data_15636_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15636
_Entry.PDB_ID 2K04
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 3 . 1 1 1 A 4 4 PRO HA H 2 4.509 4.705 -0.196 1
1 10 . 1 1 1 A 4 4 PRO C C 2 177.132 176.224 0.908 1
1 11 . 1 1 1 A 4 4 PRO CA C 2 63.529 62.762 0.767 1
1 12 . 1 1 1 A 4 4 PRO CB C 2 32.476 31.823 0.653 1
1 15 . 1 1 1 A 5 5 VAL H H 3 8.201 8.225 -0.024 1
1 16 . 1 1 1 A 5 5 VAL HA H 3 4.152 4.724 -0.572 1
1 24 . 1 1 1 A 5 5 VAL C C 3 176.423 174.710 1.713 1
1 25 . 1 1 1 A 5 5 VAL CA C 3 62.873 59.249 3.624 1
1 26 . 1 1 1 A 5 5 VAL CB C 3 33.455 34.459 -1.004 1
1 28 . 1 1 1 A 5 5 VAL N N 3 120.488 117.521 2.967 1
1 29 . 1 1 1 A 6 6 SER H H 4 8.276 9.017 -0.741 1
1 30 . 1 1 1 A 6 6 SER HA H 4 4.494 4.479 0.015 1
1 33 . 1 1 1 A 6 6 SER C C 4 174.687 174.163 0.524 1
1 34 . 1 1 1 A 6 6 SER CA C 4 58.375 57.885 0.490 1
1 35 . 1 1 1 A 6 6 SER CB C 4 64.295 60.963 3.332 1
1 36 . 1 1 1 A 6 6 SER N N 4 119.000 121.629 -2.629 1
1 37 . 1 1 1 A 7 7 LEU H H 5 8.238 8.790 -0.552 1
1 38 . 1 1 1 A 7 7 LEU HA H 5 4.406 4.428 -0.022 1
1 44 . 1 1 1 A 7 7 LEU C C 5 177.406 176.049 1.357 1
1 45 . 1 1 1 A 7 7 LEU CA C 5 55.766 55.960 -0.194 1
1 46 . 1 1 1 A 7 7 LEU CB C 5 43.083 45.229 -2.146 1
1 48 . 1 1 1 A 7 7 LEU N N 5 124.704 128.733 -4.029 1
1 49 . 1 1 1 A 8 8 SER H H 6 8.148 7.692 0.456 1
1 50 . 1 1 1 A 8 8 SER HA H 6 4.438 4.310 0.128 1
1 53 . 1 1 1 A 8 8 SER C C 6 174.321 173.694 0.627 1
1 54 . 1 1 1 A 8 8 SER CA C 6 58.718 57.275 1.443 1
1 55 . 1 1 1 A 8 8 SER CB C 6 64.295 65.108 -0.813 1
1 56 . 1 1 1 A 8 8 SER N N 6 115.960 111.067 4.893 1
1 57 . 1 1 1 A 9 9 TYR H H 7 7.954 8.945 -0.991 1
1 58 . 1 1 1 A 9 9 TYR HA H 7 4.585 4.993 -0.408 1
1 65 . 1 1 1 A 9 9 TYR C C 7 175.532 174.682 0.850 1
1 66 . 1 1 1 A 9 9 TYR CA C 7 58.335 57.431 0.904 1
1 67 . 1 1 1 A 9 9 TYR CB C 7 39.474 38.398 1.076 1
1 70 . 1 1 1 A 9 9 TYR N N 7 121.884 121.372 0.512 1
1 71 . 1 1 1 A 10 10 ARG H H 8 8.117 8.834 -0.717 1
1 72 . 1 1 1 A 10 10 ARG HA H 8 4.349 5.029 -0.680 1
1 79 . 1 1 1 A 10 10 ARG C C 8 175.898 174.526 1.372 1
1 80 . 1 1 1 A 10 10 ARG CA C 8 56.048 54.502 1.546 1
1 81 . 1 1 1 A 10 10 ARG CB C 8 31.492 32.988 -1.496 1
1 84 . 1 1 1 A 10 10 ARG N N 8 121.977 125.751 -3.774 1
1 85 . 1 1 1 A 11 11 CYS H H 9 8.127 8.734 -0.607 1
1 86 . 1 1 1 A 11 11 CYS HA H 9 5.004 5.084 -0.080 1
1 89 . 1 1 1 A 11 11 CYS C C 9 177.771 173.674 4.097 1
1 90 . 1 1 1 A 11 11 CYS CA C 9 53.192 54.487 -1.295 1
1 91 . 1 1 1 A 11 11 CYS CB C 9 40.897 43.596 -2.699 1
1 92 . 1 1 1 A 11 11 CYS N N 9 121.209 125.373 -4.164 1
1 93 . 1 1 1 A 12 12 PRO HA H 10 4.340 4.269 0.071 1
1 100 . 1 1 1 A 12 12 PRO CA C 10 65.478 65.001 0.477 1
1 101 . 1 1 1 A 12 12 PRO CB C 10 32.904 31.309 1.595 1
1 104 . 1 1 1 A 13 13 CYS H H 11 8.662 8.247 0.415 1
1 105 . 1 1 1 A 13 13 CYS C C 11 174.618 173.663 0.955 1
1 106 . 1 1 1 A 13 13 CYS N N 11 114.595 116.129 -1.534 1
1 107 . 1 1 1 A 14 14 ARG H H 12 8.236 8.608 -0.372 1
1 108 . 1 1 1 A 14 14 ARG HA H 12 4.075 4.126 -0.051 1
1 115 . 1 1 1 A 14 14 ARG C C 12 175.098 175.432 -0.334 1
1 116 . 1 1 1 A 14 14 ARG CA C 12 57.370 57.897 -0.527 1
1 117 . 1 1 1 A 14 14 ARG CB C 12 31.631 31.285 0.346 1
1 120 . 1 1 1 A 14 14 ARG N N 12 122.779 127.836 -5.057 1
1 121 . 1 1 1 A 15 15 PHE H H 13 7.603 7.730 -0.127 1
1 122 . 1 1 1 A 15 15 PHE HA H 13 4.515 5.262 -0.747 1
1 129 . 1 1 1 A 15 15 PHE C C 13 174.162 174.865 -0.703 1
1 130 . 1 1 1 A 15 15 PHE CA C 13 56.289 56.119 0.170 1
1 131 . 1 1 1 A 15 15 PHE CB C 13 41.320 43.145 -1.825 1
1 134 . 1 1 1 A 15 15 PHE N N 13 116.797 115.140 1.657 1
1 135 . 1 1 1 A 16 16 PHE H H 14 8.112 8.890 -0.778 1
1 136 . 1 1 1 A 16 16 PHE HA H 14 4.783 5.708 -0.925 1
1 143 . 1 1 1 A 16 16 PHE C C 14 175.441 172.917 2.524 1
1 144 . 1 1 1 A 16 16 PHE CA C 14 55.767 55.077 0.690 1
1 145 . 1 1 1 A 16 16 PHE CB C 14 41.320 42.640 -1.320 1
1 148 . 1 1 1 A 16 16 PHE N N 14 118.930 118.096 0.834 1
1 149 . 1 1 1 A 17 17 GLU H H 15 8.820 9.719 -0.899 1
1 150 . 1 1 1 A 17 17 GLU HA H 15 4.616 4.696 -0.080 1
1 155 . 1 1 1 A 17 17 GLU C C 15 176.857 176.490 0.367 1
1 156 . 1 1 1 A 17 17 GLU CA C 15 56.289 56.589 -0.300 1
1 157 . 1 1 1 A 17 17 GLU CB C 15 31.173 30.337 0.836 1
1 159 . 1 1 1 A 17 17 GLU N N 15 122.825 120.890 1.935 1
1 160 . 1 1 1 A 18 18 SER H H 16 8.746 8.918 -0.172 1
1 161 . 1 1 1 A 18 18 SER HA H 16 4.759 5.053 -0.294 1
1 164 . 1 1 1 A 18 18 SER C C 16 177.497 174.553 2.944 1
1 165 . 1 1 1 A 18 18 SER CA C 16 59.328 57.368 1.960 1
1 166 . 1 1 1 A 18 18 SER CB C 16 64.515 64.787 -0.272 1
1 167 . 1 1 1 A 18 18 SER N N 16 118.860 119.016 -0.156 1
1 168 . 1 1 1 A 19 19 HIS H H 17 8.761 8.454 0.307 1
1 169 . 1 1 1 A 19 19 HIS HA H 17 4.859 4.223 0.636 1
1 174 . 1 1 1 A 19 19 HIS C C 17 174.618 174.225 0.393 1
1 175 . 1 1 1 A 19 19 HIS CA C 17 56.449 57.218 -0.769 1
1 176 . 1 1 1 A 19 19 HIS CB C 17 29.870 26.694 3.176 1
1 179 . 1 1 1 A 19 19 HIS N N 17 120.535 116.629 3.906 1
1 180 . 1 1 1 A 20 20 VAL H H 18 7.211 8.017 -0.806 1
1 181 . 1 1 1 A 20 20 VAL HA H 18 4.160 4.062 0.098 1
1 189 . 1 1 1 A 20 20 VAL C C 18 174.436 175.076 -0.640 1
1 190 . 1 1 1 A 20 20 VAL CA C 18 62.167 62.676 -0.509 1
1 191 . 1 1 1 A 20 20 VAL CB C 18 34.426 32.967 1.459 1
1 193 . 1 1 1 A 20 20 VAL N N 18 120.872 119.453 1.419 1
1 194 . 1 1 1 A 21 21 ALA H H 19 8.535 8.683 -0.148 1
1 195 . 1 1 1 A 21 21 ALA HA H 19 4.402 4.329 0.073 1
1 199 . 1 1 1 A 21 21 ALA C C 19 177.657 178.137 -0.480 1
1 200 . 1 1 1 A 21 21 ALA CA C 19 51.193 51.873 -0.680 1
1 201 . 1 1 1 A 21 21 ALA CB C 19 19.790 19.154 0.636 1
1 202 . 1 1 1 A 21 21 ALA N N 19 131.339 129.488 1.851 1
1 203 . 1 1 1 A 22 22 ARG H H 20 7.815 8.405 -0.590 1
1 204 . 1 1 1 A 22 22 ARG HA H 20 2.495 3.565 -1.070 1
1 211 . 1 1 1 A 22 22 ARG C C 20 178.365 177.402 0.963 1
1 212 . 1 1 1 A 22 22 ARG CA C 20 59.379 58.056 1.323 1
1 213 . 1 1 1 A 22 22 ARG CB C 20 29.572 29.407 0.165 1
1 216 . 1 1 1 A 22 22 ARG N N 20 124.365 124.366 -0.001 1
1 217 . 1 1 1 A 23 23 ALA H H 21 8.135 7.594 0.541 1
1 218 . 1 1 1 A 23 23 ALA HA H 21 4.070 4.090 -0.020 1
1 222 . 1 1 1 A 23 23 ALA C C 21 178.000 178.102 -0.102 1
1 223 . 1 1 1 A 23 23 ALA CA C 21 54.100 53.822 0.278 1
1 224 . 1 1 1 A 23 23 ALA CB C 21 18.713 18.276 0.437 1
1 225 . 1 1 1 A 23 23 ALA N N 21 117.156 121.712 -4.556 1
1 226 . 1 1 1 A 24 24 ASN H H 22 7.712 7.808 -0.096 1
1 227 . 1 1 1 A 24 24 ASN HA H 22 5.008 4.782 0.226 1
1 232 . 1 1 1 A 24 24 ASN C C 22 174.938 175.081 -0.143 1
1 233 . 1 1 1 A 24 24 ASN CA C 22 52.869 53.021 -0.152 1
1 234 . 1 1 1 A 24 24 ASN CB C 22 40.573 39.159 1.414 1
1 235 . 1 1 1 A 24 24 ASN N N 22 112.819 115.291 -2.472 1
1 237 . 1 1 1 A 25 25 VAL H H 23 7.508 7.246 0.262 1
1 238 . 1 1 1 A 25 25 VAL HA H 23 4.896 4.344 0.552 1
1 246 . 1 1 1 A 25 25 VAL C C 23 175.829 175.356 0.473 1
1 247 . 1 1 1 A 25 25 VAL CA C 23 59.870 60.687 -0.817 1
1 248 . 1 1 1 A 25 25 VAL CB C 23 35.396 33.306 2.090 1
1 251 . 1 1 1 A 25 25 VAL N N 23 119.721 119.574 0.147 1
1 252 . 1 1 1 A 26 26 LYS H H 24 9.483 9.116 0.367 1
1 253 . 1 1 1 A 26 26 LYS HA H 24 4.350 4.353 -0.003 1
1 262 . 1 1 1 A 26 26 LYS C C 24 176.606 176.489 0.117 1
1 263 . 1 1 1 A 26 26 LYS CA C 24 58.977 57.414 1.563 1
1 264 . 1 1 1 A 26 26 LYS CB C 24 34.567 33.163 1.404 1
1 268 . 1 1 1 A 26 26 LYS N N 24 128.029 127.505 0.524 1
1 269 . 1 1 1 A 27 27 HIS H H 25 7.223 7.444 -0.221 1
1 270 . 1 1 1 A 27 27 HIS HA H 25 4.979 4.975 0.004 1
1 275 . 1 1 1 A 27 27 HIS C C 25 178.434 172.503 5.931 1
1 276 . 1 1 1 A 27 27 HIS CA C 25 55.406 54.757 0.649 1
1 277 . 1 1 1 A 27 27 HIS CB C 25 32.904 31.148 1.756 1
1 280 . 1 1 1 A 27 27 HIS N N 25 109.556 113.838 -4.282 1
1 281 . 1 1 1 A 28 28 LEU H H 26 8.149 8.844 -0.695 1
1 282 . 1 1 1 A 28 28 LEU HA H 26 5.190 5.128 0.062 1
1 292 . 1 1 1 A 28 28 LEU C C 26 175.510 175.118 0.392 1
1 293 . 1 1 1 A 28 28 LEU CA C 26 53.480 53.253 0.227 1
1 294 . 1 1 1 A 28 28 LEU CB C 26 45.235 44.647 0.588 1
1 298 . 1 1 1 A 28 28 LEU N N 26 117.106 119.898 -2.792 1
1 299 . 1 1 1 A 29 29 LYS H H 27 9.578 9.482 0.096 1
1 300 . 1 1 1 A 29 29 LYS HA H 27 5.385 4.925 0.460 1
1 309 . 1 1 1 A 29 29 LYS C C 27 174.801 174.889 -0.088 1
1 310 . 1 1 1 A 29 29 LYS CA C 27 55.165 54.675 0.490 1
1 311 . 1 1 1 A 29 29 LYS CB C 27 35.253 34.705 0.548 1
1 315 . 1 1 1 A 29 29 LYS N N 27 123.488 124.686 -1.198 1
1 316 . 1 1 1 A 30 30 ILE H H 28 9.133 9.013 0.120 1
1 317 . 1 1 1 A 30 30 ILE HA H 28 4.925 4.844 0.081 1
1 327 . 1 1 1 A 30 30 ILE C C 28 176.949 175.109 1.840 1
1 328 . 1 1 1 A 30 30 ILE CA C 28 60.542 59.708 0.834 1
1 329 . 1 1 1 A 30 30 ILE CB C 28 39.600 38.857 0.743 1
1 333 . 1 1 1 A 30 30 ILE N N 28 123.846 128.038 -4.192 1
1 334 . 1 1 1 A 31 31 LEU H H 29 8.830 9.245 -0.415 1
1 335 . 1 1 1 A 31 31 LEU HA H 29 4.533 5.054 -0.521 1
1 344 . 1 1 1 A 31 31 LEU C C 29 176.012 174.867 1.145 1
1 345 . 1 1 1 A 31 31 LEU CA C 29 55.406 53.495 1.911 1
1 346 . 1 1 1 A 31 31 LEU CB C 29 43.180 43.681 -0.501 1
1 349 . 1 1 1 A 31 31 LEU N N 29 128.649 126.500 2.149 1
1 350 . 1 1 1 A 32 32 ASN H H 30 8.211 8.978 -0.767 1
1 351 . 1 1 1 A 32 32 ASN HA H 30 5.014 4.993 0.021 1
1 356 . 1 1 1 A 32 32 ASN C C 30 174.664 174.389 0.275 1
1 357 . 1 1 1 A 32 32 ASN CA C 30 52.517 52.309 0.208 1
1 358 . 1 1 1 A 32 32 ASN CB C 30 38.776 38.762 0.014 1
1 359 . 1 1 1 A 32 32 ASN N N 30 120.791 125.000 -4.209 1
1 361 . 1 1 1 A 33 33 THR H H 31 7.896 8.890 -0.994 1
1 362 . 1 1 1 A 33 33 THR HA H 31 4.842 4.859 -0.017 1
1 367 . 1 1 1 A 33 33 THR CA C 31 58.369 59.863 -1.494 1
1 368 . 1 1 1 A 33 33 THR CB C 31 70.011 69.038 0.973 1
1 370 . 1 1 1 A 33 33 THR N N 31 115.811 116.903 -1.092 1
1 371 . 1 1 1 A 34 34 PRO HA H 32 4.317 4.330 -0.013 1
1 378 . 1 1 1 A 34 34 PRO CA C 32 65.164 65.795 -0.631 1
1 379 . 1 1 1 A 34 34 PRO CB C 32 32.484 32.048 0.436 1
1 382 . 1 1 1 A 35 35 ASN H H 33 8.256 8.358 -0.102 1
1 383 . 1 1 1 A 35 35 ASN HA H 33 4.651 4.714 -0.063 1
1 388 . 1 1 1 A 35 35 ASN C C 33 174.710 174.912 -0.202 1
1 389 . 1 1 1 A 35 35 ASN CA C 33 54.532 53.796 0.736 1
1 390 . 1 1 1 A 35 35 ASN CB C 33 39.167 38.700 0.467 1
1 391 . 1 1 1 A 35 35 ASN N N 33 120.081 114.516 5.565 1
1 393 . 1 1 1 A 36 36 CYS H H 34 7.548 7.786 -0.238 1
1 394 . 1 1 1 A 36 36 CYS HA H 34 4.693 4.902 -0.209 1
1 397 . 1 1 1 A 36 36 CYS C C 34 173.865 173.337 0.528 1
1 398 . 1 1 1 A 36 36 CYS CA C 34 55.447 54.723 0.724 1
1 399 . 1 1 1 A 36 36 CYS CB C 34 45.228 47.351 -2.123 1
1 400 . 1 1 1 A 36 36 CYS N N 34 117.076 116.365 0.711 1
1 401 . 1 1 1 A 37 37 ALA H H 35 8.469 8.416 0.053 1
1 402 . 1 1 1 A 37 37 ALA HA H 35 4.252 4.297 -0.045 1
1 406 . 1 1 1 A 37 37 ALA C C 35 176.423 177.106 -0.683 1
1 407 . 1 1 1 A 37 37 ALA CA C 35 53.537 51.968 1.569 1
1 408 . 1 1 1 A 37 37 ALA CB C 35 19.202 20.168 -0.966 1
1 409 . 1 1 1 A 37 37 ALA N N 35 125.153 124.957 0.196 1
1 410 . 1 1 1 A 38 38 CYS H H 36 8.315 8.413 -0.098 1
1 411 . 1 1 1 A 38 38 CYS HA H 36 4.211 4.258 -0.047 1
1 414 . 1 1 1 A 38 38 CYS C C 36 173.705 173.789 -0.084 1
1 415 . 1 1 1 A 38 38 CYS CA C 36 58.616 60.060 -1.444 1
1 416 . 1 1 1 A 38 38 CYS CB C 36 45.705 27.976 17.729 1
1 417 . 1 1 1 A 38 38 CYS N N 36 118.837 118.065 0.772 1
1 418 . 1 1 1 A 39 39 GLN H H 37 8.926 8.679 0.247 1
1 419 . 1 1 1 A 39 39 GLN HA H 37 4.609 5.031 -0.422 1
1 426 . 1 1 1 A 39 39 GLN C C 37 173.636 174.003 -0.367 1
1 427 . 1 1 1 A 39 39 GLN CA C 37 54.603 54.257 0.346 1
1 428 . 1 1 1 A 39 39 GLN CB C 37 31.761 32.365 -0.604 1
1 430 . 1 1 1 A 39 39 GLN N N 37 128.567 126.282 2.285 1
1 432 . 1 1 1 A 40 40 ILE H H 38 8.874 9.049 -0.175 1
1 433 . 1 1 1 A 40 40 ILE HA H 38 5.093 5.092 0.001 1
1 443 . 1 1 1 A 40 40 ILE C C 38 174.390 174.847 -0.457 1
1 444 . 1 1 1 A 40 40 ILE CA C 38 60.582 59.844 0.738 1
1 445 . 1 1 1 A 40 40 ILE CB C 38 40.048 41.220 -1.172 1
1 449 . 1 1 1 A 40 40 ILE N N 38 123.962 126.518 -2.556 1
1 450 . 1 1 1 A 41 41 VAL H H 39 9.120 9.531 -0.411 1
1 451 . 1 1 1 A 41 41 VAL HA H 39 4.905 4.907 -0.002 1
1 459 . 1 1 1 A 41 41 VAL C C 39 175.487 174.622 0.865 1
1 460 . 1 1 1 A 41 41 VAL CA C 39 59.980 60.991 -1.011 1
1 461 . 1 1 1 A 41 41 VAL CB C 39 35.868 33.879 1.989 1
1 464 . 1 1 1 A 41 41 VAL N N 39 126.354 127.012 -0.658 1
1 465 . 1 1 1 A 42 42 ALA H H 40 9.513 9.372 0.141 1
1 466 . 1 1 1 A 42 42 ALA HA H 40 5.154 5.393 -0.239 1
1 470 . 1 1 1 A 42 42 ALA C C 40 175.944 175.489 0.455 1
1 471 . 1 1 1 A 42 42 ALA CA C 40 50.591 50.086 0.505 1
1 472 . 1 1 1 A 42 42 ALA CB C 40 22.432 21.182 1.250 1
1 473 . 1 1 1 A 42 42 ALA N N 40 128.406 129.805 -1.399 1
1 474 . 1 1 1 A 43 43 ARG H H 41 7.706 9.025 -1.319 1
1 475 . 1 1 1 A 43 43 ARG HA H 41 4.978 4.977 0.001 1
1 482 . 1 1 1 A 43 43 ARG C C 41 175.510 175.564 -0.054 1
1 483 . 1 1 1 A 43 43 ARG CA C 41 54.162 55.176 -1.014 1
1 484 . 1 1 1 A 43 43 ARG CB C 41 31.200 32.181 -0.981 1
1 487 . 1 1 1 A 43 43 ARG N N 41 121.663 123.877 -2.214 1
1 488 . 1 1 1 A 44 44 LEU H H 42 9.164 9.468 -0.304 1
1 489 . 1 1 1 A 44 44 LEU HA H 42 5.023 4.944 0.079 1
1 499 . 1 1 1 A 44 44 LEU C C 42 177.840 177.149 0.691 1
1 500 . 1 1 1 A 44 44 LEU CA C 42 54.724 53.785 0.939 1
1 501 . 1 1 1 A 44 44 LEU CB C 42 41.712 42.535 -0.823 1
1 505 . 1 1 1 A 44 44 LEU N N 42 129.087 127.747 1.340 1
1 506 . 1 1 1 A 45 45 LYS H H 43 8.414 8.578 -0.164 1
1 507 . 1 1 1 A 45 45 LYS HA H 43 3.954 4.362 -0.408 1
1 516 . 1 1 1 A 45 45 LYS CA C 43 59.016 55.883 3.133 1
1 517 . 1 1 1 A 45 45 LYS CB C 43 34.102 33.283 0.819 1
1 520 . 1 1 1 A 45 45 LYS N N 43 119.674 120.907 -1.233 1
1 521 . 1 1 1 A 48 48 ASN HA H 46 4.723 5.319 -0.596 1
1 526 . 1 1 1 A 48 48 ASN C C 46 175.098 174.478 0.620 1
1 527 . 1 1 1 A 48 48 ASN CA C 46 54.764 51.713 3.051 1
1 528 . 1 1 1 A 48 48 ASN CB C 46 39.265 42.472 -3.207 1
1 530 . 1 1 1 A 49 49 ARG H H 47 7.914 8.654 -0.740 1
1 531 . 1 1 1 A 49 49 ARG HA H 47 4.352 4.559 -0.207 1
1 538 . 1 1 1 A 49 49 ARG C C 47 175.601 175.764 -0.163 1
1 539 . 1 1 1 A 49 49 ARG CA C 47 57.051 56.956 0.095 1
1 540 . 1 1 1 A 49 49 ARG CB C 47 32.121 31.998 0.123 1
1 543 . 1 1 1 A 49 49 ARG N N 47 119.826 118.508 1.318 1
1 544 . 1 1 1 A 50 50 GLN H H 48 8.542 7.747 0.795 1
1 545 . 1 1 1 A 50 50 GLN HA H 48 5.495 5.032 0.463 1
1 552 . 1 1 1 A 50 50 GLN C C 48 175.578 174.739 0.839 1
1 553 . 1 1 1 A 50 50 GLN CA C 48 55.125 54.507 0.618 1
1 554 . 1 1 1 A 50 50 GLN CB C 48 32.121 33.248 -1.127 1
1 556 . 1 1 1 A 50 50 GLN N N 48 120.767 115.352 5.415 1
1 558 . 1 1 1 A 51 51 VAL H H 49 8.649 8.805 -0.156 1
1 559 . 1 1 1 A 51 51 VAL HA H 49 4.833 4.867 -0.034 1
1 567 . 1 1 1 A 51 51 VAL C C 49 175.258 173.620 1.638 1
1 568 . 1 1 1 A 51 51 VAL CA C 49 59.338 59.071 0.267 1
1 569 . 1 1 1 A 51 51 VAL CB C 49 36.155 35.539 0.616 1
1 572 . 1 1 1 A 51 51 VAL N N 49 116.678 117.084 -0.406 1
1 573 . 1 1 1 A 52 52 CYS H H 50 9.099 9.171 -0.072 1
1 574 . 1 1 1 A 52 52 CYS HA H 50 5.308 5.345 -0.037 1
1 577 . 1 1 1 A 52 52 CYS C C 50 174.527 172.717 1.810 1
1 578 . 1 1 1 A 52 52 CYS CA C 50 58.054 54.242 3.812 1
1 579 . 1 1 1 A 52 52 CYS CB C 50 43.375 45.421 -2.046 1
1 580 . 1 1 1 A 52 52 CYS N N 50 124.549 120.787 3.762 1
1 581 . 1 1 1 A 53 53 ILE H H 51 8.479 9.772 -1.293 1
1 582 . 1 1 1 A 53 53 ILE HA H 51 4.974 4.885 0.089 1
1 592 . 1 1 1 A 53 53 ILE C C 51 173.019 174.973 -1.954 1
1 593 . 1 1 1 A 53 53 ILE CA C 51 58.897 59.998 -1.101 1
1 594 . 1 1 1 A 53 53 ILE CB C 51 42.201 40.623 1.578 1
1 598 . 1 1 1 A 53 53 ILE N N 51 122.581 127.259 -4.678 1
1 599 . 1 1 1 A 54 54 ASP H H 52 7.642 8.403 -0.761 1
1 600 . 1 1 1 A 54 54 ASP HA H 52 3.619 4.518 -0.899 1
1 603 . 1 1 1 A 54 54 ASP CA C 52 51.574 51.589 -0.015 1
1 604 . 1 1 1 A 54 54 ASP CB C 52 42.515 41.833 0.682 1
1 605 . 1 1 1 A 54 54 ASP N N 52 125.772 125.728 0.044 1
1 606 . 1 1 1 A 55 55 PRO HA H 53 4.023 4.337 -0.314 1
1 613 . 1 1 1 A 55 55 PRO C C 53 176.126 175.923 0.203 1
1 614 . 1 1 1 A 55 55 PRO CA C 53 63.993 63.712 0.281 1
1 615 . 1 1 1 A 55 55 PRO CB C 53 33.002 31.967 1.035 1
1 618 . 1 1 1 A 56 56 LYS H H 54 7.930 7.468 0.462 1
1 619 . 1 1 1 A 56 56 LYS HA H 54 4.000 4.478 -0.478 1
1 628 . 1 1 1 A 56 56 LYS C C 54 177.931 176.173 1.758 1
1 629 . 1 1 1 A 56 56 LYS CA C 54 56.770 55.875 0.895 1
1 630 . 1 1 1 A 56 56 LYS CB C 54 32.023 33.653 -1.630 1
1 634 . 1 1 1 A 56 56 LYS N N 54 112.924 119.953 -7.029 1
1 635 . 1 1 1 A 57 57 LEU H H 55 7.161 6.859 0.302 1
1 636 . 1 1 1 A 57 57 LEU HA H 55 4.065 4.045 0.020 1
1 646 . 1 1 1 A 57 57 LEU C C 55 179.416 177.594 1.822 1
1 647 . 1 1 1 A 57 57 LEU CA C 55 56.088 55.241 0.847 1
1 648 . 1 1 1 A 57 57 LEU CB C 55 42.397 41.430 0.967 1
1 652 . 1 1 1 A 57 57 LEU N N 55 120.593 121.766 -1.173 1
1 653 . 1 1 1 A 58 58 LYS H H 56 8.716 8.922 -0.206 1
1 654 . 1 1 1 A 58 58 LYS HA H 56 3.937 3.911 0.026 1
1 663 . 1 1 1 A 58 58 LYS C C 56 178.937 178.315 0.622 1
1 664 . 1 1 1 A 58 58 LYS CA C 56 60.301 59.629 0.672 1
1 665 . 1 1 1 A 58 58 LYS CB C 56 32.121 32.013 0.108 1
1 669 . 1 1 1 A 58 58 LYS N N 56 125.479 124.982 0.497 1
1 670 . 1 1 1 A 59 59 TRP H H 57 7.827 8.280 -0.453 1
1 671 . 1 1 1 A 59 59 TRP HA H 57 4.664 4.547 0.117 1
1 680 . 1 1 1 A 59 59 TRP C C 57 178.868 179.355 -0.487 1
1 681 . 1 1 1 A 59 59 TRP CA C 57 58.897 59.857 -0.960 1
1 682 . 1 1 1 A 59 59 TRP CB C 57 28.036 28.120 -0.084 1
1 688 . 1 1 1 A 59 59 TRP N N 57 113.433 119.085 -5.652 1
1 690 . 1 1 1 A 60 60 ILE H H 58 6.458 7.218 -0.760 1
1 691 . 1 1 1 A 60 60 ILE HA H 58 3.325 3.320 0.005 1
1 701 . 1 1 1 A 60 60 ILE C C 58 177.726 177.512 0.214 1
1 702 . 1 1 1 A 60 60 ILE CA C 58 64.314 64.381 -0.067 1
1 703 . 1 1 1 A 60 60 ILE CB C 58 35.897 36.490 -0.593 1
1 707 . 1 1 1 A 60 60 ILE N N 58 124.379 122.329 2.050 1
1 708 . 1 1 1 A 61 61 GLN H H 59 7.622 8.368 -0.746 1
1 709 . 1 1 1 A 61 61 GLN HA H 59 3.763 3.907 -0.144 1
1 716 . 1 1 1 A 61 61 GLN C C 59 178.434 179.158 -0.724 1
1 717 . 1 1 1 A 61 61 GLN CA C 59 59.379 59.180 0.199 1
1 718 . 1 1 1 A 61 61 GLN CB C 59 28.602 28.450 0.152 1
1 720 . 1 1 1 A 61 61 GLN N N 59 119.070 118.669 0.401 1
1 722 . 1 1 1 A 62 62 GLU H H 60 8.064 8.278 -0.214 1
1 723 . 1 1 1 A 62 62 GLU HA H 60 4.093 4.084 0.009 1
1 728 . 1 1 1 A 62 62 GLU C C 60 179.051 178.789 0.262 1
1 729 . 1 1 1 A 62 62 GLU CA C 60 59.659 59.269 0.390 1
1 730 . 1 1 1 A 62 62 GLU CB C 60 30.457 29.662 0.795 1
1 732 . 1 1 1 A 62 62 GLU N N 60 117.166 120.619 -3.453 1
1 733 . 1 1 1 A 63 63 TYR H H 61 7.913 7.756 0.157 1
1 734 . 1 1 1 A 63 63 TYR HA H 61 4.265 4.284 -0.019 1
1 741 . 1 1 1 A 63 63 TYR C C 61 178.617 177.591 1.026 1
1 742 . 1 1 1 A 63 63 TYR CA C 61 61.184 61.529 -0.345 1
1 743 . 1 1 1 A 63 63 TYR CB C 61 39.461 38.504 0.957 1
1 746 . 1 1 1 A 63 63 TYR N N 61 121.271 122.463 -1.192 1
1 747 . 1 1 1 A 64 64 LEU H H 62 8.252 9.014 -0.762 1
1 748 . 1 1 1 A 64 64 LEU HA H 62 3.977 3.922 0.055 1
1 758 . 1 1 1 A 64 64 LEU C C 62 179.553 179.173 0.380 1
1 759 . 1 1 1 A 64 64 LEU CA C 62 58.014 58.277 -0.263 1
1 760 . 1 1 1 A 64 64 LEU CB C 62 42.397 41.721 0.676 1
1 764 . 1 1 1 A 64 64 LEU N N 62 116.299 119.983 -3.684 1
1 765 . 1 1 1 A 65 65 GLU H H 63 8.453 8.194 0.259 1
1 766 . 1 1 1 A 65 65 GLU HA H 63 3.853 3.921 -0.068 1
1 771 . 1 1 1 A 65 65 GLU C C 63 179.279 179.578 -0.299 1
1 772 . 1 1 1 A 65 65 GLU CA C 63 60.301 59.772 0.529 1
1 773 . 1 1 1 A 65 65 GLU CB C 63 29.870 29.331 0.539 1
1 775 . 1 1 1 A 65 65 GLU N N 63 118.616 117.538 1.078 1
1 776 . 1 1 1 A 66 66 LYS H H 64 7.571 8.028 -0.457 1
1 777 . 1 1 1 A 66 66 LYS HA H 64 4.225 4.067 0.158 1
1 786 . 1 1 1 A 66 66 LYS C C 64 178.457 179.498 -1.041 1
1 787 . 1 1 1 A 66 66 LYS CA C 64 58.496 58.940 -0.444 1
1 788 . 1 1 1 A 66 66 LYS CB C 64 32.400 31.956 0.444 1
1 792 . 1 1 1 A 66 66 LYS N N 64 117.166 118.839 -1.673 1
1 793 . 1 1 1 A 67 67 CYS H H 65 7.916 7.736 0.180 1
1 794 . 1 1 1 A 67 67 CYS HA H 65 4.561 4.049 0.512 1
1 797 . 1 1 1 A 67 67 CYS C C 65 174.893 176.768 -1.875 1
1 798 . 1 1 1 A 67 67 CYS CA C 65 56.329 62.025 -5.696 1
1 799 . 1 1 1 A 67 67 CYS CB C 65 45.235 27.241 17.994 1
1 800 . 1 1 1 A 67 67 CYS N N 65 115.312 119.097 -3.785 1
1 801 . 1 1 1 A 68 68 LEU H H 66 7.556 7.078 0.478 1
1 802 . 1 1 1 A 68 68 LEU HA H 66 4.520 4.045 0.475 1
1 812 . 1 1 1 A 68 68 LEU C C 66 176.812 177.575 -0.763 1
1 813 . 1 1 1 A 68 68 LEU CA C 66 55.366 57.533 -2.167 1
1 814 . 1 1 1 A 68 68 LEU CB C 66 43.278 41.767 1.511 1
1 818 . 1 1 1 A 68 68 LEU N N 66 120.930 119.822 1.108 1
1 819 . 1 1 1 A 69 69 ASN H H 67 8.266 7.432 0.834 1
1 820 . 1 1 1 A 69 69 ASN HA H 67 4.681 4.950 -0.269 1
1 825 . 1 1 1 A 69 69 ASN CA C 67 53.761 53.111 0.650 1
1 826 . 1 1 1 A 69 69 ASN CB C 67 39.069 39.448 -0.379 1
1 827 . 1 1 1 A 69 69 ASN N N 67 120.279 114.098 6.181 1
1 852 . 1 2 2 B 4 4 GLU H H 102 8.376 7.962 0.414 1
1 853 . 1 2 2 B 4 4 GLU HA H 102 4.335 4.437 -0.102 1
1 858 . 1 2 2 B 4 4 GLU C C 102 177.132 176.396 0.736 1
1 859 . 1 2 2 B 4 4 GLU CA C 102 57.410 56.619 0.791 1
1 861 . 1 2 2 B 4 4 GLU N N 102 121.884 120.610 1.274 1
1 862 . 1 2 2 B 5 5 GLY H H 103 8.380 8.292 0.088 1
1 863 . 1 2 2 B 5 5 GLY HA2 H 103 4.003 4.193 -0.190 1
1 864 . 1 2 2 B 5 5 GLY HA3 H 103 4.003 4.204 -0.201 1
1 865 . 1 2 2 B 5 5 GLY C C 103 174.207 174.697 -0.490 1
1 866 . 1 2 2 B 5 5 GLY CA C 103 45.750 45.840 -0.090 1
1 867 . 1 2 2 B 5 5 GLY N N 103 110.055 109.995 0.060 1
1 868 . 1 2 2 B 6 6 ILE H H 104 7.851 8.565 -0.714 1
1 869 . 1 2 2 B 6 6 ILE HA H 104 4.305 3.868 0.437 1
1 879 . 1 2 2 B 6 6 ILE C C 104 176.401 175.862 0.539 1
1 880 . 1 2 2 B 6 6 ILE CA C 104 61.558 64.016 -2.458 1
1 881 . 1 2 2 B 6 6 ILE CB C 104 39.436 38.203 1.233 1
1 885 . 1 2 2 B 6 6 ILE N N 104 119.606 120.815 -1.209 1
1 886 . 1 2 2 B 7 7 SER H H 105 8.369 7.607 0.762 1
1 887 . 1 2 2 B 7 7 SER HA H 105 4.564 4.658 -0.094 1
1 890 . 1 2 2 B 7 7 SER C C 105 174.550 172.511 2.039 1
1 891 . 1 2 2 B 7 7 SER CA C 105 58.667 57.404 1.263 1
1 892 . 1 2 2 B 7 7 SER CB C 105 64.072 65.342 -1.270 1
1 893 . 1 2 2 B 7 7 SER N N 105 119.853 111.543 8.310 1
1 894 . 1 2 2 B 8 8 ILE H H 106 7.953 8.110 -0.157 1
1 895 . 1 2 2 B 8 8 ILE HA H 106 4.224 4.269 -0.045 1
1 905 . 1 2 2 B 8 8 ILE C C 106 175.921 175.209 0.712 1
1 906 . 1 2 2 B 8 8 ILE CA C 106 61.935 59.575 2.360 1
1 907 . 1 2 2 B 8 8 ILE CB C 106 39.436 38.683 0.753 1
1 911 . 1 2 2 B 8 8 ILE N N 106 121.730 120.796 0.934 1
1 912 . 1 2 2 B 9 9 TYR H H 107 8.171 8.056 0.115 1
1 913 . 1 2 2 B 9 9 TYR HA H 107 4.736 4.513 0.223 1
1 920 . 1 2 2 B 9 9 TYR C C 107 176.058 175.540 0.518 1
1 921 . 1 2 2 B 9 9 TYR CA C 107 58.165 59.468 -1.303 1
1 922 . 1 2 2 B 9 9 TYR CB C 107 39.436 38.675 0.761 1
1 925 . 1 2 2 B 9 9 TYR N N 107 123.598 122.052 1.546 1
1 926 . 1 2 2 B 10 10 THR H H 108 7.986 8.814 -0.828 1
1 927 . 1 2 2 B 10 10 THR HA H 108 4.452 4.579 -0.127 1
1 932 . 1 2 2 B 10 10 THR C C 108 174.459 175.205 -0.746 1
1 933 . 1 2 2 B 10 10 THR CA C 108 62.061 61.767 0.294 1
1 934 . 1 2 2 B 10 10 THR CB C 108 70.608 67.694 2.914 1
1 936 . 1 2 2 B 10 10 THR N N 108 115.642 121.377 -5.735 1
1 937 . 1 2 2 B 11 11 SER H H 109 8.193 8.602 -0.409 1
1 938 . 1 2 2 B 11 11 SER HA H 109 4.526 4.169 0.357 1
1 941 . 1 2 2 B 11 11 SER C C 109 174.504 174.502 0.002 1
1 942 . 1 2 2 B 11 11 SER CA C 109 58.919 59.018 -0.099 1
1 943 . 1 2 2 B 11 11 SER CB C 109 64.198 61.547 2.651 1
1 944 . 1 2 2 B 11 11 SER N N 109 117.597 120.068 -2.471 1
1 945 . 1 2 2 B 12 12 ASP H H 110 8.351 8.262 0.089 1
1 946 . 1 2 2 B 12 12 ASP HA H 110 4.650 4.380 0.270 1
1 949 . 1 2 2 B 12 12 ASP C C 110 176.058 176.007 0.051 1
1 950 . 1 2 2 B 12 12 ASP CA C 110 55.022 57.138 -2.116 1
1 951 . 1 2 2 B 12 12 ASP CB C 110 41.825 41.669 0.156 1
1 952 . 1 2 2 B 12 12 ASP N N 110 122.020 125.592 -3.572 1
1 953 . 1 2 2 B 13 13 ASN H H 111 8.230 8.219 0.011 1
1 954 . 1 2 2 B 13 13 ASN HA H 111 4.745 4.459 0.286 1
1 957 . 1 2 2 B 13 13 ASN C C 111 175.030 175.017 0.013 1
1 958 . 1 2 2 B 13 13 ASN CA C 111 53.765 53.933 -0.168 1
1 959 . 1 2 2 B 13 13 ASN CB C 111 39.562 36.942 2.620 1
1 960 . 1 2 2 B 13 13 ASN N N 111 118.317 117.151 1.166 1
1 961 . 1 2 2 B 14 14 TYR H H 112 8.101 8.347 -0.246 1
1 962 . 1 2 2 B 14 14 TYR HA H 112 4.645 5.119 -0.474 1
1 969 . 1 2 2 B 14 14 TYR C C 112 176.081 174.697 1.384 1
1 970 . 1 2 2 B 14 14 TYR CA C 112 58.793 57.414 1.379 1
1 971 . 1 2 2 B 14 14 TYR CB C 112 39.436 39.075 0.361 1
1 974 . 1 2 2 B 14 14 TYR N N 112 121.125 124.095 -2.970 1
1 975 . 1 2 2 B 15 15 THR H H 113 7.900 8.402 -0.502 1
1 976 . 1 2 2 B 15 15 THR HA H 113 4.332 4.385 -0.053 1
1 981 . 1 2 2 B 15 15 THR C C 113 174.413 173.835 0.578 1
1 982 . 1 2 2 B 15 15 THR CA C 113 62.187 62.470 -0.283 1
1 983 . 1 2 2 B 15 15 THR CB C 113 70.341 68.799 1.542 1
1 985 . 1 2 2 B 15 15 THR N N 113 116.394 122.345 -5.951 1
1 986 . 1 2 2 B 16 16 GLU H H 114 8.283 8.468 -0.185 1
1 987 . 1 2 2 B 16 16 GLU HA H 114 4.275 4.211 0.064 1
1 992 . 1 2 2 B 16 16 GLU C C 114 176.766 175.578 1.188 1
1 993 . 1 2 2 B 16 16 GLU CA C 114 57.410 56.660 0.750 1
1 994 . 1 2 2 B 16 16 GLU CB C 114 30.638 29.753 0.885 1
1 996 . 1 2 2 B 16 16 GLU N N 114 123.052 126.557 -3.505 1
1 997 . 1 2 2 B 17 17 GLU H H 115 8.370 8.777 -0.407 1
1 998 . 1 2 2 B 17 17 GLU HA H 115 4.325 4.618 -0.293 1
1 1003 . 1 2 2 B 17 17 GLU C C 115 176.880 175.427 1.453 1
1 1004 . 1 2 2 B 17 17 GLU CA C 115 57.410 54.788 2.622 1
1 1005 . 1 2 2 B 17 17 GLU CB C 115 30.512 30.697 -0.185 1
1 1007 . 1 2 2 B 17 17 GLU N N 115 121.688 125.732 -4.044 1
1 1008 . 1 2 2 B 18 18 MET H H 116 8.314 8.614 -0.300 1
1 1009 . 1 2 2 B 18 18 MET HA H 116 4.509 4.368 0.141 1
1 1014 . 1 2 2 B 18 18 MET C C 116 177.086 176.763 0.323 1
1 1015 . 1 2 2 B 18 18 MET CA C 116 56.279 56.485 -0.206 1
1 1016 . 1 2 2 B 18 18 MET CB C 116 33.026 31.447 1.579 1
1 1017 . 1 2 2 B 18 18 MET N N 116 121.270 126.950 -5.680 1
1 1018 . 1 2 2 B 19 19 GLY H H 117 8.384 8.480 -0.096 1
1 1019 . 1 2 2 B 19 19 GLY HA2 H 117 4.061 3.937 0.124 1
1 1020 . 1 2 2 B 19 19 GLY HA3 H 117 4.061 3.952 0.109 1
1 1021 . 1 2 2 B 19 19 GLY C C 117 174.481 173.971 0.510 1
1 1022 . 1 2 2 B 19 19 GLY CA C 117 45.847 45.361 0.486 1
1 1023 . 1 2 2 B 19 19 GLY N N 117 110.055 112.448 -2.393 1
1 1024 . 1 2 2 B 20 20 SER H H 118 8.250 7.951 0.299 1
1 1025 . 1 2 2 B 20 20 SER HA H 118 4.495 4.428 0.067 1
1 1028 . 1 2 2 B 20 20 SER C C 118 175.327 173.876 1.451 1
1 1029 . 1 2 2 B 20 20 SER CA C 118 58.919 60.815 -1.896 1
1 1030 . 1 2 2 B 20 20 SER CB C 118 64.575 62.077 2.498 1
1 1031 . 1 2 2 B 20 20 SER N N 118 115.664 112.320 3.344 1
1 1032 . 1 2 2 B 21 21 GLY H H 119 8.429 8.550 -0.121 1
1 1033 . 1 2 2 B 21 21 GLY HA2 H 119 4.000 4.113 -0.113 1
1 1034 . 1 2 2 B 21 21 GLY HA3 H 119 4.000 4.117 -0.117 1
1 1035 . 1 2 2 B 21 21 GLY C C 119 174.002 174.017 -0.015 1
1 1036 . 1 2 2 B 21 21 GLY CA C 119 45.721 45.508 0.213 1
1 1037 . 1 2 2 B 21 21 GLY N N 119 110.872 109.193 1.679 1
1 1038 . 1 2 2 B 22 22 ASP H H 120 8.127 8.369 -0.242 1
1 1039 . 1 2 2 B 22 22 ASP HA H 120 4.634 4.789 -0.155 1
1 1042 . 1 2 2 B 22 22 ASP C C 120 176.355 175.521 0.834 1
1 1043 . 1 2 2 B 22 22 ASP CA C 120 54.771 54.992 -0.221 1
1 1044 . 1 2 2 B 22 22 ASP CB C 120 41.699 39.830 1.869 1
1 1045 . 1 2 2 B 22 22 ASP N N 120 120.530 119.757 0.773 1
1 1046 . 1 2 2 B 23 23 TYR H H 121 8.097 8.871 -0.774 1
1 1047 . 1 2 2 B 23 23 TYR HA H 121 4.555 4.643 -0.088 1
1 1054 . 1 2 2 B 23 23 TYR C C 121 176.058 174.669 1.389 1
1 1055 . 1 2 2 B 23 23 TYR CA C 121 58.667 59.409 -0.742 1
1 1056 . 1 2 2 B 23 23 TYR CB C 121 39.311 40.350 -1.039 1
1 1059 . 1 2 2 B 23 23 TYR N N 121 120.584 125.535 -4.951 1
1 1060 . 1 2 2 B 24 24 ASP H H 122 8.224 8.221 0.003 1
1 1061 . 1 2 2 B 24 24 ASP HA H 122 4.621 4.869 -0.248 1
1 1064 . 1 2 2 B 24 24 ASP C C 122 176.835 175.341 1.494 1
1 1065 . 1 2 2 B 24 24 ASP CA C 122 55.022 54.209 0.813 1
1 1066 . 1 2 2 B 24 24 ASP CB C 122 41.825 43.475 -1.650 1
1 1067 . 1 2 2 B 24 24 ASP N N 122 121.815 118.460 3.355 1
1 1068 . 1 2 2 B 25 25 SER H H 123 8.137 8.714 -0.577 1
1 1069 . 1 2 2 B 25 25 SER HA H 123 4.394 4.260 0.134 1
1 1072 . 1 2 2 B 25 25 SER C C 123 175.075 173.084 1.991 1
1 1073 . 1 2 2 B 25 25 SER CA C 123 59.547 60.603 -1.056 1
1 1074 . 1 2 2 B 25 25 SER CB C 123 63.540 61.949 1.591 1
1 1075 . 1 2 2 B 25 25 SER N N 123 116.405 120.910 -4.505 1
1 1076 . 1 2 2 B 26 26 MET H H 124 8.221 8.289 -0.068 1
1 1077 . 1 2 2 B 26 26 MET HA H 124 4.500 5.108 -0.608 1
1 1082 . 1 2 2 B 26 26 MET C C 124 176.355 174.487 1.868 1
1 1083 . 1 2 2 B 26 26 MET CA C 124 56.279 54.060 2.219 1
1 1084 . 1 2 2 B 26 26 MET CB C 124 32.900 35.398 -2.498 1
1 1086 . 1 2 2 B 26 26 MET N N 124 121.210 117.983 3.227 1
1 1087 . 1 2 2 B 27 27 LYS H H 125 7.991 8.665 -0.674 1
1 1088 . 1 2 2 B 27 27 LYS HA H 125 4.352 4.802 -0.450 1
1 1097 . 1 2 2 B 27 27 LYS C C 125 176.355 173.674 2.681 1
1 1098 . 1 2 2 B 27 27 LYS CA C 125 56.656 55.406 1.250 1
1 1099 . 1 2 2 B 27 27 LYS CB C 125 33.529 36.474 -2.945 1
1 1103 . 1 2 2 B 27 27 LYS N N 125 121.457 120.294 1.163 1
1 1104 . 1 2 2 B 28 28 GLU H H 126 8.216 8.770 -0.554 1
1 1105 . 1 2 2 B 28 28 GLU N N 126 122.890 122.863 0.027 1
1 1106 . 1 2 2 B 29 29 PRO HA H 127 4.396 4.835 -0.439 1
1 1113 . 1 2 2 B 29 29 PRO C C 127 176.812 176.308 0.504 1
1 1114 . 1 2 2 B 29 29 PRO CA C 127 63.821 62.464 1.357 1
1 1115 . 1 2 2 B 29 29 PRO CB C 127 32.272 33.200 -0.928 1
1 1118 . 1 2 2 B 30 30 ALA H H 128 8.282 8.363 -0.081 1
1 1119 . 1 2 2 B 30 30 ALA HA H 128 4.316 4.490 -0.174 1
1 1123 . 1 2 2 B 30 30 ALA C C 128 177.589 178.385 -0.796 1
1 1124 . 1 2 2 B 30 30 ALA CA C 128 53.192 50.989 2.203 1
1 1125 . 1 2 2 B 30 30 ALA CB C 128 19.703 20.123 -0.420 1
1 1126 . 1 2 2 B 30 30 ALA N N 128 123.577 123.035 0.542 1
1 1127 . 1 2 2 B 31 31 PHE H H 129 8.035 8.135 -0.100 1
1 1128 . 1 2 2 B 31 31 PHE HA H 129 4.637 4.018 0.619 1
1 1135 . 1 2 2 B 31 31 PHE C C 129 175.624 174.927 0.697 1
1 1136 . 1 2 2 B 31 31 PHE CA C 129 58.039 62.317 -4.278 1
1 1137 . 1 2 2 B 31 31 PHE CB C 129 40.065 36.961 3.104 1
1 1140 . 1 2 2 B 31 31 PHE N N 129 118.994 113.464 5.530 1
1 1141 . 1 2 2 B 32 32 ARG H H 130 8.066 8.346 -0.280 1
1 1142 . 1 2 2 B 32 32 ARG HA H 130 4.351 4.300 0.051 1
1 1149 . 1 2 2 B 32 32 ARG C C 130 175.875 175.607 0.268 1
1 1150 . 1 2 2 B 32 32 ARG CA C 130 56.154 55.986 0.168 1
1 1151 . 1 2 2 B 32 32 ARG CB C 130 31.643 30.575 1.068 1
1 1154 . 1 2 2 B 32 32 ARG N N 130 123.094 120.670 2.424 1
1 1155 . 1 2 2 B 33 33 GLU H H 131 8.389 8.530 -0.141 1
1 1156 . 1 2 2 B 33 33 GLU HA H 131 4.295 4.209 0.086 1
1 1161 . 1 2 2 B 33 33 GLU C C 131 176.766 175.891 0.875 1
1 1162 . 1 2 2 B 33 33 GLU CA C 131 57.285 56.633 0.652 1
1 1163 . 1 2 2 B 33 33 GLU CB C 131 30.512 29.866 0.646 1
1 1165 . 1 2 2 B 33 33 GLU N N 131 122.719 124.347 -1.628 1
1 1166 . 1 2 2 B 34 34 GLU H H 132 8.526 8.446 0.080 1
1 1167 . 1 2 2 B 34 34 GLU HA H 132 4.321 4.691 -0.370 1
1 1172 . 1 2 2 B 34 34 GLU C C 132 176.560 176.224 0.336 1
1 1173 . 1 2 2 B 34 34 GLU CA C 132 57.400 55.112 2.288 1
1 1174 . 1 2 2 B 34 34 GLU CB C 132 30.512 31.575 -1.063 1
