2.899 1
1 640 . 14 1 1 A 65 65 HIS H H 65 9.101 7.975 1.126 1
1 641 . 14 1 1 A 65 65 HIS HA H 65 4.675 4.865 -0.190 1
1 645 . 14 1 1 A 65 65 HIS C C 65 173.603 173.473 0.130 1
1 646 . 14 1 1 A 65 65 HIS CA C 65 55.208 54.714 0.494 1
1 647 . 14 1 1 A 65 65 HIS CB C 65 30.321 34.105 -3.784 1
1 649 . 14 1 1 A 65 65 HIS N N 65 121.111 116.813 4.298 1
1 650 . 14 1 1 A 66 66 PHE H H 66 8.841 8.568 0.273 1
1 651 . 14 1 1 A 66 66 PHE HA H 66 5.005 5.403 -0.398 1
1 659 . 14 1 1 A 66 66 PHE C C 66 174.272 174.356 -0.084 1
1 660 . 14 1 1 A 66 66 PHE CA C 66 57.904 56.119 1.785 1
1 661 . 14 1 1 A 66 66 PHE CB C 66 40.990 41.035 -0.045 1
1 667 . 14 1 1 A 66 66 PHE N N 66 118.465 117.901 0.564 1
1 668 . 14 1 1 A 67 67 TYR H H 67 8.714 9.234 -0.520 1
1 669 . 14 1 1 A 67 67 TYR HA H 67 5.676 5.139 0.537 1
1 676 . 14 1 1 A 67 67 TYR C C 67 176.345 175.879 0.466 1
1 677 . 14 1 1 A 67 67 TYR CA C 67 56.829 56.516 0.313 1
1 678 . 14 1 1 A 67 67 TYR CB C 67 43.668 43.240 0.428 1
1 683 . 14 1 1 A 67 67 TYR N N 67 117.828 121.666 -3.838 1
1 684 . 14 1 1 A 68 68 CYS H H 68 9.524 8.612 0.912 1
1 685 . 14 1 1 A 68 68 CYS HA H 68 5.152 4.881 0.271 1
1 688 . 14 1 1 A 68 68 CYS C C 68 176.563 176.233 0.330 1
1 689 . 14 1 1 A 68 68 CYS CA C 68 58.468 58.352 0.116 1
1 690 . 14 1 1 A 68 68 CYS CB C 68 29.373 29.576 -0.203 1
1 691 . 14 1 1 A 68 68 CYS N N 68 120.631 120.460 0.171 1
1 692 . 14 1 1 A 69 69 LEU H H 69 7.630 8.754 -1.124 1
1 693 . 14 1 1 A 69 69 LEU HA H 69 3.952 4.404 -0.452 1
1 703 . 14 1 1 A 69 69 LEU C C 69 179.373 176.864 2.509 1
1 704 . 14 1 1 A 69 69 LEU CA C 69 58.080 55.347 2.733 1
1 705 . 14 1 1 A 69 69 LEU CB C 69 40.125 41.325 -1.200 1
1 709 . 14 1 1 A 69 69 LEU N N 69 117.279 122.409 -5.130 1
1 710 . 14 1 1 A 70 70 GLN H H 70 8.159 8.302 -0.143 1
1 711 . 14 1 1 A 70 70 GLN HA H 70 4.106 4.712 -0.606 1
1 718 . 14 1 1 A 70 70 GLN C C 70 177.094 177.092 0.002 1
1 719 . 14 1 1 A 70 70 GLN CA C 70 57.781 56.774 1.007 1
1 720 . 14 1 1 A 70 70 GLN CB C 70 28.537 31.354 -2.817 1
1 722 . 14 1 1 A 70 70 GLN N N 70 115.749 119.359 -3.610 1
1 724 . 14 1 1 A 71 71 HIS H H 71 7.651 7.634 0.017 1
1 725 . 14 1 1 A 71 71 HIS HA H 71 4.917 4.764 0.153 1
1 730 . 14 1 1 A 71 71 HIS C C 71 173.431 174.883 -1.452 1
1 731 . 14 1 1 A 71 71 HIS CA C 71 56.142 56.253 -0.111 1
1 732 . 14 1 1 A 71 71 HIS CB C 71 33.010 31.525 1.485 1
1 735 . 14 1 1 A 71 71 HIS N N 71 116.846 115.146 1.700 1
1 736 . 14 1 1 A 72 72 LEU H H 72 7.154 7.437 -0.283 1
1 737 . 14 1 1 A 72 72 LEU HA H 72 3.772 4.136 -0.364 1
1 747 . 14 1 1 A 72 72 LEU C C 72 174.748 175.128 -0.380 1
1 748 . 14 1 1 A 72 72 LEU CA C 72 53.499 53.282 0.217 1
1 749 . 14 1 1 A 72 72 LEU CB C 72 42.729 43.099 -0.370 1
1 753 . 14 1 1 A 72 72 LEU N N 72 124.029 121.888 2.141 1
1 754 . 14 1 1 A 73 73 PRO HA H 73 4.145 4.485 -0.340 1
1 761 . 14 1 1 A 73 73 PRO C C 73 175.785 175.592 0.193 1
1 762 . 14 1 1 A 73 73 PRO CA C 73 63.050 62.276 0.774 1
1 763 . 14 1 1 A 73 73 PRO CB C 73 32.055 32.543 -0.488 1
1 766 . 14 1 1 A 74 74 GLN H H 74 8.359 8.688 -0.329 1
1 767 . 14 1 1 A 74 74 GLN HA H 74 4.386 4.973 -0.587 1
1 774 . 14 1 1 A 74 74 GLN C C 74 176.731 175.975 0.756 1
1 775 . 14 1 1 A 74 74 GLN CA C 74 55.526 54.778 0.748 1
1 776 . 14 1 1 A 74 74 GLN CB C 74 29.817 31.084 -1.267 1
1 778 . 14 1 1 A 74 74 GLN N N 74 120.467 119.588 0.879 1
1 780 . 14 1 1 A 75 75 THR H H 75 8.368 8.985 -0.617 1
1 781 . 14 1 1 A 75 75 THR HA H 75 4.390 4.002 0.388 1
1 786 . 14 1 1 A 75 75 THR C C 75 174.257 174.969 -0.712 1
1 787 . 14 1 1 A 75 75 THR CA C 75 61.993 66.215 -4.222 1
1 788 . 14 1 1 A 75 75 THR CB C 75 69.991 69.366 0.625 1
1 790 . 14 1 1 A 75 75 THR N N 75 116.318 120.557 -4.239 1
1 791 . 14 1 1 A 76 76 ASP H H 76 8.528 7.833 0.695 1
1 792 . 14 1 1 A 76 76 ASP HA H 76 4.700 4.466 0.234 1
1 795 . 14 1 1 A 76 76 ASP C C 76 176.200 176.171 0.029 1
1 796 . 14 1 1 A 76 76 ASP CA C 76 54.363 55.359 -0.996 1
1 797 . 14 1 1 A 76 76 ASP CB C 76 41.362 41.030 0.332 1
1 798 . 14 1 1 A 76 76 ASP N N 76 123.204 120.924 2.280 1
1 799 . 14 1 1 A 77 77 SER H H 77 8.346 8.811 -0.465 1
1 800 . 14 1 1 A 77 77 SER HA H 77 4.497 4.845 -0.348 1
1 803 . 14 1 1 A 77 77 SER C C 77 174.724 175.237 -0.513 1
1 804 . 14 1 1 A 77 77 SER CA C 77 58.451 57.287 1.164 1
1 805 . 14 1 1 A 77 77 SER CB C 77 64.101 66.140 -2.039 1
1 806 . 14 1 1 A 77 77 SER N N 77 116.515 120.768 -4.253 1
1 807 . 14 1 1 A 78 78 GLY H H 78 8.330 8.737 -0.407 1
1 808 . 14 1 1 A 78 78 GLY HA2 H 78 4.135 3.833 0.302 1
1 809 . 14 1 1 A 78 78 GLY HA3 H 78 4.135 3.834 0.301 1
1 810 . 14 1 1 A 78 78 GLY C C 78 171.883 175.092 -3.209 1
1 811 . 14 1 1 A 78 78 GLY CA C 78 44.745 48.097 -3.352 1
1 812 . 14 1 1 A 78 78 GLY N N 78 110.837 111.685 -0.848 1
1 813 . 14 1 1 A 79 79 PRO HA H 79 4.501 4.596 -0.095 1
1 820 . 14 1 1 A 79 79 PRO C C 79 177.463 175.642 1.821 1
1 821 . 14 1 1 A 79 79 PRO CA C 79 63.332 62.864 0.468 1
1 822 . 14 1 1 A 79 79 PRO CB C 79 32.229 32.685 -0.456 1
1 825 . 14 1 1 A 80 80 SER H H 80 8.531 8.805 -0.274 1
1 826 . 14 1 1 A 80 80 SER HA H 80 4.521 4.730 -0.209 1
1 829 . 14 1 1 A 80 80 SER C C 80 174.760 173.809 0.951 1
1 830 . 14 1 1 A 80 80 SER CA C 80 58.398 57.942 0.456 1
1 831 . 14 1 1 A 80 80 SER CB C 80 63.978 63.440 0.538 1
1 832 . 14 1 1 A 80 80 SER N N 80 116.479 119.607 -3.128 1
1 833 . 14 1 1 A 81 81 SER H H 81 8.358 8.791 -0.433 1
1 834 . 14 1 1 A 81 81 SER HA H 81 4.530 4.281 0.249 1
1 837 . 14 1 1 A 81 81 SER C C 81 173.982 175.125 -1.143 1
1 838 . 14 1 1 A 81 81 SER CA C 81 58.416 59.808 -1.392 1
1 839 . 14 1 1 A 81 81 SER CB C 81 64.082 62.647 1.435 1
1 840 . 14 1 1 A 81 81 SER N N 81 117.964 122.472 -4.508 1
1 1 . 15 1 1 A 9 9 HIS HA H 9 4.627 5.180 -0.553 1
1 5 . 15 1 1 A 9 9 HIS C C 9 175.239 171.551 3.688 1
1 6 . 15 1 1 A 9 9 HIS CA C 9 56.347 54.059 2.288 1
1 7 . 15 1 1 A 9 9 HIS CB C 9 30.681 32.092 -1.411 1
1 9 . 15 1 1 A 10 10 GLN H H 10 8.313 8.710 -0.397 1
1 10 . 15 1 1 A 10 10 GLN HA H 10 4.323 4.610 -0.287 1
1 17 . 15 1 1 A 10 10 GLN C C 10 175.703 175.863 -0.160 1
1 18 . 15 1 1 A 10 10 GLN CA C 10 55.875 54.073 1.802 1
1 19 . 15 1 1 A 10 10 GLN CB C 10 29.726 31.034 -1.308 1
1 21 . 15 1 1 A 10 10 GLN N N 10 122.031 120.640 1.391 1
1 23 . 15 1 1 A 11 11 GLU H H 11 8.546 8.851 -0.305 1
1 24 . 15 1 1 A 11 11 GLU HA H 11 4.275 3.868 0.407 1
1 29 . 15 1 1 A 11 11 GLU C C 11 176.303 176.734 -0.431 1
1 30 . 15 1 1 A 11 11 GLU CA C 11 56.472 60.147 -3.675 1
1 31 . 15 1 1 A 11 11 GLU CB C 11 30.303 29.941 0.362 1
1 33 . 15 1 1 A 11 11 GLU N N 11 122.648 126.772 -4.124 1
1 34 . 15 1 1 A 12 12 ALA H H 12 8.403 7.842 0.561 1
1 35 . 15 1 1 A 12 12 ALA HA H 12 4.288 4.544 -0.256 1
1 39 . 15 1 1 A 12 12 ALA C C 12 178.231 176.634 1.597 1
1 40 . 15 1 1 A 12 12 ALA CA C 12 52.759 50.768 1.991 1
1 41 . 15 1 1 A 12 12 ALA CB C 12 19.237 19.207 0.030 1
1 42 . 15 1 1 A 12 12 ALA N N 12 125.516 119.812 5.704 1
1 43 . 15 1 1 A 13 13 GLY H H 13 8.490 8.702 -0.212 1
1 44 . 15 1 1 A 13 13 GLY HA2 H 13 3.994 4.083 -0.089 1
1 45 . 15 1 1 A 13 13 GLY HA3 H 13 3.890 4.088 -0.198 1
1 46 . 15 1 1 A 13 13 GLY C C 13 174.176 174.414 -0.238 1
1 47 . 15 1 1 A 13 13 GLY CA C 13 45.094 44.488 0.606 1
1 48 . 15 1 1 A 13 13 GLY N N 13 108.839 109.615 -0.776 1
1 49 . 15 1 1 A 14 14 ALA H H 14 8.172 8.526 -0.354 1
1 50 . 15 1 1 A 14 14 ALA HA H 14 4.246 4.300 -0.054 1
1 54 . 15 1 1 A 14 14 ALA C C 14 178.304 177.868 0.436 1
1 55 . 15 1 1 A 14 14 ALA CA C 14 52.988 53.311 -0.323 1
1 56 . 15 1 1 A 14 14 ALA CB C 14 19.228 20.499 -1.271 1
1 57 . 15 1 1 A 14 14 ALA N N 14 123.459 122.147 1.312 1
1 58 . 15 1 1 A 15 15 GLY H H 15 8.329 7.923 0.406 1
1 59 . 15 1 1 A 15 15 GLY HA2 H 15 3.578 3.889 -0.311 1
1 60 . 15 1 1 A 15 15 GLY HA3 H 15 3.578 3.906 -0.328 1
1 61 . 15 1 1 A 15 15 GLY C C 15 173.577 174.841 -1.264 1
1 62 . 15 1 1 A 15 15 GLY CA C 15 45.128 45.095 0.033 1
1 63 . 15 1 1 A 15 15 GLY N N 15 107.276 107.220 0.056 1
1 64 . 15 1 1 A 16 16 ASP H H 16 7.898 7.890 0.008 1
1 65 . 15 1 1 A 16 16 ASP HA H 16 4.547 4.600 -0.053 1
1 68 . 15 1 1 A 16 16 ASP C C 16 174.898 174.180 0.718 1
1 69 . 15 1 1 A 16 16 ASP CA C 16 54.344 53.611 0.733 1
1 70 . 15 1 1 A 16 16 ASP CB C 16 41.534 39.353 2.181 1
1 71 . 15 1 1 A 16 16 ASP N N 16 118.642 121.416 -2.774 1
1 72 . 15 1 1 A 17 17 LEU H H 17 7.822 7.540 0.282 1
1 73 . 15 1 1 A 17 17 LEU HA H 17 4.446 4.755 -0.309 1
1 83 . 15 1 1 A 17 17 LEU C C 17 175.902 175.784 0.118 1
1 84 . 15 1 1 A 17 17 LEU CA C 17 53.128 52.993 0.135 1
1 85 . 15 1 1 A 17 17 LEU CB C 17 44.656 45.246 -0.590 1
1 89 . 15 1 1 A 17 17 LEU N N 17 119.654 120.866 -1.212 1
1 90 . 15 1 1 A 18 18 CYS H H 18 8.080 8.319 -0.239 1
1 91 . 15 1 1 A 18 18 CYS HA H 18 4.248 4.102 0.146 1
1 94 . 15 1 1 A 18 18 CYS C C 18 177.466 176.804 0.662 1
1 95 . 15 1 1 A 18 18 CYS CA C 18 58.398 59.741 -1.343 1
1 96 . 15 1 1 A 18 18 CYS CB C 18 31.990 28.134 3.856 1
1 97 . 15 1 1 A 18 18 CYS N N 18 123.013 124.251 -1.238 1
1 98 . 15 1 1 A 19 19 ALA H H 19 9.211 8.279 0.932 1
1 99 . 15 1 1 A 19 19 ALA HA H 19 4.172 4.304 -0.132 1
1 103 . 15 1 1 A 19 19 ALA C C 19 177.724 177.987 -0.263 1
1 104 . 15 1 1 A 19 19 ALA CA C 19 54.327 52.462 1.865 1
1 105 . 15 1 1 A 19 19 ALA CB C 19 18.662 18.816 -0.154 1
1 106 . 15 1 1 A 19 19 ALA N N 19 132.258 129.999 2.259 1
1 107 . 15 1 1 A 20 20 LEU H H 20 8.911 7.126 1.785 1
1 108 . 15 1 1 A 20 20 LEU HA H 20 4.736 4.319 0.417 1
1 118 . 15 1 1 A 20 20 LEU C C 20 177.779 178.463 -0.684 1
1 119 . 15 1 1 A 20 20 LEU CA C 20 56.935 56.944 -0.009 1
1 120 . 15 1 1 A 20 20 LEU CB C 20 43.750 43.706 0.044 1
1 124 . 15 1 1 A 20 20 LEU N N 20 119.770 116.596 3.174 1
1 125 . 15 1 1 A 21 21 CYS H H 21 8.159 8.115 0.044 1
1 126 . 15 1 1 A 21 21 CYS HA H 21 4.962 4.598 0.364 1
1 129 . 15 1 1 A 21 21 CYS C C 21 176.947 175.760 1.187 1
1 130 . 15 1 1 A 21 21 CYS CA C 21 59.137 59.563 -0.426 1
1 131 . 15 1 1 A 21 21 CYS CB C 21 31.728 29.706 2.022 1
1 132 . 15 1 1 A 21 21 CYS N N 21 116.713 113.418 3.295 1
1 133 . 15 1 1 A 22 22 GLY H H 22 8.088 8.502 -0.414 1
1 134 . 15 1 1 A 22 22 GLY HA2 H 22 4.160 3.923 0.237 1
1 135 . 15 1 1 A 22 22 GLY HA3 H 22 3.865 3.948 -0.083 1
1 136 . 15 1 1 A 22 22 GLY C C 22 173.190 174.012 -0.822 1
1 137 . 15 1 1 A 22 22 GLY CA C 22 46.556 45.776 0.780 1
1 138 . 15 1 1 A 22 22 GLY N N 22 112.000 110.385 1.615 1
1 139 . 15 1 1 A 23 23 GLU H H 23 8.378 7.960 0.418 1
1 140 . 15 1 1 A 23 23 GLU HA H 23 4.712 4.793 -0.081 1
1 145 . 15 1 1 A 23 23 GLU C C 23 176.434 175.872 0.562 1
1 146 . 15 1 1 A 23 23 GLU CA C 23 55.014 54.615 0.399 1
1 147 . 15 1 1 A 23 23 GLU CB C 23 31.557 32.245 -0.688 1
1 149 . 15 1 1 A 23 23 GLU N N 23 118.877 119.166 -0.289 1
1 150 . 15 1 1 A 24 24 HIS H H 24 8.666 8.850 -0.184 1
1 151 . 15 1 1 A 24 24 HIS HA H 24 4.333 4.590 -0.257 1
1 156 . 15 1 1 A 24 24 HIS C C 24 175.281 174.229 1.052 1
1 157 . 15 1 1 A 24 24 HIS CA C 24 58.186 57.862 0.324 1
1 158 . 15 1 1 A 24 24 HIS CB C 24 30.099 30.782 -0.683 1
1 161 . 15 1 1 A 24 24 HIS N N 24 118.732 121.553 -2.821 1
1 162 . 15 1 1 A 25 25 LEU H H 25 7.928 8.382 -0.454 1
1 163 . 15 1 1 A 25 25 LEU HA H 25 4.174 5.273 -1.099 1
1 173 . 15 1 1 A 25 25 LEU C C 25 175.186 175.492 -0.306 1
1 174 . 15 1 1 A 25 25 LEU CA C 25 53.992 53.269 0.723 1
1 175 . 15 1 1 A 25 25 LEU CB C 25 43.742 45.800 -2.058 1
1 179 . 15 1 1 A 25 25 LEU N N 25 125.590 124.831 0.759 1
1 180 . 15 1 1 A 26 26 TYR H H 26 8.768 8.769 -0.001 1
1 181 . 15 1 1 A 26 26 TYR HA H 26 4.651 5.263 -0.612 1
1 188 . 15 1 1 A 26 26 TYR C C 26 177.267 175.996 1.271 1
1 189 . 15 1 1 A 26 26 TYR CA C 26 57.270 56.493 0.777 1
1 190 . 15 1 1 A 26 26 TYR CB C 26 38.210 41.665 -3.455 1
1 195 . 15 1 1 A 26 26 TYR N N 26 123.119 121.914 1.205 1
1 196 . 15 1 1 A 27 27 VAL H H 27 8.086 8.129 -0.043 1
1 197 . 15 1 1 A 27 27 VAL HA H 27 3.809 3.808 0.001 1
1 205 . 15 1 1 A 27 27 VAL C C 27 176.958 176.743 0.215 1
1 206 . 15 1 1 A 27 27 VAL CA C 27 64.551 64.391 0.160 1
1 207 . 15 1 1 A 27 27 VAL CB C 27 31.788 31.667 0.121 1
1 210 . 15 1 1 A 27 27 VAL N N 27 121.055 124.986 -3.931 1
1 211 . 15 1 1 A 28 28 LEU H H 28 7.665 7.666 -0.001 1
1 212 . 15 1 1 A 28 28 LEU HA H 28 4.285 4.286 -0.001 1
1 222 . 15 1 1 A 28 28 LEU C C 28 177.710 178.324 -0.614 1
1 223 . 15 1 1 A 28 28 LEU CA C 28 56.297 56.484 -0.187 1
1 224 . 15 1 1 A 28 28 LEU CB C 28 41.998 42.862 -0.864 1
1 228 . 15 1 1 A 28 28 LEU N N 28 119.062 119.535 -0.473 1
1 229 . 15 1 1 A 29 29 GLU H H 29 7.961 8.449 -0.488 1
1 230 . 15 1 1 A 29 29 GLU HA H 29 4.479 4.037 0.442 1
1 235 . 15 1 1 A 29 29 GLU C C 29 175.755 177.210 -1.455 1
1 236 . 15 1 1 A 29 29 GLU CA C 29 56.248 59.848 -3.600 1
1 237 . 15 1 1 A 29 29 GLU CB C 29 30.550 29.392 1.158 1
1 239 . 15 1 1 A 29 29 GLU N N 29 117.067 117.991 -0.924 1
1 240 . 15 1 1 A 30 30 ARG H H 30 7.724 7.721 0.003 1
1 241 . 15 1 1 A 30 30 ARG HA H 30 4.688 4.268 0.420 1
1 248 . 15 1 1 A 30 30 ARG C C 30 174.546 175.944 -1.398 1
1 249 . 15 1 1 A 30 30 ARG CA C 30 55.948 56.371 -0.423 1
1 250 . 15 1 1 A 30 30 ARG CB C 30 33.034 30.407 2.627 1
1 253 . 15 1 1 A 30 30 ARG N N 30 120.305 117.866 2.439 1
1 254 . 15 1 1 A 31 31 LEU H H 31 8.970 8.958 0.012 1
1 255 . 15 1 1 A 31 31 LEU HA H 31 4.635 4.605 0.030 1
1 265 . 15 1 1 A 31 31 LEU C C 31 174.536 175.846 -1.310 1
1 266 . 15 1 1 A 31 31 LEU CA C 31 54.168 53.742 0.426 1
1 267 . 15 1 1 A 31 31 LEU CB C 31 45.021 41.866 3.155 1
1 271 . 15 1 1 A 31 31 LEU N N 31 124.553 124.882 -0.329 1
1 272 . 15 1 1 A 32 32 CYS H H 32 8.558 8.164 0.394 1
1 273 . 15 1 1 A 32 32 CYS HA H 32 4.954 4.686 0.268 1
1 276 . 15 1 1 A 32 32 CYS C C 32 174.418 173.992 0.426 1
1 277 . 15 1 1 A 32 32 CYS CA C 32 56.874 58.361 -1.487 1
1 278 . 15 1 1 A 32 32 CYS CB C 32 28.054 26.465 1.589 1
1 279 . 15 1 1 A 32 32 CYS N N 32 124.126 124.506 -0.380 1
1 280 . 15 1 1 A 33 33 VAL H H 33 8.893 9.107 -0.214 1
1 281 . 15 1 1 A 33 33 VAL HA H 33 4.103 4.604 -0.501 1
1 289 . 15 1 1 A 33 33 VAL C C 33 175.525 176.237 -0.712 1
1 290 . 15 1 1 A 33 33 VAL CA C 33 61.551 61.380 0.171 1
1 291 . 15 1 1 A 33 33 VAL CB C 33 34.027 34.236 -0.209 1
1 294 . 15 1 1 A 33 33 VAL N N 33 129.037 125.991 3.046 1
1 295 . 15 1 1 A 34 34 ASN HA H 34 4.389 4.592 -0.203 1
1 300 . 15 1 1 A 34 34 ASN C C 34 174.946 175.624 -0.678 1
1 301 . 15 1 1 A 34 34 ASN CA C 34 53.922 54.847 -0.925 1
1 302 . 15 1 1 A 34 34 ASN CB C 34 37.332 37.392 -0.060 1
1 304 . 15 1 1 A 35 35 GLY H H 35 7.896 8.455 -0.559 1
1 305 . 15 1 1 A 35 35 GLY HA2 H 35 3.891 3.721 0.170 1
1 306 . 15 1 1 A 35 35 GLY HA3 H 35 3.180 3.857 -0.677 1
1 307 . 15 1 1 A 35 35 GLY C C 35 172.892 174.022 -1.130 1
1 308 . 15 1 1 A 35 35 GLY CA C 35 45.290 45.259 0.031 1
1 309 . 15 1 1 A 35 35 GLY N N 35 102.630 104.967 -2.337 1
1 310 . 15 1 1 A 36 36 HIS H H 36 7.694 7.702 -0.008 1
1 311 . 15 1 1 A 36 36 HIS HA H 36 4.433 4.333 0.100 1
1 315 . 15 1 1 A 36 36 HIS C C 36 172.910 174.958 -2.048 1
1 316 . 15 1 1 A 36 36 HIS CA C 36 54.433 56.553 -2.120 1
1 317 . 15 1 1 A 36 36 HIS CB C 36 32.464 30.764 1.700 1
1 319 . 15 1 1 A 36 36 HIS N N 36 119.651 118.911 0.740 1
1 320 . 15 1 1 A 37 37 PHE H H 37 8.502 8.853 -0.351 1
1 321 . 15 1 1 A 37 37 PHE HA H 37 5.314 5.704 -0.390 1
1 329 . 15 1 1 A 37 37 PHE C C 37 174.239 174.409 -0.170 1
1 330 . 15 1 1 A 37 37 PHE CA C 37 56.424 55.533 0.891 1
1 331 . 15 1 1 A 37 37 PHE CB C 37 41.572 40.973 0.599 1
1 337 . 15 1 1 A 37 37 PHE N N 37 119.583 121.428 -1.845 1
1 338 . 15 1 1 A 38 38 PHE H H 38 8.664 9.277 -0.613 1
1 339 . 15 1 1 A 38 38 PHE HA H 38 5.866 4.995 0.871 1
1 347 . 15 1 1 A 38 38 PHE C C 38 177.496 175.238 2.258 1
1 348 . 15 1 1 A 38 38 PHE CA C 38 55.296 56.493 -1.197 1
1 349 . 15 1 1 A 38 38 PHE CB C 38 44.392 43.586 0.806 1
1 355 . 15 1 1 A 38 38 PHE N N 38 116.719 120.694 -3.975 1
1 356 . 15 1 1 A 39 39 HIS H H 39 8.854 8.363 0.491 1
1 357 . 15 1 1 A 39 39 HIS HA H 39 4.675 4.707 -0.032 1
1 362 . 15 1 1 A 39 39 HIS C C 39 178.476 176.768 1.708 1
1 363 . 15 1 1 A 39 39 HIS CA C 39 59.297 56.795 2.502 1
1 364 . 15 1 1 A 39 39 HIS CB C 39 30.980 30.429 0.551 1
1 367 . 15 1 1 A 39 39 HIS N N 39 120.015 119.623 0.392 1
1 368 . 15 1 1 A 40 40 ARG H H 40 9.256 9.181 0.075 1
1 369 . 15 1 1 A 40 40 ARG HA H 40 3.965 3.935 0.030 1
1 376 . 15 1 1 A 40 40 ARG C C 40 179.459 178.195 1.264 1
1 377 . 15 1 1 A 40 40 ARG CA C 40 60.547 59.638 0.909 1
1 378 . 15 1 1 A 40 40 ARG CB C 40 29.598 29.763 -0.165 1
1 381 . 15 1 1 A 40 40 ARG N N 40 126.206 123.513 2.693 1
1 382 . 15 1 1 A 41 41 SER H H 41 8.643 7.863 0.780 1
1 383 . 15 1 1 A 41 41 SER HA H 41 4.221 4.271 -0.050 1
1 386 . 15 1 1 A 41 41 SER C C 41 175.499 177.069 -1.570 1
1 387 . 15 1 1 A 41 41 SER CA C 41 60.160 61.172 -1.012 1
1 388 . 15 1 1 A 41 41 SER CB C 41 62.847 62.862 -0.015 1
1 389 . 15 1 1 A 41 41 SER N N 41 109.970 115.236 -5.266 1
1 390 . 15 1 1 A 42 42 CYS H H 42 7.427 8.416 -0.989 1
1 391 . 15 1 1 A 42 42 CYS HA H 42 4.306 4.092 0.214 1
1 394 . 15 1 1 A 42 42 CYS C C 42 174.200 176.070 -1.870 1
1 395 . 15 1 1 A 42 42 CYS CA C 42 61.569 63.645 -2.076 1
1 396 . 15 1 1 A 42 42 CYS CB C 42 30.945 27.724 3.221 1
1 397 . 15 1 1 A 42 42 CYS N N 42 118.020 119.488 -1.468 1
1 398 . 15 1 1 A 43 43 PHE H H 43 7.257 8.018 -0.761 1
1 399 . 15 1 1 A 43 43 PHE HA H 43 4.122 4.367 -0.245 1
1 407 . 15 1 1 A 43 43 PHE C C 43 172.037 174.397 -2.360 1
1 408 . 15 1 1 A 43 43 PHE CA C 43 57.112 57.253 -0.141 1
1 409 . 15 1 1 A 43 43 PHE CB C 43 37.448 38.298 -0.850 1
1 415 . 15 1 1 A 43 43 PHE N N 43 122.965 121.454 1.511 1
1 416 . 15 1 1 A 44 44 ARG H H 44 7.110 8.191 -1.081 1
1 417 . 15 1 1 A 44 44 ARG HA H 44 4.821 5.164 -0.343 1
1 424 . 15 1 1 A 44 44 ARG C C 44 174.097 175.236 -1.139 1
1 425 . 15 1 1 A 44 44 ARG CA C 44 53.323 53.835 -0.512 1
1 426 . 15 1 1 A 44 44 ARG CB C 44 34.911 33.800 1.111 1
1 429 . 15 1 1 A 44 44 ARG N N 44 123.199 126.411 -3.212 1
1 430 . 15 1 1 A 45 45 CYS H H 45 8.580 8.859 -0.279 1
1 431 . 15 1 1 A 45 45 CYS HA H 45 4.055 4.646 -0.591 1
1 434 . 15 1 1 A 45 45 CYS C C 45 177.493 174.986 2.507 1
1 435 . 15 1 1 A 45 45 CYS CA C 45 59.878 59.788 0.090 1
1 436 . 15 1 1 A 45 45 CYS CB C 45 32.052 29.008 3.044 1
1 437 . 15 1 1 A 45 45 CYS N N 45 121.527 120.936 0.591 1
1 438 . 15 1 1 A 46 46 HIS H H 46 9.187 8.678 0.509 1
1 439 . 15 1 1 A 46 46 HIS HA H 46 4.184 4.606 -0.422 1
1 443 . 15 1 1 A 46 46 HIS C C 46 175.000 176.188 -1.188 1
1 444 . 15 1 1 A 46 46 HIS CA C 46 59.137 57.227 1.910 1
1 445 . 15 1 1 A 46 46 HIS CB C 46 29.560 30.495 -0.935 1
1 447 . 15 1 1 A 46 46 HIS N N 46 130.205 125.222 4.983 1
1 448 . 15 1 1 A 47 47 THR H H 47 8.848 7.642 1.206 1
1 449 . 15 1 1 A 47 47 THR HA H 47 4.134 4.408 -0.274 1
1 454 . 15 1 1 A 47 47 THR C C 47 174.926 175.968 -1.042 1
1 455 . 15 1 1 A 47 47 THR CA C 47 65.535 63.546 1.989 1
1 456 . 15 1 1 A 47 47 THR CB C 47 70.010 70.734 -0.724 1
1 458 . 15 1 1 A 47 47 THR N N 47 116.066 111.795 4.271 1
1 459 . 15 1 1 A 48 48 CYS H H 48 8.181 8.201 -0.020 1
1 460 . 15 1 1 A 48 48 CYS HA H 48 4.821 4.609 0.212 1
1 463 . 15 1 1 A 48 48 CYS C C 48 176.004 174.508 1.496 1
1 464 . 15 1 1 A 48 48 CYS CA C 48 59.050 58.173 0.877 1
1 465 . 15 1 1 A 48 48 CYS CB C 48 32.944 29.443 3.501 1
1 466 . 15 1 1 A 48 48 CYS N N 48 119.626 116.014 3.612 1
1 467 . 15 1 1 A 49 49 GLU H H 49 8.081 8.063 0.018 1
1 468 . 15 1 1 A 49 49 GLU HA H 49 3.865 4.231 -0.366 1
1 473 . 15 1 1 A 49 49 GLU C C 49 174.137 174.772 -0.635 1
1 474 . 15 1 1 A 49 49 GLU CA C 49 58.732 57.472 1.260 1
1 475 . 15 1 1 A 49 49 GLU CB C 49 27.345 27.167 0.178 1
1 477 . 15 1 1 A 49 49 GLU N N 49 116.307 116.913 -0.606 1
1 478 . 15 1 1 A 50 50 ALA H H 50 8.498 7.877 0.621 1
1 479 . 15 1 1 A 50 50 ALA HA H 50 4.388 4.590 -0.202 1
1 483 . 15 1 1 A 50 50 ALA C C 50 178.362 177.113 1.249 1
1 484 . 15 1 1 A 50 50 ALA CA C 50 53.111 51.161 1.950 1
1 485 . 15 1 1 A 50 50 ALA CB C 50 20.334 21.054 -0.720 1
1 486 . 15 1 1 A 50 50 ALA N N 50 124.211 120.427 3.784 1
1 487 . 15 1 1 A 51 51 THR H H 51 8.470 8.275 0.195 1
1 488 . 15 1 1 A 51 51 THR HA H 51 3.811 3.927 -0.116 1
1 493 . 15 1 1 A 51 51 THR C C 51 173.931 173.709 0.222 1
1 494 . 15 1 1 A 51 51 THR CA C 51 64.345 63.417 0.928 1
1 495 . 15 1 1 A 51 51 THR CB C 51 69.428 67.820 1.608 1
1 497 . 15 1 1 A 51 51 THR N N 51 117.025 116.982 0.043 1
1 498 . 15 1 1 A 52 52 LEU H H 52 7.421 8.181 -0.760 1
1 499 . 15 1 1 A 52 52 LEU HA H 52 4.439 4.421 0.018 1
1 509 . 15 1 1 A 52 52 LEU C C 52 175.390 175.810 -0.420 1
1 510 . 15 1 1 A 52 52 LEU CA C 52 53.728 54.434 -0.706 1
1 511 . 15 1 1 A 52 52 LEU CB C 52 42.020 40.730 1.290 1
1 515 . 15 1 1 A 52 52 LEU N N 52 125.339 128.122 -2.783 1
1 516 . 15 1 1 A 53 53 TRP H H 53 8.089 8.392 -0.303 1
1 517 . 15 1 1 A 53 53 TRP HA H 53 5.148 4.656 0.492 1
1 526 . 15 1 1 A 53 53 TRP C C 53 173.534 176.638 -3.104 1
1 527 . 15 1 1 A 53 53 TRP CA C 53 54.345 56.493 -2.148 1
1 528 . 15 1 1 A 53 53 TRP CB C 53 30.134 29.250 0.884 1
1 534 . 15 1 1 A 53 53 TRP N N 53 120.731 126.550 -5.819 1
1 536 . 15 1 1 A 54 54 PRO HA H 54 4.553 4.529 0.024 1
1 543 . 15 1 1 A 54 54 PRO CA C 54 64.882 64.004 0.878 1
1 544 . 15 1 1 A 54 54 PRO CB C 54 31.969 31.491 0.478 1
1 547 . 15 1 1 A 55 55 GLY HA2 H 55 4.330 4.138 0.192 1
1 548 . 15 1 1 A 55 55 GLY HA3 H 55 3.795 4.154 -0.359 1
1 549 . 15 1 1 A 55 55 GLY C C 55 175.195 173.912 1.283 1
1 550 . 15 1 1 A 55 55 GLY CA C 55 45.586 45.774 -0.188 1
1 551 . 15 1 1 A 56 56 GLY H H 56 8.653 7.390 1.263 1
1 552 . 15 1 1 A 56 56 GLY HA2 H 56 4.567 4.239 0.328 1
1 553 . 15 1 1 A 56 56 GLY HA3 H 56 3.380 4.308 -0.928 1
1 554 . 15 1 1 A 56 56 GLY C C 56 174.377 172.758 1.619 1
1 555 . 15 1 1 A 56 56 GLY CA C 56 45.237 45.834 -0.597 1
1 556 . 15 1 1 A 56 56 GLY N N 56 107.803 107.290 0.513 1
1 557 . 15 1 1 A 57 57 TYR H H 57 7.269 7.979 -0.710 1
1 558 . 15 1 1 A 57 57 TYR HA H 57 5.600 5.302 0.298 1
1 565 . 15 1 1 A 57 57 TYR C C 57 173.258 173.515 -0.257 1
1 566 . 15 1 1 A 57 57 TYR CA C 57 55.666 56.413 -0.747 1
1 567 . 15 1 1 A 57 57 TYR CB C 57 44.451 40.929 3.522 1
1 572 . 15 1 1 A 57 57 TYR N N 57 116.315 115.967 0.348 1
1 573 . 15 1 1 A 58 58 GLU H H 58 8.948 9.092 -0.144 1
1 574 . 15 1 1 A 58 58 GLU HA H 58 4.546 4.768 -0.222 1
1 579 . 15 1 1 A 58 58 GLU C C 58 174.242 174.507 -0.265 1
1 580 . 15 1 1 A 58 58 GLU CA C 58 55.790 55.225 0.565 1
1 581 . 15 1 1 A 58 58 GLU CB C 58 35.177 34.662 0.515 1
1 583 . 15 1 1 A 58 58 GLU N N 58 117.931 119.317 -1.386 1
