data_10266_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10266
_Entry.PDB_ID 2EDY
_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 6 6 SER HA H 6 4.535 4.592 -0.057 1
1 4 . 1 1 1 A 6 6 SER CA C 6 58.104 59.889 -1.785 1
1 5 . 1 1 1 A 6 6 SER CB C 6 64.201 64.340 -0.139 1
1 6 . 1 1 1 A 7 7 GLY H H 7 7.998 7.839 0.159 1
1 7 . 1 1 1 A 7 7 GLY HA2 H 7 3.978 3.981 -0.003 1
1 8 . 1 1 1 A 7 7 GLY HA3 H 7 3.515 4.016 -0.501 1
1 9 . 1 1 1 A 7 7 GLY CA C 7 44.050 44.692 -0.642 1
1 10 . 1 1 1 A 7 7 GLY N N 7 108.741 107.638 1.103 1
1 11 . 1 1 1 A 8 8 PRO HA H 8 4.324 4.616 -0.292 1
1 18 . 1 1 1 A 8 8 PRO CA C 8 63.624 62.689 0.935 1
1 19 . 1 1 1 A 8 8 PRO CB C 8 32.235 32.812 -0.577 1
1 22 . 1 1 1 A 9 9 SER H H 9 8.323 8.652 -0.329 1
1 23 . 1 1 1 A 9 9 SER HA H 9 4.512 4.681 -0.169 1
1 26 . 1 1 1 A 9 9 SER C C 9 174.410 173.957 0.453 1
1 27 . 1 1 1 A 9 9 SER CA C 9 57.701 57.347 0.354 1
1 28 . 1 1 1 A 9 9 SER CB C 9 63.909 64.144 -0.235 1
1 29 . 1 1 1 A 9 9 SER N N 9 115.299 116.007 -0.708 1
1 30 . 1 1 1 A 10 10 GLY H H 10 7.439 7.993 -0.554 1
1 31 . 1 1 1 A 10 10 GLY HA2 H 10 4.383 4.086 0.297 1
1 32 . 1 1 1 A 10 10 GLY HA3 H 10 3.951 4.138 -0.187 1
1 33 . 1 1 1 A 10 10 GLY C C 10 172.743 172.584 0.159 1
1 34 . 1 1 1 A 10 10 GLY CA C 10 43.924 44.238 -0.314 1
1 35 . 1 1 1 A 10 10 GLY N N 10 107.797 109.738 -1.941 1
1 36 . 1 1 1 A 11 11 PHE H H 11 7.534 8.236 -0.702 1
1 37 . 1 1 1 A 11 11 PHE HA H 11 5.519 5.406 0.113 1
1 44 . 1 1 1 A 11 11 PHE C C 11 173.822 173.481 0.341 1
1 45 . 1 1 1 A 11 11 PHE CA C 11 52.513 54.903 -2.390 1
1 46 . 1 1 1 A 11 11 PHE CB C 11 38.744 41.987 -3.243 1
1 51 . 1 1 1 A 11 11 PHE N N 11 115.246 116.229 -0.983 1
1 52 . 1 1 1 A 12 12 PRO HA H 12 4.285 4.719 -0.434 1
1 59 . 1 1 1 A 12 12 PRO C C 12 175.173 175.381 -0.208 1
1 60 . 1 1 1 A 12 12 PRO CA C 12 63.707 62.606 1.101 1
1 61 . 1 1 1 A 12 12 PRO CB C 12 32.344 33.538 -1.194 1
1 64 . 1 1 1 A 13 13 GLN H H 13 7.469 8.140 -0.671 1
1 65 . 1 1 1 A 13 13 GLN HA H 13 4.511 4.796 -0.285 1
1 72 . 1 1 1 A 13 13 GLN C C 13 175.349 175.158 0.191 1
1 73 . 1 1 1 A 13 13 GLN CA C 13 54.572 54.348 0.224 1
1 74 . 1 1 1 A 13 13 GLN CB C 13 32.848 31.730 1.118 1
1 76 . 1 1 1 A 13 13 GLN N N 13 120.555 118.846 1.709 1
1 78 . 1 1 1 A 14 14 ASN H H 14 8.978 8.874 0.104 1
1 79 . 1 1 1 A 14 14 ASN HA H 14 4.424 4.433 -0.009 1
1 84 . 1 1 1 A 14 14 ASN C C 14 174.770 173.885 0.885 1
1 85 . 1 1 1 A 14 14 ASN CA C 14 54.079 54.178 -0.099 1
1 86 . 1 1 1 A 14 14 ASN CB C 14 37.343 36.822 0.521 1
1 87 . 1 1 1 A 14 14 ASN N N 14 114.024 115.988 -1.964 1
1 89 . 1 1 1 A 15 15 LEU H H 15 8.437 7.974 0.463 1
1 90 . 1 1 1 A 15 15 LEU HA H 15 5.062 4.575 0.487 1
1 100 . 1 1 1 A 15 15 LEU C C 15 177.001 175.539 1.462 1
1 101 . 1 1 1 A 15 15 LEU CA C 15 56.667 55.336 1.331 1
1 102 . 1 1 1 A 15 15 LEU CB C 15 41.720 42.760 -1.040 1
1 106 . 1 1 1 A 15 15 LEU N N 15 121.843 121.644 0.199 1
1 107 . 1 1 1 A 16 16 HIS H H 16 9.492 8.308 1.184 1
1 108 . 1 1 1 A 16 16 HIS HA H 16 4.987 5.194 -0.207 1
1 113 . 1 1 1 A 16 16 HIS C C 16 171.333 171.679 -0.346 1
1 114 . 1 1 1 A 16 16 HIS CA C 16 55.153 54.637 0.516 1
1 115 . 1 1 1 A 16 16 HIS CB C 16 30.515 31.719 -1.204 1
1 118 . 1 1 1 A 16 16 HIS N N 16 121.636 121.173 0.463 1
1 119 . 1 1 1 A 17 17 VAL H H 17 8.606 8.728 -0.122 1
1 120 . 1 1 1 A 17 17 VAL HA H 17 4.663 4.412 0.251 1
1 128 . 1 1 1 A 17 17 VAL C C 17 177.740 176.213 1.527 1
1 129 . 1 1 1 A 17 17 VAL CA C 17 61.771 61.704 0.067 1
1 130 . 1 1 1 A 17 17 VAL CB C 17 33.476 33.176 0.300 1
1 133 . 1 1 1 A 17 17 VAL N N 17 120.868 119.575 1.293 1
1 134 . 1 1 1 A 18 18 THR H H 18 9.022 8.885 0.137 1
1 135 . 1 1 1 A 18 18 THR HA H 18 4.516 4.402 0.114 1
1 140 . 1 1 1 A 18 18 THR C C 18 174.913 174.718 0.195 1
1 141 . 1 1 1 A 18 18 THR CA C 18 61.472 63.623 -2.151 1
1 142 . 1 1 1 A 18 18 THR CB C 18 68.725 70.128 -1.403 1
1 144 . 1 1 1 A 18 18 THR N N 18 117.096 122.045 -4.949 1
1 145 . 1 1 1 A 19 19 GLY H H 19 7.443 7.391 0.052 1
1 146 . 1 1 1 A 19 19 GLY HA2 H 19 4.177 4.051 0.126 1
1 147 . 1 1 1 A 19 19 GLY HA3 H 19 3.909 4.059 -0.150 1
1 148 . 1 1 1 A 19 19 GLY C C 19 170.720 172.942 -2.222 1
1 149 . 1 1 1 A 19 19 GLY CA C 19 45.877 45.641 0.236 1
1 150 . 1 1 1 A 19 19 GLY N N 19 111.594 108.315 3.279 1
1 151 . 1 1 1 A 20 20 LEU H H 20 8.400 8.493 -0.093 1
1 152 . 1 1 1 A 20 20 LEU HA H 20 4.803 4.414 0.389 1
1 162 . 1 1 1 A 20 20 LEU C C 20 175.350 176.048 -0.698 1
1 163 . 1 1 1 A 20 20 LEU CA C 20 55.557 54.392 1.165 1
1 164 . 1 1 1 A 20 20 LEU CB C 20 46.554 43.368 3.186 1
1 168 . 1 1 1 A 20 20 LEU N N 20 121.661 121.050 0.611 1
1 169 . 1 1 1 A 21 21 THR H H 21 7.720 8.451 -0.731 1
1 170 . 1 1 1 A 21 21 THR HA H 21 4.900 4.682 0.218 1
1 175 . 1 1 1 A 21 21 THR C C 21 174.986 175.048 -0.062 1
1 176 . 1 1 1 A 21 21 THR CA C 21 61.049 61.066 -0.017 1
1 177 . 1 1 1 A 21 21 THR CB C 21 71.081 73.013 -1.932 1
1 179 . 1 1 1 A 21 21 THR N N 21 112.043 112.331 -0.288 1
1 180 . 1 1 1 A 22 22 THR H H 22 7.782 8.738 -0.956 1
1 181 . 1 1 1 A 22 22 THR HA H 22 4.657 4.313 0.344 1
1 186 . 1 1 1 A 22 22 THR C C 22 174.110 175.982 -1.872 1
1 187 . 1 1 1 A 22 22 THR CA C 22 63.654 65.698 -2.044 1
1 188 . 1 1 1 A 22 22 THR CB C 22 69.834 68.442 1.392 1
1 190 . 1 1 1 A 22 22 THR N N 22 110.558 119.230 -8.672 1
1 191 . 1 1 1 A 23 23 SER H H 23 7.289 7.664 -0.375 1
1 192 . 1 1 1 A 23 23 SER HA H 23 4.717 4.843 -0.126 1
1 195 . 1 1 1 A 23 23 SER C C 23 173.680 174.429 -0.749 1
1 196 . 1 1 1 A 23 23 SER CA C 23 57.212 60.589 -3.377 1
1 197 . 1 1 1 A 23 23 SER CB C 23 66.012 64.428 1.584 1
1 198 . 1 1 1 A 23 23 SER N N 23 107.116 116.156 -9.040 1
1 199 . 1 1 1 A 24 24 THR H H 24 7.174 7.639 -0.465 1
1 200 . 1 1 1 A 24 24 THR HA H 24 5.377 4.694 0.683 1
1 205 . 1 1 1 A 24 24 THR C C 24 176.427 173.367 3.060 1
1 206 . 1 1 1 A 24 24 THR CA C 24 58.656 60.370 -1.714 1
1 207 . 1 1 1 A 24 24 THR CB C 24 73.018 71.343 1.675 1
1 209 . 1 1 1 A 24 24 THR N N 24 111.053 112.256 -1.203 1
1 210 . 1 1 1 A 25 25 THR H H 25 8.180 8.258 -0.078 1
1 211 . 1 1 1 A 25 25 THR HA H 25 4.608 4.893 -0.285 1
1 216 . 1 1 1 A 25 25 THR C C 25 170.451 173.508 -3.057 1
1 217 . 1 1 1 A 25 25 THR CA C 25 63.619 61.527 2.092 1
1 218 . 1 1 1 A 25 25 THR CB C 25 75.464 71.541 3.923 1
1 220 . 1 1 1 A 25 25 THR N N 25 117.664 116.086 1.578 1
1 221 . 1 1 1 A 26 26 GLU H H 26 9.197 8.713 0.484 1
1 222 . 1 1 1 A 26 26 GLU HA H 26 4.706 4.524 0.182 1
1 227 . 1 1 1 A 26 26 GLU C C 26 174.626 175.544 -0.918 1
1 228 . 1 1 1 A 26 26 GLU CA C 26 55.751 57.120 -1.369 1
1 229 . 1 1 1 A 26 26 GLU CB C 26 30.917 30.794 0.123 1
1 231 . 1 1 1 A 26 26 GLU N N 26 130.706 126.758 3.948 1
1 232 . 1 1 1 A 27 27 LEU H H 27 9.001 8.458 0.543 1
1 233 . 1 1 1 A 27 27 LEU HA H 27 5.273 5.313 -0.040 1
1 243 . 1 1 1 A 27 27 LEU C C 27 176.770 175.609 1.161 1
1 244 . 1 1 1 A 27 27 LEU CA C 27 53.165 53.596 -0.431 1
1 245 . 1 1 1 A 27 27 LEU CB C 27 47.693 47.156 0.537 1
1 249 . 1 1 1 A 27 27 LEU N N 27 124.564 120.752 3.812 1
1 250 . 1 1 1 A 28 28 ALA H H 28 8.640 8.520 0.120 1
1 251 . 1 1 1 A 28 28 ALA HA H 28 4.577 4.706 -0.129 1
1 255 . 1 1 1 A 28 28 ALA C C 28 174.523 175.207 -0.684 1
1 256 . 1 1 1 A 28 28 ALA CA C 28 51.404 52.008 -0.604 1
1 257 . 1 1 1 A 28 28 ALA CB C 28 23.304 20.764 2.540 1
1 258 . 1 1 1 A 28 28 ALA N N 28 122.531 121.450 1.081 1
1 259 . 1 1 1 A 29 29 TRP H H 29 7.581 8.202 -0.621 1
1 260 . 1 1 1 A 29 29 TRP HA H 29 4.868 5.661 -0.793 1
1 269 . 1 1 1 A 29 29 TRP C C 29 172.280 173.456 -1.176 1
1 270 . 1 1 1 A 29 29 TRP CA C 29 56.948 54.387 2.561 1
1 271 . 1 1 1 A 29 29 TRP CB C 29 29.667 32.248 -2.581 1
1 277 . 1 1 1 A 29 29 TRP N N 29 115.551 120.910 -5.359 1
1 279 . 1 1 1 A 30 30 ASP H H 30 9.276 9.427 -0.151 1
1 280 . 1 1 1 A 30 30 ASP HA H 30 5.443 5.072 0.371 1
1 283 . 1 1 1 A 30 30 ASP C C 30 173.846 173.559 0.287 1
1 284 . 1 1 1 A 30 30 ASP CA C 30 51.562 50.911 0.651 1
1 285 . 1 1 1 A 30 30 ASP CB C 30 42.533 42.406 0.127 1
1 286 . 1 1 1 A 30 30 ASP N N 30 117.265 119.814 -2.549 1
1 287 . 1 1 1 A 31 31 PRO HA H 31 5.105 4.906 0.199 1
1 294 . 1 1 1 A 31 31 PRO CA C 31 61.905 61.513 0.392 1
1 295 . 1 1 1 A 31 31 PRO CB C 31 29.864 31.433 -1.569 1
1 298 . 1 1 1 A 32 32 PRO HA H 32 4.580 4.492 0.088 1
1 305 . 1 1 1 A 32 32 PRO CA C 32 62.036 62.753 -0.717 1
1 306 . 1 1 1 A 32 32 PRO CB C 32 30.840 32.154 -1.314 1
1 309 . 1 1 1 A 33 33 VAL H H 33 8.755 8.099 0.656 1
1 310 . 1 1 1 A 33 33 VAL HA H 33 3.994 4.263 -0.269 1
1 318 . 1 1 1 A 33 33 VAL CA C 33 62.553 62.169 0.384 1
1 319 . 1 1 1 A 33 33 VAL CB C 33 31.763 32.725 -0.962 1
1 322 . 1 1 1 A 33 33 VAL N N 33 120.113 119.812 0.301 1
1 323 . 1 1 1 A 34 34 LEU H H 34 8.469 8.758 -0.289 1
1 324 . 1 1 1 A 34 34 LEU HA H 34 3.768 3.874 -0.106 1
1 334 . 1 1 1 A 34 34 LEU CA C 34 58.809 57.939 0.870 1
1 335 . 1 1 1 A 34 34 LEU CB C 34 42.426 41.533 0.893 1
1 339 . 1 1 1 A 34 34 LEU N N 34 125.095 123.331 1.764 1
1 340 . 1 1 1 A 35 35 ALA H H 35 8.586 7.819 0.767 1
1 341 . 1 1 1 A 35 35 ALA HA H 35 4.171 4.104 0.067 1
1 345 . 1 1 1 A 35 35 ALA CA C 35 53.957 55.187 -1.230 1
1 346 . 1 1 1 A 35 35 ALA CB C 35 19.056 18.546 0.510 1
1 347 . 1 1 1 A 35 35 ALA N N 35 119.010 122.086 -3.076 1
1 348 . 1 1 1 A 36 36 GLU H H 36 8.070 7.453 0.617 1
1 349 . 1 1 1 A 36 36 GLU HA H 36 4.305 4.415 -0.110 1
1 354 . 1 1 1 A 36 36 GLU CA C 36 55.527 55.528 -0.001 1
1 355 . 1 1 1 A 36 36 GLU CB C 36 29.845 28.300 1.545 1
1 357 . 1 1 1 A 36 36 GLU N N 36 115.604 114.774 0.830 1
1 358 . 1 1 1 A 37 37 ARG HA H 37 3.758 4.881 -1.123 1
1 365 . 1 1 1 A 37 37 ARG CA C 37 60.050 54.280 5.770 1
1 366 . 1 1 1 A 37 37 ARG CB C 37 30.804 32.558 -1.754 1
1 369 . 1 1 1 A 37 37 ARG N N 37 122.198 122.738 -0.540 1
1 370 . 1 1 1 A 38 38 ASN H H 38 8.093 8.938 -0.845 1
1 371 . 1 1 1 A 38 38 ASN HA H 38 4.291 4.913 -0.622 1
1 376 . 1 1 1 A 38 38 ASN C C 38 174.619 174.683 -0.064 1
1 377 . 1 1 1 A 38 38 ASN CA C 38 53.287 52.974 0.313 1
1 378 . 1 1 1 A 38 38 ASN CB C 38 37.482 38.814 -1.332 1
1 379 . 1 1 1 A 38 38 ASN N N 38 109.319 121.922 -12.603 1
1 381 . 1 1 1 A 39 39 GLY H H 39 7.575 7.527 0.048 1
1 382 . 1 1 1 A 39 39 GLY HA2 H 39 4.320 4.163 0.157 1
1 383 . 1 1 1 A 39 39 GLY HA3 H 39 3.697 4.165 -0.468 1
1 384 . 1 1 1 A 39 39 GLY C C 39 172.138 171.953 0.185 1
1 385 . 1 1 1 A 39 39 GLY CA C 39 43.766 45.296 -1.530 1
1 386 . 1 1 1 A 39 39 GLY N N 39 105.607 107.422 -1.815 1
1 387 . 1 1 1 A 40 40 ARG H H 40 8.180 8.590 -0.410 1
1 388 . 1 1 1 A 40 40 ARG HA H 40 4.333 5.187 -0.854 1
1 395 . 1 1 1 A 40 40 ARG C C 40 176.395 174.806 1.589 1
1 396 . 1 1 1 A 40 40 ARG CA C 40 55.453 53.885 1.568 1
1 397 . 1 1 1 A 40 40 ARG CB C 40 30.999 34.097 -3.098 1
1 400 . 1 1 1 A 40 40 ARG N N 40 119.566 120.306 -0.740 1
1 401 . 1 1 1 A 41 41 ILE H H 41 8.991 9.064 -0.073 1
1 402 . 1 1 1 A 41 41 ILE HA H 41 4.256 4.788 -0.532 1
1 412 . 1 1 1 A 41 41 ILE CA C 41 59.279 59.984 -0.705 1
1 413 . 1 1 1 A 41 41 ILE CB C 41 35.329 40.507 -5.178 1
1 417 . 1 1 1 A 41 41 ILE N N 41 127.226 122.144 5.082 1
1 418 . 1 1 1 A 42 42 ILE H H 42 8.721 8.636 0.085 1
1 419 . 1 1 1 A 42 42 ILE HA H 42 4.475 4.524 -0.049 1
1 429 . 1 1 1 A 42 42 ILE C C 42 175.959 175.595 0.364 1
1 430 . 1 1 1 A 42 42 ILE CA C 42 61.208 61.264 -0.056 1
1 431 . 1 1 1 A 42 42 ILE CB C 42 39.771 40.188 -0.417 1
1 435 . 1 1 1 A 42 42 ILE N N 42 122.018 120.586 1.432 1
1 436 . 1 1 1 A 43 43 SER H H 43 7.425 7.809 -0.384 1
1 437 . 1 1 1 A 43 43 SER HA H 43 4.555 4.999 -0.444 1
1 440 . 1 1 1 A 43 43 SER C C 43 170.232 171.621 -1.389 1
1 441 . 1 1 1 A 43 43 SER CA C 43 58.234 57.522 0.712 1
1 442 . 1 1 1 A 43 43 SER CB C 43 64.287 65.445 -1.158 1
1 443 . 1 1 1 A 43 43 SER N N 43 113.043 114.162 -1.119 1
1 444 . 1 1 1 A 44 44 TYR H H 44 9.297 8.512 0.785 1
1 445 . 1 1 1 A 44 44 TYR HA H 44 5.741 5.676 0.065 1
1 452 . 1 1 1 A 44 44 TYR C C 44 175.735 175.167 0.568 1
1 453 . 1 1 1 A 44 44 TYR CA C 44 57.137 56.511 0.626 1
1 454 . 1 1 1 A 44 44 TYR CB C 44 42.410 43.155 -0.745 1
1 459 . 1 1 1 A 44 44 TYR N N 44 116.157 118.628 -2.471 1
1 460 . 1 1 1 A 45 45 THR H H 45 8.778 8.950 -0.172 1
1 461 . 1 1 1 A 45 45 THR HA H 45 5.094 5.168 -0.074 1
1 466 . 1 1 1 A 45 45 THR C C 45 173.026 173.333 -0.307 1
1 467 . 1 1 1 A 45 45 THR CA C 45 61.853 61.667 0.186 1
1 468 . 1 1 1 A 45 45 THR CB C 45 71.072 70.624 0.448 1
1 470 . 1 1 1 A 45 45 THR N N 45 114.801 116.167 -1.366 1
1 471 . 1 1 1 A 46 46 VAL H H 46 9.145 8.890 0.255 1
1 472 . 1 1 1 A 46 46 VAL HA H 46 4.244 4.793 -0.549 1
1 480 . 1 1 1 A 46 46 VAL C C 46 174.278 175.209 -0.931 1
1 481 . 1 1 1 A 46 46 VAL CA C 46 61.137 61.565 -0.428 1
1 482 . 1 1 1 A 46 46 VAL CB C 46 32.999 31.555 1.444 1
1 485 . 1 1 1 A 46 46 VAL N N 46 127.180 127.660 -0.480 1
1 486 . 1 1 1 A 47 47 VAL H H 47 9.041 8.885 0.156 1
1 487 . 1 1 1 A 47 47 VAL HA H 47 5.004 4.577 0.427 1
1 495 . 1 1 1 A 47 47 VAL C C 47 175.023 175.447 -0.424 1
1 496 . 1 1 1 A 47 47 VAL CA C 47 60.996 61.861 -0.865 1
1 497 . 1 1 1 A 47 47 VAL CB C 47 33.488 31.682 1.806 1
1 500 . 1 1 1 A 47 47 VAL N N 47 128.169 128.551 -0.382 1
1 501 . 1 1 1 A 48 48 PHE H H 48 9.169 9.288 -0.119 1
1 502 . 1 1 1 A 48 48 PHE HA H 48 6.209 6.062 0.147 1
1 510 . 1 1 1 A 48 48 PHE C C 48 173.210 173.619 -0.409 1
1 511 . 1 1 1 A 48 48 PHE CA C 48 54.702 55.326 -0.624 1
1 512 . 1 1 1 A 48 48 PHE CB C 48 43.316 42.230 1.086 1
1 518 . 1 1 1 A 48 48 PHE N N 48 123.753 124.577 -0.824 1
1 519 . 1 1 1 A 49 49 ARG H H 49 8.693 8.797 -0.104 1
1 520 . 1 1 1 A 49 49 ARG HA H 49 4.817 4.782 0.035 1
1 528 . 1 1 1 A 49 49 ARG C C 49 175.280 173.979 1.301 1
1 529 . 1 1 1 A 49 49 ARG CA C 49 54.801 54.925 -0.124 1
1 530 . 1 1 1 A 49 49 ARG CB C 49 35.242 34.124 1.118 1
1 533 . 1 1 1 A 49 49 ARG N N 49 118.793 121.230 -2.437 1
1 535 . 1 1 1 A 50 50 ASP H H 50 8.820 8.753 0.067 1
1 536 . 1 1 1 A 50 50 ASP HA H 50 4.029 4.425 -0.396 1
1 539 . 1 1 1 A 50 50 ASP C C 50 178.592 176.937 1.655 1
1 540 . 1 1 1 A 50 50 ASP CA C 50 53.498 53.378 0.120 1
1 541 . 1 1 1 A 50 50 ASP CB C 50 40.543 40.490 0.053 1
1 542 . 1 1 1 A 50 50 ASP N N 50 128.720 125.059 3.661 1
1 543 . 1 1 1 A 51 51 ILE H H 51 8.315 8.401 -0.086 1
1 544 . 1 1 1 A 51 51 ILE HA H 51 3.892 3.727 0.165 1
1 554 . 1 1 1 A 51 51 ILE C C 51 176.905 177.105 -0.200 1
1 555 . 1 1 1 A 51 51 ILE CA C 51 64.569 63.591 0.978 1
1 556 . 1 1 1 A 51 51 ILE CB C 51 38.126 37.627 0.499 1
1 560 . 1 1 1 A 51 51 ILE N N 51 124.642 123.025 1.617 1
1 561 . 1 1 1 A 52 52 ASN H H 52 8.677 7.538 1.139 1
1 562 . 1 1 1 A 52 52 ASN HA H 52 4.760 4.663 0.097 1
1 567 . 1 1 1 A 52 52 ASN C C 52 174.645 175.500 -0.855 1
1 568 . 1 1 1 A 52 52 ASN CA C 52 53.851 54.625 -0.774 1
1 569 . 1 1 1 A 52 52 ASN CB C 52 39.032 39.768 -0.736 1
1 570 . 1 1 1 A 52 52 ASN N N 52 119.201 118.708 0.493 1
1 572 . 1 1 1 A 53 53 SER H H 53 8.409 8.242 0.167 1
1 573 . 1 1 1 A 53 53 SER HA H 53 4.663 4.845 -0.182 1
1 576 . 1 1 1 A 53 53 SER C C 53 173.861 174.393 -0.532 1
1 577 . 1 1 1 A 53 53 SER CA C 53 56.702 57.297 -0.595 1
1 578 . 1 1 1 A 53 53 SER CB C 53 65.730 66.035 -0.305 1
1 579 . 1 1 1 A 53 53 SER N N 53 116.494 113.917 2.577 1
1 580 . 1 1 1 A 54 54 GLN H H 54 8.489 8.470 0.019 1
1 581 . 1 1 1 A 54 54 GLN HA H 54 4.329 4.511 -0.182 1
1 588 . 1 1 1 A 54 54 GLN C C 54 175.789 175.517 0.272 1
1 589 . 1 1 1 A 54 54 GLN CA C 54 55.857 55.092 0.765 1
1 590 . 1 1 1 A 54 54 GLN CB C 54 28.847 28.630 0.217 1
1 592 . 1 1 1 A 54 54 GLN N N 54 119.700 119.304 0.396 1
1 594 . 1 1 1 A 55 55 GLN H H 55 8.108 7.692 0.416 1
1 595 . 1 1 1 A 55 55 GLN HA H 55 4.269 4.503 -0.234 1
1 602 . 1 1 1 A 55 55 GLN C C 55 174.076 174.740 -0.664 1
1 603 . 1 1 1 A 55 55 GLN CA C 55 55.689 55.345 0.344 1
1 604 . 1 1 1 A 55 55 GLN CB C 55 29.352 29.658 -0.306 1
1 606 . 1 1 1 A 55 55 GLN N N 55 120.355 121.708 -1.353 1
1 608 . 1 1 1 A 56 56 GLU H H 56 8.603 8.813 -0.210 1
1 609 . 1 1 1 A 56 56 GLU HA H 56 4.372 4.769 -0.397 1
1 614 . 1 1 1 A 56 56 GLU C C 56 175.058 175.297 -0.239 1
1 615 . 1 1 1 A 56 56 GLU CA C 56 55.594 55.907 -0.313 1
1 616 . 1 1 1 A 56 56 GLU CB C 56 31.640 31.108 0.532 1
1 618 . 1 1 1 A 56 56 GLU N N 56 126.250 128.629 -2.379 1
1 619 . 1 1 1 A 57 57 LEU H H 57 8.520 8.101 0.419 1
1 620 . 1 1 1 A 57 57 LEU HA H 57 4.458 4.652 -0.194 1
1 630 . 1 1 1 A 57 57 LEU C C 57 174.850 174.700 0.150 1
1 631 . 1 1 1 A 57 57 LEU CA C 57 53.780 53.292 0.488 1
1 632 . 1 1 1 A 57 57 LEU CB C 57 43.903 46.099 -2.196 1
1 636 . 1 1 1 A 57 57 LEU N N 57 127.205 126.022 1.183 1
1 637 . 1 1 1 A 58 58 GLN H H 58 7.992 8.527 -0.535 1
1 638 . 1 1 1 A 58 58 GLN HA H 58 5.865 5.429 0.436 1
1 645 . 1 1 1 A 58 58 GLN C C 58 175.948 174.419 1.529 1
1 646 . 1 1 1 A 58 58 GLN CA C 58 53.944 53.844 0.100 1
1 647 . 1 1 1 A 58 58 GLN CB C 58 32.786 33.335 -0.549 1
1 649 . 1 1 1 A 58 58 GLN N N 58 113.562 119.707 -6.145 1
1 651 . 1 1 1 A 59 59 ASN H H 59 9.073 8.711 0.362 1
1 652 . 1 1 1 A 59 59 ASN HA H 59 5.068 5.383 -0.315 1
1 657 . 1 1 1 A 59 59 ASN C C 59 172.790 174.174 -1.384 1
1 658 . 1 1 1 A 59 59 ASN CA C 59 53.023 51.722 1.301 1
1 659 . 1 1 1 A 59 59 ASN CB C 59 45.541 42.773 2.768 1
1 660 . 1 1 1 A 59 59 ASN N N 59 119.984 116.941 3.043 1
1 662 . 1 1 1 A 60 60 ILE H H 60 8.491 8.425 0.066 1
1 663 . 1 1 1 A 60 60 ILE HA H 60 5.147 5.046 0.101 1
1 673 . 1 1 1 A 60 60 ILE C C 60 175.088 174.633 0.455 1
1 674 . 1 1 1 A 60 60 ILE CA C 60 59.853 60.188 -0.335 1
1 675 . 1 1 1 A 60 60 ILE CB C 60 40.891 41.224 -0.333 1
1 679 . 1 1 1 A 60 60 ILE N N 60 119.480 120.629 -1.149 1
1 680 . 1 1 1 A 61 61 THR H H 61 8.755 8.331 0.424 1
1 681 . 1 1 1 A 61 61 THR HA H 61 4.976 5.154 -0.178 1
1 686 . 1 1 1 A 61 61 THR C C 61 172.097 173.616 -1.519 1
1 687 . 1 1 1 A 61 61 THR CA C 61 59.905 60.434 -0.529 1
1 688 . 1 1 1 A 61 61 THR CB C 61 69.505 71.390 -1.885 1
1 690 . 1 1 1 A 61 61 THR N N 61 118.083 119.731 -1.648 1
1 691 . 1 1 1 A 62 62 THR H H 62 8.325 8.577 -0.252 1
1 692 . 1 1 1 A 62 62 THR HA H 62 4.641 4.562 0.079 1
1 697 . 1 1 1 A 62 62 THR C C 62 174.386 173.413 0.973 1
1 698 . 1 1 1 A 62 62 THR CA C 62 62.440 62.187 0.253 1
1 699 . 1 1 1 A 62 62 THR CB C 62 69.355 68.758 0.597 1
1 701 . 1 1 1 A 62 62 THR N N 62 115.077 117.539 -2.462 1
1 702 . 1 1 1 A 63 63 ASP H H 63 8.611 7.697 0.914 1
1 703 . 1 1 1 A 63 63 ASP HA H 63 4.962 5.105 -0.143 1
1 706 . 1 1 1 A 63 63 ASP C C 63 172.906 176.586 -3.680 1
1 707 . 1 1 1 A 63 63 ASP CA C 63 52.981 53.080 -0.099 1
1 708 . 1 1 1 A 63 63 ASP CB C 63 43.465 44.722 -1.257 1
1 709 . 1 1 1 A 63 63 ASP N N 63 125.713 121.596 4.117 1
1 710 . 1 1 1 A 64 64 THR H H 64 7.925 8.322 -0.397 1
1 711 . 1 1 1 A 64 64 THR HA H 64 3.088 3.685 -0.597 1
1 716 . 1 1 1 A 64 64 THR C C 64 172.176 171.854 0.322 1
1 717 . 1 1 1 A 64 64 THR CA C 64 59.078 61.315 -2.237 1
1 718 . 1 1 1 A 64 64 THR CB C 64 66.137 68.153 -2.016 1
1 720 . 1 1 1 A 64 64 THR N N 64 104.287 112.469 -8.182 1
1 721 . 1 1 1 A 65 65 ARG H H 65 6.387 7.322 -0.935 1
1 722 . 1 1 1 A 65 65 ARG HA H 65 4.221 3.693 0.528 1
1 729 . 1 1 1 A 65 65 ARG C C 65 174.862 174.094 0.768 1
1 730 . 1 1 1 A 65 65 ARG CA C 65 54.132 53.484 0.648 1
1 731 . 1 1 1 A 65 65 ARG CB C 65 32.928 33.883 -0.955 1
1 734 . 1 1 1 A 65 65 ARG N N 65 115.062 118.437 -3.375 1
1 735 . 1 1 1 A 66 66 PHE H H 66 8.177 8.997 -0.820 1
1 736 . 1 1 1 A 66 66 PHE HA H 66 4.373 4.880 -0.507 1
1 744 . 1 1 1 A 66 66 PHE C C 66 172.804 173.190 -0.386 1
1 745 . 1 1 1 A 66 66 PHE CA C 66 59.536 58.221 1.315 1
1 746 . 1 1 1 A 66 66 PHE CB C 66 44.469 41.458 3.011 1
1 752 . 1 1 1 A 66 66 PHE N N 66 119.991 119.559 0.432 1
1 753 . 1 1 1 A 67 67 THR H H 67 7.332 7.360 -0.028 1
1 754 . 1 1 1 A 67 67 THR HA H 67 4.628 5.164 -0.536 1
1 759 . 1 1 1 A 67 67 THR C C 67 172.910 173.846 -0.936 1
1 760 . 1 1 1 A 67 67 THR CA C 67 61.261 61.181 0.080 1
1 761 . 1 1 1 A 67 67 THR CB C 67 69.260 71.381 -2.121 1
1 763 . 1 1 1 A 67 67 THR N N 67 123.294 116.825 6.469 1
1 764 . 1 1 1 A 68 68 LEU H H 68 8.776 9.213 -0.437 1
1 765 . 1 1 1 A 68 68 LEU HA H 68 4.192 4.330 -0.138 1
1 775 . 1 1 1 A 68 68 LEU C C 68 176.337 175.867 0.470 1
1 776 . 1 1 1 A 68 68 LEU CA C 68 54.394 54.687 -0.293 1
1 777 . 1 1 1 A 68 68 LEU CB C 68 42.394 42.121 0.273 1
1 781 . 1 1 1 A 68 68 LEU N N 68 126.969 127.890 -0.921 1
1 782 . 1 1 1 A 69 69 THR H H 69 7.921 8.253 -0.332 1
1 783 . 1 1 1 A 69 69 THR HA H 69 4.814 4.671 0.143 1
1 788 . 1 1 1 A 69 69 THR C C 69 173.856 173.570 0.286 1
1 789 . 1 1 1 A 69 69 THR CA C 69 59.694 60.521 -0.827 1
1 790 . 1 1 1 A 69 69 THR CB C 69 71.829 71.431 0.398 1
1 792 . 1 1 1 A 69 69 THR N N 69 111.246 111.323 -0.077 1
1 793 . 1 1 1 A 70 70 GLY H H 70 8.894 8.660 0.234 1
1 794 . 1 1 1 A 70 70 GLY HA2 H 70 3.930 3.852 0.078 1
1 795 . 1 1 1 A 70 70 GLY HA3 H 70 3.809 3.874 -0.065 1
1 796 . 1 1 1 A 70 70 GLY C C 70 175.589 174.558 1.031 1
1 797 . 1 1 1 A 70 70 GLY CA C 70 46.178 46.803 -0.625 1
1 798 . 1 1 1 A 70 70 GLY N N 70 107.415 112.399 -4.984 1
1 799 . 1 1 1 A 71 71 LEU H H 71 8.341 7.617 0.724 1
1 800 . 1 1 1 A 71 71 LEU HA H 71 4.195 4.738 -0.543 1
1 810 . 1 1 1 A 71 71 LEU C C 71 175.422 175.511 -0.089 1
1 811 . 1 1 1 A 71 71 LEU CA C 71 53.429 53.144 0.285 1
1 812 . 1 1 1 A 71 71 LEU CB C 71 40.650 43.727 -3.077 1
1 816 . 1 1 1 A 71 71 LEU N N 71 118.621 120.180 -1.559 1
1 817 . 1 1 1 A 72 72 LYS H H 72 8.298 9.319 -1.021 1
1 818 . 1 1 1 A 72 72 LYS HA H 72 4.631 4.524 0.107 1
1 827 . 1 1 1 A 72 72 LYS C C 72 174.599 175.473 -0.874 1
1 828 . 1 1 1 A 72 72 LYS CA C 72 53.851 54.352 -0.501 1
1 829 . 1 1 1 A 72 72 LYS CB C 72 33.619 33.559 0.060 1
1 833 . 1 1 1 A 72 72 LYS N N 72 121.340 122.403 -1.063 1
1 834 . 1 1 1 A 73 73 PRO HA H 73 5.086 4.672 0.414 1
1 841 . 1 1 1 A 73 73 PRO C C 73 178.198 177.246 0.952 1
1 842 . 1 1 1 A 73 73 PRO CA C 73 62.897 63.337 -0.440 1
1 843 . 1 1 1 A 73 73 PRO CB C 73 33.198 32.206 0.992 1
1 846 . 1 1 1 A 74 74 ASP H H 74 7.537 9.028 -1.491 1
1 847 . 1 1 1 A 74 74 ASP HA H 74 4.290 4.279 0.011 1
1 850 . 1 1 1 A 74 74 ASP C C 74 174.390 174.652 -0.262 1
1 851 . 1 1 1 A 74 74 ASP CA C 74 54.343 55.179 -0.836 1
1 852 . 1 1 1 A 74 74 ASP CB C 74 41.393 39.739 1.654 1
1 853 . 1 1 1 A 74 74 ASP N N 74 126.834 121.336 5.498 1
1 854 . 1 1 1 A 75 75 THR H H 75 8.197 7.292 0.905 1
1 855 . 1 1 1 A 75 75 THR HA H 75 4.316 4.787 -0.471 1
1 860 . 1 1 1 A 75 75 THR C C 75 172.076 173.403 -1.327 1
1 861 . 1 1 1 A 75 75 THR CA C 75 63.087 61.240 1.847 1
1 862 . 1 1 1 A 75 75 THR CB C 75 71.822 71.970 -0.148 1
1 864 . 1 1 1 A 75 75 THR N N 75 113.905 112.596 1.309 1
1 865 . 1 1 1 A 76 76 THR H H 76 8.606 8.720 -0.114 1
1 866 . 1 1 1 A 76 76 THR HA H 76 4.641 4.360 0.281 1
1 871 . 1 1 1 A 76 76 THR C C 76 172.308 173.923 -1.615 1
1 872 . 1 1 1 A 76 76 THR CA C 76 63.197 63.570 -0.373 1
1 873 . 1 1 1 A 76 76 THR CB C 76 68.333 69.014 -0.681 1
1 875 . 1 1 1 A 76 76 THR N N 76 124.170 121.485 2.685 1
1 876 . 1 1 1 A 77 77 TYR H H 77 9.230 8.944 0.286 1
1 877 . 1 1 1 A 77 77 TYR HA H 77 5.084 5.027 0.057 1
1 884 . 1 1 1 A 77 77 TYR C C 77 174.065 174.412 -0.347 1
1 885 . 1 1 1 A 77 77 TYR CA C 77 57.443 56.306 1.137 1
1 886 . 1 1 1 A 77 77 TYR CB C 77 41.115 40.077 1.038 1
1 891 . 1 1 1 A 77 77 TYR N N 77 125.729 126.850 -1.121 1
1 892 . 1 1 1 A 78 78 ASP H H 78 9.222 9.396 -0.174 1
1 893 . 1 1 1 A 78 78 ASP HA H 78 5.288 4.794 0.494 1
1 896 . 1 1 1 A 78 78 ASP C C 78 176.268 174.794 1.474 1
1 897 . 1 1 1 A 78 78 ASP CA C 78 53.565 54.121 -0.556 1
1 898 . 1 1 1 A 78 78 ASP CB C 78 44.874 40.852 4.022 1
1 899 . 1 1 1 A 78 78 ASP N N 78 124.016 125.549 -1.533 1
1 900 . 1 1 1 A 79 79 ILE H H 79 9.210 8.526 0.684 1
1 901 . 1 1 1 A 79 79 ILE HA H 79 5.027 5.319 -0.292 1
1 911 . 1 1 1 A 79 79 ILE C C 79 172.968 174.728 -1.760 1
1 912 . 1 1 1 A 79 79 ILE CA C 79 61.102 59.975 1.127 1
1 913 . 1 1 1 A 79 79 ILE CB C 79 41.830 40.397 1.433 1
1 917 . 1 1 1 A 79 79 ILE N N 79 127.527 127.463 0.064 1
1 918 . 1 1 1 A 80 80 LYS H H 80 8.930 9.079 -0.149 1
1 919 . 1 1 1 A 80 80 LYS HA H 80 4.282 5.048 -0.766 1
1 928 . 1 1 1 A 80 80 LYS C C 80 173.716 174.305 -0.589 1
1 929 . 1 1 1 A 80 80 LYS CA C 80 54.749 53.930 0.819 1
1 930 . 1 1 1 A 80 80 LYS CB C 80 37.864 36.849 1.015 1
1 934 . 1 1 1 A 80 80 LYS N N 80 122.620 124.501 -1.881 1
1 935 . 1 1 1 A 81 81 VAL H H 81 8.070 8.897 -0.827 1
1 936 . 1 1 1 A 81 81 VAL HA H 81 5.365 5.044 0.321 1
1 944 . 1 1 1 A 81 81 VAL C C 81 174.099 173.595 0.504 1
1 945 . 1 1 1 A 81 81 VAL CA C 81 59.228 59.321 -0.093 1
1 946 . 1 1 1 A 81 81 VAL CB C 81 36.108 35.080 1.028 1
1 949 . 1 1 1 A 81 81 VAL N N 81 115.045 119.087 -4.042 1
1 950 . 1 1 1 A 82 82 ARG H H 82 8.733 8.882 -0.149 1
1 951 . 1 1 1 A 82 82 ARG HA H 82 4.984 5.037 -0.053 1
1 959 . 1 1 1 A 82 82 ARG C C 82 172.874 174.711 -1.837 1
1 960 . 1 1 1 A 82 82 ARG CA C 82 53.552 54.776 -1.224 1
1 961 . 1 1 1 A 82 82 ARG CB C 82 34.521 33.942 0.579 1
1 964 . 1 1 1 A 82 82 ARG N N 82 122.032 123.783 -1.751 1
1 966 . 1 1 1 A 83 83 ALA H H 83 9.221 8.577 0.644 1
1 967 . 1 1 1 A 83 83 ALA HA H 83 5.132 3.917 1.215 1
1 971 . 1 1 1 A 83 83 ALA C C 83 174.998 177.000 -2.002 1
1 972 . 1 1 1 A 83 83 ALA CA C 83 50.383 51.841 -1.458 1
1 973 . 1 1 1 A 83 83 ALA CB C 83 23.472 19.705 3.767 1
1 974 . 1 1 1 A 83 83 ALA N N 83 124.044 125.729 -1.685 1
1 975 . 1 1 1 A 84 84 TRP H H 84 8.387 8.599 -0.212 1
1 976 . 1 1 1 A 84 84 TRP HA H 84 5.020 5.255 -0.235 1
1 985 . 1 1 1 A 84 84 TRP C C 84 177.430 175.284 2.146 1
1 986 . 1 1 1 A 84 84 TRP CA C 84 56.807 56.401 0.406 1
1 987 . 1 1 1 A 84 84 TRP CB C 84 31.235 33.194 -1.959 1
1 993 . 1 1 1 A 84 84 TRP N N 84 117.779 120.287 -2.508 1
1 995 . 1 1 1 A 85 85 THR H H 85 8.698 8.735 -0.037 1
1 996 . 1 1 1 A 85 85 THR HA H 85 5.190 5.276 -0.086 1
1 1001 . 1 1 1 A 85 85 THR C C 85 176.429 175.579 0.850 1
1 1002 . 1 1 1 A 85 85 THR CA C 85 59.958 59.909 0.049 1
1 1003 . 1 1 1 A 85 85 THR CB C 85 72.646 71.777 0.869 1
1 1005 . 1 1 1 A 85 85 THR N N 85 111.404 113.172 -1.768 1
1 1006 . 1 1 1 A 86 86 SER H H 86 9.765 9.178 0.587 1
1 1007 . 1 1 1 A 86 86 SER HA H 86 4.242 4.186 0.056 1
1 1010 . 1 1 1 A 86 86 SER C C 86 174.834 176.408 -1.574 1
1 1011 . 1 1 1 A 86 86 SER CA C 86 61.014 61.077 -0.063 1
1 1012 . 1 1 1 A 86 86 SER CB C 86 62.807 62.811 -0.004 1
1 1013 . 1 1 1 A 86 86 SER N N 86 115.745 118.079 -2.334 1
1 1014 . 1 1 1 A 87 87 LYS H H 87 7.947 7.771 0.176 1
1 1015 . 1 1 1 A 87 87 LYS HA H 87 4.426 4.236 0.190 1
1 1024 . 1 1 1 A 87 87 LYS C C 87 176.373 176.923 -0.550 1
1 1025 . 1 1 1 A 87 87 LYS CA C 87 55.857 58.556 -2.699 1
1 1026 . 1 1 1 A 87 87 LYS CB C 87 33.386 33.020 0.366 1
1 1030 . 1 1 1 A 87 87 LYS N N 87 118.254 118.475 -0.221 1
1 1031 . 1 1 1 A 88 88 GLY H H 88 7.400 6.962 0.438 1
1 1032 . 1 1 1 A 88 88 GLY HA2 H 88 4.446 4.079 0.367 1
1 1033 . 1 1 1 A 88 88 GLY HA3 H 88 3.990 4.202 -0.212 1
1 1034 . 1 1 1 A 88 88 GLY C C 88 171.366 171.443 -0.077 1
1 1035 . 1 1 1 A 88 88 GLY CA C 88 45.006 45.975 -0.969 1
1 1036 . 1 1 1 A 88 88 GLY N N 88 106.086 103.968 2.118 1
1 1037 . 1 1 1 A 89 89 SER H H 89 8.048 8.216 -0.168 1
1 1038 . 1 1 1 A 89 89 SER HA H 89 3.899 4.473 -0.574 1
1 1041 . 1 1 1 A 89 89 SER CA C 89 56.522 55.035 1.487 1
1 1042 . 1 1 1 A 89 89 SER CB C 89 63.965 65.031 -1.066 1
1 1043 . 1 1 1 A 89 89 SER N N 89 113.549 116.447 -2.898 1
1 1044 . 1 1 1 A 90 90 GLY H H 90 8.282 7.929 0.353 1
1 1045 . 1 1 1 A 90 90 GLY HA2 H 90 4.637 3.998 0.639 1
1 1046 . 1 1 1 A 90 90 GLY HA3 H 90 3.696 4.003 -0.307 1
1 1047 . 1 1 1 A 90 90 GLY CA C 90 44.399 44.026 0.373 1
1 1048 . 1 1 1 A 90 90 GLY N N 90 109.030 110.926 -1.896 1
1 1049 . 1 1 1 A 91 91 PRO HA H 91 4.448 4.538 -0.090 1
1 1056 . 1 1 1 A 91 91 PRO C C 91 177.760 175.120 2.640 1
1 1057 . 1 1 1 A 91 91 PRO CA C 91 62.229 62.520 -0.291 1
1 1058 . 1 1 1 A 91 91 PRO CB C 91 32.367 33.244 -0.877 1
1 1061 . 1 1 1 A 92 92 LEU H H 92 8.373 8.331 0.042 1
1 1062 . 1 1 1 A 92 92 LEU HA H 92 4.110 4.748 -0.638 1
1 1072 . 1 1 1 A 92 92 LEU C C 92 176.841 176.421 0.420 1
1 1073 . 1 1 1 A 92 92 LEU CA C 92 55.163 53.390 1.773 1
1 1074 . 1 1 1 A 92 92 LEU CB C 92 43.188 43.562 -0.374 1
1 1078 . 1 1 1 A 92 92 LEU N N 92 121.096 122.001 -0.905 1
1 1079 . 1 1 1 A 93 93 SER H H 93 8.629 9.217 -0.588 1
1 1080 . 1 1 1 A 93 93 SER HA H 93 3.683 4.335 -0.652 1
1 1083 . 1 1 1 A 93 93 SER C C 93 171.637 173.703 -2.066 1
1 1084 . 1 1 1 A 93 93 SER CA C 93 56.900 56.930 -0.030 1
1 1085 . 1 1 1 A 93 93 SER CB C 93 62.923 62.787 0.136 1
1 1086 . 1 1 1 A 93 93 SER N N 93 116.072 121.064 -4.992 1
1 1087 . 1 1 1 A 94 94 PRO HA H 94 4.330 4.514 -0.184 1
1 1094 . 1 1 1 A 94 94 PRO C C 94 178.093 177.190 0.903 1
1 1095 . 1 1 1 A 94 94 PRO CA C 94 63.309 62.597 0.712 1
1 1096 . 1 1 1 A 94 94 PRO CB C 94 31.463 31.773 -0.310 1
1 1099 . 1 1 1 A 95 95 SER H H 95 8.722 8.336 0.386 1
1 1100 . 1 1 1 A 95 95 SER HA H 95 4.923 4.956 -0.033 1
1 1103 . 1 1 1 A 95 95 SER C C 95 176.215 175.269 0.946 1
1 1104 . 1 1 1 A 95 95 SER CA C 95 58.955 58.064 0.891 1
1 1105 . 1 1 1 A 95 95 SER CB C 95 64.884 64.249 0.635 1
1 1106 . 1 1 1 A 95 95 SER N N 95 122.184 115.122 7.062 1
1 1107 . 1 1 1 A 96 96 ILE H H 96 8.915 8.498 0.417 1
1 1108 . 1 1 1 A 96 96 ILE HA H 96 4.609 4.492 0.117 1
1 1118 . 1 1 1 A 96 96 ILE C C 96 174.546 176.292 -1.746 1
1 1119 . 1 1 1 A 96 96 ILE CA C 96 59.782 61.089 -1.307 1
1 1120 . 1 1 1 A 96 96 ILE CB C 96 40.995 39.878 1.117 1
1 1124 . 1 1 1 A 96 96 ILE N N 96 115.463 119.576 -4.113 1
1 1125 . 1 1 1 A 97 97 GLN H H 97 8.292 7.838 0.454 1
1 1126 . 1 1 1 A 97 97 GLN HA H 97 5.849 4.320 1.529 1
1 1133 . 1 1 1 A 97 97 GLN C C 97 176.173 174.593 1.580 1
1 1134 . 1 1 1 A 97 97 GLN CA C 97 54.361 56.948 -2.587 1
1 1135 . 1 1 1 A 97 97 GLN CB C 97 31.102 26.474 4.628 1
1 1137 . 1 1 1 A 97 97 GLN N N 97 117.686 118.045 -0.359 1
1 1139 . 1 1 1 A 98 98 SER H H 98 8.751 7.827 0.924 1
1 1140 . 1 1 1 A 98 98 SER HA H 98 4.618 4.530 0.088 1
1 1143 . 1 1 1 A 98 98 SER C C 98 172.310 173.490 -1.180 1
1 1144 . 1 1 1 A 98 98 SER CA C 98 57.019 58.048 -1.029 1
1 1145 . 1 1 1 A 98 98 SER CB C 98 64.588 63.389 1.199 1
1 1146 . 1 1 1 A 98 98 SER N N 98 115.969 113.265 2.704 1
1 1147 . 1 1 1 A 99 99 ARG H H 99 8.519 8.776 -0.257 1
1 1148 . 1 1 1 A 99 99 ARG HA H 99 5.627 4.986 0.641 1
1 1156 . 1 1 1 A 99 99 ARG C C 99 176.394 175.976 0.418 1
1 1157 . 1 1 1 A 99 99 ARG CA C 99 53.705 56.151 -2.446 1
1 1158 . 1 1 1 A 99 99 ARG CB C 99 32.853 30.968 1.885 1
1 1161 . 1 1 1 A 99 99 ARG N N 99 132.343 129.257 3.086 1
1 1163 . 1 1 1 A 100 100 THR H H 100 8.808 8.218 0.590 1
1 1164 . 1 1 1 A 100 100 THR HA H 100 4.182 4.295 -0.113 1
1 1169 . 1 1 1 A 100 100 THR C C 100 175.465 174.437 1.028 1
1 1170 . 1 1 1 A 100 100 THR CA C 100 61.701 62.470 -0.769 1
1 1171 . 1 1 1 A 100 100 THR CB C 100 69.515 70.027 -0.512 1
1 1173 . 1 1 1 A 100 100 THR N N 100 116.147 118.249 -2.102 1
1 1174 . 1 1 1 A 101 101 MET H H 101 7.254 8.513 -1.259 1
1 1175 . 1 1 1 A 101 101 MET HA H 101 4.504 4.667 -0.163 1
1 1183 . 1 1 1 A 101 101 MET C C 101 174.574 175.376 -0.802 1
1 1184 . 1 1 1 A 101 101 MET CA C 101 54.324 54.035 0.289 1
1 1185 . 1 1 1 A 101 101 MET CB C 101 32.235 32.370 -0.135 1
1 1188 . 1 1 1 A 101 101 MET N N 101 117.475 121.573 -4.098 1
1 1189 . 1 1 1 A 102 102 PRO HA H 102 4.647 4.718 -0.071 1
1 1196 . 1 1 1 A 102 102 PRO CA C 102 62.553 62.600 -0.047 1
1 1197 . 1 1 1 A 102 102 PRO CB C 102 32.011 31.318 0.693 1
1 1 . 2 1 1 A 6 6 SER HA H 6 4.535 4.086 0.449 1
1 4 . 2 1 1 A 6 6 SER CA C 6 58.104 59.339 -1.235 1
1 5 . 2 1 1 A 6 6 SER CB C 6 64.201 61.102 3.099 1
1 6 . 2 1 1 A 7 7 GLY H H 7 7.998 8.145 -0.147 1
1 7 . 2 1 1 A 7 7 GLY HA2 H 7 3.978 3.943 0.035 1
1 8 . 2 1 1 A 7 7 GLY HA3 H 7 3.515 3.994 -0.479 1
1 9 . 2 1 1 A 7 7 GLY CA C 7 44.050 44.001 0.049 1
1 10 . 2 1 1 A 7 7 GLY N N 7 108.741 107.643 1.098 1
1 11 . 2 1 1 A 8 8 PRO HA H 8 4.324 4.616 -0.292 1
1 18 . 2 1 1 A 8 8 PRO CA C 8 63.624 62.773 0.851 1
1 19 . 2 1 1 A 8 8 PRO CB C 8 32.235 32.474 -0.239 1
1 22 . 2 1 1 A 9 9 SER H H 9 8.323 8.398 -0.075 1
1 23 . 2 1 1 A 9 9 SER HA H 9 4.512 4.719 -0.207 1
1 26 . 2 1 1 A 9 9 SER C C 9 174.410 174.113 0.297 1
1 27 . 2 1 1 A 9 9 SER CA C 9 57.701 57.213 0.488 1
1 28 . 2 1 1 A 9 9 SER CB C 9 63.909 62.934 0.975 1
1 29 . 2 1 1 A 9 9 SER N N 9 115.299 113.366 1.933 1
1 30 . 2 1 1 A 10 10 GLY H H 10 7.439 7.544 -0.105 1
1 31 . 2 1 1 A 10 10 GLY HA2 H 10 4.383 4.033 0.350 1
1 32 . 2 1 1 A 10 10 GLY HA3 H 10 3.951 4.142 -0.191 1
1 33 . 2 1 1 A 10 10 GLY C C 10 172.743 172.356 0.387 1
1 34 . 2 1 1 A 10 10 GLY CA C 10 43.924 45.350 -1.426 1
1 35 . 2 1 1 A 10 10 GLY N N 10 107.797 110.030 -2.233 1
1 36 . 2 1 1 A 11 11 PHE H H 11 7.534 8.561 -1.027 1
1 37 . 2 1 1 A 11 11 PHE HA H 11 5.519 5.558 -0.039 1
1 44 . 2 1 1 A 11 11 PHE C C 11 173.822 173.468 0.354 1
1 45 . 2 1 1 A 11 11 PHE CA C 11 52.513 55.362 -2.849 1
1 46 . 2 1 1 A 11 11 PHE CB C 11 38.744 42.284 -3.540 1
1 51 . 2 1 1 A 11 11 PHE N N 11 115.246 115.254 -0.008 1
1 52 . 2 1 1 A 12 12 PRO HA H 12 4.285 4.719 -0.434 1
1 59 . 2 1 1 A 12 12 PRO C C 12 175.173 175.365 -0.192 1
1 60 . 2 1 1 A 12 12 PRO CA C 12 63.707 62.517 1.190 1
1 61 . 2 1 1 A 12 12 PRO CB C 12 32.344 33.393 -1.049 1
1 64 . 2 1 1 A 13 13 GLN H H 13 7.469 8.282 -0.813 1
1 65 . 2 1 1 A 13 13 GLN HA H 13 4.511 4.890 -0.379 1
1 72 . 2 1 1 A 13 13 GLN C C 13 175.349 175.090 0.259 1
1 73 . 2 1 1 A 13 13 GLN CA C 13 54.572 54.388 0.184 1
1 74 . 2 1 1 A 13 13 GLN CB C 13 32.848 31.902 0.946 1
1 76 . 2 1 1 A 13 13 GLN N N 13 120.555 117.965 2.590 1
1 78 . 2 1 1 A 14 14 ASN H H 14 8.978 8.863 0.115 1
1 79 . 2 1 1 A 14 14 ASN HA H 14 4.424 4.435 -0.011 1
1 84 . 2 1 1 A 14 14 ASN C C 14 174.770 173.956 0.814 1
1 85 . 2 1 1 A 14 14 ASN CA C 14 54.079 54.343 -0.264 1
1 86 . 2 1 1 A 14 14 ASN CB C 14 37.343 37.020 0.323 1
1 87 . 2 1 1 A 14 14 ASN N N 14 114.024 115.959 -1.935 1
1 89 . 2 1 1 A 15 15 LEU H H 15 8.437 7.993 0.444 1
1 90 . 2 1 1 A 15 15 LEU HA H 15 5.062 4.575 0.487 1
1 100 . 2 1 1 A 15 15 LEU C C 15 177.001 175.571 1.430 1
1 101 . 2 1 1 A 15 15 LEU CA C 15 56.667 55.513 1.154 1
1 102 . 2 1 1 A 15 15 LEU CB C 15 41.720 42.772 -1.052 1
1 106 . 2 1 1 A 15 15 LEU N N 15 121.843 121.936 -0.093 1
1 107 . 2 1 1 A 16 16 HIS H H 16 9.492 8.296 1.196 1
1 108 . 2 1 1 A 16 16 HIS HA H 16 4.987 5.201 -0.214 1
1 113 . 2 1 1 A 16 16 HIS C C 16 171.333 171.742 -0.409 1
1 114 . 2 1 1 A 16 16 HIS CA C 16 55.153 54.746 0.407 1
1 115 . 2 1 1 A 16 16 HIS CB C 16 30.515 31.779 -1.264 1
1 118 . 2 1 1 A 16 16 HIS N N 16 121.636 121.174 0.462 1
1 119 . 2 1 1 A 17 17 VAL H H 17 8.606 8.705 -0.099 1
1 120 . 2 1 1 A 17 17 VAL HA H 17 4.663 5.013 -0.350 1
1 128 . 2 1 1 A 17 17 VAL C C 17 177.740 176.498 1.242 1
1 129 . 2 1 1 A 17 17 VAL CA C 17 61.771 59.717 2.054 1
1 130 . 2 1 1 A 17 17 VAL CB C 17 33.476 34.538 -1.062 1
1 133 . 2 1 1 A 17 17 VAL N N 17 120.868 119.850 1.018 1
1 134 . 2 1 1 A 18 18 THR H H 18 9.022 8.896 0.126 1
1 135 . 2 1 1 A 18 18 THR HA H 18 4.516 4.414 0.102 1
1 140 . 2 1 1 A 18 18 THR C C 18 174.913 174.684 0.229 1
1 141 . 2 1 1 A 18 18 THR CA C 18 61.472 63.697 -2.225 1
1 142 . 2 1 1 A 18 18 THR CB C 18 68.725 70.140 -1.415 1
1 144 . 2 1 1 A 18 18 THR N N 18 117.096 122.653 -5.557 1
1 145 . 2 1 1 A 19 19 GLY H H 19 7.443 7.410 0.033 1
1 146 . 2 1 1 A 19 19 GLY HA2 H 19 4.177 4.079 0.098 1
1 147 . 2 1 1 A 19 19 GLY HA3 H 19 3.909 4.088 -0.179 1
1 148 . 2 1 1 A 19 19 GLY C C 19 170.720 172.549 -1.829 1
1 149 . 2 1 1 A 19 19 GLY CA C 19 45.877 45.644 0.233 1
1 150 . 2 1 1 A 19 19 GLY N N 19 111.594 108.461 3.133 1
1 151 . 2 1 1 A 20 20 LEU H H 20 8.400 8.434 -0.034 1
1 152 . 2 1 1 A 20 20 LEU HA H 20 4.803 4.416 0.387 1
1 162 . 2 1 1 A 20 20 LEU C C 20 175.350 176.047 -0.697 1
1 163 . 2 1 1 A 20 20 LEU CA C 20 55.557 54.380 1.177 1
1 164 . 2 1 1 A 20 20 LEU CB C 20 46.554 43.404 3.150 1
1 168 . 2 1 1 A 20 20 LEU N N 20 121.661 121.040 0.621 1
1 169 . 2 1 1 A 21 21 THR H H 21 7.720 8.392 -0.672 1
1 170 . 2 1 1 A 21 21 THR HA H 21 4.900 4.652 0.248 1
1 175 . 2 1 1 A 21 21 THR C C 21 174.986 175.178 -0.192 1
1 176 . 2 1 1 A 21 21 THR CA C 21 61.049 61.024 0.025 1
1 177 . 2 1 1 A 21 21 THR CB C 21 71.081 72.928 -1.847 1
1 179 . 2 1 1 A 21 21 THR N N 21 112.043 112.646 -0.603 1
1 180 . 2 1 1 A 22 22 THR H H 22 7.782 8.685 -0.903 1
1 181 . 2 1 1 A 22 22 THR HA H 22 4.657 4.216 0.441 1
1 186 . 2 1 1 A 22 22 THR C C 22 174.110 175.415 -1.305 1
1 187 . 2 1 1 A 22 22 THR CA C 22 63.654 65.429 -1.775 1
1 188 . 2 1 1 A 22 22 THR CB C 22 69.834 68.399 1.435 1
1 190 . 2 1 1 A 22 22 THR N N 22 110.558 118.805 -8.247 1
1 191 . 2 1 1 A 23 23 SER H H 23 7.289 7.689 -0.400 1
1 192 . 2 1 1 A 23 23 SER HA H 23 4.717 4.875 -0.158 1
1 195 . 2 1 1 A 23 23 SER C C 23 173.680 174.525 -0.845 1
1 196 . 2 1 1 A 23 23 SER CA C 23 57.212 59.050 -1.838 1
1 197 . 2 1 1 A 23 23 SER CB C 23 66.012 64.460 1.552 1
1 198 . 2 1 1 A 23 23 SER N N 23 107.116 113.666 -6.550 1
1 199 . 2 1 1 A 24 24 THR H H 24 7.174 7.608 -0.434 1
1 200 . 2 1 1 A 24 24 THR HA H 24 5.377 4.750 0.627 1
1 205 . 2 1 1 A 24 24 THR C C 24 176.427 173.401 3.026 1
1 206 . 2 1 1 A 24 24 THR CA C 24 58.656 59.942 -1.286 1
1 207 . 2 1 1 A 24 24 THR CB C 24 73.018 71.609 1.409 1
1 209 . 2 1 1 A 24 24 THR N N 24 111.053 111.918 -0.865 1
1 210 . 2 1 1 A 25 25 THR H H 25 8.180 8.348 -0.168 1
1 211 . 2 1 1 A 25 25 THR HA H 25 4.608 4.913 -0.305 1
1 216 . 2 1 1 A 25 25 THR C C 25 170.451 173.389 -2.938 1
1 217 . 2 1 1 A 25 25 THR CA C 25 63.619 61.582 2.037 1
1 218 . 2 1 1 A 25 25 THR CB C 25 75.464 71.523 3.941 1
1 220 . 2 1 1 A 25 25 THR N N 25 117.664 116.011 1.653 1
1 221 . 2 1 1 A 26 26 GLU H H 26 9.197 8.739 0.458 1
1 222 . 2 1 1 A 26 26 GLU HA H 26 4.706 4.466 0.240 1
1 227 . 2 1 1 A 26 26 GLU C C 26 174.626 175.935 -1.309 1
1 228 . 2 1 1 A 26 26 GLU CA C 26 55.751 57.116 -1.365 1
1 229 . 2 1 1 A 26 26 GLU CB C 26 30.917 30.684 0.233 1
1 231 . 2 1 1 A 26 26 GLU N N 26 130.706 126.777 3.929 1
1 232 . 2 1 1 A 27 27 LEU H H 27 9.001 8.682 0.319 1
1 233 . 2 1 1 A 27 27 LEU HA H 27 5.273 5.409 -0.136 1
1 243 . 2 1 1 A 27 27 LEU C C 27 176.770 175.693 1.077 1
1 244 . 2 1 1 A 27 27 LEU CA C 27 53.165 53.564 -0.399 1
1 245 . 2 1 1 A 27 27 LEU CB C 27 47.693 47.169 0.524 1
1 249 . 2 1 1 A 27 27 LEU N N 27 124.564 121.372 3.192 1
1 250 . 2 1 1 A 28 28 ALA H H 28 8.640 8.404 0.236 1
1 251 . 2 1 1 A 28 28 ALA HA H 28 4.577 4.684 -0.107 1
1 255 . 2 1 1 A 28 28 ALA C C 28 174.523 175.155 -0.632 1
1 256 . 2 1 1 A 28 28 ALA CA C 28 51.404 51.989 -0.585 1
1 257 . 2 1 1 A 28 28 ALA CB C 28 23.304 20.806 2.498 1
1 258 . 2 1 1 A 28 28 ALA N N 28 122.531 121.232 1.299 1
1 259 . 2 1 1 A 29 29 TRP H H 29 7.581 8.057 -0.476 1
1 260 . 2 1 1 A 29 29 TRP HA H 29 4.868 5.607 -0.739 1
1 269 . 2 1 1 A 29 29 TRP C C 29 172.280 173.155 -0.875 1
1 270 . 2 1 1 A 29 29 TRP CA C 29 56.948 54.671 2.277 1
1 271 . 2 1 1 A 29 29 TRP CB C 29 29.667 32.296 -2.629 1
1 277 . 2 1 1 A 29 29 TRP N N 29 115.551 120.557 -5.006 1
1 279 . 2 1 1 A 30 30 ASP H H 30 9.276 9.461 -0.185 1
1 280 . 2 1 1 A 30 30 ASP HA H 30 5.443 5.067 0.376 1
1 283 . 2 1 1 A 30 30 ASP C C 30 173.846 173.550 0.296 1
1 284 . 2 1 1 A 30 30 ASP CA C 30 51.562 50.934 0.628 1
1 285 . 2 1 1 A 30 30 ASP CB C 30 42.533 42.903 -0.370 1
1 286 . 2 1 1 A 30 30 ASP N N 30 117.265 119.822 -2.557 1
1 287 . 2 1 1 A 31 31 PRO HA H 31 5.105 5.059 0.046 1
1 294 . 2 1 1 A 31 31 PRO CA C 31 61.905 61.527 0.378 1
1 295 . 2 1 1 A 31 31 PRO CB C 31 29.864 31.451 -1.587 1
1 298 . 2 1 1 A 32 32 PRO HA H 32 4.580 4.490 0.090 1
1 305 . 2 1 1 A 32 32 PRO CA C 32 62.036 62.733 -0.697 1
1 306 . 2 1 1 A 32 32 PRO CB C 32 30.840 32.151 -1.311 1
1 309 . 2 1 1 A 33 33 VAL H H 33 8.755 8.088 0.667 1
1 310 . 2 1 1 A 33 33 VAL HA H 33 3.994 4.267 -0.273 1
1 318 . 2 1 1 A 33 33 VAL CA C 33 62.553 62.153 0.400 1
1 319 . 2 1 1 A 33 33 VAL CB C 33 31.763 32.740 -0.977 1
1 322 . 2 1 1 A 33 33 VAL N N 33 120.113 119.704 0.409 1
1 323 . 2 1 1 A 34 34 LEU H H 34 8.469 8.789 -0.320 1
1 324 . 2 1 1 A 34 34 LEU HA H 34 3.768 3.881 -0.113 1
1 334 . 2 1 1 A 34 34 LEU CA C 34 58.809 58.059 0.750 1
1 335 . 2 1 1 A 34 34 LEU CB C 34 42.426 41.619 0.807 1
1 339 . 2 1 1 A 34 34 LEU N N 34 125.095 123.038 2.057 1
1 340 . 2 1 1 A 35 35 ALA H H 35 8.586 8.344 0.242 1
1 341 . 2 1 1 A 35 35 ALA HA H 35 4.171 4.062 0.109 1
1 345 . 2 1 1 A 35 35 ALA CA C 35 53.957 55.524 -1.567 1
1 346 . 2 1 1 A 35 35 ALA CB C 35 19.056 18.561 0.495 1
1 347 . 2 1 1 A 35 35 ALA N N 35 119.010 121.500 -2.490 1
1 348 . 2 1 1 A 36 36 GLU H H 36 8.070 8.255 -0.185 1
1 349 . 2 1 1 A 36 36 GLU HA H 36 4.305 4.057 0.248 1
1 354 . 2 1 1 A 36 36 GLU CA C 36 55.527 59.315 -3.788 1
1 355 . 2 1 1 A 36 36 GLU CB C 36 29.845 29.266 0.579 1
1 357 . 2 1 1 A 36 36 GLU N N 36 115.604 118.671 -3.067 1
1 358 . 2 1 1 A 37 37 ARG HA H 37 3.758 4.273 -0.515 1
1 365 . 2 1 1 A 37 37 ARG CA C 37 60.050 56.682 3.368 1
1 366 . 2 1 1 A 37 37 ARG CB C 37 30.804 30.810 -0.006 1
1 369 . 2 1 1 A 37 37 ARG N N 37 122.198 118.809 3.389 1
1 370 . 2 1 1 A 38 38 ASN H H 38 8.093 9.092 -0.999 1
1 371 . 2 1 1 A 38 38 ASN HA H 38 4.291 4.885 -0.594 1
1 376 . 2 1 1 A 38 38 ASN C C 38 174.619 175.090 -0.471 1
1 377 . 2 1 1 A 38 38 ASN CA C 38 53.287 52.910 0.377 1
1 378 . 2 1 1 A 38 38 ASN CB C 38 37.482 39.004 -1.522 1
1 379 . 2 1 1 A 38 38 ASN N N 38 109.319 125.906 -16.587 1
1 381 . 2 1 1 A 39 39 GLY H H 39 7.575 7.444 0.131 1
1 382 . 2 1 1 A 39 39 GLY HA2 H 39 4.320 4.091 0.229 1
1 383 . 2 1 1 A 39 39 GLY HA3 H 39 3.697 4.095 -0.398 1
1 384 . 2 1 1 A 39 39 GLY C C 39 172.138 171.576 0.562 1
1 385 . 2 1 1 A 39 39 GLY CA C 39 43.766 45.721 -1.955 1
1 386 . 2 1 1 A 39 39 GLY N N 39 105.607 107.903 -2.296 1
1 387 . 2 1 1 A 40 40 ARG H H 40 8.180 8.396 -0.216 1
1 388 . 2 1 1 A 40 40 ARG HA H 40 4.333 4.454 -0.121 1
1 395 . 2 1 1 A 40 40 ARG C C 40 176.395 175.880 0.515 1
1 396 . 2 1 1 A 40 40 ARG CA C 40 55.453 55.859 -0.406 1
1 397 . 2 1 1 A 40 40 ARG CB C 40 30.999 31.897 -0.898 1
1 400 . 2 1 1 A 40 40 ARG N N 40 119.566 120.333 -0.767 1
1 401 . 2 1 1 A 41 41 ILE H H 41 8.991 8.947 0.044 1
1 402 . 2 1 1 A 41 41 ILE HA H 41 4.256 4.512 -0.256 1
1 412 . 2 1 1 A 41 41 ILE CA C 41 59.279 60.582 -1.303 1
1 413 . 2 1 1 A 41 41 ILE CB C 41 35.329 40.014 -4.685 1
1 417 . 2 1 1 A 41 41 ILE N N 41 127.226 123.111 4.115 1
1 418 . 2 1 1 A 42 42 ILE H H 42 8.721 8.644 0.077 1
1 419 . 2 1 1 A 42 42 ILE HA H 42 4.475 4.525 -0.050 1
1 429 . 2 1 1 A 42 42 ILE C C 42 175.959 176.180 -0.221 1
1 430 . 2 1 1 A 42 42 ILE CA C 42 61.208 61.279 -0.071 1
1 431 . 2 1 1 A 42 42 ILE CB C 42 39.771 39.809 -0.038 1
1 435 . 2 1 1 A 42 42 ILE N N 42 122.018 120.355 1.663 1
1 436 . 2 1 1 A 43 43 SER H H 43 7.425 7.675 -0.250 1
1 437 . 2 1 1 A 43 43 SER HA H 43 4.555 5.038 -0.483 1
1 440 . 2 1 1 A 43 43 SER C C 43 170.232 171.691 -1.459 1
1 441 . 2 1 1 A 43 43 SER CA C 43 58.234 58.051 0.183 1
1 442 . 2 1 1 A 43 43 SER CB C 43 64.287 66.553 -2.266 1
1 443 . 2 1 1 A 43 43 SER N N 43 113.043 115.780 -2.737 1
1 444 . 2 1 1 A 44 44 TYR H H 44 9.297 8.462 0.835 1
1 445 . 2 1 1 A 44 44 TYR HA H 44 5.741 5.752 -0.011 1
1 452 . 2 1 1 A 44 44 TYR C C 44 175.735 175.089 0.646 1
1 453 . 2 1 1 A 44 44 TYR CA C 44 57.137 56.675 0.462 1
1 454 . 2 1 1 A 44 44 TYR CB C 44 42.410 43.183 -0.773 1
1 459 . 2 1 1 A 44 44 TYR N N 44 116.157 120.419 -4.262 1
1 460 . 2 1 1 A 45 45 THR H H 45 8.778 8.874 -0.096 1
1 461 . 2 1 1 A 45 45 THR HA H 45 5.094 5.108 -0.014 1
1 466 . 2 1 1 A 45 45 THR C C 45 173.026 173.567 -0.541 1
1 467 . 2 1 1 A 45 45 THR CA C 45 61.853 61.595 0.258 1
1 468 . 2 1 1 A 45 45 THR CB C 45 71.072 69.940 1.132 1
1 470 . 2 1 1 A 45 45 THR N N 45 114.801 116.281 -1.480 1
1 471 . 2 1 1 A 46 46 VAL H H 46 9.145 8.521 0.624 1
1 472 . 2 1 1 A 46 46 VAL HA H 46 4.244 4.606 -0.362 1
1 480 . 2 1 1 A 46 46 VAL C C 46 174.278 175.356 -1.078 1
1 481 . 2 1 1 A 46 46 VAL CA C 46 61.137 62.443 -1.306 1
1 482 . 2 1 1 A 46 46 VAL CB C 46 32.999 31.009 1.990 1
1 485 . 2 1 1 A 46 46 VAL N N 46 127.180 127.887 -0.707 1
1 486 . 2 1 1 A 47 47 VAL H H 47 9.041 8.618 0.423 1
1 487 . 2 1 1 A 47 47 VAL HA H 47 5.004 4.646 0.358 1
1 495 . 2 1 1 A 47 47 VAL C C 47 175.023 175.526 -0.503 1
1 496 . 2 1 1 A 47 47 VAL CA C 47 60.996 61.611 -0.615 1
1 497 . 2 1 1 A 47 47 VAL CB C 47 33.488 32.027 1.461 1
1 500 . 2 1 1 A 47 47 VAL N N 47 128.169 128.703 -0.534 1
1 501 . 2 1 1 A 48 48 PHE H H 48 9.169 9.035 0.134 1
1 502 . 2 1 1 A 48 48 PHE HA H 48 6.209 6.160 0.049 1
1 510 . 2 1 1 A 48 48 PHE C C 48 173.210 173.455 -0.245 1
1 511 . 2 1 1 A 48 48 PHE CA C 48 54.702 55.372 -0.670 1
1 512 . 2 1 1 A 48 48 PHE CB C 48 43.316 42.268 1.048 1
1 518 . 2 1 1 A 48 48 PHE N N 48 123.753 124.514 -0.761 1
1 519 . 2 1 1 A 49 49 ARG H H 49 8.693 8.862 -0.169 1
1 520 . 2 1 1 A 49 49 ARG HA H 49 4.817 4.758 0.059 1
1 528 . 2 1 1 A 49 49 ARG C C 49 175.280 174.078 1.202 1
1 529 . 2 1 1 A 49 49 ARG CA C 49 54.801 54.731 0.070 1
1 530 . 2 1 1 A 49 49 ARG CB C 49 35.242 34.264 0.978 1
1 533 . 2 1 1 A 49 49 ARG N N 49 118.793 121.305 -2.512 1
1 535 . 2 1 1 A 50 50 ASP H H 50 8.820 8.700 0.120 1
1 536 . 2 1 1 A 50 50 ASP HA H 50 4.029 4.373 -0.344 1
1 539 . 2 1 1 A 50 50 ASP C C 50 178.592 176.882 1.710 1
1 540 . 2 1 1 A 50 50 ASP CA C 50 53.498 53.242 0.256 1
1 541 . 2 1 1 A 50 50 ASP CB C 50 40.543 40.461 0.082 1
1 542 . 2 1 1 A 50 50 ASP N N 50 128.720 125.322 3.398 1
1 543 . 2 1 1 A 51 51 ILE H H 51 8.315 8.350 -0.035 1
1 544 . 2 1 1 A 51 51 ILE HA H 51 3.892 3.740 0.152 1
1 554 . 2 1 1 A 51 51 ILE C C 51 176.905 177.154 -0.249 1
1 555 . 2 1 1 A 51 51 ILE CA C 51 64.569 63.588 0.981 1
1 556 . 2 1 1 A 51 51 ILE CB C 51 38.126 37.609 0.517 1
1 560 . 2 1 1 A 51 51 ILE N N 51 124.642 123.129 1.513 1
1 561 . 2 1 1 A 52 52 ASN H H 52 8.677 7.638 1.039 1
1 562 . 2 1 1 A 52 52 ASN HA H 52 4.760 4.617 0.143 1
1 567 . 2 1 1 A 52 52 ASN C C 52 174.645 175.374 -0.729 1
1 568 . 2 1 1 A 52 52 ASN CA C 52 53.851 54.781 -0.930 1
1 569 . 2 1 1 A 52 52 ASN CB C 52 39.032 39.586 -0.554 1
1 570 . 2 1 1 A 52 52 ASN N N 52 119.201 118.710 0.491 1
1 572 . 2 1 1 A 53 53 SER H H 53 8.409 8.197 0.212 1
1 573 . 2 1 1 A 53 53 SER HA H 53 4.663 4.862 -0.199 1
1 576 . 2 1 1 A 53 53 SER C C 53 173.861 174.007 -0.146 1
1 577 . 2 1 1 A 53 53 SER CA C 53 56.702 57.111 -0.409 1
1 578 . 2 1 1 A 53 53 SER CB C 53 65.730 66.286 -0.556 1
1 579 . 2 1 1 A 53 53 SER N N 53 116.494 114.020 2.474 1
1 580 . 2 1 1 A 54 54 GLN H H 54 8.489 8.533 -0.044 1
1 581 . 2 1 1 A 54 54 GLN HA H 54 4.329 4.570 -0.241 1
1 588 . 2 1 1 A 54 54 GLN C C 54 175.789 175.285 0.504 1
1 589 . 2 1 1 A 54 54 GLN CA C 54 55.857 55.377 0.480 1
1 590 . 2 1 1 A 54 54 GLN CB C 54 28.847 29.023 -0.176 1
1 592 . 2 1 1 A 54 54 GLN N N 54 119.700 119.710 -0.010 1
1 594 . 2 1 1 A 55 55 GLN H H 55 8.108 7.623 0.485 1
1 595 . 2 1 1 A 55 55 GLN HA H 55 4.269 4.567 -0.298 1
1 602 . 2 1 1 A 55 55 GLN C C 55 174.076 174.704 -0.628 1
1 603 . 2 1 1 A 55 55 GLN CA C 55 55.689 54.874 0.815 1
1 604 . 2 1 1 A 55 55 GLN CB C 55 29.352 29.887 -0.535 1
1 606 . 2 1 1 A 55 55 GLN N N 55 120.355 121.730 -1.375 1
1 608 . 2 1 1 A 56 56 GLU H H 56 8.603 8.841 -0.238 1
1 609 . 2 1 1 A 56 56 GLU HA H 56 4.372 4.660 -0.288 1
1 614 . 2 1 1 A 56 56 GLU C C 56 175.058 175.334 -0.276 1
1 615 . 2 1 1 A 56 56 GLU CA C 56 55.594 56.299 -0.705 1
1 616 . 2 1 1 A 56 56 GLU CB C 56 31.640 30.786 0.854 1
1 618 . 2 1 1 A 56 56 GLU N N 56 126.250 128.670 -2.420 1
1 619 . 2 1 1 A 57 57 LEU H H 57 8.520 7.925 0.595 1
1 620 . 2 1 1 A 57 57 LEU HA H 57 4.458 4.684 -0.226 1
1 630 . 2 1 1 A 57 57 LEU C C 57 174.850 174.847 0.003 1
1 631 . 2 1 1 A 57 57 LEU CA C 57 53.780 53.218 0.562 1
1 632 . 2 1 1 A 57 57 LEU CB C 57 43.903 46.036 -2.133 1
1 636 . 2 1 1 A 57 57 LEU N N 57 127.205 125.895 1.310 1
1 637 . 2 1 1 A 58 58 GLN H H 58 7.992 8.576 -0.584 1
1 638 . 2 1 1 A 58 58 GLN HA H 58 5.865 5.299 0.566 1
1 645 . 2 1 1 A 58 58 GLN C C 58 175.948 174.604 1.344 1
1 646 . 2 1 1 A 58 58 GLN CA C 58 53.944 54.420 -0.476 1
1 647 . 2 1 1 A 58 58 GLN CB C 58 32.786 33.399 -0.613 1
1 649 . 2 1 1 A 58 58 GLN N N 58 113.562 120.432 -6.870 1
1 651 . 2 1 1 A 59 59 ASN H H 59 9.073 8.867 0.206 1
1 652 . 2 1 1 A 59 59 ASN HA H 59 5.068 5.514 -0.446 1
1 657 . 2 1 1 A 59 59 ASN C C 59 172.790 174.212 -1.422 1
1 658 . 2 1 1 A 59 59 ASN CA C 59 53.023 51.626 1.397 1
1 659 . 2 1 1 A 59 59 ASN CB C 59 45.541 42.742 2.799 1
1 660 . 2 1 1 A 59 59 ASN N N 59 119.984 117.877 2.107 1
1 662 . 2 1 1 A 60 60 ILE H H 60 8.491 8.497 -0.006 1
1 663 . 2 1 1 A 60 60 ILE HA H 60 5.147 5.049 0.098 1
1 673 . 2 1 1 A 60 60 ILE C C 60 175.088 174.524 0.564 1
1 674 . 2 1 1 A 60 60 ILE CA C 60 59.853 60.170 -0.317 1
1 675 . 2 1 1 A 60 60 ILE CB C 60 40.891 41.648 -0.757 1
1 679 . 2 1 1 A 60 60 ILE N N 60 119.480 120.243 -0.763 1
1 680 . 2 1 1 A 61 61 THR H H 61 8.755 8.445 0.310 1
1 681 . 2 1 1 A 61 61 THR HA H 61 4.976 5.219 -0.243 1
1 686 . 2 1 1 A 61 61 THR C C 61 172.097 173.788 -1.691 1
1 687 . 2 1 1 A 61 61 THR CA C 61 59.905 60.141 -0.236 1
1 688 . 2 1 1 A 61 61 THR CB C 61 69.505 71.462 -1.957 1
1 690 . 2 1 1 A 61 61 THR N N 61 118.083 120.415 -2.332 1
1 691 . 2 1 1 A 62 62 THR H H 62 8.325 8.566 -0.241 1
1 692 . 2 1 1 A 62 62 THR HA H 62 4.641 4.605 0.036 1
1 697 . 2 1 1 A 62 62 THR C C 62 174.386 173.137 1.249 1
1 698 . 2 1 1 A 62 62 THR CA C 62 62.440 62.150 0.290 1
1 699 . 2 1 1 A 62 62 THR CB C 62 69.355 68.655 0.700 1
1 701 . 2 1 1 A 62 62 THR N N 62 115.077 117.427 -2.350 1
1 702 . 2 1 1 A 63 63 ASP H H 63 8.611 7.321 1.290 1
1 703 . 2 1 1 A 63 63 ASP HA H 63 4.962 5.058 -0.096 1
1 706 . 2 1 1 A 63 63 ASP C C 63 172.906 176.483 -3.577 1
1 707 . 2 1 1 A 63 63 ASP CA C 63 52.981 53.116 -0.135 1
1 708 . 2 1 1 A 63 63 ASP CB C 63 43.465 44.602 -1.137 1
1 709 . 2 1 1 A 63 63 ASP N N 63 125.713 121.059 4.654 1
1 710 . 2 1 1 A 64 64 THR H H 64 7.925 8.289 -0.364 1
1 711 . 2 1 1 A 64 64 THR HA H 64 3.088 3.763 -0.675 1
1 716 . 2 1 1 A 64 64 THR C C 64 172.176 171.978 0.198 1
1 717 . 2 1 1 A 64 64 THR CA C 64 59.078 61.449 -2.371 1
1 718 . 2 1 1 A 64 64 THR CB C 64 66.137 68.120 -1.983 1
1 720 . 2 1 1 A 64 64 THR N N 64 104.287 112.670 -8.383 1
1 721 . 2 1 1 A 65 65 ARG H H 65 6.387 7.330 -0.943 1
1 722 . 2 1 1 A 65 65 ARG HA H 65 4.221 3.807 0.414 1
1 729 . 2 1 1 A 65 65 ARG C C 65 174.862 174.247 0.615 1
1 730 . 2 1 1 A 65 65 ARG CA C 65 54.132 53.503 0.629 1
1 731 . 2 1 1 A 65 65 ARG CB C 65 32.928 33.791 -0.863 1
1 734 . 2 1 1 A 65 65 ARG N N 65 115.062 118.591 -3.529 1
1 735 . 2 1 1 A 66 66 PHE H H 66 8.177 8.915 -0.738 1
1 736 . 2 1 1 A 66 66 PHE HA H 66 4.373 4.893 -0.520 1
1 744 . 2 1 1 A 66 66 PHE C C 66 172.804 173.243 -0.439 1
1 745 . 2 1 1 A 66 66 PHE CA C 66 59.536 58.205 1.331 1
1 746 . 2 1 1 A 66 66 PHE CB C 66 44.469 41.473 2.996 1
1 752 . 2 1 1 A 66 66 PHE N N 66 119.991 119.397 0.594 1
1 753 . 2 1 1 A 67 67 THR H H 67 7.332 7.248 0.084 1
1 754 . 2 1 1 A 67 67 THR HA H 67 4.628 5.090 -0.462 1
1 759 . 2 1 1 A 67 67 THR C C 67 172.910 173.645 -0.735 1
1 760 . 2 1 1 A 67 67 THR CA C 67 61.261 61.186 0.075 1
1 761 . 2 1 1 A 67 67 THR CB C 67 69.260 71.495 -2.235 1
1 763 . 2 1 1 A 67 67 THR N N 67 123.294 116.518 6.776 1
1 764 . 2 1 1 A 68 68 LEU H H 68 8.776 9.168 -0.392 1
1 765 . 2 1 1 A 68 68 LEU HA H 68 4.192 4.253 -0.061 1
1 775 . 2 1 1 A 68 68 LEU C C 68 176.337 175.797 0.540 1
1 776 . 2 1 1 A 68 68 LEU CA C 68 54.394 54.633 -0.239 1
1 777 . 2 1 1 A 68 68 LEU CB C 68 42.394 42.018 0.376 1
1 781 . 2 1 1 A 68 68 LEU N N 68 126.969 127.945 -0.976 1
1 782 . 2 1 1 A 69 69 THR H H 69 7.921 8.298 -0.377 1
1 783 . 2 1 1 A 69 69 THR HA H 69 4.814 4.655 0.159 1
1 788 . 2 1 1 A 69 69 THR C C 69 173.856 173.595 0.261 1
1 789 . 2 1 1 A 69 69 THR CA C 69 59.694 60.411 -0.717 1
1 790 . 2 1 1 A 69 69 THR CB C 69 71.829 71.576 0.253 1
1 792 . 2 1 1 A 69 69 THR N N 69 111.246 111.597 -0.351 1
1 793 . 2 1 1 A 70 70 GLY H H 70 8.894 8.702 0.192 1
1 794 . 2 1 1 A 70 70 GLY HA2 H 70 3.930 3.870 0.060 1
1 795 . 2 1 1 A 70 70 GLY HA3 H 70 3.809 3.896 -0.087 1
1 796 . 2 1 1 A 70 70 GLY C C 70 175.589 174.579 1.010 1
1 797 . 2 1 1 A 70 70 GLY CA C 70 46.178 46.882 -0.704 1
1 798 . 2 1 1 A 70 70 GLY N N 70 107.415 112.218 -4.803 1
1 799 . 2 1 1 A 71 71 LEU H H 71 8.341 7.701 0.640 1
1 800 . 2 1 1 A 71 71 LEU HA H 71 4.195 4.887 -0.692 1
1 810 . 2 1 1 A 71 71 LEU C C 71 175.422 175.273 0.149 1
1 811 . 2 1 1 A 71 71 LEU CA C 71 53.429 53.135 0.294 1
1 812 . 2 1 1 A 71 71 LEU CB C 71 40.650 43.761 -3.111 1
1 816 . 2 1 1 A 71 71 LEU N N 71 118.621 120.319 -1.698 1
1 817 . 2 1 1 A 72 72 LYS H H 72 8.298 9.322 -1.024 1
1 818 . 2 1 1 A 72 72 LYS HA H 72 4.631 4.579 0.052 1
1 827 . 2 1 1 A 72 72 LYS C C 72 174.599 175.547 -0.948 1
1 828 . 2 1 1 A 72 72 LYS CA C 72 53.851 54.092 -0.241 1
1 829 . 2 1 1 A 72 72 LYS CB C 72 33.619 33.580 0.039 1
1 833 . 2 1 1 A 72 72 LYS N N 72 121.340 122.374 -1.034 1
1 834 . 2 1 1 A 73 73 PRO HA H 73 5.086 4.701 0.385 1
1 841 . 2 1 1 A 73 73 PRO C C 73 178.198 177.241 0.957 1
1 842 . 2 1 1 A 73 73 PRO CA C 73 62.897 63.430 -0.533 1
1 843 . 2 1 1 A 73 73 PRO CB C 73 33.198 32.193 1.005 1
1 846 . 2 1 1 A 74 74 ASP H H 74 7.537 9.030 -1.493 1
1 847 . 2 1 1 A 74 74 ASP HA H 74 4.290 4.279 0.011 1
1 850 . 2 1 1 A 74 74 ASP C C 74 174.390 174.707 -0.317 1
1 851 . 2 1 1 A 74 74 ASP CA C 74 54.343 55.172 -0.829 1
1 852 . 2 1 1 A 74 74 ASP CB C 74 41.393 39.750 1.643 1
1 853 . 2 1 1 A 74 74 ASP N N 74 126.834 121.525 5.309 1
1 854 . 2 1 1 A 75 75 THR H H 75 8.197 7.261 0.936 1
1 855 . 2 1 1 A 75 75 THR HA H 75 4.316 4.862 -0.546 1
1 860 . 2 1 1 A 75 75 THR C C 75 172.076 173.496 -1.420 1
1 861 . 2 1 1 A 75 75 THR CA C 75 63.087 61.362 1.725 1
1 862 . 2 1 1 A 75 75 THR CB C 75 71.822 72.390 -0.568 1
1 864 . 2 1 1 A 75 75 THR N N 75 113.905 112.450 1.455 1
1 865 . 2 1 1 A 76 76 THR H H 76 8.606 8.737 -0.131 1
1 866 . 2 1 1 A 76 76 THR HA H 76 4.641 4.424 0.217 1
1 871 . 2 1 1 A 76 76 THR C C 76 172.308 173.968 -1.660 1
1 872 . 2 1 1 A 76 76 THR CA C 76 63.197 63.487 -0.290 1
1 873 . 2 1 1 A 76 76 THR CB C 76 68.333 69.106 -0.773 1
1 875 . 2 1 1 A 76 76 THR N N 76 124.170 121.200 2.970 1
1 876 . 2 1 1 A 77 77 TYR H H 77 9.230 8.913 0.317 1
1 877 . 2 1 1 A 77 77 TYR HA H 77 5.084 5.044 0.040 1
1 884 . 2 1 1 A 77 77 TYR C C 77 174.065 174.428 -0.363 1
1 885 . 2 1 1 A 77 77 TYR CA C 77 57.443 56.304 1.139 1
1 886 . 2 1 1 A 77 77 TYR CB C 77 41.115 40.109 1.006 1
1 891 . 2 1 1 A 77 77 TYR N N 77 125.729 126.410 -0.681 1
1 892 . 2 1 1 A 78 78 ASP H H 78 9.222 9.396 -0.174 1
1 893 . 2 1 1 A 78 78 ASP HA H 78 5.288 4.815 0.473 1
1 896 . 2 1 1 A 78 78 ASP C C 78 176.268 174.885 1.383 1
1 897 . 2 1 1 A 78 78 ASP CA C 78 53.565 54.227 -0.662 1
1 898 . 2 1 1 A 78 78 ASP CB C 78 44.874 40.832 4.042 1
1 899 . 2 1 1 A 78 78 ASP N N 78 124.016 125.416 -1.400 1
1 900 . 2 1 1 A 79 79 ILE H H 79 9.210 8.574 0.636 1
1 901 . 2 1 1 A 79 79 ILE HA H 79 5.027 5.474 -0.447 1
1 911 . 2 1 1 A 79 79 ILE C C 79 172.968 174.925 -1.957 1
1 912 . 2 1 1 A 79 79 ILE CA C 79 61.102 60.202 0.900 1
1 913 . 2 1 1 A 79 79 ILE CB C 79 41.830 40.203 1.627 1
1 917 . 2 1 1 A 79 79 ILE N N 79 127.527 127.487 0.040 1
1 918 . 2 1 1 A 80 80 LYS H H 80 8.930 9.408 -0.478 1
1 919 . 2 1 1 A 80 80 LYS HA H 80 4.282 5.192 -0.910 1
1 928 . 2 1 1 A 80 80 LYS C C 80 173.716 174.321 -0.605 1
1 929 . 2 1 1 A 80 80 LYS CA C 80 54.749 54.035 0.714 1
1 930 . 2 1 1 A 80 80 LYS CB C 80 37.864 36.812 1.052 1
1 934 . 2 1 1 A 80 80 LYS N N 80 122.620 124.673 -2.053 1
1 935 . 2 1 1 A 81 81 VAL H H 81 8.070 8.874 -0.804 1
1 936 . 2 1 1 A 81 81 VAL HA H 81 5.365 4.894 0.471 1
1 944 . 2 1 1 A 81 81 VAL C C 81 174.099 173.618 0.481 1
1 945 . 2 1 1 A 81 81 VAL CA C 81 59.228 59.442 -0.214 1
1 946 . 2 1 1 A 81 81 VAL CB C 81 36.108 35.009 1.099 1
1 949 . 2 1 1 A 81 81 VAL N N 81 115.045 119.259 -4.214 1
1 950 . 2 1 1 A 82 82 ARG H H 82 8.733 8.861 -0.128 1
1 951 . 2 1 1 A 82 82 ARG HA H 82 4.984 5.106 -0.122 1
1 959 . 2 1 1 A 82 82 ARG C C 82 172.874 174.224 -1.350 1
1 960 . 2 1 1 A 82 82 ARG CA C 82 53.552 54.747 -1.195 1
1 961 . 2 1 1 A 82 82 ARG CB C 82 34.521 33.928 0.593 1
1 964 . 2 1 1 A 82 82 ARG N N 82 122.032 122.625 -0.593 1
1 966 . 2 1 1 A 83 83 ALA H H 83 9.221 8.469 0.752 1
1 967 . 2 1 1 A 83 83 ALA HA H 83 5.132 4.384 0.748 1
1 971 . 2 1 1 A 83 83 ALA C C 83 174.998 176.709 -1.711 1
1 972 . 2 1 1 A 83 83 ALA CA C 83 50.383 51.116 -0.733 1
1 973 . 2 1 1 A 83 83 ALA CB C 83 23.472 20.402 3.070 1
1 974 . 2 1 1 A 83 83 ALA N N 83 124.044 124.186 -0.142 1
1 975 . 2 1 1 A 84 84 TRP H H 84 8.387 8.617 -0.230 1
1 976 . 2 1 1 A 84 84 TRP HA H 84 5.020 5.419 -0.399 1
1 985 . 2 1 1 A 84 84 TRP C C 84 177.430 175.446 1.984 1
1 986 . 2 1 1 A 84 84 TRP CA C 84 56.807 56.203 0.604 1
1 987 . 2 1 1 A 84 84 TRP CB C 84 31.235 32.323 -1.088 1
1 993 . 2 1 1 A 84 84 TRP N N 84 117.779 120.437 -2.658 1
1 995 . 2 1 1 A 85 85 THR H H 85 8.698 9.077 -0.379 1
1 996 . 2 1 1 A 85 85 THR HA H 85 5.190 5.239 -0.049 1
1 1001 . 2 1 1 A 85 85 THR C C 85 176.429 176.181 0.248 1
1 1002 . 2 1 1 A 85 85 THR CA C 85 59.958 59.963 -0.005 1
1 1003 . 2 1 1 A 85 85 THR CB C 85 72.646 71.757 0.889 1
1 1005 . 2 1 1 A 85 85 THR N N 85 111.404 113.341 -1.937 1
1 1006 . 2 1 1 A 86 86 SER H H 86 9.765 9.101 0.664 1
1 1007 . 2 1 1 A 86 86 SER HA H 86 4.242 4.170 0.072 1
1 1010 . 2 1 1 A 86 86 SER C C 86 174.834 176.334 -1.500 1
1 1011 . 2 1 1 A 86 86 SER CA C 86 61.014 61.489 -0.475 1
1 1012 . 2 1 1 A 86 86 SER CB C 86 62.807 62.718 0.089 1
1 1013 . 2 1 1 A 86 86 SER N N 86 115.745 116.750 -1.005 1
1 1014 . 2 1 1 A 87 87 LYS H H 87 7.947 7.778 0.169 1
1 1015 . 2 1 1 A 87 87 LYS HA H 87 4.426 4.284 0.142 1
1 1024 . 2 1 1 A 87 87 LYS C C 87 176.373 177.045 -0.672 1
1 1025 . 2 1 1 A 87 87 LYS CA C 87 55.857 58.409 -2.552 1
1 1026 . 2 1 1 A 87 87 LYS CB C 87 33.386 33.262 0.124 1
1 1030 . 2 1 1 A 87 87 LYS N N 87 118.254 119.603 -1.349 1
1 1031 . 2 1 1 A 88 88 GLY H H 88 7.400 7.028 0.372 1
1 1032 . 2 1 1 A 88 88 GLY HA2 H 88 4.446 4.160 0.286 1
1 1033 . 2 1 1 A 88 88 GLY HA3 H 88 3.990 4.280 -0.290 1
1 1034 . 2 1 1 A 88 88 GLY C C 88 171.366 172.077 -0.711 1
1 1035 . 2 1 1 A 88 88 GLY CA C 88 45.006 46.073 -1.067 1
1 1036 . 2 1 1 A 88 88 GLY N N 88 106.086 104.119 1.967 1
1 1037 . 2 1 1 A 89 89 SER H H 89 8.048 8.542 -0.494 1
1 1038 . 2 1 1 A 89 89 SER HA H 89 3.899 4.651 -0.752 1
1 1041 . 2 1 1 A 89 89 SER CA C 89 56.522 55.681 0.841 1
1 1042 . 2 1 1 A 89 89 SER CB C 89 63.965 64.866 -0.901 1
1 1043 . 2 1 1 A 89 89 SER N N 89 113.549 116.205 -2.656 1
1 1044 . 2 1 1 A 90 90 GLY H H 90 8.282 7.889 0.393 1
1 1045 . 2 1 1 A 90 90 GLY HA2 H 90 4.637 4.064 0.573 1
1 1046 . 2 1 1 A 90 90 GLY HA3 H 90 3.696 4.071 -0.375 1
1 1047 . 2 1 1 A 90 90 GLY CA C 90 44.399 44.143 0.256 1
1 1048 . 2 1 1 A 90 90 GLY N N 90 109.030 106.830 2.200 1
1 1049 . 2 1 1 A 91 91 PRO HA H 91 4.448 4.533 -0.085 1
1 1056 . 2 1 1 A 91 91 PRO C C 91 177.760 175.073 2.687 1
1 1057 . 2 1 1 A 91 91 PRO CA C 91 62.229 62.605 -0.376 1
1 1058 . 2 1 1 A 91 91 PRO CB C 91 32.367 32.953 -0.586 1
1 1061 . 2 1 1 A 92 92 LEU H H 92 8.373 8.310 0.063 1
1 1062 . 2 1 1 A 92 92 LEU HA H 92 4.110 4.772 -0.662 1
1 1072 . 2 1 1 A 92 92 LEU C C 92 176.841 176.516 0.325 1
1 1073 . 2 1 1 A 92 92 LEU CA C 92 55.163 53.522 1.641 1
1 1074 . 2 1 1 A 92 92 LEU CB C 92 43.188 43.363 -0.175 1
1 1078 . 2 1 1 A 92 92 LEU N N 92 121.096 122.033 -0.937 1
1 1079 . 2 1 1 A 93 93 SER H H 93 8.629 9.207 -0.578 1
1 1080 . 2 1 1 A 93 93 SER HA H 93 3.683 4.419 -0.736 1
1 1083 . 2 1 1 A 93 93 SER C C 93 171.637 173.648 -2.011 1
1 1084 . 2 1 1 A 93 93 SER CA C 93 56.900 56.953 -0.053 1
1 1085 . 2 1 1 A 93 93 SER CB C 93 62.923 62.704 0.219 1
1 1086 . 2 1 1 A 93 93 SER N N 93 116.072 121.081 -5.009 1
1 1087 . 2 1 1 A 94 94 PRO HA H 94 4.330 4.530 -0.200 1
1 1094 . 2 1 1 A 94 94 PRO C C 94 178.093 177.207 0.886 1
1 1095 . 2 1 1 A 94 94 PRO CA C 94 63.309 62.673 0.636 1
1 1096 . 2 1 1 A 94 94 PRO CB C 94 31.463 31.788 -0.325 1
1 1099 . 2 1 1 A 95 95 SER H H 95 8.722 8.334 0.388 1
1 1100 . 2 1 1 A 95 95 SER HA H 95 4.923 4.819 0.104 1
1 1103 . 2 1 1 A 95 95 SER C C 95 176.215 175.423 0.792 1
1 1104 . 2 1 1 A 95 95 SER CA C 95 58.955 58.043 0.912 1
1 1105 . 2 1 1 A 95 95 SER CB C 95 64.884 64.308 0.576 1
1 1106 . 2 1 1 A 95 95 SER N N 95 122.184 115.111 7.073 1
1 1107 . 2 1 1 A 96 96 ILE H H 96 8.915 8.492 0.423 1
1 1108 . 2 1 1 A 96 96 ILE HA H 96 4.609 4.500 0.109 1
1 1118 . 2 1 1 A 96 96 ILE C C 96 174.546 176.331 -1.785 1
1 1119 . 2 1 1 A 96 96 ILE CA C 96 59.782 61.224 -1.442 1
1 1120 . 2 1 1 A 96 96 ILE CB C 96 40.995 39.612 1.383 1
1 1124 . 2 1 1 A 96 96 ILE N N 96 115.463 119.920 -4.457 1
1 1125 . 2 1 1 A 97 97 GLN H H 97 8.292 7.842 0.450 1
1 1126 . 2 1 1 A 97 97 GLN HA H 97 5.849 3.933 1.916 1
1 1133 . 2 1 1 A 97 97 GLN C C 97 176.173 174.604 1.569 1
1 1134 . 2 1 1 A 97 97 GLN CA C 97 54.361 56.904 -2.543 1
1 1135 . 2 1 1 A 97 97 GLN CB C 97 31.102 26.482 4.620 1
1 1137 . 2 1 1 A 97 97 GLN N N 97 117.686 118.036 -0.350 1
1 1139 . 2 1 1 A 98 98 SER H H 98 8.751 7.850 0.901 1
1 1140 . 2 1 1 A 98 98 SER HA H 98 4.618 4.556 0.062 1
1 1143 . 2 1 1 A 98 98 SER C C 98 172.310 173.517 -1.207 1
1 1144 . 2 1 1 A 98 98 SER CA C 98 57.019 58.182 -1.163 1
1 1145 . 2 1 1 A 98 98 SER CB C 98 64.588 63.469 1.119 1
1 1146 . 2 1 1 A 98 98 SER N N 98 115.969 113.242 2.727 1
1 1147 . 2 1 1 A 99 99 ARG H H 99 8.519 8.821 -0.302 1
1 1148 . 2 1 1 A 99 99 ARG HA H 99 5.627 5.053 0.574 1
1 1156 . 2 1 1 A 99 99 ARG C C 99 176.394 175.858 0.536 1
1 1157 . 2 1 1 A 99 99 ARG CA C 99 53.705 55.909 -2.204 1
1 1158 . 2 1 1 A 99 99 ARG CB C 99 32.853 31.024 1.829 1
1 1161 . 2 1 1 A 99 99 ARG N N 99 132.343 129.526 2.817 1
1 1163 . 2 1 1 A 100 100 THR H H 100 8.808 8.288 0.520 1
1 1164 . 2 1 1 A 100 100 THR HA H 100 4.182 4.292 -0.110 1
1 1169 . 2 1 1 A 100 100 THR C C 100 175.465 174.365 1.100 1
1 1170 . 2 1 1 A 100 100 THR CA C 100 61.701 62.561 -0.860 1
1 1171 . 2 1 1 A 100 100 THR CB C 100 69.515 69.825 -0.310 1
1 1173 . 2 1 1 A 100 100 THR N N 100 116.147 118.431 -2.284 1
1 1174 . 2 1 1 A 101 101 MET H H 101 7.254 8.551 -1.297 1
1 1175 . 2 1 1 A 101 101 MET HA H 101 4.504 4.652 -0.148 1
1 1183 . 2 1 1 A 101 101 MET C C 101 174.574 175.513 -0.939 1
1 1184 . 2 1 1 A 101 101 MET CA C 101 54.324 54.030 0.294 1
1 1185 . 2 1 1 A 101 101 MET CB C 101 32.235 32.269 -0.034 1
1 1188 . 2 1 1 A 101 101 MET N N 101 117.475 121.237 -3.762 1
1 1189 . 2 1 1 A 102 102 PRO HA H 102 4.647 4.715 -0.068 1
1 1196 . 2 1 1 A 102 102 PRO CA C 102 62.553 62.326 0.227 1
1 1197 . 2 1 1 A 102 102 PRO CB C 102 32.011 29.973 2.038 1
1 1 . 3 1 1 A 6 6 SER HA H 6 4.535 4.956 -0.421 1
1 4 . 3 1 1 A 6 6 SER CA C 6 58.104 56.982 1.122 1
1 5 . 3 1 1 A 6 6 SER CB C 6 64.201 64.466 -0.265 1
1 6 . 3 1 1 A 7 7 GLY H H 7 7.998 8.188 -0.190 1
1 7 . 3 1 1 A 7 7 GLY HA2 H 7 3.978 4.095 -0.117 1
1 8 . 3 1 1 A 7 7 GLY HA3 H 7 3.515 4.158 -0.643 1
1 9 . 3 1 1 A 7 7 GLY CA C 7 44.050 45.393 -1.343 1
1 10 . 3 1 1 A 7 7 GLY N N 7 108.741 111.603 -2.862 1
1 11 . 3 1 1 A 8 8 PRO HA H 8 4.324 4.643 -0.319 1
1 18 . 3 1 1 A 8 8 PRO CA C 8 63.624 62.675 0.949 1
1 19 . 3 1 1 A 8 8 PRO CB C 8 32.235 33.257 -1.022 1
1 22 . 3 1 1 A 9 9 SER H H 9 8.323 8.654 -0.331 1
1 23 . 3 1 1 A 9 9 SER HA H 9 4.512 4.697 -0.185 1
1 26 . 3 1 1 A 9 9 SER C C 9 174.410 173.953 0.457 1
1 27 . 3 1 1 A 9 9 SER CA C 9 57.701 57.388 0.313 1
1 28 . 3 1 1 A 9 9 SER CB C 9 63.909 63.900 0.009 1
1 29 . 3 1 1 A 9 9 SER N N 9 115.299 116.530 -1.231 1
1 30 . 3 1 1 A 10 10 GLY H H 10 7.439 7.742 -0.303 1
1 31 . 3 1 1 A 10 10 GLY HA2 H 10 4.383 4.105 0.278 1
1 32 . 3 1 1 A 10 10 GLY HA3 H 10 3.951 4.191 -0.240 1
1 33 . 3 1 1 A 10 10 GLY C C 10 172.743 172.539 0.204 1
1 34 . 3 1 1 A 10 10 GLY CA C 10 43.924 45.196 -1.272 1
1 35 . 3 1 1 A 10 10 GLY N N 10 107.797 109.792 -1.995 1
1 36 . 3 1 1 A 11 11 PHE H H 11 7.534 8.452 -0.918 1
1 37 . 3 1 1 A 11 11 PHE HA H 11 5.519 5.472 0.047 1
1 44 . 3 1 1 A 11 11 PHE C C 11 173.822 173.481 0.341 1
1 45 . 3 1 1 A 11 11 PHE CA C 11 52.513 55.021 -2.508 1
1 46 . 3 1 1 A 11 11 PHE CB C 11 38.744 42.034 -3.290 1
1 51 . 3 1 1 A 11 11 PHE N N 11 115.246 115.882 -0.636 1
1 52 . 3 1 1 A 12 12 PRO HA H 12 4.285 4.717 -0.432 1
1 59 . 3 1 1 A 12 12 PRO C C 12 175.173 175.432 -0.259 1
1 60 . 3 1 1 A 12 12 PRO CA C 12 63.707 62.537 1.170 1
1 61 . 3 1 1 A 12 12 PRO CB C 12 32.344 33.579 -1.235 1
1 64 . 3 1 1 A 13 13 GLN H H 13 7.469 8.189 -0.720 1
1 65 . 3 1 1 A 13 13 GLN HA H 13 4.511 4.804 -0.293 1
1 72 . 3 1 1 A 13 13 GLN C C 13 175.349 175.161 0.188 1
1 73 . 3 1 1 A 13 13 GLN CA C 13 54.572 54.354 0.218 1
1 74 . 3 1 1 A 13 13 GLN CB C 13 32.848 31.939 0.909 1
1 76 . 3 1 1 A 13 13 GLN N N 13 120.555 118.420 2.135 1
1 78 . 3 1 1 A 14 14 ASN H H 14 8.978 8.877 0.101 1
1 79 . 3 1 1 A 14 14 ASN HA H 14 4.424 4.454 -0.030 1
1 84 . 3 1 1 A 14 14 ASN C C 14 174.770 173.931 0.839 1
1 85 . 3 1 1 A 14 14 ASN CA C 14 54.079 54.191 -0.112 1
1 86 . 3 1 1 A 14 14 ASN CB C 14 37.343 36.908 0.435 1
1 87 . 3 1 1 A 14 14 ASN N N 14 114.024 116.061 -2.037 1
1 89 . 3 1 1 A 15 15 LEU H H 15 8.437 7.993 0.444 1
1 90 . 3 1 1 A 15 15 LEU HA H 15 5.062 4.608 0.454 1
1 100 . 3 1 1 A 15 15 LEU C C 15 177.001 175.558 1.443 1
1 101 . 3 1 1 A 15 15 LEU CA C 15 56.667 55.045 1.622 1
1 102 . 3 1 1 A 15 15 LEU CB C 15 41.720 42.634 -0.914 1
1 106 . 3 1 1 A 15 15 LEU N N 15 121.843 121.673 0.170 1
1 107 . 3 1 1 A 16 16 HIS H H 16 9.492 8.255 1.237 1
1 108 . 3 1 1 A 16 16 HIS HA H 16 4.987 5.194 -0.207 1
1 113 . 3 1 1 A 16 16 HIS C C 16 171.333 171.742 -0.409 1
1 114 . 3 1 1 A 16 16 HIS CA C 16 55.153 54.742 0.411 1
1 115 . 3 1 1 A 16 16 HIS CB C 16 30.515 31.792 -1.277 1
1 118 . 3 1 1 A 16 16 HIS N N 16 121.636 121.721 -0.085 1
1 119 . 3 1 1 A 17 17 VAL H H 17 8.606 8.701 -0.095 1
1 120 . 3 1 1 A 17 17 VAL HA H 17 4.663 4.878 -0.215 1
1 128 . 3 1 1 A 17 17 VAL C C 17 177.740 176.371 1.369 1
1 129 . 3 1 1 A 17 17 VAL CA C 17 61.771 59.708 2.063 1
1 130 . 3 1 1 A 17 17 VAL CB C 17 33.476 34.542 -1.066 1
1 133 . 3 1 1 A 17 17 VAL N N 17 120.868 119.840 1.028 1
1 134 . 3 1 1 A 18 18 THR H H 18 9.022 8.849 0.173 1
1 135 . 3 1 1 A 18 18 THR HA H 18 4.516 4.425 0.091 1
1 140 . 3 1 1 A 18 18 THR C C 18 174.913 174.673 0.240 1
1 141 . 3 1 1 A 18 18 THR CA C 18 61.472 63.541 -2.069 1
1 142 . 3 1 1 A 18 18 THR CB C 18 68.725 70.133 -1.408 1
1 144 . 3 1 1 A 18 18 THR N N 18 117.096 122.448 -5.352 1
1 145 . 3 1 1 A 19 19 GLY H H 19 7.443 7.394 0.049 1
1 146 . 3 1 1 A 19 19 GLY HA2 H 19 4.177 4.033 0.144 1
1 147 . 3 1 1 A 19 19 GLY HA3 H 19 3.909 4.041 -0.132 1
1 148 . 3 1 1 A 19 19 GLY C C 19 170.720 172.641 -1.921 1
1 149 . 3 1 1 A 19 19 GLY CA C 19 45.877 45.642 0.235 1
1 150 . 3 1 1 A 19 19 GLY N N 19 111.594 108.503 3.091 1
1 151 . 3 1 1 A 20 20 LEU H H 20 8.400 8.481 -0.081 1
1 152 . 3 1 1 A 20 20 LEU HA H 20 4.803 4.415 0.388 1
1 162 . 3 1 1 A 20 20 LEU C C 20 175.350 176.008 -0.658 1
1 163 . 3 1 1 A 20 20 LEU CA C 20 55.557 54.380 1.177 1
1 164 . 3 1 1 A 20 20 LEU CB C 20 46.554 43.450 3.104 1
1 168 . 3 1 1 A 20 20 LEU N N 20 121.661 121.068 0.593 1
1 169 . 3 1 1 A 21 21 THR H H 21 7.720 8.509 -0.789 1
1 170 . 3 1 1 A 21 21 THR HA H 21 4.900 4.685 0.215 1
1 175 . 3 1 1 A 21 21 THR C C 21 174.986 175.161 -0.175 1
1 176 . 3 1 1 A 21 21 THR CA C 21 61.049 61.049 0.000 1
1 177 . 3 1 1 A 21 21 THR CB C 21 71.081 72.946 -1.865 1
1 179 . 3 1 1 A 21 21 THR N N 21 112.043 112.587 -0.544 1
1 180 . 3 1 1 A 22 22 THR H H 22 7.782 8.749 -0.967 1
1 181 . 3 1 1 A 22 22 THR HA H 22 4.657 4.197 0.460 1
1 186 . 3 1 1 A 22 22 THR C C 22 174.110 176.152 -2.042 1
1 187 . 3 1 1 A 22 22 THR CA C 22 63.654 65.696 -2.042 1
1 188 . 3 1 1 A 22 22 THR CB C 22 69.834 68.481 1.353 1
1 190 . 3 1 1 A 22 22 THR N N 22 110.558 119.242 -8.684 1
1 191 . 3 1 1 A 23 23 SER H H 23 7.289 7.700 -0.411 1
1 192 . 3 1 1 A 23 23 SER HA H 23 4.717 4.786 -0.069 1
1 195 . 3 1 1 A 23 23 SER C C 23 173.680 174.266 -0.586 1
1 196 . 3 1 1 A 23 23 SER CA C 23 57.212 60.391 -3.179 1
1 197 . 3 1 1 A 23 23 SER CB C 23 66.012 64.379 1.633 1
1 198 . 3 1 1 A 23 23 SER N N 23 107.116 115.400 -8.284 1
1 199 . 3 1 1 A 24 24 THR H H 24 7.174 7.650 -0.476 1
1 200 . 3 1 1 A 24 24 THR HA H 24 5.377 4.752 0.625 1
1 205 . 3 1 1 A 24 24 THR C C 24 176.427 173.434 2.993 1
1 206 . 3 1 1 A 24 24 THR CA C 24 58.656 59.629 -0.973 1
1 207 . 3 1 1 A 24 24 THR CB C 24 73.018 71.637 1.381 1
1 209 . 3 1 1 A 24 24 THR N N 24 111.053 112.158 -1.105 1
1 210 . 3 1 1 A 25 25 THR H H 25 8.180 8.360 -0.180 1
1 211 . 3 1 1 A 25 25 THR HA H 25 4.608 4.937 -0.329 1
1 216 . 3 1 1 A 25 25 THR C C 25 170.451 173.576 -3.125 1
1 217 . 3 1 1 A 25 25 THR CA C 25 63.619 61.641 1.978 1
1 218 . 3 1 1 A 25 25 THR CB C 25 75.464 71.557 3.907 1
1 220 . 3 1 1 A 25 25 THR N N 25 117.664 115.887 1.777 1
1 221 . 3 1 1 A 26 26 GLU H H 26 9.197 8.732 0.465 1
1 222 . 3 1 1 A 26 26 GLU HA H 26 4.706 4.523 0.183 1
1 227 . 3 1 1 A 26 26 GLU C C 26 174.626 175.513 -0.887 1
1 228 . 3 1 1 A 26 26 GLU CA C 26 55.751 57.190 -1.439 1
1 229 . 3 1 1 A 26 26 GLU CB C 26 30.917 30.778 0.139 1
1 231 . 3 1 1 A 26 26 GLU N N 26 130.706 126.628 4.078 1
1 232 . 3 1 1 A 27 27 LEU H H 27 9.001 8.428 0.573 1
1 233 . 3 1 1 A 27 27 LEU HA H 27 5.273 5.291 -0.018 1
1 243 . 3 1 1 A 27 27 LEU C C 27 176.770 175.660 1.110 1
1 244 . 3 1 1 A 27 27 LEU CA C 27 53.165 53.669 -0.504 1
1 245 . 3 1 1 A 27 27 LEU CB C 27 47.693 47.192 0.501 1
1 249 . 3 1 1 A 27 27 LEU N N 27 124.564 120.757 3.807 1
1 250 . 3 1 1 A 28 28 ALA H H 28 8.640 8.457 0.183 1
1 251 . 3 1 1 A 28 28 ALA HA H 28 4.577 4.739 -0.162 1
1 255 . 3 1 1 A 28 28 ALA C C 28 174.523 175.160 -0.637 1
1 256 . 3 1 1 A 28 28 ALA CA C 28 51.404 51.898 -0.494 1
1 257 . 3 1 1 A 28 28 ALA CB C 28 23.304 20.800 2.504 1
1 258 . 3 1 1 A 28 28 ALA N N 28 122.531 121.423 1.108 1
1 259 . 3 1 1 A 29 29 TRP H H 29 7.581 8.001 -0.420 1
1 260 . 3 1 1 A 29 29 TRP HA H 29 4.868 5.582 -0.714 1
1 269 . 3 1 1 A 29 29 TRP C C 29 172.280 172.928 -0.648 1
1 270 . 3 1 1 A 29 29 TRP CA C 29 56.948 54.661 2.287 1
1 271 . 3 1 1 A 29 29 TRP CB C 29 29.667 32.200 -2.533 1
1 277 . 3 1 1 A 29 29 TRP N N 29 115.551 120.280 -4.729 1
1 279 . 3 1 1 A 30 30 ASP H H 30 9.276 9.429 -0.153 1
1 280 . 3 1 1 A 30 30 ASP HA H 30 5.443 5.029 0.414 1
1 283 . 3 1 1 A 30 30 ASP C C 30 173.846 173.670 0.176 1
1 284 . 3 1 1 A 30 30 ASP CA C 30 51.562 50.880 0.682 1
1 285 . 3 1 1 A 30 30 ASP CB C 30 42.533 42.497 0.036 1
1 286 . 3 1 1 A 30 30 ASP N N 30 117.265 120.153 -2.888 1
1 287 . 3 1 1 A 31 31 PRO HA H 31 5.105 4.906 0.199 1
1 294 . 3 1 1 A 31 31 PRO CA C 31 61.905 61.446 0.459 1
1 295 . 3 1 1 A 31 31 PRO CB C 31 29.864 31.473 -1.609 1
1 298 . 3 1 1 A 32 32 PRO HA H 32 4.580 4.529 0.051 1
1 305 . 3 1 1 A 32 32 PRO CA C 32 62.036 62.917 -0.881 1
1 306 . 3 1 1 A 32 32 PRO CB C 32 30.840 31.968 -1.128 1
1 309 . 3 1 1 A 33 33 VAL H H 33 8.755 8.145 0.610 1
1 310 . 3 1 1 A 33 33 VAL HA H 33 3.994 4.189 -0.195 1
1 318 . 3 1 1 A 33 33 VAL CA C 33 62.553 62.279 0.274 1
1 319 . 3 1 1 A 33 33 VAL CB C 33 31.763 32.439 -0.676 1
1 322 . 3 1 1 A 33 33 VAL N N 33 120.113 119.795 0.318 1
1 323 . 3 1 1 A 34 34 LEU H H 34 8.469 8.803 -0.334 1
1 324 . 3 1 1 A 34 34 LEU HA H 34 3.768 3.912 -0.144 1
1 334 . 3 1 1 A 34 34 LEU CA C 34 58.809 57.816 0.993 1
1 335 . 3 1 1 A 34 34 LEU CB C 34 42.426 41.652 0.774 1
1 339 . 3 1 1 A 34 34 LEU N N 34 125.095 124.246 0.849 1
1 340 . 3 1 1 A 35 35 ALA H H 35 8.586 7.964 0.622 1
1 341 . 3 1 1 A 35 35 ALA HA H 35 4.171 4.007 0.164 1
1 345 . 3 1 1 A 35 35 ALA CA C 35 53.957 55.285 -1.328 1
1 346 . 3 1 1 A 35 35 ALA CB C 35 19.056 17.984 1.072 1
1 347 . 3 1 1 A 35 35 ALA N N 35 119.010 122.076 -3.066 1
1 348 . 3 1 1 A 36 36 GLU H H 36 8.070 7.858 0.212 1
1 349 . 3 1 1 A 36 36 GLU HA H 36 4.305 4.158 0.147 1
1 354 . 3 1 1 A 36 36 GLU CA C 36 55.527 59.524 -3.997 1
1 355 . 3 1 1 A 36 36 GLU CB C 36 29.845 29.634 0.211 1
1 357 . 3 1 1 A 36 36 GLU N N 36 115.604 117.370 -1.766 1
1 358 . 3 1 1 A 37 37 ARG HA H 37 3.758 4.333 -0.575 1
1 365 . 3 1 1 A 37 37 ARG CA C 37 60.050 56.183 3.867 1
1 366 . 3 1 1 A 37 37 ARG CB C 37 30.804 31.042 -0.238 1
1 369 . 3 1 1 A 37 37 ARG N N 37 122.198 118.516 3.682 1
1 370 . 3 1 1 A 38 38 ASN H H 38 8.093 9.192 -1.099 1
1 371 . 3 1 1 A 38 38 ASN HA H 38 4.291 4.929 -0.638 1
1 376 . 3 1 1 A 38 38 ASN C C 38 174.619 175.948 -1.329 1
1 377 . 3 1 1 A 38 38 ASN CA C 38 53.287 54.341 -1.054 1
1 378 . 3 1 1 A 38 38 ASN CB C 38 37.482 40.215 -2.733 1
1 379 . 3 1 1 A 38 38 ASN N N 38 109.319 117.646 -8.327 1
1 381 . 3 1 1 A 39 39 GLY H H 39 7.575 7.869 -0.294 1
1 382 . 3 1 1 A 39 39 GLY HA2 H 39 4.320 4.101 0.219 1
1 383 . 3 1 1 A 39 39 GLY HA3 H 39 3.697 4.103 -0.406 1
1 384 . 3 1 1 A 39 39 GLY C C 39 172.138 172.975 -0.837 1
1 385 . 3 1 1 A 39 39 GLY CA C 39 43.766 44.948 -1.182 1
1 386 . 3 1 1 A 39 39 GLY N N 39 105.607 104.885 0.722 1
1 387 . 3 1 1 A 40 40 ARG H H 40 8.180 8.354 -0.174 1
1 388 . 3 1 1 A 40 40 ARG HA H 40 4.333 5.085 -0.752 1
1 395 . 3 1 1 A 40 40 ARG C C 40 176.395 174.783 1.612 1
1 396 . 3 1 1 A 40 40 ARG CA C 40 55.453 54.102 1.351 1
1 397 . 3 1 1 A 40 40 ARG CB C 40 30.999 34.345 -3.346 1
1 400 . 3 1 1 A 40 40 ARG N N 40 119.566 121.415 -1.849 1
1 401 . 3 1 1 A 41 41 ILE H H 41 8.991 9.023 -0.032 1
1 402 . 3 1 1 A 41 41 ILE HA H 41 4.256 4.576 -0.320 1
1 412 . 3 1 1 A 41 41 ILE CA C 41 59.279 60.258 -0.979 1
1 413 . 3 1 1 A 41 41 ILE CB C 41 35.329 39.496 -4.167 1
1 417 . 3 1 1 A 41 41 ILE N N 41 127.226 122.958 4.268 1
1 418 . 3 1 1 A 42 42 ILE H H 42 8.721 8.908 -0.187 1
1 419 . 3 1 1 A 42 42 ILE HA H 42 4.475 4.490 -0.015 1
1 429 . 3 1 1 A 42 42 ILE C C 42 175.959 176.286 -0.327 1
1 430 . 3 1 1 A 42 42 ILE CA C 42 61.208 61.396 -0.188 1
1 431 . 3 1 1 A 42 42 ILE CB C 42 39.771 39.228 0.543 1
1 435 . 3 1 1 A 42 42 ILE N N 42 122.018 121.103 0.915 1
1 436 . 3 1 1 A 43 43 SER H H 43 7.425 7.698 -0.273 1
1 437 . 3 1 1 A 43 43 SER HA H 43 4.555 4.989 -0.434 1
1 440 . 3 1 1 A 43 43 SER C C 43 170.232 171.940 -1.708 1
1 441 . 3 1 1 A 43 43 SER CA C 43 58.234 57.898 0.336 1
1 442 . 3 1 1 A 43 43 SER CB C 43 64.287 66.590 -2.303 1
1 443 . 3 1 1 A 43 43 SER N N 43 113.043 116.532 -3.489 1
1 444 . 3 1 1 A 44 44 TYR H H 44 9.297 8.353 0.944 1
1 445 . 3 1 1 A 44 44 TYR HA H 44 5.741 5.873 -0.132 1
1 452 . 3 1 1 A 44 44 TYR C C 44 175.735 175.266 0.469 1
1 453 . 3 1 1 A 44 44 TYR CA C 44 57.137 56.299 0.838 1
1 454 . 3 1 1 A 44 44 TYR CB C 44 42.410 43.313 -0.903 1
1 459 . 3 1 1 A 44 44 TYR N N 44 116.157 119.171 -3.014 1
1 460 . 3 1 1 A 45 45 THR H H 45 8.778 8.733 0.045 1
1 461 . 3 1 1 A 45 45 THR HA H 45 5.094 5.229 -0.135 1
1 466 . 3 1 1 A 45 45 THR C C 45 173.026 173.454 -0.428 1
1 467 . 3 1 1 A 45 45 THR CA C 45 61.853 61.577 0.276 1
1 468 . 3 1 1 A 45 45 THR CB C 45 71.072 71.184 -0.112 1
1 470 . 3 1 1 A 45 45 THR N N 45 114.801 115.798 -0.997 1
1 471 . 3 1 1 A 46 46 VAL H H 46 9.145 8.672 0.473 1
1 472 . 3 1 1 A 46 46 VAL HA H 46 4.244 4.650 -0.406 1
1 480 . 3 1 1 A 46 46 VAL C C 46 174.278 175.309 -1.031 1
1 481 . 3 1 1 A 46 46 VAL CA C 46 61.137 62.353 -1.216 1
1 482 . 3 1 1 A 46 46 VAL CB C 46 32.999 30.925 2.074 1
1 485 . 3 1 1 A 46 46 VAL N N 46 127.180 127.958 -0.778 1
1 486 . 3 1 1 A 47 47 VAL H H 47 9.041 8.498 0.543 1
1 487 . 3 1 1 A 47 47 VAL HA H 47 5.004 4.626 0.378 1
1 495 . 3 1 1 A 47 47 VAL C C 47 175.023 175.642 -0.619 1
1 496 . 3 1 1 A 47 47 VAL CA C 47 60.996 61.651 -0.655 1
1 497 . 3 1 1 A 47 47 VAL CB C 47 33.488 32.099 1.389 1
1 500 . 3 1 1 A 47 47 VAL N N 47 128.169 128.632 -0.463 1
1 501 . 3 1 1 A 48 48 PHE H H 48 9.169 9.049 0.120 1
1 502 . 3 1 1 A 48 48 PHE HA H 48 6.209 6.151 0.058 1
1 510 . 3 1 1 A 48 48 PHE C C 48 173.210 173.508 -0.298 1
1 511 . 3 1 1 A 48 48 PHE CA C 48 54.702 55.117 -0.415 1
1 512 . 3 1 1 A 48 48 PHE CB C 48 43.316 42.781 0.535 1
1 518 . 3 1 1 A 48 48 PHE N N 48 123.753 124.247 -0.494 1
1 519 . 3 1 1 A 49 49 ARG H H 49 8.693 8.713 -0.020 1
1 520 . 3 1 1 A 49 49 ARG HA H 49 4.817 4.688 0.129 1
1 528 . 3 1 1 A 49 49 ARG C C 49 175.280 174.099 1.181 1
1 529 . 3 1 1 A 49 49 ARG CA C 49 54.801 55.194 -0.393 1
1 530 . 3 1 1 A 49 49 ARG CB C 49 35.242 34.253 0.989 1
1 533 . 3 1 1 A 49 49 ARG N N 49 118.793 120.833 -2.040 1
1 535 . 3 1 1 A 50 50 ASP H H 50 8.820 9.020 -0.200 1
1 536 . 3 1 1 A 50 50 ASP HA H 50 4.029 4.401 -0.372 1
1 539 . 3 1 1 A 50 50 ASP C C 50 178.592 177.821 0.771 1
1 540 . 3 1 1 A 50 50 ASP CA C 50 53.498 54.303 -0.805 1
1 541 . 3 1 1 A 50 50 ASP CB C 50 40.543 40.418 0.125 1
1 542 . 3 1 1 A 50 50 ASP N N 50 128.720 125.026 3.694 1
1 543 . 3 1 1 A 51 51 ILE H H 51 8.315 8.382 -0.067 1
1 544 . 3 1 1 A 51 51 ILE HA H 51 3.892 3.912 -0.020 1
1 554 . 3 1 1 A 51 51 ILE C C 51 176.905 176.409 0.496 1
1 555 . 3 1 1 A 51 51 ILE CA C 51 64.569 63.139 1.430 1
1 556 . 3 1 1 A 51 51 ILE CB C 51 38.126 37.841 0.285 1
1 560 . 3 1 1 A 51 51 ILE N N 51 124.642 124.246 0.396 1
1 561 . 3 1 1 A 52 52 ASN H H 52 8.677 7.774 0.903 1
1 562 . 3 1 1 A 52 52 ASN HA H 52 4.760 4.773 -0.013 1
1 567 . 3 1 1 A 52 52 ASN C C 52 174.645 174.754 -0.109 1
1 568 . 3 1 1 A 52 52 ASN CA C 52 53.851 53.404 0.447 1
1 569 . 3 1 1 A 52 52 ASN CB C 52 39.032 39.606 -0.574 1
1 570 . 3 1 1 A 52 52 ASN N N 52 119.201 118.857 0.344 1
1 572 . 3 1 1 A 53 53 SER H H 53 8.409 8.050 0.359 1
1 573 . 3 1 1 A 53 53 SER HA H 53 4.663 4.961 -0.298 1
1 576 . 3 1 1 A 53 53 SER C C 53 173.861 173.581 0.280 1
1 577 . 3 1 1 A 53 53 SER CA C 53 56.702 57.663 -0.961 1
1 578 . 3 1 1 A 53 53 SER CB C 53 65.730 67.127 -1.397 1
1 579 . 3 1 1 A 53 53 SER N N 53 116.494 115.059 1.435 1
1 580 . 3 1 1 A 54 54 GLN H H 54 8.489 8.447 0.042 1
1 581 . 3 1 1 A 54 54 GLN HA H 54 4.329 4.582 -0.253 1
1 588 . 3 1 1 A 54 54 GLN C C 54 175.789 175.235 0.554 1
1 589 . 3 1 1 A 54 54 GLN CA C 54 55.857 54.827 1.030 1
1 590 . 3 1 1 A 54 54 GLN CB C 54 28.847 28.170 0.677 1
1 592 . 3 1 1 A 54 54 GLN N N 54 119.700 119.289 0.411 1
1 594 . 3 1 1 A 55 55 GLN H H 55 8.108 7.595 0.513 1
1 595 . 3 1 1 A 55 55 GLN HA H 55 4.269 4.600 -0.331 1
1 602 . 3 1 1 A 55 55 GLN C C 55 174.076 174.567 -0.491 1
1 603 . 3 1 1 A 55 55 GLN CA C 55 55.689 54.899 0.790 1
1 604 . 3 1 1 A 55 55 GLN CB C 55 29.352 29.613 -0.261 1
1 606 . 3 1 1 A 55 55 GLN N N 55 120.355 121.659 -1.304 1
1 608 . 3 1 1 A 56 56 GLU H H 56 8.603 8.857 -0.254 1
1 609 . 3 1 1 A 56 56 GLU HA H 56 4.372 4.703 -0.331 1
1 614 . 3 1 1 A 56 56 GLU C C 56 175.058 175.423 -0.365 1
1 615 . 3 1 1 A 56 56 GLU CA C 56 55.594 56.100 -0.506 1
1 616 . 3 1 1 A 56 56 GLU CB C 56 31.640 30.800 0.840 1
1 618 . 3 1 1 A 56 56 GLU N N 56 126.250 128.535 -2.285 1
1 619 . 3 1 1 A 57 57 LEU H H 57 8.520 8.037 0.483 1
1 620 . 3 1 1 A 57 57 LEU HA H 57 4.458 4.757 -0.299 1
1 630 . 3 1 1 A 57 57 LEU C C 57 174.850 174.519 0.331 1
1 631 . 3 1 1 A 57 57 LEU CA C 57 53.780 53.201 0.579 1
1 632 . 3 1 1 A 57 57 LEU CB C 57 43.903 46.374 -2.471 1
1 636 . 3 1 1 A 57 57 LEU N N 57 127.205 126.422 0.783 1
1 637 . 3 1 1 A 58 58 GLN H H 58 7.992 8.685 -0.693 1
1 638 . 3 1 1 A 58 58 GLN HA H 58 5.865 5.548 0.317 1
1 645 . 3 1 1 A 58 58 GLN C C 58 175.948 173.638 2.310 1
1 646 . 3 1 1 A 58 58 GLN CA C 58 53.944 54.452 -0.508 1
1 647 . 3 1 1 A 58 58 GLN CB C 58 32.786 32.821 -0.035 1
1 649 . 3 1 1 A 58 58 GLN N N 58 113.562 118.126 -4.564 1
1 651 . 3 1 1 A 59 59 ASN H H 59 9.073 9.068 0.005 1
1 652 . 3 1 1 A 59 59 ASN HA H 59 5.068 5.468 -0.400 1
1 657 . 3 1 1 A 59 59 ASN C C 59 172.790 174.132 -1.342 1
1 658 . 3 1 1 A 59 59 ASN CA C 59 53.023 51.605 1.418 1
1 659 . 3 1 1 A 59 59 ASN CB C 59 45.541 42.846 2.695 1
1 660 . 3 1 1 A 59 59 ASN N N 59 119.984 117.615 2.369 1
1 662 . 3 1 1 A 60 60 ILE H H 60 8.491 8.527 -0.036 1
1 663 . 3 1 1 A 60 60 ILE HA H 60 5.147 5.092 0.055 1
1 673 . 3 1 1 A 60 60 ILE C C 60 175.088 174.667 0.421 1
1 674 . 3 1 1 A 60 60 ILE CA C 60 59.853 60.127 -0.274 1
1 675 . 3 1 1 A 60 60 ILE CB C 60 40.891 41.399 -0.508 1
1 679 . 3 1 1 A 60 60 ILE N N 60 119.480 120.459 -0.979 1
1 680 . 3 1 1 A 61 61 THR H H 61 8.755 8.272 0.483 1
1 681 . 3 1 1 A 61 61 THR HA H 61 4.976 5.193 -0.217 1
1 686 . 3 1 1 A 61 61 THR C C 61 172.097 174.283 -2.186 1
1 687 . 3 1 1 A 61 61 THR CA C 61 59.905 60.275 -0.370 1
1 688 . 3 1 1 A 61 61 THR CB C 61 69.505 71.616 -2.111 1
1 690 . 3 1 1 A 61 61 THR N N 61 118.083 118.890 -0.807 1
1 691 . 3 1 1 A 62 62 THR H H 62 8.325 8.613 -0.288 1
1 692 . 3 1 1 A 62 62 THR HA H 62 4.641 4.362 0.279 1
1 697 . 3 1 1 A 62 62 THR C C 62 174.386 174.760 -0.374 1
1 698 . 3 1 1 A 62 62 THR CA C 62 62.440 63.348 -0.908 1
1 699 . 3 1 1 A 62 62 THR CB C 62 69.355 69.004 0.351 1
1 701 . 3 1 1 A 62 62 THR N N 62 115.077 117.659 -2.582 1
1 702 . 3 1 1 A 63 63 ASP H H 63 8.611 7.758 0.853 1
1 703 . 3 1 1 A 63 63 ASP HA H 63 4.962 4.956 0.006 1
1 706 . 3 1 1 A 63 63 ASP C C 63 172.906 176.645 -3.739 1
1 707 . 3 1 1 A 63 63 ASP CA C 63 52.981 52.783 0.198 1
1 708 . 3 1 1 A 63 63 ASP CB C 63 43.465 41.733 1.732 1
1 709 . 3 1 1 A 63 63 ASP N N 63 125.713 122.895 2.818 1
1 710 . 3 1 1 A 64 64 THR H H 64 7.925 8.303 -0.378 1
1 711 . 3 1 1 A 64 64 THR HA H 64 3.088 3.821 -0.733 1
1 716 . 3 1 1 A 64 64 THR C C 64 172.176 171.903 0.273 1
1 717 . 3 1 1 A 64 64 THR CA C 64 59.078 61.419 -2.341 1
1 718 . 3 1 1 A 64 64 THR CB C 64 66.137 68.145 -2.008 1
1 720 . 3 1 1 A 64 64 THR N N 64 104.287 112.748 -8.461 1
1 721 . 3 1 1 A 65 65 ARG H H 65 6.387 7.378 -0.991 1
1 722 . 3 1 1 A 65 65 ARG HA H 65 4.221 3.793 0.428 1
1 729 . 3 1 1 A 65 65 ARG C C 65 174.862 174.112 0.750 1
1 730 . 3 1 1 A 65 65 ARG CA C 65 54.132 53.487 0.645 1
1 731 . 3 1 1 A 65 65 ARG CB C 65 32.928 34.075 -1.147 1
1 734 . 3 1 1 A 65 65 ARG N N 65 115.062 118.590 -3.528 1
1 735 . 3 1 1 A 66 66 PHE H H 66 8.177 8.980 -0.803 1
1 736 . 3 1 1 A 66 66 PHE HA H 66 4.373 4.928 -0.555 1
1 744 . 3 1 1 A 66 66 PHE C C 66 172.804 173.166 -0.362 1
1 745 . 3 1 1 A 66 66 PHE CA C 66 59.536 58.194 1.342 1
1 746 . 3 1 1 A 66 66 PHE CB C 66 44.469 42.059 2.410 1
1 752 . 3 1 1 A 66 66 PHE N N 66 119.991 119.742 0.249 1
1 753 . 3 1 1 A 67 67 THR H H 67 7.332 7.505 -0.173 1
1 754 . 3 1 1 A 67 67 THR HA H 67 4.628 5.118 -0.490 1
1 759 . 3 1 1 A 67 67 THR C C 67 172.910 173.893 -0.983 1
1 760 . 3 1 1 A 67 67 THR CA C 67 61.261 61.161 0.100 1
1 761 . 3 1 1 A 67 67 THR CB C 67 69.260 71.421 -2.161 1
1 763 . 3 1 1 A 67 67 THR N N 67 123.294 117.983 5.311 1
1 764 . 3 1 1 A 68 68 LEU H H 68 8.776 9.222 -0.446 1
1 765 . 3 1 1 A 68 68 LEU HA H 68 4.192 4.343 -0.151 1
1 775 . 3 1 1 A 68 68 LEU C C 68 176.337 175.900 0.437 1
1 776 . 3 1 1 A 68 68 LEU CA C 68 54.394 54.758 -0.364 1
1 777 . 3 1 1 A 68 68 LEU CB C 68 42.394 42.119 0.275 1
1 781 . 3 1 1 A 68 68 LEU N N 68 126.969 127.926 -0.957 1
1 782 . 3 1 1 A 69 69 THR H H 69 7.921 8.277 -0.356 1
1 783 . 3 1 1 A 69 69 THR HA H 69 4.814 4.638 0.176 1
1 788 . 3 1 1 A 69 69 THR C C 69 173.856 173.578 0.278 1
1 789 . 3 1 1 A 69 69 THR CA C 69 59.694 60.607 -0.913 1
1 790 . 3 1 1 A 69 69 THR CB C 69 71.829 71.534 0.295 1
1 792 . 3 1 1 A 69 69 THR N N 69 111.246 111.424 -0.178 1
1 793 . 3 1 1 A 70 70 GLY H H 70 8.894 8.641 0.253 1
1 794 . 3 1 1 A 70 70 GLY HA2 H 70 3.930 3.851 0.079 1
1 795 . 3 1 1 A 70 70 GLY HA3 H 70 3.809 3.873 -0.064 1