1 1176 . 1 2 2 B 34 34 GLU N N 132 122.122 123.880 -1.758 1
1 1177 . 1 2 2 B 35 35 ASN H H 133 8.379 8.829 -0.450 1
1 1178 . 1 2 2 B 35 35 ASN HA H 133 4.712 4.674 0.038 1
1 1181 . 1 2 2 B 35 35 ASN C C 133 175.258 175.034 0.224 1
1 1182 . 1 2 2 B 35 35 ASN CA C 133 53.765 55.476 -1.711 1
1 1183 . 1 2 2 B 35 35 ASN CB C 133 39.562 39.177 0.385 1
1 1184 . 1 2 2 B 35 35 ASN N N 133 119.552 126.080 -6.528 1
1 1185 . 1 2 2 B 36 36 ALA H H 134 8.175 7.714 0.461 1
1 1186 . 1 2 2 B 36 36 ALA HA H 134 4.308 4.264 0.044 1
1 1190 . 1 2 2 B 36 36 ALA C C 134 177.520 176.344 1.176 1
1 1191 . 1 2 2 B 36 36 ALA CA C 134 53.192 51.562 1.630 1
1 1192 . 1 2 2 B 36 36 ALA CB C 134 19.703 18.624 1.079 1
1 1193 . 1 2 2 B 36 36 ALA N N 134 124.376 120.953 3.423 1
1 1194 . 1 2 2 B 37 37 ASN H H 135 8.238 7.981 0.257 1
1 1195 . 1 2 2 B 37 37 ASN HA H 135 4.713 5.373 -0.660 1
1 1198 . 1 2 2 B 37 37 ASN C C 135 175.144 172.944 2.200 1
1 1199 . 1 2 2 B 37 37 ASN CA C 135 53.640 51.731 1.909 1
1 1200 . 1 2 2 B 37 37 ASN CB C 135 39.311 38.839 0.472 1
1 1201 . 1 2 2 B 37 37 ASN N N 135 117.103 119.891 -2.788 1
1 1202 . 1 2 2 B 38 38 PHE H H 136 7.997 9.039 -1.042 1
1 1203 . 1 2 2 B 38 38 PHE HA H 136 4.678 5.057 -0.379 1
1 1210 . 1 2 2 B 38 38 PHE C C 136 175.601 174.703 0.898 1
1 1211 . 1 2 2 B 38 38 PHE CA C 136 58.165 56.463 1.702 1
1 1212 . 1 2 2 B 38 38 PHE CB C 136 39.939 39.651 0.288 1
1 1215 . 1 2 2 B 38 38 PHE N N 136 120.229 124.174 -3.945 1
1 1216 . 1 2 2 B 39 39 ASN H H 137 8.272 8.958 -0.686 1
1 1217 . 1 2 2 B 39 39 ASN HA H 137 4.752 5.480 -0.728 1
1 1220 . 1 2 2 B 39 39 ASN C C 137 174.047 173.524 0.523 1
1 1221 . 1 2 2 B 39 39 ASN CA C 137 53.891 51.988 1.903 1
1 1222 . 1 2 2 B 39 39 ASN CB C 137 39.688 42.451 -2.763 1
1 1223 . 1 2 2 B 39 39 ASN N N 137 120.594 119.963 0.631 1
1 3 . 2 1 1 A 4 4 PRO HA H 2 4.509 4.610 -0.101 1
1 10 . 2 1 1 A 4 4 PRO C C 2 177.132 176.366 0.766 1
1 11 . 2 1 1 A 4 4 PRO CA C 2 63.529 63.444 0.085 1
1 12 . 2 1 1 A 4 4 PRO CB C 2 32.476 31.692 0.784 1
1 15 . 2 1 1 A 5 5 VAL H H 3 8.201 7.853 0.348 1
1 16 . 2 1 1 A 5 5 VAL HA H 3 4.152 3.861 0.291 1
1 24 . 2 1 1 A 5 5 VAL C C 3 176.423 174.509 1.914 1
1 25 . 2 1 1 A 5 5 VAL CA C 3 62.873 62.529 0.344 1
1 26 . 2 1 1 A 5 5 VAL CB C 3 33.455 30.469 2.986 1
1 28 . 2 1 1 A 5 5 VAL N N 3 120.488 115.390 5.098 1
1 29 . 2 1 1 A 6 6 SER H H 4 8.276 8.162 0.114 1
1 30 . 2 1 1 A 6 6 SER HA H 4 4.494 5.082 -0.588 1
1 33 . 2 1 1 A 6 6 SER C C 4 174.687 173.207 1.480 1
1 34 . 2 1 1 A 6 6 SER CA C 4 58.375 57.511 0.864 1
1 35 . 2 1 1 A 6 6 SER CB C 4 64.295 65.447 -1.152 1
1 36 . 2 1 1 A 6 6 SER N N 4 119.000 119.756 -0.756 1
1 37 . 2 1 1 A 7 7 LEU H H 5 8.238 8.402 -0.164 1
1 38 . 2 1 1 A 7 7 LEU HA H 5 4.406 4.710 -0.304 1
1 44 . 2 1 1 A 7 7 LEU C C 5 177.406 174.662 2.744 1
1 45 . 2 1 1 A 7 7 LEU CA C 5 55.766 54.840 0.926 1
1 46 . 2 1 1 A 7 7 LEU CB C 5 43.083 43.161 -0.078 1
1 48 . 2 1 1 A 7 7 LEU N N 5 124.704 126.443 -1.739 1
1 49 . 2 1 1 A 8 8 SER H H 6 8.148 8.812 -0.664 1
1 50 . 2 1 1 A 8 8 SER HA H 6 4.438 4.709 -0.271 1
1 53 . 2 1 1 A 8 8 SER C C 6 174.321 171.989 2.332 1
1 54 . 2 1 1 A 8 8 SER CA C 6 58.718 57.059 1.659 1
1 55 . 2 1 1 A 8 8 SER CB C 6 64.295 65.723 -1.428 1
1 56 . 2 1 1 A 8 8 SER N N 6 115.960 117.289 -1.329 1
1 57 . 2 1 1 A 9 9 TYR H H 7 7.954 8.673 -0.719 1
1 58 . 2 1 1 A 9 9 TYR HA H 7 4.585 4.753 -0.168 1
1 65 . 2 1 1 A 9 9 TYR C C 7 175.532 174.580 0.952 1
1 66 . 2 1 1 A 9 9 TYR CA C 7 58.335 57.323 1.012 1
1 67 . 2 1 1 A 9 9 TYR CB C 7 39.474 37.501 1.973 1
1 70 . 2 1 1 A 9 9 TYR N N 7 121.884 120.890 0.994 1
1 71 . 2 1 1 A 10 10 ARG H H 8 8.117 8.229 -0.112 1
1 72 . 2 1 1 A 10 10 ARG HA H 8 4.349 5.019 -0.670 1
1 79 . 2 1 1 A 10 10 ARG C C 8 175.898 174.483 1.415 1
1 80 . 2 1 1 A 10 10 ARG CA C 8 56.048 54.253 1.795 1
1 81 . 2 1 1 A 10 10 ARG CB C 8 31.492 33.947 -2.455 1
1 84 . 2 1 1 A 10 10 ARG N N 8 121.977 125.425 -3.448 1
1 85 . 2 1 1 A 11 11 CYS H H 9 8.127 8.719 -0.592 1
1 86 . 2 1 1 A 11 11 CYS HA H 9 5.004 5.161 -0.157 1
1 89 . 2 1 1 A 11 11 CYS C C 9 177.771 173.804 3.967 1
1 90 . 2 1 1 A 11 11 CYS CA C 9 53.192 54.791 -1.599 1
1 91 . 2 1 1 A 11 11 CYS CB C 9 40.897 43.274 -2.377 1
1 92 . 2 1 1 A 11 11 CYS N N 9 121.209 123.655 -2.446 1
1 93 . 2 1 1 A 12 12 PRO HA H 10 4.340 4.300 0.040 1
1 100 . 2 1 1 A 12 12 PRO CA C 10 65.478 65.079 0.399 1
1 101 . 2 1 1 A 12 12 PRO CB C 10 32.904 31.387 1.517 1
1 104 . 2 1 1 A 13 13 CYS H H 11 8.662 8.254 0.408 1
1 105 . 2 1 1 A 13 13 CYS C C 11 174.618 173.599 1.019 1
1 106 . 2 1 1 A 13 13 CYS N N 11 114.595 116.470 -1.875 1
1 107 . 2 1 1 A 14 14 ARG H H 12 8.236 8.968 -0.732 1
1 108 . 2 1 1 A 14 14 ARG HA H 12 4.075 4.097 -0.022 1
1 115 . 2 1 1 A 14 14 ARG C C 12 175.098 175.454 -0.356 1
1 116 . 2 1 1 A 14 14 ARG CA C 12 57.370 57.963 -0.593 1
1 117 . 2 1 1 A 14 14 ARG CB C 12 31.631 31.150 0.481 1
1 120 . 2 1 1 A 14 14 ARG N N 12 122.779 127.544 -4.765 1
1 121 . 2 1 1 A 15 15 PHE H H 13 7.603 7.687 -0.084 1
1 122 . 2 1 1 A 15 15 PHE HA H 13 4.515 5.151 -0.636 1
1 129 . 2 1 1 A 15 15 PHE C C 13 174.162 174.740 -0.578 1
1 130 . 2 1 1 A 15 15 PHE CA C 13 56.289 56.038 0.251 1
1 131 . 2 1 1 A 15 15 PHE CB C 13 41.320 42.965 -1.645 1
1 134 . 2 1 1 A 15 15 PHE N N 13 116.797 115.027 1.770 1
1 135 . 2 1 1 A 16 16 PHE H H 14 8.112 8.672 -0.560 1
1 136 . 2 1 1 A 16 16 PHE HA H 14 4.783 5.644 -0.861 1
1 143 . 2 1 1 A 16 16 PHE C C 14 175.441 173.660 1.781 1
1 144 . 2 1 1 A 16 16 PHE CA C 14 55.767 55.136 0.631 1
1 145 . 2 1 1 A 16 16 PHE CB C 14 41.320 42.657 -1.337 1
1 148 . 2 1 1 A 16 16 PHE N N 14 118.930 117.836 1.094 1
1 149 . 2 1 1 A 17 17 GLU H H 15 8.820 9.066 -0.246 1
1 150 . 2 1 1 A 17 17 GLU HA H 15 4.616 4.760 -0.144 1
1 155 . 2 1 1 A 17 17 GLU C C 15 176.857 175.707 1.150 1
1 156 . 2 1 1 A 17 17 GLU CA C 15 56.289 57.233 -0.944 1
1 157 . 2 1 1 A 17 17 GLU CB C 15 31.173 30.628 0.545 1
1 159 . 2 1 1 A 17 17 GLU N N 15 122.825 120.783 2.042 1
1 160 . 2 1 1 A 18 18 SER H H 16 8.746 9.090 -0.344 1
1 161 . 2 1 1 A 18 18 SER HA H 16 4.759 5.058 -0.299 1
1 164 . 2 1 1 A 18 18 SER C C 16 177.497 173.436 4.061 1
1 165 . 2 1 1 A 18 18 SER CA C 16 59.328 55.948 3.380 1
1 166 . 2 1 1 A 18 18 SER CB C 16 64.515 66.453 -1.938 1
1 167 . 2 1 1 A 18 18 SER N N 16 118.860 118.816 0.044 1
1 168 . 2 1 1 A 19 19 HIS H H 17 8.761 8.745 0.016 1
1 169 . 2 1 1 A 19 19 HIS HA H 17 4.859 4.218 0.641 1
1 174 . 2 1 1 A 19 19 HIS C C 17 174.618 174.283 0.335 1
1 175 . 2 1 1 A 19 19 HIS CA C 17 56.449 57.233 -0.784 1
1 176 . 2 1 1 A 19 19 HIS CB C 17 29.870 26.655 3.215 1
1 179 . 2 1 1 A 19 19 HIS N N 17 120.535 118.698 1.837 1
1 180 . 2 1 1 A 20 20 VAL H H 18 7.211 7.972 -0.761 1
1 181 . 2 1 1 A 20 20 VAL HA H 18 4.160 3.914 0.246 1
1 189 . 2 1 1 A 20 20 VAL C C 18 174.436 176.023 -1.587 1
1 190 . 2 1 1 A 20 20 VAL CA C 18 62.167 63.334 -1.167 1
1 191 . 2 1 1 A 20 20 VAL CB C 18 34.426 32.186 2.240 1
1 193 . 2 1 1 A 20 20 VAL N N 18 120.872 119.135 1.737 1
1 194 . 2 1 1 A 21 21 ALA H H 19 8.535 8.615 -0.080 1
1 195 . 2 1 1 A 21 21 ALA HA H 19 4.402 4.224 0.178 1
1 199 . 2 1 1 A 21 21 ALA C C 19 177.657 178.588 -0.931 1
1 200 . 2 1 1 A 21 21 ALA CA C 19 51.193 52.805 -1.612 1
1 201 . 2 1 1 A 21 21 ALA CB C 19 19.790 19.184 0.606 1
1 202 . 2 1 1 A 21 21 ALA N N 19 131.339 129.561 1.778 1
1 203 . 2 1 1 A 22 22 ARG H H 20 7.815 8.309 -0.494 1
1 204 . 2 1 1 A 22 22 ARG HA H 20 2.495 3.148 -0.653 1
1 211 . 2 1 1 A 22 22 ARG C C 20 178.365 177.057 1.308 1
1 212 . 2 1 1 A 22 22 ARG CA C 20 59.379 57.736 1.643 1
1 213 . 2 1 1 A 22 22 ARG CB C 20 29.572 29.242 0.330 1
1 216 . 2 1 1 A 22 22 ARG N N 20 124.365 124.476 -0.111 1
1 217 . 2 1 1 A 23 23 ALA H H 21 8.135 7.450 0.685 1
1 218 . 2 1 1 A 23 23 ALA HA H 21 4.070 4.112 -0.042 1
1 222 . 2 1 1 A 23 23 ALA C C 21 178.000 177.711 0.289 1
1 223 . 2 1 1 A 23 23 ALA CA C 21 54.100 53.216 0.884 1
1 224 . 2 1 1 A 23 23 ALA CB C 21 18.713 18.739 -0.026 1
1 225 . 2 1 1 A 23 23 ALA N N 21 117.156 121.216 -4.060 1
1 226 . 2 1 1 A 24 24 ASN H H 22 7.712 7.942 -0.230 1
1 227 . 2 1 1 A 24 24 ASN HA H 22 5.008 4.851 0.157 1
1 232 . 2 1 1 A 24 24 ASN C C 22 174.938 174.898 0.040 1
1 233 . 2 1 1 A 24 24 ASN CA C 22 52.869 52.446 0.423 1
1 234 . 2 1 1 A 24 24 ASN CB C 22 40.573 38.837 1.736 1
1 235 . 2 1 1 A 24 24 ASN N N 22 112.819 115.303 -2.484 1
1 237 . 2 1 1 A 25 25 VAL H H 23 7.508 7.381 0.127 1
1 238 . 2 1 1 A 25 25 VAL HA H 23 4.896 4.312 0.584 1
1 246 . 2 1 1 A 25 25 VAL C C 23 175.829 175.213 0.616 1
1 247 . 2 1 1 A 25 25 VAL CA C 23 59.870 60.619 -0.749 1
1 248 . 2 1 1 A 25 25 VAL CB C 23 35.396 33.441 1.955 1
1 251 . 2 1 1 A 25 25 VAL N N 23 119.721 119.842 -0.121 1
1 252 . 2 1 1 A 26 26 LYS H H 24 9.483 9.198 0.285 1
1 253 . 2 1 1 A 26 26 LYS HA H 24 4.350 4.439 -0.089 1
1 262 . 2 1 1 A 26 26 LYS C C 24 176.606 176.399 0.207 1
1 263 . 2 1 1 A 26 26 LYS CA C 24 58.977 56.868 2.109 1
1 264 . 2 1 1 A 26 26 LYS CB C 24 34.567 33.791 0.776 1
1 268 . 2 1 1 A 26 26 LYS N N 24 128.029 125.670 2.359 1
1 269 . 2 1 1 A 27 27 HIS H H 25 7.223 7.751 -0.528 1
1 270 . 2 1 1 A 27 27 HIS HA H 25 4.979 4.881 0.098 1
1 275 . 2 1 1 A 27 27 HIS C C 25 178.434 172.556 5.878 1
1 276 . 2 1 1 A 27 27 HIS CA C 25 55.406 54.894 0.512 1
1 277 . 2 1 1 A 27 27 HIS CB C 25 32.904 30.996 1.908 1
1 280 . 2 1 1 A 27 27 HIS N N 25 109.556 113.876 -4.320 1
1 281 . 2 1 1 A 28 28 LEU H H 26 8.149 8.680 -0.531 1
1 282 . 2 1 1 A 28 28 LEU HA H 26 5.190 5.218 -0.028 1
1 292 . 2 1 1 A 28 28 LEU C C 26 175.510 175.247 0.263 1
1 293 . 2 1 1 A 28 28 LEU CA C 26 53.480 53.364 0.116 1
1 294 . 2 1 1 A 28 28 LEU CB C 26 45.235 45.300 -0.065 1
1 298 . 2 1 1 A 28 28 LEU N N 26 117.106 119.744 -2.638 1
1 299 . 2 1 1 A 29 29 LYS H H 27 9.578 9.351 0.227 1
1 300 . 2 1 1 A 29 29 LYS HA H 27 5.385 5.122 0.263 1
1 309 . 2 1 1 A 29 29 LYS C C 27 174.801 174.613 0.188 1
1 310 . 2 1 1 A 29 29 LYS CA C 27 55.165 54.627 0.538 1
1 311 . 2 1 1 A 29 29 LYS CB C 27 35.253 35.371 -0.118 1
1 315 . 2 1 1 A 29 29 LYS N N 27 123.488 123.113 0.375 1
1 316 . 2 1 1 A 30 30 ILE H H 28 9.133 9.039 0.094 1
1 317 . 2 1 1 A 30 30 ILE HA H 28 4.925 4.997 -0.072 1
1 327 . 2 1 1 A 30 30 ILE C C 28 176.949 174.988 1.961 1
1 328 . 2 1 1 A 30 30 ILE CA C 28 60.542 59.550 0.992 1
1 329 . 2 1 1 A 30 30 ILE CB C 28 39.600 39.729 -0.129 1
1 333 . 2 1 1 A 30 30 ILE N N 28 123.846 128.059 -4.213 1
1 334 . 2 1 1 A 31 31 LEU H H 29 8.830 9.168 -0.338 1
1 335 . 2 1 1 A 31 31 LEU HA H 29 4.533 5.015 -0.482 1
1 344 . 2 1 1 A 31 31 LEU C C 29 176.012 174.911 1.101 1
1 345 . 2 1 1 A 31 31 LEU CA C 29 55.406 53.449 1.957 1
1 346 . 2 1 1 A 31 31 LEU CB C 29 43.180 46.145 -2.965 1
1 349 . 2 1 1 A 31 31 LEU N N 29 128.649 124.667 3.982 1
1 350 . 2 1 1 A 32 32 ASN H H 30 8.211 9.107 -0.896 1
1 351 . 2 1 1 A 32 32 ASN HA H 30 5.014 5.372 -0.358 1
1 356 . 2 1 1 A 32 32 ASN C C 30 174.664 175.039 -0.375 1
1 357 . 2 1 1 A 32 32 ASN CA C 30 52.517 51.938 0.579 1
1 358 . 2 1 1 A 32 32 ASN CB C 30 38.776 40.272 -1.496 1
1 359 . 2 1 1 A 32 32 ASN N N 30 120.791 118.786 2.005 1
1 361 . 2 1 1 A 33 33 THR H H 31 7.896 8.952 -1.056 1
1 362 . 2 1 1 A 33 33 THR HA H 31 4.842 4.854 -0.012 1
1 367 . 2 1 1 A 33 33 THR CA C 31 58.369 59.962 -1.593 1
1 368 . 2 1 1 A 33 33 THR CB C 31 70.011 68.856 1.155 1
1 370 . 2 1 1 A 33 33 THR N N 31 115.811 118.072 -2.261 1
1 371 . 2 1 1 A 34 34 PRO HA H 32 4.317 4.472 -0.155 1
1 378 . 2 1 1 A 34 34 PRO CA C 32 65.164 64.212 0.952 1
1 379 . 2 1 1 A 34 34 PRO CB C 32 32.484 31.280 1.204 1
1 382 . 2 1 1 A 35 35 ASN H H 33 8.256 8.367 -0.111 1
1 383 . 2 1 1 A 35 35 ASN HA H 33 4.651 5.001 -0.350 1
1 388 . 2 1 1 A 35 35 ASN C C 33 174.710 173.975 0.735 1
1 389 . 2 1 1 A 35 35 ASN CA C 33 54.532 52.367 2.165 1
1 390 . 2 1 1 A 35 35 ASN CB C 33 39.167 40.111 -0.944 1
1 391 . 2 1 1 A 35 35 ASN N N 33 120.081 115.879 4.202 1
1 393 . 2 1 1 A 36 36 CYS H H 34 7.548 7.695 -0.147 1
1 394 . 2 1 1 A 36 36 CYS HA H 34 4.693 5.019 -0.326 1
1 397 . 2 1 1 A 36 36 CYS C C 34 173.865 173.032 0.833 1
1 398 . 2 1 1 A 36 36 CYS CA C 34 55.447 54.765 0.682 1
1 399 . 2 1 1 A 36 36 CYS CB C 34 45.228 47.976 -2.748 1
1 400 . 2 1 1 A 36 36 CYS N N 34 117.076 117.184 -0.108 1
1 401 . 2 1 1 A 37 37 ALA H H 35 8.469 8.523 -0.054 1
1 402 . 2 1 1 A 37 37 ALA HA H 35 4.252 4.372 -0.120 1
1 406 . 2 1 1 A 37 37 ALA C C 35 176.423 177.257 -0.834 1
1 407 . 2 1 1 A 37 37 ALA CA C 35 53.537 51.859 1.678 1
1 408 . 2 1 1 A 37 37 ALA CB C 35 19.202 20.513 -1.311 1
1 409 . 2 1 1 A 37 37 ALA N N 35 125.153 124.999 0.154 1
1 410 . 2 1 1 A 38 38 CYS H H 36 8.315 8.379 -0.064 1
1 411 . 2 1 1 A 38 38 CYS HA H 36 4.211 4.303 -0.092 1
1 414 . 2 1 1 A 38 38 CYS C C 36 173.705 173.767 -0.062 1
1 415 . 2 1 1 A 38 38 CYS CA C 36 58.616 60.175 -1.559 1
1 416 . 2 1 1 A 38 38 CYS CB C 36 45.705 27.852 17.853 1
1 417 . 2 1 1 A 38 38 CYS N N 36 118.837 118.203 0.634 1
1 418 . 2 1 1 A 39 39 GLN H H 37 8.926 8.748 0.178 1
1 419 . 2 1 1 A 39 39 GLN HA H 37 4.609 4.928 -0.319 1
1 426 . 2 1 1 A 39 39 GLN C C 37 173.636 174.399 -0.763 1
1 427 . 2 1 1 A 39 39 GLN CA C 37 54.603 54.090 0.513 1
1 428 . 2 1 1 A 39 39 GLN CB C 37 31.761 32.040 -0.279 1
1 430 . 2 1 1 A 39 39 GLN N N 37 128.567 126.461 2.106 1
1 432 . 2 1 1 A 40 40 ILE H H 38 8.874 8.940 -0.066 1
1 433 . 2 1 1 A 40 40 ILE HA H 38 5.093 4.903 0.190 1
1 443 . 2 1 1 A 40 40 ILE C C 38 174.390 174.429 -0.039 1
1 444 . 2 1 1 A 40 40 ILE CA C 38 60.582 60.264 0.318 1
1 445 . 2 1 1 A 40 40 ILE CB C 38 40.048 40.833 -0.785 1
1 449 . 2 1 1 A 40 40 ILE N N 38 123.962 126.316 -2.354 1
1 450 . 2 1 1 A 41 41 VAL H H 39 9.120 9.229 -0.109 1
1 451 . 2 1 1 A 41 41 VAL HA H 39 4.905 4.742 0.163 1
1 459 . 2 1 1 A 41 41 VAL C C 39 175.487 174.759 0.728 1
1 460 . 2 1 1 A 41 41 VAL CA C 39 59.980 61.238 -1.258 1
1 461 . 2 1 1 A 41 41 VAL CB C 39 35.868 33.363 2.505 1
1 464 . 2 1 1 A 41 41 VAL N N 39 126.354 129.065 -2.711 1
1 465 . 2 1 1 A 42 42 ALA H H 40 9.513 9.328 0.185 1
1 466 . 2 1 1 A 42 42 ALA HA H 40 5.154 5.367 -0.213 1
1 470 . 2 1 1 A 42 42 ALA C C 40 175.944 175.181 0.763 1
1 471 . 2 1 1 A 42 42 ALA CA C 40 50.591 49.972 0.619 1
1 472 . 2 1 1 A 42 42 ALA CB C 40 22.432 21.899 0.533 1
1 473 . 2 1 1 A 42 42 ALA N N 40 128.406 129.473 -1.067 1
1 474 . 2 1 1 A 43 43 ARG H H 41 7.706 8.661 -0.955 1
1 475 . 2 1 1 A 43 43 ARG HA H 41 4.978 4.960 0.018 1
1 482 . 2 1 1 A 43 43 ARG C C 41 175.510 176.078 -0.568 1
1 483 . 2 1 1 A 43 43 ARG CA C 41 54.162 55.038 -0.876 1
1 484 . 2 1 1 A 43 43 ARG CB C 41 31.200 32.435 -1.235 1
1 487 . 2 1 1 A 43 43 ARG N N 41 121.663 124.113 -2.450 1
1 488 . 2 1 1 A 44 44 LEU H H 42 9.164 8.391 0.773 1
1 489 . 2 1 1 A 44 44 LEU HA H 42 5.023 4.671 0.352 1
1 499 . 2 1 1 A 44 44 LEU C C 42 177.840 177.846 -0.006 1
1 500 . 2 1 1 A 44 44 LEU CA C 42 54.724 54.402 0.322 1
1 501 . 2 1 1 A 44 44 LEU CB C 42 41.712 42.210 -0.498 1
1 505 . 2 1 1 A 44 44 LEU N N 42 129.087 127.050 2.037 1
1 506 . 2 1 1 A 45 45 LYS H H 43 8.414 8.746 -0.332 1
1 507 . 2 1 1 A 45 45 LYS HA H 43 3.954 4.267 -0.313 1
1 516 . 2 1 1 A 45 45 LYS CA C 43 59.016 55.836 3.180 1
1 517 . 2 1 1 A 45 45 LYS CB C 43 34.102 31.802 2.300 1
1 520 . 2 1 1 A 45 45 LYS N N 43 119.674 120.787 -1.113 1
1 521 . 2 1 1 A 48 48 ASN HA H 46 4.723 4.930 -0.207 1
1 526 . 2 1 1 A 48 48 ASN C C 46 175.098 175.706 -0.608 1
1 527 . 2 1 1 A 48 48 ASN CA C 46 54.764 52.864 1.900 1
1 528 . 2 1 1 A 48 48 ASN CB C 46 39.265 40.189 -0.924 1
1 530 . 2 1 1 A 49 49 ARG H H 47 7.914 8.792 -0.878 1
1 531 . 2 1 1 A 49 49 ARG HA H 47 4.352 4.906 -0.554 1
1 538 . 2 1 1 A 49 49 ARG C C 47 175.601 175.464 0.137 1
1 539 . 2 1 1 A 49 49 ARG CA C 47 57.051 53.879 3.172 1
1 540 . 2 1 1 A 49 49 ARG CB C 47 32.121 31.686 0.435 1
1 543 . 2 1 1 A 49 49 ARG N N 47 119.826 118.464 1.362 1
1 544 . 2 1 1 A 50 50 GLN H H 48 8.542 8.428 0.114 1
1 545 . 2 1 1 A 50 50 GLN HA H 48 5.495 4.912 0.583 1
1 552 . 2 1 1 A 50 50 GLN C C 48 175.578 175.485 0.093 1
1 553 . 2 1 1 A 50 50 GLN CA C 48 55.125 54.999 0.126 1
1 554 . 2 1 1 A 50 50 GLN CB C 48 32.121 29.767 2.354 1
1 556 . 2 1 1 A 50 50 GLN N N 48 120.767 118.186 2.581 1
1 558 . 2 1 1 A 51 51 VAL H H 49 8.649 9.228 -0.579 1
1 559 . 2 1 1 A 51 51 VAL HA H 49 4.833 4.853 -0.020 1
1 567 . 2 1 1 A 51 51 VAL C C 49 175.258 173.722 1.536 1
1 568 . 2 1 1 A 51 51 VAL CA C 49 59.338 59.580 -0.242 1
1 569 . 2 1 1 A 51 51 VAL CB C 49 36.155 34.271 1.884 1
1 572 . 2 1 1 A 51 51 VAL N N 49 116.678 117.257 -0.579 1
1 573 . 2 1 1 A 52 52 CYS H H 50 9.099 9.767 -0.668 1
1 574 . 2 1 1 A 52 52 CYS HA H 50 5.308 5.330 -0.022 1
1 577 . 2 1 1 A 52 52 CYS C C 50 174.527 172.716 1.811 1
1 578 . 2 1 1 A 52 52 CYS CA C 50 58.054 54.219 3.835 1
1 579 . 2 1 1 A 52 52 CYS CB C 50 43.375 45.482 -2.107 1
1 580 . 2 1 1 A 52 52 CYS N N 50 124.549 121.019 3.530 1
1 581 . 2 1 1 A 53 53 ILE H H 51 8.479 9.535 -1.056 1
1 582 . 2 1 1 A 53 53 ILE HA H 51 4.974 4.882 0.092 1
1 592 . 2 1 1 A 53 53 ILE C C 51 173.019 174.827 -1.808 1
1 593 . 2 1 1 A 53 53 ILE CA C 51 58.897 59.942 -1.045 1
1 594 . 2 1 1 A 53 53 ILE CB C 51 42.201 40.640 1.561 1
1 598 . 2 1 1 A 53 53 ILE N N 51 122.581 127.203 -4.622 1
1 599 . 2 1 1 A 54 54 ASP H H 52 7.642 7.993 -0.351 1
1 600 . 2 1 1 A 54 54 ASP HA H 52 3.619 3.952 -0.333 1
1 603 . 2 1 1 A 54 54 ASP CA C 52 51.574 51.360 0.214 1
1 604 . 2 1 1 A 54 54 ASP CB C 52 42.515 41.283 1.232 1
1 605 . 2 1 1 A 54 54 ASP N N 52 125.772 125.845 -0.073 1
1 606 . 2 1 1 A 55 55 PRO HA H 53 4.023 4.316 -0.293 1
1 613 . 2 1 1 A 55 55 PRO C C 53 176.126 176.411 -0.285 1
1 614 . 2 1 1 A 55 55 PRO CA C 53 63.993 63.933 0.060 1
1 615 . 2 1 1 A 55 55 PRO CB C 53 33.002 31.539 1.463 1
1 618 . 2 1 1 A 56 56 LYS H H 54 7.930 7.528 0.402 1
1 619 . 2 1 1 A 56 56 LYS HA H 54 4.000 4.374 -0.374 1
1 628 . 2 1 1 A 56 56 LYS C C 54 177.931 176.390 1.541 1
1 629 . 2 1 1 A 56 56 LYS CA C 54 56.770 55.904 0.866 1
1 630 . 2 1 1 A 56 56 LYS CB C 54 32.023 32.968 -0.945 1
1 634 . 2 1 1 A 56 56 LYS N N 54 112.924 116.203 -3.279 1
1 635 . 2 1 1 A 57 57 LEU H H 55 7.161 7.060 0.101 1
1 636 . 2 1 1 A 57 57 LEU HA H 55 4.065 4.192 -0.127 1
1 646 . 2 1 1 A 57 57 LEU C C 55 179.416 177.610 1.806 1
1 647 . 2 1 1 A 57 57 LEU CA C 55 56.088 55.296 0.792 1
1 648 . 2 1 1 A 57 57 LEU CB C 55 42.397 41.849 0.548 1
1 652 . 2 1 1 A 57 57 LEU N N 55 120.593 121.655 -1.062 1
1 653 . 2 1 1 A 58 58 LYS H H 56 8.716 8.845 -0.129 1
1 654 . 2 1 1 A 58 58 LYS HA H 56 3.937 4.002 -0.065 1
1 663 . 2 1 1 A 58 58 LYS C C 56 178.937 178.436 0.501 1
1 664 . 2 1 1 A 58 58 LYS CA C 56 60.301 59.435 0.866 1
1 665 . 2 1 1 A 58 58 LYS CB C 56 32.121 32.237 -0.116 1
1 669 . 2 1 1 A 58 58 LYS N N 56 125.479 124.618 0.861 1
1 670 . 2 1 1 A 59 59 TRP H H 57 7.827 8.248 -0.421 1
1 671 . 2 1 1 A 59 59 TRP HA H 57 4.664 4.529 0.135 1
1 680 . 2 1 1 A 59 59 TRP C C 57 178.868 179.277 -0.409 1
1 681 . 2 1 1 A 59 59 TRP CA C 57 58.897 59.930 -1.033 1
1 682 . 2 1 1 A 59 59 TRP CB C 57 28.036 28.071 -0.035 1
1 688 . 2 1 1 A 59 59 TRP N N 57 113.433 119.392 -5.959 1
1 690 . 2 1 1 A 60 60 ILE H H 58 6.458 7.340 -0.882 1
1 691 . 2 1 1 A 60 60 ILE HA H 58 3.325 3.467 -0.142 1
1 701 . 2 1 1 A 60 60 ILE C C 58 177.726 177.693 0.033 1
1 702 . 2 1 1 A 60 60 ILE CA C 58 64.314 64.413 -0.099 1
1 703 . 2 1 1 A 60 60 ILE CB C 58 35.897 36.573 -0.676 1
1 707 . 2 1 1 A 60 60 ILE N N 58 124.379 122.507 1.872 1
1 708 . 2 1 1 A 61 61 GLN H H 59 7.622 8.588 -0.966 1
1 709 . 2 1 1 A 61 61 GLN HA H 59 3.763 3.889 -0.126 1
1 716 . 2 1 1 A 61 61 GLN C C 59 178.434 179.013 -0.579 1
1 717 . 2 1 1 A 61 61 GLN CA C 59 59.379 59.356 0.023 1
1 718 . 2 1 1 A 61 61 GLN CB C 59 28.602 28.367 0.235 1
1 720 . 2 1 1 A 61 61 GLN N N 59 119.070 118.857 0.213 1
1 722 . 2 1 1 A 62 62 GLU H H 60 8.064 8.282 -0.218 1
1 723 . 2 1 1 A 62 62 GLU HA H 60 4.093 4.090 0.003 1
1 728 . 2 1 1 A 62 62 GLU C C 60 179.051 178.621 0.430 1
1 729 . 2 1 1 A 62 62 GLU CA C 60 59.659 59.267 0.392 1
1 730 . 2 1 1 A 62 62 GLU CB C 60 30.457 29.529 0.928 1
1 732 . 2 1 1 A 62 62 GLU N N 60 117.166 120.476 -3.310 1
1 733 . 2 1 1 A 63 63 TYR H H 61 7.913 8.025 -0.112 1
1 734 . 2 1 1 A 63 63 TYR HA H 61 4.265 4.201 0.064 1
1 741 . 2 1 1 A 63 63 TYR C C 61 178.617 177.427 1.190 1
1 742 . 2 1 1 A 63 63 TYR CA C 61 61.184 61.339 -0.155 1
1 743 . 2 1 1 A 63 63 TYR CB C 61 39.461 38.585 0.876 1
1 746 . 2 1 1 A 63 63 TYR N N 61 121.271 122.557 -1.286 1
1 747 . 2 1 1 A 64 64 LEU H H 62 8.252 9.016 -0.764 1
1 748 . 2 1 1 A 64 64 LEU HA H 62 3.977 3.943 0.034 1
1 758 . 2 1 1 A 64 64 LEU C C 62 179.553 179.458 0.095 1
1 759 . 2 1 1 A 64 64 LEU CA C 62 58.014 58.279 -0.265 1
1 760 . 2 1 1 A 64 64 LEU CB C 62 42.397 41.647 0.750 1
1 764 . 2 1 1 A 64 64 LEU N N 62 116.299 120.103 -3.804 1
1 765 . 2 1 1 A 65 65 GLU H H 63 8.453 7.997 0.456 1
1 766 . 2 1 1 A 65 65 GLU HA H 63 3.853 3.960 -0.107 1
1 771 . 2 1 1 A 65 65 GLU C C 63 179.279 179.468 -0.189 1
1 772 . 2 1 1 A 65 65 GLU CA C 63 60.301 59.756 0.545 1
1 773 . 2 1 1 A 65 65 GLU CB C 63 29.870 29.440 0.430 1
1 775 . 2 1 1 A 65 65 GLU N N 63 118.616 117.543 1.073 1
1 776 . 2 1 1 A 66 66 LYS H H 64 7.571 8.582 -1.011 1
1 777 . 2 1 1 A 66 66 LYS HA H 64 4.225 4.004 0.221 1
1 786 . 2 1 1 A 66 66 LYS C C 64 178.457 178.845 -0.388 1
1 787 . 2 1 1 A 66 66 LYS CA C 64 58.496 59.105 -0.609 1
1 788 . 2 1 1 A 66 66 LYS CB C 64 32.400 32.111 0.289 1
1 792 . 2 1 1 A 66 66 LYS N N 64 117.166 119.031 -1.865 1
1 793 . 2 1 1 A 67 67 CYS H H 65 7.916 7.982 -0.066 1
1 794 . 2 1 1 A 67 67 CYS HA H 65 4.561 3.939 0.622 1
1 797 . 2 1 1 A 67 67 CYS C C 65 174.893 176.849 -1.956 1
1 798 . 2 1 1 A 67 67 CYS CA C 65 56.329 62.259 -5.930 1
1 799 . 2 1 1 A 67 67 CYS CB C 65 45.235 26.534 18.701 1
1 800 . 2 1 1 A 67 67 CYS N N 65 115.312 118.947 -3.635 1
1 801 . 2 1 1 A 68 68 LEU H H 66 7.556 7.250 0.306 1
1 802 . 2 1 1 A 68 68 LEU HA H 66 4.520 3.981 0.539 1
1 812 . 2 1 1 A 68 68 LEU C C 66 176.812 178.476 -1.664 1
1 813 . 2 1 1 A 68 68 LEU CA C 66 55.366 57.866 -2.500 1
1 814 . 2 1 1 A 68 68 LEU CB C 66 43.278 41.276 2.002 1
1 818 . 2 1 1 A 68 68 LEU N N 66 120.930 119.816 1.114 1
1 819 . 2 1 1 A 69 69 ASN H H 67 8.266 7.273 0.993 1
1 820 . 2 1 1 A 69 69 ASN HA H 67 4.681 4.526 0.155 1
1 825 . 2 1 1 A 69 69 ASN CA C 67 53.761 55.678 -1.917 1
1 826 . 2 1 1 A 69 69 ASN CB C 67 39.069 39.173 -0.104 1
1 827 . 2 1 1 A 69 69 ASN N N 67 120.279 117.735 2.544 1
1 852 . 2 2 2 B 4 4 GLU H H 102 8.376 7.866 0.510 1
1 853 . 2 2 2 B 4 4 GLU HA H 102 4.335 4.358 -0.023 1
1 858 . 2 2 2 B 4 4 GLU C C 102 177.132 176.970 0.162 1
1 859 . 2 2 2 B 4 4 GLU CA C 102 57.410 57.004 0.406 1
1 861 . 2 2 2 B 4 4 GLU N N 102 121.884 118.654 3.230 1
1 862 . 2 2 2 B 5 5 GLY H H 103 8.380 8.634 -0.254 1
1 863 . 2 2 2 B 5 5 GLY HA2 H 103 4.003 3.885 0.118 1
1 864 . 2 2 2 B 5 5 GLY HA3 H 103 4.003 3.888 0.115 1
1 865 . 2 2 2 B 5 5 GLY C C 103 174.207 173.346 0.861 1
1 866 . 2 2 2 B 5 5 GLY CA C 103 45.750 46.751 -1.001 1
1 867 . 2 2 2 B 5 5 GLY N N 103 110.055 109.414 0.641 1
1 868 . 2 2 2 B 6 6 ILE H H 104 7.851 7.962 -0.111 1
1 869 . 2 2 2 B 6 6 ILE HA H 104 4.305 3.924 0.381 1
1 879 . 2 2 2 B 6 6 ILE C C 104 176.401 176.147 0.254 1
1 880 . 2 2 2 B 6 6 ILE CA C 104 61.558 61.635 -0.077 1
1 881 . 2 2 2 B 6 6 ILE CB C 104 39.436 38.010 1.426 1
1 885 . 2 2 2 B 6 6 ILE N N 104 119.606 125.764 -6.158 1
1 886 . 2 2 2 B 7 7 SER H H 105 8.369 8.422 -0.053 1
1 887 . 2 2 2 B 7 7 SER HA H 105 4.564 4.495 0.069 1
1 890 . 2 2 2 B 7 7 SER C C 105 174.550 174.379 0.171 1
1 891 . 2 2 2 B 7 7 SER CA C 105 58.667 57.987 0.680 1
1 892 . 2 2 2 B 7 7 SER CB C 105 64.072 63.457 0.615 1
1 893 . 2 2 2 B 7 7 SER N N 105 119.853 122.019 -2.166 1
1 894 . 2 2 2 B 8 8 ILE H H 106 7.953 8.300 -0.347 1
1 895 . 2 2 2 B 8 8 ILE HA H 106 4.224 4.163 0.061 1
1 905 . 2 2 2 B 8 8 ILE C C 106 175.921 176.994 -1.073 1
1 906 . 2 2 2 B 8 8 ILE CA C 106 61.935 60.020 1.915 1
1 907 . 2 2 2 B 8 8 ILE CB C 106 39.436 39.171 0.265 1
1 911 . 2 2 2 B 8 8 ILE N N 106 121.730 120.741 0.989 1
1 912 . 2 2 2 B 9 9 TYR H H 107 8.171 8.200 -0.029 1
1 913 . 2 2 2 B 9 9 TYR HA H 107 4.736 4.316 0.420 1
1 920 . 2 2 2 B 9 9 TYR C C 107 176.058 175.379 0.679 1
1 921 . 2 2 2 B 9 9 TYR CA C 107 58.165 59.844 -1.679 1
1 922 . 2 2 2 B 9 9 TYR CB C 107 39.436 38.712 0.724 1
1 925 . 2 2 2 B 9 9 TYR N N 107 123.598 121.321 2.277 1
1 926 . 2 2 2 B 10 10 THR H H 108 7.986 7.922 0.064 1
1 927 . 2 2 2 B 10 10 THR HA H 108 4.452 4.036 0.416 1
1 932 . 2 2 2 B 10 10 THR C C 108 174.459 173.545 0.914 1
1 933 . 2 2 2 B 10 10 THR CA C 108 62.061 62.217 -0.156 1
1 934 . 2 2 2 B 10 10 THR CB C 108 70.608 67.406 3.202 1
1 936 . 2 2 2 B 10 10 THR N N 108 115.642 111.461 4.181 1
1 937 . 2 2 2 B 11 11 SER H H 109 8.193 8.106 0.087 1
1 938 . 2 2 2 B 11 11 SER HA H 109 4.526 4.763 -0.237 1
1 941 . 2 2 2 B 11 11 SER C C 109 174.504 174.709 -0.205 1
1 942 . 2 2 2 B 11 11 SER CA C 109 58.919 57.627 1.292 1
1 943 . 2 2 2 B 11 11 SER CB C 109 64.198 63.456 0.742 1
1 944 . 2 2 2 B 11 11 SER N N 109 117.597 117.520 0.077 1
1 945 . 2 2 2 B 12 12 ASP H H 110 8.351 8.865 -0.514 1
1 946 . 2 2 2 B 12 12 ASP HA H 110 4.650 4.557 0.093 1
1 949 . 2 2 2 B 12 12 ASP C C 110 176.058 176.141 -0.083 1
1 950 . 2 2 2 B 12 12 ASP CA C 110 55.022 57.309 -2.287 1
1 951 . 2 2 2 B 12 12 ASP CB C 110 41.825 42.479 -0.654 1
1 952 . 2 2 2 B 12 12 ASP N N 110 122.020 125.287 -3.267 1
1 953 . 2 2 2 B 13 13 ASN H H 111 8.230 7.717 0.513 1
1 954 . 2 2 2 B 13 13 ASN HA H 111 4.745 4.999 -0.254 1
1 957 . 2 2 2 B 13 13 ASN C C 111 175.030 174.206 0.824 1
1 958 . 2 2 2 B 13 13 ASN CA C 111 53.765 53.060 0.705 1
1 959 . 2 2 2 B 13 13 ASN CB C 111 39.562 42.021 -2.459 1
1 960 . 2 2 2 B 13 13 ASN N N 111 118.317 113.682 4.635 1
1 961 . 2 2 2 B 14 14 TYR H H 112 8.101 8.706 -0.605 1
1 962 . 2 2 2 B 14 14 TYR HA H 112 4.645 4.665 -0.020 1
1 969 . 2 2 2 B 14 14 TYR C C 112 176.081 175.955 0.126 1
1 970 . 2 2 2 B 14 14 TYR CA C 112 58.793 59.573 -0.780 1
1 971 . 2 2 2 B 14 14 TYR CB C 112 39.436 40.918 -1.482 1
1 974 . 2 2 2 B 14 14 TYR N N 112 121.125 125.010 -3.885 1
1 975 . 2 2 2 B 15 15 THR H H 113 7.900 7.352 0.548 1
1 976 . 2 2 2 B 15 15 THR HA H 113 4.332 4.159 0.173 1
1 981 . 2 2 2 B 15 15 THR C C 113 174.413 174.413 0.000 1
1 982 . 2 2 2 B 15 15 THR CA C 113 62.187 62.821 -0.634 1
1 983 . 2 2 2 B 15 15 THR CB C 113 70.341 67.130 3.211 1
1 985 . 2 2 2 B 15 15 THR N N 113 116.394 111.611 4.783 1
1 986 . 2 2 2 B 16 16 GLU H H 114 8.283 8.497 -0.214 1
1 987 . 2 2 2 B 16 16 GLU HA H 114 4.275 4.480 -0.205 1
1 992 . 2 2 2 B 16 16 GLU C C 114 176.766 175.403 1.363 1
1 993 . 2 2 2 B 16 16 GLU CA C 114 57.410 55.710 1.700 1
1 994 . 2 2 2 B 16 16 GLU CB C 114 30.638 30.926 -0.288 1
1 996 . 2 2 2 B 16 16 GLU N N 114 123.052 125.915 -2.863 1
1 997 . 2 2 2 B 17 17 GLU H H 115 8.370 7.578 0.792 1
1 998 . 2 2 2 B 17 17 GLU HA H 115 4.325 4.745 -0.420 1
1 1003 . 2 2 2 B 17 17 GLU C C 115 176.880 173.787 3.093 1
1 1004 . 2 2 2 B 17 17 GLU CA C 115 57.410 56.221 1.189 1
1 1005 . 2 2 2 B 17 17 GLU CB C 115 30.512 33.556 -3.044 1
1 1007 . 2 2 2 B 17 17 GLU N N 115 121.688 119.936 1.752 1
1 1008 . 2 2 2 B 18 18 MET H H 116 8.314 8.797 -0.483 1
1 1009 . 2 2 2 B 18 18 MET HA H 116 4.509 5.115 -0.606 1
1 1014 . 2 2 2 B 18 18 MET C C 116 177.086 175.243 1.843 1
1 1015 . 2 2 2 B 18 18 MET CA C 116 56.279 53.888 2.391 1
1 1016 . 2 2 2 B 18 18 MET CB C 116 33.026 34.422 -1.396 1
1 1017 . 2 2 2 B 18 18 MET N N 116 121.270 125.054 -3.784 1
1 1018 . 2 2 2 B 19 19 GLY H H 117 8.384 8.923 -0.539 1
1 1019 . 2 2 2 B 19 19 GLY HA2 H 117 4.061 4.008 0.053 1
1 1020 . 2 2 2 B 19 19 GLY HA3 H 117 4.061 4.014 0.047 1
1 1021 . 2 2 2 B 19 19 GLY C C 117 174.481 172.923 1.558 1
1 1022 . 2 2 2 B 19 19 GLY CA C 117 45.847 46.434 -0.587 1
1 1023 . 2 2 2 B 19 19 GLY N N 117 110.055 114.680 -4.625 1
1 1024 . 2 2 2 B 20 20 SER H H 118 8.250 8.800 -0.550 1
1 1025 . 2 2 2 B 20 20 SER HA H 118 4.495 4.771 -0.276 1
1 1028 . 2 2 2 B 20 20 SER C C 118 175.327 173.977 1.350 1
1 1029 . 2 2 2 B 20 20 SER CA C 118 58.919 58.219 0.700 1
1 1030 . 2 2 2 B 20 20 SER CB C 118 64.575 62.810 1.765 1
1 1031 . 2 2 2 B 20 20 SER N N 118 115.664 124.050 -8.386 1
1 1032 . 2 2 2 B 21 21 GLY H H 119 8.429 8.850 -0.421 1
1 1033 . 2 2 2 B 21 21 GLY HA2 H 119 4.000 4.024 -0.024 1
1 1034 . 2 2 2 B 21 21 GLY HA3 H 119 4.000 4.035 -0.035 1
1 1035 . 2 2 2 B 21 21 GLY C C 119 174.002 172.408 1.594 1
1 1036 . 2 2 2 B 21 21 GLY CA C 119 45.721 45.436 0.285 1
1 1037 . 2 2 2 B 21 21 GLY N N 119 110.872 113.386 -2.514 1
1 1038 . 2 2 2 B 22 22 ASP H H 120 8.127 8.703 -0.576 1
1 1039 . 2 2 2 B 22 22 ASP HA H 120 4.634 5.279 -0.645 1
1 1042 . 2 2 2 B 22 22 ASP C C 120 176.355 174.559 1.796 1
1 1043 . 2 2 2 B 22 22 ASP CA C 120 54.771 54.208 0.563 1
1 1044 . 2 2 2 B 22 22 ASP CB C 120 41.699 43.165 -1.466 1
1 1045 . 2 2 2 B 22 22 ASP N N 120 120.530 123.456 -2.926 1
1 1046 . 2 2 2 B 23 23 TYR H H 121 8.097 8.686 -0.589 1
1 1047 . 2 2 2 B 23 23 TYR HA H 121 4.555 4.731 -0.176 1
1 1054 . 2 2 2 B 23 23 TYR C C 121 176.058 174.603 1.455 1
1 1055 . 2 2 2 B 23 23 TYR CA C 121 58.667 58.934 -0.267 1
1 1056 . 2 2 2 B 23 23 TYR CB C 121 39.311 40.942 -1.631 1
1 1059 . 2 2 2 B 23 23 TYR N N 121 120.584 126.327 -5.743 1
1 1060 . 2 2 2 B 24 24 ASP H H 122 8.224 7.806 0.418 1
1 1061 . 2 2 2 B 24 24 ASP HA H 122 4.621 5.020 -0.399 1
1 1064 . 2 2 2 B 24 24 ASP C C 122 176.835 174.077 2.758 1
1 1065 . 2 2 2 B 24 24 ASP CA C 122 55.022 53.677 1.345 1
1 1066 . 2 2 2 B 24 24 ASP CB C 122 41.825 43.922 -2.097 1
1 1067 . 2 2 2 B 24 24 ASP N N 122 121.815 118.747 3.068 1
1 1068 . 2 2 2 B 25 25 SER H H 123 8.137 8.757 -0.620 1
1 1069 . 2 2 2 B 25 25 SER HA H 123 4.394 5.513 -1.119 1
1 1072 . 2 2 2 B 25 25 SER C C 123 175.075 173.320 1.755 1
1 1073 . 2 2 2 B 25 25 SER CA C 123 59.547 56.612 2.935 1
1 1074 . 2 2 2 B 25 25 SER CB C 123 63.540 65.780 -2.240 1
1 1075 . 2 2 2 B 25 25 SER N N 123 116.405 114.404 2.001 1
1 1076 . 2 2 2 B 26 26 MET H H 124 8.221 8.574 -0.353 1
1 1077 . 2 2 2 B 26 26 MET HA H 124 4.500 5.035 -0.535 1
1 1082 . 2 2 2 B 26 26 MET C C 124 176.355 173.951 2.404 1
1 1083 . 2 2 2 B 26 26 MET CA C 124 56.279 54.876 1.403 1
1 1084 . 2 2 2 B 26 26 MET CB C 124 32.900 35.648 -2.748 1
1 1086 . 2 2 2 B 26 26 MET N N 124 121.210 120.298 0.912 1
1 1087 . 2 2 2 B 27 27 LYS H H 125 7.991 8.583 -0.592 1
1 1088 . 2 2 2 B 27 27 LYS HA H 125 4.352 4.884 -0.532 1
1 1097 . 2 2 2 B 27 27 LYS C C 125 176.355 175.512 0.843 1
1 1098 . 2 2 2 B 27 27 LYS CA C 125 56.656 54.896 1.760 1
1 1099 . 2 2 2 B 27 27 LYS CB C 125 33.529 35.619 -2.090 1
1 1103 . 2 2 2 B 27 27 LYS N N 125 121.457 123.781 -2.324 1
1 1104 . 2 2 2 B 28 28 GLU H H 126 8.216 8.707 -0.491 1
1 1105 . 2 2 2 B 28 28 GLU N N 126 122.890 118.768 4.122 1
1 1106 . 2 2 2 B 29 29 PRO HA H 127 4.396 4.594 -0.198 1
1 1113 . 2 2 2 B 29 29 PRO C C 127 176.812 175.050 1.762 1
1 1114 . 2 2 2 B 29 29 PRO CA C 127 63.821 62.283 1.538 1
1 1115 . 2 2 2 B 29 29 PRO CB C 127 32.272 33.182 -0.910 1