1 584 . 15 1 1 A 59 59 GLN H H 59 9.205 8.854 0.351 1
1 585 . 15 1 1 A 59 59 GLN HA H 59 4.760 4.971 -0.211 1
1 592 . 15 1 1 A 59 59 GLN C C 59 175.807 175.156 0.651 1
1 593 . 15 1 1 A 59 59 GLN CA C 59 53.904 54.010 -0.106 1
1 594 . 15 1 1 A 59 59 GLN CB C 59 29.530 29.678 -0.148 1
1 596 . 15 1 1 A 59 59 GLN N N 59 123.928 123.201 0.727 1
1 598 . 15 1 1 A 60 60 HIS H H 60 9.330 9.022 0.308 1
1 599 . 15 1 1 A 60 60 HIS HA H 60 4.945 4.581 0.364 1
1 604 . 15 1 1 A 60 60 HIS C C 60 175.428 175.589 -0.161 1
1 605 . 15 1 1 A 60 60 HIS CA C 60 54.556 55.144 -0.588 1
1 606 . 15 1 1 A 60 60 HIS CB C 60 32.329 31.312 1.017 1
1 609 . 15 1 1 A 60 60 HIS N N 60 131.634 127.252 4.382 1
1 610 . 15 1 1 A 61 61 PRO HA H 61 4.269 4.141 0.128 1
1 617 . 15 1 1 A 61 61 PRO CA C 61 64.043 64.912 -0.869 1
1 618 . 15 1 1 A 61 61 PRO CB C 61 31.752 31.809 -0.057 1
1 621 . 15 1 1 A 62 62 GLY H H 62 7.210 8.224 -1.014 1
1 622 . 15 1 1 A 62 62 GLY HA2 H 62 3.928 3.814 0.114 1
1 623 . 15 1 1 A 62 62 GLY HA3 H 62 3.666 3.969 -0.303 1
1 624 . 15 1 1 A 62 62 GLY CA C 62 46.610 47.214 -0.604 1
1 625 . 15 1 1 A 62 62 GLY N N 62 105.065 106.174 -1.109 1
1 626 . 15 1 1 A 63 63 ASP H H 63 8.237 8.058 0.179 1
1 627 . 15 1 1 A 63 63 ASP HA H 63 4.648 4.766 -0.118 1
1 630 . 15 1 1 A 63 63 ASP C C 63 177.303 176.300 1.003 1
1 631 . 15 1 1 A 63 63 ASP CA C 63 53.182 54.914 -1.732 1
1 632 . 15 1 1 A 63 63 ASP CB C 63 42.216 42.121 0.095 1
1 633 . 15 1 1 A 63 63 ASP N N 63 118.685 119.359 -0.674 1
1 634 . 15 1 1 A 64 64 GLY H H 64 8.315 8.134 0.181 1
1 635 . 15 1 1 A 64 64 GLY HA2 H 64 3.900 3.930 -0.030 1
1 636 . 15 1 1 A 64 64 GLY HA3 H 64 3.635 3.950 -0.315 1
1 637 . 15 1 1 A 64 64 GLY C C 64 174.457 173.559 0.898 1
1 638 . 15 1 1 A 64 64 GLY CA C 64 46.004 45.394 0.610 1
1 639 . 15 1 1 A 64 64 GLY N N 64 109.742 106.383 3.359 1
1 640 . 15 1 1 A 65 65 HIS H H 65 9.101 8.025 1.076 1
1 641 . 15 1 1 A 65 65 HIS HA H 65 4.675 4.964 -0.289 1
1 645 . 15 1 1 A 65 65 HIS C C 65 173.603 173.469 0.134 1
1 646 . 15 1 1 A 65 65 HIS CA C 65 55.208 54.421 0.787 1
1 647 . 15 1 1 A 65 65 HIS CB C 65 30.321 33.864 -3.543 1
1 649 . 15 1 1 A 65 65 HIS N N 65 121.111 116.695 4.416 1
1 650 . 15 1 1 A 66 66 PHE H H 66 8.841 8.563 0.278 1
1 651 . 15 1 1 A 66 66 PHE HA H 66 5.005 5.399 -0.394 1
1 659 . 15 1 1 A 66 66 PHE C C 66 174.272 174.349 -0.077 1
1 660 . 15 1 1 A 66 66 PHE CA C 66 57.904 56.147 1.757 1
1 661 . 15 1 1 A 66 66 PHE CB C 66 40.990 41.346 -0.356 1
1 667 . 15 1 1 A 66 66 PHE N N 66 118.465 117.634 0.831 1
1 668 . 15 1 1 A 67 67 TYR H H 67 8.714 9.352 -0.638 1
1 669 . 15 1 1 A 67 67 TYR HA H 67 5.676 5.277 0.399 1
1 676 . 15 1 1 A 67 67 TYR C C 67 176.345 175.870 0.475 1
1 677 . 15 1 1 A 67 67 TYR CA C 67 56.829 56.601 0.228 1
1 678 . 15 1 1 A 67 67 TYR CB C 67 43.668 43.333 0.335 1
1 683 . 15 1 1 A 67 67 TYR N N 67 117.828 121.438 -3.610 1
1 684 . 15 1 1 A 68 68 CYS H H 68 9.524 8.771 0.753 1
1 685 . 15 1 1 A 68 68 CYS HA H 68 5.152 4.984 0.168 1
1 688 . 15 1 1 A 68 68 CYS C C 68 176.563 176.421 0.142 1
1 689 . 15 1 1 A 68 68 CYS CA C 68 58.468 58.131 0.337 1
1 690 . 15 1 1 A 68 68 CYS CB C 68 29.373 29.504 -0.131 1
1 691 . 15 1 1 A 68 68 CYS N N 68 120.631 120.484 0.147 1
1 692 . 15 1 1 A 69 69 LEU H H 69 7.630 8.774 -1.144 1
1 693 . 15 1 1 A 69 69 LEU HA H 69 3.952 4.428 -0.476 1
1 703 . 15 1 1 A 69 69 LEU C C 69 179.373 176.802 2.571 1
1 704 . 15 1 1 A 69 69 LEU CA C 69 58.080 55.283 2.797 1
1 705 . 15 1 1 A 69 69 LEU CB C 69 40.125 41.331 -1.206 1
1 709 . 15 1 1 A 69 69 LEU N N 69 117.279 121.695 -4.416 1
1 710 . 15 1 1 A 70 70 GLN H H 70 8.159 8.277 -0.118 1
1 711 . 15 1 1 A 70 70 GLN HA H 70 4.106 4.647 -0.541 1
1 718 . 15 1 1 A 70 70 GLN C C 70 177.094 177.010 0.084 1
1 719 . 15 1 1 A 70 70 GLN CA C 70 57.781 55.981 1.800 1
1 720 . 15 1 1 A 70 70 GLN CB C 70 28.537 30.789 -2.252 1
1 722 . 15 1 1 A 70 70 GLN N N 70 115.749 119.236 -3.487 1
1 724 . 15 1 1 A 71 71 HIS H H 71 7.651 7.677 -0.026 1
1 725 . 15 1 1 A 71 71 HIS HA H 71 4.917 4.768 0.149 1
1 730 . 15 1 1 A 71 71 HIS C C 71 173.431 175.073 -1.642 1
1 731 . 15 1 1 A 71 71 HIS CA C 71 56.142 56.254 -0.112 1
1 732 . 15 1 1 A 71 71 HIS CB C 71 33.010 31.733 1.277 1
1 735 . 15 1 1 A 71 71 HIS N N 71 116.846 115.683 1.163 1
1 736 . 15 1 1 A 72 72 LEU H H 72 7.154 7.519 -0.365 1
1 737 . 15 1 1 A 72 72 LEU HA H 72 3.772 4.194 -0.422 1
1 747 . 15 1 1 A 72 72 LEU C C 72 174.748 175.066 -0.318 1
1 748 . 15 1 1 A 72 72 LEU CA C 72 53.499 53.307 0.192 1
1 749 . 15 1 1 A 72 72 LEU CB C 72 42.729 43.027 -0.298 1
1 753 . 15 1 1 A 72 72 LEU N N 72 124.029 121.915 2.114 1
1 754 . 15 1 1 A 73 73 PRO HA H 73 4.145 4.445 -0.300 1
1 761 . 15 1 1 A 73 73 PRO C C 73 175.785 175.473 0.312 1
1 762 . 15 1 1 A 73 73 PRO CA C 73 63.050 62.134 0.916 1
1 763 . 15 1 1 A 73 73 PRO CB C 73 32.055 32.706 -0.651 1
1 766 . 15 1 1 A 74 74 GLN H H 74 8.359 8.544 -0.185 1
1 767 . 15 1 1 A 74 74 GLN HA H 74 4.386 5.272 -0.886 1
1 774 . 15 1 1 A 74 74 GLN C C 74 176.731 174.668 2.063 1
1 775 . 15 1 1 A 74 74 GLN CA C 74 55.526 54.572 0.954 1
1 776 . 15 1 1 A 74 74 GLN CB C 74 29.817 32.009 -2.192 1
1 778 . 15 1 1 A 74 74 GLN N N 74 120.467 118.294 2.173 1
1 780 . 15 1 1 A 75 75 THR H H 75 8.368 8.885 -0.517 1
1 781 . 15 1 1 A 75 75 THR HA H 75 4.390 4.438 -0.048 1
1 786 . 15 1 1 A 75 75 THR C C 75 174.257 173.320 0.937 1
1 787 . 15 1 1 A 75 75 THR CA C 75 61.993 63.255 -1.262 1
1 788 . 15 1 1 A 75 75 THR CB C 75 69.991 69.691 0.300 1
1 790 . 15 1 1 A 75 75 THR N N 75 116.318 121.636 -5.318 1
1 791 . 15 1 1 A 76 76 ASP H H 76 8.528 8.288 0.240 1
1 792 . 15 1 1 A 76 76 ASP HA H 76 4.700 5.092 -0.392 1
1 795 . 15 1 1 A 76 76 ASP C C 76 176.200 176.323 -0.123 1
1 796 . 15 1 1 A 76 76 ASP CA C 76 54.363 52.603 1.760 1
1 797 . 15 1 1 A 76 76 ASP CB C 76 41.362 42.552 -1.190 1
1 798 . 15 1 1 A 76 76 ASP N N 76 123.204 125.438 -2.234 1
1 799 . 15 1 1 A 77 77 SER H H 77 8.346 8.863 -0.517 1
1 800 . 15 1 1 A 77 77 SER HA H 77 4.497 4.249 0.248 1
1 803 . 15 1 1 A 77 77 SER C C 77 174.724 175.057 -0.333 1
1 804 . 15 1 1 A 77 77 SER CA C 77 58.451 60.908 -2.457 1
1 805 . 15 1 1 A 77 77 SER CB C 77 64.101 63.671 0.430 1
1 806 . 15 1 1 A 77 77 SER N N 77 116.515 117.311 -0.796 1
1 807 . 15 1 1 A 78 78 GLY H H 78 8.330 7.691 0.639 1
1 808 . 15 1 1 A 78 78 GLY HA2 H 78 4.135 4.054 0.081 1
1 809 . 15 1 1 A 78 78 GLY HA3 H 78 4.135 4.054 0.081 1
1 810 . 15 1 1 A 78 78 GLY C C 78 171.883 173.156 -1.273 1
1 811 . 15 1 1 A 78 78 GLY CA C 78 44.745 44.312 0.433 1
1 812 . 15 1 1 A 78 78 GLY N N 78 110.837 106.093 4.744 1
1 813 . 15 1 1 A 79 79 PRO HA H 79 4.501 4.588 -0.087 1
1 820 . 15 1 1 A 79 79 PRO C C 79 177.463 177.002 0.461 1
1 821 . 15 1 1 A 79 79 PRO CA C 79 63.332 62.684 0.648 1
1 822 . 15 1 1 A 79 79 PRO CB C 79 32.229 32.533 -0.304 1
1 825 . 15 1 1 A 80 80 SER H H 80 8.531 8.511 0.020 1
1 826 . 15 1 1 A 80 80 SER HA H 80 4.521 4.470 0.051 1
1 829 . 15 1 1 A 80 80 SER C C 80 174.760 174.132 0.628 1
1 830 . 15 1 1 A 80 80 SER CA C 80 58.398 57.834 0.564 1
1 831 . 15 1 1 A 80 80 SER CB C 80 63.978 63.230 0.748 1
1 832 . 15 1 1 A 80 80 SER N N 80 116.479 115.380 1.099 1
1 833 . 15 1 1 A 81 81 SER H H 81 8.358 8.727 -0.369 1
1 834 . 15 1 1 A 81 81 SER HA H 81 4.530 4.747 -0.217 1
1 837 . 15 1 1 A 81 81 SER C C 81 173.982 174.513 -0.531 1
1 838 . 15 1 1 A 81 81 SER CA C 81 58.416 56.926 1.490 1
1 839 . 15 1 1 A 81 81 SER CB C 81 64.082 64.550 -0.468 1
1 840 . 15 1 1 A 81 81 SER N N 81 117.964 120.256 -2.292 1
1 1 . 16 1 1 A 9 9 HIS HA H 9 4.627 4.748 -0.121 1
1 5 . 16 1 1 A 9 9 HIS C C 9 175.239 174.755 0.484 1
1 6 . 16 1 1 A 9 9 HIS CA C 9 56.347 56.481 -0.134 1
1 7 . 16 1 1 A 9 9 HIS CB C 9 30.681 30.537 0.144 1
1 9 . 16 1 1 A 10 10 GLN H H 10 8.313 8.808 -0.495 1
1 10 . 16 1 1 A 10 10 GLN HA H 10 4.323 4.894 -0.571 1
1 17 . 16 1 1 A 10 10 GLN C C 10 175.703 174.691 1.012 1
1 18 . 16 1 1 A 10 10 GLN CA C 10 55.875 53.905 1.970 1
1 19 . 16 1 1 A 10 10 GLN CB C 10 29.726 32.558 -2.832 1
1 21 . 16 1 1 A 10 10 GLN N N 10 122.031 119.948 2.083 1
1 23 . 16 1 1 A 11 11 GLU H H 11 8.546 8.558 -0.012 1
1 24 . 16 1 1 A 11 11 GLU HA H 11 4.275 4.719 -0.444 1
1 29 . 16 1 1 A 11 11 GLU C C 11 176.303 176.234 0.069 1
1 30 . 16 1 1 A 11 11 GLU CA C 11 56.472 55.205 1.267 1
1 31 . 16 1 1 A 11 11 GLU CB C 11 30.303 30.768 -0.465 1
1 33 . 16 1 1 A 11 11 GLU N N 11 122.648 121.956 0.692 1
1 34 . 16 1 1 A 12 12 ALA H H 12 8.403 8.422 -0.019 1
1 35 . 16 1 1 A 12 12 ALA HA H 12 4.288 5.337 -1.049 1
1 39 . 16 1 1 A 12 12 ALA C C 12 178.231 176.835 1.396 1
1 40 . 16 1 1 A 12 12 ALA CA C 12 52.759 50.467 2.292 1
1 41 . 16 1 1 A 12 12 ALA CB C 12 19.237 22.657 -3.420 1
1 42 . 16 1 1 A 12 12 ALA N N 12 125.516 122.774 2.742 1
1 43 . 16 1 1 A 13 13 GLY H H 13 8.490 8.354 0.136 1
1 44 . 16 1 1 A 13 13 GLY HA2 H 13 3.994 4.165 -0.171 1
1 45 . 16 1 1 A 13 13 GLY HA3 H 13 3.890 4.167 -0.277 1
1 46 . 16 1 1 A 13 13 GLY C C 13 174.176 172.336 1.840 1
1 47 . 16 1 1 A 13 13 GLY CA C 13 45.094 45.772 -0.678 1
1 48 . 16 1 1 A 13 13 GLY N N 13 108.839 106.013 2.826 1
1 49 . 16 1 1 A 14 14 ALA H H 14 8.172 8.370 -0.198 1
1 50 . 16 1 1 A 14 14 ALA HA H 14 4.246 4.302 -0.056 1
1 54 . 16 1 1 A 14 14 ALA C C 14 178.304 178.504 -0.200 1
1 55 . 16 1 1 A 14 14 ALA CA C 14 52.988 52.052 0.936 1
1 56 . 16 1 1 A 14 14 ALA CB C 14 19.228 19.766 -0.538 1
1 57 . 16 1 1 A 14 14 ALA N N 14 123.459 123.278 0.181 1
1 58 . 16 1 1 A 15 15 GLY H H 15 8.329 8.376 -0.047 1
1 59 . 16 1 1 A 15 15 GLY HA2 H 15 3.578 3.787 -0.209 1
1 60 . 16 1 1 A 15 15 GLY HA3 H 15 3.578 3.801 -0.223 1
1 61 . 16 1 1 A 15 15 GLY C C 15 173.577 174.237 -0.660 1
1 62 . 16 1 1 A 15 15 GLY CA C 15 45.128 46.504 -1.376 1
1 63 . 16 1 1 A 15 15 GLY N N 15 107.276 108.544 -1.268 1
1 64 . 16 1 1 A 16 16 ASP H H 16 7.898 7.616 0.282 1
1 65 . 16 1 1 A 16 16 ASP HA H 16 4.547 4.565 -0.018 1
1 68 . 16 1 1 A 16 16 ASP C C 16 174.898 174.115 0.783 1
1 69 . 16 1 1 A 16 16 ASP CA C 16 54.344 53.111 1.233 1
1 70 . 16 1 1 A 16 16 ASP CB C 16 41.534 40.868 0.666 1
1 71 . 16 1 1 A 16 16 ASP N N 16 118.642 119.322 -0.680 1
1 72 . 16 1 1 A 17 17 LEU H H 17 7.822 7.339 0.483 1
1 73 . 16 1 1 A 17 17 LEU HA H 17 4.446 4.656 -0.210 1
1 83 . 16 1 1 A 17 17 LEU C C 17 175.902 175.693 0.209 1
1 84 . 16 1 1 A 17 17 LEU CA C 17 53.128 52.941 0.187 1
1 85 . 16 1 1 A 17 17 LEU CB C 17 44.656 45.205 -0.549 1
1 89 . 16 1 1 A 17 17 LEU N N 17 119.654 120.683 -1.029 1
1 90 . 16 1 1 A 18 18 CYS H H 18 8.080 8.393 -0.313 1
1 91 . 16 1 1 A 18 18 CYS HA H 18 4.248 3.941 0.307 1
1 94 . 16 1 1 A 18 18 CYS C C 18 177.466 175.929 1.537 1
1 95 . 16 1 1 A 18 18 CYS CA C 18 58.398 59.400 -1.002 1
1 96 . 16 1 1 A 18 18 CYS CB C 18 31.990 28.394 3.596 1
1 97 . 16 1 1 A 18 18 CYS N N 18 123.013 124.193 -1.180 1
1 98 . 16 1 1 A 19 19 ALA H H 19 9.211 8.090 1.121 1
1 99 . 16 1 1 A 19 19 ALA HA H 19 4.172 3.886 0.286 1
1 103 . 16 1 1 A 19 19 ALA C C 19 177.724 179.725 -2.001 1
1 104 . 16 1 1 A 19 19 ALA CA C 19 54.327 54.651 -0.324 1
1 105 . 16 1 1 A 19 19 ALA CB C 19 18.662 18.287 0.375 1
1 106 . 16 1 1 A 19 19 ALA N N 19 132.258 128.773 3.485 1
1 107 . 16 1 1 A 20 20 LEU H H 20 8.911 7.806 1.105 1
1 108 . 16 1 1 A 20 20 LEU HA H 20 4.736 4.020 0.716 1
1 118 . 16 1 1 A 20 20 LEU C C 20 177.779 178.723 -0.944 1
1 119 . 16 1 1 A 20 20 LEU CA C 20 56.935 58.114 -1.179 1
1 120 . 16 1 1 A 20 20 LEU CB C 20 43.750 41.931 1.819 1
1 124 . 16 1 1 A 20 20 LEU N N 20 119.770 118.721 1.049 1
1 125 . 16 1 1 A 21 21 CYS H H 21 8.159 7.370 0.789 1
1 126 . 16 1 1 A 21 21 CYS HA H 21 4.962 4.595 0.367 1
1 129 . 16 1 1 A 21 21 CYS C C 21 176.947 175.826 1.121 1
1 130 . 16 1 1 A 21 21 CYS CA C 21 59.137 59.638 -0.501 1
1 131 . 16 1 1 A 21 21 CYS CB C 21 31.728 29.454 2.274 1
1 132 . 16 1 1 A 21 21 CYS N N 21 116.713 113.069 3.644 1
1 133 . 16 1 1 A 22 22 GLY H H 22 8.088 7.900 0.188 1
1 134 . 16 1 1 A 22 22 GLY HA2 H 22 4.160 3.893 0.267 1
1 135 . 16 1 1 A 22 22 GLY HA3 H 22 3.865 3.952 -0.087 1
1 136 . 16 1 1 A 22 22 GLY C C 22 173.190 175.048 -1.858 1
1 137 . 16 1 1 A 22 22 GLY CA C 22 46.556 46.384 0.172 1
1 138 . 16 1 1 A 22 22 GLY N N 22 112.000 109.692 2.308 1
1 139 . 16 1 1 A 23 23 GLU H H 23 8.378 8.552 -0.174 1
1 140 . 16 1 1 A 23 23 GLU HA H 23 4.712 4.469 0.243 1
1 145 . 16 1 1 A 23 23 GLU C C 23 176.434 176.618 -0.184 1
1 146 . 16 1 1 A 23 23 GLU CA C 23 55.014 58.156 -3.142 1
1 147 . 16 1 1 A 23 23 GLU CB C 23 31.557 30.642 0.915 1
1 149 . 16 1 1 A 23 23 GLU N N 23 118.877 117.637 1.240 1
1 150 . 16 1 1 A 24 24 HIS H H 24 8.666 7.877 0.789 1
1 151 . 16 1 1 A 24 24 HIS HA H 24 4.333 4.849 -0.516 1
1 156 . 16 1 1 A 24 24 HIS C C 24 175.281 172.967 2.314 1
1 157 . 16 1 1 A 24 24 HIS CA C 24 58.186 56.438 1.748 1
1 158 . 16 1 1 A 24 24 HIS CB C 24 30.099 32.663 -2.564 1
1 161 . 16 1 1 A 24 24 HIS N N 24 118.732 115.356 3.376 1
1 162 . 16 1 1 A 25 25 LEU H H 25 7.928 8.459 -0.531 1
1 163 . 16 1 1 A 25 25 LEU HA H 25 4.174 5.142 -0.968 1
1 173 . 16 1 1 A 25 25 LEU C C 25 175.186 175.214 -0.028 1
1 174 . 16 1 1 A 25 25 LEU CA C 25 53.992 53.973 0.019 1
1 175 . 16 1 1 A 25 25 LEU CB C 25 43.742 44.272 -0.530 1
1 179 . 16 1 1 A 25 25 LEU N N 25 125.590 127.938 -2.348 1
1 180 . 16 1 1 A 26 26 TYR H H 26 8.768 8.793 -0.025 1
1 181 . 16 1 1 A 26 26 TYR HA H 26 4.651 5.071 -0.420 1
1 188 . 16 1 1 A 26 26 TYR C C 26 177.267 177.509 -0.242 1
1 189 . 16 1 1 A 26 26 TYR CA C 26 57.270 56.005 1.265 1
1 190 . 16 1 1 A 26 26 TYR CB C 26 38.210 41.058 -2.848 1
1 195 . 16 1 1 A 26 26 TYR N N 26 123.119 123.437 -0.318 1
1 196 . 16 1 1 A 27 27 VAL H H 27 8.086 8.089 -0.003 1
1 197 . 16 1 1 A 27 27 VAL HA H 27 3.809 3.656 0.153 1
1 205 . 16 1 1 A 27 27 VAL C C 27 176.958 176.567 0.391 1
1 206 . 16 1 1 A 27 27 VAL CA C 27 64.551 64.799 -0.248 1
1 207 . 16 1 1 A 27 27 VAL CB C 27 31.788 31.068 0.720 1
1 210 . 16 1 1 A 27 27 VAL N N 27 121.055 125.248 -4.193 1
1 211 . 16 1 1 A 28 28 LEU H H 28 7.665 7.479 0.186 1
1 212 . 16 1 1 A 28 28 LEU HA H 28 4.285 4.359 -0.074 1
1 222 . 16 1 1 A 28 28 LEU C C 28 177.710 178.210 -0.500 1
1 223 . 16 1 1 A 28 28 LEU CA C 28 56.297 56.608 -0.311 1
1 224 . 16 1 1 A 28 28 LEU CB C 28 41.998 42.523 -0.525 1
1 228 . 16 1 1 A 28 28 LEU N N 28 119.062 122.189 -3.127 1
1 229 . 16 1 1 A 29 29 GLU H H 29 7.961 8.940 -0.979 1
1 230 . 16 1 1 A 29 29 GLU HA H 29 4.479 4.098 0.381 1
1 235 . 16 1 1 A 29 29 GLU C C 29 175.755 177.281 -1.526 1
1 236 . 16 1 1 A 29 29 GLU CA C 29 56.248 59.715 -3.467 1
1 237 . 16 1 1 A 29 29 GLU CB C 29 30.550 29.512 1.038 1
1 239 . 16 1 1 A 29 29 GLU N N 29 117.067 117.851 -0.784 1
1 240 . 16 1 1 A 30 30 ARG H H 30 7.724 7.970 -0.246 1
1 241 . 16 1 1 A 30 30 ARG HA H 30 4.688 4.492 0.196 1
1 248 . 16 1 1 A 30 30 ARG C C 30 174.546 175.770 -1.224 1
1 249 . 16 1 1 A 30 30 ARG CA C 30 55.948 56.447 -0.499 1
1 250 . 16 1 1 A 30 30 ARG CB C 30 33.034 30.579 2.455 1
1 253 . 16 1 1 A 30 30 ARG N N 30 120.305 118.062 2.243 1
1 254 . 16 1 1 A 31 31 LEU H H 31 8.970 8.959 0.011 1
1 255 . 16 1 1 A 31 31 LEU HA H 31 4.635 4.720 -0.085 1
1 265 . 16 1 1 A 31 31 LEU C C 31 174.536 175.145 -0.609 1
1 266 . 16 1 1 A 31 31 LEU CA C 31 54.168 53.677 0.491 1
1 267 . 16 1 1 A 31 31 LEU CB C 31 45.021 42.618 2.403 1
1 271 . 16 1 1 A 31 31 LEU N N 31 124.553 125.241 -0.688 1
1 272 . 16 1 1 A 32 32 CYS H H 32 8.558 8.772 -0.214 1
1 273 . 16 1 1 A 32 32 CYS HA H 32 4.954 3.657 1.297 1
1 276 . 16 1 1 A 32 32 CYS C C 32 174.418 173.780 0.638 1
1 277 . 16 1 1 A 32 32 CYS CA C 32 56.874 58.903 -2.029 1
1 278 . 16 1 1 A 32 32 CYS CB C 32 28.054 27.460 0.594 1
1 279 . 16 1 1 A 32 32 CYS N N 32 124.126 124.508 -0.382 1
1 280 . 16 1 1 A 33 33 VAL H H 33 8.893 8.870 0.023 1
1 281 . 16 1 1 A 33 33 VAL HA H 33 4.103 4.353 -0.250 1
1 289 . 16 1 1 A 33 33 VAL C C 33 175.525 175.994 -0.469 1
1 290 . 16 1 1 A 33 33 VAL CA C 33 61.551 61.069 0.482 1
1 291 . 16 1 1 A 33 33 VAL CB C 33 34.027 33.753 0.274 1
1 294 . 16 1 1 A 33 33 VAL N N 33 129.037 128.232 0.805 1
1 295 . 16 1 1 A 34 34 ASN HA H 34 4.389 4.408 -0.019 1
1 300 . 16 1 1 A 34 34 ASN C C 34 174.946 175.362 -0.416 1
1 301 . 16 1 1 A 34 34 ASN CA C 34 53.922 54.728 -0.806 1
1 302 . 16 1 1 A 34 34 ASN CB C 34 37.332 37.464 -0.132 1
1 304 . 16 1 1 A 35 35 GLY H H 35 7.896 8.095 -0.199 1
1 305 . 16 1 1 A 35 35 GLY HA2 H 35 3.891 3.617 0.274 1
1 306 . 16 1 1 A 35 35 GLY HA3 H 35 3.180 3.686 -0.506 1
1 307 . 16 1 1 A 35 35 GLY C C 35 172.892 173.950 -1.058 1
1 308 . 16 1 1 A 35 35 GLY CA C 35 45.290 45.042 0.248 1
1 309 . 16 1 1 A 35 35 GLY N N 35 102.630 104.016 -1.386 1
1 310 . 16 1 1 A 36 36 HIS H H 36 7.694 7.408 0.286 1
1 311 . 16 1 1 A 36 36 HIS HA H 36 4.433 4.509 -0.076 1
1 315 . 16 1 1 A 36 36 HIS C C 36 172.910 174.759 -1.849 1
1 316 . 16 1 1 A 36 36 HIS CA C 36 54.433 56.279 -1.846 1
1 317 . 16 1 1 A 36 36 HIS CB C 36 32.464 30.339 2.125 1
1 319 . 16 1 1 A 36 36 HIS N N 36 119.651 118.677 0.974 1
1 320 . 16 1 1 A 37 37 PHE H H 37 8.502 9.190 -0.688 1
1 321 . 16 1 1 A 37 37 PHE HA H 37 5.314 5.311 0.003 1
1 329 . 16 1 1 A 37 37 PHE C C 37 174.239 174.715 -0.476 1
1 330 . 16 1 1 A 37 37 PHE CA C 37 56.424 56.940 -0.516 1
1 331 . 16 1 1 A 37 37 PHE CB C 37 41.572 41.394 0.178 1
1 337 . 16 1 1 A 37 37 PHE N N 37 119.583 122.072 -2.489 1
1 338 . 16 1 1 A 38 38 PHE H H 38 8.664 8.731 -0.067 1
1 339 . 16 1 1 A 38 38 PHE HA H 38 5.866 4.858 1.008 1
1 347 . 16 1 1 A 38 38 PHE C C 38 177.496 175.157 2.339 1
1 348 . 16 1 1 A 38 38 PHE CA C 38 55.296 56.498 -1.202 1
1 349 . 16 1 1 A 38 38 PHE CB C 38 44.392 42.878 1.514 1
1 355 . 16 1 1 A 38 38 PHE N N 38 116.719 118.945 -2.226 1
1 356 . 16 1 1 A 39 39 HIS H H 39 8.854 8.781 0.073 1
1 357 . 16 1 1 A 39 39 HIS HA H 39 4.675 4.650 0.025 1
1 362 . 16 1 1 A 39 39 HIS C C 39 178.476 176.082 2.394 1
1 363 . 16 1 1 A 39 39 HIS CA C 39 59.297 57.083 2.214 1
1 364 . 16 1 1 A 39 39 HIS CB C 39 30.980 30.438 0.542 1
1 367 . 16 1 1 A 39 39 HIS N N 39 120.015 119.956 0.059 1
1 368 . 16 1 1 A 40 40 ARG H H 40 9.256 8.893 0.363 1
1 369 . 16 1 1 A 40 40 ARG HA H 40 3.965 3.904 0.061 1
1 376 . 16 1 1 A 40 40 ARG C C 40 179.459 177.433 2.026 1
1 377 . 16 1 1 A 40 40 ARG CA C 40 60.547 59.072 1.475 1
1 378 . 16 1 1 A 40 40 ARG CB C 40 29.598 30.192 -0.594 1
1 381 . 16 1 1 A 40 40 ARG N N 40 126.206 124.941 1.265 1
1 382 . 16 1 1 A 41 41 SER H H 41 8.643 7.837 0.806 1
1 383 . 16 1 1 A 41 41 SER HA H 41 4.221 4.526 -0.305 1
1 386 . 16 1 1 A 41 41 SER C C 41 175.499 176.860 -1.361 1
1 387 . 16 1 1 A 41 41 SER CA C 41 60.160 60.787 -0.627 1
1 388 . 16 1 1 A 41 41 SER CB C 41 62.847 63.720 -0.873 1
1 389 . 16 1 1 A 41 41 SER N N 41 109.970 114.502 -4.532 1
1 390 . 16 1 1 A 42 42 CYS H H 42 7.427 8.401 -0.974 1
1 391 . 16 1 1 A 42 42 CYS HA H 42 4.306 4.162 0.144 1
1 394 . 16 1 1 A 42 42 CYS C C 42 174.200 176.357 -2.157 1
1 395 . 16 1 1 A 42 42 CYS CA C 42 61.569 63.409 -1.840 1
1 396 . 16 1 1 A 42 42 CYS CB C 42 30.945 26.945 4.000 1
1 397 . 16 1 1 A 42 42 CYS N N 42 118.020 119.566 -1.546 1
1 398 . 16 1 1 A 43 43 PHE H H 43 7.257 7.777 -0.520 1
1 399 . 16 1 1 A 43 43 PHE HA H 43 4.122 4.206 -0.084 1
1 407 . 16 1 1 A 43 43 PHE C C 43 172.037 174.407 -2.370 1
1 408 . 16 1 1 A 43 43 PHE CA C 43 57.112 58.503 -1.391 1
1 409 . 16 1 1 A 43 43 PHE CB C 43 37.448 39.130 -1.682 1
1 415 . 16 1 1 A 43 43 PHE N N 43 122.965 121.092 1.873 1
1 416 . 16 1 1 A 44 44 ARG H H 44 7.110 8.342 -1.232 1
1 417 . 16 1 1 A 44 44 ARG HA H 44 4.821 4.956 -0.135 1
1 424 . 16 1 1 A 44 44 ARG C C 44 174.097 174.897 -0.800 1
1 425 . 16 1 1 A 44 44 ARG CA C 44 53.323 53.436 -0.113 1
1 426 . 16 1 1 A 44 44 ARG CB C 44 34.911 34.319 0.592 1
1 429 . 16 1 1 A 44 44 ARG N N 44 123.199 125.655 -2.456 1
1 430 . 16 1 1 A 45 45 CYS H H 45 8.580 8.578 0.002 1
1 431 . 16 1 1 A 45 45 CYS HA H 45 4.055 4.458 -0.403 1
1 434 . 16 1 1 A 45 45 CYS C C 45 177.493 175.264 2.229 1
1 435 . 16 1 1 A 45 45 CYS CA C 45 59.878 59.776 0.102 1
1 436 . 16 1 1 A 45 45 CYS CB C 45 32.052 28.916 3.136 1
1 437 . 16 1 1 A 45 45 CYS N N 45 121.527 121.127 0.400 1
1 438 . 16 1 1 A 46 46 HIS H H 46 9.187 8.630 0.557 1
1 439 . 16 1 1 A 46 46 HIS HA H 46 4.184 4.538 -0.354 1
1 443 . 16 1 1 A 46 46 HIS C C 46 175.000 176.141 -1.141 1
1 444 . 16 1 1 A 46 46 HIS CA C 46 59.137 57.197 1.940 1
1 445 . 16 1 1 A 46 46 HIS CB C 46 29.560 30.351 -0.791 1
1 447 . 16 1 1 A 46 46 HIS N N 46 130.205 125.180 5.025 1
1 448 . 16 1 1 A 47 47 THR H H 47 8.848 7.643 1.205 1
1 449 . 16 1 1 A 47 47 THR HA H 47 4.134 4.416 -0.282 1
1 454 . 16 1 1 A 47 47 THR C C 47 174.926 175.934 -1.008 1
1 455 . 16 1 1 A 47 47 THR CA C 47 65.535 63.837 1.698 1
1 456 . 16 1 1 A 47 47 THR CB C 47 70.010 70.718 -0.708 1
1 458 . 16 1 1 A 47 47 THR N N 47 116.066 111.776 4.290 1
1 459 . 16 1 1 A 48 48 CYS H H 48 8.181 8.182 -0.001 1
1 460 . 16 1 1 A 48 48 CYS HA H 48 4.821 4.537 0.284 1
1 463 . 16 1 1 A 48 48 CYS C C 48 176.004 174.652 1.352 1
1 464 . 16 1 1 A 48 48 CYS CA C 48 59.050 58.272 0.778 1
1 465 . 16 1 1 A 48 48 CYS CB C 48 32.944 28.698 4.246 1
1 466 . 16 1 1 A 48 48 CYS N N 48 119.626 116.090 3.536 1
1 467 . 16 1 1 A 49 49 GLU H H 49 8.081 7.998 0.083 1
1 468 . 16 1 1 A 49 49 GLU HA H 49 3.865 4.197 -0.332 1
1 473 . 16 1 1 A 49 49 GLU C C 49 174.137 174.702 -0.565 1
1 474 . 16 1 1 A 49 49 GLU CA C 49 58.732 57.529 1.203 1
1 475 . 16 1 1 A 49 49 GLU CB C 49 27.345 27.202 0.143 1
1 477 . 16 1 1 A 49 49 GLU N N 49 116.307 116.921 -0.614 1
1 478 . 16 1 1 A 50 50 ALA H H 50 8.498 7.780 0.718 1
1 479 . 16 1 1 A 50 50 ALA HA H 50 4.388 4.580 -0.192 1
1 483 . 16 1 1 A 50 50 ALA C C 50 178.362 177.047 1.315 1
1 484 . 16 1 1 A 50 50 ALA CA C 50 53.111 50.471 2.640 1
1 485 . 16 1 1 A 50 50 ALA CB C 50 20.334 20.783 -0.449 1
1 486 . 16 1 1 A 50 50 ALA N N 50 124.211 120.769 3.442 1
1 487 . 16 1 1 A 51 51 THR H H 51 8.470 8.435 0.035 1
1 488 . 16 1 1 A 51 51 THR HA H 51 3.811 3.840 -0.029 1
1 493 . 16 1 1 A 51 51 THR C C 51 173.931 173.649 0.282 1
1 494 . 16 1 1 A 51 51 THR CA C 51 64.345 63.633 0.712 1
1 495 . 16 1 1 A 51 51 THR CB C 51 69.428 67.930 1.498 1
1 497 . 16 1 1 A 51 51 THR N N 51 117.025 116.837 0.188 1
1 498 . 16 1 1 A 52 52 LEU H H 52 7.421 8.053 -0.632 1
1 499 . 16 1 1 A 52 52 LEU HA H 52 4.439 4.308 0.131 1
1 509 . 16 1 1 A 52 52 LEU C C 52 175.390 175.802 -0.412 1
1 510 . 16 1 1 A 52 52 LEU CA C 52 53.728 54.383 -0.655 1