1 796 . 3 1 1 A 70 70 GLY C C 70 175.589 174.659 0.930 1
1 797 . 3 1 1 A 70 70 GLY CA C 70 46.178 46.671 -0.493 1
1 798 . 3 1 1 A 70 70 GLY N N 70 107.415 112.377 -4.962 1
1 799 . 3 1 1 A 71 71 LEU H H 71 8.341 7.891 0.450 1
1 800 . 3 1 1 A 71 71 LEU HA H 71 4.195 4.843 -0.648 1
1 810 . 3 1 1 A 71 71 LEU C C 71 175.422 175.473 -0.051 1
1 811 . 3 1 1 A 71 71 LEU CA C 71 53.429 53.545 -0.116 1
1 812 . 3 1 1 A 71 71 LEU CB C 71 40.650 43.199 -2.549 1
1 816 . 3 1 1 A 71 71 LEU N N 71 118.621 120.690 -2.069 1
1 817 . 3 1 1 A 72 72 LYS H H 72 8.298 9.257 -0.959 1
1 818 . 3 1 1 A 72 72 LYS HA H 72 4.631 4.849 -0.218 1
1 827 . 3 1 1 A 72 72 LYS C C 72 174.599 175.301 -0.702 1
1 828 . 3 1 1 A 72 72 LYS CA C 72 53.851 54.023 -0.172 1
1 829 . 3 1 1 A 72 72 LYS CB C 72 33.619 34.450 -0.831 1
1 833 . 3 1 1 A 72 72 LYS N N 72 121.340 122.407 -1.067 1
1 834 . 3 1 1 A 73 73 PRO HA H 73 5.086 4.732 0.354 1
1 841 . 3 1 1 A 73 73 PRO C C 73 178.198 177.219 0.979 1
1 842 . 3 1 1 A 73 73 PRO CA C 73 62.897 63.547 -0.650 1
1 843 . 3 1 1 A 73 73 PRO CB C 73 33.198 32.103 1.095 1
1 846 . 3 1 1 A 74 74 ASP H H 74 7.537 9.020 -1.483 1
1 847 . 3 1 1 A 74 74 ASP HA H 74 4.290 4.279 0.011 1
1 850 . 3 1 1 A 74 74 ASP C C 74 174.390 174.714 -0.324 1
1 851 . 3 1 1 A 74 74 ASP CA C 74 54.343 55.161 -0.818 1
1 852 . 3 1 1 A 74 74 ASP CB C 74 41.393 39.765 1.628 1
1 853 . 3 1 1 A 74 74 ASP N N 74 126.834 121.601 5.233 1
1 854 . 3 1 1 A 75 75 THR H H 75 8.197 7.247 0.950 1
1 855 . 3 1 1 A 75 75 THR HA H 75 4.316 4.851 -0.535 1
1 860 . 3 1 1 A 75 75 THR C C 75 172.076 173.485 -1.409 1
1 861 . 3 1 1 A 75 75 THR CA C 75 63.087 61.327 1.760 1
1 862 . 3 1 1 A 75 75 THR CB C 75 71.822 72.364 -0.542 1
1 864 . 3 1 1 A 75 75 THR N N 75 113.905 112.377 1.528 1
1 865 . 3 1 1 A 76 76 THR H H 76 8.606 8.709 -0.103 1
1 866 . 3 1 1 A 76 76 THR HA H 76 4.641 4.407 0.234 1
1 871 . 3 1 1 A 76 76 THR C C 76 172.308 173.876 -1.568 1
1 872 . 3 1 1 A 76 76 THR CA C 76 63.197 63.592 -0.395 1
1 873 . 3 1 1 A 76 76 THR CB C 76 68.333 69.161 -0.828 1
1 875 . 3 1 1 A 76 76 THR N N 76 124.170 121.349 2.821 1
1 876 . 3 1 1 A 77 77 TYR H H 77 9.230 8.904 0.326 1
1 877 . 3 1 1 A 77 77 TYR HA H 77 5.084 5.075 0.009 1
1 884 . 3 1 1 A 77 77 TYR C C 77 174.065 174.419 -0.354 1
1 885 . 3 1 1 A 77 77 TYR CA C 77 57.443 56.326 1.117 1
1 886 . 3 1 1 A 77 77 TYR CB C 77 41.115 39.953 1.162 1
1 891 . 3 1 1 A 77 77 TYR N N 77 125.729 126.418 -0.689 1
1 892 . 3 1 1 A 78 78 ASP H H 78 9.222 9.264 -0.042 1
1 893 . 3 1 1 A 78 78 ASP HA H 78 5.288 4.798 0.490 1
1 896 . 3 1 1 A 78 78 ASP C C 78 176.268 174.806 1.462 1
1 897 . 3 1 1 A 78 78 ASP CA C 78 53.565 54.125 -0.560 1
1 898 . 3 1 1 A 78 78 ASP CB C 78 44.874 40.723 4.151 1
1 899 . 3 1 1 A 78 78 ASP N N 78 124.016 125.658 -1.642 1
1 900 . 3 1 1 A 79 79 ILE H H 79 9.210 8.566 0.644 1
1 901 . 3 1 1 A 79 79 ILE HA H 79 5.027 5.308 -0.281 1
1 911 . 3 1 1 A 79 79 ILE C C 79 172.968 174.788 -1.820 1
1 912 . 3 1 1 A 79 79 ILE CA C 79 61.102 59.910 1.192 1
1 913 . 3 1 1 A 79 79 ILE CB C 79 41.830 40.379 1.451 1
1 917 . 3 1 1 A 79 79 ILE N N 79 127.527 127.402 0.125 1
1 918 . 3 1 1 A 80 80 LYS H H 80 8.930 9.278 -0.348 1
1 919 . 3 1 1 A 80 80 LYS HA H 80 4.282 5.126 -0.844 1
1 928 . 3 1 1 A 80 80 LYS C C 80 173.716 174.314 -0.598 1
1 929 . 3 1 1 A 80 80 LYS CA C 80 54.749 53.953 0.796 1
1 930 . 3 1 1 A 80 80 LYS CB C 80 37.864 36.808 1.056 1
1 934 . 3 1 1 A 80 80 LYS N N 80 122.620 124.507 -1.887 1
1 935 . 3 1 1 A 81 81 VAL H H 81 8.070 8.862 -0.792 1
1 936 . 3 1 1 A 81 81 VAL HA H 81 5.365 4.836 0.529 1
1 944 . 3 1 1 A 81 81 VAL C C 81 174.099 173.609 0.490 1
1 945 . 3 1 1 A 81 81 VAL CA C 81 59.228 59.433 -0.205 1
1 946 . 3 1 1 A 81 81 VAL CB C 81 36.108 35.140 0.968 1
1 949 . 3 1 1 A 81 81 VAL N N 81 115.045 119.108 -4.063 1
1 950 . 3 1 1 A 82 82 ARG H H 82 8.733 8.896 -0.163 1
1 951 . 3 1 1 A 82 82 ARG HA H 82 4.984 5.093 -0.109 1
1 959 . 3 1 1 A 82 82 ARG C C 82 172.874 174.726 -1.852 1
1 960 . 3 1 1 A 82 82 ARG CA C 82 53.552 54.861 -1.309 1
1 961 . 3 1 1 A 82 82 ARG CB C 82 34.521 33.957 0.564 1
1 964 . 3 1 1 A 82 82 ARG N N 82 122.032 123.708 -1.676 1
1 966 . 3 1 1 A 83 83 ALA H H 83 9.221 8.611 0.610 1
1 967 . 3 1 1 A 83 83 ALA HA H 83 5.132 3.901 1.231 1
1 971 . 3 1 1 A 83 83 ALA C C 83 174.998 176.949 -1.951 1
1 972 . 3 1 1 A 83 83 ALA CA C 83 50.383 51.896 -1.513 1
1 973 . 3 1 1 A 83 83 ALA CB C 83 23.472 19.633 3.839 1
1 974 . 3 1 1 A 83 83 ALA N N 83 124.044 125.722 -1.678 1
1 975 . 3 1 1 A 84 84 TRP H H 84 8.387 8.595 -0.208 1
1 976 . 3 1 1 A 84 84 TRP HA H 84 5.020 5.213 -0.193 1
1 985 . 3 1 1 A 84 84 TRP C C 84 177.430 175.266 2.164 1
1 986 . 3 1 1 A 84 84 TRP CA C 84 56.807 56.417 0.390 1
1 987 . 3 1 1 A 84 84 TRP CB C 84 31.235 33.288 -2.053 1
1 993 . 3 1 1 A 84 84 TRP N N 84 117.779 120.281 -2.502 1
1 995 . 3 1 1 A 85 85 THR H H 85 8.698 8.706 -0.008 1
1 996 . 3 1 1 A 85 85 THR HA H 85 5.190 5.163 0.027 1
1 1001 . 3 1 1 A 85 85 THR C C 85 176.429 175.546 0.883 1
1 1002 . 3 1 1 A 85 85 THR CA C 85 59.958 59.946 0.012 1
1 1003 . 3 1 1 A 85 85 THR CB C 85 72.646 71.744 0.902 1
1 1005 . 3 1 1 A 85 85 THR N N 85 111.404 113.079 -1.675 1
1 1006 . 3 1 1 A 86 86 SER H H 86 9.765 9.204 0.561 1
1 1007 . 3 1 1 A 86 86 SER HA H 86 4.242 4.153 0.089 1
1 1010 . 3 1 1 A 86 86 SER C C 86 174.834 176.526 -1.692 1
1 1011 . 3 1 1 A 86 86 SER CA C 86 61.014 61.121 -0.107 1
1 1012 . 3 1 1 A 86 86 SER CB C 86 62.807 62.796 0.011 1
1 1013 . 3 1 1 A 86 86 SER N N 86 115.745 117.899 -2.154 1
1 1014 . 3 1 1 A 87 87 LYS H H 87 7.947 7.889 0.058 1
1 1015 . 3 1 1 A 87 87 LYS HA H 87 4.426 4.193 0.233 1
1 1024 . 3 1 1 A 87 87 LYS C C 87 176.373 176.967 -0.594 1
1 1025 . 3 1 1 A 87 87 LYS CA C 87 55.857 58.876 -3.019 1
1 1026 . 3 1 1 A 87 87 LYS CB C 87 33.386 32.918 0.468 1
1 1030 . 3 1 1 A 87 87 LYS N N 87 118.254 118.900 -0.646 1
1 1031 . 3 1 1 A 88 88 GLY H H 88 7.400 6.947 0.453 1
1 1032 . 3 1 1 A 88 88 GLY HA2 H 88 4.446 4.077 0.369 1
1 1033 . 3 1 1 A 88 88 GLY HA3 H 88 3.990 4.203 -0.213 1
1 1034 . 3 1 1 A 88 88 GLY C C 88 171.366 171.437 -0.071 1
1 1035 . 3 1 1 A 88 88 GLY CA C 88 45.006 46.056 -1.050 1
1 1036 . 3 1 1 A 88 88 GLY N N 88 106.086 104.120 1.966 1
1 1037 . 3 1 1 A 89 89 SER H H 89 8.048 8.261 -0.213 1
1 1038 . 3 1 1 A 89 89 SER HA H 89 3.899 4.411 -0.512 1
1 1041 . 3 1 1 A 89 89 SER CA C 89 56.522 55.351 1.171 1
1 1042 . 3 1 1 A 89 89 SER CB C 89 63.965 65.022 -1.057 1
1 1043 . 3 1 1 A 89 89 SER N N 89 113.549 116.750 -3.201 1
1 1044 . 3 1 1 A 90 90 GLY H H 90 8.282 7.922 0.360 1
1 1045 . 3 1 1 A 90 90 GLY HA2 H 90 4.637 4.040 0.597 1
1 1046 . 3 1 1 A 90 90 GLY HA3 H 90 3.696 4.047 -0.351 1
1 1047 . 3 1 1 A 90 90 GLY CA C 90 44.399 44.091 0.308 1
1 1048 . 3 1 1 A 90 90 GLY N N 90 109.030 110.225 -1.195 1
1 1049 . 3 1 1 A 91 91 PRO HA H 91 4.448 4.529 -0.081 1
1 1056 . 3 1 1 A 91 91 PRO C C 91 177.760 175.121 2.639 1
1 1057 . 3 1 1 A 91 91 PRO CA C 91 62.229 62.567 -0.338 1
1 1058 . 3 1 1 A 91 91 PRO CB C 91 32.367 33.048 -0.681 1
1 1061 . 3 1 1 A 92 92 LEU H H 92 8.373 8.320 0.053 1
1 1062 . 3 1 1 A 92 92 LEU HA H 92 4.110 4.723 -0.613 1
1 1072 . 3 1 1 A 92 92 LEU C C 92 176.841 176.397 0.444 1
1 1073 . 3 1 1 A 92 92 LEU CA C 92 55.163 53.542 1.621 1
1 1074 . 3 1 1 A 92 92 LEU CB C 92 43.188 43.384 -0.196 1
1 1078 . 3 1 1 A 92 92 LEU N N 92 121.096 122.022 -0.926 1
1 1079 . 3 1 1 A 93 93 SER H H 93 8.629 9.175 -0.546 1
1 1080 . 3 1 1 A 93 93 SER HA H 93 3.683 4.347 -0.664 1
1 1083 . 3 1 1 A 93 93 SER C C 93 171.637 173.742 -2.105 1
1 1084 . 3 1 1 A 93 93 SER CA C 93 56.900 56.957 -0.057 1
1 1085 . 3 1 1 A 93 93 SER CB C 93 62.923 62.828 0.095 1
1 1086 . 3 1 1 A 93 93 SER N N 93 116.072 121.102 -5.030 1
1 1087 . 3 1 1 A 94 94 PRO HA H 94 4.330 4.527 -0.197 1
1 1094 . 3 1 1 A 94 94 PRO C C 94 178.093 177.216 0.877 1
1 1095 . 3 1 1 A 94 94 PRO CA C 94 63.309 62.666 0.643 1
1 1096 . 3 1 1 A 94 94 PRO CB C 94 31.463 31.779 -0.316 1
1 1099 . 3 1 1 A 95 95 SER H H 95 8.722 8.378 0.344 1
1 1100 . 3 1 1 A 95 95 SER HA H 95 4.923 4.890 0.033 1
1 1103 . 3 1 1 A 95 95 SER C C 95 176.215 175.351 0.864 1
1 1104 . 3 1 1 A 95 95 SER CA C 95 58.955 58.157 0.798 1
1 1105 . 3 1 1 A 95 95 SER CB C 95 64.884 64.140 0.744 1
1 1106 . 3 1 1 A 95 95 SER N N 95 122.184 115.175 7.009 1
1 1107 . 3 1 1 A 96 96 ILE H H 96 8.915 8.631 0.284 1
1 1108 . 3 1 1 A 96 96 ILE HA H 96 4.609 4.502 0.107 1
1 1118 . 3 1 1 A 96 96 ILE C C 96 174.546 176.320 -1.774 1
1 1119 . 3 1 1 A 96 96 ILE CA C 96 59.782 61.144 -1.362 1
1 1120 . 3 1 1 A 96 96 ILE CB C 96 40.995 39.838 1.157 1
1 1124 . 3 1 1 A 96 96 ILE N N 96 115.463 119.729 -4.266 1
1 1125 . 3 1 1 A 97 97 GLN H H 97 8.292 7.845 0.447 1
1 1126 . 3 1 1 A 97 97 GLN HA H 97 5.849 4.343 1.506 1
1 1133 . 3 1 1 A 97 97 GLN C C 97 176.173 174.594 1.579 1
1 1134 . 3 1 1 A 97 97 GLN CA C 97 54.361 56.907 -2.546 1
1 1135 . 3 1 1 A 97 97 GLN CB C 97 31.102 26.427 4.675 1
1 1137 . 3 1 1 A 97 97 GLN N N 97 117.686 117.549 0.137 1
1 1139 . 3 1 1 A 98 98 SER H H 98 8.751 7.851 0.900 1
1 1140 . 3 1 1 A 98 98 SER HA H 98 4.618 4.525 0.093 1
1 1143 . 3 1 1 A 98 98 SER C C 98 172.310 173.629 -1.319 1
1 1144 . 3 1 1 A 98 98 SER CA C 98 57.019 58.174 -1.155 1
1 1145 . 3 1 1 A 98 98 SER CB C 98 64.588 63.314 1.274 1
1 1146 . 3 1 1 A 98 98 SER N N 98 115.969 113.416 2.553 1
1 1147 . 3 1 1 A 99 99 ARG H H 99 8.519 8.781 -0.262 1
1 1148 . 3 1 1 A 99 99 ARG HA H 99 5.627 4.939 0.688 1
1 1156 . 3 1 1 A 99 99 ARG C C 99 176.394 175.888 0.506 1
1 1157 . 3 1 1 A 99 99 ARG CA C 99 53.705 56.196 -2.491 1
1 1158 . 3 1 1 A 99 99 ARG CB C 99 32.853 30.810 2.043 1
1 1161 . 3 1 1 A 99 99 ARG N N 99 132.343 129.576 2.767 1
1 1163 . 3 1 1 A 100 100 THR H H 100 8.808 8.188 0.620 1
1 1164 . 3 1 1 A 100 100 THR HA H 100 4.182 4.267 -0.085 1
1 1169 . 3 1 1 A 100 100 THR C C 100 175.465 174.417 1.048 1
1 1170 . 3 1 1 A 100 100 THR CA C 100 61.701 62.606 -0.905 1
1 1171 . 3 1 1 A 100 100 THR CB C 100 69.515 69.817 -0.302 1
1 1173 . 3 1 1 A 100 100 THR N N 100 116.147 118.287 -2.140 1
1 1174 . 3 1 1 A 101 101 MET H H 101 7.254 8.550 -1.296 1
1 1175 . 3 1 1 A 101 101 MET HA H 101 4.504 4.646 -0.142 1
1 1183 . 3 1 1 A 101 101 MET C C 101 174.574 175.442 -0.868 1
1 1184 . 3 1 1 A 101 101 MET CA C 101 54.324 54.025 0.299 1
1 1185 . 3 1 1 A 101 101 MET CB C 101 32.235 32.217 0.018 1
1 1188 . 3 1 1 A 101 101 MET N N 101 117.475 121.271 -3.796 1
1 1189 . 3 1 1 A 102 102 PRO HA H 102 4.647 4.715 -0.068 1
1 1196 . 3 1 1 A 102 102 PRO CA C 102 62.553 62.502 0.051 1
1 1197 . 3 1 1 A 102 102 PRO CB C 102 32.011 30.998 1.013 1
1 1 . 4 1 1 A 6 6 SER HA H 6 4.535 4.909 -0.374 1
1 4 . 4 1 1 A 6 6 SER CA C 6 58.104 57.209 0.895 1
1 5 . 4 1 1 A 6 6 SER CB C 6 64.201 66.895 -2.694 1
1 6 . 4 1 1 A 7 7 GLY H H 7 7.998 8.477 -0.479 1
1 7 . 4 1 1 A 7 7 GLY HA2 H 7 3.978 4.022 -0.044 1
1 8 . 4 1 1 A 7 7 GLY HA3 H 7 3.515 4.048 -0.533 1
1 9 . 4 1 1 A 7 7 GLY CA C 7 44.050 44.637 -0.587 1
1 10 . 4 1 1 A 7 7 GLY N N 7 108.741 109.631 -0.890 1
1 11 . 4 1 1 A 8 8 PRO HA H 8 4.324 4.723 -0.399 1
1 18 . 4 1 1 A 8 8 PRO CA C 8 63.624 62.522 1.102 1
1 19 . 4 1 1 A 8 8 PRO CB C 8 32.235 32.620 -0.385 1
1 22 . 4 1 1 A 9 9 SER H H 9 8.323 8.780 -0.457 1
1 23 . 4 1 1 A 9 9 SER HA H 9 4.512 4.539 -0.027 1
1 26 . 4 1 1 A 9 9 SER C C 9 174.410 174.329 0.081 1
1 27 . 4 1 1 A 9 9 SER CA C 9 57.701 58.435 -0.734 1
1 28 . 4 1 1 A 9 9 SER CB C 9 63.909 64.093 -0.184 1
1 29 . 4 1 1 A 9 9 SER N N 9 115.299 115.677 -0.378 1
1 30 . 4 1 1 A 10 10 GLY H H 10 7.439 7.939 -0.500 1
1 31 . 4 1 1 A 10 10 GLY HA2 H 10 4.383 3.968 0.415 1
1 32 . 4 1 1 A 10 10 GLY HA3 H 10 3.951 3.988 -0.037 1
1 33 . 4 1 1 A 10 10 GLY C C 10 172.743 172.669 0.074 1
1 34 . 4 1 1 A 10 10 GLY CA C 10 43.924 43.998 -0.074 1
1 35 . 4 1 1 A 10 10 GLY N N 10 107.797 108.478 -0.681 1
1 36 . 4 1 1 A 11 11 PHE H H 11 7.534 8.110 -0.576 1
1 37 . 4 1 1 A 11 11 PHE HA H 11 5.519 5.325 0.194 1
1 44 . 4 1 1 A 11 11 PHE C C 11 173.822 173.471 0.351 1
1 45 . 4 1 1 A 11 11 PHE CA C 11 52.513 54.787 -2.274 1
1 46 . 4 1 1 A 11 11 PHE CB C 11 38.744 41.870 -3.126 1
1 51 . 4 1 1 A 11 11 PHE N N 11 115.246 115.847 -0.601 1
1 52 . 4 1 1 A 12 12 PRO HA H 12 4.285 4.731 -0.446 1
1 59 . 4 1 1 A 12 12 PRO C C 12 175.173 175.385 -0.212 1
1 60 . 4 1 1 A 12 12 PRO CA C 12 63.707 62.630 1.077 1
1 61 . 4 1 1 A 12 12 PRO CB C 12 32.344 33.497 -1.153 1
1 64 . 4 1 1 A 13 13 GLN H H 13 7.469 8.571 -1.102 1
1 65 . 4 1 1 A 13 13 GLN HA H 13 4.511 4.799 -0.288 1
1 72 . 4 1 1 A 13 13 GLN C C 13 175.349 175.179 0.170 1
1 73 . 4 1 1 A 13 13 GLN CA C 13 54.572 54.453 0.119 1
1 74 . 4 1 1 A 13 13 GLN CB C 13 32.848 31.552 1.296 1
1 76 . 4 1 1 A 13 13 GLN N N 13 120.555 118.870 1.685 1
1 78 . 4 1 1 A 14 14 ASN H H 14 8.978 8.894 0.084 1
1 79 . 4 1 1 A 14 14 ASN HA H 14 4.424 4.480 -0.056 1
1 84 . 4 1 1 A 14 14 ASN C C 14 174.770 173.985 0.785 1
1 85 . 4 1 1 A 14 14 ASN CA C 14 54.079 54.441 -0.362 1
1 86 . 4 1 1 A 14 14 ASN CB C 14 37.343 37.053 0.290 1
1 87 . 4 1 1 A 14 14 ASN N N 14 114.024 115.982 -1.958 1
1 89 . 4 1 1 A 15 15 LEU H H 15 8.437 8.002 0.435 1
1 90 . 4 1 1 A 15 15 LEU HA H 15 5.062 4.547 0.515 1
1 100 . 4 1 1 A 15 15 LEU C C 15 177.001 175.567 1.434 1
1 101 . 4 1 1 A 15 15 LEU CA C 15 56.667 55.587 1.080 1
1 102 . 4 1 1 A 15 15 LEU CB C 15 41.720 42.773 -1.053 1
1 106 . 4 1 1 A 15 15 LEU N N 15 121.843 121.950 -0.107 1
1 107 . 4 1 1 A 16 16 HIS H H 16 9.492 8.280 1.212 1
1 108 . 4 1 1 A 16 16 HIS HA H 16 4.987 5.192 -0.205 1
1 113 . 4 1 1 A 16 16 HIS C C 16 171.333 171.721 -0.388 1
1 114 . 4 1 1 A 16 16 HIS CA C 16 55.153 54.715 0.438 1
1 115 . 4 1 1 A 16 16 HIS CB C 16 30.515 31.736 -1.221 1
1 118 . 4 1 1 A 16 16 HIS N N 16 121.636 120.979 0.657 1
1 119 . 4 1 1 A 17 17 VAL H H 17 8.606 8.614 -0.008 1
1 120 . 4 1 1 A 17 17 VAL HA H 17 4.663 4.449 0.214 1
1 128 . 4 1 1 A 17 17 VAL C C 17 177.740 175.954 1.786 1
1 129 . 4 1 1 A 17 17 VAL CA C 17 61.771 61.438 0.333 1
1 130 . 4 1 1 A 17 17 VAL CB C 17 33.476 33.826 -0.350 1
1 133 . 4 1 1 A 17 17 VAL N N 17 120.868 119.150 1.718 1
1 134 . 4 1 1 A 18 18 THR H H 18 9.022 8.873 0.149 1
1 135 . 4 1 1 A 18 18 THR HA H 18 4.516 4.438 0.078 1
1 140 . 4 1 1 A 18 18 THR C C 18 174.913 174.477 0.436 1
1 141 . 4 1 1 A 18 18 THR CA C 18 61.472 63.214 -1.742 1
1 142 . 4 1 1 A 18 18 THR CB C 18 68.725 70.394 -1.669 1
1 144 . 4 1 1 A 18 18 THR N N 18 117.096 121.545 -4.449 1
1 145 . 4 1 1 A 19 19 GLY H H 19 7.443 7.317 0.126 1
1 146 . 4 1 1 A 19 19 GLY HA2 H 19 4.177 4.119 0.058 1
1 147 . 4 1 1 A 19 19 GLY HA3 H 19 3.909 4.128 -0.219 1
1 148 . 4 1 1 A 19 19 GLY C C 19 170.720 172.949 -2.229 1
1 149 . 4 1 1 A 19 19 GLY CA C 19 45.877 45.624 0.253 1
1 150 . 4 1 1 A 19 19 GLY N N 19 111.594 108.450 3.144 1
1 151 . 4 1 1 A 20 20 LEU H H 20 8.400 8.425 -0.025 1
1 152 . 4 1 1 A 20 20 LEU HA H 20 4.803 4.409 0.394 1
1 162 . 4 1 1 A 20 20 LEU C C 20 175.350 175.967 -0.617 1
1 163 . 4 1 1 A 20 20 LEU CA C 20 55.557 54.385 1.172 1
1 164 . 4 1 1 A 20 20 LEU CB C 20 46.554 43.361 3.193 1
1 168 . 4 1 1 A 20 20 LEU N N 20 121.661 121.527 0.134 1
1 169 . 4 1 1 A 21 21 THR H H 21 7.720 8.495 -0.775 1
1 170 . 4 1 1 A 21 21 THR HA H 21 4.900 4.681 0.219 1
1 175 . 4 1 1 A 21 21 THR C C 21 174.986 175.105 -0.119 1
1 176 . 4 1 1 A 21 21 THR CA C 21 61.049 61.009 0.040 1
1 177 . 4 1 1 A 21 21 THR CB C 21 71.081 72.642 -1.561 1
1 179 . 4 1 1 A 21 21 THR N N 21 112.043 112.337 -0.294 1
1 180 . 4 1 1 A 22 22 THR H H 22 7.782 8.799 -1.017 1
1 181 . 4 1 1 A 22 22 THR HA H 22 4.657 4.250 0.407 1
1 186 . 4 1 1 A 22 22 THR C C 22 174.110 175.893 -1.783 1
1 187 . 4 1 1 A 22 22 THR CA C 22 63.654 65.651 -1.997 1
1 188 . 4 1 1 A 22 22 THR CB C 22 69.834 68.383 1.451 1
1 190 . 4 1 1 A 22 22 THR N N 22 110.558 119.423 -8.865 1
1 191 . 4 1 1 A 23 23 SER H H 23 7.289 7.716 -0.427 1
1 192 . 4 1 1 A 23 23 SER HA H 23 4.717 4.992 -0.275 1
1 195 . 4 1 1 A 23 23 SER C C 23 173.680 174.577 -0.897 1
1 196 . 4 1 1 A 23 23 SER CA C 23 57.212 58.849 -1.637 1
1 197 . 4 1 1 A 23 23 SER CB C 23 66.012 64.390 1.622 1
1 198 . 4 1 1 A 23 23 SER N N 23 107.116 113.161 -6.045 1
1 199 . 4 1 1 A 24 24 THR H H 24 7.174 7.634 -0.460 1
1 200 . 4 1 1 A 24 24 THR HA H 24 5.377 4.656 0.721 1
1 205 . 4 1 1 A 24 24 THR C C 24 176.427 173.519 2.908 1
1 206 . 4 1 1 A 24 24 THR CA C 24 58.656 60.293 -1.637 1
1 207 . 4 1 1 A 24 24 THR CB C 24 73.018 71.315 1.703 1
1 209 . 4 1 1 A 24 24 THR N N 24 111.053 112.604 -1.551 1
1 210 . 4 1 1 A 25 25 THR H H 25 8.180 8.278 -0.098 1
1 211 . 4 1 1 A 25 25 THR HA H 25 4.608 4.871 -0.263 1
1 216 . 4 1 1 A 25 25 THR C C 25 170.451 173.506 -3.055 1
1 217 . 4 1 1 A 25 25 THR CA C 25 63.619 61.583 2.036 1
1 218 . 4 1 1 A 25 25 THR CB C 25 75.464 71.739 3.725 1
1 220 . 4 1 1 A 25 25 THR N N 25 117.664 115.649 2.015 1
1 221 . 4 1 1 A 26 26 GLU H H 26 9.197 8.666 0.531 1
1 222 . 4 1 1 A 26 26 GLU HA H 26 4.706 4.566 0.140 1
1 227 . 4 1 1 A 26 26 GLU C C 26 174.626 175.506 -0.880 1
1 228 . 4 1 1 A 26 26 GLU CA C 26 55.751 56.943 -1.192 1
1 229 . 4 1 1 A 26 26 GLU CB C 26 30.917 31.040 -0.123 1
1 231 . 4 1 1 A 26 26 GLU N N 26 130.706 126.617 4.089 1
1 232 . 4 1 1 A 27 27 LEU H H 27 9.001 8.333 0.668 1
1 233 . 4 1 1 A 27 27 LEU HA H 27 5.273 5.221 0.052 1
1 243 . 4 1 1 A 27 27 LEU C C 27 176.770 175.580 1.190 1
1 244 . 4 1 1 A 27 27 LEU CA C 27 53.165 53.563 -0.398 1
1 245 . 4 1 1 A 27 27 LEU CB C 27 47.693 47.128 0.565 1
1 249 . 4 1 1 A 27 27 LEU N N 27 124.564 120.732 3.832 1
1 250 . 4 1 1 A 28 28 ALA H H 28 8.640 8.339 0.301 1
1 251 . 4 1 1 A 28 28 ALA HA H 28 4.577 4.682 -0.105 1
1 255 . 4 1 1 A 28 28 ALA C C 28 174.523 175.202 -0.679 1
1 256 . 4 1 1 A 28 28 ALA CA C 28 51.404 51.985 -0.581 1
1 257 . 4 1 1 A 28 28 ALA CB C 28 23.304 20.773 2.531 1
1 258 . 4 1 1 A 28 28 ALA N N 28 122.531 121.425 1.106 1
1 259 . 4 1 1 A 29 29 TRP H H 29 7.581 8.168 -0.587 1
1 260 . 4 1 1 A 29 29 TRP HA H 29 4.868 5.619 -0.751 1
1 269 . 4 1 1 A 29 29 TRP C C 29 172.280 173.417 -1.137 1
1 270 . 4 1 1 A 29 29 TRP CA C 29 56.948 54.388 2.560 1
1 271 . 4 1 1 A 29 29 TRP CB C 29 29.667 32.099 -2.432 1
1 277 . 4 1 1 A 29 29 TRP N N 29 115.551 120.890 -5.339 1
1 279 . 4 1 1 A 30 30 ASP H H 30 9.276 9.375 -0.099 1
1 280 . 4 1 1 A 30 30 ASP HA H 30 5.443 5.080 0.363 1
1 283 . 4 1 1 A 30 30 ASP C C 30 173.846 173.599 0.247 1
1 284 . 4 1 1 A 30 30 ASP CA C 30 51.562 50.929 0.633 1
1 285 . 4 1 1 A 30 30 ASP CB C 30 42.533 42.592 -0.059 1
1 286 . 4 1 1 A 30 30 ASP N N 30 117.265 119.814 -2.549 1
1 287 . 4 1 1 A 31 31 PRO HA H 31 5.105 5.007 0.098 1
1 294 . 4 1 1 A 31 31 PRO CA C 31 61.905 61.514 0.391 1
1 295 . 4 1 1 A 31 31 PRO CB C 31 29.864 31.458 -1.594 1
1 298 . 4 1 1 A 32 32 PRO HA H 32 4.580 4.552 0.028 1
1 305 . 4 1 1 A 32 32 PRO CA C 32 62.036 62.804 -0.768 1
1 306 . 4 1 1 A 32 32 PRO CB C 32 30.840 32.143 -1.303 1
1 309 . 4 1 1 A 33 33 VAL H H 33 8.755 8.192 0.563 1
1 310 . 4 1 1 A 33 33 VAL HA H 33 3.994 4.157 -0.163 1
1 318 . 4 1 1 A 33 33 VAL CA C 33 62.553 62.411 0.142 1
1 319 . 4 1 1 A 33 33 VAL CB C 33 31.763 32.337 -0.574 1
1 322 . 4 1 1 A 33 33 VAL N N 33 120.113 119.502 0.611 1
1 323 . 4 1 1 A 34 34 LEU H H 34 8.469 8.787 -0.318 1
1 324 . 4 1 1 A 34 34 LEU HA H 34 3.768 3.851 -0.083 1
1 334 . 4 1 1 A 34 34 LEU CA C 34 58.809 58.336 0.473 1
1 335 . 4 1 1 A 34 34 LEU CB C 34 42.426 41.650 0.776 1
1 339 . 4 1 1 A 34 34 LEU N N 34 125.095 124.292 0.803 1
1 340 . 4 1 1 A 35 35 ALA H H 35 8.586 7.986 0.600 1
1 341 . 4 1 1 A 35 35 ALA HA H 35 4.171 4.067 0.104 1
1 345 . 4 1 1 A 35 35 ALA CA C 35 53.957 55.246 -1.289 1
1 346 . 4 1 1 A 35 35 ALA CB C 35 19.056 18.503 0.553 1
1 347 . 4 1 1 A 35 35 ALA N N 35 119.010 121.448 -2.438 1
1 348 . 4 1 1 A 36 36 GLU H H 36 8.070 8.059 0.011 1
1 349 . 4 1 1 A 36 36 GLU HA H 36 4.305 4.471 -0.166 1
1 354 . 4 1 1 A 36 36 GLU CA C 36 55.527 56.044 -0.517 1
1 355 . 4 1 1 A 36 36 GLU CB C 36 29.845 29.315 0.530 1
1 357 . 4 1 1 A 36 36 GLU N N 36 115.604 114.642 0.962 1
1 358 . 4 1 1 A 37 37 ARG HA H 37 3.758 4.760 -1.002 1
1 365 . 4 1 1 A 37 37 ARG CA C 37 60.050 54.488 5.562 1
1 366 . 4 1 1 A 37 37 ARG CB C 37 30.804 31.630 -0.826 1
1 369 . 4 1 1 A 37 37 ARG N N 37 122.198 118.685 3.513 1
1 370 . 4 1 1 A 38 38 ASN H H 38 8.093 8.898 -0.805 1
1 371 . 4 1 1 A 38 38 ASN HA H 38 4.291 4.842 -0.551 1
1 376 . 4 1 1 A 38 38 ASN C C 38 174.619 175.049 -0.430 1
1 377 . 4 1 1 A 38 38 ASN CA C 38 53.287 53.000 0.287 1
1 378 . 4 1 1 A 38 38 ASN CB C 38 37.482 36.704 0.778 1
1 379 . 4 1 1 A 38 38 ASN N N 38 109.319 123.407 -14.088 1
1 381 . 4 1 1 A 39 39 GLY H H 39 7.575 7.567 0.008 1
1 382 . 4 1 1 A 39 39 GLY HA2 H 39 4.320 4.161 0.159 1
1 383 . 4 1 1 A 39 39 GLY HA3 H 39 3.697 4.163 -0.466 1
1 384 . 4 1 1 A 39 39 GLY C C 39 172.138 172.263 -0.125 1
1 385 . 4 1 1 A 39 39 GLY CA C 39 43.766 45.008 -1.242 1
1 386 . 4 1 1 A 39 39 GLY N N 39 105.607 107.523 -1.916 1
1 387 . 4 1 1 A 40 40 ARG H H 40 8.180 8.354 -0.174 1
1 388 . 4 1 1 A 40 40 ARG HA H 40 4.333 5.167 -0.834 1
1 395 . 4 1 1 A 40 40 ARG C C 40 176.395 174.664 1.731 1
1 396 . 4 1 1 A 40 40 ARG CA C 40 55.453 54.105 1.348 1
1 397 . 4 1 1 A 40 40 ARG CB C 40 30.999 34.729 -3.730 1
1 400 . 4 1 1 A 40 40 ARG N N 40 119.566 122.753 -3.187 1
1 401 . 4 1 1 A 41 41 ILE H H 41 8.991 8.827 0.164 1
1 402 . 4 1 1 A 41 41 ILE HA H 41 4.256 5.035 -0.779 1
1 412 . 4 1 1 A 41 41 ILE CA C 41 59.279 60.019 -0.740 1
1 413 . 4 1 1 A 41 41 ILE CB C 41 35.329 40.709 -5.380 1
1 417 . 4 1 1 A 41 41 ILE N N 41 127.226 121.089 6.137 1
1 418 . 4 1 1 A 42 42 ILE H H 42 8.721 8.976 -0.255 1
1 419 . 4 1 1 A 42 42 ILE HA H 42 4.475 4.521 -0.046 1
1 429 . 4 1 1 A 42 42 ILE C C 42 175.959 175.870 0.089 1
1 430 . 4 1 1 A 42 42 ILE CA C 42 61.208 61.243 -0.035 1
1 431 . 4 1 1 A 42 42 ILE CB C 42 39.771 39.876 -0.105 1
1 435 . 4 1 1 A 42 42 ILE N N 42 122.018 120.618 1.400 1
1 436 . 4 1 1 A 43 43 SER H H 43 7.425 7.730 -0.305 1
1 437 . 4 1 1 A 43 43 SER HA H 43 4.555 4.960 -0.405 1
1 440 . 4 1 1 A 43 43 SER C C 43 170.232 171.607 -1.375 1
1 441 . 4 1 1 A 43 43 SER CA C 43 58.234 57.616 0.618 1
1 442 . 4 1 1 A 43 43 SER CB C 43 64.287 65.293 -1.006 1
1 443 . 4 1 1 A 43 43 SER N N 43 113.043 113.934 -0.891 1
1 444 . 4 1 1 A 44 44 TYR H H 44 9.297 8.413 0.884 1
1 445 . 4 1 1 A 44 44 TYR HA H 44 5.741 5.693 0.048 1
1 452 . 4 1 1 A 44 44 TYR C C 44 175.735 175.127 0.608 1
1 453 . 4 1 1 A 44 44 TYR CA C 44 57.137 56.600 0.537 1
1 454 . 4 1 1 A 44 44 TYR CB C 44 42.410 43.038 -0.628 1
1 459 . 4 1 1 A 44 44 TYR N N 44 116.157 118.880 -2.723 1
1 460 . 4 1 1 A 45 45 THR H H 45 8.778 8.840 -0.062 1
1 461 . 4 1 1 A 45 45 THR HA H 45 5.094 5.162 -0.068 1
1 466 . 4 1 1 A 45 45 THR C C 45 173.026 173.653 -0.627 1
1 467 . 4 1 1 A 45 45 THR CA C 45 61.853 61.653 0.200 1
1 468 . 4 1 1 A 45 45 THR CB C 45 71.072 69.958 1.114 1
1 470 . 4 1 1 A 45 45 THR N N 45 114.801 116.591 -1.790 1
1 471 . 4 1 1 A 46 46 VAL H H 46 9.145 8.614 0.531 1
1 472 . 4 1 1 A 46 46 VAL HA H 46 4.244 4.467 -0.223 1
1 480 . 4 1 1 A 46 46 VAL C C 46 174.278 175.492 -1.214 1
1 481 . 4 1 1 A 46 46 VAL CA C 46 61.137 62.661 -1.524 1
1 482 . 4 1 1 A 46 46 VAL CB C 46 32.999 30.767 2.232 1
1 485 . 4 1 1 A 46 46 VAL N N 46 127.180 127.822 -0.642 1
1 486 . 4 1 1 A 47 47 VAL H H 47 9.041 8.873 0.168 1
1 487 . 4 1 1 A 47 47 VAL HA H 47 5.004 4.616 0.388 1
1 495 . 4 1 1 A 47 47 VAL C C 47 175.023 175.698 -0.675 1
1 496 . 4 1 1 A 47 47 VAL CA C 47 60.996 61.719 -0.723 1
1 497 . 4 1 1 A 47 47 VAL CB C 47 33.488 31.550 1.938 1
1 500 . 4 1 1 A 47 47 VAL N N 47 128.169 128.548 -0.379 1
1 501 . 4 1 1 A 48 48 PHE H H 48 9.169 9.014 0.155 1
1 502 . 4 1 1 A 48 48 PHE HA H 48 6.209 6.233 -0.024 1
1 510 . 4 1 1 A 48 48 PHE C C 48 173.210 173.490 -0.280 1
1 511 . 4 1 1 A 48 48 PHE CA C 48 54.702 55.009 -0.307 1
1 512 . 4 1 1 A 48 48 PHE CB C 48 43.316 42.792 0.524 1
1 518 . 4 1 1 A 48 48 PHE N N 48 123.753 124.163 -0.410 1
1 519 . 4 1 1 A 49 49 ARG H H 49 8.693 8.756 -0.063 1
1 520 . 4 1 1 A 49 49 ARG HA H 49 4.817 4.726 0.091 1
1 528 . 4 1 1 A 49 49 ARG C C 49 175.280 174.073 1.207 1
1 529 . 4 1 1 A 49 49 ARG CA C 49 54.801 55.346 -0.545 1
1 530 . 4 1 1 A 49 49 ARG CB C 49 35.242 33.877 1.365 1
1 533 . 4 1 1 A 49 49 ARG N N 49 118.793 120.204 -1.411 1
1 535 . 4 1 1 A 50 50 ASP H H 50 8.820 8.798 0.022 1
1 536 . 4 1 1 A 50 50 ASP HA H 50 4.029 4.423 -0.394 1
1 539 . 4 1 1 A 50 50 ASP C C 50 178.592 177.264 1.328 1
1 540 . 4 1 1 A 50 50 ASP CA C 50 53.498 53.990 -0.492 1
1 541 . 4 1 1 A 50 50 ASP CB C 50 40.543 41.164 -0.621 1
1 542 . 4 1 1 A 50 50 ASP N N 50 128.720 125.665 3.055 1
1 543 . 4 1 1 A 51 51 ILE H H 51 8.315 8.395 -0.080 1
1 544 . 4 1 1 A 51 51 ILE HA H 51 3.892 3.838 0.054 1
1 554 . 4 1 1 A 51 51 ILE C C 51 176.905 176.381 0.524 1
1 555 . 4 1 1 A 51 51 ILE CA C 51 64.569 63.194 1.375 1
1 556 . 4 1 1 A 51 51 ILE CB C 51 38.126 37.934 0.192 1
1 560 . 4 1 1 A 51 51 ILE N N 51 124.642 122.250 2.392 1
1 561 . 4 1 1 A 52 52 ASN H H 52 8.677 8.074 0.603 1
1 562 . 4 1 1 A 52 52 ASN HA H 52 4.760 4.767 -0.007 1
1 567 . 4 1 1 A 52 52 ASN C C 52 174.645 174.779 -0.134 1
1 568 . 4 1 1 A 52 52 ASN CA C 52 53.851 53.379 0.472 1
1 569 . 4 1 1 A 52 52 ASN CB C 52 39.032 39.498 -0.466 1
1 570 . 4 1 1 A 52 52 ASN N N 52 119.201 118.919 0.282 1
1 572 . 4 1 1 A 53 53 SER H H 53 8.409 8.189 0.220 1
1 573 . 4 1 1 A 53 53 SER HA H 53 4.663 4.971 -0.308 1
1 576 . 4 1 1 A 53 53 SER C C 53 173.861 173.391 0.470 1
1 577 . 4 1 1 A 53 53 SER CA C 53 56.702 57.611 -0.909 1
1 578 . 4 1 1 A 53 53 SER CB C 53 65.730 66.915 -1.185 1
1 579 . 4 1 1 A 53 53 SER N N 53 116.494 115.064 1.430 1
1 580 . 4 1 1 A 54 54 GLN H H 54 8.489 8.432 0.057 1
1 581 . 4 1 1 A 54 54 GLN HA H 54 4.329 4.646 -0.317 1
1 588 . 4 1 1 A 54 54 GLN C C 54 175.789 174.666 1.123 1
1 589 . 4 1 1 A 54 54 GLN CA C 54 55.857 55.327 0.530 1
1 590 . 4 1 1 A 54 54 GLN CB C 54 28.847 29.150 -0.303 1
1 592 . 4 1 1 A 54 54 GLN N N 54 119.700 120.439 -0.739 1
1 594 . 4 1 1 A 55 55 GLN H H 55 8.108 7.563 0.545 1
1 595 . 4 1 1 A 55 55 GLN HA H 55 4.269 4.779 -0.510 1
1 602 . 4 1 1 A 55 55 GLN C C 55 174.076 174.314 -0.238 1
1 603 . 4 1 1 A 55 55 GLN CA C 55 55.689 54.397 1.292 1
1 604 . 4 1 1 A 55 55 GLN CB C 55 29.352 29.846 -0.494 1
1 606 . 4 1 1 A 55 55 GLN N N 55 120.355 121.356 -1.001 1
1 608 . 4 1 1 A 56 56 GLU H H 56 8.603 8.898 -0.295 1
1 609 . 4 1 1 A 56 56 GLU HA H 56 4.372 4.639 -0.267 1
1 614 . 4 1 1 A 56 56 GLU C C 56 175.058 175.494 -0.436 1
1 615 . 4 1 1 A 56 56 GLU CA C 56 55.594 56.531 -0.937 1
1 616 . 4 1 1 A 56 56 GLU CB C 56 31.640 30.649 0.991 1
1 618 . 4 1 1 A 56 56 GLU N N 56 126.250 128.785 -2.535 1
1 619 . 4 1 1 A 57 57 LEU H H 57 8.520 8.107 0.413 1
1 620 . 4 1 1 A 57 57 LEU HA H 57 4.458 4.760 -0.302 1
1 630 . 4 1 1 A 57 57 LEU C C 57 174.850 174.520 0.330 1
1 631 . 4 1 1 A 57 57 LEU CA C 57 53.780 53.195 0.585 1
1 632 . 4 1 1 A 57 57 LEU CB C 57 43.903 46.275 -2.372 1
1 636 . 4 1 1 A 57 57 LEU N N 57 127.205 126.011 1.194 1
1 637 . 4 1 1 A 58 58 GLN H H 58 7.992 8.655 -0.663 1
1 638 . 4 1 1 A 58 58 GLN HA H 58 5.865 5.537 0.328 1
1 645 . 4 1 1 A 58 58 GLN C C 58 175.948 173.563 2.385 1
1 646 . 4 1 1 A 58 58 GLN CA C 58 53.944 54.455 -0.511 1
1 647 . 4 1 1 A 58 58 GLN CB C 58 32.786 32.708 0.078 1
1 649 . 4 1 1 A 58 58 GLN N N 58 113.562 118.055 -4.493 1
1 651 . 4 1 1 A 59 59 ASN H H 59 9.073 8.965 0.108 1
1 652 . 4 1 1 A 59 59 ASN HA H 59 5.068 5.367 -0.299 1
1 657 . 4 1 1 A 59 59 ASN C C 59 172.790 174.049 -1.259 1
1 658 . 4 1 1 A 59 59 ASN CA C 59 53.023 51.828 1.195 1
1 659 . 4 1 1 A 59 59 ASN CB C 59 45.541 42.715 2.826 1
1 660 . 4 1 1 A 59 59 ASN N N 59 119.984 117.066 2.918 1
1 662 . 4 1 1 A 60 60 ILE H H 60 8.491 8.368 0.123 1
1 663 . 4 1 1 A 60 60 ILE HA H 60 5.147 5.116 0.031 1
1 673 . 4 1 1 A 60 60 ILE C C 60 175.088 174.583 0.505 1
1 674 . 4 1 1 A 60 60 ILE CA C 60 59.853 60.091 -0.238 1
1 675 . 4 1 1 A 60 60 ILE CB C 60 40.891 41.163 -0.272 1
1 679 . 4 1 1 A 60 60 ILE N N 60 119.480 120.608 -1.128 1
1 680 . 4 1 1 A 61 61 THR H H 61 8.755 8.377 0.378 1
1 681 . 4 1 1 A 61 61 THR HA H 61 4.976 5.174 -0.198 1
1 686 . 4 1 1 A 61 61 THR C C 61 172.097 173.491 -1.394 1
1 687 . 4 1 1 A 61 61 THR CA C 61 59.905 60.329 -0.424 1
1 688 . 4 1 1 A 61 61 THR CB C 61 69.505 71.321 -1.816 1
1 690 . 4 1 1 A 61 61 THR N N 61 118.083 119.215 -1.132 1
1 691 . 4 1 1 A 62 62 THR H H 62 8.325 8.521 -0.196 1
1 692 . 4 1 1 A 62 62 THR HA H 62 4.641 4.553 0.088 1
1 697 . 4 1 1 A 62 62 THR C C 62 174.386 173.116 1.270 1
1 698 . 4 1 1 A 62 62 THR CA C 62 62.440 62.140 0.300 1
1 699 . 4 1 1 A 62 62 THR CB C 62 69.355 68.709 0.646 1
1 701 . 4 1 1 A 62 62 THR N N 62 115.077 117.422 -2.345 1
1 702 . 4 1 1 A 63 63 ASP H H 63 8.611 7.680 0.931 1
1 703 . 4 1 1 A 63 63 ASP HA H 63 4.962 5.096 -0.134 1
1 706 . 4 1 1 A 63 63 ASP C C 63 172.906 176.487 -3.581 1
1 707 . 4 1 1 A 63 63 ASP CA C 63 52.981 53.102 -0.121 1
1 708 . 4 1 1 A 63 63 ASP CB C 63 43.465 44.858 -1.393 1
1 709 . 4 1 1 A 63 63 ASP N N 63 125.713 121.232 4.481 1
1 710 . 4 1 1 A 64 64 THR H H 64 7.925 8.324 -0.399 1
1 711 . 4 1 1 A 64 64 THR HA H 64 3.088 3.672 -0.584 1
1 716 . 4 1 1 A 64 64 THR C C 64 172.176 171.921 0.255 1
1 717 . 4 1 1 A 64 64 THR CA C 64 59.078 61.333 -2.255 1
1 718 . 4 1 1 A 64 64 THR CB C 64 66.137 68.159 -2.022 1
1 720 . 4 1 1 A 64 64 THR N N 64 104.287 112.478 -8.191 1
1 721 . 4 1 1 A 65 65 ARG H H 65 6.387 7.299 -0.912 1
1 722 . 4 1 1 A 65 65 ARG HA H 65 4.221 3.830 0.391 1
1 729 . 4 1 1 A 65 65 ARG C C 65 174.862 174.344 0.518 1
1 730 . 4 1 1 A 65 65 ARG CA C 65 54.132 53.537 0.595 1
1 731 . 4 1 1 A 65 65 ARG CB C 65 32.928 33.712 -0.784 1
1 734 . 4 1 1 A 65 65 ARG N N 65 115.062 118.453 -3.391 1
1 735 . 4 1 1 A 66 66 PHE H H 66 8.177 8.962 -0.785 1
1 736 . 4 1 1 A 66 66 PHE HA H 66 4.373 4.916 -0.543 1
1 744 . 4 1 1 A 66 66 PHE C C 66 172.804 172.963 -0.159 1
1 745 . 4 1 1 A 66 66 PHE CA C 66 59.536 58.242 1.294 1
1 746 . 4 1 1 A 66 66 PHE CB C 66 44.469 41.770 2.699 1
1 752 . 4 1 1 A 66 66 PHE N N 66 119.991 119.341 0.650 1
1 753 . 4 1 1 A 67 67 THR H H 67 7.332 7.536 -0.204 1
1 754 . 4 1 1 A 67 67 THR HA H 67 4.628 5.200 -0.572 1
1 759 . 4 1 1 A 67 67 THR C C 67 172.910 174.051 -1.141 1
1 760 . 4 1 1 A 67 67 THR CA C 67 61.261 61.088 0.173 1
1 761 . 4 1 1 A 67 67 THR CB C 67 69.260 71.259 -1.999 1
1 763 . 4 1 1 A 67 67 THR N N 67 123.294 118.425 4.869 1
1 764 . 4 1 1 A 68 68 LEU H H 68 8.776 9.166 -0.390 1
1 765 . 4 1 1 A 68 68 LEU HA H 68 4.192 4.289 -0.097 1
1 775 . 4 1 1 A 68 68 LEU C C 68 176.337 175.848 0.489 1
1 776 . 4 1 1 A 68 68 LEU CA C 68 54.394 54.729 -0.335 1
1 777 . 4 1 1 A 68 68 LEU CB C 68 42.394 42.148 0.246 1
1 781 . 4 1 1 A 68 68 LEU N N 68 126.969 127.818 -0.849 1
1 782 . 4 1 1 A 69 69 THR H H 69 7.921 8.247 -0.326 1
1 783 . 4 1 1 A 69 69 THR HA H 69 4.814 4.670 0.144 1
1 788 . 4 1 1 A 69 69 THR C C 69 173.856 173.535 0.321 1
1 789 . 4 1 1 A 69 69 THR CA C 69 59.694 60.613 -0.919 1
1 790 . 4 1 1 A 69 69 THR CB C 69 71.829 71.502 0.327 1
1 792 . 4 1 1 A 69 69 THR N N 69 111.246 111.264 -0.018 1
1 793 . 4 1 1 A 70 70 GLY H H 70 8.894 8.647 0.247 1
1 794 . 4 1 1 A 70 70 GLY HA2 H 70 3.930 3.862 0.068 1
1 795 . 4 1 1 A 70 70 GLY HA3 H 70 3.809 3.887 -0.078 1
1 796 . 4 1 1 A 70 70 GLY C C 70 175.589 174.345 1.244 1
1 797 . 4 1 1 A 70 70 GLY CA C 70 46.178 46.914 -0.736 1
1 798 . 4 1 1 A 70 70 GLY N N 70 107.415 112.146 -4.731 1
1 799 . 4 1 1 A 71 71 LEU H H 71 8.341 7.527 0.814 1
1 800 . 4 1 1 A 71 71 LEU HA H 71 4.195 4.793 -0.598 1
1 810 . 4 1 1 A 71 71 LEU C C 71 175.422 175.013 0.409 1
1 811 . 4 1 1 A 71 71 LEU CA C 71 53.429 52.943 0.486 1
1 812 . 4 1 1 A 71 71 LEU CB C 71 40.650 43.767 -3.117 1
1 816 . 4 1 1 A 71 71 LEU N N 71 118.621 120.192 -1.571 1
1 817 . 4 1 1 A 72 72 LYS H H 72 8.298 9.365 -1.067 1
1 818 . 4 1 1 A 72 72 LYS HA H 72 4.631 4.640 -0.009 1
1 827 . 4 1 1 A 72 72 LYS C C 72 174.599 175.449 -0.850 1
1 828 . 4 1 1 A 72 72 LYS CA C 72 53.851 54.043 -0.192 1
1 829 . 4 1 1 A 72 72 LYS CB C 72 33.619 33.935 -0.316 1
1 833 . 4 1 1 A 72 72 LYS N N 72 121.340 122.348 -1.008 1
1 834 . 4 1 1 A 73 73 PRO HA H 73 5.086 4.719 0.367 1
1 841 . 4 1 1 A 73 73 PRO C C 73 178.198 177.245 0.953 1
1 842 . 4 1 1 A 73 73 PRO CA C 73 62.897 63.523 -0.626 1
1 843 . 4 1 1 A 73 73 PRO CB C 73 33.198 32.115 1.083 1
1 846 . 4 1 1 A 74 74 ASP H H 74 7.537 9.018 -1.481 1
1 847 . 4 1 1 A 74 74 ASP HA H 74 4.290 4.277 0.013 1
1 850 . 4 1 1 A 74 74 ASP C C 74 174.390 174.717 -0.327 1
1 851 . 4 1 1 A 74 74 ASP CA C 74 54.343 55.132 -0.789 1
1 852 . 4 1 1 A 74 74 ASP CB C 74 41.393 39.748 1.645 1
1 853 . 4 1 1 A 74 74 ASP N N 74 126.834 121.641 5.193 1
1 854 . 4 1 1 A 75 75 THR H H 75 8.197 7.240 0.957 1
1 855 . 4 1 1 A 75 75 THR HA H 75 4.316 4.915 -0.599 1
1 860 . 4 1 1 A 75 75 THR C C 75 172.076 173.510 -1.434 1
1 861 . 4 1 1 A 75 75 THR CA C 75 63.087 61.235 1.852 1
1 862 . 4 1 1 A 75 75 THR CB C 75 71.822 72.490 -0.668 1
1 864 . 4 1 1 A 75 75 THR N N 75 113.905 112.338 1.567 1
1 865 . 4 1 1 A 76 76 THR H H 76 8.606 8.826 -0.220 1
1 866 . 4 1 1 A 76 76 THR HA H 76 4.641 4.457 0.184 1
1 871 . 4 1 1 A 76 76 THR C C 76 172.308 174.048 -1.740 1
1 872 . 4 1 1 A 76 76 THR CA C 76 63.197 63.516 -0.319 1
1 873 . 4 1 1 A 76 76 THR CB C 76 68.333 69.355 -1.022 1
1 875 . 4 1 1 A 76 76 THR N N 76 124.170 121.224 2.946 1
1 876 . 4 1 1 A 77 77 TYR H H 77 9.230 8.906 0.324 1
1 877 . 4 1 1 A 77 77 TYR HA H 77 5.084 5.046 0.038 1
1 884 . 4 1 1 A 77 77 TYR C C 77 174.065 174.389 -0.324 1
1 885 . 4 1 1 A 77 77 TYR CA C 77 57.443 56.402 1.041 1
1 886 . 4 1 1 A 77 77 TYR CB C 77 41.115 40.118 0.997 1
1 891 . 4 1 1 A 77 77 TYR N N 77 125.729 125.616 0.113 1
1 892 . 4 1 1 A 78 78 ASP H H 78 9.222 9.331 -0.109 1
1 893 . 4 1 1 A 78 78 ASP HA H 78 5.288 4.986 0.302 1
1 896 . 4 1 1 A 78 78 ASP C C 78 176.268 174.821 1.447 1
1 897 . 4 1 1 A 78 78 ASP CA C 78 53.565 54.483 -0.918 1
1 898 . 4 1 1 A 78 78 ASP CB C 78 44.874 41.054 3.820 1
1 899 . 4 1 1 A 78 78 ASP N N 78 124.016 125.687 -1.671 1
1 900 . 4 1 1 A 79 79 ILE H H 79 9.210 8.961 0.249 1
1 901 . 4 1 1 A 79 79 ILE HA H 79 5.027 5.375 -0.348 1
1 911 . 4 1 1 A 79 79 ILE C C 79 172.968 174.940 -1.972 1
1 912 . 4 1 1 A 79 79 ILE CA C 79 61.102 60.140 0.962 1
1 913 . 4 1 1 A 79 79 ILE CB C 79 41.830 40.306 1.524 1
1 917 . 4 1 1 A 79 79 ILE N N 79 127.527 127.539 -0.012 1
1 918 . 4 1 1 A 80 80 LYS H H 80 8.930 9.331 -0.401 1
1 919 . 4 1 1 A 80 80 LYS HA H 80 4.282 5.143 -0.861 1
1 928 . 4 1 1 A 80 80 LYS C C 80 173.716 174.310 -0.594 1
1 929 . 4 1 1 A 80 80 LYS CA C 80 54.749 54.063 0.686 1
1 930 . 4 1 1 A 80 80 LYS CB C 80 37.864 36.730 1.134 1
1 934 . 4 1 1 A 80 80 LYS N N 80 122.620 124.654 -2.034 1
1 935 . 4 1 1 A 81 81 VAL H H 81 8.070 8.756 -0.686 1
1 936 . 4 1 1 A 81 81 VAL HA H 81 5.365 4.784 0.581 1
1 944 . 4 1 1 A 81 81 VAL C C 81 174.099 173.626 0.473 1
1 945 . 4 1 1 A 81 81 VAL CA C 81 59.228 59.502 -0.274 1
1 946 . 4 1 1 A 81 81 VAL CB C 81 36.108 34.946 1.162 1
1 949 . 4 1 1 A 81 81 VAL N N 81 115.045 118.824 -3.779 1
1 950 . 4 1 1 A 82 82 ARG H H 82 8.733 8.810 -0.077 1
1 951 . 4 1 1 A 82 82 ARG HA H 82 4.984 5.044 -0.060 1
1 959 . 4 1 1 A 82 82 ARG C C 82 172.874 174.483 -1.609 1
1 960 . 4 1 1 A 82 82 ARG CA C 82 53.552 54.529 -0.977 1
1 961 . 4 1 1 A 82 82 ARG CB C 82 34.521 33.846 0.675 1
1 964 . 4 1 1 A 82 82 ARG N N 82 122.032 125.111 -3.079 1
1 966 . 4 1 1 A 83 83 ALA H H 83 9.221 8.635 0.586 1
1 967 . 4 1 1 A 83 83 ALA HA H 83 5.132 3.839 1.293 1
1 971 . 4 1 1 A 83 83 ALA C C 83 174.998 176.927 -1.929 1
1 972 . 4 1 1 A 83 83 ALA CA C 83 50.383 51.960 -1.577 1
1 973 . 4 1 1 A 83 83 ALA CB C 83 23.472 19.622 3.850 1
1 974 . 4 1 1 A 83 83 ALA N N 83 124.044 126.073 -2.029 1
1 975 . 4 1 1 A 84 84 TRP H H 84 8.387 8.793 -0.406 1
1 976 . 4 1 1 A 84 84 TRP HA H 84 5.020 5.320 -0.300 1
1 985 . 4 1 1 A 84 84 TRP C C 84 177.430 175.558 1.872 1
1 986 . 4 1 1 A 84 84 TRP CA C 84 56.807 56.238 0.569 1
1 987 . 4 1 1 A 84 84 TRP CB C 84 31.235 33.010 -1.775 1
1 993 . 4 1 1 A 84 84 TRP N N 84 117.779 120.395 -2.616 1
1 995 . 4 1 1 A 85 85 THR H H 85 8.698 8.776 -0.078 1
1 996 . 4 1 1 A 85 85 THR HA H 85 5.190 5.097 0.093 1
1 1001 . 4 1 1 A 85 85 THR C C 85 176.429 175.666 0.763 1
1 1002 . 4 1 1 A 85 85 THR CA C 85 59.958 59.883 0.075 1
1 1003 . 4 1 1 A 85 85 THR CB C 85 72.646 71.982 0.664 1
1 1005 . 4 1 1 A 85 85 THR N N 85 111.404 114.088 -2.684 1
1 1006 . 4 1 1 A 86 86 SER H H 86 9.765 9.253 0.512 1
1 1007 . 4 1 1 A 86 86 SER HA H 86 4.242 4.152 0.090 1
1 1010 . 4 1 1 A 86 86 SER C C 86 174.834 176.374 -1.540 1
1 1011 . 4 1 1 A 86 86 SER CA C 86 61.014 61.164 -0.150 1
1 1012 . 4 1 1 A 86 86 SER CB C 86 62.807 62.776 0.031 1
1 1013 . 4 1 1 A 86 86 SER N N 86 115.745 117.747 -2.002 1
1 1014 . 4 1 1 A 87 87 LYS H H 87 7.947 7.863 0.084 1
1 1015 . 4 1 1 A 87 87 LYS HA H 87 4.426 4.242 0.184 1
1 1024 . 4 1 1 A 87 87 LYS C C 87 176.373 177.130 -0.757 1
1 1025 . 4 1 1 A 87 87 LYS CA C 87 55.857 58.946 -3.089 1
1 1026 . 4 1 1 A 87 87 LYS CB C 87 33.386 33.023 0.363 1
1 1030 . 4 1 1 A 87 87 LYS N N 87 118.254 119.039 -0.785 1
1 1031 . 4 1 1 A 88 88 GLY H H 88 7.400 7.012 0.388 1
1 1032 . 4 1 1 A 88 88 GLY HA2 H 88 4.446 4.165 0.281 1
1 1033 . 4 1 1 A 88 88 GLY HA3 H 88 3.990 4.302 -0.312 1
1 1034 . 4 1 1 A 88 88 GLY C C 88 171.366 171.564 -0.198 1
1 1035 . 4 1 1 A 88 88 GLY CA C 88 45.006 46.209 -1.203 1
1 1036 . 4 1 1 A 88 88 GLY N N 88 106.086 104.127 1.959 1
1 1037 . 4 1 1 A 89 89 SER H H 89 8.048 8.280 -0.232 1
1 1038 . 4 1 1 A 89 89 SER HA H 89 3.899 4.500 -0.601 1
1 1041 . 4 1 1 A 89 89 SER CA C 89 56.522 55.247 1.275 1
1 1042 . 4 1 1 A 89 89 SER CB C 89 63.965 64.551 -0.586 1
1 1043 . 4 1 1 A 89 89 SER N N 89 113.549 116.341 -2.792 1
1 1044 . 4 1 1 A 90 90 GLY H H 90 8.282 7.797 0.485 1
1 1045 . 4 1 1 A 90 90 GLY HA2 H 90 4.637 4.015 0.622 1
1 1046 . 4 1 1 A 90 90 GLY HA3 H 90 3.696 4.024 -0.328 1
1 1047 . 4 1 1 A 90 90 GLY CA C 90 44.399 44.637 -0.238 1
1 1048 . 4 1 1 A 90 90 GLY N N 90 109.030 109.793 -0.763 1
1 1049 . 4 1 1 A 91 91 PRO HA H 91 4.448 4.536 -0.088 1
1 1056 . 4 1 1 A 91 91 PRO C C 91 177.760 175.178 2.582 1
1 1057 . 4 1 1 A 91 91 PRO CA C 91 62.229 62.434 -0.205 1
1 1058 . 4 1 1 A 91 91 PRO CB C 91 32.367 33.371 -1.004 1
1 1061 . 4 1 1 A 92 92 LEU H H 92 8.373 8.263 0.110 1
1 1062 . 4 1 1 A 92 92 LEU HA H 92 4.110 4.754 -0.644 1
1 1072 . 4 1 1 A 92 92 LEU C C 92 176.841 176.400 0.441 1
1 1073 . 4 1 1 A 92 92 LEU CA C 92 55.163 53.434 1.729 1
1 1074 . 4 1 1 A 92 92 LEU CB C 92 43.188 44.099 -0.911 1
1 1078 . 4 1 1 A 92 92 LEU N N 92 121.096 121.713 -0.617 1
1 1079 . 4 1 1 A 93 93 SER H H 93 8.629 9.171 -0.542 1
1 1080 . 4 1 1 A 93 93 SER HA H 93 3.683 4.238 -0.555 1
1 1083 . 4 1 1 A 93 93 SER C C 93 171.637 173.703 -2.066 1
1 1084 . 4 1 1 A 93 93 SER CA C 93 56.900 56.904 -0.004 1
1 1085 . 4 1 1 A 93 93 SER CB C 93 62.923 62.787 0.136 1
1 1086 . 4 1 1 A 93 93 SER N N 93 116.072 121.054 -4.982 1
1 1087 . 4 1 1 A 94 94 PRO HA H 94 4.330 4.506 -0.176 1
1 1094 . 4 1 1 A 94 94 PRO C C 94 178.093 176.833 1.260 1
1 1095 . 4 1 1 A 94 94 PRO CA C 94 63.309 62.632 0.677 1
1 1096 . 4 1 1 A 94 94 PRO CB C 94 31.463 31.677 -0.214 1
1 1099 . 4 1 1 A 95 95 SER H H 95 8.722 8.479 0.243 1
1 1100 . 4 1 1 A 95 95 SER HA H 95 4.923 4.693 0.230 1
1 1103 . 4 1 1 A 95 95 SER C C 95 176.215 175.153 1.062 1
1 1104 . 4 1 1 A 95 95 SER CA C 95 58.955 58.772 0.183 1
1 1105 . 4 1 1 A 95 95 SER CB C 95 64.884 63.817 1.067 1
1 1106 . 4 1 1 A 95 95 SER N N 95 122.184 117.608 4.576 1
1 1107 . 4 1 1 A 96 96 ILE H H 96 8.915 8.477 0.438 1
1 1108 . 4 1 1 A 96 96 ILE HA H 96 4.609 4.524 0.085 1
1 1118 . 4 1 1 A 96 96 ILE C C 96 174.546 176.288 -1.742 1
1 1119 . 4 1 1 A 96 96 ILE CA C 96 59.782 61.136 -1.354 1
1 1120 . 4 1 1 A 96 96 ILE CB C 96 40.995 39.993 1.002 1
1 1124 . 4 1 1 A 96 96 ILE N N 96 115.463 123.230 -7.767 1
1 1125 . 4 1 1 A 97 97 GLN H H 97 8.292 7.352 0.940 1
1 1126 . 4 1 1 A 97 97 GLN HA H 97 5.849 3.908 1.941 1
1 1133 . 4 1 1 A 97 97 GLN C C 97 176.173 174.479 1.694 1
1 1134 . 4 1 1 A 97 97 GLN CA C 97 54.361 56.950 -2.589 1
1 1135 . 4 1 1 A 97 97 GLN CB C 97 31.102 26.445 4.657 1
1 1137 . 4 1 1 A 97 97 GLN N N 97 117.686 118.033 -0.347 1
1 1139 . 4 1 1 A 98 98 SER H H 98 8.751 7.369 1.382 1
1 1140 . 4 1 1 A 98 98 SER HA H 98 4.618 4.627 -0.009 1
1 1143 . 4 1 1 A 98 98 SER C C 98 172.310 173.558 -1.248 1
1 1144 . 4 1 1 A 98 98 SER CA C 98 57.019 57.629 -0.610 1
1 1145 . 4 1 1 A 98 98 SER CB C 98 64.588 63.337 1.251 1
1 1146 . 4 1 1 A 98 98 SER N N 98 115.969 113.344 2.625 1
1 1147 . 4 1 1 A 99 99 ARG H H 99 8.519 8.762 -0.243 1
1 1148 . 4 1 1 A 99 99 ARG HA H 99 5.627 5.133 0.494 1
1 1156 . 4 1 1 A 99 99 ARG C C 99 176.394 175.912 0.482 1
1 1157 . 4 1 1 A 99 99 ARG CA C 99 53.705 56.199 -2.494 1
1 1158 . 4 1 1 A 99 99 ARG CB C 99 32.853 30.968 1.885 1
1 1161 . 4 1 1 A 99 99 ARG N N 99 132.343 129.312 3.031 1
1 1163 . 4 1 1 A 100 100 THR H H 100 8.808 8.265 0.543 1
1 1164 . 4 1 1 A 100 100 THR HA H 100 4.182 4.296 -0.114 1
1 1169 . 4 1 1 A 100 100 THR C C 100 175.465 174.451 1.014 1
1 1170 . 4 1 1 A 100 100 THR CA C 100 61.701 62.530 -0.829 1
1 1171 . 4 1 1 A 100 100 THR CB C 100 69.515 70.039 -0.524 1
1 1173 . 4 1 1 A 100 100 THR N N 100 116.147 118.461 -2.314 1
1 1174 . 4 1 1 A 101 101 MET H H 101 7.254 8.470 -1.216 1
1 1175 . 4 1 1 A 101 101 MET HA H 101 4.504 4.696 -0.192 1
1 1183 . 4 1 1 A 101 101 MET C C 101 174.574 175.288 -0.714 1
1 1184 . 4 1 1 A 101 101 MET CA C 101 54.324 54.029 0.295 1
1 1185 . 4 1 1 A 101 101 MET CB C 101 32.235 32.461 -0.226 1
1 1188 . 4 1 1 A 101 101 MET N N 101 117.475 120.422 -2.947 1
1 1189 . 4 1 1 A 102 102 PRO HA H 102 4.647 4.718 -0.071 1
1 1196 . 4 1 1 A 102 102 PRO CA C 102 62.553 62.603 -0.050 1
1 1197 . 4 1 1 A 102 102 PRO CB C 102 32.011 31.476 0.535 1
1 1 . 5 1 1 A 6 6 SER HA H 6 4.535 4.634 -0.099 1
1 4 . 5 1 1 A 6 6 SER CA C 6 58.104 60.253 -2.149 1
1 5 . 5 1 1 A 6 6 SER CB C 6 64.201 64.628 -0.427 1
1 6 . 5 1 1 A 7 7 GLY H H 7 7.998 7.714 0.284 1
1 7 . 5 1 1 A 7 7 GLY HA2 H 7 3.978 3.968 0.010 1
1 8 . 5 1 1 A 7 7 GLY HA3 H 7 3.515 4.028 -0.513 1
1 9 . 5 1 1 A 7 7 GLY CA C 7 44.050 44.207 -0.157 1
1 10 . 5 1 1 A 7 7 GLY N N 7 108.741 109.411 -0.670 1
1 11 . 5 1 1 A 8 8 PRO HA H 8 4.324 4.554 -0.230 1
1 18 . 5 1 1 A 8 8 PRO CA C 8 63.624 62.735 0.889 1
1 19 . 5 1 1 A 8 8 PRO CB C 8 32.235 32.887 -0.652 1
1 22 . 5 1 1 A 9 9 SER H H 9 8.323 8.662 -0.339 1
1 23 . 5 1 1 A 9 9 SER HA H 9 4.512 4.642 -0.130 1
1 26 . 5 1 1 A 9 9 SER C C 9 174.410 174.026 0.384 1
1 27 . 5 1 1 A 9 9 SER CA C 9 57.701 57.439 0.262 1
1 28 . 5 1 1 A 9 9 SER CB C 9 63.909 64.442 -0.533 1
1 29 . 5 1 1 A 9 9 SER N N 9 115.299 115.836 -0.537 1
1 30 . 5 1 1 A 10 10 GLY H H 10 7.439 8.007 -0.568 1
1 31 . 5 1 1 A 10 10 GLY HA2 H 10 4.383 4.006 0.377 1
1 32 . 5 1 1 A 10 10 GLY HA3 H 10 3.951 4.028 -0.077 1
1 33 . 5 1 1 A 10 10 GLY C C 10 172.743 172.638 0.105 1
1 34 . 5 1 1 A 10 10 GLY CA C 10 43.924 44.036 -0.112 1
1 35 . 5 1 1 A 10 10 GLY N N 10 107.797 109.754 -1.957 1
1 36 . 5 1 1 A 11 11 PHE H H 11 7.534 7.997 -0.463 1
1 37 . 5 1 1 A 11 11 PHE HA H 11 5.519 5.449 0.070 1
1 44 . 5 1 1 A 11 11 PHE C C 11 173.822 173.447 0.375 1
1 45 . 5 1 1 A 11 11 PHE CA C 11 52.513 54.904 -2.391 1
1 46 . 5 1 1 A 11 11 PHE CB C 11 38.744 41.984 -3.240 1
1 51 . 5 1 1 A 11 11 PHE N N 11 115.246 116.101 -0.855 1
1 52 . 5 1 1 A 12 12 PRO HA H 12 4.285 4.722 -0.437 1
1 59 . 5 1 1 A 12 12 PRO C C 12 175.173 175.519 -0.346 1
1 60 . 5 1 1 A 12 12 PRO CA C 12 63.707 62.788 0.919 1
1 61 . 5 1 1 A 12 12 PRO CB C 12 32.344 33.165 -0.821 1
1 64 . 5 1 1 A 13 13 GLN H H 13 7.469 8.670 -1.201 1
1 65 . 5 1 1 A 13 13 GLN HA H 13 4.511 4.826 -0.315 1
1 72 . 5 1 1 A 13 13 GLN C C 13 175.349 175.300 0.049 1
1 73 . 5 1 1 A 13 13 GLN CA C 13 54.572 54.559 0.013 1
1 74 . 5 1 1 A 13 13 GLN CB C 13 32.848 31.540 1.308 1
1 76 . 5 1 1 A 13 13 GLN N N 13 120.555 119.337 1.218 1
1 78 . 5 1 1 A 14 14 ASN H H 14 8.978 8.910 0.068 1
1 79 . 5 1 1 A 14 14 ASN HA H 14 4.424 4.484 -0.060 1
1 84 . 5 1 1 A 14 14 ASN C C 14 174.770 173.944 0.826 1
1 85 . 5 1 1 A 14 14 ASN CA C 14 54.079 54.325 -0.246 1
1 86 . 5 1 1 A 14 14 ASN CB C 14 37.343 36.879 0.464 1
1 87 . 5 1 1 A 14 14 ASN N N 14 114.024 116.226 -2.202 1
1 89 . 5 1 1 A 15 15 LEU H H 15 8.437 8.013 0.424 1
1 90 . 5 1 1 A 15 15 LEU HA H 15 5.062 4.573 0.489 1
1 100 . 5 1 1 A 15 15 LEU C C 15 177.001 175.606 1.395 1
1 101 . 5 1 1 A 15 15 LEU CA C 15 56.667 55.464 1.203 1
1 102 . 5 1 1 A 15 15 LEU CB C 15 41.720 42.755 -1.035 1
1 106 . 5 1 1 A 15 15 LEU N N 15 121.843 121.914 -0.071 1
1 107 . 5 1 1 A 16 16 HIS H H 16 9.492 8.305 1.187 1
1 108 . 5 1 1 A 16 16 HIS HA H 16 4.987 5.216 -0.229 1
1 113 . 5 1 1 A 16 16 HIS C C 16 171.333 171.660 -0.327 1
1 114 . 5 1 1 A 16 16 HIS CA C 16 55.153 54.785 0.368 1
1 115 . 5 1 1 A 16 16 HIS CB C 16 30.515 31.671 -1.156 1
1 118 . 5 1 1 A 16 16 HIS N N 16 121.636 120.959 0.677 1
1 119 . 5 1 1 A 17 17 VAL H H 17 8.606 8.702 -0.096 1
1 120 . 5 1 1 A 17 17 VAL HA H 17 4.663 4.402 0.261 1
1 128 . 5 1 1 A 17 17 VAL C C 17 177.740 176.137 1.603 1
1 129 . 5 1 1 A 17 17 VAL CA C 17 61.771 61.608 0.163 1
1 130 . 5 1 1 A 17 17 VAL CB C 17 33.476 33.600 -0.124 1
1 133 . 5 1 1 A 17 17 VAL N N 17 120.868 119.047 1.821 1
1 134 . 5 1 1 A 18 18 THR H H 18 9.022 8.860 0.162 1
1 135 . 5 1 1 A 18 18 THR HA H 18 4.516 4.439 0.077 1
1 140 . 5 1 1 A 18 18 THR C C 18 174.913 174.725 0.188 1
1 141 . 5 1 1 A 18 18 THR CA C 18 61.472 63.557 -2.085 1
1 142 . 5 1 1 A 18 18 THR CB C 18 68.725 70.007 -1.282 1
1 144 . 5 1 1 A 18 18 THR N N 18 117.096 122.009 -4.913 1
1 145 . 5 1 1 A 19 19 GLY H H 19 7.443 7.372 0.071 1
1 146 . 5 1 1 A 19 19 GLY HA2 H 19 4.177 4.034 0.143 1
1 147 . 5 1 1 A 19 19 GLY HA3 H 19 3.909 4.042 -0.133 1
1 148 . 5 1 1 A 19 19 GLY C C 19 170.720 172.943 -2.223 1
1 149 . 5 1 1 A 19 19 GLY CA C 19 45.877 45.638 0.239 1
1 150 . 5 1 1 A 19 19 GLY N N 19 111.594 108.325 3.269 1
1 151 . 5 1 1 A 20 20 LEU H H 20 8.400 8.489 -0.089 1
1 152 . 5 1 1 A 20 20 LEU HA H 20 4.803 4.378 0.425 1
1 162 . 5 1 1 A 20 20 LEU C C 20 175.350 176.039 -0.689 1
1 163 . 5 1 1 A 20 20 LEU CA C 20 55.557 54.502 1.055 1
1 164 . 5 1 1 A 20 20 LEU CB C 20 46.554 43.317 3.237 1
1 168 . 5 1 1 A 20 20 LEU N N 20 121.661 121.035 0.626 1
1 169 . 5 1 1 A 21 21 THR H H 21 7.720 8.517 -0.797 1
1 170 . 5 1 1 A 21 21 THR HA H 21 4.900 4.668 0.232 1
1 175 . 5 1 1 A 21 21 THR C C 21 174.986 175.182 -0.196 1
1 176 . 5 1 1 A 21 21 THR CA C 21 61.049 60.823 0.226 1
1 177 . 5 1 1 A 21 21 THR CB C 21 71.081 72.888 -1.807 1
1 179 . 5 1 1 A 21 21 THR N N 21 112.043 112.250 -0.207 1
1 180 . 5 1 1 A 22 22 THR H H 22 7.782 8.723 -0.941 1
1 181 . 5 1 1 A 22 22 THR HA H 22 4.657 4.210 0.447 1
1 186 . 5 1 1 A 22 22 THR C C 22 174.110 175.660 -1.550 1
1 187 . 5 1 1 A 22 22 THR CA C 22 63.654 65.721 -2.067 1
1 188 . 5 1 1 A 22 22 THR CB C 22 69.834 68.407 1.427 1
1 190 . 5 1 1 A 22 22 THR N N 22 110.558 118.991 -8.433 1
1 191 . 5 1 1 A 23 23 SER H H 23 7.289 7.720 -0.431 1
1 192 . 5 1 1 A 23 23 SER HA H 23 4.717 4.804 -0.087 1
1 195 . 5 1 1 A 23 23 SER C C 23 173.680 174.448 -0.768 1
1 196 . 5 1 1 A 23 23 SER CA C 23 57.212 59.096 -1.884 1
1 197 . 5 1 1 A 23 23 SER CB C 23 66.012 64.484 1.528 1
1 198 . 5 1 1 A 23 23 SER N N 23 107.116 113.526 -6.410 1
1 199 . 5 1 1 A 24 24 THR H H 24 7.174 7.630 -0.456 1
1 200 . 5 1 1 A 24 24 THR HA H 24 5.377 4.777 0.600 1
1 205 . 5 1 1 A 24 24 THR C C 24 176.427 173.423 3.004 1
1 206 . 5 1 1 A 24 24 THR CA C 24 58.656 59.520 -0.864 1
1 207 . 5 1 1 A 24 24 THR CB C 24 73.018 71.641 1.377 1
1 209 . 5 1 1 A 24 24 THR N N 24 111.053 111.831 -0.778 1
1 210 . 5 1 1 A 25 25 THR H H 25 8.180 8.401 -0.221 1
1 211 . 5 1 1 A 25 25 THR HA H 25 4.608 4.884 -0.276 1
1 216 . 5 1 1 A 25 25 THR C C 25 170.451 173.655 -3.204 1
1 217 . 5 1 1 A 25 25 THR CA C 25 63.619 61.639 1.980 1
1 218 . 5 1 1 A 25 25 THR CB C 25 75.464 71.615 3.849 1
1 220 . 5 1 1 A 25 25 THR N N 25 117.664 115.972 1.692 1
1 221 . 5 1 1 A 26 26 GLU H H 26 9.197 8.718 0.479 1
1 222 . 5 1 1 A 26 26 GLU HA H 26 4.706 4.505 0.201 1
1 227 . 5 1 1 A 26 26 GLU C C 26 174.626 175.543 -0.917 1
1 228 . 5 1 1 A 26 26 GLU CA C 26 55.751 57.059 -1.308 1
1 229 . 5 1 1 A 26 26 GLU CB C 26 30.917 31.002 -0.085 1
1 231 . 5 1 1 A 26 26 GLU N N 26 130.706 126.524 4.182 1
1 232 . 5 1 1 A 27 27 LEU H H 27 9.001 8.353 0.648 1
1 233 . 5 1 1 A 27 27 LEU HA H 27 5.273 5.261 0.012 1
1 243 . 5 1 1 A 27 27 LEU C C 27 176.770 175.650 1.120 1
1 244 . 5 1 1 A 27 27 LEU CA C 27 53.165 53.584 -0.419 1
1 245 . 5 1 1 A 27 27 LEU CB C 27 47.693 47.396 0.297 1
1 249 . 5 1 1 A 27 27 LEU N N 27 124.564 120.892 3.672 1
1 250 . 5 1 1 A 28 28 ALA H H 28 8.640 8.411 0.229 1
1 251 . 5 1 1 A 28 28 ALA HA H 28 4.577 4.695 -0.118 1
1 255 . 5 1 1 A 28 28 ALA C C 28 174.523 175.238 -0.715 1
1 256 . 5 1 1 A 28 28 ALA CA C 28 51.404 51.959 -0.555 1
1 257 . 5 1 1 A 28 28 ALA CB C 28 23.304 20.644 2.660 1
1 258 . 5 1 1 A 28 28 ALA N N 28 122.531 121.469 1.062 1
1 259 . 5 1 1 A 29 29 TRP H H 29 7.581 8.124 -0.543 1
1 260 . 5 1 1 A 29 29 TRP HA H 29 4.868 5.672 -0.804 1
1 269 . 5 1 1 A 29 29 TRP C C 29 172.280 173.657 -1.377 1
1 270 . 5 1 1 A 29 29 TRP CA C 29 56.948 54.364 2.584 1
1 271 . 5 1 1 A 29 29 TRP CB C 29 29.667 32.213 -2.546 1
1 277 . 5 1 1 A 29 29 TRP N N 29 115.551 120.845 -5.294 1
1 279 . 5 1 1 A 30 30 ASP H H 30 9.276 9.377 -0.101 1
1 280 . 5 1 1 A 30 30 ASP HA H 30 5.443 5.089 0.354 1
1 283 . 5 1 1 A 30 30 ASP C C 30 173.846 173.580 0.266 1
1 284 . 5 1 1 A 30 30 ASP CA C 30 51.562 50.926 0.636 1
1 285 . 5 1 1 A 30 30 ASP CB C 30 42.533 42.408 0.125 1
1 286 . 5 1 1 A 30 30 ASP N N 30 117.265 119.919 -2.654 1
1 287 . 5 1 1 A 31 31 PRO HA H 31 5.105 4.884 0.221 1
1 294 . 5 1 1 A 31 31 PRO CA C 31 61.905 61.554 0.351 1
1 295 . 5 1 1 A 31 31 PRO CB C 31 29.864 31.656 -1.792 1
1 298 . 5 1 1 A 32 32 PRO HA H 32 4.580 4.898 -0.318 1
1 305 . 5 1 1 A 32 32 PRO CA C 32 62.036 62.734 -0.698 1
1 306 . 5 1 1 A 32 32 PRO CB C 32 30.840 32.145 -1.305 1
1 309 . 5 1 1 A 33 33 VAL H H 33 8.755 8.017 0.738 1
1 310 . 5 1 1 A 33 33 VAL HA H 33 3.994 4.206 -0.212 1
1 318 . 5 1 1 A 33 33 VAL CA C 33 62.553 62.279 0.274 1
1 319 . 5 1 1 A 33 33 VAL CB C 33 31.763 32.482 -0.719 1
1 322 . 5 1 1 A 33 33 VAL N N 33 120.113 119.876 0.237 1
1 323 . 5 1 1 A 34 34 LEU H H 34 8.469 8.720 -0.251 1
1 324 . 5 1 1 A 34 34 LEU HA H 34 3.768 4.028 -0.260 1
1 334 . 5 1 1 A 34 34 LEU CA C 34 58.809 57.458 1.351 1
1 335 . 5 1 1 A 34 34 LEU CB C 34 42.426 41.552 0.874 1
1 339 . 5 1 1 A 34 34 LEU N N 34 125.095 123.862 1.233 1
1 340 . 5 1 1 A 35 35 ALA H H 35 8.586 7.953 0.633 1
1 341 . 5 1 1 A 35 35 ALA HA H 35 4.171 4.132 0.039 1
1 345 . 5 1 1 A 35 35 ALA CA C 35 53.957 55.095 -1.138 1
1 346 . 5 1 1 A 35 35 ALA CB C 35 19.056 18.305 0.751 1
1 347 . 5 1 1 A 35 35 ALA N N 35 119.010 122.365 -3.355 1
1 348 . 5 1 1 A 36 36 GLU H H 36 8.070 8.244 -0.174 1
1 349 . 5 1 1 A 36 36 GLU HA H 36 4.305 4.048 0.257 1
1 354 . 5 1 1 A 36 36 GLU CA C 36 55.527 59.237 -3.710 1
1 355 . 5 1 1 A 36 36 GLU CB C 36 29.845 29.225 0.620 1
1 357 . 5 1 1 A 36 36 GLU N N 36 115.604 115.483 0.121 1
1 358 . 5 1 1 A 37 37 ARG HA H 37 3.758 4.371 -0.613 1
1 365 . 5 1 1 A 37 37 ARG CA C 37 60.050 56.171 3.879 1
1 366 . 5 1 1 A 37 37 ARG CB C 37 30.804 30.067 0.737 1
1 369 . 5 1 1 A 37 37 ARG N N 37 122.198 117.617 4.581 1
1 370 . 5 1 1 A 38 38 ASN H H 38 8.093 8.587 -0.494 1
1 371 . 5 1 1 A 38 38 ASN HA H 38 4.291 4.380 -0.089 1
1 376 . 5 1 1 A 38 38 ASN C C 38 174.619 175.977 -1.358 1
1 377 . 5 1 1 A 38 38 ASN CA C 38 53.287 55.995 -2.708 1
1 378 . 5 1 1 A 38 38 ASN CB C 38 37.482 38.524 -1.042 1
1 379 . 5 1 1 A 38 38 ASN N N 38 109.319 122.773 -13.454 1
1 381 . 5 1 1 A 39 39 GLY H H 39 7.575 7.764 -0.189 1
1 382 . 5 1 1 A 39 39 GLY HA2 H 39 4.320 4.070 0.250 1
1 383 . 5 1 1 A 39 39 GLY HA3 H 39 3.697 4.072 -0.375 1
1 384 . 5 1 1 A 39 39 GLY C C 39 172.138 173.465 -1.327 1
1 385 . 5 1 1 A 39 39 GLY CA C 39 43.766 44.637 -0.871 1
1 386 . 5 1 1 A 39 39 GLY N N 39 105.607 104.431 1.176 1
1 387 . 5 1 1 A 40 40 ARG H H 40 8.180 8.516 -0.336 1
1 388 . 5 1 1 A 40 40 ARG HA H 40 4.333 4.515 -0.182 1
1 395 . 5 1 1 A 40 40 ARG C C 40 176.395 175.613 0.782 1
1 396 . 5 1 1 A 40 40 ARG CA C 40 55.453 55.236 0.217 1
1 397 . 5 1 1 A 40 40 ARG CB C 40 30.999 31.611 -0.612 1
1 400 . 5 1 1 A 40 40 ARG N N 40 119.566 120.289 -0.723 1
1 401 . 5 1 1 A 41 41 ILE H H 41 8.991 8.839 0.152 1
1 402 . 5 1 1 A 41 41 ILE HA H 41 4.256 4.721 -0.465 1
1 412 . 5 1 1 A 41 41 ILE CA C 41 59.279 59.943 -0.664 1
1 413 . 5 1 1 A 41 41 ILE CB C 41 35.329 40.444 -5.115 1
1 417 . 5 1 1 A 41 41 ILE N N 41 127.226 121.549 5.677 1
1 418 . 5 1 1 A 42 42 ILE H H 42 8.721 8.901 -0.180 1
1 419 . 5 1 1 A 42 42 ILE HA H 42 4.475 4.535 -0.060 1
1 429 . 5 1 1 A 42 42 ILE C C 42 175.959 176.128 -0.169 1
1 430 . 5 1 1 A 42 42 ILE CA C 42 61.208 61.217 -0.009 1
1 431 . 5 1 1 A 42 42 ILE CB C 42 39.771 39.726 0.045 1
1 435 . 5 1 1 A 42 42 ILE N N 42 122.018 120.661 1.357 1
1 436 . 5 1 1 A 43 43 SER H H 43 7.425 7.693 -0.268 1
1 437 . 5 1 1 A 43 43 SER HA H 43 4.555 5.006 -0.451 1
1 440 . 5 1 1 A 43 43 SER C C 43 170.232 171.828 -1.596 1
1 441 . 5 1 1 A 43 43 SER CA C 43 58.234 57.909 0.325 1
1 442 . 5 1 1 A 43 43 SER CB C 43 64.287 66.700 -2.413 1
1 443 . 5 1 1 A 43 43 SER N N 43 113.043 116.110 -3.067 1
1 444 . 5 1 1 A 44 44 TYR H H 44 9.297 8.314 0.983 1
1 445 . 5 1 1 A 44 44 TYR HA H 44 5.741 5.847 -0.106 1
1 452 . 5 1 1 A 44 44 TYR C C 44 175.735 175.153 0.582 1
1 453 . 5 1 1 A 44 44 TYR CA C 44 57.137 56.353 0.784 1
1 454 . 5 1 1 A 44 44 TYR CB C 44 42.410 43.495 -1.085 1
1 459 . 5 1 1 A 44 44 TYR N N 44 116.157 119.169 -3.012 1
1 460 . 5 1 1 A 45 45 THR H H 45 8.778 8.648 0.130 1
1 461 . 5 1 1 A 45 45 THR HA H 45 5.094 5.226 -0.132 1
1 466 . 5 1 1 A 45 45 THR C C 45 173.026 173.653 -0.627 1
1 467 . 5 1 1 A 45 45 THR CA C 45 61.853 61.618 0.235 1
1 468 . 5 1 1 A 45 45 THR CB C 45 71.072 71.074 -0.002 1
1 470 . 5 1 1 A 45 45 THR N N 45 114.801 115.795 -0.994 1
1 471 . 5 1 1 A 46 46 VAL H H 46 9.145 8.636 0.509 1
1 472 . 5 1 1 A 46 46 VAL HA H 46 4.244 4.483 -0.239 1
1 480 . 5 1 1 A 46 46 VAL C C 46 174.278 175.430 -1.152 1
1 481 . 5 1 1 A 46 46 VAL CA C 46 61.137 62.627 -1.490 1
1 482 . 5 1 1 A 46 46 VAL CB C 46 32.999 30.738 2.261 1
1 485 . 5 1 1 A 46 46 VAL N N 46 127.180 127.650 -0.470 1
1 486 . 5 1 1 A 47 47 VAL H H 47 9.041 8.426 0.615 1
1 487 . 5 1 1 A 47 47 VAL HA H 47 5.004 4.644 0.360 1
1 495 . 5 1 1 A 47 47 VAL C C 47 175.023 175.681 -0.658 1
1 496 . 5 1 1 A 47 47 VAL CA C 47 60.996 61.587 -0.591 1
1 497 . 5 1 1 A 47 47 VAL CB C 47 33.488 31.915 1.573 1
1 500 . 5 1 1 A 47 47 VAL N N 47 128.169 128.616 -0.447 1
1 501 . 5 1 1 A 48 48 PHE H H 48 9.169 8.972 0.197 1
1 502 . 5 1 1 A 48 48 PHE HA H 48 6.209 6.115 0.094 1
1 510 . 5 1 1 A 48 48 PHE C C 48 173.210 173.443 -0.233 1
1 511 . 5 1 1 A 48 48 PHE CA C 48 54.702 54.994 -0.292 1
1 512 . 5 1 1 A 48 48 PHE CB C 48 43.316 42.798 0.518 1
1 518 . 5 1 1 A 48 48 PHE N N 48 123.753 124.046 -0.293 1
1 519 . 5 1 1 A 49 49 ARG H H 49 8.693 8.687 0.006 1
1 520 . 5 1 1 A 49 49 ARG HA H 49 4.817 4.783 0.034 1
1 528 . 5 1 1 A 49 49 ARG C C 49 175.280 174.248 1.032 1
1 529 . 5 1 1 A 49 49 ARG CA C 49 54.801 55.102 -0.301 1
1 530 . 5 1 1 A 49 49 ARG CB C 49 35.242 34.367 0.875 1
1 533 . 5 1 1 A 49 49 ARG N N 49 118.793 120.546 -1.753 1
1 535 . 5 1 1 A 50 50 ASP H H 50 8.820 8.509 0.311 1
1 536 . 5 1 1 A 50 50 ASP HA H 50 4.029 4.557 -0.528 1
1 539 . 5 1 1 A 50 50 ASP C C 50 178.592 177.218 1.374 1
1 540 . 5 1 1 A 50 50 ASP CA C 50 53.498 53.354 0.144 1
1 541 . 5 1 1 A 50 50 ASP CB C 50 40.543 40.313 0.230 1
1 542 . 5 1 1 A 50 50 ASP N N 50 128.720 124.278 4.442 1
1 543 . 5 1 1 A 51 51 ILE H H 51 8.315 8.411 -0.096 1
1 544 . 5 1 1 A 51 51 ILE HA H 51 3.892 3.716 0.176 1
1 554 . 5 1 1 A 51 51 ILE C C 51 176.905 176.715 0.190 1
1 555 . 5 1 1 A 51 51 ILE CA C 51 64.569 63.912 0.657 1
1 556 . 5 1 1 A 51 51 ILE CB C 51 38.126 37.578 0.548 1
1 560 . 5 1 1 A 51 51 ILE N N 51 124.642 121.632 3.010 1
1 561 . 5 1 1 A 52 52 ASN H H 52 8.677 7.651 1.026 1
1 562 . 5 1 1 A 52 52 ASN HA H 52 4.760 4.764 -0.004 1
1 567 . 5 1 1 A 52 52 ASN C C 52 174.645 174.630 0.015 1
1 568 . 5 1 1 A 52 52 ASN CA C 52 53.851 53.838 0.013 1
1 569 . 5 1 1 A 52 52 ASN CB C 52 39.032 39.117 -0.085 1
1 570 . 5 1 1 A 52 52 ASN N N 52 119.201 118.633 0.568 1
1 572 . 5 1 1 A 53 53 SER H H 53 8.409 8.280 0.129 1
1 573 . 5 1 1 A 53 53 SER HA H 53 4.663 4.931 -0.268 1
1 576 . 5 1 1 A 53 53 SER C C 53 173.861 173.492 0.369 1
1 577 . 5 1 1 A 53 53 SER CA C 53 56.702 57.652 -0.950 1
1 578 . 5 1 1 A 53 53 SER CB C 53 65.730 67.305 -1.575 1
1 579 . 5 1 1 A 53 53 SER N N 53 116.494 115.314 1.180 1
1 580 . 5 1 1 A 54 54 GLN H H 54 8.489 8.432 0.057 1
1 581 . 5 1 1 A 54 54 GLN HA H 54 4.329 4.581 -0.252 1
1 588 . 5 1 1 A 54 54 GLN C C 54 175.789 175.258 0.531 1
1 589 . 5 1 1 A 54 54 GLN CA C 54 55.857 54.803 1.054 1
1 590 . 5 1 1 A 54 54 GLN CB C 54 28.847 28.198 0.649 1
1 592 . 5 1 1 A 54 54 GLN N N 54 119.700 118.709 0.991 1
1 594 . 5 1 1 A 55 55 GLN H H 55 8.108 7.661 0.447 1
1 595 . 5 1 1 A 55 55 GLN HA H 55 4.269 4.620 -0.351 1
1 602 . 5 1 1 A 55 55 GLN C C 55 174.076 174.659 -0.583 1
1 603 . 5 1 1 A 55 55 GLN CA C 55 55.689 54.900 0.789 1
1 604 . 5 1 1 A 55 55 GLN CB C 55 29.352 29.807 -0.455 1
1 606 . 5 1 1 A 55 55 GLN N N 55 120.355 121.687 -1.332 1
1 608 . 5 1 1 A 56 56 GLU H H 56 8.603 8.888 -0.285 1
1 609 . 5 1 1 A 56 56 GLU HA H 56 4.372 4.796 -0.424 1
1 614 . 5 1 1 A 56 56 GLU C C 56 175.058 175.367 -0.309 1
1 615 . 5 1 1 A 56 56 GLU CA C 56 55.594 55.958 -0.364 1
1 616 . 5 1 1 A 56 56 GLU CB C 56 31.640 31.022 0.618 1
1 618 . 5 1 1 A 56 56 GLU N N 56 126.250 128.723 -2.473 1
1 619 . 5 1 1 A 57 57 LEU H H 57 8.520 8.065 0.455 1
1 620 . 5 1 1 A 57 57 LEU HA H 57 4.458 4.697 -0.239 1
1 630 . 5 1 1 A 57 57 LEU C C 57 174.850 174.497 0.353 1
1 631 . 5 1 1 A 57 57 LEU CA C 57 53.780 53.199 0.581 1
1 632 . 5 1 1 A 57 57 LEU CB C 57 43.903 46.449 -2.546 1
1 636 . 5 1 1 A 57 57 LEU N N 57 127.205 126.386 0.819 1
1 637 . 5 1 1 A 58 58 GLN H H 58 7.992 8.628 -0.636 1
1 638 . 5 1 1 A 58 58 GLN HA H 58 5.865 5.451 0.414 1
1 645 . 5 1 1 A 58 58 GLN C C 58 175.948 173.571 2.377 1
1 646 . 5 1 1 A 58 58 GLN CA C 58 53.944 54.382 -0.438 1
1 647 . 5 1 1 A 58 58 GLN CB C 58 32.786 32.808 -0.022 1
1 649 . 5 1 1 A 58 58 GLN N N 58 113.562 118.072 -4.510 1
1 651 . 5 1 1 A 59 59 ASN H H 59 9.073 9.067 0.006 1
1 652 . 5 1 1 A 59 59 ASN HA H 59 5.068 5.467 -0.399 1
1 657 . 5 1 1 A 59 59 ASN C C 59 172.790 174.111 -1.321 1
1 658 . 5 1 1 A 59 59 ASN CA C 59 53.023 51.617 1.406 1
1 659 . 5 1 1 A 59 59 ASN CB C 59 45.541 42.911 2.630 1
1 660 . 5 1 1 A 59 59 ASN N N 59 119.984 117.920 2.064 1
1 662 . 5 1 1 A 60 60 ILE H H 60 8.491 8.498 -0.007 1
1 663 . 5 1 1 A 60 60 ILE HA H 60 5.147 5.122 0.025 1
1 673 . 5 1 1 A 60 60 ILE C C 60 175.088 174.637 0.451 1
1 674 . 5 1 1 A 60 60 ILE CA C 60 59.853 60.034 -0.181 1
1 675 . 5 1 1 A 60 60 ILE CB C 60 40.891 41.428 -0.537 1
1 679 . 5 1 1 A 60 60 ILE N N 60 119.480 120.439 -0.959 1
1 680 . 5 1 1 A 61 61 THR H H 61 8.755 8.272 0.483 1
1 681 . 5 1 1 A 61 61 THR HA H 61 4.976 5.186 -0.210 1
1 686 . 5 1 1 A 61 61 THR C C 61 172.097 173.636 -1.539 1
1 687 . 5 1 1 A 61 61 THR CA C 61 59.905 60.299 -0.394 1
1 688 . 5 1 1 A 61 61 THR CB C 61 69.505 71.220 -1.715 1
1 690 . 5 1 1 A 61 61 THR N N 61 118.083 119.480 -1.397 1
1 691 . 5 1 1 A 62 62 THR H H 62 8.325 8.567 -0.242 1
1 692 . 5 1 1 A 62 62 THR HA H 62 4.641 4.558 0.083 1
1 697 . 5 1 1 A 62 62 THR C C 62 174.386 173.209 1.177 1
1 698 . 5 1 1 A 62 62 THR CA C 62 62.440 62.159 0.281 1
1 699 . 5 1 1 A 62 62 THR CB C 62 69.355 68.752 0.603 1
1 701 . 5 1 1 A 62 62 THR N N 62 115.077 117.369 -2.292 1
1 702 . 5 1 1 A 63 63 ASP H H 63 8.611 7.678 0.933 1
1 703 . 5 1 1 A 63 63 ASP HA H 63 4.962 5.089 -0.127 1
1 706 . 5 1 1 A 63 63 ASP C C 63 172.906 176.481 -3.575 1
1 707 . 5 1 1 A 63 63 ASP CA C 63 52.981 53.053 -0.072 1
1 708 . 5 1 1 A 63 63 ASP CB C 63 43.465 44.785 -1.320 1
1 709 . 5 1 1 A 63 63 ASP N N 63 125.713 121.231 4.482 1
1 710 . 5 1 1 A 64 64 THR H H 64 7.925 8.352 -0.427 1
1 711 . 5 1 1 A 64 64 THR HA H 64 3.088 3.706 -0.618 1
1 716 . 5 1 1 A 64 64 THR C C 64 172.176 171.763 0.413 1
1 717 . 5 1 1 A 64 64 THR CA C 64 59.078 61.315 -2.237 1
1 718 . 5 1 1 A 64 64 THR CB C 64 66.137 68.156 -2.019 1
1 720 . 5 1 1 A 64 64 THR N N 64 104.287 112.470 -8.183 1
1 721 . 5 1 1 A 65 65 ARG H H 65 6.387 7.299 -0.912 1
1 722 . 5 1 1 A 65 65 ARG HA H 65 4.221 3.829 0.392 1
1 729 . 5 1 1 A 65 65 ARG C C 65 174.862 174.291 0.571 1
1 730 . 5 1 1 A 65 65 ARG CA C 65 54.132 53.499 0.633 1
1 731 . 5 1 1 A 65 65 ARG CB C 65 32.928 33.872 -0.944 1
1 734 . 5 1 1 A 65 65 ARG N N 65 115.062 118.474 -3.412 1
1 735 . 5 1 1 A 66 66 PHE H H 66 8.177 8.957 -0.780 1
1 736 . 5 1 1 A 66 66 PHE HA H 66 4.373 4.924 -0.551 1
1 744 . 5 1 1 A 66 66 PHE C C 66 172.804 172.976 -0.172 1
1 745 . 5 1 1 A 66 66 PHE CA C 66 59.536 58.253 1.283 1
1 746 . 5 1 1 A 66 66 PHE CB C 66 44.469 41.818 2.651 1
1 752 . 5 1 1 A 66 66 PHE N N 66 119.991 119.442 0.549 1
1 753 . 5 1 1 A 67 67 THR H H 67 7.332 7.500 -0.168 1
1 754 . 5 1 1 A 67 67 THR HA H 67 4.628 5.180 -0.552 1
1 759 . 5 1 1 A 67 67 THR C C 67 172.910 174.013 -1.103 1
1 760 . 5 1 1 A 67 67 THR CA C 67 61.261 61.033 0.228 1
1 761 . 5 1 1 A 67 67 THR CB C 67 69.260 71.266 -2.006 1
1 763 . 5 1 1 A 67 67 THR N N 67 123.294 118.177 5.117 1
1 764 . 5 1 1 A 68 68 LEU H H 68 8.776 9.215 -0.439 1
1 765 . 5 1 1 A 68 68 LEU HA H 68 4.192 4.306 -0.114 1
1 775 . 5 1 1 A 68 68 LEU C C 68 176.337 175.974 0.363 1
1 776 . 5 1 1 A 68 68 LEU CA C 68 54.394 54.743 -0.349 1
1 777 . 5 1 1 A 68 68 LEU CB C 68 42.394 42.329 0.065 1
1 781 . 5 1 1 A 68 68 LEU N N 68 126.969 127.837 -0.868 1
1 782 . 5 1 1 A 69 69 THR H H 69 7.921 8.230 -0.309 1
1 783 . 5 1 1 A 69 69 THR HA H 69 4.814 4.616 0.198 1
1 788 . 5 1 1 A 69 69 THR C C 69 173.856 173.528 0.328 1
1 789 . 5 1 1 A 69 69 THR CA C 69 59.694 60.502 -0.808 1
1 790 . 5 1 1 A 69 69 THR CB C 69 71.829 71.528 0.301 1
1 792 . 5 1 1 A 69 69 THR N N 69 111.246 111.378 -0.132 1
1 793 . 5 1 1 A 70 70 GLY H H 70 8.894 8.661 0.233 1
1 794 . 5 1 1 A 70 70 GLY HA2 H 70 3.930 3.862 0.068 1
1 795 . 5 1 1 A 70 70 GLY HA3 H 70 3.809 3.887 -0.078 1
1 796 . 5 1 1 A 70 70 GLY C C 70 175.589 174.648 0.941 1
1 797 . 5 1 1 A 70 70 GLY CA C 70 46.178 46.729 -0.551 1
1 798 . 5 1 1 A 70 70 GLY N N 70 107.415 111.746 -4.331 1
1 799 . 5 1 1 A 71 71 LEU H H 71 8.341 7.797 0.544 1
1 800 . 5 1 1 A 71 71 LEU HA H 71 4.195 4.755 -0.560 1
1 810 . 5 1 1 A 71 71 LEU C C 71 175.422 175.168 0.254 1
1 811 . 5 1 1 A 71 71 LEU CA C 71 53.429 53.374 0.055 1
1 812 . 5 1 1 A 71 71 LEU CB C 71 40.650 43.487 -2.837 1
1 816 . 5 1 1 A 71 71 LEU N N 71 118.621 120.458 -1.837 1
1 817 . 5 1 1 A 72 72 LYS H H 72 8.298 9.385 -1.087 1
1 818 . 5 1 1 A 72 72 LYS HA H 72 4.631 4.860 -0.229 1
1 827 . 5 1 1 A 72 72 LYS C C 72 174.599 175.300 -0.701 1
1 828 . 5 1 1 A 72 72 LYS CA C 72 53.851 54.024 -0.173 1
1 829 . 5 1 1 A 72 72 LYS CB C 72 33.619 34.256 -0.637 1
1 833 . 5 1 1 A 72 72 LYS N N 72 121.340 122.488 -1.148 1
1 834 . 5 1 1 A 73 73 PRO HA H 73 5.086 4.713 0.373 1
1 841 . 5 1 1 A 73 73 PRO C C 73 178.198 177.251 0.947 1
1 842 . 5 1 1 A 73 73 PRO CA C 73 62.897 63.536 -0.639 1
1 843 . 5 1 1 A 73 73 PRO CB C 73 33.198 32.112 1.086 1
1 846 . 5 1 1 A 74 74 ASP H H 74 7.537 9.020 -1.483 1
1 847 . 5 1 1 A 74 74 ASP HA H 74 4.290 4.275 0.015 1
1 850 . 5 1 1 A 74 74 ASP C C 74 174.390 174.714 -0.324 1
1 851 . 5 1 1 A 74 74 ASP CA C 74 54.343 55.119 -0.776 1
1 852 . 5 1 1 A 74 74 ASP CB C 74 41.393 39.736 1.657 1
1 853 . 5 1 1 A 74 74 ASP N N 74 126.834 121.601 5.233 1
1 854 . 5 1 1 A 75 75 THR H H 75 8.197 7.249 0.948 1
1 855 . 5 1 1 A 75 75 THR HA H 75 4.316 4.774 -0.458 1
1 860 . 5 1 1 A 75 75 THR C C 75 172.076 173.534 -1.458 1
1 861 . 5 1 1 A 75 75 THR CA C 75 63.087 61.370 1.717 1
1 862 . 5 1 1 A 75 75 THR CB C 75 71.822 72.286 -0.464 1
1 864 . 5 1 1 A 75 75 THR N N 75 113.905 112.372 1.533 1
1 865 . 5 1 1 A 76 76 THR H H 76 8.606 8.690 -0.084 1
1 866 . 5 1 1 A 76 76 THR HA H 76 4.641 4.349 0.292 1
1 871 . 5 1 1 A 76 76 THR C C 76 172.308 173.950 -1.642 1
1 872 . 5 1 1 A 76 76 THR CA C 76 63.197 63.589 -0.392 1
1 873 . 5 1 1 A 76 76 THR CB C 76 68.333 69.260 -0.927 1
1 875 . 5 1 1 A 76 76 THR N N 76 124.170 121.551 2.619 1
1 876 . 5 1 1 A 77 77 TYR H H 77 9.230 8.895 0.335 1
1 877 . 5 1 1 A 77 77 TYR HA H 77 5.084 5.173 -0.089 1
1 884 . 5 1 1 A 77 77 TYR C C 77 174.065 174.422 -0.357 1
1 885 . 5 1 1 A 77 77 TYR CA C 77 57.443 56.309 1.134 1
1 886 . 5 1 1 A 77 77 TYR CB C 77 41.115 39.974 1.141 1
1 891 . 5 1 1 A 77 77 TYR N N 77 125.729 126.401 -0.672 1
1 892 . 5 1 1 A 78 78 ASP H H 78 9.222 9.413 -0.191 1
1 893 . 5 1 1 A 78 78 ASP HA H 78 5.288 4.762 0.526 1
1 896 . 5 1 1 A 78 78 ASP C C 78 176.268 174.774 1.494 1
1 897 . 5 1 1 A 78 78 ASP CA C 78 53.565 54.162 -0.597 1
1 898 . 5 1 1 A 78 78 ASP CB C 78 44.874 40.753 4.121 1
1 899 . 5 1 1 A 78 78 ASP N N 78 124.016 125.661 -1.645 1
1 900 . 5 1 1 A 79 79 ILE H H 79 9.210 8.690 0.520 1
1 901 . 5 1 1 A 79 79 ILE HA H 79 5.027 5.267 -0.240 1
1 911 . 5 1 1 A 79 79 ILE C C 79 172.968 174.803 -1.835 1
1 912 . 5 1 1 A 79 79 ILE CA C 79 61.102 59.783 1.319 1
1 913 . 5 1 1 A 79 79 ILE CB C 79 41.830 40.008 1.822 1
1 917 . 5 1 1 A 79 79 ILE N N 79 127.527 127.258 0.269 1
1 918 . 5 1 1 A 80 80 LYS H H 80 8.930 9.320 -0.390 1
1 919 . 5 1 1 A 80 80 LYS HA H 80 4.282 5.072 -0.790 1
1 928 . 5 1 1 A 80 80 LYS C C 80 173.716 174.293 -0.577 1
1 929 . 5 1 1 A 80 80 LYS CA C 80 54.749 53.988 0.761 1
1 930 . 5 1 1 A 80 80 LYS CB C 80 37.864 36.701 1.163 1
1 934 . 5 1 1 A 80 80 LYS N N 80 122.620 124.490 -1.870 1
1 935 . 5 1 1 A 81 81 VAL H H 81 8.070 8.818 -0.748 1
1 936 . 5 1 1 A 81 81 VAL HA H 81 5.365 4.764 0.601 1
1 944 . 5 1 1 A 81 81 VAL C C 81 174.099 173.571 0.528 1
1 945 . 5 1 1 A 81 81 VAL CA C 81 59.228 59.557 -0.329 1
1 946 . 5 1 1 A 81 81 VAL CB C 81 36.108 34.925 1.183 1
1 949 . 5 1 1 A 81 81 VAL N N 81 115.045 119.147 -4.102 1
1 950 . 5 1 1 A 82 82 ARG H H 82 8.733 8.887 -0.154 1
1 951 . 5 1 1 A 82 82 ARG HA H 82 4.984 5.027 -0.043 1
1 959 . 5 1 1 A 82 82 ARG C C 82 172.874 174.456 -1.582 1
1 960 . 5 1 1 A 82 82 ARG CA C 82 53.552 54.775 -1.223 1
1 961 . 5 1 1 A 82 82 ARG CB C 82 34.521 33.946 0.575 1
1 964 . 5 1 1 A 82 82 ARG N N 82 122.032 123.651 -1.619 1
1 966 . 5 1 1 A 83 83 ALA H H 83 9.221 8.595 0.626 1
1 967 . 5 1 1 A 83 83 ALA HA H 83 5.132 3.856 1.276 1
1 971 . 5 1 1 A 83 83 ALA C C 83 174.998 176.950 -1.952 1
1 972 . 5 1 1 A 83 83 ALA CA C 83 50.383 51.932 -1.549 1
1 973 . 5 1 1 A 83 83 ALA CB C 83 23.472 19.617 3.855 1
1 974 . 5 1 1 A 83 83 ALA N N 83 124.044 126.080 -2.036 1
1 975 . 5 1 1 A 84 84 TRP H H 84 8.387 8.720 -0.333 1
1 976 . 5 1 1 A 84 84 TRP HA H 84 5.020 5.269 -0.249 1
1 985 . 5 1 1 A 84 84 TRP C C 84 177.430 175.418 2.012 1
1 986 . 5 1 1 A 84 84 TRP CA C 84 56.807 56.294 0.513 1
1 987 . 5 1 1 A 84 84 TRP CB C 84 31.235 32.844 -1.609 1
1 993 . 5 1 1 A 84 84 TRP N N 84 117.779 120.340 -2.561 1
1 995 . 5 1 1 A 85 85 THR H H 85 8.698 8.751 -0.053 1
1 996 . 5 1 1 A 85 85 THR HA H 85 5.190 5.148 0.042 1
1 1001 . 5 1 1 A 85 85 THR C C 85 176.429 175.590 0.839 1
1 1002 . 5 1 1 A 85 85 THR CA C 85 59.958 59.913 0.045 1
1 1003 . 5 1 1 A 85 85 THR CB C 85 72.646 71.691 0.955 1
1 1005 . 5 1 1 A 85 85 THR N N 85 111.404 113.194 -1.790 1
1 1006 . 5 1 1 A 86 86 SER H H 86 9.765 9.205 0.560 1
1 1007 . 5 1 1 A 86 86 SER HA H 86 4.242 4.165 0.077 1
1 1010 . 5 1 1 A 86 86 SER C C 86 174.834 176.684 -1.850 1
1 1011 . 5 1 1 A 86 86 SER CA C 86 61.014 61.215 -0.201 1
1 1012 . 5 1 1 A 86 86 SER CB C 86 62.807 62.771 0.036 1
1 1013 . 5 1 1 A 86 86 SER N N 86 115.745 117.751 -2.006 1
1 1014 . 5 1 1 A 87 87 LYS H H 87 7.947 7.921 0.026 1
1 1015 . 5 1 1 A 87 87 LYS HA H 87 4.426 4.156 0.270 1
1 1024 . 5 1 1 A 87 87 LYS C C 87 176.373 176.740 -0.367 1
1 1025 . 5 1 1 A 87 87 LYS CA C 87 55.857 59.002 -3.145 1
1 1026 . 5 1 1 A 87 87 LYS CB C 87 33.386 32.947 0.439 1
1 1030 . 5 1 1 A 87 87 LYS N N 87 118.254 118.949 -0.695 1
1 1031 . 5 1 1 A 88 88 GLY H H 88 7.400 6.919 0.481 1
1 1032 . 5 1 1 A 88 88 GLY HA2 H 88 4.446 4.084 0.362 1
1 1033 . 5 1 1 A 88 88 GLY HA3 H 88 3.990 4.220 -0.230 1
1 1034 . 5 1 1 A 88 88 GLY C C 88 171.366 171.427 -0.061 1
1 1035 . 5 1 1 A 88 88 GLY CA C 88 45.006 46.094 -1.088 1
1 1036 . 5 1 1 A 88 88 GLY N N 88 106.086 104.097 1.989 1
1 1037 . 5 1 1 A 89 89 SER H H 89 8.048 8.180 -0.132 1
1 1038 . 5 1 1 A 89 89 SER HA H 89 3.899 4.374 -0.475 1
1 1041 . 5 1 1 A 89 89 SER CA C 89 56.522 55.236 1.286 1
1 1042 . 5 1 1 A 89 89 SER CB C 89 63.965 64.928 -0.963 1
1 1043 . 5 1 1 A 89 89 SER N N 89 113.549 116.552 -3.003 1
1 1044 . 5 1 1 A 90 90 GLY H H 90 8.282 7.851 0.431 1
1 1045 . 5 1 1 A 90 90 GLY HA2 H 90 4.637 4.029 0.608 1
1 1046 . 5 1 1 A 90 90 GLY HA3 H 90 3.696 4.034 -0.338 1
1 1047 . 5 1 1 A 90 90 GLY CA C 90 44.399 44.281 0.118 1
1 1048 . 5 1 1 A 90 90 GLY N N 90 109.030 110.093 -1.063 1
1 1049 . 5 1 1 A 91 91 PRO HA H 91 4.448 4.572 -0.124 1
1 1056 . 5 1 1 A 91 91 PRO C C 91 177.760 175.055 2.705 1
1 1057 . 5 1 1 A 91 91 PRO CA C 91 62.229 62.631 -0.402 1
1 1058 . 5 1 1 A 91 91 PRO CB C 91 32.367 33.097 -0.730 1
1 1061 . 5 1 1 A 92 92 LEU H H 92 8.373 8.348 0.025 1
1 1062 . 5 1 1 A 92 92 LEU HA H 92 4.110 4.717 -0.607 1
1 1072 . 5 1 1 A 92 92 LEU C C 92 176.841 176.322 0.519 1
1 1073 . 5 1 1 A 92 92 LEU CA C 92 55.163 53.551 1.612 1
1 1074 . 5 1 1 A 92 92 LEU CB C 92 43.188 43.184 0.004 1
1 1078 . 5 1 1 A 92 92 LEU N N 92 121.096 122.128 -1.032 1
1 1079 . 5 1 1 A 93 93 SER H H 93 8.629 9.112 -0.483 1
1 1080 . 5 1 1 A 93 93 SER HA H 93 3.683 4.163 -0.480 1
1 1083 . 5 1 1 A 93 93 SER C C 93 171.637 173.693 -2.056 1
1 1084 . 5 1 1 A 93 93 SER CA C 93 56.900 56.910 -0.010 1
1 1085 . 5 1 1 A 93 93 SER CB C 93 62.923 62.767 0.156 1
1 1086 . 5 1 1 A 93 93 SER N N 93 116.072 121.083 -5.011 1
1 1087 . 5 1 1 A 94 94 PRO HA H 94 4.330 4.495 -0.165 1
1 1094 . 5 1 1 A 94 94 PRO C C 94 178.093 177.160 0.933 1
1 1095 . 5 1 1 A 94 94 PRO CA C 94 63.309 62.623 0.686 1
1 1096 . 5 1 1 A 94 94 PRO CB C 94 31.463 31.735 -0.272 1
1 1099 . 5 1 1 A 95 95 SER H H 95 8.722 8.340 0.382 1
1 1100 . 5 1 1 A 95 95 SER HA H 95 4.923 4.933 -0.010 1
1 1103 . 5 1 1 A 95 95 SER C C 95 176.215 175.401 0.814 1
1 1104 . 5 1 1 A 95 95 SER CA C 95 58.955 58.114 0.841 1
1 1105 . 5 1 1 A 95 95 SER CB C 95 64.884 64.299 0.585 1
1 1106 . 5 1 1 A 95 95 SER N N 95 122.184 115.095 7.089 1
1 1107 . 5 1 1 A 96 96 ILE H H 96 8.915 8.502 0.413 1
1 1108 . 5 1 1 A 96 96 ILE HA H 96 4.609 4.493 0.116 1
1 1118 . 5 1 1 A 96 96 ILE C C 96 174.546 176.327 -1.781 1
1 1119 . 5 1 1 A 96 96 ILE CA C 96 59.782 61.129 -1.347 1
1 1120 . 5 1 1 A 96 96 ILE CB C 96 40.995 39.804 1.191 1
1 1124 . 5 1 1 A 96 96 ILE N N 96 115.463 119.873 -4.410 1
1 1125 . 5 1 1 A 97 97 GLN H H 97 8.292 7.834 0.458 1
1 1126 . 5 1 1 A 97 97 GLN HA H 97 5.849 3.930 1.919 1
1 1133 . 5 1 1 A 97 97 GLN C C 97 176.173 174.514 1.659 1
1 1134 . 5 1 1 A 97 97 GLN CA C 97 54.361 56.844 -2.483 1
1 1135 . 5 1 1 A 97 97 GLN CB C 97 31.102 26.385 4.717 1
1 1137 . 5 1 1 A 97 97 GLN N N 97 117.686 118.009 -0.323 1
1 1139 . 5 1 1 A 98 98 SER H H 98 8.751 7.840 0.911 1
1 1140 . 5 1 1 A 98 98 SER HA H 98 4.618 4.586 0.032 1
1 1143 . 5 1 1 A 98 98 SER C C 98 172.310 173.553 -1.243 1
1 1144 . 5 1 1 A 98 98 SER CA C 98 57.019 58.037 -1.018 1
1 1145 . 5 1 1 A 98 98 SER CB C 98 64.588 63.395 1.193 1
1 1146 . 5 1 1 A 98 98 SER N N 98 115.969 113.188 2.781 1
1 1147 . 5 1 1 A 99 99 ARG H H 99 8.519 8.778 -0.259 1
1 1148 . 5 1 1 A 99 99 ARG HA H 99 5.627 4.976 0.651 1
1 1156 . 5 1 1 A 99 99 ARG C C 99 176.394 175.971 0.423 1
1 1157 . 5 1 1 A 99 99 ARG CA C 99 53.705 56.083 -2.378 1
1 1158 . 5 1 1 A 99 99 ARG CB C 99 32.853 30.962 1.891 1
1 1161 . 5 1 1 A 99 99 ARG N N 99 132.343 129.442 2.901 1
1 1163 . 5 1 1 A 100 100 THR H H 100 8.808 8.229 0.579 1
1 1164 . 5 1 1 A 100 100 THR HA H 100 4.182 4.300 -0.118 1
1 1169 . 5 1 1 A 100 100 THR C C 100 175.465 174.453 1.012 1
1 1170 . 5 1 1 A 100 100 THR CA C 100 61.701 62.553 -0.852 1
1 1171 . 5 1 1 A 100 100 THR CB C 100 69.515 70.036 -0.521 1
1 1173 . 5 1 1 A 100 100 THR N N 100 116.147 118.294 -2.147 1
1 1174 . 5 1 1 A 101 101 MET H H 101 7.254 8.446 -1.192 1
1 1175 . 5 1 1 A 101 101 MET HA H 101 4.504 4.699 -0.195 1
1 1183 . 5 1 1 A 101 101 MET C C 101 174.574 175.298 -0.724 1
1 1184 . 5 1 1 A 101 101 MET CA C 101 54.324 54.035 0.289 1
1 1185 . 5 1 1 A 101 101 MET CB C 101 32.235 32.499 -0.264 1
1 1188 . 5 1 1 A 101 101 MET N N 101 117.475 121.367 -3.892 1
1 1189 . 5 1 1 A 102 102 PRO HA H 102 4.647 4.697 -0.050 1
1 1196 . 5 1 1 A 102 102 PRO CA C 102 62.553 62.598 -0.045 1
1 1197 . 5 1 1 A 102 102 PRO CB C 102 32.011 31.256 0.755 1
1 1 . 6 1 1 A 6 6 SER HA H 6 4.535 4.540 -0.005 1
1 4 . 6 1 1 A 6 6 SER CA C 6 58.104 59.572 -1.468 1
1 5 . 6 1 1 A 6 6 SER CB C 6 64.201 63.925 0.276 1
1 6 . 6 1 1 A 7 7 GLY H H 7 7.998 7.937 0.061 1
1 7 . 6 1 1 A 7 7 GLY HA2 H 7 3.978 4.014 -0.036 1
1 8 . 6 1 1 A 7 7 GLY HA3 H 7 3.515 4.066 -0.551 1
1 9 . 6 1 1 A 7 7 GLY CA C 7 44.050 44.317 -0.267 1
1 10 . 6 1 1 A 7 7 GLY N N 7 108.741 110.195 -1.454 1
1 11 . 6 1 1 A 8 8 PRO HA H 8 4.324 4.571 -0.247 1
1 18 . 6 1 1 A 8 8 PRO CA C 8 63.624 62.689 0.935 1
1 19 . 6 1 1 A 8 8 PRO CB C 8 32.235 33.272 -1.037 1
1 22 . 6 1 1 A 9 9 SER H H 9 8.323 8.798 -0.475 1
1 23 . 6 1 1 A 9 9 SER HA H 9 4.512 4.614 -0.102 1
1 26 . 6 1 1 A 9 9 SER C C 9 174.410 174.039 0.371 1
1 27 . 6 1 1 A 9 9 SER CA C 9 57.701 57.664 0.037 1
1 28 . 6 1 1 A 9 9 SER CB C 9 63.909 65.306 -1.397 1
1 29 . 6 1 1 A 9 9 SER N N 9 115.299 115.457 -0.158 1
1 30 . 6 1 1 A 10 10 GLY H H 10 7.439 8.015 -0.576 1
1 31 . 6 1 1 A 10 10 GLY HA2 H 10 4.383 3.980 0.403 1
1 32 . 6 1 1 A 10 10 GLY HA3 H 10 3.951 3.994 -0.043 1
1 33 . 6 1 1 A 10 10 GLY C C 10 172.743 172.778 -0.035 1
1 34 . 6 1 1 A 10 10 GLY CA C 10 43.924 43.883 0.041 1
1 35 . 6 1 1 A 10 10 GLY N N 10 107.797 109.284 -1.487 1
1 36 . 6 1 1 A 11 11 PHE H H 11 7.534 8.097 -0.563 1
1 37 . 6 1 1 A 11 11 PHE HA H 11 5.519 5.326 0.193 1
1 44 . 6 1 1 A 11 11 PHE C C 11 173.822 173.448 0.374 1
1 45 . 6 1 1 A 11 11 PHE CA C 11 52.513 54.784 -2.271 1
1 46 . 6 1 1 A 11 11 PHE CB C 11 38.744 41.864 -3.120 1
1 51 . 6 1 1 A 11 11 PHE N N 11 115.246 115.864 -0.618 1
1 52 . 6 1 1 A 12 12 PRO HA H 12 4.285 4.722 -0.437 1
1 59 . 6 1 1 A 12 12 PRO C C 12 175.173 175.569 -0.396 1
1 60 . 6 1 1 A 12 12 PRO CA C 12 63.707 62.791 0.916 1
1 61 . 6 1 1 A 12 12 PRO CB C 12 32.344 33.236 -0.892 1
1 64 . 6 1 1 A 13 13 GLN H H 13 7.469 8.344 -0.875 1
1 65 . 6 1 1 A 13 13 GLN HA H 13 4.511 4.813 -0.302 1
1 72 . 6 1 1 A 13 13 GLN C C 13 175.349 175.213 0.136 1
1 73 . 6 1 1 A 13 13 GLN CA C 13 54.572 54.467 0.105 1
1 74 . 6 1 1 A 13 13 GLN CB C 13 32.848 31.558 1.290 1
1 76 . 6 1 1 A 13 13 GLN N N 13 120.555 119.086 1.469 1
1 78 . 6 1 1 A 14 14 ASN H H 14 8.978 8.886 0.092 1
1 79 . 6 1 1 A 14 14 ASN HA H 14 4.424 4.434 -0.010 1
1 84 . 6 1 1 A 14 14 ASN C C 14 174.770 173.926 0.844 1
1 85 . 6 1 1 A 14 14 ASN CA C 14 54.079 54.321 -0.242 1
1 86 . 6 1 1 A 14 14 ASN CB C 14 37.343 36.901 0.442 1
1 87 . 6 1 1 A 14 14 ASN N N 14 114.024 116.042 -2.018 1
1 89 . 6 1 1 A 15 15 LEU H H 15 8.437 7.984 0.453 1
1 90 . 6 1 1 A 15 15 LEU HA H 15 5.062 4.606 0.456 1
1 100 . 6 1 1 A 15 15 LEU C C 15 177.001 175.546 1.455 1
1 101 . 6 1 1 A 15 15 LEU CA C 15 56.667 55.081 1.586 1
1 102 . 6 1 1 A 15 15 LEU CB C 15 41.720 42.638 -0.918 1
1 106 . 6 1 1 A 15 15 LEU N N 15 121.843 121.907 -0.064 1
1 107 . 6 1 1 A 16 16 HIS H H 16 9.492 8.265 1.227 1
1 108 . 6 1 1 A 16 16 HIS HA H 16 4.987 5.195 -0.208 1
1 113 . 6 1 1 A 16 16 HIS C C 16 171.333 171.808 -0.475 1
1 114 . 6 1 1 A 16 16 HIS CA C 16 55.153 54.738 0.415 1
1 115 . 6 1 1 A 16 16 HIS CB C 16 30.515 31.821 -1.306 1
1 118 . 6 1 1 A 16 16 HIS N N 16 121.636 121.722 -0.086 1
1 119 . 6 1 1 A 17 17 VAL H H 17 8.606 8.664 -0.058 1
1 120 . 6 1 1 A 17 17 VAL HA H 17 4.663 4.982 -0.319 1
1 128 . 6 1 1 A 17 17 VAL C C 17 177.740 176.221 1.519 1
1 129 . 6 1 1 A 17 17 VAL CA C 17 61.771 59.788 1.983 1
1 130 . 6 1 1 A 17 17 VAL CB C 17 33.476 34.540 -1.064 1
1 133 . 6 1 1 A 17 17 VAL N N 17 120.868 119.967 0.901 1
1 134 . 6 1 1 A 18 18 THR H H 18 9.022 8.890 0.132 1
1 135 . 6 1 1 A 18 18 THR HA H 18 4.516 4.458 0.058 1
1 140 . 6 1 1 A 18 18 THR C C 18 174.913 174.630 0.283 1
1 141 . 6 1 1 A 18 18 THR CA C 18 61.472 63.310 -1.838 1
1 142 . 6 1 1 A 18 18 THR CB C 18 68.725 70.363 -1.638 1
1 144 . 6 1 1 A 18 18 THR N N 18 117.096 122.399 -5.303 1
1 145 . 6 1 1 A 19 19 GLY H H 19 7.443 7.383 0.060 1
1 146 . 6 1 1 A 19 19 GLY HA2 H 19 4.177 4.036 0.141 1
1 147 . 6 1 1 A 19 19 GLY HA3 H 19 3.909 4.044 -0.135 1
1 148 . 6 1 1 A 19 19 GLY C C 19 170.720 172.853 -2.133 1
1 149 . 6 1 1 A 19 19 GLY CA C 19 45.877 45.645 0.232 1
1 150 . 6 1 1 A 19 19 GLY N N 19 111.594 108.443 3.151 1
1 151 . 6 1 1 A 20 20 LEU H H 20 8.400 8.518 -0.118 1
1 152 . 6 1 1 A 20 20 LEU HA H 20 4.803 4.440 0.363 1
1 162 . 6 1 1 A 20 20 LEU C C 20 175.350 176.017 -0.667 1
1 163 . 6 1 1 A 20 20 LEU CA C 20 55.557 54.486 1.071 1
1 164 . 6 1 1 A 20 20 LEU CB C 20 46.554 43.461 3.093 1
1 168 . 6 1 1 A 20 20 LEU N N 20 121.661 120.615 1.046 1
1 169 . 6 1 1 A 21 21 THR H H 21 7.720 8.617 -0.897 1
1 170 . 6 1 1 A 21 21 THR HA H 21 4.900 4.696 0.204 1
1 175 . 6 1 1 A 21 21 THR C C 21 174.986 175.147 -0.161 1
1 176 . 6 1 1 A 21 21 THR CA C 21 61.049 60.994 0.055 1
1 177 . 6 1 1 A 21 21 THR CB C 21 71.081 72.957 -1.876 1
1 179 . 6 1 1 A 21 21 THR N N 21 112.043 112.696 -0.653 1
1 180 . 6 1 1 A 22 22 THR H H 22 7.782 8.811 -1.029 1
1 181 . 6 1 1 A 22 22 THR HA H 22 4.657 4.205 0.452 1
1 186 . 6 1 1 A 22 22 THR C C 22 174.110 175.976 -1.866 1
1 187 . 6 1 1 A 22 22 THR CA C 22 63.654 65.662 -2.008 1
1 188 . 6 1 1 A 22 22 THR CB C 22 69.834 68.394 1.440 1
1 190 . 6 1 1 A 22 22 THR N N 22 110.558 119.534 -8.976 1
1 191 . 6 1 1 A 23 23 SER H H 23 7.289 7.737 -0.448 1
1 192 . 6 1 1 A 23 23 SER HA H 23 4.717 4.635 0.082 1
1 195 . 6 1 1 A 23 23 SER C C 23 173.680 174.638 -0.958 1
1 196 . 6 1 1 A 23 23 SER CA C 23 57.212 58.990 -1.778 1
1 197 . 6 1 1 A 23 23 SER CB C 23 66.012 64.370 1.642 1
1 198 . 6 1 1 A 23 23 SER N N 23 107.116 113.156 -6.040 1
1 199 . 6 1 1 A 24 24 THR H H 24 7.174 7.624 -0.450 1
1 200 . 6 1 1 A 24 24 THR HA H 24 5.377 4.647 0.730 1
1 205 . 6 1 1 A 24 24 THR C C 24 176.427 173.498 2.929 1
1 206 . 6 1 1 A 24 24 THR CA C 24 58.656 60.470 -1.814 1
1 207 . 6 1 1 A 24 24 THR CB C 24 73.018 71.091 1.927 1
1 209 . 6 1 1 A 24 24 THR N N 24 111.053 112.327 -1.274 1
1 210 . 6 1 1 A 25 25 THR H H 25 8.180 8.300 -0.120 1
1 211 . 6 1 1 A 25 25 THR HA H 25 4.608 4.961 -0.353 1
1 216 . 6 1 1 A 25 25 THR C C 25 170.451 173.629 -3.178 1
1 217 . 6 1 1 A 25 25 THR CA C 25 63.619 61.650 1.969 1
1 218 . 6 1 1 A 25 25 THR CB C 25 75.464 71.596 3.868 1
1 220 . 6 1 1 A 25 25 THR N N 25 117.664 115.789 1.875 1
1 221 . 6 1 1 A 26 26 GLU H H 26 9.197 8.705 0.492 1
1 222 . 6 1 1 A 26 26 GLU HA H 26 4.706 4.474 0.232 1
1 227 . 6 1 1 A 26 26 GLU C C 26 174.626 175.757 -1.131 1
1 228 . 6 1 1 A 26 26 GLU CA C 26 55.751 57.214 -1.463 1
1 229 . 6 1 1 A 26 26 GLU CB C 26 30.917 30.638 0.279 1
1 231 . 6 1 1 A 26 26 GLU N N 26 130.706 126.862 3.844 1
1 232 . 6 1 1 A 27 27 LEU H H 27 9.001 8.505 0.496 1
1 233 . 6 1 1 A 27 27 LEU HA H 27 5.273 5.297 -0.024 1
1 243 . 6 1 1 A 27 27 LEU C C 27 176.770 175.719 1.051 1
1 244 . 6 1 1 A 27 27 LEU CA C 27 53.165 53.745 -0.580 1
1 245 . 6 1 1 A 27 27 LEU CB C 27 47.693 47.094 0.599 1
1 249 . 6 1 1 A 27 27 LEU N N 27 124.564 121.415 3.149 1
1 250 . 6 1 1 A 28 28 ALA H H 28 8.640 8.364 0.276 1
1 251 . 6 1 1 A 28 28 ALA HA H 28 4.577 4.688 -0.111 1
1 255 . 6 1 1 A 28 28 ALA C C 28 174.523 175.189 -0.666 1
1 256 . 6 1 1 A 28 28 ALA CA C 28 51.404 51.980 -0.576 1
1 257 . 6 1 1 A 28 28 ALA CB C 28 23.304 20.727 2.577 1
1 258 . 6 1 1 A 28 28 ALA N N 28 122.531 121.292 1.239 1
1 259 . 6 1 1 A 29 29 TRP H H 29 7.581 7.931 -0.350 1
1 260 . 6 1 1 A 29 29 TRP HA H 29 4.868 5.670 -0.802 1
1 269 . 6 1 1 A 29 29 TRP C C 29 172.280 173.264 -0.984 1
1 270 . 6 1 1 A 29 29 TRP CA C 29 56.948 54.503 2.445 1
1 271 . 6 1 1 A 29 29 TRP CB C 29 29.667 32.200 -2.533 1
1 277 . 6 1 1 A 29 29 TRP N N 29 115.551 120.891 -5.340 1
1 279 . 6 1 1 A 30 30 ASP H H 30 9.276 9.520 -0.244 1
1 280 . 6 1 1 A 30 30 ASP HA H 30 5.443 5.320 0.123 1
1 283 . 6 1 1 A 30 30 ASP C C 30 173.846 174.053 -0.207 1
1 284 . 6 1 1 A 30 30 ASP CA C 30 51.562 51.371 0.191 1
1 285 . 6 1 1 A 30 30 ASP CB C 30 42.533 43.439 -0.906 1
1 286 . 6 1 1 A 30 30 ASP N N 30 117.265 118.871 -1.606 1
1 287 . 6 1 1 A 31 31 PRO HA H 31 5.105 4.920 0.185 1
1 294 . 6 1 1 A 31 31 PRO CA C 31 61.905 61.510 0.395 1
1 295 . 6 1 1 A 31 31 PRO CB C 31 29.864 31.418 -1.554 1
1 298 . 6 1 1 A 32 32 PRO HA H 32 4.580 4.540 0.040 1
1 305 . 6 1 1 A 32 32 PRO CA C 32 62.036 62.792 -0.756 1
1 306 . 6 1 1 A 32 32 PRO CB C 32 30.840 32.256 -1.416 1
1 309 . 6 1 1 A 33 33 VAL H H 33 8.755 8.108 0.647 1
1 310 . 6 1 1 A 33 33 VAL HA H 33 3.994 4.212 -0.218 1
1 318 . 6 1 1 A 33 33 VAL CA C 33 62.553 62.370 0.183 1
1 319 . 6 1 1 A 33 33 VAL CB C 33 31.763 32.434 -0.671 1
1 322 . 6 1 1 A 33 33 VAL N N 33 120.113 119.673 0.440 1
1 323 . 6 1 1 A 34 34 LEU H H 34 8.469 8.727 -0.258 1
1 324 . 6 1 1 A 34 34 LEU HA H 34 3.768 3.874 -0.106 1
1 334 . 6 1 1 A 34 34 LEU CA C 34 58.809 58.055 0.754 1
1 335 . 6 1 1 A 34 34 LEU CB C 34 42.426 41.626 0.800 1
1 339 . 6 1 1 A 34 34 LEU N N 34 125.095 123.887 1.208 1
1 340 . 6 1 1 A 35 35 ALA H H 35 8.586 7.853 0.733 1
1 341 . 6 1 1 A 35 35 ALA HA H 35 4.171 4.119 0.052 1
1 345 . 6 1 1 A 35 35 ALA CA C 35 53.957 54.934 -0.977 1
1 346 . 6 1 1 A 35 35 ALA CB C 35 19.056 18.413 0.643 1
1 347 . 6 1 1 A 35 35 ALA N N 35 119.010 121.694 -2.684 1
1 348 . 6 1 1 A 36 36 GLU H H 36 8.070 8.118 -0.048 1
1 349 . 6 1 1 A 36 36 GLU HA H 36 4.305 4.529 -0.224 1
1 354 . 6 1 1 A 36 36 GLU CA C 36 55.527 55.871 -0.344 1
1 355 . 6 1 1 A 36 36 GLU CB C 36 29.845 29.330 0.515 1
1 357 . 6 1 1 A 36 36 GLU N N 36 115.604 114.632 0.972 1
1 358 . 6 1 1 A 37 37 ARG HA H 37 3.758 4.666 -0.908 1
1 365 . 6 1 1 A 37 37 ARG CA C 37 60.050 54.335 5.715 1
1 366 . 6 1 1 A 37 37 ARG CB C 37 30.804 30.374 0.430 1
1 369 . 6 1 1 A 37 37 ARG N N 37 122.198 120.229 1.969 1
1 370 . 6 1 1 A 38 38 ASN H H 38 8.093 8.518 -0.425 1
1 371 . 6 1 1 A 38 38 ASN HA H 38 4.291 4.397 -0.106 1
1 376 . 6 1 1 A 38 38 ASN C C 38 174.619 175.846 -1.227 1
1 377 . 6 1 1 A 38 38 ASN CA C 38 53.287 56.307 -3.020 1
1 378 . 6 1 1 A 38 38 ASN CB C 38 37.482 38.370 -0.888 1
1 379 . 6 1 1 A 38 38 ASN N N 38 109.319 123.993 -14.674 1
1 381 . 6 1 1 A 39 39 GLY H H 39 7.575 7.678 -0.103 1
1 382 . 6 1 1 A 39 39 GLY HA2 H 39 4.320 4.069 0.251 1
1 383 . 6 1 1 A 39 39 GLY HA3 H 39 3.697 4.071 -0.374 1
1 384 . 6 1 1 A 39 39 GLY C C 39 172.138 172.186 -0.048 1