1 1118 . 2 2 2 B 30 30 ALA H H 128 8.282 8.090 0.192 1
1 1119 . 2 2 2 B 30 30 ALA HA H 128 4.316 4.673 -0.357 1
1 1123 . 2 2 2 B 30 30 ALA C C 128 177.589 177.336 0.253 1
1 1124 . 2 2 2 B 30 30 ALA CA C 128 53.192 50.908 2.284 1
1 1125 . 2 2 2 B 30 30 ALA CB C 128 19.703 22.087 -2.384 1
1 1126 . 2 2 2 B 30 30 ALA N N 128 123.577 121.385 2.192 1
1 1127 . 2 2 2 B 31 31 PHE H H 129 8.035 8.783 -0.748 1
1 1128 . 2 2 2 B 31 31 PHE HA H 129 4.637 4.387 0.250 1
1 1135 . 2 2 2 B 31 31 PHE C C 129 175.624 176.167 -0.543 1
1 1136 . 2 2 2 B 31 31 PHE CA C 129 58.039 60.379 -2.340 1
1 1137 . 2 2 2 B 31 31 PHE CB C 129 40.065 38.776 1.289 1
1 1140 . 2 2 2 B 31 31 PHE N N 129 118.994 121.030 -2.036 1
1 1141 . 2 2 2 B 32 32 ARG H H 130 8.066 7.818 0.248 1
1 1142 . 2 2 2 B 32 32 ARG HA H 130 4.351 4.560 -0.209 1
1 1149 . 2 2 2 B 32 32 ARG C C 130 175.875 175.526 0.349 1
1 1150 . 2 2 2 B 32 32 ARG CA C 130 56.154 54.970 1.184 1
1 1151 . 2 2 2 B 32 32 ARG CB C 130 31.643 32.065 -0.422 1
1 1154 . 2 2 2 B 32 32 ARG N N 130 123.094 118.199 4.895 1
1 1155 . 2 2 2 B 33 33 GLU H H 131 8.389 8.897 -0.508 1
1 1156 . 2 2 2 B 33 33 GLU HA H 131 4.295 4.368 -0.073 1
1 1161 . 2 2 2 B 33 33 GLU C C 131 176.766 175.657 1.109 1
1 1162 . 2 2 2 B 33 33 GLU CA C 131 57.285 58.366 -1.081 1
1 1163 . 2 2 2 B 33 33 GLU CB C 131 30.512 28.738 1.774 1
1 1165 . 2 2 2 B 33 33 GLU N N 131 122.719 117.255 5.464 1
1 1166 . 2 2 2 B 34 34 GLU H H 132 8.526 8.849 -0.323 1
1 1167 . 2 2 2 B 34 34 GLU HA H 132 4.321 4.717 -0.396 1
1 1172 . 2 2 2 B 34 34 GLU C C 132 176.560 176.205 0.355 1
1 1173 . 2 2 2 B 34 34 GLU CA C 132 57.400 55.677 1.723 1
1 1174 . 2 2 2 B 34 34 GLU CB C 132 30.512 31.064 -0.552 1
1 1176 . 2 2 2 B 34 34 GLU N N 132 122.122 119.638 2.484 1
1 1177 . 2 2 2 B 35 35 ASN H H 133 8.379 7.705 0.674 1
1 1178 . 2 2 2 B 35 35 ASN HA H 133 4.712 4.952 -0.240 1
1 1181 . 2 2 2 B 35 35 ASN C C 133 175.258 174.470 0.788 1
1 1182 . 2 2 2 B 35 35 ASN CA C 133 53.765 52.952 0.813 1
1 1183 . 2 2 2 B 35 35 ASN CB C 133 39.562 39.194 0.368 1
1 1184 . 2 2 2 B 35 35 ASN N N 133 119.552 120.305 -0.753 1
1 1185 . 2 2 2 B 36 36 ALA H H 134 8.175 8.674 -0.499 1
1 1186 . 2 2 2 B 36 36 ALA HA H 134 4.308 4.907 -0.599 1
1 1190 . 2 2 2 B 36 36 ALA C C 134 177.520 175.810 1.710 1
1 1191 . 2 2 2 B 36 36 ALA CA C 134 53.192 51.030 2.162 1
1 1192 . 2 2 2 B 36 36 ALA CB C 134 19.703 19.976 -0.273 1
1 1193 . 2 2 2 B 36 36 ALA N N 134 124.376 129.264 -4.888 1
1 1194 . 2 2 2 B 37 37 ASN H H 135 8.238 8.614 -0.376 1
1 1195 . 2 2 2 B 37 37 ASN HA H 135 4.713 5.299 -0.586 1
1 1198 . 2 2 2 B 37 37 ASN C C 135 175.144 174.480 0.664 1
1 1199 . 2 2 2 B 37 37 ASN CA C 135 53.640 52.305 1.335 1
1 1200 . 2 2 2 B 37 37 ASN CB C 135 39.311 41.181 -1.870 1
1 1201 . 2 2 2 B 37 37 ASN N N 135 117.103 120.360 -3.257 1
1 1202 . 2 2 2 B 38 38 PHE H H 136 7.997 8.932 -0.935 1
1 1203 . 2 2 2 B 38 38 PHE HA H 136 4.678 4.602 0.076 1
1 1210 . 2 2 2 B 38 38 PHE C C 136 175.601 174.798 0.803 1
1 1211 . 2 2 2 B 38 38 PHE CA C 136 58.165 59.675 -1.510 1
1 1212 . 2 2 2 B 38 38 PHE CB C 136 39.939 40.406 -0.467 1
1 1215 . 2 2 2 B 38 38 PHE N N 136 120.229 119.223 1.006 1
1 1216 . 2 2 2 B 39 39 ASN H H 137 8.272 7.839 0.433 1
1 1217 . 2 2 2 B 39 39 ASN HA H 137 4.752 5.053 -0.301 1
1 1220 . 2 2 2 B 39 39 ASN C C 137 174.047 173.027 1.020 1
1 1221 . 2 2 2 B 39 39 ASN CA C 137 53.891 53.098 0.793 1
1 1222 . 2 2 2 B 39 39 ASN CB C 137 39.688 41.628 -1.940 1
1 1223 . 2 2 2 B 39 39 ASN N N 137 120.594 115.637 4.957 1
1 3 . 3 1 1 A 4 4 PRO HA H 2 4.509 4.663 -0.154 1
1 10 . 3 1 1 A 4 4 PRO C C 2 177.132 176.310 0.822 1
1 11 . 3 1 1 A 4 4 PRO CA C 2 63.529 62.274 1.255 1
1 12 . 3 1 1 A 4 4 PRO CB C 2 32.476 32.962 -0.486 1
1 15 . 3 1 1 A 5 5 VAL H H 3 8.201 8.311 -0.110 1
1 16 . 3 1 1 A 5 5 VAL HA H 3 4.152 4.758 -0.606 1
1 24 . 3 1 1 A 5 5 VAL C C 3 176.423 174.866 1.557 1
1 25 . 3 1 1 A 5 5 VAL CA C 3 62.873 59.826 3.047 1
1 26 . 3 1 1 A 5 5 VAL CB C 3 33.455 33.633 -0.178 1
1 28 . 3 1 1 A 5 5 VAL N N 3 120.488 116.288 4.200 1
1 29 . 3 1 1 A 6 6 SER H H 4 8.276 8.874 -0.598 1
1 30 . 3 1 1 A 6 6 SER HA H 4 4.494 5.049 -0.555 1
1 33 . 3 1 1 A 6 6 SER C C 4 174.687 172.367 2.320 1
1 34 . 3 1 1 A 6 6 SER CA C 4 58.375 57.304 1.071 1
1 35 . 3 1 1 A 6 6 SER CB C 4 64.295 66.905 -2.610 1
1 36 . 3 1 1 A 6 6 SER N N 4 119.000 120.635 -1.635 1
1 37 . 3 1 1 A 7 7 LEU H H 5 8.238 8.823 -0.585 1
1 38 . 3 1 1 A 7 7 LEU HA H 5 4.406 4.834 -0.428 1
1 44 . 3 1 1 A 7 7 LEU C C 5 177.406 175.791 1.615 1
1 45 . 3 1 1 A 7 7 LEU CA C 5 55.766 53.870 1.896 1
1 46 . 3 1 1 A 7 7 LEU CB C 5 43.083 43.769 -0.686 1
1 48 . 3 1 1 A 7 7 LEU N N 5 124.704 124.499 0.205 1
1 49 . 3 1 1 A 8 8 SER H H 6 8.148 8.515 -0.367 1
1 50 . 3 1 1 A 8 8 SER HA H 6 4.438 5.341 -0.903 1
1 53 . 3 1 1 A 8 8 SER C C 6 174.321 174.518 -0.197 1
1 54 . 3 1 1 A 8 8 SER CA C 6 58.718 56.205 2.513 1
1 55 . 3 1 1 A 8 8 SER CB C 6 64.295 65.515 -1.220 1
1 56 . 3 1 1 A 8 8 SER N N 6 115.960 118.537 -2.577 1
1 57 . 3 1 1 A 9 9 TYR H H 7 7.954 8.712 -0.758 1
1 58 . 3 1 1 A 9 9 TYR HA H 7 4.585 4.785 -0.200 1
1 65 . 3 1 1 A 9 9 TYR C C 7 175.532 175.851 -0.319 1
1 66 . 3 1 1 A 9 9 TYR CA C 7 58.335 57.304 1.031 1
1 67 . 3 1 1 A 9 9 TYR CB C 7 39.474 39.036 0.438 1
1 70 . 3 1 1 A 9 9 TYR N N 7 121.884 120.965 0.919 1
1 71 . 3 1 1 A 10 10 ARG H H 8 8.117 7.768 0.349 1
1 72 . 3 1 1 A 10 10 ARG HA H 8 4.349 4.451 -0.102 1
1 79 . 3 1 1 A 10 10 ARG C C 8 175.898 175.448 0.450 1
1 80 . 3 1 1 A 10 10 ARG CA C 8 56.048 55.756 0.292 1
1 81 . 3 1 1 A 10 10 ARG CB C 8 31.492 30.723 0.769 1
1 84 . 3 1 1 A 10 10 ARG N N 8 121.977 119.870 2.107 1
1 85 . 3 1 1 A 11 11 CYS H H 9 8.127 8.582 -0.455 1
1 86 . 3 1 1 A 11 11 CYS HA H 9 5.004 4.931 0.073 1
1 89 . 3 1 1 A 11 11 CYS C C 9 177.771 173.433 4.338 1
1 90 . 3 1 1 A 11 11 CYS CA C 9 53.192 53.225 -0.033 1
1 91 . 3 1 1 A 11 11 CYS CB C 9 40.897 44.217 -3.320 1
1 92 . 3 1 1 A 11 11 CYS N N 9 121.209 122.002 -0.793 1
1 93 . 3 1 1 A 12 12 PRO HA H 10 4.340 4.411 -0.071 1
1 100 . 3 1 1 A 12 12 PRO CA C 10 65.478 64.507 0.971 1
1 101 . 3 1 1 A 12 12 PRO CB C 10 32.904 31.813 1.091 1
1 104 . 3 1 1 A 13 13 CYS H H 11 8.662 8.007 0.655 1
1 105 . 3 1 1 A 13 13 CYS C C 11 174.618 173.752 0.866 1
1 106 . 3 1 1 A 13 13 CYS N N 11 114.595 115.826 -1.231 1
1 107 . 3 1 1 A 14 14 ARG H H 12 8.236 8.945 -0.709 1
1 108 . 3 1 1 A 14 14 ARG HA H 12 4.075 4.156 -0.081 1
1 115 . 3 1 1 A 14 14 ARG C C 12 175.098 175.544 -0.446 1
1 116 . 3 1 1 A 14 14 ARG CA C 12 57.370 57.861 -0.491 1
1 117 . 3 1 1 A 14 14 ARG CB C 12 31.631 31.259 0.372 1
1 120 . 3 1 1 A 14 14 ARG N N 12 122.779 128.374 -5.595 1
1 121 . 3 1 1 A 15 15 PHE H H 13 7.603 7.850 -0.247 1
1 122 . 3 1 1 A 15 15 PHE HA H 13 4.515 5.307 -0.792 1
1 129 . 3 1 1 A 15 15 PHE C C 13 174.162 175.269 -1.107 1
1 130 . 3 1 1 A 15 15 PHE CA C 13 56.289 56.413 -0.124 1
1 131 . 3 1 1 A 15 15 PHE CB C 13 41.320 42.687 -1.367 1
1 134 . 3 1 1 A 15 15 PHE N N 13 116.797 115.124 1.673 1
1 135 . 3 1 1 A 16 16 PHE H H 14 8.112 8.918 -0.806 1
1 136 . 3 1 1 A 16 16 PHE HA H 14 4.783 5.641 -0.858 1
1 143 . 3 1 1 A 16 16 PHE C C 14 175.441 172.899 2.542 1
1 144 . 3 1 1 A 16 16 PHE CA C 14 55.767 55.140 0.627 1
1 145 . 3 1 1 A 16 16 PHE CB C 14 41.320 42.703 -1.383 1
1 148 . 3 1 1 A 16 16 PHE N N 14 118.930 118.112 0.818 1
1 149 . 3 1 1 A 17 17 GLU H H 15 8.820 9.715 -0.895 1
1 150 . 3 1 1 A 17 17 GLU HA H 15 4.616 4.693 -0.077 1
1 155 . 3 1 1 A 17 17 GLU C C 15 176.857 175.309 1.548 1
1 156 . 3 1 1 A 17 17 GLU CA C 15 56.289 56.172 0.117 1
1 157 . 3 1 1 A 17 17 GLU CB C 15 31.173 30.480 0.693 1
1 159 . 3 1 1 A 17 17 GLU N N 15 122.825 120.396 2.429 1
1 160 . 3 1 1 A 18 18 SER H H 16 8.746 9.018 -0.272 1
1 161 . 3 1 1 A 18 18 SER HA H 16 4.759 5.189 -0.430 1
1 164 . 3 1 1 A 18 18 SER C C 16 177.497 174.065 3.432 1
1 165 . 3 1 1 A 18 18 SER CA C 16 59.328 56.176 3.152 1
1 166 . 3 1 1 A 18 18 SER CB C 16 64.515 66.227 -1.712 1
1 167 . 3 1 1 A 18 18 SER N N 16 118.860 119.908 -1.048 1
1 168 . 3 1 1 A 19 19 HIS H H 17 8.761 8.528 0.233 1
1 169 . 3 1 1 A 19 19 HIS HA H 17 4.859 4.177 0.682 1
1 174 . 3 1 1 A 19 19 HIS C C 17 174.618 174.211 0.407 1
1 175 . 3 1 1 A 19 19 HIS CA C 17 56.449 57.213 -0.764 1
1 176 . 3 1 1 A 19 19 HIS CB C 17 29.870 26.665 3.205 1
1 179 . 3 1 1 A 19 19 HIS N N 17 120.535 119.030 1.505 1
1 180 . 3 1 1 A 20 20 VAL H H 18 7.211 7.989 -0.778 1
1 181 . 3 1 1 A 20 20 VAL HA H 18 4.160 4.083 0.077 1
1 189 . 3 1 1 A 20 20 VAL C C 18 174.436 175.229 -0.793 1
1 190 . 3 1 1 A 20 20 VAL CA C 18 62.167 62.724 -0.557 1
1 191 . 3 1 1 A 20 20 VAL CB C 18 34.426 33.067 1.359 1
1 193 . 3 1 1 A 20 20 VAL N N 18 120.872 120.461 0.411 1
1 194 . 3 1 1 A 21 21 ALA H H 19 8.535 8.696 -0.161 1
1 195 . 3 1 1 A 21 21 ALA HA H 19 4.402 4.285 0.117 1
1 199 . 3 1 1 A 21 21 ALA C C 19 177.657 178.321 -0.664 1
1 200 . 3 1 1 A 21 21 ALA CA C 19 51.193 52.158 -0.965 1
1 201 . 3 1 1 A 21 21 ALA CB C 19 19.790 18.848 0.942 1
1 202 . 3 1 1 A 21 21 ALA N N 19 131.339 129.847 1.492 1
1 203 . 3 1 1 A 22 22 ARG H H 20 7.815 8.537 -0.722 1
1 204 . 3 1 1 A 22 22 ARG HA H 20 2.495 3.414 -0.919 1
1 211 . 3 1 1 A 22 22 ARG C C 20 178.365 177.017 1.348 1
1 212 . 3 1 1 A 22 22 ARG CA C 20 59.379 57.924 1.455 1
1 213 . 3 1 1 A 22 22 ARG CB C 20 29.572 29.153 0.419 1
1 216 . 3 1 1 A 22 22 ARG N N 20 124.365 125.295 -0.930 1
1 217 . 3 1 1 A 23 23 ALA H H 21 8.135 7.508 0.627 1
1 218 . 3 1 1 A 23 23 ALA HA H 21 4.070 4.079 -0.009 1
1 222 . 3 1 1 A 23 23 ALA C C 21 178.000 177.886 0.114 1
1 223 . 3 1 1 A 23 23 ALA CA C 21 54.100 53.043 1.057 1
1 224 . 3 1 1 A 23 23 ALA CB C 21 18.713 18.778 -0.065 1
1 225 . 3 1 1 A 23 23 ALA N N 21 117.156 121.322 -4.166 1
1 226 . 3 1 1 A 24 24 ASN H H 22 7.712 7.926 -0.214 1
1 227 . 3 1 1 A 24 24 ASN HA H 22 5.008 4.782 0.226 1
1 232 . 3 1 1 A 24 24 ASN C C 22 174.938 174.905 0.033 1
1 233 . 3 1 1 A 24 24 ASN CA C 22 52.869 52.819 0.050 1
1 234 . 3 1 1 A 24 24 ASN CB C 22 40.573 39.027 1.546 1
1 235 . 3 1 1 A 24 24 ASN N N 22 112.819 115.213 -2.394 1
1 237 . 3 1 1 A 25 25 VAL H H 23 7.508 7.466 0.042 1
1 238 . 3 1 1 A 25 25 VAL HA H 23 4.896 4.371 0.525 1
1 246 . 3 1 1 A 25 25 VAL C C 23 175.829 175.314 0.515 1
1 247 . 3 1 1 A 25 25 VAL CA C 23 59.870 60.207 -0.337 1
1 248 . 3 1 1 A 25 25 VAL CB C 23 35.396 33.579 1.817 1
1 251 . 3 1 1 A 25 25 VAL N N 23 119.721 119.492 0.229 1
1 252 . 3 1 1 A 26 26 LYS H H 24 9.483 9.283 0.200 1
1 253 . 3 1 1 A 26 26 LYS HA H 24 4.350 4.356 -0.006 1
1 262 . 3 1 1 A 26 26 LYS C C 24 176.606 176.337 0.269 1
1 263 . 3 1 1 A 26 26 LYS CA C 24 58.977 57.019 1.958 1
1 264 . 3 1 1 A 26 26 LYS CB C 24 34.567 33.242 1.325 1
1 268 . 3 1 1 A 26 26 LYS N N 24 128.029 125.893 2.136 1
1 269 . 3 1 1 A 27 27 HIS H H 25 7.223 7.735 -0.512 1
1 270 . 3 1 1 A 27 27 HIS HA H 25 4.979 4.912 0.067 1
1 275 . 3 1 1 A 27 27 HIS C C 25 178.434 172.534 5.900 1
1 276 . 3 1 1 A 27 27 HIS CA C 25 55.406 54.767 0.639 1
1 277 . 3 1 1 A 27 27 HIS CB C 25 32.904 31.040 1.864 1
1 280 . 3 1 1 A 27 27 HIS N N 25 109.556 114.040 -4.484 1
1 281 . 3 1 1 A 28 28 LEU H H 26 8.149 8.747 -0.598 1
1 282 . 3 1 1 A 28 28 LEU HA H 26 5.190 5.522 -0.332 1
1 292 . 3 1 1 A 28 28 LEU C C 26 175.510 175.365 0.145 1
1 293 . 3 1 1 A 28 28 LEU CA C 26 53.480 53.401 0.079 1
1 294 . 3 1 1 A 28 28 LEU CB C 26 45.235 45.333 -0.098 1
1 298 . 3 1 1 A 28 28 LEU N N 26 117.106 120.048 -2.942 1
1 299 . 3 1 1 A 29 29 LYS H H 27 9.578 9.412 0.166 1
1 300 . 3 1 1 A 29 29 LYS HA H 27 5.385 5.131 0.254 1
1 309 . 3 1 1 A 29 29 LYS C C 27 174.801 174.662 0.139 1
1 310 . 3 1 1 A 29 29 LYS CA C 27 55.165 54.651 0.514 1
1 311 . 3 1 1 A 29 29 LYS CB C 27 35.253 35.422 -0.169 1
1 315 . 3 1 1 A 29 29 LYS N N 27 123.488 122.850 0.638 1
1 316 . 3 1 1 A 30 30 ILE H H 28 9.133 9.090 0.043 1
1 317 . 3 1 1 A 30 30 ILE HA H 28 4.925 5.069 -0.144 1
1 327 . 3 1 1 A 30 30 ILE C C 28 176.949 175.487 1.462 1
1 328 . 3 1 1 A 30 30 ILE CA C 28 60.542 59.291 1.251 1
1 329 . 3 1 1 A 30 30 ILE CB C 28 39.600 38.608 0.992 1
1 333 . 3 1 1 A 30 30 ILE N N 28 123.846 128.390 -4.544 1
1 334 . 3 1 1 A 31 31 LEU H H 29 8.830 9.442 -0.612 1
1 335 . 3 1 1 A 31 31 LEU HA H 29 4.533 5.271 -0.738 1
1 344 . 3 1 1 A 31 31 LEU C C 29 176.012 174.551 1.461 1
1 345 . 3 1 1 A 31 31 LEU CA C 29 55.406 52.881 2.525 1
1 346 . 3 1 1 A 31 31 LEU CB C 29 43.180 46.340 -3.160 1
1 349 . 3 1 1 A 31 31 LEU N N 29 128.649 124.602 4.047 1
1 350 . 3 1 1 A 32 32 ASN H H 30 8.211 8.958 -0.747 1
1 351 . 3 1 1 A 32 32 ASN HA H 30 5.014 5.247 -0.233 1
1 356 . 3 1 1 A 32 32 ASN C C 30 174.664 174.048 0.616 1
1 357 . 3 1 1 A 32 32 ASN CA C 30 52.517 51.813 0.704 1
1 358 . 3 1 1 A 32 32 ASN CB C 30 38.776 40.690 -1.914 1
1 359 . 3 1 1 A 32 32 ASN N N 30 120.791 119.746 1.045 1
1 361 . 3 1 1 A 33 33 THR H H 31 7.896 8.707 -0.811 1
1 362 . 3 1 1 A 33 33 THR HA H 31 4.842 4.948 -0.106 1
1 367 . 3 1 1 A 33 33 THR CA C 31 58.369 58.670 -0.301 1
1 368 . 3 1 1 A 33 33 THR CB C 31 70.011 69.678 0.333 1
1 370 . 3 1 1 A 33 33 THR N N 31 115.811 116.808 -0.997 1
1 371 . 3 1 1 A 34 34 PRO HA H 32 4.317 4.241 0.076 1
1 378 . 3 1 1 A 34 34 PRO CA C 32 65.164 65.375 -0.211 1
1 379 . 3 1 1 A 34 34 PRO CB C 32 32.484 31.630 0.854 1
1 382 . 3 1 1 A 35 35 ASN H H 33 8.256 8.188 0.068 1
1 383 . 3 1 1 A 35 35 ASN HA H 33 4.651 4.779 -0.128 1
1 388 . 3 1 1 A 35 35 ASN C C 33 174.710 174.933 -0.223 1
1 389 . 3 1 1 A 35 35 ASN CA C 33 54.532 53.542 0.990 1
1 390 . 3 1 1 A 35 35 ASN CB C 33 39.167 38.643 0.524 1
1 391 . 3 1 1 A 35 35 ASN N N 33 120.081 114.860 5.221 1
1 393 . 3 1 1 A 36 36 CYS H H 34 7.548 7.809 -0.261 1
1 394 . 3 1 1 A 36 36 CYS HA H 34 4.693 4.880 -0.187 1
1 397 . 3 1 1 A 36 36 CYS C C 34 173.865 172.669 1.196 1
1 398 . 3 1 1 A 36 36 CYS CA C 34 55.447 54.270 1.177 1
1 399 . 3 1 1 A 36 36 CYS CB C 34 45.228 45.891 -0.663 1
1 400 . 3 1 1 A 36 36 CYS N N 34 117.076 116.165 0.911 1
1 401 . 3 1 1 A 37 37 ALA H H 35 8.469 8.447 0.022 1
1 402 . 3 1 1 A 37 37 ALA HA H 35 4.252 4.265 -0.013 1
1 406 . 3 1 1 A 37 37 ALA C C 35 176.423 177.116 -0.693 1
1 407 . 3 1 1 A 37 37 ALA CA C 35 53.537 52.005 1.532 1
1 408 . 3 1 1 A 37 37 ALA CB C 35 19.202 19.748 -0.546 1
1 409 . 3 1 1 A 37 37 ALA N N 35 125.153 125.853 -0.700 1
1 410 . 3 1 1 A 38 38 CYS H H 36 8.315 8.334 -0.019 1
1 411 . 3 1 1 A 38 38 CYS HA H 36 4.211 4.251 -0.040 1
1 414 . 3 1 1 A 38 38 CYS C C 36 173.705 173.968 -0.263 1
1 415 . 3 1 1 A 38 38 CYS CA C 36 58.616 59.447 -0.831 1
1 416 . 3 1 1 A 38 38 CYS CB C 36 45.705 28.218 17.487 1
1 417 . 3 1 1 A 38 38 CYS N N 36 118.837 118.641 0.196 1
1 418 . 3 1 1 A 39 39 GLN H H 37 8.926 8.881 0.045 1
1 419 . 3 1 1 A 39 39 GLN HA H 37 4.609 4.776 -0.167 1
1 426 . 3 1 1 A 39 39 GLN C C 37 173.636 174.543 -0.907 1
1 427 . 3 1 1 A 39 39 GLN CA C 37 54.603 54.929 -0.326 1
1 428 . 3 1 1 A 39 39 GLN CB C 37 31.761 30.365 1.396 1
1 430 . 3 1 1 A 39 39 GLN N N 37 128.567 128.215 0.352 1
1 432 . 3 1 1 A 40 40 ILE H H 38 8.874 9.040 -0.166 1
1 433 . 3 1 1 A 40 40 ILE HA H 38 5.093 4.913 0.180 1
1 443 . 3 1 1 A 40 40 ILE C C 38 174.390 174.668 -0.278 1
1 444 . 3 1 1 A 40 40 ILE CA C 38 60.582 59.966 0.616 1
1 445 . 3 1 1 A 40 40 ILE CB C 38 40.048 39.846 0.202 1
1 449 . 3 1 1 A 40 40 ILE N N 38 123.962 127.244 -3.282 1
1 450 . 3 1 1 A 41 41 VAL H H 39 9.120 9.370 -0.250 1
1 451 . 3 1 1 A 41 41 VAL HA H 39 4.905 4.807 0.098 1
1 459 . 3 1 1 A 41 41 VAL C C 39 175.487 174.966 0.521 1
1 460 . 3 1 1 A 41 41 VAL CA C 39 59.980 61.029 -1.049 1
1 461 . 3 1 1 A 41 41 VAL CB C 39 35.868 34.468 1.400 1
1 464 . 3 1 1 A 41 41 VAL N N 39 126.354 128.854 -2.500 1
1 465 . 3 1 1 A 42 42 ALA H H 40 9.513 9.391 0.122 1
1 466 . 3 1 1 A 42 42 ALA HA H 40 5.154 5.485 -0.331 1
1 470 . 3 1 1 A 42 42 ALA C C 40 175.944 174.852 1.092 1
1 471 . 3 1 1 A 42 42 ALA CA C 40 50.591 50.481 0.110 1
1 472 . 3 1 1 A 42 42 ALA CB C 40 22.432 22.548 -0.116 1
1 473 . 3 1 1 A 42 42 ALA N N 40 128.406 127.978 0.428 1
1 474 . 3 1 1 A 43 43 ARG H H 41 7.706 8.786 -1.080 1
1 475 . 3 1 1 A 43 43 ARG HA H 41 4.978 4.869 0.109 1
1 482 . 3 1 1 A 43 43 ARG C C 41 175.510 175.969 -0.459 1
1 483 . 3 1 1 A 43 43 ARG CA C 41 54.162 55.087 -0.925 1
1 484 . 3 1 1 A 43 43 ARG CB C 41 31.200 31.942 -0.742 1
1 487 . 3 1 1 A 43 43 ARG N N 41 121.663 123.578 -1.915 1
1 488 . 3 1 1 A 44 44 LEU H H 42 9.164 8.593 0.571 1
1 489 . 3 1 1 A 44 44 LEU HA H 42 5.023 4.461 0.562 1
1 499 . 3 1 1 A 44 44 LEU C C 42 177.840 177.874 -0.034 1
1 500 . 3 1 1 A 44 44 LEU CA C 42 54.724 55.491 -0.767 1
1 501 . 3 1 1 A 44 44 LEU CB C 42 41.712 41.817 -0.105 1
1 505 . 3 1 1 A 44 44 LEU N N 42 129.087 128.127 0.960 1
1 506 . 3 1 1 A 45 45 LYS H H 43 8.414 9.052 -0.638 1
1 507 . 3 1 1 A 45 45 LYS HA H 43 3.954 4.082 -0.128 1
1 516 . 3 1 1 A 45 45 LYS CA C 43 59.016 58.826 0.190 1
1 517 . 3 1 1 A 45 45 LYS CB C 43 34.102 32.704 1.398 1
1 520 . 3 1 1 A 45 45 LYS N N 43 119.674 122.279 -2.605 1
1 521 . 3 1 1 A 48 48 ASN HA H 46 4.723 4.942 -0.219 1
1 526 . 3 1 1 A 48 48 ASN C C 46 175.098 174.354 0.744 1
1 527 . 3 1 1 A 48 48 ASN CA C 46 54.764 54.253 0.511 1
1 528 . 3 1 1 A 48 48 ASN CB C 46 39.265 41.512 -2.247 1
1 530 . 3 1 1 A 49 49 ARG H H 47 7.914 8.070 -0.156 1
1 531 . 3 1 1 A 49 49 ARG HA H 47 4.352 4.767 -0.415 1
1 538 . 3 1 1 A 49 49 ARG C C 47 175.601 173.944 1.657 1
1 539 . 3 1 1 A 49 49 ARG CA C 47 57.051 54.152 2.899 1
1 540 . 3 1 1 A 49 49 ARG CB C 47 32.121 33.348 -1.227 1
1 543 . 3 1 1 A 49 49 ARG N N 47 119.826 116.635 3.191 1
1 544 . 3 1 1 A 50 50 GLN H H 48 8.542 8.714 -0.172 1
1 545 . 3 1 1 A 50 50 GLN HA H 48 5.495 5.045 0.450 1
1 552 . 3 1 1 A 50 50 GLN C C 48 175.578 175.504 0.074 1
1 553 . 3 1 1 A 50 50 GLN CA C 48 55.125 54.710 0.415 1
1 554 . 3 1 1 A 50 50 GLN CB C 48 32.121 30.804 1.317 1
1 556 . 3 1 1 A 50 50 GLN N N 48 120.767 120.780 -0.013 1
1 558 . 3 1 1 A 51 51 VAL H H 49 8.649 9.331 -0.682 1
1 559 . 3 1 1 A 51 51 VAL HA H 49 4.833 4.924 -0.091 1
1 567 . 3 1 1 A 51 51 VAL C C 49 175.258 173.802 1.456 1
1 568 . 3 1 1 A 51 51 VAL CA C 49 59.338 59.635 -0.297 1
1 569 . 3 1 1 A 51 51 VAL CB C 49 36.155 34.609 1.546 1
1 572 . 3 1 1 A 51 51 VAL N N 49 116.678 119.469 -2.791 1
1 573 . 3 1 1 A 52 52 CYS H H 50 9.099 9.124 -0.025 1
1 574 . 3 1 1 A 52 52 CYS HA H 50 5.308 5.375 -0.067 1
1 577 . 3 1 1 A 52 52 CYS C C 50 174.527 172.708 1.819 1
1 578 . 3 1 1 A 52 52 CYS CA C 50 58.054 54.542 3.512 1
1 579 . 3 1 1 A 52 52 CYS CB C 50 43.375 45.654 -2.279 1
1 580 . 3 1 1 A 52 52 CYS N N 50 124.549 120.763 3.786 1
1 581 . 3 1 1 A 53 53 ILE H H 51 8.479 9.229 -0.750 1
1 582 . 3 1 1 A 53 53 ILE HA H 51 4.974 4.999 -0.025 1
1 592 . 3 1 1 A 53 53 ILE C C 51 173.019 174.853 -1.834 1
1 593 . 3 1 1 A 53 53 ILE CA C 51 58.897 59.784 -0.887 1
1 594 . 3 1 1 A 53 53 ILE CB C 51 42.201 41.510 0.691 1
1 598 . 3 1 1 A 53 53 ILE N N 51 122.581 125.688 -3.107 1
1 599 . 3 1 1 A 54 54 ASP H H 52 7.642 8.432 -0.790 1
1 600 . 3 1 1 A 54 54 ASP HA H 52 3.619 4.299 -0.680 1
1 603 . 3 1 1 A 54 54 ASP CA C 52 51.574 51.512 0.062 1
1 604 . 3 1 1 A 54 54 ASP CB C 52 42.515 41.323 1.192 1
1 605 . 3 1 1 A 54 54 ASP N N 52 125.772 126.113 -0.341 1
1 606 . 3 1 1 A 55 55 PRO HA H 53 4.023 4.375 -0.352 1
1 613 . 3 1 1 A 55 55 PRO C C 53 176.126 176.378 -0.252 1
1 614 . 3 1 1 A 55 55 PRO CA C 53 63.993 64.010 -0.017 1
1 615 . 3 1 1 A 55 55 PRO CB C 53 33.002 31.503 1.499 1
1 618 . 3 1 1 A 56 56 LYS H H 54 7.930 7.720 0.210 1
1 619 . 3 1 1 A 56 56 LYS HA H 54 4.000 4.355 -0.355 1
1 628 . 3 1 1 A 56 56 LYS C C 54 177.931 176.266 1.665 1
1 629 . 3 1 1 A 56 56 LYS CA C 54 56.770 55.707 1.063 1
1 630 . 3 1 1 A 56 56 LYS CB C 54 32.023 32.892 -0.869 1
1 634 . 3 1 1 A 56 56 LYS N N 54 112.924 115.934 -3.010 1
1 635 . 3 1 1 A 57 57 LEU H H 55 7.161 6.916 0.245 1
1 636 . 3 1 1 A 57 57 LEU HA H 55 4.065 4.099 -0.034 1
1 646 . 3 1 1 A 57 57 LEU C C 55 179.416 177.662 1.754 1
1 647 . 3 1 1 A 57 57 LEU CA C 55 56.088 55.154 0.934 1
1 648 . 3 1 1 A 57 57 LEU CB C 55 42.397 41.673 0.724 1
1 652 . 3 1 1 A 57 57 LEU N N 55 120.593 121.517 -0.924 1
1 653 . 3 1 1 A 58 58 LYS H H 56 8.716 8.797 -0.081 1
1 654 . 3 1 1 A 58 58 LYS HA H 56 3.937 3.842 0.095 1
1 663 . 3 1 1 A 58 58 LYS C C 56 178.937 178.216 0.721 1
1 664 . 3 1 1 A 58 58 LYS CA C 56 60.301 59.526 0.775 1
1 665 . 3 1 1 A 58 58 LYS CB C 56 32.121 32.027 0.094 1
1 669 . 3 1 1 A 58 58 LYS N N 56 125.479 124.328 1.151 1
1 670 . 3 1 1 A 59 59 TRP H H 57 7.827 8.229 -0.402 1
1 671 . 3 1 1 A 59 59 TRP HA H 57 4.664 4.516 0.148 1
1 680 . 3 1 1 A 59 59 TRP C C 57 178.868 179.346 -0.478 1
1 681 . 3 1 1 A 59 59 TRP CA C 57 58.897 59.868 -0.971 1
1 682 . 3 1 1 A 59 59 TRP CB C 57 28.036 28.034 0.002 1
1 688 . 3 1 1 A 59 59 TRP N N 57 113.433 119.220 -5.787 1
1 690 . 3 1 1 A 60 60 ILE H H 58 6.458 7.506 -1.048 1
1 691 . 3 1 1 A 60 60 ILE HA H 58 3.325 3.402 -0.077 1
1 701 . 3 1 1 A 60 60 ILE C C 58 177.726 177.734 -0.008 1
1 702 . 3 1 1 A 60 60 ILE CA C 58 64.314 64.726 -0.412 1
1 703 . 3 1 1 A 60 60 ILE CB C 58 35.897 37.017 -1.120 1
1 707 . 3 1 1 A 60 60 ILE N N 58 124.379 122.483 1.896 1
1 708 . 3 1 1 A 61 61 GLN H H 59 7.622 8.325 -0.703 1
1 709 . 3 1 1 A 61 61 GLN HA H 59 3.763 3.894 -0.131 1
1 716 . 3 1 1 A 61 61 GLN C C 59 178.434 179.044 -0.610 1
1 717 . 3 1 1 A 61 61 GLN CA C 59 59.379 59.280 0.099 1
1 718 . 3 1 1 A 61 61 GLN CB C 59 28.602 28.340 0.262 1
1 720 . 3 1 1 A 61 61 GLN N N 59 119.070 118.245 0.825 1
1 722 . 3 1 1 A 62 62 GLU H H 60 8.064 8.188 -0.124 1
1 723 . 3 1 1 A 62 62 GLU HA H 60 4.093 4.104 -0.011 1
1 728 . 3 1 1 A 62 62 GLU C C 60 179.051 178.934 0.117 1
1 729 . 3 1 1 A 62 62 GLU CA C 60 59.659 59.356 0.303 1
1 730 . 3 1 1 A 62 62 GLU CB C 60 30.457 29.616 0.841 1
1 732 . 3 1 1 A 62 62 GLU N N 60 117.166 120.207 -3.041 1
1 733 . 3 1 1 A 63 63 TYR H H 61 7.913 8.214 -0.301 1
1 734 . 3 1 1 A 63 63 TYR HA H 61 4.265 4.243 0.022 1
1 741 . 3 1 1 A 63 63 TYR C C 61 178.617 177.786 0.831 1
1 742 . 3 1 1 A 63 63 TYR CA C 61 61.184 61.493 -0.309 1
1 743 . 3 1 1 A 63 63 TYR CB C 61 39.461 38.900 0.561 1
1 746 . 3 1 1 A 63 63 TYR N N 61 121.271 122.496 -1.225 1
1 747 . 3 1 1 A 64 64 LEU H H 62 8.252 8.889 -0.637 1
1 748 . 3 1 1 A 64 64 LEU HA H 62 3.977 3.911 0.066 1
1 758 . 3 1 1 A 64 64 LEU C C 62 179.553 179.535 0.018 1
1 759 . 3 1 1 A 64 64 LEU CA C 62 58.014 58.239 -0.225 1
1 760 . 3 1 1 A 64 64 LEU CB C 62 42.397 41.661 0.736 1
1 764 . 3 1 1 A 64 64 LEU N N 62 116.299 120.311 -4.012 1
1 765 . 3 1 1 A 65 65 GLU H H 63 8.453 8.295 0.158 1
1 766 . 3 1 1 A 65 65 GLU HA H 63 3.853 3.983 -0.130 1
1 771 . 3 1 1 A 65 65 GLU C C 63 179.279 178.630 0.649 1
1 772 . 3 1 1 A 65 65 GLU CA C 63 60.301 59.591 0.710 1
1 773 . 3 1 1 A 65 65 GLU CB C 63 29.870 29.400 0.470 1
1 775 . 3 1 1 A 65 65 GLU N N 63 118.616 117.330 1.286 1
1 776 . 3 1 1 A 66 66 LYS H H 64 7.571 8.427 -0.856 1
1 777 . 3 1 1 A 66 66 LYS HA H 64 4.225 4.194 0.031 1
1 786 . 3 1 1 A 66 66 LYS C C 64 178.457 179.116 -0.659 1
1 787 . 3 1 1 A 66 66 LYS CA C 64 58.496 57.839 0.657 1
1 788 . 3 1 1 A 66 66 LYS CB C 64 32.400 32.470 -0.070 1
1 792 . 3 1 1 A 66 66 LYS N N 64 117.166 118.654 -1.488 1
1 793 . 3 1 1 A 67 67 CYS H H 65 7.916 7.564 0.352 1
1 794 . 3 1 1 A 67 67 CYS HA H 65 4.561 4.042 0.519 1
1 797 . 3 1 1 A 67 67 CYS C C 65 174.893 176.944 -2.051 1
1 798 . 3 1 1 A 67 67 CYS CA C 65 56.329 62.041 -5.712 1
1 799 . 3 1 1 A 67 67 CYS CB C 65 45.235 27.341 17.894 1
1 800 . 3 1 1 A 67 67 CYS N N 65 115.312 118.590 -3.278 1
1 801 . 3 1 1 A 68 68 LEU H H 66 7.556 8.147 -0.591 1
1 802 . 3 1 1 A 68 68 LEU HA H 66 4.520 3.968 0.552 1
1 812 . 3 1 1 A 68 68 LEU C C 66 176.812 178.891 -2.079 1
1 813 . 3 1 1 A 68 68 LEU CA C 66 55.366 57.677 -2.311 1
1 814 . 3 1 1 A 68 68 LEU CB C 66 43.278 41.375 1.903 1
1 818 . 3 1 1 A 68 68 LEU N N 66 120.930 120.927 0.003 1
1 819 . 3 1 1 A 69 69 ASN H H 67 8.266 7.984 0.282 1
1 820 . 3 1 1 A 69 69 ASN HA H 67 4.681 4.795 -0.114 1
1 825 . 3 1 1 A 69 69 ASN CA C 67 53.761 54.881 -1.120 1
1 826 . 3 1 1 A 69 69 ASN CB C 67 39.069 39.403 -0.334 1
1 827 . 3 1 1 A 69 69 ASN N N 67 120.279 116.304 3.975 1
1 852 . 3 2 2 B 4 4 GLU H H 102 8.376 8.686 -0.310 1
1 853 . 3 2 2 B 4 4 GLU HA H 102 4.335 4.441 -0.106 1
1 858 . 3 2 2 B 4 4 GLU C C 102 177.132 176.031 1.101 1
1 859 . 3 2 2 B 4 4 GLU CA C 102 57.410 56.008 1.402 1
1 861 . 3 2 2 B 4 4 GLU N N 102 121.884 122.549 -0.665 1
1 862 . 3 2 2 B 5 5 GLY H H 103 8.380 8.657 -0.277 1
1 863 . 3 2 2 B 5 5 GLY HA2 H 103 4.003 4.188 -0.185 1
1 864 . 3 2 2 B 5 5 GLY HA3 H 103 4.003 4.188 -0.185 1
1 865 . 3 2 2 B 5 5 GLY C C 103 174.207 172.306 1.901 1
1 866 . 3 2 2 B 5 5 GLY CA C 103 45.750 44.519 1.231 1
1 867 . 3 2 2 B 5 5 GLY N N 103 110.055 107.804 2.251 1
1 868 . 3 2 2 B 6 6 ILE H H 104 7.851 8.378 -0.527 1
1 869 . 3 2 2 B 6 6 ILE HA H 104 4.305 4.922 -0.617 1
1 879 . 3 2 2 B 6 6 ILE C C 104 176.401 176.520 -0.119 1
1 880 . 3 2 2 B 6 6 ILE CA C 104 61.558 59.454 2.104 1
1 881 . 3 2 2 B 6 6 ILE CB C 104 39.436 40.141 -0.705 1
1 885 . 3 2 2 B 6 6 ILE N N 104 119.606 122.844 -3.238 1
1 886 . 3 2 2 B 7 7 SER H H 105 8.369 8.953 -0.584 1
1 887 . 3 2 2 B 7 7 SER HA H 105 4.564 4.174 0.390 1
1 890 . 3 2 2 B 7 7 SER C C 105 174.550 174.994 -0.444 1
1 891 . 3 2 2 B 7 7 SER CA C 105 58.667 62.316 -3.649 1
1 892 . 3 2 2 B 7 7 SER CB C 105 64.072 63.212 0.860 1
1 893 . 3 2 2 B 7 7 SER N N 105 119.853 123.923 -4.070 1
1 894 . 3 2 2 B 8 8 ILE H H 106 7.953 7.965 -0.012 1
1 895 . 3 2 2 B 8 8 ILE HA H 106 4.224 4.020 0.204 1
1 905 . 3 2 2 B 8 8 ILE C C 106 175.921 175.701 0.220 1
1 906 . 3 2 2 B 8 8 ILE CA C 106 61.935 61.974 -0.039 1
1 907 . 3 2 2 B 8 8 ILE CB C 106 39.436 36.812 2.624 1
1 911 . 3 2 2 B 8 8 ILE N N 106 121.730 118.005 3.725 1
1 912 . 3 2 2 B 9 9 TYR H H 107 8.171 8.569 -0.398 1
1 913 . 3 2 2 B 9 9 TYR HA H 107 4.736 4.718 0.018 1
1 920 . 3 2 2 B 9 9 TYR C C 107 176.058 174.703 1.355 1
1 921 . 3 2 2 B 9 9 TYR CA C 107 58.165 57.741 0.424 1
1 922 . 3 2 2 B 9 9 TYR CB C 107 39.436 38.504 0.932 1
1 925 . 3 2 2 B 9 9 TYR N N 107 123.598 127.743 -4.145 1
1 926 . 3 2 2 B 10 10 THR H H 108 7.986 8.114 -0.128 1
1 927 . 3 2 2 B 10 10 THR HA H 108 4.452 3.996 0.456 1
1 932 . 3 2 2 B 10 10 THR C C 108 174.459 173.408 1.051 1
1 933 . 3 2 2 B 10 10 THR CA C 108 62.061 63.092 -1.031 1
1 934 . 3 2 2 B 10 10 THR CB C 108 70.608 66.174 4.434 1
1 936 . 3 2 2 B 10 10 THR N N 108 115.642 110.411 5.231 1
1 937 . 3 2 2 B 11 11 SER H H 109 8.193 8.052 0.141 1
1 938 . 3 2 2 B 11 11 SER HA H 109 4.526 4.593 -0.067 1
1 941 . 3 2 2 B 11 11 SER C C 109 174.504 173.469 1.035 1
1 942 . 3 2 2 B 11 11 SER CA C 109 58.919 57.698 1.221 1
1 943 . 3 2 2 B 11 11 SER CB C 109 64.198 62.864 1.334 1
1 944 . 3 2 2 B 11 11 SER N N 109 117.597 115.631 1.966 1
1 945 . 3 2 2 B 12 12 ASP H H 110 8.351 8.515 -0.164 1
1 946 . 3 2 2 B 12 12 ASP HA H 110 4.650 4.851 -0.201 1
1 949 . 3 2 2 B 12 12 ASP C C 110 176.058 174.922 1.136 1
1 950 . 3 2 2 B 12 12 ASP CA C 110 55.022 52.816 2.206 1
1 951 . 3 2 2 B 12 12 ASP CB C 110 41.825 44.209 -2.384 1
1 952 . 3 2 2 B 12 12 ASP N N 110 122.020 125.675 -3.655 1
1 953 . 3 2 2 B 13 13 ASN H H 111 8.230 9.269 -1.039 1
1 954 . 3 2 2 B 13 13 ASN HA H 111 4.745 4.296 0.449 1
1 957 . 3 2 2 B 13 13 ASN C C 111 175.030 174.830 0.200 1
1 958 . 3 2 2 B 13 13 ASN CA C 111 53.765 55.839 -2.074 1
1 959 . 3 2 2 B 13 13 ASN CB C 111 39.562 36.907 2.655 1
1 960 . 3 2 2 B 13 13 ASN N N 111 118.317 118.996 -0.679 1
1 961 . 3 2 2 B 14 14 TYR H H 112 8.101 8.793 -0.692 1
1 962 . 3 2 2 B 14 14 TYR HA H 112 4.645 4.452 0.193 1
1 969 . 3 2 2 B 14 14 TYR C C 112 176.081 175.402 0.679 1
1 970 . 3 2 2 B 14 14 TYR CA C 112 58.793 59.581 -0.788 1
1 971 . 3 2 2 B 14 14 TYR CB C 112 39.436 38.338 1.098 1
1 974 . 3 2 2 B 14 14 TYR N N 112 121.125 118.869 2.256 1
1 975 . 3 2 2 B 15 15 THR H H 113 7.900 8.212 -0.312 1
1 976 . 3 2 2 B 15 15 THR HA H 113 4.332 3.852 0.480 1
1 981 . 3 2 2 B 15 15 THR C C 113 174.413 173.117 1.296 1
1 982 . 3 2 2 B 15 15 THR CA C 113 62.187 62.700 -0.513 1
1 983 . 3 2 2 B 15 15 THR CB C 113 70.341 66.662 3.679 1
1 985 . 3 2 2 B 15 15 THR N N 113 116.394 112.944 3.450 1
1 986 . 3 2 2 B 16 16 GLU H H 114 8.283 6.918 1.365 1
1 987 . 3 2 2 B 16 16 GLU HA H 114 4.275 4.308 -0.033 1
1 992 . 3 2 2 B 16 16 GLU C C 114 176.766 175.440 1.326 1
1 993 . 3 2 2 B 16 16 GLU CA C 114 57.410 54.468 2.942 1
1 994 . 3 2 2 B 16 16 GLU CB C 114 30.638 29.524 1.114 1
1 996 . 3 2 2 B 16 16 GLU N N 114 123.052 119.177 3.875 1
1 997 . 3 2 2 B 17 17 GLU H H 115 8.370 8.569 -0.199 1
1 998 . 3 2 2 B 17 17 GLU HA H 115 4.325 4.281 0.044 1
1 1003 . 3 2 2 B 17 17 GLU C C 115 176.880 175.617 1.263 1
1 1004 . 3 2 2 B 17 17 GLU CA C 115 57.410 56.666 0.744 1
1 1005 . 3 2 2 B 17 17 GLU CB C 115 30.512 29.927 0.585 1
1 1007 . 3 2 2 B 17 17 GLU N N 115 121.688 124.558 -2.870 1
1 1008 . 3 2 2 B 18 18 MET H H 116 8.314 8.711 -0.397 1
1 1009 . 3 2 2 B 18 18 MET HA H 116 4.509 4.898 -0.389 1
1 1014 . 3 2 2 B 18 18 MET C C 116 177.086 174.493 2.593 1
1 1015 . 3 2 2 B 18 18 MET CA C 116 56.279 54.281 1.998 1
1 1016 . 3 2 2 B 18 18 MET CB C 116 33.026 36.264 -3.238 1
1 1017 . 3 2 2 B 18 18 MET N N 116 121.270 121.188 0.082 1
1 1018 . 3 2 2 B 19 19 GLY H H 117 8.384 8.806 -0.422 1
1 1019 . 3 2 2 B 19 19 GLY HA2 H 117 4.061 4.291 -0.230 1
1 1020 . 3 2 2 B 19 19 GLY HA3 H 117 4.061 4.297 -0.236 1
1 1021 . 3 2 2 B 19 19 GLY C C 117 174.481 172.450 2.031 1
1 1022 . 3 2 2 B 19 19 GLY CA C 117 45.847 44.424 1.423 1
1 1023 . 3 2 2 B 19 19 GLY N N 117 110.055 111.884 -1.829 1
1 1024 . 3 2 2 B 20 20 SER H H 118 8.250 8.774 -0.524 1
1 1025 . 3 2 2 B 20 20 SER HA H 118 4.495 5.114 -0.619 1
1 1028 . 3 2 2 B 20 20 SER C C 118 175.327 173.861 1.466 1
1 1029 . 3 2 2 B 20 20 SER CA C 118 58.919 57.263 1.656 1
1 1030 . 3 2 2 B 20 20 SER CB C 118 64.575 66.312 -1.737 1
1 1031 . 3 2 2 B 20 20 SER N N 118 115.664 118.092 -2.428 1
1 1032 . 3 2 2 B 21 21 GLY H H 119 8.429 8.549 -0.120 1
1 1033 . 3 2 2 B 21 21 GLY HA2 H 119 4.000 4.125 -0.125 1
1 1034 . 3 2 2 B 21 21 GLY HA3 H 119 4.000 4.136 -0.136 1
1 1035 . 3 2 2 B 21 21 GLY C C 119 174.002 173.987 0.015 1
1 1036 . 3 2 2 B 21 21 GLY CA C 119 45.721 46.262 -0.541 1
1 1037 . 3 2 2 B 21 21 GLY N N 119 110.872 110.931 -0.059 1
1 1038 . 3 2 2 B 22 22 ASP H H 120 8.127 8.359 -0.232 1
1 1039 . 3 2 2 B 22 22 ASP HA H 120 4.634 4.925 -0.291 1
1 1042 . 3 2 2 B 22 22 ASP C C 120 176.355 177.424 -1.069 1
1 1043 . 3 2 2 B 22 22 ASP CA C 120 54.771 55.285 -0.514 1
1 1044 . 3 2 2 B 22 22 ASP CB C 120 41.699 43.898 -2.199 1
1 1045 . 3 2 2 B 22 22 ASP N N 120 120.530 120.001 0.529 1
1 1046 . 3 2 2 B 23 23 TYR H H 121 8.097 8.439 -0.342 1
1 1047 . 3 2 2 B 23 23 TYR HA H 121 4.555 4.378 0.177 1
1 1054 . 3 2 2 B 23 23 TYR C C 121 176.058 175.333 0.725 1
1 1055 . 3 2 2 B 23 23 TYR CA C 121 58.667 60.458 -1.791 1
1 1056 . 3 2 2 B 23 23 TYR CB C 121 39.311 39.046 0.265 1
1 1059 . 3 2 2 B 23 23 TYR N N 121 120.584 118.239 2.345 1
1 1060 . 3 2 2 B 24 24 ASP H H 122 8.224 7.853 0.371 1