1 511 . 16 1 1 A 52 52 LEU CB C 52 42.020 40.369 1.651 1
1 515 . 16 1 1 A 52 52 LEU N N 52 125.339 127.767 -2.428 1
1 516 . 16 1 1 A 53 53 TRP H H 53 8.089 8.044 0.045 1
1 517 . 16 1 1 A 53 53 TRP HA H 53 5.148 4.751 0.397 1
1 526 . 16 1 1 A 53 53 TRP C C 53 173.534 176.789 -3.255 1
1 527 . 16 1 1 A 53 53 TRP CA C 53 54.345 56.678 -2.333 1
1 528 . 16 1 1 A 53 53 TRP CB C 53 30.134 29.208 0.926 1
1 534 . 16 1 1 A 53 53 TRP N N 53 120.731 126.683 -5.952 1
1 536 . 16 1 1 A 54 54 PRO HA H 54 4.553 4.656 -0.103 1
1 543 . 16 1 1 A 54 54 PRO CA C 54 64.882 64.139 0.743 1
1 544 . 16 1 1 A 54 54 PRO CB C 54 31.969 31.615 0.354 1
1 547 . 16 1 1 A 55 55 GLY HA2 H 55 4.330 4.202 0.128 1
1 548 . 16 1 1 A 55 55 GLY HA3 H 55 3.795 4.224 -0.429 1
1 549 . 16 1 1 A 55 55 GLY C C 55 175.195 174.036 1.159 1
1 550 . 16 1 1 A 55 55 GLY CA C 55 45.586 45.823 -0.237 1
1 551 . 16 1 1 A 56 56 GLY H H 56 8.653 7.678 0.975 1
1 552 . 16 1 1 A 56 56 GLY HA2 H 56 4.567 4.261 0.306 1
1 553 . 16 1 1 A 56 56 GLY HA3 H 56 3.380 4.330 -0.950 1
1 554 . 16 1 1 A 56 56 GLY C C 56 174.377 173.338 1.039 1
1 555 . 16 1 1 A 56 56 GLY CA C 56 45.237 45.875 -0.638 1
1 556 . 16 1 1 A 56 56 GLY N N 56 107.803 106.688 1.115 1
1 557 . 16 1 1 A 57 57 TYR H H 57 7.269 7.931 -0.662 1
1 558 . 16 1 1 A 57 57 TYR HA H 57 5.600 5.256 0.344 1
1 565 . 16 1 1 A 57 57 TYR C C 57 173.258 173.613 -0.355 1
1 566 . 16 1 1 A 57 57 TYR CA C 57 55.666 56.372 -0.706 1
1 567 . 16 1 1 A 57 57 TYR CB C 57 44.451 40.812 3.639 1
1 572 . 16 1 1 A 57 57 TYR N N 57 116.315 116.412 -0.097 1
1 573 . 16 1 1 A 58 58 GLU H H 58 8.948 8.984 -0.036 1
1 574 . 16 1 1 A 58 58 GLU HA H 58 4.546 4.755 -0.209 1
1 579 . 16 1 1 A 58 58 GLU C C 58 174.242 174.481 -0.239 1
1 580 . 16 1 1 A 58 58 GLU CA C 58 55.790 55.307 0.483 1
1 581 . 16 1 1 A 58 58 GLU CB C 58 35.177 34.522 0.655 1
1 583 . 16 1 1 A 58 58 GLU N N 58 117.931 119.059 -1.128 1
1 584 . 16 1 1 A 59 59 GLN H H 59 9.205 8.928 0.277 1
1 585 . 16 1 1 A 59 59 GLN HA H 59 4.760 4.963 -0.203 1
1 592 . 16 1 1 A 59 59 GLN C C 59 175.807 175.379 0.428 1
1 593 . 16 1 1 A 59 59 GLN CA C 59 53.904 54.018 -0.114 1
1 594 . 16 1 1 A 59 59 GLN CB C 59 29.530 29.660 -0.130 1
1 596 . 16 1 1 A 59 59 GLN N N 59 123.928 123.001 0.927 1
1 598 . 16 1 1 A 60 60 HIS H H 60 9.330 8.995 0.335 1
1 599 . 16 1 1 A 60 60 HIS HA H 60 4.945 4.553 0.392 1
1 604 . 16 1 1 A 60 60 HIS C C 60 175.428 175.507 -0.079 1
1 605 . 16 1 1 A 60 60 HIS CA C 60 54.556 55.205 -0.649 1
1 606 . 16 1 1 A 60 60 HIS CB C 60 32.329 31.169 1.160 1
1 609 . 16 1 1 A 60 60 HIS N N 60 131.634 127.158 4.476 1
1 610 . 16 1 1 A 61 61 PRO HA H 61 4.269 4.110 0.159 1
1 617 . 16 1 1 A 61 61 PRO CA C 61 64.043 64.744 -0.701 1
1 618 . 16 1 1 A 61 61 PRO CB C 61 31.752 31.761 -0.009 1
1 621 . 16 1 1 A 62 62 GLY H H 62 7.210 8.095 -0.885 1
1 622 . 16 1 1 A 62 62 GLY HA2 H 62 3.928 3.762 0.166 1
1 623 . 16 1 1 A 62 62 GLY HA3 H 62 3.666 3.934 -0.268 1
1 624 . 16 1 1 A 62 62 GLY CA C 62 46.610 47.208 -0.598 1
1 625 . 16 1 1 A 62 62 GLY N N 62 105.065 106.041 -0.976 1
1 626 . 16 1 1 A 63 63 ASP H H 63 8.237 8.003 0.234 1
1 627 . 16 1 1 A 63 63 ASP HA H 63 4.648 4.510 0.138 1
1 630 . 16 1 1 A 63 63 ASP C C 63 177.303 176.157 1.146 1
1 631 . 16 1 1 A 63 63 ASP CA C 63 53.182 55.776 -2.594 1
1 632 . 16 1 1 A 63 63 ASP CB C 63 42.216 41.369 0.847 1
1 633 . 16 1 1 A 63 63 ASP N N 63 118.685 120.960 -2.275 1
1 634 . 16 1 1 A 64 64 GLY H H 64 8.315 7.910 0.405 1
1 635 . 16 1 1 A 64 64 GLY HA2 H 64 3.900 3.855 0.045 1
1 636 . 16 1 1 A 64 64 GLY HA3 H 64 3.635 3.914 -0.279 1
1 637 . 16 1 1 A 64 64 GLY C C 64 174.457 173.575 0.882 1
1 638 . 16 1 1 A 64 64 GLY CA C 64 46.004 45.118 0.886 1
1 639 . 16 1 1 A 64 64 GLY N N 64 109.742 105.786 3.956 1
1 640 . 16 1 1 A 65 65 HIS H H 65 9.101 7.894 1.207 1
1 641 . 16 1 1 A 65 65 HIS HA H 65 4.675 4.980 -0.305 1
1 645 . 16 1 1 A 65 65 HIS C C 65 173.603 173.457 0.146 1
1 646 . 16 1 1 A 65 65 HIS CA C 65 55.208 54.635 0.573 1
1 647 . 16 1 1 A 65 65 HIS CB C 65 30.321 34.042 -3.721 1
1 649 . 16 1 1 A 65 65 HIS N N 65 121.111 116.853 4.258 1
1 650 . 16 1 1 A 66 66 PHE H H 66 8.841 8.551 0.290 1
1 651 . 16 1 1 A 66 66 PHE HA H 66 5.005 5.358 -0.353 1
1 659 . 16 1 1 A 66 66 PHE C C 66 174.272 174.235 0.037 1
1 660 . 16 1 1 A 66 66 PHE CA C 66 57.904 56.238 1.666 1
1 661 . 16 1 1 A 66 66 PHE CB C 66 40.990 41.319 -0.329 1
1 667 . 16 1 1 A 66 66 PHE N N 66 118.465 117.553 0.912 1
1 668 . 16 1 1 A 67 67 TYR H H 67 8.714 9.337 -0.623 1
1 669 . 16 1 1 A 67 67 TYR HA H 67 5.676 5.166 0.510 1
1 676 . 16 1 1 A 67 67 TYR C C 67 176.345 175.774 0.571 1
1 677 . 16 1 1 A 67 67 TYR CA C 67 56.829 56.704 0.125 1
1 678 . 16 1 1 A 67 67 TYR CB C 67 43.668 43.121 0.547 1
1 683 . 16 1 1 A 67 67 TYR N N 67 117.828 121.394 -3.566 1
1 684 . 16 1 1 A 68 68 CYS H H 68 9.524 8.703 0.821 1
1 685 . 16 1 1 A 68 68 CYS HA H 68 5.152 4.888 0.264 1
1 688 . 16 1 1 A 68 68 CYS C C 68 176.563 176.372 0.191 1
1 689 . 16 1 1 A 68 68 CYS CA C 68 58.468 58.057 0.411 1
1 690 . 16 1 1 A 68 68 CYS CB C 68 29.373 29.584 -0.211 1
1 691 . 16 1 1 A 68 68 CYS N N 68 120.631 120.316 0.315 1
1 692 . 16 1 1 A 69 69 LEU H H 69 7.630 8.741 -1.111 1
1 693 . 16 1 1 A 69 69 LEU HA H 69 3.952 4.395 -0.443 1
1 703 . 16 1 1 A 69 69 LEU C C 69 179.373 176.729 2.644 1
1 704 . 16 1 1 A 69 69 LEU CA C 69 58.080 55.261 2.819 1
1 705 . 16 1 1 A 69 69 LEU CB C 69 40.125 41.300 -1.175 1
1 709 . 16 1 1 A 69 69 LEU N N 69 117.279 121.670 -4.391 1
1 710 . 16 1 1 A 70 70 GLN H H 70 8.159 8.238 -0.079 1
1 711 . 16 1 1 A 70 70 GLN HA H 70 4.106 4.637 -0.531 1
1 718 . 16 1 1 A 70 70 GLN C C 70 177.094 176.909 0.185 1
1 719 . 16 1 1 A 70 70 GLN CA C 70 57.781 55.927 1.854 1
1 720 . 16 1 1 A 70 70 GLN CB C 70 28.537 30.585 -2.048 1
1 722 . 16 1 1 A 70 70 GLN N N 70 115.749 119.221 -3.472 1
1 724 . 16 1 1 A 71 71 HIS H H 71 7.651 7.559 0.092 1
1 725 . 16 1 1 A 71 71 HIS HA H 71 4.917 4.727 0.190 1
1 730 . 16 1 1 A 71 71 HIS C C 71 173.431 175.055 -1.624 1
1 731 . 16 1 1 A 71 71 HIS CA C 71 56.142 56.245 -0.103 1
1 732 . 16 1 1 A 71 71 HIS CB C 71 33.010 31.692 1.318 1
1 735 . 16 1 1 A 71 71 HIS N N 71 116.846 115.990 0.856 1
1 736 . 16 1 1 A 72 72 LEU H H 72 7.154 7.554 -0.400 1
1 737 . 16 1 1 A 72 72 LEU HA H 72 3.772 4.161 -0.389 1
1 747 . 16 1 1 A 72 72 LEU C C 72 174.748 175.114 -0.366 1
1 748 . 16 1 1 A 72 72 LEU CA C 72 53.499 53.281 0.218 1
1 749 . 16 1 1 A 72 72 LEU CB C 72 42.729 42.943 -0.214 1
1 753 . 16 1 1 A 72 72 LEU N N 72 124.029 122.157 1.872 1
1 754 . 16 1 1 A 73 73 PRO HA H 73 4.145 4.455 -0.310 1
1 761 . 16 1 1 A 73 73 PRO C C 73 175.785 175.484 0.301 1
1 762 . 16 1 1 A 73 73 PRO CA C 73 63.050 62.132 0.918 1
1 763 . 16 1 1 A 73 73 PRO CB C 73 32.055 32.565 -0.510 1
1 766 . 16 1 1 A 74 74 GLN H H 74 8.359 8.550 -0.191 1
1 767 . 16 1 1 A 74 74 GLN HA H 74 4.386 5.065 -0.679 1
1 774 . 16 1 1 A 74 74 GLN C C 74 176.731 175.559 1.172 1
1 775 . 16 1 1 A 74 74 GLN CA C 74 55.526 54.641 0.885 1
1 776 . 16 1 1 A 74 74 GLN CB C 74 29.817 31.926 -2.109 1
1 778 . 16 1 1 A 74 74 GLN N N 74 120.467 118.562 1.905 1
1 780 . 16 1 1 A 75 75 THR H H 75 8.368 8.760 -0.392 1
1 781 . 16 1 1 A 75 75 THR HA H 75 4.390 4.330 0.060 1
1 786 . 16 1 1 A 75 75 THR C C 75 174.257 173.438 0.819 1
1 787 . 16 1 1 A 75 75 THR CA C 75 61.993 62.703 -0.710 1
1 788 . 16 1 1 A 75 75 THR CB C 75 69.991 69.495 0.496 1
1 790 . 16 1 1 A 75 75 THR N N 75 116.318 117.222 -0.904 1
1 791 . 16 1 1 A 76 76 ASP H H 76 8.528 8.799 -0.271 1
1 792 . 16 1 1 A 76 76 ASP HA H 76 4.700 4.958 -0.258 1
1 795 . 16 1 1 A 76 76 ASP C C 76 176.200 175.392 0.808 1
1 796 . 16 1 1 A 76 76 ASP CA C 76 54.363 53.591 0.772 1
1 797 . 16 1 1 A 76 76 ASP CB C 76 41.362 43.760 -2.398 1
1 798 . 16 1 1 A 76 76 ASP N N 76 123.204 123.186 0.018 1
1 799 . 16 1 1 A 77 77 SER H H 77 8.346 9.110 -0.764 1
1 800 . 16 1 1 A 77 77 SER HA H 77 4.497 4.111 0.386 1
1 803 . 16 1 1 A 77 77 SER C C 77 174.724 173.850 0.874 1
1 804 . 16 1 1 A 77 77 SER CA C 77 58.451 58.947 -0.496 1
1 805 . 16 1 1 A 77 77 SER CB C 77 64.101 61.960 2.141 1
1 806 . 16 1 1 A 77 77 SER N N 77 116.515 120.341 -3.826 1
1 807 . 16 1 1 A 78 78 GLY H H 78 8.330 8.047 0.283 1
1 808 . 16 1 1 A 78 78 GLY HA2 H 78 4.135 4.045 0.090 1
1 809 . 16 1 1 A 78 78 GLY HA3 H 78 4.135 4.047 0.088 1
1 810 . 16 1 1 A 78 78 GLY C C 78 171.883 174.790 -2.907 1
1 811 . 16 1 1 A 78 78 GLY CA C 78 44.745 44.353 0.392 1
1 812 . 16 1 1 A 78 78 GLY N N 78 110.837 110.083 0.754 1
1 813 . 16 1 1 A 79 79 PRO HA H 79 4.501 4.417 0.084 1
1 820 . 16 1 1 A 79 79 PRO C C 79 177.463 176.120 1.343 1
1 821 . 16 1 1 A 79 79 PRO CA C 79 63.332 64.307 -0.975 1
1 822 . 16 1 1 A 79 79 PRO CB C 79 32.229 31.942 0.287 1
1 825 . 16 1 1 A 80 80 SER H H 80 8.531 7.764 0.767 1
1 826 . 16 1 1 A 80 80 SER HA H 80 4.521 5.021 -0.500 1
1 829 . 16 1 1 A 80 80 SER C C 80 174.760 173.077 1.683 1
1 830 . 16 1 1 A 80 80 SER CA C 80 58.398 57.631 0.767 1
1 831 . 16 1 1 A 80 80 SER CB C 80 63.978 67.064 -3.086 1
1 832 . 16 1 1 A 80 80 SER N N 80 116.479 115.265 1.214 1
1 833 . 16 1 1 A 81 81 SER H H 81 8.358 8.510 -0.152 1
1 834 . 16 1 1 A 81 81 SER HA H 81 4.530 5.127 -0.597 1
1 837 . 16 1 1 A 81 81 SER C C 81 173.982 174.476 -0.494 1
1 838 . 16 1 1 A 81 81 SER CA C 81 58.416 57.826 0.590 1
1 839 . 16 1 1 A 81 81 SER CB C 81 64.082 64.857 -0.775 1
1 840 . 16 1 1 A 81 81 SER N N 81 117.964 119.049 -1.085 1
1 1 . 17 1 1 A 9 9 HIS HA H 9 4.627 5.123 -0.496 1
1 5 . 17 1 1 A 9 9 HIS C C 9 175.239 173.967 1.272 1
1 6 . 17 1 1 A 9 9 HIS CA C 9 56.347 54.504 1.843 1
1 7 . 17 1 1 A 9 9 HIS CB C 9 30.681 32.008 -1.327 1
1 9 . 17 1 1 A 10 10 GLN H H 10 8.313 8.612 -0.299 1
1 10 . 17 1 1 A 10 10 GLN HA H 10 4.323 4.224 0.099 1
1 17 . 17 1 1 A 10 10 GLN C C 10 175.703 177.074 -1.371 1
1 18 . 17 1 1 A 10 10 GLN CA C 10 55.875 56.128 -0.253 1
1 19 . 17 1 1 A 10 10 GLN CB C 10 29.726 29.760 -0.034 1
1 21 . 17 1 1 A 10 10 GLN N N 10 122.031 122.148 -0.117 1
1 23 . 17 1 1 A 11 11 GLU H H 11 8.546 8.887 -0.341 1
1 24 . 17 1 1 A 11 11 GLU HA H 11 4.275 4.300 -0.025 1
1 29 . 17 1 1 A 11 11 GLU C C 11 176.303 176.221 0.082 1
1 30 . 17 1 1 A 11 11 GLU CA C 11 56.472 58.657 -2.185 1
1 31 . 17 1 1 A 11 11 GLU CB C 11 30.303 30.508 -0.205 1
1 33 . 17 1 1 A 11 11 GLU N N 11 122.648 122.119 0.529 1
1 34 . 17 1 1 A 12 12 ALA H H 12 8.403 7.607 0.796 1
1 35 . 17 1 1 A 12 12 ALA HA H 12 4.288 4.721 -0.433 1
1 39 . 17 1 1 A 12 12 ALA C C 12 178.231 175.906 2.325 1
1 40 . 17 1 1 A 12 12 ALA CA C 12 52.759 51.524 1.235 1
1 41 . 17 1 1 A 12 12 ALA CB C 12 19.237 22.361 -3.124 1
1 42 . 17 1 1 A 12 12 ALA N N 12 125.516 118.851 6.665 1
1 43 . 17 1 1 A 13 13 GLY H H 13 8.490 8.371 0.119 1
1 44 . 17 1 1 A 13 13 GLY HA2 H 13 3.994 4.142 -0.148 1
1 45 . 17 1 1 A 13 13 GLY HA3 H 13 3.890 4.142 -0.252 1
1 46 . 17 1 1 A 13 13 GLY C C 13 174.176 171.690 2.486 1
1 47 . 17 1 1 A 13 13 GLY CA C 13 45.094 46.077 -0.983 1
1 48 . 17 1 1 A 13 13 GLY N N 13 108.839 104.851 3.988 1
1 49 . 17 1 1 A 14 14 ALA H H 14 8.172 8.258 -0.086 1
1 50 . 17 1 1 A 14 14 ALA HA H 14 4.246 5.175 -0.929 1
1 54 . 17 1 1 A 14 14 ALA C C 14 178.304 176.855 1.449 1
1 55 . 17 1 1 A 14 14 ALA CA C 14 52.988 50.540 2.448 1
1 56 . 17 1 1 A 14 14 ALA CB C 14 19.228 22.309 -3.081 1
1 57 . 17 1 1 A 14 14 ALA N N 14 123.459 122.678 0.781 1
1 58 . 17 1 1 A 15 15 GLY H H 15 8.329 8.836 -0.507 1
1 59 . 17 1 1 A 15 15 GLY HA2 H 15 3.578 3.976 -0.398 1
1 60 . 17 1 1 A 15 15 GLY HA3 H 15 3.578 3.988 -0.410 1
1 61 . 17 1 1 A 15 15 GLY C C 15 173.577 173.249 0.328 1
1 62 . 17 1 1 A 15 15 GLY CA C 15 45.128 46.876 -1.748 1
1 63 . 17 1 1 A 15 15 GLY N N 15 107.276 108.779 -1.503 1
1 64 . 17 1 1 A 16 16 ASP H H 16 7.898 8.510 -0.612 1
1 65 . 17 1 1 A 16 16 ASP HA H 16 4.547 4.685 -0.138 1
1 68 . 17 1 1 A 16 16 ASP C C 16 174.898 173.942 0.956 1
1 69 . 17 1 1 A 16 16 ASP CA C 16 54.344 53.393 0.951 1
1 70 . 17 1 1 A 16 16 ASP CB C 16 41.534 38.659 2.875 1
1 71 . 17 1 1 A 16 16 ASP N N 16 118.642 124.207 -5.565 1
1 72 . 17 1 1 A 17 17 LEU H H 17 7.822 7.620 0.202 1
1 73 . 17 1 1 A 17 17 LEU HA H 17 4.446 4.885 -0.439 1
1 83 . 17 1 1 A 17 17 LEU C C 17 175.902 175.537 0.365 1
1 84 . 17 1 1 A 17 17 LEU CA C 17 53.128 53.176 -0.048 1
1 85 . 17 1 1 A 17 17 LEU CB C 17 44.656 45.471 -0.815 1
1 89 . 17 1 1 A 17 17 LEU N N 17 119.654 121.580 -1.926 1
1 90 . 17 1 1 A 18 18 CYS H H 18 8.080 8.386 -0.306 1
1 91 . 17 1 1 A 18 18 CYS HA H 18 4.248 4.172 0.076 1
1 94 . 17 1 1 A 18 18 CYS C C 18 177.466 175.047 2.419 1
1 95 . 17 1 1 A 18 18 CYS CA C 18 58.398 59.330 -0.932 1
1 96 . 17 1 1 A 18 18 CYS CB C 18 31.990 28.303 3.687 1
1 97 . 17 1 1 A 18 18 CYS N N 18 123.013 124.003 -0.990 1
1 98 . 17 1 1 A 19 19 ALA H H 19 9.211 8.434 0.777 1
1 99 . 17 1 1 A 19 19 ALA HA H 19 4.172 4.042 0.130 1
1 103 . 17 1 1 A 19 19 ALA C C 19 177.724 179.371 -1.647 1
1 104 . 17 1 1 A 19 19 ALA CA C 19 54.327 53.739 0.588 1
1 105 . 17 1 1 A 19 19 ALA CB C 19 18.662 19.100 -0.438 1
1 106 . 17 1 1 A 19 19 ALA N N 19 132.258 127.037 5.221 1
1 107 . 17 1 1 A 20 20 LEU H H 20 8.911 7.904 1.007 1
1 108 . 17 1 1 A 20 20 LEU HA H 20 4.736 3.988 0.748 1
1 118 . 17 1 1 A 20 20 LEU C C 20 177.779 178.893 -1.114 1
1 119 . 17 1 1 A 20 20 LEU CA C 20 56.935 58.294 -1.359 1
1 120 . 17 1 1 A 20 20 LEU CB C 20 43.750 42.020 1.730 1
1 124 . 17 1 1 A 20 20 LEU N N 20 119.770 118.618 1.152 1
1 125 . 17 1 1 A 21 21 CYS H H 21 8.159 7.705 0.454 1
1 126 . 17 1 1 A 21 21 CYS HA H 21 4.962 4.448 0.514 1
1 129 . 17 1 1 A 21 21 CYS C C 21 176.947 175.559 1.388 1
1 130 . 17 1 1 A 21 21 CYS CA C 21 59.137 60.095 -0.958 1
1 131 . 17 1 1 A 21 21 CYS CB C 21 31.728 28.808 2.920 1
1 132 . 17 1 1 A 21 21 CYS N N 21 116.713 114.112 2.601 1
1 133 . 17 1 1 A 22 22 GLY H H 22 8.088 8.238 -0.150 1
1 134 . 17 1 1 A 22 22 GLY HA2 H 22 4.160 3.959 0.201 1
1 135 . 17 1 1 A 22 22 GLY HA3 H 22 3.865 3.982 -0.117 1
1 136 . 17 1 1 A 22 22 GLY C C 22 173.190 174.113 -0.923 1
1 137 . 17 1 1 A 22 22 GLY CA C 22 46.556 45.773 0.783 1
1 138 . 17 1 1 A 22 22 GLY N N 22 112.000 110.106 1.894 1
1 139 . 17 1 1 A 23 23 GLU H H 23 8.378 8.123 0.255 1
1 140 . 17 1 1 A 23 23 GLU HA H 23 4.712 4.783 -0.071 1
1 145 . 17 1 1 A 23 23 GLU C C 23 176.434 175.834 0.600 1
1 146 . 17 1 1 A 23 23 GLU CA C 23 55.014 54.743 0.271 1
1 147 . 17 1 1 A 23 23 GLU CB C 23 31.557 31.806 -0.249 1
1 149 . 17 1 1 A 23 23 GLU N N 23 118.877 119.215 -0.338 1
1 150 . 17 1 1 A 24 24 HIS H H 24 8.666 8.812 -0.146 1
1 151 . 17 1 1 A 24 24 HIS HA H 24 4.333 4.552 -0.219 1
1 156 . 17 1 1 A 24 24 HIS C C 24 175.281 174.702 0.579 1
1 157 . 17 1 1 A 24 24 HIS CA C 24 58.186 57.968 0.218 1
1 158 . 17 1 1 A 24 24 HIS CB C 24 30.099 30.636 -0.537 1
1 161 . 17 1 1 A 24 24 HIS N N 24 118.732 122.023 -3.291 1
1 162 . 17 1 1 A 25 25 LEU H H 25 7.928 7.797 0.131 1
1 163 . 17 1 1 A 25 25 LEU HA H 25 4.174 5.259 -1.085 1
1 173 . 17 1 1 A 25 25 LEU C C 25 175.186 175.368 -0.182 1
1 174 . 17 1 1 A 25 25 LEU CA C 25 53.992 53.863 0.129 1
1 175 . 17 1 1 A 25 25 LEU CB C 25 43.742 44.609 -0.867 1
1 179 . 17 1 1 A 25 25 LEU N N 25 125.590 125.448 0.142 1
1 180 . 17 1 1 A 26 26 TYR H H 26 8.768 8.955 -0.187 1
1 181 . 17 1 1 A 26 26 TYR HA H 26 4.651 5.019 -0.368 1
1 188 . 17 1 1 A 26 26 TYR C C 26 177.267 177.496 -0.229 1
1 189 . 17 1 1 A 26 26 TYR CA C 26 57.270 56.373 0.897 1
1 190 . 17 1 1 A 26 26 TYR CB C 26 38.210 40.334 -2.124 1
1 195 . 17 1 1 A 26 26 TYR N N 26 123.119 124.229 -1.110 1
1 196 . 17 1 1 A 27 27 VAL H H 27 8.086 7.699 0.387 1
1 197 . 17 1 1 A 27 27 VAL HA H 27 3.809 3.731 0.078 1
1 205 . 17 1 1 A 27 27 VAL C C 27 176.958 176.009 0.949 1
1 206 . 17 1 1 A 27 27 VAL CA C 27 64.551 64.655 -0.104 1
1 207 . 17 1 1 A 27 27 VAL CB C 27 31.788 31.330 0.458 1
1 210 . 17 1 1 A 27 27 VAL N N 27 121.055 122.145 -1.090 1
1 211 . 17 1 1 A 28 28 LEU H H 28 7.665 7.204 0.461 1
1 212 . 17 1 1 A 28 28 LEU HA H 28 4.285 4.555 -0.270 1
1 222 . 17 1 1 A 28 28 LEU C C 28 177.710 176.974 0.736 1
1 223 . 17 1 1 A 28 28 LEU CA C 28 56.297 54.372 1.925 1
1 224 . 17 1 1 A 28 28 LEU CB C 28 41.998 42.231 -0.233 1
1 228 . 17 1 1 A 28 28 LEU N N 28 119.062 120.194 -1.132 1
1 229 . 17 1 1 A 29 29 GLU H H 29 7.961 7.966 -0.005 1
1 230 . 17 1 1 A 29 29 GLU HA H 29 4.479 4.518 -0.039 1
1 235 . 17 1 1 A 29 29 GLU C C 29 175.755 176.234 -0.479 1
1 236 . 17 1 1 A 29 29 GLU CA C 29 56.248 56.921 -0.673 1
1 237 . 17 1 1 A 29 29 GLU CB C 29 30.550 32.635 -2.085 1
1 239 . 17 1 1 A 29 29 GLU N N 29 117.067 116.957 0.110 1
1 240 . 17 1 1 A 30 30 ARG H H 30 7.724 7.429 0.295 1
1 241 . 17 1 1 A 30 30 ARG HA H 30 4.688 4.429 0.259 1
1 248 . 17 1 1 A 30 30 ARG C C 30 174.546 175.854 -1.308 1
1 249 . 17 1 1 A 30 30 ARG CA C 30 55.948 56.266 -0.318 1
1 250 . 17 1 1 A 30 30 ARG CB C 30 33.034 30.416 2.618 1
1 253 . 17 1 1 A 30 30 ARG N N 30 120.305 118.651 1.654 1
1 254 . 17 1 1 A 31 31 LEU H H 31 8.970 8.898 0.072 1
1 255 . 17 1 1 A 31 31 LEU HA H 31 4.635 4.791 -0.156 1
1 265 . 17 1 1 A 31 31 LEU C C 31 174.536 175.446 -0.910 1
1 266 . 17 1 1 A 31 31 LEU CA C 31 54.168 53.659 0.509 1
1 267 . 17 1 1 A 31 31 LEU CB C 31 45.021 42.972 2.049 1
1 271 . 17 1 1 A 31 31 LEU N N 31 124.553 124.542 0.011 1
1 272 . 17 1 1 A 32 32 CYS H H 32 8.558 8.735 -0.177 1
1 273 . 17 1 1 A 32 32 CYS HA H 32 4.954 4.571 0.383 1
1 276 . 17 1 1 A 32 32 CYS C C 32 174.418 174.126 0.292 1
1 277 . 17 1 1 A 32 32 CYS CA C 32 56.874 58.912 -2.038 1
1 278 . 17 1 1 A 32 32 CYS CB C 32 28.054 27.729 0.325 1
1 279 . 17 1 1 A 32 32 CYS N N 32 124.126 124.731 -0.605 1
1 280 . 17 1 1 A 33 33 VAL H H 33 8.893 9.049 -0.156 1
1 281 . 17 1 1 A 33 33 VAL HA H 33 4.103 4.429 -0.326 1
1 289 . 17 1 1 A 33 33 VAL C C 33 175.525 175.989 -0.464 1
1 290 . 17 1 1 A 33 33 VAL CA C 33 61.551 61.084 0.467 1
1 291 . 17 1 1 A 33 33 VAL CB C 33 34.027 33.092 0.935 1
1 294 . 17 1 1 A 33 33 VAL N N 33 129.037 125.893 3.144 1
1 295 . 17 1 1 A 34 34 ASN HA H 34 4.389 4.416 -0.027 1
1 300 . 17 1 1 A 34 34 ASN C C 34 174.946 175.227 -0.281 1
1 301 . 17 1 1 A 34 34 ASN CA C 34 53.922 54.490 -0.568 1
1 302 . 17 1 1 A 34 34 ASN CB C 34 37.332 36.953 0.379 1
1 304 . 17 1 1 A 35 35 GLY H H 35 7.896 8.063 -0.167 1
1 305 . 17 1 1 A 35 35 GLY HA2 H 35 3.891 3.604 0.287 1
1 306 . 17 1 1 A 35 35 GLY HA3 H 35 3.180 3.645 -0.465 1
1 307 . 17 1 1 A 35 35 GLY C C 35 172.892 174.210 -1.318 1
1 308 . 17 1 1 A 35 35 GLY CA C 35 45.290 44.816 0.474 1
1 309 . 17 1 1 A 35 35 GLY N N 35 102.630 104.898 -2.268 1
1 310 . 17 1 1 A 36 36 HIS H H 36 7.694 7.010 0.684 1
1 311 . 17 1 1 A 36 36 HIS HA H 36 4.433 4.255 0.178 1
1 315 . 17 1 1 A 36 36 HIS C C 36 172.910 174.038 -1.128 1
1 316 . 17 1 1 A 36 36 HIS CA C 36 54.433 55.937 -1.504 1
1 317 . 17 1 1 A 36 36 HIS CB C 36 32.464 30.666 1.798 1
1 319 . 17 1 1 A 36 36 HIS N N 36 119.651 118.306 1.345 1
1 320 . 17 1 1 A 37 37 PHE H H 37 8.502 8.758 -0.256 1
1 321 . 17 1 1 A 37 37 PHE HA H 37 5.314 5.469 -0.155 1
1 329 . 17 1 1 A 37 37 PHE C C 37 174.239 174.392 -0.153 1
1 330 . 17 1 1 A 37 37 PHE CA C 37 56.424 55.769 0.655 1
1 331 . 17 1 1 A 37 37 PHE CB C 37 41.572 41.274 0.298 1
1 337 . 17 1 1 A 37 37 PHE N N 37 119.583 119.698 -0.115 1
1 338 . 17 1 1 A 38 38 PHE H H 38 8.664 8.751 -0.087 1
1 339 . 17 1 1 A 38 38 PHE HA H 38 5.866 4.867 0.999 1
1 347 . 17 1 1 A 38 38 PHE C C 38 177.496 175.152 2.344 1
1 348 . 17 1 1 A 38 38 PHE CA C 38 55.296 56.346 -1.050 1
1 349 . 17 1 1 A 38 38 PHE CB C 38 44.392 43.122 1.270 1
1 355 . 17 1 1 A 38 38 PHE N N 38 116.719 120.542 -3.823 1
1 356 . 17 1 1 A 39 39 HIS H H 39 8.854 8.705 0.149 1
1 357 . 17 1 1 A 39 39 HIS HA H 39 4.675 4.669 0.006 1
1 362 . 17 1 1 A 39 39 HIS C C 39 178.476 176.800 1.676 1
1 363 . 17 1 1 A 39 39 HIS CA C 39 59.297 57.021 2.276 1
1 364 . 17 1 1 A 39 39 HIS CB C 39 30.980 30.175 0.805 1
1 367 . 17 1 1 A 39 39 HIS N N 39 120.015 120.136 -0.121 1
1 368 . 17 1 1 A 40 40 ARG H H 40 9.256 8.462 0.794 1
1 369 . 17 1 1 A 40 40 ARG HA H 40 3.965 3.922 0.043 1
1 376 . 17 1 1 A 40 40 ARG C C 40 179.459 178.123 1.336 1
1 377 . 17 1 1 A 40 40 ARG CA C 40 60.547 60.157 0.390 1
1 378 . 17 1 1 A 40 40 ARG CB C 40 29.598 29.982 -0.384 1
1 381 . 17 1 1 A 40 40 ARG N N 40 126.206 124.674 1.532 1
1 382 . 17 1 1 A 41 41 SER H H 41 8.643 8.404 0.239 1
1 383 . 17 1 1 A 41 41 SER HA H 41 4.221 4.224 -0.003 1
1 386 . 17 1 1 A 41 41 SER C C 41 175.499 176.555 -1.056 1
1 387 . 17 1 1 A 41 41 SER CA C 41 60.160 61.173 -1.013 1
1 388 . 17 1 1 A 41 41 SER CB C 41 62.847 63.176 -0.329 1
1 389 . 17 1 1 A 41 41 SER N N 41 109.970 114.343 -4.373 1
1 390 . 17 1 1 A 42 42 CYS H H 42 7.427 8.369 -0.942 1
1 391 . 17 1 1 A 42 42 CYS HA H 42 4.306 4.182 0.124 1
1 394 . 17 1 1 A 42 42 CYS C C 42 174.200 176.373 -2.173 1
1 395 . 17 1 1 A 42 42 CYS CA C 42 61.569 63.230 -1.661 1
1 396 . 17 1 1 A 42 42 CYS CB C 42 30.945 27.075 3.870 1
1 397 . 17 1 1 A 42 42 CYS N N 42 118.020 119.929 -1.909 1
1 398 . 17 1 1 A 43 43 PHE H H 43 7.257 7.967 -0.710 1
1 399 . 17 1 1 A 43 43 PHE HA H 43 4.122 4.186 -0.064 1
1 407 . 17 1 1 A 43 43 PHE C C 43 172.037 174.540 -2.503 1
1 408 . 17 1 1 A 43 43 PHE CA C 43 57.112 58.886 -1.774 1
1 409 . 17 1 1 A 43 43 PHE CB C 43 37.448 39.137 -1.689 1
1 415 . 17 1 1 A 43 43 PHE N N 43 122.965 121.111 1.854 1
1 416 . 17 1 1 A 44 44 ARG H H 44 7.110 8.266 -1.156 1
1 417 . 17 1 1 A 44 44 ARG HA H 44 4.821 4.738 0.083 1
1 424 . 17 1 1 A 44 44 ARG C C 44 174.097 174.900 -0.803 1
1 425 . 17 1 1 A 44 44 ARG CA C 44 53.323 53.341 -0.018 1
1 426 . 17 1 1 A 44 44 ARG CB C 44 34.911 34.262 0.649 1
1 429 . 17 1 1 A 44 44 ARG N N 44 123.199 125.561 -2.362 1
1 430 . 17 1 1 A 45 45 CYS H H 45 8.580 8.468 0.112 1
1 431 . 17 1 1 A 45 45 CYS HA H 45 4.055 4.468 -0.413 1
1 434 . 17 1 1 A 45 45 CYS C C 45 177.493 175.189 2.304 1
1 435 . 17 1 1 A 45 45 CYS CA C 45 59.878 59.679 0.199 1
1 436 . 17 1 1 A 45 45 CYS CB C 45 32.052 28.892 3.160 1
1 437 . 17 1 1 A 45 45 CYS N N 45 121.527 121.119 0.408 1
1 438 . 17 1 1 A 46 46 HIS H H 46 9.187 8.619 0.568 1
1 439 . 17 1 1 A 46 46 HIS HA H 46 4.184 4.618 -0.434 1
1 443 . 17 1 1 A 46 46 HIS C C 46 175.000 176.187 -1.187 1
1 444 . 17 1 1 A 46 46 HIS CA C 46 59.137 57.107 2.030 1
1 445 . 17 1 1 A 46 46 HIS CB C 46 29.560 30.393 -0.833 1
1 447 . 17 1 1 A 46 46 HIS N N 46 130.205 125.156 5.049 1
1 448 . 17 1 1 A 47 47 THR H H 47 8.848 7.705 1.143 1
1 449 . 17 1 1 A 47 47 THR HA H 47 4.134 4.462 -0.328 1