1 385 . 6 1 1 A 39 39 GLY CA C 39 43.766 45.713 -1.947 1
1 386 . 6 1 1 A 39 39 GLY N N 39 105.607 103.672 1.935 1
1 387 . 6 1 1 A 40 40 ARG H H 40 8.180 8.685 -0.505 1
1 388 . 6 1 1 A 40 40 ARG HA H 40 4.333 5.084 -0.751 1
1 395 . 6 1 1 A 40 40 ARG C C 40 176.395 174.736 1.659 1
1 396 . 6 1 1 A 40 40 ARG CA C 40 55.453 54.376 1.077 1
1 397 . 6 1 1 A 40 40 ARG CB C 40 30.999 33.727 -2.728 1
1 400 . 6 1 1 A 40 40 ARG N N 40 119.566 120.386 -0.820 1
1 401 . 6 1 1 A 41 41 ILE H H 41 8.991 9.068 -0.077 1
1 402 . 6 1 1 A 41 41 ILE HA H 41 4.256 4.514 -0.258 1
1 412 . 6 1 1 A 41 41 ILE CA C 41 59.279 61.028 -1.749 1
1 413 . 6 1 1 A 41 41 ILE CB C 41 35.329 38.731 -3.402 1
1 417 . 6 1 1 A 41 41 ILE N N 41 127.226 123.093 4.133 1
1 418 . 6 1 1 A 42 42 ILE H H 42 8.721 8.893 -0.172 1
1 419 . 6 1 1 A 42 42 ILE HA H 42 4.475 4.537 -0.062 1
1 429 . 6 1 1 A 42 42 ILE C C 42 175.959 175.722 0.237 1
1 430 . 6 1 1 A 42 42 ILE CA C 42 61.208 61.174 0.034 1
1 431 . 6 1 1 A 42 42 ILE CB C 42 39.771 40.175 -0.404 1
1 435 . 6 1 1 A 42 42 ILE N N 42 122.018 120.624 1.394 1
1 436 . 6 1 1 A 43 43 SER H H 43 7.425 7.762 -0.337 1
1 437 . 6 1 1 A 43 43 SER HA H 43 4.555 4.975 -0.420 1
1 440 . 6 1 1 A 43 43 SER C C 43 170.232 171.573 -1.341 1
1 441 . 6 1 1 A 43 43 SER CA C 43 58.234 57.619 0.615 1
1 442 . 6 1 1 A 43 43 SER CB C 43 64.287 65.324 -1.037 1
1 443 . 6 1 1 A 43 43 SER N N 43 113.043 113.758 -0.715 1
1 444 . 6 1 1 A 44 44 TYR H H 44 9.297 8.357 0.940 1
1 445 . 6 1 1 A 44 44 TYR HA H 44 5.741 5.674 0.067 1
1 452 . 6 1 1 A 44 44 TYR C C 44 175.735 175.059 0.676 1
1 453 . 6 1 1 A 44 44 TYR CA C 44 57.137 56.575 0.562 1
1 454 . 6 1 1 A 44 44 TYR CB C 44 42.410 43.150 -0.740 1
1 459 . 6 1 1 A 44 44 TYR N N 44 116.157 118.569 -2.412 1
1 460 . 6 1 1 A 45 45 THR H H 45 8.778 8.826 -0.048 1
1 461 . 6 1 1 A 45 45 THR HA H 45 5.094 5.091 0.003 1
1 466 . 6 1 1 A 45 45 THR C C 45 173.026 173.461 -0.435 1
1 467 . 6 1 1 A 45 45 THR CA C 45 61.853 61.672 0.181 1
1 468 . 6 1 1 A 45 45 THR CB C 45 71.072 70.134 0.938 1
1 470 . 6 1 1 A 45 45 THR N N 45 114.801 116.650 -1.849 1
1 471 . 6 1 1 A 46 46 VAL H H 46 9.145 8.897 0.248 1
1 472 . 6 1 1 A 46 46 VAL HA H 46 4.244 4.602 -0.358 1
1 480 . 6 1 1 A 46 46 VAL C C 46 174.278 175.272 -0.994 1
1 481 . 6 1 1 A 46 46 VAL CA C 46 61.137 62.123 -0.986 1
1 482 . 6 1 1 A 46 46 VAL CB C 46 32.999 30.838 2.161 1
1 485 . 6 1 1 A 46 46 VAL N N 46 127.180 127.737 -0.557 1
1 486 . 6 1 1 A 47 47 VAL H H 47 9.041 8.869 0.172 1
1 487 . 6 1 1 A 47 47 VAL HA H 47 5.004 4.716 0.288 1
1 495 . 6 1 1 A 47 47 VAL C C 47 175.023 175.684 -0.661 1
1 496 . 6 1 1 A 47 47 VAL CA C 47 60.996 61.620 -0.624 1
1 497 . 6 1 1 A 47 47 VAL CB C 47 33.488 31.834 1.654 1
1 500 . 6 1 1 A 47 47 VAL N N 47 128.169 128.648 -0.479 1
1 501 . 6 1 1 A 48 48 PHE H H 48 9.169 9.236 -0.067 1
1 502 . 6 1 1 A 48 48 PHE HA H 48 6.209 6.249 -0.040 1
1 510 . 6 1 1 A 48 48 PHE C C 48 173.210 173.508 -0.298 1
1 511 . 6 1 1 A 48 48 PHE CA C 48 54.702 54.991 -0.289 1
1 512 . 6 1 1 A 48 48 PHE CB C 48 43.316 42.773 0.543 1
1 518 . 6 1 1 A 48 48 PHE N N 48 123.753 124.050 -0.297 1
1 519 . 6 1 1 A 49 49 ARG H H 49 8.693 8.768 -0.075 1
1 520 . 6 1 1 A 49 49 ARG HA H 49 4.817 4.698 0.119 1
1 528 . 6 1 1 A 49 49 ARG C C 49 175.280 173.965 1.315 1
1 529 . 6 1 1 A 49 49 ARG CA C 49 54.801 55.264 -0.463 1
1 530 . 6 1 1 A 49 49 ARG CB C 49 35.242 34.186 1.056 1
1 533 . 6 1 1 A 49 49 ARG N N 49 118.793 120.506 -1.713 1
1 535 . 6 1 1 A 50 50 ASP H H 50 8.820 8.836 -0.016 1
1 536 . 6 1 1 A 50 50 ASP HA H 50 4.029 4.539 -0.510 1
1 539 . 6 1 1 A 50 50 ASP C C 50 178.592 176.927 1.665 1
1 540 . 6 1 1 A 50 50 ASP CA C 50 53.498 53.676 -0.178 1
1 541 . 6 1 1 A 50 50 ASP CB C 50 40.543 41.034 -0.491 1
1 542 . 6 1 1 A 50 50 ASP N N 50 128.720 125.168 3.552 1
1 543 . 6 1 1 A 51 51 ILE H H 51 8.315 8.425 -0.110 1
1 544 . 6 1 1 A 51 51 ILE HA H 51 3.892 3.793 0.099 1
1 554 . 6 1 1 A 51 51 ILE C C 51 176.905 176.573 0.332 1
1 555 . 6 1 1 A 51 51 ILE CA C 51 64.569 63.242 1.327 1
1 556 . 6 1 1 A 51 51 ILE CB C 51 38.126 37.762 0.364 1
1 560 . 6 1 1 A 51 51 ILE N N 51 124.642 122.790 1.852 1
1 561 . 6 1 1 A 52 52 ASN H H 52 8.677 7.976 0.701 1
1 562 . 6 1 1 A 52 52 ASN HA H 52 4.760 4.774 -0.014 1
1 567 . 6 1 1 A 52 52 ASN C C 52 174.645 175.377 -0.732 1
1 568 . 6 1 1 A 52 52 ASN CA C 52 53.851 53.933 -0.082 1
1 569 . 6 1 1 A 52 52 ASN CB C 52 39.032 39.590 -0.558 1
1 570 . 6 1 1 A 52 52 ASN N N 52 119.201 118.662 0.539 1
1 572 . 6 1 1 A 53 53 SER H H 53 8.409 8.355 0.054 1
1 573 . 6 1 1 A 53 53 SER HA H 53 4.663 4.894 -0.231 1
1 576 . 6 1 1 A 53 53 SER C C 53 173.861 173.769 0.092 1
1 577 . 6 1 1 A 53 53 SER CA C 53 56.702 57.405 -0.703 1
1 578 . 6 1 1 A 53 53 SER CB C 53 65.730 66.250 -0.520 1
1 579 . 6 1 1 A 53 53 SER N N 53 116.494 114.703 1.791 1
1 580 . 6 1 1 A 54 54 GLN H H 54 8.489 8.437 0.052 1
1 581 . 6 1 1 A 54 54 GLN HA H 54 4.329 4.587 -0.258 1
1 588 . 6 1 1 A 54 54 GLN C C 54 175.789 175.261 0.528 1
1 589 . 6 1 1 A 54 54 GLN CA C 54 55.857 54.806 1.051 1
1 590 . 6 1 1 A 54 54 GLN CB C 54 28.847 28.291 0.556 1
1 592 . 6 1 1 A 54 54 GLN N N 54 119.700 118.617 1.083 1
1 594 . 6 1 1 A 55 55 GLN H H 55 8.108 7.700 0.408 1
1 595 . 6 1 1 A 55 55 GLN HA H 55 4.269 4.565 -0.296 1
1 602 . 6 1 1 A 55 55 GLN C C 55 174.076 174.708 -0.632 1
1 603 . 6 1 1 A 55 55 GLN CA C 55 55.689 54.906 0.783 1
1 604 . 6 1 1 A 55 55 GLN CB C 55 29.352 29.491 -0.139 1
1 606 . 6 1 1 A 55 55 GLN N N 55 120.355 121.758 -1.403 1
1 608 . 6 1 1 A 56 56 GLU H H 56 8.603 8.848 -0.245 1
1 609 . 6 1 1 A 56 56 GLU HA H 56 4.372 4.611 -0.239 1
1 614 . 6 1 1 A 56 56 GLU C C 56 175.058 175.498 -0.440 1
1 615 . 6 1 1 A 56 56 GLU CA C 56 55.594 56.519 -0.925 1
1 616 . 6 1 1 A 56 56 GLU CB C 56 31.640 30.641 0.999 1
1 618 . 6 1 1 A 56 56 GLU N N 56 126.250 128.882 -2.632 1
1 619 . 6 1 1 A 57 57 LEU H H 57 8.520 8.065 0.455 1
1 620 . 6 1 1 A 57 57 LEU HA H 57 4.458 4.752 -0.294 1
1 630 . 6 1 1 A 57 57 LEU C C 57 174.850 174.565 0.285 1
1 631 . 6 1 1 A 57 57 LEU CA C 57 53.780 53.211 0.569 1
1 632 . 6 1 1 A 57 57 LEU CB C 57 43.903 46.429 -2.526 1
1 636 . 6 1 1 A 57 57 LEU N N 57 127.205 126.202 1.003 1
1 637 . 6 1 1 A 58 58 GLN H H 58 7.992 8.695 -0.703 1
1 638 . 6 1 1 A 58 58 GLN HA H 58 5.865 5.649 0.216 1
1 645 . 6 1 1 A 58 58 GLN C C 58 175.948 173.515 2.433 1
1 646 . 6 1 1 A 58 58 GLN CA C 58 53.944 54.462 -0.518 1
1 647 . 6 1 1 A 58 58 GLN CB C 58 32.786 32.809 -0.023 1
1 649 . 6 1 1 A 58 58 GLN N N 58 113.562 118.143 -4.581 1
1 651 . 6 1 1 A 59 59 ASN H H 59 9.073 9.085 -0.012 1
1 652 . 6 1 1 A 59 59 ASN HA H 59 5.068 5.426 -0.358 1
1 657 . 6 1 1 A 59 59 ASN C C 59 172.790 174.049 -1.259 1
1 658 . 6 1 1 A 59 59 ASN CA C 59 53.023 51.621 1.402 1
1 659 . 6 1 1 A 59 59 ASN CB C 59 45.541 42.936 2.605 1
1 660 . 6 1 1 A 59 59 ASN N N 59 119.984 117.285 2.699 1
1 662 . 6 1 1 A 60 60 ILE H H 60 8.491 8.409 0.082 1
1 663 . 6 1 1 A 60 60 ILE HA H 60 5.147 5.129 0.018 1
1 673 . 6 1 1 A 60 60 ILE C C 60 175.088 174.370 0.718 1
1 674 . 6 1 1 A 60 60 ILE CA C 60 59.853 60.164 -0.311 1
1 675 . 6 1 1 A 60 60 ILE CB C 60 40.891 41.233 -0.342 1
1 679 . 6 1 1 A 60 60 ILE N N 60 119.480 120.383 -0.903 1
1 680 . 6 1 1 A 61 61 THR H H 61 8.755 8.478 0.277 1
1 681 . 6 1 1 A 61 61 THR HA H 61 4.976 5.170 -0.194 1
1 686 . 6 1 1 A 61 61 THR C C 61 172.097 174.055 -1.958 1
1 687 . 6 1 1 A 61 61 THR CA C 61 59.905 60.276 -0.371 1
1 688 . 6 1 1 A 61 61 THR CB C 61 69.505 71.686 -2.181 1
1 690 . 6 1 1 A 61 61 THR N N 61 118.083 120.020 -1.937 1
1 691 . 6 1 1 A 62 62 THR H H 62 8.325 8.598 -0.273 1
1 692 . 6 1 1 A 62 62 THR HA H 62 4.641 4.491 0.150 1
1 697 . 6 1 1 A 62 62 THR C C 62 174.386 173.622 0.764 1
1 698 . 6 1 1 A 62 62 THR CA C 62 62.440 62.264 0.176 1
1 699 . 6 1 1 A 62 62 THR CB C 62 69.355 68.759 0.596 1
1 701 . 6 1 1 A 62 62 THR N N 62 115.077 117.331 -2.254 1
1 702 . 6 1 1 A 63 63 ASP H H 63 8.611 7.357 1.254 1
1 703 . 6 1 1 A 63 63 ASP HA H 63 4.962 5.053 -0.091 1
1 706 . 6 1 1 A 63 63 ASP C C 63 172.906 176.799 -3.893 1
1 707 . 6 1 1 A 63 63 ASP CA C 63 52.981 53.110 -0.129 1
1 708 . 6 1 1 A 63 63 ASP CB C 63 43.465 44.257 -0.792 1
1 709 . 6 1 1 A 63 63 ASP N N 63 125.713 121.566 4.147 1
1 710 . 6 1 1 A 64 64 THR H H 64 7.925 8.312 -0.387 1
1 711 . 6 1 1 A 64 64 THR HA H 64 3.088 3.807 -0.719 1
1 716 . 6 1 1 A 64 64 THR C C 64 172.176 171.869 0.307 1
1 717 . 6 1 1 A 64 64 THR CA C 64 59.078 61.489 -2.411 1
1 718 . 6 1 1 A 64 64 THR CB C 64 66.137 68.186 -2.049 1
1 720 . 6 1 1 A 64 64 THR N N 64 104.287 112.512 -8.225 1
1 721 . 6 1 1 A 65 65 ARG H H 65 6.387 7.391 -1.004 1
1 722 . 6 1 1 A 65 65 ARG HA H 65 4.221 3.837 0.384 1
1 729 . 6 1 1 A 65 65 ARG C C 65 174.862 174.250 0.612 1
1 730 . 6 1 1 A 65 65 ARG CA C 65 54.132 53.511 0.621 1
1 731 . 6 1 1 A 65 65 ARG CB C 65 32.928 33.884 -0.956 1
1 734 . 6 1 1 A 65 65 ARG N N 65 115.062 118.625 -3.563 1
1 735 . 6 1 1 A 66 66 PHE H H 66 8.177 8.953 -0.776 1
1 736 . 6 1 1 A 66 66 PHE HA H 66 4.373 4.920 -0.547 1
1 744 . 6 1 1 A 66 66 PHE C C 66 172.804 172.958 -0.154 1
1 745 . 6 1 1 A 66 66 PHE CA C 66 59.536 58.188 1.348 1
1 746 . 6 1 1 A 66 66 PHE CB C 66 44.469 41.915 2.554 1
1 752 . 6 1 1 A 66 66 PHE N N 66 119.991 119.607 0.384 1
1 753 . 6 1 1 A 67 67 THR H H 67 7.332 7.523 -0.191 1
1 754 . 6 1 1 A 67 67 THR HA H 67 4.628 5.160 -0.532 1
1 759 . 6 1 1 A 67 67 THR C C 67 172.910 174.006 -1.096 1
1 760 . 6 1 1 A 67 67 THR CA C 67 61.261 61.100 0.161 1
1 761 . 6 1 1 A 67 67 THR CB C 67 69.260 71.055 -1.795 1
1 763 . 6 1 1 A 67 67 THR N N 67 123.294 118.184 5.110 1
1 764 . 6 1 1 A 68 68 LEU H H 68 8.776 8.997 -0.221 1
1 765 . 6 1 1 A 68 68 LEU HA H 68 4.192 4.316 -0.124 1
1 775 . 6 1 1 A 68 68 LEU C C 68 176.337 176.043 0.294 1
1 776 . 6 1 1 A 68 68 LEU CA C 68 54.394 54.782 -0.388 1
1 777 . 6 1 1 A 68 68 LEU CB C 68 42.394 42.346 0.048 1
1 781 . 6 1 1 A 68 68 LEU N N 68 126.969 127.913 -0.944 1
1 782 . 6 1 1 A 69 69 THR H H 69 7.921 8.285 -0.364 1
1 783 . 6 1 1 A 69 69 THR HA H 69 4.814 4.665 0.149 1
1 788 . 6 1 1 A 69 69 THR C C 69 173.856 173.552 0.304 1
1 789 . 6 1 1 A 69 69 THR CA C 69 59.694 60.572 -0.878 1
1 790 . 6 1 1 A 69 69 THR CB C 69 71.829 71.479 0.350 1
1 792 . 6 1 1 A 69 69 THR N N 69 111.246 111.583 -0.337 1
1 793 . 6 1 1 A 70 70 GLY H H 70 8.894 8.646 0.248 1
1 794 . 6 1 1 A 70 70 GLY HA2 H 70 3.930 3.856 0.074 1
1 795 . 6 1 1 A 70 70 GLY HA3 H 70 3.809 3.871 -0.062 1
1 796 . 6 1 1 A 70 70 GLY C C 70 175.589 174.284 1.305 1
1 797 . 6 1 1 A 70 70 GLY CA C 70 46.178 46.758 -0.580 1
1 798 . 6 1 1 A 70 70 GLY N N 70 107.415 112.179 -4.764 1
1 799 . 6 1 1 A 71 71 LEU H H 71 8.341 7.447 0.894 1
1 800 . 6 1 1 A 71 71 LEU HA H 71 4.195 4.815 -0.620 1
1 810 . 6 1 1 A 71 71 LEU C C 71 175.422 175.314 0.108 1
1 811 . 6 1 1 A 71 71 LEU CA C 71 53.429 53.012 0.417 1
1 812 . 6 1 1 A 71 71 LEU CB C 71 40.650 43.944 -3.294 1
1 816 . 6 1 1 A 71 71 LEU N N 71 118.621 119.983 -1.362 1
1 817 . 6 1 1 A 72 72 LYS H H 72 8.298 8.843 -0.545 1
1 818 . 6 1 1 A 72 72 LYS HA H 72 4.631 5.043 -0.412 1
1 827 . 6 1 1 A 72 72 LYS C C 72 174.599 175.262 -0.663 1
1 828 . 6 1 1 A 72 72 LYS CA C 72 53.851 53.647 0.204 1
1 829 . 6 1 1 A 72 72 LYS CB C 72 33.619 35.649 -2.030 1
1 833 . 6 1 1 A 72 72 LYS N N 72 121.340 121.842 -0.502 1
1 834 . 6 1 1 A 73 73 PRO HA H 73 5.086 4.738 0.348 1
1 841 . 6 1 1 A 73 73 PRO C C 73 178.198 177.229 0.969 1
1 842 . 6 1 1 A 73 73 PRO CA C 73 62.897 63.586 -0.689 1
1 843 . 6 1 1 A 73 73 PRO CB C 73 33.198 32.098 1.100 1
1 846 . 6 1 1 A 74 74 ASP H H 74 7.537 8.646 -1.109 1
1 847 . 6 1 1 A 74 74 ASP HA H 74 4.290 4.269 0.021 1
1 850 . 6 1 1 A 74 74 ASP C C 74 174.390 174.701 -0.311 1
1 851 . 6 1 1 A 74 74 ASP CA C 74 54.343 55.111 -0.768 1
1 852 . 6 1 1 A 74 74 ASP CB C 74 41.393 39.730 1.663 1
1 853 . 6 1 1 A 74 74 ASP N N 74 126.834 121.588 5.246 1
1 854 . 6 1 1 A 75 75 THR H H 75 8.197 7.210 0.987 1
1 855 . 6 1 1 A 75 75 THR HA H 75 4.316 4.805 -0.489 1
1 860 . 6 1 1 A 75 75 THR C C 75 172.076 173.572 -1.496 1
1 861 . 6 1 1 A 75 75 THR CA C 75 63.087 61.344 1.743 1
1 862 . 6 1 1 A 75 75 THR CB C 75 71.822 72.088 -0.266 1
1 864 . 6 1 1 A 75 75 THR N N 75 113.905 112.379 1.526 1
1 865 . 6 1 1 A 76 76 THR H H 76 8.606 8.692 -0.086 1
1 866 . 6 1 1 A 76 76 THR HA H 76 4.641 4.429 0.212 1
1 871 . 6 1 1 A 76 76 THR C C 76 172.308 173.915 -1.607 1
1 872 . 6 1 1 A 76 76 THR CA C 76 63.197 63.404 -0.207 1
1 873 . 6 1 1 A 76 76 THR CB C 76 68.333 69.016 -0.683 1
1 875 . 6 1 1 A 76 76 THR N N 76 124.170 121.690 2.480 1
1 876 . 6 1 1 A 77 77 TYR H H 77 9.230 8.886 0.344 1
1 877 . 6 1 1 A 77 77 TYR HA H 77 5.084 5.062 0.022 1
1 884 . 6 1 1 A 77 77 TYR C C 77 174.065 174.405 -0.340 1
1 885 . 6 1 1 A 77 77 TYR CA C 77 57.443 56.322 1.121 1
1 886 . 6 1 1 A 77 77 TYR CB C 77 41.115 39.775 1.340 1
1 891 . 6 1 1 A 77 77 TYR N N 77 125.729 126.598 -0.869 1
1 892 . 6 1 1 A 78 78 ASP H H 78 9.222 9.464 -0.242 1
1 893 . 6 1 1 A 78 78 ASP HA H 78 5.288 5.002 0.286 1
1 896 . 6 1 1 A 78 78 ASP C C 78 176.268 174.943 1.325 1
1 897 . 6 1 1 A 78 78 ASP CA C 78 53.565 54.491 -0.926 1
1 898 . 6 1 1 A 78 78 ASP CB C 78 44.874 41.060 3.814 1
1 899 . 6 1 1 A 78 78 ASP N N 78 124.016 125.618 -1.602 1
1 900 . 6 1 1 A 79 79 ILE H H 79 9.210 8.991 0.219 1
1 901 . 6 1 1 A 79 79 ILE HA H 79 5.027 5.337 -0.310 1
1 911 . 6 1 1 A 79 79 ILE C C 79 172.968 174.941 -1.973 1
1 912 . 6 1 1 A 79 79 ILE CA C 79 61.102 60.140 0.962 1
1 913 . 6 1 1 A 79 79 ILE CB C 79 41.830 40.260 1.570 1
1 917 . 6 1 1 A 79 79 ILE N N 79 127.527 127.548 -0.021 1
1 918 . 6 1 1 A 80 80 LYS H H 80 8.930 9.318 -0.388 1
1 919 . 6 1 1 A 80 80 LYS HA H 80 4.282 5.193 -0.911 1
1 928 . 6 1 1 A 80 80 LYS C C 80 173.716 174.317 -0.601 1
1 929 . 6 1 1 A 80 80 LYS CA C 80 54.749 54.065 0.684 1
1 930 . 6 1 1 A 80 80 LYS CB C 80 37.864 36.602 1.262 1
1 934 . 6 1 1 A 80 80 LYS N N 80 122.620 124.647 -2.027 1
1 935 . 6 1 1 A 81 81 VAL H H 81 8.070 8.769 -0.699 1
1 936 . 6 1 1 A 81 81 VAL HA H 81 5.365 4.936 0.429 1
1 944 . 6 1 1 A 81 81 VAL C C 81 174.099 173.547 0.552 1
1 945 . 6 1 1 A 81 81 VAL CA C 81 59.228 59.573 -0.345 1
1 946 . 6 1 1 A 81 81 VAL CB C 81 36.108 34.892 1.216 1
1 949 . 6 1 1 A 81 81 VAL N N 81 115.045 118.821 -3.776 1
1 950 . 6 1 1 A 82 82 ARG H H 82 8.733 8.871 -0.138 1
1 951 . 6 1 1 A 82 82 ARG HA H 82 4.984 5.081 -0.097 1
1 959 . 6 1 1 A 82 82 ARG C C 82 172.874 174.702 -1.828 1
1 960 . 6 1 1 A 82 82 ARG CA C 82 53.552 54.845 -1.293 1
1 961 . 6 1 1 A 82 82 ARG CB C 82 34.521 33.945 0.576 1
1 964 . 6 1 1 A 82 82 ARG N N 82 122.032 123.245 -1.213 1
1 966 . 6 1 1 A 83 83 ALA H H 83 9.221 8.629 0.592 1
1 967 . 6 1 1 A 83 83 ALA HA H 83 5.132 3.784 1.348 1
1 971 . 6 1 1 A 83 83 ALA C C 83 174.998 177.076 -2.078 1
1 972 . 6 1 1 A 83 83 ALA CA C 83 50.383 51.977 -1.594 1
1 973 . 6 1 1 A 83 83 ALA CB C 83 23.472 19.602 3.870 1
1 974 . 6 1 1 A 83 83 ALA N N 83 124.044 125.619 -1.575 1
1 975 . 6 1 1 A 84 84 TRP H H 84 8.387 8.663 -0.276 1
1 976 . 6 1 1 A 84 84 TRP HA H 84 5.020 5.213 -0.193 1
1 985 . 6 1 1 A 84 84 TRP C C 84 177.430 175.687 1.743 1
1 986 . 6 1 1 A 84 84 TRP CA C 84 56.807 56.300 0.507 1
1 987 . 6 1 1 A 84 84 TRP CB C 84 31.235 33.455 -2.220 1
1 993 . 6 1 1 A 84 84 TRP N N 84 117.779 120.365 -2.586 1
1 995 . 6 1 1 A 85 85 THR H H 85 8.698 8.668 0.030 1
1 996 . 6 1 1 A 85 85 THR HA H 85 5.190 5.186 0.004 1
1 1001 . 6 1 1 A 85 85 THR C C 85 176.429 175.637 0.792 1
1 1002 . 6 1 1 A 85 85 THR CA C 85 59.958 59.822 0.136 1
1 1003 . 6 1 1 A 85 85 THR CB C 85 72.646 72.017 0.629 1
1 1005 . 6 1 1 A 85 85 THR N N 85 111.404 114.371 -2.967 1
1 1006 . 6 1 1 A 86 86 SER H H 86 9.765 9.288 0.477 1
1 1007 . 6 1 1 A 86 86 SER HA H 86 4.242 4.191 0.051 1
1 1010 . 6 1 1 A 86 86 SER C C 86 174.834 176.531 -1.697 1
1 1011 . 6 1 1 A 86 86 SER CA C 86 61.014 61.219 -0.205 1
1 1012 . 6 1 1 A 86 86 SER CB C 86 62.807 62.743 0.064 1
1 1013 . 6 1 1 A 86 86 SER N N 86 115.745 117.748 -2.003 1
1 1014 . 6 1 1 A 87 87 LYS H H 87 7.947 7.900 0.047 1
1 1015 . 6 1 1 A 87 87 LYS HA H 87 4.426 4.227 0.199 1
1 1024 . 6 1 1 A 87 87 LYS C C 87 176.373 177.161 -0.788 1
1 1025 . 6 1 1 A 87 87 LYS CA C 87 55.857 58.898 -3.041 1
1 1026 . 6 1 1 A 87 87 LYS CB C 87 33.386 32.989 0.397 1
1 1030 . 6 1 1 A 87 87 LYS N N 87 118.254 118.981 -0.727 1
1 1031 . 6 1 1 A 88 88 GLY H H 88 7.400 7.030 0.370 1
1 1032 . 6 1 1 A 88 88 GLY HA2 H 88 4.446 4.111 0.335 1
1 1033 . 6 1 1 A 88 88 GLY HA3 H 88 3.990 4.257 -0.267 1
1 1034 . 6 1 1 A 88 88 GLY C C 88 171.366 171.486 -0.120 1
1 1035 . 6 1 1 A 88 88 GLY CA C 88 45.006 46.197 -1.191 1
1 1036 . 6 1 1 A 88 88 GLY N N 88 106.086 104.068 2.018 1
1 1037 . 6 1 1 A 89 89 SER H H 89 8.048 8.218 -0.170 1
1 1038 . 6 1 1 A 89 89 SER HA H 89 3.899 4.475 -0.576 1
1 1041 . 6 1 1 A 89 89 SER CA C 89 56.522 55.482 1.040 1
1 1042 . 6 1 1 A 89 89 SER CB C 89 63.965 65.209 -1.244 1
1 1043 . 6 1 1 A 89 89 SER N N 89 113.549 116.704 -3.155 1
1 1044 . 6 1 1 A 90 90 GLY H H 90 8.282 7.832 0.450 1
1 1045 . 6 1 1 A 90 90 GLY HA2 H 90 4.637 4.032 0.605 1
1 1046 . 6 1 1 A 90 90 GLY HA3 H 90 3.696 4.043 -0.347 1
1 1047 . 6 1 1 A 90 90 GLY CA C 90 44.399 44.374 0.025 1
1 1048 . 6 1 1 A 90 90 GLY N N 90 109.030 110.025 -0.995 1
1 1049 . 6 1 1 A 91 91 PRO HA H 91 4.448 4.539 -0.091 1
1 1056 . 6 1 1 A 91 91 PRO C C 91 177.760 175.122 2.638 1
1 1057 . 6 1 1 A 91 91 PRO CA C 91 62.229 62.520 -0.291 1
1 1058 . 6 1 1 A 91 91 PRO CB C 91 32.367 33.261 -0.894 1
1 1061 . 6 1 1 A 92 92 LEU H H 92 8.373 8.337 0.036 1
1 1062 . 6 1 1 A 92 92 LEU HA H 92 4.110 4.724 -0.614 1
1 1072 . 6 1 1 A 92 92 LEU C C 92 176.841 176.413 0.428 1
1 1073 . 6 1 1 A 92 92 LEU CA C 92 55.163 53.461 1.702 1
1 1074 . 6 1 1 A 92 92 LEU CB C 92 43.188 43.348 -0.160 1
1 1078 . 6 1 1 A 92 92 LEU N N 92 121.096 122.008 -0.912 1
1 1079 . 6 1 1 A 93 93 SER H H 93 8.629 9.146 -0.517 1
1 1080 . 6 1 1 A 93 93 SER HA H 93 3.683 4.246 -0.563 1
1 1083 . 6 1 1 A 93 93 SER C C 93 171.637 173.708 -2.071 1
1 1084 . 6 1 1 A 93 93 SER CA C 93 56.900 56.904 -0.004 1
1 1085 . 6 1 1 A 93 93 SER CB C 93 62.923 62.789 0.134 1
1 1086 . 6 1 1 A 93 93 SER N N 93 116.072 121.069 -4.997 1
1 1087 . 6 1 1 A 94 94 PRO HA H 94 4.330 4.509 -0.179 1
1 1094 . 6 1 1 A 94 94 PRO C C 94 178.093 176.779 1.314 1
1 1095 . 6 1 1 A 94 94 PRO CA C 94 63.309 62.632 0.677 1
1 1096 . 6 1 1 A 94 94 PRO CB C 94 31.463 31.625 -0.162 1
1 1099 . 6 1 1 A 95 95 SER H H 95 8.722 8.498 0.224 1
1 1100 . 6 1 1 A 95 95 SER HA H 95 4.923 4.678 0.245 1
1 1103 . 6 1 1 A 95 95 SER C C 95 176.215 175.151 1.064 1
1 1104 . 6 1 1 A 95 95 SER CA C 95 58.955 58.721 0.234 1
1 1105 . 6 1 1 A 95 95 SER CB C 95 64.884 63.813 1.071 1
1 1106 . 6 1 1 A 95 95 SER N N 95 122.184 117.631 4.553 1
1 1107 . 6 1 1 A 96 96 ILE H H 96 8.915 8.690 0.225 1
1 1108 . 6 1 1 A 96 96 ILE HA H 96 4.609 4.530 0.079 1
1 1118 . 6 1 1 A 96 96 ILE C C 96 174.546 176.296 -1.750 1
1 1119 . 6 1 1 A 96 96 ILE CA C 96 59.782 61.174 -1.392 1
1 1120 . 6 1 1 A 96 96 ILE CB C 96 40.995 39.908 1.087 1
1 1124 . 6 1 1 A 96 96 ILE N N 96 115.463 123.087 -7.624 1
1 1125 . 6 1 1 A 97 97 GLN H H 97 8.292 7.388 0.904 1
1 1126 . 6 1 1 A 97 97 GLN HA H 97 5.849 3.956 1.893 1
1 1133 . 6 1 1 A 97 97 GLN C C 97 176.173 174.567 1.606 1
1 1134 . 6 1 1 A 97 97 GLN CA C 97 54.361 56.850 -2.489 1
1 1135 . 6 1 1 A 97 97 GLN CB C 97 31.102 26.464 4.638 1
1 1137 . 6 1 1 A 97 97 GLN N N 97 117.686 118.021 -0.335 1
1 1139 . 6 1 1 A 98 98 SER H H 98 8.751 7.818 0.933 1
1 1140 . 6 1 1 A 98 98 SER HA H 98 4.618 4.562 0.056 1
1 1143 . 6 1 1 A 98 98 SER C C 98 172.310 173.539 -1.229 1
1 1144 . 6 1 1 A 98 98 SER CA C 98 57.019 58.024 -1.005 1
1 1145 . 6 1 1 A 98 98 SER CB C 98 64.588 63.355 1.233 1
1 1146 . 6 1 1 A 98 98 SER N N 98 115.969 113.215 2.754 1
1 1147 . 6 1 1 A 99 99 ARG H H 99 8.519 8.802 -0.283 1
1 1148 . 6 1 1 A 99 99 ARG HA H 99 5.627 4.969 0.658 1
1 1156 . 6 1 1 A 99 99 ARG C C 99 176.394 175.863 0.531 1
1 1157 . 6 1 1 A 99 99 ARG CA C 99 53.705 55.901 -2.196 1
1 1158 . 6 1 1 A 99 99 ARG CB C 99 32.853 31.049 1.804 1
1 1161 . 6 1 1 A 99 99 ARG N N 99 132.343 129.543 2.800 1
1 1163 . 6 1 1 A 100 100 THR H H 100 8.808 8.198 0.610 1
1 1164 . 6 1 1 A 100 100 THR HA H 100 4.182 4.309 -0.127 1
1 1169 . 6 1 1 A 100 100 THR C C 100 175.465 174.429 1.036 1
1 1170 . 6 1 1 A 100 100 THR CA C 100 61.701 62.600 -0.899 1
1 1171 . 6 1 1 A 100 100 THR CB C 100 69.515 69.849 -0.334 1
1 1173 . 6 1 1 A 100 100 THR N N 100 116.147 118.565 -2.418 1
1 1174 . 6 1 1 A 101 101 MET H H 101 7.254 8.569 -1.315 1
1 1175 . 6 1 1 A 101 101 MET HA H 101 4.504 4.646 -0.142 1
1 1183 . 6 1 1 A 101 101 MET C C 101 174.574 175.361 -0.787 1
1 1184 . 6 1 1 A 101 101 MET CA C 101 54.324 54.026 0.298 1
1 1185 . 6 1 1 A 101 101 MET CB C 101 32.235 32.272 -0.037 1
1 1188 . 6 1 1 A 101 101 MET N N 101 117.475 121.460 -3.985 1
1 1189 . 6 1 1 A 102 102 PRO HA H 102 4.647 4.695 -0.048 1
1 1196 . 6 1 1 A 102 102 PRO CA C 102 62.553 62.627 -0.074 1
1 1197 . 6 1 1 A 102 102 PRO CB C 102 32.011 31.450 0.561 1
1 1 . 7 1 1 A 6 6 SER HA H 6 4.535 4.003 0.532 1
1 4 . 7 1 1 A 6 6 SER CA C 6 58.104 59.376 -1.272 1
1 5 . 7 1 1 A 6 6 SER CB C 6 64.201 61.608 2.593 1
1 6 . 7 1 1 A 7 7 GLY H H 7 7.998 8.146 -0.148 1
1 7 . 7 1 1 A 7 7 GLY HA2 H 7 3.978 3.919 0.059 1
1 8 . 7 1 1 A 7 7 GLY HA3 H 7 3.515 3.969 -0.454 1
1 9 . 7 1 1 A 7 7 GLY CA C 7 44.050 44.018 0.032 1
1 10 . 7 1 1 A 7 7 GLY N N 7 108.741 108.198 0.543 1
1 11 . 7 1 1 A 8 8 PRO HA H 8 4.324 4.570 -0.246 1
1 18 . 7 1 1 A 8 8 PRO CA C 8 63.624 62.799 0.825 1
1 19 . 7 1 1 A 8 8 PRO CB C 8 32.235 32.428 -0.193 1
1 22 . 7 1 1 A 9 9 SER H H 9 8.323 8.589 -0.266 1
1 23 . 7 1 1 A 9 9 SER HA H 9 4.512 4.715 -0.203 1
1 26 . 7 1 1 A 9 9 SER C C 9 174.410 173.888 0.522 1
1 27 . 7 1 1 A 9 9 SER CA C 9 57.701 57.307 0.394 1
1 28 . 7 1 1 A 9 9 SER CB C 9 63.909 63.883 0.026 1
1 29 . 7 1 1 A 9 9 SER N N 9 115.299 117.255 -1.956 1
1 30 . 7 1 1 A 10 10 GLY H H 10 7.439 7.619 -0.180 1
1 31 . 7 1 1 A 10 10 GLY HA2 H 10 4.383 4.026 0.357 1
1 32 . 7 1 1 A 10 10 GLY HA3 H 10 3.951 4.087 -0.136 1
1 33 . 7 1 1 A 10 10 GLY C C 10 172.743 172.458 0.285 1
1 34 . 7 1 1 A 10 10 GLY CA C 10 43.924 45.310 -1.386 1
1 35 . 7 1 1 A 10 10 GLY N N 10 107.797 109.691 -1.894 1
1 36 . 7 1 1 A 11 11 PHE H H 11 7.534 8.098 -0.564 1
1 37 . 7 1 1 A 11 11 PHE HA H 11 5.519 5.491 0.028 1
1 44 . 7 1 1 A 11 11 PHE C C 11 173.822 173.309 0.513 1
1 45 . 7 1 1 A 11 11 PHE CA C 11 52.513 55.550 -3.037 1
1 46 . 7 1 1 A 11 11 PHE CB C 11 38.744 42.506 -3.762 1
1 51 . 7 1 1 A 11 11 PHE N N 11 115.246 114.977 0.269 1
1 52 . 7 1 1 A 12 12 PRO HA H 12 4.285 4.706 -0.421 1
1 59 . 7 1 1 A 12 12 PRO C C 12 175.173 175.522 -0.349 1
1 60 . 7 1 1 A 12 12 PRO CA C 12 63.707 62.652 1.055 1
1 61 . 7 1 1 A 12 12 PRO CB C 12 32.344 33.509 -1.165 1
1 64 . 7 1 1 A 13 13 GLN H H 13 7.469 8.606 -1.137 1
1 65 . 7 1 1 A 13 13 GLN HA H 13 4.511 4.813 -0.302 1
1 72 . 7 1 1 A 13 13 GLN C C 13 175.349 175.175 0.174 1
1 73 . 7 1 1 A 13 13 GLN CA C 13 54.572 54.461 0.111 1
1 74 . 7 1 1 A 13 13 GLN CB C 13 32.848 31.577 1.271 1
1 76 . 7 1 1 A 13 13 GLN N N 13 120.555 119.100 1.455 1
1 78 . 7 1 1 A 14 14 ASN H H 14 8.978 8.876 0.102 1
1 79 . 7 1 1 A 14 14 ASN HA H 14 4.424 4.394 0.030 1
1 84 . 7 1 1 A 14 14 ASN C C 14 174.770 173.802 0.968 1
1 85 . 7 1 1 A 14 14 ASN CA C 14 54.079 54.118 -0.039 1
1 86 . 7 1 1 A 14 14 ASN CB C 14 37.343 37.076 0.267 1
1 87 . 7 1 1 A 14 14 ASN N N 14 114.024 116.163 -2.139 1
1 89 . 7 1 1 A 15 15 LEU H H 15 8.437 7.976 0.461 1
1 90 . 7 1 1 A 15 15 LEU HA H 15 5.062 4.765 0.297 1
1 100 . 7 1 1 A 15 15 LEU C C 15 177.001 175.322 1.679 1
1 101 . 7 1 1 A 15 15 LEU CA C 15 56.667 54.501 2.166 1
1 102 . 7 1 1 A 15 15 LEU CB C 15 41.720 42.388 -0.668 1
1 106 . 7 1 1 A 15 15 LEU N N 15 121.843 121.497 0.346 1
1 107 . 7 1 1 A 16 16 HIS H H 16 9.492 7.813 1.679 1
1 108 . 7 1 1 A 16 16 HIS HA H 16 4.987 5.163 -0.176 1
1 113 . 7 1 1 A 16 16 HIS C C 16 171.333 171.748 -0.415 1
1 114 . 7 1 1 A 16 16 HIS CA C 16 55.153 54.388 0.765 1
1 115 . 7 1 1 A 16 16 HIS CB C 16 30.515 31.852 -1.337 1
1 118 . 7 1 1 A 16 16 HIS N N 16 121.636 121.318 0.318 1
1 119 . 7 1 1 A 17 17 VAL H H 17 8.606 8.654 -0.048 1
1 120 . 7 1 1 A 17 17 VAL HA H 17 4.663 4.835 -0.172 1
1 128 . 7 1 1 A 17 17 VAL C C 17 177.740 176.138 1.602 1
1 129 . 7 1 1 A 17 17 VAL CA C 17 61.771 59.668 2.103 1
1 130 . 7 1 1 A 17 17 VAL CB C 17 33.476 34.378 -0.902 1
1 133 . 7 1 1 A 17 17 VAL N N 17 120.868 120.116 0.752 1
1 134 . 7 1 1 A 18 18 THR H H 18 9.022 8.911 0.111 1
1 135 . 7 1 1 A 18 18 THR HA H 18 4.516 4.531 -0.015 1
1 140 . 7 1 1 A 18 18 THR C C 18 174.913 174.498 0.415 1
1 141 . 7 1 1 A 18 18 THR CA C 18 61.472 62.949 -1.477 1
1 142 . 7 1 1 A 18 18 THR CB C 18 68.725 70.384 -1.659 1
1 144 . 7 1 1 A 18 18 THR N N 18 117.096 121.264 -4.168 1
1 145 . 7 1 1 A 19 19 GLY H H 19 7.443 7.338 0.105 1
1 146 . 7 1 1 A 19 19 GLY HA2 H 19 4.177 4.067 0.110 1
1 147 . 7 1 1 A 19 19 GLY HA3 H 19 3.909 4.073 -0.164 1
1 148 . 7 1 1 A 19 19 GLY C C 19 170.720 172.709 -1.989 1
1 149 . 7 1 1 A 19 19 GLY CA C 19 45.877 45.737 0.140 1
1 150 . 7 1 1 A 19 19 GLY N N 19 111.594 108.462 3.132 1
1 151 . 7 1 1 A 20 20 LEU H H 20 8.400 8.374 0.026 1
1 152 . 7 1 1 A 20 20 LEU HA H 20 4.803 4.416 0.387 1
1 162 . 7 1 1 A 20 20 LEU C C 20 175.350 175.959 -0.609 1
1 163 . 7 1 1 A 20 20 LEU CA C 20 55.557 54.391 1.166 1
1 164 . 7 1 1 A 20 20 LEU CB C 20 46.554 43.353 3.201 1
1 168 . 7 1 1 A 20 20 LEU N N 20 121.661 120.451 1.210 1
1 169 . 7 1 1 A 21 21 THR H H 21 7.720 8.463 -0.743 1
1 170 . 7 1 1 A 21 21 THR HA H 21 4.900 4.656 0.244 1
1 175 . 7 1 1 A 21 21 THR C C 21 174.986 175.104 -0.118 1
1 176 . 7 1 1 A 21 21 THR CA C 21 61.049 61.088 -0.039 1
1 177 . 7 1 1 A 21 21 THR CB C 21 71.081 72.546 -1.465 1
1 179 . 7 1 1 A 21 21 THR N N 21 112.043 112.492 -0.449 1
1 180 . 7 1 1 A 22 22 THR H H 22 7.782 8.756 -0.974 1
1 181 . 7 1 1 A 22 22 THR HA H 22 4.657 4.177 0.480 1
1 186 . 7 1 1 A 22 22 THR C C 22 174.110 176.008 -1.898 1
1 187 . 7 1 1 A 22 22 THR CA C 22 63.654 65.651 -1.997 1
1 188 . 7 1 1 A 22 22 THR CB C 22 69.834 68.403 1.431 1
1 190 . 7 1 1 A 22 22 THR N N 22 110.558 119.592 -9.034 1
1 191 . 7 1 1 A 23 23 SER H H 23 7.289 7.661 -0.372 1
1 192 . 7 1 1 A 23 23 SER HA H 23 4.717 4.803 -0.086 1
1 195 . 7 1 1 A 23 23 SER C C 23 173.680 174.291 -0.611 1
1 196 . 7 1 1 A 23 23 SER CA C 23 57.212 60.439 -3.227 1
1 197 . 7 1 1 A 23 23 SER CB C 23 66.012 64.469 1.543 1
1 198 . 7 1 1 A 23 23 SER N N 23 107.116 115.211 -8.095 1
1 199 . 7 1 1 A 24 24 THR H H 24 7.174 7.643 -0.469 1
1 200 . 7 1 1 A 24 24 THR HA H 24 5.377 4.766 0.611 1
1 205 . 7 1 1 A 24 24 THR C C 24 176.427 173.382 3.045 1
1 206 . 7 1 1 A 24 24 THR CA C 24 58.656 59.941 -1.285 1
1 207 . 7 1 1 A 24 24 THR CB C 24 73.018 71.439 1.579 1
1 209 . 7 1 1 A 24 24 THR N N 24 111.053 112.024 -0.971 1
1 210 . 7 1 1 A 25 25 THR H H 25 8.180 8.397 -0.217 1
1 211 . 7 1 1 A 25 25 THR HA H 25 4.608 4.908 -0.300 1
1 216 . 7 1 1 A 25 25 THR C C 25 170.451 173.349 -2.898 1
1 217 . 7 1 1 A 25 25 THR CA C 25 63.619 61.498 2.121 1
1 218 . 7 1 1 A 25 25 THR CB C 25 75.464 71.604 3.860 1
1 220 . 7 1 1 A 25 25 THR N N 25 117.664 116.010 1.654 1
1 221 . 7 1 1 A 26 26 GLU H H 26 9.197 8.651 0.546 1
1 222 . 7 1 1 A 26 26 GLU HA H 26 4.706 4.692 0.014 1
1 227 . 7 1 1 A 26 26 GLU C C 26 174.626 175.590 -0.964 1
1 228 . 7 1 1 A 26 26 GLU CA C 26 55.751 56.730 -0.979 1
1 229 . 7 1 1 A 26 26 GLU CB C 26 30.917 31.422 -0.505 1
1 231 . 7 1 1 A 26 26 GLU N N 26 130.706 126.658 4.048 1
1 232 . 7 1 1 A 27 27 LEU H H 27 9.001 8.501 0.500 1
1 233 . 7 1 1 A 27 27 LEU HA H 27 5.273 5.198 0.075 1
1 243 . 7 1 1 A 27 27 LEU C C 27 176.770 175.649 1.121 1
1 244 . 7 1 1 A 27 27 LEU CA C 27 53.165 53.600 -0.435 1
1 245 . 7 1 1 A 27 27 LEU CB C 27 47.693 47.117 0.576 1
1 249 . 7 1 1 A 27 27 LEU N N 27 124.564 120.907 3.657 1
1 250 . 7 1 1 A 28 28 ALA H H 28 8.640 8.523 0.117 1
1 251 . 7 1 1 A 28 28 ALA HA H 28 4.577 4.794 -0.217 1
1 255 . 7 1 1 A 28 28 ALA C C 28 174.523 175.236 -0.713 1
1 256 . 7 1 1 A 28 28 ALA CA C 28 51.404 51.966 -0.562 1
1 257 . 7 1 1 A 28 28 ALA CB C 28 23.304 20.848 2.456 1
1 258 . 7 1 1 A 28 28 ALA N N 28 122.531 121.336 1.195 1
1 259 . 7 1 1 A 29 29 TRP H H 29 7.581 8.104 -0.523 1
1 260 . 7 1 1 A 29 29 TRP HA H 29 4.868 5.582 -0.714 1
1 269 . 7 1 1 A 29 29 TRP C C 29 172.280 172.925 -0.645 1
1 270 . 7 1 1 A 29 29 TRP CA C 29 56.948 54.726 2.222 1
1 271 . 7 1 1 A 29 29 TRP CB C 29 29.667 32.235 -2.568 1
1 277 . 7 1 1 A 29 29 TRP N N 29 115.551 120.581 -5.030 1
1 279 . 7 1 1 A 30 30 ASP H H 30 9.276 9.145 0.131 1
1 280 . 7 1 1 A 30 30 ASP HA H 30 5.443 4.997 0.446 1
1 283 . 7 1 1 A 30 30 ASP C C 30 173.846 173.625 0.221 1
1 284 . 7 1 1 A 30 30 ASP CA C 30 51.562 50.849 0.713 1
1 285 . 7 1 1 A 30 30 ASP CB C 30 42.533 42.337 0.196 1
1 286 . 7 1 1 A 30 30 ASP N N 30 117.265 120.099 -2.834 1
1 287 . 7 1 1 A 31 31 PRO HA H 31 5.105 4.904 0.201 1
1 294 . 7 1 1 A 31 31 PRO CA C 31 61.905 61.515 0.390 1
1 295 . 7 1 1 A 31 31 PRO CB C 31 29.864 31.408 -1.544 1
1 298 . 7 1 1 A 32 32 PRO HA H 32 4.580 4.481 0.099 1
1 305 . 7 1 1 A 32 32 PRO CA C 32 62.036 62.563 -0.527 1
1 306 . 7 1 1 A 32 32 PRO CB C 32 30.840 32.042 -1.202 1
1 309 . 7 1 1 A 33 33 VAL H H 33 8.755 7.824 0.931 1
1 310 . 7 1 1 A 33 33 VAL HA H 33 3.994 4.271 -0.277 1
1 318 . 7 1 1 A 33 33 VAL CA C 33 62.553 61.819 0.734 1
1 319 . 7 1 1 A 33 33 VAL CB C 33 31.763 32.562 -0.799 1
1 322 . 7 1 1 A 33 33 VAL N N 33 120.113 119.083 1.030 1
1 323 . 7 1 1 A 34 34 LEU H H 34 8.469 8.763 -0.294 1
1 324 . 7 1 1 A 34 34 LEU HA H 34 3.768 4.006 -0.238 1
1 334 . 7 1 1 A 34 34 LEU CA C 34 58.809 57.521 1.288 1
1 335 . 7 1 1 A 34 34 LEU CB C 34 42.426 41.382 1.044 1
1 339 . 7 1 1 A 34 34 LEU N N 34 125.095 123.655 1.440 1
1 340 . 7 1 1 A 35 35 ALA H H 35 8.586 7.975 0.611 1
1 341 . 7 1 1 A 35 35 ALA HA H 35 4.171 4.014 0.157 1
1 345 . 7 1 1 A 35 35 ALA CA C 35 53.957 55.329 -1.372 1
1 346 . 7 1 1 A 35 35 ALA CB C 35 19.056 18.100 0.956 1
1 347 . 7 1 1 A 35 35 ALA N N 35 119.010 122.402 -3.392 1
1 348 . 7 1 1 A 36 36 GLU H H 36 8.070 7.965 0.105 1
1 349 . 7 1 1 A 36 36 GLU HA H 36 4.305 4.096 0.209 1
1 354 . 7 1 1 A 36 36 GLU CA C 36 55.527 59.024 -3.497 1
1 355 . 7 1 1 A 36 36 GLU CB C 36 29.845 29.116 0.729 1
1 357 . 7 1 1 A 36 36 GLU N N 36 115.604 115.109 0.495 1
1 358 . 7 1 1 A 37 37 ARG HA H 37 3.758 4.269 -0.511 1
1 365 . 7 1 1 A 37 37 ARG CA C 37 60.050 56.765 3.285 1
1 366 . 7 1 1 A 37 37 ARG CB C 37 30.804 30.865 -0.061 1
1 369 . 7 1 1 A 37 37 ARG N N 37 122.198 121.164 1.034 1
1 370 . 7 1 1 A 38 38 ASN H H 38 8.093 8.831 -0.738 1
1 371 . 7 1 1 A 38 38 ASN HA H 38 4.291 4.758 -0.467 1
1 376 . 7 1 1 A 38 38 ASN C C 38 174.619 175.764 -1.145 1
1 377 . 7 1 1 A 38 38 ASN CA C 38 53.287 54.584 -1.297 1
1 378 . 7 1 1 A 38 38 ASN CB C 38 37.482 39.711 -2.229 1
1 379 . 7 1 1 A 38 38 ASN N N 38 109.319 124.152 -14.833 1
1 381 . 7 1 1 A 39 39 GLY H H 39 7.575 7.592 -0.017 1
1 382 . 7 1 1 A 39 39 GLY HA2 H 39 4.320 4.032 0.288 1
1 383 . 7 1 1 A 39 39 GLY HA3 H 39 3.697 4.033 -0.336 1
1 384 . 7 1 1 A 39 39 GLY C C 39 172.138 171.832 0.306 1
1 385 . 7 1 1 A 39 39 GLY CA C 39 43.766 45.990 -2.224 1
1 386 . 7 1 1 A 39 39 GLY N N 39 105.607 104.152 1.455 1
1 387 . 7 1 1 A 40 40 ARG H H 40 8.180 8.399 -0.219 1
1 388 . 7 1 1 A 40 40 ARG HA H 40 4.333 5.117 -0.784 1
1 395 . 7 1 1 A 40 40 ARG C C 40 176.395 174.612 1.783 1
1 396 . 7 1 1 A 40 40 ARG CA C 40 55.453 54.059 1.394 1
1 397 . 7 1 1 A 40 40 ARG CB C 40 30.999 34.918 -3.919 1
1 400 . 7 1 1 A 40 40 ARG N N 40 119.566 121.607 -2.041 1
1 401 . 7 1 1 A 41 41 ILE H H 41 8.991 9.028 -0.037 1
1 402 . 7 1 1 A 41 41 ILE HA H 41 4.256 4.616 -0.360 1
1 412 . 7 1 1 A 41 41 ILE CA C 41 59.279 60.207 -0.928 1
1 413 . 7 1 1 A 41 41 ILE CB C 41 35.329 40.509 -5.180 1
1 417 . 7 1 1 A 41 41 ILE N N 41 127.226 122.396 4.830 1
1 418 . 7 1 1 A 42 42 ILE H H 42 8.721 8.642 0.079 1
1 419 . 7 1 1 A 42 42 ILE HA H 42 4.475 4.515 -0.040 1
1 429 . 7 1 1 A 42 42 ILE C C 42 175.959 175.579 0.380 1
1 430 . 7 1 1 A 42 42 ILE CA C 42 61.208 61.253 -0.045 1
1 431 . 7 1 1 A 42 42 ILE CB C 42 39.771 40.176 -0.405 1
1 435 . 7 1 1 A 42 42 ILE N N 42 122.018 120.504 1.514 1
1 436 . 7 1 1 A 43 43 SER H H 43 7.425 7.727 -0.302 1
1 437 . 7 1 1 A 43 43 SER HA H 43 4.555 4.961 -0.406 1
1 440 . 7 1 1 A 43 43 SER C C 43 170.232 171.593 -1.361 1
1 441 . 7 1 1 A 43 43 SER CA C 43 58.234 57.601 0.633 1
1 442 . 7 1 1 A 43 43 SER CB C 43 64.287 65.321 -1.034 1
1 443 . 7 1 1 A 43 43 SER N N 43 113.043 113.955 -0.912 1
1 444 . 7 1 1 A 44 44 TYR H H 44 9.297 8.706 0.591 1
1 445 . 7 1 1 A 44 44 TYR HA H 44 5.741 5.864 -0.123 1
1 452 . 7 1 1 A 44 44 TYR C C 44 175.735 175.283 0.452 1
1 453 . 7 1 1 A 44 44 TYR CA C 44 57.137 56.436 0.701 1
1 454 . 7 1 1 A 44 44 TYR CB C 44 42.410 43.157 -0.747 1
1 459 . 7 1 1 A 44 44 TYR N N 44 116.157 118.613 -2.456 1
1 460 . 7 1 1 A 45 45 THR H H 45 8.778 8.777 0.001 1
1 461 . 7 1 1 A 45 45 THR HA H 45 5.094 5.243 -0.149 1
1 466 . 7 1 1 A 45 45 THR C C 45 173.026 173.440 -0.414 1
1 467 . 7 1 1 A 45 45 THR CA C 45 61.853 61.591 0.262 1
1 468 . 7 1 1 A 45 45 THR CB C 45 71.072 70.546 0.526 1
1 470 . 7 1 1 A 45 45 THR N N 45 114.801 116.241 -1.440 1
1 471 . 7 1 1 A 46 46 VAL H H 46 9.145 8.871 0.274 1
1 472 . 7 1 1 A 46 46 VAL HA H 46 4.244 4.761 -0.517 1
1 480 . 7 1 1 A 46 46 VAL C C 46 174.278 175.337 -1.059 1
1 481 . 7 1 1 A 46 46 VAL CA C 46 61.137 62.273 -1.136 1
1 482 . 7 1 1 A 46 46 VAL CB C 46 32.999 31.041 1.958 1
1 485 . 7 1 1 A 46 46 VAL N N 46 127.180 127.748 -0.568 1
1 486 . 7 1 1 A 47 47 VAL H H 47 9.041 8.856 0.185 1
1 487 . 7 1 1 A 47 47 VAL HA H 47 5.004 4.580 0.424 1
1 495 . 7 1 1 A 47 47 VAL C C 47 175.023 175.603 -0.580 1
1 496 . 7 1 1 A 47 47 VAL CA C 47 60.996 62.203 -1.207 1
1 497 . 7 1 1 A 47 47 VAL CB C 47 33.488 31.400 2.088 1
1 500 . 7 1 1 A 47 47 VAL N N 47 128.169 128.442 -0.273 1
1 501 . 7 1 1 A 48 48 PHE H H 48 9.169 9.025 0.144 1
1 502 . 7 1 1 A 48 48 PHE HA H 48 6.209 6.068 0.141 1
1 510 . 7 1 1 A 48 48 PHE C C 48 173.210 173.683 -0.473 1
1 511 . 7 1 1 A 48 48 PHE CA C 48 54.702 55.085 -0.383 1
1 512 . 7 1 1 A 48 48 PHE CB C 48 43.316 42.661 0.655 1
1 518 . 7 1 1 A 48 48 PHE N N 48 123.753 124.656 -0.903 1
1 519 . 7 1 1 A 49 49 ARG H H 49 8.693 8.711 -0.018 1
1 520 . 7 1 1 A 49 49 ARG HA H 49 4.817 4.723 0.094 1
1 528 . 7 1 1 A 49 49 ARG C C 49 175.280 174.087 1.193 1
1 529 . 7 1 1 A 49 49 ARG CA C 49 54.801 55.237 -0.436 1
1 530 . 7 1 1 A 49 49 ARG CB C 49 35.242 33.988 1.254 1
1 533 . 7 1 1 A 49 49 ARG N N 49 118.793 120.906 -2.113 1
1 535 . 7 1 1 A 50 50 ASP H H 50 8.820 8.764 0.056 1
1 536 . 7 1 1 A 50 50 ASP HA H 50 4.029 4.399 -0.370 1
1 539 . 7 1 1 A 50 50 ASP C C 50 178.592 177.045 1.547 1
1 540 . 7 1 1 A 50 50 ASP CA C 50 53.498 53.786 -0.288 1
1 541 . 7 1 1 A 50 50 ASP CB C 50 40.543 41.185 -0.642 1
1 542 . 7 1 1 A 50 50 ASP N N 50 128.720 125.667 3.053 1
1 543 . 7 1 1 A 51 51 ILE H H 51 8.315 8.396 -0.081 1
1 544 . 7 1 1 A 51 51 ILE HA H 51 3.892 3.808 0.084 1
1 554 . 7 1 1 A 51 51 ILE C C 51 176.905 176.568 0.337 1
1 555 . 7 1 1 A 51 51 ILE CA C 51 64.569 63.256 1.313 1
1 556 . 7 1 1 A 51 51 ILE CB C 51 38.126 37.764 0.362 1
1 560 . 7 1 1 A 51 51 ILE N N 51 124.642 122.692 1.950 1
1 561 . 7 1 1 A 52 52 ASN H H 52 8.677 7.919 0.758 1
1 562 . 7 1 1 A 52 52 ASN HA H 52 4.760 4.789 -0.029 1
1 567 . 7 1 1 A 52 52 ASN C C 52 174.645 175.253 -0.608 1
1 568 . 7 1 1 A 52 52 ASN CA C 52 53.851 53.825 0.026 1
1 569 . 7 1 1 A 52 52 ASN CB C 52 39.032 39.488 -0.456 1
1 570 . 7 1 1 A 52 52 ASN N N 52 119.201 118.846 0.355 1
1 572 . 7 1 1 A 53 53 SER H H 53 8.409 8.301 0.108 1
1 573 . 7 1 1 A 53 53 SER HA H 53 4.663 4.880 -0.217 1
1 576 . 7 1 1 A 53 53 SER C C 53 173.861 173.846 0.015 1
1 577 . 7 1 1 A 53 53 SER CA C 53 56.702 57.386 -0.684 1
1 578 . 7 1 1 A 53 53 SER CB C 53 65.730 66.591 -0.861 1
1 579 . 7 1 1 A 53 53 SER N N 53 116.494 114.822 1.672 1
1 580 . 7 1 1 A 54 54 GLN H H 54 8.489 8.475 0.014 1
1 581 . 7 1 1 A 54 54 GLN HA H 54 4.329 4.527 -0.198 1
1 588 . 7 1 1 A 54 54 GLN C C 54 175.789 175.280 0.509 1
1 589 . 7 1 1 A 54 54 GLN CA C 54 55.857 54.987 0.870 1
1 590 . 7 1 1 A 54 54 GLN CB C 54 28.847 28.815 0.032 1
1 592 . 7 1 1 A 54 54 GLN N N 54 119.700 118.531 1.169 1
1 594 . 7 1 1 A 55 55 GLN H H 55 8.108 7.670 0.438 1
1 595 . 7 1 1 A 55 55 GLN HA H 55 4.269 4.602 -0.333 1
1 602 . 7 1 1 A 55 55 GLN C C 55 174.076 174.646 -0.570 1
1 603 . 7 1 1 A 55 55 GLN CA C 55 55.689 55.107 0.582 1
1 604 . 7 1 1 A 55 55 GLN CB C 55 29.352 29.903 -0.551 1
1 606 . 7 1 1 A 55 55 GLN N N 55 120.355 121.749 -1.394 1
1 608 . 7 1 1 A 56 56 GLU H H 56 8.603 8.833 -0.230 1
1 609 . 7 1 1 A 56 56 GLU HA H 56 4.372 4.783 -0.411 1
1 614 . 7 1 1 A 56 56 GLU C C 56 175.058 175.345 -0.287 1
1 615 . 7 1 1 A 56 56 GLU CA C 56 55.594 55.998 -0.404 1
1 616 . 7 1 1 A 56 56 GLU CB C 56 31.640 31.088 0.552 1
1 618 . 7 1 1 A 56 56 GLU N N 56 126.250 128.711 -2.461 1
1 619 . 7 1 1 A 57 57 LEU H H 57 8.520 8.056 0.464 1
1 620 . 7 1 1 A 57 57 LEU HA H 57 4.458 4.764 -0.306 1
1 630 . 7 1 1 A 57 57 LEU C C 57 174.850 174.539 0.311 1
1 631 . 7 1 1 A 57 57 LEU CA C 57 53.780 53.144 0.636 1
1 632 . 7 1 1 A 57 57 LEU CB C 57 43.903 46.321 -2.418 1
1 636 . 7 1 1 A 57 57 LEU N N 57 127.205 125.707 1.498 1
1 637 . 7 1 1 A 58 58 GLN H H 58 7.992 8.677 -0.685 1
1 638 . 7 1 1 A 58 58 GLN HA H 58 5.865 5.587 0.278 1
1 645 . 7 1 1 A 58 58 GLN C C 58 175.948 173.674 2.274 1
1 646 . 7 1 1 A 58 58 GLN CA C 58 53.944 54.455 -0.511 1
1 647 . 7 1 1 A 58 58 GLN CB C 58 32.786 32.671 0.115 1
1 649 . 7 1 1 A 58 58 GLN N N 58 113.562 118.039 -4.477 1
1 651 . 7 1 1 A 59 59 ASN H H 59 9.073 8.831 0.242 1
1 652 . 7 1 1 A 59 59 ASN HA H 59 5.068 5.323 -0.255 1
1 657 . 7 1 1 A 59 59 ASN C C 59 172.790 174.109 -1.319 1
1 658 . 7 1 1 A 59 59 ASN CA C 59 53.023 51.659 1.364 1
1 659 . 7 1 1 A 59 59 ASN CB C 59 45.541 42.752 2.789 1
1 660 . 7 1 1 A 59 59 ASN N N 59 119.984 117.282 2.702 1
1 662 . 7 1 1 A 60 60 ILE H H 60 8.491 8.388 0.103 1
1 663 . 7 1 1 A 60 60 ILE HA H 60 5.147 5.125 0.022 1
1 673 . 7 1 1 A 60 60 ILE C C 60 175.088 174.523 0.565 1
1 674 . 7 1 1 A 60 60 ILE CA C 60 59.853 60.181 -0.328 1
1 675 . 7 1 1 A 60 60 ILE CB C 60 40.891 41.300 -0.409 1
1 679 . 7 1 1 A 60 60 ILE N N 60 119.480 120.293 -0.813 1
1 680 . 7 1 1 A 61 61 THR H H 61 8.755 8.390 0.365 1
1 681 . 7 1 1 A 61 61 THR HA H 61 4.976 5.046 -0.070 1
1 686 . 7 1 1 A 61 61 THR C C 61 172.097 174.939 -2.842 1
1 687 . 7 1 1 A 61 61 THR CA C 61 59.905 60.958 -1.053 1
1 688 . 7 1 1 A 61 61 THR CB C 61 69.505 72.386 -2.881 1
1 690 . 7 1 1 A 61 61 THR N N 61 118.083 119.246 -1.163 1
1 691 . 7 1 1 A 62 62 THR H H 62 8.325 8.816 -0.491 1
1 692 . 7 1 1 A 62 62 THR HA H 62 4.641 4.233 0.408 1
1 697 . 7 1 1 A 62 62 THR C C 62 174.386 174.830 -0.444 1
1 698 . 7 1 1 A 62 62 THR CA C 62 62.440 64.558 -2.118 1
1 699 . 7 1 1 A 62 62 THR CB C 62 69.355 68.583 0.772 1
1 701 . 7 1 1 A 62 62 THR N N 62 115.077 121.051 -5.974 1
1 702 . 7 1 1 A 63 63 ASP H H 63 8.611 7.737 0.874 1
1 703 . 7 1 1 A 63 63 ASP HA H 63 4.962 4.900 0.062 1
1 706 . 7 1 1 A 63 63 ASP C C 63 172.906 176.635 -3.729 1
1 707 . 7 1 1 A 63 63 ASP CA C 63 52.981 52.867 0.114 1
1 708 . 7 1 1 A 63 63 ASP CB C 63 43.465 41.746 1.719 1
1 709 . 7 1 1 A 63 63 ASP N N 63 125.713 122.367 3.346 1
1 710 . 7 1 1 A 64 64 THR H H 64 7.925 8.278 -0.353 1
1 711 . 7 1 1 A 64 64 THR HA H 64 3.088 3.690 -0.602 1
1 716 . 7 1 1 A 64 64 THR C C 64 172.176 171.693 0.483 1
1 717 . 7 1 1 A 64 64 THR CA C 64 59.078 61.418 -2.340 1
1 718 . 7 1 1 A 64 64 THR CB C 64 66.137 68.089 -1.952 1
1 720 . 7 1 1 A 64 64 THR N N 64 104.287 112.635 -8.348 1
1 721 . 7 1 1 A 65 65 ARG H H 65 6.387 7.403 -1.016 1
1 722 . 7 1 1 A 65 65 ARG HA H 65 4.221 3.959 0.262 1
1 729 . 7 1 1 A 65 65 ARG C C 65 174.862 174.265 0.597 1
1 730 . 7 1 1 A 65 65 ARG CA C 65 54.132 53.616 0.516 1
1 731 . 7 1 1 A 65 65 ARG CB C 65 32.928 33.902 -0.974 1
1 734 . 7 1 1 A 65 65 ARG N N 65 115.062 118.612 -3.550 1
1 735 . 7 1 1 A 66 66 PHE H H 66 8.177 9.033 -0.856 1
1 736 . 7 1 1 A 66 66 PHE HA H 66 4.373 4.962 -0.589 1
1 744 . 7 1 1 A 66 66 PHE C C 66 172.804 173.204 -0.400 1
1 745 . 7 1 1 A 66 66 PHE CA C 66 59.536 58.154 1.382 1
1 746 . 7 1 1 A 66 66 PHE CB C 66 44.469 41.807 2.662 1
1 752 . 7 1 1 A 66 66 PHE N N 66 119.991 120.482 -0.491 1
1 753 . 7 1 1 A 67 67 THR H H 67 7.332 7.203 0.129 1
1 754 . 7 1 1 A 67 67 THR HA H 67 4.628 5.261 -0.633 1
1 759 . 7 1 1 A 67 67 THR C C 67 172.910 173.825 -0.915 1
1 760 . 7 1 1 A 67 67 THR CA C 67 61.261 61.281 -0.020 1
1 761 . 7 1 1 A 67 67 THR CB C 67 69.260 71.206 -1.946 1
1 763 . 7 1 1 A 67 67 THR N N 67 123.294 116.413 6.881 1
1 764 . 7 1 1 A 68 68 LEU H H 68 8.776 9.140 -0.364 1
1 765 . 7 1 1 A 68 68 LEU HA H 68 4.192 4.242 -0.050 1
1 775 . 7 1 1 A 68 68 LEU C C 68 176.337 175.885 0.452 1
1 776 . 7 1 1 A 68 68 LEU CA C 68 54.394 54.697 -0.303 1
1 777 . 7 1 1 A 68 68 LEU CB C 68 42.394 42.331 0.063 1
1 781 . 7 1 1 A 68 68 LEU N N 68 126.969 127.822 -0.853 1
1 782 . 7 1 1 A 69 69 THR H H 69 7.921 8.263 -0.342 1
1 783 . 7 1 1 A 69 69 THR HA H 69 4.814 4.666 0.148 1
1 788 . 7 1 1 A 69 69 THR C C 69 173.856 173.577 0.279 1
1 789 . 7 1 1 A 69 69 THR CA C 69 59.694 60.538 -0.844 1
1 790 . 7 1 1 A 69 69 THR CB C 69 71.829 71.475 0.354 1
1 792 . 7 1 1 A 69 69 THR N N 69 111.246 111.363 -0.117 1
1 793 . 7 1 1 A 70 70 GLY H H 70 8.894 8.644 0.250 1
1 794 . 7 1 1 A 70 70 GLY HA2 H 70 3.930 3.854 0.076 1
1 795 . 7 1 1 A 70 70 GLY HA3 H 70 3.809 3.878 -0.069 1
1 796 . 7 1 1 A 70 70 GLY C C 70 175.589 174.558 1.031 1
1 797 . 7 1 1 A 70 70 GLY CA C 70 46.178 46.827 -0.649 1
1 798 . 7 1 1 A 70 70 GLY N N 70 107.415 112.245 -4.830 1
1 799 . 7 1 1 A 71 71 LEU H H 71 8.341 7.853 0.488 1
1 800 . 7 1 1 A 71 71 LEU HA H 71 4.195 4.879 -0.684 1
1 810 . 7 1 1 A 71 71 LEU C C 71 175.422 175.238 0.184 1
1 811 . 7 1 1 A 71 71 LEU CA C 71 53.429 53.225 0.204 1
1 812 . 7 1 1 A 71 71 LEU CB C 71 40.650 43.487 -2.837 1
1 816 . 7 1 1 A 71 71 LEU N N 71 118.621 120.266 -1.645 1
1 817 . 7 1 1 A 72 72 LYS H H 72 8.298 9.327 -1.029 1
1 818 . 7 1 1 A 72 72 LYS HA H 72 4.631 4.617 0.014 1
1 827 . 7 1 1 A 72 72 LYS C C 72 174.599 175.519 -0.920 1
1 828 . 7 1 1 A 72 72 LYS CA C 72 53.851 54.051 -0.200 1
1 829 . 7 1 1 A 72 72 LYS CB C 72 33.619 33.914 -0.295 1
1 833 . 7 1 1 A 72 72 LYS N N 72 121.340 122.341 -1.001 1
1 834 . 7 1 1 A 73 73 PRO HA H 73 5.086 4.716 0.370 1
1 841 . 7 1 1 A 73 73 PRO C C 73 178.198 177.208 0.990 1
1 842 . 7 1 1 A 73 73 PRO CA C 73 62.897 63.528 -0.631 1
1 843 . 7 1 1 A 73 73 PRO CB C 73 33.198 32.110 1.088 1
1 846 . 7 1 1 A 74 74 ASP H H 74 7.537 9.016 -1.479 1
1 847 . 7 1 1 A 74 74 ASP HA H 74 4.290 4.279 0.011 1
1 850 . 7 1 1 A 74 74 ASP C C 74 174.390 174.710 -0.320 1
1 851 . 7 1 1 A 74 74 ASP CA C 74 54.343 55.177 -0.834 1
1 852 . 7 1 1 A 74 74 ASP CB C 74 41.393 39.782 1.611 1
1 853 . 7 1 1 A 74 74 ASP N N 74 126.834 121.632 5.202 1
1 854 . 7 1 1 A 75 75 THR H H 75 8.197 7.225 0.972 1
1 855 . 7 1 1 A 75 75 THR HA H 75 4.316 4.928 -0.612 1
1 860 . 7 1 1 A 75 75 THR C C 75 172.076 173.351 -1.275 1
1 861 . 7 1 1 A 75 75 THR CA C 75 63.087 61.295 1.792 1
1 862 . 7 1 1 A 75 75 THR CB C 75 71.822 72.409 -0.587 1
1 864 . 7 1 1 A 75 75 THR N N 75 113.905 112.454 1.451 1
1 865 . 7 1 1 A 76 76 THR H H 76 8.606 8.842 -0.236 1
1 866 . 7 1 1 A 76 76 THR HA H 76 4.641 4.459 0.182 1
1 871 . 7 1 1 A 76 76 THR C C 76 172.308 174.001 -1.693 1
1 872 . 7 1 1 A 76 76 THR CA C 76 63.197 63.311 -0.114 1
1 873 . 7 1 1 A 76 76 THR CB C 76 68.333 69.415 -1.082 1
1 875 . 7 1 1 A 76 76 THR N N 76 124.170 121.251 2.919 1
1 876 . 7 1 1 A 77 77 TYR H H 77 9.230 8.909 0.321 1
1 877 . 7 1 1 A 77 77 TYR HA H 77 5.084 5.030 0.054 1
1 884 . 7 1 1 A 77 77 TYR C C 77 174.065 174.393 -0.328 1
1 885 . 7 1 1 A 77 77 TYR CA C 77 57.443 56.358 1.085 1
1 886 . 7 1 1 A 77 77 TYR CB C 77 41.115 40.395 0.720 1
1 891 . 7 1 1 A 77 77 TYR N N 77 125.729 125.833 -0.104 1
1 892 . 7 1 1 A 78 78 ASP H H 78 9.222 9.384 -0.162 1
1 893 . 7 1 1 A 78 78 ASP HA H 78 5.288 4.792 0.496 1
1 896 . 7 1 1 A 78 78 ASP C C 78 176.268 174.772 1.496 1
1 897 . 7 1 1 A 78 78 ASP CA C 78 53.565 54.162 -0.597 1
1 898 . 7 1 1 A 78 78 ASP CB C 78 44.874 40.691 4.183 1
1 899 . 7 1 1 A 78 78 ASP N N 78 124.016 125.444 -1.428 1
1 900 . 7 1 1 A 79 79 ILE H H 79 9.210 8.580 0.630 1
1 901 . 7 1 1 A 79 79 ILE HA H 79 5.027 5.254 -0.227 1
1 911 . 7 1 1 A 79 79 ILE C C 79 172.968 174.743 -1.775 1
1 912 . 7 1 1 A 79 79 ILE CA C 79 61.102 59.870 1.232 1
1 913 . 7 1 1 A 79 79 ILE CB C 79 41.830 40.321 1.509 1
1 917 . 7 1 1 A 79 79 ILE N N 79 127.527 127.293 0.234 1
1 918 . 7 1 1 A 80 80 LYS H H 80 8.930 8.998 -0.068 1
1 919 . 7 1 1 A 80 80 LYS HA H 80 4.282 5.069 -0.787 1
1 928 . 7 1 1 A 80 80 LYS C C 80 173.716 174.271 -0.555 1
1 929 . 7 1 1 A 80 80 LYS CA C 80 54.749 53.985 0.764 1
1 930 . 7 1 1 A 80 80 LYS CB C 80 37.864 36.686 1.178 1
1 934 . 7 1 1 A 80 80 LYS N N 80 122.620 124.492 -1.872 1
1 935 . 7 1 1 A 81 81 VAL H H 81 8.070 8.815 -0.745 1
1 936 . 7 1 1 A 81 81 VAL HA H 81 5.365 4.960 0.405 1
1 944 . 7 1 1 A 81 81 VAL C C 81 174.099 173.629 0.470 1
1 945 . 7 1 1 A 81 81 VAL CA C 81 59.228 59.458 -0.230 1
1 946 . 7 1 1 A 81 81 VAL CB C 81 36.108 35.008 1.100 1
1 949 . 7 1 1 A 81 81 VAL N N 81 115.045 119.246 -4.201 1
1 950 . 7 1 1 A 82 82 ARG H H 82 8.733 8.892 -0.159 1
1 951 . 7 1 1 A 82 82 ARG HA H 82 4.984 5.117 -0.133 1
1 959 . 7 1 1 A 82 82 ARG C C 82 172.874 174.244 -1.370 1
1 960 . 7 1 1 A 82 82 ARG CA C 82 53.552 54.749 -1.197 1
1 961 . 7 1 1 A 82 82 ARG CB C 82 34.521 33.913 0.608 1
1 964 . 7 1 1 A 82 82 ARG N N 82 122.032 123.159 -1.127 1
1 966 . 7 1 1 A 83 83 ALA H H 83 9.221 8.494 0.727 1
1 967 . 7 1 1 A 83 83 ALA HA H 83 5.132 4.404 0.728 1
1 971 . 7 1 1 A 83 83 ALA C C 83 174.998 176.683 -1.685 1
1 972 . 7 1 1 A 83 83 ALA CA C 83 50.383 51.121 -0.738 1
1 973 . 7 1 1 A 83 83 ALA CB C 83 23.472 20.500 2.972 1
1 974 . 7 1 1 A 83 83 ALA N N 83 124.044 124.210 -0.166 1
1 975 . 7 1 1 A 84 84 TRP H H 84 8.387 8.697 -0.310 1
1 976 . 7 1 1 A 84 84 TRP HA H 84 5.020 5.414 -0.394 1
1 985 . 7 1 1 A 84 84 TRP C C 84 177.430 175.337 2.093 1
1 986 . 7 1 1 A 84 84 TRP CA C 84 56.807 56.162 0.645 1
1 987 . 7 1 1 A 84 84 TRP CB C 84 31.235 32.622 -1.387 1
1 993 . 7 1 1 A 84 84 TRP N N 84 117.779 120.375 -2.596 1
1 995 . 7 1 1 A 85 85 THR H H 85 8.698 8.973 -0.275 1
1 996 . 7 1 1 A 85 85 THR HA H 85 5.190 5.241 -0.051 1
1 1001 . 7 1 1 A 85 85 THR C C 85 176.429 175.910 0.519 1
1 1002 . 7 1 1 A 85 85 THR CA C 85 59.958 59.808 0.150 1
1 1003 . 7 1 1 A 85 85 THR CB C 85 72.646 71.801 0.845 1
1 1005 . 7 1 1 A 85 85 THR N N 85 111.404 113.087 -1.683 1
1 1006 . 7 1 1 A 86 86 SER H H 86 9.765 9.275 0.490 1
1 1007 . 7 1 1 A 86 86 SER HA H 86 4.242 4.061 0.181 1
1 1010 . 7 1 1 A 86 86 SER C C 86 174.834 176.787 -1.953 1
1 1011 . 7 1 1 A 86 86 SER CA C 86 61.014 62.306 -1.292 1
1 1012 . 7 1 1 A 86 86 SER CB C 86 62.807 63.000 -0.193 1
1 1013 . 7 1 1 A 86 86 SER N N 86 115.745 119.566 -3.821 1
1 1014 . 7 1 1 A 87 87 LYS H H 87 7.947 7.860 0.087 1
1 1015 . 7 1 1 A 87 87 LYS HA H 87 4.426 4.223 0.203 1
1 1024 . 7 1 1 A 87 87 LYS C C 87 176.373 177.042 -0.669 1
1 1025 . 7 1 1 A 87 87 LYS CA C 87 55.857 58.729 -2.872 1
1 1026 . 7 1 1 A 87 87 LYS CB C 87 33.386 33.001 0.385 1
1 1030 . 7 1 1 A 87 87 LYS N N 87 118.254 119.272 -1.018 1
1 1031 . 7 1 1 A 88 88 GLY H H 88 7.400 7.034 0.366 1
1 1032 . 7 1 1 A 88 88 GLY HA2 H 88 4.446 4.135 0.311 1
1 1033 . 7 1 1 A 88 88 GLY HA3 H 88 3.990 4.249 -0.259 1
1 1034 . 7 1 1 A 88 88 GLY C C 88 171.366 172.039 -0.673 1
1 1035 . 7 1 1 A 88 88 GLY CA C 88 45.006 46.048 -1.042 1
1 1036 . 7 1 1 A 88 88 GLY N N 88 106.086 103.972 2.114 1
1 1037 . 7 1 1 A 89 89 SER H H 89 8.048 8.141 -0.093 1
1 1038 . 7 1 1 A 89 89 SER HA H 89 3.899 4.565 -0.666 1
1 1041 . 7 1 1 A 89 89 SER CA C 89 56.522 55.754 0.768 1
1 1042 . 7 1 1 A 89 89 SER CB C 89 63.965 64.677 -0.712 1
1 1043 . 7 1 1 A 89 89 SER N N 89 113.549 116.209 -2.660 1
1 1044 . 7 1 1 A 90 90 GLY H H 90 8.282 7.980 0.302 1
1 1045 . 7 1 1 A 90 90 GLY HA2 H 90 4.637 4.062 0.575 1
1 1046 . 7 1 1 A 90 90 GLY HA3 H 90 3.696 4.067 -0.371 1
1 1047 . 7 1 1 A 90 90 GLY CA C 90 44.399 44.115 0.284 1
1 1048 . 7 1 1 A 90 90 GLY N N 90 109.030 107.107 1.923 1
1 1049 . 7 1 1 A 91 91 PRO HA H 91 4.448 4.547 -0.099 1
1 1056 . 7 1 1 A 91 91 PRO C C 91 177.760 175.099 2.661 1
1 1057 . 7 1 1 A 91 91 PRO CA C 91 62.229 62.593 -0.364 1
1 1058 . 7 1 1 A 91 91 PRO CB C 91 32.367 33.054 -0.687 1
1 1061 . 7 1 1 A 92 92 LEU H H 92 8.373 8.329 0.044 1
1 1062 . 7 1 1 A 92 92 LEU HA H 92 4.110 4.725 -0.615 1
1 1072 . 7 1 1 A 92 92 LEU C C 92 176.841 176.361 0.480 1
1 1073 . 7 1 1 A 92 92 LEU CA C 92 55.163 53.514 1.649 1
1 1074 . 7 1 1 A 92 92 LEU CB C 92 43.188 43.366 -0.178 1
1 1078 . 7 1 1 A 92 92 LEU N N 92 121.096 122.032 -0.936 1
1 1079 . 7 1 1 A 93 93 SER H H 93 8.629 9.092 -0.463 1
1 1080 . 7 1 1 A 93 93 SER HA H 93 3.683 4.367 -0.684 1
1 1083 . 7 1 1 A 93 93 SER C C 93 171.637 173.729 -2.092 1
1 1084 . 7 1 1 A 93 93 SER CA C 93 56.900 56.954 -0.054 1
1 1085 . 7 1 1 A 93 93 SER CB C 93 62.923 62.821 0.102 1
1 1086 . 7 1 1 A 93 93 SER N N 93 116.072 121.084 -5.012 1
1 1087 . 7 1 1 A 94 94 PRO HA H 94 4.330 4.516 -0.186 1
1 1094 . 7 1 1 A 94 94 PRO C C 94 178.093 177.177 0.916 1
1 1095 . 7 1 1 A 94 94 PRO CA C 94 63.309 62.653 0.656 1
1 1096 . 7 1 1 A 94 94 PRO CB C 94 31.463 31.767 -0.304 1
1 1099 . 7 1 1 A 95 95 SER H H 95 8.722 8.349 0.373 1
1 1100 . 7 1 1 A 95 95 SER HA H 95 4.923 4.944 -0.021 1
1 1103 . 7 1 1 A 95 95 SER C C 95 176.215 175.407 0.808 1
1 1104 . 7 1 1 A 95 95 SER CA C 95 58.955 58.115 0.840 1
1 1105 . 7 1 1 A 95 95 SER CB C 95 64.884 64.302 0.582 1
1 1106 . 7 1 1 A 95 95 SER N N 95 122.184 115.102 7.082 1
1 1107 . 7 1 1 A 96 96 ILE H H 96 8.915 8.515 0.400 1
1 1108 . 7 1 1 A 96 96 ILE HA H 96 4.609 4.498 0.111 1
1 1118 . 7 1 1 A 96 96 ILE C C 96 174.546 176.340 -1.794 1
1 1119 . 7 1 1 A 96 96 ILE CA C 96 59.782 61.130 -1.348 1
1 1120 . 7 1 1 A 96 96 ILE CB C 96 40.995 39.800 1.195 1
1 1124 . 7 1 1 A 96 96 ILE N N 96 115.463 119.852 -4.389 1
1 1125 . 7 1 1 A 97 97 GLN H H 97 8.292 7.840 0.452 1
1 1126 . 7 1 1 A 97 97 GLN HA H 97 5.849 3.943 1.906 1
1 1133 . 7 1 1 A 97 97 GLN C C 97 176.173 174.644 1.529 1
1 1134 . 7 1 1 A 97 97 GLN CA C 97 54.361 56.965 -2.604 1
1 1135 . 7 1 1 A 97 97 GLN CB C 97 31.102 26.492 4.610 1
1 1137 . 7 1 1 A 97 97 GLN N N 97 117.686 117.993 -0.307 1
1 1139 . 7 1 1 A 98 98 SER H H 98 8.751 7.871 0.880 1
1 1140 . 7 1 1 A 98 98 SER HA H 98 4.618 4.478 0.140 1
1 1143 . 7 1 1 A 98 98 SER C C 98 172.310 173.420 -1.110 1
1 1144 . 7 1 1 A 98 98 SER CA C 98 57.019 58.469 -1.450 1
1 1145 . 7 1 1 A 98 98 SER CB C 98 64.588 63.526 1.062 1
1 1146 . 7 1 1 A 98 98 SER N N 98 115.969 113.179 2.790 1
1 1147 . 7 1 1 A 99 99 ARG H H 99 8.519 8.842 -0.323 1
1 1148 . 7 1 1 A 99 99 ARG HA H 99 5.627 5.189 0.438 1
1 1156 . 7 1 1 A 99 99 ARG C C 99 176.394 175.739 0.655 1
1 1157 . 7 1 1 A 99 99 ARG CA C 99 53.705 55.425 -1.720 1
1 1158 . 7 1 1 A 99 99 ARG CB C 99 32.853 31.474 1.379 1
1 1161 . 7 1 1 A 99 99 ARG N N 99 132.343 129.408 2.935 1
1 1163 . 7 1 1 A 100 100 THR H H 100 8.808 8.322 0.486 1
1 1164 . 7 1 1 A 100 100 THR HA H 100 4.182 4.289 -0.107 1
1 1169 . 7 1 1 A 100 100 THR C C 100 175.465 174.490 0.975 1
1 1170 . 7 1 1 A 100 100 THR CA C 100 61.701 62.578 -0.877 1
1 1171 . 7 1 1 A 100 100 THR CB C 100 69.515 69.824 -0.309 1
1 1173 . 7 1 1 A 100 100 THR N N 100 116.147 118.160 -2.013 1
1 1174 . 7 1 1 A 101 101 MET H H 101 7.254 8.532 -1.278 1
1 1175 . 7 1 1 A 101 101 MET HA H 101 4.504 4.644 -0.140 1
1 1183 . 7 1 1 A 101 101 MET C C 101 174.574 175.358 -0.784 1
1 1184 . 7 1 1 A 101 101 MET CA C 101 54.324 54.029 0.295 1
1 1185 . 7 1 1 A 101 101 MET CB C 101 32.235 32.303 -0.068 1
1 1188 . 7 1 1 A 101 101 MET N N 101 117.475 121.427 -3.952 1
1 1189 . 7 1 1 A 102 102 PRO HA H 102 4.647 4.717 -0.070 1
1 1196 . 7 1 1 A 102 102 PRO CA C 102 62.553 62.580 -0.027 1
1 1197 . 7 1 1 A 102 102 PRO CB C 102 32.011 31.303 0.708 1
1 1 . 8 1 1 A 6 6 SER HA H 6 4.535 4.199 0.336 1
1 4 . 8 1 1 A 6 6 SER CA C 6 58.104 60.308 -2.204 1
1 5 . 8 1 1 A 6 6 SER CB C 6 64.201 63.156 1.045 1
1 6 . 8 1 1 A 7 7 GLY H H 7 7.998 8.422 -0.424 1
1 7 . 8 1 1 A 7 7 GLY HA2 H 7 3.978 4.052 -0.074 1
1 8 . 8 1 1 A 7 7 GLY HA3 H 7 3.515 4.094 -0.579 1
1 9 . 8 1 1 A 7 7 GLY CA C 7 44.050 44.645 -0.595 1
1 10 . 8 1 1 A 7 7 GLY N N 7 108.741 111.286 -2.545 1
1 11 . 8 1 1 A 8 8 PRO HA H 8 4.324 5.075 -0.751 1
1 18 . 8 1 1 A 8 8 PRO CA C 8 63.624 62.597 1.027 1
1 19 . 8 1 1 A 8 8 PRO CB C 8 32.235 32.684 -0.449 1
1 22 . 8 1 1 A 9 9 SER H H 9 8.323 8.734 -0.411 1
1 23 . 8 1 1 A 9 9 SER HA H 9 4.512 4.549 -0.037 1
1 26 . 8 1 1 A 9 9 SER C C 9 174.410 174.177 0.233 1
1 27 . 8 1 1 A 9 9 SER CA C 9 57.701 58.150 -0.449 1
1 28 . 8 1 1 A 9 9 SER CB C 9 63.909 64.113 -0.204 1
1 29 . 8 1 1 A 9 9 SER N N 9 115.299 117.073 -1.774 1
1 30 . 8 1 1 A 10 10 GLY H H 10 7.439 7.947 -0.508 1
1 31 . 8 1 1 A 10 10 GLY HA2 H 10 4.383 4.011 0.372 1
1 32 . 8 1 1 A 10 10 GLY HA3 H 10 3.951 4.012 -0.061 1
1 33 . 8 1 1 A 10 10 GLY C C 10 172.743 172.574 0.169 1
1 34 . 8 1 1 A 10 10 GLY CA C 10 43.924 44.007 -0.083 1
1 35 . 8 1 1 A 10 10 GLY N N 10 107.797 109.407 -1.610 1
1 36 . 8 1 1 A 11 11 PHE H H 11 7.534 7.891 -0.357 1
1 37 . 8 1 1 A 11 11 PHE HA H 11 5.519 5.355 0.164 1
1 44 . 8 1 1 A 11 11 PHE C C 11 173.822 173.691 0.131 1
1 45 . 8 1 1 A 11 11 PHE CA C 11 52.513 54.596 -2.083 1
1 46 . 8 1 1 A 11 11 PHE CB C 11 38.744 41.459 -2.715 1
1 51 . 8 1 1 A 11 11 PHE N N 11 115.246 116.464 -1.218 1
1 52 . 8 1 1 A 12 12 PRO HA H 12 4.285 4.727 -0.442 1
1 59 . 8 1 1 A 12 12 PRO C C 12 175.173 175.554 -0.381 1
1 60 . 8 1 1 A 12 12 PRO CA C 12 63.707 62.707 1.000 1
1 61 . 8 1 1 A 12 12 PRO CB C 12 32.344 33.358 -1.014 1
1 64 . 8 1 1 A 13 13 GLN H H 13 7.469 8.177 -0.708 1
1 65 . 8 1 1 A 13 13 GLN HA H 13 4.511 4.813 -0.302 1
1 72 . 8 1 1 A 13 13 GLN C C 13 175.349 175.224 0.125 1
1 73 . 8 1 1 A 13 13 GLN CA C 13 54.572 54.440 0.132 1
1 74 . 8 1 1 A 13 13 GLN CB C 13 32.848 31.548 1.300 1
1 76 . 8 1 1 A 13 13 GLN N N 13 120.555 118.905 1.650 1
1 78 . 8 1 1 A 14 14 ASN H H 14 8.978 8.893 0.085 1
1 79 . 8 1 1 A 14 14 ASN HA H 14 4.424 4.451 -0.027 1
1 84 . 8 1 1 A 14 14 ASN C C 14 174.770 173.978 0.792 1
1 85 . 8 1 1 A 14 14 ASN CA C 14 54.079 54.343 -0.264 1
1 86 . 8 1 1 A 14 14 ASN CB C 14 37.343 36.821 0.522 1
1 87 . 8 1 1 A 14 14 ASN N N 14 114.024 116.033 -2.009 1
1 89 . 8 1 1 A 15 15 LEU H H 15 8.437 7.999 0.438 1
1 90 . 8 1 1 A 15 15 LEU HA H 15 5.062 4.584 0.478 1
1 100 . 8 1 1 A 15 15 LEU C C 15 177.001 175.566 1.435 1
1 101 . 8 1 1 A 15 15 LEU CA C 15 56.667 55.355 1.312 1
1 102 . 8 1 1 A 15 15 LEU CB C 15 41.720 42.653 -0.933 1
1 106 . 8 1 1 A 15 15 LEU N N 15 121.843 121.944 -0.101 1
1 107 . 8 1 1 A 16 16 HIS H H 16 9.492 8.284 1.208 1
1 108 . 8 1 1 A 16 16 HIS HA H 16 4.987 5.195 -0.208 1
1 113 . 8 1 1 A 16 16 HIS C C 16 171.333 171.729 -0.396 1
1 114 . 8 1 1 A 16 16 HIS CA C 16 55.153 54.742 0.411 1
1 115 . 8 1 1 A 16 16 HIS CB C 16 30.515 31.793 -1.278 1
1 118 . 8 1 1 A 16 16 HIS N N 16 121.636 121.441 0.195 1
1 119 . 8 1 1 A 17 17 VAL H H 17 8.606 8.673 -0.067 1
1 120 . 8 1 1 A 17 17 VAL HA H 17 4.663 4.930 -0.267 1
1 128 . 8 1 1 A 17 17 VAL C C 17 177.740 176.359 1.381 1
1 129 . 8 1 1 A 17 17 VAL CA C 17 61.771 59.657 2.114 1
1 130 . 8 1 1 A 17 17 VAL CB C 17 33.476 34.498 -1.022 1
1 133 . 8 1 1 A 17 17 VAL N N 17 120.868 119.947 0.921 1
1 134 . 8 1 1 A 18 18 THR H H 18 9.022 8.844 0.178 1
1 135 . 8 1 1 A 18 18 THR HA H 18 4.516 4.428 0.088 1
1 140 . 8 1 1 A 18 18 THR C C 18 174.913 174.631 0.282 1
1 141 . 8 1 1 A 18 18 THR CA C 18 61.472 63.417 -1.945 1
1 142 . 8 1 1 A 18 18 THR CB C 18 68.725 70.264 -1.539 1
1 144 . 8 1 1 A 18 18 THR N N 18 117.096 122.394 -5.298 1
1 145 . 8 1 1 A 19 19 GLY H H 19 7.443 7.373 0.070 1
1 146 . 8 1 1 A 19 19 GLY HA2 H 19 4.177 4.034 0.143 1
1 147 . 8 1 1 A 19 19 GLY HA3 H 19 3.909 4.042 -0.133 1
1 148 . 8 1 1 A 19 19 GLY C C 19 170.720 172.916 -2.196 1
1 149 . 8 1 1 A 19 19 GLY CA C 19 45.877 45.641 0.236 1
1 150 . 8 1 1 A 19 19 GLY N N 19 111.594 108.362 3.232 1
1 151 . 8 1 1 A 20 20 LEU H H 20 8.400 8.521 -0.121 1
1 152 . 8 1 1 A 20 20 LEU HA H 20 4.803 4.398 0.405 1
1 162 . 8 1 1 A 20 20 LEU C C 20 175.350 176.033 -0.683 1
1 163 . 8 1 1 A 20 20 LEU CA C 20 55.557 54.499 1.058 1
1 164 . 8 1 1 A 20 20 LEU CB C 20 46.554 43.411 3.143 1
1 168 . 8 1 1 A 20 20 LEU N N 20 121.661 120.819 0.842 1
1 169 . 8 1 1 A 21 21 THR H H 21 7.720 8.577 -0.857 1
1 170 . 8 1 1 A 21 21 THR HA H 21 4.900 4.657 0.243 1
1 175 . 8 1 1 A 21 21 THR C C 21 174.986 175.085 -0.099 1
1 176 . 8 1 1 A 21 21 THR CA C 21 61.049 61.029 0.020 1
1 177 . 8 1 1 A 21 21 THR CB C 21 71.081 72.551 -1.470 1
1 179 . 8 1 1 A 21 21 THR N N 21 112.043 112.910 -0.867 1
1 180 . 8 1 1 A 22 22 THR H H 22 7.782 8.753 -0.971 1
1 181 . 8 1 1 A 22 22 THR HA H 22 4.657 4.162 0.495 1
1 186 . 8 1 1 A 22 22 THR C C 22 174.110 175.727 -1.617 1
1 187 . 8 1 1 A 22 22 THR CA C 22 63.654 65.465 -1.811 1
1 188 . 8 1 1 A 22 22 THR CB C 22 69.834 68.385 1.449 1
1 190 . 8 1 1 A 22 22 THR N N 22 110.558 119.600 -9.042 1
1 191 . 8 1 1 A 23 23 SER H H 23 7.289 7.652 -0.363 1
1 192 . 8 1 1 A 23 23 SER HA H 23 4.717 4.750 -0.033 1
1 195 . 8 1 1 A 23 23 SER C C 23 173.680 174.256 -0.576 1
1 196 . 8 1 1 A 23 23 SER CA C 23 57.212 60.028 -2.816 1
1 197 . 8 1 1 A 23 23 SER CB C 23 66.012 64.631 1.381 1
1 198 . 8 1 1 A 23 23 SER N N 23 107.116 115.504 -8.388 1
1 199 . 8 1 1 A 24 24 THR H H 24 7.174 7.686 -0.512 1
1 200 . 8 1 1 A 24 24 THR HA H 24 5.377 4.767 0.610 1
1 205 . 8 1 1 A 24 24 THR C C 24 176.427 173.450 2.977 1
1 206 . 8 1 1 A 24 24 THR CA C 24 58.656 59.637 -0.981 1
1 207 . 8 1 1 A 24 24 THR CB C 24 73.018 71.599 1.419 1
1 209 . 8 1 1 A 24 24 THR N N 24 111.053 112.156 -1.103 1
1 210 . 8 1 1 A 25 25 THR H H 25 8.180 8.328 -0.148 1
1 211 . 8 1 1 A 25 25 THR HA H 25 4.608 4.967 -0.359 1
1 216 . 8 1 1 A 25 25 THR C C 25 170.451 173.589 -3.138 1
1 217 . 8 1 1 A 25 25 THR CA C 25 63.619 61.579 2.040 1
1 218 . 8 1 1 A 25 25 THR CB C 25 75.464 71.555 3.909 1
1 220 . 8 1 1 A 25 25 THR N N 25 117.664 115.793 1.871 1
1 221 . 8 1 1 A 26 26 GLU H H 26 9.197 8.694 0.503 1
1 222 . 8 1 1 A 26 26 GLU HA H 26 4.706 4.478 0.228 1
1 227 . 8 1 1 A 26 26 GLU C C 26 174.626 175.512 -0.886 1
1 228 . 8 1 1 A 26 26 GLU CA C 26 55.751 57.129 -1.378 1
1 229 . 8 1 1 A 26 26 GLU CB C 26 30.917 30.796 0.121 1
1 231 . 8 1 1 A 26 26 GLU N N 26 130.706 126.725 3.981 1
1 232 . 8 1 1 A 27 27 LEU H H 27 9.001 8.349 0.652 1
1 233 . 8 1 1 A 27 27 LEU HA H 27 5.273 5.362 -0.089 1
1 243 . 8 1 1 A 27 27 LEU C C 27 176.770 175.599 1.171 1
1 244 . 8 1 1 A 27 27 LEU CA C 27 53.165 53.570 -0.405 1
1 245 . 8 1 1 A 27 27 LEU CB C 27 47.693 47.051 0.642 1
1 249 . 8 1 1 A 27 27 LEU N N 27 124.564 120.755 3.809 1
1 250 . 8 1 1 A 28 28 ALA H H 28 8.640 8.427 0.213 1
1 251 . 8 1 1 A 28 28 ALA HA H 28 4.577 4.679 -0.102 1
1 255 . 8 1 1 A 28 28 ALA C C 28 174.523 175.165 -0.642 1
1 256 . 8 1 1 A 28 28 ALA CA C 28 51.404 51.962 -0.558 1
1 257 . 8 1 1 A 28 28 ALA CB C 28 23.304 20.711 2.593 1
1 258 . 8 1 1 A 28 28 ALA N N 28 122.531 121.354 1.177 1
1 259 . 8 1 1 A 29 29 TRP H H 29 7.581 7.966 -0.385 1
1 260 . 8 1 1 A 29 29 TRP HA H 29 4.868 5.643 -0.775 1
1 269 . 8 1 1 A 29 29 TRP C C 29 172.280 173.165 -0.885 1
1 270 . 8 1 1 A 29 29 TRP CA C 29 56.948 54.407 2.541 1
1 271 . 8 1 1 A 29 29 TRP CB C 29 29.667 32.213 -2.546 1
1 277 . 8 1 1 A 29 29 TRP N N 29 115.551 120.871 -5.320 1
1 279 . 8 1 1 A 30 30 ASP H H 30 9.276 9.411 -0.135 1
1 280 . 8 1 1 A 30 30 ASP HA H 30 5.443 5.080 0.363 1
1 283 . 8 1 1 A 30 30 ASP C C 30 173.846 173.543 0.303 1
1 284 . 8 1 1 A 30 30 ASP CA C 30 51.562 50.939 0.623 1
1 285 . 8 1 1 A 30 30 ASP CB C 30 42.533 42.990 -0.457 1
1 286 . 8 1 1 A 30 30 ASP N N 30 117.265 119.693 -2.428 1
1 287 . 8 1 1 A 31 31 PRO HA H 31 5.105 4.933 0.172 1
1 294 . 8 1 1 A 31 31 PRO CA C 31 61.905 61.530 0.375 1
1 295 . 8 1 1 A 31 31 PRO CB C 31 29.864 31.474 -1.610 1
1 298 . 8 1 1 A 32 32 PRO HA H 32 4.580 4.493 0.087 1
1 305 . 8 1 1 A 32 32 PRO CA C 32 62.036 62.789 -0.753 1
1 306 . 8 1 1 A 32 32 PRO CB C 32 30.840 32.202 -1.362 1
1 309 . 8 1 1 A 33 33 VAL H H 33 8.755 8.131 0.624 1
1 310 . 8 1 1 A 33 33 VAL HA H 33 3.994 4.162 -0.168 1
1 318 . 8 1 1 A 33 33 VAL CA C 33 62.553 62.252 0.301 1
1 319 . 8 1 1 A 33 33 VAL CB C 33 31.763 32.393 -0.630 1
1 322 . 8 1 1 A 33 33 VAL N N 33 120.113 119.853 0.260 1
1 323 . 8 1 1 A 34 34 LEU H H 34 8.469 8.719 -0.250 1
1 324 . 8 1 1 A 34 34 LEU HA H 34 3.768 3.989 -0.221 1
1 334 . 8 1 1 A 34 34 LEU CA C 34 58.809 57.708 1.101 1
1 335 . 8 1 1 A 34 34 LEU CB C 34 42.426 41.477 0.949 1
1 339 . 8 1 1 A 34 34 LEU N N 34 125.095 123.363 1.732 1
1 340 . 8 1 1 A 35 35 ALA H H 35 8.586 7.743 0.843 1
1 341 . 8 1 1 A 35 35 ALA HA H 35 4.171 4.120 0.051 1
1 345 . 8 1 1 A 35 35 ALA CA C 35 53.957 54.454 -0.497 1
1 346 . 8 1 1 A 35 35 ALA CB C 35 19.056 18.244 0.812 1
1 347 . 8 1 1 A 35 35 ALA N N 35 119.010 121.666 -2.656 1
1 348 . 8 1 1 A 36 36 GLU H H 36 8.070 8.082 -0.012 1
1 349 . 8 1 1 A 36 36 GLU HA H 36 4.305 4.504 -0.199 1
1 354 . 8 1 1 A 36 36 GLU CA C 36 55.527 55.843 -0.316 1
1 355 . 8 1 1 A 36 36 GLU CB C 36 29.845 29.342 0.503 1
1 357 . 8 1 1 A 36 36 GLU N N 36 115.604 114.467 1.137 1
1 358 . 8 1 1 A 37 37 ARG HA H 37 3.758 4.681 -0.923 1
1 365 . 8 1 1 A 37 37 ARG CA C 37 60.050 54.609 5.441 1
1 366 . 8 1 1 A 37 37 ARG CB C 37 30.804 30.671 0.133 1
1 369 . 8 1 1 A 37 37 ARG N N 37 122.198 120.833 1.365 1
1 370 . 8 1 1 A 38 38 ASN H H 38 8.093 8.472 -0.379 1
1 371 . 8 1 1 A 38 38 ASN HA H 38 4.291 4.422 -0.131 1
1 376 . 8 1 1 A 38 38 ASN C C 38 174.619 176.034 -1.415 1
1 377 . 8 1 1 A 38 38 ASN CA C 38 53.287 56.401 -3.114 1
1 378 . 8 1 1 A 38 38 ASN CB C 38 37.482 38.345 -0.863 1
1 379 . 8 1 1 A 38 38 ASN N N 38 109.319 122.830 -13.511 1
1 381 . 8 1 1 A 39 39 GLY H H 39 7.575 7.661 -0.086 1
1 382 . 8 1 1 A 39 39 GLY HA2 H 39 4.320 4.055 0.265 1
1 383 . 8 1 1 A 39 39 GLY HA3 H 39 3.697 4.056 -0.359 1
1 384 . 8 1 1 A 39 39 GLY C C 39 172.138 172.386 -0.248 1
1 385 . 8 1 1 A 39 39 GLY CA C 39 43.766 45.355 -1.589 1
1 386 . 8 1 1 A 39 39 GLY N N 39 105.607 104.114 1.493 1
1 387 . 8 1 1 A 40 40 ARG H H 40 8.180 8.681 -0.501 1
1 388 . 8 1 1 A 40 40 ARG HA H 40 4.333 5.123 -0.790 1
1 395 . 8 1 1 A 40 40 ARG C C 40 176.395 174.867 1.528 1
1 396 . 8 1 1 A 40 40 ARG CA C 40 55.453 53.858 1.595 1
1 397 . 8 1 1 A 40 40 ARG CB C 40 30.999 33.997 -2.998 1
1 400 . 8 1 1 A 40 40 ARG N N 40 119.566 120.483 -0.917 1
1 401 . 8 1 1 A 41 41 ILE H H 41 8.991 8.966 0.025 1
1 402 . 8 1 1 A 41 41 ILE HA H 41 4.256 4.724 -0.468 1
1 412 . 8 1 1 A 41 41 ILE CA C 41 59.279 60.040 -0.761 1
1 413 . 8 1 1 A 41 41 ILE CB C 41 35.329 40.593 -5.264 1
1 417 . 8 1 1 A 41 41 ILE N N 41 127.226 122.140 5.086 1
1 418 . 8 1 1 A 42 42 ILE H H 42 8.721 9.080 -0.359 1
1 419 . 8 1 1 A 42 42 ILE HA H 42 4.475 4.530 -0.055 1
1 429 . 8 1 1 A 42 42 ILE C C 42 175.959 175.996 -0.037 1
1 430 . 8 1 1 A 42 42 ILE CA C 42 61.208 61.223 -0.015 1
1 431 . 8 1 1 A 42 42 ILE CB C 42 39.771 39.677 0.094 1
1 435 . 8 1 1 A 42 42 ILE N N 42 122.018 120.421 1.597 1
1 436 . 8 1 1 A 43 43 SER H H 43 7.425 7.749 -0.324 1
1 437 . 8 1 1 A 43 43 SER HA H 43 4.555 4.936 -0.381 1
1 440 . 8 1 1 A 43 43 SER C C 43 170.232 171.570 -1.338 1
1 441 . 8 1 1 A 43 43 SER CA C 43 58.234 57.578 0.656 1
1 442 . 8 1 1 A 43 43 SER CB C 43 64.287 65.216 -0.929 1
1 443 . 8 1 1 A 43 43 SER N N 43 113.043 113.881 -0.838 1
1 444 . 8 1 1 A 44 44 TYR H H 44 9.297 8.494 0.803 1
1 445 . 8 1 1 A 44 44 TYR HA H 44 5.741 5.666 0.075 1
1 452 . 8 1 1 A 44 44 TYR C C 44 175.735 175.086 0.649 1
1 453 . 8 1 1 A 44 44 TYR CA C 44 57.137 56.661 0.476 1
1 454 . 8 1 1 A 44 44 TYR CB C 44 42.410 43.013 -0.603 1
1 459 . 8 1 1 A 44 44 TYR N N 44 116.157 118.821 -2.664 1
1 460 . 8 1 1 A 45 45 THR H H 45 8.778 8.862 -0.084 1
1 461 . 8 1 1 A 45 45 THR HA H 45 5.094 5.059 0.035 1
1 466 . 8 1 1 A 45 45 THR C C 45 173.026 173.437 -0.411 1
1 467 . 8 1 1 A 45 45 THR CA C 45 61.853 61.731 0.122 1
1 468 . 8 1 1 A 45 45 THR CB C 45 71.072 70.311 0.761 1
1 470 . 8 1 1 A 45 45 THR N N 45 114.801 116.847 -2.046 1
1 471 . 8 1 1 A 46 46 VAL H H 46 9.145 8.825 0.320 1
1 472 . 8 1 1 A 46 46 VAL HA H 46 4.244 4.676 -0.432 1
1 480 . 8 1 1 A 46 46 VAL C C 46 174.278 175.240 -0.962 1
1 481 . 8 1 1 A 46 46 VAL CA C 46 61.137 61.769 -0.632 1
1 482 . 8 1 1 A 46 46 VAL CB C 46 32.999 31.182 1.817 1
1 485 . 8 1 1 A 46 46 VAL N N 46 127.180 127.567 -0.387 1
1 486 . 8 1 1 A 47 47 VAL H H 47 9.041 8.859 0.182 1
1 487 . 8 1 1 A 47 47 VAL HA H 47 5.004 4.676 0.328 1
1 495 . 8 1 1 A 47 47 VAL C C 47 175.023 175.736 -0.713 1
1 496 . 8 1 1 A 47 47 VAL CA C 47 60.996 62.018 -1.022 1
1 497 . 8 1 1 A 47 47 VAL CB C 47 33.488 31.596 1.892 1
1 500 . 8 1 1 A 47 47 VAL N N 47 128.169 128.482 -0.313 1
1 501 . 8 1 1 A 48 48 PHE H H 48 9.169 9.093 0.076 1
1 502 . 8 1 1 A 48 48 PHE HA H 48 6.209 6.119 0.090 1
1 510 . 8 1 1 A 48 48 PHE C C 48 173.210 173.621 -0.411 1
1 511 . 8 1 1 A 48 48 PHE CA C 48 54.702 54.967 -0.265 1
1 512 . 8 1 1 A 48 48 PHE CB C 48 43.316 42.857 0.459 1
1 518 . 8 1 1 A 48 48 PHE N N 48 123.753 124.249 -0.496 1
1 519 . 8 1 1 A 49 49 ARG H H 49 8.693 8.626 0.067 1
1 520 . 8 1 1 A 49 49 ARG HA H 49 4.817 4.665 0.152 1
1 528 . 8 1 1 A 49 49 ARG C C 49 175.280 173.964 1.316 1
1 529 . 8 1 1 A 49 49 ARG CA C 49 54.801 55.256 -0.455 1
1 530 . 8 1 1 A 49 49 ARG CB C 49 35.242 34.314 0.928 1
1 533 . 8 1 1 A 49 49 ARG N N 49 118.793 120.165 -1.372 1
1 535 . 8 1 1 A 50 50 ASP H H 50 8.820 8.885 -0.065 1
1 536 . 8 1 1 A 50 50 ASP HA H 50 4.029 4.367 -0.338 1
1 539 . 8 1 1 A 50 50 ASP C C 50 178.592 177.561 1.031 1
1 540 . 8 1 1 A 50 50 ASP CA C 50 53.498 54.219 -0.721 1
1 541 . 8 1 1 A 50 50 ASP CB C 50 40.543 40.206 0.337 1
1 542 . 8 1 1 A 50 50 ASP N N 50 128.720 125.293 3.427 1
1 543 . 8 1 1 A 51 51 ILE H H 51 8.315 8.402 -0.087 1
1 544 . 8 1 1 A 51 51 ILE HA H 51 3.892 3.747 0.145 1
1 554 . 8 1 1 A 51 51 ILE C C 51 176.905 177.052 -0.147 1
1 555 . 8 1 1 A 51 51 ILE CA C 51 64.569 63.312 1.257 1
1 556 . 8 1 1 A 51 51 ILE CB C 51 38.126 37.663 0.463 1
1 560 . 8 1 1 A 51 51 ILE N N 51 124.642 124.159 0.483 1
1 561 . 8 1 1 A 52 52 ASN H H 52 8.677 7.693 0.984 1
1 562 . 8 1 1 A 52 52 ASN HA H 52 4.760 4.658 0.102 1
1 567 . 8 1 1 A 52 52 ASN C C 52 174.645 175.447 -0.802 1
1 568 . 8 1 1 A 52 52 ASN CA C 52 53.851 54.806 -0.955 1
1 569 . 8 1 1 A 52 52 ASN CB C 52 39.032 39.767 -0.735 1
1 570 . 8 1 1 A 52 52 ASN N N 52 119.201 118.654 0.547 1
1 572 . 8 1 1 A 53 53 SER H H 53 8.409 8.233 0.176 1
1 573 . 8 1 1 A 53 53 SER HA H 53 4.663 4.910 -0.247 1
1 576 . 8 1 1 A 53 53 SER C C 53 173.861 174.266 -0.405 1
1 577 . 8 1 1 A 53 53 SER CA C 53 56.702 57.176 -0.474 1
1 578 . 8 1 1 A 53 53 SER CB C 53 65.730 66.164 -0.434 1
1 579 . 8 1 1 A 53 53 SER N N 53 116.494 113.869 2.625 1
1 580 . 8 1 1 A 54 54 GLN H H 54 8.489 8.600 -0.111 1
1 581 . 8 1 1 A 54 54 GLN HA H 54 4.329 4.604 -0.275 1
1 588 . 8 1 1 A 54 54 GLN C C 54 175.789 175.252 0.537 1
1 589 . 8 1 1 A 54 54 GLN CA C 54 55.857 54.971 0.886 1
1 590 . 8 1 1 A 54 54 GLN CB C 54 28.847 29.152 -0.305 1
1 592 . 8 1 1 A 54 54 GLN N N 54 119.700 122.432 -2.732 1
1 594 . 8 1 1 A 55 55 GLN H H 55 8.108 7.670 0.438 1
1 595 . 8 1 1 A 55 55 GLN HA H 55 4.269 4.504 -0.235 1
1 602 . 8 1 1 A 55 55 GLN C C 55 174.076 174.813 -0.737 1
1 603 . 8 1 1 A 55 55 GLN CA C 55 55.689 55.089 0.600 1
1 604 . 8 1 1 A 55 55 GLN CB C 55 29.352 29.364 -0.012 1
1 606 . 8 1 1 A 55 55 GLN N N 55 120.355 121.635 -1.280 1
1 608 . 8 1 1 A 56 56 GLU H H 56 8.603 8.789 -0.186 1
1 609 . 8 1 1 A 56 56 GLU HA H 56 4.372 4.687 -0.315 1
1 614 . 8 1 1 A 56 56 GLU C C 56 175.058 175.482 -0.424 1
1 615 . 8 1 1 A 56 56 GLU CA C 56 55.594 56.157 -0.563 1
1 616 . 8 1 1 A 56 56 GLU CB C 56 31.640 30.750 0.890 1
1 618 . 8 1 1 A 56 56 GLU N N 56 126.250 128.915 -2.665 1
1 619 . 8 1 1 A 57 57 LEU H H 57 8.520 8.085 0.435 1
1 620 . 8 1 1 A 57 57 LEU HA H 57 4.458 4.768 -0.310 1
1 630 . 8 1 1 A 57 57 LEU C C 57 174.850 174.627 0.223 1
1 631 . 8 1 1 A 57 57 LEU CA C 57 53.780 53.212 0.568 1
1 632 . 8 1 1 A 57 57 LEU CB C 57 43.903 46.417 -2.514 1
1 636 . 8 1 1 A 57 57 LEU N N 57 127.205 126.025 1.180 1
1 637 . 8 1 1 A 58 58 GLN H H 58 7.992 8.716 -0.724 1
1 638 . 8 1 1 A 58 58 GLN HA H 58 5.865 5.653 0.212 1
1 645 . 8 1 1 A 58 58 GLN C C 58 175.948 173.560 2.388 1
1 646 . 8 1 1 A 58 58 GLN CA C 58 53.944 54.535 -0.591 1
1 647 . 8 1 1 A 58 58 GLN CB C 58 32.786 32.734 0.052 1
1 649 . 8 1 1 A 58 58 GLN N N 58 113.562 118.121 -4.559 1
1 651 . 8 1 1 A 59 59 ASN H H 59 9.073 8.951 0.122 1
1 652 . 8 1 1 A 59 59 ASN HA H 59 5.068 5.515 -0.447 1
1 657 . 8 1 1 A 59 59 ASN C C 59 172.790 174.113 -1.323 1
1 658 . 8 1 1 A 59 59 ASN CA C 59 53.023 51.618 1.405 1
1 659 . 8 1 1 A 59 59 ASN CB C 59 45.541 42.831 2.710 1
1 660 . 8 1 1 A 59 59 ASN N N 59 119.984 117.434 2.550 1
1 662 . 8 1 1 A 60 60 ILE H H 60 8.491 8.467 0.024 1
1 663 . 8 1 1 A 60 60 ILE HA H 60 5.147 5.057 0.090 1
1 673 . 8 1 1 A 60 60 ILE C C 60 175.088 174.634 0.454 1
1 674 . 8 1 1 A 60 60 ILE CA C 60 59.853 59.969 -0.116 1
1 675 . 8 1 1 A 60 60 ILE CB C 60 40.891 41.250 -0.359 1
1 679 . 8 1 1 A 60 60 ILE N N 60 119.480 120.516 -1.036 1
1 680 . 8 1 1 A 61 61 THR H H 61 8.755 8.403 0.352 1
1 681 . 8 1 1 A 61 61 THR HA H 61 4.976 5.165 -0.189 1
1 686 . 8 1 1 A 61 61 THR C C 61 172.097 173.590 -1.493 1
1 687 . 8 1 1 A 61 61 THR CA C 61 59.905 60.436 -0.531 1
1 688 . 8 1 1 A 61 61 THR CB C 61 69.505 71.382 -1.877 1
1 690 . 8 1 1 A 61 61 THR N N 61 118.083 119.466 -1.383 1
1 691 . 8 1 1 A 62 62 THR H H 62 8.325 8.571 -0.246 1
1 692 . 8 1 1 A 62 62 THR HA H 62 4.641 4.555 0.086 1
1 697 . 8 1 1 A 62 62 THR C C 62 174.386 173.334 1.052 1
1 698 . 8 1 1 A 62 62 THR CA C 62 62.440 62.109 0.331 1
1 699 . 8 1 1 A 62 62 THR CB C 62 69.355 68.754 0.601 1
1 701 . 8 1 1 A 62 62 THR N N 62 115.077 117.328 -2.251 1
1 702 . 8 1 1 A 63 63 ASP H H 63 8.611 7.656 0.955 1
1 703 . 8 1 1 A 63 63 ASP HA H 63 4.962 5.085 -0.123 1
1 706 . 8 1 1 A 63 63 ASP C C 63 172.906 176.587 -3.681 1
1 707 . 8 1 1 A 63 63 ASP CA C 63 52.981 53.069 -0.088 1
1 708 . 8 1 1 A 63 63 ASP CB C 63 43.465 44.524 -1.059 1
1 709 . 8 1 1 A 63 63 ASP N N 63 125.713 121.508 4.205 1
1 710 . 8 1 1 A 64 64 THR H H 64 7.925 8.390 -0.465 1
1 711 . 8 1 1 A 64 64 THR HA H 64 3.088 3.761 -0.673 1
1 716 . 8 1 1 A 64 64 THR C C 64 172.176 172.024 0.152 1
1 717 . 8 1 1 A 64 64 THR CA C 64 59.078 61.414 -2.336 1
1 718 . 8 1 1 A 64 64 THR CB C 64 66.137 68.198 -2.061 1
1 720 . 8 1 1 A 64 64 THR N N 64 104.287 112.500 -8.213 1
1 721 . 8 1 1 A 65 65 ARG H H 65 6.387 7.334 -0.947 1
1 722 . 8 1 1 A 65 65 ARG HA H 65 4.221 3.714 0.507 1
1 729 . 8 1 1 A 65 65 ARG C C 65 174.862 174.303 0.559 1
1 730 . 8 1 1 A 65 65 ARG CA C 65 54.132 53.513 0.619 1
1 731 . 8 1 1 A 65 65 ARG CB C 65 32.928 33.706 -0.778 1
1 734 . 8 1 1 A 65 65 ARG N N 65 115.062 118.526 -3.464 1
1 735 . 8 1 1 A 66 66 PHE H H 66 8.177 8.942 -0.765 1
1 736 . 8 1 1 A 66 66 PHE HA H 66 4.373 4.940 -0.567 1
1 744 . 8 1 1 A 66 66 PHE C C 66 172.804 172.922 -0.118 1
1 745 . 8 1 1 A 66 66 PHE CA C 66 59.536 58.230 1.306 1
1 746 . 8 1 1 A 66 66 PHE CB C 66 44.469 41.791 2.678 1
1 752 . 8 1 1 A 66 66 PHE N N 66 119.991 119.313 0.678 1
1 753 . 8 1 1 A 67 67 THR H H 67 7.332 7.552 -0.220 1
1 754 . 8 1 1 A 67 67 THR HA H 67 4.628 5.104 -0.476 1
1 759 . 8 1 1 A 67 67 THR C C 67 172.910 174.044 -1.134 1
1 760 . 8 1 1 A 67 67 THR CA C 67 61.261 61.185 0.076 1
1 761 . 8 1 1 A 67 67 THR CB C 67 69.260 71.322 -2.062 1
1 763 . 8 1 1 A 67 67 THR N N 67 123.294 118.376 4.918 1
1 764 . 8 1 1 A 68 68 LEU H H 68 8.776 9.154 -0.378 1
1 765 . 8 1 1 A 68 68 LEU HA H 68 4.192 4.342 -0.150 1
1 775 . 8 1 1 A 68 68 LEU C C 68 176.337 175.968 0.369 1
1 776 . 8 1 1 A 68 68 LEU CA C 68 54.394 54.772 -0.378 1
1 777 . 8 1 1 A 68 68 LEU CB C 68 42.394 42.334 0.060 1
1 781 . 8 1 1 A 68 68 LEU N N 68 126.969 127.855 -0.886 1
1 782 . 8 1 1 A 69 69 THR H H 69 7.921 8.260 -0.339 1
1 783 . 8 1 1 A 69 69 THR HA H 69 4.814 4.674 0.140 1
1 788 . 8 1 1 A 69 69 THR C C 69 173.856 173.554 0.302 1
1 789 . 8 1 1 A 69 69 THR CA C 69 59.694 60.560 -0.866 1
1 790 . 8 1 1 A 69 69 THR CB C 69 71.829 71.499 0.330 1
1 792 . 8 1 1 A 69 69 THR N N 69 111.246 111.378 -0.132 1
1 793 . 8 1 1 A 70 70 GLY H H 70 8.894 8.656 0.238 1
1 794 . 8 1 1 A 70 70 GLY HA2 H 70 3.930 3.858 0.072 1
1 795 . 8 1 1 A 70 70 GLY HA3 H 70 3.809 3.884 -0.075 1
1 796 . 8 1 1 A 70 70 GLY C C 70 175.589 174.696 0.893 1
1 797 . 8 1 1 A 70 70 GLY CA C 70 46.178 46.721 -0.543 1
1 798 . 8 1 1 A 70 70 GLY N N 70 107.415 112.114 -4.699 1
1 799 . 8 1 1 A 71 71 LEU H H 71 8.341 7.818 0.523 1
1 800 . 8 1 1 A 71 71 LEU HA H 71 4.195 4.828 -0.633 1
1 810 . 8 1 1 A 71 71 LEU C C 71 175.422 175.382 0.040 1
1 811 . 8 1 1 A 71 71 LEU CA C 71 53.429 53.519 -0.090 1
1 812 . 8 1 1 A 71 71 LEU CB C 71 40.650 43.321 -2.671 1
1 816 . 8 1 1 A 71 71 LEU N N 71 118.621 120.660 -2.039 1
1 817 . 8 1 1 A 72 72 LYS H H 72 8.298 9.186 -0.888 1
1 818 . 8 1 1 A 72 72 LYS HA H 72 4.631 4.836 -0.205 1
1 827 . 8 1 1 A 72 72 LYS C C 72 174.599 175.329 -0.730 1
1 828 . 8 1 1 A 72 72 LYS CA C 72 53.851 54.025 -0.174 1
1 829 . 8 1 1 A 72 72 LYS CB C 72 33.619 34.266 -0.647 1
1 833 . 8 1 1 A 72 72 LYS N N 72 121.340 122.525 -1.185 1
1 834 . 8 1 1 A 73 73 PRO HA H 73 5.086 4.742 0.344 1
1 841 . 8 1 1 A 73 73 PRO C C 73 178.198 177.500 0.698 1
1 842 . 8 1 1 A 73 73 PRO CA C 73 62.897 63.294 -0.397 1
1 843 . 8 1 1 A 73 73 PRO CB C 73 33.198 32.236 0.962 1
1 846 . 8 1 1 A 74 74 ASP H H 74 7.537 9.035 -1.498 1
1 847 . 8 1 1 A 74 74 ASP HA H 74 4.290 4.286 0.004 1
1 850 . 8 1 1 A 74 74 ASP C C 74 174.390 174.748 -0.358 1
1 851 . 8 1 1 A 74 74 ASP CA C 74 54.343 55.118 -0.775 1
1 852 . 8 1 1 A 74 74 ASP CB C 74 41.393 39.653 1.740 1
1 853 . 8 1 1 A 74 74 ASP N N 74 126.834 121.407 5.427 1
1 854 . 8 1 1 A 75 75 THR H H 75 8.197 7.308 0.889 1
1 855 . 8 1 1 A 75 75 THR HA H 75 4.316 4.832 -0.516 1
1 860 . 8 1 1 A 75 75 THR C C 75 172.076 173.519 -1.443 1
1 861 . 8 1 1 A 75 75 THR CA C 75 63.087 61.327 1.760 1
1 862 . 8 1 1 A 75 75 THR CB C 75 71.822 72.362 -0.540 1
1 864 . 8 1 1 A 75 75 THR N N 75 113.905 112.320 1.585 1
1 865 . 8 1 1 A 76 76 THR H H 76 8.606 8.842 -0.236 1
1 866 . 8 1 1 A 76 76 THR HA H 76 4.641 4.432 0.209 1
1 871 . 8 1 1 A 76 76 THR C C 76 172.308 173.974 -1.666 1
1 872 . 8 1 1 A 76 76 THR CA C 76 63.197 63.440 -0.243 1
1 873 . 8 1 1 A 76 76 THR CB C 76 68.333 69.103 -0.770 1
1 875 . 8 1 1 A 76 76 THR N N 76 124.170 121.215 2.955 1
1 876 . 8 1 1 A 77 77 TYR H H 77 9.230 8.914 0.316 1
1 877 . 8 1 1 A 77 77 TYR HA H 77 5.084 5.064 0.020 1
1 884 . 8 1 1 A 77 77 TYR C C 77 174.065 174.427 -0.362 1
1 885 . 8 1 1 A 77 77 TYR CA C 77 57.443 56.325 1.118 1
1 886 . 8 1 1 A 77 77 TYR CB C 77 41.115 39.964 1.151 1
1 891 . 8 1 1 A 77 77 TYR N N 77 125.729 126.411 -0.682 1
1 892 . 8 1 1 A 78 78 ASP H H 78 9.222 9.331 -0.109 1
1 893 . 8 1 1 A 78 78 ASP HA H 78 5.288 4.794 0.494 1
1 896 . 8 1 1 A 78 78 ASP C C 78 176.268 174.796 1.472 1
1 897 . 8 1 1 A 78 78 ASP CA C 78 53.565 54.114 -0.549 1
1 898 . 8 1 1 A 78 78 ASP CB C 78 44.874 40.710 4.164 1
1 899 . 8 1 1 A 78 78 ASP N N 78 124.016 125.641 -1.625 1
1 900 . 8 1 1 A 79 79 ILE H H 79 9.210 8.580 0.630 1
1 901 . 8 1 1 A 79 79 ILE HA H 79 5.027 5.243 -0.216 1
1 911 . 8 1 1 A 79 79 ILE C C 79 172.968 174.829 -1.861 1
1 912 . 8 1 1 A 79 79 ILE CA C 79 61.102 59.940 1.162 1
1 913 . 8 1 1 A 79 79 ILE CB C 79 41.830 40.228 1.602 1
1 917 . 8 1 1 A 79 79 ILE N N 79 127.527 127.406 0.121 1
1 918 . 8 1 1 A 80 80 LYS H H 80 8.930 9.184 -0.254 1
1 919 . 8 1 1 A 80 80 LYS HA H 80 4.282 5.145 -0.863 1
1 928 . 8 1 1 A 80 80 LYS C C 80 173.716 174.311 -0.595 1
1 929 . 8 1 1 A 80 80 LYS CA C 80 54.749 54.064 0.685 1
1 930 . 8 1 1 A 80 80 LYS CB C 80 37.864 36.731 1.133 1
1 934 . 8 1 1 A 80 80 LYS N N 80 122.620 124.637 -2.017 1
1 935 . 8 1 1 A 81 81 VAL H H 81 8.070 8.842 -0.772 1
1 936 . 8 1 1 A 81 81 VAL HA H 81 5.365 4.968 0.397 1
1 944 . 8 1 1 A 81 81 VAL C C 81 174.099 173.545 0.554 1
1 945 . 8 1 1 A 81 81 VAL CA C 81 59.228 59.554 -0.326 1
1 946 . 8 1 1 A 81 81 VAL CB C 81 36.108 34.920 1.188 1
1 949 . 8 1 1 A 81 81 VAL N N 81 115.045 119.143 -4.098 1
1 950 . 8 1 1 A 82 82 ARG H H 82 8.733 8.868 -0.135 1
1 951 . 8 1 1 A 82 82 ARG HA H 82 4.984 5.101 -0.117 1
1 959 . 8 1 1 A 82 82 ARG C C 82 172.874 174.495 -1.621 1
1 960 . 8 1 1 A 82 82 ARG CA C 82 53.552 54.849 -1.297 1
1 961 . 8 1 1 A 82 82 ARG CB C 82 34.521 34.096 0.425 1
1 964 . 8 1 1 A 82 82 ARG N N 82 122.032 123.027 -0.995 1
1 966 . 8 1 1 A 83 83 ALA H H 83 9.221 8.585 0.636 1
1 967 . 8 1 1 A 83 83 ALA HA H 83 5.132 3.907 1.225 1
1 971 . 8 1 1 A 83 83 ALA C C 83 174.998 177.062 -2.064 1
1 972 . 8 1 1 A 83 83 ALA CA C 83 50.383 51.894 -1.511 1
1 973 . 8 1 1 A 83 83 ALA CB C 83 23.472 19.469 4.003 1
1 974 . 8 1 1 A 83 83 ALA N N 83 124.044 125.632 -1.588 1
1 975 . 8 1 1 A 84 84 TRP H H 84 8.387 8.779 -0.392 1
1 976 . 8 1 1 A 84 84 TRP HA H 84 5.020 5.418 -0.398 1
1 985 . 8 1 1 A 84 84 TRP C C 84 177.430 175.533 1.897 1
1 986 . 8 1 1 A 84 84 TRP CA C 84 56.807 55.919 0.888 1
1 987 . 8 1 1 A 84 84 TRP CB C 84 31.235 32.656 -1.421 1
1 993 . 8 1 1 A 84 84 TRP N N 84 117.779 120.395 -2.616 1
1 995 . 8 1 1 A 85 85 THR H H 85 8.698 8.493 0.205 1
1 996 . 8 1 1 A 85 85 THR HA H 85 5.190 5.220 -0.030 1
1 1001 . 8 1 1 A 85 85 THR C C 85 176.429 176.093 0.336 1
1 1002 . 8 1 1 A 85 85 THR CA C 85 59.958 59.772 0.186 1
1 1003 . 8 1 1 A 85 85 THR CB C 85 72.646 71.836 0.810 1
1 1005 . 8 1 1 A 85 85 THR N N 85 111.404 114.325 -2.921 1
1 1006 . 8 1 1 A 86 86 SER H H 86 9.765 9.260 0.505 1
1 1007 . 8 1 1 A 86 86 SER HA H 86 4.242 4.143 0.099 1
1 1010 . 8 1 1 A 86 86 SER C C 86 174.834 176.662 -1.828 1
1 1011 . 8 1 1 A 86 86 SER CA C 86 61.014 61.811 -0.797 1
1 1012 . 8 1 1 A 86 86 SER CB C 86 62.807 62.652 0.155 1
1 1013 . 8 1 1 A 86 86 SER N N 86 115.745 117.405 -1.660 1
1 1014 . 8 1 1 A 87 87 LYS H H 87 7.947 7.880 0.067 1
1 1015 . 8 1 1 A 87 87 LYS HA H 87 4.426 4.198 0.228 1
1 1024 . 8 1 1 A 87 87 LYS C C 87 176.373 177.164 -0.791 1
1 1025 . 8 1 1 A 87 87 LYS CA C 87 55.857 58.941 -3.084 1
1 1026 . 8 1 1 A 87 87 LYS CB C 87 33.386 32.859 0.527 1
1 1030 . 8 1 1 A 87 87 LYS N N 87 118.254 120.708 -2.454 1
1 1031 . 8 1 1 A 88 88 GLY H H 88 7.400 6.932 0.468 1
1 1032 . 8 1 1 A 88 88 GLY HA2 H 88 4.446 4.124 0.322 1
1 1033 . 8 1 1 A 88 88 GLY HA3 H 88 3.990 4.258 -0.268 1
1 1034 . 8 1 1 A 88 88 GLY C C 88 171.366 171.455 -0.089 1
1 1035 . 8 1 1 A 88 88 GLY CA C 88 45.006 46.208 -1.202 1
1 1036 . 8 1 1 A 88 88 GLY N N 88 106.086 104.107 1.979 1
1 1037 . 8 1 1 A 89 89 SER H H 89 8.048 8.240 -0.192 1
1 1038 . 8 1 1 A 89 89 SER HA H 89 3.899 4.591 -0.692 1
1 1041 . 8 1 1 A 89 89 SER CA C 89 56.522 55.658 0.864 1
1 1042 . 8 1 1 A 89 89 SER CB C 89 63.965 65.074 -1.109 1
1 1043 . 8 1 1 A 89 89 SER N N 89 113.549 116.743 -3.194 1
1 1044 . 8 1 1 A 90 90 GLY H H 90 8.282 7.965 0.317 1
1 1045 . 8 1 1 A 90 90 GLY HA2 H 90 4.637 4.021 0.616 1
1 1046 . 8 1 1 A 90 90 GLY HA3 H 90 3.696 4.029 -0.333 1
1 1047 . 8 1 1 A 90 90 GLY CA C 90 44.399 43.949 0.450 1
1 1048 . 8 1 1 A 90 90 GLY N N 90 109.030 110.968 -1.938 1
1 1049 . 8 1 1 A 91 91 PRO HA H 91 4.448 4.536 -0.088 1
1 1056 . 8 1 1 A 91 91 PRO C C 91 177.760 175.127 2.633 1
1 1057 . 8 1 1 A 91 91 PRO CA C 91 62.229 62.443 -0.214 1
1 1058 . 8 1 1 A 91 91 PRO CB C 91 32.367 33.356 -0.989 1
1 1061 . 8 1 1 A 92 92 LEU H H 92 8.373 8.337 0.036 1
1 1062 . 8 1 1 A 92 92 LEU HA H 92 4.110 4.722 -0.612 1
1 1072 . 8 1 1 A 92 92 LEU C C 92 176.841 176.409 0.432 1
1 1073 . 8 1 1 A 92 92 LEU CA C 92 55.163 53.535 1.628 1
1 1074 . 8 1 1 A 92 92 LEU CB C 92 43.188 43.463 -0.275 1
1 1078 . 8 1 1 A 92 92 LEU N N 92 121.096 121.827 -0.731 1
1 1079 . 8 1 1 A 93 93 SER H H 93 8.629 9.133 -0.504 1
1 1080 . 8 1 1 A 93 93 SER HA H 93 3.683 4.239 -0.556 1
1 1083 . 8 1 1 A 93 93 SER C C 93 171.637 173.694 -2.057 1
1 1084 . 8 1 1 A 93 93 SER CA C 93 56.900 56.899 0.001 1
1 1085 . 8 1 1 A 93 93 SER CB C 93 62.923 62.839 0.084 1
1 1086 . 8 1 1 A 93 93 SER N N 93 116.072 121.066 -4.994 1
1 1087 . 8 1 1 A 94 94 PRO HA H 94 4.330 4.501 -0.171 1
1 1094 . 8 1 1 A 94 94 PRO C C 94 178.093 177.196 0.897 1
1 1095 . 8 1 1 A 94 94 PRO CA C 94 63.309 62.635 0.674 1
1 1096 . 8 1 1 A 94 94 PRO CB C 94 31.463 31.748 -0.285 1
1 1099 . 8 1 1 A 95 95 SER H H 95 8.722 8.365 0.357 1
1 1100 . 8 1 1 A 95 95 SER HA H 95 4.923 4.838 0.085 1
1 1103 . 8 1 1 A 95 95 SER C C 95 176.215 175.409 0.806 1
1 1104 . 8 1 1 A 95 95 SER CA C 95 58.955 58.147 0.808 1
1 1105 . 8 1 1 A 95 95 SER CB C 95 64.884 64.134 0.750 1
1 1106 . 8 1 1 A 95 95 SER N N 95 122.184 115.128 7.056 1
1 1107 . 8 1 1 A 96 96 ILE H H 96 8.915 8.610 0.305 1
1 1108 . 8 1 1 A 96 96 ILE HA H 96 4.609 4.496 0.113 1
1 1118 . 8 1 1 A 96 96 ILE C C 96 174.546 176.330 -1.784 1
1 1119 . 8 1 1 A 96 96 ILE CA C 96 59.782 61.156 -1.374 1
1 1120 . 8 1 1 A 96 96 ILE CB C 96 40.995 39.806 1.189 1
1 1124 . 8 1 1 A 96 96 ILE N N 96 115.463 119.890 -4.427 1
1 1125 . 8 1 1 A 97 97 GLN H H 97 8.292 7.837 0.455 1
1 1126 . 8 1 1 A 97 97 GLN HA H 97 5.849 4.291 1.558 1
1 1133 . 8 1 1 A 97 97 GLN C C 97 176.173 174.580 1.593 1
1 1134 . 8 1 1 A 97 97 GLN CA C 97 54.361 56.882 -2.521 1
1 1135 . 8 1 1 A 97 97 GLN CB C 97 31.102 26.531 4.571 1
1 1137 . 8 1 1 A 97 97 GLN N N 97 117.686 117.997 -0.311 1
1 1139 . 8 1 1 A 98 98 SER H H 98 8.751 7.387 1.364 1
1 1140 . 8 1 1 A 98 98 SER HA H 98 4.618 4.545 0.073 1
1 1143 . 8 1 1 A 98 98 SER C C 98 172.310 173.631 -1.321 1
1 1144 . 8 1 1 A 98 98 SER CA C 98 57.019 57.955 -0.936 1
1 1145 . 8 1 1 A 98 98 SER CB C 98 64.588 63.317 1.271 1
1 1146 . 8 1 1 A 98 98 SER N N 98 115.969 113.318 2.651 1
1 1147 . 8 1 1 A 99 99 ARG H H 99 8.519 8.814 -0.295 1
1 1148 . 8 1 1 A 99 99 ARG HA H 99 5.627 4.975 0.652 1
1 1156 . 8 1 1 A 99 99 ARG C C 99 176.394 175.964 0.430 1
1 1157 . 8 1 1 A 99 99 ARG CA C 99 53.705 56.177 -2.472 1
1 1158 . 8 1 1 A 99 99 ARG CB C 99 32.853 30.981 1.872 1
1 1161 . 8 1 1 A 99 99 ARG N N 99 132.343 129.564 2.779 1
1 1163 . 8 1 1 A 100 100 THR H H 100 8.808 8.253 0.555 1
1 1164 . 8 1 1 A 100 100 THR HA H 100 4.182 4.316 -0.134 1
1 1169 . 8 1 1 A 100 100 THR C C 100 175.465 174.436 1.029 1
1 1170 . 8 1 1 A 100 100 THR CA C 100 61.701 62.536 -0.835 1
1 1171 . 8 1 1 A 100 100 THR CB C 100 69.515 70.031 -0.516 1
1 1173 . 8 1 1 A 100 100 THR N N 100 116.147 118.284 -2.137 1
1 1174 . 8 1 1 A 101 101 MET H H 101 7.254 8.510 -1.256 1
1 1175 . 8 1 1 A 101 101 MET HA H 101 4.504 4.696 -0.192 1
1 1183 . 8 1 1 A 101 101 MET C C 101 174.574 175.273 -0.699 1
1 1184 . 8 1 1 A 101 101 MET CA C 101 54.324 54.030 0.294 1
1 1185 . 8 1 1 A 101 101 MET CB C 101 32.235 32.459 -0.224 1