1 1061 . 3 2 2 B 24 24 ASP HA H 122 4.621 5.017 -0.396 1
1 1064 . 3 2 2 B 24 24 ASP C C 122 176.835 173.711 3.124 1
1 1065 . 3 2 2 B 24 24 ASP CA C 122 55.022 53.205 1.817 1
1 1066 . 3 2 2 B 24 24 ASP CB C 122 41.825 43.665 -1.840 1
1 1067 . 3 2 2 B 24 24 ASP N N 122 121.815 115.995 5.820 1
1 1068 . 3 2 2 B 25 25 SER H H 123 8.137 8.709 -0.572 1
1 1069 . 3 2 2 B 25 25 SER HA H 123 4.394 5.305 -0.911 1
1 1072 . 3 2 2 B 25 25 SER C C 123 175.075 172.580 2.495 1
1 1073 . 3 2 2 B 25 25 SER CA C 123 59.547 56.823 2.724 1
1 1074 . 3 2 2 B 25 25 SER CB C 123 63.540 65.790 -2.250 1
1 1075 . 3 2 2 B 25 25 SER N N 123 116.405 115.721 0.684 1
1 1076 . 3 2 2 B 26 26 MET H H 124 8.221 8.608 -0.387 1
1 1077 . 3 2 2 B 26 26 MET HA H 124 4.500 5.002 -0.502 1
1 1082 . 3 2 2 B 26 26 MET C C 124 176.355 174.073 2.282 1
1 1083 . 3 2 2 B 26 26 MET CA C 124 56.279 54.843 1.436 1
1 1084 . 3 2 2 B 26 26 MET CB C 124 32.900 36.077 -3.177 1
1 1086 . 3 2 2 B 26 26 MET N N 124 121.210 124.825 -3.615 1
1 1087 . 3 2 2 B 27 27 LYS H H 125 7.991 8.692 -0.701 1
1 1088 . 3 2 2 B 27 27 LYS HA H 125 4.352 4.876 -0.524 1
1 1097 . 3 2 2 B 27 27 LYS C C 125 176.355 175.447 0.908 1
1 1098 . 3 2 2 B 27 27 LYS CA C 125 56.656 54.312 2.344 1
1 1099 . 3 2 2 B 27 27 LYS CB C 125 33.529 35.704 -2.175 1
1 1103 . 3 2 2 B 27 27 LYS N N 125 121.457 124.765 -3.308 1
1 1104 . 3 2 2 B 28 28 GLU H H 126 8.216 8.950 -0.734 1
1 1105 . 3 2 2 B 28 28 GLU N N 126 122.890 122.227 0.663 1
1 1106 . 3 2 2 B 29 29 PRO HA H 127 4.396 4.447 -0.051 1
1 1113 . 3 2 2 B 29 29 PRO C C 127 176.812 175.458 1.354 1
1 1114 . 3 2 2 B 29 29 PRO CA C 127 63.821 62.529 1.292 1
1 1115 . 3 2 2 B 29 29 PRO CB C 127 32.272 32.031 0.241 1
1 1118 . 3 2 2 B 30 30 ALA H H 128 8.282 8.222 0.060 1
1 1119 . 3 2 2 B 30 30 ALA HA H 128 4.316 4.608 -0.292 1
1 1123 . 3 2 2 B 30 30 ALA C C 128 177.589 175.777 1.812 1
1 1124 . 3 2 2 B 30 30 ALA CA C 128 53.192 50.603 2.589 1
1 1125 . 3 2 2 B 30 30 ALA CB C 128 19.703 20.190 -0.487 1
1 1126 . 3 2 2 B 30 30 ALA N N 128 123.577 122.983 0.594 1
1 1127 . 3 2 2 B 31 31 PHE H H 129 8.035 8.640 -0.605 1
1 1128 . 3 2 2 B 31 31 PHE HA H 129 4.637 4.619 0.018 1
1 1135 . 3 2 2 B 31 31 PHE C C 129 175.624 176.372 -0.748 1
1 1136 . 3 2 2 B 31 31 PHE CA C 129 58.039 58.073 -0.034 1
1 1137 . 3 2 2 B 31 31 PHE CB C 129 40.065 38.630 1.435 1
1 1140 . 3 2 2 B 31 31 PHE N N 129 118.994 123.595 -4.601 1
1 1141 . 3 2 2 B 32 32 ARG H H 130 8.066 8.859 -0.793 1
1 1142 . 3 2 2 B 32 32 ARG HA H 130 4.351 3.974 0.377 1
1 1149 . 3 2 2 B 32 32 ARG C C 130 175.875 175.001 0.874 1
1 1150 . 3 2 2 B 32 32 ARG CA C 130 56.154 56.942 -0.788 1
1 1151 . 3 2 2 B 32 32 ARG CB C 130 31.643 28.900 2.743 1
1 1154 . 3 2 2 B 32 32 ARG N N 130 123.094 123.296 -0.202 1
1 1155 . 3 2 2 B 33 33 GLU H H 131 8.389 8.003 0.386 1
1 1156 . 3 2 2 B 33 33 GLU HA H 131 4.295 4.738 -0.443 1
1 1161 . 3 2 2 B 33 33 GLU C C 131 176.766 174.806 1.960 1
1 1162 . 3 2 2 B 33 33 GLU CA C 131 57.285 55.307 1.978 1
1 1163 . 3 2 2 B 33 33 GLU CB C 131 30.512 33.966 -3.454 1
1 1165 . 3 2 2 B 33 33 GLU N N 131 122.719 125.296 -2.577 1
1 1166 . 3 2 2 B 34 34 GLU H H 132 8.526 8.633 -0.107 1
1 1167 . 3 2 2 B 34 34 GLU HA H 132 4.321 4.660 -0.339 1
1 1172 . 3 2 2 B 34 34 GLU C C 132 176.560 175.732 0.828 1
1 1173 . 3 2 2 B 34 34 GLU CA C 132 57.400 55.894 1.506 1
1 1174 . 3 2 2 B 34 34 GLU CB C 132 30.512 29.056 1.456 1
1 1176 . 3 2 2 B 34 34 GLU N N 132 122.122 123.480 -1.358 1
1 1177 . 3 2 2 B 35 35 ASN H H 133 8.379 8.440 -0.061 1
1 1178 . 3 2 2 B 35 35 ASN HA H 133 4.712 5.273 -0.561 1
1 1181 . 3 2 2 B 35 35 ASN C C 133 175.258 174.641 0.617 1
1 1182 . 3 2 2 B 35 35 ASN CA C 133 53.765 52.154 1.611 1
1 1183 . 3 2 2 B 35 35 ASN CB C 133 39.562 39.452 0.110 1
1 1184 . 3 2 2 B 35 35 ASN N N 133 119.552 121.345 -1.793 1
1 1185 . 3 2 2 B 36 36 ALA H H 134 8.175 8.572 -0.397 1
1 1186 . 3 2 2 B 36 36 ALA HA H 134 4.308 4.851 -0.543 1
1 1190 . 3 2 2 B 36 36 ALA C C 134 177.520 176.976 0.544 1
1 1191 . 3 2 2 B 36 36 ALA CA C 134 53.192 50.878 2.314 1
1 1192 . 3 2 2 B 36 36 ALA CB C 134 19.703 23.005 -3.302 1
1 1193 . 3 2 2 B 36 36 ALA N N 134 124.376 125.508 -1.132 1
1 1194 . 3 2 2 B 37 37 ASN H H 135 8.238 9.054 -0.816 1
1 1195 . 3 2 2 B 37 37 ASN HA H 135 4.713 4.379 0.334 1
1 1198 . 3 2 2 B 37 37 ASN C C 135 175.144 175.015 0.129 1
1 1199 . 3 2 2 B 37 37 ASN CA C 135 53.640 53.928 -0.288 1
1 1200 . 3 2 2 B 37 37 ASN CB C 135 39.311 36.976 2.335 1
1 1201 . 3 2 2 B 37 37 ASN N N 135 117.103 118.880 -1.777 1
1 1202 . 3 2 2 B 38 38 PHE H H 136 7.997 8.534 -0.537 1
1 1203 . 3 2 2 B 38 38 PHE HA H 136 4.678 4.970 -0.292 1
1 1210 . 3 2 2 B 38 38 PHE C C 136 175.601 173.931 1.670 1
1 1211 . 3 2 2 B 38 38 PHE CA C 136 58.165 56.292 1.873 1
1 1212 . 3 2 2 B 38 38 PHE CB C 136 39.939 40.396 -0.457 1
1 1215 . 3 2 2 B 38 38 PHE N N 136 120.229 126.515 -6.286 1
1 1216 . 3 2 2 B 39 39 ASN H H 137 8.272 8.570 -0.298 1
1 1217 . 3 2 2 B 39 39 ASN HA H 137 4.752 4.737 0.015 1
1 1220 . 3 2 2 B 39 39 ASN C C 137 174.047 175.557 -1.510 1
1 1221 . 3 2 2 B 39 39 ASN CA C 137 53.891 52.940 0.951 1
1 1222 . 3 2 2 B 39 39 ASN CB C 137 39.688 38.522 1.166 1
1 1223 . 3 2 2 B 39 39 ASN N N 137 120.594 126.864 -6.270 1
1 3 . 4 1 1 A 4 4 PRO HA H 2 4.509 4.847 -0.338 1
1 10 . 4 1 1 A 4 4 PRO C C 2 177.132 176.773 0.359 1
1 11 . 4 1 1 A 4 4 PRO CA C 2 63.529 62.487 1.042 1
1 12 . 4 1 1 A 4 4 PRO CB C 2 32.476 31.076 1.400 1
1 15 . 4 1 1 A 5 5 VAL H H 3 8.201 8.368 -0.167 1
1 16 . 4 1 1 A 5 5 VAL HA H 3 4.152 4.586 -0.434 1
1 24 . 4 1 1 A 5 5 VAL C C 3 176.423 175.023 1.400 1
1 25 . 4 1 1 A 5 5 VAL CA C 3 62.873 60.272 2.601 1
1 26 . 4 1 1 A 5 5 VAL CB C 3 33.455 33.038 0.417 1
1 28 . 4 1 1 A 5 5 VAL N N 3 120.488 118.127 2.361 1
1 29 . 4 1 1 A 6 6 SER H H 4 8.276 8.792 -0.516 1
1 30 . 4 1 1 A 6 6 SER HA H 4 4.494 5.108 -0.614 1
1 33 . 4 1 1 A 6 6 SER C C 4 174.687 173.605 1.082 1
1 34 . 4 1 1 A 6 6 SER CA C 4 58.375 57.783 0.592 1
1 35 . 4 1 1 A 6 6 SER CB C 4 64.295 64.652 -0.357 1
1 36 . 4 1 1 A 6 6 SER N N 4 119.000 120.733 -1.733 1
1 37 . 4 1 1 A 7 7 LEU H H 5 8.238 8.776 -0.538 1
1 38 . 4 1 1 A 7 7 LEU HA H 5 4.406 4.513 -0.107 1
1 44 . 4 1 1 A 7 7 LEU C C 5 177.406 176.400 1.006 1
1 45 . 4 1 1 A 7 7 LEU CA C 5 55.766 55.939 -0.173 1
1 46 . 4 1 1 A 7 7 LEU CB C 5 43.083 45.538 -2.455 1
1 48 . 4 1 1 A 7 7 LEU N N 5 124.704 128.455 -3.751 1
1 49 . 4 1 1 A 8 8 SER H H 6 8.148 8.101 0.047 1
1 50 . 4 1 1 A 8 8 SER HA H 6 4.438 4.525 -0.087 1
1 53 . 4 1 1 A 8 8 SER C C 6 174.321 173.702 0.619 1
1 54 . 4 1 1 A 8 8 SER CA C 6 58.718 56.544 2.174 1
1 55 . 4 1 1 A 8 8 SER CB C 6 64.295 63.722 0.573 1
1 56 . 4 1 1 A 8 8 SER N N 6 115.960 110.521 5.439 1
1 57 . 4 1 1 A 9 9 TYR H H 7 7.954 8.063 -0.109 1
1 58 . 4 1 1 A 9 9 TYR HA H 7 4.585 4.143 0.442 1
1 65 . 4 1 1 A 9 9 TYR C C 7 175.532 174.686 0.846 1
1 66 . 4 1 1 A 9 9 TYR CA C 7 58.335 58.973 -0.638 1
1 67 . 4 1 1 A 9 9 TYR CB C 7 39.474 35.410 4.064 1
1 70 . 4 1 1 A 9 9 TYR N N 7 121.884 117.783 4.101 1
1 71 . 4 1 1 A 10 10 ARG H H 8 8.117 7.561 0.556 1
1 72 . 4 1 1 A 10 10 ARG HA H 8 4.349 4.856 -0.507 1
1 79 . 4 1 1 A 10 10 ARG C C 8 175.898 175.240 0.658 1
1 80 . 4 1 1 A 10 10 ARG CA C 8 56.048 54.306 1.742 1
1 81 . 4 1 1 A 10 10 ARG CB C 8 31.492 32.659 -1.167 1
1 84 . 4 1 1 A 10 10 ARG N N 8 121.977 117.774 4.203 1
1 85 . 4 1 1 A 11 11 CYS H H 9 8.127 8.737 -0.610 1
1 86 . 4 1 1 A 11 11 CYS HA H 9 5.004 4.906 0.098 1
1 89 . 4 1 1 A 11 11 CYS C C 9 177.771 173.922 3.849 1
1 90 . 4 1 1 A 11 11 CYS CA C 9 53.192 54.966 -1.774 1
1 91 . 4 1 1 A 11 11 CYS CB C 9 40.897 43.041 -2.144 1
1 92 . 4 1 1 A 11 11 CYS N N 9 121.209 120.634 0.575 1
1 93 . 4 1 1 A 12 12 PRO HA H 10 4.340 4.272 0.068 1
1 100 . 4 1 1 A 12 12 PRO CA C 10 65.478 65.145 0.333 1
1 101 . 4 1 1 A 12 12 PRO CB C 10 32.904 31.282 1.622 1
1 104 . 4 1 1 A 13 13 CYS H H 11 8.662 8.365 0.297 1
1 105 . 4 1 1 A 13 13 CYS C C 11 174.618 173.713 0.905 1
1 106 . 4 1 1 A 13 13 CYS N N 11 114.595 115.842 -1.247 1
1 107 . 4 1 1 A 14 14 ARG H H 12 8.236 8.650 -0.414 1
1 108 . 4 1 1 A 14 14 ARG HA H 12 4.075 4.085 -0.010 1
1 115 . 4 1 1 A 14 14 ARG C C 12 175.098 175.327 -0.229 1
1 116 . 4 1 1 A 14 14 ARG CA C 12 57.370 57.970 -0.600 1
1 117 . 4 1 1 A 14 14 ARG CB C 12 31.631 31.066 0.565 1
1 120 . 4 1 1 A 14 14 ARG N N 12 122.779 128.047 -5.268 1
1 121 . 4 1 1 A 15 15 PHE H H 13 7.603 7.695 -0.092 1
1 122 . 4 1 1 A 15 15 PHE HA H 13 4.515 5.142 -0.627 1
1 129 . 4 1 1 A 15 15 PHE C C 13 174.162 175.017 -0.855 1
1 130 . 4 1 1 A 15 15 PHE CA C 13 56.289 56.427 -0.138 1
1 131 . 4 1 1 A 15 15 PHE CB C 13 41.320 43.381 -2.061 1
1 134 . 4 1 1 A 15 15 PHE N N 13 116.797 115.939 0.858 1
1 135 . 4 1 1 A 16 16 PHE H H 14 8.112 8.442 -0.330 1
1 136 . 4 1 1 A 16 16 PHE HA H 14 4.783 6.089 -1.306 1
1 143 . 4 1 1 A 16 16 PHE C C 14 175.441 173.930 1.511 1
1 144 . 4 1 1 A 16 16 PHE CA C 14 55.767 55.232 0.535 1
1 145 . 4 1 1 A 16 16 PHE CB C 14 41.320 42.524 -1.204 1
1 148 . 4 1 1 A 16 16 PHE N N 14 118.930 119.096 -0.166 1
1 149 . 4 1 1 A 17 17 GLU H H 15 8.820 9.868 -1.048 1
1 150 . 4 1 1 A 17 17 GLU HA H 15 4.616 4.628 -0.012 1
1 155 . 4 1 1 A 17 17 GLU C C 15 176.857 176.562 0.295 1
1 156 . 4 1 1 A 17 17 GLU CA C 15 56.289 56.204 0.085 1
1 157 . 4 1 1 A 17 17 GLU CB C 15 31.173 30.068 1.105 1
1 159 . 4 1 1 A 17 17 GLU N N 15 122.825 121.698 1.127 1
1 160 . 4 1 1 A 18 18 SER H H 16 8.746 8.869 -0.123 1
1 161 . 4 1 1 A 18 18 SER HA H 16 4.759 4.677 0.082 1
1 164 . 4 1 1 A 18 18 SER C C 16 177.497 174.651 2.846 1
1 165 . 4 1 1 A 18 18 SER CA C 16 59.328 59.694 -0.366 1
1 166 . 4 1 1 A 18 18 SER CB C 16 64.515 64.294 0.221 1
1 167 . 4 1 1 A 18 18 SER N N 16 118.860 120.738 -1.878 1
1 168 . 4 1 1 A 19 19 HIS H H 17 8.761 7.747 1.014 1
1 169 . 4 1 1 A 19 19 HIS HA H 17 4.859 5.108 -0.249 1
1 174 . 4 1 1 A 19 19 HIS C C 17 174.618 174.049 0.569 1
1 175 . 4 1 1 A 19 19 HIS CA C 17 56.449 54.341 2.108 1
1 176 . 4 1 1 A 19 19 HIS CB C 17 29.870 30.137 -0.267 1
1 179 . 4 1 1 A 19 19 HIS N N 17 120.535 117.670 2.865 1
1 180 . 4 1 1 A 20 20 VAL H H 18 7.211 9.202 -1.991 1
1 181 . 4 1 1 A 20 20 VAL HA H 18 4.160 4.614 -0.454 1
1 189 . 4 1 1 A 20 20 VAL C C 18 174.436 174.759 -0.323 1
1 190 . 4 1 1 A 20 20 VAL CA C 18 62.167 60.373 1.794 1
1 191 . 4 1 1 A 20 20 VAL CB C 18 34.426 35.874 -1.448 1
1 193 . 4 1 1 A 20 20 VAL N N 18 120.872 124.247 -3.375 1
1 194 . 4 1 1 A 21 21 ALA H H 19 8.535 8.676 -0.141 1
1 195 . 4 1 1 A 21 21 ALA HA H 19 4.402 4.318 0.084 1
1 199 . 4 1 1 A 21 21 ALA C C 19 177.657 177.698 -0.041 1
1 200 . 4 1 1 A 21 21 ALA CA C 19 51.193 51.709 -0.516 1
1 201 . 4 1 1 A 21 21 ALA CB C 19 19.790 19.215 0.575 1
1 202 . 4 1 1 A 21 21 ALA N N 19 131.339 128.070 3.269 1
1 203 . 4 1 1 A 22 22 ARG H H 20 7.815 8.202 -0.387 1
1 204 . 4 1 1 A 22 22 ARG HA H 20 2.495 3.133 -0.638 1
1 211 . 4 1 1 A 22 22 ARG C C 20 178.365 176.921 1.444 1
1 212 . 4 1 1 A 22 22 ARG CA C 20 59.379 57.781 1.598 1
1 213 . 4 1 1 A 22 22 ARG CB C 20 29.572 29.362 0.210 1
1 216 . 4 1 1 A 22 22 ARG N N 20 124.365 124.069 0.296 1
1 217 . 4 1 1 A 23 23 ALA H H 21 8.135 7.448 0.687 1
1 218 . 4 1 1 A 23 23 ALA HA H 21 4.070 4.095 -0.025 1
1 222 . 4 1 1 A 23 23 ALA C C 21 178.000 177.890 0.110 1
1 223 . 4 1 1 A 23 23 ALA CA C 21 54.100 53.178 0.922 1
1 224 . 4 1 1 A 23 23 ALA CB C 21 18.713 18.655 0.058 1
1 225 . 4 1 1 A 23 23 ALA N N 21 117.156 121.288 -4.132 1
1 226 . 4 1 1 A 24 24 ASN H H 22 7.712 7.828 -0.116 1
1 227 . 4 1 1 A 24 24 ASN HA H 22 5.008 4.750 0.258 1
1 232 . 4 1 1 A 24 24 ASN C C 22 174.938 174.876 0.062 1
1 233 . 4 1 1 A 24 24 ASN CA C 22 52.869 52.954 -0.085 1
1 234 . 4 1 1 A 24 24 ASN CB C 22 40.573 39.033 1.540 1
1 235 . 4 1 1 A 24 24 ASN N N 22 112.819 115.132 -2.313 1
1 237 . 4 1 1 A 25 25 VAL H H 23 7.508 7.360 0.148 1
1 238 . 4 1 1 A 25 25 VAL HA H 23 4.896 4.293 0.603 1
1 246 . 4 1 1 A 25 25 VAL C C 23 175.829 175.396 0.433 1
1 247 . 4 1 1 A 25 25 VAL CA C 23 59.870 60.713 -0.843 1
1 248 . 4 1 1 A 25 25 VAL CB C 23 35.396 33.340 2.056 1
1 251 . 4 1 1 A 25 25 VAL N N 23 119.721 119.590 0.131 1
1 252 . 4 1 1 A 26 26 LYS H H 24 9.483 9.320 0.163 1
1 253 . 4 1 1 A 26 26 LYS HA H 24 4.350 4.375 -0.025 1
1 262 . 4 1 1 A 26 26 LYS C C 24 176.606 176.365 0.241 1
1 263 . 4 1 1 A 26 26 LYS CA C 24 58.977 57.022 1.955 1
1 264 . 4 1 1 A 26 26 LYS CB C 24 34.567 33.241 1.326 1
1 268 . 4 1 1 A 26 26 LYS N N 24 128.029 125.587 2.442 1
1 269 . 4 1 1 A 27 27 HIS H H 25 7.223 7.717 -0.494 1
1 270 . 4 1 1 A 27 27 HIS HA H 25 4.979 4.857 0.122 1
1 275 . 4 1 1 A 27 27 HIS C C 25 178.434 172.595 5.839 1
1 276 . 4 1 1 A 27 27 HIS CA C 25 55.406 54.823 0.583 1
1 277 . 4 1 1 A 27 27 HIS CB C 25 32.904 31.026 1.878 1
1 280 . 4 1 1 A 27 27 HIS N N 25 109.556 113.640 -4.084 1
1 281 . 4 1 1 A 28 28 LEU H H 26 8.149 8.704 -0.555 1
1 282 . 4 1 1 A 28 28 LEU HA H 26 5.190 5.213 -0.023 1
1 292 . 4 1 1 A 28 28 LEU C C 26 175.510 175.231 0.279 1
1 293 . 4 1 1 A 28 28 LEU CA C 26 53.480 53.409 0.071 1
1 294 . 4 1 1 A 28 28 LEU CB C 26 45.235 45.094 0.141 1
1 298 . 4 1 1 A 28 28 LEU N N 26 117.106 119.902 -2.796 1
1 299 . 4 1 1 A 29 29 LYS H H 27 9.578 9.120 0.458 1
1 300 . 4 1 1 A 29 29 LYS HA H 27 5.385 4.911 0.474 1
1 309 . 4 1 1 A 29 29 LYS C C 27 174.801 174.954 -0.153 1
1 310 . 4 1 1 A 29 29 LYS CA C 27 55.165 54.677 0.488 1
1 311 . 4 1 1 A 29 29 LYS CB C 27 35.253 34.694 0.559 1
1 315 . 4 1 1 A 29 29 LYS N N 27 123.488 123.812 -0.324 1
1 316 . 4 1 1 A 30 30 ILE H H 28 9.133 9.062 0.071 1
1 317 . 4 1 1 A 30 30 ILE HA H 28 4.925 4.909 0.016 1
1 327 . 4 1 1 A 30 30 ILE C C 28 176.949 175.045 1.904 1
1 328 . 4 1 1 A 30 30 ILE CA C 28 60.542 59.666 0.876 1
1 329 . 4 1 1 A 30 30 ILE CB C 28 39.600 39.622 -0.022 1
1 333 . 4 1 1 A 30 30 ILE N N 28 123.846 127.822 -3.976 1
1 334 . 4 1 1 A 31 31 LEU H H 29 8.830 9.047 -0.217 1
1 335 . 4 1 1 A 31 31 LEU HA H 29 4.533 5.012 -0.479 1
1 344 . 4 1 1 A 31 31 LEU C C 29 176.012 174.675 1.337 1
1 345 . 4 1 1 A 31 31 LEU CA C 29 55.406 52.927 2.479 1
1 346 . 4 1 1 A 31 31 LEU CB C 29 43.180 42.573 0.607 1
1 349 . 4 1 1 A 31 31 LEU N N 29 128.649 126.519 2.130 1
1 350 . 4 1 1 A 32 32 ASN H H 30 8.211 8.967 -0.756 1
1 351 . 4 1 1 A 32 32 ASN HA H 30 5.014 4.983 0.031 1
1 356 . 4 1 1 A 32 32 ASN C C 30 174.664 174.763 -0.099 1
1 357 . 4 1 1 A 32 32 ASN CA C 30 52.517 52.243 0.274 1
1 358 . 4 1 1 A 32 32 ASN CB C 30 38.776 38.711 0.065 1
1 359 . 4 1 1 A 32 32 ASN N N 30 120.791 124.840 -4.049 1
1 361 . 4 1 1 A 33 33 THR H H 31 7.896 8.873 -0.977 1
1 362 . 4 1 1 A 33 33 THR HA H 31 4.842 4.782 0.060 1
1 367 . 4 1 1 A 33 33 THR CA C 31 58.369 60.314 -1.945 1
1 368 . 4 1 1 A 33 33 THR CB C 31 70.011 68.802 1.209 1
1 370 . 4 1 1 A 33 33 THR N N 31 115.811 116.864 -1.053 1
1 371 . 4 1 1 A 34 34 PRO HA H 32 4.317 4.479 -0.162 1
1 378 . 4 1 1 A 34 34 PRO CA C 32 65.164 64.635 0.529 1
1 379 . 4 1 1 A 34 34 PRO CB C 32 32.484 32.100 0.384 1
1 382 . 4 1 1 A 35 35 ASN H H 33 8.256 8.497 -0.241 1
1 383 . 4 1 1 A 35 35 ASN HA H 33 4.651 4.750 -0.099 1
1 388 . 4 1 1 A 35 35 ASN C C 33 174.710 174.514 0.196 1
1 389 . 4 1 1 A 35 35 ASN CA C 33 54.532 53.505 1.027 1
1 390 . 4 1 1 A 35 35 ASN CB C 33 39.167 38.704 0.463 1
1 391 . 4 1 1 A 35 35 ASN N N 33 120.081 113.819 6.262 1
1 393 . 4 1 1 A 36 36 CYS H H 34 7.548 7.600 -0.052 1
1 394 . 4 1 1 A 36 36 CYS HA H 34 4.693 4.865 -0.172 1
1 397 . 4 1 1 A 36 36 CYS C C 34 173.865 172.490 1.375 1
1 398 . 4 1 1 A 36 36 CYS CA C 34 55.447 55.158 0.289 1
1 399 . 4 1 1 A 36 36 CYS CB C 34 45.228 46.489 -1.261 1
1 400 . 4 1 1 A 36 36 CYS N N 34 117.076 115.665 1.411 1
1 401 . 4 1 1 A 37 37 ALA H H 35 8.469 8.424 0.045 1
1 402 . 4 1 1 A 37 37 ALA HA H 35 4.252 4.201 0.051 1
1 406 . 4 1 1 A 37 37 ALA C C 35 176.423 177.001 -0.578 1
1 407 . 4 1 1 A 37 37 ALA CA C 35 53.537 52.199 1.338 1
1 408 . 4 1 1 A 37 37 ALA CB C 35 19.202 19.762 -0.560 1
1 409 . 4 1 1 A 37 37 ALA N N 35 125.153 125.851 -0.698 1
1 410 . 4 1 1 A 38 38 CYS H H 36 8.315 8.315 0.000 1
1 411 . 4 1 1 A 38 38 CYS HA H 36 4.211 4.261 -0.050 1
1 414 . 4 1 1 A 38 38 CYS C C 36 173.705 174.357 -0.652 1
1 415 . 4 1 1 A 38 38 CYS CA C 36 58.616 59.851 -1.235 1
1 416 . 4 1 1 A 38 38 CYS CB C 36 45.705 27.801 17.904 1
1 417 . 4 1 1 A 38 38 CYS N N 36 118.837 118.298 0.539 1
1 418 . 4 1 1 A 39 39 GLN H H 37 8.926 8.769 0.157 1
1 419 . 4 1 1 A 39 39 GLN HA H 37 4.609 5.006 -0.397 1
1 426 . 4 1 1 A 39 39 GLN C C 37 173.636 174.941 -1.305 1
1 427 . 4 1 1 A 39 39 GLN CA C 37 54.603 54.388 0.215 1
1 428 . 4 1 1 A 39 39 GLN CB C 37 31.761 30.718 1.043 1
1 430 . 4 1 1 A 39 39 GLN N N 37 128.567 125.031 3.536 1
1 432 . 4 1 1 A 40 40 ILE H H 38 8.874 9.019 -0.145 1
1 433 . 4 1 1 A 40 40 ILE HA H 38 5.093 5.117 -0.024 1
1 443 . 4 1 1 A 40 40 ILE C C 38 174.390 174.639 -0.249 1
1 444 . 4 1 1 A 40 40 ILE CA C 38 60.582 60.010 0.572 1
1 445 . 4 1 1 A 40 40 ILE CB C 38 40.048 40.415 -0.367 1
1 449 . 4 1 1 A 40 40 ILE N N 38 123.962 124.650 -0.688 1
1 450 . 4 1 1 A 41 41 VAL H H 39 9.120 9.340 -0.220 1
1 451 . 4 1 1 A 41 41 VAL HA H 39 4.905 4.775 0.130 1
1 459 . 4 1 1 A 41 41 VAL C C 39 175.487 175.136 0.351 1
1 460 . 4 1 1 A 41 41 VAL CA C 39 59.980 61.285 -1.305 1
1 461 . 4 1 1 A 41 41 VAL CB C 39 35.868 33.410 2.458 1
1 464 . 4 1 1 A 41 41 VAL N N 39 126.354 129.187 -2.833 1
1 465 . 4 1 1 A 42 42 ALA H H 40 9.513 9.453 0.060 1
1 466 . 4 1 1 A 42 42 ALA HA H 40 5.154 5.312 -0.158 1
1 470 . 4 1 1 A 42 42 ALA C C 40 175.944 175.689 0.255 1
1 471 . 4 1 1 A 42 42 ALA CA C 40 50.591 50.435 0.156 1
1 472 . 4 1 1 A 42 42 ALA CB C 40 22.432 23.016 -0.584 1
1 473 . 4 1 1 A 42 42 ALA N N 40 128.406 129.294 -0.888 1
1 474 . 4 1 1 A 43 43 ARG H H 41 7.706 8.960 -1.254 1
1 475 . 4 1 1 A 43 43 ARG HA H 41 4.978 5.060 -0.082 1
1 482 . 4 1 1 A 43 43 ARG C C 41 175.510 175.946 -0.436 1
1 483 . 4 1 1 A 43 43 ARG CA C 41 54.162 54.838 -0.676 1
1 484 . 4 1 1 A 43 43 ARG CB C 41 31.200 33.330 -2.130 1
1 487 . 4 1 1 A 43 43 ARG N N 41 121.663 122.716 -1.053 1
1 488 . 4 1 1 A 44 44 LEU H H 42 9.164 8.891 0.273 1
1 489 . 4 1 1 A 44 44 LEU HA H 42 5.023 4.870 0.153 1
1 499 . 4 1 1 A 44 44 LEU C C 42 177.840 176.979 0.861 1
1 500 . 4 1 1 A 44 44 LEU CA C 42 54.724 54.372 0.352 1
1 501 . 4 1 1 A 44 44 LEU CB C 42 41.712 42.010 -0.298 1
1 505 . 4 1 1 A 44 44 LEU N N 42 129.087 125.394 3.693 1
1 506 . 4 1 1 A 45 45 LYS H H 43 8.414 9.420 -1.006 1
1 507 . 4 1 1 A 45 45 LYS HA H 43 3.954 4.294 -0.340 1
1 516 . 4 1 1 A 45 45 LYS CA C 43 59.016 58.338 0.678 1
1 517 . 4 1 1 A 45 45 LYS CB C 43 34.102 32.721 1.381 1
1 520 . 4 1 1 A 45 45 LYS N N 43 119.674 121.954 -2.280 1
1 521 . 4 1 1 A 48 48 ASN HA H 46 4.723 4.900 -0.177 1
1 526 . 4 1 1 A 48 48 ASN C C 46 175.098 174.060 1.038 1
1 527 . 4 1 1 A 48 48 ASN CA C 46 54.764 52.799 1.965 1
1 528 . 4 1 1 A 48 48 ASN CB C 46 39.265 38.830 0.435 1
1 530 . 4 1 1 A 49 49 ARG H H 47 7.914 8.780 -0.866 1
1 531 . 4 1 1 A 49 49 ARG HA H 47 4.352 4.990 -0.638 1
1 538 . 4 1 1 A 49 49 ARG C C 47 175.601 174.119 1.482 1
1 539 . 4 1 1 A 49 49 ARG CA C 47 57.051 54.120 2.931 1
1 540 . 4 1 1 A 49 49 ARG CB C 47 32.121 34.032 -1.911 1
1 543 . 4 1 1 A 49 49 ARG N N 47 119.826 126.095 -6.269 1
1 544 . 4 1 1 A 50 50 GLN H H 48 8.542 8.895 -0.353 1
1 545 . 4 1 1 A 50 50 GLN HA H 48 5.495 5.245 0.250 1
1 552 . 4 1 1 A 50 50 GLN C C 48 175.578 175.147 0.431 1
1 553 . 4 1 1 A 50 50 GLN CA C 48 55.125 54.449 0.676 1
1 554 . 4 1 1 A 50 50 GLN CB C 48 32.121 31.695 0.426 1
1 556 . 4 1 1 A 50 50 GLN N N 48 120.767 122.785 -2.018 1
1 558 . 4 1 1 A 51 51 VAL H H 49 8.649 9.303 -0.654 1
1 559 . 4 1 1 A 51 51 VAL HA H 49 4.833 4.894 -0.061 1
1 567 . 4 1 1 A 51 51 VAL C C 49 175.258 173.572 1.686 1
1 568 . 4 1 1 A 51 51 VAL CA C 49 59.338 59.152 0.186 1
1 569 . 4 1 1 A 51 51 VAL CB C 49 36.155 35.663 0.492 1
1 572 . 4 1 1 A 51 51 VAL N N 49 116.678 119.117 -2.439 1
1 573 . 4 1 1 A 52 52 CYS H H 50 9.099 9.013 0.086 1
1 574 . 4 1 1 A 52 52 CYS HA H 50 5.308 5.517 -0.209 1
1 577 . 4 1 1 A 52 52 CYS C C 50 174.527 172.704 1.823 1
1 578 . 4 1 1 A 52 52 CYS CA C 50 58.054 54.252 3.802 1
1 579 . 4 1 1 A 52 52 CYS CB C 50 43.375 45.478 -2.103 1
1 580 . 4 1 1 A 52 52 CYS N N 50 124.549 121.179 3.370 1
1 581 . 4 1 1 A 53 53 ILE H H 51 8.479 9.757 -1.278 1
1 582 . 4 1 1 A 53 53 ILE HA H 51 4.974 4.734 0.240 1
1 592 . 4 1 1 A 53 53 ILE C C 51 173.019 174.964 -1.945 1
1 593 . 4 1 1 A 53 53 ILE CA C 51 58.897 60.065 -1.168 1
1 594 . 4 1 1 A 53 53 ILE CB C 51 42.201 40.678 1.523 1
1 598 . 4 1 1 A 53 53 ILE N N 51 122.581 127.252 -4.671 1
1 599 . 4 1 1 A 54 54 ASP H H 52 7.642 8.121 -0.479 1
1 600 . 4 1 1 A 54 54 ASP HA H 52 3.619 4.404 -0.785 1
1 603 . 4 1 1 A 54 54 ASP CA C 52 51.574 51.617 -0.043 1
1 604 . 4 1 1 A 54 54 ASP CB C 52 42.515 41.870 0.645 1
1 605 . 4 1 1 A 54 54 ASP N N 52 125.772 126.083 -0.311 1
1 606 . 4 1 1 A 55 55 PRO HA H 53 4.023 4.395 -0.372 1
1 613 . 4 1 1 A 55 55 PRO C C 53 176.126 176.626 -0.500 1
1 614 . 4 1 1 A 55 55 PRO CA C 53 63.993 64.010 -0.017 1
1 615 . 4 1 1 A 55 55 PRO CB C 53 33.002 31.682 1.320 1
1 618 . 4 1 1 A 56 56 LYS H H 54 7.930 7.770 0.160 1
1 619 . 4 1 1 A 56 56 LYS HA H 54 4.000 4.359 -0.359 1
1 628 . 4 1 1 A 56 56 LYS C C 54 177.931 176.529 1.402 1
1 629 . 4 1 1 A 56 56 LYS CA C 54 56.770 56.328 0.442 1
1 630 . 4 1 1 A 56 56 LYS CB C 54 32.023 33.238 -1.215 1
1 634 . 4 1 1 A 56 56 LYS N N 54 112.924 116.271 -3.347 1
1 635 . 4 1 1 A 57 57 LEU H H 55 7.161 6.975 0.186 1
1 636 . 4 1 1 A 57 57 LEU HA H 55 4.065 4.173 -0.108 1
1 646 . 4 1 1 A 57 57 LEU C C 55 179.416 177.663 1.753 1
1 647 . 4 1 1 A 57 57 LEU CA C 55 56.088 55.252 0.836 1
1 648 . 4 1 1 A 57 57 LEU CB C 55 42.397 41.563 0.834 1
1 652 . 4 1 1 A 57 57 LEU N N 55 120.593 121.630 -1.037 1
1 653 . 4 1 1 A 58 58 LYS H H 56 8.716 8.963 -0.247 1
1 654 . 4 1 1 A 58 58 LYS HA H 56 3.937 3.927 0.010 1
1 663 . 4 1 1 A 58 58 LYS C C 56 178.937 178.335 0.602 1
1 664 . 4 1 1 A 58 58 LYS CA C 56 60.301 59.678 0.623 1
1 665 . 4 1 1 A 58 58 LYS CB C 56 32.121 32.047 0.074 1
1 669 . 4 1 1 A 58 58 LYS N N 56 125.479 124.754 0.725 1
1 670 . 4 1 1 A 59 59 TRP H H 57 7.827 8.268 -0.441 1
1 671 . 4 1 1 A 59 59 TRP HA H 57 4.664 4.534 0.130 1
1 680 . 4 1 1 A 59 59 TRP C C 57 178.868 179.357 -0.489 1
1 681 . 4 1 1 A 59 59 TRP CA C 57 58.897 59.883 -0.986 1
1 682 . 4 1 1 A 59 59 TRP CB C 57 28.036 28.085 -0.049 1
1 688 . 4 1 1 A 59 59 TRP N N 57 113.433 119.082 -5.649 1
1 690 . 4 1 1 A 60 60 ILE H H 58 6.458 7.499 -1.041 1
1 691 . 4 1 1 A 60 60 ILE HA H 58 3.325 3.497 -0.172 1
1 701 . 4 1 1 A 60 60 ILE C C 58 177.726 177.740 -0.014 1
1 702 . 4 1 1 A 60 60 ILE CA C 58 64.314 64.622 -0.308 1
1 703 . 4 1 1 A 60 60 ILE CB C 58 35.897 36.438 -0.541 1
1 707 . 4 1 1 A 60 60 ILE N N 58 124.379 122.554 1.825 1
1 708 . 4 1 1 A 61 61 GLN H H 59 7.622 8.529 -0.907 1
1 709 . 4 1 1 A 61 61 GLN HA H 59 3.763 3.889 -0.126 1
1 716 . 4 1 1 A 61 61 GLN C C 59 178.434 179.165 -0.731 1
1 717 . 4 1 1 A 61 61 GLN CA C 59 59.379 59.279 0.100 1
1 718 . 4 1 1 A 61 61 GLN CB C 59 28.602 28.346 0.256 1
1 720 . 4 1 1 A 61 61 GLN N N 59 119.070 119.341 -0.271 1
1 722 . 4 1 1 A 62 62 GLU H H 60 8.064 8.007 0.057 1
1 723 . 4 1 1 A 62 62 GLU HA H 60 4.093 4.096 -0.003 1
1 728 . 4 1 1 A 62 62 GLU C C 60 179.051 178.774 0.277 1
1 729 . 4 1 1 A 62 62 GLU CA C 60 59.659 59.296 0.363 1
1 730 . 4 1 1 A 62 62 GLU CB C 60 30.457 29.641 0.816 1
1 732 . 4 1 1 A 62 62 GLU N N 60 117.166 120.333 -3.167 1
1 733 . 4 1 1 A 63 63 TYR H H 61 7.913 7.734 0.179 1
1 734 . 4 1 1 A 63 63 TYR HA H 61 4.265 4.295 -0.030 1
1 741 . 4 1 1 A 63 63 TYR C C 61 178.617 177.593 1.024 1
1 742 . 4 1 1 A 63 63 TYR CA C 61 61.184 61.563 -0.379 1
1 743 . 4 1 1 A 63 63 TYR CB C 61 39.461 38.556 0.905 1
1 746 . 4 1 1 A 63 63 TYR N N 61 121.271 122.501 -1.230 1
1 747 . 4 1 1 A 64 64 LEU H H 62 8.252 8.942 -0.690 1
1 748 . 4 1 1 A 64 64 LEU HA H 62 3.977 3.902 0.075 1
1 758 . 4 1 1 A 64 64 LEU C C 62 179.553 179.114 0.439 1
1 759 . 4 1 1 A 64 64 LEU CA C 62 58.014 58.228 -0.214 1
1 760 . 4 1 1 A 64 64 LEU CB C 62 42.397 41.545 0.852 1
1 764 . 4 1 1 A 64 64 LEU N N 62 116.299 120.091 -3.792 1
1 765 . 4 1 1 A 65 65 GLU H H 63 8.453 8.339 0.114 1
1 766 . 4 1 1 A 65 65 GLU HA H 63 3.853 3.896 -0.043 1
1 771 . 4 1 1 A 65 65 GLU C C 63 179.279 179.715 -0.436 1
1 772 . 4 1 1 A 65 65 GLU CA C 63 60.301 60.018 0.283 1
1 773 . 4 1 1 A 65 65 GLU CB C 63 29.870 29.540 0.330 1
1 775 . 4 1 1 A 65 65 GLU N N 63 118.616 117.606 1.010 1
1 776 . 4 1 1 A 66 66 LYS H H 64 7.571 8.392 -0.821 1
1 777 . 4 1 1 A 66 66 LYS HA H 64 4.225 4.032 0.193 1
1 786 . 4 1 1 A 66 66 LYS C C 64 178.457 178.817 -0.360 1
1 787 . 4 1 1 A 66 66 LYS CA C 64 58.496 58.752 -0.256 1
1 788 . 4 1 1 A 66 66 LYS CB C 64 32.400 31.981 0.419 1
1 792 . 4 1 1 A 66 66 LYS N N 64 117.166 119.020 -1.854 1
1 793 . 4 1 1 A 67 67 CYS H H 65 7.916 7.457 0.459 1
1 794 . 4 1 1 A 67 67 CYS HA H 65 4.561 4.098 0.463 1
1 797 . 4 1 1 A 67 67 CYS C C 65 174.893 176.598 -1.705 1
1 798 . 4 1 1 A 67 67 CYS CA C 65 56.329 61.886 -5.557 1
1 799 . 4 1 1 A 67 67 CYS CB C 65 45.235 27.067 18.168 1
1 800 . 4 1 1 A 67 67 CYS N N 65 115.312 118.939 -3.627 1
1 801 . 4 1 1 A 68 68 LEU H H 66 7.556 7.698 -0.142 1
1 802 . 4 1 1 A 68 68 LEU HA H 66 4.520 4.001 0.519 1
1 812 . 4 1 1 A 68 68 LEU C C 66 176.812 178.881 -2.069 1
1 813 . 4 1 1 A 68 68 LEU CA C 66 55.366 57.846 -2.480 1
1 814 . 4 1 1 A 68 68 LEU CB C 66 43.278 41.231 2.047 1
1 818 . 4 1 1 A 68 68 LEU N N 66 120.930 119.295 1.635 1
1 819 . 4 1 1 A 69 69 ASN H H 67 8.266 8.189 0.077 1
1 820 . 4 1 1 A 69 69 ASN HA H 67 4.681 4.536 0.145 1
1 825 . 4 1 1 A 69 69 ASN CA C 67 53.761 55.443 -1.682 1
1 826 . 4 1 1 A 69 69 ASN CB C 67 39.069 38.837 0.232 1
1 827 . 4 1 1 A 69 69 ASN N N 67 120.279 117.361 2.918 1
1 852 . 4 2 2 B 4 4 GLU H H 102 8.376 9.045 -0.669 1
1 853 . 4 2 2 B 4 4 GLU HA H 102 4.335 5.077 -0.742 1
1 858 . 4 2 2 B 4 4 GLU C C 102 177.132 176.019 1.113 1
1 859 . 4 2 2 B 4 4 GLU CA C 102 57.410 54.822 2.588 1
1 861 . 4 2 2 B 4 4 GLU N N 102 121.884 124.272 -2.388 1
1 862 . 4 2 2 B 5 5 GLY H H 103 8.380 8.868 -0.488 1
1 863 . 4 2 2 B 5 5 GLY HA2 H 103 4.003 4.158 -0.155 1
1 864 . 4 2 2 B 5 5 GLY HA3 H 103 4.003 4.162 -0.159 1
1 865 . 4 2 2 B 5 5 GLY C C 103 174.207 173.909 0.298 1
1 866 . 4 2 2 B 5 5 GLY CA C 103 45.750 44.413 1.337 1
1 867 . 4 2 2 B 5 5 GLY N N 103 110.055 109.239 0.816 1
1 868 . 4 2 2 B 6 6 ILE H H 104 7.851 8.960 -1.109 1
1 869 . 4 2 2 B 6 6 ILE HA H 104 4.305 4.263 0.042 1
1 879 . 4 2 2 B 6 6 ILE C C 104 176.401 175.871 0.530 1
1 880 . 4 2 2 B 6 6 ILE CA C 104 61.558 62.548 -0.990 1
1 881 . 4 2 2 B 6 6 ILE CB C 104 39.436 39.028 0.408 1
1 885 . 4 2 2 B 6 6 ILE N N 104 119.606 120.984 -1.378 1
1 886 . 4 2 2 B 7 7 SER H H 105 8.369 7.421 0.948 1
1 887 . 4 2 2 B 7 7 SER HA H 105 4.564 4.589 -0.025 1
1 890 . 4 2 2 B 7 7 SER C C 105 174.550 171.643 2.907 1
1 891 . 4 2 2 B 7 7 SER CA C 105 58.667 57.081 1.586 1
1 892 . 4 2 2 B 7 7 SER CB C 105 64.072 65.289 -1.217 1
1 893 . 4 2 2 B 7 7 SER N N 105 119.853 111.534 8.319 1
1 894 . 4 2 2 B 8 8 ILE H H 106 7.953 8.546 -0.593 1
1 895 . 4 2 2 B 8 8 ILE HA H 106 4.224 4.781 -0.557 1
1 905 . 4 2 2 B 8 8 ILE C C 106 175.921 175.653 0.268 1
1 906 . 4 2 2 B 8 8 ILE CA C 106 61.935 58.741 3.194 1
1 907 . 4 2 2 B 8 8 ILE CB C 106 39.436 41.478 -2.042 1
1 911 . 4 2 2 B 8 8 ILE N N 106 121.730 121.908 -0.178 1
1 912 . 4 2 2 B 9 9 TYR H H 107 8.171 8.587 -0.416 1
1 913 . 4 2 2 B 9 9 TYR HA H 107 4.736 4.350 0.386 1
1 920 . 4 2 2 B 9 9 TYR C C 107 176.058 176.642 -0.584 1
1 921 . 4 2 2 B 9 9 TYR CA C 107 58.165 60.234 -2.069 1
1 922 . 4 2 2 B 9 9 TYR CB C 107 39.436 38.511 0.925 1
1 925 . 4 2 2 B 9 9 TYR N N 107 123.598 125.635 -2.037 1
1 926 . 4 2 2 B 10 10 THR H H 108 7.986 8.369 -0.383 1
1 927 . 4 2 2 B 10 10 THR HA H 108 4.452 4.656 -0.204 1
1 932 . 4 2 2 B 10 10 THR C C 108 174.459 174.233 0.226 1
1 933 . 4 2 2 B 10 10 THR CA C 108 62.061 61.696 0.365 1
1 934 . 4 2 2 B 10 10 THR CB C 108 70.608 69.736 0.872 1
1 936 . 4 2 2 B 10 10 THR N N 108 115.642 112.840 2.802 1
1 937 . 4 2 2 B 11 11 SER H H 109 8.193 9.030 -0.837 1
1 938 . 4 2 2 B 11 11 SER HA H 109 4.526 4.554 -0.028 1
1 941 . 4 2 2 B 11 11 SER C C 109 174.504 175.035 -0.531 1
1 942 . 4 2 2 B 11 11 SER CA C 109 58.919 59.382 -0.463 1
1 943 . 4 2 2 B 11 11 SER CB C 109 64.198 63.297 0.901 1
1 944 . 4 2 2 B 11 11 SER N N 109 117.597 122.067 -4.470 1
1 945 . 4 2 2 B 12 12 ASP H H 110 8.351 8.201 0.150 1
1 946 . 4 2 2 B 12 12 ASP HA H 110 4.650 4.576 0.074 1
1 949 . 4 2 2 B 12 12 ASP C C 110 176.058 175.843 0.215 1
1 950 . 4 2 2 B 12 12 ASP CA C 110 55.022 56.458 -1.436 1
1 951 . 4 2 2 B 12 12 ASP CB C 110 41.825 40.778 1.047 1
1 952 . 4 2 2 B 12 12 ASP N N 110 122.020 120.198 1.822 1
1 953 . 4 2 2 B 13 13 ASN H H 111 8.230 7.936 0.294 1
1 954 . 4 2 2 B 13 13 ASN HA H 111 4.745 4.795 -0.050 1
1 957 . 4 2 2 B 13 13 ASN C C 111 175.030 174.823 0.207 1
1 958 . 4 2 2 B 13 13 ASN CA C 111 53.765 51.662 2.103 1
1 959 . 4 2 2 B 13 13 ASN CB C 111 39.562 40.921 -1.359 1
1 960 . 4 2 2 B 13 13 ASN N N 111 118.317 116.784 1.533 1
1 961 . 4 2 2 B 14 14 TYR H H 112 8.101 8.246 -0.145 1
1 962 . 4 2 2 B 14 14 TYR HA H 112 4.645 4.101 0.544 1
1 969 . 4 2 2 B 14 14 TYR C C 112 176.081 175.132 0.949 1
1 970 . 4 2 2 B 14 14 TYR CA C 112 58.793 60.805 -2.012 1
1 971 . 4 2 2 B 14 14 TYR CB C 112 39.436 36.326 3.110 1
1 974 . 4 2 2 B 14 14 TYR N N 112 121.125 116.502 4.623 1
1 975 . 4 2 2 B 15 15 THR H H 113 7.900 7.779 0.121 1
1 976 . 4 2 2 B 15 15 THR HA H 113 4.332 4.543 -0.211 1
1 981 . 4 2 2 B 15 15 THR C C 113 174.413 174.053 0.360 1
1 982 . 4 2 2 B 15 15 THR CA C 113 62.187 61.864 0.323 1
1 983 . 4 2 2 B 15 15 THR CB C 113 70.341 66.772 3.569 1
1 985 . 4 2 2 B 15 15 THR N N 113 116.394 115.848 0.546 1
1 986 . 4 2 2 B 16 16 GLU H H 114 8.283 8.793 -0.510 1
1 987 . 4 2 2 B 16 16 GLU HA H 114 4.275 4.456 -0.181 1
1 992 . 4 2 2 B 16 16 GLU C C 114 176.766 176.475 0.291 1
1 993 . 4 2 2 B 16 16 GLU CA C 114 57.410 57.733 -0.323 1
1 994 . 4 2 2 B 16 16 GLU CB C 114 30.638 30.422 0.216 1
1 996 . 4 2 2 B 16 16 GLU N N 114 123.052 126.921 -3.869 1
1 997 . 4 2 2 B 17 17 GLU H H 115 8.370 7.644 0.726 1
1 998 . 4 2 2 B 17 17 GLU HA H 115 4.325 4.652 -0.327 1
1 1003 . 4 2 2 B 17 17 GLU C C 115 176.880 174.424 2.456 1
1 1004 . 4 2 2 B 17 17 GLU CA C 115 57.410 55.892 1.518 1
1 1005 . 4 2 2 B 17 17 GLU CB C 115 30.512 33.111 -2.599 1
1 1007 . 4 2 2 B 17 17 GLU N N 115 121.688 115.247 6.441 1
1 1008 . 4 2 2 B 18 18 MET H H 116 8.314 8.609 -0.295 1
1 1009 . 4 2 2 B 18 18 MET HA H 116 4.509 4.578 -0.069 1
1 1014 . 4 2 2 B 18 18 MET C C 116 177.086 176.227 0.859 1
1 1015 . 4 2 2 B 18 18 MET CA C 116 56.279 55.282 0.997 1
1 1016 . 4 2 2 B 18 18 MET CB C 116 33.026 32.605 0.421 1
1 1017 . 4 2 2 B 18 18 MET N N 116 121.270 122.032 -0.762 1
1 1018 . 4 2 2 B 19 19 GLY H H 117 8.384 8.763 -0.379 1
1 1019 . 4 2 2 B 19 19 GLY HA2 H 117 4.061 4.308 -0.247 1