1 454 . 17 1 1 A 47 47 THR C C 47 174.926 175.882 -0.956 1
1 455 . 17 1 1 A 47 47 THR CA C 47 65.535 63.319 2.216 1
1 456 . 17 1 1 A 47 47 THR CB C 47 70.010 70.771 -0.761 1
1 458 . 17 1 1 A 47 47 THR N N 47 116.066 111.914 4.152 1
1 459 . 17 1 1 A 48 48 CYS H H 48 8.181 8.164 0.017 1
1 460 . 17 1 1 A 48 48 CYS HA H 48 4.821 4.588 0.233 1
1 463 . 17 1 1 A 48 48 CYS C C 48 176.004 174.625 1.379 1
1 464 . 17 1 1 A 48 48 CYS CA C 48 59.050 58.225 0.825 1
1 465 . 17 1 1 A 48 48 CYS CB C 48 32.944 29.569 3.375 1
1 466 . 17 1 1 A 48 48 CYS N N 48 119.626 116.124 3.502 1
1 467 . 17 1 1 A 49 49 GLU H H 49 8.081 8.039 0.042 1
1 468 . 17 1 1 A 49 49 GLU HA H 49 3.865 4.189 -0.324 1
1 473 . 17 1 1 A 49 49 GLU C C 49 174.137 174.693 -0.556 1
1 474 . 17 1 1 A 49 49 GLU CA C 49 58.732 57.438 1.294 1
1 475 . 17 1 1 A 49 49 GLU CB C 49 27.345 27.153 0.192 1
1 477 . 17 1 1 A 49 49 GLU N N 49 116.307 116.718 -0.411 1
1 478 . 17 1 1 A 50 50 ALA H H 50 8.498 7.806 0.692 1
1 479 . 17 1 1 A 50 50 ALA HA H 50 4.388 4.552 -0.164 1
1 483 . 17 1 1 A 50 50 ALA C C 50 178.362 176.827 1.535 1
1 484 . 17 1 1 A 50 50 ALA CA C 50 53.111 50.508 2.603 1
1 485 . 17 1 1 A 50 50 ALA CB C 50 20.334 20.457 -0.123 1
1 486 . 17 1 1 A 50 50 ALA N N 50 124.211 120.588 3.623 1
1 487 . 17 1 1 A 51 51 THR H H 51 8.470 8.401 0.069 1
1 488 . 17 1 1 A 51 51 THR HA H 51 3.811 3.876 -0.065 1
1 493 . 17 1 1 A 51 51 THR C C 51 173.931 173.788 0.143 1
1 494 . 17 1 1 A 51 51 THR CA C 51 64.345 63.741 0.604 1
1 495 . 17 1 1 A 51 51 THR CB C 51 69.428 68.163 1.265 1
1 497 . 17 1 1 A 51 51 THR N N 51 117.025 117.228 -0.203 1
1 498 . 17 1 1 A 52 52 LEU H H 52 7.421 8.077 -0.656 1
1 499 . 17 1 1 A 52 52 LEU HA H 52 4.439 4.418 0.021 1
1 509 . 17 1 1 A 52 52 LEU C C 52 175.390 175.626 -0.236 1
1 510 . 17 1 1 A 52 52 LEU CA C 52 53.728 54.291 -0.563 1
1 511 . 17 1 1 A 52 52 LEU CB C 52 42.020 40.536 1.484 1
1 515 . 17 1 1 A 52 52 LEU N N 52 125.339 127.697 -2.358 1
1 516 . 17 1 1 A 53 53 TRP H H 53 8.089 7.974 0.115 1
1 517 . 17 1 1 A 53 53 TRP HA H 53 5.148 4.766 0.382 1
1 526 . 17 1 1 A 53 53 TRP C C 53 173.534 176.852 -3.318 1
1 527 . 17 1 1 A 53 53 TRP CA C 53 54.345 56.716 -2.371 1
1 528 . 17 1 1 A 53 53 TRP CB C 53 30.134 29.256 0.878 1
1 534 . 17 1 1 A 53 53 TRP N N 53 120.731 126.651 -5.920 1
1 536 . 17 1 1 A 54 54 PRO HA H 54 4.553 4.664 -0.111 1
1 543 . 17 1 1 A 54 54 PRO CA C 54 64.882 64.196 0.686 1
1 544 . 17 1 1 A 54 54 PRO CB C 54 31.969 31.555 0.414 1
1 547 . 17 1 1 A 55 55 GLY HA2 H 55 4.330 4.211 0.119 1
1 548 . 17 1 1 A 55 55 GLY HA3 H 55 3.795 4.232 -0.437 1
1 549 . 17 1 1 A 55 55 GLY C C 55 175.195 174.193 1.002 1
1 550 . 17 1 1 A 55 55 GLY CA C 55 45.586 45.832 -0.246 1
1 551 . 17 1 1 A 56 56 GLY H H 56 8.653 7.686 0.967 1
1 552 . 17 1 1 A 56 56 GLY HA2 H 56 4.567 4.293 0.274 1
1 553 . 17 1 1 A 56 56 GLY HA3 H 56 3.380 4.373 -0.993 1
1 554 . 17 1 1 A 56 56 GLY C C 56 174.377 173.696 0.681 1
1 555 . 17 1 1 A 56 56 GLY CA C 56 45.237 45.889 -0.652 1
1 556 . 17 1 1 A 56 56 GLY N N 56 107.803 106.817 0.986 1
1 557 . 17 1 1 A 57 57 TYR H H 57 7.269 7.859 -0.590 1
1 558 . 17 1 1 A 57 57 TYR HA H 57 5.600 5.261 0.339 1
1 565 . 17 1 1 A 57 57 TYR C C 57 173.258 173.738 -0.480 1
1 566 . 17 1 1 A 57 57 TYR CA C 57 55.666 56.457 -0.791 1
1 567 . 17 1 1 A 57 57 TYR CB C 57 44.451 41.041 3.410 1
1 572 . 17 1 1 A 57 57 TYR N N 57 116.315 116.416 -0.101 1
1 573 . 17 1 1 A 58 58 GLU H H 58 8.948 9.013 -0.065 1
1 574 . 17 1 1 A 58 58 GLU HA H 58 4.546 4.596 -0.050 1
1 579 . 17 1 1 A 58 58 GLU C C 58 174.242 174.531 -0.289 1
1 580 . 17 1 1 A 58 58 GLU CA C 58 55.790 55.320 0.470 1
1 581 . 17 1 1 A 58 58 GLU CB C 58 35.177 34.363 0.814 1
1 583 . 17 1 1 A 58 58 GLU N N 58 117.931 119.012 -1.081 1
1 584 . 17 1 1 A 59 59 GLN H H 59 9.205 8.798 0.407 1
1 585 . 17 1 1 A 59 59 GLN HA H 59 4.760 4.943 -0.183 1
1 592 . 17 1 1 A 59 59 GLN C C 59 175.807 175.266 0.541 1
1 593 . 17 1 1 A 59 59 GLN CA C 59 53.904 54.131 -0.227 1
1 594 . 17 1 1 A 59 59 GLN CB C 59 29.530 29.677 -0.147 1
1 596 . 17 1 1 A 59 59 GLN N N 59 123.928 122.956 0.972 1
1 598 . 17 1 1 A 60 60 HIS H H 60 9.330 8.583 0.747 1
1 599 . 17 1 1 A 60 60 HIS HA H 60 4.945 4.458 0.487 1
1 604 . 17 1 1 A 60 60 HIS C C 60 175.428 175.642 -0.214 1
1 605 . 17 1 1 A 60 60 HIS CA C 60 54.556 55.161 -0.605 1
1 606 . 17 1 1 A 60 60 HIS CB C 60 32.329 31.040 1.289 1
1 609 . 17 1 1 A 60 60 HIS N N 60 131.634 127.260 4.374 1
1 610 . 17 1 1 A 61 61 PRO HA H 61 4.269 4.125 0.144 1
1 617 . 17 1 1 A 61 61 PRO CA C 61 64.043 65.218 -1.175 1
1 618 . 17 1 1 A 61 61 PRO CB C 61 31.752 31.838 -0.086 1
1 621 . 17 1 1 A 62 62 GLY H H 62 7.210 8.165 -0.955 1
1 622 . 17 1 1 A 62 62 GLY HA2 H 62 3.928 3.775 0.153 1
1 623 . 17 1 1 A 62 62 GLY HA3 H 62 3.666 3.895 -0.229 1
1 624 . 17 1 1 A 62 62 GLY CA C 62 46.610 47.097 -0.487 1
1 625 . 17 1 1 A 62 62 GLY N N 62 105.065 106.243 -1.178 1
1 626 . 17 1 1 A 63 63 ASP H H 63 8.237 8.043 0.194 1
1 627 . 17 1 1 A 63 63 ASP HA H 63 4.648 4.705 -0.057 1
1 630 . 17 1 1 A 63 63 ASP C C 63 177.303 176.269 1.034 1
1 631 . 17 1 1 A 63 63 ASP CA C 63 53.182 55.336 -2.154 1
1 632 . 17 1 1 A 63 63 ASP CB C 63 42.216 41.581 0.635 1
1 633 . 17 1 1 A 63 63 ASP N N 63 118.685 120.373 -1.688 1
1 634 . 17 1 1 A 64 64 GLY H H 64 8.315 7.632 0.683 1
1 635 . 17 1 1 A 64 64 GLY HA2 H 64 3.900 4.015 -0.115 1
1 636 . 17 1 1 A 64 64 GLY HA3 H 64 3.635 4.059 -0.424 1
1 637 . 17 1 1 A 64 64 GLY C C 64 174.457 173.868 0.589 1
1 638 . 17 1 1 A 64 64 GLY CA C 64 46.004 45.163 0.841 1
1 639 . 17 1 1 A 64 64 GLY N N 64 109.742 106.062 3.680 1
1 640 . 17 1 1 A 65 65 HIS H H 65 9.101 8.002 1.099 1
1 641 . 17 1 1 A 65 65 HIS HA H 65 4.675 4.832 -0.157 1
1 645 . 17 1 1 A 65 65 HIS C C 65 173.603 173.728 -0.125 1
1 646 . 17 1 1 A 65 65 HIS CA C 65 55.208 54.505 0.703 1
1 647 . 17 1 1 A 65 65 HIS CB C 65 30.321 33.840 -3.519 1
1 649 . 17 1 1 A 65 65 HIS N N 65 121.111 117.029 4.082 1
1 650 . 17 1 1 A 66 66 PHE H H 66 8.841 8.573 0.268 1
1 651 . 17 1 1 A 66 66 PHE HA H 66 5.005 5.346 -0.341 1
1 659 . 17 1 1 A 66 66 PHE C C 66 174.272 174.445 -0.173 1
1 660 . 17 1 1 A 66 66 PHE CA C 66 57.904 55.692 2.212 1
1 661 . 17 1 1 A 66 66 PHE CB C 66 40.990 41.300 -0.310 1
1 667 . 17 1 1 A 66 66 PHE N N 66 118.465 117.690 0.775 1
1 668 . 17 1 1 A 67 67 TYR H H 67 8.714 9.131 -0.417 1
1 669 . 17 1 1 A 67 67 TYR HA H 67 5.676 5.174 0.502 1
1 676 . 17 1 1 A 67 67 TYR C C 67 176.345 175.711 0.634 1
1 677 . 17 1 1 A 67 67 TYR CA C 67 56.829 56.406 0.423 1
1 678 . 17 1 1 A 67 67 TYR CB C 67 43.668 43.520 0.148 1
1 683 . 17 1 1 A 67 67 TYR N N 67 117.828 120.637 -2.809 1
1 684 . 17 1 1 A 68 68 CYS H H 68 9.524 8.669 0.855 1
1 685 . 17 1 1 A 68 68 CYS HA H 68 5.152 4.884 0.268 1
1 688 . 17 1 1 A 68 68 CYS C C 68 176.563 176.384 0.179 1
1 689 . 17 1 1 A 68 68 CYS CA C 68 58.468 58.098 0.370 1
1 690 . 17 1 1 A 68 68 CYS CB C 68 29.373 29.717 -0.344 1
1 691 . 17 1 1 A 68 68 CYS N N 68 120.631 120.322 0.309 1
1 692 . 17 1 1 A 69 69 LEU H H 69 7.630 8.736 -1.106 1
1 693 . 17 1 1 A 69 69 LEU HA H 69 3.952 4.384 -0.432 1
1 703 . 17 1 1 A 69 69 LEU C C 69 179.373 176.943 2.430 1
1 704 . 17 1 1 A 69 69 LEU CA C 69 58.080 55.476 2.604 1
1 705 . 17 1 1 A 69 69 LEU CB C 69 40.125 41.116 -0.991 1
1 709 . 17 1 1 A 69 69 LEU N N 69 117.279 122.759 -5.480 1
1 710 . 17 1 1 A 70 70 GLN H H 70 8.159 8.182 -0.023 1
1 711 . 17 1 1 A 70 70 GLN HA H 70 4.106 4.678 -0.572 1
1 718 . 17 1 1 A 70 70 GLN C C 70 177.094 177.021 0.073 1
1 719 . 17 1 1 A 70 70 GLN CA C 70 57.781 56.686 1.095 1
1 720 . 17 1 1 A 70 70 GLN CB C 70 28.537 31.227 -2.690 1
1 722 . 17 1 1 A 70 70 GLN N N 70 115.749 119.302 -3.553 1
1 724 . 17 1 1 A 71 71 HIS H H 71 7.651 7.648 0.003 1
1 725 . 17 1 1 A 71 71 HIS HA H 71 4.917 4.757 0.160 1
1 730 . 17 1 1 A 71 71 HIS C C 71 173.431 174.908 -1.477 1
1 731 . 17 1 1 A 71 71 HIS CA C 71 56.142 56.109 0.033 1
1 732 . 17 1 1 A 71 71 HIS CB C 71 33.010 31.520 1.490 1
1 735 . 17 1 1 A 71 71 HIS N N 71 116.846 115.195 1.651 1
1 736 . 17 1 1 A 72 72 LEU H H 72 7.154 7.542 -0.388 1
1 737 . 17 1 1 A 72 72 LEU HA H 72 3.772 4.130 -0.358 1
1 747 . 17 1 1 A 72 72 LEU C C 72 174.748 175.132 -0.384 1
1 748 . 17 1 1 A 72 72 LEU CA C 72 53.499 53.290 0.209 1
1 749 . 17 1 1 A 72 72 LEU CB C 72 42.729 43.101 -0.372 1
1 753 . 17 1 1 A 72 72 LEU N N 72 124.029 121.889 2.140 1
1 754 . 17 1 1 A 73 73 PRO HA H 73 4.145 4.440 -0.295 1
1 761 . 17 1 1 A 73 73 PRO C C 73 175.785 175.342 0.443 1
1 762 . 17 1 1 A 73 73 PRO CA C 73 63.050 62.117 0.933 1
1 763 . 17 1 1 A 73 73 PRO CB C 73 32.055 32.546 -0.491 1
1 766 . 17 1 1 A 74 74 GLN H H 74 8.359 8.429 -0.070 1
1 767 . 17 1 1 A 74 74 GLN HA H 74 4.386 5.211 -0.825 1
1 774 . 17 1 1 A 74 74 GLN C C 74 176.731 174.506 2.225 1
1 775 . 17 1 1 A 74 74 GLN CA C 74 55.526 54.661 0.865 1
1 776 . 17 1 1 A 74 74 GLN CB C 74 29.817 31.910 -2.093 1
1 778 . 17 1 1 A 74 74 GLN N N 74 120.467 118.848 1.619 1
1 780 . 17 1 1 A 75 75 THR H H 75 8.368 9.176 -0.808 1
1 781 . 17 1 1 A 75 75 THR HA H 75 4.390 4.752 -0.362 1
1 786 . 17 1 1 A 75 75 THR C C 75 174.257 173.514 0.743 1
1 787 . 17 1 1 A 75 75 THR CA C 75 61.993 61.150 0.843 1
1 788 . 17 1 1 A 75 75 THR CB C 75 69.991 70.406 -0.415 1
1 790 . 17 1 1 A 75 75 THR N N 75 116.318 120.963 -4.645 1
1 791 . 17 1 1 A 76 76 ASP H H 76 8.528 8.797 -0.269 1
1 792 . 17 1 1 A 76 76 ASP HA H 76 4.700 5.047 -0.347 1
1 795 . 17 1 1 A 76 76 ASP C C 76 176.200 174.765 1.435 1
1 796 . 17 1 1 A 76 76 ASP CA C 76 54.363 53.049 1.314 1
1 797 . 17 1 1 A 76 76 ASP CB C 76 41.362 40.210 1.152 1
1 798 . 17 1 1 A 76 76 ASP N N 76 123.204 125.030 -1.826 1
1 799 . 17 1 1 A 77 77 SER H H 77 8.346 8.586 -0.240 1
1 800 . 17 1 1 A 77 77 SER HA H 77 4.497 4.760 -0.263 1
1 803 . 17 1 1 A 77 77 SER C C 77 174.724 174.491 0.233 1
1 804 . 17 1 1 A 77 77 SER CA C 77 58.451 58.040 0.411 1
1 805 . 17 1 1 A 77 77 SER CB C 77 64.101 62.255 1.846 1
1 806 . 17 1 1 A 77 77 SER N N 77 116.515 120.912 -4.397 1
1 807 . 17 1 1 A 78 78 GLY H H 78 8.330 8.757 -0.427 1
1 808 . 17 1 1 A 78 78 GLY HA2 H 78 4.135 4.021 0.114 1
1 809 . 17 1 1 A 78 78 GLY HA3 H 78 4.135 4.021 0.114 1
1 810 . 17 1 1 A 78 78 GLY C C 78 171.883 173.029 -1.146 1
1 811 . 17 1 1 A 78 78 GLY CA C 78 44.745 44.237 0.508 1
1 812 . 17 1 1 A 78 78 GLY N N 78 110.837 112.928 -2.091 1
1 813 . 17 1 1 A 79 79 PRO HA H 79 4.501 4.628 -0.127 1
1 820 . 17 1 1 A 79 79 PRO C C 79 177.463 176.763 0.700 1
1 821 . 17 1 1 A 79 79 PRO CA C 79 63.332 62.814 0.518 1
1 822 . 17 1 1 A 79 79 PRO CB C 79 32.229 31.711 0.518 1
1 825 . 17 1 1 A 80 80 SER H H 80 8.531 8.884 -0.353 1
1 826 . 17 1 1 A 80 80 SER HA H 80 4.521 4.299 0.222 1
1 829 . 17 1 1 A 80 80 SER C C 80 174.760 174.639 0.121 1
1 830 . 17 1 1 A 80 80 SER CA C 80 58.398 61.438 -3.040 1
1 831 . 17 1 1 A 80 80 SER CB C 80 63.978 63.558 0.420 1
1 832 . 17 1 1 A 80 80 SER N N 80 116.479 119.101 -2.622 1
1 833 . 17 1 1 A 81 81 SER H H 81 8.358 8.180 0.178 1
1 834 . 17 1 1 A 81 81 SER HA H 81 4.530 4.059 0.471 1
1 837 . 17 1 1 A 81 81 SER C C 81 173.982 173.624 0.358 1
1 838 . 17 1 1 A 81 81 SER CA C 81 58.416 59.226 -0.810 1
1 839 . 17 1 1 A 81 81 SER CB C 81 64.082 62.138 1.944 1
1 840 . 17 1 1 A 81 81 SER N N 81 117.964 115.278 2.686 1
1 1 . 18 1 1 A 9 9 HIS HA H 9 4.627 4.703 -0.076 1
1 5 . 18 1 1 A 9 9 HIS C C 9 175.239 175.711 -0.472 1
1 6 . 18 1 1 A 9 9 HIS CA C 9 56.347 56.030 0.317 1
1 7 . 18 1 1 A 9 9 HIS CB C 9 30.681 31.030 -0.349 1
1 9 . 18 1 1 A 10 10 GLN H H 10 8.313 7.338 0.975 1
1 10 . 18 1 1 A 10 10 GLN HA H 10 4.323 4.243 0.080 1
1 17 . 18 1 1 A 10 10 GLN C C 10 175.703 176.236 -0.533 1
1 18 . 18 1 1 A 10 10 GLN CA C 10 55.875 56.899 -1.024 1
1 19 . 18 1 1 A 10 10 GLN CB C 10 29.726 28.894 0.832 1
1 21 . 18 1 1 A 10 10 GLN N N 10 122.031 120.996 1.035 1
1 23 . 18 1 1 A 11 11 GLU H H 11 8.546 8.545 0.001 1
1 24 . 18 1 1 A 11 11 GLU HA H 11 4.275 4.420 -0.145 1
1 29 . 18 1 1 A 11 11 GLU C C 11 176.303 176.612 -0.309 1
1 30 . 18 1 1 A 11 11 GLU CA C 11 56.472 56.851 -0.379 1
1 31 . 18 1 1 A 11 11 GLU CB C 11 30.303 30.160 0.143 1
1 33 . 18 1 1 A 11 11 GLU N N 11 122.648 125.783 -3.135 1
1 34 . 18 1 1 A 12 12 ALA H H 12 8.403 8.627 -0.224 1
1 35 . 18 1 1 A 12 12 ALA HA H 12 4.288 4.153 0.135 1
1 39 . 18 1 1 A 12 12 ALA C C 12 178.231 178.513 -0.282 1
1 40 . 18 1 1 A 12 12 ALA CA C 12 52.759 52.973 -0.214 1
1 41 . 18 1 1 A 12 12 ALA CB C 12 19.237 19.542 -0.305 1
1 42 . 18 1 1 A 12 12 ALA N N 12 125.516 128.426 -2.910 1
1 43 . 18 1 1 A 13 13 GLY H H 13 8.490 8.646 -0.156 1
1 44 . 18 1 1 A 13 13 GLY HA2 H 13 3.994 3.859 0.135 1
1 45 . 18 1 1 A 13 13 GLY HA3 H 13 3.890 3.868 0.022 1
1 46 . 18 1 1 A 13 13 GLY C C 13 174.176 175.684 -1.508 1
1 47 . 18 1 1 A 13 13 GLY CA C 13 45.094 46.798 -1.704 1
1 48 . 18 1 1 A 13 13 GLY N N 13 108.839 109.853 -1.014 1
1 49 . 18 1 1 A 14 14 ALA H H 14 8.172 7.596 0.576 1
1 50 . 18 1 1 A 14 14 ALA HA H 14 4.246 4.397 -0.151 1
1 54 . 18 1 1 A 14 14 ALA C C 14 178.304 177.710 0.594 1
1 55 . 18 1 1 A 14 14 ALA CA C 14 52.988 52.473 0.515 1
1 56 . 18 1 1 A 14 14 ALA CB C 14 19.228 20.902 -1.674 1
1 57 . 18 1 1 A 14 14 ALA N N 14 123.459 123.037 0.422 1
1 58 . 18 1 1 A 15 15 GLY H H 15 8.329 8.002 0.327 1
1 59 . 18 1 1 A 15 15 GLY HA2 H 15 3.578 4.013 -0.435 1
1 60 . 18 1 1 A 15 15 GLY HA3 H 15 3.578 4.034 -0.456 1
1 61 . 18 1 1 A 15 15 GLY C C 15 173.577 174.217 -0.640 1
1 62 . 18 1 1 A 15 15 GLY CA C 15 45.128 45.386 -0.258 1
1 63 . 18 1 1 A 15 15 GLY N N 15 107.276 106.404 0.872 1
1 64 . 18 1 1 A 16 16 ASP H H 16 7.898 8.004 -0.106 1
1 65 . 18 1 1 A 16 16 ASP HA H 16 4.547 4.562 -0.015 1
1 68 . 18 1 1 A 16 16 ASP C C 16 174.898 174.261 0.637 1
1 69 . 18 1 1 A 16 16 ASP CA C 16 54.344 53.403 0.941 1
1 70 . 18 1 1 A 16 16 ASP CB C 16 41.534 41.079 0.455 1
1 71 . 18 1 1 A 16 16 ASP N N 16 118.642 119.267 -0.625 1
1 72 . 18 1 1 A 17 17 LEU H H 17 7.822 7.389 0.433 1
1 73 . 18 1 1 A 17 17 LEU HA H 17 4.446 4.851 -0.405 1
1 83 . 18 1 1 A 17 17 LEU C C 17 175.902 175.728 0.174 1
1 84 . 18 1 1 A 17 17 LEU CA C 17 53.128 52.967 0.161 1
1 85 . 18 1 1 A 17 17 LEU CB C 17 44.656 45.203 -0.547 1
1 89 . 18 1 1 A 17 17 LEU N N 17 119.654 120.612 -0.958 1
1 90 . 18 1 1 A 18 18 CYS H H 18 8.080 8.282 -0.202 1
1 91 . 18 1 1 A 18 18 CYS HA H 18 4.248 4.059 0.189 1
1 94 . 18 1 1 A 18 18 CYS C C 18 177.466 174.871 2.595 1
1 95 . 18 1 1 A 18 18 CYS CA C 18 58.398 59.361 -0.963 1
1 96 . 18 1 1 A 18 18 CYS CB C 18 31.990 28.372 3.618 1
1 97 . 18 1 1 A 18 18 CYS N N 18 123.013 124.088 -1.075 1
1 98 . 18 1 1 A 19 19 ALA H H 19 9.211 8.430 0.781 1
1 99 . 18 1 1 A 19 19 ALA HA H 19 4.172 4.055 0.117 1
1 103 . 18 1 1 A 19 19 ALA C C 19 177.724 179.558 -1.834 1
1 104 . 18 1 1 A 19 19 ALA CA C 19 54.327 52.996 1.331 1
1 105 . 18 1 1 A 19 19 ALA CB C 19 18.662 19.204 -0.542 1
1 106 . 18 1 1 A 19 19 ALA N N 19 132.258 127.021 5.237 1
1 107 . 18 1 1 A 20 20 LEU H H 20 8.911 7.644 1.267 1
1 108 . 18 1 1 A 20 20 LEU HA H 20 4.736 3.953 0.783 1
1 118 . 18 1 1 A 20 20 LEU C C 20 177.779 179.003 -1.224 1
1 119 . 18 1 1 A 20 20 LEU CA C 20 56.935 58.121 -1.186 1
1 120 . 18 1 1 A 20 20 LEU CB C 20 43.750 41.961 1.789 1
1 124 . 18 1 1 A 20 20 LEU N N 20 119.770 119.737 0.033 1
1 125 . 18 1 1 A 21 21 CYS H H 21 8.159 7.307 0.852 1
1 126 . 18 1 1 A 21 21 CYS HA H 21 4.962 4.479 0.483 1
1 129 . 18 1 1 A 21 21 CYS C C 21 176.947 175.558 1.389 1
1 130 . 18 1 1 A 21 21 CYS CA C 21 59.137 59.989 -0.852 1
1 131 . 18 1 1 A 21 21 CYS CB C 21 31.728 28.922 2.806 1
1 132 . 18 1 1 A 21 21 CYS N N 21 116.713 113.742 2.971 1
1 133 . 18 1 1 A 22 22 GLY H H 22 8.088 8.250 -0.162 1
1 134 . 18 1 1 A 22 22 GLY HA2 H 22 4.160 3.882 0.278 1
1 135 . 18 1 1 A 22 22 GLY HA3 H 22 3.865 3.915 -0.050 1
1 136 . 18 1 1 A 22 22 GLY C C 22 173.190 174.264 -1.074 1
1 137 . 18 1 1 A 22 22 GLY CA C 22 46.556 45.599 0.957 1
1 138 . 18 1 1 A 22 22 GLY N N 22 112.000 110.378 1.622 1
1 139 . 18 1 1 A 23 23 GLU H H 23 8.378 7.460 0.918 1
1 140 . 18 1 1 A 23 23 GLU HA H 23 4.712 4.748 -0.036 1
1 145 . 18 1 1 A 23 23 GLU C C 23 176.434 175.588 0.846 1
1 146 . 18 1 1 A 23 23 GLU CA C 23 55.014 55.342 -0.328 1
1 147 . 18 1 1 A 23 23 GLU CB C 23 31.557 31.803 -0.246 1
1 149 . 18 1 1 A 23 23 GLU N N 23 118.877 119.086 -0.209 1
1 150 . 18 1 1 A 24 24 HIS H H 24 8.666 8.876 -0.210 1
1 151 . 18 1 1 A 24 24 HIS HA H 24 4.333 4.614 -0.281 1
1 156 . 18 1 1 A 24 24 HIS C C 24 175.281 173.961 1.320 1
1 157 . 18 1 1 A 24 24 HIS CA C 24 58.186 57.730 0.456 1
1 158 . 18 1 1 A 24 24 HIS CB C 24 30.099 30.769 -0.670 1
1 161 . 18 1 1 A 24 24 HIS N N 24 118.732 121.459 -2.727 1
1 162 . 18 1 1 A 25 25 LEU H H 25 7.928 7.739 0.189 1
1 163 . 18 1 1 A 25 25 LEU HA H 25 4.174 5.273 -1.099 1
1 173 . 18 1 1 A 25 25 LEU C C 25 175.186 175.023 0.163 1
1 174 . 18 1 1 A 25 25 LEU CA C 25 53.992 53.888 0.104 1
1 175 . 18 1 1 A 25 25 LEU CB C 25 43.742 44.591 -0.849 1
1 179 . 18 1 1 A 25 25 LEU N N 25 125.590 127.260 -1.670 1
1 180 . 18 1 1 A 26 26 TYR H H 26 8.768 8.994 -0.226 1
1 181 . 18 1 1 A 26 26 TYR HA H 26 4.651 4.987 -0.336 1
1 188 . 18 1 1 A 26 26 TYR C C 26 177.267 176.501 0.766 1
1 189 . 18 1 1 A 26 26 TYR CA C 26 57.270 56.319 0.951 1
1 190 . 18 1 1 A 26 26 TYR CB C 26 38.210 40.824 -2.614 1
1 195 . 18 1 1 A 26 26 TYR N N 26 123.119 124.343 -1.224 1
1 196 . 18 1 1 A 27 27 VAL H H 27 8.086 8.184 -0.098 1
1 197 . 18 1 1 A 27 27 VAL HA H 27 3.809 3.616 0.193 1
1 205 . 18 1 1 A 27 27 VAL C C 27 176.958 177.315 -0.357 1
1 206 . 18 1 1 A 27 27 VAL CA C 27 64.551 64.911 -0.360 1
1 207 . 18 1 1 A 27 27 VAL CB C 27 31.788 31.494 0.294 1
1 210 . 18 1 1 A 27 27 VAL N N 27 121.055 125.807 -4.752 1
1 211 . 18 1 1 A 28 28 LEU H H 28 7.665 7.403 0.262 1
1 212 . 18 1 1 A 28 28 LEU HA H 28 4.285 4.226 0.059 1
1 222 . 18 1 1 A 28 28 LEU C C 28 177.710 177.852 -0.142 1
1 223 . 18 1 1 A 28 28 LEU CA C 28 56.297 56.611 -0.314 1
1 224 . 18 1 1 A 28 28 LEU CB C 28 41.998 43.527 -1.529 1
1 228 . 18 1 1 A 28 28 LEU N N 28 119.062 120.503 -1.441 1
1 229 . 18 1 1 A 29 29 GLU H H 29 7.961 8.066 -0.105 1
1 230 . 18 1 1 A 29 29 GLU HA H 29 4.479 4.515 -0.036 1
1 235 . 18 1 1 A 29 29 GLU C C 29 175.755 174.993 0.762 1
1 236 . 18 1 1 A 29 29 GLU CA C 29 56.248 56.242 0.006 1
1 237 . 18 1 1 A 29 29 GLU CB C 29 30.550 27.911 2.639 1
1 239 . 18 1 1 A 29 29 GLU N N 29 117.067 116.692 0.375 1
1 240 . 18 1 1 A 30 30 ARG H H 30 7.724 8.400 -0.676 1
1 241 . 18 1 1 A 30 30 ARG HA H 30 4.688 5.012 -0.324 1
1 248 . 18 1 1 A 30 30 ARG C C 30 174.546 174.116 0.430 1
1 249 . 18 1 1 A 30 30 ARG CA C 30 55.948 54.956 0.992 1
1 250 . 18 1 1 A 30 30 ARG CB C 30 33.034 33.582 -0.548 1
1 253 . 18 1 1 A 30 30 ARG N N 30 120.305 117.816 2.489 1
1 254 . 18 1 1 A 31 31 LEU H H 31 8.970 9.362 -0.392 1
1 255 . 18 1 1 A 31 31 LEU HA H 31 4.635 4.782 -0.147 1
1 265 . 18 1 1 A 31 31 LEU C C 31 174.536 175.220 -0.684 1
1 266 . 18 1 1 A 31 31 LEU CA C 31 54.168 53.687 0.481 1
1 267 . 18 1 1 A 31 31 LEU CB C 31 45.021 42.669 2.352 1
1 271 . 18 1 1 A 31 31 LEU N N 31 124.553 124.951 -0.398 1
1 272 . 18 1 1 A 32 32 CYS H H 32 8.558 8.965 -0.407 1
1 273 . 18 1 1 A 32 32 CYS HA H 32 4.954 4.114 0.840 1
1 276 . 18 1 1 A 32 32 CYS C C 32 174.418 173.757 0.661 1
1 277 . 18 1 1 A 32 32 CYS CA C 32 56.874 58.675 -1.801 1
1 278 . 18 1 1 A 32 32 CYS CB C 32 28.054 27.757 0.297 1
1 279 . 18 1 1 A 32 32 CYS N N 32 124.126 124.931 -0.805 1
1 280 . 18 1 1 A 33 33 VAL H H 33 8.893 9.086 -0.193 1
1 281 . 18 1 1 A 33 33 VAL HA H 33 4.103 4.450 -0.347 1
1 289 . 18 1 1 A 33 33 VAL C C 33 175.525 175.911 -0.386 1
1 290 . 18 1 1 A 33 33 VAL CA C 33 61.551 61.250 0.301 1
1 291 . 18 1 1 A 33 33 VAL CB C 33 34.027 34.275 -0.248 1
1 294 . 18 1 1 A 33 33 VAL N N 33 129.037 128.011 1.026 1
1 295 . 18 1 1 A 34 34 ASN HA H 34 4.389 4.478 -0.089 1
1 300 . 18 1 1 A 34 34 ASN C C 34 174.946 175.322 -0.376 1
1 301 . 18 1 1 A 34 34 ASN CA C 34 53.922 54.557 -0.635 1
1 302 . 18 1 1 A 34 34 ASN CB C 34 37.332 37.261 0.071 1
1 304 . 18 1 1 A 35 35 GLY H H 35 7.896 8.207 -0.311 1
1 305 . 18 1 1 A 35 35 GLY HA2 H 35 3.891 3.697 0.194 1
1 306 . 18 1 1 A 35 35 GLY HA3 H 35 3.180 3.717 -0.537 1
1 307 . 18 1 1 A 35 35 GLY C C 35 172.892 174.229 -1.337 1
1 308 . 18 1 1 A 35 35 GLY CA C 35 45.290 44.986 0.304 1
1 309 . 18 1 1 A 35 35 GLY N N 35 102.630 104.882 -2.252 1
1 310 . 18 1 1 A 36 36 HIS H H 36 7.694 7.866 -0.172 1
1 311 . 18 1 1 A 36 36 HIS HA H 36 4.433 4.516 -0.083 1
1 315 . 18 1 1 A 36 36 HIS C C 36 172.910 174.682 -1.772 1
1 316 . 18 1 1 A 36 36 HIS CA C 36 54.433 56.063 -1.630 1
1 317 . 18 1 1 A 36 36 HIS CB C 36 32.464 30.822 1.642 1
1 319 . 18 1 1 A 36 36 HIS N N 36 119.651 118.713 0.938 1
1 320 . 18 1 1 A 37 37 PHE H H 37 8.502 9.154 -0.652 1
1 321 . 18 1 1 A 37 37 PHE HA H 37 5.314 5.569 -0.255 1
1 329 . 18 1 1 A 37 37 PHE C C 37 174.239 174.550 -0.311 1
1 330 . 18 1 1 A 37 37 PHE CA C 37 56.424 56.422 0.002 1
1 331 . 18 1 1 A 37 37 PHE CB C 37 41.572 41.889 -0.317 1
1 337 . 18 1 1 A 37 37 PHE N N 37 119.583 121.151 -1.568 1
1 338 . 18 1 1 A 38 38 PHE H H 38 8.664 8.854 -0.190 1
1 339 . 18 1 1 A 38 38 PHE HA H 38 5.866 4.846 1.020 1
1 347 . 18 1 1 A 38 38 PHE C C 38 177.496 175.173 2.323 1
1 348 . 18 1 1 A 38 38 PHE CA C 38 55.296 56.601 -1.305 1
1 349 . 18 1 1 A 38 38 PHE CB C 38 44.392 43.065 1.327 1
1 355 . 18 1 1 A 38 38 PHE N N 38 116.719 119.324 -2.605 1
1 356 . 18 1 1 A 39 39 HIS H H 39 8.854 8.768 0.086 1
1 357 . 18 1 1 A 39 39 HIS HA H 39 4.675 4.690 -0.015 1
1 362 . 18 1 1 A 39 39 HIS C C 39 178.476 176.639 1.837 1
1 363 . 18 1 1 A 39 39 HIS CA C 39 59.297 56.358 2.939 1
1 364 . 18 1 1 A 39 39 HIS CB C 39 30.980 30.545 0.435 1
1 367 . 18 1 1 A 39 39 HIS N N 39 120.015 121.147 -1.132 1
1 368 . 18 1 1 A 40 40 ARG H H 40 9.256 9.309 -0.053 1
1 369 . 18 1 1 A 40 40 ARG HA H 40 3.965 4.096 -0.131 1
1 376 . 18 1 1 A 40 40 ARG C C 40 179.459 177.455 2.004 1
1 377 . 18 1 1 A 40 40 ARG CA C 40 60.547 58.740 1.807 1
1 378 . 18 1 1 A 40 40 ARG CB C 40 29.598 30.044 -0.446 1
1 381 . 18 1 1 A 40 40 ARG N N 40 126.206 122.996 3.210 1
1 382 . 18 1 1 A 41 41 SER H H 41 8.643 7.866 0.777 1
1 383 . 18 1 1 A 41 41 SER HA H 41 4.221 4.542 -0.321 1
1 386 . 18 1 1 A 41 41 SER C C 41 175.499 176.721 -1.222 1
1 387 . 18 1 1 A 41 41 SER CA C 41 60.160 60.870 -0.710 1
1 388 . 18 1 1 A 41 41 SER CB C 41 62.847 63.704 -0.857 1
1 389 . 18 1 1 A 41 41 SER N N 41 109.970 114.920 -4.950 1