1 1188 . 8 1 1 A 101 101 MET N N 101 117.475 120.795 -3.320 1
1 1189 . 8 1 1 A 102 102 PRO HA H 102 4.647 4.719 -0.072 1
1 1196 . 8 1 1 A 102 102 PRO CA C 102 62.553 62.425 0.128 1
1 1197 . 8 1 1 A 102 102 PRO CB C 102 32.011 30.603 1.408 1
1 1 . 9 1 1 A 6 6 SER HA H 6 4.535 5.120 -0.585 1
1 4 . 9 1 1 A 6 6 SER CA C 6 58.104 56.691 1.413 1
1 5 . 9 1 1 A 6 6 SER CB C 6 64.201 66.169 -1.968 1
1 6 . 9 1 1 A 7 7 GLY H H 7 7.998 8.319 -0.321 1
1 7 . 9 1 1 A 7 7 GLY HA2 H 7 3.978 4.063 -0.085 1
1 8 . 9 1 1 A 7 7 GLY HA3 H 7 3.515 4.093 -0.578 1
1 9 . 9 1 1 A 7 7 GLY CA C 7 44.050 44.221 -0.171 1
1 10 . 9 1 1 A 7 7 GLY N N 7 108.741 107.659 1.082 1
1 11 . 9 1 1 A 8 8 PRO HA H 8 4.324 4.688 -0.364 1
1 18 . 9 1 1 A 8 8 PRO CA C 8 63.624 62.543 1.081 1
1 19 . 9 1 1 A 8 8 PRO CB C 8 32.235 32.803 -0.568 1
1 22 . 9 1 1 A 9 9 SER H H 9 8.323 8.359 -0.036 1
1 23 . 9 1 1 A 9 9 SER HA H 9 4.512 4.755 -0.243 1
1 26 . 9 1 1 A 9 9 SER C C 9 174.410 174.210 0.200 1
1 27 . 9 1 1 A 9 9 SER CA C 9 57.701 57.378 0.323 1
1 28 . 9 1 1 A 9 9 SER CB C 9 63.909 63.800 0.109 1
1 29 . 9 1 1 A 9 9 SER N N 9 115.299 112.376 2.923 1
1 30 . 9 1 1 A 10 10 GLY H H 10 7.439 7.755 -0.316 1
1 31 . 9 1 1 A 10 10 GLY HA2 H 10 4.383 4.109 0.274 1
1 32 . 9 1 1 A 10 10 GLY HA3 H 10 3.951 4.141 -0.190 1
1 33 . 9 1 1 A 10 10 GLY C C 10 172.743 173.411 -0.668 1
1 34 . 9 1 1 A 10 10 GLY CA C 10 43.924 44.647 -0.723 1
1 35 . 9 1 1 A 10 10 GLY N N 10 107.797 109.941 -2.144 1
1 36 . 9 1 1 A 11 11 PHE H H 11 7.534 8.723 -1.189 1
1 37 . 9 1 1 A 11 11 PHE HA H 11 5.519 4.969 0.550 1
1 44 . 9 1 1 A 11 11 PHE C C 11 173.822 174.951 -1.129 1
1 45 . 9 1 1 A 11 11 PHE CA C 11 52.513 55.254 -2.741 1
1 46 . 9 1 1 A 11 11 PHE CB C 11 38.744 38.597 0.147 1
1 51 . 9 1 1 A 11 11 PHE N N 11 115.246 122.644 -7.398 1
1 52 . 9 1 1 A 12 12 PRO HA H 12 4.285 4.729 -0.444 1
1 59 . 9 1 1 A 12 12 PRO C C 12 175.173 175.393 -0.220 1
1 60 . 9 1 1 A 12 12 PRO CA C 12 63.707 62.569 1.138 1
1 61 . 9 1 1 A 12 12 PRO CB C 12 32.344 33.316 -0.972 1
1 64 . 9 1 1 A 13 13 GLN H H 13 7.469 8.249 -0.780 1
1 65 . 9 1 1 A 13 13 GLN HA H 13 4.511 4.824 -0.313 1
1 72 . 9 1 1 A 13 13 GLN C C 13 175.349 175.167 0.182 1
1 73 . 9 1 1 A 13 13 GLN CA C 13 54.572 54.366 0.206 1
1 74 . 9 1 1 A 13 13 GLN CB C 13 32.848 31.581 1.267 1
1 76 . 9 1 1 A 13 13 GLN N N 13 120.555 119.048 1.507 1
1 78 . 9 1 1 A 14 14 ASN H H 14 8.978 8.879 0.099 1
1 79 . 9 1 1 A 14 14 ASN HA H 14 4.424 4.422 0.002 1
1 84 . 9 1 1 A 14 14 ASN C C 14 174.770 173.847 0.923 1
1 85 . 9 1 1 A 14 14 ASN CA C 14 54.079 54.202 -0.123 1
1 86 . 9 1 1 A 14 14 ASN CB C 14 37.343 36.954 0.389 1
1 87 . 9 1 1 A 14 14 ASN N N 14 114.024 116.010 -1.986 1
1 89 . 9 1 1 A 15 15 LEU H H 15 8.437 7.986 0.451 1
1 90 . 9 1 1 A 15 15 LEU HA H 15 5.062 4.695 0.367 1
1 100 . 9 1 1 A 15 15 LEU C C 15 177.001 175.356 1.645 1
1 101 . 9 1 1 A 15 15 LEU CA C 15 56.667 54.742 1.925 1
1 102 . 9 1 1 A 15 15 LEU CB C 15 41.720 42.358 -0.638 1
1 106 . 9 1 1 A 15 15 LEU N N 15 121.843 121.684 0.159 1
1 107 . 9 1 1 A 16 16 HIS H H 16 9.492 7.790 1.702 1
1 108 . 9 1 1 A 16 16 HIS HA H 16 4.987 5.260 -0.273 1
1 113 . 9 1 1 A 16 16 HIS C C 16 171.333 171.882 -0.549 1
1 114 . 9 1 1 A 16 16 HIS CA C 16 55.153 54.288 0.865 1
1 115 . 9 1 1 A 16 16 HIS CB C 16 30.515 31.953 -1.438 1
1 118 . 9 1 1 A 16 16 HIS N N 16 121.636 121.586 0.050 1
1 119 . 9 1 1 A 17 17 VAL H H 17 8.606 8.740 -0.134 1
1 120 . 9 1 1 A 17 17 VAL HA H 17 4.663 4.383 0.280 1
1 128 . 9 1 1 A 17 17 VAL C C 17 177.740 176.353 1.387 1
1 129 . 9 1 1 A 17 17 VAL CA C 17 61.771 61.962 -0.191 1
1 130 . 9 1 1 A 17 17 VAL CB C 17 33.476 33.194 0.282 1
1 133 . 9 1 1 A 17 17 VAL N N 17 120.868 118.760 2.108 1
1 134 . 9 1 1 A 18 18 THR H H 18 9.022 8.749 0.273 1
1 135 . 9 1 1 A 18 18 THR HA H 18 4.516 4.206 0.310 1
1 140 . 9 1 1 A 18 18 THR C C 18 174.913 174.681 0.232 1
1 141 . 9 1 1 A 18 18 THR CA C 18 61.472 64.683 -3.211 1
1 142 . 9 1 1 A 18 18 THR CB C 18 68.725 69.734 -1.009 1
1 144 . 9 1 1 A 18 18 THR N N 18 117.096 122.701 -5.605 1
1 145 . 9 1 1 A 19 19 GLY H H 19 7.443 7.293 0.150 1
1 146 . 9 1 1 A 19 19 GLY HA2 H 19 4.177 4.059 0.118 1
1 147 . 9 1 1 A 19 19 GLY HA3 H 19 3.909 4.068 -0.159 1
1 148 . 9 1 1 A 19 19 GLY C C 19 170.720 172.663 -1.943 1
1 149 . 9 1 1 A 19 19 GLY CA C 19 45.877 45.678 0.199 1
1 150 . 9 1 1 A 19 19 GLY N N 19 111.594 108.308 3.286 1
1 151 . 9 1 1 A 20 20 LEU H H 20 8.400 8.681 -0.281 1
1 152 . 9 1 1 A 20 20 LEU HA H 20 4.803 4.381 0.422 1
1 162 . 9 1 1 A 20 20 LEU C C 20 175.350 176.135 -0.785 1
1 163 . 9 1 1 A 20 20 LEU CA C 20 55.557 54.413 1.144 1
1 164 . 9 1 1 A 20 20 LEU CB C 20 46.554 43.347 3.207 1
1 168 . 9 1 1 A 20 20 LEU N N 20 121.661 122.993 -1.332 1
1 169 . 9 1 1 A 21 21 THR H H 21 7.720 8.477 -0.757 1
1 170 . 9 1 1 A 21 21 THR HA H 21 4.900 4.685 0.215 1
1 175 . 9 1 1 A 21 21 THR C C 21 174.986 175.101 -0.115 1
1 176 . 9 1 1 A 21 21 THR CA C 21 61.049 61.022 0.027 1
1 177 . 9 1 1 A 21 21 THR CB C 21 71.081 72.555 -1.474 1
1 179 . 9 1 1 A 21 21 THR N N 21 112.043 112.350 -0.307 1
1 180 . 9 1 1 A 22 22 THR H H 22 7.782 8.821 -1.039 1
1 181 . 9 1 1 A 22 22 THR HA H 22 4.657 4.085 0.572 1
1 186 . 9 1 1 A 22 22 THR C C 22 174.110 176.256 -2.146 1
1 187 . 9 1 1 A 22 22 THR CA C 22 63.654 65.672 -2.018 1
1 188 . 9 1 1 A 22 22 THR CB C 22 69.834 68.308 1.526 1
1 190 . 9 1 1 A 22 22 THR N N 22 110.558 119.428 -8.870 1
1 191 . 9 1 1 A 23 23 SER H H 23 7.289 7.693 -0.404 1
1 192 . 9 1 1 A 23 23 SER HA H 23 4.717 4.892 -0.175 1
1 195 . 9 1 1 A 23 23 SER C C 23 173.680 174.288 -0.608 1
1 196 . 9 1 1 A 23 23 SER CA C 23 57.212 60.477 -3.265 1
1 197 . 9 1 1 A 23 23 SER CB C 23 66.012 64.248 1.764 1
1 198 . 9 1 1 A 23 23 SER N N 23 107.116 116.015 -8.899 1
1 199 . 9 1 1 A 24 24 THR H H 24 7.174 7.584 -0.410 1
1 200 . 9 1 1 A 24 24 THR HA H 24 5.377 4.731 0.646 1
1 205 . 9 1 1 A 24 24 THR C C 24 176.427 173.463 2.964 1
1 206 . 9 1 1 A 24 24 THR CA C 24 58.656 59.962 -1.306 1
1 207 . 9 1 1 A 24 24 THR CB C 24 73.018 71.526 1.492 1
1 209 . 9 1 1 A 24 24 THR N N 24 111.053 112.105 -1.052 1
1 210 . 9 1 1 A 25 25 THR H H 25 8.180 8.254 -0.074 1
1 211 . 9 1 1 A 25 25 THR HA H 25 4.608 4.830 -0.222 1
1 216 . 9 1 1 A 25 25 THR C C 25 170.451 173.632 -3.181 1
1 217 . 9 1 1 A 25 25 THR CA C 25 63.619 61.559 2.060 1
1 218 . 9 1 1 A 25 25 THR CB C 25 75.464 71.547 3.917 1
1 220 . 9 1 1 A 25 25 THR N N 25 117.664 116.032 1.632 1
1 221 . 9 1 1 A 26 26 GLU H H 26 9.197 8.434 0.763 1
1 222 . 9 1 1 A 26 26 GLU HA H 26 4.706 4.426 0.280 1
1 227 . 9 1 1 A 26 26 GLU C C 26 174.626 175.533 -0.907 1
1 228 . 9 1 1 A 26 26 GLU CA C 26 55.751 57.187 -1.436 1
1 229 . 9 1 1 A 26 26 GLU CB C 26 30.917 30.795 0.122 1
1 231 . 9 1 1 A 26 26 GLU N N 26 130.706 126.600 4.106 1
1 232 . 9 1 1 A 27 27 LEU H H 27 9.001 8.460 0.541 1
1 233 . 9 1 1 A 27 27 LEU HA H 27 5.273 5.139 0.134 1
1 243 . 9 1 1 A 27 27 LEU C C 27 176.770 175.646 1.124 1
1 244 . 9 1 1 A 27 27 LEU CA C 27 53.165 53.553 -0.388 1
1 245 . 9 1 1 A 27 27 LEU CB C 27 47.693 47.046 0.647 1
1 249 . 9 1 1 A 27 27 LEU N N 27 124.564 120.739 3.825 1
1 250 . 9 1 1 A 28 28 ALA H H 28 8.640 8.206 0.434 1
1 251 . 9 1 1 A 28 28 ALA HA H 28 4.577 4.698 -0.121 1
1 255 . 9 1 1 A 28 28 ALA C C 28 174.523 175.202 -0.679 1
1 256 . 9 1 1 A 28 28 ALA CA C 28 51.404 52.018 -0.614 1
1 257 . 9 1 1 A 28 28 ALA CB C 28 23.304 20.840 2.464 1
1 258 . 9 1 1 A 28 28 ALA N N 28 122.531 121.302 1.229 1
1 259 . 9 1 1 A 29 29 TRP H H 29 7.581 8.096 -0.515 1
1 260 . 9 1 1 A 29 29 TRP HA H 29 4.868 5.567 -0.699 1
1 269 . 9 1 1 A 29 29 TRP C C 29 172.280 173.014 -0.734 1
1 270 . 9 1 1 A 29 29 TRP CA C 29 56.948 54.731 2.217 1
1 271 . 9 1 1 A 29 29 TRP CB C 29 29.667 32.233 -2.566 1
1 277 . 9 1 1 A 29 29 TRP N N 29 115.551 120.267 -4.716 1
1 279 . 9 1 1 A 30 30 ASP H H 30 9.276 9.491 -0.215 1
1 280 . 9 1 1 A 30 30 ASP HA H 30 5.443 5.275 0.168 1
1 283 . 9 1 1 A 30 30 ASP C C 30 173.846 174.169 -0.323 1
1 284 . 9 1 1 A 30 30 ASP CA C 30 51.562 51.327 0.235 1
1 285 . 9 1 1 A 30 30 ASP CB C 30 42.533 43.557 -1.024 1
1 286 . 9 1 1 A 30 30 ASP N N 30 117.265 118.710 -1.445 1
1 287 . 9 1 1 A 31 31 PRO HA H 31 5.105 4.960 0.145 1
1 294 . 9 1 1 A 31 31 PRO CA C 31 61.905 61.609 0.296 1
1 295 . 9 1 1 A 31 31 PRO CB C 31 29.864 31.663 -1.799 1
1 298 . 9 1 1 A 32 32 PRO HA H 32 4.580 4.530 0.050 1
1 305 . 9 1 1 A 32 32 PRO CA C 32 62.036 62.839 -0.803 1
1 306 . 9 1 1 A 32 32 PRO CB C 32 30.840 32.174 -1.334 1
1 309 . 9 1 1 A 33 33 VAL H H 33 8.755 8.184 0.571 1
1 310 . 9 1 1 A 33 33 VAL HA H 33 3.994 4.214 -0.220 1
1 318 . 9 1 1 A 33 33 VAL CA C 33 62.553 62.248 0.305 1
1 319 . 9 1 1 A 33 33 VAL CB C 33 31.763 32.462 -0.699 1
1 322 . 9 1 1 A 33 33 VAL N N 33 120.113 119.813 0.300 1
1 323 . 9 1 1 A 34 34 LEU H H 34 8.469 8.721 -0.252 1
1 324 . 9 1 1 A 34 34 LEU HA H 34 3.768 3.953 -0.185 1
1 334 . 9 1 1 A 34 34 LEU CA C 34 58.809 57.690 1.119 1
1 335 . 9 1 1 A 34 34 LEU CB C 34 42.426 41.465 0.961 1
1 339 . 9 1 1 A 34 34 LEU N N 34 125.095 123.170 1.925 1
1 340 . 9 1 1 A 35 35 ALA H H 35 8.586 7.801 0.785 1
1 341 . 9 1 1 A 35 35 ALA HA H 35 4.171 4.163 0.008 1
1 345 . 9 1 1 A 35 35 ALA CA C 35 53.957 54.382 -0.425 1
1 346 . 9 1 1 A 35 35 ALA CB C 35 19.056 18.725 0.331 1
1 347 . 9 1 1 A 35 35 ALA N N 35 119.010 121.873 -2.863 1
1 348 . 9 1 1 A 36 36 GLU H H 36 8.070 8.112 -0.042 1
1 349 . 9 1 1 A 36 36 GLU HA H 36 4.305 4.563 -0.258 1
1 354 . 9 1 1 A 36 36 GLU CA C 36 55.527 55.276 0.251 1
1 355 . 9 1 1 A 36 36 GLU CB C 36 29.845 30.079 -0.234 1
1 357 . 9 1 1 A 36 36 GLU N N 36 115.604 116.026 -0.422 1
1 358 . 9 1 1 A 37 37 ARG HA H 37 3.758 4.881 -1.123 1
1 365 . 9 1 1 A 37 37 ARG CA C 37 60.050 54.799 5.251 1
1 366 . 9 1 1 A 37 37 ARG CB C 37 30.804 33.795 -2.991 1
1 369 . 9 1 1 A 37 37 ARG N N 37 122.198 123.453 -1.255 1
1 370 . 9 1 1 A 38 38 ASN H H 38 8.093 8.886 -0.793 1
1 371 . 9 1 1 A 38 38 ASN HA H 38 4.291 4.992 -0.701 1
1 376 . 9 1 1 A 38 38 ASN C C 38 174.619 174.870 -0.251 1
1 377 . 9 1 1 A 38 38 ASN CA C 38 53.287 52.442 0.845 1
1 378 . 9 1 1 A 38 38 ASN CB C 38 37.482 39.055 -1.573 1
1 379 . 9 1 1 A 38 38 ASN N N 38 109.319 122.457 -13.138 1
1 381 . 9 1 1 A 39 39 GLY H H 39 7.575 7.478 0.097 1
1 382 . 9 1 1 A 39 39 GLY HA2 H 39 4.320 4.155 0.165 1
1 383 . 9 1 1 A 39 39 GLY HA3 H 39 3.697 4.156 -0.459 1
1 384 . 9 1 1 A 39 39 GLY C C 39 172.138 172.331 -0.193 1
1 385 . 9 1 1 A 39 39 GLY CA C 39 43.766 45.159 -1.393 1
1 386 . 9 1 1 A 39 39 GLY N N 39 105.607 107.543 -1.936 1
1 387 . 9 1 1 A 40 40 ARG H H 40 8.180 8.383 -0.203 1
1 388 . 9 1 1 A 40 40 ARG HA H 40 4.333 5.115 -0.782 1
1 395 . 9 1 1 A 40 40 ARG C C 40 176.395 174.704 1.691 1
1 396 . 9 1 1 A 40 40 ARG CA C 40 55.453 54.001 1.452 1
1 397 . 9 1 1 A 40 40 ARG CB C 40 30.999 34.322 -3.323 1
1 400 . 9 1 1 A 40 40 ARG N N 40 119.566 122.442 -2.876 1
1 401 . 9 1 1 A 41 41 ILE H H 41 8.991 9.009 -0.018 1
1 402 . 9 1 1 A 41 41 ILE HA H 41 4.256 4.426 -0.170 1
1 412 . 9 1 1 A 41 41 ILE CA C 41 59.279 61.020 -1.741 1
1 413 . 9 1 1 A 41 41 ILE CB C 41 35.329 38.929 -3.600 1
1 417 . 9 1 1 A 41 41 ILE N N 41 127.226 122.716 4.510 1
1 418 . 9 1 1 A 42 42 ILE H H 42 8.721 8.751 -0.030 1
1 419 . 9 1 1 A 42 42 ILE HA H 42 4.475 4.521 -0.046 1
1 429 . 9 1 1 A 42 42 ILE C C 42 175.959 175.910 0.049 1
1 430 . 9 1 1 A 42 42 ILE CA C 42 61.208 61.225 -0.017 1
1 431 . 9 1 1 A 42 42 ILE CB C 42 39.771 39.595 0.176 1
1 435 . 9 1 1 A 42 42 ILE N N 42 122.018 120.692 1.326 1
1 436 . 9 1 1 A 43 43 SER H H 43 7.425 7.506 -0.081 1
1 437 . 9 1 1 A 43 43 SER HA H 43 4.555 4.856 -0.301 1
1 440 . 9 1 1 A 43 43 SER C C 43 170.232 171.633 -1.401 1
1 441 . 9 1 1 A 43 43 SER CA C 43 58.234 57.433 0.801 1
1 442 . 9 1 1 A 43 43 SER CB C 43 64.287 65.260 -0.973 1
1 443 . 9 1 1 A 43 43 SER N N 43 113.043 115.787 -2.744 1
1 444 . 9 1 1 A 44 44 TYR H H 44 9.297 8.430 0.867 1
1 445 . 9 1 1 A 44 44 TYR HA H 44 5.741 5.617 0.124 1
1 452 . 9 1 1 A 44 44 TYR C C 44 175.735 175.218 0.517 1
1 453 . 9 1 1 A 44 44 TYR CA C 44 57.137 56.580 0.557 1
1 454 . 9 1 1 A 44 44 TYR CB C 44 42.410 43.171 -0.761 1
1 459 . 9 1 1 A 44 44 TYR N N 44 116.157 120.965 -4.808 1
1 460 . 9 1 1 A 45 45 THR H H 45 8.778 8.880 -0.102 1
1 461 . 9 1 1 A 45 45 THR HA H 45 5.094 5.156 -0.062 1
1 466 . 9 1 1 A 45 45 THR C C 45 173.026 173.526 -0.500 1
1 467 . 9 1 1 A 45 45 THR CA C 45 61.853 61.741 0.112 1
1 468 . 9 1 1 A 45 45 THR CB C 45 71.072 69.972 1.100 1
1 470 . 9 1 1 A 45 45 THR N N 45 114.801 116.527 -1.726 1
1 471 . 9 1 1 A 46 46 VAL H H 46 9.145 8.811 0.334 1
1 472 . 9 1 1 A 46 46 VAL HA H 46 4.244 4.629 -0.385 1
1 480 . 9 1 1 A 46 46 VAL C C 46 174.278 175.271 -0.993 1
1 481 . 9 1 1 A 46 46 VAL CA C 46 61.137 62.275 -1.138 1
1 482 . 9 1 1 A 46 46 VAL CB C 46 32.999 30.857 2.142 1
1 485 . 9 1 1 A 46 46 VAL N N 46 127.180 127.810 -0.630 1
1 486 . 9 1 1 A 47 47 VAL H H 47 9.041 8.574 0.467 1
1 487 . 9 1 1 A 47 47 VAL HA H 47 5.004 4.762 0.242 1
1 495 . 9 1 1 A 47 47 VAL C C 47 175.023 175.487 -0.464 1
1 496 . 9 1 1 A 47 47 VAL CA C 47 60.996 61.897 -0.901 1
1 497 . 9 1 1 A 47 47 VAL CB C 47 33.488 31.908 1.580 1
1 500 . 9 1 1 A 47 47 VAL N N 47 128.169 128.741 -0.572 1
1 501 . 9 1 1 A 48 48 PHE H H 48 9.169 9.182 -0.013 1
1 502 . 9 1 1 A 48 48 PHE HA H 48 6.209 6.045 0.164 1
1 510 . 9 1 1 A 48 48 PHE C C 48 173.210 173.513 -0.303 1
1 511 . 9 1 1 A 48 48 PHE CA C 48 54.702 55.289 -0.587 1
1 512 . 9 1 1 A 48 48 PHE CB C 48 43.316 42.301 1.015 1
1 518 . 9 1 1 A 48 48 PHE N N 48 123.753 124.231 -0.478 1
1 519 . 9 1 1 A 49 49 ARG H H 49 8.693 8.697 -0.004 1
1 520 . 9 1 1 A 49 49 ARG HA H 49 4.817 4.803 0.014 1
1 528 . 9 1 1 A 49 49 ARG C C 49 175.280 174.087 1.193 1
1 529 . 9 1 1 A 49 49 ARG CA C 49 54.801 54.686 0.115 1
1 530 . 9 1 1 A 49 49 ARG CB C 49 35.242 34.372 0.870 1
1 533 . 9 1 1 A 49 49 ARG N N 49 118.793 121.530 -2.737 1
1 535 . 9 1 1 A 50 50 ASP H H 50 8.820 8.905 -0.085 1
1 536 . 9 1 1 A 50 50 ASP HA H 50 4.029 4.311 -0.282 1
1 539 . 9 1 1 A 50 50 ASP C C 50 178.592 177.755 0.837 1
1 540 . 9 1 1 A 50 50 ASP CA C 50 53.498 54.304 -0.806 1
1 541 . 9 1 1 A 50 50 ASP CB C 50 40.543 40.375 0.168 1
1 542 . 9 1 1 A 50 50 ASP N N 50 128.720 125.000 3.720 1
1 543 . 9 1 1 A 51 51 ILE H H 51 8.315 8.398 -0.083 1
1 544 . 9 1 1 A 51 51 ILE HA H 51 3.892 3.839 0.053 1
1 554 . 9 1 1 A 51 51 ILE C C 51 176.905 176.326 0.579 1
1 555 . 9 1 1 A 51 51 ILE CA C 51 64.569 63.194 1.375 1
1 556 . 9 1 1 A 51 51 ILE CB C 51 38.126 37.911 0.215 1
1 560 . 9 1 1 A 51 51 ILE N N 51 124.642 124.326 0.316 1
1 561 . 9 1 1 A 52 52 ASN H H 52 8.677 7.794 0.883 1
1 562 . 9 1 1 A 52 52 ASN HA H 52 4.760 4.779 -0.019 1
1 567 . 9 1 1 A 52 52 ASN C C 52 174.645 175.006 -0.361 1
1 568 . 9 1 1 A 52 52 ASN CA C 52 53.851 53.657 0.194 1
1 569 . 9 1 1 A 52 52 ASN CB C 52 39.032 39.676 -0.644 1
1 570 . 9 1 1 A 52 52 ASN N N 52 119.201 118.786 0.415 1
1 572 . 9 1 1 A 53 53 SER H H 53 8.409 8.030 0.379 1
1 573 . 9 1 1 A 53 53 SER HA H 53 4.663 4.898 -0.235 1
1 576 . 9 1 1 A 53 53 SER C C 53 173.861 173.891 -0.030 1
1 577 . 9 1 1 A 53 53 SER CA C 53 56.702 57.647 -0.945 1
1 578 . 9 1 1 A 53 53 SER CB C 53 65.730 66.664 -0.934 1
1 579 . 9 1 1 A 53 53 SER N N 53 116.494 114.922 1.572 1
1 580 . 9 1 1 A 54 54 GLN H H 54 8.489 8.457 0.032 1
1 581 . 9 1 1 A 54 54 GLN HA H 54 4.329 4.528 -0.199 1
1 588 . 9 1 1 A 54 54 GLN C C 54 175.789 175.493 0.296 1
1 589 . 9 1 1 A 54 54 GLN CA C 54 55.857 54.992 0.865 1
1 590 . 9 1 1 A 54 54 GLN CB C 54 28.847 28.160 0.687 1
1 592 . 9 1 1 A 54 54 GLN N N 54 119.700 118.718 0.982 1
1 594 . 9 1 1 A 55 55 GLN H H 55 8.108 7.676 0.432 1
1 595 . 9 1 1 A 55 55 GLN HA H 55 4.269 4.486 -0.217 1
1 602 . 9 1 1 A 55 55 GLN C C 55 174.076 174.969 -0.893 1
1 603 . 9 1 1 A 55 55 GLN CA C 55 55.689 55.146 0.543 1
1 604 . 9 1 1 A 55 55 GLN CB C 55 29.352 29.234 0.118 1
1 606 . 9 1 1 A 55 55 GLN N N 55 120.355 121.630 -1.275 1
1 608 . 9 1 1 A 56 56 GLU H H 56 8.603 8.791 -0.188 1
1 609 . 9 1 1 A 56 56 GLU HA H 56 4.372 4.705 -0.333 1
1 614 . 9 1 1 A 56 56 GLU C C 56 175.058 175.369 -0.311 1
1 615 . 9 1 1 A 56 56 GLU CA C 56 55.594 56.119 -0.525 1
1 616 . 9 1 1 A 56 56 GLU CB C 56 31.640 30.792 0.848 1
1 618 . 9 1 1 A 56 56 GLU N N 56 126.250 128.634 -2.384 1
1 619 . 9 1 1 A 57 57 LEU H H 57 8.520 7.933 0.587 1
1 620 . 9 1 1 A 57 57 LEU HA H 57 4.458 4.663 -0.205 1
1 630 . 9 1 1 A 57 57 LEU C C 57 174.850 174.970 -0.120 1
1 631 . 9 1 1 A 57 57 LEU CA C 57 53.780 53.356 0.424 1
1 632 . 9 1 1 A 57 57 LEU CB C 57 43.903 45.880 -1.977 1
1 636 . 9 1 1 A 57 57 LEU N N 57 127.205 125.895 1.310 1
1 637 . 9 1 1 A 58 58 GLN H H 58 7.992 8.569 -0.577 1
1 638 . 9 1 1 A 58 58 GLN HA H 58 5.865 5.428 0.437 1
1 645 . 9 1 1 A 58 58 GLN C C 58 175.948 174.427 1.521 1
1 646 . 9 1 1 A 58 58 GLN CA C 58 53.944 54.372 -0.428 1
1 647 . 9 1 1 A 58 58 GLN CB C 58 32.786 33.611 -0.825 1
1 649 . 9 1 1 A 58 58 GLN N N 58 113.562 120.465 -6.903 1
1 651 . 9 1 1 A 59 59 ASN H H 59 9.073 8.713 0.360 1
1 652 . 9 1 1 A 59 59 ASN HA H 59 5.068 5.408 -0.340 1
1 657 . 9 1 1 A 59 59 ASN C C 59 172.790 174.025 -1.235 1
1 658 . 9 1 1 A 59 59 ASN CA C 59 53.023 51.658 1.365 1
1 659 . 9 1 1 A 59 59 ASN CB C 59 45.541 42.931 2.610 1
1 660 . 9 1 1 A 59 59 ASN N N 59 119.984 117.318 2.666 1
1 662 . 9 1 1 A 60 60 ILE H H 60 8.491 8.413 0.078 1
1 663 . 9 1 1 A 60 60 ILE HA H 60 5.147 5.091 0.056 1
1 673 . 9 1 1 A 60 60 ILE C C 60 175.088 174.333 0.755 1
1 674 . 9 1 1 A 60 60 ILE CA C 60 59.853 60.016 -0.163 1
1 675 . 9 1 1 A 60 60 ILE CB C 60 40.891 41.987 -1.096 1
1 679 . 9 1 1 A 60 60 ILE N N 60 119.480 120.517 -1.037 1
1 680 . 9 1 1 A 61 61 THR H H 61 8.755 8.328 0.427 1
1 681 . 9 1 1 A 61 61 THR HA H 61 4.976 5.182 -0.206 1
1 686 . 9 1 1 A 61 61 THR C C 61 172.097 174.644 -2.547 1
1 687 . 9 1 1 A 61 61 THR CA C 61 59.905 60.313 -0.408 1
1 688 . 9 1 1 A 61 61 THR CB C 61 69.505 71.740 -2.235 1
1 690 . 9 1 1 A 61 61 THR N N 61 118.083 118.482 -0.399 1
1 691 . 9 1 1 A 62 62 THR H H 62 8.325 8.608 -0.283 1
1 692 . 9 1 1 A 62 62 THR HA H 62 4.641 4.339 0.302 1
1 697 . 9 1 1 A 62 62 THR C C 62 174.386 174.437 -0.051 1
1 698 . 9 1 1 A 62 62 THR CA C 62 62.440 63.550 -1.110 1
1 699 . 9 1 1 A 62 62 THR CB C 62 69.355 68.827 0.528 1
1 701 . 9 1 1 A 62 62 THR N N 62 115.077 117.996 -2.919 1
1 702 . 9 1 1 A 63 63 ASP H H 63 8.611 7.641 0.970 1
1 703 . 9 1 1 A 63 63 ASP HA H 63 4.962 4.989 -0.027 1
1 706 . 9 1 1 A 63 63 ASP C C 63 172.906 176.937 -4.031 1
1 707 . 9 1 1 A 63 63 ASP CA C 63 52.981 52.749 0.232 1
1 708 . 9 1 1 A 63 63 ASP CB C 63 43.465 42.407 1.058 1
1 709 . 9 1 1 A 63 63 ASP N N 63 125.713 122.278 3.435 1
1 710 . 9 1 1 A 64 64 THR H H 64 7.925 8.280 -0.355 1
1 711 . 9 1 1 A 64 64 THR HA H 64 3.088 3.730 -0.642 1
1 716 . 9 1 1 A 64 64 THR C C 64 172.176 171.843 0.333 1
1 717 . 9 1 1 A 64 64 THR CA C 64 59.078 61.449 -2.371 1
1 718 . 9 1 1 A 64 64 THR CB C 64 66.137 68.109 -1.972 1
1 720 . 9 1 1 A 64 64 THR N N 64 104.287 112.865 -8.578 1
1 721 . 9 1 1 A 65 65 ARG H H 65 6.387 7.344 -0.957 1
1 722 . 9 1 1 A 65 65 ARG HA H 65 4.221 3.878 0.343 1
1 729 . 9 1 1 A 65 65 ARG C C 65 174.862 174.273 0.589 1
1 730 . 9 1 1 A 65 65 ARG CA C 65 54.132 53.349 0.783 1
1 731 . 9 1 1 A 65 65 ARG CB C 65 32.928 33.998 -1.070 1
1 734 . 9 1 1 A 65 65 ARG N N 65 115.062 118.486 -3.424 1
1 735 . 9 1 1 A 66 66 PHE H H 66 8.177 8.946 -0.769 1
1 736 . 9 1 1 A 66 66 PHE HA H 66 4.373 4.889 -0.516 1
1 744 . 9 1 1 A 66 66 PHE C C 66 172.804 173.187 -0.383 1
1 745 . 9 1 1 A 66 66 PHE CA C 66 59.536 58.200 1.336 1
1 746 . 9 1 1 A 66 66 PHE CB C 66 44.469 41.521 2.948 1
1 752 . 9 1 1 A 66 66 PHE N N 66 119.991 119.456 0.535 1
1 753 . 9 1 1 A 67 67 THR H H 67 7.332 7.303 0.029 1
1 754 . 9 1 1 A 67 67 THR HA H 67 4.628 5.195 -0.567 1
1 759 . 9 1 1 A 67 67 THR C C 67 172.910 173.762 -0.852 1
1 760 . 9 1 1 A 67 67 THR CA C 67 61.261 61.142 0.119 1
1 761 . 9 1 1 A 67 67 THR CB C 67 69.260 71.305 -2.045 1
1 763 . 9 1 1 A 67 67 THR N N 67 123.294 116.790 6.504 1
1 764 . 9 1 1 A 68 68 LEU H H 68 8.776 8.980 -0.204 1
1 765 . 9 1 1 A 68 68 LEU HA H 68 4.192 4.190 0.002 1
1 775 . 9 1 1 A 68 68 LEU C C 68 176.337 175.879 0.458 1
1 776 . 9 1 1 A 68 68 LEU CA C 68 54.394 54.688 -0.294 1
1 777 . 9 1 1 A 68 68 LEU CB C 68 42.394 42.352 0.042 1
1 781 . 9 1 1 A 68 68 LEU N N 68 126.969 127.742 -0.773 1
1 782 . 9 1 1 A 69 69 THR H H 69 7.921 8.261 -0.340 1
1 783 . 9 1 1 A 69 69 THR HA H 69 4.814 4.682 0.132 1
1 788 . 9 1 1 A 69 69 THR C C 69 173.856 173.552 0.304 1
1 789 . 9 1 1 A 69 69 THR CA C 69 59.694 60.609 -0.915 1
1 790 . 9 1 1 A 69 69 THR CB C 69 71.829 71.528 0.301 1
1 792 . 9 1 1 A 69 69 THR N N 69 111.246 111.449 -0.203 1
1 793 . 9 1 1 A 70 70 GLY H H 70 8.894 8.684 0.210 1
1 794 . 9 1 1 A 70 70 GLY HA2 H 70 3.930 3.872 0.058 1
1 795 . 9 1 1 A 70 70 GLY HA3 H 70 3.809 3.899 -0.090 1
1 796 . 9 1 1 A 70 70 GLY C C 70 175.589 174.448 1.141 1
1 797 . 9 1 1 A 70 70 GLY CA C 70 46.178 46.938 -0.760 1
1 798 . 9 1 1 A 70 70 GLY N N 70 107.415 112.137 -4.722 1
1 799 . 9 1 1 A 71 71 LEU H H 71 8.341 7.793 0.548 1
1 800 . 9 1 1 A 71 71 LEU HA H 71 4.195 4.944 -0.749 1
1 810 . 9 1 1 A 71 71 LEU C C 71 175.422 175.089 0.333 1
1 811 . 9 1 1 A 71 71 LEU CA C 71 53.429 52.927 0.502 1
1 812 . 9 1 1 A 71 71 LEU CB C 71 40.650 43.796 -3.146 1
1 816 . 9 1 1 A 71 71 LEU N N 71 118.621 120.088 -1.467 1
1 817 . 9 1 1 A 72 72 LYS H H 72 8.298 9.391 -1.093 1
1 818 . 9 1 1 A 72 72 LYS HA H 72 4.631 4.849 -0.218 1
1 827 . 9 1 1 A 72 72 LYS C C 72 174.599 175.320 -0.721 1
1 828 . 9 1 1 A 72 72 LYS CA C 72 53.851 54.031 -0.180 1
1 829 . 9 1 1 A 72 72 LYS CB C 72 33.619 34.251 -0.632 1
1 833 . 9 1 1 A 72 72 LYS N N 72 121.340 122.326 -0.986 1
1 834 . 9 1 1 A 73 73 PRO HA H 73 5.086 4.703 0.383 1
1 841 . 9 1 1 A 73 73 PRO C C 73 178.198 177.248 0.950 1
1 842 . 9 1 1 A 73 73 PRO CA C 73 62.897 63.314 -0.417 1
1 843 . 9 1 1 A 73 73 PRO CB C 73 33.198 32.245 0.953 1
1 846 . 9 1 1 A 74 74 ASP H H 74 7.537 9.040 -1.503 1
1 847 . 9 1 1 A 74 74 ASP HA H 74 4.290 4.284 0.006 1
1 850 . 9 1 1 A 74 74 ASP C C 74 174.390 174.658 -0.268 1
1 851 . 9 1 1 A 74 74 ASP CA C 74 54.343 55.203 -0.860 1
1 852 . 9 1 1 A 74 74 ASP CB C 74 41.393 39.731 1.662 1
1 853 . 9 1 1 A 74 74 ASP N N 74 126.834 121.348 5.486 1
1 854 . 9 1 1 A 75 75 THR H H 75 8.197 7.287 0.910 1
1 855 . 9 1 1 A 75 75 THR HA H 75 4.316 4.898 -0.582 1
1 860 . 9 1 1 A 75 75 THR C C 75 172.076 173.376 -1.300 1
1 861 . 9 1 1 A 75 75 THR CA C 75 63.087 61.187 1.900 1
1 862 . 9 1 1 A 75 75 THR CB C 75 71.822 72.300 -0.478 1
1 864 . 9 1 1 A 75 75 THR N N 75 113.905 112.530 1.375 1
1 865 . 9 1 1 A 76 76 THR H H 76 8.606 8.752 -0.146 1
1 866 . 9 1 1 A 76 76 THR HA H 76 4.641 4.444 0.197 1
1 871 . 9 1 1 A 76 76 THR C C 76 172.308 174.040 -1.732 1
1 872 . 9 1 1 A 76 76 THR CA C 76 63.197 63.405 -0.208 1
1 873 . 9 1 1 A 76 76 THR CB C 76 68.333 69.371 -1.038 1
1 875 . 9 1 1 A 76 76 THR N N 76 124.170 121.220 2.950 1
1 876 . 9 1 1 A 77 77 TYR H H 77 9.230 8.687 0.543 1
1 877 . 9 1 1 A 77 77 TYR HA H 77 5.084 5.052 0.032 1
1 884 . 9 1 1 A 77 77 TYR C C 77 174.065 174.425 -0.360 1
1 885 . 9 1 1 A 77 77 TYR CA C 77 57.443 56.370 1.073 1
1 886 . 9 1 1 A 77 77 TYR CB C 77 41.115 40.194 0.921 1
1 891 . 9 1 1 A 77 77 TYR N N 77 125.729 125.951 -0.222 1
1 892 . 9 1 1 A 78 78 ASP H H 78 9.222 9.213 0.009 1
1 893 . 9 1 1 A 78 78 ASP HA H 78 5.288 4.785 0.503 1
1 896 . 9 1 1 A 78 78 ASP C C 78 176.268 174.773 1.495 1
1 897 . 9 1 1 A 78 78 ASP CA C 78 53.565 54.107 -0.542 1
1 898 . 9 1 1 A 78 78 ASP CB C 78 44.874 40.610 4.264 1
1 899 . 9 1 1 A 78 78 ASP N N 78 124.016 125.467 -1.451 1
1 900 . 9 1 1 A 79 79 ILE H H 79 9.210 8.733 0.477 1
1 901 . 9 1 1 A 79 79 ILE HA H 79 5.027 5.422 -0.395 1
1 911 . 9 1 1 A 79 79 ILE C C 79 172.968 174.753 -1.785 1
1 912 . 9 1 1 A 79 79 ILE CA C 79 61.102 59.701 1.401 1
1 913 . 9 1 1 A 79 79 ILE CB C 79 41.830 40.095 1.735 1
1 917 . 9 1 1 A 79 79 ILE N N 79 127.527 126.923 0.604 1
1 918 . 9 1 1 A 80 80 LYS H H 80 8.930 9.307 -0.377 1
1 919 . 9 1 1 A 80 80 LYS HA H 80 4.282 5.052 -0.770 1
1 928 . 9 1 1 A 80 80 LYS C C 80 173.716 174.310 -0.594 1
1 929 . 9 1 1 A 80 80 LYS CA C 80 54.749 53.990 0.759 1
1 930 . 9 1 1 A 80 80 LYS CB C 80 37.864 36.887 0.977 1
1 934 . 9 1 1 A 80 80 LYS N N 80 122.620 124.472 -1.852 1
1 935 . 9 1 1 A 81 81 VAL H H 81 8.070 8.840 -0.770 1
1 936 . 9 1 1 A 81 81 VAL HA H 81 5.365 4.987 0.378 1
1 944 . 9 1 1 A 81 81 VAL C C 81 174.099 173.683 0.416 1
1 945 . 9 1 1 A 81 81 VAL CA C 81 59.228 59.459 -0.231 1
1 946 . 9 1 1 A 81 81 VAL CB C 81 36.108 35.140 0.968 1
1 949 . 9 1 1 A 81 81 VAL N N 81 115.045 119.216 -4.171 1
1 950 . 9 1 1 A 82 82 ARG H H 82 8.733 8.870 -0.137 1
1 951 . 9 1 1 A 82 82 ARG HA H 82 4.984 5.110 -0.126 1
1 959 . 9 1 1 A 82 82 ARG C C 82 172.874 174.303 -1.429 1
1 960 . 9 1 1 A 82 82 ARG CA C 82 53.552 54.909 -1.357 1
1 961 . 9 1 1 A 82 82 ARG CB C 82 34.521 34.041 0.480 1
1 964 . 9 1 1 A 82 82 ARG N N 82 122.032 122.589 -0.557 1
1 966 . 9 1 1 A 83 83 ALA H H 83 9.221 8.572 0.649 1
1 967 . 9 1 1 A 83 83 ALA HA H 83 5.132 4.067 1.065 1
1 971 . 9 1 1 A 83 83 ALA C C 83 174.998 176.974 -1.976 1
1 972 . 9 1 1 A 83 83 ALA CA C 83 50.383 51.670 -1.287 1
1 973 . 9 1 1 A 83 83 ALA CB C 83 23.472 19.662 3.810 1
1 974 . 9 1 1 A 83 83 ALA N N 83 124.044 125.370 -1.326 1
1 975 . 9 1 1 A 84 84 TRP H H 84 8.387 8.746 -0.359 1
1 976 . 9 1 1 A 84 84 TRP HA H 84 5.020 5.323 -0.303 1
1 985 . 9 1 1 A 84 84 TRP C C 84 177.430 175.541 1.889 1
1 986 . 9 1 1 A 84 84 TRP CA C 84 56.807 56.050 0.757 1
1 987 . 9 1 1 A 84 84 TRP CB C 84 31.235 32.333 -1.098 1
1 993 . 9 1 1 A 84 84 TRP N N 84 117.779 120.692 -2.913 1
1 995 . 9 1 1 A 85 85 THR H H 85 8.698 8.955 -0.257 1
1 996 . 9 1 1 A 85 85 THR HA H 85 5.190 5.162 0.028 1
1 1001 . 9 1 1 A 85 85 THR C C 85 176.429 175.866 0.563 1
1 1002 . 9 1 1 A 85 85 THR CA C 85 59.958 59.964 -0.006 1
1 1003 . 9 1 1 A 85 85 THR CB C 85 72.646 71.721 0.925 1
1 1005 . 9 1 1 A 85 85 THR N N 85 111.404 112.924 -1.520 1
1 1006 . 9 1 1 A 86 86 SER H H 86 9.765 9.070 0.695 1
1 1007 . 9 1 1 A 86 86 SER HA H 86 4.242 4.195 0.047 1
1 1010 . 9 1 1 A 86 86 SER C C 86 174.834 176.440 -1.606 1
1 1011 . 9 1 1 A 86 86 SER CA C 86 61.014 61.487 -0.473 1
1 1012 . 9 1 1 A 86 86 SER CB C 86 62.807 62.635 0.172 1
1 1013 . 9 1 1 A 86 86 SER N N 86 115.745 116.477 -0.732 1
1 1014 . 9 1 1 A 87 87 LYS H H 87 7.947 7.835 0.112 1
1 1015 . 9 1 1 A 87 87 LYS HA H 87 4.426 4.248 0.178 1
1 1024 . 9 1 1 A 87 87 LYS C C 87 176.373 177.150 -0.777 1
1 1025 . 9 1 1 A 87 87 LYS CA C 87 55.857 58.667 -2.810 1
1 1026 . 9 1 1 A 87 87 LYS CB C 87 33.386 33.117 0.269 1
1 1030 . 9 1 1 A 87 87 LYS N N 87 118.254 120.052 -1.798 1
1 1031 . 9 1 1 A 88 88 GLY H H 88 7.400 7.008 0.392 1
1 1032 . 9 1 1 A 88 88 GLY HA2 H 88 4.446 4.117 0.329 1
1 1033 . 9 1 1 A 88 88 GLY HA3 H 88 3.990 4.229 -0.239 1
1 1034 . 9 1 1 A 88 88 GLY C C 88 171.366 172.031 -0.665 1
1 1035 . 9 1 1 A 88 88 GLY CA C 88 45.006 46.171 -1.165 1
1 1036 . 9 1 1 A 88 88 GLY N N 88 106.086 104.155 1.931 1
1 1037 . 9 1 1 A 89 89 SER H H 89 8.048 8.544 -0.496 1
1 1038 . 9 1 1 A 89 89 SER HA H 89 3.899 4.788 -0.889 1
1 1041 . 9 1 1 A 89 89 SER CA C 89 56.522 55.711 0.811 1
1 1042 . 9 1 1 A 89 89 SER CB C 89 63.965 65.515 -1.550 1
1 1043 . 9 1 1 A 89 89 SER N N 89 113.549 116.225 -2.676 1
1 1044 . 9 1 1 A 90 90 GLY H H 90 8.282 7.874 0.408 1
1 1045 . 9 1 1 A 90 90 GLY HA2 H 90 4.637 4.069 0.568 1
1 1046 . 9 1 1 A 90 90 GLY HA3 H 90 3.696 4.076 -0.380 1
1 1047 . 9 1 1 A 90 90 GLY CA C 90 44.399 44.128 0.271 1
1 1048 . 9 1 1 A 90 90 GLY N N 90 109.030 106.782 2.248 1
1 1049 . 9 1 1 A 91 91 PRO HA H 91 4.448 4.544 -0.096 1
1 1056 . 9 1 1 A 91 91 PRO C C 91 177.760 175.111 2.649 1
1 1057 . 9 1 1 A 91 91 PRO CA C 91 62.229 62.533 -0.304 1
1 1058 . 9 1 1 A 91 91 PRO CB C 91 32.367 33.242 -0.875 1
1 1061 . 9 1 1 A 92 92 LEU H H 92 8.373 8.348 0.025 1
1 1062 . 9 1 1 A 92 92 LEU HA H 92 4.110 4.752 -0.642 1
1 1072 . 9 1 1 A 92 92 LEU C C 92 176.841 176.398 0.443 1
1 1073 . 9 1 1 A 92 92 LEU CA C 92 55.163 53.524 1.639 1
1 1074 . 9 1 1 A 92 92 LEU CB C 92 43.188 43.383 -0.195 1
1 1078 . 9 1 1 A 92 92 LEU N N 92 121.096 122.016 -0.920 1
1 1079 . 9 1 1 A 93 93 SER H H 93 8.629 9.133 -0.504 1
1 1080 . 9 1 1 A 93 93 SER HA H 93 3.683 4.299 -0.616 1
1 1083 . 9 1 1 A 93 93 SER C C 93 171.637 173.700 -2.063 1
1 1084 . 9 1 1 A 93 93 SER CA C 93 56.900 56.930 -0.030 1
1 1085 . 9 1 1 A 93 93 SER CB C 93 62.923 62.849 0.074 1
1 1086 . 9 1 1 A 93 93 SER N N 93 116.072 121.086 -5.014 1
1 1087 . 9 1 1 A 94 94 PRO HA H 94 4.330 4.505 -0.175 1
1 1094 . 9 1 1 A 94 94 PRO C C 94 178.093 177.165 0.928 1
1 1095 . 9 1 1 A 94 94 PRO CA C 94 63.309 62.637 0.672 1
1 1096 . 9 1 1 A 94 94 PRO CB C 94 31.463 31.752 -0.289 1
1 1099 . 9 1 1 A 95 95 SER H H 95 8.722 8.341 0.381 1
1 1100 . 9 1 1 A 95 95 SER HA H 95 4.923 4.957 -0.034 1
1 1103 . 9 1 1 A 95 95 SER C C 95 176.215 175.405 0.810 1
1 1104 . 9 1 1 A 95 95 SER CA C 95 58.955 58.021 0.934 1
1 1105 . 9 1 1 A 95 95 SER CB C 95 64.884 64.400 0.484 1
1 1106 . 9 1 1 A 95 95 SER N N 95 122.184 114.998 7.186 1
1 1107 . 9 1 1 A 96 96 ILE H H 96 8.915 8.452 0.463 1
1 1108 . 9 1 1 A 96 96 ILE HA H 96 4.609 4.501 0.108 1
1 1118 . 9 1 1 A 96 96 ILE C C 96 174.546 176.340 -1.794 1
1 1119 . 9 1 1 A 96 96 ILE CA C 96 59.782 61.209 -1.427 1
1 1120 . 9 1 1 A 96 96 ILE CB C 96 40.995 39.883 1.112 1
1 1124 . 9 1 1 A 96 96 ILE N N 96 115.463 119.885 -4.422 1
1 1125 . 9 1 1 A 97 97 GLN H H 97 8.292 7.845 0.447 1
1 1126 . 9 1 1 A 97 97 GLN HA H 97 5.849 3.930 1.919 1
1 1133 . 9 1 1 A 97 97 GLN C C 97 176.173 174.574 1.599 1
1 1134 . 9 1 1 A 97 97 GLN CA C 97 54.361 56.831 -2.470 1
1 1135 . 9 1 1 A 97 97 GLN CB C 97 31.102 26.543 4.559 1
1 1137 . 9 1 1 A 97 97 GLN N N 97 117.686 117.960 -0.274 1
1 1139 . 9 1 1 A 98 98 SER H H 98 8.751 7.872 0.879 1
1 1140 . 9 1 1 A 98 98 SER HA H 98 4.618 4.502 0.116 1
1 1143 . 9 1 1 A 98 98 SER C C 98 172.310 173.513 -1.203 1
1 1144 . 9 1 1 A 98 98 SER CA C 98 57.019 58.369 -1.350 1
1 1145 . 9 1 1 A 98 98 SER CB C 98 64.588 64.041 0.547 1
1 1146 . 9 1 1 A 98 98 SER N N 98 115.969 113.093 2.876 1
1 1147 . 9 1 1 A 99 99 ARG H H 99 8.519 8.717 -0.198 1
1 1148 . 9 1 1 A 99 99 ARG HA H 99 5.627 5.074 0.553 1
1 1156 . 9 1 1 A 99 99 ARG C C 99 176.394 175.813 0.581 1
1 1157 . 9 1 1 A 99 99 ARG CA C 99 53.705 55.292 -1.587 1
1 1158 . 9 1 1 A 99 99 ARG CB C 99 32.853 31.613 1.240 1
1 1161 . 9 1 1 A 99 99 ARG N N 99 132.343 128.815 3.528 1
1 1163 . 9 1 1 A 100 100 THR H H 100 8.808 8.383 0.425 1
1 1164 . 9 1 1 A 100 100 THR HA H 100 4.182 4.344 -0.162 1
1 1169 . 9 1 1 A 100 100 THR C C 100 175.465 174.502 0.963 1
1 1170 . 9 1 1 A 100 100 THR CA C 100 61.701 62.266 -0.565 1
1 1171 . 9 1 1 A 100 100 THR CB C 100 69.515 70.159 -0.644 1
1 1173 . 9 1 1 A 100 100 THR N N 100 116.147 118.740 -2.593 1
1 1174 . 9 1 1 A 101 101 MET H H 101 7.254 8.453 -1.199 1
1 1175 . 9 1 1 A 101 101 MET HA H 101 4.504 4.694 -0.190 1
1 1183 . 9 1 1 A 101 101 MET C C 101 174.574 175.293 -0.719 1
1 1184 . 9 1 1 A 101 101 MET CA C 101 54.324 53.967 0.357 1
1 1185 . 9 1 1 A 101 101 MET CB C 101 32.235 32.449 -0.214 1
1 1188 . 9 1 1 A 101 101 MET N N 101 117.475 119.886 -2.411 1
1 1189 . 9 1 1 A 102 102 PRO HA H 102 4.647 4.718 -0.071 1
1 1196 . 9 1 1 A 102 102 PRO CA C 102 62.553 62.431 0.122 1
1 1197 . 9 1 1 A 102 102 PRO CB C 102 32.011 30.711 1.300 1
1 1 . 10 1 1 A 6 6 SER HA H 6 4.535 4.863 -0.328 1
1 4 . 10 1 1 A 6 6 SER CA C 6 58.104 56.879 1.225 1
1 5 . 10 1 1 A 6 6 SER CB C 6 64.201 66.109 -1.908 1
1 6 . 10 1 1 A 7 7 GLY H H 7 7.998 8.464 -0.466 1
1 7 . 10 1 1 A 7 7 GLY HA2 H 7 3.978 4.007 -0.029 1
1 8 . 10 1 1 A 7 7 GLY HA3 H 7 3.515 4.029 -0.514 1
1 9 . 10 1 1 A 7 7 GLY CA C 7 44.050 44.882 -0.832 1
1 10 . 10 1 1 A 7 7 GLY N N 7 108.741 109.445 -0.704 1
1 11 . 10 1 1 A 8 8 PRO HA H 8 4.324 4.555 -0.231 1
1 18 . 10 1 1 A 8 8 PRO CA C 8 63.624 62.711 0.913 1
1 19 . 10 1 1 A 8 8 PRO CB C 8 32.235 32.205 0.030 1
1 22 . 10 1 1 A 9 9 SER H H 9 8.323 8.717 -0.394 1
1 23 . 10 1 1 A 9 9 SER HA H 9 4.512 4.712 -0.200 1
1 26 . 10 1 1 A 9 9 SER C C 9 174.410 173.294 1.116 1
1 27 . 10 1 1 A 9 9 SER CA C 9 57.701 57.904 -0.203 1
1 28 . 10 1 1 A 9 9 SER CB C 9 63.909 62.959 0.950 1
1 29 . 10 1 1 A 9 9 SER N N 9 115.299 116.371 -1.072 1
1 30 . 10 1 1 A 10 10 GLY H H 10 7.439 7.550 -0.111 1
1 31 . 10 1 1 A 10 10 GLY HA2 H 10 4.383 3.927 0.456 1
1 32 . 10 1 1 A 10 10 GLY HA3 H 10 3.951 3.927 0.024 1
1 33 . 10 1 1 A 10 10 GLY C C 10 172.743 172.068 0.675 1
1 34 . 10 1 1 A 10 10 GLY CA C 10 43.924 45.571 -1.647 1
1 35 . 10 1 1 A 10 10 GLY N N 10 107.797 108.431 -0.634 1
1 36 . 10 1 1 A 11 11 PHE H H 11 7.534 8.302 -0.768 1
1 37 . 10 1 1 A 11 11 PHE HA H 11 5.519 5.302 0.217 1
1 44 . 10 1 1 A 11 11 PHE C C 11 173.822 173.570 0.252 1
1 45 . 10 1 1 A 11 11 PHE CA C 11 52.513 54.700 -2.187 1
1 46 . 10 1 1 A 11 11 PHE CB C 11 38.744 41.730 -2.986 1
1 51 . 10 1 1 A 11 11 PHE N N 11 115.246 116.264 -1.018 1
1 52 . 10 1 1 A 12 12 PRO HA H 12 4.285 4.739 -0.454 1
1 59 . 10 1 1 A 12 12 PRO C C 12 175.173 175.409 -0.236 1
1 60 . 10 1 1 A 12 12 PRO CA C 12 63.707 62.637 1.070 1
1 61 . 10 1 1 A 12 12 PRO CB C 12 32.344 33.462 -1.118 1
1 64 . 10 1 1 A 13 13 GLN H H 13 7.469 8.669 -1.200 1
1 65 . 10 1 1 A 13 13 GLN HA H 13 4.511 4.811 -0.300 1
1 72 . 10 1 1 A 13 13 GLN C C 13 175.349 175.222 0.127 1
1 73 . 10 1 1 A 13 13 GLN CA C 13 54.572 54.435 0.137 1
1 74 . 10 1 1 A 13 13 GLN CB C 13 32.848 31.456 1.392 1
1 76 . 10 1 1 A 13 13 GLN N N 13 120.555 119.136 1.419 1
1 78 . 10 1 1 A 14 14 ASN H H 14 8.978 8.883 0.095 1
1 79 . 10 1 1 A 14 14 ASN HA H 14 4.424 4.403 0.021 1
1 84 . 10 1 1 A 14 14 ASN C C 14 174.770 173.880 0.890 1
1 85 . 10 1 1 A 14 14 ASN CA C 14 54.079 54.218 -0.139 1
1 86 . 10 1 1 A 14 14 ASN CB C 14 37.343 36.953 0.390 1
1 87 . 10 1 1 A 14 14 ASN N N 14 114.024 116.076 -2.052 1
1 89 . 10 1 1 A 15 15 LEU H H 15 8.437 7.980 0.457 1
1 90 . 10 1 1 A 15 15 LEU HA H 15 5.062 4.705 0.357 1
1 100 . 10 1 1 A 15 15 LEU C C 15 177.001 175.301 1.700 1
1 101 . 10 1 1 A 15 15 LEU CA C 15 56.667 54.847 1.820 1
1 102 . 10 1 1 A 15 15 LEU CB C 15 41.720 42.408 -0.688 1
1 106 . 10 1 1 A 15 15 LEU N N 15 121.843 121.897 -0.054 1
1 107 . 10 1 1 A 16 16 HIS H H 16 9.492 7.903 1.589 1
1 108 . 10 1 1 A 16 16 HIS HA H 16 4.987 5.183 -0.196 1
1 113 . 10 1 1 A 16 16 HIS C C 16 171.333 171.760 -0.427 1
1 114 . 10 1 1 A 16 16 HIS CA C 16 55.153 54.527 0.626 1
1 115 . 10 1 1 A 16 16 HIS CB C 16 30.515 31.987 -1.472 1
1 118 . 10 1 1 A 16 16 HIS N N 16 121.636 121.536 0.100 1
1 119 . 10 1 1 A 17 17 VAL H H 17 8.606 8.629 -0.023 1
1 120 . 10 1 1 A 17 17 VAL HA H 17 4.663 4.691 -0.028 1
1 128 . 10 1 1 A 17 17 VAL C C 17 177.740 176.005 1.735 1
1 129 . 10 1 1 A 17 17 VAL CA C 17 61.771 59.676 2.095 1
1 130 . 10 1 1 A 17 17 VAL CB C 17 33.476 34.438 -0.962 1
1 133 . 10 1 1 A 17 17 VAL N N 17 120.868 120.191 0.677 1
1 134 . 10 1 1 A 18 18 THR H H 18 9.022 8.891 0.131 1
1 135 . 10 1 1 A 18 18 THR HA H 18 4.516 4.467 0.049 1
1 140 . 10 1 1 A 18 18 THR C C 18 174.913 174.473 0.440 1
1 141 . 10 1 1 A 18 18 THR CA C 18 61.472 63.092 -1.620 1
1 142 . 10 1 1 A 18 18 THR CB C 18 68.725 70.297 -1.572 1
1 144 . 10 1 1 A 18 18 THR N N 18 117.096 121.934 -4.838 1
1 145 . 10 1 1 A 19 19 GLY H H 19 7.443 7.355 0.088 1
1 146 . 10 1 1 A 19 19 GLY HA2 H 19 4.177 4.104 0.073 1
1 147 . 10 1 1 A 19 19 GLY HA3 H 19 3.909 4.112 -0.203 1
1 148 . 10 1 1 A 19 19 GLY C C 19 170.720 172.604 -1.884 1
1 149 . 10 1 1 A 19 19 GLY CA C 19 45.877 45.718 0.159 1
1 150 . 10 1 1 A 19 19 GLY N N 19 111.594 108.468 3.126 1
1 151 . 10 1 1 A 20 20 LEU H H 20 8.400 8.453 -0.053 1
1 152 . 10 1 1 A 20 20 LEU HA H 20 4.803 4.427 0.376 1
1 162 . 10 1 1 A 20 20 LEU C C 20 175.350 175.900 -0.550 1
1 163 . 10 1 1 A 20 20 LEU CA C 20 55.557 54.360 1.197 1
1 164 . 10 1 1 A 20 20 LEU CB C 20 46.554 43.526 3.028 1
1 168 . 10 1 1 A 20 20 LEU N N 20 121.661 121.545 0.116 1
1 169 . 10 1 1 A 21 21 THR H H 21 7.720 8.386 -0.666 1
1 170 . 10 1 1 A 21 21 THR HA H 21 4.900 4.652 0.248 1
1 175 . 10 1 1 A 21 21 THR C C 21 174.986 175.175 -0.189 1
1 176 . 10 1 1 A 21 21 THR CA C 21 61.049 60.990 0.059 1
1 177 . 10 1 1 A 21 21 THR CB C 21 71.081 72.824 -1.743 1
1 179 . 10 1 1 A 21 21 THR N N 21 112.043 112.488 -0.445 1
1 180 . 10 1 1 A 22 22 THR H H 22 7.782 8.748 -0.966 1
1 181 . 10 1 1 A 22 22 THR HA H 22 4.657 4.214 0.443 1
1 186 . 10 1 1 A 22 22 THR C C 22 174.110 175.361 -1.251 1
1 187 . 10 1 1 A 22 22 THR CA C 22 63.654 65.693 -2.039 1
1 188 . 10 1 1 A 22 22 THR CB C 22 69.834 68.395 1.439 1
1 190 . 10 1 1 A 22 22 THR N N 22 110.558 119.091 -8.533 1
1 191 . 10 1 1 A 23 23 SER H H 23 7.289 7.699 -0.410 1
1 192 . 10 1 1 A 23 23 SER HA H 23 4.717 4.904 -0.187 1
1 195 . 10 1 1 A 23 23 SER C C 23 173.680 174.408 -0.728 1
1 196 . 10 1 1 A 23 23 SER CA C 23 57.212 59.025 -1.813 1
1 197 . 10 1 1 A 23 23 SER CB C 23 66.012 64.482 1.530 1
1 198 . 10 1 1 A 23 23 SER N N 23 107.116 113.223 -6.107 1
1 199 . 10 1 1 A 24 24 THR H H 24 7.174 7.637 -0.463 1
1 200 . 10 1 1 A 24 24 THR HA H 24 5.377 4.775 0.602 1
1 205 . 10 1 1 A 24 24 THR C C 24 176.427 173.201 3.226 1
1 206 . 10 1 1 A 24 24 THR CA C 24 58.656 60.093 -1.437 1
1 207 . 10 1 1 A 24 24 THR CB C 24 73.018 71.415 1.603 1
1 209 . 10 1 1 A 24 24 THR N N 24 111.053 111.853 -0.800 1
1 210 . 10 1 1 A 25 25 THR H H 25 8.180 8.377 -0.197 1
1 211 . 10 1 1 A 25 25 THR HA H 25 4.608 4.847 -0.239 1
1 216 . 10 1 1 A 25 25 THR C C 25 170.451 173.121 -2.670 1
1 217 . 10 1 1 A 25 25 THR CA C 25 63.619 61.396 2.223 1
1 218 . 10 1 1 A 25 25 THR CB C 25 75.464 71.730 3.734 1
1 220 . 10 1 1 A 25 25 THR N N 25 117.664 116.205 1.459 1
1 221 . 10 1 1 A 26 26 GLU H H 26 9.197 8.645 0.552 1
1 222 . 10 1 1 A 26 26 GLU HA H 26 4.706 4.841 -0.135 1
1 227 . 10 1 1 A 26 26 GLU C C 26 174.626 175.630 -1.004 1
1 228 . 10 1 1 A 26 26 GLU CA C 26 55.751 56.160 -0.409 1
1 229 . 10 1 1 A 26 26 GLU CB C 26 30.917 31.765 -0.848 1
1 231 . 10 1 1 A 26 26 GLU N N 26 130.706 126.234 4.472 1
1 232 . 10 1 1 A 27 27 LEU H H 27 9.001 8.567 0.434 1
1 233 . 10 1 1 A 27 27 LEU HA H 27 5.273 5.181 0.092 1
1 243 . 10 1 1 A 27 27 LEU C C 27 176.770 175.674 1.096 1
1 244 . 10 1 1 A 27 27 LEU CA C 27 53.165 53.703 -0.538 1
1 245 . 10 1 1 A 27 27 LEU CB C 27 47.693 47.199 0.494 1
1 249 . 10 1 1 A 27 27 LEU N N 27 124.564 121.109 3.455 1
1 250 . 10 1 1 A 28 28 ALA H H 28 8.640 8.466 0.174 1
1 251 . 10 1 1 A 28 28 ALA HA H 28 4.577 4.738 -0.161 1
1 255 . 10 1 1 A 28 28 ALA C C 28 174.523 175.258 -0.735 1
1 256 . 10 1 1 A 28 28 ALA CA C 28 51.404 51.892 -0.488 1
1 257 . 10 1 1 A 28 28 ALA CB C 28 23.304 20.789 2.515 1
1 258 . 10 1 1 A 28 28 ALA N N 28 122.531 121.424 1.107 1
1 259 . 10 1 1 A 29 29 TRP H H 29 7.581 8.150 -0.569 1
1 260 . 10 1 1 A 29 29 TRP HA H 29 4.868 5.613 -0.745 1
1 269 . 10 1 1 A 29 29 TRP C C 29 172.280 173.041 -0.761 1
1 270 . 10 1 1 A 29 29 TRP CA C 29 56.948 54.730 2.218 1
1 271 . 10 1 1 A 29 29 TRP CB C 29 29.667 32.236 -2.569 1
1 277 . 10 1 1 A 29 29 TRP N N 29 115.551 120.333 -4.782 1
1 279 . 10 1 1 A 30 30 ASP H H 30 9.276 9.291 -0.015 1
1 280 . 10 1 1 A 30 30 ASP HA H 30 5.443 5.082 0.361 1
1 283 . 10 1 1 A 30 30 ASP C C 30 173.846 173.565 0.281 1
1 284 . 10 1 1 A 30 30 ASP CA C 30 51.562 50.917 0.645 1
1 285 . 10 1 1 A 30 30 ASP CB C 30 42.533 42.384 0.149 1
1 286 . 10 1 1 A 30 30 ASP N N 30 117.265 119.978 -2.713 1
1 287 . 10 1 1 A 31 31 PRO HA H 31 5.105 4.918 0.187 1
1 294 . 10 1 1 A 31 31 PRO CA C 31 61.905 61.487 0.418 1
1 295 . 10 1 1 A 31 31 PRO CB C 31 29.864 31.556 -1.692 1
1 298 . 10 1 1 A 32 32 PRO HA H 32 4.580 4.571 0.009 1
1 305 . 10 1 1 A 32 32 PRO CA C 32 62.036 62.690 -0.654 1
1 306 . 10 1 1 A 32 32 PRO CB C 32 30.840 31.916 -1.076 1
1 309 . 10 1 1 A 33 33 VAL H H 33 8.755 8.287 0.468 1
1 310 . 10 1 1 A 33 33 VAL HA H 33 3.994 4.093 -0.099 1
1 318 . 10 1 1 A 33 33 VAL CA C 33 62.553 62.545 0.008 1
1 319 . 10 1 1 A 33 33 VAL CB C 33 31.763 32.175 -0.412 1
1 322 . 10 1 1 A 33 33 VAL N N 33 120.113 120.401 -0.288 1
1 323 . 10 1 1 A 34 34 LEU H H 34 8.469 8.737 -0.268 1
1 324 . 10 1 1 A 34 34 LEU HA H 34 3.768 3.918 -0.150 1
1 334 . 10 1 1 A 34 34 LEU CA C 34 58.809 57.815 0.994 1
1 335 . 10 1 1 A 34 34 LEU CB C 34 42.426 41.629 0.797 1
1 339 . 10 1 1 A 34 34 LEU N N 34 125.095 124.291 0.804 1
1 340 . 10 1 1 A 35 35 ALA H H 35 8.586 8.038 0.548 1
1 341 . 10 1 1 A 35 35 ALA HA H 35 4.171 4.020 0.151 1
1 345 . 10 1 1 A 35 35 ALA CA C 35 53.957 55.381 -1.424 1
1 346 . 10 1 1 A 35 35 ALA CB C 35 19.056 18.859 0.197 1
1 347 . 10 1 1 A 35 35 ALA N N 35 119.010 122.204 -3.194 1
1 348 . 10 1 1 A 36 36 GLU H H 36 8.070 8.156 -0.086 1
1 349 . 10 1 1 A 36 36 GLU HA H 36 4.305 4.000 0.305 1
1 354 . 10 1 1 A 36 36 GLU CA C 36 55.527 59.590 -4.063 1
1 355 . 10 1 1 A 36 36 GLU CB C 36 29.845 29.227 0.618 1
1 357 . 10 1 1 A 36 36 GLU N N 36 115.604 118.298 -2.694 1
1 358 . 10 1 1 A 37 37 ARG HA H 37 3.758 4.236 -0.478 1
1 365 . 10 1 1 A 37 37 ARG CA C 37 60.050 56.410 3.640 1
1 366 . 10 1 1 A 37 37 ARG CB C 37 30.804 30.585 0.219 1
1 369 . 10 1 1 A 37 37 ARG N N 37 122.198 118.027 4.171 1
1 370 . 10 1 1 A 38 38 ASN H H 38 8.093 8.955 -0.862 1
1 371 . 10 1 1 A 38 38 ASN HA H 38 4.291 5.014 -0.723 1
1 376 . 10 1 1 A 38 38 ASN C C 38 174.619 174.144 0.475 1
1 377 . 10 1 1 A 38 38 ASN CA C 38 53.287 52.809 0.478 1
1 378 . 10 1 1 A 38 38 ASN CB C 38 37.482 39.619 -2.137 1
1 379 . 10 1 1 A 38 38 ASN N N 38 109.319 120.378 -11.059 1
1 381 . 10 1 1 A 39 39 GLY H H 39 7.575 7.350 0.225 1
1 382 . 10 1 1 A 39 39 GLY HA2 H 39 4.320 4.078 0.242 1
1 383 . 10 1 1 A 39 39 GLY HA3 H 39 3.697 4.083 -0.386 1
1 384 . 10 1 1 A 39 39 GLY C C 39 172.138 171.902 0.236 1
1 385 . 10 1 1 A 39 39 GLY CA C 39 43.766 45.528 -1.762 1
1 386 . 10 1 1 A 39 39 GLY N N 39 105.607 107.166 -1.559 1
1 387 . 10 1 1 A 40 40 ARG H H 40 8.180 8.485 -0.305 1
1 388 . 10 1 1 A 40 40 ARG HA H 40 4.333 4.320 0.013 1
1 395 . 10 1 1 A 40 40 ARG C C 40 176.395 175.973 0.422 1
1 396 . 10 1 1 A 40 40 ARG CA C 40 55.453 56.429 -0.976 1
1 397 . 10 1 1 A 40 40 ARG CB C 40 30.999 31.106 -0.107 1
1 400 . 10 1 1 A 40 40 ARG N N 40 119.566 119.923 -0.357 1
1 401 . 10 1 1 A 41 41 ILE H H 41 8.991 8.910 0.081 1
1 402 . 10 1 1 A 41 41 ILE HA H 41 4.256 4.658 -0.402 1
1 412 . 10 1 1 A 41 41 ILE CA C 41 59.279 60.260 -0.981 1
1 413 . 10 1 1 A 41 41 ILE CB C 41 35.329 39.878 -4.549 1
1 417 . 10 1 1 A 41 41 ILE N N 41 127.226 122.773 4.453 1
1 418 . 10 1 1 A 42 42 ILE H H 42 8.721 8.939 -0.218 1
1 419 . 10 1 1 A 42 42 ILE HA H 42 4.475 4.439 0.036 1
1 429 . 10 1 1 A 42 42 ILE C C 42 175.959 176.219 -0.260 1
1 430 . 10 1 1 A 42 42 ILE CA C 42 61.208 61.426 -0.218 1
1 431 . 10 1 1 A 42 42 ILE CB C 42 39.771 39.136 0.635 1
1 435 . 10 1 1 A 42 42 ILE N N 42 122.018 121.298 0.720 1
1 436 . 10 1 1 A 43 43 SER H H 43 7.425 7.684 -0.259 1
1 437 . 10 1 1 A 43 43 SER HA H 43 4.555 4.977 -0.422 1
1 440 . 10 1 1 A 43 43 SER C C 43 170.232 171.588 -1.356 1
1 441 . 10 1 1 A 43 43 SER CA C 43 58.234 57.967 0.267 1
1 442 . 10 1 1 A 43 43 SER CB C 43 64.287 66.666 -2.379 1
1 443 . 10 1 1 A 43 43 SER N N 43 113.043 116.127 -3.084 1
1 444 . 10 1 1 A 44 44 TYR H H 44 9.297 8.329 0.968 1
1 445 . 10 1 1 A 44 44 TYR HA H 44 5.741 5.770 -0.029 1
1 452 . 10 1 1 A 44 44 TYR C C 44 175.735 175.135 0.600 1
1 453 . 10 1 1 A 44 44 TYR CA C 44 57.137 56.252 0.885 1
1 454 . 10 1 1 A 44 44 TYR CB C 44 42.410 43.335 -0.925 1
1 459 . 10 1 1 A 44 44 TYR N N 44 116.157 119.454 -3.297 1
1 460 . 10 1 1 A 45 45 THR H H 45 8.778 8.772 0.006 1
1 461 . 10 1 1 A 45 45 THR HA H 45 5.094 5.133 -0.039 1
1 466 . 10 1 1 A 45 45 THR C C 45 173.026 173.365 -0.339 1
1 467 . 10 1 1 A 45 45 THR CA C 45 61.853 61.551 0.302 1
1 468 . 10 1 1 A 45 45 THR CB C 45 71.072 70.669 0.403 1
1 470 . 10 1 1 A 45 45 THR N N 45 114.801 115.771 -0.970 1
1 471 . 10 1 1 A 46 46 VAL H H 46 9.145 8.750 0.395 1
1 472 . 10 1 1 A 46 46 VAL HA H 46 4.244 4.640 -0.396 1
1 480 . 10 1 1 A 46 46 VAL C C 46 174.278 175.305 -1.027 1
1 481 . 10 1 1 A 46 46 VAL CA C 46 61.137 62.167 -1.030 1
1 482 . 10 1 1 A 46 46 VAL CB C 46 32.999 31.020 1.979 1
1 485 . 10 1 1 A 46 46 VAL N N 46 127.180 127.783 -0.603 1
1 486 . 10 1 1 A 47 47 VAL H H 47 9.041 8.630 0.411 1
1 487 . 10 1 1 A 47 47 VAL HA H 47 5.004 4.723 0.281 1
1 495 . 10 1 1 A 47 47 VAL C C 47 175.023 175.501 -0.478 1
1 496 . 10 1 1 A 47 47 VAL CA C 47 60.996 61.268 -0.272 1
1 497 . 10 1 1 A 47 47 VAL CB C 47 33.488 32.272 1.216 1
1 500 . 10 1 1 A 47 47 VAL N N 47 128.169 128.743 -0.574 1
1 501 . 10 1 1 A 48 48 PHE H H 48 9.169 9.095 0.074 1
1 502 . 10 1 1 A 48 48 PHE HA H 48 6.209 6.084 0.125 1
1 510 . 10 1 1 A 48 48 PHE C C 48 173.210 173.432 -0.222 1
1 511 . 10 1 1 A 48 48 PHE CA C 48 54.702 55.268 -0.566 1
1 512 . 10 1 1 A 48 48 PHE CB C 48 43.316 42.532 0.784 1
1 518 . 10 1 1 A 48 48 PHE N N 48 123.753 124.490 -0.737 1
1 519 . 10 1 1 A 49 49 ARG H H 49 8.693 8.822 -0.129 1
1 520 . 10 1 1 A 49 49 ARG HA H 49 4.817 4.754 0.063 1
1 528 . 10 1 1 A 49 49 ARG C C 49 175.280 174.133 1.147 1
1 529 . 10 1 1 A 49 49 ARG CA C 49 54.801 54.791 0.010 1
1 530 . 10 1 1 A 49 49 ARG CB C 49 35.242 34.072 1.170 1
1 533 . 10 1 1 A 49 49 ARG N N 49 118.793 121.251 -2.458 1
1 535 . 10 1 1 A 50 50 ASP H H 50 8.820 8.728 0.092 1
1 536 . 10 1 1 A 50 50 ASP HA H 50 4.029 4.430 -0.401 1
1 539 . 10 1 1 A 50 50 ASP C C 50 178.592 176.936 1.656 1
1 540 . 10 1 1 A 50 50 ASP CA C 50 53.498 53.648 -0.150 1
1 541 . 10 1 1 A 50 50 ASP CB C 50 40.543 40.844 -0.301 1
1 542 . 10 1 1 A 50 50 ASP N N 50 128.720 125.528 3.192 1
1 543 . 10 1 1 A 51 51 ILE H H 51 8.315 8.387 -0.072 1
1 544 . 10 1 1 A 51 51 ILE HA H 51 3.892 3.774 0.118 1
1 554 . 10 1 1 A 51 51 ILE C C 51 176.905 176.608 0.297 1
1 555 . 10 1 1 A 51 51 ILE CA C 51 64.569 63.219 1.350 1
1 556 . 10 1 1 A 51 51 ILE CB C 51 38.126 37.745 0.381 1
1 560 . 10 1 1 A 51 51 ILE N N 51 124.642 122.606 2.036 1
1 561 . 10 1 1 A 52 52 ASN H H 52 8.677 8.067 0.610 1
1 562 . 10 1 1 A 52 52 ASN HA H 52 4.760 4.720 0.040 1
1 567 . 10 1 1 A 52 52 ASN C C 52 174.645 175.392 -0.747 1
1 568 . 10 1 1 A 52 52 ASN CA C 52 53.851 54.117 -0.266 1
1 569 . 10 1 1 A 52 52 ASN CB C 52 39.032 39.660 -0.628 1
1 570 . 10 1 1 A 52 52 ASN N N 52 119.201 118.649 0.552 1
1 572 . 10 1 1 A 53 53 SER H H 53 8.409 8.352 0.057 1
1 573 . 10 1 1 A 53 53 SER HA H 53 4.663 4.866 -0.203 1
1 576 . 10 1 1 A 53 53 SER C C 53 173.861 174.187 -0.326 1
1 577 . 10 1 1 A 53 53 SER CA C 53 56.702 57.386 -0.684 1
1 578 . 10 1 1 A 53 53 SER CB C 53 65.730 66.335 -0.605 1
1 579 . 10 1 1 A 53 53 SER N N 53 116.494 114.589 1.905 1
1 580 . 10 1 1 A 54 54 GLN H H 54 8.489 8.439 0.050 1
1 581 . 10 1 1 A 54 54 GLN HA H 54 4.329 4.528 -0.199 1
1 588 . 10 1 1 A 54 54 GLN C C 54 175.789 175.470 0.319 1
1 589 . 10 1 1 A 54 54 GLN CA C 54 55.857 55.012 0.845 1
1 590 . 10 1 1 A 54 54 GLN CB C 54 28.847 28.736 0.111 1
1 592 . 10 1 1 A 54 54 GLN N N 54 119.700 118.982 0.718 1
1 594 . 10 1 1 A 55 55 GLN H H 55 8.108 7.661 0.447 1
1 595 . 10 1 1 A 55 55 GLN HA H 55 4.269 4.553 -0.284 1
1 602 . 10 1 1 A 55 55 GLN C C 55 174.076 174.688 -0.612 1
1 603 . 10 1 1 A 55 55 GLN CA C 55 55.689 55.264 0.425 1
1 604 . 10 1 1 A 55 55 GLN CB C 55 29.352 29.646 -0.294 1
1 606 . 10 1 1 A 55 55 GLN N N 55 120.355 121.717 -1.362 1
1 608 . 10 1 1 A 56 56 GLU H H 56 8.603 8.832 -0.229 1
1 609 . 10 1 1 A 56 56 GLU HA H 56 4.372 4.785 -0.413 1
1 614 . 10 1 1 A 56 56 GLU C C 56 175.058 175.214 -0.156 1
1 615 . 10 1 1 A 56 56 GLU CA C 56 55.594 55.853 -0.259 1
1 616 . 10 1 1 A 56 56 GLU CB C 56 31.640 31.419 0.221 1
1 618 . 10 1 1 A 56 56 GLU N N 56 126.250 128.564 -2.314 1
1 619 . 10 1 1 A 57 57 LEU H H 57 8.520 8.085 0.435 1
1 620 . 10 1 1 A 57 57 LEU HA H 57 4.458 4.705 -0.247 1
1 630 . 10 1 1 A 57 57 LEU C C 57 174.850 174.907 -0.057 1
1 631 . 10 1 1 A 57 57 LEU CA C 57 53.780 53.170 0.610 1
1 632 . 10 1 1 A 57 57 LEU CB C 57 43.903 45.930 -2.027 1
1 636 . 10 1 1 A 57 57 LEU N N 57 127.205 125.847 1.358 1
1 637 . 10 1 1 A 58 58 GLN H H 58 7.992 8.542 -0.550 1
1 638 . 10 1 1 A 58 58 GLN HA H 58 5.865 5.366 0.499 1
1 645 . 10 1 1 A 58 58 GLN C C 58 175.948 174.611 1.337 1
1 646 . 10 1 1 A 58 58 GLN CA C 58 53.944 54.296 -0.352 1
1 647 . 10 1 1 A 58 58 GLN CB C 58 32.786 33.457 -0.671 1
1 649 . 10 1 1 A 58 58 GLN N N 58 113.562 120.176 -6.614 1
1 651 . 10 1 1 A 59 59 ASN H H 59 9.073 8.849 0.224 1
1 652 . 10 1 1 A 59 59 ASN HA H 59 5.068 5.473 -0.405 1
1 657 . 10 1 1 A 59 59 ASN C C 59 172.790 174.133 -1.343 1
1 658 . 10 1 1 A 59 59 ASN CA C 59 53.023 51.609 1.414 1
1 659 . 10 1 1 A 59 59 ASN CB C 59 45.541 42.847 2.694 1
1 660 . 10 1 1 A 59 59 ASN N N 59 119.984 117.575 2.409 1
1 662 . 10 1 1 A 60 60 ILE H H 60 8.491 8.467 0.024 1
1 663 . 10 1 1 A 60 60 ILE HA H 60 5.147 4.965 0.182 1
1 673 . 10 1 1 A 60 60 ILE C C 60 175.088 174.467 0.621 1
1 674 . 10 1 1 A 60 60 ILE CA C 60 59.853 59.909 -0.056 1
1 675 . 10 1 1 A 60 60 ILE CB C 60 40.891 42.001 -1.110 1
1 679 . 10 1 1 A 60 60 ILE N N 60 119.480 120.391 -0.911 1
1 680 . 10 1 1 A 61 61 THR H H 61 8.755 8.208 0.547 1
1 681 . 10 1 1 A 61 61 THR HA H 61 4.976 5.116 -0.140 1
1 686 . 10 1 1 A 61 61 THR C C 61 172.097 173.893 -1.796 1
1 687 . 10 1 1 A 61 61 THR CA C 61 59.905 60.576 -0.671 1
1 688 . 10 1 1 A 61 61 THR CB C 61 69.505 70.948 -1.443 1
1 690 . 10 1 1 A 61 61 THR N N 61 118.083 118.392 -0.309 1
1 691 . 10 1 1 A 62 62 THR H H 62 8.325 8.569 -0.244 1
1 692 . 10 1 1 A 62 62 THR HA H 62 4.641 4.467 0.174 1
1 697 . 10 1 1 A 62 62 THR C C 62 174.386 174.073 0.313 1
1 698 . 10 1 1 A 62 62 THR CA C 62 62.440 62.535 -0.095 1
1 699 . 10 1 1 A 62 62 THR CB C 62 69.355 69.054 0.301 1
1 701 . 10 1 1 A 62 62 THR N N 62 115.077 117.416 -2.339 1
1 702 . 10 1 1 A 63 63 ASP H H 63 8.611 7.458 1.153 1
1 703 . 10 1 1 A 63 63 ASP HA H 63 4.962 5.006 -0.044 1
1 706 . 10 1 1 A 63 63 ASP C C 63 172.906 176.926 -4.020 1
1 707 . 10 1 1 A 63 63 ASP CA C 63 52.981 52.843 0.138 1
1 708 . 10 1 1 A 63 63 ASP CB C 63 43.465 42.941 0.524 1
1 709 . 10 1 1 A 63 63 ASP N N 63 125.713 121.998 3.715 1
1 710 . 10 1 1 A 64 64 THR H H 64 7.925 8.313 -0.388 1
1 711 . 10 1 1 A 64 64 THR HA H 64 3.088 3.814 -0.726 1
1 716 . 10 1 1 A 64 64 THR C C 64 172.176 171.931 0.245 1
1 717 . 10 1 1 A 64 64 THR CA C 64 59.078 61.410 -2.332 1
1 718 . 10 1 1 A 64 64 THR CB C 64 66.137 68.191 -2.054 1
1 720 . 10 1 1 A 64 64 THR N N 64 104.287 112.982 -8.695 1
1 721 . 10 1 1 A 65 65 ARG H H 65 6.387 7.298 -0.911 1
1 722 . 10 1 1 A 65 65 ARG HA H 65 4.221 3.676 0.545 1
1 729 . 10 1 1 A 65 65 ARG C C 65 174.862 173.947 0.915 1
1 730 . 10 1 1 A 65 65 ARG CA C 65 54.132 53.452 0.680 1
1 731 . 10 1 1 A 65 65 ARG CB C 65 32.928 33.877 -0.949 1
1 734 . 10 1 1 A 65 65 ARG N N 65 115.062 118.494 -3.432 1
1 735 . 10 1 1 A 66 66 PHE H H 66 8.177 8.904 -0.727 1
1 736 . 10 1 1 A 66 66 PHE HA H 66 4.373 4.866 -0.493 1
1 744 . 10 1 1 A 66 66 PHE C C 66 172.804 173.188 -0.384 1
1 745 . 10 1 1 A 66 66 PHE CA C 66 59.536 58.201 1.335 1
1 746 . 10 1 1 A 66 66 PHE CB C 66 44.469 41.380 3.089 1
1 752 . 10 1 1 A 66 66 PHE N N 66 119.991 119.700 0.291 1
1 753 . 10 1 1 A 67 67 THR H H 67 7.332 7.348 -0.016 1
1 754 . 10 1 1 A 67 67 THR HA H 67 4.628 5.215 -0.587 1
1 759 . 10 1 1 A 67 67 THR C C 67 172.910 173.983 -1.073 1
1 760 . 10 1 1 A 67 67 THR CA C 67 61.261 61.177 0.084 1
1 761 . 10 1 1 A 67 67 THR CB C 67 69.260 71.312 -2.052 1
1 763 . 10 1 1 A 67 67 THR N N 67 123.294 116.397 6.897 1
1 764 . 10 1 1 A 68 68 LEU H H 68 8.776 9.113 -0.337 1
1 765 . 10 1 1 A 68 68 LEU HA H 68 4.192 4.173 0.019 1
1 775 . 10 1 1 A 68 68 LEU C C 68 176.337 175.948 0.389 1
1 776 . 10 1 1 A 68 68 LEU CA C 68 54.394 54.708 -0.314 1
1 777 . 10 1 1 A 68 68 LEU CB C 68 42.394 42.311 0.083 1
1 781 . 10 1 1 A 68 68 LEU N N 68 126.969 127.884 -0.915 1
1 782 . 10 1 1 A 69 69 THR H H 69 7.921 8.272 -0.351 1
1 783 . 10 1 1 A 69 69 THR HA H 69 4.814 4.687 0.127 1
1 788 . 10 1 1 A 69 69 THR C C 69 173.856 173.638 0.218 1
1 789 . 10 1 1 A 69 69 THR CA C 69 59.694 60.570 -0.876 1
1 790 . 10 1 1 A 69 69 THR CB C 69 71.829 71.329 0.500 1
1 792 . 10 1 1 A 69 69 THR N N 69 111.246 111.310 -0.064 1
1 793 . 10 1 1 A 70 70 GLY H H 70 8.894 8.641 0.253 1
1 794 . 10 1 1 A 70 70 GLY HA2 H 70 3.930 3.840 0.090 1
1 795 . 10 1 1 A 70 70 GLY HA3 H 70 3.809 3.872 -0.063 1
1 796 . 10 1 1 A 70 70 GLY C C 70 175.589 174.536 1.053 1
1 797 . 10 1 1 A 70 70 GLY CA C 70 46.178 46.876 -0.698 1
1 798 . 10 1 1 A 70 70 GLY N N 70 107.415 112.855 -5.440 1
1 799 . 10 1 1 A 71 71 LEU H H 71 8.341 7.784 0.557 1
1 800 . 10 1 1 A 71 71 LEU HA H 71 4.195 4.798 -0.603 1
1 810 . 10 1 1 A 71 71 LEU C C 71 175.422 175.096 0.326 1
1 811 . 10 1 1 A 71 71 LEU CA C 71 53.429 53.056 0.373 1
1 812 . 10 1 1 A 71 71 LEU CB C 71 40.650 43.595 -2.945 1
1 816 . 10 1 1 A 71 71 LEU N N 71 118.621 120.185 -1.564 1
1 817 . 10 1 1 A 72 72 LYS H H 72 8.298 9.377 -1.079 1
1 818 . 10 1 1 A 72 72 LYS HA H 72 4.631 4.855 -0.224 1
1 827 . 10 1 1 A 72 72 LYS C C 72 174.599 175.192 -0.593 1
1 828 . 10 1 1 A 72 72 LYS CA C 72 53.851 53.904 -0.053 1
1 829 . 10 1 1 A 72 72 LYS CB C 72 33.619 34.592 -0.973 1
1 833 . 10 1 1 A 72 72 LYS N N 72 121.340 122.531 -1.191 1
1 834 . 10 1 1 A 73 73 PRO HA H 73 5.086 4.713 0.373 1
1 841 . 10 1 1 A 73 73 PRO C C 73 178.198 177.196 1.002 1
1 842 . 10 1 1 A 73 73 PRO CA C 73 62.897 63.484 -0.587 1
1 843 . 10 1 1 A 73 73 PRO CB C 73 33.198 32.155 1.043 1
1 846 . 10 1 1 A 74 74 ASP H H 74 7.537 8.649 -1.112 1
1 847 . 10 1 1 A 74 74 ASP HA H 74 4.290 4.278 0.012 1
1 850 . 10 1 1 A 74 74 ASP C C 74 174.390 174.723 -0.333 1
1 851 . 10 1 1 A 74 74 ASP CA C 74 54.343 55.165 -0.822 1
1 852 . 10 1 1 A 74 74 ASP CB C 74 41.393 39.771 1.622 1
1 853 . 10 1 1 A 74 74 ASP N N 74 126.834 121.675 5.159 1
1 854 . 10 1 1 A 75 75 THR H H 75 8.197 7.220 0.977 1
1 855 . 10 1 1 A 75 75 THR HA H 75 4.316 4.892 -0.576 1
1 860 . 10 1 1 A 75 75 THR C C 75 172.076 173.476 -1.400 1
1 861 . 10 1 1 A 75 75 THR CA C 75 63.087 61.288 1.799 1
1 862 . 10 1 1 A 75 75 THR CB C 75 71.822 72.600 -0.778 1
1 864 . 10 1 1 A 75 75 THR N N 75 113.905 112.306 1.599 1
1 865 . 10 1 1 A 76 76 THR H H 76 8.606 8.823 -0.217 1
1 866 . 10 1 1 A 76 76 THR HA H 76 4.641 4.471 0.170 1
1 871 . 10 1 1 A 76 76 THR C C 76 172.308 174.107 -1.799 1
1 872 . 10 1 1 A 76 76 THR CA C 76 63.197 63.318 -0.121 1
1 873 . 10 1 1 A 76 76 THR CB C 76 68.333 69.270 -0.937 1
1 875 . 10 1 1 A 76 76 THR N N 76 124.170 121.386 2.784 1
1 876 . 10 1 1 A 77 77 TYR H H 77 9.230 8.954 0.276 1
1 877 . 10 1 1 A 77 77 TYR HA H 77 5.084 5.025 0.059 1
1 884 . 10 1 1 A 77 77 TYR C C 77 174.065 174.392 -0.327 1
1 885 . 10 1 1 A 77 77 TYR CA C 77 57.443 56.359 1.084 1
1 886 . 10 1 1 A 77 77 TYR CB C 77 41.115 40.173 0.942 1
1 891 . 10 1 1 A 77 77 TYR N N 77 125.729 126.131 -0.402 1
1 892 . 10 1 1 A 78 78 ASP H H 78 9.222 9.365 -0.143 1
1 893 . 10 1 1 A 78 78 ASP HA H 78 5.288 4.786 0.502 1
1 896 . 10 1 1 A 78 78 ASP C C 78 176.268 174.806 1.462 1
1 897 . 10 1 1 A 78 78 ASP CA C 78 53.565 54.218 -0.653 1
1 898 . 10 1 1 A 78 78 ASP CB C 78 44.874 40.895 3.979 1
1 899 . 10 1 1 A 78 78 ASP N N 78 124.016 125.455 -1.439 1
1 900 . 10 1 1 A 79 79 ILE H H 79 9.210 8.580 0.630 1
1 901 . 10 1 1 A 79 79 ILE HA H 79 5.027 5.443 -0.416 1
1 911 . 10 1 1 A 79 79 ILE C C 79 172.968 174.743 -1.775 1
1 912 . 10 1 1 A 79 79 ILE CA C 79 61.102 59.978 1.124 1
1 913 . 10 1 1 A 79 79 ILE CB C 79 41.830 40.415 1.415 1
1 917 . 10 1 1 A 79 79 ILE N N 79 127.527 127.409 0.118 1
1 918 . 10 1 1 A 80 80 LYS H H 80 8.930 9.344 -0.414 1
1 919 . 10 1 1 A 80 80 LYS HA H 80 4.282 5.082 -0.800 1
1 928 . 10 1 1 A 80 80 LYS C C 80 173.716 174.320 -0.604 1
1 929 . 10 1 1 A 80 80 LYS CA C 80 54.749 54.037 0.712 1
1 930 . 10 1 1 A 80 80 LYS CB C 80 37.864 36.655 1.209 1
1 934 . 10 1 1 A 80 80 LYS N N 80 122.620 124.513 -1.893 1
1 935 . 10 1 1 A 81 81 VAL H H 81 8.070 8.825 -0.755 1
1 936 . 10 1 1 A 81 81 VAL HA H 81 5.365 4.943 0.422 1
1 944 . 10 1 1 A 81 81 VAL C C 81 174.099 173.467 0.632 1
1 945 . 10 1 1 A 81 81 VAL CA C 81 59.228 59.519 -0.291 1
1 946 . 10 1 1 A 81 81 VAL CB C 81 36.108 35.068 1.040 1
1 949 . 10 1 1 A 81 81 VAL N N 81 115.045 119.143 -4.098 1
1 950 . 10 1 1 A 82 82 ARG H H 82 8.733 8.888 -0.155 1
1 951 . 10 1 1 A 82 82 ARG HA H 82 4.984 5.099 -0.115 1
1 959 . 10 1 1 A 82 82 ARG C C 82 172.874 174.307 -1.433 1
1 960 . 10 1 1 A 82 82 ARG CA C 82 53.552 54.852 -1.300 1
1 961 . 10 1 1 A 82 82 ARG CB C 82 34.521 33.964 0.557 1
1 964 . 10 1 1 A 82 82 ARG N N 82 122.032 123.763 -1.731 1
1 966 . 10 1 1 A 83 83 ALA H H 83 9.221 8.537 0.684 1
1 967 . 10 1 1 A 83 83 ALA HA H 83 5.132 4.081 1.051 1
1 971 . 10 1 1 A 83 83 ALA C C 83 174.998 176.760 -1.762 1
1 972 . 10 1 1 A 83 83 ALA CA C 83 50.383 51.671 -1.288 1
1 973 . 10 1 1 A 83 83 ALA CB C 83 23.472 19.985 3.487 1
1 974 . 10 1 1 A 83 83 ALA N N 83 124.044 124.783 -0.739 1
1 975 . 10 1 1 A 84 84 TRP H H 84 8.387 8.857 -0.470 1
1 976 . 10 1 1 A 84 84 TRP HA H 84 5.020 5.361 -0.341 1
1 985 . 10 1 1 A 84 84 TRP C C 84 177.430 175.391 2.039 1
1 986 . 10 1 1 A 84 84 TRP CA C 84 56.807 56.075 0.732 1
1 987 . 10 1 1 A 84 84 TRP CB C 84 31.235 32.516 -1.281 1
1 993 . 10 1 1 A 84 84 TRP N N 84 117.779 120.328 -2.549 1
1 995 . 10 1 1 A 85 85 THR H H 85 8.698 9.081 -0.383 1
1 996 . 10 1 1 A 85 85 THR HA H 85 5.190 5.113 0.077 1
1 1001 . 10 1 1 A 85 85 THR C C 85 176.429 175.902 0.527 1
1 1002 . 10 1 1 A 85 85 THR CA C 85 59.958 59.995 -0.037 1
1 1003 . 10 1 1 A 85 85 THR CB C 85 72.646 71.769 0.877 1
1 1005 . 10 1 1 A 85 85 THR N N 85 111.404 113.029 -1.625 1
1 1006 . 10 1 1 A 86 86 SER H H 86 9.765 9.070 0.695 1
1 1007 . 10 1 1 A 86 86 SER HA H 86 4.242 4.162 0.080 1
1 1010 . 10 1 1 A 86 86 SER C C 86 174.834 176.359 -1.525 1
1 1011 . 10 1 1 A 86 86 SER CA C 86 61.014 61.304 -0.290 1
1 1012 . 10 1 1 A 86 86 SER CB C 86 62.807 62.803 0.004 1
1 1013 . 10 1 1 A 86 86 SER N N 86 115.745 116.462 -0.717 1
1 1014 . 10 1 1 A 87 87 LYS H H 87 7.947 7.658 0.289 1
1 1015 . 10 1 1 A 87 87 LYS HA H 87 4.426 4.274 0.152 1
1 1024 . 10 1 1 A 87 87 LYS C C 87 176.373 177.030 -0.657 1
1 1025 . 10 1 1 A 87 87 LYS CA C 87 55.857 58.126 -2.269 1
1 1026 . 10 1 1 A 87 87 LYS CB C 87 33.386 33.217 0.169 1
1 1030 . 10 1 1 A 87 87 LYS N N 87 118.254 119.619 -1.365 1
1 1031 . 10 1 1 A 88 88 GLY H H 88 7.400 7.016 0.384 1
1 1032 . 10 1 1 A 88 88 GLY HA2 H 88 4.446 4.066 0.380 1
1 1033 . 10 1 1 A 88 88 GLY HA3 H 88 3.990 4.180 -0.190 1
1 1034 . 10 1 1 A 88 88 GLY C C 88 171.366 172.005 -0.639 1
1 1035 . 10 1 1 A 88 88 GLY CA C 88 45.006 46.049 -1.043 1
1 1036 . 10 1 1 A 88 88 GLY N N 88 106.086 104.122 1.964 1
1 1037 . 10 1 1 A 89 89 SER H H 89 8.048 8.477 -0.429 1
1 1038 . 10 1 1 A 89 89 SER HA H 89 3.899 4.738 -0.839 1
1 1041 . 10 1 1 A 89 89 SER CA C 89 56.522 55.617 0.905 1
1 1042 . 10 1 1 A 89 89 SER CB C 89 63.965 65.313 -1.348 1
1 1043 . 10 1 1 A 89 89 SER N N 89 113.549 116.194 -2.645 1
1 1044 . 10 1 1 A 90 90 GLY H H 90 8.282 7.952 0.330 1
1 1045 . 10 1 1 A 90 90 GLY HA2 H 90 4.637 4.021 0.616 1
1 1046 . 10 1 1 A 90 90 GLY HA3 H 90 3.696 4.037 -0.341 1
1 1047 . 10 1 1 A 90 90 GLY CA C 90 44.399 44.014 0.385 1
1 1048 . 10 1 1 A 90 90 GLY N N 90 109.030 106.742 2.288 1
1 1049 . 10 1 1 A 91 91 PRO HA H 91 4.448 4.550 -0.102 1
1 1056 . 10 1 1 A 91 91 PRO C C 91 177.760 175.173 2.587 1
1 1057 . 10 1 1 A 91 91 PRO CA C 91 62.229 62.445 -0.216 1
1 1058 . 10 1 1 A 91 91 PRO CB C 91 32.367 33.402 -1.035 1
1 1061 . 10 1 1 A 92 92 LEU H H 92 8.373 8.323 0.050 1
1 1062 . 10 1 1 A 92 92 LEU HA H 92 4.110 4.762 -0.652 1
1 1072 . 10 1 1 A 92 92 LEU C C 92 176.841 176.444 0.397 1
1 1073 . 10 1 1 A 92 92 LEU CA C 92 55.163 53.489 1.674 1
1 1074 . 10 1 1 A 92 92 LEU CB C 92 43.188 44.082 -0.894 1
1 1078 . 10 1 1 A 92 92 LEU N N 92 121.096 121.959 -0.863 1
1 1079 . 10 1 1 A 93 93 SER H H 93 8.629 9.204 -0.575 1
1 1080 . 10 1 1 A 93 93 SER HA H 93 3.683 4.157 -0.474 1
1 1083 . 10 1 1 A 93 93 SER C C 93 171.637 173.654 -2.017 1
1 1084 . 10 1 1 A 93 93 SER CA C 93 56.900 56.870 0.030 1
1 1085 . 10 1 1 A 93 93 SER CB C 93 62.923 62.764 0.159 1
1 1086 . 10 1 1 A 93 93 SER N N 93 116.072 121.077 -5.005 1
1 1087 . 10 1 1 A 94 94 PRO HA H 94 4.330 4.479 -0.149 1
1 1094 . 10 1 1 A 94 94 PRO C C 94 178.093 177.168 0.925 1
1 1095 . 10 1 1 A 94 94 PRO CA C 94 63.309 62.600 0.709 1
1 1096 . 10 1 1 A 94 94 PRO CB C 94 31.463 31.701 -0.238 1
1 1099 . 10 1 1 A 95 95 SER H H 95 8.722 8.312 0.410 1
1 1100 . 10 1 1 A 95 95 SER HA H 95 4.923 4.900 0.023 1
1 1103 . 10 1 1 A 95 95 SER C C 95 176.215 175.407 0.808 1
1 1104 . 10 1 1 A 95 95 SER CA C 95 58.955 58.131 0.824 1
1 1105 . 10 1 1 A 95 95 SER CB C 95 64.884 64.294 0.590 1
1 1106 . 10 1 1 A 95 95 SER N N 95 122.184 115.088 7.096 1
1 1107 . 10 1 1 A 96 96 ILE H H 96 8.915 8.558 0.357 1
1 1108 . 10 1 1 A 96 96 ILE HA H 96 4.609 4.490 0.119 1
1 1118 . 10 1 1 A 96 96 ILE C C 96 174.546 176.367 -1.821 1
1 1119 . 10 1 1 A 96 96 ILE CA C 96 59.782 61.227 -1.445 1
1 1120 . 10 1 1 A 96 96 ILE CB C 96 40.995 39.696 1.299 1
1 1124 . 10 1 1 A 96 96 ILE N N 96 115.463 119.971 -4.508 1
1 1125 . 10 1 1 A 97 97 GLN H H 97 8.292 7.841 0.451 1
1 1126 . 10 1 1 A 97 97 GLN HA H 97 5.849 4.312 1.537 1
1 1133 . 10 1 1 A 97 97 GLN C C 97 176.173 174.614 1.559 1
1 1134 . 10 1 1 A 97 97 GLN CA C 97 54.361 56.847 -2.486 1
1 1135 . 10 1 1 A 97 97 GLN CB C 97 31.102 26.493 4.609 1
1 1137 . 10 1 1 A 97 97 GLN N N 97 117.686 117.765 -0.079 1
1 1139 . 10 1 1 A 98 98 SER H H 98 8.751 7.857 0.894 1
1 1140 . 10 1 1 A 98 98 SER HA H 98 4.618 4.504 0.114 1
1 1143 . 10 1 1 A 98 98 SER C C 98 172.310 173.484 -1.174 1
1 1144 . 10 1 1 A 98 98 SER CA C 98 57.019 58.380 -1.361 1
1 1145 . 10 1 1 A 98 98 SER CB C 98 64.588 63.737 0.851 1
1 1146 . 10 1 1 A 98 98 SER N N 98 115.969 113.184 2.785 1
1 1147 . 10 1 1 A 99 99 ARG H H 99 8.519 8.834 -0.315 1
1 1148 . 10 1 1 A 99 99 ARG HA H 99 5.627 5.025 0.602 1
1 1156 . 10 1 1 A 99 99 ARG C C 99 176.394 175.868 0.526 1
1 1157 . 10 1 1 A 99 99 ARG CA C 99 53.705 55.800 -2.095 1
1 1158 . 10 1 1 A 99 99 ARG CB C 99 32.853 31.123 1.730 1
1 1161 . 10 1 1 A 99 99 ARG N N 99 132.343 129.522 2.821 1
1 1163 . 10 1 1 A 100 100 THR H H 100 8.808 8.322 0.486 1
1 1164 . 10 1 1 A 100 100 THR HA H 100 4.182 4.255 -0.073 1
1 1169 . 10 1 1 A 100 100 THR C C 100 175.465 174.520 0.945 1
1 1170 . 10 1 1 A 100 100 THR CA C 100 61.701 62.681 -0.980 1
1 1171 . 10 1 1 A 100 100 THR CB C 100 69.515 69.784 -0.269 1
1 1173 . 10 1 1 A 100 100 THR N N 100 116.147 118.169 -2.022 1
1 1174 . 10 1 1 A 101 101 MET H H 101 7.254 8.564 -1.310 1
1 1175 . 10 1 1 A 101 101 MET HA H 101 4.504 4.623 -0.119 1
1 1183 . 10 1 1 A 101 101 MET C C 101 174.574 175.415 -0.841 1
1 1184 . 10 1 1 A 101 101 MET CA C 101 54.324 53.994 0.330 1
1 1185 . 10 1 1 A 101 101 MET CB C 101 32.235 32.329 -0.094 1
1 1188 . 10 1 1 A 101 101 MET N N 101 117.475 121.614 -4.139 1
1 1189 . 10 1 1 A 102 102 PRO HA H 102 4.647 4.717 -0.070 1
1 1196 . 10 1 1 A 102 102 PRO CA C 102 62.553 62.578 -0.025 1
1 1197 . 10 1 1 A 102 102 PRO CB C 102 32.011 31.235 0.776 1
1 1 . 11 1 1 A 6 6 SER HA H 6 4.535 4.688 -0.153 1
1 4 . 11 1 1 A 6 6 SER CA C 6 58.104 59.126 -1.022 1
1 5 . 11 1 1 A 6 6 SER CB C 6 64.201 65.718 -1.517 1
1 6 . 11 1 1 A 7 7 GLY H H 7 7.998 7.927 0.071 1
1 7 . 11 1 1 A 7 7 GLY HA2 H 7 3.978 3.976 0.002 1
1 8 . 11 1 1 A 7 7 GLY HA3 H 7 3.515 4.014 -0.499 1
1 9 . 11 1 1 A 7 7 GLY CA C 7 44.050 44.493 -0.443 1
1 10 . 11 1 1 A 7 7 GLY N N 7 108.741 108.433 0.308 1
1 11 . 11 1 1 A 8 8 PRO HA H 8 4.324 4.629 -0.305 1
1 18 . 11 1 1 A 8 8 PRO CA C 8 63.624 62.810 0.814 1
1 19 . 11 1 1 A 8 8 PRO CB C 8 32.235 32.860 -0.625 1
1 22 . 11 1 1 A 9 9 SER H H 9 8.323 8.693 -0.370 1
1 23 . 11 1 1 A 9 9 SER HA H 9 4.512 4.691 -0.179 1
1 26 . 11 1 1 A 9 9 SER C C 9 174.410 173.908 0.502 1
1 27 . 11 1 1 A 9 9 SER CA C 9 57.701 57.275 0.426 1
1 28 . 11 1 1 A 9 9 SER CB C 9 63.909 64.113 -0.204 1
1 29 . 11 1 1 A 9 9 SER N N 9 115.299 116.119 -0.820 1
1 30 . 11 1 1 A 10 10 GLY H H 10 7.439 8.012 -0.573 1
1 31 . 11 1 1 A 10 10 GLY HA2 H 10 4.383 4.112 0.271 1
1 32 . 11 1 1 A 10 10 GLY HA3 H 10 3.951 4.146 -0.195 1
1 33 . 11 1 1 A 10 10 GLY C C 10 172.743 172.785 -0.042 1
1 34 . 11 1 1 A 10 10 GLY CA C 10 43.924 44.369 -0.445 1
1 35 . 11 1 1 A 10 10 GLY N N 10 107.797 109.909 -2.112 1
1 36 . 11 1 1 A 11 11 PHE H H 11 7.534 8.261 -0.727 1
1 37 . 11 1 1 A 11 11 PHE HA H 11 5.519 5.260 0.259 1
1 44 . 11 1 1 A 11 11 PHE C C 11 173.822 174.287 -0.465 1
1 45 . 11 1 1 A 11 11 PHE CA C 11 52.513 54.741 -2.228 1
1 46 . 11 1 1 A 11 11 PHE CB C 11 38.744 41.191 -2.447 1
1 51 . 11 1 1 A 11 11 PHE N N 11 115.246 118.675 -3.429 1
1 52 . 11 1 1 A 12 12 PRO HA H 12 4.285 4.720 -0.435 1
1 59 . 11 1 1 A 12 12 PRO C C 12 175.173 175.319 -0.146 1
1 60 . 11 1 1 A 12 12 PRO CA C 12 63.707 62.544 1.163 1
1 61 . 11 1 1 A 12 12 PRO CB C 12 32.344 33.462 -1.118 1
1 64 . 11 1 1 A 13 13 GLN H H 13 7.469 8.279 -0.810 1
1 65 . 11 1 1 A 13 13 GLN HA H 13 4.511 4.879 -0.368 1
1 72 . 11 1 1 A 13 13 GLN C C 13 175.349 175.131 0.218 1
1 73 . 11 1 1 A 13 13 GLN CA C 13 54.572 54.388 0.184 1
1 74 . 11 1 1 A 13 13 GLN CB C 13 32.848 31.594 1.254 1
1 76 . 11 1 1 A 13 13 GLN N N 13 120.555 118.587 1.968 1
1 78 . 11 1 1 A 14 14 ASN H H 14 8.978 8.861 0.117 1
1 79 . 11 1 1 A 14 14 ASN HA H 14 4.424 4.415 0.009 1
1 84 . 11 1 1 A 14 14 ASN C C 14 174.770 173.883 0.887 1
1 85 . 11 1 1 A 14 14 ASN CA C 14 54.079 54.162 -0.083 1
1 86 . 11 1 1 A 14 14 ASN CB C 14 37.343 37.017 0.326 1
1 87 . 11 1 1 A 14 14 ASN N N 14 114.024 115.971 -1.947 1
1 89 . 11 1 1 A 15 15 LEU H H 15 8.437 7.968 0.469 1
1 90 . 11 1 1 A 15 15 LEU HA H 15 5.062 4.589 0.473 1
1 100 . 11 1 1 A 15 15 LEU C C 15 177.001 175.624 1.377 1
1 101 . 11 1 1 A 15 15 LEU CA C 15 56.667 55.346 1.321 1
1 102 . 11 1 1 A 15 15 LEU CB C 15 41.720 42.822 -1.102 1
1 106 . 11 1 1 A 15 15 LEU N N 15 121.843 121.630 0.213 1
1 107 . 11 1 1 A 16 16 HIS H H 16 9.492 8.275 1.217 1
1 108 . 11 1 1 A 16 16 HIS HA H 16 4.987 5.189 -0.202 1
1 113 . 11 1 1 A 16 16 HIS C C 16 171.333 171.731 -0.398 1
1 114 . 11 1 1 A 16 16 HIS CA C 16 55.153 54.746 0.407 1
1 115 . 11 1 1 A 16 16 HIS CB C 16 30.515 31.690 -1.175 1
1 118 . 11 1 1 A 16 16 HIS N N 16 121.636 121.095 0.541 1
1 119 . 11 1 1 A 17 17 VAL H H 17 8.606 8.699 -0.093 1
1 120 . 11 1 1 A 17 17 VAL HA H 17 4.663 4.938 -0.275 1
1 128 . 11 1 1 A 17 17 VAL C C 17 177.740 176.172 1.568 1
1 129 . 11 1 1 A 17 17 VAL CA C 17 61.771 59.658 2.113 1
1 130 . 11 1 1 A 17 17 VAL CB C 17 33.476 34.466 -0.990 1
1 133 . 11 1 1 A 17 17 VAL N N 17 120.868 119.882 0.986 1
1 134 . 11 1 1 A 18 18 THR H H 18 9.022 8.882 0.140 1
1 135 . 11 1 1 A 18 18 THR HA H 18 4.516 4.443 0.073 1
1 140 . 11 1 1 A 18 18 THR C C 18 174.913 174.544 0.369 1
1 141 . 11 1 1 A 18 18 THR CA C 18 61.472 63.304 -1.832 1
1 142 . 11 1 1 A 18 18 THR CB C 18 68.725 70.362 -1.637 1
1 144 . 11 1 1 A 18 18 THR N N 18 117.096 122.324 -5.228 1
1 145 . 11 1 1 A 19 19 GLY H H 19 7.443 7.384 0.059 1
1 146 . 11 1 1 A 19 19 GLY HA2 H 19 4.177 4.031 0.146 1
1 147 . 11 1 1 A 19 19 GLY HA3 H 19 3.909 4.038 -0.129 1
1 148 . 11 1 1 A 19 19 GLY C C 19 170.720 172.848 -2.128 1
1 149 . 11 1 1 A 19 19 GLY CA C 19 45.877 45.636 0.241 1
1 150 . 11 1 1 A 19 19 GLY N N 19 111.594 108.427 3.167 1
1 151 . 11 1 1 A 20 20 LEU H H 20 8.400 8.400 0.000 1
1 152 . 11 1 1 A 20 20 LEU HA H 20 4.803 4.406 0.397 1
1 162 . 11 1 1 A 20 20 LEU C C 20 175.350 176.034 -0.684 1
1 163 . 11 1 1 A 20 20 LEU CA C 20 55.557 54.400 1.157 1
1 164 . 11 1 1 A 20 20 LEU CB C 20 46.554 43.481 3.073 1
1 168 . 11 1 1 A 20 20 LEU N N 20 121.661 121.107 0.554 1
1 169 . 11 1 1 A 21 21 THR H H 21 7.720 8.476 -0.756 1
1 170 . 11 1 1 A 21 21 THR HA H 21 4.900 4.694 0.206 1
1 175 . 11 1 1 A 21 21 THR C C 21 174.986 175.065 -0.079 1
1 176 . 11 1 1 A 21 21 THR CA C 21 61.049 61.018 0.031 1
1 177 . 11 1 1 A 21 21 THR CB C 21 71.081 72.898 -1.817 1
1 179 . 11 1 1 A 21 21 THR N N 21 112.043 113.079 -1.036 1
1 180 . 11 1 1 A 22 22 THR H H 22 7.782 8.557 -0.775 1
1 181 . 11 1 1 A 22 22 THR HA H 22 4.657 4.146 0.511 1
1 186 . 11 1 1 A 22 22 THR C C 22 174.110 175.775 -1.665 1
1 187 . 11 1 1 A 22 22 THR CA C 22 63.654 65.055 -1.401 1
1 188 . 11 1 1 A 22 22 THR CB C 22 69.834 68.187 1.647 1
1 190 . 11 1 1 A 22 22 THR N N 22 110.558 118.269 -7.711 1
1 191 . 11 1 1 A 23 23 SER H H 23 7.289 7.827 -0.538 1
1 192 . 11 1 1 A 23 23 SER HA H 23 4.717 4.696 0.021 1
1 195 . 11 1 1 A 23 23 SER C C 23 173.680 174.251 -0.571 1
1 196 . 11 1 1 A 23 23 SER CA C 23 57.212 59.900 -2.688 1
1 197 . 11 1 1 A 23 23 SER CB C 23 66.012 64.951 1.061 1
1 198 . 11 1 1 A 23 23 SER N N 23 107.116 115.770 -8.654 1
1 199 . 11 1 1 A 24 24 THR H H 24 7.174 7.782 -0.608 1
1 200 . 11 1 1 A 24 24 THR HA H 24 5.377 4.794 0.583 1
1 205 . 11 1 1 A 24 24 THR C C 24 176.427 173.548 2.879 1
1 206 . 11 1 1 A 24 24 THR CA C 24 58.656 59.630 -0.974 1
1 207 . 11 1 1 A 24 24 THR CB C 24 73.018 71.545 1.473 1
1 209 . 11 1 1 A 24 24 THR N N 24 111.053 112.228 -1.175 1
1 210 . 11 1 1 A 25 25 THR H H 25 8.180 8.770 -0.590 1
1 211 . 11 1 1 A 25 25 THR HA H 25 4.608 4.948 -0.340 1
1 216 . 11 1 1 A 25 25 THR C C 25 170.451 173.542 -3.091 1
1 217 . 11 1 1 A 25 25 THR CA C 25 63.619 61.587 2.032 1
1 218 . 11 1 1 A 25 25 THR CB C 25 75.464 71.501 3.963 1
1 220 . 11 1 1 A 25 25 THR N N 25 117.664 116.063 1.601 1
1 221 . 11 1 1 A 26 26 GLU H H 26 9.197 8.708 0.489 1
1 222 . 11 1 1 A 26 26 GLU HA H 26 4.706 4.473 0.233 1
1 227 . 11 1 1 A 26 26 GLU C C 26 174.626 175.744 -1.118 1
1 228 . 11 1 1 A 26 26 GLU CA C 26 55.751 57.154 -1.403 1
1 229 . 11 1 1 A 26 26 GLU CB C 26 30.917 30.761 0.156 1
1 231 . 11 1 1 A 26 26 GLU N N 26 130.706 126.818 3.888 1
1 232 . 11 1 1 A 27 27 LEU H H 27 9.001 8.432 0.569 1
1 233 . 11 1 1 A 27 27 LEU HA H 27 5.273 5.287 -0.014 1
1 243 . 11 1 1 A 27 27 LEU C C 27 176.770 175.704 1.066 1
1 244 . 11 1 1 A 27 27 LEU CA C 27 53.165 53.725 -0.560 1
1 245 . 11 1 1 A 27 27 LEU CB C 27 47.693 47.072 0.621 1
1 249 . 11 1 1 A 27 27 LEU N N 27 124.564 121.111 3.453 1
1 250 . 11 1 1 A 28 28 ALA H H 28 8.640 8.437 0.203 1
1 251 . 11 1 1 A 28 28 ALA HA H 28 4.577 4.748 -0.171 1
1 255 . 11 1 1 A 28 28 ALA C C 28 174.523 175.133 -0.610 1
1 256 . 11 1 1 A 28 28 ALA CA C 28 51.404 51.875 -0.471 1
1 257 . 11 1 1 A 28 28 ALA CB C 28 23.304 20.821 2.483 1
1 258 . 11 1 1 A 28 28 ALA N N 28 122.531 121.339 1.192 1
1 259 . 11 1 1 A 29 29 TRP H H 29 7.581 8.058 -0.477 1
1 260 . 11 1 1 A 29 29 TRP HA H 29 4.868 5.600 -0.732 1
1 269 . 11 1 1 A 29 29 TRP C C 29 172.280 173.169 -0.889 1
1 270 . 11 1 1 A 29 29 TRP CA C 29 56.948 54.720 2.228 1
1 271 . 11 1 1 A 29 29 TRP CB C 29 29.667 32.234 -2.567 1
1 277 . 11 1 1 A 29 29 TRP N N 29 115.551 120.613 -5.062 1
1 279 . 11 1 1 A 30 30 ASP H H 30 9.276 9.356 -0.080 1
1 280 . 11 1 1 A 30 30 ASP HA H 30 5.443 5.068 0.375 1
1 283 . 11 1 1 A 30 30 ASP C C 30 173.846 173.541 0.305 1
1 284 . 11 1 1 A 30 30 ASP CA C 30 51.562 50.931 0.631 1
1 285 . 11 1 1 A 30 30 ASP CB C 30 42.533 42.893 -0.360 1
1 286 . 11 1 1 A 30 30 ASP N N 30 117.265 119.835 -2.570 1
1 287 . 11 1 1 A 31 31 PRO HA H 31 5.105 4.941 0.164 1
1 294 . 11 1 1 A 31 31 PRO CA C 31 61.905 61.578 0.327 1
1 295 . 11 1 1 A 31 31 PRO CB C 31 29.864 31.585 -1.721 1
1 298 . 11 1 1 A 32 32 PRO HA H 32 4.580 4.467 0.113 1
1 305 . 11 1 1 A 32 32 PRO CA C 32 62.036 62.752 -0.716 1
1 306 . 11 1 1 A 32 32 PRO CB C 32 30.840 31.956 -1.116 1
1 309 . 11 1 1 A 33 33 VAL H H 33 8.755 8.119 0.636 1
1 310 . 11 1 1 A 33 33 VAL HA H 33 3.994 4.199 -0.205 1
1 318 . 11 1 1 A 33 33 VAL CA C 33 62.553 61.974 0.579 1
1 319 . 11 1 1 A 33 33 VAL CB C 33 31.763 32.193 -0.430 1
1 322 . 11 1 1 A 33 33 VAL N N 33 120.113 119.534 0.579 1
1 323 . 11 1 1 A 34 34 LEU H H 34 8.469 8.850 -0.381 1
1 324 . 11 1 1 A 34 34 LEU HA H 34 3.768 3.903 -0.135 1
1 334 . 11 1 1 A 34 34 LEU CA C 34 58.809 58.168 0.641 1
1 335 . 11 1 1 A 34 34 LEU CB C 34 42.426 41.692 0.734 1
1 339 . 11 1 1 A 34 34 LEU N N 34 125.095 124.867 0.228 1
1 340 . 11 1 1 A 35 35 ALA H H 35 8.586 7.912 0.674 1
1 341 . 11 1 1 A 35 35 ALA HA H 35 4.171 4.093 0.078 1
1 345 . 11 1 1 A 35 35 ALA CA C 35 53.957 55.297 -1.340 1
1 346 . 11 1 1 A 35 35 ALA CB C 35 19.056 18.539 0.517 1
1 347 . 11 1 1 A 35 35 ALA N N 35 119.010 121.940 -2.930 1
1 348 . 11 1 1 A 36 36 GLU H H 36 8.070 7.786 0.284 1
1 349 . 11 1 1 A 36 36 GLU HA H 36 4.305 4.403 -0.098 1
1 354 . 11 1 1 A 36 36 GLU CA C 36 55.527 55.479 0.048 1
1 355 . 11 1 1 A 36 36 GLU CB C 36 29.845 28.497 1.348 1
1 357 . 11 1 1 A 36 36 GLU N N 36 115.604 115.100 0.504 1
1 358 . 11 1 1 A 37 37 ARG HA H 37 3.758 4.865 -1.107 1
1 365 . 11 1 1 A 37 37 ARG CA C 37 60.050 54.331 5.719 1
1 366 . 11 1 1 A 37 37 ARG CB C 37 30.804 32.622 -1.818 1
1 369 . 11 1 1 A 37 37 ARG N N 37 122.198 123.935 -1.737 1
1 370 . 11 1 1 A 38 38 ASN H H 38 8.093 8.941 -0.848 1
1 371 . 11 1 1 A 38 38 ASN HA H 38 4.291 4.919 -0.628 1
1 376 . 11 1 1 A 38 38 ASN C C 38 174.619 174.729 -0.110 1
1 377 . 11 1 1 A 38 38 ASN CA C 38 53.287 52.986 0.301 1
1 378 . 11 1 1 A 38 38 ASN CB C 38 37.482 38.950 -1.468 1
1 379 . 11 1 1 A 38 38 ASN N N 38 109.319 121.915 -12.596 1
1 381 . 11 1 1 A 39 39 GLY H H 39 7.575 7.505 0.070 1
1 382 . 11 1 1 A 39 39 GLY HA2 H 39 4.320 4.167 0.153 1
1 383 . 11 1 1 A 39 39 GLY HA3 H 39 3.697 4.169 -0.472 1
1 384 . 11 1 1 A 39 39 GLY C C 39 172.138 171.903 0.235 1
1 385 . 11 1 1 A 39 39 GLY CA C 39 43.766 45.402 -1.636 1
1 386 . 11 1 1 A 39 39 GLY N N 39 105.607 107.434 -1.827 1
1 387 . 11 1 1 A 40 40 ARG H H 40 8.180 8.562 -0.382 1
1 388 . 11 1 1 A 40 40 ARG HA H 40 4.333 5.174 -0.841 1
1 395 . 11 1 1 A 40 40 ARG C C 40 176.395 174.522 1.873 1
1 396 . 11 1 1 A 40 40 ARG CA C 40 55.453 54.073 1.380 1
1 397 . 11 1 1 A 40 40 ARG CB C 40 30.999 33.959 -2.960 1
1 400 . 11 1 1 A 40 40 ARG N N 40 119.566 120.315 -0.749 1
1 401 . 11 1 1 A 41 41 ILE H H 41 8.991 9.022 -0.031 1
1 402 . 11 1 1 A 41 41 ILE HA H 41 4.256 4.760 -0.504 1
1 412 . 11 1 1 A 41 41 ILE CA C 41 59.279 60.401 -1.122 1
1 413 . 11 1 1 A 41 41 ILE CB C 41 35.329 39.919 -4.590 1
1 417 . 11 1 1 A 41 41 ILE N N 41 127.226 122.368 4.858 1
1 418 . 11 1 1 A 42 42 ILE H H 42 8.721 9.063 -0.342 1
1 419 . 11 1 1 A 42 42 ILE HA H 42 4.475 4.548 -0.073 1
1 429 . 11 1 1 A 42 42 ILE C C 42 175.959 176.027 -0.068 1
1 430 . 11 1 1 A 42 42 ILE CA C 42 61.208 61.215 -0.007 1
1 431 . 11 1 1 A 42 42 ILE CB C 42 39.771 39.682 0.089 1
1 435 . 11 1 1 A 42 42 ILE N N 42 122.018 120.406 1.612 1
1 436 . 11 1 1 A 43 43 SER H H 43 7.425 7.744 -0.319 1
1 437 . 11 1 1 A 43 43 SER HA H 43 4.555 4.953 -0.398 1
1 440 . 11 1 1 A 43 43 SER C C 43 170.232 171.478 -1.246 1
1 441 . 11 1 1 A 43 43 SER CA C 43 58.234 57.557 0.677 1
1 442 . 11 1 1 A 43 43 SER CB C 43 64.287 65.314 -1.027 1
1 443 . 11 1 1 A 43 43 SER N N 43 113.043 113.802 -0.759 1
1 444 . 11 1 1 A 44 44 TYR H H 44 9.297 8.349 0.948 1
1 445 . 11 1 1 A 44 44 TYR HA H 44 5.741 5.810 -0.069 1
1 452 . 11 1 1 A 44 44 TYR C C 44 175.735 175.253 0.482 1
1 453 . 11 1 1 A 44 44 TYR CA C 44 57.137 56.593 0.544 1
1 454 . 11 1 1 A 44 44 TYR CB C 44 42.410 43.420 -1.010 1
1 459 . 11 1 1 A 44 44 TYR N N 44 116.157 118.855 -2.698 1
1 460 . 11 1 1 A 45 45 THR H H 45 8.778 8.890 -0.112 1
1 461 . 11 1 1 A 45 45 THR HA H 45 5.094 5.091 0.003 1
1 466 . 11 1 1 A 45 45 THR C C 45 173.026 173.471 -0.445 1
1 467 . 11 1 1 A 45 45 THR CA C 45 61.853 61.695 0.158 1
1 468 . 11 1 1 A 45 45 THR CB C 45 71.072 70.179 0.893 1
1 470 . 11 1 1 A 45 45 THR N N 45 114.801 116.351 -1.550 1
1 471 . 11 1 1 A 46 46 VAL H H 46 9.145 8.605 0.540 1
1 472 . 11 1 1 A 46 46 VAL HA H 46 4.244 4.629 -0.385 1
1 480 . 11 1 1 A 46 46 VAL C C 46 174.278 175.339 -1.061 1
1 481 . 11 1 1 A 46 46 VAL CA C 46 61.137 62.377 -1.240 1
1 482 . 11 1 1 A 46 46 VAL CB C 46 32.999 31.042 1.957 1
1 485 . 11 1 1 A 46 46 VAL N N 46 127.180 127.876 -0.696 1
1 486 . 11 1 1 A 47 47 VAL H H 47 9.041 8.839 0.202 1
1 487 . 11 1 1 A 47 47 VAL HA H 47 5.004 4.640 0.364 1
1 495 . 11 1 1 A 47 47 VAL C C 47 175.023 175.664 -0.641 1
1 496 . 11 1 1 A 47 47 VAL CA C 47 60.996 61.561 -0.565 1
1 497 . 11 1 1 A 47 47 VAL CB C 47 33.488 32.084 1.404 1
1 500 . 11 1 1 A 47 47 VAL N N 47 128.169 128.653 -0.484 1
1 501 . 11 1 1 A 48 48 PHE H H 48 9.169 8.873 0.296 1
1 502 . 11 1 1 A 48 48 PHE HA H 48 6.209 6.080 0.129 1
1 510 . 11 1 1 A 48 48 PHE C C 48 173.210 173.567 -0.357 1
1 511 . 11 1 1 A 48 48 PHE CA C 48 54.702 54.979 -0.277 1
1 512 . 11 1 1 A 48 48 PHE CB C 48 43.316 42.831 0.485 1
1 518 . 11 1 1 A 48 48 PHE N N 48 123.753 124.155 -0.402 1
1 519 . 11 1 1 A 49 49 ARG H H 49 8.693 8.519 0.174 1
1 520 . 11 1 1 A 49 49 ARG HA H 49 4.817 4.721 0.096 1
1 528 . 11 1 1 A 49 49 ARG C C 49 175.280 173.972 1.308 1
1 529 . 11 1 1 A 49 49 ARG CA C 49 54.801 55.258 -0.457 1
1 530 . 11 1 1 A 49 49 ARG CB C 49 35.242 34.291 0.951 1
1 533 . 11 1 1 A 49 49 ARG N N 49 118.793 120.528 -1.735 1
1 535 . 11 1 1 A 50 50 ASP H H 50 8.820 8.907 -0.087 1
1 536 . 11 1 1 A 50 50 ASP HA H 50 4.029 4.379 -0.350 1
1 539 . 11 1 1 A 50 50 ASP C C 50 178.592 177.689 0.903 1
1 540 . 11 1 1 A 50 50 ASP CA C 50 53.498 54.271 -0.773 1
1 541 . 11 1 1 A 50 50 ASP CB C 50 40.543 40.191 0.352 1
1 542 . 11 1 1 A 50 50 ASP N N 50 128.720 125.334 3.386 1
1 543 . 11 1 1 A 51 51 ILE H H 51 8.315 8.410 -0.095 1
1 544 . 11 1 1 A 51 51 ILE HA H 51 3.892 3.729 0.163 1
1 554 . 11 1 1 A 51 51 ILE C C 51 176.905 176.884 0.021 1
1 555 . 11 1 1 A 51 51 ILE CA C 51 64.569 63.328 1.241 1
1 556 . 11 1 1 A 51 51 ILE CB C 51 38.126 37.688 0.438 1
1 560 . 11 1 1 A 51 51 ILE N N 51 124.642 124.169 0.473 1
1 561 . 11 1 1 A 52 52 ASN H H 52 8.677 7.577 1.100 1
1 562 . 11 1 1 A 52 52 ASN HA H 52 4.760 4.719 0.041 1
1 567 . 11 1 1 A 52 52 ASN C C 52 174.645 175.398 -0.753 1
1 568 . 11 1 1 A 52 52 ASN CA C 52 53.851 54.271 -0.420 1
1 569 . 11 1 1 A 52 52 ASN CB C 52 39.032 39.748 -0.716 1
1 570 . 11 1 1 A 52 52 ASN N N 52 119.201 118.876 0.325 1
1 572 . 11 1 1 A 53 53 SER H H 53 8.409 8.090 0.319 1
1 573 . 11 1 1 A 53 53 SER HA H 53 4.663 4.889 -0.226 1
1 576 . 11 1 1 A 53 53 SER C C 53 173.861 173.915 -0.054 1
1 577 . 11 1 1 A 53 53 SER CA C 53 56.702 57.073 -0.371 1
1 578 . 11 1 1 A 53 53 SER CB C 53 65.730 66.213 -0.483 1
1 579 . 11 1 1 A 53 53 SER N N 53 116.494 114.038 2.456 1
1 580 . 11 1 1 A 54 54 GLN H H 54 8.489 8.482 0.007 1
1 581 . 11 1 1 A 54 54 GLN HA H 54 4.329 4.567 -0.238 1
1 588 . 11 1 1 A 54 54 GLN C C 54 175.789 175.087 0.702 1
1 589 . 11 1 1 A 54 54 GLN CA C 54 55.857 55.174 0.683 1
1 590 . 11 1 1 A 54 54 GLN CB C 54 28.847 29.061 -0.214 1
1 592 . 11 1 1 A 54 54 GLN N N 54 119.700 119.673 0.027 1
1 594 . 11 1 1 A 55 55 GLN H H 55 8.108 7.646 0.462 1
1 595 . 11 1 1 A 55 55 GLN HA H 55 4.269 4.762 -0.493 1
1 602 . 11 1 1 A 55 55 GLN C C 55 174.076 174.381 -0.305 1
1 603 . 11 1 1 A 55 55 GLN CA C 55 55.689 54.700 0.989 1
1 604 . 11 1 1 A 55 55 GLN CB C 55 29.352 29.927 -0.575 1
1 606 . 11 1 1 A 55 55 GLN N N 55 120.355 121.594 -1.239 1
1 608 . 11 1 1 A 56 56 GLU H H 56 8.603 8.830 -0.227 1
1 609 . 11 1 1 A 56 56 GLU HA H 56 4.372 4.762 -0.390 1
1 614 . 11 1 1 A 56 56 GLU C C 56 175.058 175.454 -0.396 1
1 615 . 11 1 1 A 56 56 GLU CA C 56 55.594 56.005 -0.411 1
1 616 . 11 1 1 A 56 56 GLU CB C 56 31.640 30.818 0.822 1
1 618 . 11 1 1 A 56 56 GLU N N 56 126.250 128.885 -2.635 1
1 619 . 11 1 1 A 57 57 LEU H H 57 8.520 8.085 0.435 1
1 620 . 11 1 1 A 57 57 LEU HA H 57 4.458 4.767 -0.309 1
1 630 . 11 1 1 A 57 57 LEU C C 57 174.850 174.525 0.325 1
1 631 . 11 1 1 A 57 57 LEU CA C 57 53.780 53.141 0.639 1
1 632 . 11 1 1 A 57 57 LEU CB C 57 43.903 46.362 -2.459 1
1 636 . 11 1 1 A 57 57 LEU N N 57 127.205 125.813 1.392 1
1 637 . 11 1 1 A 58 58 GLN H H 58 7.992 8.649 -0.657 1
1 638 . 11 1 1 A 58 58 GLN HA H 58 5.865 5.486 0.379 1
1 645 . 11 1 1 A 58 58 GLN C C 58 175.948 173.596 2.352 1
1 646 . 11 1 1 A 58 58 GLN CA C 58 53.944 54.449 -0.505 1
1 647 . 11 1 1 A 58 58 GLN CB C 58 32.786 32.614 0.172 1
1 649 . 11 1 1 A 58 58 GLN N N 58 113.562 117.984 -4.422 1
1 651 . 11 1 1 A 59 59 ASN H H 59 9.073 9.115 -0.042 1
1 652 . 11 1 1 A 59 59 ASN HA H 59 5.068 5.464 -0.396 1
1 657 . 11 1 1 A 59 59 ASN C C 59 172.790 174.060 -1.270 1
1 658 . 11 1 1 A 59 59 ASN CA C 59 53.023 51.631 1.392 1
1 659 . 11 1 1 A 59 59 ASN CB C 59 45.541 42.887 2.654 1
1 660 . 11 1 1 A 59 59 ASN N N 59 119.984 117.613 2.371 1
1 662 . 11 1 1 A 60 60 ILE H H 60 8.491 8.483 0.008 1
1 663 . 11 1 1 A 60 60 ILE HA H 60 5.147 5.103 0.044 1
1 673 . 11 1 1 A 60 60 ILE C C 60 175.088 174.510 0.578 1
1 674 . 11 1 1 A 60 60 ILE CA C 60 59.853 60.145 -0.292 1
1 675 . 11 1 1 A 60 60 ILE CB C 60 40.891 41.070 -0.179 1
1 679 . 11 1 1 A 60 60 ILE N N 60 119.480 120.561 -1.081 1
1 680 . 11 1 1 A 61 61 THR H H 61 8.755 8.434 0.321 1
1 681 . 11 1 1 A 61 61 THR HA H 61 4.976 5.196 -0.220 1
1 686 . 11 1 1 A 61 61 THR C C 61 172.097 173.913 -1.816 1
1 687 . 11 1 1 A 61 61 THR CA C 61 59.905 60.148 -0.243 1
1 688 . 11 1 1 A 61 61 THR CB C 61 69.505 71.547 -2.042 1
1 690 . 11 1 1 A 61 61 THR N N 61 118.083 120.024 -1.941 1
1 691 . 11 1 1 A 62 62 THR H H 62 8.325 8.572 -0.247 1
1 692 . 11 1 1 A 62 62 THR HA H 62 4.641 4.533 0.108 1
1 697 . 11 1 1 A 62 62 THR C C 62 174.386 173.251 1.135 1
1 698 . 11 1 1 A 62 62 THR CA C 62 62.440 62.133 0.307 1
1 699 . 11 1 1 A 62 62 THR CB C 62 69.355 68.711 0.644 1
1 701 . 11 1 1 A 62 62 THR N N 62 115.077 117.186 -2.109 1
1 702 . 11 1 1 A 63 63 ASP H H 63 8.611 7.728 0.883 1
1 703 . 11 1 1 A 63 63 ASP HA H 63 4.962 5.085 -0.123 1
1 706 . 11 1 1 A 63 63 ASP C C 63 172.906 176.540 -3.634 1
1 707 . 11 1 1 A 63 63 ASP CA C 63 52.981 53.063 -0.082 1
1 708 . 11 1 1 A 63 63 ASP CB C 63 43.465 44.507 -1.042 1
1 709 . 11 1 1 A 63 63 ASP N N 63 125.713 121.293 4.420 1
1 710 . 11 1 1 A 64 64 THR H H 64 7.925 8.306 -0.381 1
1 711 . 11 1 1 A 64 64 THR HA H 64 3.088 3.772 -0.684 1
1 716 . 11 1 1 A 64 64 THR C C 64 172.176 171.948 0.228 1
1 717 . 11 1 1 A 64 64 THR CA C 64 59.078 61.470 -2.392 1
1 718 . 11 1 1 A 64 64 THR CB C 64 66.137 68.190 -2.053 1
1 720 . 11 1 1 A 64 64 THR N N 64 104.287 112.677 -8.390 1
1 721 . 11 1 1 A 65 65 ARG H H 65 6.387 7.370 -0.983 1
1 722 . 11 1 1 A 65 65 ARG HA H 65 4.221 3.790 0.431 1
1 729 . 11 1 1 A 65 65 ARG C C 65 174.862 174.310 0.552 1
1 730 . 11 1 1 A 65 65 ARG CA C 65 54.132 53.428 0.704 1
1 731 . 11 1 1 A 65 65 ARG CB C 65 32.928 33.980 -1.052 1
1 734 . 11 1 1 A 65 65 ARG N N 65 115.062 118.622 -3.560 1
1 735 . 11 1 1 A 66 66 PHE H H 66 8.177 8.954 -0.777 1
1 736 . 11 1 1 A 66 66 PHE HA H 66 4.373 4.939 -0.566 1
1 744 . 11 1 1 A 66 66 PHE C C 66 172.804 172.945 -0.141 1
1 745 . 11 1 1 A 66 66 PHE CA C 66 59.536 58.236 1.300 1
1 746 . 11 1 1 A 66 66 PHE CB C 66 44.469 41.931 2.538 1
1 752 . 11 1 1 A 66 66 PHE N N 66 119.991 119.573 0.418 1
1 753 . 11 1 1 A 67 67 THR H H 67 7.332 7.531 -0.199 1
1 754 . 11 1 1 A 67 67 THR HA H 67 4.628 5.098 -0.470 1
1 759 . 11 1 1 A 67 67 THR C C 67 172.910 173.966 -1.056 1
1 760 . 11 1 1 A 67 67 THR CA C 67 61.261 61.035 0.226 1