1 1020 . 4 2 2 B 19 19 GLY HA3 H 117 4.061 4.310 -0.249 1
1 1021 . 4 2 2 B 19 19 GLY C C 117 174.481 172.036 2.445 1
1 1022 . 4 2 2 B 19 19 GLY CA C 117 45.847 44.898 0.949 1
1 1023 . 4 2 2 B 19 19 GLY N N 117 110.055 110.610 -0.555 1
1 1024 . 4 2 2 B 20 20 SER H H 118 8.250 8.897 -0.647 1
1 1025 . 4 2 2 B 20 20 SER HA H 118 4.495 5.071 -0.576 1
1 1028 . 4 2 2 B 20 20 SER C C 118 175.327 173.437 1.890 1
1 1029 . 4 2 2 B 20 20 SER CA C 118 58.919 56.995 1.924 1
1 1030 . 4 2 2 B 20 20 SER CB C 118 64.575 66.844 -2.269 1
1 1031 . 4 2 2 B 20 20 SER N N 118 115.664 117.400 -1.736 1
1 1032 . 4 2 2 B 21 21 GLY H H 119 8.429 8.422 0.007 1
1 1033 . 4 2 2 B 21 21 GLY HA2 H 119 4.000 4.301 -0.301 1
1 1034 . 4 2 2 B 21 21 GLY HA3 H 119 4.000 4.302 -0.302 1
1 1035 . 4 2 2 B 21 21 GLY C C 119 174.002 171.516 2.486 1
1 1036 . 4 2 2 B 21 21 GLY CA C 119 45.721 45.635 0.086 1
1 1037 . 4 2 2 B 21 21 GLY N N 119 110.872 107.152 3.720 1
1 1038 . 4 2 2 B 22 22 ASP H H 120 8.127 8.559 -0.432 1
1 1039 . 4 2 2 B 22 22 ASP HA H 120 4.634 4.932 -0.298 1
1 1042 . 4 2 2 B 22 22 ASP C C 120 176.355 175.221 1.134 1
1 1043 . 4 2 2 B 22 22 ASP CA C 120 54.771 51.844 2.927 1
1 1044 . 4 2 2 B 22 22 ASP CB C 120 41.699 43.524 -1.825 1
1 1045 . 4 2 2 B 22 22 ASP N N 120 120.530 119.704 0.826 1
1 1046 . 4 2 2 B 23 23 TYR H H 121 8.097 8.957 -0.860 1
1 1047 . 4 2 2 B 23 23 TYR HA H 121 4.555 4.682 -0.127 1
1 1054 . 4 2 2 B 23 23 TYR C C 121 176.058 175.233 0.825 1
1 1055 . 4 2 2 B 23 23 TYR CA C 121 58.667 59.196 -0.529 1
1 1056 . 4 2 2 B 23 23 TYR CB C 121 39.311 41.014 -1.703 1
1 1059 . 4 2 2 B 23 23 TYR N N 121 120.584 121.686 -1.102 1
1 1060 . 4 2 2 B 24 24 ASP H H 122 8.224 8.372 -0.148 1
1 1061 . 4 2 2 B 24 24 ASP HA H 122 4.621 5.039 -0.418 1
1 1064 . 4 2 2 B 24 24 ASP C C 122 176.835 175.147 1.688 1
1 1065 . 4 2 2 B 24 24 ASP CA C 122 55.022 55.860 -0.838 1
1 1066 . 4 2 2 B 24 24 ASP CB C 122 41.825 42.893 -1.068 1
1 1067 . 4 2 2 B 24 24 ASP N N 122 121.815 118.544 3.271 1
1 1068 . 4 2 2 B 25 25 SER H H 123 8.137 7.758 0.379 1
1 1069 . 4 2 2 B 25 25 SER HA H 123 4.394 4.683 -0.289 1
1 1072 . 4 2 2 B 25 25 SER C C 123 175.075 172.589 2.486 1
1 1073 . 4 2 2 B 25 25 SER CA C 123 59.547 57.187 2.360 1
1 1074 . 4 2 2 B 25 25 SER CB C 123 63.540 65.404 -1.864 1
1 1075 . 4 2 2 B 25 25 SER N N 123 116.405 113.170 3.235 1
1 1076 . 4 2 2 B 26 26 MET H H 124 8.221 8.841 -0.620 1
1 1077 . 4 2 2 B 26 26 MET HA H 124 4.500 5.120 -0.620 1
1 1082 . 4 2 2 B 26 26 MET C C 124 176.355 175.256 1.099 1
1 1083 . 4 2 2 B 26 26 MET CA C 124 56.279 53.762 2.517 1
1 1084 . 4 2 2 B 26 26 MET CB C 124 32.900 34.843 -1.943 1
1 1086 . 4 2 2 B 26 26 MET N N 124 121.210 123.639 -2.429 1
1 1087 . 4 2 2 B 27 27 LYS H H 125 7.991 8.351 -0.360 1
1 1088 . 4 2 2 B 27 27 LYS HA H 125 4.352 5.099 -0.747 1
1 1097 . 4 2 2 B 27 27 LYS C C 125 176.355 174.881 1.474 1
1 1098 . 4 2 2 B 27 27 LYS CA C 125 56.656 55.296 1.360 1
1 1099 . 4 2 2 B 27 27 LYS CB C 125 33.529 36.961 -3.432 1
1 1103 . 4 2 2 B 27 27 LYS N N 125 121.457 118.851 2.606 1
1 1104 . 4 2 2 B 28 28 GLU H H 126 8.216 8.887 -0.671 1
1 1105 . 4 2 2 B 28 28 GLU N N 126 122.890 119.600 3.290 1
1 1106 . 4 2 2 B 29 29 PRO HA H 127 4.396 4.279 0.117 1
1 1113 . 4 2 2 B 29 29 PRO C C 127 176.812 175.350 1.462 1
1 1114 . 4 2 2 B 29 29 PRO CA C 127 63.821 62.528 1.293 1
1 1115 . 4 2 2 B 29 29 PRO CB C 127 32.272 32.126 0.146 1
1 1118 . 4 2 2 B 30 30 ALA H H 128 8.282 8.232 0.050 1
1 1119 . 4 2 2 B 30 30 ALA HA H 128 4.316 4.312 0.004 1
1 1123 . 4 2 2 B 30 30 ALA C C 128 177.589 176.905 0.684 1
1 1124 . 4 2 2 B 30 30 ALA CA C 128 53.192 50.593 2.599 1
1 1125 . 4 2 2 B 30 30 ALA CB C 128 19.703 19.638 0.065 1
1 1126 . 4 2 2 B 30 30 ALA N N 128 123.577 124.578 -1.001 1
1 1127 . 4 2 2 B 31 31 PHE H H 129 8.035 8.566 -0.531 1
1 1128 . 4 2 2 B 31 31 PHE HA H 129 4.637 4.704 -0.067 1
1 1135 . 4 2 2 B 31 31 PHE C C 129 175.624 176.799 -1.175 1
1 1136 . 4 2 2 B 31 31 PHE CA C 129 58.039 58.873 -0.834 1
1 1137 . 4 2 2 B 31 31 PHE CB C 129 40.065 41.045 -0.980 1
1 1140 . 4 2 2 B 31 31 PHE N N 129 118.994 122.263 -3.269 1
1 1141 . 4 2 2 B 32 32 ARG H H 130 8.066 7.927 0.139 1
1 1142 . 4 2 2 B 32 32 ARG HA H 130 4.351 4.532 -0.181 1
1 1149 . 4 2 2 B 32 32 ARG C C 130 175.875 175.234 0.641 1
1 1150 . 4 2 2 B 32 32 ARG CA C 130 56.154 55.985 0.169 1
1 1151 . 4 2 2 B 32 32 ARG CB C 130 31.643 31.328 0.315 1
1 1154 . 4 2 2 B 32 32 ARG N N 130 123.094 117.112 5.982 1
1 1155 . 4 2 2 B 33 33 GLU H H 131 8.389 7.713 0.676 1
1 1156 . 4 2 2 B 33 33 GLU HA H 131 4.295 4.764 -0.469 1
1 1161 . 4 2 2 B 33 33 GLU C C 131 176.766 174.346 2.420 1
1 1162 . 4 2 2 B 33 33 GLU CA C 131 57.285 55.488 1.797 1
1 1163 . 4 2 2 B 33 33 GLU CB C 131 30.512 33.362 -2.850 1
1 1165 . 4 2 2 B 33 33 GLU N N 131 122.719 118.956 3.763 1
1 1166 . 4 2 2 B 34 34 GLU H H 132 8.526 8.551 -0.025 1
1 1167 . 4 2 2 B 34 34 GLU HA H 132 4.321 4.580 -0.259 1
1 1172 . 4 2 2 B 34 34 GLU C C 132 176.560 175.693 0.867 1
1 1173 . 4 2 2 B 34 34 GLU CA C 132 57.400 56.878 0.522 1
1 1174 . 4 2 2 B 34 34 GLU CB C 132 30.512 31.742 -1.230 1
1 1176 . 4 2 2 B 34 34 GLU N N 132 122.122 122.009 0.113 1
1 1177 . 4 2 2 B 35 35 ASN H H 133 8.379 8.141 0.238 1
1 1178 . 4 2 2 B 35 35 ASN HA H 133 4.712 5.090 -0.378 1
1 1181 . 4 2 2 B 35 35 ASN C C 133 175.258 174.442 0.816 1
1 1182 . 4 2 2 B 35 35 ASN CA C 133 53.765 51.779 1.986 1
1 1183 . 4 2 2 B 35 35 ASN CB C 133 39.562 41.463 -1.901 1
1 1184 . 4 2 2 B 35 35 ASN N N 133 119.552 117.582 1.970 1
1 1185 . 4 2 2 B 36 36 ALA H H 134 8.175 8.479 -0.304 1
1 1186 . 4 2 2 B 36 36 ALA HA H 134 4.308 4.756 -0.448 1
1 1190 . 4 2 2 B 36 36 ALA C C 134 177.520 177.083 0.437 1
1 1191 . 4 2 2 B 36 36 ALA CA C 134 53.192 50.983 2.209 1
1 1192 . 4 2 2 B 36 36 ALA CB C 134 19.703 19.972 -0.269 1
1 1193 . 4 2 2 B 36 36 ALA N N 134 124.376 125.406 -1.030 1
1 1194 . 4 2 2 B 37 37 ASN H H 135 8.238 8.045 0.193 1
1 1195 . 4 2 2 B 37 37 ASN HA H 135 4.713 5.098 -0.385 1
1 1198 . 4 2 2 B 37 37 ASN C C 135 175.144 174.742 0.402 1
1 1199 . 4 2 2 B 37 37 ASN CA C 135 53.640 52.109 1.531 1
1 1200 . 4 2 2 B 37 37 ASN CB C 135 39.311 40.380 -1.069 1
1 1201 . 4 2 2 B 37 37 ASN N N 135 117.103 116.609 0.494 1
1 1202 . 4 2 2 B 38 38 PHE H H 136 7.997 8.924 -0.927 1
1 1203 . 4 2 2 B 38 38 PHE HA H 136 4.678 5.164 -0.486 1
1 1210 . 4 2 2 B 38 38 PHE C C 136 175.601 173.275 2.326 1
1 1211 . 4 2 2 B 38 38 PHE CA C 136 58.165 56.440 1.725 1
1 1212 . 4 2 2 B 38 38 PHE CB C 136 39.939 42.209 -2.270 1
1 1215 . 4 2 2 B 38 38 PHE N N 136 120.229 123.200 -2.971 1
1 1216 . 4 2 2 B 39 39 ASN H H 137 8.272 8.756 -0.484 1
1 1217 . 4 2 2 B 39 39 ASN HA H 137 4.752 5.101 -0.349 1
1 1220 . 4 2 2 B 39 39 ASN C C 137 174.047 174.093 -0.046 1
1 1221 . 4 2 2 B 39 39 ASN CA C 137 53.891 52.428 1.463 1
1 1222 . 4 2 2 B 39 39 ASN CB C 137 39.688 40.263 -0.575 1
1 1223 . 4 2 2 B 39 39 ASN N N 137 120.594 126.746 -6.152 1
1 3 . 5 1 1 A 4 4 PRO HA H 2 4.509 4.531 -0.022 1
1 10 . 5 1 1 A 4 4 PRO C C 2 177.132 175.379 1.753 1
1 11 . 5 1 1 A 4 4 PRO CA C 2 63.529 63.271 0.258 1
1 12 . 5 1 1 A 4 4 PRO CB C 2 32.476 32.202 0.274 1
1 15 . 5 1 1 A 5 5 VAL H H 3 8.201 8.421 -0.220 1
1 16 . 5 1 1 A 5 5 VAL HA H 3 4.152 4.944 -0.792 1
1 24 . 5 1 1 A 5 5 VAL C C 3 176.423 174.005 2.418 1
1 25 . 5 1 1 A 5 5 VAL CA C 3 62.873 59.192 3.681 1
1 26 . 5 1 1 A 5 5 VAL CB C 3 33.455 34.705 -1.250 1
1 28 . 5 1 1 A 5 5 VAL N N 3 120.488 122.987 -2.499 1
1 29 . 5 1 1 A 6 6 SER H H 4 8.276 8.853 -0.577 1
1 30 . 5 1 1 A 6 6 SER HA H 4 4.494 5.228 -0.734 1
1 33 . 5 1 1 A 6 6 SER C C 4 174.687 173.316 1.371 1
1 34 . 5 1 1 A 6 6 SER CA C 4 58.375 57.715 0.660 1
1 35 . 5 1 1 A 6 6 SER CB C 4 64.295 64.561 -0.266 1
1 36 . 5 1 1 A 6 6 SER N N 4 119.000 123.290 -4.290 1
1 37 . 5 1 1 A 7 7 LEU H H 5 8.238 8.670 -0.432 1
1 38 . 5 1 1 A 7 7 LEU HA H 5 4.406 5.113 -0.707 1
1 44 . 5 1 1 A 7 7 LEU C C 5 177.406 175.837 1.569 1
1 45 . 5 1 1 A 7 7 LEU CA C 5 55.766 53.022 2.744 1
1 46 . 5 1 1 A 7 7 LEU CB C 5 43.083 43.640 -0.557 1
1 48 . 5 1 1 A 7 7 LEU N N 5 124.704 123.649 1.055 1
1 49 . 5 1 1 A 8 8 SER H H 6 8.148 8.623 -0.475 1
1 50 . 5 1 1 A 8 8 SER HA H 6 4.438 4.870 -0.432 1
1 53 . 5 1 1 A 8 8 SER C C 6 174.321 171.939 2.382 1
1 54 . 5 1 1 A 8 8 SER CA C 6 58.718 56.484 2.234 1
1 55 . 5 1 1 A 8 8 SER CB C 6 64.295 64.893 -0.598 1
1 56 . 5 1 1 A 8 8 SER N N 6 115.960 116.506 -0.546 1
1 57 . 5 1 1 A 9 9 TYR H H 7 7.954 8.958 -1.004 1
1 58 . 5 1 1 A 9 9 TYR HA H 7 4.585 4.910 -0.325 1
1 65 . 5 1 1 A 9 9 TYR C C 7 175.532 175.517 0.015 1
1 66 . 5 1 1 A 9 9 TYR CA C 7 58.335 56.917 1.418 1
1 67 . 5 1 1 A 9 9 TYR CB C 7 39.474 37.769 1.705 1
1 70 . 5 1 1 A 9 9 TYR N N 7 121.884 121.163 0.721 1
1 71 . 5 1 1 A 10 10 ARG H H 8 8.117 8.428 -0.311 1
1 72 . 5 1 1 A 10 10 ARG HA H 8 4.349 4.837 -0.488 1
1 79 . 5 1 1 A 10 10 ARG C C 8 175.898 174.329 1.569 1
1 80 . 5 1 1 A 10 10 ARG CA C 8 56.048 54.302 1.746 1
1 81 . 5 1 1 A 10 10 ARG CB C 8 31.492 33.171 -1.679 1
1 84 . 5 1 1 A 10 10 ARG N N 8 121.977 123.323 -1.346 1
1 85 . 5 1 1 A 11 11 CYS H H 9 8.127 8.513 -0.386 1
1 86 . 5 1 1 A 11 11 CYS HA H 9 5.004 5.170 -0.166 1
1 89 . 5 1 1 A 11 11 CYS C C 9 177.771 173.973 3.798 1
1 90 . 5 1 1 A 11 11 CYS CA C 9 53.192 52.933 0.259 1
1 91 . 5 1 1 A 11 11 CYS CB C 9 40.897 44.573 -3.676 1
1 92 . 5 1 1 A 11 11 CYS N N 9 121.209 119.664 1.545 1
1 93 . 5 1 1 A 12 12 PRO HA H 10 4.340 4.365 -0.025 1
1 100 . 5 1 1 A 12 12 PRO CA C 10 65.478 65.490 -0.012 1
1 101 . 5 1 1 A 12 12 PRO CB C 10 32.904 31.293 1.611 1
1 104 . 5 1 1 A 13 13 CYS H H 11 8.662 7.974 0.688 1
1 105 . 5 1 1 A 13 13 CYS C C 11 174.618 173.798 0.820 1
1 106 . 5 1 1 A 13 13 CYS N N 11 114.595 115.231 -0.636 1
1 107 . 5 1 1 A 14 14 ARG H H 12 8.236 8.955 -0.719 1
1 108 . 5 1 1 A 14 14 ARG HA H 12 4.075 4.215 -0.140 1
1 115 . 5 1 1 A 14 14 ARG C C 12 175.098 175.825 -0.727 1
1 116 . 5 1 1 A 14 14 ARG CA C 12 57.370 58.168 -0.798 1
1 117 . 5 1 1 A 14 14 ARG CB C 12 31.631 31.239 0.392 1
1 120 . 5 1 1 A 14 14 ARG N N 12 122.779 127.611 -4.832 1
1 121 . 5 1 1 A 15 15 PHE H H 13 7.603 8.279 -0.676 1
1 122 . 5 1 1 A 15 15 PHE HA H 13 4.515 4.954 -0.439 1
1 129 . 5 1 1 A 15 15 PHE C C 13 174.162 175.171 -1.009 1
1 130 . 5 1 1 A 15 15 PHE CA C 13 56.289 56.382 -0.093 1
1 131 . 5 1 1 A 15 15 PHE CB C 13 41.320 40.763 0.557 1
1 134 . 5 1 1 A 15 15 PHE N N 13 116.797 116.758 0.039 1
1 135 . 5 1 1 A 16 16 PHE H H 14 8.112 8.689 -0.577 1
1 136 . 5 1 1 A 16 16 PHE HA H 14 4.783 5.564 -0.781 1
1 143 . 5 1 1 A 16 16 PHE C C 14 175.441 173.601 1.840 1
1 144 . 5 1 1 A 16 16 PHE CA C 14 55.767 55.479 0.288 1
1 145 . 5 1 1 A 16 16 PHE CB C 14 41.320 41.466 -0.146 1
1 148 . 5 1 1 A 16 16 PHE N N 14 118.930 120.539 -1.609 1
1 149 . 5 1 1 A 17 17 GLU H H 15 8.820 9.169 -0.349 1
1 150 . 5 1 1 A 17 17 GLU HA H 15 4.616 4.595 0.021 1
1 155 . 5 1 1 A 17 17 GLU C C 15 176.857 175.883 0.974 1
1 156 . 5 1 1 A 17 17 GLU CA C 15 56.289 56.022 0.267 1
1 157 . 5 1 1 A 17 17 GLU CB C 15 31.173 30.260 0.913 1
1 159 . 5 1 1 A 17 17 GLU N N 15 122.825 123.651 -0.826 1
1 160 . 5 1 1 A 18 18 SER H H 16 8.746 8.754 -0.008 1
1 161 . 5 1 1 A 18 18 SER HA H 16 4.759 5.353 -0.594 1
1 164 . 5 1 1 A 18 18 SER C C 16 177.497 174.615 2.882 1
1 165 . 5 1 1 A 18 18 SER CA C 16 59.328 58.490 0.838 1
1 166 . 5 1 1 A 18 18 SER CB C 16 64.515 63.874 0.641 1
1 167 . 5 1 1 A 18 18 SER N N 16 118.860 120.009 -1.149 1
1 168 . 5 1 1 A 19 19 HIS H H 17 8.761 8.859 -0.098 1
1 169 . 5 1 1 A 19 19 HIS HA H 17 4.859 4.230 0.629 1
1 174 . 5 1 1 A 19 19 HIS C C 17 174.618 174.490 0.128 1
1 175 . 5 1 1 A 19 19 HIS CA C 17 56.449 56.702 -0.253 1
1 176 . 5 1 1 A 19 19 HIS CB C 17 29.870 27.054 2.816 1
1 179 . 5 1 1 A 19 19 HIS N N 17 120.535 116.944 3.591 1
1 180 . 5 1 1 A 20 20 VAL H H 18 7.211 8.180 -0.969 1
1 181 . 5 1 1 A 20 20 VAL HA H 18 4.160 4.249 -0.089 1
1 189 . 5 1 1 A 20 20 VAL C C 18 174.436 175.453 -1.017 1
1 190 . 5 1 1 A 20 20 VAL CA C 18 62.167 61.120 1.047 1
1 191 . 5 1 1 A 20 20 VAL CB C 18 34.426 33.157 1.269 1
1 193 . 5 1 1 A 20 20 VAL N N 18 120.872 119.092 1.780 1
1 194 . 5 1 1 A 21 21 ALA H H 19 8.535 8.693 -0.158 1
1 195 . 5 1 1 A 21 21 ALA HA H 19 4.402 4.312 0.090 1
1 199 . 5 1 1 A 21 21 ALA C C 19 177.657 178.259 -0.602 1
1 200 . 5 1 1 A 21 21 ALA CA C 19 51.193 52.457 -1.264 1
1 201 . 5 1 1 A 21 21 ALA CB C 19 19.790 18.999 0.791 1
1 202 . 5 1 1 A 21 21 ALA N N 19 131.339 126.816 4.523 1
1 203 . 5 1 1 A 22 22 ARG H H 20 7.815 8.144 -0.329 1
1 204 . 5 1 1 A 22 22 ARG HA H 20 2.495 2.881 -0.386 1
1 211 . 5 1 1 A 22 22 ARG C C 20 178.365 176.970 1.395 1
1 212 . 5 1 1 A 22 22 ARG CA C 20 59.379 57.683 1.696 1
1 213 . 5 1 1 A 22 22 ARG CB C 20 29.572 29.110 0.462 1
1 216 . 5 1 1 A 22 22 ARG N N 20 124.365 123.972 0.393 1
1 217 . 5 1 1 A 23 23 ALA H H 21 8.135 7.447 0.688 1
1 218 . 5 1 1 A 23 23 ALA HA H 21 4.070 4.101 -0.031 1
1 222 . 5 1 1 A 23 23 ALA C C 21 178.000 178.003 -0.003 1
1 223 . 5 1 1 A 23 23 ALA CA C 21 54.100 53.136 0.964 1
1 224 . 5 1 1 A 23 23 ALA CB C 21 18.713 18.623 0.090 1
1 225 . 5 1 1 A 23 23 ALA N N 21 117.156 121.288 -4.132 1
1 226 . 5 1 1 A 24 24 ASN H H 22 7.712 7.760 -0.048 1
1 227 . 5 1 1 A 24 24 ASN HA H 22 5.008 4.775 0.233 1
1 232 . 5 1 1 A 24 24 ASN C C 22 174.938 174.892 0.046 1
1 233 . 5 1 1 A 24 24 ASN CA C 22 52.869 52.828 0.041 1
1 234 . 5 1 1 A 24 24 ASN CB C 22 40.573 38.903 1.670 1
1 235 . 5 1 1 A 24 24 ASN N N 22 112.819 115.238 -2.419 1
1 237 . 5 1 1 A 25 25 VAL H H 23 7.508 7.341 0.167 1
1 238 . 5 1 1 A 25 25 VAL HA H 23 4.896 4.293 0.603 1
1 246 . 5 1 1 A 25 25 VAL C C 23 175.829 175.515 0.314 1
1 247 . 5 1 1 A 25 25 VAL CA C 23 59.870 60.801 -0.931 1
1 248 . 5 1 1 A 25 25 VAL CB C 23 35.396 33.367 2.029 1
1 251 . 5 1 1 A 25 25 VAL N N 23 119.721 119.319 0.402 1
1 252 . 5 1 1 A 26 26 LYS H H 24 9.483 9.044 0.439 1
1 253 . 5 1 1 A 26 26 LYS HA H 24 4.350 4.294 0.056 1
1 262 . 5 1 1 A 26 26 LYS C C 24 176.606 176.413 0.193 1
1 263 . 5 1 1 A 26 26 LYS CA C 24 58.977 57.256 1.721 1
1 264 . 5 1 1 A 26 26 LYS CB C 24 34.567 33.008 1.559 1
1 268 . 5 1 1 A 26 26 LYS N N 24 128.029 125.855 2.174 1
1 269 . 5 1 1 A 27 27 HIS H H 25 7.223 7.739 -0.516 1
1 270 . 5 1 1 A 27 27 HIS HA H 25 4.979 4.904 0.075 1
1 275 . 5 1 1 A 27 27 HIS C C 25 178.434 172.555 5.879 1
1 276 . 5 1 1 A 27 27 HIS CA C 25 55.406 54.828 0.578 1
1 277 . 5 1 1 A 27 27 HIS CB C 25 32.904 31.056 1.848 1
1 280 . 5 1 1 A 27 27 HIS N N 25 109.556 113.780 -4.224 1
1 281 . 5 1 1 A 28 28 LEU H H 26 8.149 8.706 -0.557 1
1 282 . 5 1 1 A 28 28 LEU HA H 26 5.190 5.217 -0.027 1
1 292 . 5 1 1 A 28 28 LEU C C 26 175.510 175.236 0.274 1
1 293 . 5 1 1 A 28 28 LEU CA C 26 53.480 53.355 0.125 1
1 294 . 5 1 1 A 28 28 LEU CB C 26 45.235 45.113 0.122 1
1 298 . 5 1 1 A 28 28 LEU N N 26 117.106 119.719 -2.613 1
1 299 . 5 1 1 A 29 29 LYS H H 27 9.578 9.344 0.234 1
1 300 . 5 1 1 A 29 29 LYS HA H 27 5.385 5.093 0.292 1
1 309 . 5 1 1 A 29 29 LYS C C 27 174.801 174.673 0.128 1
1 310 . 5 1 1 A 29 29 LYS CA C 27 55.165 54.633 0.532 1
1 311 . 5 1 1 A 29 29 LYS CB C 27 35.253 35.273 -0.020 1
1 315 . 5 1 1 A 29 29 LYS N N 27 123.488 123.473 0.015 1
1 316 . 5 1 1 A 30 30 ILE H H 28 9.133 9.058 0.075 1
1 317 . 5 1 1 A 30 30 ILE HA H 28 4.925 4.850 0.075 1
1 327 . 5 1 1 A 30 30 ILE C C 28 176.949 175.340 1.609 1
1 328 . 5 1 1 A 30 30 ILE CA C 28 60.542 59.623 0.919 1
1 329 . 5 1 1 A 30 30 ILE CB C 28 39.600 40.040 -0.440 1
1 333 . 5 1 1 A 30 30 ILE N N 28 123.846 127.900 -4.054 1
1 334 . 5 1 1 A 31 31 LEU H H 29 8.830 9.122 -0.292 1
1 335 . 5 1 1 A 31 31 LEU HA H 29 4.533 5.213 -0.680 1
1 344 . 5 1 1 A 31 31 LEU C C 29 176.012 174.584 1.428 1
1 345 . 5 1 1 A 31 31 LEU CA C 29 55.406 53.021 2.385 1
1 346 . 5 1 1 A 31 31 LEU CB C 29 43.180 45.987 -2.807 1
1 349 . 5 1 1 A 31 31 LEU N N 29 128.649 124.984 3.665 1
1 350 . 5 1 1 A 32 32 ASN H H 30 8.211 8.865 -0.654 1
1 351 . 5 1 1 A 32 32 ASN HA H 30 5.014 5.343 -0.329 1
1 356 . 5 1 1 A 32 32 ASN C C 30 174.664 174.384 0.280 1
1 357 . 5 1 1 A 32 32 ASN CA C 30 52.517 51.798 0.719 1
1 358 . 5 1 1 A 32 32 ASN CB C 30 38.776 41.064 -2.288 1
1 359 . 5 1 1 A 32 32 ASN N N 30 120.791 120.543 0.248 1
1 361 . 5 1 1 A 33 33 THR H H 31 7.896 8.693 -0.797 1
1 362 . 5 1 1 A 33 33 THR HA H 31 4.842 4.955 -0.113 1
1 367 . 5 1 1 A 33 33 THR CA C 31 58.369 58.849 -0.480 1
1 368 . 5 1 1 A 33 33 THR CB C 31 70.011 69.617 0.394 1
1 370 . 5 1 1 A 33 33 THR N N 31 115.811 117.219 -1.408 1
1 371 . 5 1 1 A 34 34 PRO HA H 32 4.317 4.553 -0.236 1
1 378 . 5 1 1 A 34 34 PRO CA C 32 65.164 64.061 1.103 1
1 379 . 5 1 1 A 34 34 PRO CB C 32 32.484 32.601 -0.117 1
1 382 . 5 1 1 A 35 35 ASN H H 33 8.256 8.606 -0.350 1
1 383 . 5 1 1 A 35 35 ASN HA H 33 4.651 5.060 -0.409 1
1 388 . 5 1 1 A 35 35 ASN C C 33 174.710 174.058 0.652 1
1 389 . 5 1 1 A 35 35 ASN CA C 33 54.532 54.258 0.274 1
1 390 . 5 1 1 A 35 35 ASN CB C 33 39.167 41.328 -2.161 1
1 391 . 5 1 1 A 35 35 ASN N N 33 120.081 117.068 3.013 1
1 393 . 5 1 1 A 36 36 CYS H H 34 7.548 7.738 -0.190 1
1 394 . 5 1 1 A 36 36 CYS HA H 34 4.693 4.907 -0.214 1
1 397 . 5 1 1 A 36 36 CYS C C 34 173.865 173.429 0.436 1
1 398 . 5 1 1 A 36 36 CYS CA C 34 55.447 54.916 0.531 1
1 399 . 5 1 1 A 36 36 CYS CB C 34 45.228 47.141 -1.913 1
1 400 . 5 1 1 A 36 36 CYS N N 34 117.076 116.110 0.966 1
1 401 . 5 1 1 A 37 37 ALA H H 35 8.469 8.394 0.075 1
1 402 . 5 1 1 A 37 37 ALA HA H 35 4.252 4.187 0.065 1
1 406 . 5 1 1 A 37 37 ALA C C 35 176.423 177.251 -0.828 1
1 407 . 5 1 1 A 37 37 ALA CA C 35 53.537 52.169 1.368 1
1 408 . 5 1 1 A 37 37 ALA CB C 35 19.202 19.939 -0.737 1
1 409 . 5 1 1 A 37 37 ALA N N 35 125.153 125.345 -0.192 1
1 410 . 5 1 1 A 38 38 CYS H H 36 8.315 8.296 0.019 1
1 411 . 5 1 1 A 38 38 CYS HA H 36 4.211 4.261 -0.050 1
1 414 . 5 1 1 A 38 38 CYS C C 36 173.705 173.629 0.076 1
1 415 . 5 1 1 A 38 38 CYS CA C 36 58.616 60.028 -1.412 1
1 416 . 5 1 1 A 38 38 CYS CB C 36 45.705 27.702 18.003 1
1 417 . 5 1 1 A 38 38 CYS N N 36 118.837 118.115 0.722 1
1 418 . 5 1 1 A 39 39 GLN H H 37 8.926 8.831 0.095 1
1 419 . 5 1 1 A 39 39 GLN HA H 37 4.609 4.948 -0.339 1
1 426 . 5 1 1 A 39 39 GLN C C 37 173.636 174.013 -0.377 1
1 427 . 5 1 1 A 39 39 GLN CA C 37 54.603 54.004 0.599 1
1 428 . 5 1 1 A 39 39 GLN CB C 37 31.761 32.162 -0.401 1
1 430 . 5 1 1 A 39 39 GLN N N 37 128.567 126.665 1.902 1
1 432 . 5 1 1 A 40 40 ILE H H 38 8.874 8.932 -0.058 1
1 433 . 5 1 1 A 40 40 ILE HA H 38 5.093 4.848 0.245 1
1 443 . 5 1 1 A 40 40 ILE C C 38 174.390 174.861 -0.471 1
1 444 . 5 1 1 A 40 40 ILE CA C 38 60.582 59.985 0.597 1
1 445 . 5 1 1 A 40 40 ILE CB C 38 40.048 40.090 -0.042 1
1 449 . 5 1 1 A 40 40 ILE N N 38 123.962 127.177 -3.215 1
1 450 . 5 1 1 A 41 41 VAL H H 39 9.120 9.410 -0.290 1
1 451 . 5 1 1 A 41 41 VAL HA H 39 4.905 4.918 -0.013 1
1 459 . 5 1 1 A 41 41 VAL C C 39 175.487 174.575 0.912 1
1 460 . 5 1 1 A 41 41 VAL CA C 39 59.980 61.118 -1.138 1
1 461 . 5 1 1 A 41 41 VAL CB C 39 35.868 33.888 1.980 1
1 464 . 5 1 1 A 41 41 VAL N N 39 126.354 128.050 -1.696 1
1 465 . 5 1 1 A 42 42 ALA H H 40 9.513 9.352 0.161 1
1 466 . 5 1 1 A 42 42 ALA HA H 40 5.154 5.475 -0.321 1
1 470 . 5 1 1 A 42 42 ALA C C 40 175.944 175.828 0.116 1
1 471 . 5 1 1 A 42 42 ALA CA C 40 50.591 50.007 0.584 1
1 472 . 5 1 1 A 42 42 ALA CB C 40 22.432 21.584 0.848 1
1 473 . 5 1 1 A 42 42 ALA N N 40 128.406 129.272 -0.866 1
1 474 . 5 1 1 A 43 43 ARG H H 41 7.706 8.450 -0.744 1
1 475 . 5 1 1 A 43 43 ARG HA H 41 4.978 4.748 0.230 1
1 482 . 5 1 1 A 43 43 ARG C C 41 175.510 175.785 -0.275 1
1 483 . 5 1 1 A 43 43 ARG CA C 41 54.162 55.737 -1.575 1
1 484 . 5 1 1 A 43 43 ARG CB C 41 31.200 31.691 -0.491 1
1 487 . 5 1 1 A 43 43 ARG N N 41 121.663 123.069 -1.406 1
1 488 . 5 1 1 A 44 44 LEU H H 42 9.164 8.541 0.623 1
1 489 . 5 1 1 A 44 44 LEU HA H 42 5.023 4.470 0.553 1
1 499 . 5 1 1 A 44 44 LEU C C 42 177.840 177.406 0.434 1
1 500 . 5 1 1 A 44 44 LEU CA C 42 54.724 54.346 0.378 1
1 501 . 5 1 1 A 44 44 LEU CB C 42 41.712 42.398 -0.686 1
1 505 . 5 1 1 A 44 44 LEU N N 42 129.087 124.682 4.405 1
1 506 . 5 1 1 A 45 45 LYS H H 43 8.414 8.325 0.089 1
1 507 . 5 1 1 A 45 45 LYS HA H 43 3.954 4.283 -0.329 1
1 516 . 5 1 1 A 45 45 LYS CA C 43 59.016 56.080 2.936 1
1 517 . 5 1 1 A 45 45 LYS CB C 43 34.102 33.332 0.770 1
1 520 . 5 1 1 A 45 45 LYS N N 43 119.674 121.105 -1.431 1
1 521 . 5 1 1 A 48 48 ASN HA H 46 4.723 4.975 -0.252 1
1 526 . 5 1 1 A 48 48 ASN C C 46 175.098 174.996 0.102 1
1 527 . 5 1 1 A 48 48 ASN CA C 46 54.764 51.918 2.846 1
1 528 . 5 1 1 A 48 48 ASN CB C 46 39.265 40.612 -1.347 1
1 530 . 5 1 1 A 49 49 ARG H H 47 7.914 8.540 -0.626 1
1 531 . 5 1 1 A 49 49 ARG HA H 47 4.352 4.599 -0.247 1
1 538 . 5 1 1 A 49 49 ARG C C 47 175.601 175.353 0.248 1
1 539 . 5 1 1 A 49 49 ARG CA C 47 57.051 55.180 1.871 1
1 540 . 5 1 1 A 49 49 ARG CB C 47 32.121 31.840 0.281 1
1 543 . 5 1 1 A 49 49 ARG N N 47 119.826 121.862 -2.036 1
1 544 . 5 1 1 A 50 50 GLN H H 48 8.542 8.846 -0.304 1
1 545 . 5 1 1 A 50 50 GLN HA H 48 5.495 5.142 0.353 1
1 552 . 5 1 1 A 50 50 GLN C C 48 175.578 174.875 0.703 1
1 553 . 5 1 1 A 50 50 GLN CA C 48 55.125 54.040 1.085 1
1 554 . 5 1 1 A 50 50 GLN CB C 48 32.121 32.377 -0.256 1
1 556 . 5 1 1 A 50 50 GLN N N 48 120.767 117.011 3.756 1
1 558 . 5 1 1 A 51 51 VAL H H 49 8.649 9.002 -0.353 1
1 559 . 5 1 1 A 51 51 VAL HA H 49 4.833 4.868 -0.035 1
1 567 . 5 1 1 A 51 51 VAL C C 49 175.258 173.840 1.418 1
1 568 . 5 1 1 A 51 51 VAL CA C 49 59.338 59.042 0.296 1
1 569 . 5 1 1 A 51 51 VAL CB C 49 36.155 35.551 0.604 1
1 572 . 5 1 1 A 51 51 VAL N N 49 116.678 116.525 0.153 1
1 573 . 5 1 1 A 52 52 CYS H H 50 9.099 8.615 0.484 1
1 574 . 5 1 1 A 52 52 CYS HA H 50 5.308 5.306 0.002 1
1 577 . 5 1 1 A 52 52 CYS C C 50 174.527 172.992 1.535 1
1 578 . 5 1 1 A 52 52 CYS CA C 50 58.054 54.447 3.607 1
1 579 . 5 1 1 A 52 52 CYS CB C 50 43.375 43.791 -0.416 1
1 580 . 5 1 1 A 52 52 CYS N N 50 124.549 120.140 4.409 1
1 581 . 5 1 1 A 53 53 ILE H H 51 8.479 9.791 -1.312 1
1 582 . 5 1 1 A 53 53 ILE HA H 51 4.974 4.748 0.226 1
1 592 . 5 1 1 A 53 53 ILE C C 51 173.019 174.809 -1.790 1
1 593 . 5 1 1 A 53 53 ILE CA C 51 58.897 59.962 -1.065 1
1 594 . 5 1 1 A 53 53 ILE CB C 51 42.201 40.717 1.484 1
1 598 . 5 1 1 A 53 53 ILE N N 51 122.581 124.938 -2.357 1
1 599 . 5 1 1 A 54 54 ASP H H 52 7.642 8.744 -1.102 1
1 600 . 5 1 1 A 54 54 ASP HA H 52 3.619 4.602 -0.983 1
1 603 . 5 1 1 A 54 54 ASP CA C 52 51.574 52.220 -0.646 1
1 604 . 5 1 1 A 54 54 ASP CB C 52 42.515 40.507 2.008 1
1 605 . 5 1 1 A 54 54 ASP N N 52 125.772 124.428 1.344 1
1 606 . 5 1 1 A 55 55 PRO HA H 53 4.023 4.288 -0.265 1
1 613 . 5 1 1 A 55 55 PRO C C 53 176.126 176.121 0.005 1
1 614 . 5 1 1 A 55 55 PRO CA C 53 63.993 63.786 0.207 1
1 615 . 5 1 1 A 55 55 PRO CB C 53 33.002 32.129 0.873 1
1 618 . 5 1 1 A 56 56 LYS H H 54 7.930 7.793 0.137 1
1 619 . 5 1 1 A 56 56 LYS HA H 54 4.000 4.426 -0.426 1
1 628 . 5 1 1 A 56 56 LYS C C 54 177.931 176.052 1.879 1
1 629 . 5 1 1 A 56 56 LYS CA C 54 56.770 55.620 1.150 1
1 630 . 5 1 1 A 56 56 LYS CB C 54 32.023 32.575 -0.552 1
1 634 . 5 1 1 A 56 56 LYS N N 54 112.924 119.126 -6.202 1
1 635 . 5 1 1 A 57 57 LEU H H 55 7.161 6.660 0.501 1
1 636 . 5 1 1 A 57 57 LEU HA H 55 4.065 4.170 -0.105 1
1 646 . 5 1 1 A 57 57 LEU C C 55 179.416 177.754 1.662 1
1 647 . 5 1 1 A 57 57 LEU CA C 55 56.088 53.998 2.090 1
1 648 . 5 1 1 A 57 57 LEU CB C 55 42.397 42.392 0.005 1
1 652 . 5 1 1 A 57 57 LEU N N 55 120.593 120.678 -0.085 1
1 653 . 5 1 1 A 58 58 LYS H H 56 8.716 8.637 0.079 1
1 654 . 5 1 1 A 58 58 LYS HA H 56 3.937 4.446 -0.509 1
1 663 . 5 1 1 A 58 58 LYS C C 56 178.937 178.298 0.639 1
1 664 . 5 1 1 A 58 58 LYS CA C 56 60.301 57.725 2.576 1
1 665 . 5 1 1 A 58 58 LYS CB C 56 32.121 34.350 -2.229 1
1 669 . 5 1 1 A 58 58 LYS N N 56 125.479 122.726 2.753 1
1 670 . 5 1 1 A 59 59 TRP H H 57 7.827 8.297 -0.470 1
1 671 . 5 1 1 A 59 59 TRP HA H 57 4.664 4.474 0.190 1
1 680 . 5 1 1 A 59 59 TRP C C 57 178.868 179.349 -0.481 1
1 681 . 5 1 1 A 59 59 TRP CA C 57 58.897 59.878 -0.981 1
1 682 . 5 1 1 A 59 59 TRP CB C 57 28.036 28.082 -0.046 1
1 688 . 5 1 1 A 59 59 TRP N N 57 113.433 119.823 -6.390 1
1 690 . 5 1 1 A 60 60 ILE H H 58 6.458 7.545 -1.087 1
1 691 . 5 1 1 A 60 60 ILE HA H 58 3.325 3.380 -0.055 1
1 701 . 5 1 1 A 60 60 ILE C C 58 177.726 177.811 -0.085 1
1 702 . 5 1 1 A 60 60 ILE CA C 58 64.314 64.949 -0.635 1
1 703 . 5 1 1 A 60 60 ILE CB C 58 35.897 37.274 -1.377 1
1 707 . 5 1 1 A 60 60 ILE N N 58 124.379 122.570 1.809 1
1 708 . 5 1 1 A 61 61 GLN H H 59 7.622 8.146 -0.524 1
1 709 . 5 1 1 A 61 61 GLN HA H 59 3.763 3.903 -0.140 1
1 716 . 5 1 1 A 61 61 GLN C C 59 178.434 179.123 -0.689 1
1 717 . 5 1 1 A 61 61 GLN CA C 59 59.379 59.433 -0.054 1
1 718 . 5 1 1 A 61 61 GLN CB C 59 28.602 28.373 0.229 1
1 720 . 5 1 1 A 61 61 GLN N N 59 119.070 118.432 0.638 1
1 722 . 5 1 1 A 62 62 GLU H H 60 8.064 8.046 0.018 1
1 723 . 5 1 1 A 62 62 GLU HA H 60 4.093 4.089 0.004 1
1 728 . 5 1 1 A 62 62 GLU C C 60 179.051 178.648 0.403 1
1 729 . 5 1 1 A 62 62 GLU CA C 60 59.659 59.297 0.362 1
1 730 . 5 1 1 A 62 62 GLU CB C 60 30.457 29.672 0.785 1
1 732 . 5 1 1 A 62 62 GLU N N 60 117.166 120.368 -3.202 1
1 733 . 5 1 1 A 63 63 TYR H H 61 7.913 8.283 -0.370 1
1 734 . 5 1 1 A 63 63 TYR HA H 61 4.265 4.213 0.052 1
1 741 . 5 1 1 A 63 63 TYR C C 61 178.617 177.404 1.213 1
1 742 . 5 1 1 A 63 63 TYR CA C 61 61.184 61.385 -0.201 1
1 743 . 5 1 1 A 63 63 TYR CB C 61 39.461 38.758 0.703 1
1 746 . 5 1 1 A 63 63 TYR N N 61 121.271 122.510 -1.239 1
1 747 . 5 1 1 A 64 64 LEU H H 62 8.252 9.135 -0.883 1
1 748 . 5 1 1 A 64 64 LEU HA H 62 3.977 3.913 0.064 1
1 758 . 5 1 1 A 64 64 LEU C C 62 179.553 179.257 0.296 1
1 759 . 5 1 1 A 64 64 LEU CA C 62 58.014 58.271 -0.257 1
1 760 . 5 1 1 A 64 64 LEU CB C 62 42.397 41.630 0.767 1
1 764 . 5 1 1 A 64 64 LEU N N 62 116.299 120.182 -3.883 1
1 765 . 5 1 1 A 65 65 GLU H H 63 8.453 8.344 0.109 1
1 766 . 5 1 1 A 65 65 GLU HA H 63 3.853 3.906 -0.053 1
1 771 . 5 1 1 A 65 65 GLU C C 63 179.279 179.621 -0.342 1
1 772 . 5 1 1 A 65 65 GLU CA C 63 60.301 59.932 0.369 1
1 773 . 5 1 1 A 65 65 GLU CB C 63 29.870 29.521 0.349 1
1 775 . 5 1 1 A 65 65 GLU N N 63 118.616 117.516 1.100 1
1 776 . 5 1 1 A 66 66 LYS H H 64 7.571 8.019 -0.448 1
1 777 . 5 1 1 A 66 66 LYS HA H 64 4.225 3.998 0.227 1
1 786 . 5 1 1 A 66 66 LYS C C 64 178.457 178.894 -0.437 1
1 787 . 5 1 1 A 66 66 LYS CA C 64 58.496 59.357 -0.861 1
1 788 . 5 1 1 A 66 66 LYS CB C 64 32.400 32.302 0.098 1
1 792 . 5 1 1 A 66 66 LYS N N 64 117.166 118.891 -1.725 1
1 793 . 5 1 1 A 67 67 CYS H H 65 7.916 7.940 -0.024 1
1 794 . 5 1 1 A 67 67 CYS HA H 65 4.561 3.923 0.638 1
1 797 . 5 1 1 A 67 67 CYS C C 65 174.893 177.033 -2.140 1
1 798 . 5 1 1 A 67 67 CYS CA C 65 56.329 62.439 -6.110 1
1 799 . 5 1 1 A 67 67 CYS CB C 65 45.235 26.736 18.499 1
1 800 . 5 1 1 A 67 67 CYS N N 65 115.312 118.792 -3.480 1
1 801 . 5 1 1 A 68 68 LEU H H 66 7.556 8.183 -0.627 1
1 802 . 5 1 1 A 68 68 LEU HA H 66 4.520 3.973 0.547 1
1 812 . 5 1 1 A 68 68 LEU C C 66 176.812 178.846 -2.034 1
1 813 . 5 1 1 A 68 68 LEU CA C 66 55.366 58.090 -2.724 1
1 814 . 5 1 1 A 68 68 LEU CB C 66 43.278 41.433 1.845 1
1 818 . 5 1 1 A 68 68 LEU N N 66 120.930 120.631 0.299 1
1 819 . 5 1 1 A 69 69 ASN H H 67 8.266 7.844 0.422 1
1 820 . 5 1 1 A 69 69 ASN HA H 67 4.681 4.761 -0.080 1
1 825 . 5 1 1 A 69 69 ASN CA C 67 53.761 54.368 -0.607 1
1 826 . 5 1 1 A 69 69 ASN CB C 67 39.069 39.376 -0.307 1
1 827 . 5 1 1 A 69 69 ASN N N 67 120.279 114.343 5.936 1
1 852 . 5 2 2 B 4 4 GLU H H 102 8.376 8.634 -0.258 1
1 853 . 5 2 2 B 4 4 GLU HA H 102 4.335 4.889 -0.554 1
1 858 . 5 2 2 B 4 4 GLU C C 102 177.132 175.870 1.262 1
1 859 . 5 2 2 B 4 4 GLU CA C 102 57.410 55.511 1.899 1
1 861 . 5 2 2 B 4 4 GLU N N 102 121.884 123.802 -1.918 1
1 862 . 5 2 2 B 5 5 GLY H H 103 8.380 8.439 -0.059 1
1 863 . 5 2 2 B 5 5 GLY HA2 H 103 4.003 4.148 -0.145 1
1 864 . 5 2 2 B 5 5 GLY HA3 H 103 4.003 4.149 -0.146 1
1 865 . 5 2 2 B 5 5 GLY C C 103 174.207 172.235 1.972 1
1 866 . 5 2 2 B 5 5 GLY CA C 103 45.750 45.434 0.316 1
1 867 . 5 2 2 B 5 5 GLY N N 103 110.055 108.441 1.614 1
1 868 . 5 2 2 B 6 6 ILE H H 104 7.851 8.671 -0.820 1
1 869 . 5 2 2 B 6 6 ILE HA H 104 4.305 4.163 0.142 1
1 879 . 5 2 2 B 6 6 ILE C C 104 176.401 175.792 0.609 1
1 880 . 5 2 2 B 6 6 ILE CA C 104 61.558 60.964 0.594 1
1 881 . 5 2 2 B 6 6 ILE CB C 104 39.436 36.759 2.677 1
1 885 . 5 2 2 B 6 6 ILE N N 104 119.606 125.024 -5.418 1
1 886 . 5 2 2 B 7 7 SER H H 105 8.369 8.077 0.292 1
1 887 . 5 2 2 B 7 7 SER HA H 105 4.564 4.455 0.109 1
1 890 . 5 2 2 B 7 7 SER C C 105 174.550 174.283 0.267 1
1 891 . 5 2 2 B 7 7 SER CA C 105 58.667 58.272 0.395 1
1 892 . 5 2 2 B 7 7 SER CB C 105 64.072 63.980 0.092 1
1 893 . 5 2 2 B 7 7 SER N N 105 119.853 123.017 -3.164 1
1 894 . 5 2 2 B 8 8 ILE H H 106 7.953 7.453 0.500 1
1 895 . 5 2 2 B 8 8 ILE HA H 106 4.224 3.953 0.271 1
1 905 . 5 2 2 B 8 8 ILE C C 106 175.921 175.126 0.795 1
1 906 . 5 2 2 B 8 8 ILE CA C 106 61.935 62.075 -0.140 1
1 907 . 5 2 2 B 8 8 ILE CB C 106 39.436 37.925 1.511 1
1 911 . 5 2 2 B 8 8 ILE N N 106 121.730 122.728 -0.998 1
1 912 . 5 2 2 B 9 9 TYR H H 107 8.171 9.040 -0.869 1
1 913 . 5 2 2 B 9 9 TYR HA H 107 4.736 4.421 0.315 1
1 920 . 5 2 2 B 9 9 TYR C C 107 176.058 175.926 0.132 1
1 921 . 5 2 2 B 9 9 TYR CA C 107 58.165 60.073 -1.908 1
1 922 . 5 2 2 B 9 9 TYR CB C 107 39.436 38.755 0.681 1
1 925 . 5 2 2 B 9 9 TYR N N 107 123.598 127.156 -3.558 1
1 926 . 5 2 2 B 10 10 THR H H 108 7.986 7.883 0.103 1
1 927 . 5 2 2 B 10 10 THR HA H 108 4.452 4.658 -0.206 1
1 932 . 5 2 2 B 10 10 THR C C 108 174.459 172.693 1.766 1
1 933 . 5 2 2 B 10 10 THR CA C 108 62.061 61.234 0.827 1
1 934 . 5 2 2 B 10 10 THR CB C 108 70.608 70.955 -0.347 1
1 936 . 5 2 2 B 10 10 THR N N 108 115.642 108.760 6.882 1
1 937 . 5 2 2 B 11 11 SER H H 109 8.193 8.642 -0.449 1
1 938 . 5 2 2 B 11 11 SER HA H 109 4.526 4.972 -0.446 1
1 941 . 5 2 2 B 11 11 SER C C 109 174.504 173.969 0.535 1
1 942 . 5 2 2 B 11 11 SER CA C 109 58.919 57.357 1.562 1
1 943 . 5 2 2 B 11 11 SER CB C 109 64.198 64.789 -0.591 1
1 944 . 5 2 2 B 11 11 SER N N 109 117.597 115.789 1.808 1
1 945 . 5 2 2 B 12 12 ASP H H 110 8.351 8.807 -0.456 1
1 946 . 5 2 2 B 12 12 ASP HA H 110 4.650 4.633 0.017 1
1 949 . 5 2 2 B 12 12 ASP C C 110 176.058 176.577 -0.519 1
1 950 . 5 2 2 B 12 12 ASP CA C 110 55.022 56.640 -1.618 1
1 951 . 5 2 2 B 12 12 ASP CB C 110 41.825 41.707 0.118 1
1 952 . 5 2 2 B 12 12 ASP N N 110 122.020 127.740 -5.720 1
1 953 . 5 2 2 B 13 13 ASN H H 111 8.230 7.857 0.373 1
1 954 . 5 2 2 B 13 13 ASN HA H 111 4.745 5.087 -0.342 1
1 957 . 5 2 2 B 13 13 ASN C C 111 175.030 174.263 0.767 1
1 958 . 5 2 2 B 13 13 ASN CA C 111 53.765 52.256 1.509 1
1 959 . 5 2 2 B 13 13 ASN CB C 111 39.562 41.505 -1.943 1
1 960 . 5 2 2 B 13 13 ASN N N 111 118.317 112.813 5.504 1
1 961 . 5 2 2 B 14 14 TYR H H 112 8.101 9.079 -0.978 1
1 962 . 5 2 2 B 14 14 TYR HA H 112 4.645 4.588 0.057 1
1 969 . 5 2 2 B 14 14 TYR C C 112 176.081 175.775 0.306 1