1 390 . 18 1 1 A 42 42 CYS H H 42 7.427 8.290 -0.863 1
1 391 . 18 1 1 A 42 42 CYS HA H 42 4.306 4.210 0.096 1
1 394 . 18 1 1 A 42 42 CYS C C 42 174.200 175.715 -1.515 1
1 395 . 18 1 1 A 42 42 CYS CA C 42 61.569 63.388 -1.819 1
1 396 . 18 1 1 A 42 42 CYS CB C 42 30.945 26.907 4.038 1
1 397 . 18 1 1 A 42 42 CYS N N 42 118.020 119.612 -1.592 1
1 398 . 18 1 1 A 43 43 PHE H H 43 7.257 7.562 -0.305 1
1 399 . 18 1 1 A 43 43 PHE HA H 43 4.122 4.428 -0.306 1
1 407 . 18 1 1 A 43 43 PHE C C 43 172.037 174.176 -2.139 1
1 408 . 18 1 1 A 43 43 PHE CA C 43 57.112 57.475 -0.363 1
1 409 . 18 1 1 A 43 43 PHE CB C 43 37.448 38.766 -1.318 1
1 415 . 18 1 1 A 43 43 PHE N N 43 122.965 121.818 1.147 1
1 416 . 18 1 1 A 44 44 ARG H H 44 7.110 8.284 -1.174 1
1 417 . 18 1 1 A 44 44 ARG HA H 44 4.821 4.755 0.066 1
1 424 . 18 1 1 A 44 44 ARG C C 44 174.097 174.117 -0.020 1
1 425 . 18 1 1 A 44 44 ARG CA C 44 53.323 54.249 -0.926 1
1 426 . 18 1 1 A 44 44 ARG CB C 44 34.911 33.170 1.741 1
1 429 . 18 1 1 A 44 44 ARG N N 44 123.199 123.360 -0.161 1
1 430 . 18 1 1 A 45 45 CYS H H 45 8.580 8.691 -0.111 1
1 431 . 18 1 1 A 45 45 CYS HA H 45 4.055 4.420 -0.365 1
1 434 . 18 1 1 A 45 45 CYS C C 45 177.493 175.256 2.237 1
1 435 . 18 1 1 A 45 45 CYS CA C 45 59.878 59.812 0.066 1
1 436 . 18 1 1 A 45 45 CYS CB C 45 32.052 28.847 3.205 1
1 437 . 18 1 1 A 45 45 CYS N N 45 121.527 120.214 1.313 1
1 438 . 18 1 1 A 46 46 HIS H H 46 9.187 8.591 0.596 1
1 439 . 18 1 1 A 46 46 HIS HA H 46 4.184 4.588 -0.404 1
1 443 . 18 1 1 A 46 46 HIS C C 46 175.000 176.434 -1.434 1
1 444 . 18 1 1 A 46 46 HIS CA C 46 59.137 57.285 1.852 1
1 445 . 18 1 1 A 46 46 HIS CB C 46 29.560 30.565 -1.005 1
1 447 . 18 1 1 A 46 46 HIS N N 46 130.205 125.218 4.987 1
1 448 . 18 1 1 A 47 47 THR H H 47 8.848 7.575 1.273 1
1 449 . 18 1 1 A 47 47 THR HA H 47 4.134 4.431 -0.297 1
1 454 . 18 1 1 A 47 47 THR C C 47 174.926 175.886 -0.960 1
1 455 . 18 1 1 A 47 47 THR CA C 47 65.535 63.216 2.319 1
1 456 . 18 1 1 A 47 47 THR CB C 47 70.010 70.730 -0.720 1
1 458 . 18 1 1 A 47 47 THR N N 47 116.066 111.653 4.413 1
1 459 . 18 1 1 A 48 48 CYS H H 48 8.181 8.152 0.029 1
1 460 . 18 1 1 A 48 48 CYS HA H 48 4.821 4.603 0.218 1
1 463 . 18 1 1 A 48 48 CYS C C 48 176.004 174.739 1.265 1
1 464 . 18 1 1 A 48 48 CYS CA C 48 59.050 58.239 0.811 1
1 465 . 18 1 1 A 48 48 CYS CB C 48 32.944 29.549 3.395 1
1 466 . 18 1 1 A 48 48 CYS N N 48 119.626 116.514 3.112 1
1 467 . 18 1 1 A 49 49 GLU H H 49 8.081 8.021 0.060 1
1 468 . 18 1 1 A 49 49 GLU HA H 49 3.865 4.242 -0.377 1
1 473 . 18 1 1 A 49 49 GLU C C 49 174.137 175.148 -1.011 1
1 474 . 18 1 1 A 49 49 GLU CA C 49 58.732 57.571 1.161 1
1 475 . 18 1 1 A 49 49 GLU CB C 49 27.345 27.439 -0.094 1
1 477 . 18 1 1 A 49 49 GLU N N 49 116.307 116.450 -0.143 1
1 478 . 18 1 1 A 50 50 ALA H H 50 8.498 7.668 0.830 1
1 479 . 18 1 1 A 50 50 ALA HA H 50 4.388 4.426 -0.038 1
1 483 . 18 1 1 A 50 50 ALA C C 50 178.362 177.074 1.288 1
1 484 . 18 1 1 A 50 50 ALA CA C 50 53.111 51.447 1.664 1
1 485 . 18 1 1 A 50 50 ALA CB C 50 20.334 19.901 0.433 1
1 486 . 18 1 1 A 50 50 ALA N N 50 124.211 120.702 3.509 1
1 487 . 18 1 1 A 51 51 THR H H 51 8.470 8.513 -0.043 1
1 488 . 18 1 1 A 51 51 THR HA H 51 3.811 4.009 -0.198 1
1 493 . 18 1 1 A 51 51 THR C C 51 173.931 173.827 0.104 1
1 494 . 18 1 1 A 51 51 THR CA C 51 64.345 64.046 0.299 1
1 495 . 18 1 1 A 51 51 THR CB C 51 69.428 68.544 0.884 1
1 497 . 18 1 1 A 51 51 THR N N 51 117.025 117.539 -0.514 1
1 498 . 18 1 1 A 52 52 LEU H H 52 7.421 8.330 -0.909 1
1 499 . 18 1 1 A 52 52 LEU HA H 52 4.439 4.605 -0.166 1
1 509 . 18 1 1 A 52 52 LEU C C 52 175.390 175.673 -0.283 1
1 510 . 18 1 1 A 52 52 LEU CA C 52 53.728 54.029 -0.301 1
1 511 . 18 1 1 A 52 52 LEU CB C 52 42.020 41.304 0.716 1
1 515 . 18 1 1 A 52 52 LEU N N 52 125.339 127.889 -2.550 1
1 516 . 18 1 1 A 53 53 TRP H H 53 8.089 8.575 -0.486 1
1 517 . 18 1 1 A 53 53 TRP HA H 53 5.148 4.676 0.472 1
1 526 . 18 1 1 A 53 53 TRP C C 53 173.534 176.698 -3.164 1
1 527 . 18 1 1 A 53 53 TRP CA C 53 54.345 56.550 -2.205 1
1 528 . 18 1 1 A 53 53 TRP CB C 53 30.134 29.284 0.850 1
1 534 . 18 1 1 A 53 53 TRP N N 53 120.731 126.423 -5.692 1
1 536 . 18 1 1 A 54 54 PRO HA H 54 4.553 4.537 0.016 1
1 543 . 18 1 1 A 54 54 PRO CA C 54 64.882 64.094 0.788 1
1 544 . 18 1 1 A 54 54 PRO CB C 54 31.969 31.471 0.498 1
1 547 . 18 1 1 A 55 55 GLY HA2 H 55 4.330 4.142 0.188 1
1 548 . 18 1 1 A 55 55 GLY HA3 H 55 3.795 4.172 -0.377 1
1 549 . 18 1 1 A 55 55 GLY C C 55 175.195 173.879 1.316 1
1 550 . 18 1 1 A 55 55 GLY CA C 55 45.586 45.803 -0.217 1
1 551 . 18 1 1 A 56 56 GLY H H 56 8.653 7.442 1.211 1
1 552 . 18 1 1 A 56 56 GLY HA2 H 56 4.567 4.277 0.290 1
1 553 . 18 1 1 A 56 56 GLY HA3 H 56 3.380 4.333 -0.953 1
1 554 . 18 1 1 A 56 56 GLY C C 56 174.377 172.785 1.592 1
1 555 . 18 1 1 A 56 56 GLY CA C 56 45.237 45.966 -0.729 1
1 556 . 18 1 1 A 56 56 GLY N N 56 107.803 106.973 0.830 1
1 557 . 18 1 1 A 57 57 TYR H H 57 7.269 8.048 -0.779 1
1 558 . 18 1 1 A 57 57 TYR HA H 57 5.600 5.279 0.321 1
1 565 . 18 1 1 A 57 57 TYR C C 57 173.258 173.718 -0.460 1
1 566 . 18 1 1 A 57 57 TYR CA C 57 55.666 56.481 -0.815 1
1 567 . 18 1 1 A 57 57 TYR CB C 57 44.451 41.004 3.447 1
1 572 . 18 1 1 A 57 57 TYR N N 57 116.315 116.202 0.113 1
1 573 . 18 1 1 A 58 58 GLU H H 58 8.948 8.976 -0.028 1
1 574 . 18 1 1 A 58 58 GLU HA H 58 4.546 4.664 -0.118 1
1 579 . 18 1 1 A 58 58 GLU C C 58 174.242 174.339 -0.097 1
1 580 . 18 1 1 A 58 58 GLU CA C 58 55.790 55.283 0.507 1
1 581 . 18 1 1 A 58 58 GLU CB C 58 35.177 34.035 1.142 1
1 583 . 18 1 1 A 58 58 GLU N N 58 117.931 119.220 -1.289 1
1 584 . 18 1 1 A 59 59 GLN H H 59 9.205 8.701 0.504 1
1 585 . 18 1 1 A 59 59 GLN HA H 59 4.760 4.895 -0.135 1
1 592 . 18 1 1 A 59 59 GLN C C 59 175.807 175.241 0.566 1
1 593 . 18 1 1 A 59 59 GLN CA C 59 53.904 54.147 -0.243 1
1 594 . 18 1 1 A 59 59 GLN CB C 59 29.530 30.127 -0.597 1
1 596 . 18 1 1 A 59 59 GLN N N 59 123.928 123.275 0.653 1
1 598 . 18 1 1 A 60 60 HIS H H 60 9.330 8.550 0.780 1
1 599 . 18 1 1 A 60 60 HIS HA H 60 4.945 4.717 0.228 1
1 604 . 18 1 1 A 60 60 HIS C C 60 175.428 175.473 -0.045 1
1 605 . 18 1 1 A 60 60 HIS CA C 60 54.556 55.010 -0.454 1
1 606 . 18 1 1 A 60 60 HIS CB C 60 32.329 31.293 1.036 1
1 609 . 18 1 1 A 60 60 HIS N N 60 131.634 127.041 4.593 1
1 610 . 18 1 1 A 61 61 PRO HA H 61 4.269 4.118 0.151 1
1 617 . 18 1 1 A 61 61 PRO CA C 61 64.043 65.037 -0.994 1
1 618 . 18 1 1 A 61 61 PRO CB C 61 31.752 31.828 -0.076 1
1 621 . 18 1 1 A 62 62 GLY H H 62 7.210 8.091 -0.881 1
1 622 . 18 1 1 A 62 62 GLY HA2 H 62 3.928 3.786 0.142 1
1 623 . 18 1 1 A 62 62 GLY HA3 H 62 3.666 3.931 -0.265 1
1 624 . 18 1 1 A 62 62 GLY CA C 62 46.610 47.078 -0.468 1
1 625 . 18 1 1 A 62 62 GLY N N 62 105.065 106.032 -0.967 1
1 626 . 18 1 1 A 63 63 ASP H H 63 8.237 8.006 0.231 1
1 627 . 18 1 1 A 63 63 ASP HA H 63 4.648 4.765 -0.117 1
1 630 . 18 1 1 A 63 63 ASP C C 63 177.303 176.371 0.932 1
1 631 . 18 1 1 A 63 63 ASP CA C 63 53.182 54.882 -1.700 1
1 632 . 18 1 1 A 63 63 ASP CB C 63 42.216 42.125 0.091 1
1 633 . 18 1 1 A 63 63 ASP N N 63 118.685 119.022 -0.337 1
1 634 . 18 1 1 A 64 64 GLY H H 64 8.315 8.113 0.202 1
1 635 . 18 1 1 A 64 64 GLY HA2 H 64 3.900 3.987 -0.087 1
1 636 . 18 1 1 A 64 64 GLY HA3 H 64 3.635 4.020 -0.385 1
1 637 . 18 1 1 A 64 64 GLY C C 64 174.457 173.747 0.710 1
1 638 . 18 1 1 A 64 64 GLY CA C 64 46.004 45.476 0.528 1
1 639 . 18 1 1 A 64 64 GLY N N 64 109.742 106.418 3.324 1
1 640 . 18 1 1 A 65 65 HIS H H 65 9.101 7.610 1.491 1
1 641 . 18 1 1 A 65 65 HIS HA H 65 4.675 4.998 -0.323 1
1 645 . 18 1 1 A 65 65 HIS C C 65 173.603 173.427 0.176 1
1 646 . 18 1 1 A 65 65 HIS CA C 65 55.208 54.447 0.761 1
1 647 . 18 1 1 A 65 65 HIS CB C 65 30.321 34.244 -3.923 1
1 649 . 18 1 1 A 65 65 HIS N N 65 121.111 116.829 4.282 1
1 650 . 18 1 1 A 66 66 PHE H H 66 8.841 8.410 0.431 1
1 651 . 18 1 1 A 66 66 PHE HA H 66 5.005 5.246 -0.241 1
1 659 . 18 1 1 A 66 66 PHE C C 66 174.272 174.204 0.068 1
1 660 . 18 1 1 A 66 66 PHE CA C 66 57.904 56.152 1.752 1
1 661 . 18 1 1 A 66 66 PHE CB C 66 40.990 41.312 -0.322 1
1 667 . 18 1 1 A 66 66 PHE N N 66 118.465 117.392 1.073 1
1 668 . 18 1 1 A 67 67 TYR H H 67 8.714 9.291 -0.577 1
1 669 . 18 1 1 A 67 67 TYR HA H 67 5.676 5.202 0.474 1
1 676 . 18 1 1 A 67 67 TYR C C 67 176.345 175.774 0.571 1
1 677 . 18 1 1 A 67 67 TYR CA C 67 56.829 56.630 0.199 1
1 678 . 18 1 1 A 67 67 TYR CB C 67 43.668 43.205 0.463 1
1 683 . 18 1 1 A 67 67 TYR N N 67 117.828 121.541 -3.713 1
1 684 . 18 1 1 A 68 68 CYS H H 68 9.524 8.646 0.878 1
1 685 . 18 1 1 A 68 68 CYS HA H 68 5.152 4.912 0.240 1
1 688 . 18 1 1 A 68 68 CYS C C 68 176.563 176.388 0.175 1
1 689 . 18 1 1 A 68 68 CYS CA C 68 58.468 58.176 0.292 1
1 690 . 18 1 1 A 68 68 CYS CB C 68 29.373 29.682 -0.309 1
1 691 . 18 1 1 A 68 68 CYS N N 68 120.631 120.203 0.428 1
1 692 . 18 1 1 A 69 69 LEU H H 69 7.630 8.769 -1.139 1
1 693 . 18 1 1 A 69 69 LEU HA H 69 3.952 4.389 -0.437 1
1 703 . 18 1 1 A 69 69 LEU C C 69 179.373 176.867 2.506 1
1 704 . 18 1 1 A 69 69 LEU CA C 69 58.080 55.294 2.786 1
1 705 . 18 1 1 A 69 69 LEU CB C 69 40.125 41.301 -1.176 1
1 709 . 18 1 1 A 69 69 LEU N N 69 117.279 122.473 -5.194 1
1 710 . 18 1 1 A 70 70 GLN H H 70 8.159 8.265 -0.106 1
1 711 . 18 1 1 A 70 70 GLN HA H 70 4.106 4.698 -0.592 1
1 718 . 18 1 1 A 70 70 GLN C C 70 177.094 176.978 0.116 1
1 719 . 18 1 1 A 70 70 GLN CA C 70 57.781 56.538 1.243 1
1 720 . 18 1 1 A 70 70 GLN CB C 70 28.537 31.177 -2.640 1
1 722 . 18 1 1 A 70 70 GLN N N 70 115.749 119.399 -3.650 1
1 724 . 18 1 1 A 71 71 HIS H H 71 7.651 7.630 0.021 1
1 725 . 18 1 1 A 71 71 HIS HA H 71 4.917 4.780 0.137 1
1 730 . 18 1 1 A 71 71 HIS C C 71 173.431 174.986 -1.555 1
1 731 . 18 1 1 A 71 71 HIS CA C 71 56.142 56.210 -0.068 1
1 732 . 18 1 1 A 71 71 HIS CB C 71 33.010 31.610 1.400 1
1 735 . 18 1 1 A 71 71 HIS N N 71 116.846 115.369 1.477 1
1 736 . 18 1 1 A 72 72 LEU H H 72 7.154 7.541 -0.387 1
1 737 . 18 1 1 A 72 72 LEU HA H 72 3.772 4.087 -0.315 1
1 747 . 18 1 1 A 72 72 LEU C C 72 174.748 175.058 -0.310 1
1 748 . 18 1 1 A 72 72 LEU CA C 72 53.499 53.260 0.239 1
1 749 . 18 1 1 A 72 72 LEU CB C 72 42.729 43.085 -0.356 1
1 753 . 18 1 1 A 72 72 LEU N N 72 124.029 121.880 2.149 1
1 754 . 18 1 1 A 73 73 PRO HA H 73 4.145 4.432 -0.287 1
1 761 . 18 1 1 A 73 73 PRO C C 73 175.785 175.447 0.338 1
1 762 . 18 1 1 A 73 73 PRO CA C 73 63.050 62.100 0.950 1
1 763 . 18 1 1 A 73 73 PRO CB C 73 32.055 32.669 -0.614 1
1 766 . 18 1 1 A 74 74 GLN H H 74 8.359 8.496 -0.137 1
1 767 . 18 1 1 A 74 74 GLN HA H 74 4.386 5.087 -0.701 1
1 774 . 18 1 1 A 74 74 GLN C C 74 176.731 174.203 2.528 1
1 775 . 18 1 1 A 74 74 GLN CA C 74 55.526 54.735 0.791 1
1 776 . 18 1 1 A 74 74 GLN CB C 74 29.817 32.502 -2.685 1
1 778 . 18 1 1 A 74 74 GLN N N 74 120.467 118.461 2.006 1
1 780 . 18 1 1 A 75 75 THR H H 75 8.368 8.810 -0.442 1
1 781 . 18 1 1 A 75 75 THR HA H 75 4.390 4.762 -0.372 1
1 786 . 18 1 1 A 75 75 THR C C 75 174.257 173.776 0.481 1
1 787 . 18 1 1 A 75 75 THR CA C 75 61.993 60.882 1.111 1
1 788 . 18 1 1 A 75 75 THR CB C 75 69.991 70.282 -0.291 1
1 790 . 18 1 1 A 75 75 THR N N 75 116.318 119.473 -3.155 1
1 791 . 18 1 1 A 76 76 ASP H H 76 8.528 8.971 -0.443 1
1 792 . 18 1 1 A 76 76 ASP HA H 76 4.700 4.098 0.602 1
1 795 . 18 1 1 A 76 76 ASP C C 76 176.200 174.506 1.694 1
1 796 . 18 1 1 A 76 76 ASP CA C 76 54.363 55.259 -0.896 1
1 797 . 18 1 1 A 76 76 ASP CB C 76 41.362 39.527 1.835 1
1 798 . 18 1 1 A 76 76 ASP N N 76 123.204 125.992 -2.788 1
1 799 . 18 1 1 A 77 77 SER H H 77 8.346 7.958 0.388 1
1 800 . 18 1 1 A 77 77 SER HA H 77 4.497 4.667 -0.170 1
1 803 . 18 1 1 A 77 77 SER C C 77 174.724 173.822 0.902 1
1 804 . 18 1 1 A 77 77 SER CA C 77 58.451 57.307 1.144 1
1 805 . 18 1 1 A 77 77 SER CB C 77 64.101 64.091 0.010 1
1 806 . 18 1 1 A 77 77 SER N N 77 116.515 113.722 2.793 1
1 807 . 18 1 1 A 78 78 GLY H H 78 8.330 7.609 0.721 1
1 808 . 18 1 1 A 78 78 GLY HA2 H 78 4.135 4.146 -0.011 1
1 809 . 18 1 1 A 78 78 GLY HA3 H 78 4.135 4.147 -0.012 1
1 810 . 18 1 1 A 78 78 GLY C C 78 171.883 172.288 -0.405 1
1 811 . 18 1 1 A 78 78 GLY CA C 78 44.745 46.054 -1.309 1
1 812 . 18 1 1 A 78 78 GLY N N 78 110.837 109.716 1.121 1
1 813 . 18 1 1 A 79 79 PRO HA H 79 4.501 4.618 -0.117 1
1 820 . 18 1 1 A 79 79 PRO C C 79 177.463 177.094 0.369 1
1 821 . 18 1 1 A 79 79 PRO CA C 79 63.332 62.300 1.032 1
1 822 . 18 1 1 A 79 79 PRO CB C 79 32.229 29.534 2.695 1
1 825 . 18 1 1 A 80 80 SER H H 80 8.531 8.393 0.138 1
1 826 . 18 1 1 A 80 80 SER HA H 80 4.521 4.375 0.146 1
1 829 . 18 1 1 A 80 80 SER C C 80 174.760 173.968 0.792 1
1 830 . 18 1 1 A 80 80 SER CA C 80 58.398 59.070 -0.672 1
1 831 . 18 1 1 A 80 80 SER CB C 80 63.978 63.381 0.597 1
1 832 . 18 1 1 A 80 80 SER N N 80 116.479 118.012 -1.533 1
1 833 . 18 1 1 A 81 81 SER H H 81 8.358 8.716 -0.358 1
1 834 . 18 1 1 A 81 81 SER HA H 81 4.530 4.816 -0.286 1
1 837 . 18 1 1 A 81 81 SER C C 81 173.982 174.799 -0.817 1
1 838 . 18 1 1 A 81 81 SER CA C 81 58.416 57.566 0.850 1
1 839 . 18 1 1 A 81 81 SER CB C 81 64.082 64.108 -0.026 1
1 840 . 18 1 1 A 81 81 SER N N 81 117.964 122.167 -4.203 1
1 1 . 19 1 1 A 9 9 HIS HA H 9 4.627 4.121 0.506 1
1 5 . 19 1 1 A 9 9 HIS C C 9 175.239 173.428 1.811 1
1 6 . 19 1 1 A 9 9 HIS CA C 9 56.347 56.981 -0.634 1
1 7 . 19 1 1 A 9 9 HIS CB C 9 30.681 26.674 4.007 1
1 9 . 19 1 1 A 10 10 GLN H H 10 8.313 7.837 0.476 1
1 10 . 19 1 1 A 10 10 GLN HA H 10 4.323 4.821 -0.498 1
1 17 . 19 1 1 A 10 10 GLN C C 10 175.703 174.326 1.377 1
1 18 . 19 1 1 A 10 10 GLN CA C 10 55.875 54.610 1.265 1
1 19 . 19 1 1 A 10 10 GLN CB C 10 29.726 30.560 -0.834 1
1 21 . 19 1 1 A 10 10 GLN N N 10 122.031 115.738 6.293 1
1 23 . 19 1 1 A 11 11 GLU H H 11 8.546 8.912 -0.366 1
1 24 . 19 1 1 A 11 11 GLU HA H 11 4.275 5.064 -0.789 1
1 29 . 19 1 1 A 11 11 GLU C C 11 176.303 174.807 1.496 1
1 30 . 19 1 1 A 11 11 GLU CA C 11 56.472 54.614 1.858 1
1 31 . 19 1 1 A 11 11 GLU CB C 11 30.303 33.724 -3.421 1
1 33 . 19 1 1 A 11 11 GLU N N 11 122.648 122.723 -0.075 1
1 34 . 19 1 1 A 12 12 ALA H H 12 8.403 8.591 -0.188 1
1 35 . 19 1 1 A 12 12 ALA HA H 12 4.288 4.907 -0.619 1
1 39 . 19 1 1 A 12 12 ALA C C 12 178.231 176.486 1.745 1
1 40 . 19 1 1 A 12 12 ALA CA C 12 52.759 50.868 1.891 1
1 41 . 19 1 1 A 12 12 ALA CB C 12 19.237 19.991 -0.754 1
1 42 . 19 1 1 A 12 12 ALA N N 12 125.516 125.980 -0.464 1
1 43 . 19 1 1 A 13 13 GLY H H 13 8.490 8.908 -0.418 1
1 44 . 19 1 1 A 13 13 GLY HA2 H 13 3.994 4.149 -0.155 1
1 45 . 19 1 1 A 13 13 GLY HA3 H 13 3.890 4.151 -0.261 1
1 46 . 19 1 1 A 13 13 GLY C C 13 174.176 174.495 -0.319 1
1 47 . 19 1 1 A 13 13 GLY CA C 13 45.094 45.195 -0.101 1
1 48 . 19 1 1 A 13 13 GLY N N 13 108.839 112.549 -3.710 1
1 49 . 19 1 1 A 14 14 ALA H H 14 8.172 8.445 -0.273 1
1 50 . 19 1 1 A 14 14 ALA HA H 14 4.246 4.060 0.186 1
1 54 . 19 1 1 A 14 14 ALA C C 14 178.304 177.728 0.576 1
1 55 . 19 1 1 A 14 14 ALA CA C 14 52.988 52.940 0.048 1
1 56 . 19 1 1 A 14 14 ALA CB C 14 19.228 19.339 -0.111 1
1 57 . 19 1 1 A 14 14 ALA N N 14 123.459 126.911 -3.452 1
1 58 . 19 1 1 A 15 15 GLY H H 15 8.329 7.970 0.359 1
1 59 . 19 1 1 A 15 15 GLY HA2 H 15 3.578 4.014 -0.436 1
1 60 . 19 1 1 A 15 15 GLY HA3 H 15 3.578 4.041 -0.463 1
1 61 . 19 1 1 A 15 15 GLY C C 15 173.577 174.562 -0.985 1
1 62 . 19 1 1 A 15 15 GLY CA C 15 45.128 45.312 -0.184 1
1 63 . 19 1 1 A 15 15 GLY N N 15 107.276 106.278 0.998 1
1 64 . 19 1 1 A 16 16 ASP H H 16 7.898 8.221 -0.323 1
1 65 . 19 1 1 A 16 16 ASP HA H 16 4.547 4.599 -0.052 1
1 68 . 19 1 1 A 16 16 ASP C C 16 174.898 175.468 -0.570 1
1 69 . 19 1 1 A 16 16 ASP CA C 16 54.344 52.899 1.445 1
1 70 . 19 1 1 A 16 16 ASP CB C 16 41.534 40.341 1.193 1
1 71 . 19 1 1 A 16 16 ASP N N 16 118.642 118.716 -0.074 1
1 72 . 19 1 1 A 17 17 LEU H H 17 7.822 7.383 0.439 1
1 73 . 19 1 1 A 17 17 LEU HA H 17 4.446 4.643 -0.197 1
1 83 . 19 1 1 A 17 17 LEU C C 17 175.902 175.704 0.198 1
1 84 . 19 1 1 A 17 17 LEU CA C 17 53.128 53.011 0.117 1
1 85 . 19 1 1 A 17 17 LEU CB C 17 44.656 45.112 -0.456 1
1 89 . 19 1 1 A 17 17 LEU N N 17 119.654 120.078 -0.424 1
1 90 . 19 1 1 A 18 18 CYS H H 18 8.080 8.416 -0.336 1
1 91 . 19 1 1 A 18 18 CYS HA H 18 4.248 3.996 0.252 1
1 94 . 19 1 1 A 18 18 CYS C C 18 177.466 174.960 2.506 1
1 95 . 19 1 1 A 18 18 CYS CA C 18 58.398 59.278 -0.880 1
1 96 . 19 1 1 A 18 18 CYS CB C 18 31.990 28.154 3.836 1
1 97 . 19 1 1 A 18 18 CYS N N 18 123.013 123.988 -0.975 1
1 98 . 19 1 1 A 19 19 ALA H H 19 9.211 8.330 0.881 1
1 99 . 19 1 1 A 19 19 ALA HA H 19 4.172 3.960 0.212 1
1 103 . 19 1 1 A 19 19 ALA C C 19 177.724 179.353 -1.629 1
1 104 . 19 1 1 A 19 19 ALA CA C 19 54.327 53.796 0.531 1
1 105 . 19 1 1 A 19 19 ALA CB C 19 18.662 18.968 -0.306 1
1 106 . 19 1 1 A 19 19 ALA N N 19 132.258 127.719 4.539 1
1 107 . 19 1 1 A 20 20 LEU H H 20 8.911 7.800 1.111 1
1 108 . 19 1 1 A 20 20 LEU HA H 20 4.736 3.992 0.744 1
1 118 . 19 1 1 A 20 20 LEU C C 20 177.779 178.692 -0.913 1
1 119 . 19 1 1 A 20 20 LEU CA C 20 56.935 58.119 -1.184 1
1 120 . 19 1 1 A 20 20 LEU CB C 20 43.750 41.988 1.762 1
1 124 . 19 1 1 A 20 20 LEU N N 20 119.770 118.620 1.150 1
1 125 . 19 1 1 A 21 21 CYS H H 21 8.159 7.321 0.838 1
1 126 . 19 1 1 A 21 21 CYS HA H 21 4.962 4.597 0.365 1
1 129 . 19 1 1 A 21 21 CYS C C 21 176.947 175.899 1.048 1
1 130 . 19 1 1 A 21 21 CYS CA C 21 59.137 59.675 -0.538 1
1 131 . 19 1 1 A 21 21 CYS CB C 21 31.728 29.398 2.330 1
1 132 . 19 1 1 A 21 21 CYS N N 21 116.713 113.012 3.701 1
1 133 . 19 1 1 A 22 22 GLY H H 22 8.088 7.913 0.175 1
1 134 . 19 1 1 A 22 22 GLY HA2 H 22 4.160 3.938 0.222 1
1 135 . 19 1 1 A 22 22 GLY HA3 H 22 3.865 3.973 -0.108 1
1 136 . 19 1 1 A 22 22 GLY C C 22 173.190 175.031 -1.841 1
1 137 . 19 1 1 A 22 22 GLY CA C 22 46.556 46.342 0.214 1
1 138 . 19 1 1 A 22 22 GLY N N 22 112.000 109.846 2.154 1
1 139 . 19 1 1 A 23 23 GLU H H 23 8.378 8.558 -0.180 1
1 140 . 19 1 1 A 23 23 GLU HA H 23 4.712 4.472 0.240 1
1 145 . 19 1 1 A 23 23 GLU C C 23 176.434 176.476 -0.042 1
1 146 . 19 1 1 A 23 23 GLU CA C 23 55.014 58.216 -3.202 1
1 147 . 19 1 1 A 23 23 GLU CB C 23 31.557 30.221 1.336 1
1 149 . 19 1 1 A 23 23 GLU N N 23 118.877 117.823 1.054 1
1 150 . 19 1 1 A 24 24 HIS H H 24 8.666 7.818 0.848 1
1 151 . 19 1 1 A 24 24 HIS HA H 24 4.333 4.824 -0.491 1
1 156 . 19 1 1 A 24 24 HIS C C 24 175.281 172.957 2.324 1
1 157 . 19 1 1 A 24 24 HIS CA C 24 58.186 56.440 1.746 1
1 158 . 19 1 1 A 24 24 HIS CB C 24 30.099 32.651 -2.552 1
1 161 . 19 1 1 A 24 24 HIS N N 24 118.732 115.168 3.564 1
1 162 . 19 1 1 A 25 25 LEU H H 25 7.928 8.559 -0.631 1
1 163 . 19 1 1 A 25 25 LEU HA H 25 4.174 5.086 -0.912 1
1 173 . 19 1 1 A 25 25 LEU C C 25 175.186 175.526 -0.340 1
1 174 . 19 1 1 A 25 25 LEU CA C 25 53.992 53.939 0.053 1
1 175 . 19 1 1 A 25 25 LEU CB C 25 43.742 44.075 -0.333 1
1 179 . 19 1 1 A 25 25 LEU N N 25 125.590 127.892 -2.302 1
1 180 . 19 1 1 A 26 26 TYR H H 26 8.768 8.760 0.008 1
1 181 . 19 1 1 A 26 26 TYR HA H 26 4.651 4.960 -0.309 1
1 188 . 19 1 1 A 26 26 TYR C C 26 177.267 176.106 1.161 1
1 189 . 19 1 1 A 26 26 TYR CA C 26 57.270 56.200 1.070 1
1 190 . 19 1 1 A 26 26 TYR CB C 26 38.210 40.777 -2.567 1
1 195 . 19 1 1 A 26 26 TYR N N 26 123.119 123.281 -0.162 1
1 196 . 19 1 1 A 27 27 VAL H H 27 8.086 7.653 0.433 1
1 197 . 19 1 1 A 27 27 VAL HA H 27 3.809 3.472 0.337 1
1 205 . 19 1 1 A 27 27 VAL C C 27 176.958 177.260 -0.302 1
1 206 . 19 1 1 A 27 27 VAL CA C 27 64.551 66.390 -1.839 1
1 207 . 19 1 1 A 27 27 VAL CB C 27 31.788 31.198 0.590 1
1 210 . 19 1 1 A 27 27 VAL N N 27 121.055 124.150 -3.095 1
1 211 . 19 1 1 A 28 28 LEU H H 28 7.665 7.778 -0.113 1
1 212 . 19 1 1 A 28 28 LEU HA H 28 4.285 4.521 -0.236 1
1 222 . 19 1 1 A 28 28 LEU C C 28 177.710 177.256 0.454 1
1 223 . 19 1 1 A 28 28 LEU CA C 28 56.297 54.323 1.974 1
1 224 . 19 1 1 A 28 28 LEU CB C 28 41.998 41.893 0.105 1
1 228 . 19 1 1 A 28 28 LEU N N 28 119.062 119.448 -0.386 1
1 229 . 19 1 1 A 29 29 GLU H H 29 7.961 7.948 0.013 1
1 230 . 19 1 1 A 29 29 GLU HA H 29 4.479 4.674 -0.195 1
1 235 . 19 1 1 A 29 29 GLU C C 29 175.755 176.055 -0.300 1
1 236 . 19 1 1 A 29 29 GLU CA C 29 56.248 56.203 0.045 1
1 237 . 19 1 1 A 29 29 GLU CB C 29 30.550 31.335 -0.785 1
1 239 . 19 1 1 A 29 29 GLU N N 29 117.067 118.412 -1.345 1
1 240 . 19 1 1 A 30 30 ARG H H 30 7.724 7.409 0.315 1
1 241 . 19 1 1 A 30 30 ARG HA H 30 4.688 5.030 -0.342 1
1 248 . 19 1 1 A 30 30 ARG C C 30 174.546 175.047 -0.501 1
1 249 . 19 1 1 A 30 30 ARG CA C 30 55.948 55.020 0.928 1
1 250 . 19 1 1 A 30 30 ARG CB C 30 33.034 32.577 0.457 1
1 253 . 19 1 1 A 30 30 ARG N N 30 120.305 117.653 2.652 1
1 254 . 19 1 1 A 31 31 LEU H H 31 8.970 9.108 -0.138 1
1 255 . 19 1 1 A 31 31 LEU HA H 31 4.635 4.788 -0.153 1
1 265 . 19 1 1 A 31 31 LEU C C 31 174.536 175.256 -0.720 1
1 266 . 19 1 1 A 31 31 LEU CA C 31 54.168 53.682 0.486 1
1 267 . 19 1 1 A 31 31 LEU CB C 31 45.021 41.994 3.027 1
1 271 . 19 1 1 A 31 31 LEU N N 31 124.553 125.627 -1.074 1
1 272 . 19 1 1 A 32 32 CYS H H 32 8.558 8.902 -0.344 1
1 273 . 19 1 1 A 32 32 CYS HA H 32 4.954 4.037 0.917 1
1 276 . 19 1 1 A 32 32 CYS C C 32 174.418 173.796 0.622 1
1 277 . 19 1 1 A 32 32 CYS CA C 32 56.874 59.041 -2.167 1
1 278 . 19 1 1 A 32 32 CYS CB C 32 28.054 27.491 0.563 1
1 279 . 19 1 1 A 32 32 CYS N N 32 124.126 124.677 -0.551 1
1 280 . 19 1 1 A 33 33 VAL H H 33 8.893 8.864 0.029 1
1 281 . 19 1 1 A 33 33 VAL HA H 33 4.103 4.381 -0.278 1
1 289 . 19 1 1 A 33 33 VAL C C 33 175.525 175.996 -0.471 1
1 290 . 19 1 1 A 33 33 VAL CA C 33 61.551 61.059 0.492 1
1 291 . 19 1 1 A 33 33 VAL CB C 33 34.027 33.718 0.309 1
1 294 . 19 1 1 A 33 33 VAL N N 33 129.037 128.319 0.718 1
1 295 . 19 1 1 A 34 34 ASN HA H 34 4.389 4.394 -0.005 1
1 300 . 19 1 1 A 34 34 ASN C C 34 174.946 175.215 -0.269 1
1 301 . 19 1 1 A 34 34 ASN CA C 34 53.922 54.768 -0.846 1
1 302 . 19 1 1 A 34 34 ASN CB C 34 37.332 37.336 -0.004 1
1 304 . 19 1 1 A 35 35 GLY H H 35 7.896 8.048 -0.152 1
1 305 . 19 1 1 A 35 35 GLY HA2 H 35 3.891 3.650 0.241 1
1 306 . 19 1 1 A 35 35 GLY HA3 H 35 3.180 3.707 -0.527 1
1 307 . 19 1 1 A 35 35 GLY C C 35 172.892 174.643 -1.751 1
1 308 . 19 1 1 A 35 35 GLY CA C 35 45.290 44.901 0.389 1
1 309 . 19 1 1 A 35 35 GLY N N 35 102.630 104.245 -1.615 1
1 310 . 19 1 1 A 36 36 HIS H H 36 7.694 7.112 0.582 1
1 311 . 19 1 1 A 36 36 HIS HA H 36 4.433 4.532 -0.099 1
1 315 . 19 1 1 A 36 36 HIS C C 36 172.910 173.796 -0.886 1
1 316 . 19 1 1 A 36 36 HIS CA C 36 54.433 56.106 -1.673 1