1 761 . 11 1 1 A 67 67 THR CB C 67 69.260 70.972 -1.712 1
1 763 . 11 1 1 A 67 67 THR N N 67 123.294 118.413 4.881 1
1 764 . 11 1 1 A 68 68 LEU H H 68 8.776 8.906 -0.130 1
1 765 . 11 1 1 A 68 68 LEU HA H 68 4.192 4.317 -0.125 1
1 775 . 11 1 1 A 68 68 LEU C C 68 176.337 175.890 0.447 1
1 776 . 11 1 1 A 68 68 LEU CA C 68 54.394 54.802 -0.408 1
1 777 . 11 1 1 A 68 68 LEU CB C 68 42.394 42.323 0.071 1
1 781 . 11 1 1 A 68 68 LEU N N 68 126.969 127.828 -0.859 1
1 782 . 11 1 1 A 69 69 THR H H 69 7.921 8.191 -0.270 1
1 783 . 11 1 1 A 69 69 THR HA H 69 4.814 4.629 0.185 1
1 788 . 11 1 1 A 69 69 THR C C 69 173.856 173.509 0.347 1
1 789 . 11 1 1 A 69 69 THR CA C 69 59.694 60.601 -0.907 1
1 790 . 11 1 1 A 69 69 THR CB C 69 71.829 71.504 0.325 1
1 792 . 11 1 1 A 69 69 THR N N 69 111.246 111.398 -0.152 1
1 793 . 11 1 1 A 70 70 GLY H H 70 8.894 8.681 0.213 1
1 794 . 11 1 1 A 70 70 GLY HA2 H 70 3.930 3.854 0.076 1
1 795 . 11 1 1 A 70 70 GLY HA3 H 70 3.809 3.878 -0.069 1
1 796 . 11 1 1 A 70 70 GLY C C 70 175.589 174.719 0.870 1
1 797 . 11 1 1 A 70 70 GLY CA C 70 46.178 46.866 -0.688 1
1 798 . 11 1 1 A 70 70 GLY N N 70 107.415 112.196 -4.781 1
1 799 . 11 1 1 A 71 71 LEU H H 71 8.341 8.008 0.333 1
1 800 . 11 1 1 A 71 71 LEU HA H 71 4.195 4.970 -0.775 1
1 810 . 11 1 1 A 71 71 LEU C C 71 175.422 175.296 0.126 1
1 811 . 11 1 1 A 71 71 LEU CA C 71 53.429 53.374 0.055 1
1 812 . 11 1 1 A 71 71 LEU CB C 71 40.650 43.465 -2.815 1
1 816 . 11 1 1 A 71 71 LEU N N 71 118.621 120.300 -1.679 1
1 817 . 11 1 1 A 72 72 LYS H H 72 8.298 9.364 -1.066 1
1 818 . 11 1 1 A 72 72 LYS HA H 72 4.631 4.630 0.001 1
1 827 . 11 1 1 A 72 72 LYS C C 72 174.599 175.513 -0.914 1
1 828 . 11 1 1 A 72 72 LYS CA C 72 53.851 53.993 -0.142 1
1 829 . 11 1 1 A 72 72 LYS CB C 72 33.619 33.673 -0.054 1
1 833 . 11 1 1 A 72 72 LYS N N 72 121.340 122.502 -1.162 1
1 834 . 11 1 1 A 73 73 PRO HA H 73 5.086 4.727 0.359 1
1 841 . 11 1 1 A 73 73 PRO C C 73 178.198 177.227 0.971 1
1 842 . 11 1 1 A 73 73 PRO CA C 73 62.897 63.542 -0.645 1
1 843 . 11 1 1 A 73 73 PRO CB C 73 33.198 32.105 1.093 1
1 846 . 11 1 1 A 74 74 ASP H H 74 7.537 9.019 -1.482 1
1 847 . 11 1 1 A 74 74 ASP HA H 74 4.290 4.279 0.011 1
1 850 . 11 1 1 A 74 74 ASP C C 74 174.390 174.715 -0.325 1
1 851 . 11 1 1 A 74 74 ASP CA C 74 54.343 55.128 -0.785 1
1 852 . 11 1 1 A 74 74 ASP CB C 74 41.393 39.748 1.645 1
1 853 . 11 1 1 A 74 74 ASP N N 74 126.834 121.584 5.250 1
1 854 . 11 1 1 A 75 75 THR H H 75 8.197 7.252 0.945 1
1 855 . 11 1 1 A 75 75 THR HA H 75 4.316 4.780 -0.464 1
1 860 . 11 1 1 A 75 75 THR C C 75 172.076 173.687 -1.611 1
1 861 . 11 1 1 A 75 75 THR CA C 75 63.087 61.416 1.671 1
1 862 . 11 1 1 A 75 75 THR CB C 75 71.822 72.257 -0.435 1
1 864 . 11 1 1 A 75 75 THR N N 75 113.905 112.383 1.522 1
1 865 . 11 1 1 A 76 76 THR H H 76 8.606 8.793 -0.187 1
1 866 . 11 1 1 A 76 76 THR HA H 76 4.641 4.318 0.323 1
1 871 . 11 1 1 A 76 76 THR C C 76 172.308 173.934 -1.626 1
1 872 . 11 1 1 A 76 76 THR CA C 76 63.197 63.657 -0.460 1
1 873 . 11 1 1 A 76 76 THR CB C 76 68.333 69.259 -0.926 1
1 875 . 11 1 1 A 76 76 THR N N 76 124.170 121.705 2.465 1
1 876 . 11 1 1 A 77 77 TYR H H 77 9.230 8.897 0.333 1
1 877 . 11 1 1 A 77 77 TYR HA H 77 5.084 5.073 0.011 1
1 884 . 11 1 1 A 77 77 TYR C C 77 174.065 174.448 -0.383 1
1 885 . 11 1 1 A 77 77 TYR CA C 77 57.443 56.358 1.085 1
1 886 . 11 1 1 A 77 77 TYR CB C 77 41.115 39.804 1.311 1
1 891 . 11 1 1 A 77 77 TYR N N 77 125.729 126.665 -0.936 1
1 892 . 11 1 1 A 78 78 ASP H H 78 9.222 9.407 -0.185 1
1 893 . 11 1 1 A 78 78 ASP HA H 78 5.288 4.787 0.501 1
1 896 . 11 1 1 A 78 78 ASP C C 78 176.268 174.701 1.567 1
1 897 . 11 1 1 A 78 78 ASP CA C 78 53.565 54.151 -0.586 1
1 898 . 11 1 1 A 78 78 ASP CB C 78 44.874 40.702 4.172 1
1 899 . 11 1 1 A 78 78 ASP N N 78 124.016 125.725 -1.709 1
1 900 . 11 1 1 A 79 79 ILE H H 79 9.210 8.766 0.444 1
1 901 . 11 1 1 A 79 79 ILE HA H 79 5.027 5.302 -0.275 1
1 911 . 11 1 1 A 79 79 ILE C C 79 172.968 174.838 -1.870 1
1 912 . 11 1 1 A 79 79 ILE CA C 79 61.102 59.839 1.263 1
1 913 . 11 1 1 A 79 79 ILE CB C 79 41.830 39.623 2.207 1
1 917 . 11 1 1 A 79 79 ILE N N 79 127.527 126.818 0.709 1
1 918 . 11 1 1 A 80 80 LYS H H 80 8.930 9.333 -0.403 1
1 919 . 11 1 1 A 80 80 LYS HA H 80 4.282 5.109 -0.827 1
1 928 . 11 1 1 A 80 80 LYS C C 80 173.716 174.318 -0.602 1
1 929 . 11 1 1 A 80 80 LYS CA C 80 54.749 54.083 0.666 1
1 930 . 11 1 1 A 80 80 LYS CB C 80 37.864 36.572 1.292 1
1 934 . 11 1 1 A 80 80 LYS N N 80 122.620 124.501 -1.881 1
1 935 . 11 1 1 A 81 81 VAL H H 81 8.070 8.816 -0.746 1
1 936 . 11 1 1 A 81 81 VAL HA H 81 5.365 4.862 0.503 1
1 944 . 11 1 1 A 81 81 VAL C C 81 174.099 173.439 0.660 1
1 945 . 11 1 1 A 81 81 VAL CA C 81 59.228 59.525 -0.297 1
1 946 . 11 1 1 A 81 81 VAL CB C 81 36.108 35.011 1.097 1
1 949 . 11 1 1 A 81 81 VAL N N 81 115.045 119.138 -4.093 1
1 950 . 11 1 1 A 82 82 ARG H H 82 8.733 8.894 -0.161 1
1 951 . 11 1 1 A 82 82 ARG HA H 82 4.984 5.084 -0.100 1
1 959 . 11 1 1 A 82 82 ARG C C 82 172.874 174.177 -1.303 1
1 960 . 11 1 1 A 82 82 ARG CA C 82 53.552 54.746 -1.194 1
1 961 . 11 1 1 A 82 82 ARG CB C 82 34.521 33.937 0.584 1
1 964 . 11 1 1 A 82 82 ARG N N 82 122.032 123.513 -1.481 1
1 966 . 11 1 1 A 83 83 ALA H H 83 9.221 8.513 0.708 1
1 967 . 11 1 1 A 83 83 ALA HA H 83 5.132 4.254 0.878 1
1 971 . 11 1 1 A 83 83 ALA C C 83 174.998 176.636 -1.638 1
1 972 . 11 1 1 A 83 83 ALA CA C 83 50.383 51.526 -1.143 1
1 973 . 11 1 1 A 83 83 ALA CB C 83 23.472 20.290 3.182 1
1 974 . 11 1 1 A 83 83 ALA N N 83 124.044 124.476 -0.432 1
1 975 . 11 1 1 A 84 84 TRP H H 84 8.387 8.781 -0.394 1
1 976 . 11 1 1 A 84 84 TRP HA H 84 5.020 5.415 -0.395 1
1 985 . 11 1 1 A 84 84 TRP C C 84 177.430 175.315 2.115 1
1 986 . 11 1 1 A 84 84 TRP CA C 84 56.807 56.127 0.680 1
1 987 . 11 1 1 A 84 84 TRP CB C 84 31.235 32.579 -1.344 1
1 993 . 11 1 1 A 84 84 TRP N N 84 117.779 120.344 -2.565 1
1 995 . 11 1 1 A 85 85 THR H H 85 8.698 8.972 -0.274 1
1 996 . 11 1 1 A 85 85 THR HA H 85 5.190 5.296 -0.106 1
1 1001 . 11 1 1 A 85 85 THR C C 85 176.429 175.548 0.881 1
1 1002 . 11 1 1 A 85 85 THR CA C 85 59.958 59.879 0.079 1
1 1003 . 11 1 1 A 85 85 THR CB C 85 72.646 71.822 0.824 1
1 1005 . 11 1 1 A 85 85 THR N N 85 111.404 112.939 -1.535 1
1 1006 . 11 1 1 A 86 86 SER H H 86 9.765 9.185 0.580 1
1 1007 . 11 1 1 A 86 86 SER HA H 86 4.242 4.207 0.035 1
1 1010 . 11 1 1 A 86 86 SER C C 86 174.834 176.440 -1.606 1
1 1011 . 11 1 1 A 86 86 SER CA C 86 61.014 61.192 -0.178 1
1 1012 . 11 1 1 A 86 86 SER CB C 86 62.807 62.826 -0.019 1
1 1013 . 11 1 1 A 86 86 SER N N 86 115.745 118.086 -2.341 1
1 1014 . 11 1 1 A 87 87 LYS H H 87 7.947 7.798 0.149 1
1 1015 . 11 1 1 A 87 87 LYS HA H 87 4.426 4.271 0.155 1
1 1024 . 11 1 1 A 87 87 LYS C C 87 176.373 177.057 -0.684 1
1 1025 . 11 1 1 A 87 87 LYS CA C 87 55.857 58.512 -2.655 1
1 1026 . 11 1 1 A 87 87 LYS CB C 87 33.386 33.076 0.310 1
1 1030 . 11 1 1 A 87 87 LYS N N 87 118.254 118.824 -0.570 1
1 1031 . 11 1 1 A 88 88 GLY H H 88 7.400 6.983 0.417 1
1 1032 . 11 1 1 A 88 88 GLY HA2 H 88 4.446 4.077 0.369 1
1 1033 . 11 1 1 A 88 88 GLY HA3 H 88 3.990 4.210 -0.220 1
1 1034 . 11 1 1 A 88 88 GLY C C 88 171.366 172.039 -0.673 1
1 1035 . 11 1 1 A 88 88 GLY CA C 88 45.006 46.159 -1.153 1
1 1036 . 11 1 1 A 88 88 GLY N N 88 106.086 104.145 1.941 1
1 1037 . 11 1 1 A 89 89 SER H H 89 8.048 8.484 -0.436 1
1 1038 . 11 1 1 A 89 89 SER HA H 89 3.899 4.681 -0.782 1
1 1041 . 11 1 1 A 89 89 SER CA C 89 56.522 55.652 0.870 1
1 1042 . 11 1 1 A 89 89 SER CB C 89 63.965 65.427 -1.462 1
1 1043 . 11 1 1 A 89 89 SER N N 89 113.549 116.408 -2.859 1
1 1044 . 11 1 1 A 90 90 GLY H H 90 8.282 7.982 0.300 1
1 1045 . 11 1 1 A 90 90 GLY HA2 H 90 4.637 4.040 0.597 1
1 1046 . 11 1 1 A 90 90 GLY HA3 H 90 3.696 4.053 -0.357 1
1 1047 . 11 1 1 A 90 90 GLY CA C 90 44.399 44.076 0.323 1
1 1048 . 11 1 1 A 90 90 GLY N N 90 109.030 106.975 2.055 1
1 1049 . 11 1 1 A 91 91 PRO HA H 91 4.448 4.514 -0.066 1
1 1056 . 11 1 1 A 91 91 PRO C C 91 177.760 175.115 2.645 1
1 1057 . 11 1 1 A 91 91 PRO CA C 91 62.229 62.476 -0.247 1
1 1058 . 11 1 1 A 91 91 PRO CB C 91 32.367 33.316 -0.949 1
1 1061 . 11 1 1 A 92 92 LEU H H 92 8.373 8.300 0.073 1
1 1062 . 11 1 1 A 92 92 LEU HA H 92 4.110 4.716 -0.606 1
1 1072 . 11 1 1 A 92 92 LEU C C 92 176.841 176.381 0.460 1
1 1073 . 11 1 1 A 92 92 LEU CA C 92 55.163 53.539 1.624 1
1 1074 . 11 1 1 A 92 92 LEU CB C 92 43.188 43.466 -0.278 1
1 1078 . 11 1 1 A 92 92 LEU N N 92 121.096 121.985 -0.889 1
1 1079 . 11 1 1 A 93 93 SER H H 93 8.629 9.115 -0.486 1
1 1080 . 11 1 1 A 93 93 SER HA H 93 3.683 4.368 -0.685 1
1 1083 . 11 1 1 A 93 93 SER C C 93 171.637 173.763 -2.126 1
1 1084 . 11 1 1 A 93 93 SER CA C 93 56.900 56.984 -0.084 1
1 1085 . 11 1 1 A 93 93 SER CB C 93 62.923 62.846 0.077 1
1 1086 . 11 1 1 A 93 93 SER N N 93 116.072 121.104 -5.032 1
1 1087 . 11 1 1 A 94 94 PRO HA H 94 4.330 4.532 -0.202 1
1 1094 . 11 1 1 A 94 94 PRO C C 94 178.093 177.178 0.915 1
1 1095 . 11 1 1 A 94 94 PRO CA C 94 63.309 62.670 0.639 1
1 1096 . 11 1 1 A 94 94 PRO CB C 94 31.463 31.793 -0.330 1
1 1099 . 11 1 1 A 95 95 SER H H 95 8.722 8.383 0.339 1
1 1100 . 11 1 1 A 95 95 SER HA H 95 4.923 4.906 0.017 1
1 1103 . 11 1 1 A 95 95 SER C C 95 176.215 175.342 0.873 1
1 1104 . 11 1 1 A 95 95 SER CA C 95 58.955 58.136 0.819 1
1 1105 . 11 1 1 A 95 95 SER CB C 95 64.884 64.334 0.550 1
1 1106 . 11 1 1 A 95 95 SER N N 95 122.184 115.143 7.041 1
1 1107 . 11 1 1 A 96 96 ILE H H 96 8.915 8.471 0.444 1
1 1108 . 11 1 1 A 96 96 ILE HA H 96 4.609 4.530 0.079 1
1 1118 . 11 1 1 A 96 96 ILE C C 96 174.546 176.322 -1.776 1
1 1119 . 11 1 1 A 96 96 ILE CA C 96 59.782 61.163 -1.381 1
1 1120 . 11 1 1 A 96 96 ILE CB C 96 40.995 40.053 0.942 1
1 1124 . 11 1 1 A 96 96 ILE N N 96 115.463 118.639 -3.176 1
1 1125 . 11 1 1 A 97 97 GLN H H 97 8.292 7.838 0.454 1
1 1126 . 11 1 1 A 97 97 GLN HA H 97 5.849 3.935 1.914 1
1 1133 . 11 1 1 A 97 97 GLN C C 97 176.173 174.552 1.621 1
1 1134 . 11 1 1 A 97 97 GLN CA C 97 54.361 56.871 -2.510 1
1 1135 . 11 1 1 A 97 97 GLN CB C 97 31.102 26.346 4.756 1
1 1137 . 11 1 1 A 97 97 GLN N N 97 117.686 117.600 0.086 1
1 1139 . 11 1 1 A 98 98 SER H H 98 8.751 7.840 0.911 1
1 1140 . 11 1 1 A 98 98 SER HA H 98 4.618 4.536 0.082 1
1 1143 . 11 1 1 A 98 98 SER C C 98 172.310 173.467 -1.157 1
1 1144 . 11 1 1 A 98 98 SER CA C 98 57.019 57.832 -0.813 1
1 1145 . 11 1 1 A 98 98 SER CB C 98 64.588 63.057 1.531 1
1 1146 . 11 1 1 A 98 98 SER N N 98 115.969 113.558 2.411 1
1 1147 . 11 1 1 A 99 99 ARG H H 99 8.519 8.599 -0.080 1
1 1148 . 11 1 1 A 99 99 ARG HA H 99 5.627 4.920 0.707 1
1 1156 . 11 1 1 A 99 99 ARG C C 99 176.394 176.046 0.348 1
1 1157 . 11 1 1 A 99 99 ARG CA C 99 53.705 56.447 -2.742 1
1 1158 . 11 1 1 A 99 99 ARG CB C 99 32.853 30.790 2.063 1
1 1161 . 11 1 1 A 99 99 ARG N N 99 132.343 129.759 2.584 1
1 1163 . 11 1 1 A 100 100 THR H H 100 8.808 8.142 0.666 1
1 1164 . 11 1 1 A 100 100 THR HA H 100 4.182 4.294 -0.112 1
1 1169 . 11 1 1 A 100 100 THR C C 100 175.465 174.367 1.098 1
1 1170 . 11 1 1 A 100 100 THR CA C 100 61.701 62.483 -0.782 1
1 1171 . 11 1 1 A 100 100 THR CB C 100 69.515 69.906 -0.391 1
1 1173 . 11 1 1 A 100 100 THR N N 100 116.147 118.301 -2.154 1
1 1174 . 11 1 1 A 101 101 MET H H 101 7.254 8.495 -1.241 1
1 1175 . 11 1 1 A 101 101 MET HA H 101 4.504 4.668 -0.164 1
1 1183 . 11 1 1 A 101 101 MET C C 101 174.574 175.383 -0.809 1
1 1184 . 11 1 1 A 101 101 MET CA C 101 54.324 54.027 0.297 1
1 1185 . 11 1 1 A 101 101 MET CB C 101 32.235 32.457 -0.222 1
1 1188 . 11 1 1 A 101 101 MET N N 101 117.475 121.181 -3.706 1
1 1189 . 11 1 1 A 102 102 PRO HA H 102 4.647 4.699 -0.052 1
1 1196 . 11 1 1 A 102 102 PRO CA C 102 62.553 62.289 0.264 1
1 1197 . 11 1 1 A 102 102 PRO CB C 102 32.011 30.299 1.712 1
1 1 . 12 1 1 A 6 6 SER HA H 6 4.535 4.657 -0.122 1
1 4 . 12 1 1 A 6 6 SER CA C 6 58.104 57.165 0.939 1
1 5 . 12 1 1 A 6 6 SER CB C 6 64.201 63.958 0.243 1
1 6 . 12 1 1 A 7 7 GLY H H 7 7.998 8.160 -0.162 1
1 7 . 12 1 1 A 7 7 GLY HA2 H 7 3.978 3.971 0.007 1
1 8 . 12 1 1 A 7 7 GLY HA3 H 7 3.515 4.025 -0.510 1
1 9 . 12 1 1 A 7 7 GLY CA C 7 44.050 44.015 0.035 1
1 10 . 12 1 1 A 7 7 GLY N N 7 108.741 110.129 -1.388 1
1 11 . 12 1 1 A 8 8 PRO HA H 8 4.324 4.601 -0.277 1
1 18 . 12 1 1 A 8 8 PRO CA C 8 63.624 62.797 0.827 1
1 19 . 12 1 1 A 8 8 PRO CB C 8 32.235 32.431 -0.196 1
1 22 . 12 1 1 A 9 9 SER H H 9 8.323 8.558 -0.235 1
1 23 . 12 1 1 A 9 9 SER HA H 9 4.512 4.653 -0.141 1
1 26 . 12 1 1 A 9 9 SER C C 9 174.410 173.339 1.071 1
1 27 . 12 1 1 A 9 9 SER CA C 9 57.701 57.218 0.483 1
1 28 . 12 1 1 A 9 9 SER CB C 9 63.909 63.627 0.282 1
1 29 . 12 1 1 A 9 9 SER N N 9 115.299 117.137 -1.838 1
1 30 . 12 1 1 A 10 10 GLY H H 10 7.439 7.454 -0.015 1
1 31 . 12 1 1 A 10 10 GLY HA2 H 10 4.383 3.972 0.411 1
1 32 . 12 1 1 A 10 10 GLY HA3 H 10 3.951 4.002 -0.051 1
1 33 . 12 1 1 A 10 10 GLY C C 10 172.743 171.926 0.817 1
1 34 . 12 1 1 A 10 10 GLY CA C 10 43.924 45.655 -1.731 1
1 35 . 12 1 1 A 10 10 GLY N N 10 107.797 110.010 -2.213 1
1 36 . 12 1 1 A 11 11 PHE H H 11 7.534 7.925 -0.391 1
1 37 . 12 1 1 A 11 11 PHE HA H 11 5.519 5.323 0.196 1
1 44 . 12 1 1 A 11 11 PHE C C 11 173.822 173.792 0.030 1
1 45 . 12 1 1 A 11 11 PHE CA C 11 52.513 54.691 -2.178 1
1 46 . 12 1 1 A 11 11 PHE CB C 11 38.744 41.482 -2.738 1
1 51 . 12 1 1 A 11 11 PHE N N 11 115.246 115.967 -0.721 1
1 52 . 12 1 1 A 12 12 PRO HA H 12 4.285 4.739 -0.454 1
1 59 . 12 1 1 A 12 12 PRO C C 12 175.173 175.324 -0.151 1
1 60 . 12 1 1 A 12 12 PRO CA C 12 63.707 62.548 1.159 1
1 61 . 12 1 1 A 12 12 PRO CB C 12 32.344 33.462 -1.118 1
1 64 . 12 1 1 A 13 13 GLN H H 13 7.469 8.181 -0.712 1
1 65 . 12 1 1 A 13 13 GLN HA H 13 4.511 4.823 -0.312 1
1 72 . 12 1 1 A 13 13 GLN C C 13 175.349 175.177 0.172 1
1 73 . 12 1 1 A 13 13 GLN CA C 13 54.572 54.363 0.209 1
1 74 . 12 1 1 A 13 13 GLN CB C 13 32.848 31.950 0.898 1
1 76 . 12 1 1 A 13 13 GLN N N 13 120.555 118.432 2.123 1
1 78 . 12 1 1 A 14 14 ASN H H 14 8.978 8.890 0.088 1
1 79 . 12 1 1 A 14 14 ASN HA H 14 4.424 4.484 -0.060 1
1 84 . 12 1 1 A 14 14 ASN C C 14 174.770 173.940 0.830 1
1 85 . 12 1 1 A 14 14 ASN CA C 14 54.079 54.399 -0.320 1
1 86 . 12 1 1 A 14 14 ASN CB C 14 37.343 36.831 0.512 1
1 87 . 12 1 1 A 14 14 ASN N N 14 114.024 116.069 -2.045 1
1 89 . 12 1 1 A 15 15 LEU H H 15 8.437 7.998 0.439 1
1 90 . 12 1 1 A 15 15 LEU HA H 15 5.062 4.565 0.497 1
1 100 . 12 1 1 A 15 15 LEU C C 15 177.001 175.518 1.483 1
1 101 . 12 1 1 A 15 15 LEU CA C 15 56.667 55.105 1.562 1
1 102 . 12 1 1 A 15 15 LEU CB C 15 41.720 42.350 -0.630 1
1 106 . 12 1 1 A 15 15 LEU N N 15 121.843 121.927 -0.084 1
1 107 . 12 1 1 A 16 16 HIS H H 16 9.492 8.194 1.298 1
1 108 . 12 1 1 A 16 16 HIS HA H 16 4.987 5.196 -0.209 1
1 113 . 12 1 1 A 16 16 HIS C C 16 171.333 171.657 -0.324 1
1 114 . 12 1 1 A 16 16 HIS CA C 16 55.153 54.650 0.503 1
1 115 . 12 1 1 A 16 16 HIS CB C 16 30.515 31.914 -1.399 1
1 118 . 12 1 1 A 16 16 HIS N N 16 121.636 121.684 -0.048 1
1 119 . 12 1 1 A 17 17 VAL H H 17 8.606 8.671 -0.065 1
1 120 . 12 1 1 A 17 17 VAL HA H 17 4.663 4.503 0.160 1
1 128 . 12 1 1 A 17 17 VAL C C 17 177.740 176.168 1.572 1
1 129 . 12 1 1 A 17 17 VAL CA C 17 61.771 61.881 -0.110 1
1 130 . 12 1 1 A 17 17 VAL CB C 17 33.476 33.444 0.032 1
1 133 . 12 1 1 A 17 17 VAL N N 17 120.868 118.809 2.059 1
1 134 . 12 1 1 A 18 18 THR H H 18 9.022 8.815 0.207 1
1 135 . 12 1 1 A 18 18 THR HA H 18 4.516 4.336 0.180 1
1 140 . 12 1 1 A 18 18 THR C C 18 174.913 174.757 0.156 1
1 141 . 12 1 1 A 18 18 THR CA C 18 61.472 63.932 -2.460 1
1 142 . 12 1 1 A 18 18 THR CB C 18 68.725 69.765 -1.040 1
1 144 . 12 1 1 A 18 18 THR N N 18 117.096 122.475 -5.379 1
1 145 . 12 1 1 A 19 19 GLY H H 19 7.443 7.366 0.077 1
1 146 . 12 1 1 A 19 19 GLY HA2 H 19 4.177 4.044 0.133 1
1 147 . 12 1 1 A 19 19 GLY HA3 H 19 3.909 4.053 -0.144 1
1 148 . 12 1 1 A 19 19 GLY C C 19 170.720 172.950 -2.230 1
1 149 . 12 1 1 A 19 19 GLY CA C 19 45.877 45.636 0.241 1
1 150 . 12 1 1 A 19 19 GLY N N 19 111.594 108.095 3.499 1
1 151 . 12 1 1 A 20 20 LEU H H 20 8.400 8.484 -0.084 1
1 152 . 12 1 1 A 20 20 LEU HA H 20 4.803 4.408 0.395 1
1 162 . 12 1 1 A 20 20 LEU C C 20 175.350 176.043 -0.693 1
1 163 . 12 1 1 A 20 20 LEU CA C 20 55.557 54.496 1.061 1
1 164 . 12 1 1 A 20 20 LEU CB C 20 46.554 43.365 3.189 1
1 168 . 12 1 1 A 20 20 LEU N N 20 121.661 121.574 0.087 1
1 169 . 12 1 1 A 21 21 THR H H 21 7.720 8.356 -0.636 1
1 170 . 12 1 1 A 21 21 THR HA H 21 4.900 4.645 0.255 1
1 175 . 12 1 1 A 21 21 THR C C 21 174.986 175.078 -0.092 1
1 176 . 12 1 1 A 21 21 THR CA C 21 61.049 60.988 0.061 1
1 177 . 12 1 1 A 21 21 THR CB C 21 71.081 73.054 -1.973 1
1 179 . 12 1 1 A 21 21 THR N N 21 112.043 112.004 0.039 1
1 180 . 12 1 1 A 22 22 THR H H 22 7.782 8.587 -0.805 1
1 181 . 12 1 1 A 22 22 THR HA H 22 4.657 3.990 0.667 1
1 186 . 12 1 1 A 22 22 THR C C 22 174.110 176.304 -2.194 1
1 187 . 12 1 1 A 22 22 THR CA C 22 63.654 65.717 -2.063 1
1 188 . 12 1 1 A 22 22 THR CB C 22 69.834 68.448 1.386 1
1 190 . 12 1 1 A 22 22 THR N N 22 110.558 118.341 -7.783 1
1 191 . 12 1 1 A 23 23 SER H H 23 7.289 7.755 -0.466 1
1 192 . 12 1 1 A 23 23 SER HA H 23 4.717 4.906 -0.189 1
1 195 . 12 1 1 A 23 23 SER C C 23 173.680 174.250 -0.570 1
1 196 . 12 1 1 A 23 23 SER CA C 23 57.212 60.388 -3.176 1
1 197 . 12 1 1 A 23 23 SER CB C 23 66.012 64.415 1.597 1
1 198 . 12 1 1 A 23 23 SER N N 23 107.116 115.696 -8.580 1
1 199 . 12 1 1 A 24 24 THR H H 24 7.174 7.650 -0.476 1
1 200 . 12 1 1 A 24 24 THR HA H 24 5.377 4.765 0.612 1
1 205 . 12 1 1 A 24 24 THR C C 24 176.427 173.384 3.043 1
1 206 . 12 1 1 A 24 24 THR CA C 24 58.656 59.764 -1.108 1
1 207 . 12 1 1 A 24 24 THR CB C 24 73.018 71.655 1.363 1
1 209 . 12 1 1 A 24 24 THR N N 24 111.053 112.031 -0.978 1
1 210 . 12 1 1 A 25 25 THR H H 25 8.180 8.455 -0.275 1
1 211 . 12 1 1 A 25 25 THR HA H 25 4.608 4.903 -0.295 1
1 216 . 12 1 1 A 25 25 THR C C 25 170.451 173.412 -2.961 1
1 217 . 12 1 1 A 25 25 THR CA C 25 63.619 61.574 2.045 1
1 218 . 12 1 1 A 25 25 THR CB C 25 75.464 71.582 3.882 1
1 220 . 12 1 1 A 25 25 THR N N 25 117.664 116.022 1.642 1
1 221 . 12 1 1 A 26 26 GLU H H 26 9.197 8.744 0.453 1
1 222 . 12 1 1 A 26 26 GLU HA H 26 4.706 4.522 0.184 1
1 227 . 12 1 1 A 26 26 GLU C C 26 174.626 175.778 -1.152 1
1 228 . 12 1 1 A 26 26 GLU CA C 26 55.751 57.027 -1.276 1
1 229 . 12 1 1 A 26 26 GLU CB C 26 30.917 30.843 0.074 1
1 231 . 12 1 1 A 26 26 GLU N N 26 130.706 126.876 3.830 1
1 232 . 12 1 1 A 27 27 LEU H H 27 9.001 8.675 0.326 1
1 233 . 12 1 1 A 27 27 LEU HA H 27 5.273 5.340 -0.067 1
1 243 . 12 1 1 A 27 27 LEU C C 27 176.770 175.780 0.990 1
1 244 . 12 1 1 A 27 27 LEU CA C 27 53.165 53.632 -0.467 1
1 245 . 12 1 1 A 27 27 LEU CB C 27 47.693 47.150 0.543 1
1 249 . 12 1 1 A 27 27 LEU N N 27 124.564 121.374 3.190 1
1 250 . 12 1 1 A 28 28 ALA H H 28 8.640 8.322 0.318 1
1 251 . 12 1 1 A 28 28 ALA HA H 28 4.577 4.684 -0.107 1
1 255 . 12 1 1 A 28 28 ALA C C 28 174.523 175.182 -0.659 1
1 256 . 12 1 1 A 28 28 ALA CA C 28 51.404 51.987 -0.583 1
1 257 . 12 1 1 A 28 28 ALA CB C 28 23.304 20.753 2.551 1
1 258 . 12 1 1 A 28 28 ALA N N 28 122.531 121.317 1.214 1
1 259 . 12 1 1 A 29 29 TRP H H 29 7.581 8.056 -0.475 1
1 260 . 12 1 1 A 29 29 TRP HA H 29 4.868 5.592 -0.724 1
1 269 . 12 1 1 A 29 29 TRP C C 29 172.280 172.993 -0.713 1
1 270 . 12 1 1 A 29 29 TRP CA C 29 56.948 54.395 2.553 1
1 271 . 12 1 1 A 29 29 TRP CB C 29 29.667 32.097 -2.430 1
1 277 . 12 1 1 A 29 29 TRP N N 29 115.551 120.878 -5.327 1
1 279 . 12 1 1 A 30 30 ASP H H 30 9.276 9.527 -0.251 1
1 280 . 12 1 1 A 30 30 ASP HA H 30 5.443 5.093 0.350 1
1 283 . 12 1 1 A 30 30 ASP C C 30 173.846 173.565 0.281 1
1 284 . 12 1 1 A 30 30 ASP CA C 30 51.562 50.936 0.626 1
1 285 . 12 1 1 A 30 30 ASP CB C 30 42.533 42.585 -0.052 1
1 286 . 12 1 1 A 30 30 ASP N N 30 117.265 119.832 -2.567 1
1 287 . 12 1 1 A 31 31 PRO HA H 31 5.105 4.878 0.227 1
1 294 . 12 1 1 A 31 31 PRO CA C 31 61.905 61.483 0.422 1
1 295 . 12 1 1 A 31 31 PRO CB C 31 29.864 31.532 -1.668 1
1 298 . 12 1 1 A 32 32 PRO HA H 32 4.580 4.826 -0.246 1
1 305 . 12 1 1 A 32 32 PRO CA C 32 62.036 62.832 -0.796 1
1 306 . 12 1 1 A 32 32 PRO CB C 32 30.840 31.925 -1.085 1
1 309 . 12 1 1 A 33 33 VAL H H 33 8.755 7.862 0.893 1
1 310 . 12 1 1 A 33 33 VAL HA H 33 3.994 4.218 -0.224 1
1 318 . 12 1 1 A 33 33 VAL CA C 33 62.553 62.233 0.320 1
1 319 . 12 1 1 A 33 33 VAL CB C 33 31.763 32.282 -0.519 1
1 322 . 12 1 1 A 33 33 VAL N N 33 120.113 119.760 0.353 1
1 323 . 12 1 1 A 34 34 LEU H H 34 8.469 8.776 -0.307 1
1 324 . 12 1 1 A 34 34 LEU HA H 34 3.768 3.935 -0.167 1
1 334 . 12 1 1 A 34 34 LEU CA C 34 58.809 58.168 0.641 1
1 335 . 12 1 1 A 34 34 LEU CB C 34 42.426 41.855 0.571 1
1 339 . 12 1 1 A 34 34 LEU N N 34 125.095 125.198 -0.103 1
1 340 . 12 1 1 A 35 35 ALA H H 35 8.586 8.388 0.198 1
1 341 . 12 1 1 A 35 35 ALA HA H 35 4.171 4.026 0.145 1
1 345 . 12 1 1 A 35 35 ALA CA C 35 53.957 55.462 -1.505 1
1 346 . 12 1 1 A 35 35 ALA CB C 35 19.056 18.807 0.249 1
1 347 . 12 1 1 A 35 35 ALA N N 35 119.010 121.784 -2.774 1
1 348 . 12 1 1 A 36 36 GLU H H 36 8.070 8.363 -0.293 1
1 349 . 12 1 1 A 36 36 GLU HA H 36 4.305 4.056 0.249 1
1 354 . 12 1 1 A 36 36 GLU CA C 36 55.527 59.457 -3.930 1
1 355 . 12 1 1 A 36 36 GLU CB C 36 29.845 29.287 0.558 1
1 357 . 12 1 1 A 36 36 GLU N N 36 115.604 116.386 -0.782 1
1 358 . 12 1 1 A 37 37 ARG HA H 37 3.758 4.388 -0.630 1
1 365 . 12 1 1 A 37 37 ARG CA C 37 60.050 55.958 4.092 1
1 366 . 12 1 1 A 37 37 ARG CB C 37 30.804 29.368 1.436 1
1 369 . 12 1 1 A 37 37 ARG N N 37 122.198 116.939 5.259 1
1 370 . 12 1 1 A 38 38 ASN H H 38 8.093 8.178 -0.085 1
1 371 . 12 1 1 A 38 38 ASN HA H 38 4.291 4.344 -0.053 1
1 376 . 12 1 1 A 38 38 ASN C C 38 174.619 176.590 -1.971 1
1 377 . 12 1 1 A 38 38 ASN CA C 38 53.287 56.518 -3.231 1
1 378 . 12 1 1 A 38 38 ASN CB C 38 37.482 38.179 -0.697 1
1 379 . 12 1 1 A 38 38 ASN N N 38 109.319 123.361 -14.042 1
1 381 . 12 1 1 A 39 39 GLY H H 39 7.575 7.915 -0.340 1
1 382 . 12 1 1 A 39 39 GLY HA2 H 39 4.320 4.062 0.258 1
1 383 . 12 1 1 A 39 39 GLY HA3 H 39 3.697 4.064 -0.367 1
1 384 . 12 1 1 A 39 39 GLY C C 39 172.138 173.800 -1.662 1
1 385 . 12 1 1 A 39 39 GLY CA C 39 43.766 44.449 -0.683 1
1 386 . 12 1 1 A 39 39 GLY N N 39 105.607 105.932 -0.325 1
1 387 . 12 1 1 A 40 40 ARG H H 40 8.180 8.529 -0.349 1
1 388 . 12 1 1 A 40 40 ARG HA H 40 4.333 4.536 -0.203 1
1 395 . 12 1 1 A 40 40 ARG C C 40 176.395 175.455 0.940 1
1 396 . 12 1 1 A 40 40 ARG CA C 40 55.453 55.536 -0.083 1
1 397 . 12 1 1 A 40 40 ARG CB C 40 30.999 32.026 -1.027 1
1 400 . 12 1 1 A 40 40 ARG N N 40 119.566 119.999 -0.433 1
1 401 . 12 1 1 A 41 41 ILE H H 41 8.991 8.449 0.542 1
1 402 . 12 1 1 A 41 41 ILE HA H 41 4.256 4.982 -0.726 1
1 412 . 12 1 1 A 41 41 ILE CA C 41 59.279 59.898 -0.619 1
1 413 . 12 1 1 A 41 41 ILE CB C 41 35.329 40.802 -5.473 1
1 417 . 12 1 1 A 41 41 ILE N N 41 127.226 120.057 7.169 1
1 418 . 12 1 1 A 42 42 ILE H H 42 8.721 8.788 -0.067 1
1 419 . 12 1 1 A 42 42 ILE HA H 42 4.475 4.532 -0.057 1
1 429 . 12 1 1 A 42 42 ILE C C 42 175.959 175.996 -0.037 1
1 430 . 12 1 1 A 42 42 ILE CA C 42 61.208 61.165 0.043 1
1 431 . 12 1 1 A 42 42 ILE CB C 42 39.771 39.815 -0.044 1
1 435 . 12 1 1 A 42 42 ILE N N 42 122.018 120.578 1.440 1
1 436 . 12 1 1 A 43 43 SER H H 43 7.425 7.688 -0.263 1
1 437 . 12 1 1 A 43 43 SER HA H 43 4.555 4.923 -0.368 1
1 440 . 12 1 1 A 43 43 SER C C 43 170.232 171.473 -1.241 1
1 441 . 12 1 1 A 43 43 SER CA C 43 58.234 57.594 0.640 1
1 442 . 12 1 1 A 43 43 SER CB C 43 64.287 65.526 -1.239 1
1 443 . 12 1 1 A 43 43 SER N N 43 113.043 113.495 -0.452 1
1 444 . 12 1 1 A 44 44 TYR H H 44 9.297 8.375 0.922 1
1 445 . 12 1 1 A 44 44 TYR HA H 44 5.741 5.781 -0.040 1
1 452 . 12 1 1 A 44 44 TYR C C 44 175.735 175.312 0.423 1
1 453 . 12 1 1 A 44 44 TYR CA C 44 57.137 56.381 0.756 1
1 454 . 12 1 1 A 44 44 TYR CB C 44 42.410 43.315 -0.905 1
1 459 . 12 1 1 A 44 44 TYR N N 44 116.157 119.005 -2.848 1
1 460 . 12 1 1 A 45 45 THR H H 45 8.778 8.714 0.064 1
1 461 . 12 1 1 A 45 45 THR HA H 45 5.094 5.114 -0.020 1
1 466 . 12 1 1 A 45 45 THR C C 45 173.026 173.725 -0.699 1
1 467 . 12 1 1 A 45 45 THR CA C 45 61.853 61.481 0.372 1
1 468 . 12 1 1 A 45 45 THR CB C 45 71.072 70.893 0.179 1
1 470 . 12 1 1 A 45 45 THR N N 45 114.801 116.074 -1.273 1
1 471 . 12 1 1 A 46 46 VAL H H 46 9.145 8.567 0.578 1
1 472 . 12 1 1 A 46 46 VAL HA H 46 4.244 4.497 -0.253 1
1 480 . 12 1 1 A 46 46 VAL C C 46 174.278 175.465 -1.187 1
1 481 . 12 1 1 A 46 46 VAL CA C 46 61.137 62.574 -1.437 1
1 482 . 12 1 1 A 46 46 VAL CB C 46 32.999 30.907 2.092 1
1 485 . 12 1 1 A 46 46 VAL N N 46 127.180 127.676 -0.496 1
1 486 . 12 1 1 A 47 47 VAL H H 47 9.041 8.523 0.518 1
1 487 . 12 1 1 A 47 47 VAL HA H 47 5.004 4.582 0.422 1
1 495 . 12 1 1 A 47 47 VAL C C 47 175.023 175.643 -0.620 1
1 496 . 12 1 1 A 47 47 VAL CA C 47 60.996 61.529 -0.533 1
1 497 . 12 1 1 A 47 47 VAL CB C 47 33.488 32.090 1.398 1
1 500 . 12 1 1 A 47 47 VAL N N 47 128.169 128.568 -0.399 1
1 501 . 12 1 1 A 48 48 PHE H H 48 9.169 8.832 0.337 1
1 502 . 12 1 1 A 48 48 PHE HA H 48 6.209 6.175 0.034 1
1 510 . 12 1 1 A 48 48 PHE C C 48 173.210 173.490 -0.280 1
1 511 . 12 1 1 A 48 48 PHE CA C 48 54.702 54.987 -0.285 1
1 512 . 12 1 1 A 48 48 PHE CB C 48 43.316 42.758 0.558 1
1 518 . 12 1 1 A 48 48 PHE N N 48 123.753 124.058 -0.305 1
1 519 . 12 1 1 A 49 49 ARG H H 49 8.693 8.642 0.051 1
1 520 . 12 1 1 A 49 49 ARG HA H 49 4.817 4.738 0.079 1
1 528 . 12 1 1 A 49 49 ARG C C 49 175.280 173.915 1.365 1
1 529 . 12 1 1 A 49 49 ARG CA C 49 54.801 55.372 -0.571 1
1 530 . 12 1 1 A 49 49 ARG CB C 49 35.242 34.116 1.126 1
1 533 . 12 1 1 A 49 49 ARG N N 49 118.793 120.198 -1.405 1
1 535 . 12 1 1 A 50 50 ASP H H 50 8.820 8.798 0.022 1
1 536 . 12 1 1 A 50 50 ASP HA H 50 4.029 4.477 -0.448 1
1 539 . 12 1 1 A 50 50 ASP C C 50 178.592 176.879 1.713 1
1 540 . 12 1 1 A 50 50 ASP CA C 50 53.498 53.637 -0.139 1
1 541 . 12 1 1 A 50 50 ASP CB C 50 40.543 40.997 -0.454 1
1 542 . 12 1 1 A 50 50 ASP N N 50 128.720 125.403 3.317 1
1 543 . 12 1 1 A 51 51 ILE H H 51 8.315 8.411 -0.096 1
1 544 . 12 1 1 A 51 51 ILE HA H 51 3.892 3.783 0.109 1
1 554 . 12 1 1 A 51 51 ILE C C 51 176.905 176.569 0.336 1
1 555 . 12 1 1 A 51 51 ILE CA C 51 64.569 63.232 1.337 1
1 556 . 12 1 1 A 51 51 ILE CB C 51 38.126 37.756 0.370 1
1 560 . 12 1 1 A 51 51 ILE N N 51 124.642 122.815 1.827 1
1 561 . 12 1 1 A 52 52 ASN H H 52 8.677 8.084 0.593 1
1 562 . 12 1 1 A 52 52 ASN HA H 52 4.760 4.770 -0.010 1
1 567 . 12 1 1 A 52 52 ASN C C 52 174.645 175.384 -0.739 1
1 568 . 12 1 1 A 52 52 ASN CA C 52 53.851 53.938 -0.087 1
1 569 . 12 1 1 A 52 52 ASN CB C 52 39.032 39.603 -0.571 1
1 570 . 12 1 1 A 52 52 ASN N N 52 119.201 118.657 0.544 1
1 572 . 12 1 1 A 53 53 SER H H 53 8.409 8.347 0.062 1
1 573 . 12 1 1 A 53 53 SER HA H 53 4.663 4.840 -0.177 1
1 576 . 12 1 1 A 53 53 SER C C 53 173.861 173.820 0.041 1
1 577 . 12 1 1 A 53 53 SER CA C 53 56.702 57.377 -0.675 1
1 578 . 12 1 1 A 53 53 SER CB C 53 65.730 66.273 -0.543 1
1 579 . 12 1 1 A 53 53 SER N N 53 116.494 114.415 2.079 1
1 580 . 12 1 1 A 54 54 GLN H H 54 8.489 8.441 0.048 1
1 581 . 12 1 1 A 54 54 GLN HA H 54 4.329 4.569 -0.240 1
1 588 . 12 1 1 A 54 54 GLN C C 54 175.789 175.125 0.664 1
1 589 . 12 1 1 A 54 54 GLN CA C 54 55.857 55.160 0.697 1
1 590 . 12 1 1 A 54 54 GLN CB C 54 28.847 28.971 -0.124 1
1 592 . 12 1 1 A 54 54 GLN N N 54 119.700 119.774 -0.074 1
1 594 . 12 1 1 A 55 55 GLN H H 55 8.108 7.698 0.410 1
1 595 . 12 1 1 A 55 55 GLN HA H 55 4.269 4.602 -0.333 1
1 602 . 12 1 1 A 55 55 GLN C C 55 174.076 174.622 -0.546 1
1 603 . 12 1 1 A 55 55 GLN CA C 55 55.689 54.853 0.836 1
1 604 . 12 1 1 A 55 55 GLN CB C 55 29.352 29.602 -0.250 1
1 606 . 12 1 1 A 55 55 GLN N N 55 120.355 121.750 -1.395 1
1 608 . 12 1 1 A 56 56 GLU H H 56 8.603 8.876 -0.273 1
1 609 . 12 1 1 A 56 56 GLU HA H 56 4.372 4.627 -0.255 1
1 614 . 12 1 1 A 56 56 GLU C C 56 175.058 175.507 -0.449 1
1 615 . 12 1 1 A 56 56 GLU CA C 56 55.594 56.516 -0.922 1
1 616 . 12 1 1 A 56 56 GLU CB C 56 31.640 30.661 0.979 1
1 618 . 12 1 1 A 56 56 GLU N N 56 126.250 128.732 -2.482 1
1 619 . 12 1 1 A 57 57 LEU H H 57 8.520 8.101 0.419 1
1 620 . 12 1 1 A 57 57 LEU HA H 57 4.458 4.769 -0.311 1
1 630 . 12 1 1 A 57 57 LEU C C 57 174.850 174.626 0.224 1
1 631 . 12 1 1 A 57 57 LEU CA C 57 53.780 53.109 0.671 1
1 632 . 12 1 1 A 57 57 LEU CB C 57 43.903 46.412 -2.509 1
1 636 . 12 1 1 A 57 57 LEU N N 57 127.205 125.677 1.528 1
1 637 . 12 1 1 A 58 58 GLN H H 58 7.992 8.623 -0.631 1
1 638 . 12 1 1 A 58 58 GLN HA H 58 5.865 5.423 0.442 1
1 645 . 12 1 1 A 58 58 GLN C C 58 175.948 173.399 2.549 1
1 646 . 12 1 1 A 58 58 GLN CA C 58 53.944 54.425 -0.481 1
1 647 . 12 1 1 A 58 58 GLN CB C 58 32.786 32.577 0.209 1
1 649 . 12 1 1 A 58 58 GLN N N 58 113.562 118.033 -4.471 1
1 651 . 12 1 1 A 59 59 ASN H H 59 9.073 9.161 -0.088 1
1 652 . 12 1 1 A 59 59 ASN HA H 59 5.068 5.513 -0.445 1
1 657 . 12 1 1 A 59 59 ASN C C 59 172.790 174.129 -1.339 1
1 658 . 12 1 1 A 59 59 ASN CA C 59 53.023 51.601 1.422 1
1 659 . 12 1 1 A 59 59 ASN CB C 59 45.541 42.740 2.801 1
1 660 . 12 1 1 A 59 59 ASN N N 59 119.984 117.747 2.237 1
1 662 . 12 1 1 A 60 60 ILE H H 60 8.491 8.452 0.039 1
1 663 . 12 1 1 A 60 60 ILE HA H 60 5.147 5.077 0.070 1
1 673 . 12 1 1 A 60 60 ILE C C 60 175.088 174.506 0.582 1
1 674 . 12 1 1 A 60 60 ILE CA C 60 59.853 60.192 -0.339 1
1 675 . 12 1 1 A 60 60 ILE CB C 60 40.891 41.102 -0.211 1
1 679 . 12 1 1 A 60 60 ILE N N 60 119.480 120.466 -0.986 1
1 680 . 12 1 1 A 61 61 THR H H 61 8.755 8.349 0.406 1
1 681 . 12 1 1 A 61 61 THR HA H 61 4.976 5.166 -0.190 1
1 686 . 12 1 1 A 61 61 THR C C 61 172.097 173.922 -1.825 1
1 687 . 12 1 1 A 61 61 THR CA C 61 59.905 60.152 -0.247 1
1 688 . 12 1 1 A 61 61 THR CB C 61 69.505 71.546 -2.041 1
1 690 . 12 1 1 A 61 61 THR N N 61 118.083 120.254 -2.171 1
1 691 . 12 1 1 A 62 62 THR H H 62 8.325 8.576 -0.251 1
1 692 . 12 1 1 A 62 62 THR HA H 62 4.641 4.550 0.091 1
1 697 . 12 1 1 A 62 62 THR C C 62 174.386 173.394 0.992 1
1 698 . 12 1 1 A 62 62 THR CA C 62 62.440 62.142 0.298 1
1 699 . 12 1 1 A 62 62 THR CB C 62 69.355 68.753 0.602 1
1 701 . 12 1 1 A 62 62 THR N N 62 115.077 117.193 -2.116 1
1 702 . 12 1 1 A 63 63 ASP H H 63 8.611 7.670 0.941 1
1 703 . 12 1 1 A 63 63 ASP HA H 63 4.962 5.084 -0.122 1
1 706 . 12 1 1 A 63 63 ASP C C 63 172.906 176.609 -3.703 1
1 707 . 12 1 1 A 63 63 ASP CA C 63 52.981 53.079 -0.098 1
1 708 . 12 1 1 A 63 63 ASP CB C 63 43.465 44.496 -1.031 1
1 709 . 12 1 1 A 63 63 ASP N N 63 125.713 121.307 4.406 1
1 710 . 12 1 1 A 64 64 THR H H 64 7.925 8.360 -0.435 1
1 711 . 12 1 1 A 64 64 THR HA H 64 3.088 3.742 -0.654 1
1 716 . 12 1 1 A 64 64 THR C C 64 172.176 171.920 0.256 1
1 717 . 12 1 1 A 64 64 THR CA C 64 59.078 61.451 -2.373 1
1 718 . 12 1 1 A 64 64 THR CB C 64 66.137 68.196 -2.059 1
1 720 . 12 1 1 A 64 64 THR N N 64 104.287 112.672 -8.385 1
1 721 . 12 1 1 A 65 65 ARG H H 65 6.387 7.355 -0.968 1
1 722 . 12 1 1 A 65 65 ARG HA H 65 4.221 3.814 0.407 1
1 729 . 12 1 1 A 65 65 ARG C C 65 174.862 174.306 0.556 1
1 730 . 12 1 1 A 65 65 ARG CA C 65 54.132 53.468 0.664 1
1 731 . 12 1 1 A 65 65 ARG CB C 65 32.928 33.919 -0.991 1
1 734 . 12 1 1 A 65 65 ARG N N 65 115.062 118.596 -3.534 1
1 735 . 12 1 1 A 66 66 PHE H H 66 8.177 8.956 -0.779 1
1 736 . 12 1 1 A 66 66 PHE HA H 66 4.373 4.898 -0.525 1
1 744 . 12 1 1 A 66 66 PHE C C 66 172.804 173.182 -0.378 1
1 745 . 12 1 1 A 66 66 PHE CA C 66 59.536 58.212 1.324 1
1 746 . 12 1 1 A 66 66 PHE CB C 66 44.469 41.605 2.864 1
1 752 . 12 1 1 A 66 66 PHE N N 66 119.991 119.473 0.518 1
1 753 . 12 1 1 A 67 67 THR H H 67 7.332 7.418 -0.086 1
1 754 . 12 1 1 A 67 67 THR HA H 67 4.628 5.150 -0.522 1
1 759 . 12 1 1 A 67 67 THR C C 67 172.910 173.753 -0.843 1
1 760 . 12 1 1 A 67 67 THR CA C 67 61.261 61.116 0.145 1
1 761 . 12 1 1 A 67 67 THR CB C 67 69.260 71.427 -2.167 1
1 763 . 12 1 1 A 67 67 THR N N 67 123.294 117.221 6.073 1
1 764 . 12 1 1 A 68 68 LEU H H 68 8.776 9.154 -0.378 1
1 765 . 12 1 1 A 68 68 LEU HA H 68 4.192 4.309 -0.117 1
1 775 . 12 1 1 A 68 68 LEU C C 68 176.337 175.935 0.402 1
1 776 . 12 1 1 A 68 68 LEU CA C 68 54.394 54.736 -0.342 1
1 777 . 12 1 1 A 68 68 LEU CB C 68 42.394 42.304 0.090 1
1 781 . 12 1 1 A 68 68 LEU N N 68 126.969 127.890 -0.921 1
1 782 . 12 1 1 A 69 69 THR H H 69 7.921 8.249 -0.328 1
1 783 . 12 1 1 A 69 69 THR HA H 69 4.814 4.666 0.148 1
1 788 . 12 1 1 A 69 69 THR C C 69 173.856 173.641 0.215 1
1 789 . 12 1 1 A 69 69 THR CA C 69 59.694 60.572 -0.878 1
1 790 . 12 1 1 A 69 69 THR CB C 69 71.829 71.352 0.477 1
1 792 . 12 1 1 A 69 69 THR N N 69 111.246 111.622 -0.376 1
1 793 . 12 1 1 A 70 70 GLY H H 70 8.894 8.621 0.273 1
1 794 . 12 1 1 A 70 70 GLY HA2 H 70 3.930 3.823 0.107 1
1 795 . 12 1 1 A 70 70 GLY HA3 H 70 3.809 3.843 -0.034 1
1 796 . 12 1 1 A 70 70 GLY C C 70 175.589 174.730 0.859 1
1 797 . 12 1 1 A 70 70 GLY CA C 70 46.178 46.721 -0.543 1
1 798 . 12 1 1 A 70 70 GLY N N 70 107.415 112.643 -5.228 1
1 799 . 12 1 1 A 71 71 LEU H H 71 8.341 7.903 0.438 1
1 800 . 12 1 1 A 71 71 LEU HA H 71 4.195 4.714 -0.519 1
1 810 . 12 1 1 A 71 71 LEU C C 71 175.422 175.304 0.118 1
1 811 . 12 1 1 A 71 71 LEU CA C 71 53.429 53.343 0.086 1
1 812 . 12 1 1 A 71 71 LEU CB C 71 40.650 43.341 -2.691 1
1 816 . 12 1 1 A 71 71 LEU N N 71 118.621 120.445 -1.824 1
1 817 . 12 1 1 A 72 72 LYS H H 72 8.298 9.254 -0.956 1
1 818 . 12 1 1 A 72 72 LYS HA H 72 4.631 4.609 0.022 1
1 827 . 12 1 1 A 72 72 LYS C C 72 174.599 175.535 -0.936 1
1 828 . 12 1 1 A 72 72 LYS CA C 72 53.851 54.124 -0.273 1
1 829 . 12 1 1 A 72 72 LYS CB C 72 33.619 33.878 -0.259 1
1 833 . 12 1 1 A 72 72 LYS N N 72 121.340 122.463 -1.123 1
1 834 . 12 1 1 A 73 73 PRO HA H 73 5.086 4.732 0.354 1
1 841 . 12 1 1 A 73 73 PRO C C 73 178.198 177.293 0.905 1
1 842 . 12 1 1 A 73 73 PRO CA C 73 62.897 63.414 -0.517 1
1 843 . 12 1 1 A 73 73 PRO CB C 73 33.198 32.196 1.002 1
1 846 . 12 1 1 A 74 74 ASP H H 74 7.537 9.040 -1.503 1
1 847 . 12 1 1 A 74 74 ASP HA H 74 4.290 4.272 0.018 1
1 850 . 12 1 1 A 74 74 ASP C C 74 174.390 174.710 -0.320 1
1 851 . 12 1 1 A 74 74 ASP CA C 74 54.343 55.121 -0.778 1
1 852 . 12 1 1 A 74 74 ASP CB C 74 41.393 39.712 1.681 1
1 853 . 12 1 1 A 74 74 ASP N N 74 126.834 121.413 5.421 1
1 854 . 12 1 1 A 75 75 THR H H 75 8.197 7.250 0.947 1
1 855 . 12 1 1 A 75 75 THR HA H 75 4.316 4.879 -0.563 1
1 860 . 12 1 1 A 75 75 THR C C 75 172.076 173.448 -1.372 1
1 861 . 12 1 1 A 75 75 THR CA C 75 63.087 61.255 1.832 1
1 862 . 12 1 1 A 75 75 THR CB C 75 71.822 72.413 -0.591 1
1 864 . 12 1 1 A 75 75 THR N N 75 113.905 112.320 1.585 1
1 865 . 12 1 1 A 76 76 THR H H 76 8.606 8.765 -0.159 1
1 866 . 12 1 1 A 76 76 THR HA H 76 4.641 4.444 0.197 1
1 871 . 12 1 1 A 76 76 THR C C 76 172.308 174.074 -1.766 1
1 872 . 12 1 1 A 76 76 THR CA C 76 63.197 63.325 -0.128 1
1 873 . 12 1 1 A 76 76 THR CB C 76 68.333 69.357 -1.024 1
1 875 . 12 1 1 A 76 76 THR N N 76 124.170 121.390 2.780 1
1 876 . 12 1 1 A 77 77 TYR H H 77 9.230 8.895 0.335 1
1 877 . 12 1 1 A 77 77 TYR HA H 77 5.084 5.064 0.020 1
1 884 . 12 1 1 A 77 77 TYR C C 77 174.065 174.389 -0.324 1
1 885 . 12 1 1 A 77 77 TYR CA C 77 57.443 56.416 1.027 1
1 886 . 12 1 1 A 77 77 TYR CB C 77 41.115 40.137 0.978 1
1 891 . 12 1 1 A 77 77 TYR N N 77 125.729 125.518 0.211 1
1 892 . 12 1 1 A 78 78 ASP H H 78 9.222 9.428 -0.206 1
1 893 . 12 1 1 A 78 78 ASP HA H 78 5.288 4.769 0.519 1
1 896 . 12 1 1 A 78 78 ASP C C 78 176.268 174.803 1.465 1
1 897 . 12 1 1 A 78 78 ASP CA C 78 53.565 54.406 -0.841 1
1 898 . 12 1 1 A 78 78 ASP CB C 78 44.874 40.971 3.903 1
1 899 . 12 1 1 A 78 78 ASP N N 78 124.016 125.714 -1.698 1
1 900 . 12 1 1 A 79 79 ILE H H 79 9.210 8.936 0.274 1
1 901 . 12 1 1 A 79 79 ILE HA H 79 5.027 5.330 -0.303 1
1 911 . 12 1 1 A 79 79 ILE C C 79 172.968 174.816 -1.848 1
1 912 . 12 1 1 A 79 79 ILE CA C 79 61.102 60.048 1.054 1
1 913 . 12 1 1 A 79 79 ILE CB C 79 41.830 40.219 1.611 1
1 917 . 12 1 1 A 79 79 ILE N N 79 127.527 127.439 0.088 1
1 918 . 12 1 1 A 80 80 LYS H H 80 8.930 9.363 -0.433 1
1 919 . 12 1 1 A 80 80 LYS HA H 80 4.282 5.128 -0.846 1
1 928 . 12 1 1 A 80 80 LYS C C 80 173.716 174.314 -0.598 1
1 929 . 12 1 1 A 80 80 LYS CA C 80 54.749 54.011 0.738 1
1 930 . 12 1 1 A 80 80 LYS CB C 80 37.864 36.799 1.065 1
1 934 . 12 1 1 A 80 80 LYS N N 80 122.620 124.660 -2.040 1
1 935 . 12 1 1 A 81 81 VAL H H 81 8.070 8.830 -0.760 1
1 936 . 12 1 1 A 81 81 VAL HA H 81 5.365 4.777 0.588 1
1 944 . 12 1 1 A 81 81 VAL C C 81 174.099 173.600 0.499 1
1 945 . 12 1 1 A 81 81 VAL CA C 81 59.228 59.528 -0.300 1
1 946 . 12 1 1 A 81 81 VAL CB C 81 36.108 35.002 1.106 1
1 949 . 12 1 1 A 81 81 VAL N N 81 115.045 119.151 -4.106 1
1 950 . 12 1 1 A 82 82 ARG H H 82 8.733 8.884 -0.151 1
1 951 . 12 1 1 A 82 82 ARG HA H 82 4.984 5.117 -0.133 1
1 959 . 12 1 1 A 82 82 ARG C C 82 172.874 174.637 -1.763 1
1 960 . 12 1 1 A 82 82 ARG CA C 82 53.552 54.863 -1.311 1
1 961 . 12 1 1 A 82 82 ARG CB C 82 34.521 33.962 0.559 1
1 964 . 12 1 1 A 82 82 ARG N N 82 122.032 123.307 -1.275 1
1 966 . 12 1 1 A 83 83 ALA H H 83 9.221 8.595 0.626 1
1 967 . 12 1 1 A 83 83 ALA HA H 83 5.132 3.909 1.223 1
1 971 . 12 1 1 A 83 83 ALA C C 83 174.998 176.981 -1.983 1
1 972 . 12 1 1 A 83 83 ALA CA C 83 50.383 51.823 -1.440 1
1 973 . 12 1 1 A 83 83 ALA CB C 83 23.472 19.694 3.778 1
1 974 . 12 1 1 A 83 83 ALA N N 83 124.044 125.096 -1.052 1
1 975 . 12 1 1 A 84 84 TRP H H 84 8.387 8.622 -0.235 1
1 976 . 12 1 1 A 84 84 TRP HA H 84 5.020 5.240 -0.220 1
1 985 . 12 1 1 A 84 84 TRP C C 84 177.430 175.284 2.146 1
1 986 . 12 1 1 A 84 84 TRP CA C 84 56.807 56.389 0.418 1
1 987 . 12 1 1 A 84 84 TRP CB C 84 31.235 33.338 -2.103 1
1 993 . 12 1 1 A 84 84 TRP N N 84 117.779 120.275 -2.496 1
1 995 . 12 1 1 A 85 85 THR H H 85 8.698 8.693 0.005 1
1 996 . 12 1 1 A 85 85 THR HA H 85 5.190 5.174 0.016 1
1 1001 . 12 1 1 A 85 85 THR C C 85 176.429 175.598 0.831 1
1 1002 . 12 1 1 A 85 85 THR CA C 85 59.958 59.953 0.005 1
1 1003 . 12 1 1 A 85 85 THR CB C 85 72.646 71.644 1.002 1
1 1005 . 12 1 1 A 85 85 THR N N 85 111.404 113.084 -1.680 1
1 1006 . 12 1 1 A 86 86 SER H H 86 9.765 9.200 0.565 1
1 1007 . 12 1 1 A 86 86 SER HA H 86 4.242 4.187 0.055 1
1 1010 . 12 1 1 A 86 86 SER C C 86 174.834 176.339 -1.505 1
1 1011 . 12 1 1 A 86 86 SER CA C 86 61.014 61.076 -0.062 1
1 1012 . 12 1 1 A 86 86 SER CB C 86 62.807 62.825 -0.018 1
1 1013 . 12 1 1 A 86 86 SER N N 86 115.745 117.770 -2.025 1
1 1014 . 12 1 1 A 87 87 LYS H H 87 7.947 7.786 0.161 1
1 1015 . 12 1 1 A 87 87 LYS HA H 87 4.426 4.273 0.153 1
1 1024 . 12 1 1 A 87 87 LYS C C 87 176.373 177.160 -0.787 1
1 1025 . 12 1 1 A 87 87 LYS CA C 87 55.857 58.534 -2.677 1
1 1026 . 12 1 1 A 87 87 LYS CB C 87 33.386 33.077 0.309 1
1 1030 . 12 1 1 A 87 87 LYS N N 87 118.254 119.047 -0.793 1
1 1031 . 12 1 1 A 88 88 GLY H H 88 7.400 6.997 0.403 1
1 1032 . 12 1 1 A 88 88 GLY HA2 H 88 4.446 4.125 0.321 1
1 1033 . 12 1 1 A 88 88 GLY HA3 H 88 3.990 4.274 -0.284 1
1 1034 . 12 1 1 A 88 88 GLY C C 88 171.366 172.044 -0.678 1
1 1035 . 12 1 1 A 88 88 GLY CA C 88 45.006 46.211 -1.205 1
1 1036 . 12 1 1 A 88 88 GLY N N 88 106.086 104.222 1.864 1
1 1037 . 12 1 1 A 89 89 SER H H 89 8.048 8.501 -0.453 1
1 1038 . 12 1 1 A 89 89 SER HA H 89 3.899 4.591 -0.692 1
1 1041 . 12 1 1 A 89 89 SER CA C 89 56.522 55.773 0.749 1
1 1042 . 12 1 1 A 89 89 SER CB C 89 63.965 65.562 -1.597 1
1 1043 . 12 1 1 A 89 89 SER N N 89 113.549 116.275 -2.726 1
1 1044 . 12 1 1 A 90 90 GLY H H 90 8.282 7.835 0.447 1
1 1045 . 12 1 1 A 90 90 GLY HA2 H 90 4.637 4.034 0.603 1
1 1046 . 12 1 1 A 90 90 GLY HA3 H 90 3.696 4.044 -0.348 1
1 1047 . 12 1 1 A 90 90 GLY CA C 90 44.399 44.294 0.105 1
1 1048 . 12 1 1 A 90 90 GLY N N 90 109.030 106.643 2.387 1
1 1049 . 12 1 1 A 91 91 PRO HA H 91 4.448 4.578 -0.130 1
1 1056 . 12 1 1 A 91 91 PRO C C 91 177.760 175.121 2.639 1
1 1057 . 12 1 1 A 91 91 PRO CA C 91 62.229 62.648 -0.419 1
1 1058 . 12 1 1 A 91 91 PRO CB C 91 32.367 33.034 -0.667 1
1 1061 . 12 1 1 A 92 92 LEU H H 92 8.373 8.349 0.024 1
1 1062 . 12 1 1 A 92 92 LEU HA H 92 4.110 4.731 -0.621 1
1 1072 . 12 1 1 A 92 92 LEU C C 92 176.841 176.481 0.360 1
1 1073 . 12 1 1 A 92 92 LEU CA C 92 55.163 53.541 1.622 1
1 1074 . 12 1 1 A 92 92 LEU CB C 92 43.188 43.351 -0.163 1
1 1078 . 12 1 1 A 92 92 LEU N N 92 121.096 122.078 -0.982 1
1 1079 . 12 1 1 A 93 93 SER H H 93 8.629 9.192 -0.563 1
1 1080 . 12 1 1 A 93 93 SER HA H 93 3.683 4.149 -0.466 1
1 1083 . 12 1 1 A 93 93 SER C C 93 171.637 173.565 -1.928 1
1 1084 . 12 1 1 A 93 93 SER CA C 93 56.900 56.834 0.066 1
1 1085 . 12 1 1 A 93 93 SER CB C 93 62.923 62.583 0.340 1
1 1086 . 12 1 1 A 93 93 SER N N 93 116.072 121.042 -4.970 1
1 1087 . 12 1 1 A 94 94 PRO HA H 94 4.330 4.487 -0.157 1
1 1094 . 12 1 1 A 94 94 PRO C C 94 178.093 177.185 0.908 1
1 1095 . 12 1 1 A 94 94 PRO CA C 94 63.309 62.620 0.689 1
1 1096 . 12 1 1 A 94 94 PRO CB C 94 31.463 31.738 -0.275 1
1 1099 . 12 1 1 A 95 95 SER H H 95 8.722 8.309 0.413 1
1 1100 . 12 1 1 A 95 95 SER HA H 95 4.923 4.835 0.088 1
1 1103 . 12 1 1 A 95 95 SER C C 95 176.215 175.415 0.800 1
1 1104 . 12 1 1 A 95 95 SER CA C 95 58.955 58.045 0.910 1
1 1105 . 12 1 1 A 95 95 SER CB C 95 64.884 64.297 0.587 1
1 1106 . 12 1 1 A 95 95 SER N N 95 122.184 115.083 7.101 1
1 1107 . 12 1 1 A 96 96 ILE H H 96 8.915 8.467 0.448 1
1 1108 . 12 1 1 A 96 96 ILE HA H 96 4.609 4.482 0.127 1
1 1118 . 12 1 1 A 96 96 ILE C C 96 174.546 176.298 -1.752 1
1 1119 . 12 1 1 A 96 96 ILE CA C 96 59.782 61.246 -1.464 1
1 1120 . 12 1 1 A 96 96 ILE CB C 96 40.995 39.560 1.435 1
1 1124 . 12 1 1 A 96 96 ILE N N 96 115.463 120.005 -4.542 1
1 1125 . 12 1 1 A 97 97 GLN H H 97 8.292 7.829 0.463 1
1 1126 . 12 1 1 A 97 97 GLN HA H 97 5.849 3.914 1.935 1
1 1133 . 12 1 1 A 97 97 GLN C C 97 176.173 174.511 1.662 1
1 1134 . 12 1 1 A 97 97 GLN CA C 97 54.361 56.904 -2.543 1
1 1135 . 12 1 1 A 97 97 GLN CB C 97 31.102 26.505 4.597 1
1 1137 . 12 1 1 A 97 97 GLN N N 97 117.686 118.005 -0.319 1
1 1139 . 12 1 1 A 98 98 SER H H 98 8.751 7.869 0.882 1
1 1140 . 12 1 1 A 98 98 SER HA H 98 4.618 4.597 0.021 1
1 1143 . 12 1 1 A 98 98 SER C C 98 172.310 173.400 -1.090 1
1 1144 . 12 1 1 A 98 98 SER CA C 98 57.019 58.084 -1.065 1
1 1145 . 12 1 1 A 98 98 SER CB C 98 64.588 63.340 1.248 1
1 1146 . 12 1 1 A 98 98 SER N N 98 115.969 113.162 2.807 1
1 1147 . 12 1 1 A 99 99 ARG H H 99 8.519 8.800 -0.281 1
1 1148 . 12 1 1 A 99 99 ARG HA H 99 5.627 5.168 0.459 1
1 1156 . 12 1 1 A 99 99 ARG C C 99 176.394 175.994 0.400 1
1 1157 . 12 1 1 A 99 99 ARG CA C 99 53.705 55.758 -2.053 1
1 1158 . 12 1 1 A 99 99 ARG CB C 99 32.853 31.123 1.730 1
1 1161 . 12 1 1 A 99 99 ARG N N 99 132.343 129.529 2.814 1
1 1163 . 12 1 1 A 100 100 THR H H 100 8.808 8.385 0.423 1
1 1164 . 12 1 1 A 100 100 THR HA H 100 4.182 4.306 -0.124 1
1 1169 . 12 1 1 A 100 100 THR C C 100 175.465 174.447 1.018 1
1 1170 . 12 1 1 A 100 100 THR CA C 100 61.701 62.523 -0.822 1
1 1171 . 12 1 1 A 100 100 THR CB C 100 69.515 70.095 -0.580 1
1 1173 . 12 1 1 A 100 100 THR N N 100 116.147 118.275 -2.128 1
1 1174 . 12 1 1 A 101 101 MET H H 101 7.254 8.552 -1.298 1
1 1175 . 12 1 1 A 101 101 MET HA H 101 4.504 4.639 -0.135 1
1 1183 . 12 1 1 A 101 101 MET C C 101 174.574 175.414 -0.840 1
1 1184 . 12 1 1 A 101 101 MET CA C 101 54.324 53.981 0.343 1
1 1185 . 12 1 1 A 101 101 MET CB C 101 32.235 32.416 -0.181 1
1 1188 . 12 1 1 A 101 101 MET N N 101 117.475 120.313 -2.838 1
1 1189 . 12 1 1 A 102 102 PRO HA H 102 4.647 4.712 -0.065 1
1 1196 . 12 1 1 A 102 102 PRO CA C 102 62.553 62.280 0.273 1
1 1197 . 12 1 1 A 102 102 PRO CB C 102 32.011 29.751 2.260 1
1 1 . 13 1 1 A 6 6 SER HA H 6 4.535 5.059 -0.524 1
1 4 . 13 1 1 A 6 6 SER CA C 6 58.104 56.009 2.095 1
1 5 . 13 1 1 A 6 6 SER CB C 6 64.201 66.036 -1.835 1
1 6 . 13 1 1 A 7 7 GLY H H 7 7.998 8.358 -0.360 1
1 7 . 13 1 1 A 7 7 GLY HA2 H 7 3.978 4.036 -0.058 1
1 8 . 13 1 1 A 7 7 GLY HA3 H 7 3.515 4.066 -0.551 1
1 9 . 13 1 1 A 7 7 GLY CA C 7 44.050 44.397 -0.347 1
1 10 . 13 1 1 A 7 7 GLY N N 7 108.741 108.340 0.401 1
1 11 . 13 1 1 A 8 8 PRO HA H 8 4.324 4.707 -0.383 1
1 18 . 13 1 1 A 8 8 PRO CA C 8 63.624 62.570 1.054 1
1 19 . 13 1 1 A 8 8 PRO CB C 8 32.235 32.471 -0.236 1
1 22 . 13 1 1 A 9 9 SER H H 9 8.323 8.714 -0.391 1
1 23 . 13 1 1 A 9 9 SER HA H 9 4.512 4.522 -0.010 1
1 26 . 13 1 1 A 9 9 SER C C 9 174.410 174.389 0.021 1
1 27 . 13 1 1 A 9 9 SER CA C 9 57.701 58.540 -0.839 1
1 28 . 13 1 1 A 9 9 SER CB C 9 63.909 64.073 -0.164 1
1 29 . 13 1 1 A 9 9 SER N N 9 115.299 116.984 -1.685 1
1 30 . 13 1 1 A 10 10 GLY H H 10 7.439 7.950 -0.511 1
1 31 . 13 1 1 A 10 10 GLY HA2 H 10 4.383 3.996 0.387 1
1 32 . 13 1 1 A 10 10 GLY HA3 H 10 3.951 4.053 -0.102 1
1 33 . 13 1 1 A 10 10 GLY C C 10 172.743 172.729 0.014 1
1 34 . 13 1 1 A 10 10 GLY CA C 10 43.924 44.038 -0.114 1
1 35 . 13 1 1 A 10 10 GLY N N 10 107.797 109.219 -1.422 1
1 36 . 13 1 1 A 11 11 PHE H H 11 7.534 8.242 -0.708 1
1 37 . 13 1 1 A 11 11 PHE HA H 11 5.519 5.333 0.186 1
1 44 . 13 1 1 A 11 11 PHE C C 11 173.822 173.589 0.233 1
1 45 . 13 1 1 A 11 11 PHE CA C 11 52.513 54.789 -2.276 1
1 46 . 13 1 1 A 11 11 PHE CB C 11 38.744 41.985 -3.241 1
1 51 . 13 1 1 A 11 11 PHE N N 11 115.246 116.217 -0.971 1
1 52 . 13 1 1 A 12 12 PRO HA H 12 4.285 4.729 -0.444 1
1 59 . 13 1 1 A 12 12 PRO C C 12 175.173 175.454 -0.281 1
1 60 . 13 1 1 A 12 12 PRO CA C 12 63.707 62.591 1.116 1
1 61 . 13 1 1 A 12 12 PRO CB C 12 32.344 33.580 -1.236 1
1 64 . 13 1 1 A 13 13 GLN H H 13 7.469 8.662 -1.193 1
1 65 . 13 1 1 A 13 13 GLN HA H 13 4.511 4.805 -0.294 1
1 72 . 13 1 1 A 13 13 GLN C C 13 175.349 175.151 0.198 1
1 73 . 13 1 1 A 13 13 GLN CA C 13 54.572 54.473 0.099 1
1 74 . 13 1 1 A 13 13 GLN CB C 13 32.848 31.511 1.337 1
1 76 . 13 1 1 A 13 13 GLN N N 13 120.555 118.931 1.624 1
1 78 . 13 1 1 A 14 14 ASN H H 14 8.978 8.876 0.102 1
1 79 . 13 1 1 A 14 14 ASN HA H 14 4.424 4.428 -0.004 1
1 84 . 13 1 1 A 14 14 ASN C C 14 174.770 173.941 0.829 1
1 85 . 13 1 1 A 14 14 ASN CA C 14 54.079 54.227 -0.148 1
1 86 . 13 1 1 A 14 14 ASN CB C 14 37.343 36.980 0.363 1
1 87 . 13 1 1 A 14 14 ASN N N 14 114.024 115.990 -1.966 1
1 89 . 13 1 1 A 15 15 LEU H H 15 8.437 7.992 0.445 1
1 90 . 13 1 1 A 15 15 LEU HA H 15 5.062 4.606 0.456 1
1 100 . 13 1 1 A 15 15 LEU C C 15 177.001 175.570 1.431 1
1 101 . 13 1 1 A 15 15 LEU CA C 15 56.667 55.374 1.293 1
1 102 . 13 1 1 A 15 15 LEU CB C 15 41.720 42.765 -1.045 1
1 106 . 13 1 1 A 15 15 LEU N N 15 121.843 121.925 -0.082 1
1 107 . 13 1 1 A 16 16 HIS H H 16 9.492 8.308 1.184 1
1 108 . 13 1 1 A 16 16 HIS HA H 16 4.987 5.197 -0.210 1
1 113 . 13 1 1 A 16 16 HIS C C 16 171.333 171.782 -0.449 1
1 114 . 13 1 1 A 16 16 HIS CA C 16 55.153 54.744 0.409 1
1 115 . 13 1 1 A 16 16 HIS CB C 16 30.515 31.773 -1.258 1
1 118 . 13 1 1 A 16 16 HIS N N 16 121.636 121.172 0.464 1
1 119 . 13 1 1 A 17 17 VAL H H 17 8.606 8.678 -0.072 1
1 120 . 13 1 1 A 17 17 VAL HA H 17 4.663 4.899 -0.236 1
1 128 . 13 1 1 A 17 17 VAL C C 17 177.740 176.002 1.738 1
1 129 . 13 1 1 A 17 17 VAL CA C 17 61.771 59.594 2.177 1
1 130 . 13 1 1 A 17 17 VAL CB C 17 33.476 34.540 -1.064 1
1 133 . 13 1 1 A 17 17 VAL N N 17 120.868 119.948 0.920 1
1 134 . 13 1 1 A 18 18 THR H H 18 9.022 8.881 0.141 1
1 135 . 13 1 1 A 18 18 THR HA H 18 4.516 4.538 -0.022 1
1 140 . 13 1 1 A 18 18 THR C C 18 174.913 174.536 0.377 1
1 141 . 13 1 1 A 18 18 THR CA C 18 61.472 62.687 -1.215 1
1 142 . 13 1 1 A 18 18 THR CB C 18 68.725 70.358 -1.633 1
1 144 . 13 1 1 A 18 18 THR N N 18 117.096 121.411 -4.315 1
1 145 . 13 1 1 A 19 19 GLY H H 19 7.443 7.399 0.044 1
1 146 . 13 1 1 A 19 19 GLY HA2 H 19 4.177 4.075 0.102 1
1 147 . 13 1 1 A 19 19 GLY HA3 H 19 3.909 4.083 -0.174 1
1 148 . 13 1 1 A 19 19 GLY C C 19 170.720 173.246 -2.526 1
1 149 . 13 1 1 A 19 19 GLY CA C 19 45.877 45.799 0.078 1
1 150 . 13 1 1 A 19 19 GLY N N 19 111.594 108.541 3.053 1
1 151 . 13 1 1 A 20 20 LEU H H 20 8.400 8.380 0.020 1
1 152 . 13 1 1 A 20 20 LEU HA H 20 4.803 4.443 0.360 1
1 162 . 13 1 1 A 20 20 LEU C C 20 175.350 176.018 -0.668 1
1 163 . 13 1 1 A 20 20 LEU CA C 20 55.557 54.521 1.036 1
1 164 . 13 1 1 A 20 20 LEU CB C 20 46.554 43.447 3.107 1
1 168 . 13 1 1 A 20 20 LEU N N 20 121.661 119.234 2.427 1
1 169 . 13 1 1 A 21 21 THR H H 21 7.720 8.485 -0.765 1
1 170 . 13 1 1 A 21 21 THR HA H 21 4.900 4.655 0.245 1
1 175 . 13 1 1 A 21 21 THR C C 21 174.986 175.187 -0.201 1
1 176 . 13 1 1 A 21 21 THR CA C 21 61.049 60.800 0.249 1
1 177 . 13 1 1 A 21 21 THR CB C 21 71.081 72.891 -1.810 1
1 179 . 13 1 1 A 21 21 THR N N 21 112.043 112.990 -0.947 1
1 180 . 13 1 1 A 22 22 THR H H 22 7.782 8.727 -0.945 1
1 181 . 13 1 1 A 22 22 THR HA H 22 4.657 4.219 0.438 1
1 186 . 13 1 1 A 22 22 THR C C 22 174.110 176.165 -2.055 1
1 187 . 13 1 1 A 22 22 THR CA C 22 63.654 65.655 -2.001 1
1 188 . 13 1 1 A 22 22 THR CB C 22 69.834 68.437 1.397 1
1 190 . 13 1 1 A 22 22 THR N N 22 110.558 119.096 -8.538 1
1 191 . 13 1 1 A 23 23 SER H H 23 7.289 7.701 -0.412 1
1 192 . 13 1 1 A 23 23 SER HA H 23 4.717 4.720 -0.003 1
1 195 . 13 1 1 A 23 23 SER C C 23 173.680 174.277 -0.597 1
1 196 . 13 1 1 A 23 23 SER CA C 23 57.212 60.396 -3.184 1
1 197 . 13 1 1 A 23 23 SER CB C 23 66.012 64.373 1.639 1
1 198 . 13 1 1 A 23 23 SER N N 23 107.116 115.548 -8.432 1
1 199 . 13 1 1 A 24 24 THR H H 24 7.174 7.623 -0.449 1
1 200 . 13 1 1 A 24 24 THR HA H 24 5.377 4.773 0.604 1
1 205 . 13 1 1 A 24 24 THR C C 24 176.427 173.554 2.873 1
1 206 . 13 1 1 A 24 24 THR CA C 24 58.656 59.692 -1.036 1
1 207 . 13 1 1 A 24 24 THR CB C 24 73.018 71.617 1.401 1
1 209 . 13 1 1 A 24 24 THR N N 24 111.053 112.149 -1.096 1
1 210 . 13 1 1 A 25 25 THR H H 25 8.180 8.417 -0.237 1
1 211 . 13 1 1 A 25 25 THR HA H 25 4.608 4.888 -0.280 1
1 216 . 13 1 1 A 25 25 THR C C 25 170.451 173.609 -3.158 1
1 217 . 13 1 1 A 25 25 THR CA C 25 63.619 61.598 2.021 1
1 218 . 13 1 1 A 25 25 THR CB C 25 75.464 71.564 3.900 1
1 220 . 13 1 1 A 25 25 THR N N 25 117.664 115.969 1.695 1
1 221 . 13 1 1 A 26 26 GLU H H 26 9.197 8.728 0.469 1
1 222 . 13 1 1 A 26 26 GLU HA H 26 4.706 4.510 0.196 1
1 227 . 13 1 1 A 26 26 GLU C C 26 174.626 175.458 -0.832 1
1 228 . 13 1 1 A 26 26 GLU CA C 26 55.751 57.142 -1.391 1
1 229 . 13 1 1 A 26 26 GLU CB C 26 30.917 30.895 0.022 1
1 231 . 13 1 1 A 26 26 GLU N N 26 130.706 126.527 4.179 1
1 232 . 13 1 1 A 27 27 LEU H H 27 9.001 8.550 0.451 1
1 233 . 13 1 1 A 27 27 LEU HA H 27 5.273 5.303 -0.030 1
1 243 . 13 1 1 A 27 27 LEU C C 27 176.770 175.597 1.173 1
1 244 . 13 1 1 A 27 27 LEU CA C 27 53.165 53.583 -0.418 1
1 245 . 13 1 1 A 27 27 LEU CB C 27 47.693 47.038 0.655 1
1 249 . 13 1 1 A 27 27 LEU N N 27 124.564 120.902 3.662 1
1 250 . 13 1 1 A 28 28 ALA H H 28 8.640 8.531 0.109 1
1 251 . 13 1 1 A 28 28 ALA HA H 28 4.577 4.696 -0.119 1
1 255 . 13 1 1 A 28 28 ALA C C 28 174.523 175.180 -0.657 1
1 256 . 13 1 1 A 28 28 ALA CA C 28 51.404 51.975 -0.571 1
1 257 . 13 1 1 A 28 28 ALA CB C 28 23.304 20.703 2.601 1
1 258 . 13 1 1 A 28 28 ALA N N 28 122.531 121.381 1.150 1
1 259 . 13 1 1 A 29 29 TRP H H 29 7.581 8.128 -0.547 1
1 260 . 13 1 1 A 29 29 TRP HA H 29 4.868 5.613 -0.745 1
1 269 . 13 1 1 A 29 29 TRP C C 29 172.280 173.073 -0.793 1
1 270 . 13 1 1 A 29 29 TRP CA C 29 56.948 54.392 2.556 1
1 271 . 13 1 1 A 29 29 TRP CB C 29 29.667 32.103 -2.436 1
1 277 . 13 1 1 A 29 29 TRP N N 29 115.551 120.936 -5.385 1
1 279 . 13 1 1 A 30 30 ASP H H 30 9.276 9.231 0.045 1
1 280 . 13 1 1 A 30 30 ASP HA H 30 5.443 5.076 0.367 1
1 283 . 13 1 1 A 30 30 ASP C C 30 173.846 173.564 0.282 1
1 284 . 13 1 1 A 30 30 ASP CA C 30 51.562 50.921 0.641 1
1 285 . 13 1 1 A 30 30 ASP CB C 30 42.533 42.408 0.125 1
1 286 . 13 1 1 A 30 30 ASP N N 30 117.265 119.827 -2.562 1
1 287 . 13 1 1 A 31 31 PRO HA H 31 5.105 5.090 0.015 1
1 294 . 13 1 1 A 31 31 PRO CA C 31 61.905 61.537 0.368 1
1 295 . 13 1 1 A 31 31 PRO CB C 31 29.864 31.500 -1.636 1
1 298 . 13 1 1 A 32 32 PRO HA H 32 4.580 4.482 0.098 1
1 305 . 13 1 1 A 32 32 PRO CA C 32 62.036 62.796 -0.760 1
1 306 . 13 1 1 A 32 32 PRO CB C 32 30.840 31.758 -0.918 1
1 309 . 13 1 1 A 33 33 VAL H H 33 8.755 8.235 0.520 1
1 310 . 13 1 1 A 33 33 VAL HA H 33 3.994 4.038 -0.044 1
1 318 . 13 1 1 A 33 33 VAL CA C 33 62.553 62.692 -0.139 1
1 319 . 13 1 1 A 33 33 VAL CB C 33 31.763 32.022 -0.259 1
1 322 . 13 1 1 A 33 33 VAL N N 33 120.113 120.255 -0.142 1
1 323 . 13 1 1 A 34 34 LEU H H 34 8.469 8.894 -0.425 1
1 324 . 13 1 1 A 34 34 LEU HA H 34 3.768 3.928 -0.160 1
1 334 . 13 1 1 A 34 34 LEU CA C 34 58.809 57.736 1.073 1
1 335 . 13 1 1 A 34 34 LEU CB C 34 42.426 41.452 0.974 1
1 339 . 13 1 1 A 34 34 LEU N N 34 125.095 124.890 0.205 1
1 340 . 13 1 1 A 35 35 ALA H H 35 8.586 7.915 0.671 1
1 341 . 13 1 1 A 35 35 ALA HA H 35 4.171 4.074 0.097 1
1 345 . 13 1 1 A 35 35 ALA CA C 35 53.957 55.280 -1.323 1
1 346 . 13 1 1 A 35 35 ALA CB C 35 19.056 18.651 0.405 1
1 347 . 13 1 1 A 35 35 ALA N N 35 119.010 122.297 -3.287 1
1 348 . 13 1 1 A 36 36 GLU H H 36 8.070 7.831 0.239 1
1 349 . 13 1 1 A 36 36 GLU HA H 36 4.305 4.438 -0.133 1
1 354 . 13 1 1 A 36 36 GLU CA C 36 55.527 55.157 0.370 1
1 355 . 13 1 1 A 36 36 GLU CB C 36 29.845 28.203 1.642 1
1 357 . 13 1 1 A 36 36 GLU N N 36 115.604 115.334 0.270 1
1 358 . 13 1 1 A 37 37 ARG HA H 37 3.758 4.728 -0.970 1
1 365 . 13 1 1 A 37 37 ARG CA C 37 60.050 54.471 5.579 1
1 366 . 13 1 1 A 37 37 ARG CB C 37 30.804 30.674 0.130 1
1 369 . 13 1 1 A 37 37 ARG N N 37 122.198 123.795 -1.597 1
1 370 . 13 1 1 A 38 38 ASN H H 38 8.093 8.441 -0.348 1
1 371 . 13 1 1 A 38 38 ASN HA H 38 4.291 4.446 -0.155 1
1 376 . 13 1 1 A 38 38 ASN C C 38 174.619 175.098 -0.479 1
1 377 . 13 1 1 A 38 38 ASN CA C 38 53.287 56.203 -2.916 1
1 378 . 13 1 1 A 38 38 ASN CB C 38 37.482 38.534 -1.052 1
1 379 . 13 1 1 A 38 38 ASN N N 38 109.319 124.054 -14.735 1
1 381 . 13 1 1 A 39 39 GLY H H 39 7.575 7.562 0.013 1
1 382 . 13 1 1 A 39 39 GLY HA2 H 39 4.320 4.050 0.270 1
1 383 . 13 1 1 A 39 39 GLY HA3 H 39 3.697 4.052 -0.355 1
1 384 . 13 1 1 A 39 39 GLY C C 39 172.138 172.260 -0.122 1
1 385 . 13 1 1 A 39 39 GLY CA C 39 43.766 45.900 -2.134 1
1 386 . 13 1 1 A 39 39 GLY N N 39 105.607 105.747 -0.140 1
1 387 . 13 1 1 A 40 40 ARG H H 40 8.180 8.396 -0.216 1
1 388 . 13 1 1 A 40 40 ARG HA H 40 4.333 5.099 -0.766 1
1 395 . 13 1 1 A 40 40 ARG C C 40 176.395 174.694 1.701 1
1 396 . 13 1 1 A 40 40 ARG CA C 40 55.453 54.090 1.363 1
1 397 . 13 1 1 A 40 40 ARG CB C 40 30.999 34.105 -3.106 1
1 400 . 13 1 1 A 40 40 ARG N N 40 119.566 122.272 -2.706 1
1 401 . 13 1 1 A 41 41 ILE H H 41 8.991 8.895 0.096 1
1 402 . 13 1 1 A 41 41 ILE HA H 41 4.256 4.745 -0.489 1
1 412 . 13 1 1 A 41 41 ILE CA C 41 59.279 60.054 -0.775 1
1 413 . 13 1 1 A 41 41 ILE CB C 41 35.329 40.554 -5.225 1
1 417 . 13 1 1 A 41 41 ILE N N 41 127.226 121.175 6.051 1
1 418 . 13 1 1 A 42 42 ILE H H 42 8.721 8.720 0.001 1
1 419 . 13 1 1 A 42 42 ILE HA H 42 4.475 4.535 -0.060 1
1 429 . 13 1 1 A 42 42 ILE C C 42 175.959 175.784 0.175 1
1 430 . 13 1 1 A 42 42 ILE CA C 42 61.208 61.198 0.010 1
1 431 . 13 1 1 A 42 42 ILE CB C 42 39.771 40.001 -0.230 1
1 435 . 13 1 1 A 42 42 ILE N N 42 122.018 120.117 1.901 1
1 436 . 13 1 1 A 43 43 SER H H 43 7.425 7.514 -0.089 1
1 437 . 13 1 1 A 43 43 SER HA H 43 4.555 4.849 -0.294 1
1 440 . 13 1 1 A 43 43 SER C C 43 170.232 171.716 -1.484 1
1 441 . 13 1 1 A 43 43 SER CA C 43 58.234 57.423 0.811 1
1 442 . 13 1 1 A 43 43 SER CB C 43 64.287 65.061 -0.774 1
1 443 . 13 1 1 A 43 43 SER N N 43 113.043 115.413 -2.370 1
1 444 . 13 1 1 A 44 44 TYR H H 44 9.297 8.459 0.838 1
1 445 . 13 1 1 A 44 44 TYR HA H 44 5.741 5.783 -0.042 1
1 452 . 13 1 1 A 44 44 TYR C C 44 175.735 175.234 0.501 1
1 453 . 13 1 1 A 44 44 TYR CA C 44 57.137 56.338 0.799 1
1 454 . 13 1 1 A 44 44 TYR CB C 44 42.410 43.161 -0.751 1
1 459 . 13 1 1 A 44 44 TYR N N 44 116.157 120.877 -4.720 1
1 460 . 13 1 1 A 45 45 THR H H 45 8.778 8.626 0.152 1
1 461 . 13 1 1 A 45 45 THR HA H 45 5.094 5.189 -0.095 1
1 466 . 13 1 1 A 45 45 THR C C 45 173.026 173.639 -0.613 1
1 467 . 13 1 1 A 45 45 THR CA C 45 61.853 61.362 0.491 1
1 468 . 13 1 1 A 45 45 THR CB C 45 71.072 70.524 0.548 1
1 470 . 13 1 1 A 45 45 THR N N 45 114.801 115.732 -0.931 1
1 471 . 13 1 1 A 46 46 VAL H H 46 9.145 8.582 0.563 1
1 472 . 13 1 1 A 46 46 VAL HA H 46 4.244 4.599 -0.355 1
1 480 . 13 1 1 A 46 46 VAL C C 46 174.278 175.390 -1.112 1
1 481 . 13 1 1 A 46 46 VAL CA C 46 61.137 62.592 -1.455 1
1 482 . 13 1 1 A 46 46 VAL CB C 46 32.999 30.878 2.121 1
1 485 . 13 1 1 A 46 46 VAL N N 46 127.180 127.638 -0.458 1
1 486 . 13 1 1 A 47 47 VAL H H 47 9.041 8.501 0.540 1
1 487 . 13 1 1 A 47 47 VAL HA H 47 5.004 4.752 0.252 1
1 495 . 13 1 1 A 47 47 VAL C C 47 175.023 175.721 -0.698 1
1 496 . 13 1 1 A 47 47 VAL CA C 47 60.996 61.437 -0.441 1
1 497 . 13 1 1 A 47 47 VAL CB C 47 33.488 32.181 1.307 1
1 500 . 13 1 1 A 47 47 VAL N N 47 128.169 128.646 -0.477 1
1 501 . 13 1 1 A 48 48 PHE H H 48 9.169 8.902 0.267 1
1 502 . 13 1 1 A 48 48 PHE HA H 48 6.209 6.227 -0.018 1
1 510 . 13 1 1 A 48 48 PHE C C 48 173.210 173.548 -0.338 1
1 511 . 13 1 1 A 48 48 PHE CA C 48 54.702 55.201 -0.499 1
1 512 . 13 1 1 A 48 48 PHE CB C 48 43.316 42.812 0.504 1
1 518 . 13 1 1 A 48 48 PHE N N 48 123.753 124.252 -0.499 1
1 519 . 13 1 1 A 49 49 ARG H H 49 8.693 8.851 -0.158 1
1 520 . 13 1 1 A 49 49 ARG HA H 49 4.817 4.762 0.055 1
1 528 . 13 1 1 A 49 49 ARG C C 49 175.280 174.192 1.088 1
1 529 . 13 1 1 A 49 49 ARG CA C 49 54.801 55.099 -0.298 1
1 530 . 13 1 1 A 49 49 ARG CB C 49 35.242 34.005 1.237 1
1 533 . 13 1 1 A 49 49 ARG N N 49 118.793 120.752 -1.959 1
1 535 . 13 1 1 A 50 50 ASP H H 50 8.820 8.346 0.474 1
1 536 . 13 1 1 A 50 50 ASP HA H 50 4.029 4.536 -0.507 1
1 539 . 13 1 1 A 50 50 ASP C C 50 178.592 177.101 1.491 1
1 540 . 13 1 1 A 50 50 ASP CA C 50 53.498 53.946 -0.448 1
1 541 . 13 1 1 A 50 50 ASP CB C 50 40.543 41.315 -0.772 1
1 542 . 13 1 1 A 50 50 ASP N N 50 128.720 125.744 2.976 1
1 543 . 13 1 1 A 51 51 ILE H H 51 8.315 8.422 -0.107 1
1 544 . 13 1 1 A 51 51 ILE HA H 51 3.892 3.859 0.033 1
1 554 . 13 1 1 A 51 51 ILE C C 51 176.905 176.506 0.399 1
1 555 . 13 1 1 A 51 51 ILE CA C 51 64.569 63.221 1.348 1
1 556 . 13 1 1 A 51 51 ILE CB C 51 38.126 37.957 0.169 1
1 560 . 13 1 1 A 51 51 ILE N N 51 124.642 122.631 2.011 1
1 561 . 13 1 1 A 52 52 ASN H H 52 8.677 7.950 0.727 1
1 562 . 13 1 1 A 52 52 ASN HA H 52 4.760 4.781 -0.021 1
1 567 . 13 1 1 A 52 52 ASN C C 52 174.645 174.731 -0.086 1
1 568 . 13 1 1 A 52 52 ASN CA C 52 53.851 53.382 0.469 1
1 569 . 13 1 1 A 52 52 ASN CB C 52 39.032 39.468 -0.436 1
1 570 . 13 1 1 A 52 52 ASN N N 52 119.201 118.997 0.204 1
1 572 . 13 1 1 A 53 53 SER H H 53 8.409 8.273 0.136 1
1 573 . 13 1 1 A 53 53 SER HA H 53 4.663 4.937 -0.274 1
1 576 . 13 1 1 A 53 53 SER C C 53 173.861 174.021 -0.160 1
1 577 . 13 1 1 A 53 53 SER CA C 53 56.702 57.682 -0.980 1
1 578 . 13 1 1 A 53 53 SER CB C 53 65.730 67.056 -1.326 1
1 579 . 13 1 1 A 53 53 SER N N 53 116.494 115.106 1.388 1
1 580 . 13 1 1 A 54 54 GLN H H 54 8.489 8.598 -0.109 1
1 581 . 13 1 1 A 54 54 GLN HA H 54 4.329 4.538 -0.209 1
1 588 . 13 1 1 A 54 54 GLN C C 54 175.789 175.399 0.390 1
1 589 . 13 1 1 A 54 54 GLN CA C 54 55.857 55.171 0.686 1
1 590 . 13 1 1 A 54 54 GLN CB C 54 28.847 29.090 -0.243 1
1 592 . 13 1 1 A 54 54 GLN N N 54 119.700 122.840 -3.140 1
1 594 . 13 1 1 A 55 55 GLN H H 55 8.108 7.660 0.448 1
1 595 . 13 1 1 A 55 55 GLN HA H 55 4.269 4.562 -0.293 1
1 602 . 13 1 1 A 55 55 GLN C C 55 174.076 174.527 -0.451 1
1 603 . 13 1 1 A 55 55 GLN CA C 55 55.689 55.213 0.476 1
1 604 . 13 1 1 A 55 55 GLN CB C 55 29.352 29.846 -0.494 1
1 606 . 13 1 1 A 55 55 GLN N N 55 120.355 121.066 -0.711 1
1 608 . 13 1 1 A 56 56 GLU H H 56 8.603 8.881 -0.278 1
1 609 . 13 1 1 A 56 56 GLU HA H 56 4.372 5.017 -0.645 1
1 614 . 13 1 1 A 56 56 GLU C C 56 175.058 174.934 0.124 1
1 615 . 13 1 1 A 56 56 GLU CA C 56 55.594 55.082 0.512 1
1 616 . 13 1 1 A 56 56 GLU CB C 56 31.640 32.704 -1.064 1
1 618 . 13 1 1 A 56 56 GLU N N 56 126.250 128.411 -2.161 1
1 619 . 13 1 1 A 57 57 LEU H H 57 8.520 8.517 0.003 1
1 620 . 13 1 1 A 57 57 LEU HA H 57 4.458 4.727 -0.269 1
1 630 . 13 1 1 A 57 57 LEU C C 57 174.850 174.550 0.300 1
1 631 . 13 1 1 A 57 57 LEU CA C 57 53.780 53.130 0.650 1
1 632 . 13 1 1 A 57 57 LEU CB C 57 43.903 46.372 -2.469 1
1 636 . 13 1 1 A 57 57 LEU N N 57 127.205 125.980 1.225 1
1 637 . 13 1 1 A 58 58 GLN H H 58 7.992 8.699 -0.707 1
1 638 . 13 1 1 A 58 58 GLN HA H 58 5.865 5.544 0.321 1
1 645 . 13 1 1 A 58 58 GLN C C 58 175.948 173.602 2.346 1
1 646 . 13 1 1 A 58 58 GLN CA C 58 53.944 54.470 -0.526 1
1 647 . 13 1 1 A 58 58 GLN CB C 58 32.786 32.625 0.161 1
1 649 . 13 1 1 A 58 58 GLN N N 58 113.562 117.817 -4.255 1
1 651 . 13 1 1 A 59 59 ASN H H 59 9.073 8.875 0.198 1
1 652 . 13 1 1 A 59 59 ASN HA H 59 5.068 5.417 -0.349 1
1 657 . 13 1 1 A 59 59 ASN C C 59 172.790 174.024 -1.234 1
1 658 . 13 1 1 A 59 59 ASN CA C 59 53.023 51.656 1.367 1
1 659 . 13 1 1 A 59 59 ASN CB C 59 45.541 42.961 2.580 1
1 660 . 13 1 1 A 59 59 ASN N N 59 119.984 117.236 2.748 1
1 662 . 13 1 1 A 60 60 ILE H H 60 8.491 8.456 0.035 1
1 663 . 13 1 1 A 60 60 ILE HA H 60 5.147 5.175 -0.028 1
1 673 . 13 1 1 A 60 60 ILE C C 60 175.088 174.503 0.585 1
1 674 . 13 1 1 A 60 60 ILE CA C 60 59.853 60.139 -0.286 1
1 675 . 13 1 1 A 60 60 ILE CB C 60 40.891 41.043 -0.152 1
1 679 . 13 1 1 A 60 60 ILE N N 60 119.480 120.648 -1.168 1
1 680 . 13 1 1 A 61 61 THR H H 61 8.755 8.509 0.246 1
1 681 . 13 1 1 A 61 61 THR HA H 61 4.976 5.182 -0.206 1
1 686 . 13 1 1 A 61 61 THR C C 61 172.097 173.793 -1.696 1
1 687 . 13 1 1 A 61 61 THR CA C 61 59.905 60.128 -0.223 1
1 688 . 13 1 1 A 61 61 THR CB C 61 69.505 71.477 -1.972 1
1 690 . 13 1 1 A 61 61 THR N N 61 118.083 120.340 -2.257 1
1 691 . 13 1 1 A 62 62 THR H H 62 8.325 8.585 -0.260 1
1 692 . 13 1 1 A 62 62 THR HA H 62 4.641 4.629 0.012 1
1 697 . 13 1 1 A 62 62 THR C C 62 174.386 173.073 1.313 1
1 698 . 13 1 1 A 62 62 THR CA C 62 62.440 62.126 0.314 1
1 699 . 13 1 1 A 62 62 THR CB C 62 69.355 68.742 0.613 1
1 701 . 13 1 1 A 62 62 THR N N 62 115.077 117.471 -2.394 1
1 702 . 13 1 1 A 63 63 ASP H H 63 8.611 7.749 0.862 1
1 703 . 13 1 1 A 63 63 ASP HA H 63 4.962 5.075 -0.113 1
1 706 . 13 1 1 A 63 63 ASP C C 63 172.906 176.467 -3.561 1
1 707 . 13 1 1 A 63 63 ASP CA C 63 52.981 53.156 -0.175 1
1 708 . 13 1 1 A 63 63 ASP CB C 63 43.465 44.807 -1.342 1
1 709 . 13 1 1 A 63 63 ASP N N 63 125.713 120.902 4.811 1
1 710 . 13 1 1 A 64 64 THR H H 64 7.925 8.293 -0.368 1
1 711 . 13 1 1 A 64 64 THR HA H 64 3.088 3.669 -0.581 1
1 716 . 13 1 1 A 64 64 THR C C 64 172.176 171.838 0.338 1
1 717 . 13 1 1 A 64 64 THR CA C 64 59.078 61.313 -2.235 1
1 718 . 13 1 1 A 64 64 THR CB C 64 66.137 68.132 -1.995 1
1 720 . 13 1 1 A 64 64 THR N N 64 104.287 112.494 -8.207 1
1 721 . 13 1 1 A 65 65 ARG H H 65 6.387 7.310 -0.923 1
1 722 . 13 1 1 A 65 65 ARG HA H 65 4.221 3.915 0.306 1
1 729 . 13 1 1 A 65 65 ARG C C 65 174.862 174.394 0.468 1
1 730 . 13 1 1 A 65 65 ARG CA C 65 54.132 53.532 0.600 1
1 731 . 13 1 1 A 65 65 ARG CB C 65 32.928 34.130 -1.202 1
1 734 . 13 1 1 A 65 65 ARG N N 65 115.062 118.542 -3.480 1
1 735 . 13 1 1 A 66 66 PHE H H 66 8.177 8.986 -0.809 1
1 736 . 13 1 1 A 66 66 PHE HA H 66 4.373 4.967 -0.594 1
1 744 . 13 1 1 A 66 66 PHE C C 66 172.804 173.031 -0.227 1
1 745 . 13 1 1 A 66 66 PHE CA C 66 59.536 58.151 1.385 1
1 746 . 13 1 1 A 66 66 PHE CB C 66 44.469 42.365 2.104 1
1 752 . 13 1 1 A 66 66 PHE N N 66 119.991 119.658 0.333 1
1 753 . 13 1 1 A 67 67 THR H H 67 7.332 7.624 -0.292 1
1 754 . 13 1 1 A 67 67 THR HA H 67 4.628 5.084 -0.456 1
1 759 . 13 1 1 A 67 67 THR C C 67 172.910 174.036 -1.126 1
1 760 . 13 1 1 A 67 67 THR CA C 67 61.261 61.048 0.213 1
1 761 . 13 1 1 A 67 67 THR CB C 67 69.260 70.339 -1.079 1
1 763 . 13 1 1 A 67 67 THR N N 67 123.294 119.368 3.926 1
1 764 . 13 1 1 A 68 68 LEU H H 68 8.776 9.159 -0.383 1
1 765 . 13 1 1 A 68 68 LEU HA H 68 4.192 4.368 -0.176 1
1 775 . 13 1 1 A 68 68 LEU C C 68 176.337 175.953 0.384 1
1 776 . 13 1 1 A 68 68 LEU CA C 68 54.394 54.758 -0.364 1
1 777 . 13 1 1 A 68 68 LEU CB C 68 42.394 42.088 0.306 1
1 781 . 13 1 1 A 68 68 LEU N N 68 126.969 127.813 -0.844 1
1 782 . 13 1 1 A 69 69 THR H H 69 7.921 8.229 -0.308 1
1 783 . 13 1 1 A 69 69 THR HA H 69 4.814 4.661 0.153 1
1 788 . 13 1 1 A 69 69 THR C C 69 173.856 173.518 0.338 1
1 789 . 13 1 1 A 69 69 THR CA C 69 59.694 60.489 -0.795 1
1 790 . 13 1 1 A 69 69 THR CB C 69 71.829 71.536 0.293 1
1 792 . 13 1 1 A 69 69 THR N N 69 111.246 111.375 -0.129 1
1 793 . 13 1 1 A 70 70 GLY H H 70 8.894 8.645 0.249 1
1 794 . 13 1 1 A 70 70 GLY HA2 H 70 3.930 3.839 0.091 1
1 795 . 13 1 1 A 70 70 GLY HA3 H 70 3.809 3.859 -0.050 1
1 796 . 13 1 1 A 70 70 GLY C C 70 175.589 174.651 0.938 1
1 797 . 13 1 1 A 70 70 GLY CA C 70 46.178 46.693 -0.515 1
1 798 . 13 1 1 A 70 70 GLY N N 70 107.415 111.778 -4.363 1
1 799 . 13 1 1 A 71 71 LEU H H 71 8.341 7.828 0.513 1
1 800 . 13 1 1 A 71 71 LEU HA H 71 4.195 4.693 -0.498 1
1 810 . 13 1 1 A 71 71 LEU C C 71 175.422 175.315 0.107 1
1 811 . 13 1 1 A 71 71 LEU CA C 71 53.429 53.482 -0.053 1
1 812 . 13 1 1 A 71 71 LEU CB C 71 40.650 43.335 -2.685 1
1 816 . 13 1 1 A 71 71 LEU N N 71 118.621 120.583 -1.962 1
1 817 . 13 1 1 A 72 72 LYS H H 72 8.298 9.293 -0.995 1
1 818 . 13 1 1 A 72 72 LYS HA H 72 4.631 4.852 -0.221 1
1 827 . 13 1 1 A 72 72 LYS C C 72 174.599 175.306 -0.707 1
1 828 . 13 1 1 A 72 72 LYS CA C 72 53.851 53.935 -0.084 1
1 829 . 13 1 1 A 72 72 LYS CB C 72 33.619 34.469 -0.850 1
1 833 . 13 1 1 A 72 72 LYS N N 72 121.340 122.399 -1.059 1
1 834 . 13 1 1 A 73 73 PRO HA H 73 5.086 4.729 0.357 1
1 841 . 13 1 1 A 73 73 PRO C C 73 178.198 177.227 0.971 1
1 842 . 13 1 1 A 73 73 PRO CA C 73 62.897 63.546 -0.649 1
1 843 . 13 1 1 A 73 73 PRO CB C 73 33.198 32.106 1.092 1
1 846 . 13 1 1 A 74 74 ASP H H 74 7.537 9.019 -1.482 1
1 847 . 13 1 1 A 74 74 ASP HA H 74 4.290 4.274 0.016 1
1 850 . 13 1 1 A 74 74 ASP C C 74 174.390 174.704 -0.314 1
1 851 . 13 1 1 A 74 74 ASP CA C 74 54.343 55.154 -0.811 1
1 852 . 13 1 1 A 74 74 ASP CB C 74 41.393 39.746 1.647 1
1 853 . 13 1 1 A 74 74 ASP N N 74 126.834 121.591 5.243 1
1 854 . 13 1 1 A 75 75 THR H H 75 8.197 7.221 0.976 1
1 855 . 13 1 1 A 75 75 THR HA H 75 4.316 4.763 -0.447 1
1 860 . 13 1 1 A 75 75 THR C C 75 172.076 173.506 -1.430 1
1 861 . 13 1 1 A 75 75 THR CA C 75 63.087 61.264 1.823 1
1 862 . 13 1 1 A 75 75 THR CB C 75 71.822 72.300 -0.478 1
1 864 . 13 1 1 A 75 75 THR N N 75 113.905 112.327 1.578 1
1 865 . 13 1 1 A 76 76 THR H H 76 8.606 8.682 -0.076 1
1 866 . 13 1 1 A 76 76 THR HA H 76 4.641 4.352 0.289 1
1 871 . 13 1 1 A 76 76 THR C C 76 172.308 173.930 -1.622 1
1 872 . 13 1 1 A 76 76 THR CA C 76 63.197 63.563 -0.366 1
1 873 . 13 1 1 A 76 76 THR CB C 76 68.333 69.315 -0.982 1
1 875 . 13 1 1 A 76 76 THR N N 76 124.170 121.291 2.879 1
1 876 . 13 1 1 A 77 77 TYR H H 77 9.230 8.928 0.302 1
1 877 . 13 1 1 A 77 77 TYR HA H 77 5.084 5.016 0.068 1
1 884 . 13 1 1 A 77 77 TYR C C 77 174.065 174.393 -0.328 1
1 885 . 13 1 1 A 77 77 TYR CA C 77 57.443 56.357 1.086 1
1 886 . 13 1 1 A 77 77 TYR CB C 77 41.115 40.176 0.939 1
1 891 . 13 1 1 A 77 77 TYR N N 77 125.729 126.017 -0.288 1
1 892 . 13 1 1 A 78 78 ASP H H 78 9.222 9.427 -0.205 1
1 893 . 13 1 1 A 78 78 ASP HA H 78 5.288 4.821 0.467 1
1 896 . 13 1 1 A 78 78 ASP C C 78 176.268 174.909 1.359 1
1 897 . 13 1 1 A 78 78 ASP CA C 78 53.565 54.456 -0.891 1
1 898 . 13 1 1 A 78 78 ASP CB C 78 44.874 41.018 3.856 1
1 899 . 13 1 1 A 78 78 ASP N N 78 124.016 125.663 -1.647 1
1 900 . 13 1 1 A 79 79 ILE H H 79 9.210 8.962 0.248 1
1 901 . 13 1 1 A 79 79 ILE HA H 79 5.027 5.273 -0.246 1
1 911 . 13 1 1 A 79 79 ILE C C 79 172.968 174.823 -1.855 1
1 912 . 13 1 1 A 79 79 ILE CA C 79 61.102 60.002 1.100 1
1 913 . 13 1 1 A 79 79 ILE CB C 79 41.830 40.400 1.430 1
1 917 . 13 1 1 A 79 79 ILE N N 79 127.527 127.502 0.025 1
1 918 . 13 1 1 A 80 80 LYS H H 80 8.930 9.228 -0.298 1
1 919 . 13 1 1 A 80 80 LYS HA H 80 4.282 5.088 -0.806 1
1 928 . 13 1 1 A 80 80 LYS C C 80 173.716 174.306 -0.590 1
1 929 . 13 1 1 A 80 80 LYS CA C 80 54.749 53.976 0.773 1
1 930 . 13 1 1 A 80 80 LYS CB C 80 37.864 36.853 1.011 1
1 934 . 13 1 1 A 80 80 LYS N N 80 122.620 124.519 -1.899 1
1 935 . 13 1 1 A 81 81 VAL H H 81 8.070 8.802 -0.732 1
1 936 . 13 1 1 A 81 81 VAL HA H 81 5.365 4.837 0.528 1
1 944 . 13 1 1 A 81 81 VAL C C 81 174.099 173.509 0.590 1
1 945 . 13 1 1 A 81 81 VAL CA C 81 59.228 59.428 -0.200 1
1 946 . 13 1 1 A 81 81 VAL CB C 81 36.108 35.107 1.001 1
1 949 . 13 1 1 A 81 81 VAL N N 81 115.045 119.151 -4.106 1
1 950 . 13 1 1 A 82 82 ARG H H 82 8.733 8.915 -0.182 1
1 951 . 13 1 1 A 82 82 ARG HA H 82 4.984 5.064 -0.080 1
1 959 . 13 1 1 A 82 82 ARG C C 82 172.874 174.366 -1.492 1
1 960 . 13 1 1 A 82 82 ARG CA C 82 53.552 54.852 -1.300 1
1 961 . 13 1 1 A 82 82 ARG CB C 82 34.521 33.972 0.549 1
1 964 . 13 1 1 A 82 82 ARG N N 82 122.032 123.593 -1.561 1
1 966 . 13 1 1 A 83 83 ALA H H 83 9.221 8.551 0.670 1
1 967 . 13 1 1 A 83 83 ALA HA H 83 5.132 4.115 1.017 1
1 971 . 13 1 1 A 83 83 ALA C C 83 174.998 176.854 -1.856 1
1 972 . 13 1 1 A 83 83 ALA CA C 83 50.383 51.708 -1.325 1
1 973 . 13 1 1 A 83 83 ALA CB C 83 23.472 19.696 3.776 1
1 974 . 13 1 1 A 83 83 ALA N N 83 124.044 125.465 -1.421 1
1 975 . 13 1 1 A 84 84 TRP H H 84 8.387 8.806 -0.419 1
1 976 . 13 1 1 A 84 84 TRP HA H 84 5.020 5.464 -0.444 1
1 985 . 13 1 1 A 84 84 TRP C C 84 177.430 175.989 1.441 1
1 986 . 13 1 1 A 84 84 TRP CA C 84 56.807 55.711 1.096 1
1 987 . 13 1 1 A 84 84 TRP CB C 84 31.235 32.783 -1.548 1
1 993 . 13 1 1 A 84 84 TRP N N 84 117.779 121.313 -3.534 1
1 995 . 13 1 1 A 85 85 THR H H 85 8.698 8.978 -0.280 1
1 996 . 13 1 1 A 85 85 THR HA H 85 5.190 5.285 -0.095 1
1 1001 . 13 1 1 A 85 85 THR C C 85 176.429 176.457 -0.028 1
1 1002 . 13 1 1 A 85 85 THR CA C 85 59.958 59.820 0.138 1
1 1003 . 13 1 1 A 85 85 THR CB C 85 72.646 72.028 0.618 1
1 1005 . 13 1 1 A 85 85 THR N N 85 111.404 114.988 -3.584 1
1 1006 . 13 1 1 A 86 86 SER H H 86 9.765 9.154 0.611 1
1 1007 . 13 1 1 A 86 86 SER HA H 86 4.242 4.151 0.091 1
1 1010 . 13 1 1 A 86 86 SER C C 86 174.834 176.452 -1.618 1
1 1011 . 13 1 1 A 86 86 SER CA C 86 61.014 61.595 -0.581 1
1 1012 . 13 1 1 A 86 86 SER CB C 86 62.807 62.629 0.178 1
1 1013 . 13 1 1 A 86 86 SER N N 86 115.745 116.373 -0.628 1
1 1014 . 13 1 1 A 87 87 LYS H H 87 7.947 7.832 0.115 1
1 1015 . 13 1 1 A 87 87 LYS HA H 87 4.426 4.257 0.169 1
1 1024 . 13 1 1 A 87 87 LYS C C 87 176.373 177.006 -0.633 1
1 1025 . 13 1 1 A 87 87 LYS CA C 87 55.857 58.505 -2.648 1
1 1026 . 13 1 1 A 87 87 LYS CB C 87 33.386 33.112 0.274 1
1 1030 . 13 1 1 A 87 87 LYS N N 87 118.254 119.738 -1.484 1
1 1031 . 13 1 1 A 88 88 GLY H H 88 7.400 7.001 0.399 1
1 1032 . 13 1 1 A 88 88 GLY HA2 H 88 4.446 4.040 0.406 1
1 1033 . 13 1 1 A 88 88 GLY HA3 H 88 3.990 4.151 -0.161 1
1 1034 . 13 1 1 A 88 88 GLY C C 88 171.366 171.405 -0.039 1
1 1035 . 13 1 1 A 88 88 GLY CA C 88 45.006 45.958 -0.952 1
1 1036 . 13 1 1 A 88 88 GLY N N 88 106.086 104.075 2.011 1
1 1037 . 13 1 1 A 89 89 SER H H 89 8.048 8.222 -0.174 1
1 1038 . 13 1 1 A 89 89 SER HA H 89 3.899 4.639 -0.740 1
1 1041 . 13 1 1 A 89 89 SER CA C 89 56.522 55.586 0.936 1
1 1042 . 13 1 1 A 89 89 SER CB C 89 63.965 65.377 -1.412 1
1 1043 . 13 1 1 A 89 89 SER N N 89 113.549 116.102 -2.553 1
1 1044 . 13 1 1 A 90 90 GLY H H 90 8.282 7.941 0.341 1
1 1045 . 13 1 1 A 90 90 GLY HA2 H 90 4.637 4.056 0.581 1
1 1046 . 13 1 1 A 90 90 GLY HA3 H 90 3.696 4.075 -0.379 1
1 1047 . 13 1 1 A 90 90 GLY CA C 90 44.399 44.210 0.189 1
1 1048 . 13 1 1 A 90 90 GLY N N 90 109.030 110.174 -1.144 1
1 1049 . 13 1 1 A 91 91 PRO HA H 91 4.448 4.529 -0.081 1
1 1056 . 13 1 1 A 91 91 PRO C C 91 177.760 175.122 2.638 1
1 1057 . 13 1 1 A 91 91 PRO CA C 91 62.229 62.477 -0.248 1
1 1058 . 13 1 1 A 91 91 PRO CB C 91 32.367 33.340 -0.973 1
1 1061 . 13 1 1 A 92 92 LEU H H 92 8.373 8.306 0.067 1
1 1062 . 13 1 1 A 92 92 LEU HA H 92 4.110 4.738 -0.628 1
1 1072 . 13 1 1 A 92 92 LEU C C 92 176.841 176.383 0.458 1
1 1073 . 13 1 1 A 92 92 LEU CA C 92 55.163 53.557 1.606 1
1 1074 . 13 1 1 A 92 92 LEU CB C 92 43.188 43.714 -0.526 1
1 1078 . 13 1 1 A 92 92 LEU N N 92 121.096 121.717 -0.621 1
1 1079 . 13 1 1 A 93 93 SER H H 93 8.629 9.131 -0.502 1
1 1080 . 13 1 1 A 93 93 SER HA H 93 3.683 4.369 -0.686 1
1 1083 . 13 1 1 A 93 93 SER C C 93 171.637 173.758 -2.121 1
1 1084 . 13 1 1 A 93 93 SER CA C 93 56.900 57.004 -0.104 1
1 1085 . 13 1 1 A 93 93 SER CB C 93 62.923 62.855 0.068 1
1 1086 . 13 1 1 A 93 93 SER N N 93 116.072 121.108 -5.036 1
1 1087 . 13 1 1 A 94 94 PRO HA H 94 4.330 4.501 -0.171 1
1 1094 . 13 1 1 A 94 94 PRO C C 94 178.093 177.193 0.900 1
1 1095 . 13 1 1 A 94 94 PRO CA C 94 63.309 62.616 0.693 1
1 1096 . 13 1 1 A 94 94 PRO CB C 94 31.463 31.800 -0.337 1
1 1099 . 13 1 1 A 95 95 SER H H 95 8.722 8.345 0.377 1
1 1100 . 13 1 1 A 95 95 SER HA H 95 4.923 4.960 -0.037 1
1 1103 . 13 1 1 A 95 95 SER C C 95 176.215 175.270 0.945 1
1 1104 . 13 1 1 A 95 95 SER CA C 95 58.955 58.069 0.886 1
1 1105 . 13 1 1 A 95 95 SER CB C 95 64.884 64.326 0.558 1
1 1106 . 13 1 1 A 95 95 SER N N 95 122.184 115.054 7.130 1
1 1107 . 13 1 1 A 96 96 ILE H H 96 8.915 8.488 0.427 1
1 1108 . 13 1 1 A 96 96 ILE HA H 96 4.609 4.533 0.076 1
1 1118 . 13 1 1 A 96 96 ILE C C 96 174.546 176.386 -1.840 1
1 1119 . 13 1 1 A 96 96 ILE CA C 96 59.782 61.143 -1.361 1
1 1120 . 13 1 1 A 96 96 ILE CB C 96 40.995 40.002 0.993 1
1 1124 . 13 1 1 A 96 96 ILE N N 96 115.463 118.948 -3.485 1
1 1125 . 13 1 1 A 97 97 GLN H H 97 8.292 7.817 0.475 1
1 1126 . 13 1 1 A 97 97 GLN HA H 97 5.849 3.927 1.922 1
1 1133 . 13 1 1 A 97 97 GLN C C 97 176.173 174.516 1.657 1
1 1134 . 13 1 1 A 97 97 GLN CA C 97 54.361 56.917 -2.556 1
1 1135 . 13 1 1 A 97 97 GLN CB C 97 31.102 26.318 4.784 1
1 1137 . 13 1 1 A 97 97 GLN N N 97 117.686 117.775 -0.089 1
1 1139 . 13 1 1 A 98 98 SER H H 98 8.751 7.406 1.345 1
1 1140 . 13 1 1 A 98 98 SER HA H 98 4.618 4.582 0.036 1
1 1143 . 13 1 1 A 98 98 SER C C 98 172.310 173.555 -1.245 1
1 1144 . 13 1 1 A 98 98 SER CA C 98 57.019 57.917 -0.898 1
1 1145 . 13 1 1 A 98 98 SER CB C 98 64.588 63.140 1.448 1
1 1146 . 13 1 1 A 98 98 SER N N 98 115.969 113.564 2.405 1
1 1147 . 13 1 1 A 99 99 ARG H H 99 8.519 8.807 -0.288 1
1 1148 . 13 1 1 A 99 99 ARG HA H 99 5.627 4.905 0.722 1
1 1156 . 13 1 1 A 99 99 ARG C C 99 176.394 175.930 0.464 1
1 1157 . 13 1 1 A 99 99 ARG CA C 99 53.705 56.156 -2.451 1
1 1158 . 13 1 1 A 99 99 ARG CB C 99 32.853 30.880 1.973 1
1 1161 . 13 1 1 A 99 99 ARG N N 99 132.343 129.403 2.940 1
1 1163 . 13 1 1 A 100 100 THR H H 100 8.808 8.254 0.554 1
1 1164 . 13 1 1 A 100 100 THR HA H 100 4.182 4.280 -0.098 1
1 1169 . 13 1 1 A 100 100 THR C C 100 175.465 174.374 1.091 1
1 1170 . 13 1 1 A 100 100 THR CA C 100 61.701 62.620 -0.919 1
1 1171 . 13 1 1 A 100 100 THR CB C 100 69.515 69.918 -0.403 1
1 1173 . 13 1 1 A 100 100 THR N N 100 116.147 118.299 -2.152 1
1 1174 . 13 1 1 A 101 101 MET H H 101 7.254 8.541 -1.287 1
1 1175 . 13 1 1 A 101 101 MET HA H 101 4.504 4.670 -0.166 1
1 1183 . 13 1 1 A 101 101 MET C C 101 174.574 175.393 -0.819 1
1 1184 . 13 1 1 A 101 101 MET CA C 101 54.324 54.043 0.281 1
1 1185 . 13 1 1 A 101 101 MET CB C 101 32.235 32.272 -0.037 1
1 1188 . 13 1 1 A 101 101 MET N N 101 117.475 121.221 -3.746 1
1 1189 . 13 1 1 A 102 102 PRO HA H 102 4.647 4.714 -0.067 1
1 1196 . 13 1 1 A 102 102 PRO CA C 102 62.553 62.268 0.285 1
1 1197 . 13 1 1 A 102 102 PRO CB C 102 32.011 30.050 1.961 1
1 1 . 14 1 1 A 6 6 SER HA H 6 4.535 4.879 -0.344 1
1 4 . 14 1 1 A 6 6 SER CA C 6 58.104 58.158 -0.054 1
1 5 . 14 1 1 A 6 6 SER CB C 6 64.201 64.041 0.160 1
1 6 . 14 1 1 A 7 7 GLY H H 7 7.998 8.421 -0.423 1
1 7 . 14 1 1 A 7 7 GLY HA2 H 7 3.978 4.049 -0.071 1
1 8 . 14 1 1 A 7 7 GLY HA3 H 7 3.515 4.082 -0.567 1
1 9 . 14 1 1 A 7 7 GLY CA C 7 44.050 44.386 -0.336 1
1 10 . 14 1 1 A 7 7 GLY N N 7 108.741 108.918 -0.177 1
1 11 . 14 1 1 A 8 8 PRO HA H 8 4.324 4.688 -0.364 1
1 18 . 14 1 1 A 8 8 PRO CA C 8 63.624 62.618 1.006 1
1 19 . 14 1 1 A 8 8 PRO CB C 8 32.235 32.817 -0.582 1
1 22 . 14 1 1 A 9 9 SER H H 9 8.323 8.365 -0.042 1
1 23 . 14 1 1 A 9 9 SER HA H 9 4.512 4.776 -0.264 1
1 26 . 14 1 1 A 9 9 SER C C 9 174.410 174.023 0.387 1
1 27 . 14 1 1 A 9 9 SER CA C 9 57.701 56.961 0.740 1
1 28 . 14 1 1 A 9 9 SER CB C 9 63.909 63.279 0.630 1
1 29 . 14 1 1 A 9 9 SER N N 9 115.299 112.749 2.550 1
1 30 . 14 1 1 A 10 10 GLY H H 10 7.439 7.576 -0.137 1
1 31 . 14 1 1 A 10 10 GLY HA2 H 10 4.383 4.136 0.247 1
1 32 . 14 1 1 A 10 10 GLY HA3 H 10 3.951 4.149 -0.198 1
1 33 . 14 1 1 A 10 10 GLY C C 10 172.743 172.466 0.277 1
1 34 . 14 1 1 A 10 10 GLY CA C 10 43.924 45.145 -1.221 1
1 35 . 14 1 1 A 10 10 GLY N N 10 107.797 110.286 -2.489 1
1 36 . 14 1 1 A 11 11 PHE H H 11 7.534 8.624 -1.090 1
1 37 . 14 1 1 A 11 11 PHE HA H 11 5.519 5.122 0.397 1
1 44 . 14 1 1 A 11 11 PHE C C 11 173.822 174.371 -0.549 1
1 45 . 14 1 1 A 11 11 PHE CA C 11 52.513 55.244 -2.731 1
1 46 . 14 1 1 A 11 11 PHE CB C 11 38.744 39.861 -1.117 1
1 51 . 14 1 1 A 11 11 PHE N N 11 115.246 120.699 -5.453 1
1 52 . 14 1 1 A 12 12 PRO HA H 12 4.285 4.709 -0.424 1
1 59 . 14 1 1 A 12 12 PRO C C 12 175.173 175.429 -0.256 1
1 60 . 14 1 1 A 12 12 PRO CA C 12 63.707 62.547 1.160 1
1 61 . 14 1 1 A 12 12 PRO CB C 12 32.344 33.442 -1.098 1
1 64 . 14 1 1 A 13 13 GLN H H 13 7.469 8.977 -1.508 1
1 65 . 14 1 1 A 13 13 GLN HA H 13 4.511 4.792 -0.281 1
1 72 . 14 1 1 A 13 13 GLN C C 13 175.349 175.132 0.217 1
1 73 . 14 1 1 A 13 13 GLN CA C 13 54.572 54.399 0.173 1
1 74 . 14 1 1 A 13 13 GLN CB C 13 32.848 31.615 1.233 1
1 76 . 14 1 1 A 13 13 GLN N N 13 120.555 118.608 1.947 1
1 78 . 14 1 1 A 14 14 ASN H H 14 8.978 8.869 0.109 1
1 79 . 14 1 1 A 14 14 ASN HA H 14 4.424 4.409 0.015 1
1 84 . 14 1 1 A 14 14 ASN C C 14 174.770 173.787 0.983 1
1 85 . 14 1 1 A 14 14 ASN CA C 14 54.079 54.071 0.008 1
1 86 . 14 1 1 A 14 14 ASN CB C 14 37.343 37.138 0.205 1
1 87 . 14 1 1 A 14 14 ASN N N 14 114.024 116.013 -1.989 1
1 89 . 14 1 1 A 15 15 LEU H H 15 8.437 7.978 0.459 1
1 90 . 14 1 1 A 15 15 LEU HA H 15 5.062 4.626 0.436 1
1 100 . 14 1 1 A 15 15 LEU C C 15 177.001 175.538 1.463 1
1 101 . 14 1 1 A 15 15 LEU CA C 15 56.667 54.939 1.728 1
1 102 . 14 1 1 A 15 15 LEU CB C 15 41.720 42.798 -1.078 1
1 106 . 14 1 1 A 15 15 LEU N N 15 121.843 121.677 0.166 1
1 107 . 14 1 1 A 16 16 HIS H H 16 9.492 8.249 1.243 1
1 108 . 14 1 1 A 16 16 HIS HA H 16 4.987 5.193 -0.206 1
1 113 . 14 1 1 A 16 16 HIS C C 16 171.333 171.678 -0.345 1
1 114 . 14 1 1 A 16 16 HIS CA C 16 55.153 54.593 0.560 1
1 115 . 14 1 1 A 16 16 HIS CB C 16 30.515 31.780 -1.265 1
1 118 . 14 1 1 A 16 16 HIS N N 16 121.636 121.390 0.246 1
1 119 . 14 1 1 A 17 17 VAL H H 17 8.606 8.756 -0.150 1
1 120 . 14 1 1 A 17 17 VAL HA H 17 4.663 4.405 0.258 1
1 128 . 14 1 1 A 17 17 VAL C C 17 177.740 176.207 1.533 1
1 129 . 14 1 1 A 17 17 VAL CA C 17 61.771 61.723 0.048 1
1 130 . 14 1 1 A 17 17 VAL CB C 17 33.476 33.234 0.242 1
1 133 . 14 1 1 A 17 17 VAL N N 17 120.868 119.582 1.286 1
1 134 . 14 1 1 A 18 18 THR H H 18 9.022 8.837 0.185 1
1 135 . 14 1 1 A 18 18 THR HA H 18 4.516 4.403 0.113 1
1 140 . 14 1 1 A 18 18 THR C C 18 174.913 174.666 0.247 1
1 141 . 14 1 1 A 18 18 THR CA C 18 61.472 63.532 -2.060 1
1 142 . 14 1 1 A 18 18 THR CB C 18 68.725 70.126 -1.401 1
1 144 . 14 1 1 A 18 18 THR N N 18 117.096 122.116 -5.020 1
1 145 . 14 1 1 A 19 19 GLY H H 19 7.443 7.385 0.058 1
1 146 . 14 1 1 A 19 19 GLY HA2 H 19 4.177 4.031 0.146 1
1 147 . 14 1 1 A 19 19 GLY HA3 H 19 3.909 4.039 -0.130 1
1 148 . 14 1 1 A 19 19 GLY C C 19 170.720 172.937 -2.217 1
1 149 . 14 1 1 A 19 19 GLY CA C 19 45.877 45.639 0.238 1
1 150 . 14 1 1 A 19 19 GLY N N 19 111.594 108.322 3.272 1
1 151 . 14 1 1 A 20 20 LEU H H 20 8.400 8.460 -0.060 1
1 152 . 14 1 1 A 20 20 LEU HA H 20 4.803 4.384 0.419 1
1 162 . 14 1 1 A 20 20 LEU C C 20 175.350 176.033 -0.683 1
1 163 . 14 1 1 A 20 20 LEU CA C 20 55.557 54.387 1.170 1
1 164 . 14 1 1 A 20 20 LEU CB C 20 46.554 43.363 3.191 1
1 168 . 14 1 1 A 20 20 LEU N N 20 121.661 121.041 0.620 1
1 169 . 14 1 1 A 21 21 THR H H 21 7.720 8.430 -0.710 1
1 170 . 14 1 1 A 21 21 THR HA H 21 4.900 4.658 0.242 1
1 175 . 14 1 1 A 21 21 THR C C 21 174.986 175.072 -0.086 1
1 176 . 14 1 1 A 21 21 THR CA C 21 61.049 60.911 0.138 1
1 177 . 14 1 1 A 21 21 THR CB C 21 71.081 73.089 -2.008 1
1 179 . 14 1 1 A 21 21 THR N N 21 112.043 112.290 -0.247 1
1 180 . 14 1 1 A 22 22 THR H H 22 7.782 8.598 -0.816 1
1 181 . 14 1 1 A 22 22 THR HA H 22 4.657 4.111 0.546 1
1 186 . 14 1 1 A 22 22 THR C C 22 174.110 176.182 -2.072 1
1 187 . 14 1 1 A 22 22 THR CA C 22 63.654 65.311 -1.657 1
1 188 . 14 1 1 A 22 22 THR CB C 22 69.834 68.545 1.289 1
1 190 . 14 1 1 A 22 22 THR N N 22 110.558 118.326 -7.768 1
1 191 . 14 1 1 A 23 23 SER H H 23 7.289 7.715 -0.426 1
1 192 . 14 1 1 A 23 23 SER HA H 23 4.717 4.857 -0.140 1
1 195 . 14 1 1 A 23 23 SER C C 23 173.680 174.284 -0.604 1
1 196 . 14 1 1 A 23 23 SER CA C 23 57.212 60.372 -3.160 1
1 197 . 14 1 1 A 23 23 SER CB C 23 66.012 64.439 1.573 1
1 198 . 14 1 1 A 23 23 SER N N 23 107.116 115.173 -8.057 1
1 199 . 14 1 1 A 24 24 THR H H 24 7.174 7.631 -0.457 1
1 200 . 14 1 1 A 24 24 THR HA H 24 5.377 4.788 0.589 1
1 205 . 14 1 1 A 24 24 THR C C 24 176.427 173.468 2.959 1
1 206 . 14 1 1 A 24 24 THR CA C 24 58.656 59.475 -0.819 1
1 207 . 14 1 1 A 24 24 THR CB C 24 73.018 71.540 1.478 1
1 209 . 14 1 1 A 24 24 THR N N 24 111.053 112.045 -0.992 1
1 210 . 14 1 1 A 25 25 THR H H 25 8.180 8.354 -0.174 1
1 211 . 14 1 1 A 25 25 THR HA H 25 4.608 4.881 -0.273 1
1 216 . 14 1 1 A 25 25 THR C C 25 170.451 173.592 -3.141 1
1 217 . 14 1 1 A 25 25 THR CA C 25 63.619 61.592 2.027 1
1 218 . 14 1 1 A 25 25 THR CB C 25 75.464 71.567 3.897 1
1 220 . 14 1 1 A 25 25 THR N N 25 117.664 115.963 1.701 1
1 221 . 14 1 1 A 26 26 GLU H H 26 9.197 8.708 0.489 1
1 222 . 14 1 1 A 26 26 GLU HA H 26 4.706 4.509 0.197 1
1 227 . 14 1 1 A 26 26 GLU C C 26 174.626 175.497 -0.871 1
1 228 . 14 1 1 A 26 26 GLU CA C 26 55.751 57.101 -1.350 1
1 229 . 14 1 1 A 26 26 GLU CB C 26 30.917 30.864 0.053 1
1 231 . 14 1 1 A 26 26 GLU N N 26 130.706 126.522 4.184 1
1 232 . 14 1 1 A 27 27 LEU H H 27 9.001 8.337 0.664 1
1 233 . 14 1 1 A 27 27 LEU HA H 27 5.273 5.258 0.015 1
1 243 . 14 1 1 A 27 27 LEU C C 27 176.770 175.585 1.185 1
1 244 . 14 1 1 A 27 27 LEU CA C 27 53.165 53.554 -0.389 1
1 245 . 14 1 1 A 27 27 LEU CB C 27 47.693 47.206 0.487 1
1 249 . 14 1 1 A 27 27 LEU N N 27 124.564 120.849 3.715 1
1 250 . 14 1 1 A 28 28 ALA H H 28 8.640 8.405 0.235 1
1 251 . 14 1 1 A 28 28 ALA HA H 28 4.577 4.639 -0.062 1
1 255 . 14 1 1 A 28 28 ALA C C 28 174.523 175.234 -0.711 1
1 256 . 14 1 1 A 28 28 ALA CA C 28 51.404 51.991 -0.587 1
1 257 . 14 1 1 A 28 28 ALA CB C 28 23.304 20.787 2.517 1
1 258 . 14 1 1 A 28 28 ALA N N 28 122.531 121.267 1.264 1
1 259 . 14 1 1 A 29 29 TRP H H 29 7.581 8.052 -0.471 1
1 260 . 14 1 1 A 29 29 TRP HA H 29 4.868 5.641 -0.773 1
1 269 . 14 1 1 A 29 29 TRP C C 29 172.280 173.230 -0.950 1
1 270 . 14 1 1 A 29 29 TRP CA C 29 56.948 54.293 2.655 1
1 271 . 14 1 1 A 29 29 TRP CB C 29 29.667 32.264 -2.597 1
1 277 . 14 1 1 A 29 29 TRP N N 29 115.551 121.146 -5.595 1
1 279 . 14 1 1 A 30 30 ASP H H 30 9.276 9.493 -0.217 1
1 280 . 14 1 1 A 30 30 ASP HA H 30 5.443 5.285 0.158 1
1 283 . 14 1 1 A 30 30 ASP C C 30 173.846 174.087 -0.241 1