1 970 . 5 2 2 B 14 14 TYR CA C 112 58.793 60.785 -1.992 1
1 971 . 5 2 2 B 14 14 TYR CB C 112 39.436 39.513 -0.077 1
1 974 . 5 2 2 B 14 14 TYR N N 112 121.125 123.748 -2.623 1
1 975 . 5 2 2 B 15 15 THR H H 113 7.900 8.048 -0.148 1
1 976 . 5 2 2 B 15 15 THR HA H 113 4.332 4.004 0.328 1
1 981 . 5 2 2 B 15 15 THR C C 113 174.413 173.625 0.788 1
1 982 . 5 2 2 B 15 15 THR CA C 113 62.187 61.978 0.209 1
1 983 . 5 2 2 B 15 15 THR CB C 113 70.341 67.847 2.494 1
1 985 . 5 2 2 B 15 15 THR N N 113 116.394 112.221 4.173 1
1 986 . 5 2 2 B 16 16 GLU H H 114 8.283 8.809 -0.526 1
1 987 . 5 2 2 B 16 16 GLU HA H 114 4.275 4.658 -0.383 1
1 992 . 5 2 2 B 16 16 GLU C C 114 176.766 174.727 2.039 1
1 993 . 5 2 2 B 16 16 GLU CA C 114 57.410 54.531 2.879 1
1 994 . 5 2 2 B 16 16 GLU CB C 114 30.638 31.464 -0.826 1
1 996 . 5 2 2 B 16 16 GLU N N 114 123.052 125.570 -2.518 1
1 997 . 5 2 2 B 17 17 GLU H H 115 8.370 8.690 -0.320 1
1 998 . 5 2 2 B 17 17 GLU HA H 115 4.325 5.095 -0.770 1
1 1003 . 5 2 2 B 17 17 GLU C C 115 176.880 176.348 0.532 1
1 1004 . 5 2 2 B 17 17 GLU CA C 115 57.410 54.866 2.544 1
1 1005 . 5 2 2 B 17 17 GLU CB C 115 30.512 32.864 -2.352 1
1 1007 . 5 2 2 B 17 17 GLU N N 115 121.688 122.976 -1.288 1
1 1008 . 5 2 2 B 18 18 MET H H 116 8.314 8.597 -0.283 1
1 1009 . 5 2 2 B 18 18 MET HA H 116 4.509 5.027 -0.518 1
1 1014 . 5 2 2 B 18 18 MET C C 116 177.086 175.890 1.196 1
1 1015 . 5 2 2 B 18 18 MET CA C 116 56.279 53.926 2.353 1
1 1016 . 5 2 2 B 18 18 MET CB C 116 33.026 34.850 -1.824 1
1 1017 . 5 2 2 B 18 18 MET N N 116 121.270 124.587 -3.317 1
1 1018 . 5 2 2 B 19 19 GLY H H 117 8.384 8.209 0.175 1
1 1019 . 5 2 2 B 19 19 GLY HA2 H 117 4.061 4.119 -0.058 1
1 1020 . 5 2 2 B 19 19 GLY HA3 H 117 4.061 4.129 -0.068 1
1 1021 . 5 2 2 B 19 19 GLY C C 117 174.481 173.911 0.570 1
1 1022 . 5 2 2 B 19 19 GLY CA C 117 45.847 46.180 -0.333 1
1 1023 . 5 2 2 B 19 19 GLY N N 117 110.055 108.568 1.487 1
1 1024 . 5 2 2 B 20 20 SER H H 118 8.250 7.820 0.430 1
1 1025 . 5 2 2 B 20 20 SER HA H 118 4.495 4.807 -0.312 1
1 1028 . 5 2 2 B 20 20 SER C C 118 175.327 172.671 2.656 1
1 1029 . 5 2 2 B 20 20 SER CA C 118 58.919 57.431 1.488 1
1 1030 . 5 2 2 B 20 20 SER CB C 118 64.575 67.327 -2.752 1
1 1031 . 5 2 2 B 20 20 SER N N 118 115.664 112.068 3.596 1
1 1032 . 5 2 2 B 21 21 GLY H H 119 8.429 8.406 0.023 1
1 1033 . 5 2 2 B 21 21 GLY HA2 H 119 4.000 4.125 -0.125 1
1 1034 . 5 2 2 B 21 21 GLY HA3 H 119 4.000 4.136 -0.136 1
1 1035 . 5 2 2 B 21 21 GLY C C 119 174.002 172.871 1.131 1
1 1036 . 5 2 2 B 21 21 GLY CA C 119 45.721 45.852 -0.131 1
1 1037 . 5 2 2 B 21 21 GLY N N 119 110.872 109.509 1.363 1
1 1038 . 5 2 2 B 22 22 ASP H H 120 8.127 7.805 0.322 1
1 1039 . 5 2 2 B 22 22 ASP HA H 120 4.634 4.898 -0.264 1
1 1042 . 5 2 2 B 22 22 ASP C C 120 176.355 175.376 0.979 1
1 1043 . 5 2 2 B 22 22 ASP CA C 120 54.771 54.251 0.520 1
1 1044 . 5 2 2 B 22 22 ASP CB C 120 41.699 42.463 -0.764 1
1 1045 . 5 2 2 B 22 22 ASP N N 120 120.530 119.471 1.059 1
1 1046 . 5 2 2 B 23 23 TYR H H 121 8.097 8.859 -0.762 1
1 1047 . 5 2 2 B 23 23 TYR HA H 121 4.555 4.558 -0.003 1
1 1054 . 5 2 2 B 23 23 TYR C C 121 176.058 175.175 0.883 1
1 1055 . 5 2 2 B 23 23 TYR CA C 121 58.667 59.785 -1.118 1
1 1056 . 5 2 2 B 23 23 TYR CB C 121 39.311 40.273 -0.962 1
1 1059 . 5 2 2 B 23 23 TYR N N 121 120.584 125.942 -5.358 1
1 1060 . 5 2 2 B 24 24 ASP H H 122 8.224 7.965 0.259 1
1 1061 . 5 2 2 B 24 24 ASP HA H 122 4.621 4.877 -0.256 1
1 1064 . 5 2 2 B 24 24 ASP C C 122 176.835 175.626 1.209 1
1 1065 . 5 2 2 B 24 24 ASP CA C 122 55.022 53.345 1.677 1
1 1066 . 5 2 2 B 24 24 ASP CB C 122 41.825 41.002 0.823 1
1 1067 . 5 2 2 B 24 24 ASP N N 122 121.815 118.972 2.843 1
1 1068 . 5 2 2 B 25 25 SER H H 123 8.137 8.490 -0.353 1
1 1069 . 5 2 2 B 25 25 SER HA H 123 4.394 4.364 0.030 1
1 1072 . 5 2 2 B 25 25 SER C C 123 175.075 172.511 2.564 1
1 1073 . 5 2 2 B 25 25 SER CA C 123 59.547 58.803 0.744 1
1 1074 . 5 2 2 B 25 25 SER CB C 123 63.540 62.800 0.740 1
1 1075 . 5 2 2 B 25 25 SER N N 123 116.405 122.114 -5.709 1
1 1076 . 5 2 2 B 26 26 MET H H 124 8.221 8.744 -0.523 1
1 1077 . 5 2 2 B 26 26 MET HA H 124 4.500 5.384 -0.884 1
1 1082 . 5 2 2 B 26 26 MET C C 124 176.355 174.763 1.592 1
1 1083 . 5 2 2 B 26 26 MET CA C 124 56.279 54.361 1.918 1
1 1084 . 5 2 2 B 26 26 MET CB C 124 32.900 37.087 -4.187 1
1 1086 . 5 2 2 B 26 26 MET N N 124 121.210 121.742 -0.532 1
1 1087 . 5 2 2 B 27 27 LYS H H 125 7.991 8.608 -0.617 1
1 1088 . 5 2 2 B 27 27 LYS HA H 125 4.352 5.055 -0.703 1
1 1097 . 5 2 2 B 27 27 LYS C C 125 176.355 174.932 1.423 1
1 1098 . 5 2 2 B 27 27 LYS CA C 125 56.656 54.455 2.201 1
1 1099 . 5 2 2 B 27 27 LYS CB C 125 33.529 36.943 -3.414 1
1 1103 . 5 2 2 B 27 27 LYS N N 125 121.457 120.353 1.104 1
1 1104 . 5 2 2 B 28 28 GLU H H 126 8.216 8.706 -0.490 1
1 1105 . 5 2 2 B 28 28 GLU N N 126 122.890 121.104 1.786 1
1 1106 . 5 2 2 B 29 29 PRO HA H 127 4.396 4.795 -0.399 1
1 1113 . 5 2 2 B 29 29 PRO C C 127 176.812 175.988 0.824 1
1 1114 . 5 2 2 B 29 29 PRO CA C 127 63.821 62.700 1.121 1
1 1115 . 5 2 2 B 29 29 PRO CB C 127 32.272 33.469 -1.197 1
1 1118 . 5 2 2 B 30 30 ALA H H 128 8.282 8.403 -0.121 1
1 1119 . 5 2 2 B 30 30 ALA HA H 128 4.316 4.419 -0.103 1
1 1123 . 5 2 2 B 30 30 ALA C C 128 177.589 177.968 -0.379 1
1 1124 . 5 2 2 B 30 30 ALA CA C 128 53.192 50.869 2.323 1
1 1125 . 5 2 2 B 30 30 ALA CB C 128 19.703 19.328 0.375 1
1 1126 . 5 2 2 B 30 30 ALA N N 128 123.577 122.549 1.028 1
1 1127 . 5 2 2 B 31 31 PHE H H 129 8.035 8.038 -0.003 1
1 1128 . 5 2 2 B 31 31 PHE HA H 129 4.637 4.004 0.633 1
1 1135 . 5 2 2 B 31 31 PHE C C 129 175.624 175.226 0.398 1
1 1136 . 5 2 2 B 31 31 PHE CA C 129 58.039 62.217 -4.178 1
1 1137 . 5 2 2 B 31 31 PHE CB C 129 40.065 36.827 3.238 1
1 1140 . 5 2 2 B 31 31 PHE N N 129 118.994 112.822 6.172 1
1 1141 . 5 2 2 B 32 32 ARG H H 130 8.066 8.078 -0.012 1
1 1142 . 5 2 2 B 32 32 ARG HA H 130 4.351 4.623 -0.272 1
1 1149 . 5 2 2 B 32 32 ARG C C 130 175.875 175.943 -0.068 1
1 1150 . 5 2 2 B 32 32 ARG CA C 130 56.154 55.288 0.866 1
1 1151 . 5 2 2 B 32 32 ARG CB C 130 31.643 32.057 -0.414 1
1 1154 . 5 2 2 B 32 32 ARG N N 130 123.094 119.886 3.208 1
1 1155 . 5 2 2 B 33 33 GLU H H 131 8.389 8.519 -0.130 1
1 1156 . 5 2 2 B 33 33 GLU HA H 131 4.295 4.330 -0.035 1
1 1161 . 5 2 2 B 33 33 GLU C C 131 176.766 175.660 1.106 1
1 1162 . 5 2 2 B 33 33 GLU CA C 131 57.285 56.571 0.714 1
1 1163 . 5 2 2 B 33 33 GLU CB C 131 30.512 30.211 0.301 1
1 1165 . 5 2 2 B 33 33 GLU N N 131 122.719 120.517 2.202 1
1 1166 . 5 2 2 B 34 34 GLU H H 132 8.526 8.749 -0.223 1
1 1167 . 5 2 2 B 34 34 GLU HA H 132 4.321 4.845 -0.524 1
1 1172 . 5 2 2 B 34 34 GLU C C 132 176.560 174.870 1.690 1
1 1173 . 5 2 2 B 34 34 GLU CA C 132 57.400 54.877 2.523 1
1 1174 . 5 2 2 B 34 34 GLU CB C 132 30.512 31.218 -0.706 1
1 1176 . 5 2 2 B 34 34 GLU N N 132 122.122 124.196 -2.074 1
1 1177 . 5 2 2 B 35 35 ASN H H 133 8.379 9.038 -0.659 1
1 1178 . 5 2 2 B 35 35 ASN HA H 133 4.712 5.458 -0.746 1
1 1181 . 5 2 2 B 35 35 ASN C C 133 175.258 173.911 1.347 1
1 1182 . 5 2 2 B 35 35 ASN CA C 133 53.765 52.043 1.722 1
1 1183 . 5 2 2 B 35 35 ASN CB C 133 39.562 40.419 -0.857 1
1 1184 . 5 2 2 B 35 35 ASN N N 133 119.552 126.403 -6.851 1
1 1185 . 5 2 2 B 36 36 ALA H H 134 8.175 8.838 -0.663 1
1 1186 . 5 2 2 B 36 36 ALA HA H 134 4.308 4.888 -0.580 1
1 1190 . 5 2 2 B 36 36 ALA C C 134 177.520 175.649 1.871 1
1 1191 . 5 2 2 B 36 36 ALA CA C 134 53.192 51.517 1.675 1
1 1192 . 5 2 2 B 36 36 ALA CB C 134 19.703 19.756 -0.053 1
1 1193 . 5 2 2 B 36 36 ALA N N 134 124.376 128.437 -4.061 1
1 1194 . 5 2 2 B 37 37 ASN H H 135 8.238 9.267 -1.029 1
1 1195 . 5 2 2 B 37 37 ASN HA H 135 4.713 5.142 -0.429 1
1 1198 . 5 2 2 B 37 37 ASN C C 135 175.144 174.398 0.746 1
1 1199 . 5 2 2 B 37 37 ASN CA C 135 53.640 51.942 1.698 1
1 1200 . 5 2 2 B 37 37 ASN CB C 135 39.311 39.402 -0.091 1
1 1201 . 5 2 2 B 37 37 ASN N N 135 117.103 123.486 -6.383 1
1 1202 . 5 2 2 B 38 38 PHE H H 136 7.997 8.695 -0.698 1
1 1203 . 5 2 2 B 38 38 PHE HA H 136 4.678 5.653 -0.975 1
1 1210 . 5 2 2 B 38 38 PHE C C 136 175.601 173.295 2.306 1
1 1211 . 5 2 2 B 38 38 PHE CA C 136 58.165 55.423 2.742 1
1 1212 . 5 2 2 B 38 38 PHE CB C 136 39.939 42.025 -2.086 1
1 1215 . 5 2 2 B 38 38 PHE N N 136 120.229 122.415 -2.186 1
1 1216 . 5 2 2 B 39 39 ASN H H 137 8.272 8.952 -0.680 1
1 1217 . 5 2 2 B 39 39 ASN HA H 137 4.752 5.337 -0.585 1
1 1220 . 5 2 2 B 39 39 ASN C C 137 174.047 173.770 0.277 1
1 1221 . 5 2 2 B 39 39 ASN CA C 137 53.891 53.065 0.826 1
1 1222 . 5 2 2 B 39 39 ASN CB C 137 39.688 40.520 -0.832 1
1 1223 . 5 2 2 B 39 39 ASN N N 137 120.594 118.862 1.732 1
1 3 . 6 1 1 A 4 4 PRO HA H 2 4.509 4.779 -0.270 1
1 10 . 6 1 1 A 4 4 PRO C C 2 177.132 176.507 0.625 1
1 11 . 6 1 1 A 4 4 PRO CA C 2 63.529 62.770 0.759 1
1 12 . 6 1 1 A 4 4 PRO CB C 2 32.476 31.774 0.702 1
1 15 . 6 1 1 A 5 5 VAL H H 3 8.201 8.239 -0.038 1
1 16 . 6 1 1 A 5 5 VAL HA H 3 4.152 4.885 -0.733 1
1 24 . 6 1 1 A 5 5 VAL C C 3 176.423 175.780 0.643 1
1 25 . 6 1 1 A 5 5 VAL CA C 3 62.873 59.605 3.268 1
1 26 . 6 1 1 A 5 5 VAL CB C 3 33.455 35.163 -1.708 1
1 28 . 6 1 1 A 5 5 VAL N N 3 120.488 117.700 2.788 1
1 29 . 6 1 1 A 6 6 SER H H 4 8.276 8.684 -0.408 1
1 30 . 6 1 1 A 6 6 SER HA H 4 4.494 4.498 -0.004 1
1 33 . 6 1 1 A 6 6 SER C C 4 174.687 174.564 0.123 1
1 34 . 6 1 1 A 6 6 SER CA C 4 58.375 58.918 -0.543 1
1 35 . 6 1 1 A 6 6 SER CB C 4 64.295 65.197 -0.902 1
1 36 . 6 1 1 A 6 6 SER N N 4 119.000 116.664 2.336 1
1 37 . 6 1 1 A 7 7 LEU H H 5 8.238 8.071 0.167 1
1 38 . 6 1 1 A 7 7 LEU HA H 5 4.406 3.910 0.496 1
1 44 . 6 1 1 A 7 7 LEU C C 5 177.406 175.412 1.994 1
1 45 . 6 1 1 A 7 7 LEU CA C 5 55.766 55.910 -0.144 1
1 46 . 6 1 1 A 7 7 LEU CB C 5 43.083 39.674 3.409 1
1 48 . 6 1 1 A 7 7 LEU N N 5 124.704 122.579 2.125 1
1 49 . 6 1 1 A 8 8 SER H H 6 8.148 7.349 0.799 1
1 50 . 6 1 1 A 8 8 SER HA H 6 4.438 4.674 -0.236 1
1 53 . 6 1 1 A 8 8 SER C C 6 174.321 171.957 2.364 1
1 54 . 6 1 1 A 8 8 SER CA C 6 58.718 57.297 1.421 1
1 55 . 6 1 1 A 8 8 SER CB C 6 64.295 65.171 -0.876 1
1 56 . 6 1 1 A 8 8 SER N N 6 115.960 112.102 3.858 1
1 57 . 6 1 1 A 9 9 TYR H H 7 7.954 8.832 -0.878 1
1 58 . 6 1 1 A 9 9 TYR HA H 7 4.585 4.799 -0.214 1
1 65 . 6 1 1 A 9 9 TYR C C 7 175.532 175.641 -0.109 1
1 66 . 6 1 1 A 9 9 TYR CA C 7 58.335 57.289 1.046 1
1 67 . 6 1 1 A 9 9 TYR CB C 7 39.474 37.804 1.670 1
1 70 . 6 1 1 A 9 9 TYR N N 7 121.884 121.858 0.026 1
1 71 . 6 1 1 A 10 10 ARG H H 8 8.117 8.523 -0.406 1
1 72 . 6 1 1 A 10 10 ARG HA H 8 4.349 4.891 -0.542 1
1 79 . 6 1 1 A 10 10 ARG C C 8 175.898 174.830 1.068 1
1 80 . 6 1 1 A 10 10 ARG CA C 8 56.048 53.948 2.100 1
1 81 . 6 1 1 A 10 10 ARG CB C 8 31.492 33.447 -1.955 1
1 84 . 6 1 1 A 10 10 ARG N N 8 121.977 123.236 -1.259 1
1 85 . 6 1 1 A 11 11 CYS H H 9 8.127 8.701 -0.574 1
1 86 . 6 1 1 A 11 11 CYS HA H 9 5.004 5.003 0.001 1
1 89 . 6 1 1 A 11 11 CYS C C 9 177.771 173.609 4.162 1
1 90 . 6 1 1 A 11 11 CYS CA C 9 53.192 54.885 -1.693 1
1 91 . 6 1 1 A 11 11 CYS CB C 9 40.897 42.583 -1.686 1
1 92 . 6 1 1 A 11 11 CYS N N 9 121.209 120.690 0.519 1
1 93 . 6 1 1 A 12 12 PRO HA H 10 4.340 4.320 0.020 1
1 100 . 6 1 1 A 12 12 PRO CA C 10 65.478 65.870 -0.392 1
1 101 . 6 1 1 A 12 12 PRO CB C 10 32.904 30.983 1.921 1
1 104 . 6 1 1 A 13 13 CYS H H 11 8.662 7.836 0.826 1
1 105 . 6 1 1 A 13 13 CYS C C 11 174.618 173.892 0.726 1
1 106 . 6 1 1 A 13 13 CYS N N 11 114.595 115.449 -0.854 1
1 107 . 6 1 1 A 14 14 ARG H H 12 8.236 8.883 -0.647 1
1 108 . 6 1 1 A 14 14 ARG HA H 12 4.075 4.040 0.035 1
1 115 . 6 1 1 A 14 14 ARG C C 12 175.098 175.063 0.035 1
1 116 . 6 1 1 A 14 14 ARG CA C 12 57.370 57.426 -0.056 1
1 117 . 6 1 1 A 14 14 ARG CB C 12 31.631 31.158 0.473 1
1 120 . 6 1 1 A 14 14 ARG N N 12 122.779 124.452 -1.673 1
1 121 . 6 1 1 A 15 15 PHE H H 13 7.603 7.647 -0.044 1
1 122 . 6 1 1 A 15 15 PHE HA H 13 4.515 5.195 -0.680 1
1 129 . 6 1 1 A 15 15 PHE C C 13 174.162 174.954 -0.792 1
1 130 . 6 1 1 A 15 15 PHE CA C 13 56.289 56.012 0.277 1
1 131 . 6 1 1 A 15 15 PHE CB C 13 41.320 42.877 -1.557 1
1 134 . 6 1 1 A 15 15 PHE N N 13 116.797 114.319 2.478 1
1 135 . 6 1 1 A 16 16 PHE H H 14 8.112 8.498 -0.386 1
1 136 . 6 1 1 A 16 16 PHE HA H 14 4.783 5.745 -0.962 1
1 143 . 6 1 1 A 16 16 PHE C C 14 175.441 173.866 1.575 1
1 144 . 6 1 1 A 16 16 PHE CA C 14 55.767 55.304 0.463 1
1 145 . 6 1 1 A 16 16 PHE CB C 14 41.320 42.638 -1.318 1
1 148 . 6 1 1 A 16 16 PHE N N 14 118.930 117.688 1.242 1
1 149 . 6 1 1 A 17 17 GLU H H 15 8.820 9.526 -0.706 1
1 150 . 6 1 1 A 17 17 GLU HA H 15 4.616 4.655 -0.039 1
1 155 . 6 1 1 A 17 17 GLU C C 15 176.857 176.745 0.112 1
1 156 . 6 1 1 A 17 17 GLU CA C 15 56.289 56.966 -0.677 1
1 157 . 6 1 1 A 17 17 GLU CB C 15 31.173 30.602 0.571 1
1 159 . 6 1 1 A 17 17 GLU N N 15 122.825 120.848 1.977 1
1 160 . 6 1 1 A 18 18 SER H H 16 8.746 8.742 0.004 1
1 161 . 6 1 1 A 18 18 SER HA H 16 4.759 5.099 -0.340 1
1 164 . 6 1 1 A 18 18 SER C C 16 177.497 174.501 2.996 1
1 165 . 6 1 1 A 18 18 SER CA C 16 59.328 56.440 2.888 1
1 166 . 6 1 1 A 18 18 SER CB C 16 64.515 65.443 -0.928 1
1 167 . 6 1 1 A 18 18 SER N N 16 118.860 114.904 3.956 1
1 168 . 6 1 1 A 19 19 HIS H H 17 8.761 9.553 -0.792 1
1 169 . 6 1 1 A 19 19 HIS HA H 17 4.859 4.382 0.477 1
1 174 . 6 1 1 A 19 19 HIS C C 17 174.618 174.743 -0.125 1
1 175 . 6 1 1 A 19 19 HIS CA C 17 56.449 58.940 -2.491 1
1 176 . 6 1 1 A 19 19 HIS CB C 17 29.870 28.322 1.548 1
1 179 . 6 1 1 A 19 19 HIS N N 17 120.535 117.420 3.115 1
1 180 . 6 1 1 A 20 20 VAL H H 18 7.211 8.264 -1.053 1
1 181 . 6 1 1 A 20 20 VAL HA H 18 4.160 4.226 -0.066 1
1 189 . 6 1 1 A 20 20 VAL C C 18 174.436 174.971 -0.535 1
1 190 . 6 1 1 A 20 20 VAL CA C 18 62.167 63.898 -1.731 1
1 191 . 6 1 1 A 20 20 VAL CB C 18 34.426 30.965 3.461 1
1 193 . 6 1 1 A 20 20 VAL N N 18 120.872 116.715 4.157 1
1 194 . 6 1 1 A 21 21 ALA H H 19 8.535 8.553 -0.018 1
1 195 . 6 1 1 A 21 21 ALA HA H 19 4.402 4.204 0.198 1
1 199 . 6 1 1 A 21 21 ALA C C 19 177.657 178.005 -0.348 1
1 200 . 6 1 1 A 21 21 ALA CA C 19 51.193 51.803 -0.610 1
1 201 . 6 1 1 A 21 21 ALA CB C 19 19.790 18.729 1.061 1
1 202 . 6 1 1 A 21 21 ALA N N 19 131.339 128.410 2.929 1
1 203 . 6 1 1 A 22 22 ARG H H 20 7.815 8.222 -0.407 1
1 204 . 6 1 1 A 22 22 ARG HA H 20 2.495 3.048 -0.553 1
1 211 . 6 1 1 A 22 22 ARG C C 20 178.365 177.086 1.279 1
1 212 . 6 1 1 A 22 22 ARG CA C 20 59.379 57.678 1.701 1
1 213 . 6 1 1 A 22 22 ARG CB C 20 29.572 29.365 0.207 1
1 216 . 6 1 1 A 22 22 ARG N N 20 124.365 124.561 -0.196 1
1 217 . 6 1 1 A 23 23 ALA H H 21 8.135 7.432 0.703 1
1 218 . 6 1 1 A 23 23 ALA HA H 21 4.070 4.104 -0.034 1
1 222 . 6 1 1 A 23 23 ALA C C 21 178.000 177.919 0.081 1
1 223 . 6 1 1 A 23 23 ALA CA C 21 54.100 53.113 0.987 1
1 224 . 6 1 1 A 23 23 ALA CB C 21 18.713 18.682 0.031 1
1 225 . 6 1 1 A 23 23 ALA N N 21 117.156 121.125 -3.969 1
1 226 . 6 1 1 A 24 24 ASN H H 22 7.712 7.782 -0.070 1
1 227 . 6 1 1 A 24 24 ASN HA H 22 5.008 4.804 0.204 1
1 232 . 6 1 1 A 24 24 ASN C C 22 174.938 174.865 0.073 1
1 233 . 6 1 1 A 24 24 ASN CA C 22 52.869 52.398 0.471 1
1 234 . 6 1 1 A 24 24 ASN CB C 22 40.573 38.813 1.760 1
1 235 . 6 1 1 A 24 24 ASN N N 22 112.819 115.200 -2.381 1
1 237 . 6 1 1 A 25 25 VAL H H 23 7.508 7.379 0.129 1
1 238 . 6 1 1 A 25 25 VAL HA H 23 4.896 4.330 0.566 1
1 246 . 6 1 1 A 25 25 VAL C C 23 175.829 175.141 0.688 1
1 247 . 6 1 1 A 25 25 VAL CA C 23 59.870 60.329 -0.459 1
1 248 . 6 1 1 A 25 25 VAL CB C 23 35.396 33.651 1.745 1
1 251 . 6 1 1 A 25 25 VAL N N 23 119.721 120.039 -0.318 1
1 252 . 6 1 1 A 26 26 LYS H H 24 9.483 9.005 0.478 1
1 253 . 6 1 1 A 26 26 LYS HA H 24 4.350 4.395 -0.045 1
1 262 . 6 1 1 A 26 26 LYS C C 24 176.606 176.394 0.212 1
1 263 . 6 1 1 A 26 26 LYS CA C 24 58.977 56.859 2.118 1
1 264 . 6 1 1 A 26 26 LYS CB C 24 34.567 33.363 1.204 1
1 268 . 6 1 1 A 26 26 LYS N N 24 128.029 127.130 0.899 1
1 269 . 6 1 1 A 27 27 HIS H H 25 7.223 7.730 -0.507 1
1 270 . 6 1 1 A 27 27 HIS HA H 25 4.979 4.892 0.087 1
1 275 . 6 1 1 A 27 27 HIS C C 25 178.434 172.606 5.828 1
1 276 . 6 1 1 A 27 27 HIS CA C 25 55.406 54.711 0.695 1
1 277 . 6 1 1 A 27 27 HIS CB C 25 32.904 30.994 1.910 1
1 280 . 6 1 1 A 27 27 HIS N N 25 109.556 114.064 -4.508 1
1 281 . 6 1 1 A 28 28 LEU H H 26 8.149 8.800 -0.651 1
1 282 . 6 1 1 A 28 28 LEU HA H 26 5.190 5.299 -0.109 1
1 292 . 6 1 1 A 28 28 LEU C C 26 175.510 175.099 0.411 1
1 293 . 6 1 1 A 28 28 LEU CA C 26 53.480 53.219 0.261 1
1 294 . 6 1 1 A 28 28 LEU CB C 26 45.235 44.782 0.453 1
1 298 . 6 1 1 A 28 28 LEU N N 26 117.106 120.005 -2.899 1
1 299 . 6 1 1 A 29 29 LYS H H 27 9.578 9.330 0.248 1
1 300 . 6 1 1 A 29 29 LYS HA H 27 5.385 4.917 0.468 1
1 309 . 6 1 1 A 29 29 LYS C C 27 174.801 174.837 -0.036 1
1 310 . 6 1 1 A 29 29 LYS CA C 27 55.165 54.635 0.530 1
1 311 . 6 1 1 A 29 29 LYS CB C 27 35.253 34.784 0.469 1
1 315 . 6 1 1 A 29 29 LYS N N 27 123.488 124.435 -0.947 1
1 316 . 6 1 1 A 30 30 ILE H H 28 9.133 9.028 0.105 1
1 317 . 6 1 1 A 30 30 ILE HA H 28 4.925 4.886 0.039 1
1 327 . 6 1 1 A 30 30 ILE C C 28 176.949 175.306 1.643 1
1 328 . 6 1 1 A 30 30 ILE CA C 28 60.542 59.708 0.834 1
1 329 . 6 1 1 A 30 30 ILE CB C 28 39.600 39.649 -0.049 1
1 333 . 6 1 1 A 30 30 ILE N N 28 123.846 127.704 -3.858 1
1 334 . 6 1 1 A 31 31 LEU H H 29 8.830 9.629 -0.799 1
1 335 . 6 1 1 A 31 31 LEU HA H 29 4.533 4.920 -0.387 1
1 344 . 6 1 1 A 31 31 LEU C C 29 176.012 174.832 1.180 1
1 345 . 6 1 1 A 31 31 LEU CA C 29 55.406 53.830 1.576 1
1 346 . 6 1 1 A 31 31 LEU CB C 29 43.180 43.990 -0.810 1
1 349 . 6 1 1 A 31 31 LEU N N 29 128.649 126.461 2.188 1
1 350 . 6 1 1 A 32 32 ASN H H 30 8.211 9.028 -0.817 1
1 351 . 6 1 1 A 32 32 ASN HA H 30 5.014 5.226 -0.212 1
1 356 . 6 1 1 A 32 32 ASN C C 30 174.664 174.440 0.224 1
1 357 . 6 1 1 A 32 32 ASN CA C 30 52.517 51.938 0.579 1
1 358 . 6 1 1 A 32 32 ASN CB C 30 38.776 39.651 -0.875 1
1 359 . 6 1 1 A 32 32 ASN N N 30 120.791 123.610 -2.819 1
1 361 . 6 1 1 A 33 33 THR H H 31 7.896 8.036 -0.140 1
1 362 . 6 1 1 A 33 33 THR HA H 31 4.842 4.935 -0.093 1
1 367 . 6 1 1 A 33 33 THR CA C 31 58.369 58.946 -0.577 1
1 368 . 6 1 1 A 33 33 THR CB C 31 70.011 69.987 0.024 1
1 370 . 6 1 1 A 33 33 THR N N 31 115.811 117.910 -2.099 1
1 371 . 6 1 1 A 34 34 PRO HA H 32 4.317 4.525 -0.208 1
1 378 . 6 1 1 A 34 34 PRO CA C 32 65.164 64.775 0.389 1
1 379 . 6 1 1 A 34 34 PRO CB C 32 32.484 32.150 0.334 1
1 382 . 6 1 1 A 35 35 ASN H H 33 8.256 8.346 -0.090 1
1 383 . 6 1 1 A 35 35 ASN HA H 33 4.651 4.522 0.129 1
1 388 . 6 1 1 A 35 35 ASN C C 33 174.710 174.781 -0.071 1
1 389 . 6 1 1 A 35 35 ASN CA C 33 54.532 55.086 -0.554 1
1 390 . 6 1 1 A 35 35 ASN CB C 33 39.167 38.672 0.495 1
1 391 . 6 1 1 A 35 35 ASN N N 33 120.081 114.284 5.797 1
1 393 . 6 1 1 A 36 36 CYS H H 34 7.548 7.591 -0.043 1
1 394 . 6 1 1 A 36 36 CYS HA H 34 4.693 4.922 -0.229 1
1 397 . 6 1 1 A 36 36 CYS C C 34 173.865 173.340 0.525 1
1 398 . 6 1 1 A 36 36 CYS CA C 34 55.447 54.756 0.691 1
1 399 . 6 1 1 A 36 36 CYS CB C 34 45.228 47.383 -2.155 1
1 400 . 6 1 1 A 36 36 CYS N N 34 117.076 116.067 1.009 1
1 401 . 6 1 1 A 37 37 ALA H H 35 8.469 8.477 -0.008 1
1 402 . 6 1 1 A 37 37 ALA HA H 35 4.252 4.378 -0.126 1
1 406 . 6 1 1 A 37 37 ALA C C 35 176.423 176.999 -0.576 1
1 407 . 6 1 1 A 37 37 ALA CA C 35 53.537 51.762 1.775 1
1 408 . 6 1 1 A 37 37 ALA CB C 35 19.202 20.070 -0.868 1
1 409 . 6 1 1 A 37 37 ALA N N 35 125.153 124.835 0.318 1
1 410 . 6 1 1 A 38 38 CYS H H 36 8.315 8.409 -0.094 1
1 411 . 6 1 1 A 38 38 CYS HA H 36 4.211 4.820 -0.609 1
1 414 . 6 1 1 A 38 38 CYS C C 36 173.705 174.563 -0.858 1
1 415 . 6 1 1 A 38 38 CYS CA C 36 58.616 58.033 0.583 1
1 416 . 6 1 1 A 38 38 CYS CB C 36 45.705 28.629 17.076 1
1 417 . 6 1 1 A 38 38 CYS N N 36 118.837 117.875 0.962 1
1 418 . 6 1 1 A 39 39 GLN H H 37 8.926 9.070 -0.144 1
1 419 . 6 1 1 A 39 39 GLN HA H 37 4.609 5.105 -0.496 1
1 426 . 6 1 1 A 39 39 GLN C C 37 173.636 174.461 -0.825 1
1 427 . 6 1 1 A 39 39 GLN CA C 37 54.603 54.337 0.266 1
1 428 . 6 1 1 A 39 39 GLN CB C 37 31.761 32.565 -0.804 1
1 430 . 6 1 1 A 39 39 GLN N N 37 128.567 124.753 3.814 1
1 432 . 6 1 1 A 40 40 ILE H H 38 8.874 8.487 0.387 1
1 433 . 6 1 1 A 40 40 ILE HA H 38 5.093 5.399 -0.306 1
1 443 . 6 1 1 A 40 40 ILE C C 38 174.390 174.622 -0.232 1
1 444 . 6 1 1 A 40 40 ILE CA C 38 60.582 59.881 0.701 1
1 445 . 6 1 1 A 40 40 ILE CB C 38 40.048 41.714 -1.666 1
1 449 . 6 1 1 A 40 40 ILE N N 38 123.962 122.135 1.827 1
1 450 . 6 1 1 A 41 41 VAL H H 39 9.120 9.489 -0.369 1
1 451 . 6 1 1 A 41 41 VAL HA H 39 4.905 4.807 0.098 1
1 459 . 6 1 1 A 41 41 VAL C C 39 175.487 174.515 0.972 1
1 460 . 6 1 1 A 41 41 VAL CA C 39 59.980 61.272 -1.292 1
1 461 . 6 1 1 A 41 41 VAL CB C 39 35.868 33.340 2.528 1
1 464 . 6 1 1 A 41 41 VAL N N 39 126.354 127.699 -1.345 1
1 465 . 6 1 1 A 42 42 ALA H H 40 9.513 9.566 -0.053 1
1 466 . 6 1 1 A 42 42 ALA HA H 40 5.154 5.588 -0.434 1
1 470 . 6 1 1 A 42 42 ALA C C 40 175.944 175.450 0.494 1
1 471 . 6 1 1 A 42 42 ALA CA C 40 50.591 50.047 0.544 1
1 472 . 6 1 1 A 42 42 ALA CB C 40 22.432 21.538 0.894 1
1 473 . 6 1 1 A 42 42 ALA N N 40 128.406 129.668 -1.262 1
1 474 . 6 1 1 A 43 43 ARG H H 41 7.706 8.642 -0.936 1
1 475 . 6 1 1 A 43 43 ARG HA H 41 4.978 4.770 0.208 1
1 482 . 6 1 1 A 43 43 ARG C C 41 175.510 175.608 -0.098 1
1 483 . 6 1 1 A 43 43 ARG CA C 41 54.162 55.098 -0.936 1
1 484 . 6 1 1 A 43 43 ARG CB C 41 31.200 31.805 -0.605 1
1 487 . 6 1 1 A 43 43 ARG N N 41 121.663 124.080 -2.417 1
1 488 . 6 1 1 A 44 44 LEU H H 42 9.164 8.227 0.937 1
1 489 . 6 1 1 A 44 44 LEU HA H 42 5.023 4.573 0.450 1
1 499 . 6 1 1 A 44 44 LEU C C 42 177.840 177.852 -0.012 1
1 500 . 6 1 1 A 44 44 LEU CA C 42 54.724 55.621 -0.897 1
1 501 . 6 1 1 A 44 44 LEU CB C 42 41.712 41.821 -0.109 1
1 505 . 6 1 1 A 44 44 LEU N N 42 129.087 128.218 0.869 1
1 506 . 6 1 1 A 45 45 LYS H H 43 8.414 9.110 -0.696 1
1 507 . 6 1 1 A 45 45 LYS HA H 43 3.954 3.926 0.028 1
1 516 . 6 1 1 A 45 45 LYS CA C 43 59.016 59.908 -0.892 1
1 517 . 6 1 1 A 45 45 LYS CB C 43 34.102 32.281 1.821 1
1 520 . 6 1 1 A 45 45 LYS N N 43 119.674 122.320 -2.646 1
1 521 . 6 1 1 A 48 48 ASN HA H 46 4.723 4.281 0.442 1
1 526 . 6 1 1 A 48 48 ASN C C 46 175.098 174.488 0.610 1
1 527 . 6 1 1 A 48 48 ASN CA C 46 54.764 55.749 -0.985 1
1 528 . 6 1 1 A 48 48 ASN CB C 46 39.265 36.948 2.317 1
1 530 . 6 1 1 A 49 49 ARG H H 47 7.914 8.129 -0.215 1
1 531 . 6 1 1 A 49 49 ARG HA H 47 4.352 4.811 -0.459 1
1 538 . 6 1 1 A 49 49 ARG C C 47 175.601 175.156 0.445 1
1 539 . 6 1 1 A 49 49 ARG CA C 47 57.051 54.084 2.967 1
1 540 . 6 1 1 A 49 49 ARG CB C 47 32.121 32.108 0.013 1
1 543 . 6 1 1 A 49 49 ARG N N 47 119.826 113.983 5.843 1
1 544 . 6 1 1 A 50 50 GLN H H 48 8.542 8.570 -0.028 1
1 545 . 6 1 1 A 50 50 GLN HA H 48 5.495 5.084 0.411 1
1 552 . 6 1 1 A 50 50 GLN C C 48 175.578 175.134 0.444 1
1 553 . 6 1 1 A 50 50 GLN CA C 48 55.125 54.654 0.471 1
1 554 . 6 1 1 A 50 50 GLN CB C 48 32.121 31.273 0.848 1
1 556 . 6 1 1 A 50 50 GLN N N 48 120.767 116.378 4.389 1
1 558 . 6 1 1 A 51 51 VAL H H 49 8.649 9.354 -0.705 1
1 559 . 6 1 1 A 51 51 VAL HA H 49 4.833 4.899 -0.066 1
1 567 . 6 1 1 A 51 51 VAL C C 49 175.258 174.195 1.063 1
1 568 . 6 1 1 A 51 51 VAL CA C 49 59.338 59.539 -0.201 1
1 569 . 6 1 1 A 51 51 VAL CB C 49 36.155 34.499 1.656 1
1 572 . 6 1 1 A 51 51 VAL N N 49 116.678 117.126 -0.448 1
1 573 . 6 1 1 A 52 52 CYS H H 50 9.099 8.731 0.368 1
1 574 . 6 1 1 A 52 52 CYS HA H 50 5.308 5.423 -0.115 1
1 577 . 6 1 1 A 52 52 CYS C C 50 174.527 173.100 1.427 1
1 578 . 6 1 1 A 52 52 CYS CA C 50 58.054 54.554 3.500 1
1 579 . 6 1 1 A 52 52 CYS CB C 50 43.375 43.558 -0.183 1
1 580 . 6 1 1 A 52 52 CYS N N 50 124.549 119.747 4.802 1
1 581 . 6 1 1 A 53 53 ILE H H 51 8.479 9.894 -1.415 1
1 582 . 6 1 1 A 53 53 ILE HA H 51 4.974 4.629 0.345 1
1 592 . 6 1 1 A 53 53 ILE C C 51 173.019 174.946 -1.927 1
1 593 . 6 1 1 A 53 53 ILE CA C 51 58.897 59.979 -1.082 1
1 594 . 6 1 1 A 53 53 ILE CB C 51 42.201 40.883 1.318 1
1 598 . 6 1 1 A 53 53 ILE N N 51 122.581 125.865 -3.284 1
1 599 . 6 1 1 A 54 54 ASP H H 52 7.642 7.960 -0.318 1
1 600 . 6 1 1 A 54 54 ASP HA H 52 3.619 4.175 -0.556 1
1 603 . 6 1 1 A 54 54 ASP CA C 52 51.574 51.499 0.075 1
1 604 . 6 1 1 A 54 54 ASP CB C 52 42.515 41.674 0.841 1
1 605 . 6 1 1 A 54 54 ASP N N 52 125.772 126.239 -0.467 1
1 606 . 6 1 1 A 55 55 PRO HA H 53 4.023 4.315 -0.292 1
1 613 . 6 1 1 A 55 55 PRO C C 53 176.126 176.349 -0.223 1
1 614 . 6 1 1 A 55 55 PRO CA C 53 63.993 63.780 0.213 1
1 615 . 6 1 1 A 55 55 PRO CB C 53 33.002 32.182 0.820 1
1 618 . 6 1 1 A 56 56 LYS H H 54 7.930 7.471 0.459 1
1 619 . 6 1 1 A 56 56 LYS HA H 54 4.000 4.381 -0.381 1
1 628 . 6 1 1 A 56 56 LYS C C 54 177.931 176.342 1.589 1
1 629 . 6 1 1 A 56 56 LYS CA C 54 56.770 56.003 0.767 1
1 630 . 6 1 1 A 56 56 LYS CB C 54 32.023 33.043 -1.020 1
1 634 . 6 1 1 A 56 56 LYS N N 54 112.924 118.148 -5.224 1
1 635 . 6 1 1 A 57 57 LEU H H 55 7.161 6.965 0.196 1
1 636 . 6 1 1 A 57 57 LEU HA H 55 4.065 4.174 -0.109 1
1 646 . 6 1 1 A 57 57 LEU C C 55 179.416 177.755 1.661 1
1 647 . 6 1 1 A 57 57 LEU CA C 55 56.088 55.168 0.920 1
1 648 . 6 1 1 A 57 57 LEU CB C 55 42.397 41.621 0.776 1
1 652 . 6 1 1 A 57 57 LEU N N 55 120.593 121.752 -1.159 1
1 653 . 6 1 1 A 58 58 LYS H H 56 8.716 9.065 -0.349 1
1 654 . 6 1 1 A 58 58 LYS HA H 56 3.937 3.887 0.050 1
1 663 . 6 1 1 A 58 58 LYS C C 56 178.937 178.031 0.906 1
1 664 . 6 1 1 A 58 58 LYS CA C 56 60.301 59.894 0.407 1
1 665 . 6 1 1 A 58 58 LYS CB C 56 32.121 32.413 -0.292 1
1 669 . 6 1 1 A 58 58 LYS N N 56 125.479 124.939 0.540 1
1 670 . 6 1 1 A 59 59 TRP H H 57 7.827 8.409 -0.582 1
1 671 . 6 1 1 A 59 59 TRP HA H 57 4.664 4.502 0.162 1
1 680 . 6 1 1 A 59 59 TRP C C 57 178.868 179.345 -0.477 1
1 681 . 6 1 1 A 59 59 TRP CA C 57 58.897 59.934 -1.037 1
1 682 . 6 1 1 A 59 59 TRP CB C 57 28.036 28.065 -0.029 1
1 688 . 6 1 1 A 59 59 TRP N N 57 113.433 118.987 -5.554 1
1 690 . 6 1 1 A 60 60 ILE H H 58 6.458 7.520 -1.062 1
1 691 . 6 1 1 A 60 60 ILE HA H 58 3.325 3.386 -0.061 1
1 701 . 6 1 1 A 60 60 ILE C C 58 177.726 177.786 -0.060 1
1 702 . 6 1 1 A 60 60 ILE CA C 58 64.314 64.774 -0.460 1
1 703 . 6 1 1 A 60 60 ILE CB C 58 35.897 36.941 -1.044 1
1 707 . 6 1 1 A 60 60 ILE N N 58 124.379 122.465 1.914 1
1 708 . 6 1 1 A 61 61 GLN H H 59 7.622 8.637 -1.015 1
1 709 . 6 1 1 A 61 61 GLN HA H 59 3.763 3.882 -0.119 1
1 716 . 6 1 1 A 61 61 GLN C C 59 178.434 178.763 -0.329 1
1 717 . 6 1 1 A 61 61 GLN CA C 59 59.379 59.415 -0.036 1
1 718 . 6 1 1 A 61 61 GLN CB C 59 28.602 28.261 0.341 1
1 720 . 6 1 1 A 61 61 GLN N N 59 119.070 118.343 0.727 1
1 722 . 6 1 1 A 62 62 GLU H H 60 8.064 8.278 -0.214 1
1 723 . 6 1 1 A 62 62 GLU HA H 60 4.093 4.118 -0.025 1
1 728 . 6 1 1 A 62 62 GLU C C 60 179.051 178.608 0.443 1
1 729 . 6 1 1 A 62 62 GLU CA C 60 59.659 59.015 0.644 1
1 730 . 6 1 1 A 62 62 GLU CB C 60 30.457 29.615 0.842 1
1 732 . 6 1 1 A 62 62 GLU N N 60 117.166 119.701 -2.535 1
1 733 . 6 1 1 A 63 63 TYR H H 61 7.913 8.136 -0.223 1
1 734 . 6 1 1 A 63 63 TYR HA H 61 4.265 4.213 0.052 1
1 741 . 6 1 1 A 63 63 TYR C C 61 178.617 177.402 1.215 1
1 742 . 6 1 1 A 63 63 TYR CA C 61 61.184 61.559 -0.375 1
1 743 . 6 1 1 A 63 63 TYR CB C 61 39.461 38.572 0.889 1
1 746 . 6 1 1 A 63 63 TYR N N 61 121.271 123.526 -2.255 1
1 747 . 6 1 1 A 64 64 LEU H H 62 8.252 9.030 -0.778 1
1 748 . 6 1 1 A 64 64 LEU HA H 62 3.977 3.951 0.026 1
1 758 . 6 1 1 A 64 64 LEU C C 62 179.553 179.395 0.158 1
1 759 . 6 1 1 A 64 64 LEU CA C 62 58.014 58.241 -0.227 1
1 760 . 6 1 1 A 64 64 LEU CB C 62 42.397 41.594 0.803 1
1 764 . 6 1 1 A 64 64 LEU N N 62 116.299 120.233 -3.934 1
1 765 . 6 1 1 A 65 65 GLU H H 63 8.453 8.428 0.025 1
1 766 . 6 1 1 A 65 65 GLU HA H 63 3.853 3.929 -0.076 1
1 771 . 6 1 1 A 65 65 GLU C C 63 179.279 179.359 -0.080 1
1 772 . 6 1 1 A 65 65 GLU CA C 63 60.301 59.588 0.713 1
1 773 . 6 1 1 A 65 65 GLU CB C 63 29.870 29.249 0.621 1
1 775 . 6 1 1 A 65 65 GLU N N 63 118.616 117.582 1.034 1
1 776 . 6 1 1 A 66 66 LYS H H 64 7.571 8.204 -0.633 1
1 777 . 6 1 1 A 66 66 LYS HA H 64 4.225 4.035 0.190 1
1 786 . 6 1 1 A 66 66 LYS C C 64 178.457 178.503 -0.046 1
1 787 . 6 1 1 A 66 66 LYS CA C 64 58.496 59.151 -0.655 1
1 788 . 6 1 1 A 66 66 LYS CB C 64 32.400 31.793 0.607 1
1 792 . 6 1 1 A 66 66 LYS N N 64 117.166 118.379 -1.213 1
1 793 . 6 1 1 A 67 67 CYS H H 65 7.916 7.617 0.299 1
1 794 . 6 1 1 A 67 67 CYS HA H 65 4.561 4.145 0.416 1
1 797 . 6 1 1 A 67 67 CYS C C 65 174.893 177.634 -2.741 1
1 798 . 6 1 1 A 67 67 CYS CA C 65 56.329 61.866 -5.537 1
1 799 . 6 1 1 A 67 67 CYS CB C 65 45.235 27.078 18.157 1
1 800 . 6 1 1 A 67 67 CYS N N 65 115.312 118.538 -3.226 1
1 801 . 6 1 1 A 68 68 LEU H H 66 7.556 8.187 -0.631 1
1 802 . 6 1 1 A 68 68 LEU HA H 66 4.520 4.074 0.446 1
1 812 . 6 1 1 A 68 68 LEU C C 66 176.812 178.006 -1.194 1
1 813 . 6 1 1 A 68 68 LEU CA C 66 55.366 57.287 -1.921 1
1 814 . 6 1 1 A 68 68 LEU CB C 66 43.278 41.142 2.136 1
1 818 . 6 1 1 A 68 68 LEU N N 66 120.930 123.046 -2.116 1
1 819 . 6 1 1 A 69 69 ASN H H 67 8.266 7.284 0.982 1
1 820 . 6 1 1 A 69 69 ASN HA H 67 4.681 4.643 0.038 1
1 825 . 6 1 1 A 69 69 ASN CA C 67 53.761 55.225 -1.464 1
1 826 . 6 1 1 A 69 69 ASN CB C 67 39.069 39.525 -0.456 1
1 827 . 6 1 1 A 69 69 ASN N N 67 120.279 117.218 3.061 1
1 852 . 6 2 2 B 4 4 GLU H H 102 8.376 8.925 -0.549 1
1 853 . 6 2 2 B 4 4 GLU HA H 102 4.335 4.558 -0.223 1
1 858 . 6 2 2 B 4 4 GLU C C 102 177.132 177.352 -0.220 1
1 859 . 6 2 2 B 4 4 GLU CA C 102 57.410 56.446 0.964 1
1 861 . 6 2 2 B 4 4 GLU N N 102 121.884 125.320 -3.436 1
1 862 . 6 2 2 B 5 5 GLY H H 103 8.380 7.981 0.399 1
1 863 . 6 2 2 B 5 5 GLY HA2 H 103 4.003 3.994 0.009 1
1 864 . 6 2 2 B 5 5 GLY HA3 H 103 4.003 3.997 0.006 1
1 865 . 6 2 2 B 5 5 GLY C C 103 174.207 173.573 0.634 1
1 866 . 6 2 2 B 5 5 GLY CA C 103 45.750 46.493 -0.743 1
1 867 . 6 2 2 B 5 5 GLY N N 103 110.055 106.508 3.547 1
1 868 . 6 2 2 B 6 6 ILE H H 104 7.851 8.422 -0.571 1
1 869 . 6 2 2 B 6 6 ILE HA H 104 4.305 4.785 -0.480 1
1 879 . 6 2 2 B 6 6 ILE C C 104 176.401 174.826 1.575 1
1 880 . 6 2 2 B 6 6 ILE CA C 104 61.558 60.553 1.005 1
1 881 . 6 2 2 B 6 6 ILE CB C 104 39.436 39.427 0.009 1
1 885 . 6 2 2 B 6 6 ILE N N 104 119.606 125.438 -5.832 1
1 886 . 6 2 2 B 7 7 SER H H 105 8.369 8.826 -0.457 1
1 887 . 6 2 2 B 7 7 SER HA H 105 4.564 4.912 -0.348 1
1 890 . 6 2 2 B 7 7 SER C C 105 174.550 173.466 1.084 1
1 891 . 6 2 2 B 7 7 SER CA C 105 58.667 58.106 0.561 1
1 892 . 6 2 2 B 7 7 SER CB C 105 64.072 63.695 0.377 1
1 893 . 6 2 2 B 7 7 SER N N 105 119.853 124.361 -4.508 1
1 894 . 6 2 2 B 8 8 ILE H H 106 7.953 8.195 -0.242 1
1 895 . 6 2 2 B 8 8 ILE HA H 106 4.224 4.442 -0.218 1
1 905 . 6 2 2 B 8 8 ILE C C 106 175.921 175.077 0.844 1
1 906 . 6 2 2 B 8 8 ILE CA C 106 61.935 59.474 2.461 1
1 907 . 6 2 2 B 8 8 ILE CB C 106 39.436 40.437 -1.001 1
1 911 . 6 2 2 B 8 8 ILE N N 106 121.730 125.333 -3.603 1
1 912 . 6 2 2 B 9 9 TYR H H 107 8.171 9.098 -0.927 1
1 913 . 6 2 2 B 9 9 TYR HA H 107 4.736 4.202 0.534 1
1 920 . 6 2 2 B 9 9 TYR C C 107 176.058 176.242 -0.184 1