1 317 . 19 1 1 A 36 36 HIS CB C 36 32.464 30.873 1.591 1
1 319 . 19 1 1 A 36 36 HIS N N 36 119.651 118.314 1.337 1
1 320 . 19 1 1 A 37 37 PHE H H 37 8.502 8.723 -0.221 1
1 321 . 19 1 1 A 37 37 PHE HA H 37 5.314 5.484 -0.170 1
1 329 . 19 1 1 A 37 37 PHE C C 37 174.239 174.102 0.137 1
1 330 . 19 1 1 A 37 37 PHE CA C 37 56.424 56.295 0.129 1
1 331 . 19 1 1 A 37 37 PHE CB C 37 41.572 43.509 -1.937 1
1 337 . 19 1 1 A 37 37 PHE N N 37 119.583 118.229 1.354 1
1 338 . 19 1 1 A 38 38 PHE H H 38 8.664 8.997 -0.333 1
1 339 . 19 1 1 A 38 38 PHE HA H 38 5.866 4.866 1.000 1
1 347 . 19 1 1 A 38 38 PHE C C 38 177.496 174.952 2.544 1
1 348 . 19 1 1 A 38 38 PHE CA C 38 55.296 56.379 -1.083 1
1 349 . 19 1 1 A 38 38 PHE CB C 38 44.392 43.121 1.271 1
1 355 . 19 1 1 A 38 38 PHE N N 38 116.719 118.971 -2.252 1
1 356 . 19 1 1 A 39 39 HIS H H 39 8.854 8.814 0.040 1
1 357 . 19 1 1 A 39 39 HIS HA H 39 4.675 4.732 -0.057 1
1 362 . 19 1 1 A 39 39 HIS C C 39 178.476 176.988 1.488 1
1 363 . 19 1 1 A 39 39 HIS CA C 39 59.297 56.367 2.930 1
1 364 . 19 1 1 A 39 39 HIS CB C 39 30.980 30.361 0.619 1
1 367 . 19 1 1 A 39 39 HIS N N 39 120.015 119.715 0.300 1
1 368 . 19 1 1 A 40 40 ARG H H 40 9.256 9.026 0.230 1
1 369 . 19 1 1 A 40 40 ARG HA H 40 3.965 3.953 0.012 1
1 376 . 19 1 1 A 40 40 ARG C C 40 179.459 178.364 1.095 1
1 377 . 19 1 1 A 40 40 ARG CA C 40 60.547 59.946 0.601 1
1 378 . 19 1 1 A 40 40 ARG CB C 40 29.598 29.979 -0.381 1
1 381 . 19 1 1 A 40 40 ARG N N 40 126.206 123.507 2.699 1
1 382 . 19 1 1 A 41 41 SER H H 41 8.643 7.986 0.657 1
1 383 . 19 1 1 A 41 41 SER HA H 41 4.221 4.249 -0.028 1
1 386 . 19 1 1 A 41 41 SER C C 41 175.499 176.862 -1.363 1
1 387 . 19 1 1 A 41 41 SER CA C 41 60.160 61.249 -1.089 1
1 388 . 19 1 1 A 41 41 SER CB C 41 62.847 63.080 -0.233 1
1 389 . 19 1 1 A 41 41 SER N N 41 109.970 115.222 -5.252 1
1 390 . 19 1 1 A 42 42 CYS H H 42 7.427 8.372 -0.945 1
1 391 . 19 1 1 A 42 42 CYS HA H 42 4.306 4.176 0.130 1
1 394 . 19 1 1 A 42 42 CYS C C 42 174.200 176.344 -2.144 1
1 395 . 19 1 1 A 42 42 CYS CA C 42 61.569 63.225 -1.656 1
1 396 . 19 1 1 A 42 42 CYS CB C 42 30.945 27.079 3.866 1
1 397 . 19 1 1 A 42 42 CYS N N 42 118.020 119.034 -1.014 1
1 398 . 19 1 1 A 43 43 PHE H H 43 7.257 7.807 -0.550 1
1 399 . 19 1 1 A 43 43 PHE HA H 43 4.122 4.205 -0.083 1
1 407 . 19 1 1 A 43 43 PHE C C 43 172.037 174.422 -2.385 1
1 408 . 19 1 1 A 43 43 PHE CA C 43 57.112 58.706 -1.594 1
1 409 . 19 1 1 A 43 43 PHE CB C 43 37.448 39.095 -1.647 1
1 415 . 19 1 1 A 43 43 PHE N N 43 122.965 121.072 1.893 1
1 416 . 19 1 1 A 44 44 ARG H H 44 7.110 8.280 -1.170 1
1 417 . 19 1 1 A 44 44 ARG HA H 44 4.821 4.932 -0.111 1
1 424 . 19 1 1 A 44 44 ARG C C 44 174.097 174.902 -0.805 1
1 425 . 19 1 1 A 44 44 ARG CA C 44 53.323 53.446 -0.123 1
1 426 . 19 1 1 A 44 44 ARG CB C 44 34.911 34.172 0.739 1
1 429 . 19 1 1 A 44 44 ARG N N 44 123.199 125.620 -2.421 1
1 430 . 19 1 1 A 45 45 CYS H H 45 8.580 8.537 0.043 1
1 431 . 19 1 1 A 45 45 CYS HA H 45 4.055 4.467 -0.412 1
1 434 . 19 1 1 A 45 45 CYS C C 45 177.493 175.300 2.193 1
1 435 . 19 1 1 A 45 45 CYS CA C 45 59.878 59.733 0.145 1
1 436 . 19 1 1 A 45 45 CYS CB C 45 32.052 28.918 3.134 1
1 437 . 19 1 1 A 45 45 CYS N N 45 121.527 121.092 0.435 1
1 438 . 19 1 1 A 46 46 HIS H H 46 9.187 8.655 0.532 1
1 439 . 19 1 1 A 46 46 HIS HA H 46 4.184 4.530 -0.346 1
1 443 . 19 1 1 A 46 46 HIS C C 46 175.000 176.057 -1.057 1
1 444 . 19 1 1 A 46 46 HIS CA C 46 59.137 57.116 2.021 1
1 445 . 19 1 1 A 46 46 HIS CB C 46 29.560 30.340 -0.780 1
1 447 . 19 1 1 A 46 46 HIS N N 46 130.205 125.177 5.028 1
1 448 . 19 1 1 A 47 47 THR H H 47 8.848 7.612 1.236 1
1 449 . 19 1 1 A 47 47 THR HA H 47 4.134 4.386 -0.252 1
1 454 . 19 1 1 A 47 47 THR C C 47 174.926 175.985 -1.059 1
1 455 . 19 1 1 A 47 47 THR CA C 47 65.535 63.769 1.766 1
1 456 . 19 1 1 A 47 47 THR CB C 47 70.010 70.648 -0.638 1
1 458 . 19 1 1 A 47 47 THR N N 47 116.066 111.859 4.207 1
1 459 . 19 1 1 A 48 48 CYS H H 48 8.181 8.195 -0.014 1
1 460 . 19 1 1 A 48 48 CYS HA H 48 4.821 4.526 0.295 1
1 463 . 19 1 1 A 48 48 CYS C C 48 176.004 174.543 1.461 1
1 464 . 19 1 1 A 48 48 CYS CA C 48 59.050 58.313 0.737 1
1 465 . 19 1 1 A 48 48 CYS CB C 48 32.944 28.551 4.393 1
1 466 . 19 1 1 A 48 48 CYS N N 48 119.626 115.865 3.761 1
1 467 . 19 1 1 A 49 49 GLU H H 49 8.081 7.973 0.108 1
1 468 . 19 1 1 A 49 49 GLU HA H 49 3.865 4.199 -0.334 1
1 473 . 19 1 1 A 49 49 GLU C C 49 174.137 174.652 -0.515 1
1 474 . 19 1 1 A 49 49 GLU CA C 49 58.732 57.530 1.202 1
1 475 . 19 1 1 A 49 49 GLU CB C 49 27.345 27.206 0.139 1
1 477 . 19 1 1 A 49 49 GLU N N 49 116.307 116.927 -0.620 1
1 478 . 19 1 1 A 50 50 ALA H H 50 8.498 7.773 0.725 1
1 479 . 19 1 1 A 50 50 ALA HA H 50 4.388 4.602 -0.214 1
1 483 . 19 1 1 A 50 50 ALA C C 50 178.362 176.839 1.523 1
1 484 . 19 1 1 A 50 50 ALA CA C 50 53.111 50.417 2.694 1
1 485 . 19 1 1 A 50 50 ALA CB C 50 20.334 20.506 -0.172 1
1 486 . 19 1 1 A 50 50 ALA N N 50 124.211 120.682 3.529 1
1 487 . 19 1 1 A 51 51 THR H H 51 8.470 8.491 -0.021 1
1 488 . 19 1 1 A 51 51 THR HA H 51 3.811 3.971 -0.160 1
1 493 . 19 1 1 A 51 51 THR C C 51 173.931 173.787 0.144 1
1 494 . 19 1 1 A 51 51 THR CA C 51 64.345 63.698 0.647 1
1 495 . 19 1 1 A 51 51 THR CB C 51 69.428 68.297 1.131 1
1 497 . 19 1 1 A 51 51 THR N N 51 117.025 116.778 0.247 1
1 498 . 19 1 1 A 52 52 LEU H H 52 7.421 8.445 -1.024 1
1 499 . 19 1 1 A 52 52 LEU HA H 52 4.439 4.286 0.153 1
1 509 . 19 1 1 A 52 52 LEU C C 52 175.390 175.800 -0.410 1
1 510 . 19 1 1 A 52 52 LEU CA C 52 53.728 54.404 -0.676 1
1 511 . 19 1 1 A 52 52 LEU CB C 52 42.020 40.482 1.538 1
1 515 . 19 1 1 A 52 52 LEU N N 52 125.339 127.771 -2.432 1
1 516 . 19 1 1 A 53 53 TRP H H 53 8.089 8.060 0.029 1
1 517 . 19 1 1 A 53 53 TRP HA H 53 5.148 4.797 0.351 1
1 526 . 19 1 1 A 53 53 TRP C C 53 173.534 176.872 -3.338 1
1 527 . 19 1 1 A 53 53 TRP CA C 53 54.345 56.726 -2.381 1
1 528 . 19 1 1 A 53 53 TRP CB C 53 30.134 29.309 0.825 1
1 534 . 19 1 1 A 53 53 TRP N N 53 120.731 126.768 -6.037 1
1 536 . 19 1 1 A 54 54 PRO HA H 54 4.553 4.671 -0.118 1
1 543 . 19 1 1 A 54 54 PRO CA C 54 64.882 64.124 0.758 1
1 544 . 19 1 1 A 54 54 PRO CB C 54 31.969 31.597 0.372 1
1 547 . 19 1 1 A 55 55 GLY HA2 H 55 4.330 4.194 0.136 1
1 548 . 19 1 1 A 55 55 GLY HA3 H 55 3.795 4.204 -0.409 1
1 549 . 19 1 1 A 55 55 GLY C C 55 175.195 174.031 1.164 1
1 550 . 19 1 1 A 55 55 GLY CA C 55 45.586 45.836 -0.250 1
1 551 . 19 1 1 A 56 56 GLY H H 56 8.653 7.612 1.041 1
1 552 . 19 1 1 A 56 56 GLY HA2 H 56 4.567 4.262 0.305 1
1 553 . 19 1 1 A 56 56 GLY HA3 H 56 3.380 4.337 -0.957 1
1 554 . 19 1 1 A 56 56 GLY C C 56 174.377 173.254 1.123 1
1 555 . 19 1 1 A 56 56 GLY CA C 56 45.237 45.866 -0.629 1
1 556 . 19 1 1 A 56 56 GLY N N 56 107.803 106.662 1.141 1
1 557 . 19 1 1 A 57 57 TYR H H 57 7.269 7.945 -0.676 1
1 558 . 19 1 1 A 57 57 TYR HA H 57 5.600 5.271 0.329 1
1 565 . 19 1 1 A 57 57 TYR C C 57 173.258 173.759 -0.501 1
1 566 . 19 1 1 A 57 57 TYR CA C 57 55.666 56.317 -0.651 1
1 567 . 19 1 1 A 57 57 TYR CB C 57 44.451 41.028 3.423 1
1 572 . 19 1 1 A 57 57 TYR N N 57 116.315 116.384 -0.069 1
1 573 . 19 1 1 A 58 58 GLU H H 58 8.948 8.968 -0.020 1
1 574 . 19 1 1 A 58 58 GLU HA H 58 4.546 4.679 -0.133 1
1 579 . 19 1 1 A 58 58 GLU C C 58 174.242 174.318 -0.076 1
1 580 . 19 1 1 A 58 58 GLU CA C 58 55.790 55.115 0.675 1
1 581 . 19 1 1 A 58 58 GLU CB C 58 35.177 34.219 0.958 1
1 583 . 19 1 1 A 58 58 GLU N N 58 117.931 119.417 -1.486 1
1 584 . 19 1 1 A 59 59 GLN H H 59 9.205 8.762 0.443 1
1 585 . 19 1 1 A 59 59 GLN HA H 59 4.760 5.112 -0.352 1
1 592 . 19 1 1 A 59 59 GLN C C 59 175.807 174.647 1.160 1
1 593 . 19 1 1 A 59 59 GLN CA C 59 53.904 54.246 -0.342 1
1 594 . 19 1 1 A 59 59 GLN CB C 59 29.530 31.194 -1.664 1
1 596 . 19 1 1 A 59 59 GLN N N 59 123.928 123.106 0.822 1
1 598 . 19 1 1 A 60 60 HIS H H 60 9.330 8.742 0.588 1
1 599 . 19 1 1 A 60 60 HIS HA H 60 4.945 4.800 0.145 1
1 604 . 19 1 1 A 60 60 HIS C C 60 175.428 175.513 -0.085 1
1 605 . 19 1 1 A 60 60 HIS CA C 60 54.556 54.586 -0.030 1
1 606 . 19 1 1 A 60 60 HIS CB C 60 32.329 31.004 1.325 1
1 609 . 19 1 1 A 60 60 HIS N N 60 131.634 125.934 5.700 1
1 610 . 19 1 1 A 61 61 PRO HA H 61 4.269 4.199 0.070 1
1 617 . 19 1 1 A 61 61 PRO CA C 61 64.043 64.687 -0.644 1
1 618 . 19 1 1 A 61 61 PRO CB C 61 31.752 31.770 -0.018 1
1 621 . 19 1 1 A 62 62 GLY H H 62 7.210 8.210 -1.000 1
1 622 . 19 1 1 A 62 62 GLY HA2 H 62 3.928 3.828 0.100 1
1 623 . 19 1 1 A 62 62 GLY HA3 H 62 3.666 4.015 -0.349 1
1 624 . 19 1 1 A 62 62 GLY CA C 62 46.610 47.233 -0.623 1
1 625 . 19 1 1 A 62 62 GLY N N 62 105.065 106.040 -0.975 1
1 626 . 19 1 1 A 63 63 ASP H H 63 8.237 8.041 0.196 1
1 627 . 19 1 1 A 63 63 ASP HA H 63 4.648 4.691 -0.043 1
1 630 . 19 1 1 A 63 63 ASP C C 63 177.303 176.074 1.229 1
1 631 . 19 1 1 A 63 63 ASP CA C 63 53.182 55.238 -2.056 1
1 632 . 19 1 1 A 63 63 ASP CB C 63 42.216 41.866 0.350 1
1 633 . 19 1 1 A 63 63 ASP N N 63 118.685 120.629 -1.944 1
1 634 . 19 1 1 A 64 64 GLY H H 64 8.315 7.849 0.466 1
1 635 . 19 1 1 A 64 64 GLY HA2 H 64 3.900 3.917 -0.017 1
1 636 . 19 1 1 A 64 64 GLY HA3 H 64 3.635 3.956 -0.321 1
1 637 . 19 1 1 A 64 64 GLY C C 64 174.457 173.714 0.743 1
1 638 . 19 1 1 A 64 64 GLY CA C 64 46.004 45.021 0.983 1
1 639 . 19 1 1 A 64 64 GLY N N 64 109.742 106.275 3.467 1
1 640 . 19 1 1 A 65 65 HIS H H 65 9.101 7.926 1.175 1
1 641 . 19 1 1 A 65 65 HIS HA H 65 4.675 4.920 -0.245 1
1 645 . 19 1 1 A 65 65 HIS C C 65 173.603 173.675 -0.072 1
1 646 . 19 1 1 A 65 65 HIS CA C 65 55.208 54.818 0.390 1
1 647 . 19 1 1 A 65 65 HIS CB C 65 30.321 33.807 -3.486 1
1 649 . 19 1 1 A 65 65 HIS N N 65 121.111 117.424 3.687 1
1 650 . 19 1 1 A 66 66 PHE H H 66 8.841 8.668 0.173 1
1 651 . 19 1 1 A 66 66 PHE HA H 66 5.005 5.372 -0.367 1
1 659 . 19 1 1 A 66 66 PHE C C 66 174.272 174.261 0.011 1
1 660 . 19 1 1 A 66 66 PHE CA C 66 57.904 55.750 2.154 1
1 661 . 19 1 1 A 66 66 PHE CB C 66 40.990 41.291 -0.301 1
1 667 . 19 1 1 A 66 66 PHE N N 66 118.465 117.417 1.048 1
1 668 . 19 1 1 A 67 67 TYR H H 67 8.714 9.167 -0.453 1
1 669 . 19 1 1 A 67 67 TYR HA H 67 5.676 5.133 0.543 1
1 676 . 19 1 1 A 67 67 TYR C C 67 176.345 175.760 0.585 1
1 677 . 19 1 1 A 67 67 TYR CA C 67 56.829 56.537 0.292 1
1 678 . 19 1 1 A 67 67 TYR CB C 67 43.668 43.331 0.337 1
1 683 . 19 1 1 A 67 67 TYR N N 67 117.828 120.892 -3.064 1
1 684 . 19 1 1 A 68 68 CYS H H 68 9.524 8.645 0.879 1
1 685 . 19 1 1 A 68 68 CYS HA H 68 5.152 4.874 0.278 1
1 688 . 19 1 1 A 68 68 CYS C C 68 176.563 176.383 0.180 1
1 689 . 19 1 1 A 68 68 CYS CA C 68 58.468 58.109 0.359 1
1 690 . 19 1 1 A 68 68 CYS CB C 68 29.373 29.469 -0.096 1
1 691 . 19 1 1 A 68 68 CYS N N 68 120.631 120.264 0.367 1
1 692 . 19 1 1 A 69 69 LEU H H 69 7.630 8.750 -1.120 1
1 693 . 19 1 1 A 69 69 LEU HA H 69 3.952 4.382 -0.430 1
1 703 . 19 1 1 A 69 69 LEU C C 69 179.373 176.777 2.596 1
1 704 . 19 1 1 A 69 69 LEU CA C 69 58.080 55.271 2.809 1
1 705 . 19 1 1 A 69 69 LEU CB C 69 40.125 41.328 -1.203 1
1 709 . 19 1 1 A 69 69 LEU N N 69 117.279 122.081 -4.802 1
1 710 . 19 1 1 A 70 70 GLN H H 70 8.159 8.248 -0.089 1
1 711 . 19 1 1 A 70 70 GLN HA H 70 4.106 4.660 -0.554 1
1 718 . 19 1 1 A 70 70 GLN C C 70 177.094 176.989 0.105 1
1 719 . 19 1 1 A 70 70 GLN CA C 70 57.781 56.167 1.614 1
1 720 . 19 1 1 A 70 70 GLN CB C 70 28.537 30.990 -2.453 1
1 722 . 19 1 1 A 70 70 GLN N N 70 115.749 119.216 -3.467 1
1 724 . 19 1 1 A 71 71 HIS H H 71 7.651 7.725 -0.074 1
1 725 . 19 1 1 A 71 71 HIS HA H 71 4.917 4.751 0.166 1
1 730 . 19 1 1 A 71 71 HIS C C 71 173.431 175.054 -1.623 1
1 731 . 19 1 1 A 71 71 HIS CA C 71 56.142 56.232 -0.090 1
1 732 . 19 1 1 A 71 71 HIS CB C 71 33.010 31.707 1.303 1
1 735 . 19 1 1 A 71 71 HIS N N 71 116.846 115.604 1.242 1
1 736 . 19 1 1 A 72 72 LEU H H 72 7.154 7.553 -0.399 1
1 737 . 19 1 1 A 72 72 LEU HA H 72 3.772 4.218 -0.446 1
1 747 . 19 1 1 A 72 72 LEU C C 72 174.748 175.131 -0.383 1
1 748 . 19 1 1 A 72 72 LEU CA C 72 53.499 53.286 0.213 1
1 749 . 19 1 1 A 72 72 LEU CB C 72 42.729 43.007 -0.278 1
1 753 . 19 1 1 A 72 72 LEU N N 72 124.029 121.891 2.138 1
1 754 . 19 1 1 A 73 73 PRO HA H 73 4.145 4.495 -0.350 1
1 761 . 19 1 1 A 73 73 PRO C C 73 175.785 175.287 0.498 1
1 762 . 19 1 1 A 73 73 PRO CA C 73 63.050 62.115 0.935 1
1 763 . 19 1 1 A 73 73 PRO CB C 73 32.055 32.732 -0.677 1
1 766 . 19 1 1 A 74 74 GLN H H 74 8.359 8.630 -0.271 1
1 767 . 19 1 1 A 74 74 GLN HA H 74 4.386 4.970 -0.584 1
1 774 . 19 1 1 A 74 74 GLN C C 74 176.731 176.275 0.456 1
1 775 . 19 1 1 A 74 74 GLN CA C 74 55.526 54.745 0.781 1
1 776 . 19 1 1 A 74 74 GLN CB C 74 29.817 31.477 -1.660 1
1 778 . 19 1 1 A 74 74 GLN N N 74 120.467 118.442 2.025 1
1 780 . 19 1 1 A 75 75 THR H H 75 8.368 8.424 -0.056 1
1 781 . 19 1 1 A 75 75 THR HA H 75 4.390 4.084 0.306 1
1 786 . 19 1 1 A 75 75 THR C C 75 174.257 174.343 -0.086 1
1 787 . 19 1 1 A 75 75 THR CA C 75 61.993 63.059 -1.066 1
1 788 . 19 1 1 A 75 75 THR CB C 75 69.991 66.746 3.245 1
1 790 . 19 1 1 A 75 75 THR N N 75 116.318 118.075 -1.757 1
1 791 . 19 1 1 A 76 76 ASP H H 76 8.528 8.088 0.440 1
1 792 . 19 1 1 A 76 76 ASP HA H 76 4.700 4.649 0.051 1
1 795 . 19 1 1 A 76 76 ASP C C 76 176.200 175.502 0.698 1
1 796 . 19 1 1 A 76 76 ASP CA C 76 54.363 53.065 1.298 1
1 797 . 19 1 1 A 76 76 ASP CB C 76 41.362 40.472 0.890 1
1 798 . 19 1 1 A 76 76 ASP N N 76 123.204 124.254 -1.050 1
1 799 . 19 1 1 A 77 77 SER H H 77 8.346 7.984 0.362 1
1 800 . 19 1 1 A 77 77 SER HA H 77 4.497 4.413 0.084 1
1 803 . 19 1 1 A 77 77 SER C C 77 174.724 175.020 -0.296 1
1 804 . 19 1 1 A 77 77 SER CA C 77 58.451 59.992 -1.541 1
1 805 . 19 1 1 A 77 77 SER CB C 77 64.101 63.643 0.458 1
1 806 . 19 1 1 A 77 77 SER N N 77 116.515 121.803 -5.288 1
1 807 . 19 1 1 A 78 78 GLY H H 78 8.330 8.655 -0.325 1
1 808 . 19 1 1 A 78 78 GLY HA2 H 78 4.135 4.328 -0.193 1
1 809 . 19 1 1 A 78 78 GLY HA3 H 78 4.135 4.336 -0.201 1
1 810 . 19 1 1 A 78 78 GLY C C 78 171.883 172.301 -0.418 1
1 811 . 19 1 1 A 78 78 GLY CA C 78 44.745 44.398 0.347 1
1 812 . 19 1 1 A 78 78 GLY N N 78 110.837 113.072 -2.235 1
1 813 . 19 1 1 A 79 79 PRO HA H 79 4.501 4.743 -0.242 1
1 820 . 19 1 1 A 79 79 PRO C C 79 177.463 175.446 2.017 1
1 821 . 19 1 1 A 79 79 PRO CA C 79 63.332 62.662 0.670 1
1 822 . 19 1 1 A 79 79 PRO CB C 79 32.229 31.551 0.678 1
1 825 . 19 1 1 A 80 80 SER H H 80 8.531 8.650 -0.119 1
1 826 . 19 1 1 A 80 80 SER HA H 80 4.521 4.884 -0.363 1
1 829 . 19 1 1 A 80 80 SER C C 80 174.760 173.037 1.723 1
1 830 . 19 1 1 A 80 80 SER CA C 80 58.398 56.972 1.426 1
1 831 . 19 1 1 A 80 80 SER CB C 80 63.978 64.699 -0.721 1
1 832 . 19 1 1 A 80 80 SER N N 80 116.479 119.005 -2.526 1
1 833 . 19 1 1 A 81 81 SER H H 81 8.358 8.962 -0.604 1
1 834 . 19 1 1 A 81 81 SER HA H 81 4.530 5.134 -0.604 1
1 837 . 19 1 1 A 81 81 SER C C 81 173.982 173.442 0.540 1
1 838 . 19 1 1 A 81 81 SER CA C 81 58.416 56.510 1.906 1
1 839 . 19 1 1 A 81 81 SER CB C 81 64.082 65.017 -0.935 1
1 840 . 19 1 1 A 81 81 SER N N 81 117.964 123.592 -5.628 1
1 1 . 20 1 1 A 9 9 HIS HA H 9 4.627 4.834 -0.207 1
1 5 . 20 1 1 A 9 9 HIS C C 9 175.239 174.843 0.396 1
1 6 . 20 1 1 A 9 9 HIS CA C 9 56.347 55.792 0.555 1
1 7 . 20 1 1 A 9 9 HIS CB C 9 30.681 29.226 1.455 1
1 9 . 20 1 1 A 10 10 GLN H H 10 8.313 8.665 -0.352 1
1 10 . 20 1 1 A 10 10 GLN HA H 10 4.323 4.709 -0.386 1
1 17 . 20 1 1 A 10 10 GLN C C 10 175.703 175.451 0.252 1
1 18 . 20 1 1 A 10 10 GLN CA C 10 55.875 54.271 1.604 1
1 19 . 20 1 1 A 10 10 GLN CB C 10 29.726 31.473 -1.747 1
1 21 . 20 1 1 A 10 10 GLN N N 10 122.031 123.522 -1.491 1
1 23 . 20 1 1 A 11 11 GLU H H 11 8.546 8.381 0.165 1
1 24 . 20 1 1 A 11 11 GLU HA H 11 4.275 4.114 0.161 1
1 29 . 20 1 1 A 11 11 GLU C C 11 176.303 178.073 -1.770 1
1 30 . 20 1 1 A 11 11 GLU CA C 11 56.472 57.422 -0.950 1
1 31 . 20 1 1 A 11 11 GLU CB C 11 30.303 30.828 -0.525 1
1 33 . 20 1 1 A 11 11 GLU N N 11 122.648 123.057 -0.409 1
1 34 . 20 1 1 A 12 12 ALA H H 12 8.403 8.615 -0.212 1
1 35 . 20 1 1 A 12 12 ALA HA H 12 4.288 3.981 0.307 1
1 39 . 20 1 1 A 12 12 ALA C C 12 178.231 177.813 0.418 1
1 40 . 20 1 1 A 12 12 ALA CA C 12 52.759 54.713 -1.954 1
1 41 . 20 1 1 A 12 12 ALA CB C 12 19.237 19.444 -0.207 1
1 42 . 20 1 1 A 12 12 ALA N N 12 125.516 129.188 -3.672 1
1 43 . 20 1 1 A 13 13 GLY H H 13 8.490 7.800 0.690 1
1 44 . 20 1 1 A 13 13 GLY HA2 H 13 3.994 4.032 -0.038 1
1 45 . 20 1 1 A 13 13 GLY HA3 H 13 3.890 4.037 -0.147 1
1 46 . 20 1 1 A 13 13 GLY C C 13 174.176 173.799 0.377 1
1 47 . 20 1 1 A 13 13 GLY CA C 13 45.094 45.681 -0.587 1
1 48 . 20 1 1 A 13 13 GLY N N 13 108.839 105.755 3.084 1
1 49 . 20 1 1 A 14 14 ALA H H 14 8.172 8.210 -0.038 1
1 50 . 20 1 1 A 14 14 ALA HA H 14 4.246 4.498 -0.252 1
1 54 . 20 1 1 A 14 14 ALA C C 14 178.304 177.005 1.299 1
1 55 . 20 1 1 A 14 14 ALA CA C 14 52.988 50.733 2.255 1
1 56 . 20 1 1 A 14 14 ALA CB C 14 19.228 19.149 0.079 1
1 57 . 20 1 1 A 14 14 ALA N N 14 123.459 125.438 -1.979 1
1 58 . 20 1 1 A 15 15 GLY H H 15 8.329 8.798 -0.469 1
1 59 . 20 1 1 A 15 15 GLY HA2 H 15 3.578 3.930 -0.352 1
1 60 . 20 1 1 A 15 15 GLY HA3 H 15 3.578 3.966 -0.388 1
1 61 . 20 1 1 A 15 15 GLY C C 15 173.577 173.957 -0.380 1
1 62 . 20 1 1 A 15 15 GLY CA C 15 45.128 46.462 -1.334 1
1 63 . 20 1 1 A 15 15 GLY N N 15 107.276 111.209 -3.933 1
1 64 . 20 1 1 A 16 16 ASP H H 16 7.898 8.405 -0.507 1
1 65 . 20 1 1 A 16 16 ASP HA H 16 4.547 4.779 -0.232 1
1 68 . 20 1 1 A 16 16 ASP C C 16 174.898 174.259 0.639 1
1 69 . 20 1 1 A 16 16 ASP CA C 16 54.344 53.147 1.197 1
1 70 . 20 1 1 A 16 16 ASP CB C 16 41.534 41.002 0.532 1
1 71 . 20 1 1 A 16 16 ASP N N 16 118.642 126.003 -7.361 1
1 72 . 20 1 1 A 17 17 LEU H H 17 7.822 7.467 0.355 1
1 73 . 20 1 1 A 17 17 LEU HA H 17 4.446 4.857 -0.411 1
1 83 . 20 1 1 A 17 17 LEU C C 17 175.902 175.927 -0.025 1
1 84 . 20 1 1 A 17 17 LEU CA C 17 53.128 52.919 0.209 1
1 85 . 20 1 1 A 17 17 LEU CB C 17 44.656 45.096 -0.440 1
1 89 . 20 1 1 A 17 17 LEU N N 17 119.654 120.470 -0.816 1
1 90 . 20 1 1 A 18 18 CYS H H 18 8.080 8.297 -0.217 1
1 91 . 20 1 1 A 18 18 CYS HA H 18 4.248 3.931 0.317 1
1 94 . 20 1 1 A 18 18 CYS C C 18 177.466 176.702 0.764 1
1 95 . 20 1 1 A 18 18 CYS CA C 18 58.398 59.663 -1.265 1
1 96 . 20 1 1 A 18 18 CYS CB C 18 31.990 27.877 4.113 1
1 97 . 20 1 1 A 18 18 CYS N N 18 123.013 124.310 -1.297 1
1 98 . 20 1 1 A 19 19 ALA H H 19 9.211 8.278 0.933 1
1 99 . 20 1 1 A 19 19 ALA HA H 19 4.172 4.235 -0.063 1
1 103 . 20 1 1 A 19 19 ALA C C 19 177.724 177.102 0.622 1
1 104 . 20 1 1 A 19 19 ALA CA C 19 54.327 52.099 2.228 1
1 105 . 20 1 1 A 19 19 ALA CB C 19 18.662 17.778 0.884 1
1 106 . 20 1 1 A 19 19 ALA N N 19 132.258 129.945 2.313 1
1 107 . 20 1 1 A 20 20 LEU H H 20 8.911 7.470 1.441 1
1 108 . 20 1 1 A 20 20 LEU HA H 20 4.736 4.445 0.291 1
1 118 . 20 1 1 A 20 20 LEU C C 20 177.779 178.083 -0.304 1
1 119 . 20 1 1 A 20 20 LEU CA C 20 56.935 56.264 0.671 1
1 120 . 20 1 1 A 20 20 LEU CB C 20 43.750 44.006 -0.256 1
1 124 . 20 1 1 A 20 20 LEU N N 20 119.770 117.908 1.862 1
1 125 . 20 1 1 A 21 21 CYS H H 21 8.159 8.068 0.091 1
1 126 . 20 1 1 A 21 21 CYS HA H 21 4.962 4.556 0.406 1
1 129 . 20 1 1 A 21 21 CYS C C 21 176.947 175.335 1.612 1
1 130 . 20 1 1 A 21 21 CYS CA C 21 59.137 59.611 -0.474 1
1 131 . 20 1 1 A 21 21 CYS CB C 21 31.728 29.418 2.310 1
1 132 . 20 1 1 A 21 21 CYS N N 21 116.713 113.416 3.297 1
1 133 . 20 1 1 A 22 22 GLY H H 22 8.088 8.148 -0.060 1
1 134 . 20 1 1 A 22 22 GLY HA2 H 22 4.160 3.931 0.229 1
1 135 . 20 1 1 A 22 22 GLY HA3 H 22 3.865 3.968 -0.103 1
1 136 . 20 1 1 A 22 22 GLY C C 22 173.190 173.862 -0.672 1
1 137 . 20 1 1 A 22 22 GLY CA C 22 46.556 45.539 1.017 1
1 138 . 20 1 1 A 22 22 GLY N N 22 112.000 110.140 1.860 1
1 139 . 20 1 1 A 23 23 GLU H H 23 8.378 7.846 0.532 1
1 140 . 20 1 1 A 23 23 GLU HA H 23 4.712 4.828 -0.116 1
1 145 . 20 1 1 A 23 23 GLU C C 23 176.434 175.565 0.869 1
1 146 . 20 1 1 A 23 23 GLU CA C 23 55.014 54.357 0.657 1
1 147 . 20 1 1 A 23 23 GLU CB C 23 31.557 33.059 -1.502 1
1 149 . 20 1 1 A 23 23 GLU N N 23 118.877 119.143 -0.266 1
1 150 . 20 1 1 A 24 24 HIS H H 24 8.666 8.890 -0.224 1
1 151 . 20 1 1 A 24 24 HIS HA H 24 4.333 4.562 -0.229 1
1 156 . 20 1 1 A 24 24 HIS C C 24 175.281 174.100 1.181 1
1 157 . 20 1 1 A 24 24 HIS CA C 24 58.186 57.831 0.355 1
1 158 . 20 1 1 A 24 24 HIS CB C 24 30.099 30.742 -0.643 1
1 161 . 20 1 1 A 24 24 HIS N N 24 118.732 121.834 -3.102 1
1 162 . 20 1 1 A 25 25 LEU H H 25 7.928 8.148 -0.220 1
1 163 . 20 1 1 A 25 25 LEU HA H 25 4.174 5.252 -1.078 1
1 173 . 20 1 1 A 25 25 LEU C C 25 175.186 175.611 -0.425 1
1 174 . 20 1 1 A 25 25 LEU CA C 25 53.992 53.831 0.161 1
1 175 . 20 1 1 A 25 25 LEU CB C 25 43.742 44.782 -1.040 1
1 179 . 20 1 1 A 25 25 LEU N N 25 125.590 126.529 -0.939 1
1 180 . 20 1 1 A 26 26 TYR H H 26 8.768 9.019 -0.251 1
1 181 . 20 1 1 A 26 26 TYR HA H 26 4.651 4.907 -0.256 1
1 188 . 20 1 1 A 26 26 TYR C C 26 177.267 176.221 1.046 1
1 189 . 20 1 1 A 26 26 TYR CA C 26 57.270 56.564 0.706 1
1 190 . 20 1 1 A 26 26 TYR CB C 26 38.210 40.384 -2.174 1
1 195 . 20 1 1 A 26 26 TYR N N 26 123.119 123.997 -0.878 1
1 196 . 20 1 1 A 27 27 VAL H H 27 8.086 7.730 0.356 1
1 197 . 20 1 1 A 27 27 VAL HA H 27 3.809 3.598 0.211 1
1 205 . 20 1 1 A 27 27 VAL C C 27 176.958 177.038 -0.080 1
1 206 . 20 1 1 A 27 27 VAL CA C 27 64.551 66.389 -1.838 1
1 207 . 20 1 1 A 27 27 VAL CB C 27 31.788 31.711 0.077 1
1 210 . 20 1 1 A 27 27 VAL N N 27 121.055 122.693 -1.638 1
1 211 . 20 1 1 A 28 28 LEU H H 28 7.665 8.018 -0.353 1
1 212 . 20 1 1 A 28 28 LEU HA H 28 4.285 4.488 -0.203 1
1 222 . 20 1 1 A 28 28 LEU C C 28 177.710 177.355 0.355 1
1 223 . 20 1 1 A 28 28 LEU CA C 28 56.297 54.763 1.534 1
1 224 . 20 1 1 A 28 28 LEU CB C 28 41.998 42.100 -0.102 1
1 228 . 20 1 1 A 28 28 LEU N N 28 119.062 118.989 0.073 1
1 229 . 20 1 1 A 29 29 GLU H H 29 7.961 8.102 -0.141 1
1 230 . 20 1 1 A 29 29 GLU HA H 29 4.479 4.510 -0.031 1
1 235 . 20 1 1 A 29 29 GLU C C 29 175.755 176.294 -0.539 1
1 236 . 20 1 1 A 29 29 GLU CA C 29 56.248 57.264 -1.016 1
1 237 . 20 1 1 A 29 29 GLU CB C 29 30.550 32.645 -2.095 1
1 239 . 20 1 1 A 29 29 GLU N N 29 117.067 118.026 -0.959 1
1 240 . 20 1 1 A 30 30 ARG H H 30 7.724 7.335 0.389 1
1 241 . 20 1 1 A 30 30 ARG HA H 30 4.688 4.575 0.113 1
1 248 . 20 1 1 A 30 30 ARG C C 30 174.546 176.217 -1.671 1
1 249 . 20 1 1 A 30 30 ARG CA C 30 55.948 56.499 -0.551 1
1 250 . 20 1 1 A 30 30 ARG CB C 30 33.034 30.686 2.348 1
1 253 . 20 1 1 A 30 30 ARG N N 30 120.305 118.735 1.570 1