1 284 . 14 1 1 A 30 30 ASP CA C 30 51.562 51.370 0.192 1
1 285 . 14 1 1 A 30 30 ASP CB C 30 42.533 43.394 -0.861 1
1 286 . 14 1 1 A 30 30 ASP N N 30 117.265 118.726 -1.461 1
1 287 . 14 1 1 A 31 31 PRO HA H 31 5.105 4.922 0.183 1
1 294 . 14 1 1 A 31 31 PRO CA C 31 61.905 61.601 0.304 1
1 295 . 14 1 1 A 31 31 PRO CB C 31 29.864 31.694 -1.830 1
1 298 . 14 1 1 A 32 32 PRO HA H 32 4.580 4.456 0.124 1
1 305 . 14 1 1 A 32 32 PRO CA C 32 62.036 62.760 -0.724 1
1 306 . 14 1 1 A 32 32 PRO CB C 32 30.840 31.932 -1.092 1
1 309 . 14 1 1 A 33 33 VAL H H 33 8.755 8.059 0.696 1
1 310 . 14 1 1 A 33 33 VAL HA H 33 3.994 4.237 -0.243 1
1 318 . 14 1 1 A 33 33 VAL CA C 33 62.553 61.948 0.605 1
1 319 . 14 1 1 A 33 33 VAL CB C 33 31.763 32.566 -0.803 1
1 322 . 14 1 1 A 33 33 VAL N N 33 120.113 119.394 0.719 1
1 323 . 14 1 1 A 34 34 LEU H H 34 8.469 8.854 -0.385 1
1 324 . 14 1 1 A 34 34 LEU HA H 34 3.768 3.913 -0.145 1
1 334 . 14 1 1 A 34 34 LEU CA C 34 58.809 57.809 1.000 1
1 335 . 14 1 1 A 34 34 LEU CB C 34 42.426 41.642 0.784 1
1 339 . 14 1 1 A 34 34 LEU N N 34 125.095 124.095 1.000 1
1 340 . 14 1 1 A 35 35 ALA H H 35 8.586 7.781 0.805 1
1 341 . 14 1 1 A 35 35 ALA HA H 35 4.171 4.171 0.000 1
1 345 . 14 1 1 A 35 35 ALA CA C 35 53.957 54.985 -1.028 1
1 346 . 14 1 1 A 35 35 ALA CB C 35 19.056 18.726 0.330 1
1 347 . 14 1 1 A 35 35 ALA N N 35 119.010 122.073 -3.063 1
1 348 . 14 1 1 A 36 36 GLU H H 36 8.070 7.661 0.409 1
1 349 . 14 1 1 A 36 36 GLU HA H 36 4.305 4.412 -0.107 1
1 354 . 14 1 1 A 36 36 GLU CA C 36 55.527 55.538 -0.011 1
1 355 . 14 1 1 A 36 36 GLU CB C 36 29.845 28.416 1.429 1
1 357 . 14 1 1 A 36 36 GLU N N 36 115.604 115.064 0.540 1
1 358 . 14 1 1 A 37 37 ARG HA H 37 3.758 4.879 -1.121 1
1 365 . 14 1 1 A 37 37 ARG CA C 37 60.050 54.282 5.768 1
1 366 . 14 1 1 A 37 37 ARG CB C 37 30.804 32.566 -1.762 1
1 369 . 14 1 1 A 37 37 ARG N N 37 122.198 123.040 -0.842 1
1 370 . 14 1 1 A 38 38 ASN H H 38 8.093 8.941 -0.848 1
1 371 . 14 1 1 A 38 38 ASN HA H 38 4.291 4.921 -0.630 1
1 376 . 14 1 1 A 38 38 ASN C C 38 174.619 174.579 0.040 1
1 377 . 14 1 1 A 38 38 ASN CA C 38 53.287 52.948 0.339 1
1 378 . 14 1 1 A 38 38 ASN CB C 38 37.482 39.008 -1.526 1
1 379 . 14 1 1 A 38 38 ASN N N 38 109.319 122.141 -12.822 1
1 381 . 14 1 1 A 39 39 GLY H H 39 7.575 7.511 0.064 1
1 382 . 14 1 1 A 39 39 GLY HA2 H 39 4.320 4.178 0.142 1
1 383 . 14 1 1 A 39 39 GLY HA3 H 39 3.697 4.180 -0.483 1
1 384 . 14 1 1 A 39 39 GLY C C 39 172.138 171.969 0.169 1
1 385 . 14 1 1 A 39 39 GLY CA C 39 43.766 45.702 -1.936 1
1 386 . 14 1 1 A 39 39 GLY N N 39 105.607 107.250 -1.643 1
1 387 . 14 1 1 A 40 40 ARG H H 40 8.180 8.336 -0.156 1
1 388 . 14 1 1 A 40 40 ARG HA H 40 4.333 5.121 -0.788 1
1 395 . 14 1 1 A 40 40 ARG C C 40 176.395 174.732 1.663 1
1 396 . 14 1 1 A 40 40 ARG CA C 40 55.453 54.030 1.423 1
1 397 . 14 1 1 A 40 40 ARG CB C 40 30.999 34.612 -3.613 1
1 400 . 14 1 1 A 40 40 ARG N N 40 119.566 122.031 -2.465 1
1 401 . 14 1 1 A 41 41 ILE H H 41 8.991 9.059 -0.068 1
1 402 . 14 1 1 A 41 41 ILE HA H 41 4.256 4.500 -0.244 1
1 412 . 14 1 1 A 41 41 ILE CA C 41 59.279 60.998 -1.719 1
1 413 . 14 1 1 A 41 41 ILE CB C 41 35.329 39.304 -3.975 1
1 417 . 14 1 1 A 41 41 ILE N N 41 127.226 122.499 4.727 1
1 418 . 14 1 1 A 42 42 ILE H H 42 8.721 8.839 -0.118 1
1 419 . 14 1 1 A 42 42 ILE HA H 42 4.475 4.537 -0.062 1
1 429 . 14 1 1 A 42 42 ILE C C 42 175.959 175.959 0.000 1
1 430 . 14 1 1 A 42 42 ILE CA C 42 61.208 61.185 0.023 1
1 431 . 14 1 1 A 42 42 ILE CB C 42 39.771 39.998 -0.227 1
1 435 . 14 1 1 A 42 42 ILE N N 42 122.018 120.055 1.963 1
1 436 . 14 1 1 A 43 43 SER H H 43 7.425 7.709 -0.284 1
1 437 . 14 1 1 A 43 43 SER HA H 43 4.555 4.949 -0.394 1
1 440 . 14 1 1 A 43 43 SER C C 43 170.232 171.491 -1.259 1
1 441 . 14 1 1 A 43 43 SER CA C 43 58.234 57.572 0.662 1
1 442 . 14 1 1 A 43 43 SER CB C 43 64.287 65.482 -1.195 1
1 443 . 14 1 1 A 43 43 SER N N 43 113.043 113.557 -0.514 1
1 444 . 14 1 1 A 44 44 TYR H H 44 9.297 8.598 0.699 1
1 445 . 14 1 1 A 44 44 TYR HA H 44 5.741 5.768 -0.027 1
1 452 . 14 1 1 A 44 44 TYR C C 44 175.735 175.228 0.507 1
1 453 . 14 1 1 A 44 44 TYR CA C 44 57.137 56.619 0.518 1
1 454 . 14 1 1 A 44 44 TYR CB C 44 42.410 43.308 -0.898 1
1 459 . 14 1 1 A 44 44 TYR N N 44 116.157 118.862 -2.705 1
1 460 . 14 1 1 A 45 45 THR H H 45 8.778 8.924 -0.146 1
1 461 . 14 1 1 A 45 45 THR HA H 45 5.094 5.140 -0.046 1
1 466 . 14 1 1 A 45 45 THR C C 45 173.026 173.498 -0.472 1
1 467 . 14 1 1 A 45 45 THR CA C 45 61.853 61.684 0.169 1
1 468 . 14 1 1 A 45 45 THR CB C 45 71.072 70.575 0.497 1
1 470 . 14 1 1 A 45 45 THR N N 45 114.801 116.284 -1.483 1
1 471 . 14 1 1 A 46 46 VAL H H 46 9.145 8.825 0.320 1
1 472 . 14 1 1 A 46 46 VAL HA H 46 4.244 4.674 -0.430 1
1 480 . 14 1 1 A 46 46 VAL C C 46 174.278 175.175 -0.897 1
1 481 . 14 1 1 A 46 46 VAL CA C 46 61.137 61.876 -0.739 1
1 482 . 14 1 1 A 46 46 VAL CB C 46 32.999 31.496 1.503 1
1 485 . 14 1 1 A 46 46 VAL N N 46 127.180 127.941 -0.761 1
1 486 . 14 1 1 A 47 47 VAL H H 47 9.041 8.600 0.441 1
1 487 . 14 1 1 A 47 47 VAL HA H 47 5.004 4.734 0.270 1
1 495 . 14 1 1 A 47 47 VAL C C 47 175.023 175.476 -0.453 1
1 496 . 14 1 1 A 47 47 VAL CA C 47 60.996 61.438 -0.442 1
1 497 . 14 1 1 A 47 47 VAL CB C 47 33.488 32.238 1.250 1
1 500 . 14 1 1 A 47 47 VAL N N 47 128.169 128.726 -0.557 1
1 501 . 14 1 1 A 48 48 PHE H H 48 9.169 9.132 0.037 1
1 502 . 14 1 1 A 48 48 PHE HA H 48 6.209 6.071 0.138 1
1 510 . 14 1 1 A 48 48 PHE C C 48 173.210 173.476 -0.266 1
1 511 . 14 1 1 A 48 48 PHE CA C 48 54.702 55.294 -0.592 1
1 512 . 14 1 1 A 48 48 PHE CB C 48 43.316 42.285 1.031 1
1 518 . 14 1 1 A 48 48 PHE N N 48 123.753 124.182 -0.429 1
1 519 . 14 1 1 A 49 49 ARG H H 49 8.693 8.661 0.032 1
1 520 . 14 1 1 A 49 49 ARG HA H 49 4.817 4.802 0.015 1
1 528 . 14 1 1 A 49 49 ARG C C 49 175.280 174.083 1.197 1
1 529 . 14 1 1 A 49 49 ARG CA C 49 54.801 54.668 0.133 1
1 530 . 14 1 1 A 49 49 ARG CB C 49 35.242 34.369 0.873 1
1 533 . 14 1 1 A 49 49 ARG N N 49 118.793 121.593 -2.800 1
1 535 . 14 1 1 A 50 50 ASP H H 50 8.820 8.871 -0.051 1
1 536 . 14 1 1 A 50 50 ASP HA H 50 4.029 4.348 -0.319 1
1 539 . 14 1 1 A 50 50 ASP C C 50 178.592 177.738 0.854 1
1 540 . 14 1 1 A 50 50 ASP CA C 50 53.498 54.285 -0.787 1
1 541 . 14 1 1 A 50 50 ASP CB C 50 40.543 40.348 0.195 1
1 542 . 14 1 1 A 50 50 ASP N N 50 128.720 125.011 3.709 1
1 543 . 14 1 1 A 51 51 ILE H H 51 8.315 8.400 -0.085 1
1 544 . 14 1 1 A 51 51 ILE HA H 51 3.892 3.832 0.060 1
1 554 . 14 1 1 A 51 51 ILE C C 51 176.905 176.468 0.437 1
1 555 . 14 1 1 A 51 51 ILE CA C 51 64.569 63.190 1.379 1
1 556 . 14 1 1 A 51 51 ILE CB C 51 38.126 37.929 0.197 1
1 560 . 14 1 1 A 51 51 ILE N N 51 124.642 124.767 -0.125 1
1 561 . 14 1 1 A 52 52 ASN H H 52 8.677 7.717 0.960 1
1 562 . 14 1 1 A 52 52 ASN HA H 52 4.760 4.773 -0.013 1
1 567 . 14 1 1 A 52 52 ASN C C 52 174.645 175.001 -0.356 1
1 568 . 14 1 1 A 52 52 ASN CA C 52 53.851 53.803 0.048 1
1 569 . 14 1 1 A 52 52 ASN CB C 52 39.032 39.520 -0.488 1
1 570 . 14 1 1 A 52 52 ASN N N 52 119.201 118.875 0.326 1
1 572 . 14 1 1 A 53 53 SER H H 53 8.409 8.116 0.293 1
1 573 . 14 1 1 A 53 53 SER HA H 53 4.663 4.915 -0.252 1
1 576 . 14 1 1 A 53 53 SER C C 53 173.861 173.468 0.393 1
1 577 . 14 1 1 A 53 53 SER CA C 53 56.702 57.647 -0.945 1
1 578 . 14 1 1 A 53 53 SER CB C 53 65.730 66.686 -0.956 1
1 579 . 14 1 1 A 53 53 SER N N 53 116.494 114.938 1.556 1
1 580 . 14 1 1 A 54 54 GLN H H 54 8.489 8.559 -0.070 1
1 581 . 14 1 1 A 54 54 GLN HA H 54 4.329 4.568 -0.239 1
1 588 . 14 1 1 A 54 54 GLN C C 54 175.789 175.183 0.606 1
1 589 . 14 1 1 A 54 54 GLN CA C 54 55.857 55.320 0.537 1
1 590 . 14 1 1 A 54 54 GLN CB C 54 28.847 28.997 -0.150 1
1 592 . 14 1 1 A 54 54 GLN N N 54 119.700 120.395 -0.695 1
1 594 . 14 1 1 A 55 55 GLN H H 55 8.108 7.681 0.427 1
1 595 . 14 1 1 A 55 55 GLN HA H 55 4.269 4.507 -0.238 1
1 602 . 14 1 1 A 55 55 GLN C C 55 174.076 174.777 -0.701 1
1 603 . 14 1 1 A 55 55 GLN CA C 55 55.689 55.086 0.603 1
1 604 . 14 1 1 A 55 55 GLN CB C 55 29.352 29.463 -0.111 1
1 606 . 14 1 1 A 55 55 GLN N N 55 120.355 121.566 -1.211 1
1 608 . 14 1 1 A 56 56 GLU H H 56 8.603 8.774 -0.171 1
1 609 . 14 1 1 A 56 56 GLU HA H 56 4.372 4.743 -0.371 1
1 614 . 14 1 1 A 56 56 GLU C C 56 175.058 175.334 -0.276 1
1 615 . 14 1 1 A 56 56 GLU CA C 56 55.594 56.028 -0.434 1
1 616 . 14 1 1 A 56 56 GLU CB C 56 31.640 30.885 0.755 1
1 618 . 14 1 1 A 56 56 GLU N N 56 126.250 128.723 -2.473 1
1 619 . 14 1 1 A 57 57 LEU H H 57 8.520 7.978 0.542 1
1 620 . 14 1 1 A 57 57 LEU HA H 57 4.458 4.705 -0.247 1
1 630 . 14 1 1 A 57 57 LEU C C 57 174.850 174.921 -0.071 1
1 631 . 14 1 1 A 57 57 LEU CA C 57 53.780 53.252 0.528 1
1 632 . 14 1 1 A 57 57 LEU CB C 57 43.903 45.871 -1.968 1
1 636 . 14 1 1 A 57 57 LEU N N 57 127.205 126.140 1.065 1
1 637 . 14 1 1 A 58 58 GLN H H 58 7.992 8.621 -0.629 1
1 638 . 14 1 1 A 58 58 GLN HA H 58 5.865 5.348 0.517 1
1 645 . 14 1 1 A 58 58 GLN C C 58 175.948 174.654 1.294 1
1 646 . 14 1 1 A 58 58 GLN CA C 58 53.944 54.516 -0.572 1
1 647 . 14 1 1 A 58 58 GLN CB C 58 32.786 33.516 -0.730 1
1 649 . 14 1 1 A 58 58 GLN N N 58 113.562 120.507 -6.945 1
1 651 . 14 1 1 A 59 59 ASN H H 59 9.073 8.887 0.186 1
1 652 . 14 1 1 A 59 59 ASN HA H 59 5.068 5.509 -0.441 1
1 657 . 14 1 1 A 59 59 ASN C C 59 172.790 174.213 -1.423 1
1 658 . 14 1 1 A 59 59 ASN CA C 59 53.023 51.619 1.404 1
1 659 . 14 1 1 A 59 59 ASN CB C 59 45.541 42.783 2.758 1
1 660 . 14 1 1 A 59 59 ASN N N 59 119.984 118.139 1.845 1
1 662 . 14 1 1 A 60 60 ILE H H 60 8.491 8.455 0.036 1
1 663 . 14 1 1 A 60 60 ILE HA H 60 5.147 5.022 0.125 1
1 673 . 14 1 1 A 60 60 ILE C C 60 175.088 174.568 0.520 1
1 674 . 14 1 1 A 60 60 ILE CA C 60 59.853 59.907 -0.054 1
1 675 . 14 1 1 A 60 60 ILE CB C 60 40.891 41.689 -0.798 1
1 679 . 14 1 1 A 60 60 ILE N N 60 119.480 120.425 -0.945 1
1 680 . 14 1 1 A 61 61 THR H H 61 8.755 8.358 0.397 1
1 681 . 14 1 1 A 61 61 THR HA H 61 4.976 5.127 -0.151 1
1 686 . 14 1 1 A 61 61 THR C C 61 172.097 173.317 -1.220 1
1 687 . 14 1 1 A 61 61 THR CA C 61 59.905 60.452 -0.547 1
1 688 . 14 1 1 A 61 61 THR CB C 61 69.505 70.853 -1.348 1
1 690 . 14 1 1 A 61 61 THR N N 61 118.083 118.761 -0.678 1
1 691 . 14 1 1 A 62 62 THR H H 62 8.325 8.483 -0.158 1
1 692 . 14 1 1 A 62 62 THR HA H 62 4.641 4.568 0.073 1
1 697 . 14 1 1 A 62 62 THR C C 62 174.386 173.044 1.342 1
1 698 . 14 1 1 A 62 62 THR CA C 62 62.440 62.065 0.375 1
1 699 . 14 1 1 A 62 62 THR CB C 62 69.355 68.837 0.518 1
1 701 . 14 1 1 A 62 62 THR N N 62 115.077 117.468 -2.391 1
1 702 . 14 1 1 A 63 63 ASP H H 63 8.611 7.341 1.270 1
1 703 . 14 1 1 A 63 63 ASP HA H 63 4.962 5.055 -0.093 1
1 706 . 14 1 1 A 63 63 ASP C C 63 172.906 176.492 -3.586 1
1 707 . 14 1 1 A 63 63 ASP CA C 63 52.981 53.119 -0.138 1
1 708 . 14 1 1 A 63 63 ASP CB C 63 43.465 44.612 -1.147 1
1 709 . 14 1 1 A 63 63 ASP N N 63 125.713 120.921 4.792 1
1 710 . 14 1 1 A 64 64 THR H H 64 7.925 8.315 -0.390 1
1 711 . 14 1 1 A 64 64 THR HA H 64 3.088 3.741 -0.653 1
1 716 . 14 1 1 A 64 64 THR C C 64 172.176 171.996 0.180 1
1 717 . 14 1 1 A 64 64 THR CA C 64 59.078 61.479 -2.401 1
1 718 . 14 1 1 A 64 64 THR CB C 64 66.137 68.184 -2.047 1
1 720 . 14 1 1 A 64 64 THR N N 64 104.287 112.679 -8.392 1
1 721 . 14 1 1 A 65 65 ARG H H 65 6.387 7.320 -0.933 1
1 722 . 14 1 1 A 65 65 ARG HA H 65 4.221 3.683 0.538 1
1 729 . 14 1 1 A 65 65 ARG C C 65 174.862 174.262 0.600 1
1 730 . 14 1 1 A 65 65 ARG CA C 65 54.132 53.503 0.629 1
1 731 . 14 1 1 A 65 65 ARG CB C 65 32.928 33.686 -0.758 1
1 734 . 14 1 1 A 65 65 ARG N N 65 115.062 118.576 -3.514 1
1 735 . 14 1 1 A 66 66 PHE H H 66 8.177 8.930 -0.753 1
1 736 . 14 1 1 A 66 66 PHE HA H 66 4.373 4.912 -0.539 1
1 744 . 14 1 1 A 66 66 PHE C C 66 172.804 172.975 -0.171 1
1 745 . 14 1 1 A 66 66 PHE CA C 66 59.536 58.198 1.338 1
1 746 . 14 1 1 A 66 66 PHE CB C 66 44.469 41.737 2.732 1
1 752 . 14 1 1 A 66 66 PHE N N 66 119.991 119.266 0.725 1
1 753 . 14 1 1 A 67 67 THR H H 67 7.332 7.391 -0.059 1
1 754 . 14 1 1 A 67 67 THR HA H 67 4.628 5.124 -0.496 1
1 759 . 14 1 1 A 67 67 THR C C 67 172.910 173.930 -1.020 1
1 760 . 14 1 1 A 67 67 THR CA C 67 61.261 61.079 0.182 1
1 761 . 14 1 1 A 67 67 THR CB C 67 69.260 71.244 -1.984 1
1 763 . 14 1 1 A 67 67 THR N N 67 123.294 118.071 5.223 1
1 764 . 14 1 1 A 68 68 LEU H H 68 8.776 9.176 -0.400 1
1 765 . 14 1 1 A 68 68 LEU HA H 68 4.192 4.265 -0.073 1
1 775 . 14 1 1 A 68 68 LEU C C 68 176.337 175.850 0.487 1
1 776 . 14 1 1 A 68 68 LEU CA C 68 54.394 54.716 -0.322 1
1 777 . 14 1 1 A 68 68 LEU CB C 68 42.394 42.309 0.085 1
1 781 . 14 1 1 A 68 68 LEU N N 68 126.969 127.798 -0.829 1
1 782 . 14 1 1 A 69 69 THR H H 69 7.921 8.257 -0.336 1
1 783 . 14 1 1 A 69 69 THR HA H 69 4.814 4.636 0.178 1
1 788 . 14 1 1 A 69 69 THR C C 69 173.856 173.586 0.270 1
1 789 . 14 1 1 A 69 69 THR CA C 69 59.694 60.612 -0.918 1
1 790 . 14 1 1 A 69 69 THR CB C 69 71.829 71.544 0.285 1
1 792 . 14 1 1 A 69 69 THR N N 69 111.246 111.469 -0.223 1
1 793 . 14 1 1 A 70 70 GLY H H 70 8.894 8.667 0.227 1
1 794 . 14 1 1 A 70 70 GLY HA2 H 70 3.930 3.863 0.067 1
1 795 . 14 1 1 A 70 70 GLY HA3 H 70 3.809 3.894 -0.085 1
1 796 . 14 1 1 A 70 70 GLY C C 70 175.589 174.803 0.786 1
1 797 . 14 1 1 A 70 70 GLY CA C 70 46.178 46.678 -0.500 1
1 798 . 14 1 1 A 70 70 GLY N N 70 107.415 112.446 -5.031 1
1 799 . 14 1 1 A 71 71 LEU H H 71 8.341 8.012 0.329 1
1 800 . 14 1 1 A 71 71 LEU HA H 71 4.195 4.681 -0.486 1
1 810 . 14 1 1 A 71 71 LEU C C 71 175.422 175.932 -0.510 1
1 811 . 14 1 1 A 71 71 LEU CA C 71 53.429 53.580 -0.151 1
1 812 . 14 1 1 A 71 71 LEU CB C 71 40.650 43.267 -2.617 1
1 816 . 14 1 1 A 71 71 LEU N N 71 118.621 120.988 -2.367 1
1 817 . 14 1 1 A 72 72 LYS H H 72 8.298 9.286 -0.988 1
1 818 . 14 1 1 A 72 72 LYS HA H 72 4.631 4.505 0.126 1
1 827 . 14 1 1 A 72 72 LYS C C 72 174.599 175.610 -1.011 1
1 828 . 14 1 1 A 72 72 LYS CA C 72 53.851 54.191 -0.340 1
1 829 . 14 1 1 A 72 72 LYS CB C 72 33.619 33.761 -0.142 1
1 833 . 14 1 1 A 72 72 LYS N N 72 121.340 122.100 -0.760 1
1 834 . 14 1 1 A 73 73 PRO HA H 73 5.086 4.723 0.363 1
1 841 . 14 1 1 A 73 73 PRO C C 73 178.198 177.471 0.727 1
1 842 . 14 1 1 A 73 73 PRO CA C 73 62.897 63.287 -0.390 1
1 843 . 14 1 1 A 73 73 PRO CB C 73 33.198 32.238 0.960 1
1 846 . 14 1 1 A 74 74 ASP H H 74 7.537 9.046 -1.509 1
1 847 . 14 1 1 A 74 74 ASP HA H 74 4.290 4.287 0.003 1
1 850 . 14 1 1 A 74 74 ASP C C 74 174.390 174.746 -0.356 1
1 851 . 14 1 1 A 74 74 ASP CA C 74 54.343 55.129 -0.786 1
1 852 . 14 1 1 A 74 74 ASP CB C 74 41.393 39.653 1.740 1
1 853 . 14 1 1 A 74 74 ASP N N 74 126.834 121.404 5.430 1
1 854 . 14 1 1 A 75 75 THR H H 75 8.197 7.247 0.950 1
1 855 . 14 1 1 A 75 75 THR HA H 75 4.316 4.931 -0.615 1
1 860 . 14 1 1 A 75 75 THR C C 75 172.076 173.668 -1.592 1
1 861 . 14 1 1 A 75 75 THR CA C 75 63.087 61.216 1.871 1
1 862 . 14 1 1 A 75 75 THR CB C 75 71.822 72.544 -0.722 1
1 864 . 14 1 1 A 75 75 THR N N 75 113.905 112.309 1.596 1
1 865 . 14 1 1 A 76 76 THR H H 76 8.606 8.850 -0.244 1
1 866 . 14 1 1 A 76 76 THR HA H 76 4.641 4.438 0.203 1
1 871 . 14 1 1 A 76 76 THR C C 76 172.308 173.976 -1.668 1
1 872 . 14 1 1 A 76 76 THR CA C 76 63.197 63.460 -0.263 1
1 873 . 14 1 1 A 76 76 THR CB C 76 68.333 69.093 -0.760 1
1 875 . 14 1 1 A 76 76 THR N N 76 124.170 121.255 2.915 1
1 876 . 14 1 1 A 77 77 TYR H H 77 9.230 8.917 0.313 1
1 877 . 14 1 1 A 77 77 TYR HA H 77 5.084 5.076 0.008 1
1 884 . 14 1 1 A 77 77 TYR C C 77 174.065 174.429 -0.364 1
1 885 . 14 1 1 A 77 77 TYR CA C 77 57.443 56.318 1.125 1
1 886 . 14 1 1 A 77 77 TYR CB C 77 41.115 39.952 1.163 1
1 891 . 14 1 1 A 77 77 TYR N N 77 125.729 126.404 -0.675 1
1 892 . 14 1 1 A 78 78 ASP H H 78 9.222 9.169 0.053 1
1 893 . 14 1 1 A 78 78 ASP HA H 78 5.288 4.766 0.522 1
1 896 . 14 1 1 A 78 78 ASP C C 78 176.268 174.767 1.501 1
1 897 . 14 1 1 A 78 78 ASP CA C 78 53.565 54.111 -0.546 1
1 898 . 14 1 1 A 78 78 ASP CB C 78 44.874 40.707 4.167 1
1 899 . 14 1 1 A 78 78 ASP N N 78 124.016 125.650 -1.634 1
1 900 . 14 1 1 A 79 79 ILE H H 79 9.210 8.741 0.469 1
1 901 . 14 1 1 A 79 79 ILE HA H 79 5.027 5.431 -0.404 1
1 911 . 14 1 1 A 79 79 ILE C C 79 172.968 174.771 -1.803 1
1 912 . 14 1 1 A 79 79 ILE CA C 79 61.102 59.765 1.337 1
1 913 . 14 1 1 A 79 79 ILE CB C 79 41.830 40.004 1.826 1
1 917 . 14 1 1 A 79 79 ILE N N 79 127.527 126.924 0.603 1
1 918 . 14 1 1 A 80 80 LYS H H 80 8.930 9.344 -0.414 1
1 919 . 14 1 1 A 80 80 LYS HA H 80 4.282 5.081 -0.799 1
1 928 . 14 1 1 A 80 80 LYS C C 80 173.716 174.296 -0.580 1
1 929 . 14 1 1 A 80 80 LYS CA C 80 54.749 54.032 0.717 1
1 930 . 14 1 1 A 80 80 LYS CB C 80 37.864 36.654 1.210 1
1 934 . 14 1 1 A 80 80 LYS N N 80 122.620 124.490 -1.870 1
1 935 . 14 1 1 A 81 81 VAL H H 81 8.070 8.783 -0.713 1
1 936 . 14 1 1 A 81 81 VAL HA H 81 5.365 4.991 0.374 1
1 944 . 14 1 1 A 81 81 VAL C C 81 174.099 173.512 0.587 1
1 945 . 14 1 1 A 81 81 VAL CA C 81 59.228 59.426 -0.198 1
1 946 . 14 1 1 A 81 81 VAL CB C 81 36.108 35.024 1.084 1
1 949 . 14 1 1 A 81 81 VAL N N 81 115.045 119.237 -4.192 1
1 950 . 14 1 1 A 82 82 ARG H H 82 8.733 8.886 -0.153 1
1 951 . 14 1 1 A 82 82 ARG HA H 82 4.984 5.132 -0.148 1
1 959 . 14 1 1 A 82 82 ARG C C 82 172.874 174.201 -1.327 1
1 960 . 14 1 1 A 82 82 ARG CA C 82 53.552 54.721 -1.169 1
1 961 . 14 1 1 A 82 82 ARG CB C 82 34.521 33.964 0.557 1
1 964 . 14 1 1 A 82 82 ARG N N 82 122.032 123.396 -1.364 1
1 966 . 14 1 1 A 83 83 ALA H H 83 9.221 8.513 0.708 1
1 967 . 14 1 1 A 83 83 ALA HA H 83 5.132 4.275 0.857 1
1 971 . 14 1 1 A 83 83 ALA C C 83 174.998 176.636 -1.638 1
1 972 . 14 1 1 A 83 83 ALA CA C 83 50.383 51.505 -1.122 1
1 973 . 14 1 1 A 83 83 ALA CB C 83 23.472 20.311 3.161 1
1 974 . 14 1 1 A 83 83 ALA N N 83 124.044 124.130 -0.086 1
1 975 . 14 1 1 A 84 84 TRP H H 84 8.387 8.771 -0.384 1
1 976 . 14 1 1 A 84 84 TRP HA H 84 5.020 5.433 -0.413 1
1 985 . 14 1 1 A 84 84 TRP C C 84 177.430 175.734 1.696 1
1 986 . 14 1 1 A 84 84 TRP CA C 84 56.807 56.098 0.709 1
1 987 . 14 1 1 A 84 84 TRP CB C 84 31.235 32.604 -1.369 1
1 993 . 14 1 1 A 84 84 TRP N N 84 117.779 120.431 -2.652 1
1 995 . 14 1 1 A 85 85 THR H H 85 8.698 9.025 -0.327 1
1 996 . 14 1 1 A 85 85 THR HA H 85 5.190 5.169 0.021 1
1 1001 . 14 1 1 A 85 85 THR C C 85 176.429 175.836 0.593 1
1 1002 . 14 1 1 A 85 85 THR CA C 85 59.958 60.052 -0.094 1
1 1003 . 14 1 1 A 85 85 THR CB C 85 72.646 71.898 0.748 1
1 1005 . 14 1 1 A 85 85 THR N N 85 111.404 113.279 -1.875 1
1 1006 . 14 1 1 A 86 86 SER H H 86 9.765 8.995 0.770 1
1 1007 . 14 1 1 A 86 86 SER HA H 86 4.242 4.195 0.047 1
1 1010 . 14 1 1 A 86 86 SER C C 86 174.834 176.440 -1.606 1
1 1011 . 14 1 1 A 86 86 SER CA C 86 61.014 61.446 -0.432 1
1 1012 . 14 1 1 A 86 86 SER CB C 86 62.807 62.702 0.105 1
1 1013 . 14 1 1 A 86 86 SER N N 86 115.745 116.085 -0.340 1
1 1014 . 14 1 1 A 87 87 LYS H H 87 7.947 7.803 0.144 1
1 1015 . 14 1 1 A 87 87 LYS HA H 87 4.426 4.239 0.187 1
1 1024 . 14 1 1 A 87 87 LYS C C 87 176.373 176.866 -0.493 1
1 1025 . 14 1 1 A 87 87 LYS CA C 87 55.857 58.496 -2.639 1
1 1026 . 14 1 1 A 87 87 LYS CB C 87 33.386 33.230 0.156 1
1 1030 . 14 1 1 A 87 87 LYS N N 87 118.254 119.734 -1.480 1
1 1031 . 14 1 1 A 88 88 GLY H H 88 7.400 6.961 0.439 1
1 1032 . 14 1 1 A 88 88 GLY HA2 H 88 4.446 4.089 0.357 1
1 1033 . 14 1 1 A 88 88 GLY HA3 H 88 3.990 4.234 -0.244 1
1 1034 . 14 1 1 A 88 88 GLY C C 88 171.366 172.039 -0.673 1
1 1035 . 14 1 1 A 88 88 GLY CA C 88 45.006 46.194 -1.188 1
1 1036 . 14 1 1 A 88 88 GLY N N 88 106.086 104.225 1.861 1
1 1037 . 14 1 1 A 89 89 SER H H 89 8.048 8.476 -0.428 1
1 1038 . 14 1 1 A 89 89 SER HA H 89 3.899 4.596 -0.697 1
1 1041 . 14 1 1 A 89 89 SER CA C 89 56.522 55.637 0.885 1
1 1042 . 14 1 1 A 89 89 SER CB C 89 63.965 65.146 -1.181 1
1 1043 . 14 1 1 A 89 89 SER N N 89 113.549 116.738 -3.189 1
1 1044 . 14 1 1 A 90 90 GLY H H 90 8.282 7.868 0.414 1
1 1045 . 14 1 1 A 90 90 GLY HA2 H 90 4.637 4.038 0.599 1
1 1046 . 14 1 1 A 90 90 GLY HA3 H 90 3.696 4.049 -0.353 1
1 1047 . 14 1 1 A 90 90 GLY CA C 90 44.399 44.390 0.009 1
1 1048 . 14 1 1 A 90 90 GLY N N 90 109.030 106.672 2.358 1
1 1049 . 14 1 1 A 91 91 PRO HA H 91 4.448 4.562 -0.114 1
1 1056 . 14 1 1 A 91 91 PRO C C 91 177.760 175.094 2.666 1
1 1057 . 14 1 1 A 91 91 PRO CA C 91 62.229 62.678 -0.449 1
1 1058 . 14 1 1 A 91 91 PRO CB C 91 32.367 32.976 -0.609 1
1 1061 . 14 1 1 A 92 92 LEU H H 92 8.373 8.372 0.001 1
1 1062 . 14 1 1 A 92 92 LEU HA H 92 4.110 4.723 -0.613 1
1 1072 . 14 1 1 A 92 92 LEU C C 92 176.841 176.516 0.325 1
1 1073 . 14 1 1 A 92 92 LEU CA C 92 55.163 53.523 1.640 1
1 1074 . 14 1 1 A 92 92 LEU CB C 92 43.188 43.350 -0.162 1
1 1078 . 14 1 1 A 92 92 LEU N N 92 121.096 122.132 -1.036 1
1 1079 . 14 1 1 A 93 93 SER H H 93 8.629 9.199 -0.570 1
1 1080 . 14 1 1 A 93 93 SER HA H 93 3.683 4.368 -0.685 1
1 1083 . 14 1 1 A 93 93 SER C C 93 171.637 173.626 -1.989 1
1 1084 . 14 1 1 A 93 93 SER CA C 93 56.900 56.922 -0.022 1
1 1085 . 14 1 1 A 93 93 SER CB C 93 62.923 62.779 0.144 1
1 1086 . 14 1 1 A 93 93 SER N N 93 116.072 121.080 -5.008 1
1 1087 . 14 1 1 A 94 94 PRO HA H 94 4.330 4.517 -0.187 1
1 1094 . 14 1 1 A 94 94 PRO C C 94 178.093 177.174 0.919 1
1 1095 . 14 1 1 A 94 94 PRO CA C 94 63.309 62.653 0.656 1
1 1096 . 14 1 1 A 94 94 PRO CB C 94 31.463 31.769 -0.306 1
1 1099 . 14 1 1 A 95 95 SER H H 95 8.722 8.349 0.373 1
1 1100 . 14 1 1 A 95 95 SER HA H 95 4.923 4.909 0.014 1
1 1103 . 14 1 1 A 95 95 SER C C 95 176.215 175.344 0.871 1
1 1104 . 14 1 1 A 95 95 SER CA C 95 58.955 57.981 0.974 1
1 1105 . 14 1 1 A 95 95 SER CB C 95 64.884 64.245 0.639 1
1 1106 . 14 1 1 A 95 95 SER N N 95 122.184 115.106 7.078 1
1 1107 . 14 1 1 A 96 96 ILE H H 96 8.915 8.479 0.436 1
1 1108 . 14 1 1 A 96 96 ILE HA H 96 4.609 4.494 0.115 1
1 1118 . 14 1 1 A 96 96 ILE C C 96 174.546 176.334 -1.788 1
1 1119 . 14 1 1 A 96 96 ILE CA C 96 59.782 61.163 -1.381 1
1 1120 . 14 1 1 A 96 96 ILE CB C 96 40.995 39.810 1.185 1
1 1124 . 14 1 1 A 96 96 ILE N N 96 115.463 119.627 -4.164 1
1 1125 . 14 1 1 A 97 97 GLN H H 97 8.292 7.833 0.459 1
1 1126 . 14 1 1 A 97 97 GLN HA H 97 5.849 3.930 1.919 1
1 1133 . 14 1 1 A 97 97 GLN C C 97 176.173 174.574 1.599 1
1 1134 . 14 1 1 A 97 97 GLN CA C 97 54.361 56.918 -2.557 1
1 1135 . 14 1 1 A 97 97 GLN CB C 97 31.102 26.467 4.635 1
1 1137 . 14 1 1 A 97 97 GLN N N 97 117.686 118.048 -0.362 1
1 1139 . 14 1 1 A 98 98 SER H H 98 8.751 7.831 0.920 1
1 1140 . 14 1 1 A 98 98 SER HA H 98 4.618 4.595 0.023 1
1 1143 . 14 1 1 A 98 98 SER C C 98 172.310 173.473 -1.163 1
1 1144 . 14 1 1 A 98 98 SER CA C 98 57.019 58.081 -1.062 1
1 1145 . 14 1 1 A 98 98 SER CB C 98 64.588 63.350 1.238 1
1 1146 . 14 1 1 A 98 98 SER N N 98 115.969 113.234 2.735 1
1 1147 . 14 1 1 A 99 99 ARG H H 99 8.519 8.720 -0.201 1
1 1148 . 14 1 1 A 99 99 ARG HA H 99 5.627 5.122 0.505 1
1 1156 . 14 1 1 A 99 99 ARG C C 99 176.394 175.891 0.503 1
1 1157 . 14 1 1 A 99 99 ARG CA C 99 53.705 55.924 -2.219 1
1 1158 . 14 1 1 A 99 99 ARG CB C 99 32.853 31.093 1.760 1
1 1161 . 14 1 1 A 99 99 ARG N N 99 132.343 129.629 2.714 1
1 1163 . 14 1 1 A 100 100 THR H H 100 8.808 8.274 0.534 1
1 1164 . 14 1 1 A 100 100 THR HA H 100 4.182 4.292 -0.110 1
1 1169 . 14 1 1 A 100 100 THR C C 100 175.465 174.433 1.032 1
1 1170 . 14 1 1 A 100 100 THR CA C 100 61.701 62.572 -0.871 1
1 1171 . 14 1 1 A 100 100 THR CB C 100 69.515 70.011 -0.496 1
1 1173 . 14 1 1 A 100 100 THR N N 100 116.147 118.468 -2.321 1
1 1174 . 14 1 1 A 101 101 MET H H 101 7.254 8.513 -1.259 1
1 1175 . 14 1 1 A 101 101 MET HA H 101 4.504 4.668 -0.164 1
1 1183 . 14 1 1 A 101 101 MET C C 101 174.574 175.367 -0.793 1
1 1184 . 14 1 1 A 101 101 MET CA C 101 54.324 54.031 0.293 1
1 1185 . 14 1 1 A 101 101 MET CB C 101 32.235 32.456 -0.221 1
1 1188 . 14 1 1 A 101 101 MET N N 101 117.475 121.506 -4.031 1
1 1189 . 14 1 1 A 102 102 PRO HA H 102 4.647 4.719 -0.072 1
1 1196 . 14 1 1 A 102 102 PRO CA C 102 62.553 62.463 0.090 1
1 1197 . 14 1 1 A 102 102 PRO CB C 102 32.011 30.880 1.131 1
1 1 . 15 1 1 A 6 6 SER HA H 6 4.535 4.353 0.182 1
1 4 . 15 1 1 A 6 6 SER CA C 6 58.104 59.506 -1.402 1
1 5 . 15 1 1 A 6 6 SER CB C 6 64.201 64.151 0.050 1
1 6 . 15 1 1 A 7 7 GLY H H 7 7.998 8.558 -0.560 1
1 7 . 15 1 1 A 7 7 GLY HA2 H 7 3.978 4.047 -0.069 1
1 8 . 15 1 1 A 7 7 GLY HA3 H 7 3.515 4.080 -0.565 1
1 9 . 15 1 1 A 7 7 GLY CA C 7 44.050 44.331 -0.281 1
1 10 . 15 1 1 A 7 7 GLY N N 7 108.741 109.961 -1.220 1
1 11 . 15 1 1 A 8 8 PRO HA H 8 4.324 4.659 -0.335 1
1 18 . 15 1 1 A 8 8 PRO CA C 8 63.624 62.597 1.027 1
1 19 . 15 1 1 A 8 8 PRO CB C 8 32.235 32.681 -0.446 1
1 22 . 15 1 1 A 9 9 SER H H 9 8.323 8.589 -0.266 1
1 23 . 15 1 1 A 9 9 SER HA H 9 4.512 4.703 -0.191 1
1 26 . 15 1 1 A 9 9 SER C C 9 174.410 173.363 1.047 1
1 27 . 15 1 1 A 9 9 SER CA C 9 57.701 57.203 0.498 1
1 28 . 15 1 1 A 9 9 SER CB C 9 63.909 64.097 -0.188 1
1 29 . 15 1 1 A 9 9 SER N N 9 115.299 116.877 -1.578 1
1 30 . 15 1 1 A 10 10 GLY H H 10 7.439 7.525 -0.086 1
1 31 . 15 1 1 A 10 10 GLY HA2 H 10 4.383 3.984 0.399 1
1 32 . 15 1 1 A 10 10 GLY HA3 H 10 3.951 4.010 -0.059 1
1 33 . 15 1 1 A 10 10 GLY C C 10 172.743 173.007 -0.264 1
1 34 . 15 1 1 A 10 10 GLY CA C 10 43.924 45.418 -1.494 1
1 35 . 15 1 1 A 10 10 GLY N N 10 107.797 109.097 -1.300 1
1 36 . 15 1 1 A 11 11 PHE H H 11 7.534 8.731 -1.197 1
1 37 . 15 1 1 A 11 11 PHE HA H 11 5.519 4.978 0.541 1
1 44 . 15 1 1 A 11 11 PHE C C 11 173.822 174.839 -1.017 1
1 45 . 15 1 1 A 11 11 PHE CA C 11 52.513 55.133 -2.620 1
1 46 . 15 1 1 A 11 11 PHE CB C 11 38.744 38.553 0.191 1
1 51 . 15 1 1 A 11 11 PHE N N 11 115.246 122.968 -7.722 1
1 52 . 15 1 1 A 12 12 PRO HA H 12 4.285 4.732 -0.447 1
1 59 . 15 1 1 A 12 12 PRO C C 12 175.173 175.402 -0.229 1
1 60 . 15 1 1 A 12 12 PRO CA C 12 63.707 62.569 1.138 1
1 61 . 15 1 1 A 12 12 PRO CB C 12 32.344 33.329 -0.985 1
1 64 . 15 1 1 A 13 13 GLN H H 13 7.469 8.253 -0.784 1
1 65 . 15 1 1 A 13 13 GLN HA H 13 4.511 4.814 -0.303 1
1 72 . 15 1 1 A 13 13 GLN C C 13 175.349 175.157 0.192 1
1 73 . 15 1 1 A 13 13 GLN CA C 13 54.572 54.383 0.189 1
1 74 . 15 1 1 A 13 13 GLN CB C 13 32.848 31.572 1.276 1
1 76 . 15 1 1 A 13 13 GLN N N 13 120.555 119.007 1.548 1
1 78 . 15 1 1 A 14 14 ASN H H 14 8.978 8.886 0.092 1
1 79 . 15 1 1 A 14 14 ASN HA H 14 4.424 4.442 -0.018 1
1 84 . 15 1 1 A 14 14 ASN C C 14 174.770 173.852 0.918 1
1 85 . 15 1 1 A 14 14 ASN CA C 14 54.079 54.155 -0.076 1
1 86 . 15 1 1 A 14 14 ASN CB C 14 37.343 37.114 0.229 1
1 87 . 15 1 1 A 14 14 ASN N N 14 114.024 116.082 -2.058 1
1 89 . 15 1 1 A 15 15 LEU H H 15 8.437 7.988 0.449 1
1 90 . 15 1 1 A 15 15 LEU HA H 15 5.062 4.562 0.500 1
1 100 . 15 1 1 A 15 15 LEU C C 15 177.001 175.523 1.478 1
1 101 . 15 1 1 A 15 15 LEU CA C 15 56.667 55.439 1.228 1
1 102 . 15 1 1 A 15 15 LEU CB C 15 41.720 42.606 -0.886 1
1 106 . 15 1 1 A 15 15 LEU N N 15 121.843 121.652 0.191 1
1 107 . 15 1 1 A 16 16 HIS H H 16 9.492 8.234 1.258 1
1 108 . 15 1 1 A 16 16 HIS HA H 16 4.987 5.192 -0.205 1
1 113 . 15 1 1 A 16 16 HIS C C 16 171.333 171.761 -0.428 1
1 114 . 15 1 1 A 16 16 HIS CA C 16 55.153 54.741 0.412 1
1 115 . 15 1 1 A 16 16 HIS CB C 16 30.515 31.728 -1.213 1
1 118 . 15 1 1 A 16 16 HIS N N 16 121.636 121.431 0.205 1
1 119 . 15 1 1 A 17 17 VAL H H 17 8.606 8.606 0.000 1
1 120 . 15 1 1 A 17 17 VAL HA H 17 4.663 4.454 0.209 1
1 128 . 15 1 1 A 17 17 VAL C C 17 177.740 175.976 1.764 1
1 129 . 15 1 1 A 17 17 VAL CA C 17 61.771 61.541 0.230 1
1 130 . 15 1 1 A 17 17 VAL CB C 17 33.476 33.913 -0.437 1
1 133 . 15 1 1 A 17 17 VAL N N 17 120.868 118.808 2.060 1
1 134 . 15 1 1 A 18 18 THR H H 18 9.022 8.877 0.145 1
1 135 . 15 1 1 A 18 18 THR HA H 18 4.516 4.421 0.095 1
1 140 . 15 1 1 A 18 18 THR C C 18 174.913 174.655 0.258 1
1 141 . 15 1 1 A 18 18 THR CA C 18 61.472 63.489 -2.017 1
1 142 . 15 1 1 A 18 18 THR CB C 18 68.725 70.122 -1.397 1
1 144 . 15 1 1 A 18 18 THR N N 18 117.096 122.093 -4.997 1
1 145 . 15 1 1 A 19 19 GLY H H 19 7.443 7.381 0.062 1
1 146 . 15 1 1 A 19 19 GLY HA2 H 19 4.177 4.074 0.103 1
1 147 . 15 1 1 A 19 19 GLY HA3 H 19 3.909 4.082 -0.173 1
1 148 . 15 1 1 A 19 19 GLY C C 19 170.720 172.586 -1.866 1
1 149 . 15 1 1 A 19 19 GLY CA C 19 45.877 45.636 0.241 1
1 150 . 15 1 1 A 19 19 GLY N N 19 111.594 108.232 3.362 1
1 151 . 15 1 1 A 20 20 LEU H H 20 8.400 8.506 -0.106 1
1 152 . 15 1 1 A 20 20 LEU HA H 20 4.803 4.419 0.384 1
1 162 . 15 1 1 A 20 20 LEU C C 20 175.350 176.131 -0.781 1
1 163 . 15 1 1 A 20 20 LEU CA C 20 55.557 54.443 1.114 1
1 164 . 15 1 1 A 20 20 LEU CB C 20 46.554 43.458 3.096 1
1 168 . 15 1 1 A 20 20 LEU N N 20 121.661 121.730 -0.069 1
1 169 . 15 1 1 A 21 21 THR H H 21 7.720 8.495 -0.775 1
1 170 . 15 1 1 A 21 21 THR HA H 21 4.900 4.680 0.220 1
1 175 . 15 1 1 A 21 21 THR C C 21 174.986 175.104 -0.118 1
1 176 . 15 1 1 A 21 21 THR CA C 21 61.049 61.038 0.011 1
1 177 . 15 1 1 A 21 21 THR CB C 21 71.081 72.710 -1.629 1
1 179 . 15 1 1 A 21 21 THR N N 21 112.043 112.217 -0.174 1
1 180 . 15 1 1 A 22 22 THR H H 22 7.782 8.801 -1.019 1
1 181 . 15 1 1 A 22 22 THR HA H 22 4.657 4.398 0.259 1
1 186 . 15 1 1 A 22 22 THR C C 22 174.110 176.171 -2.061 1
1 187 . 15 1 1 A 22 22 THR CA C 22 63.654 65.664 -2.010 1
1 188 . 15 1 1 A 22 22 THR CB C 22 69.834 68.389 1.445 1
1 190 . 15 1 1 A 22 22 THR N N 22 110.558 119.441 -8.883 1
1 191 . 15 1 1 A 23 23 SER H H 23 7.289 7.630 -0.341 1
1 192 . 15 1 1 A 23 23 SER HA H 23 4.717 4.843 -0.126 1
1 195 . 15 1 1 A 23 23 SER C C 23 173.680 174.287 -0.607 1
1 196 . 15 1 1 A 23 23 SER CA C 23 57.212 60.430 -3.218 1
1 197 . 15 1 1 A 23 23 SER CB C 23 66.012 64.328 1.684 1
1 198 . 15 1 1 A 23 23 SER N N 23 107.116 115.540 -8.424 1
1 199 . 15 1 1 A 24 24 THR H H 24 7.174 7.663 -0.489 1
1 200 . 15 1 1 A 24 24 THR HA H 24 5.377 4.732 0.645 1
1 205 . 15 1 1 A 24 24 THR C C 24 176.427 173.521 2.906 1
1 206 . 15 1 1 A 24 24 THR CA C 24 58.656 60.089 -1.433 1
1 207 . 15 1 1 A 24 24 THR CB C 24 73.018 71.448 1.570 1
1 209 . 15 1 1 A 24 24 THR N N 24 111.053 112.192 -1.139 1
1 210 . 15 1 1 A 25 25 THR H H 25 8.180 8.380 -0.200 1
1 211 . 15 1 1 A 25 25 THR HA H 25 4.608 4.870 -0.262 1
1 216 . 15 1 1 A 25 25 THR C C 25 170.451 173.574 -3.123 1
1 217 . 15 1 1 A 25 25 THR CA C 25 63.619 61.627 1.992 1
1 218 . 15 1 1 A 25 25 THR CB C 25 75.464 71.750 3.714 1
1 220 . 15 1 1 A 25 25 THR N N 25 117.664 115.670 1.994 1
1 221 . 15 1 1 A 26 26 GLU H H 26 9.197 8.691 0.506 1
1 222 . 15 1 1 A 26 26 GLU HA H 26 4.706 4.528 0.178 1
1 227 . 15 1 1 A 26 26 GLU C C 26 174.626 175.580 -0.954 1
1 228 . 15 1 1 A 26 26 GLU CA C 26 55.751 56.972 -1.221 1
1 229 . 15 1 1 A 26 26 GLU CB C 26 30.917 30.828 0.089 1
1 231 . 15 1 1 A 26 26 GLU N N 26 130.706 126.640 4.066 1
1 232 . 15 1 1 A 27 27 LEU H H 27 9.001 8.508 0.493 1
1 233 . 15 1 1 A 27 27 LEU HA H 27 5.273 5.264 0.009 1
1 243 . 15 1 1 A 27 27 LEU C C 27 176.770 175.746 1.024 1
1 244 . 15 1 1 A 27 27 LEU CA C 27 53.165 53.722 -0.557 1
1 245 . 15 1 1 A 27 27 LEU CB C 27 47.693 47.096 0.597 1
1 249 . 15 1 1 A 27 27 LEU N N 27 124.564 120.759 3.805 1
1 250 . 15 1 1 A 28 28 ALA H H 28 8.640 8.431 0.209 1
1 251 . 15 1 1 A 28 28 ALA HA H 28 4.577 4.741 -0.164 1
1 255 . 15 1 1 A 28 28 ALA C C 28 174.523 175.240 -0.717 1
1 256 . 15 1 1 A 28 28 ALA CA C 28 51.404 51.962 -0.558 1
1 257 . 15 1 1 A 28 28 ALA CB C 28 23.304 20.806 2.498 1
1 258 . 15 1 1 A 28 28 ALA N N 28 122.531 121.553 0.978 1
1 259 . 15 1 1 A 29 29 TRP H H 29 7.581 8.172 -0.591 1
1 260 . 15 1 1 A 29 29 TRP HA H 29 4.868 5.626 -0.758 1
1 269 . 15 1 1 A 29 29 TRP C C 29 172.280 173.131 -0.851 1
1 270 . 15 1 1 A 29 29 TRP CA C 29 56.948 54.548 2.400 1
1 271 . 15 1 1 A 29 29 TRP CB C 29 29.667 32.211 -2.544 1
1 277 . 15 1 1 A 29 29 TRP N N 29 115.551 120.864 -5.313 1
1 279 . 15 1 1 A 30 30 ASP H H 30 9.276 9.465 -0.189 1
1 280 . 15 1 1 A 30 30 ASP HA H 30 5.443 5.063 0.380 1
1 283 . 15 1 1 A 30 30 ASP C C 30 173.846 173.551 0.295 1
1 284 . 15 1 1 A 30 30 ASP CA C 30 51.562 50.911 0.651 1
1 285 . 15 1 1 A 30 30 ASP CB C 30 42.533 42.375 0.158 1
1 286 . 15 1 1 A 30 30 ASP N N 30 117.265 119.956 -2.691 1
1 287 . 15 1 1 A 31 31 PRO HA H 31 5.105 4.912 0.193 1
1 294 . 15 1 1 A 31 31 PRO CA C 31 61.905 61.553 0.352 1
1 295 . 15 1 1 A 31 31 PRO CB C 31 29.864 31.568 -1.704 1
1 298 . 15 1 1 A 32 32 PRO HA H 32 4.580 4.456 0.124 1
1 305 . 15 1 1 A 32 32 PRO CA C 32 62.036 62.754 -0.718 1
1 306 . 15 1 1 A 32 32 PRO CB C 32 30.840 31.979 -1.139 1
1 309 . 15 1 1 A 33 33 VAL H H 33 8.755 8.185 0.570 1
1 310 . 15 1 1 A 33 33 VAL HA H 33 3.994 4.083 -0.089 1
1 318 . 15 1 1 A 33 33 VAL CA C 33 62.553 62.535 0.018 1
1 319 . 15 1 1 A 33 33 VAL CB C 33 31.763 32.152 -0.389 1
1 322 . 15 1 1 A 33 33 VAL N N 33 120.113 119.556 0.557 1
1 323 . 15 1 1 A 34 34 LEU H H 34 8.469 8.731 -0.262 1
1 324 . 15 1 1 A 34 34 LEU HA H 34 3.768 3.875 -0.107 1
1 334 . 15 1 1 A 34 34 LEU CA C 34 58.809 57.772 1.037 1
1 335 . 15 1 1 A 34 34 LEU CB C 34 42.426 41.548 0.878 1
1 339 . 15 1 1 A 34 34 LEU N N 34 125.095 123.829 1.266 1
1 340 . 15 1 1 A 35 35 ALA H H 35 8.586 8.123 0.463 1
1 341 . 15 1 1 A 35 35 ALA HA H 35 4.171 4.077 0.094 1
1 345 . 15 1 1 A 35 35 ALA CA C 35 53.957 55.317 -1.360 1
1 346 . 15 1 1 A 35 35 ALA CB C 35 19.056 19.012 0.044 1
1 347 . 15 1 1 A 35 35 ALA N N 35 119.010 122.329 -3.319 1
1 348 . 15 1 1 A 36 36 GLU H H 36 8.070 7.879 0.191 1
1 349 . 15 1 1 A 36 36 GLU HA H 36 4.305 4.390 -0.085 1
1 354 . 15 1 1 A 36 36 GLU CA C 36 55.527 56.505 -0.978 1
1 355 . 15 1 1 A 36 36 GLU CB C 36 29.845 29.186 0.659 1
1 357 . 15 1 1 A 36 36 GLU N N 36 115.604 117.024 -1.420 1
1 358 . 15 1 1 A 37 37 ARG HA H 37 3.758 4.847 -1.089 1
1 365 . 15 1 1 A 37 37 ARG CA C 37 60.050 54.592 5.458 1
1 366 . 15 1 1 A 37 37 ARG CB C 37 30.804 32.678 -1.874 1
1 369 . 15 1 1 A 37 37 ARG N N 37 122.198 125.244 -3.046 1
1 370 . 15 1 1 A 38 38 ASN H H 38 8.093 8.956 -0.863 1
1 371 . 15 1 1 A 38 38 ASN HA H 38 4.291 4.916 -0.625 1
1 376 . 15 1 1 A 38 38 ASN C C 38 174.619 174.782 -0.163 1
1 377 . 15 1 1 A 38 38 ASN CA C 38 53.287 52.850 0.437 1
1 378 . 15 1 1 A 38 38 ASN CB C 38 37.482 39.065 -1.583 1
1 379 . 15 1 1 A 38 38 ASN N N 38 109.319 122.056 -12.737 1
1 381 . 15 1 1 A 39 39 GLY H H 39 7.575 7.558 0.017 1
1 382 . 15 1 1 A 39 39 GLY HA2 H 39 4.320 4.173 0.147 1
1 383 . 15 1 1 A 39 39 GLY HA3 H 39 3.697 4.175 -0.478 1
1 384 . 15 1 1 A 39 39 GLY C C 39 172.138 172.082 0.056 1
1 385 . 15 1 1 A 39 39 GLY CA C 39 43.766 45.702 -1.936 1
1 386 . 15 1 1 A 39 39 GLY N N 39 105.607 107.230 -1.623 1
1 387 . 15 1 1 A 40 40 ARG H H 40 8.180 8.402 -0.222 1
1 388 . 15 1 1 A 40 40 ARG HA H 40 4.333 5.174 -0.841 1
1 395 . 15 1 1 A 40 40 ARG C C 40 176.395 174.403 1.992 1
1 396 . 15 1 1 A 40 40 ARG CA C 40 55.453 54.098 1.355 1
1 397 . 15 1 1 A 40 40 ARG CB C 40 30.999 34.538 -3.539 1
1 400 . 15 1 1 A 40 40 ARG N N 40 119.566 122.523 -2.957 1
1 401 . 15 1 1 A 41 41 ILE H H 41 8.991 8.878 0.113 1
1 402 . 15 1 1 A 41 41 ILE HA H 41 4.256 4.896 -0.640 1
1 412 . 15 1 1 A 41 41 ILE CA C 41 59.279 60.145 -0.866 1
1 413 . 15 1 1 A 41 41 ILE CB C 41 35.329 40.634 -5.305 1
1 417 . 15 1 1 A 41 41 ILE N N 41 127.226 121.371 5.855 1
1 418 . 15 1 1 A 42 42 ILE H H 42 8.721 8.713 0.008 1
1 419 . 15 1 1 A 42 42 ILE HA H 42 4.475 4.526 -0.051 1
1 429 . 15 1 1 A 42 42 ILE C C 42 175.959 176.122 -0.163 1
1 430 . 15 1 1 A 42 42 ILE CA C 42 61.208 61.240 -0.032 1
1 431 . 15 1 1 A 42 42 ILE CB C 42 39.771 39.885 -0.114 1
1 435 . 15 1 1 A 42 42 ILE N N 42 122.018 120.344 1.674 1
1 436 . 15 1 1 A 43 43 SER H H 43 7.425 7.654 -0.229 1
1 437 . 15 1 1 A 43 43 SER HA H 43 4.555 4.980 -0.425 1
1 440 . 15 1 1 A 43 43 SER C C 43 170.232 171.640 -1.408 1
1 441 . 15 1 1 A 43 43 SER CA C 43 58.234 58.037 0.197 1
1 442 . 15 1 1 A 43 43 SER CB C 43 64.287 66.467 -2.180 1
1 443 . 15 1 1 A 43 43 SER N N 43 113.043 116.107 -3.064 1
1 444 . 15 1 1 A 44 44 TYR H H 44 9.297 8.432 0.865 1
1 445 . 15 1 1 A 44 44 TYR HA H 44 5.741 5.661 0.080 1
1 452 . 15 1 1 A 44 44 TYR C C 44 175.735 175.105 0.630 1
1 453 . 15 1 1 A 44 44 TYR CA C 44 57.137 56.596 0.541 1
1 454 . 15 1 1 A 44 44 TYR CB C 44 42.410 43.168 -0.758 1
1 459 . 15 1 1 A 44 44 TYR N N 44 116.157 119.681 -3.524 1
1 460 . 15 1 1 A 45 45 THR H H 45 8.778 8.843 -0.065 1
1 461 . 15 1 1 A 45 45 THR HA H 45 5.094 5.100 -0.006 1
1 466 . 15 1 1 A 45 45 THR C C 45 173.026 173.499 -0.473 1
1 467 . 15 1 1 A 45 45 THR CA C 45 61.853 61.700 0.153 1
1 468 . 15 1 1 A 45 45 THR CB C 45 71.072 70.356 0.716 1
1 470 . 15 1 1 A 45 45 THR N N 45 114.801 116.289 -1.488 1
1 471 . 15 1 1 A 46 46 VAL H H 46 9.145 8.972 0.173 1
1 472 . 15 1 1 A 46 46 VAL HA H 46 4.244 4.650 -0.406 1
1 480 . 15 1 1 A 46 46 VAL C C 46 174.278 175.172 -0.894 1
1 481 . 15 1 1 A 46 46 VAL CA C 46 61.137 61.749 -0.612 1
1 482 . 15 1 1 A 46 46 VAL CB C 46 32.999 31.499 1.500 1
1 485 . 15 1 1 A 46 46 VAL N N 46 127.180 127.719 -0.539 1
1 486 . 15 1 1 A 47 47 VAL H H 47 9.041 8.668 0.373 1
1 487 . 15 1 1 A 47 47 VAL HA H 47 5.004 4.733 0.271 1
1 495 . 15 1 1 A 47 47 VAL C C 47 175.023 175.247 -0.224 1
1 496 . 15 1 1 A 47 47 VAL CA C 47 60.996 61.617 -0.621 1
1 497 . 15 1 1 A 47 47 VAL CB C 47 33.488 32.072 1.416 1
1 500 . 15 1 1 A 47 47 VAL N N 47 128.169 128.578 -0.409 1
1 501 . 15 1 1 A 48 48 PHE H H 48 9.169 9.075 0.094 1
1 502 . 15 1 1 A 48 48 PHE HA H 48 6.209 6.086 0.123 1
1 510 . 15 1 1 A 48 48 PHE C C 48 173.210 173.592 -0.382 1
1 511 . 15 1 1 A 48 48 PHE CA C 48 54.702 55.355 -0.653 1
1 512 . 15 1 1 A 48 48 PHE CB C 48 43.316 42.103 1.213 1
1 518 . 15 1 1 A 48 48 PHE N N 48 123.753 124.455 -0.702 1
1 519 . 15 1 1 A 49 49 ARG H H 49 8.693 8.768 -0.075 1
1 520 . 15 1 1 A 49 49 ARG HA H 49 4.817 4.949 -0.132 1
1 528 . 15 1 1 A 49 49 ARG C C 49 175.280 174.507 0.773 1
1 529 . 15 1 1 A 49 49 ARG CA C 49 54.801 54.250 0.551 1
1 530 . 15 1 1 A 49 49 ARG CB C 49 35.242 34.485 0.757 1
1 533 . 15 1 1 A 49 49 ARG N N 49 118.793 121.881 -3.088 1
1 535 . 15 1 1 A 50 50 ASP H H 50 8.820 8.448 0.372 1
1 536 . 15 1 1 A 50 50 ASP HA H 50 4.029 4.553 -0.524 1
1 539 . 15 1 1 A 50 50 ASP C C 50 178.592 177.218 1.374 1
1 540 . 15 1 1 A 50 50 ASP CA C 50 53.498 53.370 0.128 1
1 541 . 15 1 1 A 50 50 ASP CB C 50 40.543 40.339 0.204 1
1 542 . 15 1 1 A 50 50 ASP N N 50 128.720 124.529 4.191 1
1 543 . 15 1 1 A 51 51 ILE H H 51 8.315 8.394 -0.079 1
1 544 . 15 1 1 A 51 51 ILE HA H 51 3.892 3.729 0.163 1
1 554 . 15 1 1 A 51 51 ILE C C 51 176.905 176.519 0.386 1
1 555 . 15 1 1 A 51 51 ILE CA C 51 64.569 63.707 0.862 1
1 556 . 15 1 1 A 51 51 ILE CB C 51 38.126 37.609 0.517 1
1 560 . 15 1 1 A 51 51 ILE N N 51 124.642 121.618 3.024 1
1 561 . 15 1 1 A 52 52 ASN H H 52 8.677 7.708 0.969 1
1 562 . 15 1 1 A 52 52 ASN HA H 52 4.760 4.815 -0.055 1
1 567 . 15 1 1 A 52 52 ASN C C 52 174.645 174.628 0.017 1
1 568 . 15 1 1 A 52 52 ASN CA C 52 53.851 53.694 0.157 1
1 569 . 15 1 1 A 52 52 ASN CB C 52 39.032 39.165 -0.133 1
1 570 . 15 1 1 A 52 52 ASN N N 52 119.201 118.911 0.290 1
1 572 . 15 1 1 A 53 53 SER H H 53 8.409 8.281 0.128 1
1 573 . 15 1 1 A 53 53 SER HA H 53 4.663 4.934 -0.271 1
1 576 . 15 1 1 A 53 53 SER C C 53 173.861 173.260 0.601 1
1 577 . 15 1 1 A 53 53 SER CA C 53 56.702 57.654 -0.952 1
1 578 . 15 1 1 A 53 53 SER CB C 53 65.730 67.383 -1.653 1
1 579 . 15 1 1 A 53 53 SER N N 53 116.494 115.205 1.289 1
1 580 . 15 1 1 A 54 54 GLN H H 54 8.489 8.674 -0.185 1
1 581 . 15 1 1 A 54 54 GLN HA H 54 4.329 4.635 -0.306 1
1 588 . 15 1 1 A 54 54 GLN C C 54 175.789 174.709 1.080 1
1 589 . 15 1 1 A 54 54 GLN CA C 54 55.857 54.731 1.126 1
1 590 . 15 1 1 A 54 54 GLN CB C 54 28.847 29.163 -0.316 1
1 592 . 15 1 1 A 54 54 GLN N N 54 119.700 122.301 -2.601 1
1 594 . 15 1 1 A 55 55 GLN H H 55 8.108 7.619 0.489 1
1 595 . 15 1 1 A 55 55 GLN HA H 55 4.269 4.773 -0.504 1
1 602 . 15 1 1 A 55 55 GLN C C 55 174.076 174.384 -0.308 1
1 603 . 15 1 1 A 55 55 GLN CA C 55 55.689 54.733 0.956 1
1 604 . 15 1 1 A 55 55 GLN CB C 55 29.352 30.069 -0.717 1
1 606 . 15 1 1 A 55 55 GLN N N 55 120.355 123.001 -2.646 1
1 608 . 15 1 1 A 56 56 GLU H H 56 8.603 8.883 -0.280 1
1 609 . 15 1 1 A 56 56 GLU HA H 56 4.372 4.804 -0.432 1
1 614 . 15 1 1 A 56 56 GLU C C 56 175.058 175.336 -0.278 1
1 615 . 15 1 1 A 56 56 GLU CA C 56 55.594 55.950 -0.356 1
1 616 . 15 1 1 A 56 56 GLU CB C 56 31.640 31.145 0.495 1
1 618 . 15 1 1 A 56 56 GLU N N 56 126.250 128.690 -2.440 1
1 619 . 15 1 1 A 57 57 LEU H H 57 8.520 7.941 0.579 1
1 620 . 15 1 1 A 57 57 LEU HA H 57 4.458 4.702 -0.244 1
1 630 . 15 1 1 A 57 57 LEU C C 57 174.850 174.877 -0.027 1
1 631 . 15 1 1 A 57 57 LEU CA C 57 53.780 53.306 0.474 1
1 632 . 15 1 1 A 57 57 LEU CB C 57 43.903 46.088 -2.185 1
1 636 . 15 1 1 A 57 57 LEU N N 57 127.205 126.151 1.054 1
1 637 . 15 1 1 A 58 58 GLN H H 58 7.992 8.601 -0.609 1
1 638 . 15 1 1 A 58 58 GLN HA H 58 5.865 5.421 0.444 1
1 645 . 15 1 1 A 58 58 GLN C C 58 175.948 174.626 1.322 1
1 646 . 15 1 1 A 58 58 GLN CA C 58 53.944 54.354 -0.410 1
1 647 . 15 1 1 A 58 58 GLN CB C 58 32.786 33.479 -0.693 1
1 649 . 15 1 1 A 58 58 GLN N N 58 113.562 120.333 -6.771 1
1 651 . 15 1 1 A 59 59 ASN H H 59 9.073 8.954 0.119 1
1 652 . 15 1 1 A 59 59 ASN HA H 59 5.068 5.510 -0.442 1
1 657 . 15 1 1 A 59 59 ASN C C 59 172.790 174.196 -1.406 1
1 658 . 15 1 1 A 59 59 ASN CA C 59 53.023 51.617 1.406 1
1 659 . 15 1 1 A 59 59 ASN CB C 59 45.541 42.764 2.777 1
1 660 . 15 1 1 A 59 59 ASN N N 59 119.984 117.680 2.304 1
1 662 . 15 1 1 A 60 60 ILE H H 60 8.491 8.429 0.062 1
1 663 . 15 1 1 A 60 60 ILE HA H 60 5.147 5.057 0.090 1
1 673 . 15 1 1 A 60 60 ILE C C 60 175.088 174.473 0.615 1
1 674 . 15 1 1 A 60 60 ILE CA C 60 59.853 60.123 -0.270 1
1 675 . 15 1 1 A 60 60 ILE CB C 60 40.891 41.646 -0.755 1
1 679 . 15 1 1 A 60 60 ILE N N 60 119.480 120.369 -0.889 1
1 680 . 15 1 1 A 61 61 THR H H 61 8.755 8.396 0.359 1
1 681 . 15 1 1 A 61 61 THR HA H 61 4.976 5.186 -0.210 1
1 686 . 15 1 1 A 61 61 THR C C 61 172.097 173.685 -1.588 1
1 687 . 15 1 1 A 61 61 THR CA C 61 59.905 60.236 -0.331 1
1 688 . 15 1 1 A 61 61 THR CB C 61 69.505 71.408 -1.903 1
1 690 . 15 1 1 A 61 61 THR N N 61 118.083 119.732 -1.649 1
1 691 . 15 1 1 A 62 62 THR H H 62 8.325 8.581 -0.256 1
1 692 . 15 1 1 A 62 62 THR HA H 62 4.641 4.503 0.138 1
1 697 . 15 1 1 A 62 62 THR C C 62 174.386 173.489 0.897 1
1 698 . 15 1 1 A 62 62 THR CA C 62 62.440 62.268 0.172 1
1 699 . 15 1 1 A 62 62 THR CB C 62 69.355 68.804 0.551 1
1 701 . 15 1 1 A 62 62 THR N N 62 115.077 117.335 -2.258 1
1 702 . 15 1 1 A 63 63 ASP H H 63 8.611 7.354 1.257 1
1 703 . 15 1 1 A 63 63 ASP HA H 63 4.962 5.092 -0.130 1
1 706 . 15 1 1 A 63 63 ASP C C 63 172.906 176.558 -3.652 1
1 707 . 15 1 1 A 63 63 ASP CA C 63 52.981 53.077 -0.096 1
1 708 . 15 1 1 A 63 63 ASP CB C 63 43.465 44.706 -1.241 1
1 709 . 15 1 1 A 63 63 ASP N N 63 125.713 121.404 4.309 1
1 710 . 15 1 1 A 64 64 THR H H 64 7.925 8.354 -0.429 1
1 711 . 15 1 1 A 64 64 THR HA H 64 3.088 3.718 -0.630 1
1 716 . 15 1 1 A 64 64 THR C C 64 172.176 171.906 0.270 1
1 717 . 15 1 1 A 64 64 THR CA C 64 59.078 61.354 -2.276 1
1 718 . 15 1 1 A 64 64 THR CB C 64 66.137 68.156 -2.019 1
1 720 . 15 1 1 A 64 64 THR N N 64 104.287 112.651 -8.364 1
1 721 . 15 1 1 A 65 65 ARG H H 65 6.387 7.334 -0.947 1
1 722 . 15 1 1 A 65 65 ARG HA H 65 4.221 3.825 0.396 1
1 729 . 15 1 1 A 65 65 ARG C C 65 174.862 174.305 0.557 1
1 730 . 15 1 1 A 65 65 ARG CA C 65 54.132 53.524 0.608 1
1 731 . 15 1 1 A 65 65 ARG CB C 65 32.928 33.934 -1.006 1
1 734 . 15 1 1 A 65 65 ARG N N 65 115.062 118.539 -3.477 1
1 735 . 15 1 1 A 66 66 PHE H H 66 8.177 8.963 -0.786 1
1 736 . 15 1 1 A 66 66 PHE HA H 66 4.373 4.908 -0.535 1
1 744 . 15 1 1 A 66 66 PHE C C 66 172.804 173.210 -0.406 1
1 745 . 15 1 1 A 66 66 PHE CA C 66 59.536 58.221 1.315 1
1 746 . 15 1 1 A 66 66 PHE CB C 66 44.469 41.493 2.976 1
1 752 . 15 1 1 A 66 66 PHE N N 66 119.991 119.458 0.533 1
1 753 . 15 1 1 A 67 67 THR H H 67 7.332 7.360 -0.028 1
1 754 . 15 1 1 A 67 67 THR HA H 67 4.628 5.228 -0.600 1
1 759 . 15 1 1 A 67 67 THR C C 67 172.910 173.883 -0.973 1
1 760 . 15 1 1 A 67 67 THR CA C 67 61.261 61.237 0.024 1
1 761 . 15 1 1 A 67 67 THR CB C 67 69.260 71.323 -2.063 1
1 763 . 15 1 1 A 67 67 THR N N 67 123.294 116.484 6.810 1
1 764 . 15 1 1 A 68 68 LEU H H 68 8.776 9.192 -0.416 1
1 765 . 15 1 1 A 68 68 LEU HA H 68 4.192 4.213 -0.021 1
1 775 . 15 1 1 A 68 68 LEU C C 68 176.337 175.927 0.410 1
1 776 . 15 1 1 A 68 68 LEU CA C 68 54.394 54.718 -0.324 1
1 777 . 15 1 1 A 68 68 LEU CB C 68 42.394 42.321 0.073 1
1 781 . 15 1 1 A 68 68 LEU N N 68 126.969 127.888 -0.919 1
1 782 . 15 1 1 A 69 69 THR H H 69 7.921 8.285 -0.364 1
1 783 . 15 1 1 A 69 69 THR HA H 69 4.814 4.687 0.127 1
1 788 . 15 1 1 A 69 69 THR C C 69 173.856 173.621 0.235 1
1 789 . 15 1 1 A 69 69 THR CA C 69 59.694 60.574 -0.880 1
1 790 . 15 1 1 A 69 69 THR CB C 69 71.829 71.457 0.372 1
1 792 . 15 1 1 A 69 69 THR N N 69 111.246 111.619 -0.373 1
1 793 . 15 1 1 A 70 70 GLY H H 70 8.894 8.637 0.257 1
1 794 . 15 1 1 A 70 70 GLY HA2 H 70 3.930 3.849 0.081 1
1 795 . 15 1 1 A 70 70 GLY HA3 H 70 3.809 3.872 -0.063 1
1 796 . 15 1 1 A 70 70 GLY C C 70 175.589 174.577 1.012 1
1 797 . 15 1 1 A 70 70 GLY CA C 70 46.178 46.810 -0.632 1
1 798 . 15 1 1 A 70 70 GLY N N 70 107.415 112.483 -5.068 1
1 799 . 15 1 1 A 71 71 LEU H H 71 8.341 7.677 0.664 1
1 800 . 15 1 1 A 71 71 LEU HA H 71 4.195 4.728 -0.533 1
1 810 . 15 1 1 A 71 71 LEU C C 71 175.422 175.522 -0.100 1
1 811 . 15 1 1 A 71 71 LEU CA C 71 53.429 53.377 0.052 1
1 812 . 15 1 1 A 71 71 LEU CB C 71 40.650 43.252 -2.602 1
1 816 . 15 1 1 A 71 71 LEU N N 71 118.621 120.473 -1.852 1
1 817 . 15 1 1 A 72 72 LYS H H 72 8.298 9.284 -0.986 1
1 818 . 15 1 1 A 72 72 LYS HA H 72 4.631 4.538 0.093 1
1 827 . 15 1 1 A 72 72 LYS C C 72 174.599 175.564 -0.965 1
1 828 . 15 1 1 A 72 72 LYS CA C 72 53.851 54.118 -0.267 1
1 829 . 15 1 1 A 72 72 LYS CB C 72 33.619 33.576 0.043 1
1 833 . 15 1 1 A 72 72 LYS N N 72 121.340 122.080 -0.740 1
1 834 . 15 1 1 A 73 73 PRO HA H 73 5.086 4.732 0.354 1
1 841 . 15 1 1 A 73 73 PRO C C 73 178.198 177.226 0.972 1
1 842 . 15 1 1 A 73 73 PRO CA C 73 62.897 63.534 -0.637 1
1 843 . 15 1 1 A 73 73 PRO CB C 73 33.198 32.118 1.080 1
1 846 . 15 1 1 A 74 74 ASP H H 74 7.537 9.020 -1.483 1
1 847 . 15 1 1 A 74 74 ASP HA H 74 4.290 4.278 0.012 1
1 850 . 15 1 1 A 74 74 ASP C C 74 174.390 174.700 -0.310 1
1 851 . 15 1 1 A 74 74 ASP CA C 74 54.343 55.162 -0.819 1
1 852 . 15 1 1 A 74 74 ASP CB C 74 41.393 39.766 1.627 1
1 853 . 15 1 1 A 74 74 ASP N N 74 126.834 121.593 5.241 1
1 854 . 15 1 1 A 75 75 THR H H 75 8.197 7.229 0.968 1
1 855 . 15 1 1 A 75 75 THR HA H 75 4.316 4.812 -0.496 1
1 860 . 15 1 1 A 75 75 THR C C 75 172.076 173.430 -1.354 1
1 861 . 15 1 1 A 75 75 THR CA C 75 63.087 61.292 1.795 1
1 862 . 15 1 1 A 75 75 THR CB C 75 71.822 72.313 -0.491 1
1 864 . 15 1 1 A 75 75 THR N N 75 113.905 112.401 1.504 1
1 865 . 15 1 1 A 76 76 THR H H 76 8.606 8.688 -0.082 1
1 866 . 15 1 1 A 76 76 THR HA H 76 4.641 4.385 0.256 1
1 871 . 15 1 1 A 76 76 THR C C 76 172.308 173.853 -1.545 1
1 872 . 15 1 1 A 76 76 THR CA C 76 63.197 63.525 -0.328 1
1 873 . 15 1 1 A 76 76 THR CB C 76 68.333 69.061 -0.728 1
1 875 . 15 1 1 A 76 76 THR N N 76 124.170 121.315 2.855 1
1 876 . 15 1 1 A 77 77 TYR H H 77 9.230 8.886 0.344 1
1 877 . 15 1 1 A 77 77 TYR HA H 77 5.084 5.182 -0.098 1
1 884 . 15 1 1 A 77 77 TYR C C 77 174.065 174.424 -0.359 1
1 885 . 15 1 1 A 77 77 TYR CA C 77 57.443 56.307 1.136 1
1 886 . 15 1 1 A 77 77 TYR CB C 77 41.115 39.981 1.134 1
1 891 . 15 1 1 A 77 77 TYR N N 77 125.729 126.398 -0.669 1
1 892 . 15 1 1 A 78 78 ASP H H 78 9.222 9.211 0.011 1
1 893 . 15 1 1 A 78 78 ASP HA H 78 5.288 4.782 0.506 1
1 896 . 15 1 1 A 78 78 ASP C C 78 176.268 174.801 1.467 1
1 897 . 15 1 1 A 78 78 ASP CA C 78 53.565 54.244 -0.679 1
1 898 . 15 1 1 A 78 78 ASP CB C 78 44.874 40.860 4.014 1
1 899 . 15 1 1 A 78 78 ASP N N 78 124.016 125.666 -1.650 1
1 900 . 15 1 1 A 79 79 ILE H H 79 9.210 8.634 0.576 1
1 901 . 15 1 1 A 79 79 ILE HA H 79 5.027 5.451 -0.424 1
1 911 . 15 1 1 A 79 79 ILE C C 79 172.968 174.867 -1.899 1
1 912 . 15 1 1 A 79 79 ILE CA C 79 61.102 59.884 1.218 1
1 913 . 15 1 1 A 79 79 ILE CB C 79 41.830 39.855 1.975 1
1 917 . 15 1 1 A 79 79 ILE N N 79 127.527 127.257 0.270 1
1 918 . 15 1 1 A 80 80 LYS H H 80 8.930 9.185 -0.255 1
1 919 . 15 1 1 A 80 80 LYS HA H 80 4.282 5.145 -0.863 1
1 928 . 15 1 1 A 80 80 LYS C C 80 173.716 174.315 -0.599 1
1 929 . 15 1 1 A 80 80 LYS CA C 80 54.749 54.070 0.679 1
1 930 . 15 1 1 A 80 80 LYS CB C 80 37.864 36.821 1.043 1
1 934 . 15 1 1 A 80 80 LYS N N 80 122.620 124.651 -2.031 1
1 935 . 15 1 1 A 81 81 VAL H H 81 8.070 8.868 -0.798 1
1 936 . 15 1 1 A 81 81 VAL HA H 81 5.365 4.990 0.375 1
1 944 . 15 1 1 A 81 81 VAL C C 81 174.099 173.558 0.541 1
1 945 . 15 1 1 A 81 81 VAL CA C 81 59.228 59.557 -0.329 1
1 946 . 15 1 1 A 81 81 VAL CB C 81 36.108 35.034 1.074 1
1 949 . 15 1 1 A 81 81 VAL N N 81 115.045 119.147 -4.102 1
1 950 . 15 1 1 A 82 82 ARG H H 82 8.733 8.901 -0.168 1
1 951 . 15 1 1 A 82 82 ARG HA H 82 4.984 5.113 -0.129 1
1 959 . 15 1 1 A 82 82 ARG C C 82 172.874 174.275 -1.401 1
1 960 . 15 1 1 A 82 82 ARG CA C 82 53.552 54.858 -1.306 1
1 961 . 15 1 1 A 82 82 ARG CB C 82 34.521 33.958 0.563 1
1 964 . 15 1 1 A 82 82 ARG N N 82 122.032 123.074 -1.042 1
1 966 . 15 1 1 A 83 83 ALA H H 83 9.221 8.477 0.744 1
1 967 . 15 1 1 A 83 83 ALA HA H 83 5.132 4.058 1.074 1
1 971 . 15 1 1 A 83 83 ALA C C 83 174.998 176.735 -1.737 1
1 972 . 15 1 1 A 83 83 ALA CA C 83 50.383 51.641 -1.258 1
1 973 . 15 1 1 A 83 83 ALA CB C 83 23.472 19.709 3.763 1
1 974 . 15 1 1 A 83 83 ALA N N 83 124.044 124.966 -0.922 1
1 975 . 15 1 1 A 84 84 TRP H H 84 8.387 8.827 -0.440 1
1 976 . 15 1 1 A 84 84 TRP HA H 84 5.020 5.415 -0.395 1
1 985 . 15 1 1 A 84 84 TRP C C 84 177.430 175.650 1.780 1
1 986 . 15 1 1 A 84 84 TRP CA C 84 56.807 55.988 0.819 1
1 987 . 15 1 1 A 84 84 TRP CB C 84 31.235 32.343 -1.108 1
1 993 . 15 1 1 A 84 84 TRP N N 84 117.779 120.946 -3.167 1
1 995 . 15 1 1 A 85 85 THR H H 85 8.698 9.172 -0.474 1
1 996 . 15 1 1 A 85 85 THR HA H 85 5.190 5.169 0.021 1
1 1001 . 15 1 1 A 85 85 THR C C 85 176.429 176.148 0.281 1
1 1002 . 15 1 1 A 85 85 THR CA C 85 59.958 59.938 0.020 1
1 1003 . 15 1 1 A 85 85 THR CB C 85 72.646 72.119 0.527 1
1 1005 . 15 1 1 A 85 85 THR N N 85 111.404 114.143 -2.739 1
1 1006 . 15 1 1 A 86 86 SER H H 86 9.765 9.256 0.509 1
1 1007 . 15 1 1 A 86 86 SER HA H 86 4.242 4.167 0.075 1
1 1010 . 15 1 1 A 86 86 SER C C 86 174.834 176.127 -1.293 1
1 1011 . 15 1 1 A 86 86 SER CA C 86 61.014 61.950 -0.936 1
1 1012 . 15 1 1 A 86 86 SER CB C 86 62.807 62.997 -0.190 1
1 1013 . 15 1 1 A 86 86 SER N N 86 115.745 119.006 -3.261 1
1 1014 . 15 1 1 A 87 87 LYS H H 87 7.947 7.714 0.233 1
1 1015 . 15 1 1 A 87 87 LYS HA H 87 4.426 4.289 0.137 1
1 1024 . 15 1 1 A 87 87 LYS C C 87 176.373 176.902 -0.529 1
1 1025 . 15 1 1 A 87 87 LYS CA C 87 55.857 57.635 -1.778 1
1 1026 . 15 1 1 A 87 87 LYS CB C 87 33.386 33.641 -0.255 1
1 1030 . 15 1 1 A 87 87 LYS N N 87 118.254 118.598 -0.344 1
1 1031 . 15 1 1 A 88 88 GLY H H 88 7.400 7.106 0.294 1
1 1032 . 15 1 1 A 88 88 GLY HA2 H 88 4.446 4.034 0.412 1
1 1033 . 15 1 1 A 88 88 GLY HA3 H 88 3.990 4.146 -0.156 1
1 1034 . 15 1 1 A 88 88 GLY C C 88 171.366 171.902 -0.536 1
1 1035 . 15 1 1 A 88 88 GLY CA C 88 45.006 45.960 -0.954 1
1 1036 . 15 1 1 A 88 88 GLY N N 88 106.086 103.901 2.185 1
1 1037 . 15 1 1 A 89 89 SER H H 89 8.048 8.456 -0.408 1
1 1038 . 15 1 1 A 89 89 SER HA H 89 3.899 4.606 -0.707 1
1 1041 . 15 1 1 A 89 89 SER CA C 89 56.522 55.603 0.919 1
1 1042 . 15 1 1 A 89 89 SER CB C 89 63.965 64.552 -0.587 1
1 1043 . 15 1 1 A 89 89 SER N N 89 113.549 115.920 -2.371 1
1 1044 . 15 1 1 A 90 90 GLY H H 90 8.282 8.066 0.216 1
1 1045 . 15 1 1 A 90 90 GLY HA2 H 90 4.637 4.003 0.634 1
1 1046 . 15 1 1 A 90 90 GLY HA3 H 90 3.696 4.012 -0.316 1
1 1047 . 15 1 1 A 90 90 GLY CA C 90 44.399 43.927 0.472 1
1 1048 . 15 1 1 A 90 90 GLY N N 90 109.030 106.932 2.098 1
1 1049 . 15 1 1 A 91 91 PRO HA H 91 4.448 4.550 -0.102 1
1 1056 . 15 1 1 A 91 91 PRO C C 91 177.760 175.121 2.639 1
1 1057 . 15 1 1 A 91 91 PRO CA C 91 62.229 62.611 -0.382 1
1 1058 . 15 1 1 A 91 91 PRO CB C 91 32.367 33.067 -0.700 1
1 1061 . 15 1 1 A 92 92 LEU H H 92 8.373 8.371 0.002 1
1 1062 . 15 1 1 A 92 92 LEU HA H 92 4.110 4.777 -0.667 1
1 1072 . 15 1 1 A 92 92 LEU C C 92 176.841 176.559 0.282 1
1 1073 . 15 1 1 A 92 92 LEU CA C 92 55.163 53.447 1.716 1
1 1074 . 15 1 1 A 92 92 LEU CB C 92 43.188 43.514 -0.326 1
1 1078 . 15 1 1 A 92 92 LEU N N 92 121.096 122.090 -0.994 1
1 1079 . 15 1 1 A 93 93 SER H H 93 8.629 9.246 -0.617 1
1 1080 . 15 1 1 A 93 93 SER HA H 93 3.683 4.337 -0.654 1
1 1083 . 15 1 1 A 93 93 SER C C 93 171.637 173.567 -1.930 1
1 1084 . 15 1 1 A 93 93 SER CA C 93 56.900 56.897 0.003 1
1 1085 . 15 1 1 A 93 93 SER CB C 93 62.923 62.742 0.181 1
1 1086 . 15 1 1 A 93 93 SER N N 93 116.072 120.814 -4.742 1
1 1087 . 15 1 1 A 94 94 PRO HA H 94 4.330 4.506 -0.176 1
1 1094 . 15 1 1 A 94 94 PRO C C 94 178.093 177.161 0.932 1
1 1095 . 15 1 1 A 94 94 PRO CA C 94 63.309 62.631 0.678 1
1 1096 . 15 1 1 A 94 94 PRO CB C 94 31.463 31.649 -0.186 1
1 1099 . 15 1 1 A 95 95 SER H H 95 8.722 8.343 0.379 1
1 1100 . 15 1 1 A 95 95 SER HA H 95 4.923 4.845 0.078 1
1 1103 . 15 1 1 A 95 95 SER C C 95 176.215 175.400 0.815 1
1 1104 . 15 1 1 A 95 95 SER CA C 95 58.955 58.022 0.933 1
1 1105 . 15 1 1 A 95 95 SER CB C 95 64.884 64.396 0.488 1
1 1106 . 15 1 1 A 95 95 SER N N 95 122.184 115.084 7.100 1
1 1107 . 15 1 1 A 96 96 ILE H H 96 8.915 8.438 0.477 1
1 1108 . 15 1 1 A 96 96 ILE HA H 96 4.609 4.494 0.115 1
1 1118 . 15 1 1 A 96 96 ILE C C 96 174.546 176.325 -1.779 1
1 1119 . 15 1 1 A 96 96 ILE CA C 96 59.782 61.126 -1.344 1
1 1120 . 15 1 1 A 96 96 ILE CB C 96 40.995 39.799 1.196 1
1 1124 . 15 1 1 A 96 96 ILE N N 96 115.463 119.848 -4.385 1
1 1125 . 15 1 1 A 97 97 GLN H H 97 8.292 7.820 0.472 1
1 1126 . 15 1 1 A 97 97 GLN HA H 97 5.849 3.915 1.934 1
1 1133 . 15 1 1 A 97 97 GLN C C 97 176.173 174.513 1.660 1
1 1134 . 15 1 1 A 97 97 GLN CA C 97 54.361 56.845 -2.484 1
1 1135 . 15 1 1 A 97 97 GLN CB C 97 31.102 26.462 4.640 1
1 1137 . 15 1 1 A 97 97 GLN N N 97 117.686 118.024 -0.338 1
1 1139 . 15 1 1 A 98 98 SER H H 98 8.751 7.840 0.911 1
1 1140 . 15 1 1 A 98 98 SER HA H 98 4.618 4.596 0.022 1
1 1143 . 15 1 1 A 98 98 SER C C 98 172.310 173.532 -1.222 1
1 1144 . 15 1 1 A 98 98 SER CA C 98 57.019 58.089 -1.070 1
1 1145 . 15 1 1 A 98 98 SER CB C 98 64.588 63.373 1.215 1
1 1146 . 15 1 1 A 98 98 SER N N 98 115.969 113.163 2.806 1
1 1147 . 15 1 1 A 99 99 ARG H H 99 8.519 8.849 -0.330 1
1 1148 . 15 1 1 A 99 99 ARG HA H 99 5.627 5.052 0.575 1
1 1156 . 15 1 1 A 99 99 ARG C C 99 176.394 175.905 0.489 1
1 1157 . 15 1 1 A 99 99 ARG CA C 99 53.705 55.763 -2.058 1
1 1158 . 15 1 1 A 99 99 ARG CB C 99 32.853 31.111 1.742 1
1 1161 . 15 1 1 A 99 99 ARG N N 99 132.343 129.514 2.829 1
1 1163 . 15 1 1 A 100 100 THR H H 100 8.808 8.259 0.549 1
1 1164 . 15 1 1 A 100 100 THR HA H 100 4.182 4.310 -0.128 1
1 1169 . 15 1 1 A 100 100 THR C C 100 175.465 174.374 1.091 1
1 1170 . 15 1 1 A 100 100 THR CA C 100 61.701 62.599 -0.898 1
1 1171 . 15 1 1 A 100 100 THR CB C 100 69.515 69.852 -0.337 1
1 1173 . 15 1 1 A 100 100 THR N N 100 116.147 118.470 -2.323 1
1 1174 . 15 1 1 A 101 101 MET H H 101 7.254 8.525 -1.271 1
1 1175 . 15 1 1 A 101 101 MET HA H 101 4.504 4.674 -0.170 1
1 1183 . 15 1 1 A 101 101 MET C C 101 174.574 175.372 -0.798 1
1 1184 . 15 1 1 A 101 101 MET CA C 101 54.324 54.050 0.274 1
1 1185 . 15 1 1 A 101 101 MET CB C 101 32.235 32.552 -0.317 1
1 1188 . 15 1 1 A 101 101 MET N N 101 117.475 121.221 -3.746 1
1 1189 . 15 1 1 A 102 102 PRO HA H 102 4.647 4.699 -0.052 1
1 1196 . 15 1 1 A 102 102 PRO CA C 102 62.553 62.426 0.127 1
1 1197 . 15 1 1 A 102 102 PRO CB C 102 32.011 30.597 1.414 1
1 1 . 16 1 1 A 6 6 SER HA H 6 4.535 4.856 -0.321 1
1 4 . 16 1 1 A 6 6 SER CA C 6 58.104 57.486 0.618 1
1 5 . 16 1 1 A 6 6 SER CB C 6 64.201 67.365 -3.164 1
1 6 . 16 1 1 A 7 7 GLY H H 7 7.998 8.275 -0.277 1
1 7 . 16 1 1 A 7 7 GLY HA2 H 7 3.978 4.051 -0.073 1
1 8 . 16 1 1 A 7 7 GLY HA3 H 7 3.515 4.102 -0.587 1
1 9 . 16 1 1 A 7 7 GLY CA C 7 44.050 45.140 -1.090 1
1 10 . 16 1 1 A 7 7 GLY N N 7 108.741 108.911 -0.170 1
1 11 . 16 1 1 A 8 8 PRO HA H 8 4.324 4.601 -0.277 1
1 18 . 16 1 1 A 8 8 PRO CA C 8 63.624 62.636 0.988 1
1 19 . 16 1 1 A 8 8 PRO CB C 8 32.235 33.335 -1.100 1
1 22 . 16 1 1 A 9 9 SER H H 9 8.323 8.844 -0.521 1
1 23 . 16 1 1 A 9 9 SER HA H 9 4.512 4.611 -0.099 1
1 26 . 16 1 1 A 9 9 SER C C 9 174.410 174.143 0.267 1
1 27 . 16 1 1 A 9 9 SER CA C 9 57.701 58.326 -0.625 1
1 28 . 16 1 1 A 9 9 SER CB C 9 63.909 64.462 -0.553 1
1 29 . 16 1 1 A 9 9 SER N N 9 115.299 115.311 -0.012 1
1 30 . 16 1 1 A 10 10 GLY H H 10 7.439 8.039 -0.600 1
1 31 . 16 1 1 A 10 10 GLY HA2 H 10 4.383 3.991 0.392 1
1 32 . 16 1 1 A 10 10 GLY HA3 H 10 3.951 4.008 -0.057 1
1 33 . 16 1 1 A 10 10 GLY C C 10 172.743 172.970 -0.227 1
1 34 . 16 1 1 A 10 10 GLY CA C 10 43.924 43.866 0.058 1
1 35 . 16 1 1 A 10 10 GLY N N 10 107.797 108.548 -0.751 1
1 36 . 16 1 1 A 11 11 PHE H H 11 7.534 7.987 -0.453 1
1 37 . 16 1 1 A 11 11 PHE HA H 11 5.519 5.298 0.221 1
1 44 . 16 1 1 A 11 11 PHE C C 11 173.822 174.150 -0.328 1
1 45 . 16 1 1 A 11 11 PHE CA C 11 52.513 54.661 -2.148 1
1 46 . 16 1 1 A 11 11 PHE CB C 11 38.744 41.158 -2.414 1
1 51 . 16 1 1 A 11 11 PHE N N 11 115.246 117.010 -1.764 1
1 52 . 16 1 1 A 12 12 PRO HA H 12 4.285 4.735 -0.450 1
1 59 . 16 1 1 A 12 12 PRO C C 12 175.173 175.384 -0.211 1
1 60 . 16 1 1 A 12 12 PRO CA C 12 63.707 62.582 1.125 1
1 61 . 16 1 1 A 12 12 PRO CB C 12 32.344 33.544 -1.200 1
1 64 . 16 1 1 A 13 13 GLN H H 13 7.469 8.593 -1.124 1
1 65 . 16 1 1 A 13 13 GLN HA H 13 4.511 4.809 -0.298 1
1 72 . 16 1 1 A 13 13 GLN C C 13 175.349 175.165 0.184 1
1 73 . 16 1 1 A 13 13 GLN CA C 13 54.572 54.401 0.171 1
1 74 . 16 1 1 A 13 13 GLN CB C 13 32.848 31.574 1.274 1
1 76 . 16 1 1 A 13 13 GLN N N 13 120.555 118.623 1.932 1
1 78 . 16 1 1 A 14 14 ASN H H 14 8.978 8.882 0.096 1
1 79 . 16 1 1 A 14 14 ASN HA H 14 4.424 4.454 -0.030 1
1 84 . 16 1 1 A 14 14 ASN C C 14 174.770 173.959 0.811 1
1 85 . 16 1 1 A 14 14 ASN CA C 14 54.079 54.253 -0.174 1
1 86 . 16 1 1 A 14 14 ASN CB C 14 37.343 37.059 0.284 1
1 87 . 16 1 1 A 14 14 ASN N N 14 114.024 116.019 -1.995 1
1 89 . 16 1 1 A 15 15 LEU H H 15 8.437 8.001 0.436 1
1 90 . 16 1 1 A 15 15 LEU HA H 15 5.062 4.539 0.523 1
1 100 . 16 1 1 A 15 15 LEU C C 15 177.001 175.621 1.380 1
1 101 . 16 1 1 A 15 15 LEU CA C 15 56.667 55.751 0.916 1
1 102 . 16 1 1 A 15 15 LEU CB C 15 41.720 42.773 -1.053 1
1 106 . 16 1 1 A 15 15 LEU N N 15 121.843 121.944 -0.101 1
1 107 . 16 1 1 A 16 16 HIS H H 16 9.492 8.325 1.167 1
1 108 . 16 1 1 A 16 16 HIS HA H 16 4.987 5.216 -0.229 1
1 113 . 16 1 1 A 16 16 HIS C C 16 171.333 171.798 -0.465 1
1 114 . 16 1 1 A 16 16 HIS CA C 16 55.153 54.782 0.371 1
1 115 . 16 1 1 A 16 16 HIS CB C 16 30.515 31.676 -1.161 1
1 118 . 16 1 1 A 16 16 HIS N N 16 121.636 120.975 0.661 1
1 119 . 16 1 1 A 17 17 VAL H H 17 8.606 8.722 -0.116 1
1 120 . 16 1 1 A 17 17 VAL HA H 17 4.663 4.917 -0.254 1
1 128 . 16 1 1 A 17 17 VAL C C 17 177.740 176.177 1.563 1
1 129 . 16 1 1 A 17 17 VAL CA C 17 61.771 59.531 2.240 1
1 130 . 16 1 1 A 17 17 VAL CB C 17 33.476 34.639 -1.163 1
1 133 . 16 1 1 A 17 17 VAL N N 17 120.868 120.155 0.713 1
1 134 . 16 1 1 A 18 18 THR H H 18 9.022 8.823 0.199 1
1 135 . 16 1 1 A 18 18 THR HA H 18 4.516 4.504 0.012 1
1 140 . 16 1 1 A 18 18 THR C C 18 174.913 174.506 0.407 1
1 141 . 16 1 1 A 18 18 THR CA C 18 61.472 63.119 -1.647 1
1 142 . 16 1 1 A 18 18 THR CB C 18 68.725 70.318 -1.593 1
1 144 . 16 1 1 A 18 18 THR N N 18 117.096 121.949 -4.853 1
1 145 . 16 1 1 A 19 19 GLY H H 19 7.443 7.393 0.050 1
1 146 . 16 1 1 A 19 19 GLY HA2 H 19 4.177 4.064 0.113 1
1 147 . 16 1 1 A 19 19 GLY HA3 H 19 3.909 4.073 -0.164 1
1 148 . 16 1 1 A 19 19 GLY C C 19 170.720 172.905 -2.185 1
1 149 . 16 1 1 A 19 19 GLY CA C 19 45.877 45.648 0.229 1
1 150 . 16 1 1 A 19 19 GLY N N 19 111.594 108.288 3.306 1
1 151 . 16 1 1 A 20 20 LEU H H 20 8.400 8.405 -0.005 1
1 152 . 16 1 1 A 20 20 LEU HA H 20 4.803 4.463 0.340 1
1 162 . 16 1 1 A 20 20 LEU C C 20 175.350 175.949 -0.599 1
1 163 . 16 1 1 A 20 20 LEU CA C 20 55.557 54.282 1.275 1
1 164 . 16 1 1 A 20 20 LEU CB C 20 46.554 43.755 2.799 1
1 168 . 16 1 1 A 20 20 LEU N N 20 121.661 121.575 0.086 1
1 169 . 16 1 1 A 21 21 THR H H 21 7.720 8.496 -0.776 1
1 170 . 16 1 1 A 21 21 THR HA H 21 4.900 4.678 0.222 1
1 175 . 16 1 1 A 21 21 THR C C 21 174.986 175.096 -0.110 1
1 176 . 16 1 1 A 21 21 THR CA C 21 61.049 61.068 -0.019 1
1 177 . 16 1 1 A 21 21 THR CB C 21 71.081 73.051 -1.970 1
1 179 . 16 1 1 A 21 21 THR N N 21 112.043 112.993 -0.950 1
1 180 . 16 1 1 A 22 22 THR H H 22 7.782 8.607 -0.825 1
1 181 . 16 1 1 A 22 22 THR HA H 22 4.657 4.207 0.450 1
1 186 . 16 1 1 A 22 22 THR C C 22 174.110 175.215 -1.105 1
1 187 . 16 1 1 A 22 22 THR CA C 22 63.654 65.160 -1.506 1
1 188 . 16 1 1 A 22 22 THR CB C 22 69.834 68.245 1.589 1
1 190 . 16 1 1 A 22 22 THR N N 22 110.558 118.797 -8.239 1
1 191 . 16 1 1 A 23 23 SER H H 23 7.289 7.734 -0.445 1
1 192 . 16 1 1 A 23 23 SER HA H 23 4.717 4.880 -0.163 1
1 195 . 16 1 1 A 23 23 SER C C 23 173.680 174.391 -0.711 1
1 196 . 16 1 1 A 23 23 SER CA C 23 57.212 58.838 -1.626 1
1 197 . 16 1 1 A 23 23 SER CB C 23 66.012 64.473 1.539 1
1 198 . 16 1 1 A 23 23 SER N N 23 107.116 114.019 -6.903 1
1 199 . 16 1 1 A 24 24 THR H H 24 7.174 7.638 -0.464 1
1 200 . 16 1 1 A 24 24 THR HA H 24 5.377 4.775 0.602 1
1 205 . 16 1 1 A 24 24 THR C C 24 176.427 173.473 2.954 1
1 206 . 16 1 1 A 24 24 THR CA C 24 58.656 59.504 -0.848 1
1 207 . 16 1 1 A 24 24 THR CB C 24 73.018 71.551 1.467 1
1 209 . 16 1 1 A 24 24 THR N N 24 111.053 111.931 -0.878 1
1 210 . 16 1 1 A 25 25 THR H H 25 8.180 8.366 -0.186 1
1 211 . 16 1 1 A 25 25 THR HA H 25 4.608 4.917 -0.309 1
1 216 . 16 1 1 A 25 25 THR C C 25 170.451 173.556 -3.105 1
1 217 . 16 1 1 A 25 25 THR CA C 25 63.619 61.582 2.037 1
1 218 . 16 1 1 A 25 25 THR CB C 25 75.464 71.508 3.956 1
1 220 . 16 1 1 A 25 25 THR N N 25 117.664 115.998 1.666 1
1 221 . 16 1 1 A 26 26 GLU H H 26 9.197 8.742 0.455 1
1 222 . 16 1 1 A 26 26 GLU HA H 26 4.706 4.523 0.183 1
1 227 . 16 1 1 A 26 26 GLU C C 26 174.626 175.466 -0.840 1
1 228 . 16 1 1 A 26 26 GLU CA C 26 55.751 57.078 -1.327 1
1 229 . 16 1 1 A 26 26 GLU CB C 26 30.917 30.894 0.023 1
1 231 . 16 1 1 A 26 26 GLU N N 26 130.706 126.615 4.091 1
1 232 . 16 1 1 A 27 27 LEU H H 27 9.001 8.521 0.480 1
1 233 . 16 1 1 A 27 27 LEU HA H 27 5.273 5.265 0.008 1
1 243 . 16 1 1 A 27 27 LEU C C 27 176.770 175.606 1.164 1
1 244 . 16 1 1 A 27 27 LEU CA C 27 53.165 53.575 -0.410 1
1 245 . 16 1 1 A 27 27 LEU CB C 27 47.693 47.105 0.588 1
1 249 . 16 1 1 A 27 27 LEU N N 27 124.564 120.734 3.830 1
1 250 . 16 1 1 A 28 28 ALA H H 28 8.640 8.536 0.104 1
1 251 . 16 1 1 A 28 28 ALA HA H 28 4.577 4.708 -0.131 1
1 255 . 16 1 1 A 28 28 ALA C C 28 174.523 175.183 -0.660 1
1 256 . 16 1 1 A 28 28 ALA CA C 28 51.404 51.981 -0.577 1
1 257 . 16 1 1 A 28 28 ALA CB C 28 23.304 20.702 2.602 1
1 258 . 16 1 1 A 28 28 ALA N N 28 122.531 121.335 1.196 1
1 259 . 16 1 1 A 29 29 TRP H H 29 7.581 8.187 -0.606 1
1 260 . 16 1 1 A 29 29 TRP HA H 29 4.868 5.656 -0.788 1
1 269 . 16 1 1 A 29 29 TRP C C 29 172.280 173.255 -0.975 1
1 270 . 16 1 1 A 29 29 TRP CA C 29 56.948 54.438 2.510 1
1 271 . 16 1 1 A 29 29 TRP CB C 29 29.667 32.266 -2.599 1
1 277 . 16 1 1 A 29 29 TRP N N 29 115.551 120.887 -5.336 1
1 279 . 16 1 1 A 30 30 ASP H H 30 9.276 9.362 -0.086 1
1 280 . 16 1 1 A 30 30 ASP HA H 30 5.443 5.028 0.415 1
1 283 . 16 1 1 A 30 30 ASP C C 30 173.846 173.670 0.176 1
1 284 . 16 1 1 A 30 30 ASP CA C 30 51.562 50.913 0.649 1
1 285 . 16 1 1 A 30 30 ASP CB C 30 42.533 42.437 0.096 1
1 286 . 16 1 1 A 30 30 ASP N N 30 117.265 120.129 -2.864 1
1 287 . 16 1 1 A 31 31 PRO HA H 31 5.105 4.916 0.189 1
1 294 . 16 1 1 A 31 31 PRO CA C 31 61.905 61.497 0.408 1
1 295 . 16 1 1 A 31 31 PRO CB C 31 29.864 31.356 -1.492 1
1 298 . 16 1 1 A 32 32 PRO HA H 32 4.580 4.482 0.098 1
1 305 . 16 1 1 A 32 32 PRO CA C 32 62.036 62.816 -0.780 1
1 306 . 16 1 1 A 32 32 PRO CB C 32 30.840 32.077 -1.237 1
1 309 . 16 1 1 A 33 33 VAL H H 33 8.755 8.069 0.686 1
1 310 . 16 1 1 A 33 33 VAL HA H 33 3.994 4.228 -0.234 1
1 318 . 16 1 1 A 33 33 VAL CA C 33 62.553 62.132 0.421 1
1 319 . 16 1 1 A 33 33 VAL CB C 33 31.763 32.526 -0.763 1
1 322 . 16 1 1 A 33 33 VAL N N 33 120.113 119.411 0.702 1
1 323 . 16 1 1 A 34 34 LEU H H 34 8.469 8.730 -0.261 1
1 324 . 16 1 1 A 34 34 LEU HA H 34 3.768 4.007 -0.239 1
1 334 . 16 1 1 A 34 34 LEU CA C 34 58.809 57.587 1.222 1
1 335 . 16 1 1 A 34 34 LEU CB C 34 42.426 41.476 0.950 1
1 339 . 16 1 1 A 34 34 LEU N N 34 125.095 124.220 0.875 1
1 340 . 16 1 1 A 35 35 ALA H H 35 8.586 7.996 0.590 1
1 341 . 16 1 1 A 35 35 ALA HA H 35 4.171 4.039 0.132 1
1 345 . 16 1 1 A 35 35 ALA CA C 35 53.957 55.500 -1.543 1
1 346 . 16 1 1 A 35 35 ALA CB C 35 19.056 18.031 1.025 1
1 347 . 16 1 1 A 35 35 ALA N N 35 119.010 122.683 -3.673 1
1 348 . 16 1 1 A 36 36 GLU H H 36 8.070 7.498 0.572 1
1 349 . 16 1 1 A 36 36 GLU HA H 36 4.305 4.217 0.088 1
1 354 . 16 1 1 A 36 36 GLU CA C 36 55.527 58.270 -2.743 1
1 355 . 16 1 1 A 36 36 GLU CB C 36 29.845 30.083 -0.238 1
1 357 . 16 1 1 A 36 36 GLU N N 36 115.604 116.073 -0.469 1
1 358 . 16 1 1 A 37 37 ARG HA H 37 3.758 4.255 -0.497 1
1 365 . 16 1 1 A 37 37 ARG CA C 37 60.050 56.880 3.170 1
1 366 . 16 1 1 A 37 37 ARG CB C 37 30.804 30.751 0.053 1
1 369 . 16 1 1 A 37 37 ARG N N 37 122.198 119.164 3.034 1
1 370 . 16 1 1 A 38 38 ASN H H 38 8.093 9.033 -0.940 1
1 371 . 16 1 1 A 38 38 ASN HA H 38 4.291 4.947 -0.656 1
1 376 . 16 1 1 A 38 38 ASN C C 38 174.619 174.731 -0.112 1
1 377 . 16 1 1 A 38 38 ASN CA C 38 53.287 52.864 0.423 1
1 378 . 16 1 1 A 38 38 ASN CB C 38 37.482 38.980 -1.498 1
1 379 . 16 1 1 A 38 38 ASN N N 38 109.319 123.013 -13.694 1
1 381 . 16 1 1 A 39 39 GLY H H 39 7.575 7.499 0.076 1
1 382 . 16 1 1 A 39 39 GLY HA2 H 39 4.320 4.151 0.169 1
1 383 . 16 1 1 A 39 39 GLY HA3 H 39 3.697 4.153 -0.456 1
1 384 . 16 1 1 A 39 39 GLY C C 39 172.138 171.869 0.269 1
1 385 . 16 1 1 A 39 39 GLY CA C 39 43.766 45.805 -2.039 1
1 386 . 16 1 1 A 39 39 GLY N N 39 105.607 107.077 -1.470 1
1 387 . 16 1 1 A 40 40 ARG H H 40 8.180 8.325 -0.145 1
1 388 . 16 1 1 A 40 40 ARG HA H 40 4.333 5.182 -0.849 1
1 395 . 16 1 1 A 40 40 ARG C C 40 176.395 174.622 1.773 1
1 396 . 16 1 1 A 40 40 ARG CA C 40 55.453 54.008 1.445 1
1 397 . 16 1 1 A 40 40 ARG CB C 40 30.999 34.361 -3.362 1
1 400 . 16 1 1 A 40 40 ARG N N 40 119.566 122.654 -3.088 1
1 401 . 16 1 1 A 41 41 ILE H H 41 8.991 8.830 0.161 1
1 402 . 16 1 1 A 41 41 ILE HA H 41 4.256 4.931 -0.675 1
1 412 . 16 1 1 A 41 41 ILE CA C 41 59.279 60.187 -0.908 1
1 413 . 16 1 1 A 41 41 ILE CB C 41 35.329 40.658 -5.329 1
1 417 . 16 1 1 A 41 41 ILE N N 41 127.226 121.410 5.816 1
1 418 . 16 1 1 A 42 42 ILE H H 42 8.721 8.736 -0.015 1
1 419 . 16 1 1 A 42 42 ILE HA H 42 4.475 4.519 -0.044 1
1 429 . 16 1 1 A 42 42 ILE C C 42 175.959 175.848 0.111 1
1 430 . 16 1 1 A 42 42 ILE CA C 42 61.208 61.269 -0.061 1
1 431 . 16 1 1 A 42 42 ILE CB C 42 39.771 39.766 0.005 1
1 435 . 16 1 1 A 42 42 ILE N N 42 122.018 120.693 1.325 1
1 436 . 16 1 1 A 43 43 SER H H 43 7.425 7.492 -0.067 1
1 437 . 16 1 1 A 43 43 SER HA H 43 4.555 4.833 -0.278 1
1 440 . 16 1 1 A 43 43 SER C C 43 170.232 171.619 -1.387 1
1 441 . 16 1 1 A 43 43 SER CA C 43 58.234 57.280 0.954 1
1 442 . 16 1 1 A 43 43 SER CB C 43 64.287 65.152 -0.865 1
1 443 . 16 1 1 A 43 43 SER N N 43 113.043 115.759 -2.716 1
1 444 . 16 1 1 A 44 44 TYR H H 44 9.297 8.490 0.807 1
1 445 . 16 1 1 A 44 44 TYR HA H 44 5.741 5.683 0.058 1
1 452 . 16 1 1 A 44 44 TYR C C 44 175.735 175.156 0.579 1
1 453 . 16 1 1 A 44 44 TYR CA C 44 57.137 56.543 0.594 1
1 454 . 16 1 1 A 44 44 TYR CB C 44 42.410 43.367 -0.957 1
1 459 . 16 1 1 A 44 44 TYR N N 44 116.157 120.863 -4.706 1
1 460 . 16 1 1 A 45 45 THR H H 45 8.778 8.937 -0.159 1
1 461 . 16 1 1 A 45 45 THR HA H 45 5.094 5.181 -0.087 1
1 466 . 16 1 1 A 45 45 THR C C 45 173.026 173.446 -0.420 1
1 467 . 16 1 1 A 45 45 THR CA C 45 61.853 61.725 0.128 1
1 468 . 16 1 1 A 45 45 THR CB C 45 71.072 70.348 0.724 1
1 470 . 16 1 1 A 45 45 THR N N 45 114.801 116.342 -1.541 1
1 471 . 16 1 1 A 46 46 VAL H H 46 9.145 8.936 0.209 1
1 472 . 16 1 1 A 46 46 VAL HA H 46 4.244 4.754 -0.510 1
1 480 . 16 1 1 A 46 46 VAL C C 46 174.278 175.258 -0.980 1
1 481 . 16 1 1 A 46 46 VAL CA C 46 61.137 61.634 -0.497 1
1 482 . 16 1 1 A 46 46 VAL CB C 46 32.999 31.405 1.594 1
1 485 . 16 1 1 A 46 46 VAL N N 46 127.180 127.661 -0.481 1
1 486 . 16 1 1 A 47 47 VAL H H 47 9.041 8.926 0.115 1
1 487 . 16 1 1 A 47 47 VAL HA H 47 5.004 4.668 0.336 1
1 495 . 16 1 1 A 47 47 VAL C C 47 175.023 175.394 -0.371 1
1 496 . 16 1 1 A 47 47 VAL CA C 47 60.996 61.852 -0.856 1
1 497 . 16 1 1 A 47 47 VAL CB C 47 33.488 31.754 1.734 1
1 500 . 16 1 1 A 47 47 VAL N N 47 128.169 128.509 -0.340 1
1 501 . 16 1 1 A 48 48 PHE H H 48 9.169 9.249 -0.080 1
1 502 . 16 1 1 A 48 48 PHE HA H 48 6.209 6.115 0.094 1
1 510 . 16 1 1 A 48 48 PHE C C 48 173.210 173.735 -0.525 1
1 511 . 16 1 1 A 48 48 PHE CA C 48 54.702 55.394 -0.692 1
1 512 . 16 1 1 A 48 48 PHE CB C 48 43.316 41.823 1.493 1
1 518 . 16 1 1 A 48 48 PHE N N 48 123.753 124.689 -0.936 1
1 519 . 16 1 1 A 49 49 ARG H H 49 8.693 8.867 -0.174 1
1 520 . 16 1 1 A 49 49 ARG HA H 49 4.817 4.771 0.046 1
1 528 . 16 1 1 A 49 49 ARG C C 49 175.280 174.222 1.058 1
1 529 . 16 1 1 A 49 49 ARG CA C 49 54.801 54.755 0.046 1
1 530 . 16 1 1 A 49 49 ARG CB C 49 35.242 34.179 1.063 1
1 533 . 16 1 1 A 49 49 ARG N N 49 118.793 121.833 -3.040 1
1 535 . 16 1 1 A 50 50 ASP H H 50 8.820 8.865 -0.045 1
1 536 . 16 1 1 A 50 50 ASP HA H 50 4.029 4.613 -0.584 1
1 539 . 16 1 1 A 50 50 ASP C C 50 178.592 177.073 1.519 1
1 540 . 16 1 1 A 50 50 ASP CA C 50 53.498 53.912 -0.414 1
1 541 . 16 1 1 A 50 50 ASP CB C 50 40.543 41.439 -0.896 1
1 542 . 16 1 1 A 50 50 ASP N N 50 128.720 125.666 3.054 1
1 543 . 16 1 1 A 51 51 ILE H H 51 8.315 8.425 -0.110 1
1 544 . 16 1 1 A 51 51 ILE HA H 51 3.892 3.757 0.135 1
1 554 . 16 1 1 A 51 51 ILE C C 51 176.905 176.521 0.384 1
1 555 . 16 1 1 A 51 51 ILE CA C 51 64.569 63.651 0.918 1
1 556 . 16 1 1 A 51 51 ILE CB C 51 38.126 37.625 0.501 1
1 560 . 16 1 1 A 51 51 ILE N N 51 124.642 122.821 1.821 1
1 561 . 16 1 1 A 52 52 ASN H H 52 8.677 8.011 0.666 1
1 562 . 16 1 1 A 52 52 ASN HA H 52 4.760 4.819 -0.059 1
1 567 . 16 1 1 A 52 52 ASN C C 52 174.645 174.762 -0.117 1
1 568 . 16 1 1 A 52 52 ASN CA C 52 53.851 53.632 0.219 1
1 569 . 16 1 1 A 52 52 ASN CB C 52 39.032 39.153 -0.121 1
1 570 . 16 1 1 A 52 52 ASN N N 52 119.201 118.847 0.354 1
1 572 . 16 1 1 A 53 53 SER H H 53 8.409 8.308 0.101 1
1 573 . 16 1 1 A 53 53 SER HA H 53 4.663 4.992 -0.329 1
1 576 . 16 1 1 A 53 53 SER C C 53 173.861 173.599 0.262 1
1 577 . 16 1 1 A 53 53 SER CA C 53 56.702 57.633 -0.931 1
1 578 . 16 1 1 A 53 53 SER CB C 53 65.730 67.418 -1.688 1
1 579 . 16 1 1 A 53 53 SER N N 53 116.494 115.290 1.204 1
1 580 . 16 1 1 A 54 54 GLN H H 54 8.489 8.688 -0.199 1
1 581 . 16 1 1 A 54 54 GLN HA H 54 4.329 4.627 -0.298 1
1 588 . 16 1 1 A 54 54 GLN C C 54 175.789 174.937 0.852 1
1 589 . 16 1 1 A 54 54 GLN CA C 54 55.857 54.890 0.967 1
1 590 . 16 1 1 A 54 54 GLN CB C 54 28.847 29.340 -0.493 1
1 592 . 16 1 1 A 54 54 GLN N N 54 119.700 122.429 -2.729 1
1 594 . 16 1 1 A 55 55 GLN H H 55 8.108 7.659 0.449 1
1 595 . 16 1 1 A 55 55 GLN HA H 55 4.269 4.684 -0.415 1
1 602 . 16 1 1 A 55 55 GLN C C 55 174.076 174.439 -0.363 1
1 603 . 16 1 1 A 55 55 GLN CA C 55 55.689 54.853 0.836 1
1 604 . 16 1 1 A 55 55 GLN CB C 55 29.352 30.008 -0.656 1
1 606 . 16 1 1 A 55 55 GLN N N 55 120.355 122.430 -2.075 1
1 608 . 16 1 1 A 56 56 GLU H H 56 8.603 8.817 -0.214 1
1 609 . 16 1 1 A 56 56 GLU HA H 56 4.372 4.734 -0.362 1
1 614 . 16 1 1 A 56 56 GLU C C 56 175.058 175.397 -0.339 1
1 615 . 16 1 1 A 56 56 GLU CA C 56 55.594 56.045 -0.451 1
1 616 . 16 1 1 A 56 56 GLU CB C 56 31.640 30.871 0.769 1
1 618 . 16 1 1 A 56 56 GLU N N 56 126.250 128.601 -2.351 1
1 619 . 16 1 1 A 57 57 LEU H H 57 8.520 7.930 0.590 1
1 620 . 16 1 1 A 57 57 LEU HA H 57 4.458 4.666 -0.208 1
1 630 . 16 1 1 A 57 57 LEU C C 57 174.850 174.709 0.141 1
1 631 . 16 1 1 A 57 57 LEU CA C 57 53.780 53.392 0.388 1
1 632 . 16 1 1 A 57 57 LEU CB C 57 43.903 46.313 -2.410 1
1 636 . 16 1 1 A 57 57 LEU N N 57 127.205 126.322 0.883 1
1 637 . 16 1 1 A 58 58 GLN H H 58 7.992 8.572 -0.580 1
1 638 . 16 1 1 A 58 58 GLN HA H 58 5.865 5.497 0.368 1
1 645 . 16 1 1 A 58 58 GLN C C 58 175.948 174.254 1.694 1
1 646 . 16 1 1 A 58 58 GLN CA C 58 53.944 53.904 0.040 1
1 647 . 16 1 1 A 58 58 GLN CB C 58 32.786 33.391 -0.605 1
1 649 . 16 1 1 A 58 58 GLN N N 58 113.562 120.457 -6.895 1
1 651 . 16 1 1 A 59 59 ASN H H 59 9.073 8.648 0.425 1
1 652 . 16 1 1 A 59 59 ASN HA H 59 5.068 5.277 -0.209 1
1 657 . 16 1 1 A 59 59 ASN C C 59 172.790 174.093 -1.303 1
1 658 . 16 1 1 A 59 59 ASN CA C 59 53.023 51.910 1.113 1
1 659 . 16 1 1 A 59 59 ASN CB C 59 45.541 42.993 2.548 1
1 660 . 16 1 1 A 59 59 ASN N N 59 119.984 117.065 2.919 1
1 662 . 16 1 1 A 60 60 ILE H H 60 8.491 8.401 0.090 1
1 663 . 16 1 1 A 60 60 ILE HA H 60 5.147 5.157 -0.010 1
1 673 . 16 1 1 A 60 60 ILE C C 60 175.088 174.589 0.499 1
1 674 . 16 1 1 A 60 60 ILE CA C 60 59.853 60.092 -0.239 1
1 675 . 16 1 1 A 60 60 ILE CB C 60 40.891 41.266 -0.375 1
1 679 . 16 1 1 A 60 60 ILE N N 60 119.480 120.626 -1.146 1
1 680 . 16 1 1 A 61 61 THR H H 61 8.755 8.350 0.405 1
1 681 . 16 1 1 A 61 61 THR HA H 61 4.976 5.179 -0.203 1
1 686 . 16 1 1 A 61 61 THR C C 61 172.097 173.680 -1.583 1
1 687 . 16 1 1 A 61 61 THR CA C 61 59.905 60.158 -0.253 1
1 688 . 16 1 1 A 61 61 THR CB C 61 69.505 71.417 -1.912 1
1 690 . 16 1 1 A 61 61 THR N N 61 118.083 119.705 -1.622 1
1 691 . 16 1 1 A 62 62 THR H H 62 8.325 8.528 -0.203 1
1 692 . 16 1 1 A 62 62 THR HA H 62 4.641 4.550 0.091 1
1 697 . 16 1 1 A 62 62 THR C C 62 174.386 173.108 1.278 1
1 698 . 16 1 1 A 62 62 THR CA C 62 62.440 62.109 0.331 1
1 699 . 16 1 1 A 62 62 THR CB C 62 69.355 68.747 0.608 1
1 701 . 16 1 1 A 62 62 THR N N 62 115.077 117.335 -2.258 1
1 702 . 16 1 1 A 63 63 ASP H H 63 8.611 7.684 0.927 1
1 703 . 16 1 1 A 63 63 ASP HA H 63 4.962 5.052 -0.090 1
1 706 . 16 1 1 A 63 63 ASP C C 63 172.906 176.472 -3.566 1
1 707 . 16 1 1 A 63 63 ASP CA C 63 52.981 53.176 -0.195 1
1 708 . 16 1 1 A 63 63 ASP CB C 63 43.465 44.735 -1.270 1
1 709 . 16 1 1 A 63 63 ASP N N 63 125.713 120.917 4.796 1
1 710 . 16 1 1 A 64 64 THR H H 64 7.925 8.259 -0.334 1
1 711 . 16 1 1 A 64 64 THR HA H 64 3.088 3.665 -0.577 1
1 716 . 16 1 1 A 64 64 THR C C 64 172.176 171.879 0.297 1
1 717 . 16 1 1 A 64 64 THR CA C 64 59.078 61.358 -2.280 1
1 718 . 16 1 1 A 64 64 THR CB C 64 66.137 68.168 -2.031 1
1 720 . 16 1 1 A 64 64 THR N N 64 104.287 112.496 -8.209 1
1 721 . 16 1 1 A 65 65 ARG H H 65 6.387 7.314 -0.927 1
1 722 . 16 1 1 A 65 65 ARG HA H 65 4.221 3.803 0.418 1
1 729 . 16 1 1 A 65 65 ARG C C 65 174.862 174.287 0.575 1
1 730 . 16 1 1 A 65 65 ARG CA C 65 54.132 53.617 0.515 1
1 731 . 16 1 1 A 65 65 ARG CB C 65 32.928 34.024 -1.096 1
1 734 . 16 1 1 A 65 65 ARG N N 65 115.062 118.503 -3.441 1
1 735 . 16 1 1 A 66 66 PHE H H 66 8.177 8.996 -0.819 1
1 736 . 16 1 1 A 66 66 PHE HA H 66 4.373 4.973 -0.600 1
1 744 . 16 1 1 A 66 66 PHE C C 66 172.804 173.087 -0.283 1
1 745 . 16 1 1 A 66 66 PHE CA C 66 59.536 58.111 1.425 1
1 746 . 16 1 1 A 66 66 PHE CB C 66 44.469 42.683 1.786 1
1 752 . 16 1 1 A 66 66 PHE N N 66 119.991 120.262 -0.271 1
1 753 . 16 1 1 A 67 67 THR H H 67 7.332 7.622 -0.290 1
1 754 . 16 1 1 A 67 67 THR HA H 67 4.628 5.054 -0.426 1
1 759 . 16 1 1 A 67 67 THR C C 67 172.910 173.975 -1.065 1
1 760 . 16 1 1 A 67 67 THR CA C 67 61.261 61.059 0.202 1
1 761 . 16 1 1 A 67 67 THR CB C 67 69.260 70.508 -1.248 1
1 763 . 16 1 1 A 67 67 THR N N 67 123.294 119.326 3.968 1
1 764 . 16 1 1 A 68 68 LEU H H 68 8.776 9.127 -0.351 1
1 765 . 16 1 1 A 68 68 LEU HA H 68 4.192 4.311 -0.119 1
1 775 . 16 1 1 A 68 68 LEU C C 68 176.337 175.898 0.439 1
1 776 . 16 1 1 A 68 68 LEU CA C 68 54.394 54.716 -0.322 1
1 777 . 16 1 1 A 68 68 LEU CB C 68 42.394 42.120 0.274 1
1 781 . 16 1 1 A 68 68 LEU N N 68 126.969 127.754 -0.785 1
1 782 . 16 1 1 A 69 69 THR H H 69 7.921 8.163 -0.242 1
1 783 . 16 1 1 A 69 69 THR HA H 69 4.814 4.643 0.171 1
1 788 . 16 1 1 A 69 69 THR C C 69 173.856 173.501 0.355 1
1 789 . 16 1 1 A 69 69 THR CA C 69 59.694 60.497 -0.803 1
1 790 . 16 1 1 A 69 69 THR CB C 69 71.829 71.556 0.273 1
1 792 . 16 1 1 A 69 69 THR N N 69 111.246 111.406 -0.160 1
1 793 . 16 1 1 A 70 70 GLY H H 70 8.894 8.681 0.213 1
1 794 . 16 1 1 A 70 70 GLY HA2 H 70 3.930 3.847 0.083 1
1 795 . 16 1 1 A 70 70 GLY HA3 H 70 3.809 3.866 -0.057 1
1 796 . 16 1 1 A 70 70 GLY C C 70 175.589 174.703 0.886 1
1 797 . 16 1 1 A 70 70 GLY CA C 70 46.178 46.862 -0.684 1
1 798 . 16 1 1 A 70 70 GLY N N 70 107.415 111.644 -4.229 1
1 799 . 16 1 1 A 71 71 LEU H H 71 8.341 7.798 0.543 1
1 800 . 16 1 1 A 71 71 LEU HA H 71 4.195 4.731 -0.536 1
1 810 . 16 1 1 A 71 71 LEU C C 71 175.422 175.309 0.113 1
1 811 . 16 1 1 A 71 71 LEU CA C 71 53.429 53.233 0.196 1
1 812 . 16 1 1 A 71 71 LEU CB C 71 40.650 43.541 -2.891 1
1 816 . 16 1 1 A 71 71 LEU N N 71 118.621 120.279 -1.658 1
1 817 . 16 1 1 A 72 72 LYS H H 72 8.298 9.370 -1.072 1
1 818 . 16 1 1 A 72 72 LYS HA H 72 4.631 4.679 -0.048 1
1 827 . 16 1 1 A 72 72 LYS C C 72 174.599 175.461 -0.862 1
1 828 . 16 1 1 A 72 72 LYS CA C 72 53.851 54.037 -0.186 1
1 829 . 16 1 1 A 72 72 LYS CB C 72 33.619 34.065 -0.446 1
1 833 . 16 1 1 A 72 72 LYS N N 72 121.340 122.446 -1.106 1
1 834 . 16 1 1 A 73 73 PRO HA H 73 5.086 4.748 0.338 1
1 841 . 16 1 1 A 73 73 PRO C C 73 178.198 177.210 0.988 1
1 842 . 16 1 1 A 73 73 PRO CA C 73 62.897 63.544 -0.647 1
1 843 . 16 1 1 A 73 73 PRO CB C 73 33.198 32.109 1.089 1
1 846 . 16 1 1 A 74 74 ASP H H 74 7.537 9.016 -1.479 1
1 847 . 16 1 1 A 74 74 ASP HA H 74 4.290 4.269 0.021 1
1 850 . 16 1 1 A 74 74 ASP C C 74 174.390 174.693 -0.303 1
1 851 . 16 1 1 A 74 74 ASP CA C 74 54.343 55.154 -0.811 1
1 852 . 16 1 1 A 74 74 ASP CB C 74 41.393 39.763 1.630 1
1 853 . 16 1 1 A 74 74 ASP N N 74 126.834 121.611 5.223 1
1 854 . 16 1 1 A 75 75 THR H H 75 8.197 7.211 0.986 1
1 855 . 16 1 1 A 75 75 THR HA H 75 4.316 4.850 -0.534 1
1 860 . 16 1 1 A 75 75 THR C C 75 172.076 173.388 -1.312 1
1 861 . 16 1 1 A 75 75 THR CA C 75 63.087 61.283 1.804 1
1 862 . 16 1 1 A 75 75 THR CB C 75 71.822 72.372 -0.550 1
1 864 . 16 1 1 A 75 75 THR N N 75 113.905 112.318 1.587 1
1 865 . 16 1 1 A 76 76 THR H H 76 8.606 8.693 -0.087 1
1 866 . 16 1 1 A 76 76 THR HA H 76 4.641 4.399 0.242 1
1 871 . 16 1 1 A 76 76 THR C C 76 172.308 173.951 -1.643 1
1 872 . 16 1 1 A 76 76 THR CA C 76 63.197 63.366 -0.169 1
1 873 . 16 1 1 A 76 76 THR CB C 76 68.333 69.323 -0.990 1
1 875 . 16 1 1 A 76 76 THR N N 76 124.170 121.138 3.032 1
1 876 . 16 1 1 A 77 77 TYR H H 77 9.230 8.876 0.354 1
1 877 . 16 1 1 A 77 77 TYR HA H 77 5.084 5.054 0.030 1
1 884 . 16 1 1 A 77 77 TYR C C 77 174.065 174.394 -0.329 1
1 885 . 16 1 1 A 77 77 TYR CA C 77 57.443 56.354 1.089 1
1 886 . 16 1 1 A 77 77 TYR CB C 77 41.115 40.176 0.939 1
1 891 . 16 1 1 A 77 77 TYR N N 77 125.729 125.962 -0.233 1
1 892 . 16 1 1 A 78 78 ASP H H 78 9.222 9.298 -0.076 1
1 893 . 16 1 1 A 78 78 ASP HA H 78 5.288 4.823 0.465 1
1 896 . 16 1 1 A 78 78 ASP C C 78 176.268 174.816 1.452 1
1 897 . 16 1 1 A 78 78 ASP CA C 78 53.565 54.394 -0.829 1
1 898 . 16 1 1 A 78 78 ASP CB C 78 44.874 40.903 3.971 1
1 899 . 16 1 1 A 78 78 ASP N N 78 124.016 125.665 -1.649 1
1 900 . 16 1 1 A 79 79 ILE H H 79 9.210 8.578 0.632 1
1 901 . 16 1 1 A 79 79 ILE HA H 79 5.027 5.306 -0.279 1
1 911 . 16 1 1 A 79 79 ILE C C 79 172.968 174.717 -1.749 1
1 912 . 16 1 1 A 79 79 ILE CA C 79 61.102 59.826 1.276 1
1 913 . 16 1 1 A 79 79 ILE CB C 79 41.830 40.366 1.464 1
1 917 . 16 1 1 A 79 79 ILE N N 79 127.527 127.432 0.095 1
1 918 . 16 1 1 A 80 80 LYS H H 80 8.930 8.994 -0.064 1
1 919 . 16 1 1 A 80 80 LYS HA H 80 4.282 5.073 -0.791 1
1 928 . 16 1 1 A 80 80 LYS C C 80 173.716 174.252 -0.536 1
1 929 . 16 1 1 A 80 80 LYS CA C 80 54.749 54.040 0.709 1
1 930 . 16 1 1 A 80 80 LYS CB C 80 37.864 36.673 1.191 1
1 934 . 16 1 1 A 80 80 LYS N N 80 122.620 124.500 -1.880 1
1 935 . 16 1 1 A 81 81 VAL H H 81 8.070 8.723 -0.653 1
1 936 . 16 1 1 A 81 81 VAL HA H 81 5.365 5.053 0.312 1
1 944 . 16 1 1 A 81 81 VAL C C 81 174.099 173.551 0.548 1
1 945 . 16 1 1 A 81 81 VAL CA C 81 59.228 59.452 -0.224 1
1 946 . 16 1 1 A 81 81 VAL CB C 81 36.108 35.072 1.036 1
1 949 . 16 1 1 A 81 81 VAL N N 81 115.045 119.145 -4.100 1
1 950 . 16 1 1 A 82 82 ARG H H 82 8.733 8.889 -0.156 1
1 951 . 16 1 1 A 82 82 ARG HA H 82 4.984 5.099 -0.115 1
1 959 . 16 1 1 A 82 82 ARG C C 82 172.874 174.383 -1.509 1
1 960 . 16 1 1 A 82 82 ARG CA C 82 53.552 54.871 -1.319 1
1 961 . 16 1 1 A 82 82 ARG CB C 82 34.521 33.982 0.539 1
1 964 . 16 1 1 A 82 82 ARG N N 82 122.032 123.219 -1.187 1
1 966 . 16 1 1 A 83 83 ALA H H 83 9.221 8.541 0.680 1
1 967 . 16 1 1 A 83 83 ALA HA H 83 5.132 4.169 0.963 1
1 971 . 16 1 1 A 83 83 ALA C C 83 174.998 176.871 -1.873 1
1 972 . 16 1 1 A 83 83 ALA CA C 83 50.383 51.727 -1.344 1
1 973 . 16 1 1 A 83 83 ALA CB C 83 23.472 19.724 3.748 1
1 974 . 16 1 1 A 83 83 ALA N N 83 124.044 125.644 -1.600 1
1 975 . 16 1 1 A 84 84 TRP H H 84 8.387 8.842 -0.455 1
1 976 . 16 1 1 A 84 84 TRP HA H 84 5.020 5.424 -0.404 1
1 985 . 16 1 1 A 84 84 TRP C C 84 177.430 175.513 1.917 1
1 986 . 16 1 1 A 84 84 TRP CA C 84 56.807 56.046 0.761 1
1 987 . 16 1 1 A 84 84 TRP CB C 84 31.235 32.261 -1.026 1
1 993 . 16 1 1 A 84 84 TRP N N 84 117.779 120.832 -3.053 1
1 995 . 16 1 1 A 85 85 THR H H 85 8.698 9.180 -0.482 1
1 996 . 16 1 1 A 85 85 THR HA H 85 5.190 5.159 0.031 1
1 1001 . 16 1 1 A 85 85 THR C C 85 176.429 176.032 0.397 1
1 1002 . 16 1 1 A 85 85 THR CA C 85 59.958 59.865 0.093 1
1 1003 . 16 1 1 A 85 85 THR CB C 85 72.646 71.852 0.794 1
1 1005 . 16 1 1 A 85 85 THR N N 85 111.404 113.511 -2.107 1
1 1006 . 16 1 1 A 86 86 SER H H 86 9.765 9.306 0.459 1
1 1007 . 16 1 1 A 86 86 SER HA H 86 4.242 4.056 0.186 1
1 1010 . 16 1 1 A 86 86 SER C C 86 174.834 176.827 -1.993 1
1 1011 . 16 1 1 A 86 86 SER CA C 86 61.014 62.260 -1.246 1
1 1012 . 16 1 1 A 86 86 SER CB C 86 62.807 62.902 -0.095 1
1 1013 . 16 1 1 A 86 86 SER N N 86 115.745 119.161 -3.416 1
1 1014 . 16 1 1 A 87 87 LYS H H 87 7.947 7.823 0.124 1
1 1015 . 16 1 1 A 87 87 LYS HA H 87 4.426 4.232 0.194 1
1 1024 . 16 1 1 A 87 87 LYS C C 87 176.373 176.893 -0.520 1
1 1025 . 16 1 1 A 87 87 LYS CA C 87 55.857 58.719 -2.862 1
1 1026 . 16 1 1 A 87 87 LYS CB C 87 33.386 32.882 0.504 1
1 1030 . 16 1 1 A 87 87 LYS N N 87 118.254 118.315 -0.061 1
1 1031 . 16 1 1 A 88 88 GLY H H 88 7.400 7.004 0.396 1
1 1032 . 16 1 1 A 88 88 GLY HA2 H 88 4.446 4.074 0.372 1
1 1033 . 16 1 1 A 88 88 GLY HA3 H 88 3.990 4.184 -0.194 1
1 1034 . 16 1 1 A 88 88 GLY C C 88 171.366 171.460 -0.094 1
1 1035 . 16 1 1 A 88 88 GLY CA C 88 45.006 45.907 -0.901 1
1 1036 . 16 1 1 A 88 88 GLY N N 88 106.086 103.881 2.205 1
1 1037 . 16 1 1 A 89 89 SER H H 89 8.048 8.161 -0.113 1
1 1038 . 16 1 1 A 89 89 SER HA H 89 3.899 4.474 -0.575 1
1 1041 . 16 1 1 A 89 89 SER CA C 89 56.522 54.962 1.560 1
1 1042 . 16 1 1 A 89 89 SER CB C 89 63.965 64.831 -0.866 1