1 921 . 6 2 2 B 9 9 TYR CA C 107 58.165 60.633 -2.468 1
1 922 . 6 2 2 B 9 9 TYR CB C 107 39.436 38.110 1.326 1
1 925 . 6 2 2 B 9 9 TYR N N 107 123.598 126.712 -3.114 1
1 926 . 6 2 2 B 10 10 THR H H 108 7.986 8.153 -0.167 1
1 927 . 6 2 2 B 10 10 THR HA H 108 4.452 4.572 -0.120 1
1 932 . 6 2 2 B 10 10 THR C C 108 174.459 174.228 0.231 1
1 933 . 6 2 2 B 10 10 THR CA C 108 62.061 63.629 -1.568 1
1 934 . 6 2 2 B 10 10 THR CB C 108 70.608 71.224 -0.616 1
1 936 . 6 2 2 B 10 10 THR N N 108 115.642 109.626 6.016 1
1 937 . 6 2 2 B 11 11 SER H H 109 8.193 7.740 0.453 1
1 938 . 6 2 2 B 11 11 SER HA H 109 4.526 4.756 -0.230 1
1 941 . 6 2 2 B 11 11 SER C C 109 174.504 173.278 1.226 1
1 942 . 6 2 2 B 11 11 SER CA C 109 58.919 57.253 1.666 1
1 943 . 6 2 2 B 11 11 SER CB C 109 64.198 66.640 -2.442 1
1 944 . 6 2 2 B 11 11 SER N N 109 117.597 111.538 6.059 1
1 945 . 6 2 2 B 12 12 ASP H H 110 8.351 8.710 -0.359 1
1 946 . 6 2 2 B 12 12 ASP HA H 110 4.650 4.704 -0.054 1
1 949 . 6 2 2 B 12 12 ASP C C 110 176.058 175.551 0.507 1
1 950 . 6 2 2 B 12 12 ASP CA C 110 55.022 54.701 0.321 1
1 951 . 6 2 2 B 12 12 ASP CB C 110 41.825 41.026 0.799 1
1 952 . 6 2 2 B 12 12 ASP N N 110 122.020 122.437 -0.417 1
1 953 . 6 2 2 B 13 13 ASN H H 111 8.230 8.770 -0.540 1
1 954 . 6 2 2 B 13 13 ASN HA H 111 4.745 5.055 -0.310 1
1 957 . 6 2 2 B 13 13 ASN C C 111 175.030 173.764 1.266 1
1 958 . 6 2 2 B 13 13 ASN CA C 111 53.765 52.600 1.165 1
1 959 . 6 2 2 B 13 13 ASN CB C 111 39.562 39.776 -0.214 1
1 960 . 6 2 2 B 13 13 ASN N N 111 118.317 120.873 -2.556 1
1 961 . 6 2 2 B 14 14 TYR H H 112 8.101 7.682 0.419 1
1 962 . 6 2 2 B 14 14 TYR HA H 112 4.645 4.787 -0.142 1
1 969 . 6 2 2 B 14 14 TYR C C 112 176.081 173.768 2.313 1
1 970 . 6 2 2 B 14 14 TYR CA C 112 58.793 57.613 1.180 1
1 971 . 6 2 2 B 14 14 TYR CB C 112 39.436 41.987 -2.551 1
1 974 . 6 2 2 B 14 14 TYR N N 112 121.125 120.282 0.843 1
1 975 . 6 2 2 B 15 15 THR H H 113 7.900 8.214 -0.314 1
1 976 . 6 2 2 B 15 15 THR HA H 113 4.332 4.525 -0.193 1
1 981 . 6 2 2 B 15 15 THR C C 113 174.413 172.603 1.810 1
1 982 . 6 2 2 B 15 15 THR CA C 113 62.187 61.712 0.475 1
1 983 . 6 2 2 B 15 15 THR CB C 113 70.341 70.727 -0.386 1
1 985 . 6 2 2 B 15 15 THR N N 113 116.394 119.995 -3.601 1
1 986 . 6 2 2 B 16 16 GLU H H 114 8.283 8.602 -0.319 1
1 987 . 6 2 2 B 16 16 GLU HA H 114 4.275 4.585 -0.310 1
1 992 . 6 2 2 B 16 16 GLU C C 114 176.766 175.636 1.130 1
1 993 . 6 2 2 B 16 16 GLU CA C 114 57.410 55.971 1.439 1
1 994 . 6 2 2 B 16 16 GLU CB C 114 30.638 30.566 0.072 1
1 996 . 6 2 2 B 16 16 GLU N N 114 123.052 128.046 -4.994 1
1 997 . 6 2 2 B 17 17 GLU H H 115 8.370 8.691 -0.321 1
1 998 . 6 2 2 B 17 17 GLU HA H 115 4.325 4.531 -0.206 1
1 1003 . 6 2 2 B 17 17 GLU C C 115 176.880 175.218 1.662 1
1 1004 . 6 2 2 B 17 17 GLU CA C 115 57.410 55.632 1.778 1
1 1005 . 6 2 2 B 17 17 GLU CB C 115 30.512 29.926 0.586 1
1 1007 . 6 2 2 B 17 17 GLU N N 115 121.688 125.147 -3.459 1
1 1008 . 6 2 2 B 18 18 MET H H 116 8.314 8.452 -0.138 1
1 1009 . 6 2 2 B 18 18 MET HA H 116 4.509 4.914 -0.405 1
1 1014 . 6 2 2 B 18 18 MET C C 116 177.086 174.695 2.391 1
1 1015 . 6 2 2 B 18 18 MET CA C 116 56.279 54.372 1.907 1
1 1016 . 6 2 2 B 18 18 MET CB C 116 33.026 35.816 -2.790 1
1 1017 . 6 2 2 B 18 18 MET N N 116 121.270 125.699 -4.429 1
1 1018 . 6 2 2 B 19 19 GLY H H 117 8.384 8.722 -0.338 1
1 1019 . 6 2 2 B 19 19 GLY HA2 H 117 4.061 4.217 -0.156 1
1 1020 . 6 2 2 B 19 19 GLY HA3 H 117 4.061 4.220 -0.159 1
1 1021 . 6 2 2 B 19 19 GLY C C 117 174.481 172.454 2.027 1
1 1022 . 6 2 2 B 19 19 GLY CA C 117 45.847 45.993 -0.146 1
1 1023 . 6 2 2 B 19 19 GLY N N 117 110.055 112.262 -2.207 1
1 1024 . 6 2 2 B 20 20 SER H H 118 8.250 7.813 0.437 1
1 1025 . 6 2 2 B 20 20 SER HA H 118 4.495 5.189 -0.694 1
1 1028 . 6 2 2 B 20 20 SER C C 118 175.327 172.954 2.373 1
1 1029 . 6 2 2 B 20 20 SER CA C 118 58.919 57.751 1.168 1
1 1030 . 6 2 2 B 20 20 SER CB C 118 64.575 66.518 -1.943 1
1 1031 . 6 2 2 B 20 20 SER N N 118 115.664 115.992 -0.328 1
1 1032 . 6 2 2 B 21 21 GLY H H 119 8.429 8.468 -0.039 1
1 1033 . 6 2 2 B 21 21 GLY HA2 H 119 4.000 4.202 -0.202 1
1 1034 . 6 2 2 B 21 21 GLY HA3 H 119 4.000 4.213 -0.213 1
1 1035 . 6 2 2 B 21 21 GLY C C 119 174.002 172.454 1.548 1
1 1036 . 6 2 2 B 21 21 GLY CA C 119 45.721 45.792 -0.071 1
1 1037 . 6 2 2 B 21 21 GLY N N 119 110.872 110.219 0.653 1
1 1038 . 6 2 2 B 22 22 ASP H H 120 8.127 8.208 -0.081 1
1 1039 . 6 2 2 B 22 22 ASP HA H 120 4.634 5.128 -0.494 1
1 1042 . 6 2 2 B 22 22 ASP C C 120 176.355 175.184 1.171 1
1 1043 . 6 2 2 B 22 22 ASP CA C 120 54.771 54.273 0.498 1
1 1044 . 6 2 2 B 22 22 ASP CB C 120 41.699 44.508 -2.809 1
1 1045 . 6 2 2 B 22 22 ASP N N 120 120.530 122.468 -1.938 1
1 1046 . 6 2 2 B 23 23 TYR H H 121 8.097 8.837 -0.740 1
1 1047 . 6 2 2 B 23 23 TYR HA H 121 4.555 4.712 -0.157 1
1 1054 . 6 2 2 B 23 23 TYR C C 121 176.058 174.515 1.543 1
1 1055 . 6 2 2 B 23 23 TYR CA C 121 58.667 59.147 -0.480 1
1 1056 . 6 2 2 B 23 23 TYR CB C 121 39.311 40.955 -1.644 1
1 1059 . 6 2 2 B 23 23 TYR N N 121 120.584 125.319 -4.735 1
1 1060 . 6 2 2 B 24 24 ASP H H 122 8.224 7.855 0.369 1
1 1061 . 6 2 2 B 24 24 ASP HA H 122 4.621 4.950 -0.329 1
1 1064 . 6 2 2 B 24 24 ASP C C 122 176.835 174.802 2.033 1
1 1065 . 6 2 2 B 24 24 ASP CA C 122 55.022 52.976 2.046 1
1 1066 . 6 2 2 B 24 24 ASP CB C 122 41.825 43.694 -1.869 1
1 1067 . 6 2 2 B 24 24 ASP N N 122 121.815 118.500 3.315 1
1 1068 . 6 2 2 B 25 25 SER H H 123 8.137 8.549 -0.412 1
1 1069 . 6 2 2 B 25 25 SER HA H 123 4.394 4.701 -0.307 1
1 1072 . 6 2 2 B 25 25 SER C C 123 175.075 173.818 1.257 1
1 1073 . 6 2 2 B 25 25 SER CA C 123 59.547 58.333 1.214 1
1 1074 . 6 2 2 B 25 25 SER CB C 123 63.540 64.200 -0.660 1
1 1075 . 6 2 2 B 25 25 SER N N 123 116.405 116.576 -0.171 1
1 1076 . 6 2 2 B 26 26 MET H H 124 8.221 8.608 -0.387 1
1 1077 . 6 2 2 B 26 26 MET HA H 124 4.500 5.353 -0.853 1
1 1082 . 6 2 2 B 26 26 MET C C 124 176.355 174.615 1.740 1
1 1083 . 6 2 2 B 26 26 MET CA C 124 56.279 53.336 2.943 1
1 1084 . 6 2 2 B 26 26 MET CB C 124 32.900 36.516 -3.616 1
1 1086 . 6 2 2 B 26 26 MET N N 124 121.210 117.262 3.948 1
1 1087 . 6 2 2 B 27 27 LYS H H 125 7.991 8.452 -0.461 1
1 1088 . 6 2 2 B 27 27 LYS HA H 125 4.352 5.170 -0.818 1
1 1097 . 6 2 2 B 27 27 LYS C C 125 176.355 175.130 1.225 1
1 1098 . 6 2 2 B 27 27 LYS CA C 125 56.656 54.591 2.065 1
1 1099 . 6 2 2 B 27 27 LYS CB C 125 33.529 37.008 -3.479 1
1 1103 . 6 2 2 B 27 27 LYS N N 125 121.457 118.483 2.974 1
1 1104 . 6 2 2 B 28 28 GLU H H 126 8.216 9.121 -0.905 1
1 1105 . 6 2 2 B 28 28 GLU N N 126 122.890 118.061 4.829 1
1 1106 . 6 2 2 B 29 29 PRO HA H 127 4.396 4.642 -0.246 1
1 1113 . 6 2 2 B 29 29 PRO C C 127 176.812 174.554 2.258 1
1 1114 . 6 2 2 B 29 29 PRO CA C 127 63.821 62.108 1.713 1
1 1115 . 6 2 2 B 29 29 PRO CB C 127 32.272 28.947 3.325 1
1 1118 . 6 2 2 B 30 30 ALA H H 128 8.282 8.225 0.057 1
1 1119 . 6 2 2 B 30 30 ALA HA H 128 4.316 4.732 -0.416 1
1 1123 . 6 2 2 B 30 30 ALA C C 128 177.589 176.568 1.021 1
1 1124 . 6 2 2 B 30 30 ALA CA C 128 53.192 51.058 2.134 1
1 1125 . 6 2 2 B 30 30 ALA CB C 128 19.703 20.112 -0.409 1
1 1126 . 6 2 2 B 30 30 ALA N N 128 123.577 124.651 -1.074 1
1 1127 . 6 2 2 B 31 31 PHE H H 129 8.035 9.021 -0.986 1
1 1128 . 6 2 2 B 31 31 PHE HA H 129 4.637 4.759 -0.122 1
1 1135 . 6 2 2 B 31 31 PHE C C 129 175.624 175.107 0.517 1
1 1136 . 6 2 2 B 31 31 PHE CA C 129 58.039 56.628 1.411 1
1 1137 . 6 2 2 B 31 31 PHE CB C 129 40.065 36.913 3.152 1
1 1140 . 6 2 2 B 31 31 PHE N N 129 118.994 123.176 -4.182 1
1 1141 . 6 2 2 B 32 32 ARG H H 130 8.066 8.076 -0.010 1
1 1142 . 6 2 2 B 32 32 ARG HA H 130 4.351 4.962 -0.611 1
1 1149 . 6 2 2 B 32 32 ARG C C 130 175.875 174.936 0.939 1
1 1150 . 6 2 2 B 32 32 ARG CA C 130 56.154 53.950 2.204 1
1 1151 . 6 2 2 B 32 32 ARG CB C 130 31.643 34.740 -3.097 1
1 1154 . 6 2 2 B 32 32 ARG N N 130 123.094 120.403 2.691 1
1 1155 . 6 2 2 B 33 33 GLU H H 131 8.389 8.536 -0.147 1
1 1156 . 6 2 2 B 33 33 GLU HA H 131 4.295 4.900 -0.605 1
1 1161 . 6 2 2 B 33 33 GLU C C 131 176.766 175.158 1.608 1
1 1162 . 6 2 2 B 33 33 GLU CA C 131 57.285 55.808 1.477 1
1 1163 . 6 2 2 B 33 33 GLU CB C 131 30.512 30.948 -0.436 1
1 1165 . 6 2 2 B 33 33 GLU N N 131 122.719 120.495 2.224 1
1 1166 . 6 2 2 B 34 34 GLU H H 132 8.526 8.810 -0.284 1
1 1167 . 6 2 2 B 34 34 GLU HA H 132 4.321 4.707 -0.386 1
1 1172 . 6 2 2 B 34 34 GLU C C 132 176.560 176.005 0.555 1
1 1173 . 6 2 2 B 34 34 GLU CA C 132 57.400 55.576 1.824 1
1 1174 . 6 2 2 B 34 34 GLU CB C 132 30.512 30.492 0.020 1
1 1176 . 6 2 2 B 34 34 GLU N N 132 122.122 124.957 -2.835 1
1 1177 . 6 2 2 B 35 35 ASN H H 133 8.379 8.638 -0.259 1
1 1178 . 6 2 2 B 35 35 ASN HA H 133 4.712 5.156 -0.444 1
1 1181 . 6 2 2 B 35 35 ASN C C 133 175.258 175.323 -0.065 1
1 1182 . 6 2 2 B 35 35 ASN CA C 133 53.765 52.714 1.051 1
1 1183 . 6 2 2 B 35 35 ASN CB C 133 39.562 38.986 0.576 1
1 1184 . 6 2 2 B 35 35 ASN N N 133 119.552 125.526 -5.974 1
1 1185 . 6 2 2 B 36 36 ALA H H 134 8.175 8.215 -0.040 1
1 1186 . 6 2 2 B 36 36 ALA HA H 134 4.308 4.457 -0.149 1
1 1190 . 6 2 2 B 36 36 ALA C C 134 177.520 176.154 1.366 1
1 1191 . 6 2 2 B 36 36 ALA CA C 134 53.192 51.598 1.594 1
1 1192 . 6 2 2 B 36 36 ALA CB C 134 19.703 17.471 2.232 1
1 1193 . 6 2 2 B 36 36 ALA N N 134 124.376 123.746 0.630 1
1 1194 . 6 2 2 B 37 37 ASN H H 135 8.238 8.370 -0.132 1
1 1195 . 6 2 2 B 37 37 ASN HA H 135 4.713 5.327 -0.614 1
1 1198 . 6 2 2 B 37 37 ASN C C 135 175.144 174.044 1.100 1
1 1199 . 6 2 2 B 37 37 ASN CA C 135 53.640 52.131 1.509 1
1 1200 . 6 2 2 B 37 37 ASN CB C 135 39.311 41.282 -1.971 1
1 1201 . 6 2 2 B 37 37 ASN N N 135 117.103 120.047 -2.944 1
1 1202 . 6 2 2 B 38 38 PHE H H 136 7.997 8.648 -0.651 1
1 1203 . 6 2 2 B 38 38 PHE HA H 136 4.678 4.893 -0.215 1
1 1210 . 6 2 2 B 38 38 PHE C C 136 175.601 173.600 2.001 1
1 1211 . 6 2 2 B 38 38 PHE CA C 136 58.165 57.965 0.200 1
1 1212 . 6 2 2 B 38 38 PHE CB C 136 39.939 40.369 -0.430 1
1 1215 . 6 2 2 B 38 38 PHE N N 136 120.229 126.326 -6.097 1
1 1216 . 6 2 2 B 39 39 ASN H H 137 8.272 8.839 -0.567 1
1 1217 . 6 2 2 B 39 39 ASN HA H 137 4.752 4.812 -0.060 1
1 1220 . 6 2 2 B 39 39 ASN C C 137 174.047 175.286 -1.239 1
1 1221 . 6 2 2 B 39 39 ASN CA C 137 53.891 53.373 0.518 1
1 1222 . 6 2 2 B 39 39 ASN CB C 137 39.688 39.015 0.673 1
1 1223 . 6 2 2 B 39 39 ASN N N 137 120.594 126.907 -6.313 1
1 3 . 7 1 1 A 4 4 PRO HA H 2 4.509 4.762 -0.253 1
1 10 . 7 1 1 A 4 4 PRO C C 2 177.132 176.151 0.981 1
1 11 . 7 1 1 A 4 4 PRO CA C 2 63.529 62.240 1.289 1
1 12 . 7 1 1 A 4 4 PRO CB C 2 32.476 29.698 2.778 1
1 15 . 7 1 1 A 5 5 VAL H H 3 8.201 8.303 -0.102 1
1 16 . 7 1 1 A 5 5 VAL HA H 3 4.152 4.017 0.135 1
1 24 . 7 1 1 A 5 5 VAL C C 3 176.423 177.012 -0.589 1
1 25 . 7 1 1 A 5 5 VAL CA C 3 62.873 63.504 -0.631 1
1 26 . 7 1 1 A 5 5 VAL CB C 3 33.455 32.407 1.048 1
1 28 . 7 1 1 A 5 5 VAL N N 3 120.488 121.592 -1.104 1
1 29 . 7 1 1 A 6 6 SER H H 4 8.276 8.137 0.139 1
1 30 . 7 1 1 A 6 6 SER HA H 4 4.494 4.553 -0.059 1
1 33 . 7 1 1 A 6 6 SER C C 4 174.687 175.823 -1.136 1
1 34 . 7 1 1 A 6 6 SER CA C 4 58.375 58.560 -0.185 1
1 35 . 7 1 1 A 6 6 SER CB C 4 64.295 64.645 -0.350 1
1 36 . 7 1 1 A 6 6 SER N N 4 119.000 111.499 7.501 1
1 37 . 7 1 1 A 7 7 LEU H H 5 8.238 8.081 0.157 1
1 38 . 7 1 1 A 7 7 LEU HA H 5 4.406 3.911 0.495 1
1 44 . 7 1 1 A 7 7 LEU C C 5 177.406 176.218 1.188 1
1 45 . 7 1 1 A 7 7 LEU CA C 5 55.766 57.230 -1.464 1
1 46 . 7 1 1 A 7 7 LEU CB C 5 43.083 40.562 2.521 1
1 48 . 7 1 1 A 7 7 LEU N N 5 124.704 118.127 6.577 1
1 49 . 7 1 1 A 8 8 SER H H 6 8.148 8.126 0.022 1
1 50 . 7 1 1 A 8 8 SER HA H 6 4.438 3.894 0.544 1
1 53 . 7 1 1 A 8 8 SER C C 6 174.321 172.654 1.667 1
1 54 . 7 1 1 A 8 8 SER CA C 6 58.718 60.551 -1.833 1
1 55 . 7 1 1 A 8 8 SER CB C 6 64.295 61.741 2.554 1
1 56 . 7 1 1 A 8 8 SER N N 6 115.960 114.916 1.044 1
1 57 . 7 1 1 A 9 9 TYR H H 7 7.954 8.157 -0.203 1
1 58 . 7 1 1 A 9 9 TYR HA H 7 4.585 5.294 -0.709 1
1 65 . 7 1 1 A 9 9 TYR C C 7 175.532 174.677 0.855 1
1 66 . 7 1 1 A 9 9 TYR CA C 7 58.335 56.693 1.642 1
1 67 . 7 1 1 A 9 9 TYR CB C 7 39.474 40.716 -1.242 1
1 70 . 7 1 1 A 9 9 TYR N N 7 121.884 116.876 5.008 1
1 71 . 7 1 1 A 10 10 ARG H H 8 8.117 8.839 -0.722 1
1 72 . 7 1 1 A 10 10 ARG HA H 8 4.349 5.094 -0.745 1
1 79 . 7 1 1 A 10 10 ARG C C 8 175.898 174.801 1.097 1
1 80 . 7 1 1 A 10 10 ARG CA C 8 56.048 54.301 1.747 1
1 81 . 7 1 1 A 10 10 ARG CB C 8 31.492 33.937 -2.445 1
1 84 . 7 1 1 A 10 10 ARG N N 8 121.977 123.256 -1.279 1
1 85 . 7 1 1 A 11 11 CYS H H 9 8.127 8.397 -0.270 1
1 86 . 7 1 1 A 11 11 CYS HA H 9 5.004 5.058 -0.054 1
1 89 . 7 1 1 A 11 11 CYS C C 9 177.771 174.089 3.682 1
1 90 . 7 1 1 A 11 11 CYS CA C 9 53.192 54.168 -0.976 1
1 91 . 7 1 1 A 11 11 CYS CB C 9 40.897 46.105 -5.208 1
1 92 . 7 1 1 A 11 11 CYS N N 9 121.209 118.521 2.688 1
1 93 . 7 1 1 A 12 12 PRO HA H 10 4.340 4.324 0.016 1
1 100 . 7 1 1 A 12 12 PRO CA C 10 65.478 65.099 0.379 1
1 101 . 7 1 1 A 12 12 PRO CB C 10 32.904 31.455 1.449 1
1 104 . 7 1 1 A 13 13 CYS H H 11 8.662 7.776 0.886 1
1 105 . 7 1 1 A 13 13 CYS C C 11 174.618 174.767 -0.149 1
1 106 . 7 1 1 A 13 13 CYS N N 11 114.595 113.790 0.805 1
1 107 . 7 1 1 A 14 14 ARG H H 12 8.236 8.809 -0.573 1
1 108 . 7 1 1 A 14 14 ARG HA H 12 4.075 4.072 0.003 1
1 115 . 7 1 1 A 14 14 ARG C C 12 175.098 175.269 -0.171 1
1 116 . 7 1 1 A 14 14 ARG CA C 12 57.370 57.840 -0.470 1
1 117 . 7 1 1 A 14 14 ARG CB C 12 31.631 31.119 0.512 1
1 120 . 7 1 1 A 14 14 ARG N N 12 122.779 122.507 0.272 1
1 121 . 7 1 1 A 15 15 PHE H H 13 7.603 7.736 -0.133 1
1 122 . 7 1 1 A 15 15 PHE HA H 13 4.515 5.196 -0.681 1
1 129 . 7 1 1 A 15 15 PHE C C 13 174.162 175.043 -0.881 1
1 130 . 7 1 1 A 15 15 PHE CA C 13 56.289 56.493 -0.204 1
1 131 . 7 1 1 A 15 15 PHE CB C 13 41.320 42.985 -1.665 1
1 134 . 7 1 1 A 15 15 PHE N N 13 116.797 114.708 2.089 1
1 135 . 7 1 1 A 16 16 PHE H H 14 8.112 8.619 -0.507 1
1 136 . 7 1 1 A 16 16 PHE HA H 14 4.783 5.419 -0.636 1
1 143 . 7 1 1 A 16 16 PHE C C 14 175.441 175.476 -0.035 1
1 144 . 7 1 1 A 16 16 PHE CA C 14 55.767 55.490 0.277 1
1 145 . 7 1 1 A 16 16 PHE CB C 14 41.320 41.620 -0.300 1
1 148 . 7 1 1 A 16 16 PHE N N 14 118.930 119.893 -0.963 1
1 149 . 7 1 1 A 17 17 GLU H H 15 8.820 9.339 -0.519 1
1 150 . 7 1 1 A 17 17 GLU HA H 15 4.616 4.434 0.182 1
1 155 . 7 1 1 A 17 17 GLU C C 15 176.857 178.209 -1.352 1
1 156 . 7 1 1 A 17 17 GLU CA C 15 56.289 57.033 -0.744 1
1 157 . 7 1 1 A 17 17 GLU CB C 15 31.173 30.071 1.102 1
1 159 . 7 1 1 A 17 17 GLU N N 15 122.825 121.537 1.288 1
1 160 . 7 1 1 A 18 18 SER H H 16 8.746 9.053 -0.307 1
1 161 . 7 1 1 A 18 18 SER HA H 16 4.759 4.535 0.224 1
1 164 . 7 1 1 A 18 18 SER C C 16 177.497 174.264 3.233 1
1 165 . 7 1 1 A 18 18 SER CA C 16 59.328 59.482 -0.154 1
1 166 . 7 1 1 A 18 18 SER CB C 16 64.515 62.669 1.846 1
1 167 . 7 1 1 A 18 18 SER N N 16 118.860 119.922 -1.062 1
1 168 . 7 1 1 A 19 19 HIS H H 17 8.761 7.823 0.938 1
1 169 . 7 1 1 A 19 19 HIS HA H 17 4.859 4.908 -0.049 1
1 174 . 7 1 1 A 19 19 HIS C C 17 174.618 175.501 -0.883 1
1 175 . 7 1 1 A 19 19 HIS CA C 17 56.449 57.242 -0.793 1
1 176 . 7 1 1 A 19 19 HIS CB C 17 29.870 31.422 -1.552 1
1 179 . 7 1 1 A 19 19 HIS N N 17 120.535 118.120 2.415 1
1 180 . 7 1 1 A 20 20 VAL H H 18 7.211 8.071 -0.860 1
1 181 . 7 1 1 A 20 20 VAL HA H 18 4.160 4.231 -0.071 1
1 189 . 7 1 1 A 20 20 VAL C C 18 174.436 175.470 -1.034 1
1 190 . 7 1 1 A 20 20 VAL CA C 18 62.167 63.377 -1.210 1
1 191 . 7 1 1 A 20 20 VAL CB C 18 34.426 30.993 3.433 1
1 193 . 7 1 1 A 20 20 VAL N N 18 120.872 116.634 4.238 1
1 194 . 7 1 1 A 21 21 ALA H H 19 8.535 8.563 -0.028 1
1 195 . 7 1 1 A 21 21 ALA HA H 19 4.402 4.282 0.120 1
1 199 . 7 1 1 A 21 21 ALA C C 19 177.657 178.331 -0.674 1
1 200 . 7 1 1 A 21 21 ALA CA C 19 51.193 52.678 -1.485 1
1 201 . 7 1 1 A 21 21 ALA CB C 19 19.790 18.995 0.795 1
1 202 . 7 1 1 A 21 21 ALA N N 19 131.339 128.732 2.607 1
1 203 . 7 1 1 A 22 22 ARG H H 20 7.815 8.290 -0.475 1
1 204 . 7 1 1 A 22 22 ARG HA H 20 2.495 3.058 -0.563 1
1 211 . 7 1 1 A 22 22 ARG C C 20 178.365 176.997 1.368 1
1 212 . 7 1 1 A 22 22 ARG CA C 20 59.379 58.019 1.360 1
1 213 . 7 1 1 A 22 22 ARG CB C 20 29.572 29.070 0.502 1
1 216 . 7 1 1 A 22 22 ARG N N 20 124.365 124.146 0.219 1
1 217 . 7 1 1 A 23 23 ALA H H 21 8.135 7.536 0.599 1
1 218 . 7 1 1 A 23 23 ALA HA H 21 4.070 4.083 -0.013 1
1 222 . 7 1 1 A 23 23 ALA C C 21 178.000 178.086 -0.086 1
1 223 . 7 1 1 A 23 23 ALA CA C 21 54.100 53.046 1.054 1
1 224 . 7 1 1 A 23 23 ALA CB C 21 18.713 18.836 -0.123 1
1 225 . 7 1 1 A 23 23 ALA N N 21 117.156 121.033 -3.877 1
1 226 . 7 1 1 A 24 24 ASN H H 22 7.712 7.837 -0.125 1
1 227 . 7 1 1 A 24 24 ASN HA H 22 5.008 4.771 0.237 1
1 232 . 7 1 1 A 24 24 ASN C C 22 174.938 175.012 -0.074 1
1 233 . 7 1 1 A 24 24 ASN CA C 22 52.869 53.214 -0.345 1
1 234 . 7 1 1 A 24 24 ASN CB C 22 40.573 39.067 1.506 1
1 235 . 7 1 1 A 24 24 ASN N N 22 112.819 115.266 -2.447 1
1 237 . 7 1 1 A 25 25 VAL H H 23 7.508 7.444 0.064 1
1 238 . 7 1 1 A 25 25 VAL HA H 23 4.896 4.332 0.564 1
1 246 . 7 1 1 A 25 25 VAL C C 23 175.829 175.462 0.367 1
1 247 . 7 1 1 A 25 25 VAL CA C 23 59.870 60.287 -0.417 1
1 248 . 7 1 1 A 25 25 VAL CB C 23 35.396 33.565 1.831 1
1 251 . 7 1 1 A 25 25 VAL N N 23 119.721 119.432 0.289 1
1 252 . 7 1 1 A 26 26 LYS H H 24 9.483 9.232 0.251 1
1 253 . 7 1 1 A 26 26 LYS HA H 24 4.350 4.344 0.006 1
1 262 . 7 1 1 A 26 26 LYS C C 24 176.606 176.315 0.291 1
1 263 . 7 1 1 A 26 26 LYS CA C 24 58.977 57.187 1.790 1
1 264 . 7 1 1 A 26 26 LYS CB C 24 34.567 32.917 1.650 1
1 268 . 7 1 1 A 26 26 LYS N N 24 128.029 125.676 2.353 1
1 269 . 7 1 1 A 27 27 HIS H H 25 7.223 7.721 -0.498 1
1 270 . 7 1 1 A 27 27 HIS HA H 25 4.979 4.929 0.050 1
1 275 . 7 1 1 A 27 27 HIS C C 25 178.434 172.531 5.903 1
1 276 . 7 1 1 A 27 27 HIS CA C 25 55.406 54.756 0.650 1
1 277 . 7 1 1 A 27 27 HIS CB C 25 32.904 31.043 1.861 1
1 280 . 7 1 1 A 27 27 HIS N N 25 109.556 113.846 -4.290 1
1 281 . 7 1 1 A 28 28 LEU H H 26 8.149 8.738 -0.589 1
1 282 . 7 1 1 A 28 28 LEU HA H 26 5.190 5.255 -0.065 1
1 292 . 7 1 1 A 28 28 LEU C C 26 175.510 175.256 0.254 1
1 293 . 7 1 1 A 28 28 LEU CA C 26 53.480 53.314 0.166 1
1 294 . 7 1 1 A 28 28 LEU CB C 26 45.235 45.306 -0.071 1
1 298 . 7 1 1 A 28 28 LEU N N 26 117.106 119.856 -2.750 1
1 299 . 7 1 1 A 29 29 LYS H H 27 9.578 8.969 0.609 1
1 300 . 7 1 1 A 29 29 LYS HA H 27 5.385 5.120 0.265 1
1 309 . 7 1 1 A 29 29 LYS C C 27 174.801 174.645 0.156 1
1 310 . 7 1 1 A 29 29 LYS CA C 27 55.165 54.635 0.530 1
1 311 . 7 1 1 A 29 29 LYS CB C 27 35.253 35.300 -0.047 1
1 315 . 7 1 1 A 29 29 LYS N N 27 123.488 123.116 0.372 1
1 316 . 7 1 1 A 30 30 ILE H H 28 9.133 9.019 0.114 1
1 317 . 7 1 1 A 30 30 ILE HA H 28 4.925 5.057 -0.132 1
1 327 . 7 1 1 A 30 30 ILE C C 28 176.949 174.751 2.198 1
1 328 . 7 1 1 A 30 30 ILE CA C 28 60.542 59.534 1.008 1
1 329 . 7 1 1 A 30 30 ILE CB C 28 39.600 39.897 -0.297 1
1 333 . 7 1 1 A 30 30 ILE N N 28 123.846 127.961 -4.115 1
1 334 . 7 1 1 A 31 31 LEU H H 29 8.830 9.130 -0.300 1
1 335 . 7 1 1 A 31 31 LEU HA H 29 4.533 5.062 -0.529 1
1 344 . 7 1 1 A 31 31 LEU C C 29 176.012 174.368 1.644 1
1 345 . 7 1 1 A 31 31 LEU CA C 29 55.406 53.276 2.130 1
1 346 . 7 1 1 A 31 31 LEU CB C 29 43.180 45.749 -2.569 1
1 349 . 7 1 1 A 31 31 LEU N N 29 128.649 124.113 4.536 1
1 350 . 7 1 1 A 32 32 ASN H H 30 8.211 8.783 -0.572 1
1 351 . 7 1 1 A 32 32 ASN HA H 30 5.014 5.274 -0.260 1
1 356 . 7 1 1 A 32 32 ASN C C 30 174.664 174.371 0.293 1
1 357 . 7 1 1 A 32 32 ASN CA C 30 52.517 51.854 0.663 1
1 358 . 7 1 1 A 32 32 ASN CB C 30 38.776 40.753 -1.977 1
1 359 . 7 1 1 A 32 32 ASN N N 30 120.791 117.439 3.352 1
1 361 . 7 1 1 A 33 33 THR H H 31 7.896 8.816 -0.920 1
1 362 . 7 1 1 A 33 33 THR HA H 31 4.842 4.722 0.120 1
1 367 . 7 1 1 A 33 33 THR CA C 31 58.369 60.057 -1.688 1
1 368 . 7 1 1 A 33 33 THR CB C 31 70.011 69.042 0.969 1
1 370 . 7 1 1 A 33 33 THR N N 31 115.811 116.809 -0.998 1
1 371 . 7 1 1 A 34 34 PRO HA H 32 4.317 4.401 -0.084 1
1 378 . 7 1 1 A 34 34 PRO CA C 32 65.164 64.798 0.366 1
1 379 . 7 1 1 A 34 34 PRO CB C 32 32.484 31.792 0.692 1
1 382 . 7 1 1 A 35 35 ASN H H 33 8.256 8.198 0.058 1
1 383 . 7 1 1 A 35 35 ASN HA H 33 4.651 5.050 -0.399 1
1 388 . 7 1 1 A 35 35 ASN C C 33 174.710 174.602 0.108 1
1 389 . 7 1 1 A 35 35 ASN CA C 33 54.532 53.334 1.198 1
1 390 . 7 1 1 A 35 35 ASN CB C 33 39.167 39.039 0.128 1
1 391 . 7 1 1 A 35 35 ASN N N 33 120.081 114.615 5.466 1
1 393 . 7 1 1 A 36 36 CYS H H 34 7.548 7.745 -0.197 1
1 394 . 7 1 1 A 36 36 CYS HA H 34 4.693 4.943 -0.250 1
1 397 . 7 1 1 A 36 36 CYS C C 34 173.865 173.423 0.442 1
1 398 . 7 1 1 A 36 36 CYS CA C 34 55.447 54.603 0.844 1
1 399 . 7 1 1 A 36 36 CYS CB C 34 45.228 47.494 -2.266 1
1 400 . 7 1 1 A 36 36 CYS N N 34 117.076 116.188 0.888 1
1 401 . 7 1 1 A 37 37 ALA H H 35 8.469 8.457 0.012 1
1 402 . 7 1 1 A 37 37 ALA HA H 35 4.252 4.309 -0.057 1
1 406 . 7 1 1 A 37 37 ALA C C 35 176.423 177.226 -0.803 1
1 407 . 7 1 1 A 37 37 ALA CA C 35 53.537 51.938 1.599 1
1 408 . 7 1 1 A 37 37 ALA CB C 35 19.202 20.058 -0.856 1
1 409 . 7 1 1 A 37 37 ALA N N 35 125.153 124.954 0.199 1
1 410 . 7 1 1 A 38 38 CYS H H 36 8.315 8.383 -0.068 1
1 411 . 7 1 1 A 38 38 CYS HA H 36 4.211 4.266 -0.055 1
1 414 . 7 1 1 A 38 38 CYS C C 36 173.705 173.835 -0.130 1
1 415 . 7 1 1 A 38 38 CYS CA C 36 58.616 60.010 -1.394 1
1 416 . 7 1 1 A 38 38 CYS CB C 36 45.705 27.844 17.861 1
1 417 . 7 1 1 A 38 38 CYS N N 36 118.837 118.109 0.728 1
1 418 . 7 1 1 A 39 39 GLN H H 37 8.926 8.270 0.656 1
1 419 . 7 1 1 A 39 39 GLN HA H 37 4.609 5.000 -0.391 1
1 426 . 7 1 1 A 39 39 GLN C C 37 173.636 173.986 -0.350 1
1 427 . 7 1 1 A 39 39 GLN CA C 37 54.603 54.266 0.337 1
1 428 . 7 1 1 A 39 39 GLN CB C 37 31.761 32.015 -0.254 1
1 430 . 7 1 1 A 39 39 GLN N N 37 128.567 125.392 3.175 1
1 432 . 7 1 1 A 40 40 ILE H H 38 8.874 8.991 -0.117 1
1 433 . 7 1 1 A 40 40 ILE HA H 38 5.093 5.176 -0.083 1
1 443 . 7 1 1 A 40 40 ILE C C 38 174.390 174.524 -0.134 1
1 444 . 7 1 1 A 40 40 ILE CA C 38 60.582 60.136 0.446 1
1 445 . 7 1 1 A 40 40 ILE CB C 38 40.048 40.864 -0.816 1
1 449 . 7 1 1 A 40 40 ILE N N 38 123.962 126.551 -2.589 1
1 450 . 7 1 1 A 41 41 VAL H H 39 9.120 9.204 -0.084 1
1 451 . 7 1 1 A 41 41 VAL HA H 39 4.905 4.862 0.043 1
1 459 . 7 1 1 A 41 41 VAL C C 39 175.487 175.051 0.436 1
1 460 . 7 1 1 A 41 41 VAL CA C 39 59.980 60.921 -0.941 1
1 461 . 7 1 1 A 41 41 VAL CB C 39 35.868 34.160 1.708 1
1 464 . 7 1 1 A 41 41 VAL N N 39 126.354 128.261 -1.907 1
1 465 . 7 1 1 A 42 42 ALA H H 40 9.513 9.393 0.120 1
1 466 . 7 1 1 A 42 42 ALA HA H 40 5.154 5.376 -0.222 1
1 470 . 7 1 1 A 42 42 ALA C C 40 175.944 175.317 0.627 1
1 471 . 7 1 1 A 42 42 ALA CA C 40 50.591 49.903 0.688 1
1 472 . 7 1 1 A 42 42 ALA CB C 40 22.432 22.614 -0.182 1
1 473 . 7 1 1 A 42 42 ALA N N 40 128.406 129.862 -1.456 1
1 474 . 7 1 1 A 43 43 ARG H H 41 7.706 8.510 -0.804 1
1 475 . 7 1 1 A 43 43 ARG HA H 41 4.978 5.126 -0.148 1
1 482 . 7 1 1 A 43 43 ARG C C 41 175.510 175.709 -0.199 1
1 483 . 7 1 1 A 43 43 ARG CA C 41 54.162 54.402 -0.240 1
1 484 . 7 1 1 A 43 43 ARG CB C 41 31.200 33.676 -2.476 1
1 487 . 7 1 1 A 43 43 ARG N N 41 121.663 122.715 -1.052 1
1 488 . 7 1 1 A 44 44 LEU H H 42 9.164 8.257 0.907 1
1 489 . 7 1 1 A 44 44 LEU HA H 42 5.023 4.473 0.550 1
1 499 . 7 1 1 A 44 44 LEU C C 42 177.840 177.531 0.309 1
1 500 . 7 1 1 A 44 44 LEU CA C 42 54.724 54.675 0.049 1
1 501 . 7 1 1 A 44 44 LEU CB C 42 41.712 42.209 -0.497 1
1 505 . 7 1 1 A 44 44 LEU N N 42 129.087 126.943 2.144 1
1 506 . 7 1 1 A 45 45 LYS H H 43 8.414 8.758 -0.344 1
1 507 . 7 1 1 A 45 45 LYS HA H 43 3.954 3.919 0.035 1
1 516 . 7 1 1 A 45 45 LYS CA C 43 59.016 57.037 1.979 1
1 517 . 7 1 1 A 45 45 LYS CB C 43 34.102 32.783 1.319 1
1 520 . 7 1 1 A 45 45 LYS N N 43 119.674 120.896 -1.222 1
1 521 . 7 1 1 A 48 48 ASN HA H 46 4.723 4.337 0.386 1
1 526 . 7 1 1 A 48 48 ASN C C 46 175.098 174.214 0.884 1
1 527 . 7 1 1 A 48 48 ASN CA C 46 54.764 55.526 -0.762 1
1 528 . 7 1 1 A 48 48 ASN CB C 46 39.265 37.044 2.221 1
1 530 . 7 1 1 A 49 49 ARG H H 47 7.914 7.521 0.393 1
1 531 . 7 1 1 A 49 49 ARG HA H 47 4.352 4.652 -0.300 1
1 538 . 7 1 1 A 49 49 ARG C C 47 175.601 173.748 1.853 1
1 539 . 7 1 1 A 49 49 ARG CA C 47 57.051 54.850 2.201 1
1 540 . 7 1 1 A 49 49 ARG CB C 47 32.121 32.094 0.027 1
1 543 . 7 1 1 A 49 49 ARG N N 47 119.826 113.115 6.711 1
1 544 . 7 1 1 A 50 50 GLN H H 48 8.542 8.473 0.069 1
1 545 . 7 1 1 A 50 50 GLN HA H 48 5.495 5.078 0.417 1
1 552 . 7 1 1 A 50 50 GLN C C 48 175.578 175.520 0.058 1
1 553 . 7 1 1 A 50 50 GLN CA C 48 55.125 54.798 0.327 1
1 554 . 7 1 1 A 50 50 GLN CB C 48 32.121 30.399 1.722 1
1 556 . 7 1 1 A 50 50 GLN N N 48 120.767 119.804 0.963 1
1 558 . 7 1 1 A 51 51 VAL H H 49 8.649 9.480 -0.831 1
1 559 . 7 1 1 A 51 51 VAL HA H 49 4.833 4.819 0.014 1
1 567 . 7 1 1 A 51 51 VAL C C 49 175.258 173.836 1.422 1
1 568 . 7 1 1 A 51 51 VAL CA C 49 59.338 59.613 -0.275 1
1 569 . 7 1 1 A 51 51 VAL CB C 49 36.155 34.234 1.921 1
1 572 . 7 1 1 A 51 51 VAL N N 49 116.678 117.538 -0.860 1
1 573 . 7 1 1 A 52 52 CYS H H 50 9.099 9.630 -0.531 1
1 574 . 7 1 1 A 52 52 CYS HA H 50 5.308 5.306 0.002 1
1 577 . 7 1 1 A 52 52 CYS C C 50 174.527 172.646 1.881 1
1 578 . 7 1 1 A 52 52 CYS CA C 50 58.054 54.216 3.838 1
1 579 . 7 1 1 A 52 52 CYS CB C 50 43.375 45.557 -2.182 1
1 580 . 7 1 1 A 52 52 CYS N N 50 124.549 121.159 3.390 1
1 581 . 7 1 1 A 53 53 ILE H H 51 8.479 9.372 -0.893 1
1 582 . 7 1 1 A 53 53 ILE HA H 51 4.974 4.699 0.275 1
1 592 . 7 1 1 A 53 53 ILE C C 51 173.019 174.931 -1.912 1
1 593 . 7 1 1 A 53 53 ILE CA C 51 58.897 59.900 -1.003 1
1 594 . 7 1 1 A 53 53 ILE CB C 51 42.201 40.721 1.480 1
1 598 . 7 1 1 A 53 53 ILE N N 51 122.581 127.648 -5.067 1
1 599 . 7 1 1 A 54 54 ASP H H 52 7.642 8.435 -0.793 1
1 600 . 7 1 1 A 54 54 ASP HA H 52 3.619 4.452 -0.833 1
1 603 . 7 1 1 A 54 54 ASP CA C 52 51.574 51.601 -0.027 1
1 604 . 7 1 1 A 54 54 ASP CB C 52 42.515 41.709 0.806 1
1 605 . 7 1 1 A 54 54 ASP N N 52 125.772 126.490 -0.718 1
1 606 . 7 1 1 A 55 55 PRO HA H 53 4.023 4.324 -0.301 1
1 613 . 7 1 1 A 55 55 PRO C C 53 176.126 177.143 -1.017 1
1 614 . 7 1 1 A 55 55 PRO CA C 53 63.993 63.998 -0.005 1
1 615 . 7 1 1 A 55 55 PRO CB C 53 33.002 31.567 1.435 1
1 618 . 7 1 1 A 56 56 LYS H H 54 7.930 8.010 -0.080 1
1 619 . 7 1 1 A 56 56 LYS HA H 54 4.000 4.298 -0.298 1
1 628 . 7 1 1 A 56 56 LYS C C 54 177.931 176.555 1.376 1
1 629 . 7 1 1 A 56 56 LYS CA C 54 56.770 56.327 0.443 1
1 630 . 7 1 1 A 56 56 LYS CB C 54 32.023 32.930 -0.907 1
1 634 . 7 1 1 A 56 56 LYS N N 54 112.924 116.674 -3.750 1
1 635 . 7 1 1 A 57 57 LEU H H 55 7.161 6.943 0.218 1
1 636 . 7 1 1 A 57 57 LEU HA H 55 4.065 4.120 -0.055 1
1 646 . 7 1 1 A 57 57 LEU C C 55 179.416 177.726 1.690 1
1 647 . 7 1 1 A 57 57 LEU CA C 55 56.088 55.180 0.908 1
1 648 . 7 1 1 A 57 57 LEU CB C 55 42.397 41.814 0.583 1
1 652 . 7 1 1 A 57 57 LEU N N 55 120.593 121.093 -0.500 1
1 653 . 7 1 1 A 58 58 LYS H H 56 8.716 8.925 -0.209 1
1 654 . 7 1 1 A 58 58 LYS HA H 56 3.937 3.845 0.092 1
1 663 . 7 1 1 A 58 58 LYS C C 56 178.937 178.217 0.720 1
1 664 . 7 1 1 A 58 58 LYS CA C 56 60.301 59.833 0.468 1
1 665 . 7 1 1 A 58 58 LYS CB C 56 32.121 32.109 0.012 1
1 669 . 7 1 1 A 58 58 LYS N N 56 125.479 124.444 1.035 1
1 670 . 7 1 1 A 59 59 TRP H H 57 7.827 8.375 -0.548 1
1 671 . 7 1 1 A 59 59 TRP HA H 57 4.664 4.541 0.123 1
1 680 . 7 1 1 A 59 59 TRP C C 57 178.868 179.247 -0.379 1
1 681 . 7 1 1 A 59 59 TRP CA C 57 58.897 59.870 -0.973 1
1 682 . 7 1 1 A 59 59 TRP CB C 57 28.036 28.139 -0.103 1
1 688 . 7 1 1 A 59 59 TRP N N 57 113.433 119.187 -5.754 1
1 690 . 7 1 1 A 60 60 ILE H H 58 6.458 7.527 -1.069 1
1 691 . 7 1 1 A 60 60 ILE HA H 58 3.325 3.432 -0.107 1
1 701 . 7 1 1 A 60 60 ILE C C 58 177.726 177.658 0.068 1
1 702 . 7 1 1 A 60 60 ILE CA C 58 64.314 64.195 0.119 1
1 703 . 7 1 1 A 60 60 ILE CB C 58 35.897 36.788 -0.891 1
1 707 . 7 1 1 A 60 60 ILE N N 58 124.379 122.304 2.075 1
1 708 . 7 1 1 A 61 61 GLN H H 59 7.622 8.789 -1.167 1
1 709 . 7 1 1 A 61 61 GLN HA H 59 3.763 3.875 -0.112 1
1 716 . 7 1 1 A 61 61 GLN C C 59 178.434 178.768 -0.334 1
1 717 . 7 1 1 A 61 61 GLN CA C 59 59.379 59.432 -0.053 1
1 718 . 7 1 1 A 61 61 GLN CB C 59 28.602 28.252 0.350 1
1 720 . 7 1 1 A 61 61 GLN N N 59 119.070 118.216 0.854 1
1 722 . 7 1 1 A 62 62 GLU H H 60 8.064 8.081 -0.017 1
1 723 . 7 1 1 A 62 62 GLU HA H 60 4.093 4.106 -0.013 1
1 728 . 7 1 1 A 62 62 GLU C C 60 179.051 178.525 0.526 1
1 729 . 7 1 1 A 62 62 GLU CA C 60 59.659 58.870 0.789 1
1 730 . 7 1 1 A 62 62 GLU CB C 60 30.457 29.712 0.745 1
1 732 . 7 1 1 A 62 62 GLU N N 60 117.166 119.649 -2.483 1
1 733 . 7 1 1 A 63 63 TYR H H 61 7.913 7.856 0.057 1
1 734 . 7 1 1 A 63 63 TYR HA H 61 4.265 4.301 -0.036 1
1 741 . 7 1 1 A 63 63 TYR C C 61 178.617 177.715 0.902 1
1 742 . 7 1 1 A 63 63 TYR CA C 61 61.184 61.501 -0.317 1
1 743 . 7 1 1 A 63 63 TYR CB C 61 39.461 38.763 0.698 1
1 746 . 7 1 1 A 63 63 TYR N N 61 121.271 122.810 -1.539 1
1 747 . 7 1 1 A 64 64 LEU H H 62 8.252 8.919 -0.667 1
1 748 . 7 1 1 A 64 64 LEU HA H 62 3.977 3.916 0.061 1
1 758 . 7 1 1 A 64 64 LEU C C 62 179.553 179.524 0.029 1
1 759 . 7 1 1 A 64 64 LEU CA C 62 58.014 58.236 -0.222 1
1 760 . 7 1 1 A 64 64 LEU CB C 62 42.397 41.729 0.668 1
1 764 . 7 1 1 A 64 64 LEU N N 62 116.299 120.271 -3.972 1
1 765 . 7 1 1 A 65 65 GLU H H 63 8.453 8.195 0.258 1
1 766 . 7 1 1 A 65 65 GLU HA H 63 3.853 4.034 -0.181 1
1 771 . 7 1 1 A 65 65 GLU C C 63 179.279 179.306 -0.027 1
1 772 . 7 1 1 A 65 65 GLU CA C 63 60.301 59.428 0.873 1
1 773 . 7 1 1 A 65 65 GLU CB C 63 29.870 29.156 0.714 1
1 775 . 7 1 1 A 65 65 GLU N N 63 118.616 117.202 1.414 1
1 776 . 7 1 1 A 66 66 LYS H H 64 7.571 8.051 -0.480 1
1 777 . 7 1 1 A 66 66 LYS HA H 64 4.225 4.041 0.184 1
1 786 . 7 1 1 A 66 66 LYS C C 64 178.457 179.204 -0.747 1
1 787 . 7 1 1 A 66 66 LYS CA C 64 58.496 59.096 -0.600 1
1 788 . 7 1 1 A 66 66 LYS CB C 64 32.400 32.612 -0.212 1
1 792 . 7 1 1 A 66 66 LYS N N 64 117.166 119.215 -2.049 1
1 793 . 7 1 1 A 67 67 CYS H H 65 7.916 8.209 -0.293 1
1 794 . 7 1 1 A 67 67 CYS HA H 65 4.561 3.895 0.666 1
1 797 . 7 1 1 A 67 67 CYS C C 65 174.893 176.906 -2.013 1
1 798 . 7 1 1 A 67 67 CYS CA C 65 56.329 62.222 -5.893 1
1 799 . 7 1 1 A 67 67 CYS CB C 65 45.235 27.202 18.033 1
1 800 . 7 1 1 A 67 67 CYS N N 65 115.312 119.122 -3.810 1
1 801 . 7 1 1 A 68 68 LEU H H 66 7.556 7.865 -0.309 1
1 802 . 7 1 1 A 68 68 LEU HA H 66 4.520 4.001 0.519 1
1 812 . 7 1 1 A 68 68 LEU C C 66 176.812 177.433 -0.621 1
1 813 . 7 1 1 A 68 68 LEU CA C 66 55.366 58.004 -2.638 1
1 814 . 7 1 1 A 68 68 LEU CB C 66 43.278 41.730 1.548 1
1 818 . 7 1 1 A 68 68 LEU N N 66 120.930 120.466 0.464 1
1 819 . 7 1 1 A 69 69 ASN H H 67 8.266 7.710 0.556 1
1 820 . 7 1 1 A 69 69 ASN HA H 67 4.681 4.923 -0.242 1
1 825 . 7 1 1 A 69 69 ASN CA C 67 53.761 51.950 1.811 1
1 826 . 7 1 1 A 69 69 ASN CB C 67 39.069 38.833 0.236 1
1 827 . 7 1 1 A 69 69 ASN N N 67 120.279 113.810 6.469 1
1 852 . 7 2 2 B 4 4 GLU H H 102 8.376 8.444 -0.068 1
1 853 . 7 2 2 B 4 4 GLU HA H 102 4.335 4.555 -0.220 1