1 254 . 20 1 1 A 31 31 LEU H H 31 8.970 9.353 -0.383 1
1 255 . 20 1 1 A 31 31 LEU HA H 31 4.635 4.852 -0.217 1
1 265 . 20 1 1 A 31 31 LEU C C 31 174.536 175.672 -1.136 1
1 266 . 20 1 1 A 31 31 LEU CA C 31 54.168 53.799 0.369 1
1 267 . 20 1 1 A 31 31 LEU CB C 31 45.021 42.243 2.778 1
1 271 . 20 1 1 A 31 31 LEU N N 31 124.553 125.579 -1.026 1
1 272 . 20 1 1 A 32 32 CYS H H 32 8.558 8.710 -0.152 1
1 273 . 20 1 1 A 32 32 CYS HA H 32 4.954 4.238 0.716 1
1 276 . 20 1 1 A 32 32 CYS C C 32 174.418 174.160 0.258 1
1 277 . 20 1 1 A 32 32 CYS CA C 32 56.874 58.903 -2.029 1
1 278 . 20 1 1 A 32 32 CYS CB C 32 28.054 27.699 0.355 1
1 279 . 20 1 1 A 32 32 CYS N N 32 124.126 124.422 -0.296 1
1 280 . 20 1 1 A 33 33 VAL H H 33 8.893 8.993 -0.100 1
1 281 . 20 1 1 A 33 33 VAL HA H 33 4.103 4.512 -0.409 1
1 289 . 20 1 1 A 33 33 VAL C C 33 175.525 176.076 -0.551 1
1 290 . 20 1 1 A 33 33 VAL CA C 33 61.551 61.182 0.369 1
1 291 . 20 1 1 A 33 33 VAL CB C 33 34.027 33.884 0.143 1
1 294 . 20 1 1 A 33 33 VAL N N 33 129.037 125.647 3.390 1
1 295 . 20 1 1 A 34 34 ASN HA H 34 4.389 4.440 -0.051 1
1 300 . 20 1 1 A 34 34 ASN C C 34 174.946 175.364 -0.418 1
1 301 . 20 1 1 A 34 34 ASN CA C 34 53.922 54.793 -0.871 1
1 302 . 20 1 1 A 34 34 ASN CB C 34 37.332 37.276 0.056 1
1 304 . 20 1 1 A 35 35 GLY H H 35 7.896 8.122 -0.226 1
1 305 . 20 1 1 A 35 35 GLY HA2 H 35 3.891 3.658 0.233 1
1 306 . 20 1 1 A 35 35 GLY HA3 H 35 3.180 3.684 -0.504 1
1 307 . 20 1 1 A 35 35 GLY C C 35 172.892 173.968 -1.076 1
1 308 . 20 1 1 A 35 35 GLY CA C 35 45.290 45.061 0.229 1
1 309 . 20 1 1 A 35 35 GLY N N 35 102.630 104.788 -2.158 1
1 310 . 20 1 1 A 36 36 HIS H H 36 7.694 7.435 0.259 1
1 311 . 20 1 1 A 36 36 HIS HA H 36 4.433 4.457 -0.024 1
1 315 . 20 1 1 A 36 36 HIS C C 36 172.910 174.831 -1.921 1
1 316 . 20 1 1 A 36 36 HIS CA C 36 54.433 56.402 -1.969 1
1 317 . 20 1 1 A 36 36 HIS CB C 36 32.464 30.644 1.820 1
1 319 . 20 1 1 A 36 36 HIS N N 36 119.651 118.677 0.974 1
1 320 . 20 1 1 A 37 37 PHE H H 37 8.502 9.158 -0.656 1
1 321 . 20 1 1 A 37 37 PHE HA H 37 5.314 5.573 -0.259 1
1 329 . 20 1 1 A 37 37 PHE C C 37 174.239 174.604 -0.365 1
1 330 . 20 1 1 A 37 37 PHE CA C 37 56.424 56.477 -0.053 1
1 331 . 20 1 1 A 37 37 PHE CB C 37 41.572 41.786 -0.214 1
1 337 . 20 1 1 A 37 37 PHE N N 37 119.583 121.767 -2.184 1
1 338 . 20 1 1 A 38 38 PHE H H 38 8.664 9.272 -0.608 1
1 339 . 20 1 1 A 38 38 PHE HA H 38 5.866 5.024 0.842 1
1 347 . 20 1 1 A 38 38 PHE C C 38 177.496 175.130 2.366 1
1 348 . 20 1 1 A 38 38 PHE CA C 38 55.296 56.404 -1.108 1
1 349 . 20 1 1 A 38 38 PHE CB C 38 44.392 43.544 0.848 1
1 355 . 20 1 1 A 38 38 PHE N N 38 116.719 119.457 -2.738 1
1 356 . 20 1 1 A 39 39 HIS H H 39 8.854 8.559 0.295 1
1 357 . 20 1 1 A 39 39 HIS HA H 39 4.675 4.822 -0.147 1
1 362 . 20 1 1 A 39 39 HIS C C 39 178.476 176.523 1.953 1
1 363 . 20 1 1 A 39 39 HIS CA C 39 59.297 56.425 2.872 1
1 364 . 20 1 1 A 39 39 HIS CB C 39 30.980 30.914 0.066 1
1 367 . 20 1 1 A 39 39 HIS N N 39 120.015 119.271 0.744 1
1 368 . 20 1 1 A 40 40 ARG H H 40 9.256 9.448 -0.192 1
1 369 . 20 1 1 A 40 40 ARG HA H 40 3.965 4.231 -0.266 1
1 376 . 20 1 1 A 40 40 ARG C C 40 179.459 176.797 2.662 1
1 377 . 20 1 1 A 40 40 ARG CA C 40 60.547 57.975 2.572 1
1 378 . 20 1 1 A 40 40 ARG CB C 40 29.598 30.154 -0.556 1
1 381 . 20 1 1 A 40 40 ARG N N 40 126.206 123.969 2.237 1
1 382 . 20 1 1 A 41 41 SER H H 41 8.643 8.011 0.632 1
1 383 . 20 1 1 A 41 41 SER HA H 41 4.221 4.644 -0.423 1
1 386 . 20 1 1 A 41 41 SER C C 41 175.499 176.526 -1.027 1
1 387 . 20 1 1 A 41 41 SER CA C 41 60.160 60.178 -0.018 1
1 388 . 20 1 1 A 41 41 SER CB C 41 62.847 64.225 -1.378 1
1 389 . 20 1 1 A 41 41 SER N N 41 109.970 114.479 -4.509 1
1 390 . 20 1 1 A 42 42 CYS H H 42 7.427 8.480 -1.053 1
1 391 . 20 1 1 A 42 42 CYS HA H 42 4.306 4.067 0.239 1
1 394 . 20 1 1 A 42 42 CYS C C 42 174.200 176.362 -2.162 1
1 395 . 20 1 1 A 42 42 CYS CA C 42 61.569 63.656 -2.087 1
1 396 . 20 1 1 A 42 42 CYS CB C 42 30.945 27.119 3.826 1
1 397 . 20 1 1 A 42 42 CYS N N 42 118.020 119.510 -1.490 1
1 398 . 20 1 1 A 43 43 PHE H H 43 7.257 7.372 -0.115 1
1 399 . 20 1 1 A 43 43 PHE HA H 43 4.122 4.272 -0.150 1
1 407 . 20 1 1 A 43 43 PHE C C 43 172.037 174.327 -2.290 1
1 408 . 20 1 1 A 43 43 PHE CA C 43 57.112 57.447 -0.335 1
1 409 . 20 1 1 A 43 43 PHE CB C 43 37.448 38.150 -0.702 1
1 415 . 20 1 1 A 43 43 PHE N N 43 122.965 121.073 1.892 1
1 416 . 20 1 1 A 44 44 ARG H H 44 7.110 8.421 -1.311 1
1 417 . 20 1 1 A 44 44 ARG HA H 44 4.821 5.013 -0.192 1
1 424 . 20 1 1 A 44 44 ARG C C 44 174.097 175.224 -1.127 1
1 425 . 20 1 1 A 44 44 ARG CA C 44 53.323 53.681 -0.358 1
1 426 . 20 1 1 A 44 44 ARG CB C 44 34.911 33.898 1.013 1
1 429 . 20 1 1 A 44 44 ARG N N 44 123.199 125.963 -2.764 1
1 430 . 20 1 1 A 45 45 CYS H H 45 8.580 8.605 -0.025 1
1 431 . 20 1 1 A 45 45 CYS HA H 45 4.055 4.648 -0.593 1
1 434 . 20 1 1 A 45 45 CYS C C 45 177.493 175.344 2.149 1
1 435 . 20 1 1 A 45 45 CYS CA C 45 59.878 59.826 0.052 1
1 436 . 20 1 1 A 45 45 CYS CB C 45 32.052 29.026 3.026 1
1 437 . 20 1 1 A 45 45 CYS N N 45 121.527 121.005 0.522 1
1 438 . 20 1 1 A 46 46 HIS H H 46 9.187 8.753 0.434 1
1 439 . 20 1 1 A 46 46 HIS HA H 46 4.184 4.570 -0.386 1
1 443 . 20 1 1 A 46 46 HIS C C 46 175.000 176.249 -1.249 1
1 444 . 20 1 1 A 46 46 HIS CA C 46 59.137 57.246 1.891 1
1 445 . 20 1 1 A 46 46 HIS CB C 46 29.560 30.662 -1.102 1
1 447 . 20 1 1 A 46 46 HIS N N 46 130.205 125.428 4.777 1
1 448 . 20 1 1 A 47 47 THR H H 47 8.848 7.607 1.241 1
1 449 . 20 1 1 A 47 47 THR HA H 47 4.134 4.348 -0.214 1
1 454 . 20 1 1 A 47 47 THR C C 47 174.926 176.012 -1.086 1
1 455 . 20 1 1 A 47 47 THR CA C 47 65.535 63.734 1.801 1
1 456 . 20 1 1 A 47 47 THR CB C 47 70.010 70.617 -0.607 1
1 458 . 20 1 1 A 47 47 THR N N 47 116.066 111.672 4.394 1
1 459 . 20 1 1 A 48 48 CYS H H 48 8.181 8.230 -0.049 1
1 460 . 20 1 1 A 48 48 CYS HA H 48 4.821 4.574 0.247 1
1 463 . 20 1 1 A 48 48 CYS C C 48 176.004 174.717 1.287 1
1 464 . 20 1 1 A 48 48 CYS CA C 48 59.050 58.265 0.785 1
1 465 . 20 1 1 A 48 48 CYS CB C 48 32.944 28.734 4.210 1
1 466 . 20 1 1 A 48 48 CYS N N 48 119.626 116.025 3.601 1
1 467 . 20 1 1 A 49 49 GLU H H 49 8.081 8.046 0.035 1
1 468 . 20 1 1 A 49 49 GLU HA H 49 3.865 4.276 -0.411 1
1 473 . 20 1 1 A 49 49 GLU C C 49 174.137 175.017 -0.880 1
1 474 . 20 1 1 A 49 49 GLU CA C 49 58.732 57.475 1.257 1
1 475 . 20 1 1 A 49 49 GLU CB C 49 27.345 27.289 0.056 1
1 477 . 20 1 1 A 49 49 GLU N N 49 116.307 116.959 -0.652 1
1 478 . 20 1 1 A 50 50 ALA H H 50 8.498 7.845 0.653 1
1 479 . 20 1 1 A 50 50 ALA HA H 50 4.388 4.565 -0.177 1
1 483 . 20 1 1 A 50 50 ALA C C 50 178.362 176.901 1.461 1
1 484 . 20 1 1 A 50 50 ALA CA C 50 53.111 50.765 2.346 1
1 485 . 20 1 1 A 50 50 ALA CB C 50 20.334 20.399 -0.065 1
1 486 . 20 1 1 A 50 50 ALA N N 50 124.211 120.611 3.600 1
1 487 . 20 1 1 A 51 51 THR H H 51 8.470 8.453 0.017 1
1 488 . 20 1 1 A 51 51 THR HA H 51 3.811 3.900 -0.089 1
1 493 . 20 1 1 A 51 51 THR C C 51 173.931 173.625 0.306 1
1 494 . 20 1 1 A 51 51 THR CA C 51 64.345 63.611 0.734 1
1 495 . 20 1 1 A 51 51 THR CB C 51 69.428 68.063 1.365 1
1 497 . 20 1 1 A 51 51 THR N N 51 117.025 117.260 -0.235 1
1 498 . 20 1 1 A 52 52 LEU H H 52 7.421 8.279 -0.858 1
1 499 . 20 1 1 A 52 52 LEU HA H 52 4.439 4.391 0.048 1
1 509 . 20 1 1 A 52 52 LEU C C 52 175.390 175.432 -0.042 1
1 510 . 20 1 1 A 52 52 LEU CA C 52 53.728 54.456 -0.728 1
1 511 . 20 1 1 A 52 52 LEU CB C 52 42.020 40.876 1.144 1
1 515 . 20 1 1 A 52 52 LEU N N 52 125.339 127.959 -2.620 1
1 516 . 20 1 1 A 53 53 TRP H H 53 8.089 7.845 0.244 1
1 517 . 20 1 1 A 53 53 TRP HA H 53 5.148 4.601 0.547 1
1 526 . 20 1 1 A 53 53 TRP C C 53 173.534 176.616 -3.082 1
1 527 . 20 1 1 A 53 53 TRP CA C 53 54.345 56.934 -2.589 1
1 528 . 20 1 1 A 53 53 TRP CB C 53 30.134 29.381 0.753 1
1 534 . 20 1 1 A 53 53 TRP N N 53 120.731 126.581 -5.850 1
1 536 . 20 1 1 A 54 54 PRO HA H 54 4.553 4.475 0.078 1
1 543 . 20 1 1 A 54 54 PRO CA C 54 64.882 63.998 0.884 1
1 544 . 20 1 1 A 54 54 PRO CB C 54 31.969 31.474 0.495 1
1 547 . 20 1 1 A 55 55 GLY HA2 H 55 4.330 4.133 0.197 1
1 548 . 20 1 1 A 55 55 GLY HA3 H 55 3.795 4.154 -0.359 1
1 549 . 20 1 1 A 55 55 GLY C C 55 175.195 173.980 1.215 1
1 550 . 20 1 1 A 55 55 GLY CA C 55 45.586 45.776 -0.190 1
1 551 . 20 1 1 A 56 56 GLY H H 56 8.653 7.400 1.253 1
1 552 . 20 1 1 A 56 56 GLY HA2 H 56 4.567 4.247 0.320 1
1 553 . 20 1 1 A 56 56 GLY HA3 H 56 3.380 4.321 -0.941 1
1 554 . 20 1 1 A 56 56 GLY C C 56 174.377 172.878 1.499 1
1 555 . 20 1 1 A 56 56 GLY CA C 56 45.237 45.822 -0.585 1
1 556 . 20 1 1 A 56 56 GLY N N 56 107.803 107.285 0.518 1
1 557 . 20 1 1 A 57 57 TYR H H 57 7.269 7.981 -0.712 1
1 558 . 20 1 1 A 57 57 TYR HA H 57 5.600 5.270 0.330 1
1 565 . 20 1 1 A 57 57 TYR C C 57 173.258 173.604 -0.346 1
1 566 . 20 1 1 A 57 57 TYR CA C 57 55.666 56.387 -0.721 1
1 567 . 20 1 1 A 57 57 TYR CB C 57 44.451 40.847 3.604 1
1 572 . 20 1 1 A 57 57 TYR N N 57 116.315 115.858 0.457 1
1 573 . 20 1 1 A 58 58 GLU H H 58 8.948 9.072 -0.124 1
1 574 . 20 1 1 A 58 58 GLU HA H 58 4.546 4.768 -0.222 1
1 579 . 20 1 1 A 58 58 GLU C C 58 174.242 174.529 -0.287 1
1 580 . 20 1 1 A 58 58 GLU CA C 58 55.790 55.335 0.455 1
1 581 . 20 1 1 A 58 58 GLU CB C 58 35.177 34.670 0.507 1
1 583 . 20 1 1 A 58 58 GLU N N 58 117.931 119.180 -1.249 1
1 584 . 20 1 1 A 59 59 GLN H H 59 9.205 8.840 0.365 1
1 585 . 20 1 1 A 59 59 GLN HA H 59 4.760 4.977 -0.217 1
1 592 . 20 1 1 A 59 59 GLN C C 59 175.807 175.205 0.602 1
1 593 . 20 1 1 A 59 59 GLN CA C 59 53.904 54.120 -0.216 1
1 594 . 20 1 1 A 59 59 GLN CB C 59 29.530 29.744 -0.214 1
1 596 . 20 1 1 A 59 59 GLN N N 59 123.928 123.285 0.643 1
1 598 . 20 1 1 A 60 60 HIS H H 60 9.330 9.067 0.263 1
1 599 . 20 1 1 A 60 60 HIS HA H 60 4.945 4.458 0.487 1
1 604 . 20 1 1 A 60 60 HIS C C 60 175.428 175.481 -0.053 1
1 605 . 20 1 1 A 60 60 HIS CA C 60 54.556 55.201 -0.645 1
1 606 . 20 1 1 A 60 60 HIS CB C 60 32.329 31.040 1.289 1
1 609 . 20 1 1 A 60 60 HIS N N 60 131.634 127.346 4.288 1
1 610 . 20 1 1 A 61 61 PRO HA H 61 4.269 4.097 0.172 1
1 617 . 20 1 1 A 61 61 PRO CA C 61 64.043 65.194 -1.151 1
1 618 . 20 1 1 A 61 61 PRO CB C 61 31.752 31.830 -0.078 1
1 621 . 20 1 1 A 62 62 GLY H H 62 7.210 8.197 -0.987 1
1 622 . 20 1 1 A 62 62 GLY HA2 H 62 3.928 3.753 0.175 1
1 623 . 20 1 1 A 62 62 GLY HA3 H 62 3.666 3.908 -0.242 1
1 624 . 20 1 1 A 62 62 GLY CA C 62 46.610 47.253 -0.643 1
1 625 . 20 1 1 A 62 62 GLY N N 62 105.065 106.248 -1.183 1
1 626 . 20 1 1 A 63 63 ASP H H 63 8.237 8.020 0.217 1
1 627 . 20 1 1 A 63 63 ASP HA H 63 4.648 4.572 0.076 1
1 630 . 20 1 1 A 63 63 ASP C C 63 177.303 176.017 1.286 1
1 631 . 20 1 1 A 63 63 ASP CA C 63 53.182 55.293 -2.111 1
1 632 . 20 1 1 A 63 63 ASP CB C 63 42.216 41.585 0.631 1
1 633 . 20 1 1 A 63 63 ASP N N 63 118.685 120.830 -2.145 1
1 634 . 20 1 1 A 64 64 GLY H H 64 8.315 7.680 0.635 1
1 635 . 20 1 1 A 64 64 GLY HA2 H 64 3.900 3.863 0.037 1
1 636 . 20 1 1 A 64 64 GLY HA3 H 64 3.635 3.910 -0.275 1
1 637 . 20 1 1 A 64 64 GLY C C 64 174.457 173.511 0.946 1
1 638 . 20 1 1 A 64 64 GLY CA C 64 46.004 45.176 0.828 1
1 639 . 20 1 1 A 64 64 GLY N N 64 109.742 106.036 3.706 1
1 640 . 20 1 1 A 65 65 HIS H H 65 9.101 7.921 1.180 1
1 641 . 20 1 1 A 65 65 HIS HA H 65 4.675 4.882 -0.207 1
1 645 . 20 1 1 A 65 65 HIS C C 65 173.603 173.385 0.218 1
1 646 . 20 1 1 A 65 65 HIS CA C 65 55.208 54.717 0.491 1
1 647 . 20 1 1 A 65 65 HIS CB C 65 30.321 33.986 -3.665 1
1 649 . 20 1 1 A 65 65 HIS N N 65 121.111 116.894 4.217 1
1 650 . 20 1 1 A 66 66 PHE H H 66 8.841 8.491 0.350 1
1 651 . 20 1 1 A 66 66 PHE HA H 66 5.005 5.350 -0.345 1
1 659 . 20 1 1 A 66 66 PHE C C 66 174.272 174.329 -0.057 1
1 660 . 20 1 1 A 66 66 PHE CA C 66 57.904 56.270 1.634 1
1 661 . 20 1 1 A 66 66 PHE CB C 66 40.990 41.454 -0.464 1
1 667 . 20 1 1 A 66 66 PHE N N 66 118.465 117.475 0.990 1
1 668 . 20 1 1 A 67 67 TYR H H 67 8.714 9.417 -0.703 1
1 669 . 20 1 1 A 67 67 TYR HA H 67 5.676 5.255 0.421 1
1 676 . 20 1 1 A 67 67 TYR C C 67 176.345 175.904 0.441 1
1 677 . 20 1 1 A 67 67 TYR CA C 67 56.829 56.559 0.270 1
1 678 . 20 1 1 A 67 67 TYR CB C 67 43.668 43.346 0.322 1
1 683 . 20 1 1 A 67 67 TYR N N 67 117.828 121.044 -3.216 1
1 684 . 20 1 1 A 68 68 CYS H H 68 9.524 8.712 0.812 1
1 685 . 20 1 1 A 68 68 CYS HA H 68 5.152 4.955 0.197 1
1 688 . 20 1 1 A 68 68 CYS C C 68 176.563 176.416 0.147 1
1 689 . 20 1 1 A 68 68 CYS CA C 68 58.468 58.115 0.353 1
1 690 . 20 1 1 A 68 68 CYS CB C 68 29.373 29.633 -0.260 1
1 691 . 20 1 1 A 68 68 CYS N N 68 120.631 120.484 0.147 1
1 692 . 20 1 1 A 69 69 LEU H H 69 7.630 8.774 -1.144 1
1 693 . 20 1 1 A 69 69 LEU HA H 69 3.952 4.396 -0.444 1
1 703 . 20 1 1 A 69 69 LEU C C 69 179.373 176.793 2.580 1
1 704 . 20 1 1 A 69 69 LEU CA C 69 58.080 55.274 2.806 1
1 705 . 20 1 1 A 69 69 LEU CB C 69 40.125 41.346 -1.221 1
1 709 . 20 1 1 A 69 69 LEU N N 69 117.279 122.096 -4.817 1
1 710 . 20 1 1 A 70 70 GLN H H 70 8.159 8.319 -0.160 1
1 711 . 20 1 1 A 70 70 GLN HA H 70 4.106 4.679 -0.573 1
1 718 . 20 1 1 A 70 70 GLN C C 70 177.094 177.039 0.055 1
1 719 . 20 1 1 A 70 70 GLN CA C 70 57.781 56.396 1.385 1
1 720 . 20 1 1 A 70 70 GLN CB C 70 28.537 31.055 -2.518 1
1 722 . 20 1 1 A 70 70 GLN N N 70 115.749 119.438 -3.689 1
1 724 . 20 1 1 A 71 71 HIS H H 71 7.651 7.726 -0.075 1
1 725 . 20 1 1 A 71 71 HIS HA H 71 4.917 4.787 0.130 1
1 730 . 20 1 1 A 71 71 HIS C C 71 173.431 174.959 -1.528 1
1 731 . 20 1 1 A 71 71 HIS CA C 71 56.142 56.122 0.020 1
1 732 . 20 1 1 A 71 71 HIS CB C 71 33.010 31.728 1.282 1
1 735 . 20 1 1 A 71 71 HIS N N 71 116.846 115.438 1.408 1
1 736 . 20 1 1 A 72 72 LEU H H 72 7.154 7.569 -0.415 1
1 737 . 20 1 1 A 72 72 LEU HA H 72 3.772 4.208 -0.436 1
1 747 . 20 1 1 A 72 72 LEU C C 72 174.748 175.073 -0.325 1
1 748 . 20 1 1 A 72 72 LEU CA C 72 53.499 53.344 0.155 1
1 749 . 20 1 1 A 72 72 LEU CB C 72 42.729 43.000 -0.271 1
1 753 . 20 1 1 A 72 72 LEU N N 72 124.029 122.194 1.835 1
1 754 . 20 1 1 A 73 73 PRO HA H 73 4.145 4.470 -0.325 1
1 761 . 20 1 1 A 73 73 PRO C C 73 175.785 175.488 0.297 1
1 762 . 20 1 1 A 73 73 PRO CA C 73 63.050 62.126 0.924 1
1 763 . 20 1 1 A 73 73 PRO CB C 73 32.055 32.526 -0.471 1
1 766 . 20 1 1 A 74 74 GLN H H 74 8.359 8.602 -0.243 1
1 767 . 20 1 1 A 74 74 GLN HA H 74 4.386 4.949 -0.563 1
1 774 . 20 1 1 A 74 74 GLN C C 74 176.731 174.441 2.290 1
1 775 . 20 1 1 A 74 74 GLN CA C 74 55.526 54.730 0.796 1
1 776 . 20 1 1 A 74 74 GLN CB C 74 29.817 32.902 -3.085 1
1 778 . 20 1 1 A 74 74 GLN N N 74 120.467 118.592 1.875 1
1 780 . 20 1 1 A 75 75 THR H H 75 8.368 8.991 -0.623 1
1 781 . 20 1 1 A 75 75 THR HA H 75 4.390 4.689 -0.299 1
1 786 . 20 1 1 A 75 75 THR C C 75 174.257 174.762 -0.505 1
1 787 . 20 1 1 A 75 75 THR CA C 75 61.993 60.972 1.021 1
1 788 . 20 1 1 A 75 75 THR CB C 75 69.991 69.159 0.832 1
1 790 . 20 1 1 A 75 75 THR N N 75 116.318 118.988 -2.670 1
1 791 . 20 1 1 A 76 76 ASP H H 76 8.528 8.182 0.346 1
1 792 . 20 1 1 A 76 76 ASP HA H 76 4.700 4.936 -0.236 1
1 795 . 20 1 1 A 76 76 ASP C C 76 176.200 175.232 0.968 1
1 796 . 20 1 1 A 76 76 ASP CA C 76 54.363 54.291 0.072 1
1 797 . 20 1 1 A 76 76 ASP CB C 76 41.362 42.941 -1.579 1
1 798 . 20 1 1 A 76 76 ASP N N 76 123.204 121.003 2.201 1
1 799 . 20 1 1 A 77 77 SER H H 77 8.346 7.963 0.383 1
1 800 . 20 1 1 A 77 77 SER HA H 77 4.497 4.894 -0.397 1
1 803 . 20 1 1 A 77 77 SER C C 77 174.724 173.008 1.716 1
1 804 . 20 1 1 A 77 77 SER CA C 77 58.451 56.308 2.143 1
1 805 . 20 1 1 A 77 77 SER CB C 77 64.101 65.201 -1.100 1
1 806 . 20 1 1 A 77 77 SER N N 77 116.515 114.158 2.357 1
1 807 . 20 1 1 A 78 78 GLY H H 78 8.330 8.339 -0.009 1
1 808 . 20 1 1 A 78 78 GLY HA2 H 78 4.135 4.247 -0.112 1
1 809 . 20 1 1 A 78 78 GLY HA3 H 78 4.135 4.247 -0.112 1
1 810 . 20 1 1 A 78 78 GLY C C 78 171.883 173.961 -2.078 1
1 811 . 20 1 1 A 78 78 GLY CA C 78 44.745 45.458 -0.713 1
1 812 . 20 1 1 A 78 78 GLY N N 78 110.837 113.365 -2.528 1
1 813 . 20 1 1 A 79 79 PRO HA H 79 4.501 4.446 0.055 1
1 820 . 20 1 1 A 79 79 PRO C C 79 177.463 177.428 0.035 1
1 821 . 20 1 1 A 79 79 PRO CA C 79 63.332 63.973 -0.641 1
1 822 . 20 1 1 A 79 79 PRO CB C 79 32.229 31.914 0.315 1
1 825 . 20 1 1 A 80 80 SER H H 80 8.531 8.415 0.116 1
1 826 . 20 1 1 A 80 80 SER HA H 80 4.521 4.170 0.351 1
1 829 . 20 1 1 A 80 80 SER C C 80 174.760 176.492 -1.732 1
1 830 . 20 1 1 A 80 80 SER CA C 80 58.398 61.639 -3.241 1
1 831 . 20 1 1 A 80 80 SER CB C 80 63.978 62.618 1.360 1
1 832 . 20 1 1 A 80 80 SER N N 80 116.479 114.551 1.928 1
1 833 . 20 1 1 A 81 81 SER H H 81 8.358 7.897 0.461 1
1 834 . 20 1 1 A 81 81 SER HA H 81 4.530 4.176 0.354 1
1 837 . 20 1 1 A 81 81 SER C C 81 173.982 175.419 -1.437 1
1 838 . 20 1 1 A 81 81 SER CA C 81 58.416 60.011 -1.595 1
1 839 . 20 1 1 A 81 81 SER CB C 81 64.082 64.080 0.002 1
1 840 . 20 1 1 A 81 81 SER N N 81 117.964 114.790 3.174 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 70 1.170 1
2 1 1 1 "RMS(OBS, PRED)" CA 73 1.241 1
3 1 1 1 "RMS(OBS, PRED)" CB 64 1.753 1
4 1 1 1 "RMS(OBS, PRED)" H 66 0.512 1
5 1 1 1 "RMS(OBS, PRED)" HA 82 0.371 1
6 1 1 1 "RMS(OBS, PRED)" N 66 2.727 1
7 1 2 1 "RMS(OBS, PRED)" C 70 1.251 1
8 1 2 1 "RMS(OBS, PRED)" CA 73 1.294 1
9 1 2 1 "RMS(OBS, PRED)" CB 64 1.773 1
10 1 2 1 "RMS(OBS, PRED)" H 66 0.529 1
11 1 2 1 "RMS(OBS, PRED)" HA 82 0.381 1
12 1 2 1 "RMS(OBS, PRED)" N 66 2.740 1
13 1 3 1 "RMS(OBS, PRED)" C 70 1.204 1
14 1 3 1 "RMS(OBS, PRED)" CA 73 1.312 1
15 1 3 1 "RMS(OBS, PRED)" CB 64 1.655 1
16 1 3 1 "RMS(OBS, PRED)" H 66 0.582 1
17 1 3 1 "RMS(OBS, PRED)" HA 82 0.365 1
18 1 3 1 "RMS(OBS, PRED)" N 66 2.812 1
19 1 4 1 "RMS(OBS, PRED)" C 70 1.162 1
20 1 4 1 "RMS(OBS, PRED)" CA 73 1.281 1
21 1 4 1 "RMS(OBS, PRED)" CB 64 1.737 1
22 1 4 1 "RMS(OBS, PRED)" H 66 0.524 1
23 1 4 1 "RMS(OBS, PRED)" HA 82 0.371 1
24 1 4 1 "RMS(OBS, PRED)" N 66 2.667 1
25 1 5 1 "RMS(OBS, PRED)" C 70 1.280 1
26 1 5 1 "RMS(OBS, PRED)" CA 73 1.438 1
27 1 5 1 "RMS(OBS, PRED)" CB 64 1.760 1
28 1 5 1 "RMS(OBS, PRED)" H 66 0.591 1
29 1 5 1 "RMS(OBS, PRED)" HA 82 0.383 1
30 1 5 1 "RMS(OBS, PRED)" N 66 2.819 1
31 1 6 1 "RMS(OBS, PRED)" C 70 1.219 1
32 1 6 1 "RMS(OBS, PRED)" CA 73 1.229 1
33 1 6 1 "RMS(OBS, PRED)" CB 64 1.668 1
34 1 6 1 "RMS(OBS, PRED)" H 66 0.546 1
35 1 6 1 "RMS(OBS, PRED)" HA 82 0.358 1
36 1 6 1 "RMS(OBS, PRED)" N 66 2.643 1
37 1 7 1 "RMS(OBS, PRED)" C 70 1.288 1
38 1 7 1 "RMS(OBS, PRED)" CA 73 1.269 1
39 1 7 1 "RMS(OBS, PRED)" CB 64 1.562 1
40 1 7 1 "RMS(OBS, PRED)" H 66 0.586 1
41 1 7 1 "RMS(OBS, PRED)" HA 82 0.336 1
42 1 7 1 "RMS(OBS, PRED)" N 66 2.658 1
43 1 8 1 "RMS(OBS, PRED)" C 70 1.303 1
44 1 8 1 "RMS(OBS, PRED)" CA 73 1.325 1
45 1 8 1 "RMS(OBS, PRED)" CB 64 1.653 1
46 1 8 1 "RMS(OBS, PRED)" H 66 0.561 1
47 1 8 1 "RMS(OBS, PRED)" HA 82 0.369 1
48 1 8 1 "RMS(OBS, PRED)" N 66 2.879 1
49 1 9 1 "RMS(OBS, PRED)" C 70 1.307 1
50 1 9 1 "RMS(OBS, PRED)" CA 73 1.358 1
51 1 9 1 "RMS(OBS, PRED)" CB 64 1.759 1
52 1 9 1 "RMS(OBS, PRED)" H 66 0.588 1
53 1 9 1 "RMS(OBS, PRED)" HA 82 0.379 1
54 1 9 1 "RMS(OBS, PRED)" N 66 2.627 1
55 1 10 1 "RMS(OBS, PRED)" C 70 1.232 1
56 1 10 1 "RMS(OBS, PRED)" CA 73 1.323 1
57 1 10 1 "RMS(OBS, PRED)" CB 64 1.728 1
58 1 10 1 "RMS(OBS, PRED)" H 66 0.536 1
59 1 10 1 "RMS(OBS, PRED)" HA 82 0.384 1
60 1 10 1 "RMS(OBS, PRED)" N 66 2.769 1
61 1 11 1 "RMS(OBS, PRED)" C 70 1.164 1
62 1 11 1 "RMS(OBS, PRED)" CA 73 1.338 1
63 1 11 1 "RMS(OBS, PRED)" CB 64 1.704 1
64 1 11 1 "RMS(OBS, PRED)" H 66 0.526 1
65 1 11 1 "RMS(OBS, PRED)" HA 82 0.386 1
66 1 11 1 "RMS(OBS, PRED)" N 66 2.611 1
67 1 12 1 "RMS(OBS, PRED)" C 70 1.145 1
68 1 12 1 "RMS(OBS, PRED)" CA 73 1.257 1
69 1 12 1 "RMS(OBS, PRED)" CB 64 1.674 1
70 1 12 1 "RMS(OBS, PRED)" H 66 0.546 1
71 1 12 1 "RMS(OBS, PRED)" HA 82 0.385 1
72 1 12 1 "RMS(OBS, PRED)" N 66 2.579 1
73 1 13 1 "RMS(OBS, PRED)" C 70 1.173 1
74 1 13 1 "RMS(OBS, PRED)" CA 73 1.237 1
75 1 13 1 "RMS(OBS, PRED)" CB 64 1.793 1
76 1 13 1 "RMS(OBS, PRED)" H 66 0.523 1
77 1 13 1 "RMS(OBS, PRED)" HA 82 0.375 1
78 1 13 1 "RMS(OBS, PRED)" N 66 2.684 1
79 1 14 1 "RMS(OBS, PRED)" C 70 1.193 1
80 1 14 1 "RMS(OBS, PRED)" CA 73 1.397 1
81 1 14 1 "RMS(OBS, PRED)" CB 64 1.714 1
82 1 14 1 "RMS(OBS, PRED)" H 66 0.565 1
83 1 14 1 "RMS(OBS, PRED)" HA 82 0.358 1
84 1 14 1 "RMS(OBS, PRED)" N 66 2.903 1
85 1 15 1 "RMS(OBS, PRED)" C 70 1.247 1
86 1 15 1 "RMS(OBS, PRED)" CA 73 1.331 1
87 1 15 1 "RMS(OBS, PRED)" CB 64 1.574 1
88 1 15 1 "RMS(OBS, PRED)" H 66 0.577 1
89 1 15 1 "RMS(OBS, PRED)" HA 82 0.351 1
90 1 15 1 "RMS(OBS, PRED)" N 66 2.764 1
91 1 16 1 "RMS(OBS, PRED)" C 70 1.304 1
92 1 16 1 "RMS(OBS, PRED)" CA 73 1.296 1
93 1 16 1 "RMS(OBS, PRED)" CB 64 1.773 1
94 1 16 1 "RMS(OBS, PRED)" H 66 0.566 1
95 1 16 1 "RMS(OBS, PRED)" HA 82 0.392 1
96 1 16 1 "RMS(OBS, PRED)" N 66 2.488 1
97 1 17 1 "RMS(OBS, PRED)" C 70 1.248 1
98 1 17 1 "RMS(OBS, PRED)" CA 73 1.257 1
99 1 17 1 "RMS(OBS, PRED)" CB 64 1.693 1
100 1 17 1 "RMS(OBS, PRED)" H 66 0.538 1
101 1 17 1 "RMS(OBS, PRED)" HA 82 0.367 1
102 1 17 1 "RMS(OBS, PRED)" N 66 2.804 1
103 1 18 1 "RMS(OBS, PRED)" C 70 1.204 1
104 1 18 1 "RMS(OBS, PRED)" CA 73 1.094 1
105 1 18 1 "RMS(OBS, PRED)" CB 64 1.615 1
106 1 18 1 "RMS(OBS, PRED)" H 66 0.604 1
107 1 18 1 "RMS(OBS, PRED)" HA 82 0.355 1
108 1 18 1 "RMS(OBS, PRED)" N 66 2.593 1
109 1 19 1 "RMS(OBS, PRED)" C 70 1.260 1
110 1 19 1 "RMS(OBS, PRED)" CA 73 1.299 1
111 1 19 1 "RMS(OBS, PRED)" CB 64 1.766 1
112 1 19 1 "RMS(OBS, PRED)" H 66 0.562 1
113 1 19 1 "RMS(OBS, PRED)" HA 82 0.375 1
114 1 19 1 "RMS(OBS, PRED)" N 66 2.815 1
115 1 20 1 "RMS(OBS, PRED)" C 70 1.256 1
116 1 20 1 "RMS(OBS, PRED)" CA 73 1.333 1
117 1 20 1 "RMS(OBS, PRED)" CB 64 1.619 1
118 1 20 1 "RMS(OBS, PRED)" H 66 0.574 1
119 1 20 1 "RMS(OBS, PRED)" HA 82 0.344 1
120 1 20 1 "RMS(OBS, PRED)" N 66 2.702 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 9 9 HIS HA H 9 4.627 5.003 -0.376 2
1 5 . 1 1 A 9 9 HIS C C 9 175.239 173.809 1.430 2
1 6 . 1 1 A 9 9 HIS CA C 9 56.347 55.148 1.199 2
1 7 . 1 1 A 9 9 HIS CB C 9 30.681 31.480 -0.799 2
1 9 . 1 1 A 10 10 GLN H H 10 8.313 8.542 -0.229 2
1 10 . 1 1 A 10 10 GLN HA H 10 4.323 4.686 -0.363 2
1 17 . 1 1 A 10 10 GLN C C 10 175.703 174.886 0.817 2
1 18 . 1 1 A 10 10 GLN CA C 10 55.875 54.926 0.949 2
1 19 . 1 1 A 10 10 GLN CB C 10 29.726 31.016 -1.290 2
1 21 . 1 1 A 10 10 GLN N N 10 122.031 121.408 0.623 2
1 23 . 1 1 A 11 11 GLU H H 11 8.546 8.723 -0.177 2