1 1043 . 16 1 1 A 89 89 SER N N 89 113.549 115.643 -2.094 1
1 1044 . 16 1 1 A 90 90 GLY H H 90 8.282 7.922 0.360 1
1 1045 . 16 1 1 A 90 90 GLY HA2 H 90 4.637 4.036 0.601 1
1 1046 . 16 1 1 A 90 90 GLY HA3 H 90 3.696 4.051 -0.355 1
1 1047 . 16 1 1 A 90 90 GLY CA C 90 44.399 44.209 0.190 1
1 1048 . 16 1 1 A 90 90 GLY N N 90 109.030 110.131 -1.101 1
1 1049 . 16 1 1 A 91 91 PRO HA H 91 4.448 4.539 -0.091 1
1 1056 . 16 1 1 A 91 91 PRO C C 91 177.760 175.192 2.568 1
1 1057 . 16 1 1 A 91 91 PRO CA C 91 62.229 62.519 -0.290 1
1 1058 . 16 1 1 A 91 91 PRO CB C 91 32.367 33.369 -1.002 1
1 1061 . 16 1 1 A 92 92 LEU H H 92 8.373 8.308 0.065 1
1 1062 . 16 1 1 A 92 92 LEU HA H 92 4.110 4.737 -0.627 1
1 1072 . 16 1 1 A 92 92 LEU C C 92 176.841 176.376 0.465 1
1 1073 . 16 1 1 A 92 92 LEU CA C 92 55.163 53.545 1.618 1
1 1074 . 16 1 1 A 92 92 LEU CB C 92 43.188 43.918 -0.730 1
1 1078 . 16 1 1 A 92 92 LEU N N 92 121.096 121.923 -0.827 1
1 1079 . 16 1 1 A 93 93 SER H H 93 8.629 9.127 -0.498 1
1 1080 . 16 1 1 A 93 93 SER HA H 93 3.683 4.222 -0.539 1
1 1083 . 16 1 1 A 93 93 SER C C 93 171.637 173.733 -2.096 1
1 1084 . 16 1 1 A 93 93 SER CA C 93 56.900 56.928 -0.028 1
1 1085 . 16 1 1 A 93 93 SER CB C 93 62.923 62.818 0.105 1
1 1086 . 16 1 1 A 93 93 SER N N 93 116.072 121.171 -5.099 1
1 1087 . 16 1 1 A 94 94 PRO HA H 94 4.330 4.509 -0.179 1
1 1094 . 16 1 1 A 94 94 PRO C C 94 178.093 177.182 0.911 1
1 1095 . 16 1 1 A 94 94 PRO CA C 94 63.309 62.646 0.663 1
1 1096 . 16 1 1 A 94 94 PRO CB C 94 31.463 31.764 -0.301 1
1 1099 . 16 1 1 A 95 95 SER H H 95 8.722 8.336 0.386 1
1 1100 . 16 1 1 A 95 95 SER HA H 95 4.923 4.938 -0.015 1
1 1103 . 16 1 1 A 95 95 SER C C 95 176.215 175.268 0.947 1
1 1104 . 16 1 1 A 95 95 SER CA C 95 58.955 58.067 0.888 1
1 1105 . 16 1 1 A 95 95 SER CB C 95 64.884 64.239 0.645 1
1 1106 . 16 1 1 A 95 95 SER N N 95 122.184 115.119 7.065 1
1 1107 . 16 1 1 A 96 96 ILE H H 96 8.915 8.508 0.407 1
1 1108 . 16 1 1 A 96 96 ILE HA H 96 4.609 4.497 0.112 1
1 1118 . 16 1 1 A 96 96 ILE C C 96 174.546 176.310 -1.764 1
1 1119 . 16 1 1 A 96 96 ILE CA C 96 59.782 61.094 -1.312 1
1 1120 . 16 1 1 A 96 96 ILE CB C 96 40.995 39.889 1.106 1
1 1124 . 16 1 1 A 96 96 ILE N N 96 115.463 119.657 -4.194 1
1 1125 . 16 1 1 A 97 97 GLN H H 97 8.292 7.821 0.471 1
1 1126 . 16 1 1 A 97 97 GLN HA H 97 5.849 3.900 1.949 1
1 1133 . 16 1 1 A 97 97 GLN C C 97 176.173 174.504 1.669 1
1 1134 . 16 1 1 A 97 97 GLN CA C 97 54.361 56.968 -2.607 1
1 1135 . 16 1 1 A 97 97 GLN CB C 97 31.102 26.400 4.702 1
1 1137 . 16 1 1 A 97 97 GLN N N 97 117.686 117.797 -0.111 1
1 1139 . 16 1 1 A 98 98 SER H H 98 8.751 7.392 1.359 1
1 1140 . 16 1 1 A 98 98 SER HA H 98 4.618 4.583 0.035 1
1 1143 . 16 1 1 A 98 98 SER C C 98 172.310 173.563 -1.253 1
1 1144 . 16 1 1 A 98 98 SER CA C 98 57.019 57.714 -0.695 1
1 1145 . 16 1 1 A 98 98 SER CB C 98 64.588 63.219 1.369 1
1 1146 . 16 1 1 A 98 98 SER N N 98 115.969 113.563 2.406 1
1 1147 . 16 1 1 A 99 99 ARG H H 99 8.519 8.762 -0.243 1
1 1148 . 16 1 1 A 99 99 ARG HA H 99 5.627 4.993 0.634 1
1 1156 . 16 1 1 A 99 99 ARG C C 99 176.394 175.944 0.450 1
1 1157 . 16 1 1 A 99 99 ARG CA C 99 53.705 56.034 -2.329 1
1 1158 . 16 1 1 A 99 99 ARG CB C 99 32.853 30.995 1.858 1
1 1161 . 16 1 1 A 99 99 ARG N N 99 132.343 129.551 2.792 1
1 1163 . 16 1 1 A 100 100 THR H H 100 8.808 8.287 0.521 1
1 1164 . 16 1 1 A 100 100 THR HA H 100 4.182 4.318 -0.136 1
1 1169 . 16 1 1 A 100 100 THR C C 100 175.465 174.446 1.019 1
1 1170 . 16 1 1 A 100 100 THR CA C 100 61.701 62.562 -0.861 1
1 1171 . 16 1 1 A 100 100 THR CB C 100 69.515 70.070 -0.555 1
1 1173 . 16 1 1 A 100 100 THR N N 100 116.147 118.305 -2.158 1
1 1174 . 16 1 1 A 101 101 MET H H 101 7.254 8.523 -1.269 1
1 1175 . 16 1 1 A 101 101 MET HA H 101 4.504 4.699 -0.195 1
1 1183 . 16 1 1 A 101 101 MET C C 101 174.574 175.314 -0.740 1
1 1184 . 16 1 1 A 101 101 MET CA C 101 54.324 54.029 0.295 1
1 1185 . 16 1 1 A 101 101 MET CB C 101 32.235 32.461 -0.226 1
1 1188 . 16 1 1 A 101 101 MET N N 101 117.475 121.364 -3.889 1
1 1189 . 16 1 1 A 102 102 PRO HA H 102 4.647 4.718 -0.071 1
1 1196 . 16 1 1 A 102 102 PRO CA C 102 62.553 62.578 -0.025 1
1 1197 . 16 1 1 A 102 102 PRO CB C 102 32.011 31.292 0.719 1
1 1 . 17 1 1 A 6 6 SER HA H 6 4.535 4.561 -0.026 1
1 4 . 17 1 1 A 6 6 SER CA C 6 58.104 58.818 -0.714 1
1 5 . 17 1 1 A 6 6 SER CB C 6 64.201 64.221 -0.020 1
1 6 . 17 1 1 A 7 7 GLY H H 7 7.998 7.849 0.149 1
1 7 . 17 1 1 A 7 7 GLY HA2 H 7 3.978 4.015 -0.037 1
1 8 . 17 1 1 A 7 7 GLY HA3 H 7 3.515 4.073 -0.558 1
1 9 . 17 1 1 A 7 7 GLY CA C 7 44.050 44.287 -0.237 1
1 10 . 17 1 1 A 7 7 GLY N N 7 108.741 110.099 -1.358 1
1 11 . 17 1 1 A 8 8 PRO HA H 8 4.324 4.554 -0.230 1
1 18 . 17 1 1 A 8 8 PRO CA C 8 63.624 62.787 0.837 1
1 19 . 17 1 1 A 8 8 PRO CB C 8 32.235 32.406 -0.171 1
1 22 . 17 1 1 A 9 9 SER H H 9 8.323 8.360 -0.037 1
1 23 . 17 1 1 A 9 9 SER HA H 9 4.512 4.722 -0.210 1
1 26 . 17 1 1 A 9 9 SER C C 9 174.410 174.189 0.221 1
1 27 . 17 1 1 A 9 9 SER CA C 9 57.701 57.064 0.637 1
1 28 . 17 1 1 A 9 9 SER CB C 9 63.909 63.082 0.827 1
1 29 . 17 1 1 A 9 9 SER N N 9 115.299 113.227 2.072 1
1 30 . 17 1 1 A 10 10 GLY H H 10 7.439 7.498 -0.059 1
1 31 . 17 1 1 A 10 10 GLY HA2 H 10 4.383 3.954 0.429 1
1 32 . 17 1 1 A 10 10 GLY HA3 H 10 3.951 4.007 -0.056 1
1 33 . 17 1 1 A 10 10 GLY C C 10 172.743 172.283 0.460 1
1 34 . 17 1 1 A 10 10 GLY CA C 10 43.924 45.326 -1.402 1
1 35 . 17 1 1 A 10 10 GLY N N 10 107.797 109.909 -2.112 1
1 36 . 17 1 1 A 11 11 PHE H H 11 7.534 8.391 -0.857 1
1 37 . 17 1 1 A 11 11 PHE HA H 11 5.519 5.385 0.134 1
1 44 . 17 1 1 A 11 11 PHE C C 11 173.822 173.530 0.292 1
1 45 . 17 1 1 A 11 11 PHE CA C 11 52.513 54.949 -2.436 1
1 46 . 17 1 1 A 11 11 PHE CB C 11 38.744 41.988 -3.244 1
1 51 . 17 1 1 A 11 11 PHE N N 11 115.246 115.905 -0.659 1
1 52 . 17 1 1 A 12 12 PRO HA H 12 4.285 4.723 -0.438 1
1 59 . 17 1 1 A 12 12 PRO C C 12 175.173 175.392 -0.219 1
1 60 . 17 1 1 A 12 12 PRO CA C 12 63.707 62.550 1.157 1
1 61 . 17 1 1 A 12 12 PRO CB C 12 32.344 33.572 -1.228 1
1 64 . 17 1 1 A 13 13 GLN H H 13 7.469 8.398 -0.929 1
1 65 . 17 1 1 A 13 13 GLN HA H 13 4.511 4.803 -0.292 1
1 72 . 17 1 1 A 13 13 GLN C C 13 175.349 175.161 0.188 1
1 73 . 17 1 1 A 13 13 GLN CA C 13 54.572 54.293 0.279 1
1 74 . 17 1 1 A 13 13 GLN CB C 13 32.848 31.755 1.093 1
1 76 . 17 1 1 A 13 13 GLN N N 13 120.555 118.645 1.910 1
1 78 . 17 1 1 A 14 14 ASN H H 14 8.978 8.878 0.100 1
1 79 . 17 1 1 A 14 14 ASN HA H 14 4.424 4.430 -0.006 1
1 84 . 17 1 1 A 14 14 ASN C C 14 174.770 173.854 0.916 1
1 85 . 17 1 1 A 14 14 ASN CA C 14 54.079 54.169 -0.090 1
1 86 . 17 1 1 A 14 14 ASN CB C 14 37.343 36.982 0.361 1
1 87 . 17 1 1 A 14 14 ASN N N 14 114.024 116.053 -2.029 1
1 89 . 17 1 1 A 15 15 LEU H H 15 8.437 7.984 0.453 1
1 90 . 17 1 1 A 15 15 LEU HA H 15 5.062 4.678 0.384 1
1 100 . 17 1 1 A 15 15 LEU C C 15 177.001 175.441 1.560 1
1 101 . 17 1 1 A 15 15 LEU CA C 15 56.667 54.809 1.858 1
1 102 . 17 1 1 A 15 15 LEU CB C 15 41.720 42.375 -0.655 1
1 106 . 17 1 1 A 15 15 LEU N N 15 121.843 121.638 0.205 1
1 107 . 17 1 1 A 16 16 HIS H H 16 9.492 7.763 1.729 1
1 108 . 17 1 1 A 16 16 HIS HA H 16 4.987 5.205 -0.218 1
1 113 . 17 1 1 A 16 16 HIS C C 16 171.333 171.657 -0.324 1
1 114 . 17 1 1 A 16 16 HIS CA C 16 55.153 54.400 0.753 1
1 115 . 17 1 1 A 16 16 HIS CB C 16 30.515 32.043 -1.528 1
1 118 . 17 1 1 A 16 16 HIS N N 16 121.636 121.552 0.084 1
1 119 . 17 1 1 A 17 17 VAL H H 17 8.606 8.869 -0.263 1
1 120 . 17 1 1 A 17 17 VAL HA H 17 4.663 4.370 0.293 1
1 128 . 17 1 1 A 17 17 VAL C C 17 177.740 176.306 1.434 1
1 129 . 17 1 1 A 17 17 VAL CA C 17 61.771 62.111 -0.340 1
1 130 . 17 1 1 A 17 17 VAL CB C 17 33.476 32.874 0.602 1
1 133 . 17 1 1 A 17 17 VAL N N 17 120.868 119.521 1.347 1
1 134 . 17 1 1 A 18 18 THR H H 18 9.022 8.730 0.292 1
1 135 . 17 1 1 A 18 18 THR HA H 18 4.516 4.243 0.273 1
1 140 . 17 1 1 A 18 18 THR C C 18 174.913 174.586 0.327 1
1 141 . 17 1 1 A 18 18 THR CA C 18 61.472 64.371 -2.899 1
1 142 . 17 1 1 A 18 18 THR CB C 18 68.725 69.712 -0.987 1
1 144 . 17 1 1 A 18 18 THR N N 18 117.096 122.757 -5.661 1
1 145 . 17 1 1 A 19 19 GLY H H 19 7.443 7.334 0.109 1
1 146 . 17 1 1 A 19 19 GLY HA2 H 19 4.177 4.077 0.100 1
1 147 . 17 1 1 A 19 19 GLY HA3 H 19 3.909 4.085 -0.176 1
1 148 . 17 1 1 A 19 19 GLY C C 19 170.720 172.613 -1.893 1
1 149 . 17 1 1 A 19 19 GLY CA C 19 45.877 45.534 0.343 1
1 150 . 17 1 1 A 19 19 GLY N N 19 111.594 108.143 3.451 1
1 151 . 17 1 1 A 20 20 LEU H H 20 8.400 8.589 -0.189 1
1 152 . 17 1 1 A 20 20 LEU HA H 20 4.803 4.365 0.438 1
1 162 . 17 1 1 A 20 20 LEU C C 20 175.350 175.970 -0.620 1
1 163 . 17 1 1 A 20 20 LEU CA C 20 55.557 54.416 1.141 1
1 164 . 17 1 1 A 20 20 LEU CB C 20 46.554 43.386 3.168 1
1 168 . 17 1 1 A 20 20 LEU N N 20 121.661 123.365 -1.704 1
1 169 . 17 1 1 A 21 21 THR H H 21 7.720 8.458 -0.738 1
1 170 . 17 1 1 A 21 21 THR HA H 21 4.900 4.669 0.231 1
1 175 . 17 1 1 A 21 21 THR C C 21 174.986 175.232 -0.246 1
1 176 . 17 1 1 A 21 21 THR CA C 21 61.049 60.896 0.153 1
1 177 . 17 1 1 A 21 21 THR CB C 21 71.081 72.765 -1.684 1
1 179 . 17 1 1 A 21 21 THR N N 21 112.043 112.596 -0.553 1
1 180 . 17 1 1 A 22 22 THR H H 22 7.782 8.807 -1.025 1
1 181 . 17 1 1 A 22 22 THR HA H 22 4.657 4.180 0.477 1
1 186 . 17 1 1 A 22 22 THR C C 22 174.110 176.176 -2.066 1
1 187 . 17 1 1 A 22 22 THR CA C 22 63.654 65.682 -2.028 1
1 188 . 17 1 1 A 22 22 THR CB C 22 69.834 68.223 1.611 1
1 190 . 17 1 1 A 22 22 THR N N 22 110.558 119.514 -8.956 1
1 191 . 17 1 1 A 23 23 SER H H 23 7.289 7.775 -0.486 1
1 192 . 17 1 1 A 23 23 SER HA H 23 4.717 4.946 -0.229 1
1 195 . 17 1 1 A 23 23 SER C C 23 173.680 174.643 -0.963 1
1 196 . 17 1 1 A 23 23 SER CA C 23 57.212 59.185 -1.973 1
1 197 . 17 1 1 A 23 23 SER CB C 23 66.012 64.367 1.645 1
1 198 . 17 1 1 A 23 23 SER N N 23 107.116 114.726 -7.610 1
1 199 . 17 1 1 A 24 24 THR H H 24 7.174 7.629 -0.455 1
1 200 . 17 1 1 A 24 24 THR HA H 24 5.377 4.686 0.691 1
1 205 . 17 1 1 A 24 24 THR C C 24 176.427 173.379 3.048 1
1 206 . 17 1 1 A 24 24 THR CA C 24 58.656 60.134 -1.478 1
1 207 . 17 1 1 A 24 24 THR CB C 24 73.018 71.346 1.672 1
1 209 . 17 1 1 A 24 24 THR N N 24 111.053 112.252 -1.199 1
1 210 . 17 1 1 A 25 25 THR H H 25 8.180 8.301 -0.121 1
1 211 . 17 1 1 A 25 25 THR HA H 25 4.608 4.880 -0.272 1
1 216 . 17 1 1 A 25 25 THR C C 25 170.451 173.587 -3.136 1
1 217 . 17 1 1 A 25 25 THR CA C 25 63.619 61.564 2.055 1
1 218 . 17 1 1 A 25 25 THR CB C 25 75.464 71.587 3.877 1
1 220 . 17 1 1 A 25 25 THR N N 25 117.664 116.038 1.626 1
1 221 . 17 1 1 A 26 26 GLU H H 26 9.197 8.275 0.922 1
1 222 . 17 1 1 A 26 26 GLU HA H 26 4.706 4.492 0.214 1
1 227 . 17 1 1 A 26 26 GLU C C 26 174.626 175.510 -0.884 1
1 228 . 17 1 1 A 26 26 GLU CA C 26 55.751 57.200 -1.449 1
1 229 . 17 1 1 A 26 26 GLU CB C 26 30.917 30.852 0.065 1
1 231 . 17 1 1 A 26 26 GLU N N 26 130.706 126.788 3.918 1
1 232 . 17 1 1 A 27 27 LEU H H 27 9.001 8.322 0.679 1
1 233 . 17 1 1 A 27 27 LEU HA H 27 5.273 5.152 0.121 1
1 243 . 17 1 1 A 27 27 LEU C C 27 176.770 175.619 1.151 1
1 244 . 17 1 1 A 27 27 LEU CA C 27 53.165 53.621 -0.456 1
1 245 . 17 1 1 A 27 27 LEU CB C 27 47.693 47.010 0.683 1
1 249 . 17 1 1 A 27 27 LEU N N 27 124.564 121.178 3.386 1
1 250 . 17 1 1 A 28 28 ALA H H 28 8.640 8.317 0.323 1
1 251 . 17 1 1 A 28 28 ALA HA H 28 4.577 4.696 -0.119 1
1 255 . 17 1 1 A 28 28 ALA C C 28 174.523 175.307 -0.784 1
1 256 . 17 1 1 A 28 28 ALA CA C 28 51.404 52.026 -0.622 1
1 257 . 17 1 1 A 28 28 ALA CB C 28 23.304 20.788 2.516 1
1 258 . 17 1 1 A 28 28 ALA N N 28 122.531 121.285 1.246 1
1 259 . 17 1 1 A 29 29 TRP H H 29 7.581 8.071 -0.490 1
1 260 . 17 1 1 A 29 29 TRP HA H 29 4.868 5.588 -0.720 1
1 269 . 17 1 1 A 29 29 TRP C C 29 172.280 172.882 -0.602 1
1 270 . 17 1 1 A 29 29 TRP CA C 29 56.948 54.585 2.363 1
1 271 . 17 1 1 A 29 29 TRP CB C 29 29.667 31.977 -2.310 1
1 277 . 17 1 1 A 29 29 TRP N N 29 115.551 120.802 -5.251 1
1 279 . 17 1 1 A 30 30 ASP H H 30 9.276 9.480 -0.204 1
1 280 . 17 1 1 A 30 30 ASP HA H 30 5.443 5.242 0.201 1
1 283 . 17 1 1 A 30 30 ASP C C 30 173.846 174.066 -0.220 1
1 284 . 17 1 1 A 30 30 ASP CA C 30 51.562 51.353 0.209 1
1 285 . 17 1 1 A 30 30 ASP CB C 30 42.533 43.158 -0.625 1
1 286 . 17 1 1 A 30 30 ASP N N 30 117.265 118.683 -1.418 1
1 287 . 17 1 1 A 31 31 PRO HA H 31 5.105 4.909 0.196 1
1 294 . 17 1 1 A 31 31 PRO CA C 31 61.905 61.450 0.455 1
1 295 . 17 1 1 A 31 31 PRO CB C 31 29.864 31.363 -1.499 1
1 298 . 17 1 1 A 32 32 PRO HA H 32 4.580 4.534 0.046 1
1 305 . 17 1 1 A 32 32 PRO CA C 32 62.036 62.793 -0.757 1
1 306 . 17 1 1 A 32 32 PRO CB C 32 30.840 32.255 -1.415 1
1 309 . 17 1 1 A 33 33 VAL H H 33 8.755 8.116 0.639 1
1 310 . 17 1 1 A 33 33 VAL HA H 33 3.994 4.226 -0.232 1
1 318 . 17 1 1 A 33 33 VAL CA C 33 62.553 62.264 0.289 1
1 319 . 17 1 1 A 33 33 VAL CB C 33 31.763 32.530 -0.767 1
1 322 . 17 1 1 A 33 33 VAL N N 33 120.113 119.654 0.459 1
1 323 . 17 1 1 A 34 34 LEU H H 34 8.469 8.724 -0.255 1
1 324 . 17 1 1 A 34 34 LEU HA H 34 3.768 3.856 -0.088 1
1 334 . 17 1 1 A 34 34 LEU CA C 34 58.809 58.104 0.705 1
1 335 . 17 1 1 A 34 34 LEU CB C 34 42.426 41.633 0.793 1
1 339 . 17 1 1 A 34 34 LEU N N 34 125.095 123.874 1.221 1
1 340 . 17 1 1 A 35 35 ALA H H 35 8.586 7.825 0.761 1
1 341 . 17 1 1 A 35 35 ALA HA H 35 4.171 4.069 0.102 1
1 345 . 17 1 1 A 35 35 ALA CA C 35 53.957 55.336 -1.379 1
1 346 . 17 1 1 A 35 35 ALA CB C 35 19.056 18.928 0.128 1
1 347 . 17 1 1 A 35 35 ALA N N 35 119.010 121.851 -2.841 1
1 348 . 17 1 1 A 36 36 GLU H H 36 8.070 7.872 0.198 1
1 349 . 17 1 1 A 36 36 GLU HA H 36 4.305 4.626 -0.321 1
1 354 . 17 1 1 A 36 36 GLU CA C 36 55.527 55.249 0.278 1
1 355 . 17 1 1 A 36 36 GLU CB C 36 29.845 28.817 1.028 1
1 357 . 17 1 1 A 36 36 GLU N N 36 115.604 115.314 0.290 1
1 358 . 17 1 1 A 37 37 ARG HA H 37 3.758 4.372 -0.614 1
1 365 . 17 1 1 A 37 37 ARG CA C 37 60.050 56.239 3.811 1
1 366 . 17 1 1 A 37 37 ARG CB C 37 30.804 32.115 -1.311 1
1 369 . 17 1 1 A 37 37 ARG N N 37 122.198 121.639 0.559 1
1 370 . 17 1 1 A 38 38 ASN H H 38 8.093 8.357 -0.264 1
1 371 . 17 1 1 A 38 38 ASN HA H 38 4.291 4.362 -0.071 1
1 376 . 17 1 1 A 38 38 ASN C C 38 174.619 174.142 0.477 1
1 377 . 17 1 1 A 38 38 ASN CA C 38 53.287 54.154 -0.867 1
1 378 . 17 1 1 A 38 38 ASN CB C 38 37.482 37.725 -0.243 1
1 379 . 17 1 1 A 38 38 ASN N N 38 109.319 117.350 -8.031 1
1 381 . 17 1 1 A 39 39 GLY H H 39 7.575 8.263 -0.688 1
1 382 . 17 1 1 A 39 39 GLY HA2 H 39 4.320 4.143 0.177 1
1 383 . 17 1 1 A 39 39 GLY HA3 H 39 3.697 4.146 -0.449 1
1 384 . 17 1 1 A 39 39 GLY C C 39 172.138 172.007 0.131 1
1 385 . 17 1 1 A 39 39 GLY CA C 39 43.766 45.005 -1.239 1
1 386 . 17 1 1 A 39 39 GLY N N 39 105.607 105.051 0.556 1
1 387 . 17 1 1 A 40 40 ARG H H 40 8.180 8.581 -0.401 1
1 388 . 17 1 1 A 40 40 ARG HA H 40 4.333 5.216 -0.883 1
1 395 . 17 1 1 A 40 40 ARG C C 40 176.395 174.667 1.728 1
1 396 . 17 1 1 A 40 40 ARG CA C 40 55.453 53.995 1.458 1
1 397 . 17 1 1 A 40 40 ARG CB C 40 30.999 34.131 -3.132 1
1 400 . 17 1 1 A 40 40 ARG N N 40 119.566 120.289 -0.723 1
1 401 . 17 1 1 A 41 41 ILE H H 41 8.991 9.035 -0.044 1
1 402 . 17 1 1 A 41 41 ILE HA H 41 4.256 4.676 -0.420 1
1 412 . 17 1 1 A 41 41 ILE CA C 41 59.279 60.125 -0.846 1
1 413 . 17 1 1 A 41 41 ILE CB C 41 35.329 40.548 -5.219 1
1 417 . 17 1 1 A 41 41 ILE N N 41 127.226 122.169 5.057 1
1 418 . 17 1 1 A 42 42 ILE H H 42 8.721 8.662 0.059 1
1 419 . 17 1 1 A 42 42 ILE HA H 42 4.475 4.522 -0.047 1
1 429 . 17 1 1 A 42 42 ILE C C 42 175.959 175.590 0.369 1
1 430 . 17 1 1 A 42 42 ILE CA C 42 61.208 61.249 -0.041 1
1 431 . 17 1 1 A 42 42 ILE CB C 42 39.771 40.183 -0.412 1
1 435 . 17 1 1 A 42 42 ILE N N 42 122.018 120.656 1.362 1
1 436 . 17 1 1 A 43 43 SER H H 43 7.425 7.720 -0.295 1
1 437 . 17 1 1 A 43 43 SER HA H 43 4.555 4.981 -0.426 1
1 440 . 17 1 1 A 43 43 SER C C 43 170.232 171.564 -1.332 1
1 441 . 17 1 1 A 43 43 SER CA C 43 58.234 57.611 0.623 1
1 442 . 17 1 1 A 43 43 SER CB C 43 64.287 65.331 -1.044 1
1 443 . 17 1 1 A 43 43 SER N N 43 113.043 113.939 -0.896 1
1 444 . 17 1 1 A 44 44 TYR H H 44 9.297 8.321 0.976 1
1 445 . 17 1 1 A 44 44 TYR HA H 44 5.741 5.740 0.001 1
1 452 . 17 1 1 A 44 44 TYR C C 44 175.735 174.974 0.761 1
1 453 . 17 1 1 A 44 44 TYR CA C 44 57.137 56.548 0.589 1
1 454 . 17 1 1 A 44 44 TYR CB C 44 42.410 43.110 -0.700 1
1 459 . 17 1 1 A 44 44 TYR N N 44 116.157 118.569 -2.412 1
1 460 . 17 1 1 A 45 45 THR H H 45 8.778 8.815 -0.037 1
1 461 . 17 1 1 A 45 45 THR HA H 45 5.094 5.089 0.005 1
1 466 . 17 1 1 A 45 45 THR C C 45 173.026 173.335 -0.309 1
1 467 . 17 1 1 A 45 45 THR CA C 45 61.853 61.764 0.089 1
1 468 . 17 1 1 A 45 45 THR CB C 45 71.072 70.381 0.691 1
1 470 . 17 1 1 A 45 45 THR N N 45 114.801 116.651 -1.850 1
1 471 . 17 1 1 A 46 46 VAL H H 46 9.145 8.953 0.192 1
1 472 . 17 1 1 A 46 46 VAL HA H 46 4.244 4.710 -0.466 1
1 480 . 17 1 1 A 46 46 VAL C C 46 174.278 175.214 -0.936 1
1 481 . 17 1 1 A 46 46 VAL CA C 46 61.137 61.700 -0.563 1
1 482 . 17 1 1 A 46 46 VAL CB C 46 32.999 31.082 1.917 1
1 485 . 17 1 1 A 46 46 VAL N N 46 127.180 127.624 -0.444 1
1 486 . 17 1 1 A 47 47 VAL H H 47 9.041 8.856 0.185 1
1 487 . 17 1 1 A 47 47 VAL HA H 47 5.004 4.594 0.410 1
1 495 . 17 1 1 A 47 47 VAL C C 47 175.023 175.660 -0.637 1
1 496 . 17 1 1 A 47 47 VAL CA C 47 60.996 62.241 -1.245 1
1 497 . 17 1 1 A 47 47 VAL CB C 47 33.488 31.459 2.029 1
1 500 . 17 1 1 A 47 47 VAL N N 47 128.169 128.360 -0.191 1
1 501 . 17 1 1 A 48 48 PHE H H 48 9.169 9.175 -0.006 1
1 502 . 17 1 1 A 48 48 PHE HA H 48 6.209 6.086 0.123 1
1 510 . 17 1 1 A 48 48 PHE C C 48 173.210 173.625 -0.415 1
1 511 . 17 1 1 A 48 48 PHE CA C 48 54.702 55.166 -0.464 1
1 512 . 17 1 1 A 48 48 PHE CB C 48 43.316 42.412 0.904 1
1 518 . 17 1 1 A 48 48 PHE N N 48 123.753 124.373 -0.620 1
1 519 . 17 1 1 A 49 49 ARG H H 49 8.693 8.777 -0.084 1
1 520 . 17 1 1 A 49 49 ARG HA H 49 4.817 4.754 0.063 1
1 528 . 17 1 1 A 49 49 ARG C C 49 175.280 174.291 0.989 1
1 529 . 17 1 1 A 49 49 ARG CA C 49 54.801 55.128 -0.327 1
1 530 . 17 1 1 A 49 49 ARG CB C 49 35.242 33.670 1.572 1
1 533 . 17 1 1 A 49 49 ARG N N 49 118.793 121.200 -2.407 1
1 535 . 17 1 1 A 50 50 ASP H H 50 8.820 8.769 0.051 1
1 536 . 17 1 1 A 50 50 ASP HA H 50 4.029 4.356 -0.327 1
1 539 . 17 1 1 A 50 50 ASP C C 50 178.592 177.428 1.164 1
1 540 . 17 1 1 A 50 50 ASP CA C 50 53.498 54.253 -0.755 1
1 541 . 17 1 1 A 50 50 ASP CB C 50 40.543 41.431 -0.888 1
1 542 . 17 1 1 A 50 50 ASP N N 50 128.720 125.721 2.999 1
1 543 . 17 1 1 A 51 51 ILE H H 51 8.315 8.386 -0.071 1
1 544 . 17 1 1 A 51 51 ILE HA H 51 3.892 3.888 0.004 1
1 554 . 17 1 1 A 51 51 ILE C C 51 176.905 176.499 0.406 1
1 555 . 17 1 1 A 51 51 ILE CA C 51 64.569 63.127 1.442 1
1 556 . 17 1 1 A 51 51 ILE CB C 51 38.126 37.880 0.246 1
1 560 . 17 1 1 A 51 51 ILE N N 51 124.642 122.551 2.091 1
1 561 . 17 1 1 A 52 52 ASN H H 52 8.677 7.723 0.954 1
1 562 . 17 1 1 A 52 52 ASN HA H 52 4.760 4.791 -0.031 1
1 567 . 17 1 1 A 52 52 ASN C C 52 174.645 174.952 -0.307 1
1 568 . 17 1 1 A 52 52 ASN CA C 52 53.851 53.321 0.530 1
1 569 . 17 1 1 A 52 52 ASN CB C 52 39.032 39.532 -0.500 1
1 570 . 17 1 1 A 52 52 ASN N N 52 119.201 118.846 0.355 1
1 572 . 17 1 1 A 53 53 SER H H 53 8.409 8.099 0.310 1
1 573 . 17 1 1 A 53 53 SER HA H 53 4.663 4.929 -0.266 1
1 576 . 17 1 1 A 53 53 SER C C 53 173.861 173.755 0.106 1
1 577 . 17 1 1 A 53 53 SER CA C 53 56.702 57.486 -0.784 1
1 578 . 17 1 1 A 53 53 SER CB C 53 65.730 66.749 -1.019 1
1 579 . 17 1 1 A 53 53 SER N N 53 116.494 115.352 1.142 1
1 580 . 17 1 1 A 54 54 GLN H H 54 8.489 8.450 0.039 1
1 581 . 17 1 1 A 54 54 GLN HA H 54 4.329 4.556 -0.227 1
1 588 . 17 1 1 A 54 54 GLN C C 54 175.789 175.388 0.401 1
1 589 . 17 1 1 A 54 54 GLN CA C 54 55.857 54.940 0.917 1
1 590 . 17 1 1 A 54 54 GLN CB C 54 28.847 28.827 0.020 1
1 592 . 17 1 1 A 54 54 GLN N N 54 119.700 118.663 1.037 1
1 594 . 17 1 1 A 55 55 GLN H H 55 8.108 7.629 0.479 1
1 595 . 17 1 1 A 55 55 GLN HA H 55 4.269 4.565 -0.296 1
1 602 . 17 1 1 A 55 55 GLN C C 55 174.076 174.809 -0.733 1
1 603 . 17 1 1 A 55 55 GLN CA C 55 55.689 55.040 0.649 1
1 604 . 17 1 1 A 55 55 GLN CB C 55 29.352 29.835 -0.483 1
1 606 . 17 1 1 A 55 55 GLN N N 55 120.355 121.738 -1.383 1
1 608 . 17 1 1 A 56 56 GLU H H 56 8.603 8.835 -0.232 1
1 609 . 17 1 1 A 56 56 GLU HA H 56 4.372 4.645 -0.273 1
1 614 . 17 1 1 A 56 56 GLU C C 56 175.058 175.499 -0.441 1
1 615 . 17 1 1 A 56 56 GLU CA C 56 55.594 56.324 -0.730 1
1 616 . 17 1 1 A 56 56 GLU CB C 56 31.640 30.776 0.864 1
1 618 . 17 1 1 A 56 56 GLU N N 56 126.250 128.736 -2.486 1
1 619 . 17 1 1 A 57 57 LEU H H 57 8.520 7.955 0.565 1
1 620 . 17 1 1 A 57 57 LEU HA H 57 4.458 4.653 -0.195 1
1 630 . 17 1 1 A 57 57 LEU C C 57 174.850 174.379 0.471 1
1 631 . 17 1 1 A 57 57 LEU CA C 57 53.780 53.182 0.598 1
1 632 . 17 1 1 A 57 57 LEU CB C 57 43.903 46.353 -2.450 1
1 636 . 17 1 1 A 57 57 LEU N N 57 127.205 125.212 1.993 1
1 637 . 17 1 1 A 58 58 GLN H H 58 7.992 8.632 -0.640 1
1 638 . 17 1 1 A 58 58 GLN HA H 58 5.865 5.611 0.254 1
1 645 . 17 1 1 A 58 58 GLN C C 58 175.948 173.606 2.342 1
1 646 . 17 1 1 A 58 58 GLN CA C 58 53.944 54.331 -0.387 1
1 647 . 17 1 1 A 58 58 GLN CB C 58 32.786 32.726 0.060 1
1 649 . 17 1 1 A 58 58 GLN N N 58 113.562 117.906 -4.344 1
1 651 . 17 1 1 A 59 59 ASN H H 59 9.073 8.733 0.340 1
1 652 . 17 1 1 A 59 59 ASN HA H 59 5.068 5.311 -0.243 1
1 657 . 17 1 1 A 59 59 ASN C C 59 172.790 174.126 -1.336 1
1 658 . 17 1 1 A 59 59 ASN CA C 59 53.023 51.814 1.209 1
1 659 . 17 1 1 A 59 59 ASN CB C 59 45.541 42.940 2.601 1
1 660 . 17 1 1 A 59 59 ASN N N 59 119.984 116.965 3.019 1
1 662 . 17 1 1 A 60 60 ILE H H 60 8.491 8.424 0.067 1
1 663 . 17 1 1 A 60 60 ILE HA H 60 5.147 5.081 0.066 1
1 673 . 17 1 1 A 60 60 ILE C C 60 175.088 174.530 0.558 1
1 674 . 17 1 1 A 60 60 ILE CA C 60 59.853 60.080 -0.227 1
1 675 . 17 1 1 A 60 60 ILE CB C 60 40.891 41.227 -0.336 1
1 679 . 17 1 1 A 60 60 ILE N N 60 119.480 120.371 -0.891 1
1 680 . 17 1 1 A 61 61 THR H H 61 8.755 8.392 0.363 1
1 681 . 17 1 1 A 61 61 THR HA H 61 4.976 5.206 -0.230 1
1 686 . 17 1 1 A 61 61 THR C C 61 172.097 173.973 -1.876 1
1 687 . 17 1 1 A 61 61 THR CA C 61 59.905 60.258 -0.353 1
1 688 . 17 1 1 A 61 61 THR CB C 61 69.505 71.595 -2.090 1
1 690 . 17 1 1 A 61 61 THR N N 61 118.083 119.443 -1.360 1
1 691 . 17 1 1 A 62 62 THR H H 62 8.325 8.595 -0.270 1
1 692 . 17 1 1 A 62 62 THR HA H 62 4.641 4.483 0.158 1
1 697 . 17 1 1 A 62 62 THR C C 62 174.386 173.888 0.498 1
1 698 . 17 1 1 A 62 62 THR CA C 62 62.440 62.324 0.116 1
1 699 . 17 1 1 A 62 62 THR CB C 62 69.355 68.823 0.532 1
1 701 . 17 1 1 A 62 62 THR N N 62 115.077 117.375 -2.298 1
1 702 . 17 1 1 A 63 63 ASP H H 63 8.611 7.534 1.077 1
1 703 . 17 1 1 A 63 63 ASP HA H 63 4.962 5.022 -0.060 1
1 706 . 17 1 1 A 63 63 ASP C C 63 172.906 176.862 -3.956 1
1 707 . 17 1 1 A 63 63 ASP CA C 63 52.981 52.921 0.060 1
1 708 . 17 1 1 A 63 63 ASP CB C 63 43.465 43.340 0.125 1
1 709 . 17 1 1 A 63 63 ASP N N 63 125.713 121.819 3.894 1
1 710 . 17 1 1 A 64 64 THR H H 64 7.925 8.314 -0.389 1
1 711 . 17 1 1 A 64 64 THR HA H 64 3.088 3.728 -0.640 1
1 716 . 17 1 1 A 64 64 THR C C 64 172.176 172.039 0.137 1
1 717 . 17 1 1 A 64 64 THR CA C 64 59.078 61.569 -2.491 1
1 718 . 17 1 1 A 64 64 THR CB C 64 66.137 68.211 -2.074 1
1 720 . 17 1 1 A 64 64 THR N N 64 104.287 112.908 -8.621 1
1 721 . 17 1 1 A 65 65 ARG H H 65 6.387 7.373 -0.986 1
1 722 . 17 1 1 A 65 65 ARG HA H 65 4.221 3.831 0.390 1
1 729 . 17 1 1 A 65 65 ARG C C 65 174.862 174.248 0.614 1
1 730 . 17 1 1 A 65 65 ARG CA C 65 54.132 53.457 0.675 1
1 731 . 17 1 1 A 65 65 ARG CB C 65 32.928 33.943 -1.015 1
1 734 . 17 1 1 A 65 65 ARG N N 65 115.062 118.959 -3.897 1
1 735 . 17 1 1 A 66 66 PHE H H 66 8.177 8.986 -0.809 1
1 736 . 17 1 1 A 66 66 PHE HA H 66 4.373 4.928 -0.555 1
1 744 . 17 1 1 A 66 66 PHE C C 66 172.804 173.095 -0.291 1
1 745 . 17 1 1 A 66 66 PHE CA C 66 59.536 58.202 1.334 1
1 746 . 17 1 1 A 66 66 PHE CB C 66 44.469 41.892 2.577 1
1 752 . 17 1 1 A 66 66 PHE N N 66 119.991 119.606 0.385 1
1 753 . 17 1 1 A 67 67 THR H H 67 7.332 7.434 -0.102 1
1 754 . 17 1 1 A 67 67 THR HA H 67 4.628 5.281 -0.653 1
1 759 . 17 1 1 A 67 67 THR C C 67 172.910 173.771 -0.861 1
1 760 . 17 1 1 A 67 67 THR CA C 67 61.261 61.142 0.119 1
1 761 . 17 1 1 A 67 67 THR CB C 67 69.260 71.436 -2.176 1
1 763 . 17 1 1 A 67 67 THR N N 67 123.294 117.910 5.384 1
1 764 . 17 1 1 A 68 68 LEU H H 68 8.776 9.183 -0.407 1
1 765 . 17 1 1 A 68 68 LEU HA H 68 4.192 4.304 -0.112 1
1 775 . 17 1 1 A 68 68 LEU C C 68 176.337 175.834 0.503 1
1 776 . 17 1 1 A 68 68 LEU CA C 68 54.394 54.657 -0.263 1
1 777 . 17 1 1 A 68 68 LEU CB C 68 42.394 42.030 0.364 1
1 781 . 17 1 1 A 68 68 LEU N N 68 126.969 127.898 -0.929 1
1 782 . 17 1 1 A 69 69 THR H H 69 7.921 8.243 -0.322 1
1 783 . 17 1 1 A 69 69 THR HA H 69 4.814 4.672 0.142 1
1 788 . 17 1 1 A 69 69 THR C C 69 173.856 173.550 0.306 1
1 789 . 17 1 1 A 69 69 THR CA C 69 59.694 60.562 -0.868 1
1 790 . 17 1 1 A 69 69 THR CB C 69 71.829 71.456 0.373 1
1 792 . 17 1 1 A 69 69 THR N N 69 111.246 111.235 0.011 1
1 793 . 17 1 1 A 70 70 GLY H H 70 8.894 8.622 0.272 1
1 794 . 17 1 1 A 70 70 GLY HA2 H 70 3.930 3.842 0.088 1
1 795 . 17 1 1 A 70 70 GLY HA3 H 70 3.809 3.867 -0.058 1
1 796 . 17 1 1 A 70 70 GLY C C 70 175.589 174.547 1.042 1
1 797 . 17 1 1 A 70 70 GLY CA C 70 46.178 46.781 -0.603 1
1 798 . 17 1 1 A 70 70 GLY N N 70 107.415 112.569 -5.154 1
1 799 . 17 1 1 A 71 71 LEU H H 71 8.341 7.876 0.465 1
1 800 . 17 1 1 A 71 71 LEU HA H 71 4.195 4.744 -0.549 1
1 810 . 17 1 1 A 71 71 LEU C C 71 175.422 175.218 0.204 1
1 811 . 17 1 1 A 71 71 LEU CA C 71 53.429 53.279 0.150 1
1 812 . 17 1 1 A 71 71 LEU CB C 71 40.650 43.394 -2.744 1
1 816 . 17 1 1 A 71 71 LEU N N 71 118.621 120.435 -1.814 1
1 817 . 17 1 1 A 72 72 LYS H H 72 8.298 9.334 -1.036 1
1 818 . 17 1 1 A 72 72 LYS HA H 72 4.631 4.658 -0.027 1
1 827 . 17 1 1 A 72 72 LYS C C 72 174.599 175.463 -0.864 1
1 828 . 17 1 1 A 72 72 LYS CA C 72 53.851 54.034 -0.183 1
1 829 . 17 1 1 A 72 72 LYS CB C 72 33.619 33.958 -0.339 1
1 833 . 17 1 1 A 72 72 LYS N N 72 121.340 122.425 -1.085 1
1 834 . 17 1 1 A 73 73 PRO HA H 73 5.086 4.725 0.361 1
1 841 . 17 1 1 A 73 73 PRO C C 73 178.198 177.247 0.951 1
1 842 . 17 1 1 A 73 73 PRO CA C 73 62.897 63.316 -0.419 1
1 843 . 17 1 1 A 73 73 PRO CB C 73 33.198 32.236 0.962 1
1 846 . 17 1 1 A 74 74 ASP H H 74 7.537 9.038 -1.501 1
1 847 . 17 1 1 A 74 74 ASP HA H 74 4.290 4.275 0.015 1
1 850 . 17 1 1 A 74 74 ASP C C 74 174.390 174.690 -0.300 1
1 851 . 17 1 1 A 74 74 ASP CA C 74 54.343 55.179 -0.836 1
1 852 . 17 1 1 A 74 74 ASP CB C 74 41.393 39.742 1.651 1
1 853 . 17 1 1 A 74 74 ASP N N 74 126.834 121.391 5.443 1
1 854 . 17 1 1 A 75 75 THR H H 75 8.197 7.270 0.927 1
1 855 . 17 1 1 A 75 75 THR HA H 75 4.316 4.910 -0.594 1
1 860 . 17 1 1 A 75 75 THR C C 75 172.076 173.369 -1.293 1
1 861 . 17 1 1 A 75 75 THR CA C 75 63.087 61.288 1.799 1
1 862 . 17 1 1 A 75 75 THR CB C 75 71.822 72.422 -0.600 1
1 864 . 17 1 1 A 75 75 THR N N 75 113.905 112.487 1.418 1
1 865 . 17 1 1 A 76 76 THR H H 76 8.606 8.773 -0.167 1
1 866 . 17 1 1 A 76 76 THR HA H 76 4.641 4.471 0.170 1
1 871 . 17 1 1 A 76 76 THR C C 76 172.308 174.018 -1.710 1
1 872 . 17 1 1 A 76 76 THR CA C 76 63.197 63.410 -0.213 1
1 873 . 17 1 1 A 76 76 THR CB C 76 68.333 69.380 -1.047 1
1 875 . 17 1 1 A 76 76 THR N N 76 124.170 121.235 2.935 1
1 876 . 17 1 1 A 77 77 TYR H H 77 9.230 8.787 0.443 1
1 877 . 17 1 1 A 77 77 TYR HA H 77 5.084 5.033 0.051 1
1 884 . 17 1 1 A 77 77 TYR C C 77 174.065 174.390 -0.325 1
1 885 . 17 1 1 A 77 77 TYR CA C 77 57.443 56.387 1.056 1
1 886 . 17 1 1 A 77 77 TYR CB C 77 41.115 40.412 0.703 1
1 891 . 17 1 1 A 77 77 TYR N N 77 125.729 125.832 -0.103 1
1 892 . 17 1 1 A 78 78 ASP H H 78 9.222 9.140 0.082 1
1 893 . 17 1 1 A 78 78 ASP HA H 78 5.288 4.769 0.519 1
1 896 . 17 1 1 A 78 78 ASP C C 78 176.268 174.804 1.464 1
1 897 . 17 1 1 A 78 78 ASP CA C 78 53.565 54.125 -0.560 1
1 898 . 17 1 1 A 78 78 ASP CB C 78 44.874 40.745 4.129 1
1 899 . 17 1 1 A 78 78 ASP N N 78 124.016 125.424 -1.408 1
1 900 . 17 1 1 A 79 79 ILE H H 79 9.210 8.556 0.654 1
1 901 . 17 1 1 A 79 79 ILE HA H 79 5.027 5.242 -0.215 1
1 911 . 17 1 1 A 79 79 ILE C C 79 172.968 174.826 -1.858 1
1 912 . 17 1 1 A 79 79 ILE CA C 79 61.102 60.015 1.087 1
1 913 . 17 1 1 A 79 79 ILE CB C 79 41.830 40.459 1.371 1
1 917 . 17 1 1 A 79 79 ILE N N 79 127.527 127.395 0.132 1
1 918 . 17 1 1 A 80 80 LYS H H 80 8.930 9.186 -0.256 1
1 919 . 17 1 1 A 80 80 LYS HA H 80 4.282 5.077 -0.795 1
1 928 . 17 1 1 A 80 80 LYS C C 80 173.716 174.348 -0.632 1
1 929 . 17 1 1 A 80 80 LYS CA C 80 54.749 53.916 0.833 1
1 930 . 17 1 1 A 80 80 LYS CB C 80 37.864 36.803 1.061 1
1 934 . 17 1 1 A 80 80 LYS N N 80 122.620 124.738 -2.118 1
1 935 . 17 1 1 A 81 81 VAL H H 81 8.070 8.940 -0.870 1
1 936 . 17 1 1 A 81 81 VAL HA H 81 5.365 5.086 0.279 1
1 944 . 17 1 1 A 81 81 VAL C C 81 174.099 173.716 0.383 1
1 945 . 17 1 1 A 81 81 VAL CA C 81 59.228 59.348 -0.120 1
1 946 . 17 1 1 A 81 81 VAL CB C 81 36.108 35.154 0.954 1
1 949 . 17 1 1 A 81 81 VAL N N 81 115.045 118.976 -3.931 1
1 950 . 17 1 1 A 82 82 ARG H H 82 8.733 8.879 -0.146 1
1 951 . 17 1 1 A 82 82 ARG HA H 82 4.984 5.133 -0.149 1
1 959 . 17 1 1 A 82 82 ARG C C 82 172.874 174.420 -1.546 1
1 960 . 17 1 1 A 82 82 ARG CA C 82 53.552 54.900 -1.348 1
1 961 . 17 1 1 A 82 82 ARG CB C 82 34.521 34.041 0.480 1
1 964 . 17 1 1 A 82 82 ARG N N 82 122.032 122.533 -0.501 1
1 966 . 17 1 1 A 83 83 ALA H H 83 9.221 8.566 0.655 1
1 967 . 17 1 1 A 83 83 ALA HA H 83 5.132 4.129 1.003 1
1 971 . 17 1 1 A 83 83 ALA C C 83 174.998 176.757 -1.759 1
1 972 . 17 1 1 A 83 83 ALA CA C 83 50.383 51.716 -1.333 1
1 973 . 17 1 1 A 83 83 ALA CB C 83 23.472 19.945 3.527 1
1 974 . 17 1 1 A 83 83 ALA N N 83 124.044 125.079 -1.035 1
1 975 . 17 1 1 A 84 84 TRP H H 84 8.387 8.740 -0.353 1
1 976 . 17 1 1 A 84 84 TRP HA H 84 5.020 5.398 -0.378 1
1 985 . 17 1 1 A 84 84 TRP C C 84 177.430 175.697 1.733 1
1 986 . 17 1 1 A 84 84 TRP CA C 84 56.807 56.108 0.699 1
1 987 . 17 1 1 A 84 84 TRP CB C 84 31.235 32.733 -1.498 1
1 993 . 17 1 1 A 84 84 TRP N N 84 117.779 120.349 -2.570 1
1 995 . 17 1 1 A 85 85 THR H H 85 8.698 8.858 -0.160 1
1 996 . 17 1 1 A 85 85 THR HA H 85 5.190 5.164 0.026 1
1 1001 . 17 1 1 A 85 85 THR C C 85 176.429 176.055 0.374 1
1 1002 . 17 1 1 A 85 85 THR CA C 85 59.958 59.957 0.001 1
1 1003 . 17 1 1 A 85 85 THR CB C 85 72.646 71.813 0.833 1
1 1005 . 17 1 1 A 85 85 THR N N 85 111.404 113.424 -2.020 1
1 1006 . 17 1 1 A 86 86 SER H H 86 9.765 9.117 0.648 1
1 1007 . 17 1 1 A 86 86 SER HA H 86 4.242 4.154 0.088 1
1 1010 . 17 1 1 A 86 86 SER C C 86 174.834 176.736 -1.902 1
1 1011 . 17 1 1 A 86 86 SER CA C 86 61.014 61.675 -0.661 1
1 1012 . 17 1 1 A 86 86 SER CB C 86 62.807 62.708 0.099 1
1 1013 . 17 1 1 A 86 86 SER N N 86 115.745 116.422 -0.677 1
1 1014 . 17 1 1 A 87 87 LYS H H 87 7.947 7.851 0.096 1
1 1015 . 17 1 1 A 87 87 LYS HA H 87 4.426 4.226 0.200 1
1 1024 . 17 1 1 A 87 87 LYS C C 87 176.373 176.785 -0.412 1
1 1025 . 17 1 1 A 87 87 LYS CA C 87 55.857 58.873 -3.016 1
1 1026 . 17 1 1 A 87 87 LYS CB C 87 33.386 33.040 0.346 1
1 1030 . 17 1 1 A 87 87 LYS N N 87 118.254 120.263 -2.009 1
1 1031 . 17 1 1 A 88 88 GLY H H 88 7.400 6.918 0.482 1
1 1032 . 17 1 1 A 88 88 GLY HA2 H 88 4.446 4.104 0.342 1
1 1033 . 17 1 1 A 88 88 GLY HA3 H 88 3.990 4.253 -0.263 1
1 1034 . 17 1 1 A 88 88 GLY C C 88 171.366 171.998 -0.632 1
1 1035 . 17 1 1 A 88 88 GLY CA C 88 45.006 46.164 -1.158 1
1 1036 . 17 1 1 A 88 88 GLY N N 88 106.086 104.128 1.958 1
1 1037 . 17 1 1 A 89 89 SER H H 89 8.048 8.490 -0.442 1
1 1038 . 17 1 1 A 89 89 SER HA H 89 3.899 4.485 -0.586 1
1 1041 . 17 1 1 A 89 89 SER CA C 89 56.522 55.612 0.910 1
1 1042 . 17 1 1 A 89 89 SER CB C 89 63.965 64.766 -0.801 1
1 1043 . 17 1 1 A 89 89 SER N N 89 113.549 116.754 -3.205 1
1 1044 . 17 1 1 A 90 90 GLY H H 90 8.282 7.914 0.368 1
1 1045 . 17 1 1 A 90 90 GLY HA2 H 90 4.637 3.998 0.639 1
1 1046 . 17 1 1 A 90 90 GLY HA3 H 90 3.696 4.007 -0.311 1
1 1047 . 17 1 1 A 90 90 GLY CA C 90 44.399 44.031 0.368 1
1 1048 . 17 1 1 A 90 90 GLY N N 90 109.030 107.241 1.789 1
1 1049 . 17 1 1 A 91 91 PRO HA H 91 4.448 4.567 -0.119 1
1 1056 . 17 1 1 A 91 91 PRO C C 91 177.760 175.110 2.650 1
1 1057 . 17 1 1 A 91 91 PRO CA C 91 62.229 62.635 -0.406 1
1 1058 . 17 1 1 A 91 91 PRO CB C 91 32.367 32.999 -0.632 1
1 1061 . 17 1 1 A 92 92 LEU H H 92 8.373 8.334 0.039 1
1 1062 . 17 1 1 A 92 92 LEU HA H 92 4.110 4.728 -0.618 1
1 1072 . 17 1 1 A 92 92 LEU C C 92 176.841 176.438 0.403 1
1 1073 . 17 1 1 A 92 92 LEU CA C 92 55.163 53.517 1.646 1
1 1074 . 17 1 1 A 92 92 LEU CB C 92 43.188 43.358 -0.170 1
1 1078 . 17 1 1 A 92 92 LEU N N 92 121.096 122.061 -0.965 1
1 1079 . 17 1 1 A 93 93 SER H H 93 8.629 9.172 -0.543 1
1 1080 . 17 1 1 A 93 93 SER HA H 93 3.683 4.314 -0.631 1
1 1083 . 17 1 1 A 93 93 SER C C 93 171.637 173.617 -1.980 1
1 1084 . 17 1 1 A 93 93 SER CA C 93 56.900 56.917 -0.017 1
1 1085 . 17 1 1 A 93 93 SER CB C 93 62.923 62.780 0.143 1
1 1086 . 17 1 1 A 93 93 SER N N 93 116.072 121.068 -4.996 1
1 1087 . 17 1 1 A 94 94 PRO HA H 94 4.330 4.506 -0.176 1
1 1094 . 17 1 1 A 94 94 PRO C C 94 178.093 177.193 0.900 1
1 1095 . 17 1 1 A 94 94 PRO CA C 94 63.309 62.644 0.665 1
1 1096 . 17 1 1 A 94 94 PRO CB C 94 31.463 31.759 -0.296 1
1 1099 . 17 1 1 A 95 95 SER H H 95 8.722 8.319 0.403 1
1 1100 . 17 1 1 A 95 95 SER HA H 95 4.923 4.864 0.059 1
1 1103 . 17 1 1 A 95 95 SER C C 95 176.215 175.416 0.799 1
1 1104 . 17 1 1 A 95 95 SER CA C 95 58.955 58.047 0.908 1
1 1105 . 17 1 1 A 95 95 SER CB C 95 64.884 64.302 0.582 1
1 1106 . 17 1 1 A 95 95 SER N N 95 122.184 115.091 7.093 1
1 1107 . 17 1 1 A 96 96 ILE H H 96 8.915 8.448 0.467 1
1 1108 . 17 1 1 A 96 96 ILE HA H 96 4.609 4.493 0.116 1
1 1118 . 17 1 1 A 96 96 ILE C C 96 174.546 176.306 -1.760 1
1 1119 . 17 1 1 A 96 96 ILE CA C 96 59.782 61.221 -1.439 1
1 1120 . 17 1 1 A 96 96 ILE CB C 96 40.995 39.630 1.365 1
1 1124 . 17 1 1 A 96 96 ILE N N 96 115.463 119.972 -4.509 1
1 1125 . 17 1 1 A 97 97 GLN H H 97 8.292 7.853 0.439 1
1 1126 . 17 1 1 A 97 97 GLN HA H 97 5.849 3.899 1.950 1
1 1133 . 17 1 1 A 97 97 GLN C C 97 176.173 174.668 1.505 1
1 1134 . 17 1 1 A 97 97 GLN CA C 97 54.361 56.806 -2.445 1
1 1135 . 17 1 1 A 97 97 GLN CB C 97 31.102 26.557 4.545 1
1 1137 . 17 1 1 A 97 97 GLN N N 97 117.686 118.080 -0.394 1
1 1139 . 17 1 1 A 98 98 SER H H 98 8.751 7.858 0.893 1
1 1140 . 17 1 1 A 98 98 SER HA H 98 4.618 4.492 0.126 1
1 1143 . 17 1 1 A 98 98 SER C C 98 172.310 173.639 -1.329 1
1 1144 . 17 1 1 A 98 98 SER CA C 98 57.019 58.683 -1.664 1
1 1145 . 17 1 1 A 98 98 SER CB C 98 64.588 64.137 0.451 1
1 1146 . 17 1 1 A 98 98 SER N N 98 115.969 113.034 2.935 1
1 1147 . 17 1 1 A 99 99 ARG H H 99 8.519 8.691 -0.172 1
1 1148 . 17 1 1 A 99 99 ARG HA H 99 5.627 5.078 0.549 1
1 1156 . 17 1 1 A 99 99 ARG C C 99 176.394 175.808 0.586 1
1 1157 . 17 1 1 A 99 99 ARG CA C 99 53.705 55.241 -1.536 1
1 1158 . 17 1 1 A 99 99 ARG CB C 99 32.853 31.530 1.323 1
1 1161 . 17 1 1 A 99 99 ARG N N 99 132.343 128.484 3.859 1
1 1163 . 17 1 1 A 100 100 THR H H 100 8.808 8.394 0.414 1
1 1164 . 17 1 1 A 100 100 THR HA H 100 4.182 4.340 -0.158 1
1 1169 . 17 1 1 A 100 100 THR C C 100 175.465 174.505 0.960 1
1 1170 . 17 1 1 A 100 100 THR CA C 100 61.701 62.246 -0.545 1
1 1171 . 17 1 1 A 100 100 THR CB C 100 69.515 70.165 -0.650 1
1 1173 . 17 1 1 A 100 100 THR N N 100 116.147 118.616 -2.469 1
1 1174 . 17 1 1 A 101 101 MET H H 101 7.254 8.432 -1.178 1
1 1175 . 17 1 1 A 101 101 MET HA H 101 4.504 4.756 -0.252 1
1 1183 . 17 1 1 A 101 101 MET C C 101 174.574 175.260 -0.686 1
1 1184 . 17 1 1 A 101 101 MET CA C 101 54.324 53.908 0.416 1
1 1185 . 17 1 1 A 101 101 MET CB C 101 32.235 32.424 -0.189 1
1 1188 . 17 1 1 A 101 101 MET N N 101 117.475 119.826 -2.351 1
1 1189 . 17 1 1 A 102 102 PRO HA H 102 4.647 4.718 -0.071 1
1 1196 . 17 1 1 A 102 102 PRO CA C 102 62.553 62.544 0.009 1
1 1197 . 17 1 1 A 102 102 PRO CB C 102 32.011 31.135 0.876 1
1 1 . 18 1 1 A 6 6 SER HA H 6 4.535 4.428 0.107 1
1 4 . 18 1 1 A 6 6 SER CA C 6 58.104 58.796 -0.692 1
1 5 . 18 1 1 A 6 6 SER CB C 6 64.201 64.230 -0.029 1
1 6 . 18 1 1 A 7 7 GLY H H 7 7.998 8.412 -0.414 1
1 7 . 18 1 1 A 7 7 GLY HA2 H 7 3.978 4.028 -0.050 1
1 8 . 18 1 1 A 7 7 GLY HA3 H 7 3.515 4.059 -0.544 1
1 9 . 18 1 1 A 7 7 GLY CA C 7 44.050 44.512 -0.462 1
1 10 . 18 1 1 A 7 7 GLY N N 7 108.741 109.813 -1.072 1
1 11 . 18 1 1 A 8 8 PRO HA H 8 4.324 4.695 -0.371 1
1 18 . 18 1 1 A 8 8 PRO CA C 8 63.624 62.663 0.961 1
1 19 . 18 1 1 A 8 8 PRO CB C 8 32.235 32.380 -0.145 1
1 22 . 18 1 1 A 9 9 SER H H 9 8.323 8.396 -0.073 1
1 23 . 18 1 1 A 9 9 SER HA H 9 4.512 4.709 -0.197 1
1 26 . 18 1 1 A 9 9 SER C C 9 174.410 174.116 0.294 1
1 27 . 18 1 1 A 9 9 SER CA C 9 57.701 57.276 0.425 1
1 28 . 18 1 1 A 9 9 SER CB C 9 63.909 63.011 0.898 1
1 29 . 18 1 1 A 9 9 SER N N 9 115.299 112.945 2.354 1
1 30 . 18 1 1 A 10 10 GLY H H 10 7.439 7.586 -0.147 1
1 31 . 18 1 1 A 10 10 GLY HA2 H 10 4.383 3.952 0.431 1
1 32 . 18 1 1 A 10 10 GLY HA3 H 10 3.951 4.055 -0.104 1
1 33 . 18 1 1 A 10 10 GLY C C 10 172.743 172.314 0.429 1
1 34 . 18 1 1 A 10 10 GLY CA C 10 43.924 45.395 -1.471 1
1 35 . 18 1 1 A 10 10 GLY N N 10 107.797 110.228 -2.431 1
1 36 . 18 1 1 A 11 11 PHE H H 11 7.534 8.538 -1.004 1
1 37 . 18 1 1 A 11 11 PHE HA H 11 5.519 5.539 -0.020 1
1 44 . 18 1 1 A 11 11 PHE C C 11 173.822 173.530 0.292 1
1 45 . 18 1 1 A 11 11 PHE CA C 11 52.513 55.466 -2.953 1
1 46 . 18 1 1 A 11 11 PHE CB C 11 38.744 42.433 -3.689 1
1 51 . 18 1 1 A 11 11 PHE N N 11 115.246 115.019 0.227 1
1 52 . 18 1 1 A 12 12 PRO HA H 12 4.285 4.719 -0.434 1
1 59 . 18 1 1 A 12 12 PRO C C 12 175.173 175.321 -0.148 1
1 60 . 18 1 1 A 12 12 PRO CA C 12 63.707 62.540 1.167 1
1 61 . 18 1 1 A 12 12 PRO CB C 12 32.344 33.556 -1.212 1
1 64 . 18 1 1 A 13 13 GLN H H 13 7.469 8.308 -0.839 1
1 65 . 18 1 1 A 13 13 GLN HA H 13 4.511 4.895 -0.384 1
1 72 . 18 1 1 A 13 13 GLN C C 13 175.349 175.149 0.200 1
1 73 . 18 1 1 A 13 13 GLN CA C 13 54.572 54.448 0.124 1
1 74 . 18 1 1 A 13 13 GLN CB C 13 32.848 31.995 0.853 1
1 76 . 18 1 1 A 13 13 GLN N N 13 120.555 118.517 2.038 1
1 78 . 18 1 1 A 14 14 ASN H H 14 8.978 8.877 0.101 1
1 79 . 18 1 1 A 14 14 ASN HA H 14 4.424 4.464 -0.040 1
1 84 . 18 1 1 A 14 14 ASN C C 14 174.770 173.895 0.875 1
1 85 . 18 1 1 A 14 14 ASN CA C 14 54.079 54.202 -0.123 1
1 86 . 18 1 1 A 14 14 ASN CB C 14 37.343 36.918 0.425 1
1 87 . 18 1 1 A 14 14 ASN N N 14 114.024 116.004 -1.980 1
1 89 . 18 1 1 A 15 15 LEU H H 15 8.437 7.988 0.449 1
1 90 . 18 1 1 A 15 15 LEU HA H 15 5.062 4.633 0.429 1
1 100 . 18 1 1 A 15 15 LEU C C 15 177.001 175.621 1.380 1
1 101 . 18 1 1 A 15 15 LEU CA C 15 56.667 55.186 1.481 1
1 102 . 18 1 1 A 15 15 LEU CB C 15 41.720 42.807 -1.087 1
1 106 . 18 1 1 A 15 15 LEU N N 15 121.843 121.637 0.206 1
1 107 . 18 1 1 A 16 16 HIS H H 16 9.492 8.233 1.259 1
1 108 . 18 1 1 A 16 16 HIS HA H 16 4.987 5.197 -0.210 1
1 113 . 18 1 1 A 16 16 HIS C C 16 171.333 171.739 -0.406 1
1 114 . 18 1 1 A 16 16 HIS CA C 16 55.153 54.740 0.413 1
1 115 . 18 1 1 A 16 16 HIS CB C 16 30.515 31.794 -1.279 1
1 118 . 18 1 1 A 16 16 HIS N N 16 121.636 121.165 0.471 1
1 119 . 18 1 1 A 17 17 VAL H H 17 8.606 8.607 -0.001 1
1 120 . 18 1 1 A 17 17 VAL HA H 17 4.663 4.397 0.266 1
1 128 . 18 1 1 A 17 17 VAL C C 17 177.740 176.138 1.602 1
1 129 . 18 1 1 A 17 17 VAL CA C 17 61.771 61.626 0.145 1
1 130 . 18 1 1 A 17 17 VAL CB C 17 33.476 33.472 0.004 1
1 133 . 18 1 1 A 17 17 VAL N N 17 120.868 118.829 2.039 1
1 134 . 18 1 1 A 18 18 THR H H 18 9.022 8.816 0.206 1
1 135 . 18 1 1 A 18 18 THR HA H 18 4.516 4.355 0.161 1
1 140 . 18 1 1 A 18 18 THR C C 18 174.913 174.725 0.188 1
1 141 . 18 1 1 A 18 18 THR CA C 18 61.472 63.788 -2.316 1
1 142 . 18 1 1 A 18 18 THR CB C 18 68.725 70.077 -1.352 1
1 144 . 18 1 1 A 18 18 THR N N 18 117.096 122.095 -4.999 1
1 145 . 18 1 1 A 19 19 GLY H H 19 7.443 7.392 0.051 1
1 146 . 18 1 1 A 19 19 GLY HA2 H 19 4.177 4.081 0.096 1
1 147 . 18 1 1 A 19 19 GLY HA3 H 19 3.909 4.090 -0.181 1
1 148 . 18 1 1 A 19 19 GLY C C 19 170.720 172.568 -1.848 1
1 149 . 18 1 1 A 19 19 GLY CA C 19 45.877 45.646 0.231 1
1 150 . 18 1 1 A 19 19 GLY N N 19 111.594 108.465 3.129 1
1 151 . 18 1 1 A 20 20 LEU H H 20 8.400 8.405 -0.005 1
1 152 . 18 1 1 A 20 20 LEU HA H 20 4.803 4.416 0.387 1
1 162 . 18 1 1 A 20 20 LEU C C 20 175.350 176.016 -0.666 1
1 163 . 18 1 1 A 20 20 LEU CA C 20 55.557 54.445 1.112 1
1 164 . 18 1 1 A 20 20 LEU CB C 20 46.554 43.398 3.156 1
1 168 . 18 1 1 A 20 20 LEU N N 20 121.661 121.034 0.627 1
1 169 . 18 1 1 A 21 21 THR H H 21 7.720 8.455 -0.735 1
1 170 . 18 1 1 A 21 21 THR HA H 21 4.900 4.664 0.236 1
1 175 . 18 1 1 A 21 21 THR C C 21 174.986 175.207 -0.221 1
1 176 . 18 1 1 A 21 21 THR CA C 21 61.049 60.877 0.172 1
1 177 . 18 1 1 A 21 21 THR CB C 21 71.081 72.848 -1.767 1
1 179 . 18 1 1 A 21 21 THR N N 21 112.043 112.344 -0.301 1
1 180 . 18 1 1 A 22 22 THR H H 22 7.782 8.764 -0.982 1
1 181 . 18 1 1 A 22 22 THR HA H 22 4.657 4.235 0.422 1
1 186 . 18 1 1 A 22 22 THR C C 22 174.110 176.443 -2.333 1
1 187 . 18 1 1 A 22 22 THR CA C 22 63.654 65.700 -2.046 1
1 188 . 18 1 1 A 22 22 THR CB C 22 69.834 68.365 1.469 1
1 190 . 18 1 1 A 22 22 THR N N 22 110.558 119.088 -8.530 1
1 191 . 18 1 1 A 23 23 SER H H 23 7.289 7.705 -0.416 1
1 192 . 18 1 1 A 23 23 SER HA H 23 4.717 4.815 -0.098 1
1 195 . 18 1 1 A 23 23 SER C C 23 173.680 174.286 -0.606 1
1 196 . 18 1 1 A 23 23 SER CA C 23 57.212 60.160 -2.948 1
1 197 . 18 1 1 A 23 23 SER CB C 23 66.012 64.670 1.342 1
1 198 . 18 1 1 A 23 23 SER N N 23 107.116 116.778 -9.662 1
1 199 . 18 1 1 A 24 24 THR H H 24 7.174 7.583 -0.409 1
1 200 . 18 1 1 A 24 24 THR HA H 24 5.377 4.702 0.675 1
1 205 . 18 1 1 A 24 24 THR C C 24 176.427 173.385 3.042 1
1 206 . 18 1 1 A 24 24 THR CA C 24 58.656 60.164 -1.508 1
1 207 . 18 1 1 A 24 24 THR CB C 24 73.018 71.357 1.661 1
1 209 . 18 1 1 A 24 24 THR N N 24 111.053 110.942 0.111 1
1 210 . 18 1 1 A 25 25 THR H H 25 8.180 8.205 -0.025 1
1 211 . 18 1 1 A 25 25 THR HA H 25 4.608 4.878 -0.270 1
1 216 . 18 1 1 A 25 25 THR C C 25 170.451 173.464 -3.013 1
1 217 . 18 1 1 A 25 25 THR CA C 25 63.619 61.576 2.043 1
1 218 . 18 1 1 A 25 25 THR CB C 25 75.464 71.602 3.862 1
1 220 . 18 1 1 A 25 25 THR N N 25 117.664 116.039 1.625 1
1 221 . 18 1 1 A 26 26 GLU H H 26 9.197 8.735 0.462 1
1 222 . 18 1 1 A 26 26 GLU HA H 26 4.706 4.521 0.185 1
1 227 . 18 1 1 A 26 26 GLU C C 26 174.626 175.581 -0.955 1
1 228 . 18 1 1 A 26 26 GLU CA C 26 55.751 56.984 -1.233 1
1 229 . 18 1 1 A 26 26 GLU CB C 26 30.917 30.733 0.184 1
1 231 . 18 1 1 A 26 26 GLU N N 26 130.706 126.861 3.845 1
1 232 . 18 1 1 A 27 27 LEU H H 27 9.001 8.472 0.529 1
1 233 . 18 1 1 A 27 27 LEU HA H 27 5.273 5.323 -0.050 1
1 243 . 18 1 1 A 27 27 LEU C C 27 176.770 175.677 1.093 1
1 244 . 18 1 1 A 27 27 LEU CA C 27 53.165 53.564 -0.399 1
1 245 . 18 1 1 A 27 27 LEU CB C 27 47.693 47.054 0.639 1
1 249 . 18 1 1 A 27 27 LEU N N 27 124.564 121.046 3.518 1
1 250 . 18 1 1 A 28 28 ALA H H 28 8.640 8.378 0.262 1
1 251 . 18 1 1 A 28 28 ALA HA H 28 4.577 4.704 -0.127 1
1 255 . 18 1 1 A 28 28 ALA C C 28 174.523 175.177 -0.654 1
1 256 . 18 1 1 A 28 28 ALA CA C 28 51.404 51.959 -0.555 1
1 257 . 18 1 1 A 28 28 ALA CB C 28 23.304 20.632 2.672 1
1 258 . 18 1 1 A 28 28 ALA N N 28 122.531 121.352 1.179 1
1 259 . 18 1 1 A 29 29 TRP H H 29 7.581 8.031 -0.450 1
1 260 . 18 1 1 A 29 29 TRP HA H 29 4.868 5.657 -0.789 1
1 269 . 18 1 1 A 29 29 TRP C C 29 172.280 173.404 -1.124 1
1 270 . 18 1 1 A 29 29 TRP CA C 29 56.948 54.443 2.505 1
1 271 . 18 1 1 A 29 29 TRP CB C 29 29.667 32.113 -2.446 1
1 277 . 18 1 1 A 29 29 TRP N N 29 115.551 120.959 -5.408 1
1 279 . 18 1 1 A 30 30 ASP H H 30 9.276 9.495 -0.219 1
1 280 . 18 1 1 A 30 30 ASP HA H 30 5.443 5.025 0.418 1
1 283 . 18 1 1 A 30 30 ASP C C 30 173.846 173.643 0.203 1
1 284 . 18 1 1 A 30 30 ASP CA C 30 51.562 50.876 0.686 1
1 285 . 18 1 1 A 30 30 ASP CB C 30 42.533 42.152 0.381 1
1 286 . 18 1 1 A 30 30 ASP N N 30 117.265 120.060 -2.795 1
1 287 . 18 1 1 A 31 31 PRO HA H 31 5.105 4.920 0.185 1
1 294 . 18 1 1 A 31 31 PRO CA C 31 61.905 61.548 0.357 1
1 295 . 18 1 1 A 31 31 PRO CB C 31 29.864 31.529 -1.665 1
1 298 . 18 1 1 A 32 32 PRO HA H 32 4.580 4.490 0.090 1
1 305 . 18 1 1 A 32 32 PRO CA C 32 62.036 62.751 -0.715 1
1 306 . 18 1 1 A 32 32 PRO CB C 32 30.840 32.258 -1.418 1
1 309 . 18 1 1 A 33 33 VAL H H 33 8.755 8.073 0.682 1
1 310 . 18 1 1 A 33 33 VAL HA H 33 3.994 4.197 -0.203 1
1 318 . 18 1 1 A 33 33 VAL CA C 33 62.553 62.289 0.264 1
1 319 . 18 1 1 A 33 33 VAL CB C 33 31.763 32.287 -0.524 1
1 322 . 18 1 1 A 33 33 VAL N N 33 120.113 119.834 0.279 1
1 323 . 18 1 1 A 34 34 LEU H H 34 8.469 8.811 -0.342 1
1 324 . 18 1 1 A 34 34 LEU HA H 34 3.768 3.904 -0.136 1
1 334 . 18 1 1 A 34 34 LEU CA C 34 58.809 58.107 0.702 1
1 335 . 18 1 1 A 34 34 LEU CB C 34 42.426 41.729 0.697 1
1 339 . 18 1 1 A 34 34 LEU N N 34 125.095 124.941 0.154 1
1 340 . 18 1 1 A 35 35 ALA H H 35 8.586 7.952 0.634 1
1 341 . 18 1 1 A 35 35 ALA HA H 35 4.171 4.082 0.089 1
1 345 . 18 1 1 A 35 35 ALA CA C 35 53.957 55.287 -1.330 1
1 346 . 18 1 1 A 35 35 ALA CB C 35 19.056 18.629 0.427 1
1 347 . 18 1 1 A 35 35 ALA N N 35 119.010 121.657 -2.647 1
1 348 . 18 1 1 A 36 36 GLU H H 36 8.070 8.029 0.041 1
1 349 . 18 1 1 A 36 36 GLU HA H 36 4.305 4.414 -0.109 1
1 354 . 18 1 1 A 36 36 GLU CA C 36 55.527 55.571 -0.044 1
1 355 . 18 1 1 A 36 36 GLU CB C 36 29.845 28.290 1.555 1
1 357 . 18 1 1 A 36 36 GLU N N 36 115.604 114.732 0.872 1
1 358 . 18 1 1 A 37 37 ARG HA H 37 3.758 4.904 -1.146 1
1 365 . 18 1 1 A 37 37 ARG CA C 37 60.050 54.207 5.843 1
1 366 . 18 1 1 A 37 37 ARG CB C 37 30.804 32.925 -2.121 1
1 369 . 18 1 1 A 37 37 ARG N N 37 122.198 122.339 -0.141 1
1 370 . 18 1 1 A 38 38 ASN H H 38 8.093 8.848 -0.755 1
1 371 . 18 1 1 A 38 38 ASN HA H 38 4.291 4.984 -0.693 1
1 376 . 18 1 1 A 38 38 ASN C C 38 174.619 175.263 -0.644 1
1 377 . 18 1 1 A 38 38 ASN CA C 38 53.287 52.404 0.883 1
1 378 . 18 1 1 A 38 38 ASN CB C 38 37.482 38.855 -1.373 1
1 379 . 18 1 1 A 38 38 ASN N N 38 109.319 122.898 -13.579 1
1 381 . 18 1 1 A 39 39 GLY H H 39 7.575 7.449 0.126 1
1 382 . 18 1 1 A 39 39 GLY HA2 H 39 4.320 4.169 0.151 1
1 383 . 18 1 1 A 39 39 GLY HA3 H 39 3.697 4.171 -0.474 1
1 384 . 18 1 1 A 39 39 GLY C C 39 172.138 172.310 -0.172 1
1 385 . 18 1 1 A 39 39 GLY CA C 39 43.766 45.196 -1.430 1
1 386 . 18 1 1 A 39 39 GLY N N 39 105.607 106.619 -1.012 1
1 387 . 18 1 1 A 40 40 ARG H H 40 8.180 8.576 -0.396 1
1 388 . 18 1 1 A 40 40 ARG HA H 40 4.333 5.162 -0.829 1
1 395 . 18 1 1 A 40 40 ARG C C 40 176.395 174.452 1.943 1
1 396 . 18 1 1 A 40 40 ARG CA C 40 55.453 53.951 1.502 1
1 397 . 18 1 1 A 40 40 ARG CB C 40 30.999 34.342 -3.343 1
1 400 . 18 1 1 A 40 40 ARG N N 40 119.566 120.685 -1.119 1
1 401 . 18 1 1 A 41 41 ILE H H 41 8.991 8.871 0.120 1
1 402 . 18 1 1 A 41 41 ILE HA H 41 4.256 4.813 -0.557 1
1 412 . 18 1 1 A 41 41 ILE CA C 41 59.279 60.102 -0.823 1
1 413 . 18 1 1 A 41 41 ILE CB C 41 35.329 40.565 -5.236 1
1 417 . 18 1 1 A 41 41 ILE N N 41 127.226 122.093 5.133 1
1 418 . 18 1 1 A 42 42 ILE H H 42 8.721 8.762 -0.041 1
1 419 . 18 1 1 A 42 42 ILE HA H 42 4.475 4.532 -0.057 1
1 429 . 18 1 1 A 42 42 ILE C C 42 175.959 175.845 0.114 1
1 430 . 18 1 1 A 42 42 ILE CA C 42 61.208 61.185 0.023 1
1 431 . 18 1 1 A 42 42 ILE CB C 42 39.771 39.816 -0.045 1
1 435 . 18 1 1 A 42 42 ILE N N 42 122.018 120.616 1.402 1
1 436 . 18 1 1 A 43 43 SER H H 43 7.425 7.504 -0.079 1
1 437 . 18 1 1 A 43 43 SER HA H 43 4.555 4.882 -0.327 1
1 440 . 18 1 1 A 43 43 SER C C 43 170.232 171.742 -1.510 1
1 441 . 18 1 1 A 43 43 SER CA C 43 58.234 57.377 0.857 1
1 442 . 18 1 1 A 43 43 SER CB C 43 64.287 65.219 -0.932 1
1 443 . 18 1 1 A 43 43 SER N N 43 113.043 115.745 -2.702 1
1 444 . 18 1 1 A 44 44 TYR H H 44 9.297 8.548 0.749 1
1 445 . 18 1 1 A 44 44 TYR HA H 44 5.741 5.628 0.113 1
1 452 . 18 1 1 A 44 44 TYR C C 44 175.735 175.133 0.602 1
1 453 . 18 1 1 A 44 44 TYR CA C 44 57.137 56.732 0.405 1
1 454 . 18 1 1 A 44 44 TYR CB C 44 42.410 43.097 -0.687 1
1 459 . 18 1 1 A 44 44 TYR N N 44 116.157 120.846 -4.689 1
1 460 . 18 1 1 A 45 45 THR H H 45 8.778 8.872 -0.094 1
1 461 . 18 1 1 A 45 45 THR HA H 45 5.094 5.223 -0.129 1
1 466 . 18 1 1 A 45 45 THR C C 45 173.026 173.568 -0.542 1
1 467 . 18 1 1 A 45 45 THR CA C 45 61.853 61.844 0.009 1
1 468 . 18 1 1 A 45 45 THR CB C 45 71.072 69.865 1.207 1
1 470 . 18 1 1 A 45 45 THR N N 45 114.801 116.943 -2.142 1
1 471 . 18 1 1 A 46 46 VAL H H 46 9.145 8.671 0.474 1
1 472 . 18 1 1 A 46 46 VAL HA H 46 4.244 4.688 -0.444 1
1 480 . 18 1 1 A 46 46 VAL C C 46 174.278 175.279 -1.001 1
1 481 . 18 1 1 A 46 46 VAL CA C 46 61.137 62.006 -0.869 1
1 482 . 18 1 1 A 46 46 VAL CB C 46 32.999 30.830 2.169 1
1 485 . 18 1 1 A 46 46 VAL N N 46 127.180 127.759 -0.579 1
1 486 . 18 1 1 A 47 47 VAL H H 47 9.041 8.596 0.445 1
1 487 . 18 1 1 A 47 47 VAL HA H 47 5.004 4.640 0.364 1
1 495 . 18 1 1 A 47 47 VAL C C 47 175.023 175.537 -0.514 1
1 496 . 18 1 1 A 47 47 VAL CA C 47 60.996 62.041 -1.045 1
1 497 . 18 1 1 A 47 47 VAL CB C 47 33.488 31.608 1.880 1
1 500 . 18 1 1 A 47 47 VAL N N 47 128.169 128.700 -0.531 1
1 501 . 18 1 1 A 48 48 PHE H H 48 9.169 9.114 0.055 1
1 502 . 18 1 1 A 48 48 PHE HA H 48 6.209 6.147 0.062 1
1 510 . 18 1 1 A 48 48 PHE C C 48 173.210 173.464 -0.254 1
1 511 . 18 1 1 A 48 48 PHE CA C 48 54.702 55.260 -0.558 1
1 512 . 18 1 1 A 48 48 PHE CB C 48 43.316 42.404 0.912 1
1 518 . 18 1 1 A 48 48 PHE N N 48 123.753 124.060 -0.307 1
1 519 . 18 1 1 A 49 49 ARG H H 49 8.693 8.768 -0.075 1
1 520 . 18 1 1 A 49 49 ARG HA H 49 4.817 4.887 -0.070 1
1 528 . 18 1 1 A 49 49 ARG C C 49 175.280 174.501 0.779 1
1 529 . 18 1 1 A 49 49 ARG CA C 49 54.801 54.398 0.403 1
1 530 . 18 1 1 A 49 49 ARG CB C 49 35.242 34.649 0.593 1
1 533 . 18 1 1 A 49 49 ARG N N 49 118.793 121.595 -2.802 1
1 535 . 18 1 1 A 50 50 ASP H H 50 8.820 8.480 0.340 1
1 536 . 18 1 1 A 50 50 ASP HA H 50 4.029 4.576 -0.547 1
1 539 . 18 1 1 A 50 50 ASP C C 50 178.592 177.216 1.376 1
1 540 . 18 1 1 A 50 50 ASP CA C 50 53.498 53.306 0.192 1
1 541 . 18 1 1 A 50 50 ASP CB C 50 40.543 40.332 0.211 1
1 542 . 18 1 1 A 50 50 ASP N N 50 128.720 124.508 4.212 1
1 543 . 18 1 1 A 51 51 ILE H H 51 8.315 8.393 -0.078 1
1 544 . 18 1 1 A 51 51 ILE HA H 51 3.892 3.729 0.163 1
1 554 . 18 1 1 A 51 51 ILE C C 51 176.905 176.518 0.387 1
1 555 . 18 1 1 A 51 51 ILE CA C 51 64.569 63.703 0.866 1
1 556 . 18 1 1 A 51 51 ILE CB C 51 38.126 37.611 0.515 1
1 560 . 18 1 1 A 51 51 ILE N N 51 124.642 121.612 3.030 1
1 561 . 18 1 1 A 52 52 ASN H H 52 8.677 7.706 0.971 1
1 562 . 18 1 1 A 52 52 ASN HA H 52 4.760 4.816 -0.056 1
1 567 . 18 1 1 A 52 52 ASN C C 52 174.645 174.627 0.018 1
1 568 . 18 1 1 A 52 52 ASN CA C 52 53.851 53.693 0.158 1
1 569 . 18 1 1 A 52 52 ASN CB C 52 39.032 39.145 -0.113 1
1 570 . 18 1 1 A 52 52 ASN N N 52 119.201 118.911 0.290 1
1 572 . 18 1 1 A 53 53 SER H H 53 8.409 8.294 0.115 1
1 573 . 18 1 1 A 53 53 SER HA H 53 4.663 4.934 -0.271 1
1 576 . 18 1 1 A 53 53 SER C C 53 173.861 173.548 0.313 1
1 577 . 18 1 1 A 53 53 SER CA C 53 56.702 57.641 -0.939 1
1 578 . 18 1 1 A 53 53 SER CB C 53 65.730 67.228 -1.498 1
1 579 . 18 1 1 A 53 53 SER N N 53 116.494 115.323 1.171 1
1 580 . 18 1 1 A 54 54 GLN H H 54 8.489 8.433 0.056 1
1 581 . 18 1 1 A 54 54 GLN HA H 54 4.329 4.595 -0.266 1
1 588 . 18 1 1 A 54 54 GLN C C 54 175.789 175.114 0.675 1
1 589 . 18 1 1 A 54 54 GLN CA C 54 55.857 54.794 1.063 1
1 590 . 18 1 1 A 54 54 GLN CB C 54 28.847 28.195 0.652 1
1 592 . 18 1 1 A 54 54 GLN N N 54 119.700 119.053 0.647 1
1 594 . 18 1 1 A 55 55 GLN H H 55 8.108 7.625 0.483 1
1 595 . 18 1 1 A 55 55 GLN HA H 55 4.269 4.779 -0.510 1
1 602 . 18 1 1 A 55 55 GLN C C 55 174.076 174.480 -0.404 1
1 603 . 18 1 1 A 55 55 GLN CA C 55 55.689 54.756 0.933 1
1 604 . 18 1 1 A 55 55 GLN CB C 55 29.352 30.012 -0.660 1
1 606 . 18 1 1 A 55 55 GLN N N 55 120.355 121.625 -1.270 1
1 608 . 18 1 1 A 56 56 GLU H H 56 8.603 8.843 -0.240 1
1 609 . 18 1 1 A 56 56 GLU HA H 56 4.372 4.775 -0.403 1
1 614 . 18 1 1 A 56 56 GLU C C 56 175.058 175.353 -0.295 1
1 615 . 18 1 1 A 56 56 GLU CA C 56 55.594 55.911 -0.317 1
1 616 . 18 1 1 A 56 56 GLU CB C 56 31.640 31.109 0.531 1
1 618 . 18 1 1 A 56 56 GLU N N 56 126.250 128.671 -2.421 1
1 619 . 18 1 1 A 57 57 LEU H H 57 8.520 7.990 0.530 1
1 620 . 18 1 1 A 57 57 LEU HA H 57 4.458 4.652 -0.194 1
1 630 . 18 1 1 A 57 57 LEU C C 57 174.850 174.915 -0.065 1
1 631 . 18 1 1 A 57 57 LEU CA C 57 53.780 53.336 0.444 1
1 632 . 18 1 1 A 57 57 LEU CB C 57 43.903 45.969 -2.066 1
1 636 . 18 1 1 A 57 57 LEU N N 57 127.205 125.845 1.360 1
1 637 . 18 1 1 A 58 58 GLN H H 58 7.992 8.560 -0.568 1
1 638 . 18 1 1 A 58 58 GLN HA H 58 5.865 5.255 0.610 1
1 645 . 18 1 1 A 58 58 GLN C C 58 175.948 174.372 1.576 1
1 646 . 18 1 1 A 58 58 GLN CA C 58 53.944 54.284 -0.340 1
1 647 . 18 1 1 A 58 58 GLN CB C 58 32.786 33.558 -0.772 1
1 649 . 18 1 1 A 58 58 GLN N N 58 113.562 120.443 -6.881 1
1 651 . 18 1 1 A 59 59 ASN H H 59 9.073 8.595 0.478 1
1 652 . 18 1 1 A 59 59 ASN HA H 59 5.068 5.385 -0.317 1
1 657 . 18 1 1 A 59 59 ASN C C 59 172.790 174.014 -1.224 1
1 658 . 18 1 1 A 59 59 ASN CA C 59 53.023 51.695 1.328 1
1 659 . 18 1 1 A 59 59 ASN CB C 59 45.541 42.902 2.639 1
1 660 . 18 1 1 A 59 59 ASN N N 59 119.984 117.274 2.710 1
1 662 . 18 1 1 A 60 60 ILE H H 60 8.491 8.417 0.074 1
1 663 . 18 1 1 A 60 60 ILE HA H 60 5.147 5.075 0.072 1
1 673 . 18 1 1 A 60 60 ILE C C 60 175.088 174.243 0.845 1
1 674 . 18 1 1 A 60 60 ILE CA C 60 59.853 60.121 -0.268 1
1 675 . 18 1 1 A 60 60 ILE CB C 60 40.891 41.621 -0.730 1
1 679 . 18 1 1 A 60 60 ILE N N 60 119.480 120.054 -0.574 1
1 680 . 18 1 1 A 61 61 THR H H 61 8.755 8.506 0.249 1
1 681 . 18 1 1 A 61 61 THR HA H 61 4.976 5.219 -0.243 1
1 686 . 18 1 1 A 61 61 THR C C 61 172.097 174.124 -2.027 1
1 687 . 18 1 1 A 61 61 THR CA C 61 59.905 60.194 -0.289 1
1 688 . 18 1 1 A 61 61 THR CB C 61 69.505 71.606 -2.101 1
1 690 . 18 1 1 A 61 61 THR N N 61 118.083 120.049 -1.966 1
1 691 . 18 1 1 A 62 62 THR H H 62 8.325 8.591 -0.266 1
1 692 . 18 1 1 A 62 62 THR HA H 62 4.641 4.474 0.167 1
1 697 . 18 1 1 A 62 62 THR C C 62 174.386 173.899 0.487 1
1 698 . 18 1 1 A 62 62 THR CA C 62 62.440 62.565 -0.125 1
1 699 . 18 1 1 A 62 62 THR CB C 62 69.355 68.914 0.441 1
1 701 . 18 1 1 A 62 62 THR N N 62 115.077 117.521 -2.444 1
1 702 . 18 1 1 A 63 63 ASP H H 63 8.611 7.380 1.231 1
1 703 . 18 1 1 A 63 63 ASP HA H 63 4.962 5.014 -0.052 1
1 706 . 18 1 1 A 63 63 ASP C C 63 172.906 176.797 -3.891 1
1 707 . 18 1 1 A 63 63 ASP CA C 63 52.981 52.913 0.068 1
1 708 . 18 1 1 A 63 63 ASP CB C 63 43.465 43.587 -0.122 1
1 709 . 18 1 1 A 63 63 ASP N N 63 125.713 121.795 3.918 1
1 710 . 18 1 1 A 64 64 THR H H 64 7.925 8.282 -0.357 1
1 711 . 18 1 1 A 64 64 THR HA H 64 3.088 3.722 -0.634 1
1 716 . 18 1 1 A 64 64 THR C C 64 172.176 171.960 0.216 1
1 717 . 18 1 1 A 64 64 THR CA C 64 59.078 61.436 -2.358 1
1 718 . 18 1 1 A 64 64 THR CB C 64 66.137 68.100 -1.963 1
1 720 . 18 1 1 A 64 64 THR N N 64 104.287 112.963 -8.676 1
1 721 . 18 1 1 A 65 65 ARG H H 65 6.387 7.349 -0.962 1
1 722 . 18 1 1 A 65 65 ARG HA H 65 4.221 3.836 0.385 1
1 729 . 18 1 1 A 65 65 ARG C C 65 174.862 174.292 0.570 1
1 730 . 18 1 1 A 65 65 ARG CA C 65 54.132 53.376 0.756 1
1 731 . 18 1 1 A 65 65 ARG CB C 65 32.928 33.861 -0.933 1
1 734 . 18 1 1 A 65 65 ARG N N 65 115.062 118.626 -3.564 1
1 735 . 18 1 1 A 66 66 PHE H H 66 8.177 8.952 -0.775 1
1 736 . 18 1 1 A 66 66 PHE HA H 66 4.373 4.892 -0.519 1
1 744 . 18 1 1 A 66 66 PHE C C 66 172.804 173.202 -0.398 1
1 745 . 18 1 1 A 66 66 PHE CA C 66 59.536 58.206 1.330 1
1 746 . 18 1 1 A 66 66 PHE CB C 66 44.469 41.496 2.973 1
1 752 . 18 1 1 A 66 66 PHE N N 66 119.991 119.447 0.544 1
1 753 . 18 1 1 A 67 67 THR H H 67 7.332 7.348 -0.016 1
1 754 . 18 1 1 A 67 67 THR HA H 67 4.628 5.140 -0.512 1
1 759 . 18 1 1 A 67 67 THR C C 67 172.910 173.878 -0.968 1
1 760 . 18 1 1 A 67 67 THR CA C 67 61.261 61.203 0.058 1
1 761 . 18 1 1 A 67 67 THR CB C 67 69.260 71.377 -2.117 1
1 763 . 18 1 1 A 67 67 THR N N 67 123.294 116.481 6.813 1
1 764 . 18 1 1 A 68 68 LEU H H 68 8.776 9.181 -0.405 1
1 765 . 18 1 1 A 68 68 LEU HA H 68 4.192 4.196 -0.004 1
1 775 . 18 1 1 A 68 68 LEU C C 68 176.337 175.915 0.422 1
1 776 . 18 1 1 A 68 68 LEU CA C 68 54.394 54.700 -0.306 1
1 777 . 18 1 1 A 68 68 LEU CB C 68 42.394 42.240 0.154 1
1 781 . 18 1 1 A 68 68 LEU N N 68 126.969 127.893 -0.924 1
1 782 . 18 1 1 A 69 69 THR H H 69 7.921 8.290 -0.369 1
1 783 . 18 1 1 A 69 69 THR HA H 69 4.814 4.682 0.132 1
1 788 . 18 1 1 A 69 69 THR C C 69 173.856 173.628 0.228 1
1 789 . 18 1 1 A 69 69 THR CA C 69 59.694 60.566 -0.872 1
1 790 . 18 1 1 A 69 69 THR CB C 69 71.829 71.462 0.367 1
1 792 . 18 1 1 A 69 69 THR N N 69 111.246 111.706 -0.460 1
1 793 . 18 1 1 A 70 70 GLY H H 70 8.894 8.639 0.255 1
1 794 . 18 1 1 A 70 70 GLY HA2 H 70 3.930 3.855 0.075 1
1 795 . 18 1 1 A 70 70 GLY HA3 H 70 3.809 3.881 -0.072 1
1 796 . 18 1 1 A 70 70 GLY C C 70 175.589 174.316 1.273 1
1 797 . 18 1 1 A 70 70 GLY CA C 70 46.178 46.934 -0.756 1
1 798 . 18 1 1 A 70 70 GLY N N 70 107.415 112.435 -5.020 1
1 799 . 18 1 1 A 71 71 LEU H H 71 8.341 7.411 0.930 1
1 800 . 18 1 1 A 71 71 LEU HA H 71 4.195 4.846 -0.651 1
1 810 . 18 1 1 A 71 71 LEU C C 71 175.422 174.847 0.575 1
1 811 . 18 1 1 A 71 71 LEU CA C 71 53.429 52.962 0.467 1
1 812 . 18 1 1 A 71 71 LEU CB C 71 40.650 43.961 -3.311 1
1 816 . 18 1 1 A 71 71 LEU N N 71 118.621 119.962 -1.341 1
1 817 . 18 1 1 A 72 72 LYS H H 72 8.298 9.466 -1.168 1
1 818 . 18 1 1 A 72 72 LYS HA H 72 4.631 4.869 -0.238 1
1 827 . 18 1 1 A 72 72 LYS C C 72 174.599 175.203 -0.604 1
1 828 . 18 1 1 A 72 72 LYS CA C 72 53.851 53.908 -0.057 1
1 829 . 18 1 1 A 72 72 LYS CB C 72 33.619 34.592 -0.973 1
1 833 . 18 1 1 A 72 72 LYS N N 72 121.340 122.376 -1.036 1
1 834 . 18 1 1 A 73 73 PRO HA H 73 5.086 4.733 0.353 1
1 841 . 18 1 1 A 73 73 PRO C C 73 178.198 177.266 0.932 1
1 842 . 18 1 1 A 73 73 PRO CA C 73 62.897 63.507 -0.610 1
1 843 . 18 1 1 A 73 73 PRO CB C 73 33.198 32.149 1.049 1
1 846 . 18 1 1 A 74 74 ASP H H 74 7.537 9.023 -1.486 1
1 847 . 18 1 1 A 74 74 ASP HA H 74 4.290 4.275 0.015 1
1 850 . 18 1 1 A 74 74 ASP C C 74 174.390 174.708 -0.318 1
1 851 . 18 1 1 A 74 74 ASP CA C 74 54.343 55.122 -0.779 1
1 852 . 18 1 1 A 74 74 ASP CB C 74 41.393 39.738 1.655 1
1 853 . 18 1 1 A 74 74 ASP N N 74 126.834 121.644 5.190 1
1 854 . 18 1 1 A 75 75 THR H H 75 8.197 7.206 0.991 1
1 855 . 18 1 1 A 75 75 THR HA H 75 4.316 4.882 -0.566 1
1 860 . 18 1 1 A 75 75 THR C C 75 172.076 173.419 -1.343 1
1 861 . 18 1 1 A 75 75 THR CA C 75 63.087 61.164 1.923 1
1 862 . 18 1 1 A 75 75 THR CB C 75 71.822 72.415 -0.593 1
1 864 . 18 1 1 A 75 75 THR N N 75 113.905 112.333 1.572 1
1 865 . 18 1 1 A 76 76 THR H H 76 8.606 8.790 -0.184 1
1 866 . 18 1 1 A 76 76 THR HA H 76 4.641 4.428 0.213 1
1 871 . 18 1 1 A 76 76 THR C C 76 172.308 173.837 -1.529 1
1 872 . 18 1 1 A 76 76 THR CA C 76 63.197 63.310 -0.113 1
1 873 . 18 1 1 A 76 76 THR CB C 76 68.333 69.237 -0.904 1
1 875 . 18 1 1 A 76 76 THR N N 76 124.170 121.190 2.980 1
1 876 . 18 1 1 A 77 77 TYR H H 77 9.230 8.888 0.342 1
1 877 . 18 1 1 A 77 77 TYR HA H 77 5.084 5.211 -0.127 1
1 884 . 18 1 1 A 77 77 TYR C C 77 174.065 174.395 -0.330 1
1 885 . 18 1 1 A 77 77 TYR CA C 77 57.443 56.394 1.049 1
1 886 . 18 1 1 A 77 77 TYR CB C 77 41.115 40.014 1.101 1
1 891 . 18 1 1 A 77 77 TYR N N 77 125.729 125.912 -0.183 1
1 892 . 18 1 1 A 78 78 ASP H H 78 9.222 9.225 -0.003 1
1 893 . 18 1 1 A 78 78 ASP HA H 78 5.288 4.777 0.511 1
1 896 . 18 1 1 A 78 78 ASP C C 78 176.268 174.872 1.396 1
1 897 . 18 1 1 A 78 78 ASP CA C 78 53.565 54.493 -0.928 1
1 898 . 18 1 1 A 78 78 ASP CB C 78 44.874 41.065 3.809 1
1 899 . 18 1 1 A 78 78 ASP N N 78 124.016 125.730 -1.714 1
1 900 . 18 1 1 A 79 79 ILE H H 79 9.210 8.974 0.236 1
1 901 . 18 1 1 A 79 79 ILE HA H 79 5.027 5.392 -0.365 1
1 911 . 18 1 1 A 79 79 ILE C C 79 172.968 174.817 -1.849 1
1 912 . 18 1 1 A 79 79 ILE CA C 79 61.102 60.022 1.080 1
1 913 . 18 1 1 A 79 79 ILE CB C 79 41.830 39.910 1.920 1
1 917 . 18 1 1 A 79 79 ILE N N 79 127.527 127.328 0.199 1
1 918 . 18 1 1 A 80 80 LYS H H 80 8.930 9.358 -0.428 1
1 919 . 18 1 1 A 80 80 LYS HA H 80 4.282 5.088 -0.806 1
1 928 . 18 1 1 A 80 80 LYS C C 80 173.716 174.416 -0.700 1
1 929 . 18 1 1 A 80 80 LYS CA C 80 54.749 53.929 0.820 1
1 930 . 18 1 1 A 80 80 LYS CB C 80 37.864 36.824 1.040 1
1 934 . 18 1 1 A 80 80 LYS N N 80 122.620 124.669 -2.049 1
1 935 . 18 1 1 A 81 81 VAL H H 81 8.070 8.905 -0.835 1
1 936 . 18 1 1 A 81 81 VAL HA H 81 5.365 4.983 0.382 1
1 944 . 18 1 1 A 81 81 VAL C C 81 174.099 173.734 0.365 1
1 945 . 18 1 1 A 81 81 VAL CA C 81 59.228 59.402 -0.174 1
1 946 . 18 1 1 A 81 81 VAL CB C 81 36.108 35.050 1.058 1
1 949 . 18 1 1 A 81 81 VAL N N 81 115.045 118.977 -3.932 1
1 950 . 18 1 1 A 82 82 ARG H H 82 8.733 8.887 -0.154 1
1 951 . 18 1 1 A 82 82 ARG HA H 82 4.984 5.117 -0.133 1
1 959 . 18 1 1 A 82 82 ARG C C 82 172.874 174.332 -1.458 1
1 960 . 18 1 1 A 82 82 ARG CA C 82 53.552 54.929 -1.377 1
1 961 . 18 1 1 A 82 82 ARG CB C 82 34.521 34.064 0.457 1
1 964 . 18 1 1 A 82 82 ARG N N 82 122.032 122.552 -0.520 1
1 966 . 18 1 1 A 83 83 ALA H H 83 9.221 8.593 0.628 1
1 967 . 18 1 1 A 83 83 ALA HA H 83 5.132 4.074 1.058 1
1 971 . 18 1 1 A 83 83 ALA C C 83 174.998 176.953 -1.955 1
1 972 . 18 1 1 A 83 83 ALA CA C 83 50.383 51.787 -1.404 1
1 973 . 18 1 1 A 83 83 ALA CB C 83 23.472 19.592 3.880 1
1 974 . 18 1 1 A 83 83 ALA N N 83 124.044 125.402 -1.358 1
1 975 . 18 1 1 A 84 84 TRP H H 84 8.387 8.799 -0.412 1
1 976 . 18 1 1 A 84 84 TRP HA H 84 5.020 5.399 -0.379 1
1 985 . 18 1 1 A 84 84 TRP C C 84 177.430 175.671 1.759 1
1 986 . 18 1 1 A 84 84 TRP CA C 84 56.807 56.043 0.764 1
1 987 . 18 1 1 A 84 84 TRP CB C 84 31.235 32.221 -0.986 1
1 993 . 18 1 1 A 84 84 TRP N N 84 117.779 120.978 -3.199 1
1 995 . 18 1 1 A 85 85 THR H H 85 8.698 9.019 -0.321 1
1 996 . 18 1 1 A 85 85 THR HA H 85 5.190 5.043 0.147 1
1 1001 . 18 1 1 A 85 85 THR C C 85 176.429 175.799 0.630 1
1 1002 . 18 1 1 A 85 85 THR CA C 85 59.958 60.087 -0.129 1
1 1003 . 18 1 1 A 85 85 THR CB C 85 72.646 71.985 0.661 1
1 1005 . 18 1 1 A 85 85 THR N N 85 111.404 113.441 -2.037 1
1 1006 . 18 1 1 A 86 86 SER H H 86 9.765 9.198 0.567 1
1 1007 . 18 1 1 A 86 86 SER HA H 86 4.242 4.177 0.065 1
1 1010 . 18 1 1 A 86 86 SER C C 86 174.834 176.170 -1.336 1
1 1011 . 18 1 1 A 86 86 SER CA C 86 61.014 61.907 -0.893 1
1 1012 . 18 1 1 A 86 86 SER CB C 86 62.807 63.044 -0.237 1
1 1013 . 18 1 1 A 86 86 SER N N 86 115.745 118.417 -2.672 1
1 1014 . 18 1 1 A 87 87 LYS H H 87 7.947 7.698 0.249 1
1 1015 . 18 1 1 A 87 87 LYS HA H 87 4.426 4.267 0.159 1
1 1024 . 18 1 1 A 87 87 LYS C C 87 176.373 176.847 -0.474 1
1 1025 . 18 1 1 A 87 87 LYS CA C 87 55.857 57.978 -2.121 1
1 1026 . 18 1 1 A 87 87 LYS CB C 87 33.386 33.413 -0.027 1
1 1030 . 18 1 1 A 87 87 LYS N N 87 118.254 118.428 -0.174 1
1 1031 . 18 1 1 A 88 88 GLY H H 88 7.400 7.006 0.394 1
1 1032 . 18 1 1 A 88 88 GLY HA2 H 88 4.446 4.063 0.383 1
1 1033 . 18 1 1 A 88 88 GLY HA3 H 88 3.990 4.199 -0.209 1
1 1034 . 18 1 1 A 88 88 GLY C C 88 171.366 172.010 -0.644 1
1 1035 . 18 1 1 A 88 88 GLY CA C 88 45.006 46.136 -1.130 1
1 1036 . 18 1 1 A 88 88 GLY N N 88 106.086 104.166 1.920 1
1 1037 . 18 1 1 A 89 89 SER H H 89 8.048 8.456 -0.408 1
1 1038 . 18 1 1 A 89 89 SER HA H 89 3.899 4.620 -0.721 1
1 1041 . 18 1 1 A 89 89 SER CA C 89 56.522 55.610 0.912 1
1 1042 . 18 1 1 A 89 89 SER CB C 89 63.965 65.257 -1.292 1
1 1043 . 18 1 1 A 89 89 SER N N 89 113.549 116.381 -2.832 1
1 1044 . 18 1 1 A 90 90 GLY H H 90 8.282 7.893 0.389 1
1 1045 . 18 1 1 A 90 90 GLY HA2 H 90 4.637 4.046 0.591 1
1 1046 . 18 1 1 A 90 90 GLY HA3 H 90 3.696 4.060 -0.364 1
1 1047 . 18 1 1 A 90 90 GLY CA C 90 44.399 44.199 0.200 1
1 1048 . 18 1 1 A 90 90 GLY N N 90 109.030 106.815 2.215 1
1 1049 . 18 1 1 A 91 91 PRO HA H 91 4.448 4.528 -0.080 1
1 1056 . 18 1 1 A 91 91 PRO C C 91 177.760 175.120 2.640 1
1 1057 . 18 1 1 A 91 91 PRO CA C 91 62.229 62.427 -0.198 1
1 1058 . 18 1 1 A 91 91 PRO CB C 91 32.367 33.333 -0.966 1
1 1061 . 18 1 1 A 92 92 LEU H H 92 8.373 8.322 0.051 1
1 1062 . 18 1 1 A 92 92 LEU HA H 92 4.110 4.763 -0.653 1
1 1072 . 18 1 1 A 92 92 LEU C C 92 176.841 176.402 0.439 1
1 1073 . 18 1 1 A 92 92 LEU CA C 92 55.163 53.314 1.849 1
1 1074 . 18 1 1 A 92 92 LEU CB C 92 43.188 44.181 -0.993 1
1 1078 . 18 1 1 A 92 92 LEU N N 92 121.096 121.809 -0.713 1
1 1079 . 18 1 1 A 93 93 SER H H 93 8.629 9.263 -0.634 1
1 1080 . 18 1 1 A 93 93 SER HA H 93 3.683 4.389 -0.706 1
1 1083 . 18 1 1 A 93 93 SER C C 93 171.637 173.627 -1.990 1
1 1084 . 18 1 1 A 93 93 SER CA C 93 56.900 56.940 -0.040 1
1 1085 . 18 1 1 A 93 93 SER CB C 93 62.923 62.878 0.045 1
1 1086 . 18 1 1 A 93 93 SER N N 93 116.072 121.073 -5.001 1
1 1087 . 18 1 1 A 94 94 PRO HA H 94 4.330 4.524 -0.194 1
1 1094 . 18 1 1 A 94 94 PRO C C 94 178.093 177.190 0.903 1
1 1095 . 18 1 1 A 94 94 PRO CA C 94 63.309 62.612 0.697 1
1 1096 . 18 1 1 A 94 94 PRO CB C 94 31.463 31.788 -0.325 1
1 1099 . 18 1 1 A 95 95 SER H H 95 8.722 8.333 0.389 1
1 1100 . 18 1 1 A 95 95 SER HA H 95 4.923 4.920 0.003 1
1 1103 . 18 1 1 A 95 95 SER C C 95 176.215 175.413 0.802 1
1 1104 . 18 1 1 A 95 95 SER CA C 95 58.955 58.028 0.927 1
1 1105 . 18 1 1 A 95 95 SER CB C 95 64.884 64.406 0.478 1
1 1106 . 18 1 1 A 95 95 SER N N 95 122.184 115.003 7.181 1
1 1107 . 18 1 1 A 96 96 ILE H H 96 8.915 8.483 0.432 1
1 1108 . 18 1 1 A 96 96 ILE HA H 96 4.609 4.501 0.108 1
1 1118 . 18 1 1 A 96 96 ILE C C 96 174.546 176.343 -1.797 1
1 1119 . 18 1 1 A 96 96 ILE CA C 96 59.782 61.221 -1.439 1
1 1120 . 18 1 1 A 96 96 ILE CB C 96 40.995 39.809 1.186 1
1 1124 . 18 1 1 A 96 96 ILE N N 96 115.463 119.901 -4.438 1
1 1125 . 18 1 1 A 97 97 GLN H H 97 8.292 7.839 0.453 1
1 1126 . 18 1 1 A 97 97 GLN HA H 97 5.849 3.978 1.871 1
1 1133 . 18 1 1 A 97 97 GLN C C 97 176.173 174.640 1.533 1
1 1134 . 18 1 1 A 97 97 GLN CA C 97 54.361 56.958 -2.597 1
1 1135 . 18 1 1 A 97 97 GLN CB C 97 31.102 26.465 4.637 1
1 1137 . 18 1 1 A 97 97 GLN N N 97 117.686 117.961 -0.275 1
1 1139 . 18 1 1 A 98 98 SER H H 98 8.751 7.838 0.913 1
1 1140 . 18 1 1 A 98 98 SER HA H 98 4.618 4.555 0.063 1
1 1143 . 18 1 1 A 98 98 SER C C 98 172.310 173.518 -1.208 1
1 1144 . 18 1 1 A 98 98 SER CA C 98 57.019 58.172 -1.153 1
1 1145 . 18 1 1 A 98 98 SER CB C 98 64.588 63.475 1.113 1
1 1146 . 18 1 1 A 98 98 SER N N 98 115.969 113.256 2.713 1
1 1147 . 18 1 1 A 99 99 ARG H H 99 8.519 8.816 -0.297 1
1 1148 . 18 1 1 A 99 99 ARG HA H 99 5.627 5.066 0.561 1
1 1156 . 18 1 1 A 99 99 ARG C C 99 176.394 175.967 0.427 1
1 1157 . 18 1 1 A 99 99 ARG CA C 99 53.705 55.902 -2.197 1
1 1158 . 18 1 1 A 99 99 ARG CB C 99 32.853 31.117 1.736 1
1 1161 . 18 1 1 A 99 99 ARG N N 99 132.343 129.522 2.821 1
1 1163 . 18 1 1 A 100 100 THR H H 100 8.808 8.326 0.482 1
1 1164 . 18 1 1 A 100 100 THR HA H 100 4.182 4.311 -0.129 1
1 1169 . 18 1 1 A 100 100 THR C C 100 175.465 174.380 1.085 1
1 1170 . 18 1 1 A 100 100 THR CA C 100 61.701 62.553 -0.852 1
1 1171 . 18 1 1 A 100 100 THR CB C 100 69.515 70.049 -0.534 1
1 1173 . 18 1 1 A 100 100 THR N N 100 116.147 118.298 -2.151 1
1 1174 . 18 1 1 A 101 101 MET H H 101 7.254 8.502 -1.248 1
1 1175 . 18 1 1 A 101 101 MET HA H 101 4.504 4.672 -0.168 1
1 1183 . 18 1 1 A 101 101 MET C C 101 174.574 175.369 -0.795 1
1 1184 . 18 1 1 A 101 101 MET CA C 101 54.324 54.048 0.276 1
1 1185 . 18 1 1 A 101 101 MET CB C 101 32.235 32.360 -0.125 1
1 1188 . 18 1 1 A 101 101 MET N N 101 117.475 121.521 -4.046 1
1 1189 . 18 1 1 A 102 102 PRO HA H 102 4.647 4.716 -0.069 1
1 1196 . 18 1 1 A 102 102 PRO CA C 102 62.553 62.583 -0.030 1
1 1197 . 18 1 1 A 102 102 PRO CB C 102 32.011 31.215 0.796 1
1 1 . 19 1 1 A 6 6 SER HA H 6 4.535 4.914 -0.379 1
1 4 . 19 1 1 A 6 6 SER CA C 6 58.104 57.208 0.896 1
1 5 . 19 1 1 A 6 6 SER CB C 6 64.201 67.421 -3.220 1
1 6 . 19 1 1 A 7 7 GLY H H 7 7.998 8.421 -0.423 1
1 7 . 19 1 1 A 7 7 GLY HA2 H 7 3.978 4.034 -0.056 1
1 8 . 19 1 1 A 7 7 GLY HA3 H 7 3.515 4.073 -0.558 1
1 9 . 19 1 1 A 7 7 GLY CA C 7 44.050 44.326 -0.276 1
1 10 . 19 1 1 A 7 7 GLY N N 7 108.741 109.448 -0.707 1
1 11 . 19 1 1 A 8 8 PRO HA H 8 4.324 4.679 -0.355 1
1 18 . 19 1 1 A 8 8 PRO CA C 8 63.624 62.567 1.057 1
1 19 . 19 1 1 A 8 8 PRO CB C 8 32.235 33.243 -1.008 1
1 22 . 19 1 1 A 9 9 SER H H 9 8.323 8.342 -0.019 1
1 23 . 19 1 1 A 9 9 SER HA H 9 4.512 4.790 -0.278 1
1 26 . 19 1 1 A 9 9 SER C C 9 174.410 174.177 0.233 1
1 27 . 19 1 1 A 9 9 SER CA C 9 57.701 56.923 0.778 1
1 28 . 19 1 1 A 9 9 SER CB C 9 63.909 63.270 0.639 1
1 29 . 19 1 1 A 9 9 SER N N 9 115.299 112.770 2.529 1
1 30 . 19 1 1 A 10 10 GLY H H 10 7.439 7.583 -0.144 1
1 31 . 19 1 1 A 10 10 GLY HA2 H 10 4.383 3.981 0.402 1
1 32 . 19 1 1 A 10 10 GLY HA3 H 10 3.951 4.017 -0.066 1
1 33 . 19 1 1 A 10 10 GLY C C 10 172.743 172.256 0.487 1
1 34 . 19 1 1 A 10 10 GLY CA C 10 43.924 45.263 -1.339 1
1 35 . 19 1 1 A 10 10 GLY N N 10 107.797 110.175 -2.378 1
1 36 . 19 1 1 A 11 11 PHE H H 11 7.534 8.329 -0.795 1
1 37 . 19 1 1 A 11 11 PHE HA H 11 5.519 5.553 -0.034 1
1 44 . 19 1 1 A 11 11 PHE C C 11 173.822 173.299 0.523 1
1 45 . 19 1 1 A 11 11 PHE CA C 11 52.513 55.365 -2.852 1
1 46 . 19 1 1 A 11 11 PHE CB C 11 38.744 42.098 -3.354 1
1 51 . 19 1 1 A 11 11 PHE N N 11 115.246 115.204 0.042 1
1 52 . 19 1 1 A 12 12 PRO HA H 12 4.285 4.729 -0.444 1
1 59 . 19 1 1 A 12 12 PRO C C 12 175.173 175.537 -0.364 1
1 60 . 19 1 1 A 12 12 PRO CA C 12 63.707 62.634 1.073 1
1 61 . 19 1 1 A 12 12 PRO CB C 12 32.344 33.486 -1.142 1
1 64 . 19 1 1 A 13 13 GLN H H 13 7.469 9.059 -1.590 1
1 65 . 19 1 1 A 13 13 GLN HA H 13 4.511 4.811 -0.300 1
1 72 . 19 1 1 A 13 13 GLN C C 13 175.349 175.207 0.142 1
1 73 . 19 1 1 A 13 13 GLN CA C 13 54.572 54.427 0.145 1
1 74 . 19 1 1 A 13 13 GLN CB C 13 32.848 31.504 1.344 1
1 76 . 19 1 1 A 13 13 GLN N N 13 120.555 119.087 1.468 1
1 78 . 19 1 1 A 14 14 ASN H H 14 8.978 8.887 0.091 1
1 79 . 19 1 1 A 14 14 ASN HA H 14 4.424 4.356 0.068 1
1 84 . 19 1 1 A 14 14 ASN C C 14 174.770 173.767 1.003 1
1 85 . 19 1 1 A 14 14 ASN CA C 14 54.079 54.047 0.032 1
1 86 . 19 1 1 A 14 14 ASN CB C 14 37.343 37.102 0.241 1
1 87 . 19 1 1 A 14 14 ASN N N 14 114.024 116.064 -2.040 1
1 89 . 19 1 1 A 15 15 LEU H H 15 8.437 7.981 0.456 1
1 90 . 19 1 1 A 15 15 LEU HA H 15 5.062 4.671 0.391 1
1 100 . 19 1 1 A 15 15 LEU C C 15 177.001 175.455 1.546 1
1 101 . 19 1 1 A 15 15 LEU CA C 15 56.667 54.935 1.732 1
1 102 . 19 1 1 A 15 15 LEU CB C 15 41.720 42.434 -0.714 1
1 106 . 19 1 1 A 15 15 LEU N N 15 121.843 121.676 0.167 1
1 107 . 19 1 1 A 16 16 HIS H H 16 9.492 8.233 1.259 1
1 108 . 19 1 1 A 16 16 HIS HA H 16 4.987 5.187 -0.200 1
1 113 . 19 1 1 A 16 16 HIS C C 16 171.333 171.740 -0.407 1
1 114 . 19 1 1 A 16 16 HIS CA C 16 55.153 54.691 0.462 1
1 115 . 19 1 1 A 16 16 HIS CB C 16 30.515 31.939 -1.424 1
1 118 . 19 1 1 A 16 16 HIS N N 16 121.636 121.320 0.316 1
1 119 . 19 1 1 A 17 17 VAL H H 17 8.606 8.629 -0.023 1
1 120 . 19 1 1 A 17 17 VAL HA H 17 4.663 4.898 -0.235 1
1 128 . 19 1 1 A 17 17 VAL C C 17 177.740 176.137 1.603 1
1 129 . 19 1 1 A 17 17 VAL CA C 17 61.771 59.452 2.319 1
1 130 . 19 1 1 A 17 17 VAL CB C 17 33.476 34.547 -1.071 1
1 133 . 19 1 1 A 17 17 VAL N N 17 120.868 120.199 0.669 1
1 134 . 19 1 1 A 18 18 THR H H 18 9.022 8.850 0.172 1
1 135 . 19 1 1 A 18 18 THR HA H 18 4.516 4.455 0.061 1
1 140 . 19 1 1 A 18 18 THR C C 18 174.913 174.517 0.396 1
1 141 . 19 1 1 A 18 18 THR CA C 18 61.472 63.224 -1.752 1
1 142 . 19 1 1 A 18 18 THR CB C 18 68.725 70.523 -1.798 1
1 144 . 19 1 1 A 18 18 THR N N 18 117.096 121.322 -4.226 1
1 145 . 19 1 1 A 19 19 GLY H H 19 7.443 7.382 0.061 1
1 146 . 19 1 1 A 19 19 GLY HA2 H 19 4.177 4.053 0.124 1
1 147 . 19 1 1 A 19 19 GLY HA3 H 19 3.909 4.060 -0.151 1
1 148 . 19 1 1 A 19 19 GLY C C 19 170.720 172.566 -1.846 1
1 149 . 19 1 1 A 19 19 GLY CA C 19 45.877 45.628 0.249 1
1 150 . 19 1 1 A 19 19 GLY N N 19 111.594 108.426 3.168 1
1 151 . 19 1 1 A 20 20 LEU H H 20 8.400 8.476 -0.076 1
1 152 . 19 1 1 A 20 20 LEU HA H 20 4.803 4.409 0.394 1
1 162 . 19 1 1 A 20 20 LEU C C 20 175.350 176.044 -0.694 1
1 163 . 19 1 1 A 20 20 LEU CA C 20 55.557 54.368 1.189 1
1 164 . 19 1 1 A 20 20 LEU CB C 20 46.554 43.391 3.163 1
1 168 . 19 1 1 A 20 20 LEU N N 20 121.661 121.529 0.132 1
1 169 . 19 1 1 A 21 21 THR H H 21 7.720 8.572 -0.852 1
1 170 . 19 1 1 A 21 21 THR HA H 21 4.900 4.676 0.224 1
1 175 . 19 1 1 A 21 21 THR C C 21 174.986 175.072 -0.086 1
1 176 . 19 1 1 A 21 21 THR CA C 21 61.049 60.994 0.055 1
1 177 . 19 1 1 A 21 21 THR CB C 21 71.081 73.039 -1.958 1
1 179 . 19 1 1 A 21 21 THR N N 21 112.043 112.533 -0.490 1
1 180 . 19 1 1 A 22 22 THR H H 22 7.782 8.747 -0.965 1
1 181 . 19 1 1 A 22 22 THR HA H 22 4.657 4.272 0.385 1
1 186 . 19 1 1 A 22 22 THR C C 22 174.110 176.180 -2.070 1
1 187 . 19 1 1 A 22 22 THR CA C 22 63.654 65.695 -2.041 1
1 188 . 19 1 1 A 22 22 THR CB C 22 69.834 68.448 1.386 1
1 190 . 19 1 1 A 22 22 THR N N 22 110.558 119.219 -8.661 1
1 191 . 19 1 1 A 23 23 SER H H 23 7.289 7.647 -0.358 1
1 192 . 19 1 1 A 23 23 SER HA H 23 4.717 4.859 -0.142 1
1 195 . 19 1 1 A 23 23 SER C C 23 173.680 174.262 -0.582 1
1 196 . 19 1 1 A 23 23 SER CA C 23 57.212 60.477 -3.265 1
1 197 . 19 1 1 A 23 23 SER CB C 23 66.012 64.326 1.686 1
1 198 . 19 1 1 A 23 23 SER N N 23 107.116 115.577 -8.461 1
1 199 . 19 1 1 A 24 24 THR H H 24 7.174 7.649 -0.475 1
1 200 . 19 1 1 A 24 24 THR HA H 24 5.377 4.733 0.644 1
1 205 . 19 1 1 A 24 24 THR C C 24 176.427 173.481 2.946 1
1 206 . 19 1 1 A 24 24 THR CA C 24 58.656 59.923 -1.267 1
1 207 . 19 1 1 A 24 24 THR CB C 24 73.018 71.514 1.504 1
1 209 . 19 1 1 A 24 24 THR N N 24 111.053 112.180 -1.127 1
1 210 . 19 1 1 A 25 25 THR H H 25 8.180 8.453 -0.273 1
1 211 . 19 1 1 A 25 25 THR HA H 25 4.608 4.909 -0.301 1
1 216 . 19 1 1 A 25 25 THR C C 25 170.451 173.667 -3.216 1
1 217 . 19 1 1 A 25 25 THR CA C 25 63.619 61.602 2.017 1
1 218 . 19 1 1 A 25 25 THR CB C 25 75.464 71.496 3.968 1
1 220 . 19 1 1 A 25 25 THR N N 25 117.664 115.919 1.745 1
1 221 . 19 1 1 A 26 26 GLU H H 26 9.197 8.712 0.485 1
1 222 . 19 1 1 A 26 26 GLU HA H 26 4.706 4.465 0.241 1
1 227 . 19 1 1 A 26 26 GLU C C 26 174.626 175.549 -0.923 1
1 228 . 19 1 1 A 26 26 GLU CA C 26 55.751 57.159 -1.408 1
1 229 . 19 1 1 A 26 26 GLU CB C 26 30.917 30.813 0.104 1
1 231 . 19 1 1 A 26 26 GLU N N 26 130.706 126.612 4.094 1
1 232 . 19 1 1 A 27 27 LEU H H 27 9.001 8.552 0.449 1
1 233 . 19 1 1 A 27 27 LEU HA H 27 5.273 5.208 0.065 1
1 243 . 19 1 1 A 27 27 LEU C C 27 176.770 175.693 1.077 1
1 244 . 19 1 1 A 27 27 LEU CA C 27 53.165 53.675 -0.510 1
1 245 . 19 1 1 A 27 27 LEU CB C 27 47.693 47.322 0.371 1
1 249 . 19 1 1 A 27 27 LEU N N 27 124.564 120.738 3.826 1
1 250 . 19 1 1 A 28 28 ALA H H 28 8.640 8.617 0.023 1
1 251 . 19 1 1 A 28 28 ALA HA H 28 4.577 4.708 -0.131 1
1 255 . 19 1 1 A 28 28 ALA C C 28 174.523 175.289 -0.766 1
1 256 . 19 1 1 A 28 28 ALA CA C 28 51.404 51.977 -0.573 1
1 257 . 19 1 1 A 28 28 ALA CB C 28 23.304 20.644 2.660 1
1 258 . 19 1 1 A 28 28 ALA N N 28 122.531 121.707 0.824 1
1 259 . 19 1 1 A 29 29 TRP H H 29 7.581 7.925 -0.344 1
1 260 . 19 1 1 A 29 29 TRP HA H 29 4.868 5.719 -0.851 1
1 269 . 19 1 1 A 29 29 TRP C C 29 172.280 173.429 -1.149 1
1 270 . 19 1 1 A 29 29 TRP CA C 29 56.948 54.387 2.561 1
1 271 . 19 1 1 A 29 29 TRP CB C 29 29.667 32.414 -2.747 1
1 277 . 19 1 1 A 29 29 TRP N N 29 115.551 121.257 -5.706 1
1 279 . 19 1 1 A 30 30 ASP H H 30 9.276 9.467 -0.191 1
1 280 . 19 1 1 A 30 30 ASP HA H 30 5.443 5.215 0.228 1
1 283 . 19 1 1 A 30 30 ASP C C 30 173.846 174.082 -0.236 1
1 284 . 19 1 1 A 30 30 ASP CA C 30 51.562 51.261 0.301 1
1 285 . 19 1 1 A 30 30 ASP CB C 30 42.533 43.257 -0.724 1
1 286 . 19 1 1 A 30 30 ASP N N 30 117.265 118.651 -1.386 1
1 287 . 19 1 1 A 31 31 PRO HA H 31 5.105 4.906 0.199 1
1 294 . 19 1 1 A 31 31 PRO CA C 31 61.905 61.439 0.466 1
1 295 . 19 1 1 A 31 31 PRO CB C 31 29.864 31.419 -1.555 1
1 298 . 19 1 1 A 32 32 PRO HA H 32 4.580 4.507 0.073 1
1 305 . 19 1 1 A 32 32 PRO CA C 32 62.036 62.779 -0.743 1
1 306 . 19 1 1 A 32 32 PRO CB C 32 30.840 32.199 -1.359 1
1 309 . 19 1 1 A 33 33 VAL H H 33 8.755 8.059 0.696 1
1 310 . 19 1 1 A 33 33 VAL HA H 33 3.994 4.229 -0.235 1
1 318 . 19 1 1 A 33 33 VAL CA C 33 62.553 62.271 0.282 1
1 319 . 19 1 1 A 33 33 VAL CB C 33 31.763 32.564 -0.801 1
1 322 . 19 1 1 A 33 33 VAL N N 33 120.113 119.901 0.212 1
1 323 . 19 1 1 A 34 34 LEU H H 34 8.469 8.798 -0.329 1
1 324 . 19 1 1 A 34 34 LEU HA H 34 3.768 3.868 -0.100 1
1 334 . 19 1 1 A 34 34 LEU CA C 34 58.809 57.749 1.060 1
1 335 . 19 1 1 A 34 34 LEU CB C 34 42.426 41.638 0.788 1
1 339 . 19 1 1 A 34 34 LEU N N 34 125.095 124.037 1.058 1
1 340 . 19 1 1 A 35 35 ALA H H 35 8.586 8.170 0.416 1
1 341 . 19 1 1 A 35 35 ALA HA H 35 4.171 4.036 0.135 1
1 345 . 19 1 1 A 35 35 ALA CA C 35 53.957 55.544 -1.587 1
1 346 . 19 1 1 A 35 35 ALA CB C 35 19.056 18.463 0.593 1
1 347 . 19 1 1 A 35 35 ALA N N 35 119.010 122.162 -3.152 1
1 348 . 19 1 1 A 36 36 GLU H H 36 8.070 8.355 -0.285 1
1 349 . 19 1 1 A 36 36 GLU HA H 36 4.305 3.953 0.352 1
1 354 . 19 1 1 A 36 36 GLU CA C 36 55.527 59.342 -3.815 1
1 355 . 19 1 1 A 36 36 GLU CB C 36 29.845 29.380 0.465 1
1 357 . 19 1 1 A 36 36 GLU N N 36 115.604 118.640 -3.036 1
1 358 . 19 1 1 A 37 37 ARG HA H 37 3.758 4.202 -0.444 1
1 365 . 19 1 1 A 37 37 ARG CA C 37 60.050 56.582 3.468 1
1 366 . 19 1 1 A 37 37 ARG CB C 37 30.804 30.578 0.226 1
1 369 . 19 1 1 A 37 37 ARG N N 37 122.198 118.053 4.145 1
1 370 . 19 1 1 A 38 38 ASN H H 38 8.093 8.668 -0.575 1
1 371 . 19 1 1 A 38 38 ASN HA H 38 4.291 4.436 -0.145 1
1 376 . 19 1 1 A 38 38 ASN C C 38 174.619 175.751 -1.132 1
1 377 . 19 1 1 A 38 38 ASN CA C 38 53.287 55.661 -2.374 1
1 378 . 19 1 1 A 38 38 ASN CB C 38 37.482 38.865 -1.383 1
1 379 . 19 1 1 A 38 38 ASN N N 38 109.319 122.992 -13.673 1
1 381 . 19 1 1 A 39 39 GLY H H 39 7.575 7.739 -0.164 1
1 382 . 19 1 1 A 39 39 GLY HA2 H 39 4.320 4.042 0.278 1
1 383 . 19 1 1 A 39 39 GLY HA3 H 39 3.697 4.045 -0.348 1
1 384 . 19 1 1 A 39 39 GLY C C 39 172.138 172.650 -0.512 1
1 385 . 19 1 1 A 39 39 GLY CA C 39 43.766 45.540 -1.774 1
1 386 . 19 1 1 A 39 39 GLY N N 39 105.607 104.172 1.435 1
1 387 . 19 1 1 A 40 40 ARG H H 40 8.180 8.556 -0.376 1
1 388 . 19 1 1 A 40 40 ARG HA H 40 4.333 4.792 -0.459 1
1 395 . 19 1 1 A 40 40 ARG C C 40 176.395 174.866 1.529 1
1 396 . 19 1 1 A 40 40 ARG CA C 40 55.453 54.349 1.104 1
1 397 . 19 1 1 A 40 40 ARG CB C 40 30.999 32.493 -1.494 1
1 400 . 19 1 1 A 40 40 ARG N N 40 119.566 122.154 -2.588 1
1 401 . 19 1 1 A 41 41 ILE H H 41 8.991 8.932 0.059 1
1 402 . 19 1 1 A 41 41 ILE HA H 41 4.256 4.853 -0.597 1
1 412 . 19 1 1 A 41 41 ILE CA C 41 59.279 60.130 -0.851 1
1 413 . 19 1 1 A 41 41 ILE CB C 41 35.329 40.593 -5.264 1
1 417 . 19 1 1 A 41 41 ILE N N 41 127.226 121.225 6.001 1
1 418 . 19 1 1 A 42 42 ILE H H 42 8.721 8.846 -0.125 1
1 419 . 19 1 1 A 42 42 ILE HA H 42 4.475 4.537 -0.062 1
1 429 . 19 1 1 A 42 42 ILE C C 42 175.959 176.173 -0.214 1
1 430 . 19 1 1 A 42 42 ILE CA C 42 61.208 61.217 -0.009 1
1 431 . 19 1 1 A 42 42 ILE CB C 42 39.771 39.731 0.040 1
1 435 . 19 1 1 A 42 42 ILE N N 42 122.018 120.726 1.292 1
1 436 . 19 1 1 A 43 43 SER H H 43 7.425 7.702 -0.277 1
1 437 . 19 1 1 A 43 43 SER HA H 43 4.555 5.002 -0.447 1
1 440 . 19 1 1 A 43 43 SER C C 43 170.232 171.698 -1.466 1
1 441 . 19 1 1 A 43 43 SER CA C 43 58.234 57.972 0.262 1
1 442 . 19 1 1 A 43 43 SER CB C 43 64.287 66.612 -2.325 1
1 443 . 19 1 1 A 43 43 SER N N 43 113.043 116.168 -3.125 1
1 444 . 19 1 1 A 44 44 TYR H H 44 9.297 8.791 0.506 1
1 445 . 19 1 1 A 44 44 TYR HA H 44 5.741 5.712 0.029 1
1 452 . 19 1 1 A 44 44 TYR C C 44 175.735 175.121 0.614 1
1 453 . 19 1 1 A 44 44 TYR CA C 44 57.137 56.673 0.464 1
1 454 . 19 1 1 A 44 44 TYR CB C 44 42.410 43.013 -0.603 1
1 459 . 19 1 1 A 44 44 TYR N N 44 116.157 119.481 -3.324 1
1 460 . 19 1 1 A 45 45 THR H H 45 8.778 8.879 -0.101 1
1 461 . 19 1 1 A 45 45 THR HA H 45 5.094 5.151 -0.057 1
1 466 . 19 1 1 A 45 45 THR C C 45 173.026 173.551 -0.525 1
1 467 . 19 1 1 A 45 45 THR CA C 45 61.853 61.862 -0.009 1
1 468 . 19 1 1 A 45 45 THR CB C 45 71.072 70.015 1.057 1
1 470 . 19 1 1 A 45 45 THR N N 45 114.801 116.670 -1.869 1
1 471 . 19 1 1 A 46 46 VAL H H 46 9.145 8.903 0.242 1
1 472 . 19 1 1 A 46 46 VAL HA H 46 4.244 4.570 -0.326 1
1 480 . 19 1 1 A 46 46 VAL C C 46 174.278 175.257 -0.979 1
1 481 . 19 1 1 A 46 46 VAL CA C 46 61.137 61.990 -0.853 1
1 482 . 19 1 1 A 46 46 VAL CB C 46 32.999 31.174 1.825 1
1 485 . 19 1 1 A 46 46 VAL N N 46 127.180 127.818 -0.638 1
1 486 . 19 1 1 A 47 47 VAL H H 47 9.041 8.705 0.336 1
1 487 . 19 1 1 A 47 47 VAL HA H 47 5.004 4.693 0.311 1
1 495 . 19 1 1 A 47 47 VAL C C 47 175.023 175.461 -0.438 1
1 496 . 19 1 1 A 47 47 VAL CA C 47 60.996 61.115 -0.119 1
1 497 . 19 1 1 A 47 47 VAL CB C 47 33.488 32.398 1.090 1
1 500 . 19 1 1 A 47 47 VAL N N 47 128.169 128.623 -0.454 1
1 501 . 19 1 1 A 48 48 PHE H H 48 9.169 8.994 0.175 1
1 502 . 19 1 1 A 48 48 PHE HA H 48 6.209 6.111 0.098 1
1 510 . 19 1 1 A 48 48 PHE C C 48 173.210 173.573 -0.363 1
1 511 . 19 1 1 A 48 48 PHE CA C 48 54.702 55.242 -0.540 1
1 512 . 19 1 1 A 48 48 PHE CB C 48 43.316 42.605 0.711 1
1 518 . 19 1 1 A 48 48 PHE N N 48 123.753 124.490 -0.737 1
1 519 . 19 1 1 A 49 49 ARG H H 49 8.693 8.836 -0.143 1
1 520 . 19 1 1 A 49 49 ARG HA H 49 4.817 4.740 0.077 1
1 528 . 19 1 1 A 49 49 ARG C C 49 175.280 174.205 1.075 1
1 529 . 19 1 1 A 49 49 ARG CA C 49 54.801 54.998 -0.197 1
1 530 . 19 1 1 A 49 49 ARG CB C 49 35.242 33.920 1.322 1
1 533 . 19 1 1 A 49 49 ARG N N 49 118.793 121.194 -2.401 1
1 535 . 19 1 1 A 50 50 ASP H H 50 8.820 8.774 0.046 1
1 536 . 19 1 1 A 50 50 ASP HA H 50 4.029 4.369 -0.340 1
1 539 . 19 1 1 A 50 50 ASP C C 50 178.592 177.282 1.310 1
1 540 . 19 1 1 A 50 50 ASP CA C 50 53.498 53.983 -0.485 1
1 541 . 19 1 1 A 50 50 ASP CB C 50 40.543 41.176 -0.633 1
1 542 . 19 1 1 A 50 50 ASP N N 50 128.720 125.644 3.076 1
1 543 . 19 1 1 A 51 51 ILE H H 51 8.315 8.390 -0.075 1
1 544 . 19 1 1 A 51 51 ILE HA H 51 3.892 3.841 0.051 1
1 554 . 19 1 1 A 51 51 ILE C C 51 176.905 176.396 0.509 1
1 555 . 19 1 1 A 51 51 ILE CA C 51 64.569 63.193 1.376 1
1 556 . 19 1 1 A 51 51 ILE CB C 51 38.126 37.942 0.184 1
1 560 . 19 1 1 A 51 51 ILE N N 51 124.642 122.652 1.990 1
1 561 . 19 1 1 A 52 52 ASN H H 52 8.677 8.125 0.552 1
1 562 . 19 1 1 A 52 52 ASN HA H 52 4.760 4.765 -0.005 1
1 567 . 19 1 1 A 52 52 ASN C C 52 174.645 174.652 -0.007 1
1 568 . 19 1 1 A 52 52 ASN CA C 52 53.851 53.371 0.480 1
1 569 . 19 1 1 A 52 52 ASN CB C 52 39.032 39.486 -0.454 1
1 570 . 19 1 1 A 52 52 ASN N N 52 119.201 119.004 0.197 1
1 572 . 19 1 1 A 53 53 SER H H 53 8.409 8.247 0.162 1
1 573 . 19 1 1 A 53 53 SER HA H 53 4.663 4.928 -0.265 1
1 576 . 19 1 1 A 53 53 SER C C 53 173.861 173.694 0.167 1
1 577 . 19 1 1 A 53 53 SER CA C 53 56.702 57.666 -0.964 1
1 578 . 19 1 1 A 53 53 SER CB C 53 65.730 66.935 -1.205 1
1 579 . 19 1 1 A 53 53 SER N N 53 116.494 115.247 1.247 1
1 580 . 19 1 1 A 54 54 GLN H H 54 8.489 8.587 -0.098 1
1 581 . 19 1 1 A 54 54 GLN HA H 54 4.329 4.504 -0.175 1
1 588 . 19 1 1 A 54 54 GLN C C 54 175.789 175.594 0.195 1
1 589 . 19 1 1 A 54 54 GLN CA C 54 55.857 55.970 -0.113 1
1 590 . 19 1 1 A 54 54 GLN CB C 54 28.847 29.059 -0.212 1
1 592 . 19 1 1 A 54 54 GLN N N 54 119.700 120.682 -0.982 1
1 594 . 19 1 1 A 55 55 GLN H H 55 8.108 7.688 0.420 1
1 595 . 19 1 1 A 55 55 GLN HA H 55 4.269 4.520 -0.251 1
1 602 . 19 1 1 A 55 55 GLN C C 55 174.076 174.591 -0.515 1
1 603 . 19 1 1 A 55 55 GLN CA C 55 55.689 55.360 0.329 1
1 604 . 19 1 1 A 55 55 GLN CB C 55 29.352 29.509 -0.157 1
1 606 . 19 1 1 A 55 55 GLN N N 55 120.355 121.638 -1.283 1
1 608 . 19 1 1 A 56 56 GLU H H 56 8.603 8.939 -0.336 1
1 609 . 19 1 1 A 56 56 GLU HA H 56 4.372 4.987 -0.615 1
1 614 . 19 1 1 A 56 56 GLU C C 56 175.058 175.033 0.025 1
1 615 . 19 1 1 A 56 56 GLU CA C 56 55.594 55.108 0.486 1
1 616 . 19 1 1 A 56 56 GLU CB C 56 31.640 32.725 -1.085 1
1 618 . 19 1 1 A 56 56 GLU N N 56 126.250 128.147 -1.897 1
1 619 . 19 1 1 A 57 57 LEU H H 57 8.520 8.439 0.081 1
1 620 . 19 1 1 A 57 57 LEU HA H 57 4.458 4.710 -0.252 1
1 630 . 19 1 1 A 57 57 LEU C C 57 174.850 174.899 -0.049 1
1 631 . 19 1 1 A 57 57 LEU CA C 57 53.780 53.231 0.549 1
1 632 . 19 1 1 A 57 57 LEU CB C 57 43.903 46.236 -2.333 1
1 636 . 19 1 1 A 57 57 LEU N N 57 127.205 125.769 1.436 1
1 637 . 19 1 1 A 58 58 GLN H H 58 7.992 8.492 -0.500 1
1 638 . 19 1 1 A 58 58 GLN HA H 58 5.865 5.380 0.485 1
1 645 . 19 1 1 A 58 58 GLN C C 58 175.948 174.618 1.330 1
1 646 . 19 1 1 A 58 58 GLN CA C 58 53.944 54.345 -0.401 1
1 647 . 19 1 1 A 58 58 GLN CB C 58 32.786 33.393 -0.607 1
1 649 . 19 1 1 A 58 58 GLN N N 58 113.562 119.441 -5.879 1
1 651 . 19 1 1 A 59 59 ASN H H 59 9.073 8.850 0.223 1
1 652 . 19 1 1 A 59 59 ASN HA H 59 5.068 5.492 -0.424 1
1 657 . 19 1 1 A 59 59 ASN C C 59 172.790 174.168 -1.378 1
1 658 . 19 1 1 A 59 59 ASN CA C 59 53.023 51.660 1.363 1
1 659 . 19 1 1 A 59 59 ASN CB C 59 45.541 42.887 2.654 1
1 660 . 19 1 1 A 59 59 ASN N N 59 119.984 117.527 2.457 1
1 662 . 19 1 1 A 60 60 ILE H H 60 8.491 8.484 0.007 1
1 663 . 19 1 1 A 60 60 ILE HA H 60 5.147 5.037 0.110 1
1 673 . 19 1 1 A 60 60 ILE C C 60 175.088 174.447 0.641 1
1 674 . 19 1 1 A 60 60 ILE CA C 60 59.853 60.050 -0.197 1
1 675 . 19 1 1 A 60 60 ILE CB C 60 40.891 41.918 -1.027 1
1 679 . 19 1 1 A 60 60 ILE N N 60 119.480 120.456 -0.976 1
1 680 . 19 1 1 A 61 61 THR H H 61 8.755 8.307 0.448 1
1 681 . 19 1 1 A 61 61 THR HA H 61 4.976 5.120 -0.144 1
1 686 . 19 1 1 A 61 61 THR C C 61 172.097 174.834 -2.737 1
1 687 . 19 1 1 A 61 61 THR CA C 61 59.905 60.625 -0.720 1
1 688 . 19 1 1 A 61 61 THR CB C 61 69.505 72.247 -2.742 1
1 690 . 19 1 1 A 61 61 THR N N 61 118.083 118.521 -0.438 1
1 691 . 19 1 1 A 62 62 THR H H 62 8.325 8.676 -0.351 1
1 692 . 19 1 1 A 62 62 THR HA H 62 4.641 4.233 0.408 1
1 697 . 19 1 1 A 62 62 THR C C 62 174.386 174.815 -0.429 1
1 698 . 19 1 1 A 62 62 THR CA C 62 62.440 64.346 -1.906 1
1 699 . 19 1 1 A 62 62 THR CB C 62 69.355 68.555 0.800 1
1 701 . 19 1 1 A 62 62 THR N N 62 115.077 119.819 -4.742 1
1 702 . 19 1 1 A 63 63 ASP H H 63 8.611 7.752 0.859 1
1 703 . 19 1 1 A 63 63 ASP HA H 63 4.962 4.902 0.060 1
1 706 . 19 1 1 A 63 63 ASP C C 63 172.906 176.620 -3.714 1
1 707 . 19 1 1 A 63 63 ASP CA C 63 52.981 52.867 0.114 1
1 708 . 19 1 1 A 63 63 ASP CB C 63 43.465 41.752 1.713 1
1 709 . 19 1 1 A 63 63 ASP N N 63 125.713 122.288 3.425 1
1 710 . 19 1 1 A 64 64 THR H H 64 7.925 8.308 -0.383 1
1 711 . 19 1 1 A 64 64 THR HA H 64 3.088 3.822 -0.734 1
1 716 . 19 1 1 A 64 64 THR C C 64 172.176 171.970 0.206 1
1 717 . 19 1 1 A 64 64 THR CA C 64 59.078 61.374 -2.296 1
1 718 . 19 1 1 A 64 64 THR CB C 64 66.137 68.237 -2.100 1
1 720 . 19 1 1 A 64 64 THR N N 64 104.287 112.834 -8.547 1
1 721 . 19 1 1 A 65 65 ARG H H 65 6.387 7.437 -1.050 1
1 722 . 19 1 1 A 65 65 ARG HA H 65 4.221 3.955 0.266 1
1 729 . 19 1 1 A 65 65 ARG C C 65 174.862 174.170 0.692 1
1 730 . 19 1 1 A 65 65 ARG CA C 65 54.132 53.644 0.488 1
1 731 . 19 1 1 A 65 65 ARG CB C 65 32.928 33.791 -0.863 1
1 734 . 19 1 1 A 65 65 ARG N N 65 115.062 119.048 -3.986 1
1 735 . 19 1 1 A 66 66 PHE H H 66 8.177 8.892 -0.715 1
1 736 . 19 1 1 A 66 66 PHE HA H 66 4.373 4.982 -0.609 1
1 744 . 19 1 1 A 66 66 PHE C C 66 172.804 173.292 -0.488 1
1 745 . 19 1 1 A 66 66 PHE CA C 66 59.536 58.108 1.428 1
1 746 . 19 1 1 A 66 66 PHE CB C 66 44.469 41.809 2.660 1
1 752 . 19 1 1 A 66 66 PHE N N 66 119.991 120.405 -0.414 1
1 753 . 19 1 1 A 67 67 THR H H 67 7.332 7.300 0.032 1
1 754 . 19 1 1 A 67 67 THR HA H 67 4.628 5.276 -0.648 1
1 759 . 19 1 1 A 67 67 THR C C 67 172.910 173.808 -0.898 1
1 760 . 19 1 1 A 67 67 THR CA C 67 61.261 61.338 -0.077 1
1 761 . 19 1 1 A 67 67 THR CB C 67 69.260 71.316 -2.056 1
1 763 . 19 1 1 A 67 67 THR N N 67 123.294 116.722 6.572 1
1 764 . 19 1 1 A 68 68 LEU H H 68 8.776 9.215 -0.439 1
1 765 . 19 1 1 A 68 68 LEU HA H 68 4.192 4.267 -0.075 1
1 775 . 19 1 1 A 68 68 LEU C C 68 176.337 175.901 0.436 1
1 776 . 19 1 1 A 68 68 LEU CA C 68 54.394 54.736 -0.342 1
1 777 . 19 1 1 A 68 68 LEU CB C 68 42.394 42.298 0.096 1
1 781 . 19 1 1 A 68 68 LEU N N 68 126.969 128.036 -1.067 1
1 782 . 19 1 1 A 69 69 THR H H 69 7.921 8.257 -0.336 1
1 783 . 19 1 1 A 69 69 THR HA H 69 4.814 4.659 0.155 1
1 788 . 19 1 1 A 69 69 THR C C 69 173.856 173.587 0.269 1
1 789 . 19 1 1 A 69 69 THR CA C 69 59.694 60.590 -0.896 1
1 790 . 19 1 1 A 69 69 THR CB C 69 71.829 71.533 0.296 1
1 792 . 19 1 1 A 69 69 THR N N 69 111.246 111.427 -0.181 1
1 793 . 19 1 1 A 70 70 GLY H H 70 8.894 8.661 0.233 1
1 794 . 19 1 1 A 70 70 GLY HA2 H 70 3.930 3.842 0.088 1
1 795 . 19 1 1 A 70 70 GLY HA3 H 70 3.809 3.866 -0.057 1
1 796 . 19 1 1 A 70 70 GLY C C 70 175.589 174.721 0.868 1
1 797 . 19 1 1 A 70 70 GLY CA C 70 46.178 46.664 -0.486 1
1 798 . 19 1 1 A 70 70 GLY N N 70 107.415 112.511 -5.096 1
1 799 . 19 1 1 A 71 71 LEU H H 71 8.341 8.014 0.327 1
1 800 . 19 1 1 A 71 71 LEU HA H 71 4.195 4.675 -0.480 1
1 810 . 19 1 1 A 71 71 LEU C C 71 175.422 175.795 -0.373 1
1 811 . 19 1 1 A 71 71 LEU CA C 71 53.429 53.564 -0.135 1
1 812 . 19 1 1 A 71 71 LEU CB C 71 40.650 43.069 -2.419 1
1 816 . 19 1 1 A 71 71 LEU N N 71 118.621 121.033 -2.412 1
1 817 . 19 1 1 A 72 72 LYS H H 72 8.298 9.261 -0.963 1
1 818 . 19 1 1 A 72 72 LYS HA H 72 4.631 4.549 0.082 1
1 827 . 19 1 1 A 72 72 LYS C C 72 174.599 175.540 -0.941 1
1 828 . 19 1 1 A 72 72 LYS CA C 72 53.851 54.094 -0.243 1
1 829 . 19 1 1 A 72 72 LYS CB C 72 33.619 33.555 0.064 1
1 833 . 19 1 1 A 72 72 LYS N N 72 121.340 122.064 -0.724 1
1 834 . 19 1 1 A 73 73 PRO HA H 73 5.086 4.713 0.373 1
1 841 . 19 1 1 A 73 73 PRO C C 73 178.198 177.244 0.954 1
1 842 . 19 1 1 A 73 73 PRO CA C 73 62.897 63.528 -0.631 1
1 843 . 19 1 1 A 73 73 PRO CB C 73 33.198 32.106 1.092 1
1 846 . 19 1 1 A 74 74 ASP H H 74 7.537 8.639 -1.102 1
1 847 . 19 1 1 A 74 74 ASP HA H 74 4.290 4.278 0.012 1
1 850 . 19 1 1 A 74 74 ASP C C 74 174.390 174.722 -0.332 1
1 851 . 19 1 1 A 74 74 ASP CA C 74 54.343 55.128 -0.785 1
1 852 . 19 1 1 A 74 74 ASP CB C 74 41.393 39.746 1.647 1
1 853 . 19 1 1 A 74 74 ASP N N 74 126.834 121.659 5.175 1
1 854 . 19 1 1 A 75 75 THR H H 75 8.197 7.236 0.961 1
1 855 . 19 1 1 A 75 75 THR HA H 75 4.316 4.885 -0.569 1
1 860 . 19 1 1 A 75 75 THR C C 75 172.076 173.502 -1.426 1
1 861 . 19 1 1 A 75 75 THR CA C 75 63.087 61.288 1.799 1
1 862 . 19 1 1 A 75 75 THR CB C 75 71.822 72.505 -0.683 1
1 864 . 19 1 1 A 75 75 THR N N 75 113.905 112.331 1.574 1
1 865 . 19 1 1 A 76 76 THR H H 76 8.606 8.845 -0.239 1
1 866 . 19 1 1 A 76 76 THR HA H 76 4.641 4.464 0.177 1
1 871 . 19 1 1 A 76 76 THR C C 76 172.308 174.059 -1.751 1
1 872 . 19 1 1 A 76 76 THR CA C 76 63.197 63.374 -0.177 1
1 873 . 19 1 1 A 76 76 THR CB C 76 68.333 69.159 -0.826 1
1 875 . 19 1 1 A 76 76 THR N N 76 124.170 121.424 2.746 1
1 876 . 19 1 1 A 77 77 TYR H H 77 9.230 8.951 0.279 1
1 877 . 19 1 1 A 77 77 TYR HA H 77 5.084 5.054 0.030 1
1 884 . 19 1 1 A 77 77 TYR C C 77 174.065 174.418 -0.353 1
1 885 . 19 1 1 A 77 77 TYR CA C 77 57.443 56.303 1.140 1
1 886 . 19 1 1 A 77 77 TYR CB C 77 41.115 40.160 0.955 1
1 891 . 19 1 1 A 77 77 TYR N N 77 125.729 126.394 -0.665 1
1 892 . 19 1 1 A 78 78 ASP H H 78 9.222 9.223 -0.001 1
1 893 . 19 1 1 A 78 78 ASP HA H 78 5.288 4.791 0.497 1
1 896 . 19 1 1 A 78 78 ASP C C 78 176.268 174.797 1.471 1
1 897 . 19 1 1 A 78 78 ASP CA C 78 53.565 54.120 -0.555 1
1 898 . 19 1 1 A 78 78 ASP CB C 78 44.874 40.718 4.156 1
1 899 . 19 1 1 A 78 78 ASP N N 78 124.016 125.455 -1.439 1
1 900 . 19 1 1 A 79 79 ILE H H 79 9.210 8.630 0.580 1
1 901 . 19 1 1 A 79 79 ILE HA H 79 5.027 5.322 -0.295 1
1 911 . 19 1 1 A 79 79 ILE C C 79 172.968 174.801 -1.833 1
1 912 . 19 1 1 A 79 79 ILE CA C 79 61.102 59.957 1.145 1
1 913 . 19 1 1 A 79 79 ILE CB C 79 41.830 40.044 1.786 1
1 917 . 19 1 1 A 79 79 ILE N N 79 127.527 127.411 0.116 1
1 918 . 19 1 1 A 80 80 LYS H H 80 8.930 9.321 -0.391 1
1 919 . 19 1 1 A 80 80 LYS HA H 80 4.282 5.150 -0.868 1
1 928 . 19 1 1 A 80 80 LYS C C 80 173.716 174.311 -0.595 1
1 929 . 19 1 1 A 80 80 LYS CA C 80 54.749 54.061 0.688 1
1 930 . 19 1 1 A 80 80 LYS CB C 80 37.864 36.796 1.068 1
1 934 . 19 1 1 A 80 80 LYS N N 80 122.620 124.648 -2.028 1
1 935 . 19 1 1 A 81 81 VAL H H 81 8.070 8.813 -0.743 1
1 936 . 19 1 1 A 81 81 VAL HA H 81 5.365 4.927 0.438 1
1 944 . 19 1 1 A 81 81 VAL C C 81 174.099 173.640 0.459 1
1 945 . 19 1 1 A 81 81 VAL CA C 81 59.228 59.448 -0.220 1
1 946 . 19 1 1 A 81 81 VAL CB C 81 36.108 35.019 1.089 1
1 949 . 19 1 1 A 81 81 VAL N N 81 115.045 119.221 -4.176 1
1 950 . 19 1 1 A 82 82 ARG H H 82 8.733 8.878 -0.145 1
1 951 . 19 1 1 A 82 82 ARG HA H 82 4.984 5.115 -0.131 1
1 959 . 19 1 1 A 82 82 ARG C C 82 172.874 174.600 -1.726 1
1 960 . 19 1 1 A 82 82 ARG CA C 82 53.552 54.928 -1.376 1
1 961 . 19 1 1 A 82 82 ARG CB C 82 34.521 34.042 0.479 1
1 964 . 19 1 1 A 82 82 ARG N N 82 122.032 122.532 -0.500 1
1 966 . 19 1 1 A 83 83 ALA H H 83 9.221 8.629 0.592 1
1 967 . 19 1 1 A 83 83 ALA HA H 83 5.132 3.910 1.222 1
1 971 . 19 1 1 A 83 83 ALA C C 83 174.998 176.831 -1.833 1
1 972 . 19 1 1 A 83 83 ALA CA C 83 50.383 51.815 -1.432 1
1 973 . 19 1 1 A 83 83 ALA CB C 83 23.472 19.705 3.767 1
1 974 . 19 1 1 A 83 83 ALA N N 83 124.044 125.666 -1.622 1
1 975 . 19 1 1 A 84 84 TRP H H 84 8.387 8.702 -0.315 1
1 976 . 19 1 1 A 84 84 TRP HA H 84 5.020 5.322 -0.302 1
1 985 . 19 1 1 A 84 84 TRP C C 84 177.430 175.392 2.038 1
1 986 . 19 1 1 A 84 84 TRP CA C 84 56.807 56.145 0.662 1
1 987 . 19 1 1 A 84 84 TRP CB C 84 31.235 32.760 -1.525 1
1 993 . 19 1 1 A 84 84 TRP N N 84 117.779 120.369 -2.590 1
1 995 . 19 1 1 A 85 85 THR H H 85 8.698 8.811 -0.113 1
1 996 . 19 1 1 A 85 85 THR HA H 85 5.190 5.143 0.047 1
1 1001 . 19 1 1 A 85 85 THR C C 85 176.429 175.490 0.939 1
1 1002 . 19 1 1 A 85 85 THR CA C 85 59.958 59.814 0.144 1
1 1003 . 19 1 1 A 85 85 THR CB C 85 72.646 71.837 0.809 1
1 1005 . 19 1 1 A 85 85 THR N N 85 111.404 113.483 -2.079 1
1 1006 . 19 1 1 A 86 86 SER H H 86 9.765 9.243 0.522 1
1 1007 . 19 1 1 A 86 86 SER HA H 86 4.242 4.188 0.054 1
1 1010 . 19 1 1 A 86 86 SER C C 86 174.834 176.408 -1.574 1
1 1011 . 19 1 1 A 86 86 SER CA C 86 61.014 61.196 -0.182 1
1 1012 . 19 1 1 A 86 86 SER CB C 86 62.807 62.737 0.070 1
1 1013 . 19 1 1 A 86 86 SER N N 86 115.745 118.146 -2.401 1
1 1014 . 19 1 1 A 87 87 LYS H H 87 7.947 7.895 0.052 1
1 1015 . 19 1 1 A 87 87 LYS HA H 87 4.426 4.263 0.163 1
1 1024 . 19 1 1 A 87 87 LYS C C 87 176.373 177.157 -0.784 1
1 1025 . 19 1 1 A 87 87 LYS CA C 87 55.857 58.731 -2.874 1
1 1026 . 19 1 1 A 87 87 LYS CB C 87 33.386 33.016 0.370 1
1 1030 . 19 1 1 A 87 87 LYS N N 87 118.254 119.029 -0.775 1
1 1031 . 19 1 1 A 88 88 GLY H H 88 7.400 7.006 0.394 1
1 1032 . 19 1 1 A 88 88 GLY HA2 H 88 4.446 4.104 0.342 1
1 1033 . 19 1 1 A 88 88 GLY HA3 H 88 3.990 4.246 -0.256 1
1 1034 . 19 1 1 A 88 88 GLY C C 88 171.366 172.016 -0.650 1
1 1035 . 19 1 1 A 88 88 GLY CA C 88 45.006 46.201 -1.195 1
1 1036 . 19 1 1 A 88 88 GLY N N 88 106.086 104.176 1.910 1
1 1037 . 19 1 1 A 89 89 SER H H 89 8.048 8.502 -0.454 1
1 1038 . 19 1 1 A 89 89 SER HA H 89 3.899 4.649 -0.750 1
1 1041 . 19 1 1 A 89 89 SER CA C 89 56.522 55.705 0.817 1
1 1042 . 19 1 1 A 89 89 SER CB C 89 63.965 65.400 -1.435 1
1 1043 . 19 1 1 A 89 89 SER N N 89 113.549 116.329 -2.780 1
1 1044 . 19 1 1 A 90 90 GLY H H 90 8.282 7.986 0.296 1
1 1045 . 19 1 1 A 90 90 GLY HA2 H 90 4.637 4.005 0.632 1
1 1046 . 19 1 1 A 90 90 GLY HA3 H 90 3.696 4.018 -0.322 1
1 1047 . 19 1 1 A 90 90 GLY CA C 90 44.399 43.997 0.402 1
1 1048 . 19 1 1 A 90 90 GLY N N 90 109.030 106.767 2.263 1
1 1049 . 19 1 1 A 91 91 PRO HA H 91 4.448 4.547 -0.099 1
1 1056 . 19 1 1 A 91 91 PRO C C 91 177.760 175.073 2.687 1
1 1057 . 19 1 1 A 91 91 PRO CA C 91 62.229 62.477 -0.248 1
1 1058 . 19 1 1 A 91 91 PRO CB C 91 32.367 33.370 -1.003 1
1 1061 . 19 1 1 A 92 92 LEU H H 92 8.373 8.357 0.016 1
1 1062 . 19 1 1 A 92 92 LEU HA H 92 4.110 4.655 -0.545 1
1 1072 . 19 1 1 A 92 92 LEU C C 92 176.841 176.356 0.485 1
1 1073 . 19 1 1 A 92 92 LEU CA C 92 55.163 53.661 1.502 1
1 1074 . 19 1 1 A 92 92 LEU CB C 92 43.188 43.324 -0.136 1
1 1078 . 19 1 1 A 92 92 LEU N N 92 121.096 122.207 -1.111 1
1 1079 . 19 1 1 A 93 93 SER H H 93 8.629 9.137 -0.508 1
1 1080 . 19 1 1 A 93 93 SER HA H 93 3.683 4.160 -0.477 1
1 1083 . 19 1 1 A 93 93 SER C C 93 171.637 173.718 -2.081 1
1 1084 . 19 1 1 A 93 93 SER CA C 93 56.900 56.898 0.002 1
1 1085 . 19 1 1 A 93 93 SER CB C 93 62.923 62.846 0.077 1
1 1086 . 19 1 1 A 93 93 SER N N 93 116.072 121.325 -5.253 1
1 1087 . 19 1 1 A 94 94 PRO HA H 94 4.330 4.461 -0.131 1
1 1094 . 19 1 1 A 94 94 PRO C C 94 178.093 177.157 0.936 1
1 1095 . 19 1 1 A 94 94 PRO CA C 94 63.309 62.566 0.743 1
1 1096 . 19 1 1 A 94 94 PRO CB C 94 31.463 31.737 -0.274 1
1 1099 . 19 1 1 A 95 95 SER H H 95 8.722 8.320 0.402 1
1 1100 . 19 1 1 A 95 95 SER HA H 95 4.923 4.868 0.055 1
1 1103 . 19 1 1 A 95 95 SER C C 95 176.215 175.336 0.879 1
1 1104 . 19 1 1 A 95 95 SER CA C 95 58.955 58.106 0.849 1
1 1105 . 19 1 1 A 95 95 SER CB C 95 64.884 64.217 0.667 1
1 1106 . 19 1 1 A 95 95 SER N N 95 122.184 115.015 7.169 1
1 1107 . 19 1 1 A 96 96 ILE H H 96 8.915 8.464 0.451 1
1 1108 . 19 1 1 A 96 96 ILE HA H 96 4.609 4.492 0.117 1
1 1118 . 19 1 1 A 96 96 ILE C C 96 174.546 176.317 -1.771 1
1 1119 . 19 1 1 A 96 96 ILE CA C 96 59.782 61.134 -1.352 1
1 1120 . 19 1 1 A 96 96 ILE CB C 96 40.995 39.850 1.145 1
1 1124 . 19 1 1 A 96 96 ILE N N 96 115.463 119.693 -4.230 1
1 1125 . 19 1 1 A 97 97 GLN H H 97 8.292 7.842 0.450 1
1 1126 . 19 1 1 A 97 97 GLN HA H 97 5.849 4.328 1.521 1
1 1133 . 19 1 1 A 97 97 GLN C C 97 176.173 174.654 1.519 1
1 1134 . 19 1 1 A 97 97 GLN CA C 97 54.361 56.905 -2.544 1
1 1135 . 19 1 1 A 97 97 GLN CB C 97 31.102 26.508 4.594 1
1 1137 . 19 1 1 A 97 97 GLN N N 97 117.686 117.753 -0.067 1
1 1139 . 19 1 1 A 98 98 SER H H 98 8.751 7.858 0.893 1
1 1140 . 19 1 1 A 98 98 SER HA H 98 4.618 4.473 0.145 1
1 1143 . 19 1 1 A 98 98 SER C C 98 172.310 173.482 -1.172 1
1 1144 . 19 1 1 A 98 98 SER CA C 98 57.019 58.413 -1.394 1
1 1145 . 19 1 1 A 98 98 SER CB C 98 64.588 63.571 1.017 1
1 1146 . 19 1 1 A 98 98 SER N N 98 115.969 113.200 2.769 1
1 1147 . 19 1 1 A 99 99 ARG H H 99 8.519 8.801 -0.282 1
1 1148 . 19 1 1 A 99 99 ARG HA H 99 5.627 4.998 0.629 1
1 1156 . 19 1 1 A 99 99 ARG C C 99 176.394 175.935 0.459 1
1 1157 . 19 1 1 A 99 99 ARG CA C 99 53.705 55.902 -2.197 1
1 1158 . 19 1 1 A 99 99 ARG CB C 99 32.853 31.078 1.775 1
1 1161 . 19 1 1 A 99 99 ARG N N 99 132.343 129.522 2.821 1
1 1163 . 19 1 1 A 100 100 THR H H 100 8.808 8.295 0.513 1
1 1164 . 19 1 1 A 100 100 THR HA H 100 4.182 4.285 -0.103 1
1 1169 . 19 1 1 A 100 100 THR C C 100 175.465 174.495 0.970 1
1 1170 . 19 1 1 A 100 100 THR CA C 100 61.701 62.611 -0.910 1
1 1171 . 19 1 1 A 100 100 THR CB C 100 69.515 69.897 -0.382 1
1 1173 . 19 1 1 A 100 100 THR N N 100 116.147 118.281 -2.134 1
1 1174 . 19 1 1 A 101 101 MET H H 101 7.254 8.508 -1.254 1
1 1175 . 19 1 1 A 101 101 MET HA H 101 4.504 4.667 -0.163 1
1 1183 . 19 1 1 A 101 101 MET C C 101 174.574 175.318 -0.744 1
1 1184 . 19 1 1 A 101 101 MET CA C 101 54.324 54.035 0.289 1
1 1185 . 19 1 1 A 101 101 MET CB C 101 32.235 32.452 -0.217 1
1 1188 . 19 1 1 A 101 101 MET N N 101 117.475 121.513 -4.038 1
1 1189 . 19 1 1 A 102 102 PRO HA H 102 4.647 4.717 -0.070 1
1 1196 . 19 1 1 A 102 102 PRO CA C 102 62.553 62.459 0.094 1
1 1197 . 19 1 1 A 102 102 PRO CB C 102 32.011 30.911 1.100 1
1 1 . 20 1 1 A 6 6 SER HA H 6 4.535 5.163 -0.628 1
1 4 . 20 1 1 A 6 6 SER CA C 6 58.104 56.248 1.856 1
1 5 . 20 1 1 A 6 6 SER CB C 6 64.201 65.591 -1.390 1
1 6 . 20 1 1 A 7 7 GLY H H 7 7.998 8.423 -0.425 1
1 7 . 20 1 1 A 7 7 GLY HA2 H 7 3.978 4.021 -0.043 1
1 8 . 20 1 1 A 7 7 GLY HA3 H 7 3.515 4.064 -0.549 1
1 9 . 20 1 1 A 7 7 GLY CA C 7 44.050 44.346 -0.296 1
1 10 . 20 1 1 A 7 7 GLY N N 7 108.741 107.706 1.035 1
1 11 . 20 1 1 A 8 8 PRO HA H 8 4.324 4.668 -0.344 1
1 18 . 20 1 1 A 8 8 PRO CA C 8 63.624 62.598 1.026 1
1 19 . 20 1 1 A 8 8 PRO CB C 8 32.235 32.916 -0.681 1
1 22 . 20 1 1 A 9 9 SER H H 9 8.323 8.636 -0.313 1
1 23 . 20 1 1 A 9 9 SER HA H 9 4.512 4.698 -0.186 1
1 26 . 20 1 1 A 9 9 SER C C 9 174.410 173.626 0.784 1
1 27 . 20 1 1 A 9 9 SER CA C 9 57.701 57.230 0.471 1
1 28 . 20 1 1 A 9 9 SER CB C 9 63.909 64.000 -0.091 1
1 29 . 20 1 1 A 9 9 SER N N 9 115.299 116.802 -1.503 1
1 30 . 20 1 1 A 10 10 GLY H H 10 7.439 7.621 -0.182 1
1 31 . 20 1 1 A 10 10 GLY HA2 H 10 4.383 4.026 0.357 1
1 32 . 20 1 1 A 10 10 GLY HA3 H 10 3.951 4.057 -0.106 1
1 33 . 20 1 1 A 10 10 GLY C C 10 172.743 173.003 -0.260 1
1 34 . 20 1 1 A 10 10 GLY CA C 10 43.924 44.915 -0.991 1
1 35 . 20 1 1 A 10 10 GLY N N 10 107.797 109.435 -1.638 1
1 36 . 20 1 1 A 11 11 PHE H H 11 7.534 8.650 -1.116 1
1 37 . 20 1 1 A 11 11 PHE HA H 11 5.519 5.035 0.484 1
1 44 . 20 1 1 A 11 11 PHE C C 11 173.822 174.827 -1.005 1
1 45 . 20 1 1 A 11 11 PHE CA C 11 52.513 55.403 -2.890 1
1 46 . 20 1 1 A 11 11 PHE CB C 11 38.744 38.813 -0.069 1
1 51 . 20 1 1 A 11 11 PHE N N 11 115.246 122.664 -7.418 1
1 52 . 20 1 1 A 12 12 PRO HA H 12 4.285 4.729 -0.444 1
1 59 . 20 1 1 A 12 12 PRO C C 12 175.173 175.374 -0.201 1
1 60 . 20 1 1 A 12 12 PRO CA C 12 63.707 62.542 1.165 1
1 61 . 20 1 1 A 12 12 PRO CB C 12 32.344 33.355 -1.011 1
1 64 . 20 1 1 A 13 13 GLN H H 13 7.469 8.262 -0.793 1
1 65 . 20 1 1 A 13 13 GLN HA H 13 4.511 4.924 -0.413 1
1 72 . 20 1 1 A 13 13 GLN C C 13 175.349 175.167 0.182 1
1 73 . 20 1 1 A 13 13 GLN CA C 13 54.572 54.473 0.099 1
1 74 . 20 1 1 A 13 13 GLN CB C 13 32.848 31.925 0.923 1
1 76 . 20 1 1 A 13 13 GLN N N 13 120.555 118.613 1.942 1
1 78 . 20 1 1 A 14 14 ASN H H 14 8.978 8.894 0.084 1
1 79 . 20 1 1 A 14 14 ASN HA H 14 4.424 4.487 -0.063 1
1 84 . 20 1 1 A 14 14 ASN C C 14 174.770 173.955 0.815 1
1 85 . 20 1 1 A 14 14 ASN CA C 14 54.079 54.224 -0.145 1
1 86 . 20 1 1 A 14 14 ASN CB C 14 37.343 36.937 0.406 1
1 87 . 20 1 1 A 14 14 ASN N N 14 114.024 116.042 -2.018 1
1 89 . 20 1 1 A 15 15 LEU H H 15 8.437 8.008 0.429 1
1 90 . 20 1 1 A 15 15 LEU HA H 15 5.062 4.593 0.469 1
1 100 . 20 1 1 A 15 15 LEU C C 15 177.001 175.628 1.373 1
1 101 . 20 1 1 A 15 15 LEU CA C 15 56.667 55.343 1.324 1
1 102 . 20 1 1 A 15 15 LEU CB C 15 41.720 42.771 -1.051 1
1 106 . 20 1 1 A 15 15 LEU N N 15 121.843 121.681 0.162 1
1 107 . 20 1 1 A 16 16 HIS H H 16 9.492 8.319 1.173 1
1 108 . 20 1 1 A 16 16 HIS HA H 16 4.987 5.218 -0.231 1
1 113 . 20 1 1 A 16 16 HIS C C 16 171.333 171.647 -0.314 1
1 114 . 20 1 1 A 16 16 HIS CA C 16 55.153 54.778 0.375 1
1 115 . 20 1 1 A 16 16 HIS CB C 16 30.515 31.687 -1.172 1
1 118 . 20 1 1 A 16 16 HIS N N 16 121.636 121.083 0.553 1
1 119 . 20 1 1 A 17 17 VAL H H 17 8.606 8.696 -0.090 1
1 120 . 20 1 1 A 17 17 VAL HA H 17 4.663 4.394 0.269 1
1 128 . 20 1 1 A 17 17 VAL C C 17 177.740 175.996 1.744 1
1 129 . 20 1 1 A 17 17 VAL CA C 17 61.771 61.633 0.138 1
1 130 . 20 1 1 A 17 17 VAL CB C 17 33.476 33.697 -0.221 1
1 133 . 20 1 1 A 17 17 VAL N N 17 120.868 119.425 1.443 1
1 134 . 20 1 1 A 18 18 THR H H 18 9.022 8.821 0.201 1
1 135 . 20 1 1 A 18 18 THR HA H 18 4.516 4.413 0.103 1
1 140 . 20 1 1 A 18 18 THR C C 18 174.913 174.680 0.233 1
1 141 . 20 1 1 A 18 18 THR CA C 18 61.472 63.539 -2.067 1
1 142 . 20 1 1 A 18 18 THR CB C 18 68.725 70.108 -1.383 1
1 144 . 20 1 1 A 18 18 THR N N 18 117.096 122.114 -5.018 1
1 145 . 20 1 1 A 19 19 GLY H H 19 7.443 7.387 0.056 1
1 146 . 20 1 1 A 19 19 GLY HA2 H 19 4.177 4.051 0.126 1
1 147 . 20 1 1 A 19 19 GLY HA3 H 19 3.909 4.061 -0.152 1
1 148 . 20 1 1 A 19 19 GLY C C 19 170.720 172.931 -2.211 1
1 149 . 20 1 1 A 19 19 GLY CA C 19 45.877 45.689 0.188 1
1 150 . 20 1 1 A 19 19 GLY N N 19 111.594 108.478 3.116 1
1 151 . 20 1 1 A 20 20 LEU H H 20 8.400 8.384 0.016 1
1 152 . 20 1 1 A 20 20 LEU HA H 20 4.803 4.368 0.435 1
1 162 . 20 1 1 A 20 20 LEU C C 20 175.350 176.040 -0.690 1
1 163 . 20 1 1 A 20 20 LEU CA C 20 55.557 54.475 1.082 1
1 164 . 20 1 1 A 20 20 LEU CB C 20 46.554 43.317 3.237 1
1 168 . 20 1 1 A 20 20 LEU N N 20 121.661 121.111 0.550 1
1 169 . 20 1 1 A 21 21 THR H H 21 7.720 8.500 -0.780 1
1 170 . 20 1 1 A 21 21 THR HA H 21 4.900 4.677 0.223 1
1 175 . 20 1 1 A 21 21 THR C C 21 174.986 175.101 -0.115 1
1 176 . 20 1 1 A 21 21 THR CA C 21 61.049 60.787 0.262 1
1 177 . 20 1 1 A 21 21 THR CB C 21 71.081 72.936 -1.855 1
1 179 . 20 1 1 A 21 21 THR N N 21 112.043 112.229 -0.186 1
1 180 . 20 1 1 A 22 22 THR H H 22 7.782 8.617 -0.835 1
1 181 . 20 1 1 A 22 22 THR HA H 22 4.657 4.142 0.515 1
1 186 . 20 1 1 A 22 22 THR C C 22 174.110 176.229 -2.119 1
1 187 . 20 1 1 A 22 22 THR CA C 22 63.654 65.545 -1.891 1
1 188 . 20 1 1 A 22 22 THR CB C 22 69.834 68.446 1.388 1
1 190 . 20 1 1 A 22 22 THR N N 22 110.558 118.229 -7.671 1
1 191 . 20 1 1 A 23 23 SER H H 23 7.289 7.708 -0.419 1
1 192 . 20 1 1 A 23 23 SER HA H 23 4.717 4.897 -0.180 1
1 195 . 20 1 1 A 23 23 SER C C 23 173.680 174.246 -0.566 1
1 196 . 20 1 1 A 23 23 SER CA C 23 57.212 60.373 -3.161 1
1 197 . 20 1 1 A 23 23 SER CB C 23 66.012 64.390 1.622 1
1 198 . 20 1 1 A 23 23 SER N N 23 107.116 115.343 -8.227 1
1 199 . 20 1 1 A 24 24 THR H H 24 7.174 7.649 -0.475 1
1 200 . 20 1 1 A 24 24 THR HA H 24 5.377 4.766 0.611 1
1 205 . 20 1 1 A 24 24 THR C C 24 176.427 173.440 2.987 1
1 206 . 20 1 1 A 24 24 THR CA C 24 58.656 59.485 -0.829 1
1 207 . 20 1 1 A 24 24 THR CB C 24 73.018 71.614 1.404 1
1 209 . 20 1 1 A 24 24 THR N N 24 111.053 112.058 -1.005 1
1 210 . 20 1 1 A 25 25 THR H H 25 8.180 8.339 -0.159 1
1 211 . 20 1 1 A 25 25 THR HA H 25 4.608 4.889 -0.281 1
1 216 . 20 1 1 A 25 25 THR C C 25 170.451 173.534 -3.083 1
1 217 . 20 1 1 A 25 25 THR CA C 25 63.619 61.516 2.103 1
1 218 . 20 1 1 A 25 25 THR CB C 25 75.464 71.517 3.947 1
1 220 . 20 1 1 A 25 25 THR N N 25 117.664 115.982 1.682 1
1 221 . 20 1 1 A 26 26 GLU H H 26 9.197 8.703 0.494 1
1 222 . 20 1 1 A 26 26 GLU HA H 26 4.706 4.465 0.241 1
1 227 . 20 1 1 A 26 26 GLU C C 26 174.626 175.460 -0.834 1
1 228 . 20 1 1 A 26 26 GLU CA C 26 55.751 57.128 -1.377 1
1 229 . 20 1 1 A 26 26 GLU CB C 26 30.917 30.869 0.048 1
1 231 . 20 1 1 A 26 26 GLU N N 26 130.706 126.585 4.121 1
1 232 . 20 1 1 A 27 27 LEU H H 27 9.001 8.459 0.542 1
1 233 . 20 1 1 A 27 27 LEU HA H 27 5.273 5.288 -0.015 1
1 243 . 20 1 1 A 27 27 LEU C C 27 176.770 175.570 1.200 1
1 244 . 20 1 1 A 27 27 LEU CA C 27 53.165 53.559 -0.394 1
1 245 . 20 1 1 A 27 27 LEU CB C 27 47.693 47.142 0.551 1
1 249 . 20 1 1 A 27 27 LEU N N 27 124.564 120.912 3.652 1
1 250 . 20 1 1 A 28 28 ALA H H 28 8.640 8.458 0.182 1
1 251 . 20 1 1 A 28 28 ALA HA H 28 4.577 4.648 -0.071 1
1 255 . 20 1 1 A 28 28 ALA C C 28 174.523 175.191 -0.668 1
1 256 . 20 1 1 A 28 28 ALA CA C 28 51.404 51.959 -0.555 1
1 257 . 20 1 1 A 28 28 ALA CB C 28 23.304 20.668 2.636 1
1 258 . 20 1 1 A 28 28 ALA N N 28 122.531 121.420 1.111 1
1 259 . 20 1 1 A 29 29 TRP H H 29 7.581 8.003 -0.422 1
1 260 . 20 1 1 A 29 29 TRP HA H 29 4.868 5.668 -0.800 1
1 269 . 20 1 1 A 29 29 TRP C C 29 172.280 173.550 -1.270 1
1 270 . 20 1 1 A 29 29 TRP CA C 29 56.948 54.388 2.560 1
1 271 . 20 1 1 A 29 29 TRP CB C 29 29.667 32.255 -2.588 1
1 277 . 20 1 1 A 29 29 TRP N N 29 115.551 120.949 -5.398 1
1 279 . 20 1 1 A 30 30 ASP H H 30 9.276 9.391 -0.115 1
1 280 . 20 1 1 A 30 30 ASP HA H 30 5.443 5.086 0.357 1
1 283 . 20 1 1 A 30 30 ASP C C 30 173.846 173.605 0.241 1
1 284 . 20 1 1 A 30 30 ASP CA C 30 51.562 50.927 0.635 1
1 285 . 20 1 1 A 30 30 ASP CB C 30 42.533 42.379 0.154 1
1 286 . 20 1 1 A 30 30 ASP N N 30 117.265 119.836 -2.571 1
1 287 . 20 1 1 A 31 31 PRO HA H 31 5.105 4.903 0.202 1
1 294 . 20 1 1 A 31 31 PRO CA C 31 61.905 61.474 0.431 1
1 295 . 20 1 1 A 31 31 PRO CB C 31 29.864 31.414 -1.550 1
1 298 . 20 1 1 A 32 32 PRO HA H 32 4.580 4.470 0.110 1
1 305 . 20 1 1 A 32 32 PRO CA C 32 62.036 62.771 -0.735 1
1 306 . 20 1 1 A 32 32 PRO CB C 32 30.840 32.005 -1.165 1
1 309 . 20 1 1 A 33 33 VAL H H 33 8.755 8.052 0.703 1
1 310 . 20 1 1 A 33 33 VAL HA H 33 3.994 4.255 -0.261 1
1 318 . 20 1 1 A 33 33 VAL CA C 33 62.553 61.920 0.633 1
1 319 . 20 1 1 A 33 33 VAL CB C 33 31.763 32.572 -0.809 1
1 322 . 20 1 1 A 33 33 VAL N N 33 120.113 119.299 0.814 1
1 323 . 20 1 1 A 34 34 LEU H H 34 8.469 8.736 -0.267 1
1 324 . 20 1 1 A 34 34 LEU HA H 34 3.768 3.934 -0.166 1
1 334 . 20 1 1 A 34 34 LEU CA C 34 58.809 57.781 1.028 1
1 335 . 20 1 1 A 34 34 LEU CB C 34 42.426 41.441 0.985 1
1 339 . 20 1 1 A 34 34 LEU N N 34 125.095 123.464 1.631 1
1 340 . 20 1 1 A 35 35 ALA H H 35 8.586 8.022 0.564 1
1 341 . 20 1 1 A 35 35 ALA HA H 35 4.171 4.028 0.143 1
1 345 . 20 1 1 A 35 35 ALA CA C 35 53.957 55.251 -1.294 1
1 346 . 20 1 1 A 35 35 ALA CB C 35 19.056 18.129 0.927 1
1 347 . 20 1 1 A 35 35 ALA N N 35 119.010 122.181 -3.171 1
1 348 . 20 1 1 A 36 36 GLU H H 36 8.070 7.482 0.588 1
1 349 . 20 1 1 A 36 36 GLU HA H 36 4.305 4.279 0.026 1
1 354 . 20 1 1 A 36 36 GLU CA C 36 55.527 57.715 -2.188 1
1 355 . 20 1 1 A 36 36 GLU CB C 36 29.845 30.348 -0.503 1
1 357 . 20 1 1 A 36 36 GLU N N 36 115.604 115.447 0.157 1
1 358 . 20 1 1 A 37 37 ARG HA H 37 3.758 4.275 -0.517 1
1 365 . 20 1 1 A 37 37 ARG CA C 37 60.050 56.819 3.231 1
1 366 . 20 1 1 A 37 37 ARG CB C 37 30.804 30.665 0.139 1
1 369 . 20 1 1 A 37 37 ARG N N 37 122.198 119.205 2.993 1
1 370 . 20 1 1 A 38 38 ASN H H 38 8.093 8.838 -0.745 1
1 371 . 20 1 1 A 38 38 ASN HA H 38 4.291 4.704 -0.413 1
1 376 . 20 1 1 A 38 38 ASN C C 38 174.619 175.927 -1.308 1
1 377 . 20 1 1 A 38 38 ASN CA C 38 53.287 55.312 -2.025 1
1 378 . 20 1 1 A 38 38 ASN CB C 38 37.482 40.049 -2.567 1
1 379 . 20 1 1 A 38 38 ASN N N 38 109.319 123.716 -14.397 1
1 381 . 20 1 1 A 39 39 GLY H H 39 7.575 7.725 -0.150 1
1 382 . 20 1 1 A 39 39 GLY HA2 H 39 4.320 4.063 0.257 1
1 383 . 20 1 1 A 39 39 GLY HA3 H 39 3.697 4.064 -0.367 1
1 384 . 20 1 1 A 39 39 GLY C C 39 172.138 172.667 -0.529 1
1 385 . 20 1 1 A 39 39 GLY CA C 39 43.766 45.223 -1.457 1
1 386 . 20 1 1 A 39 39 GLY N N 39 105.607 104.384 1.223 1
1 387 . 20 1 1 A 40 40 ARG H H 40 8.180 8.379 -0.199 1
1 388 . 20 1 1 A 40 40 ARG HA H 40 4.333 5.181 -0.848 1
1 395 . 20 1 1 A 40 40 ARG C C 40 176.395 174.439 1.956 1
1 396 . 20 1 1 A 40 40 ARG CA C 40 55.453 53.974 1.479 1
1 397 . 20 1 1 A 40 40 ARG CB C 40 30.999 34.740 -3.741 1
1 400 . 20 1 1 A 40 40 ARG N N 40 119.566 121.500 -1.934 1
1 401 . 20 1 1 A 41 41 ILE H H 41 8.991 9.021 -0.030 1
1 402 . 20 1 1 A 41 41 ILE HA H 41 4.256 4.739 -0.483 1
1 412 . 20 1 1 A 41 41 ILE CA C 41 59.279 60.080 -0.801 1
1 413 . 20 1 1 A 41 41 ILE CB C 41 35.329 40.428 -5.099 1
1 417 . 20 1 1 A 41 41 ILE N N 41 127.226 121.607 5.619 1
1 418 . 20 1 1 A 42 42 ILE H H 42 8.721 8.571 0.150 1
1 419 . 20 1 1 A 42 42 ILE HA H 42 4.475 4.533 -0.058 1
1 429 . 20 1 1 A 42 42 ILE C C 42 175.959 175.775 0.184 1
1 430 . 20 1 1 A 42 42 ILE CA C 42 61.208 61.182 0.026 1
1 431 . 20 1 1 A 42 42 ILE CB C 42 39.771 40.145 -0.374 1
1 435 . 20 1 1 A 42 42 ILE N N 42 122.018 120.322 1.696 1
1 436 . 20 1 1 A 43 43 SER H H 43 7.425 7.499 -0.074 1
1 437 . 20 1 1 A 43 43 SER HA H 43 4.555 4.852 -0.297 1
1 440 . 20 1 1 A 43 43 SER C C 43 170.232 171.610 -1.378 1
1 441 . 20 1 1 A 43 43 SER CA C 43 58.234 57.547 0.687 1
1 442 . 20 1 1 A 43 43 SER CB C 43 64.287 65.445 -1.158 1
1 443 . 20 1 1 A 43 43 SER N N 43 113.043 115.310 -2.267 1
1 444 . 20 1 1 A 44 44 TYR H H 44 9.297 8.524 0.773 1
1 445 . 20 1 1 A 44 44 TYR HA H 44 5.741 5.527 0.214 1
1 452 . 20 1 1 A 44 44 TYR C C 44 175.735 175.233 0.502 1
1 453 . 20 1 1 A 44 44 TYR CA C 44 57.137 56.629 0.508 1
1 454 . 20 1 1 A 44 44 TYR CB C 44 42.410 43.219 -0.809 1
1 459 . 20 1 1 A 44 44 TYR N N 44 116.157 121.027 -4.870 1
1 460 . 20 1 1 A 45 45 THR H H 45 8.778 8.810 -0.032 1
1 461 . 20 1 1 A 45 45 THR HA H 45 5.094 5.211 -0.117 1
1 466 . 20 1 1 A 45 45 THR C C 45 173.026 173.464 -0.438 1
1 467 . 20 1 1 A 45 45 THR CA C 45 61.853 61.736 0.117 1
1 468 . 20 1 1 A 45 45 THR CB C 45 71.072 70.065 1.007 1
1 470 . 20 1 1 A 45 45 THR N N 45 114.801 116.796 -1.995 1
1 471 . 20 1 1 A 46 46 VAL H H 46 9.145 8.710 0.435 1
1 472 . 20 1 1 A 46 46 VAL HA H 46 4.244 4.729 -0.485 1
1 480 . 20 1 1 A 46 46 VAL C C 46 174.278 175.431 -1.153 1
1 481 . 20 1 1 A 46 46 VAL CA C 46 61.137 61.972 -0.835 1
1 482 . 20 1 1 A 46 46 VAL CB C 46 32.999 31.137 1.862 1
1 485 . 20 1 1 A 46 46 VAL N N 46 127.180 127.852 -0.672 1
1 486 . 20 1 1 A 47 47 VAL H H 47 9.041 8.540 0.501 1
1 487 . 20 1 1 A 47 47 VAL HA H 47 5.004 4.658 0.346 1
1 495 . 20 1 1 A 47 47 VAL C C 47 175.023 175.612 -0.589 1
1 496 . 20 1 1 A 47 47 VAL CA C 47 60.996 61.702 -0.706 1
1 497 . 20 1 1 A 47 47 VAL CB C 47 33.488 31.792 1.696 1
1 500 . 20 1 1 A 47 47 VAL N N 47 128.169 128.726 -0.557 1
1 501 . 20 1 1 A 48 48 PHE H H 48 9.169 9.179 -0.010 1
1 502 . 20 1 1 A 48 48 PHE HA H 48 6.209 6.166 0.043 1
1 510 . 20 1 1 A 48 48 PHE C C 48 173.210 173.449 -0.239 1
1 511 . 20 1 1 A 48 48 PHE CA C 48 54.702 55.139 -0.437 1
1 512 . 20 1 1 A 48 48 PHE CB C 48 43.316 42.701 0.615 1
1 518 . 20 1 1 A 48 48 PHE N N 48 123.753 123.931 -0.178 1
1 519 . 20 1 1 A 49 49 ARG H H 49 8.693 8.797 -0.104 1
1 520 . 20 1 1 A 49 49 ARG HA H 49 4.817 4.774 0.043 1
1 528 . 20 1 1 A 49 49 ARG C C 49 175.280 174.230 1.050 1
1 529 . 20 1 1 A 49 49 ARG CA C 49 54.801 54.871 -0.070 1
1 530 . 20 1 1 A 49 49 ARG CB C 49 35.242 34.032 1.210 1
1 533 . 20 1 1 A 49 49 ARG N N 49 118.793 121.196 -2.403 1
1 535 . 20 1 1 A 50 50 ASP H H 50 8.820 8.267 0.553 1
1 536 . 20 1 1 A 50 50 ASP HA H 50 4.029 4.405 -0.376 1
1 539 . 20 1 1 A 50 50 ASP C C 50 178.592 177.059 1.533 1
1 540 . 20 1 1 A 50 50 ASP CA C 50 53.498 53.969 -0.471 1
1 541 . 20 1 1 A 50 50 ASP CB C 50 40.543 41.166 -0.623 1
1 542 . 20 1 1 A 50 50 ASP N N 50 128.720 125.565 3.155 1
1 543 . 20 1 1 A 51 51 ILE H H 51 8.315 8.400 -0.085 1
1 544 . 20 1 1 A 51 51 ILE HA H 51 3.892 3.839 0.053 1
1 554 . 20 1 1 A 51 51 ILE C C 51 176.905 176.468 0.437 1
1 555 . 20 1 1 A 51 51 ILE CA C 51 64.569 63.195 1.374 1
1 556 . 20 1 1 A 51 51 ILE CB C 51 38.126 37.816 0.310 1
1 560 . 20 1 1 A 51 51 ILE N N 51 124.642 122.693 1.949 1
1 561 . 20 1 1 A 52 52 ASN H H 52 8.677 7.917 0.760 1
1 562 . 20 1 1 A 52 52 ASN HA H 52 4.760 4.794 -0.034 1
1 567 . 20 1 1 A 52 52 ASN C C 52 174.645 174.923 -0.278 1
1 568 . 20 1 1 A 52 52 ASN CA C 52 53.851 53.412 0.439 1
1 569 . 20 1 1 A 52 52 ASN CB C 52 39.032 39.531 -0.499 1
1 570 . 20 1 1 A 52 52 ASN N N 52 119.201 118.997 0.204 1
1 572 . 20 1 1 A 53 53 SER H H 53 8.409 8.205 0.204 1
1 573 . 20 1 1 A 53 53 SER HA H 53 4.663 4.947 -0.284 1
1 576 . 20 1 1 A 53 53 SER C C 53 173.861 173.685 0.176 1
1 577 . 20 1 1 A 53 53 SER CA C 53 56.702 57.606 -0.904 1
1 578 . 20 1 1 A 53 53 SER CB C 53 65.730 66.906 -1.176 1
1 579 . 20 1 1 A 53 53 SER N N 53 116.494 115.336 1.158 1
1 580 . 20 1 1 A 54 54 GLN H H 54 8.489 8.621 -0.132 1
1 581 . 20 1 1 A 54 54 GLN HA H 54 4.329 4.498 -0.169 1
1 588 . 20 1 1 A 54 54 GLN C C 54 175.789 175.735 0.054 1
1 589 . 20 1 1 A 54 54 GLN CA C 54 55.857 56.034 -0.177 1
1 590 . 20 1 1 A 54 54 GLN CB C 54 28.847 28.963 -0.116 1
1 592 . 20 1 1 A 54 54 GLN N N 54 119.700 120.685 -0.985 1
1 594 . 20 1 1 A 55 55 GLN H H 55 8.108 7.681 0.427 1
1 595 . 20 1 1 A 55 55 GLN HA H 55 4.269 4.498 -0.229 1
1 602 . 20 1 1 A 55 55 GLN C C 55 174.076 174.549 -0.473 1
1 603 . 20 1 1 A 55 55 GLN CA C 55 55.689 55.485 0.204 1
1 604 . 20 1 1 A 55 55 GLN CB C 55 29.352 29.412 -0.060 1
1 606 . 20 1 1 A 55 55 GLN N N 55 120.355 121.746 -1.391 1
1 608 . 20 1 1 A 56 56 GLU H H 56 8.603 8.928 -0.325 1
1 609 . 20 1 1 A 56 56 GLU HA H 56 4.372 4.974 -0.602 1
1 614 . 20 1 1 A 56 56 GLU C C 56 175.058 175.044 0.014 1
1 615 . 20 1 1 A 56 56 GLU CA C 56 55.594 55.135 0.459 1
1 616 . 20 1 1 A 56 56 GLU CB C 56 31.640 32.721 -1.081 1
1 618 . 20 1 1 A 56 56 GLU N N 56 126.250 128.156 -1.906 1
1 619 . 20 1 1 A 57 57 LEU H H 57 8.520 8.408 0.112 1
1 620 . 20 1 1 A 57 57 LEU HA H 57 4.458 4.695 -0.237 1
1 630 . 20 1 1 A 57 57 LEU C C 57 174.850 174.943 -0.093 1
1 631 . 20 1 1 A 57 57 LEU CA C 57 53.780 53.249 0.531 1
1 632 . 20 1 1 A 57 57 LEU CB C 57 43.903 46.298 -2.395 1
1 636 . 20 1 1 A 57 57 LEU N N 57 127.205 125.784 1.421 1
1 637 . 20 1 1 A 58 58 GLN H H 58 7.992 8.524 -0.532 1
1 638 . 20 1 1 A 58 58 GLN HA H 58 5.865 5.366 0.499 1
1 645 . 20 1 1 A 58 58 GLN C C 58 175.948 174.488 1.460 1
1 646 . 20 1 1 A 58 58 GLN CA C 58 53.944 54.262 -0.318 1
1 647 . 20 1 1 A 58 58 GLN CB C 58 32.786 33.507 -0.721 1
1 649 . 20 1 1 A 58 58 GLN N N 58 113.562 119.547 -5.985 1
1 651 . 20 1 1 A 59 59 ASN H H 59 9.073 8.594 0.479 1
1 652 . 20 1 1 A 59 59 ASN HA H 59 5.068 5.456 -0.388 1
1 657 . 20 1 1 A 59 59 ASN C C 59 172.790 174.023 -1.233 1
1 658 . 20 1 1 A 59 59 ASN CA C 59 53.023 51.630 1.393 1
1 659 . 20 1 1 A 59 59 ASN CB C 59 45.541 42.922 2.619 1
1 660 . 20 1 1 A 59 59 ASN N N 59 119.984 117.222 2.762 1
1 662 . 20 1 1 A 60 60 ILE H H 60 8.491 8.412 0.079 1
1 663 . 20 1 1 A 60 60 ILE HA H 60 5.147 5.108 0.039 1
1 673 . 20 1 1 A 60 60 ILE C C 60 175.088 174.431 0.657 1
1 674 . 20 1 1 A 60 60 ILE CA C 60 59.853 60.003 -0.150 1
1 675 . 20 1 1 A 60 60 ILE CB C 60 40.891 41.724 -0.833 1
1 679 . 20 1 1 A 60 60 ILE N N 60 119.480 120.136 -0.656 1
1 680 . 20 1 1 A 61 61 THR H H 61 8.755 8.328 0.427 1
1 681 . 20 1 1 A 61 61 THR HA H 61 4.976 5.136 -0.160 1
1 686 . 20 1 1 A 61 61 THR C C 61 172.097 173.760 -1.663 1
1 687 . 20 1 1 A 61 61 THR CA C 61 59.905 60.348 -0.443 1
1 688 . 20 1 1 A 61 61 THR CB C 61 69.505 71.052 -1.547 1
1 690 . 20 1 1 A 61 61 THR N N 61 118.083 119.345 -1.262 1
1 691 . 20 1 1 A 62 62 THR H H 62 8.325 8.552 -0.227 1
1 692 . 20 1 1 A 62 62 THR HA H 62 4.641 4.508 0.133 1
1 697 . 20 1 1 A 62 62 THR C C 62 174.386 173.645 0.741 1
1 698 . 20 1 1 A 62 62 THR CA C 62 62.440 62.221 0.219 1
1 699 . 20 1 1 A 62 62 THR CB C 62 69.355 68.766 0.589 1
1 701 . 20 1 1 A 62 62 THR N N 62 115.077 117.256 -2.179 1
1 702 . 20 1 1 A 63 63 ASP H H 63 8.611 7.488 1.123 1
1 703 . 20 1 1 A 63 63 ASP HA H 63 4.962 5.026 -0.064 1
1 706 . 20 1 1 A 63 63 ASP C C 63 172.906 176.812 -3.906 1
1 707 . 20 1 1 A 63 63 ASP CA C 63 52.981 52.963 0.018 1
1 708 . 20 1 1 A 63 63 ASP CB C 63 43.465 43.890 -0.425 1
1 709 . 20 1 1 A 63 63 ASP N N 63 125.713 121.939 3.774 1
1 710 . 20 1 1 A 64 64 THR H H 64 7.925 8.356 -0.431 1
1 711 . 20 1 1 A 64 64 THR HA H 64 3.088 3.786 -0.698 1
1 716 . 20 1 1 A 64 64 THR C C 64 172.176 172.022 0.154 1
1 717 . 20 1 1 A 64 64 THR CA C 64 59.078 61.486 -2.408 1
1 718 . 20 1 1 A 64 64 THR CB C 64 66.137 68.267 -2.130 1
1 720 . 20 1 1 A 64 64 THR N N 64 104.287 112.990 -8.703 1
1 721 . 20 1 1 A 65 65 ARG H H 65 6.387 7.311 -0.924 1
1 722 . 20 1 1 A 65 65 ARG HA H 65 4.221 3.616 0.605 1
1 729 . 20 1 1 A 65 65 ARG C C 65 174.862 174.160 0.702 1
1 730 . 20 1 1 A 65 65 ARG CA C 65 54.132 53.456 0.676 1
1 731 . 20 1 1 A 65 65 ARG CB C 65 32.928 33.577 -0.649 1
1 734 . 20 1 1 A 65 65 ARG N N 65 115.062 118.592 -3.530 1
1 735 . 20 1 1 A 66 66 PHE H H 66 8.177 8.907 -0.730 1
1 736 . 20 1 1 A 66 66 PHE HA H 66 4.373 4.897 -0.524 1
1 744 . 20 1 1 A 66 66 PHE C C 66 172.804 173.205 -0.401 1
1 745 . 20 1 1 A 66 66 PHE CA C 66 59.536 58.209 1.327 1
1 746 . 20 1 1 A 66 66 PHE CB C 66 44.469 41.454 3.015 1
1 752 . 20 1 1 A 66 66 PHE N N 66 119.991 119.500 0.491 1
1 753 . 20 1 1 A 67 67 THR H H 67 7.332 7.159 0.173 1
1 754 . 20 1 1 A 67 67 THR HA H 67 4.628 5.084 -0.456 1
1 759 . 20 1 1 A 67 67 THR C C 67 172.910 173.803 -0.893 1
1 760 . 20 1 1 A 67 67 THR CA C 67 61.261 61.232 0.029 1
1 761 . 20 1 1 A 67 67 THR CB C 67 69.260 71.221 -1.961 1
1 763 . 20 1 1 A 67 67 THR N N 67 123.294 116.437 6.857 1
1 764 . 20 1 1 A 68 68 LEU H H 68 8.776 9.151 -0.375 1
1 765 . 20 1 1 A 68 68 LEU HA H 68 4.192 4.231 -0.039 1
1 775 . 20 1 1 A 68 68 LEU C C 68 176.337 175.883 0.454 1
1 776 . 20 1 1 A 68 68 LEU CA C 68 54.394 54.691 -0.297 1
1 777 . 20 1 1 A 68 68 LEU CB C 68 42.394 42.329 0.065 1
1 781 . 20 1 1 A 68 68 LEU N N 68 126.969 127.762 -0.793 1
1 782 . 20 1 1 A 69 69 THR H H 69 7.921 8.264 -0.343 1
1 783 . 20 1 1 A 69 69 THR HA H 69 4.814 4.671 0.143 1
1 788 . 20 1 1 A 69 69 THR C C 69 173.856 173.590 0.266 1
1 789 . 20 1 1 A 69 69 THR CA C 69 59.694 60.536 -0.842 1
1 790 . 20 1 1 A 69 69 THR CB C 69 71.829 71.433 0.396 1
1 792 . 20 1 1 A 69 69 THR N N 69 111.246 111.311 -0.065 1
1 793 . 20 1 1 A 70 70 GLY H H 70 8.894 8.669 0.225 1
1 794 . 20 1 1 A 70 70 GLY HA2 H 70 3.930 3.865 0.065 1
1 795 . 20 1 1 A 70 70 GLY HA3 H 70 3.809 3.893 -0.084 1
1 796 . 20 1 1 A 70 70 GLY C C 70 175.589 174.280 1.309 1
1 797 . 20 1 1 A 70 70 GLY CA C 70 46.178 46.815 -0.637 1
1 798 . 20 1 1 A 70 70 GLY N N 70 107.415 112.279 -4.864 1
1 799 . 20 1 1 A 71 71 LEU H H 71 8.341 7.719 0.622 1
1 800 . 20 1 1 A 71 71 LEU HA H 71 4.195 4.912 -0.717 1
1 810 . 20 1 1 A 71 71 LEU C C 71 175.422 175.022 0.400 1
1 811 . 20 1 1 A 71 71 LEU CA C 71 53.429 52.963 0.466 1
1 812 . 20 1 1 A 71 71 LEU CB C 71 40.650 43.961 -3.311 1
1 816 . 20 1 1 A 71 71 LEU N N 71 118.621 120.191 -1.570 1
1 817 . 20 1 1 A 72 72 LYS H H 72 8.298 9.374 -1.076 1
1 818 . 20 1 1 A 72 72 LYS HA H 72 4.631 4.646 -0.015 1
1 827 . 20 1 1 A 72 72 LYS C C 72 174.599 175.462 -0.863 1
1 828 . 20 1 1 A 72 72 LYS CA C 72 53.851 54.041 -0.190 1
1 829 . 20 1 1 A 72 72 LYS CB C 72 33.619 33.940 -0.321 1
1 833 . 20 1 1 A 72 72 LYS N N 72 121.340 122.385 -1.045 1
1 834 . 20 1 1 A 73 73 PRO HA H 73 5.086 4.494 0.592 1
1 841 . 20 1 1 A 73 73 PRO C C 73 178.198 177.230 0.968 1
1 842 . 20 1 1 A 73 73 PRO CA C 73 62.897 63.437 -0.540 1
1 843 . 20 1 1 A 73 73 PRO CB C 73 33.198 32.189 1.009 1
1 846 . 20 1 1 A 74 74 ASP H H 74 7.537 9.029 -1.492 1
1 847 . 20 1 1 A 74 74 ASP HA H 74 4.290 4.276 0.014 1
1 850 . 20 1 1 A 74 74 ASP C C 74 174.390 174.712 -0.322 1
1 851 . 20 1 1 A 74 74 ASP CA C 74 54.343 55.167 -0.824 1
1 852 . 20 1 1 A 74 74 ASP CB C 74 41.393 39.750 1.643 1
1 853 . 20 1 1 A 74 74 ASP N N 74 126.834 121.495 5.339 1
1 854 . 20 1 1 A 75 75 THR H H 75 8.197 7.311 0.886 1
1 855 . 20 1 1 A 75 75 THR HA H 75 4.316 4.883 -0.567 1
1 860 . 20 1 1 A 75 75 THR C C 75 172.076 173.466 -1.390 1
1 861 . 20 1 1 A 75 75 THR CA C 75 63.087 61.242 1.845 1
1 862 . 20 1 1 A 75 75 THR CB C 75 71.822 72.521 -0.699 1
1 864 . 20 1 1 A 75 75 THR N N 75 113.905 112.408 1.497 1
1 865 . 20 1 1 A 76 76 THR H H 76 8.606 8.799 -0.193 1
1 866 . 20 1 1 A 76 76 THR HA H 76 4.641 4.438 0.203 1
1 871 . 20 1 1 A 76 76 THR C C 76 172.308 173.954 -1.646 1
1 872 . 20 1 1 A 76 76 THR CA C 76 63.197 63.374 -0.177 1
1 873 . 20 1 1 A 76 76 THR CB C 76 68.333 69.083 -0.750 1
1 875 . 20 1 1 A 76 76 THR N N 76 124.170 121.290 2.880 1
1 876 . 20 1 1 A 77 77 TYR H H 77 9.230 8.908 0.322 1
1 877 . 20 1 1 A 77 77 TYR HA H 77 5.084 5.059 0.025 1
1 884 . 20 1 1 A 77 77 TYR C C 77 174.065 174.416 -0.351 1
1 885 . 20 1 1 A 77 77 TYR CA C 77 57.443 56.307 1.136 1
1 886 . 20 1 1 A 77 77 TYR CB C 77 41.115 40.023 1.092 1
1 891 . 20 1 1 A 77 77 TYR N N 77 125.729 126.581 -0.852 1
1 892 . 20 1 1 A 78 78 ASP H H 78 9.222 9.210 0.012 1
1 893 . 20 1 1 A 78 78 ASP HA H 78 5.288 4.776 0.512 1
1 896 . 20 1 1 A 78 78 ASP C C 78 176.268 174.813 1.455 1
1 897 . 20 1 1 A 78 78 ASP CA C 78 53.565 54.225 -0.660 1
1 898 . 20 1 1 A 78 78 ASP CB C 78 44.874 40.866 4.008 1
1 899 . 20 1 1 A 78 78 ASP N N 78 124.016 125.428 -1.412 1
1 900 . 20 1 1 A 79 79 ILE H H 79 9.210 8.606 0.604 1
1 901 . 20 1 1 A 79 79 ILE HA H 79 5.027 5.416 -0.389 1
1 911 . 20 1 1 A 79 79 ILE C C 79 172.968 174.828 -1.860 1
1 912 . 20 1 1 A 79 79 ILE CA C 79 61.102 59.912 1.190 1
1 913 . 20 1 1 A 79 79 ILE CB C 79 41.830 40.294 1.536 1
1 917 . 20 1 1 A 79 79 ILE N N 79 127.527 127.426 0.101 1
1 918 . 20 1 1 A 80 80 LYS H H 80 8.930 9.405 -0.475 1
1 919 . 20 1 1 A 80 80 LYS HA H 80 4.282 5.093 -0.811 1
1 928 . 20 1 1 A 80 80 LYS C C 80 173.716 174.316 -0.600 1
1 929 . 20 1 1 A 80 80 LYS CA C 80 54.749 54.034 0.715 1
1 930 . 20 1 1 A 80 80 LYS CB C 80 37.864 36.886 0.978 1
1 934 . 20 1 1 A 80 80 LYS N N 80 122.620 124.530 -1.910 1
1 935 . 20 1 1 A 81 81 VAL H H 81 8.070 8.772 -0.702 1
1 936 . 20 1 1 A 81 81 VAL HA H 81 5.365 5.006 0.359 1
1 944 . 20 1 1 A 81 81 VAL C C 81 174.099 173.552 0.547 1
1 945 . 20 1 1 A 81 81 VAL CA C 81 59.228 59.558 -0.330 1
1 946 . 20 1 1 A 81 81 VAL CB C 81 36.108 34.987 1.121 1
1 949 . 20 1 1 A 81 81 VAL N N 81 115.045 119.151 -4.106 1
1 950 . 20 1 1 A 82 82 ARG H H 82 8.733 8.855 -0.122 1
1 951 . 20 1 1 A 82 82 ARG HA H 82 4.984 5.124 -0.140 1
1 959 . 20 1 1 A 82 82 ARG C C 82 172.874 174.618 -1.744 1
1 960 . 20 1 1 A 82 82 ARG CA C 82 53.552 54.899 -1.347 1
1 961 . 20 1 1 A 82 82 ARG CB C 82 34.521 34.010 0.511 1
1 964 . 20 1 1 A 82 82 ARG N N 82 122.032 122.998 -0.966 1
1 966 . 20 1 1 A 83 83 ALA H H 83 9.221 8.590 0.631 1
1 967 . 20 1 1 A 83 83 ALA HA H 83 5.132 3.949 1.183 1
1 971 . 20 1 1 A 83 83 ALA C C 83 174.998 176.933 -1.935 1
1 972 . 20 1 1 A 83 83 ALA CA C 83 50.383 51.970 -1.587 1
1 973 . 20 1 1 A 83 83 ALA CB C 83 23.472 19.680 3.792 1
1 974 . 20 1 1 A 83 83 ALA N N 83 124.044 125.145 -1.101 1
1 975 . 20 1 1 A 84 84 TRP H H 84 8.387 8.460 -0.073 1
1 976 . 20 1 1 A 84 84 TRP HA H 84 5.020 5.247 -0.227 1
1 985 . 20 1 1 A 84 84 TRP C C 84 177.430 175.552 1.878 1
1 986 . 20 1 1 A 84 84 TRP CA C 84 56.807 56.242 0.565 1
1 987 . 20 1 1 A 84 84 TRP CB C 84 31.235 33.187 -1.952 1
1 993 . 20 1 1 A 84 84 TRP N N 84 117.779 120.388 -2.609 1
1 995 . 20 1 1 A 85 85 THR H H 85 8.698 8.938 -0.240 1
1 996 . 20 1 1 A 85 85 THR HA H 85 5.190 5.164 0.026 1
1 1001 . 20 1 1 A 85 85 THR C C 85 176.429 175.359 1.070 1
1 1002 . 20 1 1 A 85 85 THR CA C 85 59.958 59.951 0.007 1
1 1003 . 20 1 1 A 85 85 THR CB C 85 72.646 72.020 0.626 1
1 1005 . 20 1 1 A 85 85 THR N N 85 111.404 113.020 -1.616 1
1 1006 . 20 1 1 A 86 86 SER H H 86 9.765 8.893 0.872 1
1 1007 . 20 1 1 A 86 86 SER HA H 86 4.242 4.200 0.042 1
1 1010 . 20 1 1 A 86 86 SER C C 86 174.834 176.228 -1.394 1
1 1011 . 20 1 1 A 86 86 SER CA C 86 61.014 61.353 -0.339 1
1 1012 . 20 1 1 A 86 86 SER CB C 86 62.807 63.055 -0.248 1
1 1013 . 20 1 1 A 86 86 SER N N 86 115.745 116.063 -0.318 1
1 1014 . 20 1 1 A 87 87 LYS H H 87 7.947 7.776 0.171 1
1 1015 . 20 1 1 A 87 87 LYS HA H 87 4.426 4.255 0.171 1
1 1024 . 20 1 1 A 87 87 LYS C C 87 176.373 176.593 -0.220 1
1 1025 . 20 1 1 A 87 87 LYS CA C 87 55.857 57.868 -2.011 1
1 1026 . 20 1 1 A 87 87 LYS CB C 87 33.386 33.438 -0.052 1
1 1030 . 20 1 1 A 87 87 LYS N N 87 118.254 119.388 -1.134 1
1 1031 . 20 1 1 A 88 88 GLY H H 88 7.400 7.042 0.358 1
1 1032 . 20 1 1 A 88 88 GLY HA2 H 88 4.446 4.070 0.376 1
1 1033 . 20 1 1 A 88 88 GLY HA3 H 88 3.990 4.197 -0.207 1
1 1034 . 20 1 1 A 88 88 GLY C C 88 171.366 171.384 -0.018 1
1 1035 . 20 1 1 A 88 88 GLY CA C 88 45.006 45.974 -0.968 1
1 1036 . 20 1 1 A 88 88 GLY N N 88 106.086 104.054 2.032 1
1 1037 . 20 1 1 A 89 89 SER H H 89 8.048 8.169 -0.121 1
1 1038 . 20 1 1 A 89 89 SER HA H 89 3.899 4.381 -0.482 1
1 1041 . 20 1 1 A 89 89 SER CA C 89 56.522 55.019 1.503 1
1 1042 . 20 1 1 A 89 89 SER CB C 89 63.965 64.850 -0.885 1
1 1043 . 20 1 1 A 89 89 SER N N 89 113.549 116.069 -2.520 1
1 1044 . 20 1 1 A 90 90 GLY H H 90 8.282 7.785 0.497 1
1 1045 . 20 1 1 A 90 90 GLY HA2 H 90 4.637 4.031 0.606 1
1 1046 . 20 1 1 A 90 90 GLY HA3 H 90 3.696 4.035 -0.339 1
1 1047 . 20 1 1 A 90 90 GLY CA C 90 44.399 44.289 0.110 1
1 1048 . 20 1 1 A 90 90 GLY N N 90 109.030 110.092 -1.062 1
1 1049 . 20 1 1 A 91 91 PRO HA H 91 4.448 4.573 -0.125 1
1 1056 . 20 1 1 A 91 91 PRO C C 91 177.760 175.057 2.703 1
1 1057 . 20 1 1 A 91 91 PRO CA C 91 62.229 62.633 -0.404 1
1 1058 . 20 1 1 A 91 91 PRO CB C 91 32.367 33.110 -0.743 1
1 1061 . 20 1 1 A 92 92 LEU H H 92 8.373 8.363 0.010 1
1 1062 . 20 1 1 A 92 92 LEU HA H 92 4.110 4.737 -0.627 1
1 1072 . 20 1 1 A 92 92 LEU C C 92 176.841 176.475 0.366 1
1 1073 . 20 1 1 A 92 92 LEU CA C 92 55.163 53.567 1.596 1
1 1074 . 20 1 1 A 92 92 LEU CB C 92 43.188 43.390 -0.202 1
1 1078 . 20 1 1 A 92 92 LEU N N 92 121.096 122.009 -0.913 1
1 1079 . 20 1 1 A 93 93 SER H H 93 8.629 9.200 -0.571 1
1 1080 . 20 1 1 A 93 93 SER HA H 93 3.683 4.254 -0.571 1
1 1083 . 20 1 1 A 93 93 SER C C 93 171.637 173.723 -2.086 1
1 1084 . 20 1 1 A 93 93 SER CA C 93 56.900 56.931 -0.031 1
1 1085 . 20 1 1 A 93 93 SER CB C 93 62.923 62.776 0.147 1
1 1086 . 20 1 1 A 93 93 SER N N 93 116.072 121.106 -5.034 1
1 1087 . 20 1 1 A 94 94 PRO HA H 94 4.330 4.513 -0.183 1
1 1094 . 20 1 1 A 94 94 PRO C C 94 178.093 177.157 0.936 1
1 1095 . 20 1 1 A 94 94 PRO CA C 94 63.309 62.566 0.743 1
1 1096 . 20 1 1 A 94 94 PRO CB C 94 31.463 31.596 -0.133 1
1 1099 . 20 1 1 A 95 95 SER H H 95 8.722 8.420 0.302 1
1 1100 . 20 1 1 A 95 95 SER HA H 95 4.923 4.932 -0.009 1
1 1103 . 20 1 1 A 95 95 SER C C 95 176.215 175.338 0.877 1
1 1104 . 20 1 1 A 95 95 SER CA C 95 58.955 58.169 0.786 1
1 1105 . 20 1 1 A 95 95 SER CB C 95 64.884 64.424 0.460 1
1 1106 . 20 1 1 A 95 95 SER N N 95 122.184 115.154 7.030 1
1 1107 . 20 1 1 A 96 96 ILE H H 96 8.915 8.452 0.463 1
1 1108 . 20 1 1 A 96 96 ILE HA H 96 4.609 4.547 0.062 1
1 1118 . 20 1 1 A 96 96 ILE C C 96 174.546 176.592 -2.046 1
1 1119 . 20 1 1 A 96 96 ILE CA C 96 59.782 61.123 -1.341 1
1 1120 . 20 1 1 A 96 96 ILE CB C 96 40.995 40.126 0.869 1
1 1124 . 20 1 1 A 96 96 ILE N N 96 115.463 118.076 -2.613 1
1 1125 . 20 1 1 A 97 97 GLN H H 97 8.292 7.819 0.473 1
1 1126 . 20 1 1 A 97 97 GLN HA H 97 5.849 3.960 1.889 1
1 1133 . 20 1 1 A 97 97 GLN C C 97 176.173 174.579 1.594 1
1 1134 . 20 1 1 A 97 97 GLN CA C 97 54.361 56.946 -2.585 1
1 1135 . 20 1 1 A 97 97 GLN CB C 97 31.102 26.477 4.625 1
1 1137 . 20 1 1 A 97 97 GLN N N 97 117.686 118.011 -0.325 1
1 1139 . 20 1 1 A 98 98 SER H H 98 8.751 7.830 0.921 1
1 1140 . 20 1 1 A 98 98 SER HA H 98 4.618 4.572 0.046 1
1 1143 . 20 1 1 A 98 98 SER C C 98 172.310 173.570 -1.260 1
1 1144 . 20 1 1 A 98 98 SER CA C 98 57.019 57.999 -0.980 1
1 1145 . 20 1 1 A 98 98 SER CB C 98 64.588 63.364 1.224 1
1 1146 . 20 1 1 A 98 98 SER N N 98 115.969 113.257 2.712 1
1 1147 . 20 1 1 A 99 99 ARG H H 99 8.519 8.667 -0.148 1
1 1148 . 20 1 1 A 99 99 ARG HA H 99 5.627 5.001 0.626 1
1 1156 . 20 1 1 A 99 99 ARG C C 99 176.394 175.921 0.473 1
1 1157 . 20 1 1 A 99 99 ARG CA C 99 53.705 56.337 -2.632 1
1 1158 . 20 1 1 A 99 99 ARG CB C 99 32.853 30.828 2.025 1
1 1161 . 20 1 1 A 99 99 ARG N N 99 132.343 129.573 2.770 1
1 1163 . 20 1 1 A 100 100 THR H H 100 8.808 8.282 0.526 1
1 1164 . 20 1 1 A 100 100 THR HA H 100 4.182 4.297 -0.115 1
1 1169 . 20 1 1 A 100 100 THR C C 100 175.465 174.432 1.033 1
1 1170 . 20 1 1 A 100 100 THR CA C 100 61.701 62.584 -0.883 1
1 1171 . 20 1 1 A 100 100 THR CB C 100 69.515 69.910 -0.395 1
1 1173 . 20 1 1 A 100 100 THR N N 100 116.147 118.565 -2.418 1
1 1174 . 20 1 1 A 101 101 MET H H 101 7.254 8.515 -1.261 1
1 1175 . 20 1 1 A 101 101 MET HA H 101 4.504 4.668 -0.164 1
1 1183 . 20 1 1 A 101 101 MET C C 101 174.574 175.328 -0.754 1
1 1184 . 20 1 1 A 101 101 MET CA C 101 54.324 54.028 0.296 1
1 1185 . 20 1 1 A 101 101 MET CB C 101 32.235 32.457 -0.222 1
1 1188 . 20 1 1 A 101 101 MET N N 101 117.475 121.163 -3.688 1
1 1189 . 20 1 1 A 102 102 PRO HA H 102 4.647 4.718 -0.071 1
1 1196 . 20 1 1 A 102 102 PRO CA C 102 62.553 62.457 0.096 1
1 1197 . 20 1 1 A 102 102 PRO CB C 102 32.011 30.749 1.262 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 83 1.232 1
2 1 1 1 "RMS(OBS, PRED)" CA 97 1.262 1
3 1 1 1 "RMS(OBS, PRED)" CB 90 1.683 1
4 1 1 1 "RMS(OBS, PRED)" H 87 0.542 1
5 1 1 1 "RMS(OBS, PRED)" HA 104 0.401 1
6 1 1 1 "RMS(OBS, PRED)" N 88 3.365 1
7 1 2 1 "RMS(OBS, PRED)" C 83 1.186 1
8 1 2 1 "RMS(OBS, PRED)" CA 97 1.198 1
9 1 2 1 "RMS(OBS, PRED)" CB 90 1.671 1
10 1 2 1 "RMS(OBS, PRED)" H 87 0.552 1
11 1 2 1 "RMS(OBS, PRED)" HA 104 0.397 1
12 1 2 1 "RMS(OBS, PRED)" N 88 3.555 1
13 1 3 1 "RMS(OBS, PRED)" C 83 1.252 1
14 1 3 1 "RMS(OBS, PRED)" CA 97 1.289 1
15 1 3 1 "RMS(OBS, PRED)" CB 90 1.683 1
16 1 3 1 "RMS(OBS, PRED)" H 87 0.544 1
17 1 3 1 "RMS(OBS, PRED)" HA 104 0.394 1
18 1 3 1 "RMS(OBS, PRED)" N 88 3.132 1
19 1 4 1 "RMS(OBS, PRED)" C 83 1.251 1
20 1 4 1 "RMS(OBS, PRED)" CA 97 1.210 1
21 1 4 1 "RMS(OBS, PRED)" CB 90 1.714 1
22 1 4 1 "RMS(OBS, PRED)" H 87 0.556 1
23 1 4 1 "RMS(OBS, PRED)" HA 104 0.424 1
24 1 4 1 "RMS(OBS, PRED)" N 88 3.340 1
25 1 5 1 "RMS(OBS, PRED)" C 83 1.251 1
26 1 5 1 "RMS(OBS, PRED)" CA 97 1.227 1
27 1 5 1 "RMS(OBS, PRED)" CB 90 1.657 1
28 1 5 1 "RMS(OBS, PRED)" H 87 0.546 1
29 1 5 1 "RMS(OBS, PRED)" HA 104 0.398 1
30 1 5 1 "RMS(OBS, PRED)" N 88 3.316 1
31 1 6 1 "RMS(OBS, PRED)" C 83 1.280 1
32 1 6 1 "RMS(OBS, PRED)" CA 97 1.282 1
33 1 6 1 "RMS(OBS, PRED)" CB 90 1.643 1
34 1 6 1 "RMS(OBS, PRED)" H 87 0.525 1
35 1 6 1 "RMS(OBS, PRED)" HA 104 0.408 1
36 1 6 1 "RMS(OBS, PRED)" N 88 3.310 1
37 1 7 1 "RMS(OBS, PRED)" C 83 1.265 1
38 1 7 1 "RMS(OBS, PRED)" CA 97 1.282 1
39 1 7 1 "RMS(OBS, PRED)" CB 90 1.720 1
40 1 7 1 "RMS(OBS, PRED)" H 87 0.542 1
41 1 7 1 "RMS(OBS, PRED)" HA 104 0.393 1
42 1 7 1 "RMS(OBS, PRED)" N 88 3.454 1
43 1 8 1 "RMS(OBS, PRED)" C 83 1.234 1
44 1 8 1 "RMS(OBS, PRED)" CA 97 1.289 1
45 1 8 1 "RMS(OBS, PRED)" CB 90 1.656 1
46 1 8 1 "RMS(OBS, PRED)" H 87 0.536 1
47 1 8 1 "RMS(OBS, PRED)" HA 104 0.403 1
48 1 8 1 "RMS(OBS, PRED)" N 88 3.362 1
49 1 9 1 "RMS(OBS, PRED)" C 83 1.246 1
50 1 9 1 "RMS(OBS, PRED)" CA 97 1.277 1
51 1 9 1 "RMS(OBS, PRED)" CB 90 1.639 1
52 1 9 1 "RMS(OBS, PRED)" H 87 0.565 1
53 1 9 1 "RMS(OBS, PRED)" HA 104 0.424 1
54 1 9 1 "RMS(OBS, PRED)" N 88 3.538 1
55 1 10 1 "RMS(OBS, PRED)" C 83 1.207 1
56 1 10 1 "RMS(OBS, PRED)" CA 97 1.205 1
57 1 10 1 "RMS(OBS, PRED)" CB 90 1.618 1
58 1 10 1 "RMS(OBS, PRED)" H 87 0.549 1
59 1 10 1 "RMS(OBS, PRED)" HA 104 0.384 1
60 1 10 1 "RMS(OBS, PRED)" N 88 3.252 1
61 1 11 1 "RMS(OBS, PRED)" C 83 1.231 1
62 1 11 1 "RMS(OBS, PRED)" CA 97 1.225 1
63 1 11 1 "RMS(OBS, PRED)" CB 90 1.653 1
64 1 11 1 "RMS(OBS, PRED)" H 87 0.545 1
65 1 11 1 "RMS(OBS, PRED)" HA 104 0.420 1
66 1 11 1 "RMS(OBS, PRED)" N 88 3.228 1
67 1 12 1 "RMS(OBS, PRED)" C 83 1.289 1
68 1 12 1 "RMS(OBS, PRED)" CA 97 1.279 1
69 1 12 1 "RMS(OBS, PRED)" CB 90 1.646 1
70 1 12 1 "RMS(OBS, PRED)" H 87 0.515 1
71 1 12 1 "RMS(OBS, PRED)" HA 104 0.400 1
72 1 12 1 "RMS(OBS, PRED)" N 88 3.428 1
73 1 13 1 "RMS(OBS, PRED)" C 83 1.233 1
74 1 13 1 "RMS(OBS, PRED)" CA 97 1.303 1
75 1 13 1 "RMS(OBS, PRED)" CB 90 1.671 1
76 1 13 1 "RMS(OBS, PRED)" H 87 0.541 1
77 1 13 1 "RMS(OBS, PRED)" HA 104 0.408 1
78 1 13 1 "RMS(OBS, PRED)" N 88 3.416 1
79 1 14 1 "RMS(OBS, PRED)" C 83 1.194 1
80 1 14 1 "RMS(OBS, PRED)" CA 97 1.258 1
81 1 14 1 "RMS(OBS, PRED)" CB 90 1.589 1
82 1 14 1 "RMS(OBS, PRED)" H 87 0.568 1
83 1 14 1 "RMS(OBS, PRED)" HA 104 0.411 1
84 1 14 1 "RMS(OBS, PRED)" N 88 3.378 1
85 1 15 1 "RMS(OBS, PRED)" C 83 1.206 1
86 1 15 1 "RMS(OBS, PRED)" CA 97 1.226 1
87 1 15 1 "RMS(OBS, PRED)" CB 90 1.647 1
88 1 15 1 "RMS(OBS, PRED)" H 87 0.559 1
89 1 15 1 "RMS(OBS, PRED)" HA 104 0.428 1
90 1 15 1 "RMS(OBS, PRED)" N 88 3.599 1
91 1 16 1 "RMS(OBS, PRED)" C 83 1.203 1
92 1 16 1 "RMS(OBS, PRED)" CA 97 1.161 1
93 1 16 1 "RMS(OBS, PRED)" CB 90 1.683 1
94 1 16 1 "RMS(OBS, PRED)" H 87 0.545 1
95 1 16 1 "RMS(OBS, PRED)" HA 104 0.405 1
96 1 16 1 "RMS(OBS, PRED)" N 88 3.399 1
97 1 17 1 "RMS(OBS, PRED)" C 83 1.234 1
98 1 17 1 "RMS(OBS, PRED)" CA 97 1.173 1
99 1 17 1 "RMS(OBS, PRED)" CB 90 1.643 1
100 1 17 1 "RMS(OBS, PRED)" H 87 0.571 1
101 1 17 1 "RMS(OBS, PRED)" HA 104 0.397 1
102 1 17 1 "RMS(OBS, PRED)" N 88 3.116 1
103 1 18 1 "RMS(OBS, PRED)" C 83 1.223 1
104 1 18 1 "RMS(OBS, PRED)" CA 97 1.266 1
105 1 18 1 "RMS(OBS, PRED)" CB 90 1.714 1
106 1 18 1 "RMS(OBS, PRED)" H 87 0.558 1
107 1 18 1 "RMS(OBS, PRED)" HA 104 0.426 1
108 1 18 1 "RMS(OBS, PRED)" N 88 3.518 1
109 1 19 1 "RMS(OBS, PRED)" C 83 1.251 1
110 1 19 1 "RMS(OBS, PRED)" CA 97 1.295 1
111 1 19 1 "RMS(OBS, PRED)" CB 90 1.727 1
112 1 19 1 "RMS(OBS, PRED)" H 87 0.517 1
113 1 19 1 "RMS(OBS, PRED)" HA 104 0.389 1
114 1 19 1 "RMS(OBS, PRED)" N 88 3.498 1
115 1 20 1 "RMS(OBS, PRED)" C 83 1.261 1
116 1 20 1 "RMS(OBS, PRED)" CA 97 1.199 1
117 1 20 1 "RMS(OBS, PRED)" CB 90 1.673 1
118 1 20 1 "RMS(OBS, PRED)" H 87 0.544 1
119 1 20 1 "RMS(OBS, PRED)" HA 104 0.418 1
120 1 20 1 "RMS(OBS, PRED)" N 88 3.504 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 6 6 SER HA H 6 4.535 4.673 -0.138 2
1 4 . 1 1 A 6 6 SER CA C 6 58.104 58.251 -0.147 2
1 5 . 1 1 A 6 6 SER CB C 6 64.201 64.757 -0.555 2
1 6 . 1 1 A 7 7 GLY H H 7 7.998 8.223 -0.225 2
1 7 . 1 1 A 7 7 GLY HA2 H 7 3.978 4.015 -0.037 2
1 8 . 1 1 A 7 7 GLY HA3 H 7 3.515 4.057 -0.542 2
1 9 . 1 1 A 7 7 GLY CA C 7 44.050 44.462 -0.412 2
1 10 . 1 1 A 7 7 GLY N N 7 108.741 109.223 -0.482 2
1 11 . 1 1 A 8 8 PRO HA H 8 4.324 4.655 -0.331 2
1 18 . 1 1 A 8 8 PRO CA C 8 63.624 62.669 0.955 2
1 19 . 1 1 A 8 8 PRO CB C 8 32.235 32.749 -0.514 2
1 22 . 1 1 A 9 9 SER H H 9 8.323 8.592 -0.269 2
1 23 . 1 1 A 9 9 SER HA H 9 4.512 4.675 -0.163 2
1 26 . 1 1 A 9 9 SER C C 9 174.410 173.963 0.447 2
1 27 . 1 1 A 9 9 SER CA C 9 57.701 57.512 0.189 2
1 28 . 1 1 A 9 9 SER CB C 9 63.909 63.829 0.080 2
1 29 . 1 1 A 9 9 SER N N 9 115.299 115.343 -0.044 2
1 30 . 1 1 A 10 10 GLY H H 10 7.439 7.748 -0.309 2
1 31 . 1 1 A 10 10 GLY HA2 H 10 4.383 4.018 0.365 2
1 32 . 1 1 A 10 10 GLY HA3 H 10 3.951 4.058 -0.107 2
1 33 . 1 1 A 10 10 GLY C C 10 172.743 172.591 0.152 2
1 34 . 1 1 A 10 10 GLY CA C 10 43.924 44.781 -0.857 2
1 35 . 1 1 A 10 10 GLY N N 10 107.797 109.568 -1.771 2
1 36 . 1 1 A 11 11 PHE H H 11 7.534 8.307 -0.773 2
1 37 . 1 1 A 11 11 PHE HA H 11 5.519 5.324 0.195 2
1 44 . 1 1 A 11 11 PHE C C 11 173.822 173.827 -0.005 2
1 45 . 1 1 A 11 11 PHE CA C 11 52.513 55.015 -2.502 2
1 46 . 1 1 A 11 11 PHE CB C 11 38.744 41.294 -2.550 2
1 51 . 1 1 A 11 11 PHE N N 11 115.246 117.293 -2.047 2
1 52 . 1 1 A 12 12 PRO HA H 12 4.285 4.725 -0.440 2
1 59 . 1 1 A 12 12 PRO C C 12 175.173 175.423 -0.250 2
1 60 . 1 1 A 12 12 PRO CA C 12 63.707 62.604 1.103 2
1 61 . 1 1 A 12 12 PRO CB C 12 32.344 33.442 -1.098 2
1 64 . 1 1 A 13 13 GLN H H 13 7.469 8.443 -0.974 2
1 65 . 1 1 A 13 13 GLN HA H 13 4.511 4.827 -0.316 2
1 72 . 1 1 A 13 13 GLN C C 13 175.349 175.174 0.175 2
1 73 . 1 1 A 13 13 GLN CA C 13 54.572 54.416 0.156 2
1 74 . 1 1 A 13 13 GLN CB C 13 32.848 31.669 1.179 2
1 76 . 1 1 A 13 13 GLN N N 13 120.555 118.788 1.767 2
1 78 . 1 1 A 14 14 ASN H H 14 8.978 8.882 0.096 2
1 79 . 1 1 A 14 14 ASN HA H 14 4.424 4.438 -0.014 2
1 84 . 1 1 A 14 14 ASN C C 14 174.770 173.898 0.872 2
1 85 . 1 1 A 14 14 ASN CA C 14 54.079 54.229 -0.150 2
1 86 . 1 1 A 14 14 ASN CB C 14 37.343 36.973 0.370 2
1 87 . 1 1 A 14 14 ASN N N 14 114.024 116.042 -2.018 2
1 89 . 1 1 A 15 15 LEU H H 15 8.437 7.989 0.448 2
1 90 . 1 1 A 15 15 LEU HA H 15 5.062 4.615 0.447 2
1 100 . 1 1 A 15 15 LEU C C 15 177.001 175.524 1.477 2
1 101 . 1 1 A 15 15 LEU CA C 15 56.667 55.185 1.482 2
1 102 . 1 1 A 15 15 LEU CB C 15 41.720 42.632 -0.912 2
1 106 . 1 1 A 15 15 LEU N N 15 121.843 121.772 0.071 2
1 107 . 1 1 A 16 16 HIS H H 16 9.492 8.182 1.310 2
1 108 . 1 1 A 16 16 HIS HA H 16 4.987 5.199 -0.212 2
1 113 . 1 1 A 16 16 HIS C C 16 171.333 171.733 -0.400 2
1 114 . 1 1 A 16 16 HIS CA C 16 55.153 54.659 0.494 2
1 115 . 1 1 A 16 16 HIS CB C 16 30.515 31.806 -1.291 2
1 118 . 1 1 A 16 16 HIS N N 16 121.636 121.324 0.312 2
1 119 . 1 1 A 17 17 VAL H H 17 8.606 8.687 -0.081 2
1 120 . 1 1 A 17 17 VAL HA H 17 4.663 4.657 0.005 2
1 128 . 1 1 A 17 17 VAL C C 17 177.740 176.176 1.564 2
1 129 . 1 1 A 17 17 VAL CA C 17 61.771 60.684 1.087 2
1 130 . 1 1 A 17 17 VAL CB C 17 33.476 33.978 -0.502 2
1 133 . 1 1 A 17 17 VAL N N 17 120.868 119.580 1.288 2
1 134 . 1 1 A 18 18 THR H H 18 9.022 8.849 0.173 2
1 135 . 1 1 A 18 18 THR HA H 18 4.516 4.416 0.100 2
1 140 . 1 1 A 18 18 THR C C 18 174.913 174.618 0.295 2
1 141 . 1 1 A 18 18 THR CA C 18 61.472 63.503 -2.031 2
1 142 . 1 1 A 18 18 THR CB C 18 68.725 70.166 -1.441 2
1 144 . 1 1 A 18 18 THR N N 18 117.096 122.102 -5.006 2
1 145 . 1 1 A 19 19 GLY H H 19 7.443 7.371 0.072 2
1 146 . 1 1 A 19 19 GLY HA2 H 19 4.177 4.060 0.117 2
1 147 . 1 1 A 19 19 GLY HA3 H 19 3.909 4.068 -0.159 2
1 148 . 1 1 A 19 19 GLY C C 19 170.720 172.796 -2.076 2
1 149 . 1 1 A 19 19 GLY CA C 19 45.877 45.655 0.222 2
1 150 . 1 1 A 19 19 GLY N N 19 111.594 108.376 3.218 2
1 151 . 1 1 A 20 20 LEU H H 20 8.400 8.468 -0.068 2
1 152 . 1 1 A 20 20 LEU HA H 20 4.803 4.409 0.394 2
1 162 . 1 1 A 20 20 LEU C C 20 175.350 176.022 -0.672 2
1 163 . 1 1 A 20 20 LEU CA C 20 55.557 54.421 1.136 2
1 164 . 1 1 A 20 20 LEU CB C 20 46.554 43.418 3.136 2
1 168 . 1 1 A 20 20 LEU N N 20 121.661 121.272 0.389 2
1 169 . 1 1 A 21 21 THR H H 21 7.720 8.480 -0.760 2
1 170 . 1 1 A 21 21 THR HA H 21 4.900 4.670 0.230 2
1 175 . 1 1 A 21 21 THR C C 21 174.986 175.125 -0.139 2
1 176 . 1 1 A 21 21 THR CA C 21 61.049 60.974 0.075 2
1 177 . 1 1 A 21 21 THR CB C 21 71.081 72.857 -1.776 2
1 179 . 1 1 A 21 21 THR N N 21 112.043 112.518 -0.475 2
1 180 . 1 1 A 22 22 THR H H 22 7.782 8.720 -0.938 2
1 181 . 1 1 A 22 22 THR HA H 22 4.657 4.196 0.461 2
1 186 . 1 1 A 22 22 THR C C 22 174.110 175.964 -1.853 2
1 187 . 1 1 A 22 22 THR CA C 22 63.654 65.576 -1.922 2
1 188 . 1 1 A 22 22 THR CB C 22 69.834 68.386 1.448 2
1 190 . 1 1 A 22 22 THR N N 22 110.558 119.063 -8.505 2
1 191 . 1 1 A 23 23 SER H H 23 7.289 7.706 -0.417 2
1 192 . 1 1 A 23 23 SER HA H 23 4.717 4.835 -0.118 2
1 195 . 1 1 A 23 23 SER C C 23 173.680 174.365 -0.685 2
1 196 . 1 1 A 23 23 SER CA C 23 57.212 59.873 -2.661 2
1 197 . 1 1 A 23 23 SER CB C 23 66.012 64.454 1.558 2
1 198 . 1 1 A 23 23 SER N N 23 107.116 114.959 -7.843 2
1 199 . 1 1 A 24 24 THR H H 24 7.174 7.642 -0.468 2
1 200 . 1 1 A 24 24 THR HA H 24 5.377 4.741 0.636 2
1 205 . 1 1 A 24 24 THR C C 24 176.427 173.439 2.988 2
1 206 . 1 1 A 24 24 THR CA C 24 58.656 59.886 -1.230 2
1 207 . 1 1 A 24 24 THR CB C 24 73.018 71.490 1.528 2
1 209 . 1 1 A 24 24 THR N N 24 111.053 112.062 -1.009 2
1 210 . 1 1 A 25 25 THR H H 25 8.180 8.367 -0.187 2
1 211 . 1 1 A 25 25 THR HA H 25 4.608 4.899 -0.291 2
1 216 . 1 1 A 25 25 THR C C 25 170.451 173.525 -3.074 2
1 217 . 1 1 A 25 25 THR CA C 25 63.619 61.574 2.045 2
1 218 . 1 1 A 25 25 THR CB C 25 75.464 71.584 3.880 2
1 220 . 1 1 A 25 25 THR N N 25 117.664 115.955 1.709 2
1 221 . 1 1 A 26 26 GLU H H 26 9.197 8.672 0.525 2
1 222 . 1 1 A 26 26 GLU HA H 26 4.706 4.525 0.181 2
1 227 . 1 1 A 26 26 GLU C C 26 174.626 175.584 -0.958 2
1 228 . 1 1 A 26 26 GLU CA C 26 55.751 57.040 -1.289 2
1 229 . 1 1 A 26 26 GLU CB C 26 30.917 30.903 0.014 2
1 231 . 1 1 A 26 26 GLU N N 26 130.706 126.661 4.045 2
1 232 . 1 1 A 27 27 LEU H H 27 9.001 8.473 0.528 2
1 233 . 1 1 A 27 27 LEU HA H 27 5.273 5.268 0.005 2
1 243 . 1 1 A 27 27 LEU C C 27 176.770 175.653 1.117 2
1 244 . 1 1 A 27 27 LEU CA C 27 53.165 53.618 -0.453 2
1 245 . 1 1 A 27 27 LEU CB C 27 47.693 47.137 0.556 2
1 249 . 1 1 A 27 27 LEU N N 27 124.564 120.952 3.612 2
1 250 . 1 1 A 28 28 ALA H H 28 8.640 8.427 0.213 2
1 251 . 1 1 A 28 28 ALA HA H 28 4.577 4.704 -0.127 2
1 255 . 1 1 A 28 28 ALA C C 28 174.523 175.206 -0.683 2
1 256 . 1 1 A 28 28 ALA CA C 28 51.404 51.967 -0.563 2
1 257 . 1 1 A 28 28 ALA CB C 28 23.304 20.750 2.554 2
1 258 . 1 1 A 28 28 ALA N N 28 122.531 121.383 1.148 2
1 259 . 1 1 A 29 29 TRP H H 29 7.581 8.074 -0.493 2
1 260 . 1 1 A 29 29 TRP HA H 29 4.868 5.629 -0.761 2
1 269 . 1 1 A 29 29 TRP C C 29 172.280 173.207 -0.927 2
1 270 . 1 1 A 29 29 TRP CA C 29 56.948 54.508 2.440 2
1 271 . 1 1 A 29 29 TRP CB C 29 29.667 32.205 -2.538 2
1 277 . 1 1 A 29 29 TRP N N 29 115.551 120.786 -5.235 2
1 279 . 1 1 A 30 30 ASP H H 30 9.276 9.410 -0.134 2
1 280 . 1 1 A 30 30 ASP HA H 30 5.443 5.114 0.329 2
1 283 . 1 1 A 30 30 ASP C C 30 173.846 173.714 0.132 2
1 284 . 1 1 A 30 30 ASP CA C 30 51.562 51.019 0.543 2
1 285 . 1 1 A 30 30 ASP CB C 30 42.533 42.728 -0.195 2
1 286 . 1 1 A 30 30 ASP N N 30 117.265 119.620 -2.355 2
1 287 . 1 1 A 31 31 PRO HA H 31 5.105 4.935 0.170 2
1 294 . 1 1 A 31 31 PRO CA C 31 61.905 61.518 0.387 2
1 295 . 1 1 A 31 31 PRO CB C 31 29.864 31.497 -1.633 2
1 298 . 1 1 A 32 32 PRO HA H 32 4.580 4.537 0.043 2
1 305 . 1 1 A 32 32 PRO CA C 32 62.036 62.771 -0.735 2
1 306 . 1 1 A 32 32 PRO CB C 32 30.840 32.075 -1.235 2
1 309 . 1 1 A 33 33 VAL H H 33 8.755 8.095 0.660 2
1 310 . 1 1 A 33 33 VAL HA H 33 3.994 4.197 -0.203 2
1 318 . 1 1 A 33 33 VAL CA C 33 62.553 62.239 0.314 2
1 319 . 1 1 A 33 33 VAL CB C 33 31.763 32.422 -0.659 2
1 322 . 1 1 A 33 33 VAL N N 33 120.113 119.706 0.407 2
1 323 . 1 1 A 34 34 LEU H H 34 8.469 8.771 -0.302 2
1 324 . 1 1 A 34 34 LEU HA H 34 3.768 3.920 -0.152 2
1 334 . 1 1 A 34 34 LEU CA C 34 58.809 57.869 0.940 2
1 335 . 1 1 A 34 34 LEU CB C 34 42.426 41.585 0.841 2
1 339 . 1 1 A 34 34 LEU N N 34 125.095 124.028 1.068 2
1 340 . 1 1 A 35 35 ALA H H 35 8.586 7.978 0.608 2
1 341 . 1 1 A 35 35 ALA HA H 35 4.171 4.075 0.096 2
1 345 . 1 1 A 35 35 ALA CA C 35 53.957 55.204 -1.247 2
1 346 . 1 1 A 35 35 ALA CB C 35 19.056 18.508 0.548 2
1 347 . 1 1 A 35 35 ALA N N 35 119.010 122.014 -3.004 2
1 348 . 1 1 A 36 36 GLU H H 36 8.070 7.953 0.117 2
1 349 . 1 1 A 36 36 GLU HA H 36 4.305 4.301 0.004 2
1 354 . 1 1 A 36 36 GLU CA C 36 55.527 57.177 -1.650 2
1 355 . 1 1 A 36 36 GLU CB C 36 29.845 29.167 0.678 2
1 357 . 1 1 A 36 36 GLU N N 36 115.604 115.929 -0.325 2
1 358 . 1 1 A 37 37 ARG HA H 37 3.758 4.553 -0.795 2
1 365 . 1 1 A 37 37 ARG CA C 37 60.050 55.454 4.596 2
1 366 . 1 1 A 37 37 ARG CB C 37 30.804 31.367 -0.563 2
1 369 . 1 1 A 37 37 ARG N N 37 122.198 120.671 1.527 2
1 370 . 1 1 A 38 38 ASN H H 38 8.093 8.778 -0.685 2
1 371 . 1 1 A 38 38 ASN HA H 38 4.291 4.726 -0.435 2
1 376 . 1 1 A 38 38 ASN C C 38 174.619 175.250 -0.631 2
1 377 . 1 1 A 38 38 ASN CA C 38 53.287 54.183 -0.896 2
1 378 . 1 1 A 38 38 ASN CB C 38 37.482 38.829 -1.347 2
1 379 . 1 1 A 38 38 ASN N N 38 109.319 122.448 -13.129 2
1 381 . 1 1 A 39 39 GLY H H 39 7.575 7.633 -0.058 2
1 382 . 1 1 A 39 39 GLY HA2 H 39 4.320 4.109 0.211 2
1 383 . 1 1 A 39 39 GLY HA3 H 39 3.697 4.111 -0.414 2
1 384 . 1 1 A 39 39 GLY C C 39 172.138 172.319 -0.181 2
1 385 . 1 1 A 39 39 GLY CA C 39 43.766 45.364 -1.598 2
1 386 . 1 1 A 39 39 GLY N N 39 105.607 105.985 -0.378 2
1 387 . 1 1 A 40 40 ARG H H 40 8.180 8.474 -0.294 2
1 388 . 1 1 A 40 40 ARG HA H 40 4.333 4.990 -0.657 2
1 395 . 1 1 A 40 40 ARG C C 40 176.395 174.875 1.521 2
1 396 . 1 1 A 40 40 ARG CA C 40 55.453 54.401 1.052 2
1 397 . 1 1 A 40 40 ARG CB C 40 30.999 33.703 -2.704 2
1 400 . 1 1 A 40 40 ARG N N 40 119.566 121.218 -1.652 2
1 401 . 1 1 A 41 41 ILE H H 41 8.991 8.934 0.057 2
1 402 . 1 1 A 41 41 ILE HA H 41 4.256 4.723 -0.467 2
1 412 . 1 1 A 41 41 ILE CA C 41 59.279 60.273 -0.994 2
1 413 . 1 1 A 41 41 ILE CB C 41 35.329 40.191 -4.862 2
1 417 . 1 1 A 41 41 ILE N N 41 127.226 121.997 5.229 2
1 418 . 1 1 A 42 42 ILE H H 42 8.721 8.803 -0.082 2
1 419 . 1 1 A 42 42 ILE HA H 42 4.475 4.523 -0.048 2
1 429 . 1 1 A 42 42 ILE C C 42 175.959 175.930 0.029 2
1 430 . 1 1 A 42 42 ILE CA C 42 61.208 61.240 -0.032 2
1 431 . 1 1 A 42 42 ILE CB C 42 39.771 39.830 -0.059 2
1 435 . 1 1 A 42 42 ILE N N 42 122.018 120.569 1.449 2
1 436 . 1 1 A 43 43 SER H H 43 7.425 7.663 -0.238 2
1 437 . 1 1 A 43 43 SER HA H 43 4.555 4.945 -0.390 2
1 440 . 1 1 A 43 43 SER C C 43 170.232 171.634 -1.402 2
1 441 . 1 1 A 43 43 SER CA C 43 58.234 57.658 0.576 2
1 442 . 1 1 A 43 43 SER CB C 43 64.287 65.699 -1.412 2
1 443 . 1 1 A 43 43 SER N N 43 113.043 114.966 -1.923 2
1 444 . 1 1 A 44 44 TYR H H 44 9.297 8.463 0.834 2
1 445 . 1 1 A 44 44 TYR HA H 44 5.741 5.726 0.015 2
1 452 . 1 1 A 44 44 TYR C C 44 175.735 175.167 0.568 2
1 453 . 1 1 A 44 44 TYR CA C 44 57.137 56.530 0.607 2
1 454 . 1 1 A 44 44 TYR CB C 44 42.410 43.209 -0.799 2
1 459 . 1 1 A 44 44 TYR N N 44 116.157 119.538 -3.381 2
1 460 . 1 1 A 45 45 THR H H 45 8.778 8.824 -0.046 2
1 461 . 1 1 A 45 45 THR HA H 45 5.094 5.153 -0.059 2
1 466 . 1 1 A 45 45 THR C C 45 173.026 173.504 -0.478 2
1 467 . 1 1 A 45 45 THR CA C 45 61.853 61.662 0.191 2
1 468 . 1 1 A 45 45 THR CB C 45 71.072 70.381 0.691 2
1 470 . 1 1 A 45 45 THR N N 45 114.801 116.340 -1.539 2
1 471 . 1 1 A 46 46 VAL H H 46 9.145 8.761 0.384 2
1 472 . 1 1 A 46 46 VAL HA H 46 4.244 4.640 -0.396 2
1 480 . 1 1 A 46 46 VAL C C 46 174.278 175.310 -1.032 2
1 481 . 1 1 A 46 46 VAL CA C 46 61.137 62.136 -0.999 2
1 482 . 1 1 A 46 46 VAL CB C 46 32.999 31.069 1.930 2
1 485 . 1 1 A 46 46 VAL N N 46 127.180 127.759 -0.579 2
1 486 . 1 1 A 47 47 VAL H H 47 9.041 8.692 0.349 2
1 487 . 1 1 A 47 47 VAL HA H 47 5.004 4.663 0.341 2
1 495 . 1 1 A 47 47 VAL C C 47 175.023 175.571 -0.548 2
1 496 . 1 1 A 47 47 VAL CA C 47 60.996 61.698 -0.702 2
1 497 . 1 1 A 47 47 VAL CB C 47 33.488 31.898 1.590 2
1 500 . 1 1 A 47 47 VAL N N 47 128.169 128.610 -0.441 2
1 501 . 1 1 A 48 48 PHE H H 48 9.169 9.076 0.093 2
1 502 . 1 1 A 48 48 PHE HA H 48 6.209 6.128 0.082 2
1 510 . 1 1 A 48 48 PHE C C 48 173.210 173.540 -0.330 2
1 511 . 1 1 A 48 48 PHE CA C 48 54.702 55.172 -0.470 2
1 512 . 1 1 A 48 48 PHE CB C 48 43.316 42.536 0.780 2
1 518 . 1 1 A 48 48 PHE N N 48 123.753 124.293 -0.540 2
1 519 . 1 1 A 49 49 ARG H H 49 8.693 8.746 -0.053 2
1 520 . 1 1 A 49 49 ARG HA H 49 4.817 4.764 0.053 2
1 528 . 1 1 A 49 49 ARG C C 49 175.280 174.142 1.138 2
1 529 . 1 1 A 49 49 ARG CA C 49 54.801 54.966 -0.165 2
1 530 . 1 1 A 49 49 ARG CB C 49 35.242 34.177 1.065 2
1 533 . 1 1 A 49 49 ARG N N 49 118.793 121.022 -2.229 2
1 535 . 1 1 A 50 50 ASP H H 50 8.820 8.721 0.099 2
1 536 . 1 1 A 50 50 ASP HA H 50 4.029 4.442 -0.413 2
1 539 . 1 1 A 50 50 ASP C C 50 178.592 177.251 1.341 2
1 540 . 1 1 A 50 50 ASP CA C 50 53.498 53.842 -0.344 2
1 541 . 1 1 A 50 50 ASP CB C 50 40.543 40.761 -0.218 2
1 542 . 1 1 A 50 50 ASP N N 50 128.720 125.257 3.463 2
1 543 . 1 1 A 51 51 ILE H H 51 8.315 8.399 -0.084 2
1 544 . 1 1 A 51 51 ILE HA H 51 3.892 3.794 0.098 2
1 554 . 1 1 A 51 51 ILE C C 51 176.905 176.612 0.293 2
1 555 . 1 1 A 51 51 ILE CA C 51 64.569 63.360 1.209 2
1 556 . 1 1 A 51 51 ILE CB C 51 38.126 37.762 0.364 2
1 560 . 1 1 A 51 51 ILE N N 51 124.642 122.959 1.683 2
1 561 . 1 1 A 52 52 ASN H H 52 8.677 7.832 0.845 2
1 562 . 1 1 A 52 52 ASN HA H 52 4.760 4.757 0.003 2
1 567 . 1 1 A 52 52 ASN C C 52 174.645 175.029 -0.384 2
1 568 . 1 1 A 52 52 ASN CA C 52 53.851 53.844 0.007 2
1 569 . 1 1 A 52 52 ASN CB C 52 39.032 39.505 -0.473 2
1 570 . 1 1 A 52 52 ASN N N 52 119.201 118.817 0.384 2
1 572 . 1 1 A 53 53 SER H H 53 8.409 8.224 0.185 2
1 573 . 1 1 A 53 53 SER HA H 53 4.663 4.913 -0.250 2
1 576 . 1 1 A 53 53 SER C C 53 173.861 173.779 0.082 2
1 577 . 1 1 A 53 53 SER CA C 53 56.702 57.490 -0.788 2
1 578 . 1 1 A 53 53 SER CB C 53 65.730 66.726 -0.996 2
1 579 . 1 1 A 53 53 SER N N 53 116.494 114.826 1.668 2
1 580 . 1 1 A 54 54 GLN H H 54 8.489 8.513 -0.024 2
1 581 . 1 1 A 54 54 GLN HA H 54 4.329 4.566 -0.237 2
1 588 . 1 1 A 54 54 GLN C C 54 175.789 175.249 0.540 2
1 589 . 1 1 A 54 54 GLN CA C 54 55.857 55.119 0.738 2
1 590 . 1 1 A 54 54 GLN CB C 54 28.847 28.800 0.047 2
1 592 . 1 1 A 54 54 GLN N N 54 119.700 120.061 -0.361 2
1 594 . 1 1 A 55 55 GLN H H 55 8.108 7.655 0.453 2
1 595 . 1 1 A 55 55 GLN HA H 55 4.269 4.602 -0.333 2
1 602 . 1 1 A 55 55 GLN C C 55 174.076 174.618 -0.542 2
1 603 . 1 1 A 55 55 GLN CA C 55 55.689 55.000 0.689 2
1 604 . 1 1 A 55 55 GLN CB C 55 29.352 29.707 -0.355 2
1 606 . 1 1 A 55 55 GLN N N 55 120.355 121.739 -1.384 2
1 608 . 1 1 A 56 56 GLU H H 56 8.603 8.850 -0.247 2
1 609 . 1 1 A 56 56 GLU HA H 56 4.372 4.760 -0.388 2
1 614 . 1 1 A 56 56 GLU C C 56 175.058 175.336 -0.278 2
1 615 . 1 1 A 56 56 GLU CA C 56 55.594 55.977 -0.383 2
1 616 . 1 1 A 56 56 GLU CB C 56 31.640 31.174 0.467 2
1 618 . 1 1 A 56 56 GLU N N 56 126.250 128.640 -2.390 2
1 619 . 1 1 A 57 57 LEU H H 57 8.520 8.090 0.430 2
1 620 . 1 1 A 57 57 LEU HA H 57 4.458 4.712 -0.254 2
1 630 . 1 1 A 57 57 LEU C C 57 174.850 174.702 0.148 2
1 631 . 1 1 A 57 57 LEU CA C 57 53.780 53.226 0.554 2
1 632 . 1 1 A 57 57 LEU CB C 57 43.903 46.224 -2.321 2
1 636 . 1 1 A 57 57 LEU N N 57 127.205 125.955 1.250 2
1 637 . 1 1 A 58 58 GLN H H 58 7.992 8.612 -0.620 2
1 638 . 1 1 A 58 58 GLN HA H 58 5.865 5.464 0.401 2
1 645 . 1 1 A 58 58 GLN C C 58 175.948 174.040 1.908 2
1 646 . 1 1 A 58 58 GLN CA C 58 53.944 54.351 -0.407 2
1 647 . 1 1 A 58 58 GLN CB C 58 32.786 33.087 -0.301 2
1 649 . 1 1 A 58 58 GLN N N 58 113.562 119.090 -5.528 2
1 651 . 1 1 A 59 59 ASN H H 59 9.073 8.876 0.197 2
1 652 . 1 1 A 59 59 ASN HA H 59 5.068 5.434 -0.366 2
1 657 . 1 1 A 59 59 ASN C C 59 172.790 174.108 -1.318 2
1 658 . 1 1 A 59 59 ASN CA C 59 53.023 51.670 1.353 2
1 659 . 1 1 A 59 59 ASN CB C 59 45.541 42.853 2.688 2
1 660 . 1 1 A 59 59 ASN N N 59 119.984 117.439 2.545 2
1 662 . 1 1 A 60 60 ILE H H 60 8.491 8.444 0.047 2
1 663 . 1 1 A 60 60 ILE HA H 60 5.147 5.084 0.063 2
1 673 . 1 1 A 60 60 ILE C C 60 175.088 174.509 0.579 2
1 674 . 1 1 A 60 60 ILE CA C 60 59.853 60.085 -0.232 2
1 675 . 1 1 A 60 60 ILE CB C 60 40.891 41.447 -0.556 2
1 679 . 1 1 A 60 60 ILE N N 60 119.480 120.430 -0.949 2
1 680 . 1 1 A 61 61 THR H H 61 8.755 8.372 0.383 2
1 681 . 1 1 A 61 61 THR HA H 61 4.976 5.166 -0.190 2
1 686 . 1 1 A 61 61 THR C C 61 172.097 173.947 -1.850 2
1 687 . 1 1 A 61 61 THR CA C 61 59.905 60.337 -0.432 2
1 688 . 1 1 A 61 61 THR CB C 61 69.505 71.495 -1.990 2
1 690 . 1 1 A 61 61 THR N N 61 118.083 119.476 -1.393 2
1 691 . 1 1 A 62 62 THR H H 62 8.325 8.587 -0.262 2
1 692 . 1 1 A 62 62 THR HA H 62 4.641 4.488 0.153 2
1 697 . 1 1 A 62 62 THR C C 62 174.386 173.677 0.709 2
1 698 . 1 1 A 62 62 THR CA C 62 62.440 62.565 -0.125 2
1 699 . 1 1 A 62 62 THR CB C 62 69.355 68.775 0.580 2
1 701 . 1 1 A 62 62 THR N N 62 115.077 117.725 -2.648 2
1 702 . 1 1 A 63 63 ASP H H 63 8.611 7.583 1.028 2
1 703 . 1 1 A 63 63 ASP HA H 63 4.962 5.037 -0.075 2
1 706 . 1 1 A 63 63 ASP C C 63 172.906 176.640 -3.734 2
1 707 . 1 1 A 63 63 ASP CA C 63 52.981 53.005 -0.024 2
1 708 . 1 1 A 63 63 ASP CB C 63 43.465 43.850 -0.385 2
1 709 . 1 1 A 63 63 ASP N N 63 125.713 121.616 4.097 2
1 710 . 1 1 A 64 64 THR H H 64 7.925 8.316 -0.390 2
1 711 . 1 1 A 64 64 THR HA H 64 3.088 3.741 -0.653 2
1 716 . 1 1 A 64 64 THR C C 64 172.176 171.913 0.263 2
1 717 . 1 1 A 64 64 THR CA C 64 59.078 61.415 -2.337 2
1 718 . 1 1 A 64 64 THR CB C 64 66.137 68.167 -2.030 2
1 720 . 1 1 A 64 64 THR N N 64 104.287 112.685 -8.398 2
1 721 . 1 1 A 65 65 ARG H H 65 6.387 7.344 -0.957 2
1 722 . 1 1 A 65 65 ARG HA H 65 4.221 3.804 0.417 2
1 729 . 1 1 A 65 65 ARG C C 65 174.862 174.243 0.619 2
1 730 . 1 1 A 65 65 ARG CA C 65 54.132 53.498 0.634 2
1 731 . 1 1 A 65 65 ARG CB C 65 32.928 33.877 -0.949 2
1 734 . 1 1 A 65 65 ARG N N 65 115.062 118.595 -3.533 2
1 735 . 1 1 A 66 66 PHE H H 66 8.177 8.956 -0.779 2
1 736 . 1 1 A 66 66 PHE HA H 66 4.373 4.921 -0.548 2
1 744 . 1 1 A 66 66 PHE C C 66 172.804 173.111 -0.307 2
1 745 . 1 1 A 66 66 PHE CA C 66 59.536 58.197 1.339 2
1 746 . 1 1 A 66 66 PHE CB C 66 44.469 41.773 2.696 2
1 752 . 1 1 A 66 66 PHE N N 66 119.991 119.634 0.357 2
1 753 . 1 1 A 67 67 THR H H 67 7.332 7.413 -0.081 2
1 754 . 1 1 A 67 67 THR HA H 67 4.628 5.160 -0.532 2
1 759 . 1 1 A 67 67 THR C C 67 172.910 173.894 -0.984 2
1 760 . 1 1 A 67 67 THR CA C 67 61.261 61.151 0.110 2
1 761 . 1 1 A 67 67 THR CB C 67 69.260 71.209 -1.949 2
1 763 . 1 1 A 67 67 THR N N 67 123.294 117.526 5.768 2
1 764 . 1 1 A 68 68 LEU H H 68 8.776 9.141 -0.365 2
1 765 . 1 1 A 68 68 LEU HA H 68 4.192 4.278 -0.086 2
1 775 . 1 1 A 68 68 LEU C C 68 176.337 175.905 0.432 2
1 776 . 1 1 A 68 68 LEU CA C 68 54.394 54.721 -0.327 2
1 777 . 1 1 A 68 68 LEU CB C 68 42.394 42.239 0.155 2
1 781 . 1 1 A 68 68 LEU N N 68 126.969 127.860 -0.891 2
1 782 . 1 1 A 69 69 THR H H 69 7.921 8.254 -0.333 2
1 783 . 1 1 A 69 69 THR HA H 69 4.814 4.662 0.152 2
1 788 . 1 1 A 69 69 THR C C 69 173.856 173.571 0.285 2
1 789 . 1 1 A 69 69 THR CA C 69 59.694 60.555 -0.861 2
1 790 . 1 1 A 69 69 THR CB C 69 71.829 71.486 0.343 2
1 792 . 1 1 A 69 69 THR N N 69 111.246 111.432 -0.186 2
1 793 . 1 1 A 70 70 GLY H H 70 8.894 8.655 0.239 2
1 794 . 1 1 A 70 70 GLY HA2 H 70 3.930 3.853 0.077 2
1 795 . 1 1 A 70 70 GLY HA3 H 70 3.809 3.877 -0.068 2
1 796 . 1 1 A 70 70 GLY C C 70 175.589 174.568 1.021 2
1 797 . 1 1 A 70 70 GLY CA C 70 46.178 46.797 -0.619 2
1 798 . 1 1 A 70 70 GLY N N 70 107.415 112.270 -4.855 2
1 799 . 1 1 A 71 71 LEU H H 71 8.341 7.774 0.567 2
1 800 . 1 1 A 71 71 LEU HA H 71 4.195 4.799 -0.604 2
1 810 . 1 1 A 71 71 LEU C C 71 175.422 175.306 0.116 2
1 811 . 1 1 A 71 71 LEU CA C 71 53.429 53.252 0.177 2
1 812 . 1 1 A 71 71 LEU CB C 71 40.650 43.533 -2.884 2
1 816 . 1 1 A 71 71 LEU N N 71 118.621 120.385 -1.764 2
1 817 . 1 1 A 72 72 LYS H H 72 8.298 9.303 -1.005 2
1 818 . 1 1 A 72 72 LYS HA H 72 4.631 4.709 -0.078 2
1 827 . 1 1 A 72 72 LYS C C 72 174.599 175.417 -0.818 2
1 828 . 1 1 A 72 72 LYS CA C 72 53.851 54.033 -0.182 2
1 829 . 1 1 A 72 72 LYS CB C 72 33.619 34.096 -0.477 2
1 833 . 1 1 A 72 72 LYS N N 72 121.340 122.341 -1.001 2
1 834 . 1 1 A 73 73 PRO HA H 73 5.086 4.710 0.376 2
1 841 . 1 1 A 73 73 PRO C C 73 178.198 177.261 0.937 2
1 842 . 1 1 A 73 73 PRO CA C 73 62.897 63.462 -0.565 2
1 843 . 1 1 A 73 73 PRO CB C 73 33.198 32.156 1.042 2
1 846 . 1 1 A 74 74 ASP H H 74 7.537 8.970 -1.433 2
1 847 . 1 1 A 74 74 ASP HA H 74 4.290 4.277 0.013 2
1 850 . 1 1 A 74 74 ASP C C 74 174.390 174.707 -0.317 2
1 851 . 1 1 A 74 74 ASP CA C 74 54.343 55.149 -0.806 2
1 852 . 1 1 A 74 74 ASP CB C 74 41.393 39.738 1.655 2
1 853 . 1 1 A 74 74 ASP N N 74 126.834 121.537 5.297 2
1 854 . 1 1 A 75 75 THR H H 75 8.197 7.249 0.948 2
1 855 . 1 1 A 75 75 THR HA H 75 4.316 4.856 -0.540 2
1 860 . 1 1 A 75 75 THR C C 75 172.076 173.480 -1.404 2
1 861 . 1 1 A 75 75 THR CA C 75 63.087 61.284 1.803 2
1 862 . 1 1 A 75 75 THR CB C 75 71.822 72.366 -0.544 2
1 864 . 1 1 A 75 75 THR N N 75 113.905 112.387 1.518 2
1 865 . 1 1 A 76 76 THR H H 76 8.606 8.766 -0.160 2
1 866 . 1 1 A 76 76 THR HA H 76 4.641 4.418 0.223 2
1 871 . 1 1 A 76 76 THR C C 76 172.308 173.969 -1.661 2
1 872 . 1 1 A 76 76 THR CA C 76 63.197 63.450 -0.253 2
1 873 . 1 1 A 76 76 THR CB C 76 68.333 69.217 -0.884 2
1 875 . 1 1 A 76 76 THR N N 76 124.170 121.340 2.830 2
1 876 . 1 1 A 77 77 TYR H H 77 9.230 8.892 0.338 2
1 877 . 1 1 A 77 77 TYR HA H 77 5.084 5.071 0.013 2
1 884 . 1 1 A 77 77 TYR C C 77 174.065 174.410 -0.345 2
1 885 . 1 1 A 77 77 TYR CA C 77 57.443 56.344 1.099 2
1 886 . 1 1 A 77 77 TYR CB C 77 41.115 40.078 1.037 2
1 891 . 1 1 A 77 77 TYR N N 77 125.729 126.215 -0.486 2
1 892 . 1 1 A 78 78 ASP H H 78 9.222 9.315 -0.093 2
1 893 . 1 1 A 78 78 ASP HA H 78 5.288 4.809 0.479 2
1 896 . 1 1 A 78 78 ASP C C 78 176.268 174.813 1.455 2
1 897 . 1 1 A 78 78 ASP CA C 78 53.565 54.247 -0.682 2
1 898 . 1 1 A 78 78 ASP CB C 78 44.874 40.837 4.037 2
1 899 . 1 1 A 78 78 ASP N N 78 124.016 125.586 -1.570 2
1 900 . 1 1 A 79 79 ILE H H 79 9.210 8.708 0.502 2
1 901 . 1 1 A 79 79 ILE HA H 79 5.027 5.345 -0.318 2
1 911 . 1 1 A 79 79 ILE C C 79 172.968 174.815 -1.847 2
1 912 . 1 1 A 79 79 ILE CA C 79 61.102 59.945 1.157 2
1 913 . 1 1 A 79 79 ILE CB C 79 41.830 40.189 1.641 2
1 917 . 1 1 A 79 79 ILE N N 79 127.527 127.333 0.194 2
1 918 . 1 1 A 80 80 LYS H H 80 8.930 9.264 -0.334 2
1 919 . 1 1 A 80 80 LYS HA H 80 4.282 5.108 -0.826 2
1 928 . 1 1 A 80 80 LYS C C 80 173.716 174.313 -0.597 2
1 929 . 1 1 A 80 80 LYS CA C 80 54.749 54.013 0.736 2
1 930 . 1 1 A 80 80 LYS CB C 80 37.864 36.757 1.107 2
1 934 . 1 1 A 80 80 LYS N N 80 122.620 124.575 -1.955 2
1 935 . 1 1 A 81 81 VAL H H 81 8.070 8.828 -0.757 2
1 936 . 1 1 A 81 81 VAL HA H 81 5.365 4.931 0.434 2
1 944 . 1 1 A 81 81 VAL C C 81 174.099 173.585 0.514 2
1 945 . 1 1 A 81 81 VAL CA C 81 59.228 59.474 -0.246 2
1 946 . 1 1 A 81 81 VAL CB C 81 36.108 35.029 1.079 2
1 949 . 1 1 A 81 81 VAL N N 81 115.045 119.114 -4.069 2
1 950 . 1 1 A 82 82 ARG H H 82 8.733 8.880 -0.147 2
1 951 . 1 1 A 82 82 ARG HA H 82 4.984 5.096 -0.112 2
1 959 . 1 1 A 82 82 ARG C C 82 172.874 174.433 -1.559 2
1 960 . 1 1 A 82 82 ARG CA C 82 53.552 54.823 -1.271 2
1 961 . 1 1 A 82 82 ARG CB C 82 34.521 33.975 0.546 2
1 964 . 1 1 A 82 82 ARG N N 82 122.032 123.269 -1.237 2
1 966 . 1 1 A 83 83 ALA H H 83 9.221 8.564 0.657 2
1 967 . 1 1 A 83 83 ALA HA H 83 5.132 4.049 1.083 2
1 971 . 1 1 A 83 83 ALA C C 83 174.998 176.864 -1.866 2
1 972 . 1 1 A 83 83 ALA CA C 83 50.383 51.715 -1.332 2
1 973 . 1 1 A 83 83 ALA CB C 83 23.472 19.827 3.645 2
1 974 . 1 1 A 83 83 ALA N N 83 124.044 125.224 -1.180 2
1 975 . 1 1 A 84 84 TRP H H 84 8.387 8.721 -0.334 2
1 976 . 1 1 A 84 84 TRP HA H 84 5.020 5.348 -0.328 2
1 985 . 1 1 A 84 84 TRP C C 84 177.430 175.513 1.917 2
1 986 . 1 1 A 84 84 TRP CA C 84 56.807 56.148 0.659 2
1 987 . 1 1 A 84 84 TRP CB C 84 31.235 32.752 -1.518 2
1 993 . 1 1 A 84 84 TRP N N 84 117.779 120.506 -2.727 2
1 995 . 1 1 A 85 85 THR H H 85 8.698 8.893 -0.195 2
1 996 . 1 1 A 85 85 THR HA H 85 5.190 5.181 0.009 2
1 1001 . 1 1 A 85 85 THR C C 85 176.429 175.815 0.614 2
1 1002 . 1 1 A 85 85 THR CA C 85 59.958 59.915 0.043 2
1 1003 . 1 1 A 85 85 THR CB C 85 72.646 71.856 0.790 2
1 1005 . 1 1 A 85 85 THR N N 85 111.404 113.496 -2.092 2
1 1006 . 1 1 A 86 86 SER H H 86 9.765 9.173 0.592 2
1 1007 . 1 1 A 86 86 SER HA H 86 4.242 4.163 0.079 2
1 1010 . 1 1 A 86 86 SER C C 86 174.834 176.464 -1.630 2
1 1011 . 1 1 A 86 86 SER CA C 86 61.014 61.492 -0.478 2
1 1012 . 1 1 A 86 86 SER CB C 86 62.807 62.806 0.000 2
1 1013 . 1 1 A 86 86 SER N N 86 115.745 117.571 -1.826 2
1 1014 . 1 1 A 87 87 LYS H H 87 7.947 7.817 0.130 2
1 1015 . 1 1 A 87 87 LYS HA H 87 4.426 4.243 0.183 2
1 1024 . 1 1 A 87 87 LYS C C 87 176.373 176.981 -0.608 2
1 1025 . 1 1 A 87 87 LYS CA C 87 55.857 58.550 -2.693 2
1 1026 . 1 1 A 87 87 LYS CB C 87 33.386 33.114 0.272 2
1 1030 . 1 1 A 87 87 LYS N N 87 118.254 119.248 -0.994 2
1 1031 . 1 1 A 88 88 GLY H H 88 7.400 6.996 0.404 2
1 1032 . 1 1 A 88 88 GLY HA2 H 88 4.446 4.095 0.351 2
1 1033 . 1 1 A 88 88 GLY HA3 H 88 3.990 4.224 -0.234 2
1 1034 . 1 1 A 88 88 GLY C C 88 171.366 171.763 -0.397 2
1 1035 . 1 1 A 88 88 GLY CA C 88 45.006 46.097 -1.091 2
1 1036 . 1 1 A 88 88 GLY N N 88 106.086 104.091 1.995 2
1 1037 . 1 1 A 89 89 SER H H 89 8.048 8.351 -0.303 2
1 1038 . 1 1 A 89 89 SER HA H 89 3.899 4.564 -0.665 2
1 1041 . 1 1 A 89 89 SER CA C 89 56.522 55.497 1.025 2
1 1042 . 1 1 A 89 89 SER CB C 89 63.965 65.068 -1.103 2
1 1043 . 1 1 A 89 89 SER N N 89 113.549 116.349 -2.800 2
1 1044 . 1 1 A 90 90 GLY H H 90 8.282 7.909 0.373 2
1 1045 . 1 1 A 90 90 GLY HA2 H 90 4.637 4.032 0.605 2
1 1046 . 1 1 A 90 90 GLY HA3 H 90 3.696 4.042 -0.346 2
1 1047 . 1 1 A 90 90 GLY CA C 90 44.399 44.169 0.230 2
1 1048 . 1 1 A 90 90 GLY N N 90 109.030 108.397 0.633 2
1 1049 . 1 1 A 91 91 PRO HA H 91 4.448 4.546 -0.098 2
1 1056 . 1 1 A 91 91 PRO C C 91 177.760 175.115 2.645 2
1 1057 . 1 1 A 91 91 PRO CA C 91 62.229 62.544 -0.315 2
1 1058 . 1 1 A 91 91 PRO CB C 91 32.367 33.197 -0.830 2
1 1061 . 1 1 A 92 92 LEU H H 92 8.373 8.331 0.042 2
1 1062 . 1 1 A 92 92 LEU HA H 92 4.110 4.735 -0.625 2
1 1072 . 1 1 A 92 92 LEU C C 92 176.841 176.422 0.419 2
1 1073 . 1 1 A 92 92 LEU CA C 92 55.163 53.509 1.654 2
1 1074 . 1 1 A 92 92 LEU CB C 92 43.188 43.540 -0.352 2
1 1078 . 1 1 A 92 92 LEU N N 92 121.096 121.987 -0.892 2
1 1079 . 1 1 A 93 93 SER H H 93 8.629 9.169 -0.540 2
1 1080 . 1 1 A 93 93 SER HA H 93 3.683 4.287 -0.604 2
1 1083 . 1 1 A 93 93 SER C C 93 171.637 173.684 -2.047 2
1 1084 . 1 1 A 93 93 SER CA C 93 56.900 56.923 -0.023 2
1 1085 . 1 1 A 93 93 SER CB C 93 62.923 62.792 0.131 2
1 1086 . 1 1 A 93 93 SER N N 93 116.072 121.083 -5.011 2
1 1087 . 1 1 A 94 94 PRO HA H 94 4.330 4.507 -0.177 2
1 1094 . 1 1 A 94 94 PRO C C 94 178.093 177.143 0.950 2
1 1095 . 1 1 A 94 94 PRO CA C 94 63.309 62.629 0.680 2
1 1096 . 1 1 A 94 94 PRO CB C 94 31.463 31.737 -0.274 2
1 1099 . 1 1 A 95 95 SER H H 95 8.722 8.359 0.363 2
1 1100 . 1 1 A 95 95 SER HA H 95 4.923 4.879 0.044 2
1 1103 . 1 1 A 95 95 SER C C 95 176.215 175.346 0.869 2
1 1104 . 1 1 A 95 95 SER CA C 95 58.955 58.148 0.807 2
1 1105 . 1 1 A 95 95 SER CB C 95 64.884 64.247 0.637 2
1 1106 . 1 1 A 95 95 SER N N 95 122.184 115.346 6.839 2
1 1107 . 1 1 A 96 96 ILE H H 96 8.915 8.506 0.409 2
1 1108 . 1 1 A 96 96 ILE HA H 96 4.609 4.504 0.105 2
1 1118 . 1 1 A 96 96 ILE C C 96 174.546 176.338 -1.792 2
1 1119 . 1 1 A 96 96 ILE CA C 96 59.782 61.163 -1.381 2
1 1120 . 1 1 A 96 96 ILE CB C 96 40.995 39.837 1.158 2
1 1124 . 1 1 A 96 96 ILE N N 96 115.463 119.969 -4.506 2
1 1125 . 1 1 A 97 97 GLN H H 97 8.292 7.789 0.503 2
1 1126 . 1 1 A 97 97 GLN HA H 97 5.849 4.028 1.821 2
1 1133 . 1 1 A 97 97 GLN C C 97 176.173 174.574 1.599 2
1 1134 . 1 1 A 97 97 GLN CA C 97 54.361 56.898 -2.537 2
1 1135 . 1 1 A 97 97 GLN CB C 97 31.102 26.462 4.640 2
1 1137 . 1 1 A 97 97 GLN N N 97 117.686 117.923 -0.237 2
1 1139 . 1 1 A 98 98 SER H H 98 8.751 7.755 0.996 2
1 1140 . 1 1 A 98 98 SER HA H 98 4.618 4.550 0.068 2
1 1143 . 1 1 A 98 98 SER C C 98 172.310 173.527 -1.217 2
1 1144 . 1 1 A 98 98 SER CA C 98 57.019 58.113 -1.094 2
1 1145 . 1 1 A 98 98 SER CB C 98 64.588 63.445 1.143 2
1 1146 . 1 1 A 98 98 SER N N 98 115.969 113.272 2.697 2
1 1147 . 1 1 A 99 99 ARG H H 99 8.519 8.772 -0.253 2
1 1148 . 1 1 A 99 99 ARG HA H 99 5.627 5.031 0.596 2
1 1156 . 1 1 A 99 99 ARG C C 99 176.394 175.910 0.484 2
1 1157 . 1 1 A 99 99 ARG CA C 99 53.705 55.930 -2.225 2
1 1158 . 1 1 A 99 99 ARG CB C 99 32.853 31.076 1.777 2
1 1161 . 1 1 A 99 99 ARG N N 99 132.343 129.423 2.920 2
1 1163 . 1 1 A 100 100 THR H H 100 8.808 8.278 0.530 2
1 1164 . 1 1 A 100 100 THR HA H 100 4.182 4.300 -0.118 2
1 1169 . 1 1 A 100 100 THR C C 100 175.465 174.438 1.027 2
1 1170 . 1 1 A 100 100 THR CA C 100 61.701 62.537 -0.836 2
1 1171 . 1 1 A 100 100 THR CB C 100 69.515 69.963 -0.448 2
1 1173 . 1 1 A 100 100 THR N N 100 116.147 118.376 -2.229 2
1 1174 . 1 1 A 101 101 MET H H 101 7.254 8.513 -1.259 2
1 1175 . 1 1 A 101 101 MET HA H 101 4.504 4.672 -0.168 2
1 1183 . 1 1 A 101 101 MET C C 101 174.574 175.357 -0.783 2
1 1184 . 1 1 A 101 101 MET CA C 101 54.324 54.019 0.305 2
1 1185 . 1 1 A 101 101 MET CB C 101 32.235 32.397 -0.162 2
1 1188 . 1 1 A 101 101 MET N N 101 117.475 121.094 -3.619 2
1 1189 . 1 1 A 102 102 PRO HA H 102 4.647 4.713 -0.066 2
1 1196 . 1 1 A 102 102 PRO CA C 102 62.553 62.481 0.072 2
1 1197 . 1 1 A 102 102 PRO CB C 102 32.011 30.860 1.151 2
stop_
save_