1 24 . 1 1 A 11 11 GLU HA H 11 4.275 4.630 -0.355 2
1 29 . 1 1 A 11 11 GLU C C 11 176.303 175.881 0.423 2
1 30 . 1 1 A 11 11 GLU CA C 11 56.472 56.150 0.322 2
1 31 . 1 1 A 11 11 GLU CB C 11 30.303 31.611 -1.308 2
1 33 . 1 1 A 11 11 GLU N N 11 122.648 122.990 -0.342 2
1 34 . 1 1 A 12 12 ALA H H 12 8.403 8.333 0.070 2
1 35 . 1 1 A 12 12 ALA HA H 12 4.288 4.639 -0.351 2
1 39 . 1 1 A 12 12 ALA C C 12 178.231 177.151 1.080 2
1 40 . 1 1 A 12 12 ALA CA C 12 52.759 51.710 1.049 2
1 41 . 1 1 A 12 12 ALA CB C 12 19.237 20.828 -1.591 2
1 42 . 1 1 A 12 12 ALA N N 12 125.516 124.216 1.299 2
1 43 . 1 1 A 13 13 GLY H H 13 8.490 8.440 0.050 2
1 44 . 1 1 A 13 13 GLY HA2 H 13 3.994 4.062 -0.068 2
1 45 . 1 1 A 13 13 GLY HA3 H 13 3.890 4.065 -0.175 2
1 46 . 1 1 A 13 13 GLY C C 13 174.176 173.336 0.840 2
1 47 . 1 1 A 13 13 GLY CA C 13 45.094 45.819 -0.725 2
1 48 . 1 1 A 13 13 GLY N N 13 108.839 108.046 0.793 2
1 49 . 1 1 A 14 14 ALA H H 14 8.172 8.182 -0.010 2
1 50 . 1 1 A 14 14 ALA HA H 14 4.246 4.593 -0.347 2
1 54 . 1 1 A 14 14 ALA C C 14 178.304 177.604 0.700 2
1 55 . 1 1 A 14 14 ALA CA C 14 52.988 51.509 1.479 2
1 56 . 1 1 A 14 14 ALA CB C 14 19.228 20.466 -1.238 2
1 57 . 1 1 A 14 14 ALA N N 14 123.459 124.490 -1.031 2
1 58 . 1 1 A 15 15 GLY H H 15 8.329 8.530 -0.201 2
1 59 . 1 1 A 15 15 GLY HA2 H 15 3.578 3.938 -0.360 2
1 60 . 1 1 A 15 15 GLY HA3 H 15 3.578 3.961 -0.383 2
1 61 . 1 1 A 15 15 GLY C C 15 173.577 174.063 -0.486 2
1 62 . 1 1 A 15 15 GLY CA C 15 45.128 46.313 -1.185 2
1 63 . 1 1 A 15 15 GLY N N 15 107.276 109.410 -2.134 2
1 64 . 1 1 A 16 16 ASP H H 16 7.898 8.017 -0.119 2
1 65 . 1 1 A 16 16 ASP HA H 16 4.547 4.579 -0.032 2
1 68 . 1 1 A 16 16 ASP C C 16 174.898 174.420 0.478 2
1 69 . 1 1 A 16 16 ASP CA C 16 54.344 53.333 1.011 2
1 70 . 1 1 A 16 16 ASP CB C 16 41.534 40.415 1.119 2
1 71 . 1 1 A 16 16 ASP N N 16 118.642 120.078 -1.435 2
1 72 . 1 1 A 17 17 LEU H H 17 7.822 7.513 0.309 2
1 73 . 1 1 A 17 17 LEU HA H 17 4.446 4.825 -0.379 2
1 83 . 1 1 A 17 17 LEU C C 17 175.902 175.743 0.159 2
1 84 . 1 1 A 17 17 LEU CA C 17 53.128 53.004 0.124 2
1 85 . 1 1 A 17 17 LEU CB C 17 44.656 45.157 -0.501 2
1 89 . 1 1 A 17 17 LEU N N 17 119.654 120.719 -1.065 2
1 90 . 1 1 A 18 18 CYS H H 18 8.080 8.357 -0.277 2
1 91 . 1 1 A 18 18 CYS HA H 18 4.248 4.091 0.157 2
1 94 . 1 1 A 18 18 CYS C C 18 177.466 175.701 1.766 2
1 95 . 1 1 A 18 18 CYS CA C 18 58.398 59.484 -1.086 2
1 96 . 1 1 A 18 18 CYS CB C 18 31.990 28.176 3.814 2
1 97 . 1 1 A 18 18 CYS N N 18 123.013 124.312 -1.299 2
1 98 . 1 1 A 19 19 ALA H H 19 9.211 8.400 0.811 2
1 99 . 1 1 A 19 19 ALA HA H 19 4.172 4.110 0.062 2
1 103 . 1 1 A 19 19 ALA C C 19 177.724 178.985 -1.261 2
1 104 . 1 1 A 19 19 ALA CA C 19 54.327 53.236 1.091 2
1 105 . 1 1 A 19 19 ALA CB C 19 18.662 18.843 -0.181 2
1 106 . 1 1 A 19 19 ALA N N 19 132.258 128.791 3.467 2
1 107 . 1 1 A 20 20 LEU H H 20 8.911 7.682 1.229 2
1 108 . 1 1 A 20 20 LEU HA H 20 4.736 4.120 0.616 2
1 118 . 1 1 A 20 20 LEU C C 20 177.779 178.640 -0.861 2
1 119 . 1 1 A 20 20 LEU CA C 20 56.935 57.748 -0.813 2
1 120 . 1 1 A 20 20 LEU CB C 20 43.750 42.477 1.273 2
1 124 . 1 1 A 20 20 LEU N N 20 119.770 118.754 1.016 2
1 125 . 1 1 A 21 21 CYS H H 21 8.159 7.660 0.499 2
1 126 . 1 1 A 21 21 CYS HA H 21 4.962 4.549 0.413 2
1 129 . 1 1 A 21 21 CYS C C 21 176.947 175.573 1.374 2
1 130 . 1 1 A 21 21 CYS CA C 21 59.137 59.790 -0.653 2
1 131 . 1 1 A 21 21 CYS CB C 21 31.728 29.250 2.478 2
1 132 . 1 1 A 21 21 CYS N N 21 116.713 113.482 3.231 2
1 133 . 1 1 A 22 22 GLY H H 22 8.088 8.172 -0.084 2
1 134 . 1 1 A 22 22 GLY HA2 H 22 4.160 3.942 0.218 2
1 135 . 1 1 A 22 22 GLY HA3 H 22 3.865 3.973 -0.108 2
1 136 . 1 1 A 22 22 GLY C C 22 173.190 174.235 -1.045 2
1 137 . 1 1 A 22 22 GLY CA C 22 46.556 45.741 0.815 2
1 138 . 1 1 A 22 22 GLY N N 22 112.000 110.073 1.927 2
1 139 . 1 1 A 23 23 GLU H H 23 8.378 8.024 0.354 2
1 140 . 1 1 A 23 23 GLU HA H 23 4.712 4.728 -0.016 2
1 145 . 1 1 A 23 23 GLU C C 23 176.434 175.876 0.558 2
1 146 . 1 1 A 23 23 GLU CA C 23 55.014 55.388 -0.374 2
1 147 . 1 1 A 23 23 GLU CB C 23 31.557 31.871 -0.314 2
1 149 . 1 1 A 23 23 GLU N N 23 118.877 118.895 -0.018 2
1 150 . 1 1 A 24 24 HIS H H 24 8.666 8.632 0.034 2
1 151 . 1 1 A 24 24 HIS HA H 24 4.333 4.631 -0.298 2
1 156 . 1 1 A 24 24 HIS C C 24 175.281 174.073 1.208 2
1 157 . 1 1 A 24 24 HIS CA C 24 58.186 57.496 0.690 2
1 158 . 1 1 A 24 24 HIS CB C 24 30.099 31.077 -0.978 2
1 161 . 1 1 A 24 24 HIS N N 24 118.732 120.351 -1.619 2
1 162 . 1 1 A 25 25 LEU H H 25 7.928 8.195 -0.267 2
1 163 . 1 1 A 25 25 LEU HA H 25 4.174 5.204 -1.030 2
1 173 . 1 1 A 25 25 LEU C C 25 175.186 175.323 -0.137 2
1 174 . 1 1 A 25 25 LEU CA C 25 53.992 53.620 0.372 2
1 175 . 1 1 A 25 25 LEU CB C 25 43.742 45.004 -1.262 2
1 179 . 1 1 A 25 25 LEU N N 25 125.590 125.932 -0.342 2
1 180 . 1 1 A 26 26 TYR H H 26 8.768 8.878 -0.110 2
1 181 . 1 1 A 26 26 TYR HA H 26 4.651 5.026 -0.375 2
1 188 . 1 1 A 26 26 TYR C C 26 177.267 176.535 0.732 2
1 189 . 1 1 A 26 26 TYR CA C 26 57.270 56.467 0.803 2
1 190 . 1 1 A 26 26 TYR CB C 26 38.210 40.841 -2.631 2
1 195 . 1 1 A 26 26 TYR N N 26 123.119 123.344 -0.225 2
1 196 . 1 1 A 27 27 VAL H H 27 8.086 7.857 0.229 2
1 197 . 1 1 A 27 27 VAL HA H 27 3.809 3.654 0.155 2
1 205 . 1 1 A 27 27 VAL C C 27 176.958 176.708 0.250 2
1 206 . 1 1 A 27 27 VAL CA C 27 64.551 65.293 -0.742 2
1 207 . 1 1 A 27 27 VAL CB C 27 31.788 31.469 0.319 2
1 210 . 1 1 A 27 27 VAL N N 27 121.055 124.005 -2.950 2
1 211 . 1 1 A 28 28 LEU H H 28 7.665 7.663 0.002 2
1 212 . 1 1 A 28 28 LEU HA H 28 4.285 4.401 -0.116 2
1 222 . 1 1 A 28 28 LEU C C 28 177.710 177.649 0.061 2
1 223 . 1 1 A 28 28 LEU CA C 28 56.297 55.640 0.657 2
1 224 . 1 1 A 28 28 LEU CB C 28 41.998 42.468 -0.470 2
1 228 . 1 1 A 28 28 LEU N N 28 119.062 119.939 -0.877 2
1 229 . 1 1 A 29 29 GLU H H 29 7.961 8.182 -0.221 2
1 230 . 1 1 A 29 29 GLU HA H 29 4.479 4.421 0.058 2
1 235 . 1 1 A 29 29 GLU C C 29 175.755 176.198 -0.443 2
1 236 . 1 1 A 29 29 GLU CA C 29 56.248 57.593 -1.345 2
1 237 . 1 1 A 29 29 GLU CB C 29 30.550 30.431 0.119 2
1 239 . 1 1 A 29 29 GLU N N 29 117.067 117.508 -0.441 2
1 240 . 1 1 A 30 30 ARG H H 30 7.724 7.672 0.052 2
1 241 . 1 1 A 30 30 ARG HA H 30 4.688 4.679 0.008 2
1 248 . 1 1 A 30 30 ARG C C 30 174.546 175.330 -0.784 2
1 249 . 1 1 A 30 30 ARG CA C 30 55.948 55.912 0.036 2
1 250 . 1 1 A 30 30 ARG CB C 30 33.034 31.567 1.467 2
1 253 . 1 1 A 30 30 ARG N N 30 120.305 118.078 2.227 2
1 254 . 1 1 A 31 31 LEU H H 31 8.970 9.103 -0.133 2
1 255 . 1 1 A 31 31 LEU HA H 31 4.635 4.787 -0.152 2
1 265 . 1 1 A 31 31 LEU C C 31 174.536 175.468 -0.932 2
1 266 . 1 1 A 31 31 LEU CA C 31 54.168 53.739 0.429 2
1 267 . 1 1 A 31 31 LEU CB C 31 45.021 42.622 2.399 2
1 271 . 1 1 A 31 31 LEU N N 31 124.553 124.830 -0.277 2
1 272 . 1 1 A 32 32 CYS H H 32 8.558 8.692 -0.134 2
1 273 . 1 1 A 32 32 CYS HA H 32 4.954 4.217 0.737 2
1 276 . 1 1 A 32 32 CYS C C 32 174.418 173.996 0.422 2
1 277 . 1 1 A 32 32 CYS CA C 32 56.874 58.723 -1.849 2
1 278 . 1 1 A 32 32 CYS CB C 32 28.054 27.297 0.757 2
1 279 . 1 1 A 32 32 CYS N N 32 124.126 124.709 -0.583 2
1 280 . 1 1 A 33 33 VAL H H 33 8.893 8.976 -0.083 2
1 281 . 1 1 A 33 33 VAL HA H 33 4.103 4.431 -0.328 2
1 289 . 1 1 A 33 33 VAL C C 33 175.525 175.992 -0.467 2
1 290 . 1 1 A 33 33 VAL CA C 33 61.551 61.111 0.440 2
1 291 . 1 1 A 33 33 VAL CB C 33 34.027 33.667 0.360 2
1 294 . 1 1 A 33 33 VAL N N 33 129.037 126.274 2.763 2
1 295 . 1 1 A 34 34 ASN HA H 34 4.389 4.435 -0.046 2
1 300 . 1 1 A 34 34 ASN C C 34 174.946 175.298 -0.352 2
1 301 . 1 1 A 34 34 ASN CA C 34 53.922 54.623 -0.701 2
1 302 . 1 1 A 34 34 ASN CB C 34 37.332 37.234 0.098 2
1 304 . 1 1 A 35 35 GLY H H 35 7.896 8.140 -0.244 2
1 305 . 1 1 A 35 35 GLY HA2 H 35 3.891 3.633 0.258 2
1 306 . 1 1 A 35 35 GLY HA3 H 35 3.180 3.673 -0.493 2
1 307 . 1 1 A 35 35 GLY C C 35 172.892 174.099 -1.207 2
1 308 . 1 1 A 35 35 GLY CA C 35 45.290 45.023 0.267 2
1 309 . 1 1 A 35 35 GLY N N 35 102.630 104.587 -1.957 2
1 310 . 1 1 A 36 36 HIS H H 36 7.694 7.433 0.261 2
1 311 . 1 1 A 36 36 HIS HA H 36 4.433 4.437 -0.004 2
1 315 . 1 1 A 36 36 HIS C C 36 172.910 174.308 -1.398 2
1 316 . 1 1 A 36 36 HIS CA C 36 54.433 56.045 -1.613 2
1 317 . 1 1 A 36 36 HIS CB C 36 32.464 30.837 1.627 2
1 319 . 1 1 A 36 36 HIS N N 36 119.651 118.434 1.217 2
1 320 . 1 1 A 37 37 PHE H H 37 8.502 8.898 -0.396 2
1 321 . 1 1 A 37 37 PHE HA H 37 5.314 5.461 -0.147 2
1 329 . 1 1 A 37 37 PHE C C 37 174.239 174.399 -0.160 2
1 330 . 1 1 A 37 37 PHE CA C 37 56.424 56.116 0.308 2
1 331 . 1 1 A 37 37 PHE CB C 37 41.572 41.805 -0.233 2
1 337 . 1 1 A 37 37 PHE N N 37 119.583 120.250 -0.667 2
1 338 . 1 1 A 38 38 PHE H H 38 8.664 9.041 -0.377 2
1 339 . 1 1 A 38 38 PHE HA H 38 5.866 4.907 0.959 2
1 347 . 1 1 A 38 38 PHE C C 38 177.496 175.112 2.384 2
1 348 . 1 1 A 38 38 PHE CA C 38 55.296 56.400 -1.104 2
1 349 . 1 1 A 38 38 PHE CB C 38 44.392 43.233 1.159 2
1 355 . 1 1 A 38 38 PHE N N 38 116.719 119.765 -3.046 2
1 356 . 1 1 A 39 39 HIS H H 39 8.854 8.475 0.379 2
1 357 . 1 1 A 39 39 HIS HA H 39 4.675 4.726 -0.051 2
1 362 . 1 1 A 39 39 HIS C C 39 178.476 176.669 1.807 2
1 363 . 1 1 A 39 39 HIS CA C 39 59.297 56.699 2.598 2
1 364 . 1 1 A 39 39 HIS CB C 39 30.980 30.478 0.502 2
1 367 . 1 1 A 39 39 HIS N N 39 120.015 119.891 0.124 2
1 368 . 1 1 A 40 40 ARG H H 40 9.256 9.111 0.145 2
1 369 . 1 1 A 40 40 ARG HA H 40 3.965 4.043 -0.078 2
1 376 . 1 1 A 40 40 ARG C C 40 179.459 177.697 1.762 2
1 377 . 1 1 A 40 40 ARG CA C 40 60.547 59.194 1.353 2
1 378 . 1 1 A 40 40 ARG CB C 40 29.598 29.987 -0.389 2
1 381 . 1 1 A 40 40 ARG N N 40 126.206 123.940 2.266 2
1 382 . 1 1 A 41 41 SER H H 41 8.643 7.963 0.680 2
1 383 . 1 1 A 41 41 SER HA H 41 4.221 4.391 -0.169 2
1 386 . 1 1 A 41 41 SER C C 41 175.499 176.485 -0.986 2
1 387 . 1 1 A 41 41 SER CA C 41 60.160 61.101 -0.941 2
1 388 . 1 1 A 41 41 SER CB C 41 62.847 63.617 -0.770 2
1 389 . 1 1 A 41 41 SER N N 41 109.970 114.957 -4.987 2
1 390 . 1 1 A 42 42 CYS H H 42 7.427 8.386 -0.959 2
1 391 . 1 1 A 42 42 CYS HA H 42 4.306 4.152 0.154 2
1 394 . 1 1 A 42 42 CYS C C 42 174.200 176.111 -1.911 2
1 395 . 1 1 A 42 42 CYS CA C 42 61.569 63.390 -1.821 2
1 396 . 1 1 A 42 42 CYS CB C 42 30.945 27.291 3.654 2
1 397 . 1 1 A 42 42 CYS N N 42 118.020 119.648 -1.628 2
1 398 . 1 1 A 43 43 PHE H H 43 7.257 7.757 -0.500 2
1 399 . 1 1 A 43 43 PHE HA H 43 4.122 4.263 -0.141 2
1 407 . 1 1 A 43 43 PHE C C 43 172.037 174.492 -2.455 2
1 408 . 1 1 A 43 43 PHE CA C 43 57.112 58.382 -1.270 2
1 409 . 1 1 A 43 43 PHE CB C 43 37.448 38.850 -1.402 2
1 415 . 1 1 A 43 43 PHE N N 43 122.965 121.226 1.739 2
1 416 . 1 1 A 44 44 ARG H H 44 7.110 8.239 -1.129 2
1 417 . 1 1 A 44 44 ARG HA H 44 4.821 4.848 -0.027 2
1 424 . 1 1 A 44 44 ARG C C 44 174.097 174.792 -0.695 2
1 425 . 1 1 A 44 44 ARG CA C 44 53.323 53.556 -0.233 2
1 426 . 1 1 A 44 44 ARG CB C 44 34.911 34.048 0.863 2
1 429 . 1 1 A 44 44 ARG N N 44 123.199 125.338 -2.139 2
1 430 . 1 1 A 45 45 CYS H H 45 8.580 8.497 0.083 2
1 431 . 1 1 A 45 45 CYS HA H 45 4.055 4.484 -0.429 2
1 434 . 1 1 A 45 45 CYS C C 45 177.493 175.188 2.305 2
1 435 . 1 1 A 45 45 CYS CA C 45 59.878 59.669 0.209 2
1 436 . 1 1 A 45 45 CYS CB C 45 32.052 28.902 3.150 2
1 437 . 1 1 A 45 45 CYS N N 45 121.527 120.925 0.602 2
1 438 . 1 1 A 46 46 HIS H H 46 9.187 8.626 0.561 2
1 439 . 1 1 A 46 46 HIS HA H 46 4.184 4.561 -0.377 2
1 443 . 1 1 A 46 46 HIS C C 46 175.000 176.281 -1.281 2
1 444 . 1 1 A 46 46 HIS CA C 46 59.137 57.189 1.948 2
1 445 . 1 1 A 46 46 HIS CB C 46 29.560 30.509 -0.949 2
1 447 . 1 1 A 46 46 HIS N N 46 130.205 125.111 5.094 2
1 448 . 1 1 A 47 47 THR H H 47 8.848 7.597 1.251 2
1 449 . 1 1 A 47 47 THR HA H 47 4.134 4.408 -0.274 2
1 454 . 1 1 A 47 47 THR C C 47 174.926 175.936 -1.010 2
1 455 . 1 1 A 47 47 THR CA C 47 65.535 63.453 2.082 2
1 456 . 1 1 A 47 47 THR CB C 47 70.010 70.658 -0.648 2
1 458 . 1 1 A 47 47 THR N N 47 116.066 111.687 4.379 2
1 459 . 1 1 A 48 48 CYS H H 48 8.181 8.155 0.026 2
1 460 . 1 1 A 48 48 CYS HA H 48 4.821 4.577 0.244 2
1 463 . 1 1 A 48 48 CYS C C 48 176.004 174.744 1.260 2
1 464 . 1 1 A 48 48 CYS CA C 48 59.050 58.234 0.816 2
1 465 . 1 1 A 48 48 CYS CB C 48 32.944 29.224 3.720 2
1 466 . 1 1 A 48 48 CYS N N 48 119.626 116.181 3.445 2
1 467 . 1 1 A 49 49 GLU H H 49 8.081 8.040 0.040 2
1 468 . 1 1 A 49 49 GLU HA H 49 3.865 4.231 -0.366 2
1 473 . 1 1 A 49 49 GLU C C 49 174.137 174.885 -0.748 2
1 474 . 1 1 A 49 49 GLU CA C 49 58.732 57.432 1.300 2
1 475 . 1 1 A 49 49 GLU CB C 49 27.345 27.223 0.122 2
1 477 . 1 1 A 49 49 GLU N N 49 116.307 117.475 -1.168 2
1 478 . 1 1 A 50 50 ALA H H 50 8.498 7.794 0.704 2
1 479 . 1 1 A 50 50 ALA HA H 50 4.388 4.560 -0.172 2
1 483 . 1 1 A 50 50 ALA C C 50 178.362 176.929 1.433 2
1 484 . 1 1 A 50 50 ALA CA C 50 53.111 50.658 2.453 2
1 485 . 1 1 A 50 50 ALA CB C 50 20.334 20.551 -0.217 2
1 486 . 1 1 A 50 50 ALA N N 50 124.211 121.118 3.093 2
1 487 . 1 1 A 51 51 THR H H 51 8.470 8.443 0.027 2
1 488 . 1 1 A 51 51 THR HA H 51 3.811 3.916 -0.105 2
1 493 . 1 1 A 51 51 THR C C 51 173.931 173.752 0.179 2
1 494 . 1 1 A 51 51 THR CA C 51 64.345 63.676 0.669 2
1 495 . 1 1 A 51 51 THR CB C 51 69.428 68.146 1.282 2
1 497 . 1 1 A 51 51 THR N N 51 117.025 117.134 -0.109 2
1 498 . 1 1 A 52 52 LEU H H 52 7.421 8.093 -0.672 2
1 499 . 1 1 A 52 52 LEU HA H 52 4.439 4.403 0.036 2
1 509 . 1 1 A 52 52 LEU C C 52 175.390 175.760 -0.370 2
1 510 . 1 1 A 52 52 LEU CA C 52 53.728 54.361 -0.633 2
1 511 . 1 1 A 52 52 LEU CB C 52 42.020 40.609 1.411 2
1 515 . 1 1 A 52 52 LEU N N 52 125.339 127.740 -2.401 2
1 516 . 1 1 A 53 53 TRP H H 53 8.089 8.143 -0.054 2
1 517 . 1 1 A 53 53 TRP HA H 53 5.148 4.747 0.401 2
1 526 . 1 1 A 53 53 TRP C C 53 173.534 176.504 -2.970 2
1 527 . 1 1 A 53 53 TRP CA C 53 54.345 56.615 -2.270 2
1 528 . 1 1 A 53 53 TRP CB C 53 30.134 29.251 0.883 2
1 534 . 1 1 A 53 53 TRP N N 53 120.731 126.637 -5.906 2
1 536 . 1 1 A 54 54 PRO HA H 54 4.553 4.652 -0.099 2
1 543 . 1 1 A 54 54 PRO CA C 54 64.882 63.925 0.957 2
1 544 . 1 1 A 54 54 PRO CB C 54 31.969 31.203 0.766 2
1 547 . 1 1 A 55 55 GLY HA2 H 55 4.330 4.164 0.166 2
1 548 . 1 1 A 55 55 GLY HA3 H 55 3.795 4.186 -0.391 2
1 549 . 1 1 A 55 55 GLY C C 55 175.195 174.206 0.989 2
1 550 . 1 1 A 55 55 GLY CA C 55 45.586 45.715 -0.129 2
1 551 . 1 1 A 56 56 GLY H H 56 8.653 7.649 1.004 2
1 552 . 1 1 A 56 56 GLY HA2 H 56 4.567 4.251 0.316 2
1 553 . 1 1 A 56 56 GLY HA3 H 56 3.380 4.320 -0.940 2
1 554 . 1 1 A 56 56 GLY C C 56 174.377 173.202 1.175 2
1 555 . 1 1 A 56 56 GLY CA C 56 45.237 45.853 -0.616 2
1 556 . 1 1 A 56 56 GLY N N 56 107.803 107.112 0.691 2
1 557 . 1 1 A 57 57 TYR H H 57 7.269 7.904 -0.635 2
1 558 . 1 1 A 57 57 TYR HA H 57 5.600 5.274 0.326 2
1 565 . 1 1 A 57 57 TYR C C 57 173.258 173.631 -0.372 2
1 566 . 1 1 A 57 57 TYR CA C 57 55.666 56.401 -0.735 2
1 567 . 1 1 A 57 57 TYR CB C 57 44.451 40.960 3.491 2
1 572 . 1 1 A 57 57 TYR N N 57 116.315 116.307 0.008 2
1 573 . 1 1 A 58 58 GLU H H 58 8.948 9.002 -0.054 2
1 574 . 1 1 A 58 58 GLU HA H 58 4.546 4.721 -0.175 2
1 579 . 1 1 A 58 58 GLU C C 58 174.242 174.488 -0.246 2
1 580 . 1 1 A 58 58 GLU CA C 58 55.790 55.276 0.514 2
1 581 . 1 1 A 58 58 GLU CB C 58 35.177 34.295 0.882 2
1 583 . 1 1 A 58 58 GLU N N 58 117.931 119.199 -1.268 2
1 584 . 1 1 A 59 59 GLN H H 59 9.205 8.805 0.400 2
1 585 . 1 1 A 59 59 GLN HA H 59 4.760 4.947 -0.187 2
1 592 . 1 1 A 59 59 GLN C C 59 175.807 175.304 0.503 2
1 593 . 1 1 A 59 59 GLN CA C 59 53.904 54.165 -0.261 2
1 594 . 1 1 A 59 59 GLN CB C 59 29.530 29.817 -0.287 2
1 596 . 1 1 A 59 59 GLN N N 59 123.928 123.240 0.688 2
1 598 . 1 1 A 60 60 HIS H H 60 9.330 8.821 0.509 2
1 599 . 1 1 A 60 60 HIS HA H 60 4.945 4.529 0.416 2
1 604 . 1 1 A 60 60 HIS C C 60 175.428 175.496 -0.068 2
1 605 . 1 1 A 60 60 HIS CA C 60 54.556 55.120 -0.564 2
1 606 . 1 1 A 60 60 HIS CB C 60 32.329 31.063 1.266 2
1 609 . 1 1 A 60 60 HIS N N 60 131.634 127.123 4.511 2
1 610 . 1 1 A 61 61 PRO HA H 61 4.269 4.156 0.113 2
1 617 . 1 1 A 61 61 PRO CA C 61 64.043 64.790 -0.747 2
1 618 . 1 1 A 61 61 PRO CB C 61 31.752 31.738 0.014 2
1 621 . 1 1 A 62 62 GLY H H 62 7.210 8.044 -0.834 2
1 622 . 1 1 A 62 62 GLY HA2 H 62 3.928 3.763 0.165 2
1 623 . 1 1 A 62 62 GLY HA3 H 62 3.666 3.931 -0.265 2
1 624 . 1 1 A 62 62 GLY CA C 62 46.610 47.160 -0.550 2
1 625 . 1 1 A 62 62 GLY N N 62 105.065 106.290 -1.225 2
1 626 . 1 1 A 63 63 ASP H H 63 8.237 8.057 0.180 2
1 627 . 1 1 A 63 63 ASP HA H 63 4.648 4.618 0.030 2
1 630 . 1 1 A 63 63 ASP C C 63 177.303 176.377 0.926 2
1 631 . 1 1 A 63 63 ASP CA C 63 53.182 55.320 -2.138 2
1 632 . 1 1 A 63 63 ASP CB C 63 42.216 41.715 0.501 2
1 633 . 1 1 A 63 63 ASP N N 63 118.685 120.908 -2.223 2
1 634 . 1 1 A 64 64 GLY H H 64 8.315 7.925 0.390 2
1 635 . 1 1 A 64 64 GLY HA2 H 64 3.900 3.931 -0.031 2
1 636 . 1 1 A 64 64 GLY HA3 H 64 3.635 3.960 -0.325 2
1 637 . 1 1 A 64 64 GLY C C 64 174.457 173.691 0.766 2
1 638 . 1 1 A 64 64 GLY CA C 64 46.004 45.349 0.655 2
1 639 . 1 1 A 64 64 GLY N N 64 109.742 106.758 2.984 2
1 640 . 1 1 A 65 65 HIS H H 65 9.101 7.912 1.189 2
1 641 . 1 1 A 65 65 HIS HA H 65 4.675 4.942 -0.267 2
1 645 . 1 1 A 65 65 HIS C C 65 173.603 173.536 0.067 2
1 646 . 1 1 A 65 65 HIS CA C 65 55.208 54.602 0.606 2
1 647 . 1 1 A 65 65 HIS CB C 65 30.321 34.027 -3.706 2
1 649 . 1 1 A 65 65 HIS N N 65 121.111 116.955 4.156 2
1 650 . 1 1 A 66 66 PHE H H 66 8.841 8.551 0.290 2
1 651 . 1 1 A 66 66 PHE HA H 66 5.005 5.337 -0.332 2
1 659 . 1 1 A 66 66 PHE C C 66 174.272 174.285 -0.013 2
1 660 . 1 1 A 66 66 PHE CA C 66 57.904 56.113 1.791 2
1 661 . 1 1 A 66 66 PHE CB C 66 40.990 41.331 -0.341 2
1 667 . 1 1 A 66 66 PHE N N 66 118.465 117.560 0.905 2
1 668 . 1 1 A 67 67 TYR H H 67 8.714 9.229 -0.515 2
1 669 . 1 1 A 67 67 TYR HA H 67 5.676 5.174 0.502 2
1 676 . 1 1 A 67 67 TYR C C 67 176.345 175.820 0.525 2
1 677 . 1 1 A 67 67 TYR CA C 67 56.829 56.537 0.292 2
1 678 . 1 1 A 67 67 TYR CB C 67 43.668 43.262 0.406 2
1 683 . 1 1 A 67 67 TYR N N 67 117.828 121.232 -3.404 2
1 684 . 1 1 A 68 68 CYS H H 68 9.524 8.655 0.869 2
1 685 . 1 1 A 68 68 CYS HA H 68 5.152 4.898 0.254 2
1 688 . 1 1 A 68 68 CYS C C 68 176.563 176.315 0.248 2
1 689 . 1 1 A 68 68 CYS CA C 68 58.468 58.209 0.260 2
1 690 . 1 1 A 68 68 CYS CB C 68 29.373 29.592 -0.219 2
1 691 . 1 1 A 68 68 CYS N N 68 120.631 120.380 0.251 2
1 692 . 1 1 A 69 69 LEU H H 69 7.630 8.749 -1.119 2
1 693 . 1 1 A 69 69 LEU HA H 69 3.952 4.394 -0.442 2
1 703 . 1 1 A 69 69 LEU C C 69 179.373 176.803 2.570 2
1 704 . 1 1 A 69 69 LEU CA C 69 58.080 55.362 2.718 2
1 705 . 1 1 A 69 69 LEU CB C 69 40.125 41.256 -1.131 2
1 709 . 1 1 A 69 69 LEU N N 69 117.279 122.252 -4.973 2
1 710 . 1 1 A 70 70 GLN H H 70 8.159 8.260 -0.101 2
1 711 . 1 1 A 70 70 GLN HA H 70 4.106 4.658 -0.552 2
1 718 . 1 1 A 70 70 GLN C C 70 177.094 176.975 0.119 2
1 719 . 1 1 A 70 70 GLN CA C 70 57.781 56.244 1.537 2
1 720 . 1 1 A 70 70 GLN CB C 70 28.537 30.950 -2.413 2
1 722 . 1 1 A 70 70 GLN N N 70 115.749 119.293 -3.544 2
1 724 . 1 1 A 71 71 HIS H H 71 7.651 7.688 -0.037 2
1 725 . 1 1 A 71 71 HIS HA H 71 4.917 4.758 0.159 2
1 730 . 1 1 A 71 71 HIS C C 71 173.431 174.999 -1.568 2
1 731 . 1 1 A 71 71 HIS CA C 71 56.142 56.187 -0.045 2
1 732 . 1 1 A 71 71 HIS CB C 71 33.010 31.658 1.352 2
1 735 . 1 1 A 71 71 HIS N N 71 116.846 115.581 1.266 2
1 736 . 1 1 A 72 72 LEU H H 72 7.154 7.542 -0.388 2
1 737 . 1 1 A 72 72 LEU HA H 72 3.772 4.168 -0.396 2
1 747 . 1 1 A 72 72 LEU C C 72 174.748 175.091 -0.343 2
1 748 . 1 1 A 72 72 LEU CA C 72 53.499 53.292 0.207 2
1 749 . 1 1 A 72 72 LEU CB C 72 42.729 43.021 -0.292 2
1 753 . 1 1 A 72 72 LEU N N 72 124.029 122.060 1.969 2
1 754 . 1 1 A 73 73 PRO HA H 73 4.145 4.462 -0.317 2
1 761 . 1 1 A 73 73 PRO C C 73 175.785 175.428 0.357 2
1 762 . 1 1 A 73 73 PRO CA C 73 63.050 62.126 0.924 2
1 763 . 1 1 A 73 73 PRO CB C 73 32.055 32.599 -0.544 2
1 766 . 1 1 A 74 74 GLN H H 74 8.359 8.522 -0.163 2
1 767 . 1 1 A 74 74 GLN HA H 74 4.386 5.091 -0.706 2
1 774 . 1 1 A 74 74 GLN C C 74 176.731 175.304 1.427 2
1 775 . 1 1 A 74 74 GLN CA C 74 55.526 54.572 0.954 2
1 776 . 1 1 A 74 74 GLN CB C 74 29.817 32.200 -2.383 2
1 778 . 1 1 A 74 74 GLN N N 74 120.467 118.686 1.781 2
1 780 . 1 1 A 75 75 THR H H 75 8.368 8.845 -0.477 2
1 781 . 1 1 A 75 75 THR HA H 75 4.390 4.416 -0.026 2
1 786 . 1 1 A 75 75 THR C C 75 174.257 174.234 0.023 2
1 787 . 1 1 A 75 75 THR CA C 75 61.993 62.688 -0.695 2
1 788 . 1 1 A 75 75 THR CB C 75 69.991 69.336 0.655 2
1 790 . 1 1 A 75 75 THR N N 75 116.318 118.806 -2.488 2
1 791 . 1 1 A 76 76 ASP H H 76 8.528 8.568 -0.040 2
1 792 . 1 1 A 76 76 ASP HA H 76 4.700 4.763 -0.063 2
1 795 . 1 1 A 76 76 ASP C C 76 176.200 175.765 0.435 2
1 796 . 1 1 A 76 76 ASP CA C 76 54.363 54.519 -0.156 2
1 797 . 1 1 A 76 76 ASP CB C 76 41.362 41.639 -0.277 2
1 798 . 1 1 A 76 76 ASP N N 76 123.204 124.180 -0.976 2
1 799 . 1 1 A 77 77 SER H H 77 8.346 8.300 0.046 2
1 800 . 1 1 A 77 77 SER HA H 77 4.497 4.574 -0.077 2
1 803 . 1 1 A 77 77 SER C C 77 174.724 174.268 0.456 2
1 804 . 1 1 A 77 77 SER CA C 77 58.451 58.208 0.243 2
1 805 . 1 1 A 77 77 SER CB C 77 64.101 64.142 -0.041 2
1 806 . 1 1 A 77 77 SER N N 77 116.515 116.703 -0.188 2
1 807 . 1 1 A 78 78 GLY H H 78 8.330 8.348 -0.018 2
1 808 . 1 1 A 78 78 GLY HA2 H 78 4.135 4.081 0.054 2
1 809 . 1 1 A 78 78 GLY HA3 H 78 4.135 4.083 0.052 2
1 810 . 1 1 A 78 78 GLY C C 78 171.883 173.519 -1.636 2
1 811 . 1 1 A 78 78 GLY CA C 78 44.745 45.427 -0.682 2
1 812 . 1 1 A 78 78 GLY N N 78 110.837 111.058 -0.221 2
1 813 . 1 1 A 79 79 PRO HA H 79 4.501 4.529 -0.028 2
1 820 . 1 1 A 79 79 PRO C C 79 177.463 176.683 0.780 2
1 821 . 1 1 A 79 79 PRO CA C 79 63.332 63.372 -0.040 2
1 822 . 1 1 A 79 79 PRO CB C 79 32.229 31.766 0.463 2
1 825 . 1 1 A 80 80 SER H H 80 8.531 8.333 0.198 2
1 826 . 1 1 A 80 80 SER HA H 80 4.521 4.561 -0.040 2
1 829 . 1 1 A 80 80 SER C C 80 174.760 174.006 0.754 2
1 830 . 1 1 A 80 80 SER CA C 80 58.398 58.779 -0.381 2
1 831 . 1 1 A 80 80 SER CB C 80 63.978 63.800 0.178 2
1 832 . 1 1 A 80 80 SER N N 80 116.479 116.792 -0.313 2
1 833 . 1 1 A 81 81 SER H H 81 8.358 8.557 -0.199 2
1 834 . 1 1 A 81 81 SER HA H 81 4.530 4.659 -0.129 2
1 837 . 1 1 A 81 81 SER C C 81 173.982 174.325 -0.343 2
1 838 . 1 1 A 81 81 SER CA C 81 58.416 58.512 -0.096 2
1 839 . 1 1 A 81 81 SER CB C 81 64.082 64.346 -0.264 2
1 840 . 1 1 A 81 81 SER N N 81 117.964 119.163 -1.200 2
stop_
save_