1 858 . 7 2 2 B 4 4 GLU C C 102 177.132 178.840 -1.708 1
1 859 . 7 2 2 B 4 4 GLU CA C 102 57.410 54.853 2.557 1
1 861 . 7 2 2 B 4 4 GLU N N 102 121.884 119.618 2.266 1
1 862 . 7 2 2 B 5 5 GLY H H 103 8.380 8.762 -0.382 1
1 863 . 7 2 2 B 5 5 GLY HA2 H 103 4.003 3.826 0.177 1
1 864 . 7 2 2 B 5 5 GLY HA3 H 103 4.003 3.835 0.168 1
1 865 . 7 2 2 B 5 5 GLY C C 103 174.207 174.955 -0.748 1
1 866 . 7 2 2 B 5 5 GLY CA C 103 45.750 45.596 0.154 1
1 867 . 7 2 2 B 5 5 GLY N N 103 110.055 107.881 2.174 1
1 868 . 7 2 2 B 6 6 ILE H H 104 7.851 7.891 -0.040 1
1 869 . 7 2 2 B 6 6 ILE HA H 104 4.305 3.782 0.523 1
1 879 . 7 2 2 B 6 6 ILE C C 104 176.401 174.557 1.844 1
1 880 . 7 2 2 B 6 6 ILE CA C 104 61.558 64.015 -2.457 1
1 881 . 7 2 2 B 6 6 ILE CB C 104 39.436 35.983 3.453 1
1 885 . 7 2 2 B 6 6 ILE N N 104 119.606 115.690 3.916 1
1 886 . 7 2 2 B 7 7 SER H H 105 8.369 8.005 0.364 1
1 887 . 7 2 2 B 7 7 SER HA H 105 4.564 4.847 -0.283 1
1 890 . 7 2 2 B 7 7 SER C C 105 174.550 172.171 2.379 1
1 891 . 7 2 2 B 7 7 SER CA C 105 58.667 57.615 1.052 1
1 892 . 7 2 2 B 7 7 SER CB C 105 64.072 67.212 -3.140 1
1 893 . 7 2 2 B 7 7 SER N N 105 119.853 114.381 5.472 1
1 894 . 7 2 2 B 8 8 ILE H H 106 7.953 8.635 -0.682 1
1 895 . 7 2 2 B 8 8 ILE HA H 106 4.224 4.605 -0.381 1
1 905 . 7 2 2 B 8 8 ILE C C 106 175.921 175.179 0.742 1
1 906 . 7 2 2 B 8 8 ILE CA C 106 61.935 59.255 2.680 1
1 907 . 7 2 2 B 8 8 ILE CB C 106 39.436 41.607 -2.171 1
1 911 . 7 2 2 B 8 8 ILE N N 106 121.730 121.497 0.233 1
1 912 . 7 2 2 B 9 9 TYR H H 107 8.171 8.710 -0.539 1
1 913 . 7 2 2 B 9 9 TYR HA H 107 4.736 4.872 -0.136 1
1 920 . 7 2 2 B 9 9 TYR C C 107 176.058 175.660 0.398 1
1 921 . 7 2 2 B 9 9 TYR CA C 107 58.165 58.118 0.047 1
1 922 . 7 2 2 B 9 9 TYR CB C 107 39.436 39.592 -0.156 1
1 925 . 7 2 2 B 9 9 TYR N N 107 123.598 123.481 0.117 1
1 926 . 7 2 2 B 10 10 THR H H 108 7.986 8.865 -0.879 1
1 927 . 7 2 2 B 10 10 THR HA H 108 4.452 4.546 -0.094 1
1 932 . 7 2 2 B 10 10 THR C C 108 174.459 173.788 0.671 1
1 933 . 7 2 2 B 10 10 THR CA C 108 62.061 62.067 -0.006 1
1 934 . 7 2 2 B 10 10 THR CB C 108 70.608 67.799 2.809 1
1 936 . 7 2 2 B 10 10 THR N N 108 115.642 117.693 -2.051 1
1 937 . 7 2 2 B 11 11 SER H H 109 8.193 8.638 -0.445 1
1 938 . 7 2 2 B 11 11 SER HA H 109 4.526 5.105 -0.579 1
1 941 . 7 2 2 B 11 11 SER C C 109 174.504 173.085 1.419 1
1 942 . 7 2 2 B 11 11 SER CA C 109 58.919 58.006 0.913 1
1 943 . 7 2 2 B 11 11 SER CB C 109 64.198 63.115 1.083 1
1 944 . 7 2 2 B 11 11 SER N N 109 117.597 126.210 -8.613 1
1 945 . 7 2 2 B 12 12 ASP H H 110 8.351 8.953 -0.602 1
1 946 . 7 2 2 B 12 12 ASP HA H 110 4.650 4.916 -0.266 1
1 949 . 7 2 2 B 12 12 ASP C C 110 176.058 175.280 0.778 1
1 950 . 7 2 2 B 12 12 ASP CA C 110 55.022 53.459 1.563 1
1 951 . 7 2 2 B 12 12 ASP CB C 110 41.825 44.288 -2.463 1
1 952 . 7 2 2 B 12 12 ASP N N 110 122.020 125.186 -3.166 1
1 953 . 7 2 2 B 13 13 ASN H H 111 8.230 9.202 -0.972 1
1 954 . 7 2 2 B 13 13 ASN HA H 111 4.745 4.637 0.108 1
1 957 . 7 2 2 B 13 13 ASN C C 111 175.030 175.194 -0.164 1
1 958 . 7 2 2 B 13 13 ASN CA C 111 53.765 54.537 -0.772 1
1 959 . 7 2 2 B 13 13 ASN CB C 111 39.562 39.022 0.540 1
1 960 . 7 2 2 B 13 13 ASN N N 111 118.317 122.253 -3.936 1
1 961 . 7 2 2 B 14 14 TYR H H 112 8.101 7.983 0.118 1
1 962 . 7 2 2 B 14 14 TYR HA H 112 4.645 4.432 0.213 1
1 969 . 7 2 2 B 14 14 TYR C C 112 176.081 176.175 -0.094 1
1 970 . 7 2 2 B 14 14 TYR CA C 112 58.793 59.738 -0.945 1
1 971 . 7 2 2 B 14 14 TYR CB C 112 39.436 39.117 0.319 1
1 974 . 7 2 2 B 14 14 TYR N N 112 121.125 119.864 1.261 1
1 975 . 7 2 2 B 15 15 THR H H 113 7.900 7.703 0.197 1
1 976 . 7 2 2 B 15 15 THR HA H 113 4.332 4.530 -0.198 1
1 981 . 7 2 2 B 15 15 THR C C 113 174.413 174.212 0.201 1
1 982 . 7 2 2 B 15 15 THR CA C 113 62.187 61.924 0.263 1
1 983 . 7 2 2 B 15 15 THR CB C 113 70.341 66.585 3.756 1
1 985 . 7 2 2 B 15 15 THR N N 113 116.394 113.341 3.053 1
1 986 . 7 2 2 B 16 16 GLU H H 114 8.283 8.660 -0.377 1
1 987 . 7 2 2 B 16 16 GLU HA H 114 4.275 4.271 0.004 1
1 992 . 7 2 2 B 16 16 GLU C C 114 176.766 176.163 0.603 1
1 993 . 7 2 2 B 16 16 GLU CA C 114 57.410 56.160 1.250 1
1 994 . 7 2 2 B 16 16 GLU CB C 114 30.638 30.436 0.202 1
1 996 . 7 2 2 B 16 16 GLU N N 114 123.052 125.556 -2.504 1
1 997 . 7 2 2 B 17 17 GLU H H 115 8.370 8.174 0.196 1
1 998 . 7 2 2 B 17 17 GLU HA H 115 4.325 4.022 0.303 1
1 1003 . 7 2 2 B 17 17 GLU C C 115 176.880 175.133 1.747 1
1 1004 . 7 2 2 B 17 17 GLU CA C 115 57.410 57.293 0.117 1
1 1005 . 7 2 2 B 17 17 GLU CB C 115 30.512 28.162 2.350 1
1 1007 . 7 2 2 B 17 17 GLU N N 115 121.688 119.686 2.002 1
1 1008 . 7 2 2 B 18 18 MET H H 116 8.314 7.680 0.634 1
1 1009 . 7 2 2 B 18 18 MET HA H 116 4.509 5.226 -0.717 1
1 1014 . 7 2 2 B 18 18 MET C C 116 177.086 175.703 1.383 1
1 1015 . 7 2 2 B 18 18 MET CA C 116 56.279 54.615 1.664 1
1 1016 . 7 2 2 B 18 18 MET CB C 116 33.026 35.611 -2.585 1
1 1017 . 7 2 2 B 18 18 MET N N 116 121.270 119.765 1.505 1
1 1018 . 7 2 2 B 19 19 GLY H H 117 8.384 8.496 -0.112 1
1 1019 . 7 2 2 B 19 19 GLY HA2 H 117 4.061 4.260 -0.199 1
1 1020 . 7 2 2 B 19 19 GLY HA3 H 117 4.061 4.266 -0.205 1
1 1021 . 7 2 2 B 19 19 GLY C C 117 174.481 173.380 1.101 1
1 1022 . 7 2 2 B 19 19 GLY CA C 117 45.847 45.775 0.072 1
1 1023 . 7 2 2 B 19 19 GLY N N 117 110.055 110.703 -0.648 1
1 1024 . 7 2 2 B 20 20 SER H H 118 8.250 8.876 -0.626 1
1 1025 . 7 2 2 B 20 20 SER HA H 118 4.495 4.733 -0.238 1
1 1028 . 7 2 2 B 20 20 SER C C 118 175.327 175.334 -0.007 1
1 1029 . 7 2 2 B 20 20 SER CA C 118 58.919 58.639 0.280 1
1 1030 . 7 2 2 B 20 20 SER CB C 118 64.575 65.847 -1.272 1
1 1031 . 7 2 2 B 20 20 SER N N 118 115.664 114.110 1.554 1
1 1032 . 7 2 2 B 21 21 GLY H H 119 8.429 8.147 0.282 1
1 1033 . 7 2 2 B 21 21 GLY HA2 H 119 4.000 4.036 -0.036 1
1 1034 . 7 2 2 B 21 21 GLY HA3 H 119 4.000 4.044 -0.044 1
1 1035 . 7 2 2 B 21 21 GLY C C 119 174.002 173.660 0.342 1
1 1036 . 7 2 2 B 21 21 GLY CA C 119 45.721 46.502 -0.781 1
1 1037 . 7 2 2 B 21 21 GLY N N 119 110.872 108.930 1.942 1
1 1038 . 7 2 2 B 22 22 ASP H H 120 8.127 8.610 -0.483 1
1 1039 . 7 2 2 B 22 22 ASP HA H 120 4.634 4.701 -0.067 1
1 1042 . 7 2 2 B 22 22 ASP C C 120 176.355 175.817 0.538 1
1 1043 . 7 2 2 B 22 22 ASP CA C 120 54.771 53.292 1.479 1
1 1044 . 7 2 2 B 22 22 ASP CB C 120 41.699 40.276 1.423 1
1 1045 . 7 2 2 B 22 22 ASP N N 120 120.530 126.806 -6.276 1
1 1046 . 7 2 2 B 23 23 TYR H H 121 8.097 8.831 -0.734 1
1 1047 . 7 2 2 B 23 23 TYR HA H 121 4.555 4.433 0.122 1
1 1054 . 7 2 2 B 23 23 TYR C C 121 176.058 175.028 1.030 1
1 1055 . 7 2 2 B 23 23 TYR CA C 121 58.667 59.716 -1.049 1
1 1056 . 7 2 2 B 23 23 TYR CB C 121 39.311 39.998 -0.687 1
1 1059 . 7 2 2 B 23 23 TYR N N 121 120.584 127.426 -6.842 1
1 1060 . 7 2 2 B 24 24 ASP H H 122 8.224 7.832 0.392 1
1 1061 . 7 2 2 B 24 24 ASP HA H 122 4.621 4.929 -0.308 1
1 1064 . 7 2 2 B 24 24 ASP C C 122 176.835 174.116 2.719 1
1 1065 . 7 2 2 B 24 24 ASP CA C 122 55.022 54.378 0.644 1
1 1066 . 7 2 2 B 24 24 ASP CB C 122 41.825 44.713 -2.888 1
1 1067 . 7 2 2 B 24 24 ASP N N 122 121.815 118.533 3.282 1
1 1068 . 7 2 2 B 25 25 SER H H 123 8.137 9.030 -0.893 1
1 1069 . 7 2 2 B 25 25 SER HA H 123 4.394 4.878 -0.484 1
1 1072 . 7 2 2 B 25 25 SER C C 123 175.075 174.006 1.069 1
1 1073 . 7 2 2 B 25 25 SER CA C 123 59.547 58.571 0.976 1
1 1074 . 7 2 2 B 25 25 SER CB C 123 63.540 64.400 -0.860 1
1 1075 . 7 2 2 B 25 25 SER N N 123 116.405 123.022 -6.617 1
1 1076 . 7 2 2 B 26 26 MET H H 124 8.221 9.102 -0.881 1
1 1077 . 7 2 2 B 26 26 MET HA H 124 4.500 4.614 -0.114 1
1 1082 . 7 2 2 B 26 26 MET C C 124 176.355 174.562 1.793 1
1 1083 . 7 2 2 B 26 26 MET CA C 124 56.279 56.406 -0.127 1
1 1084 . 7 2 2 B 26 26 MET CB C 124 32.900 33.603 -0.703 1
1 1086 . 7 2 2 B 26 26 MET N N 124 121.210 123.692 -2.482 1
1 1087 . 7 2 2 B 27 27 LYS H H 125 7.991 7.571 0.420 1
1 1088 . 7 2 2 B 27 27 LYS HA H 125 4.352 4.890 -0.538 1
1 1097 . 7 2 2 B 27 27 LYS C C 125 176.355 174.405 1.950 1
1 1098 . 7 2 2 B 27 27 LYS CA C 125 56.656 54.398 2.258 1
1 1099 . 7 2 2 B 27 27 LYS CB C 125 33.529 36.572 -3.043 1
1 1103 . 7 2 2 B 27 27 LYS N N 125 121.457 116.863 4.594 1
1 1104 . 7 2 2 B 28 28 GLU H H 126 8.216 8.818 -0.602 1
1 1105 . 7 2 2 B 28 28 GLU N N 126 122.890 118.294 4.596 1
1 1106 . 7 2 2 B 29 29 PRO HA H 127 4.396 4.564 -0.168 1
1 1113 . 7 2 2 B 29 29 PRO C C 127 176.812 175.882 0.930 1
1 1114 . 7 2 2 B 29 29 PRO CA C 127 63.821 62.514 1.307 1
1 1115 . 7 2 2 B 29 29 PRO CB C 127 32.272 32.745 -0.473 1
1 1118 . 7 2 2 B 30 30 ALA H H 128 8.282 8.289 -0.007 1
1 1119 . 7 2 2 B 30 30 ALA HA H 128 4.316 4.585 -0.269 1
1 1123 . 7 2 2 B 30 30 ALA C C 128 177.589 177.275 0.314 1
1 1124 . 7 2 2 B 30 30 ALA CA C 128 53.192 51.426 1.766 1
1 1125 . 7 2 2 B 30 30 ALA CB C 128 19.703 19.476 0.227 1
1 1126 . 7 2 2 B 30 30 ALA N N 128 123.577 123.885 -0.308 1
1 1127 . 7 2 2 B 31 31 PHE H H 129 8.035 7.798 0.237 1
1 1128 . 7 2 2 B 31 31 PHE HA H 129 4.637 4.089 0.548 1
1 1135 . 7 2 2 B 31 31 PHE C C 129 175.624 174.633 0.991 1
1 1136 . 7 2 2 B 31 31 PHE CA C 129 58.039 59.207 -1.168 1
1 1137 . 7 2 2 B 31 31 PHE CB C 129 40.065 35.788 4.277 1
1 1140 . 7 2 2 B 31 31 PHE N N 129 118.994 113.957 5.037 1
1 1141 . 7 2 2 B 32 32 ARG H H 130 8.066 7.727 0.339 1
1 1142 . 7 2 2 B 32 32 ARG HA H 130 4.351 4.814 -0.463 1
1 1149 . 7 2 2 B 32 32 ARG C C 130 175.875 175.611 0.264 1
1 1150 . 7 2 2 B 32 32 ARG CA C 130 56.154 53.980 2.174 1
1 1151 . 7 2 2 B 32 32 ARG CB C 130 31.643 32.434 -0.791 1
1 1154 . 7 2 2 B 32 32 ARG N N 130 123.094 118.409 4.685 1
1 1155 . 7 2 2 B 33 33 GLU H H 131 8.389 8.581 -0.192 1
1 1156 . 7 2 2 B 33 33 GLU HA H 131 4.295 4.424 -0.129 1
1 1161 . 7 2 2 B 33 33 GLU C C 131 176.766 176.368 0.398 1
1 1162 . 7 2 2 B 33 33 GLU CA C 131 57.285 56.905 0.380 1
1 1163 . 7 2 2 B 33 33 GLU CB C 131 30.512 29.987 0.525 1
1 1165 . 7 2 2 B 33 33 GLU N N 131 122.719 120.466 2.253 1
1 1166 . 7 2 2 B 34 34 GLU H H 132 8.526 8.724 -0.198 1
1 1167 . 7 2 2 B 34 34 GLU HA H 132 4.321 4.857 -0.536 1
1 1172 . 7 2 2 B 34 34 GLU C C 132 176.560 174.076 2.484 1
1 1173 . 7 2 2 B 34 34 GLU CA C 132 57.400 56.422 0.978 1
1 1174 . 7 2 2 B 34 34 GLU CB C 132 30.512 34.096 -3.584 1
1 1176 . 7 2 2 B 34 34 GLU N N 132 122.122 123.772 -1.650 1
1 1177 . 7 2 2 B 35 35 ASN H H 133 8.379 8.723 -0.344 1
1 1178 . 7 2 2 B 35 35 ASN HA H 133 4.712 5.091 -0.379 1
1 1181 . 7 2 2 B 35 35 ASN C C 133 175.258 173.727 1.531 1
1 1182 . 7 2 2 B 35 35 ASN CA C 133 53.765 52.031 1.734 1
1 1183 . 7 2 2 B 35 35 ASN CB C 133 39.562 38.445 1.117 1
1 1184 . 7 2 2 B 35 35 ASN N N 133 119.552 124.680 -5.128 1
1 1185 . 7 2 2 B 36 36 ALA H H 134 8.175 8.557 -0.382 1
1 1186 . 7 2 2 B 36 36 ALA HA H 134 4.308 4.771 -0.463 1
1 1190 . 7 2 2 B 36 36 ALA C C 134 177.520 176.811 0.709 1
1 1191 . 7 2 2 B 36 36 ALA CA C 134 53.192 51.163 2.029 1
1 1192 . 7 2 2 B 36 36 ALA CB C 134 19.703 20.078 -0.375 1
1 1193 . 7 2 2 B 36 36 ALA N N 134 124.376 126.031 -1.655 1
1 1194 . 7 2 2 B 37 37 ASN H H 135 8.238 8.877 -0.639 1
1 1195 . 7 2 2 B 37 37 ASN HA H 135 4.713 5.340 -0.627 1
1 1198 . 7 2 2 B 37 37 ASN C C 135 175.144 175.217 -0.073 1
1 1199 . 7 2 2 B 37 37 ASN CA C 135 53.640 52.311 1.329 1
1 1200 . 7 2 2 B 37 37 ASN CB C 135 39.311 38.537 0.774 1
1 1201 . 7 2 2 B 37 37 ASN N N 135 117.103 119.693 -2.590 1
1 1202 . 7 2 2 B 38 38 PHE H H 136 7.997 8.862 -0.865 1
1 1203 . 7 2 2 B 38 38 PHE HA H 136 4.678 4.205 0.473 1
1 1210 . 7 2 2 B 38 38 PHE C C 136 175.601 175.568 0.033 1
1 1211 . 7 2 2 B 38 38 PHE CA C 136 58.165 60.962 -2.797 1
1 1212 . 7 2 2 B 38 38 PHE CB C 136 39.939 39.283 0.656 1
1 1215 . 7 2 2 B 38 38 PHE N N 136 120.229 122.868 -2.639 1
1 1216 . 7 2 2 B 39 39 ASN H H 137 8.272 8.362 -0.090 1
1 1217 . 7 2 2 B 39 39 ASN HA H 137 4.752 4.471 0.281 1
1 1220 . 7 2 2 B 39 39 ASN C C 137 174.047 175.295 -1.248 1
1 1221 . 7 2 2 B 39 39 ASN CA C 137 53.891 54.033 -0.142 1
1 1222 . 7 2 2 B 39 39 ASN CB C 137 39.688 36.925 2.763 1
1 1223 . 7 2 2 B 39 39 ASN N N 137 120.594 117.088 3.506 1
1 3 . 8 1 1 A 4 4 PRO HA H 2 4.509 4.940 -0.431 1
1 10 . 8 1 1 A 4 4 PRO C C 2 177.132 176.273 0.859 1
1 11 . 8 1 1 A 4 4 PRO CA C 2 63.529 62.117 1.412 1
1 12 . 8 1 1 A 4 4 PRO CB C 2 32.476 32.544 -0.068 1
1 15 . 8 1 1 A 5 5 VAL H H 3 8.201 8.361 -0.160 1
1 16 . 8 1 1 A 5 5 VAL HA H 3 4.152 4.365 -0.213 1
1 24 . 8 1 1 A 5 5 VAL C C 3 176.423 174.911 1.512 1
1 25 . 8 1 1 A 5 5 VAL CA C 3 62.873 62.057 0.816 1
1 26 . 8 1 1 A 5 5 VAL CB C 3 33.455 32.258 1.197 1
1 28 . 8 1 1 A 5 5 VAL N N 3 120.488 122.435 -1.947 1
1 29 . 8 1 1 A 6 6 SER H H 4 8.276 8.386 -0.110 1
1 30 . 8 1 1 A 6 6 SER HA H 4 4.494 5.228 -0.734 1
1 33 . 8 1 1 A 6 6 SER C C 4 174.687 173.937 0.750 1
1 34 . 8 1 1 A 6 6 SER CA C 4 58.375 56.245 2.130 1
1 35 . 8 1 1 A 6 6 SER CB C 4 64.295 65.075 -0.780 1
1 36 . 8 1 1 A 6 6 SER N N 4 119.000 123.002 -4.002 1
1 37 . 8 1 1 A 7 7 LEU H H 5 8.238 8.783 -0.545 1
1 38 . 8 1 1 A 7 7 LEU HA H 5 4.406 4.909 -0.503 1
1 44 . 8 1 1 A 7 7 LEU C C 5 177.406 177.781 -0.375 1
1 45 . 8 1 1 A 7 7 LEU CA C 5 55.766 53.258 2.508 1
1 46 . 8 1 1 A 7 7 LEU CB C 5 43.083 44.392 -1.309 1
1 48 . 8 1 1 A 7 7 LEU N N 5 124.704 124.458 0.246 1
1 49 . 8 1 1 A 8 8 SER H H 6 8.148 8.854 -0.706 1
1 50 . 8 1 1 A 8 8 SER HA H 6 4.438 4.216 0.222 1
1 53 . 8 1 1 A 8 8 SER C C 6 174.321 174.043 0.278 1
1 54 . 8 1 1 A 8 8 SER CA C 6 58.718 60.925 -2.207 1
1 55 . 8 1 1 A 8 8 SER CB C 6 64.295 62.789 1.506 1
1 56 . 8 1 1 A 8 8 SER N N 6 115.960 116.108 -0.148 1
1 57 . 8 1 1 A 9 9 TYR H H 7 7.954 8.006 -0.052 1
1 58 . 8 1 1 A 9 9 TYR HA H 7 4.585 4.845 -0.260 1
1 65 . 8 1 1 A 9 9 TYR C C 7 175.532 174.761 0.771 1
1 66 . 8 1 1 A 9 9 TYR CA C 7 58.335 56.053 2.282 1
1 67 . 8 1 1 A 9 9 TYR CB C 7 39.474 36.878 2.596 1
1 70 . 8 1 1 A 9 9 TYR N N 7 121.884 117.973 3.911 1
1 71 . 8 1 1 A 10 10 ARG H H 8 8.117 7.854 0.263 1
1 72 . 8 1 1 A 10 10 ARG HA H 8 4.349 4.826 -0.477 1
1 79 . 8 1 1 A 10 10 ARG C C 8 175.898 174.979 0.919 1
1 80 . 8 1 1 A 10 10 ARG CA C 8 56.048 53.714 2.334 1
1 81 . 8 1 1 A 10 10 ARG CB C 8 31.492 34.528 -3.036 1
1 84 . 8 1 1 A 10 10 ARG N N 8 121.977 118.462 3.515 1
1 85 . 8 1 1 A 11 11 CYS H H 9 8.127 8.790 -0.663 1
1 86 . 8 1 1 A 11 11 CYS HA H 9 5.004 4.924 0.080 1
1 89 . 8 1 1 A 11 11 CYS C C 9 177.771 173.856 3.915 1
1 90 . 8 1 1 A 11 11 CYS CA C 9 53.192 55.076 -1.884 1
1 91 . 8 1 1 A 11 11 CYS CB C 9 40.897 42.714 -1.817 1
1 92 . 8 1 1 A 11 11 CYS N N 9 121.209 119.793 1.416 1
1 93 . 8 1 1 A 12 12 PRO HA H 10 4.340 4.237 0.103 1
1 100 . 8 1 1 A 12 12 PRO CA C 10 65.478 64.923 0.555 1
1 101 . 8 1 1 A 12 12 PRO CB C 10 32.904 31.397 1.507 1
1 104 . 8 1 1 A 13 13 CYS H H 11 8.662 8.333 0.329 1
1 105 . 8 1 1 A 13 13 CYS C C 11 174.618 173.859 0.759 1
1 106 . 8 1 1 A 13 13 CYS N N 11 114.595 116.634 -2.039 1
1 107 . 8 1 1 A 14 14 ARG H H 12 8.236 8.392 -0.156 1
1 108 . 8 1 1 A 14 14 ARG HA H 12 4.075 4.192 -0.117 1
1 115 . 8 1 1 A 14 14 ARG C C 12 175.098 176.256 -1.158 1
1 116 . 8 1 1 A 14 14 ARG CA C 12 57.370 57.526 -0.156 1
1 117 . 8 1 1 A 14 14 ARG CB C 12 31.631 30.842 0.789 1
1 120 . 8 1 1 A 14 14 ARG N N 12 122.779 127.346 -4.567 1
1 121 . 8 1 1 A 15 15 PHE H H 13 7.603 7.757 -0.154 1
1 122 . 8 1 1 A 15 15 PHE HA H 13 4.515 5.209 -0.694 1
1 129 . 8 1 1 A 15 15 PHE C C 13 174.162 174.826 -0.664 1
1 130 . 8 1 1 A 15 15 PHE CA C 13 56.289 56.490 -0.201 1
1 131 . 8 1 1 A 15 15 PHE CB C 13 41.320 42.697 -1.377 1
1 134 . 8 1 1 A 15 15 PHE N N 13 116.797 115.113 1.684 1
1 135 . 8 1 1 A 16 16 PHE H H 14 8.112 8.713 -0.601 1
1 136 . 8 1 1 A 16 16 PHE HA H 14 4.783 6.434 -1.651 1
1 143 . 8 1 1 A 16 16 PHE C C 14 175.441 173.216 2.225 1
1 144 . 8 1 1 A 16 16 PHE CA C 14 55.767 55.400 0.367 1
1 145 . 8 1 1 A 16 16 PHE CB C 14 41.320 42.417 -1.097 1
1 148 . 8 1 1 A 16 16 PHE N N 14 118.930 119.404 -0.474 1
1 149 . 8 1 1 A 17 17 GLU H H 15 8.820 8.892 -0.072 1
1 150 . 8 1 1 A 17 17 GLU HA H 15 4.616 4.758 -0.142 1
1 155 . 8 1 1 A 17 17 GLU C C 15 176.857 177.405 -0.548 1
1 156 . 8 1 1 A 17 17 GLU CA C 15 56.289 55.037 1.252 1
1 157 . 8 1 1 A 17 17 GLU CB C 15 31.173 31.807 -0.634 1
1 159 . 8 1 1 A 17 17 GLU N N 15 122.825 123.986 -1.161 1
1 160 . 8 1 1 A 18 18 SER H H 16 8.746 9.072 -0.326 1
1 161 . 8 1 1 A 18 18 SER HA H 16 4.759 4.660 0.099 1
1 164 . 8 1 1 A 18 18 SER C C 16 177.497 175.288 2.209 1
1 165 . 8 1 1 A 18 18 SER CA C 16 59.328 60.359 -1.031 1
1 166 . 8 1 1 A 18 18 SER CB C 16 64.515 63.963 0.552 1
1 167 . 8 1 1 A 18 18 SER N N 16 118.860 122.180 -3.320 1
1 168 . 8 1 1 A 19 19 HIS H H 17 8.761 8.307 0.454 1
1 169 . 8 1 1 A 19 19 HIS HA H 17 4.859 4.835 0.024 1
1 174 . 8 1 1 A 19 19 HIS C C 17 174.618 175.476 -0.858 1
1 175 . 8 1 1 A 19 19 HIS CA C 17 56.449 55.594 0.855 1
1 176 . 8 1 1 A 19 19 HIS CB C 17 29.870 29.927 -0.057 1
1 179 . 8 1 1 A 19 19 HIS N N 17 120.535 118.795 1.740 1
1 180 . 8 1 1 A 20 20 VAL H H 18 7.211 7.514 -0.303 1
1 181 . 8 1 1 A 20 20 VAL HA H 18 4.160 3.921 0.239 1
1 189 . 8 1 1 A 20 20 VAL C C 18 174.436 175.546 -1.110 1
1 190 . 8 1 1 A 20 20 VAL CA C 18 62.167 63.333 -1.166 1
1 191 . 8 1 1 A 20 20 VAL CB C 18 34.426 32.060 2.366 1
1 193 . 8 1 1 A 20 20 VAL N N 18 120.872 121.339 -0.467 1
1 194 . 8 1 1 A 21 21 ALA H H 19 8.535 8.640 -0.105 1
1 195 . 8 1 1 A 21 21 ALA HA H 19 4.402 4.324 0.078 1
1 199 . 8 1 1 A 21 21 ALA C C 19 177.657 177.771 -0.114 1
1 200 . 8 1 1 A 21 21 ALA CA C 19 51.193 51.329 -0.136 1
1 201 . 8 1 1 A 21 21 ALA CB C 19 19.790 19.725 0.065 1
1 202 . 8 1 1 A 21 21 ALA N N 19 131.339 129.202 2.137 1
1 203 . 8 1 1 A 22 22 ARG H H 20 7.815 8.171 -0.356 1
1 204 . 8 1 1 A 22 22 ARG HA H 20 2.495 3.464 -0.969 1
1 211 . 8 1 1 A 22 22 ARG C C 20 178.365 177.499 0.866 1
1 212 . 8 1 1 A 22 22 ARG CA C 20 59.379 58.300 1.079 1
1 213 . 8 1 1 A 22 22 ARG CB C 20 29.572 29.260 0.312 1
1 216 . 8 1 1 A 22 22 ARG N N 20 124.365 123.519 0.846 1
1 217 . 8 1 1 A 23 23 ALA H H 21 8.135 7.579 0.556 1
1 218 . 8 1 1 A 23 23 ALA HA H 21 4.070 4.115 -0.045 1
1 222 . 8 1 1 A 23 23 ALA C C 21 178.000 177.750 0.250 1
1 223 . 8 1 1 A 23 23 ALA CA C 21 54.100 53.801 0.299 1
1 224 . 8 1 1 A 23 23 ALA CB C 21 18.713 18.274 0.439 1
1 225 . 8 1 1 A 23 23 ALA N N 21 117.156 121.393 -4.237 1
1 226 . 8 1 1 A 24 24 ASN H H 22 7.712 7.711 0.001 1
1 227 . 8 1 1 A 24 24 ASN HA H 22 5.008 4.839 0.169 1
1 232 . 8 1 1 A 24 24 ASN C C 22 174.938 174.871 0.067 1
1 233 . 8 1 1 A 24 24 ASN CA C 22 52.869 52.536 0.333 1
1 234 . 8 1 1 A 24 24 ASN CB C 22 40.573 39.294 1.279 1
1 235 . 8 1 1 A 24 24 ASN N N 22 112.819 115.282 -2.463 1
1 237 . 8 1 1 A 25 25 VAL H H 23 7.508 7.397 0.111 1
1 238 . 8 1 1 A 25 25 VAL HA H 23 4.896 4.386 0.510 1
1 246 . 8 1 1 A 25 25 VAL C C 23 175.829 175.189 0.640 1
1 247 . 8 1 1 A 25 25 VAL CA C 23 59.870 60.171 -0.301 1
1 248 . 8 1 1 A 25 25 VAL CB C 23 35.396 33.777 1.619 1
1 251 . 8 1 1 A 25 25 VAL N N 23 119.721 119.467 0.254 1
1 252 . 8 1 1 A 26 26 LYS H H 24 9.483 8.946 0.537 1
1 253 . 8 1 1 A 26 26 LYS HA H 24 4.350 4.404 -0.054 1
1 262 . 8 1 1 A 26 26 LYS C C 24 176.606 176.479 0.127 1
1 263 . 8 1 1 A 26 26 LYS CA C 24 58.977 57.214 1.763 1
1 264 . 8 1 1 A 26 26 LYS CB C 24 34.567 33.451 1.116 1
1 268 . 8 1 1 A 26 26 LYS N N 24 128.029 126.641 1.388 1
1 269 . 8 1 1 A 27 27 HIS H H 25 7.223 7.816 -0.593 1
1 270 . 8 1 1 A 27 27 HIS HA H 25 4.979 4.953 0.026 1
1 275 . 8 1 1 A 27 27 HIS C C 25 178.434 172.508 5.926 1
1 276 . 8 1 1 A 27 27 HIS CA C 25 55.406 54.791 0.615 1
1 277 . 8 1 1 A 27 27 HIS CB C 25 32.904 31.234 1.670 1
1 280 . 8 1 1 A 27 27 HIS N N 25 109.556 113.695 -4.139 1
1 281 . 8 1 1 A 28 28 LEU H H 26 8.149 8.856 -0.707 1
1 282 . 8 1 1 A 28 28 LEU HA H 26 5.190 5.191 -0.001 1
1 292 . 8 1 1 A 28 28 LEU C C 26 175.510 175.245 0.265 1
1 293 . 8 1 1 A 28 28 LEU CA C 26 53.480 53.358 0.122 1
1 294 . 8 1 1 A 28 28 LEU CB C 26 45.235 44.973 0.262 1
1 298 . 8 1 1 A 28 28 LEU N N 26 117.106 119.854 -2.748 1
1 299 . 8 1 1 A 29 29 LYS H H 27 9.578 9.184 0.394 1
1 300 . 8 1 1 A 29 29 LYS HA H 27 5.385 4.925 0.460 1
1 309 . 8 1 1 A 29 29 LYS C C 27 174.801 174.906 -0.105 1
1 310 . 8 1 1 A 29 29 LYS CA C 27 55.165 54.663 0.502 1
1 311 . 8 1 1 A 29 29 LYS CB C 27 35.253 34.600 0.653 1
1 315 . 8 1 1 A 29 29 LYS N N 27 123.488 124.114 -0.626 1
1 316 . 8 1 1 A 30 30 ILE H H 28 9.133 9.006 0.127 1
1 317 . 8 1 1 A 30 30 ILE HA H 28 4.925 4.832 0.093 1
1 327 . 8 1 1 A 30 30 ILE C C 28 176.949 174.309 2.640 1
1 328 . 8 1 1 A 30 30 ILE CA C 28 60.542 59.581 0.961 1
1 329 . 8 1 1 A 30 30 ILE CB C 28 39.600 38.365 1.235 1
1 333 . 8 1 1 A 30 30 ILE N N 28 123.846 129.034 -5.188 1
1 334 . 8 1 1 A 31 31 LEU H H 29 8.830 9.308 -0.478 1
1 335 . 8 1 1 A 31 31 LEU HA H 29 4.533 5.305 -0.772 1
1 344 . 8 1 1 A 31 31 LEU C C 29 176.012 174.228 1.784 1
1 345 . 8 1 1 A 31 31 LEU CA C 29 55.406 53.296 2.110 1
1 346 . 8 1 1 A 31 31 LEU CB C 29 43.180 45.564 -2.384 1
1 349 . 8 1 1 A 31 31 LEU N N 29 128.649 130.523 -1.874 1
1 350 . 8 1 1 A 32 32 ASN H H 30 8.211 8.850 -0.639 1
1 351 . 8 1 1 A 32 32 ASN HA H 30 5.014 5.207 -0.193 1
1 356 . 8 1 1 A 32 32 ASN C C 30 174.664 174.555 0.109 1
1 357 . 8 1 1 A 32 32 ASN CA C 30 52.517 51.858 0.659 1
1 358 . 8 1 1 A 32 32 ASN CB C 30 38.776 39.809 -1.033 1
1 359 . 8 1 1 A 32 32 ASN N N 30 120.791 126.435 -5.644 1
1 361 . 8 1 1 A 33 33 THR H H 31 7.896 8.770 -0.874 1
1 362 . 8 1 1 A 33 33 THR HA H 31 4.842 4.959 -0.117 1
1 367 . 8 1 1 A 33 33 THR CA C 31 58.369 59.227 -0.858 1
1 368 . 8 1 1 A 33 33 THR CB C 31 70.011 69.365 0.646 1
1 370 . 8 1 1 A 33 33 THR N N 31 115.811 117.419 -1.608 1
1 371 . 8 1 1 A 34 34 PRO HA H 32 4.317 4.312 0.005 1
1 378 . 8 1 1 A 34 34 PRO CA C 32 65.164 65.598 -0.434 1
1 379 . 8 1 1 A 34 34 PRO CB C 32 32.484 31.668 0.816 1
1 382 . 8 1 1 A 35 35 ASN H H 33 8.256 8.194 0.062 1
1 383 . 8 1 1 A 35 35 ASN HA H 33 4.651 4.847 -0.196 1
1 388 . 8 1 1 A 35 35 ASN C C 33 174.710 174.907 -0.197 1
1 389 . 8 1 1 A 35 35 ASN CA C 33 54.532 53.021 1.511 1
1 390 . 8 1 1 A 35 35 ASN CB C 33 39.167 38.577 0.590 1
1 391 . 8 1 1 A 35 35 ASN N N 33 120.081 113.769 6.312 1
1 393 . 8 1 1 A 36 36 CYS H H 34 7.548 7.584 -0.036 1
1 394 . 8 1 1 A 36 36 CYS HA H 34 4.693 4.907 -0.214 1
1 397 . 8 1 1 A 36 36 CYS C C 34 173.865 173.391 0.474 1
1 398 . 8 1 1 A 36 36 CYS CA C 34 55.447 54.839 0.608 1
1 399 . 8 1 1 A 36 36 CYS CB C 34 45.228 45.004 0.224 1
1 400 . 8 1 1 A 36 36 CYS N N 34 117.076 116.755 0.321 1
1 401 . 8 1 1 A 37 37 ALA H H 35 8.469 8.575 -0.106 1
1 402 . 8 1 1 A 37 37 ALA HA H 35 4.252 4.103 0.149 1
1 406 . 8 1 1 A 37 37 ALA C C 35 176.423 176.986 -0.563 1
1 407 . 8 1 1 A 37 37 ALA CA C 35 53.537 54.727 -1.190 1
1 408 . 8 1 1 A 37 37 ALA CB C 35 19.202 18.929 0.273 1
1 409 . 8 1 1 A 37 37 ALA N N 35 125.153 125.936 -0.783 1
1 410 . 8 1 1 A 38 38 CYS H H 36 8.315 8.044 0.271 1
1 411 . 8 1 1 A 38 38 CYS HA H 36 4.211 4.971 -0.760 1
1 414 . 8 1 1 A 38 38 CYS C C 36 173.705 173.142 0.563 1
1 415 . 8 1 1 A 38 38 CYS CA C 36 58.616 57.289 1.327 1
1 416 . 8 1 1 A 38 38 CYS CB C 36 45.705 30.171 15.534 1
1 417 . 8 1 1 A 38 38 CYS N N 36 118.837 115.200 3.637 1
1 418 . 8 1 1 A 39 39 GLN H H 37 8.926 9.209 -0.283 1
1 419 . 8 1 1 A 39 39 GLN HA H 37 4.609 4.662 -0.053 1
1 426 . 8 1 1 A 39 39 GLN C C 37 173.636 174.732 -1.096 1
1 427 . 8 1 1 A 39 39 GLN CA C 37 54.603 54.791 -0.188 1
1 428 . 8 1 1 A 39 39 GLN CB C 37 31.761 29.114 2.647 1
1 430 . 8 1 1 A 39 39 GLN N N 37 128.567 125.809 2.758 1
1 432 . 8 1 1 A 40 40 ILE H H 38 8.874 8.907 -0.033 1
1 433 . 8 1 1 A 40 40 ILE HA H 38 5.093 5.160 -0.067 1
1 443 . 8 1 1 A 40 40 ILE C C 38 174.390 175.033 -0.643 1
1 444 . 8 1 1 A 40 40 ILE CA C 38 60.582 59.862 0.720 1
1 445 . 8 1 1 A 40 40 ILE CB C 38 40.048 38.388 1.660 1
1 449 . 8 1 1 A 40 40 ILE N N 38 123.962 125.888 -1.926 1
1 450 . 8 1 1 A 41 41 VAL H H 39 9.120 9.166 -0.046 1
1 451 . 8 1 1 A 41 41 VAL HA H 39 4.905 4.721 0.184 1
1 459 . 8 1 1 A 41 41 VAL C C 39 175.487 174.561 0.926 1
1 460 . 8 1 1 A 41 41 VAL CA C 39 59.980 61.196 -1.216 1
1 461 . 8 1 1 A 41 41 VAL CB C 39 35.868 33.436 2.432 1
1 464 . 8 1 1 A 41 41 VAL N N 39 126.354 128.849 -2.495 1
1 465 . 8 1 1 A 42 42 ALA H H 40 9.513 9.528 -0.015 1
1 466 . 8 1 1 A 42 42 ALA HA H 40 5.154 5.397 -0.243 1
1 470 . 8 1 1 A 42 42 ALA C C 40 175.944 175.408 0.536 1
1 471 . 8 1 1 A 42 42 ALA CA C 40 50.591 50.166 0.425 1
1 472 . 8 1 1 A 42 42 ALA CB C 40 22.432 21.174 1.258 1
1 473 . 8 1 1 A 42 42 ALA N N 40 128.406 129.727 -1.321 1
1 474 . 8 1 1 A 43 43 ARG H H 41 7.706 8.559 -0.853 1
1 475 . 8 1 1 A 43 43 ARG HA H 41 4.978 4.905 0.073 1
1 482 . 8 1 1 A 43 43 ARG C C 41 175.510 175.939 -0.429 1
1 483 . 8 1 1 A 43 43 ARG CA C 41 54.162 55.184 -1.022 1
1 484 . 8 1 1 A 43 43 ARG CB C 41 31.200 32.194 -0.994 1
1 487 . 8 1 1 A 43 43 ARG N N 41 121.663 124.432 -2.769 1
1 488 . 8 1 1 A 44 44 LEU H H 42 9.164 8.405 0.759 1
1 489 . 8 1 1 A 44 44 LEU HA H 42 5.023 4.605 0.418 1
1 499 . 8 1 1 A 44 44 LEU C C 42 177.840 177.621 0.219 1
1 500 . 8 1 1 A 44 44 LEU CA C 42 54.724 54.816 -0.092 1
1 501 . 8 1 1 A 44 44 LEU CB C 42 41.712 42.223 -0.511 1
1 505 . 8 1 1 A 44 44 LEU N N 42 129.087 127.085 2.002 1
1 506 . 8 1 1 A 45 45 LYS H H 43 8.414 8.588 -0.174 1
1 507 . 8 1 1 A 45 45 LYS HA H 43 3.954 4.205 -0.251 1
1 516 . 8 1 1 A 45 45 LYS CA C 43 59.016 56.916 2.100 1
1 517 . 8 1 1 A 45 45 LYS CB C 43 34.102 33.099 1.003 1
1 520 . 8 1 1 A 45 45 LYS N N 43 119.674 121.499 -1.825 1
1 521 . 8 1 1 A 48 48 ASN HA H 46 4.723 5.146 -0.423 1
1 526 . 8 1 1 A 48 48 ASN C C 46 175.098 173.842 1.256 1
1 527 . 8 1 1 A 48 48 ASN CA C 46 54.764 52.108 2.656 1
1 528 . 8 1 1 A 48 48 ASN CB C 46 39.265 41.489 -2.224 1
1 530 . 8 1 1 A 49 49 ARG H H 47 7.914 8.347 -0.433 1
1 531 . 8 1 1 A 49 49 ARG HA H 47 4.352 4.653 -0.301 1
1 538 . 8 1 1 A 49 49 ARG C C 47 175.601 175.161 0.440 1
1 539 . 8 1 1 A 49 49 ARG CA C 47 57.051 55.326 1.725 1
1 540 . 8 1 1 A 49 49 ARG CB C 47 32.121 32.043 0.078 1
1 543 . 8 1 1 A 49 49 ARG N N 47 119.826 120.376 -0.550 1
1 544 . 8 1 1 A 50 50 GLN H H 48 8.542 8.408 0.134 1
1 545 . 8 1 1 A 50 50 GLN HA H 48 5.495 5.302 0.193 1
1 552 . 8 1 1 A 50 50 GLN C C 48 175.578 175.193 0.385 1
1 553 . 8 1 1 A 50 50 GLN CA C 48 55.125 54.339 0.786 1
1 554 . 8 1 1 A 50 50 GLN CB C 48 32.121 31.960 0.161 1
1 556 . 8 1 1 A 50 50 GLN N N 48 120.767 118.383 2.384 1
1 558 . 8 1 1 A 51 51 VAL H H 49 8.649 9.056 -0.407 1
1 559 . 8 1 1 A 51 51 VAL HA H 49 4.833 4.967 -0.134 1
1 567 . 8 1 1 A 51 51 VAL C C 49 175.258 173.611 1.647 1
1 568 . 8 1 1 A 51 51 VAL CA C 49 59.338 59.102 0.236 1
1 569 . 8 1 1 A 51 51 VAL CB C 49 36.155 35.407 0.748 1
1 572 . 8 1 1 A 51 51 VAL N N 49 116.678 117.201 -0.523 1
1 573 . 8 1 1 A 52 52 CYS H H 50 9.099 8.601 0.498 1
1 574 . 8 1 1 A 52 52 CYS HA H 50 5.308 5.452 -0.144 1
1 577 . 8 1 1 A 52 52 CYS C C 50 174.527 172.886 1.641 1
1 578 . 8 1 1 A 52 52 CYS CA C 50 58.054 54.724 3.330 1
1 579 . 8 1 1 A 52 52 CYS CB C 50 43.375 45.674 -2.299 1
1 580 . 8 1 1 A 52 52 CYS N N 50 124.549 120.861 3.688 1
1 581 . 8 1 1 A 53 53 ILE H H 51 8.479 9.417 -0.938 1
1 582 . 8 1 1 A 53 53 ILE HA H 51 4.974 4.937 0.037 1
1 592 . 8 1 1 A 53 53 ILE C C 51 173.019 174.992 -1.973 1
1 593 . 8 1 1 A 53 53 ILE CA C 51 58.897 59.876 -0.979 1
1 594 . 8 1 1 A 53 53 ILE CB C 51 42.201 41.551 0.650 1
1 598 . 8 1 1 A 53 53 ILE N N 51 122.581 124.965 -2.384 1
1 599 . 8 1 1 A 54 54 ASP H H 52 7.642 8.519 -0.877 1
1 600 . 8 1 1 A 54 54 ASP HA H 52 3.619 4.366 -0.747 1
1 603 . 8 1 1 A 54 54 ASP CA C 52 51.574 51.677 -0.103 1
1 604 . 8 1 1 A 54 54 ASP CB C 52 42.515 41.605 0.910 1
1 605 . 8 1 1 A 54 54 ASP N N 52 125.772 126.183 -0.411 1
1 606 . 8 1 1 A 55 55 PRO HA H 53 4.023 4.417 -0.394 1
1 613 . 8 1 1 A 55 55 PRO C C 53 176.126 176.587 -0.461 1
1 614 . 8 1 1 A 55 55 PRO CA C 53 63.993 63.825 0.168 1
1 615 . 8 1 1 A 55 55 PRO CB C 53 33.002 31.816 1.186 1
1 618 . 8 1 1 A 56 56 LYS H H 54 7.930 8.010 -0.080 1
1 619 . 8 1 1 A 56 56 LYS HA H 54 4.000 4.373 -0.373 1
1 628 . 8 1 1 A 56 56 LYS C C 54 177.931 176.472 1.459 1
1 629 . 8 1 1 A 56 56 LYS CA C 54 56.770 56.059 0.711 1
1 630 . 8 1 1 A 56 56 LYS CB C 54 32.023 33.065 -1.042 1
1 634 . 8 1 1 A 56 56 LYS N N 54 112.924 116.417 -3.493 1
1 635 . 8 1 1 A 57 57 LEU H H 55 7.161 6.912 0.249 1
1 636 . 8 1 1 A 57 57 LEU HA H 55 4.065 4.172 -0.107 1
1 646 . 8 1 1 A 57 57 LEU C C 55 179.416 177.673 1.743 1
1 647 . 8 1 1 A 57 57 LEU CA C 55 56.088 55.280 0.808 1
1 648 . 8 1 1 A 57 57 LEU CB C 55 42.397 41.546 0.851 1
1 652 . 8 1 1 A 57 57 LEU N N 55 120.593 121.686 -1.093 1
1 653 . 8 1 1 A 58 58 LYS H H 56 8.716 8.846 -0.130 1
1 654 . 8 1 1 A 58 58 LYS HA H 56 3.937 3.973 -0.036 1
1 663 . 8 1 1 A 58 58 LYS C C 56 178.937 178.444 0.493 1
1 664 . 8 1 1 A 58 58 LYS CA C 56 60.301 59.491 0.810 1
1 665 . 8 1 1 A 58 58 LYS CB C 56 32.121 32.170 -0.049 1
1 669 . 8 1 1 A 58 58 LYS N N 56 125.479 124.720 0.759 1
1 670 . 8 1 1 A 59 59 TRP H H 57 7.827 8.249 -0.422 1
1 671 . 8 1 1 A 59 59 TRP HA H 57 4.664 4.531 0.133 1
1 680 . 8 1 1 A 59 59 TRP C C 57 178.868 179.268 -0.400 1
1 681 . 8 1 1 A 59 59 TRP CA C 57 58.897 59.872 -0.975 1
1 682 . 8 1 1 A 59 59 TRP CB C 57 28.036 28.101 -0.065 1
1 688 . 8 1 1 A 59 59 TRP N N 57 113.433 119.206 -5.773 1
1 690 . 8 1 1 A 60 60 ILE H H 58 6.458 7.273 -0.815 1
1 691 . 8 1 1 A 60 60 ILE HA H 58 3.325 3.486 -0.161 1
1 701 . 8 1 1 A 60 60 ILE C C 58 177.726 177.681 0.045 1
1 702 . 8 1 1 A 60 60 ILE CA C 58 64.314 64.264 0.050 1
1 703 . 8 1 1 A 60 60 ILE CB C 58 35.897 36.739 -0.842 1
1 707 . 8 1 1 A 60 60 ILE N N 58 124.379 122.399 1.980 1
1 708 . 8 1 1 A 61 61 GLN H H 59 7.622 8.696 -1.074 1
1 709 . 8 1 1 A 61 61 GLN HA H 59 3.763 3.892 -0.129 1
1 716 . 8 1 1 A 61 61 GLN C C 59 178.434 178.963 -0.529 1
1 717 . 8 1 1 A 61 61 GLN CA C 59 59.379 59.416 -0.037 1
1 718 . 8 1 1 A 61 61 GLN CB C 59 28.602 28.326 0.276 1
1 720 . 8 1 1 A 61 61 GLN N N 59 119.070 118.671 0.399 1
1 722 . 8 1 1 A 62 62 GLU H H 60 8.064 8.519 -0.455 1
1 723 . 8 1 1 A 62 62 GLU HA H 60 4.093 4.083 0.010 1
1 728 . 8 1 1 A 62 62 GLU C C 60 179.051 178.847 0.204 1
1 729 . 8 1 1 A 62 62 GLU CA C 60 59.659 59.471 0.188 1
1 730 . 8 1 1 A 62 62 GLU CB C 60 30.457 29.642 0.815 1
1 732 . 8 1 1 A 62 62 GLU N N 60 117.166 120.177 -3.011 1
1 733 . 8 1 1 A 63 63 TYR H H 61 7.913 7.695 0.218 1
1 734 . 8 1 1 A 63 63 TYR HA H 61 4.265 4.258 0.007 1
1 741 . 8 1 1 A 63 63 TYR C C 61 178.617 177.637 0.980 1
1 742 . 8 1 1 A 63 63 TYR CA C 61 61.184 61.573 -0.389 1
1 743 . 8 1 1 A 63 63 TYR CB C 61 39.461 38.836 0.625 1
1 746 . 8 1 1 A 63 63 TYR N N 61 121.271 122.365 -1.094 1
1 747 . 8 1 1 A 64 64 LEU H H 62 8.252 8.950 -0.698 1
1 748 . 8 1 1 A 64 64 LEU HA H 62 3.977 3.883 0.094 1
1 758 . 8 1 1 A 64 64 LEU C C 62 179.553 179.538 0.015 1
1 759 . 8 1 1 A 64 64 LEU CA C 62 58.014 58.212 -0.198 1
1 760 . 8 1 1 A 64 64 LEU CB C 62 42.397 41.678 0.719 1
1 764 . 8 1 1 A 64 64 LEU N N 62 116.299 120.172 -3.873 1
1 765 . 8 1 1 A 65 65 GLU H H 63 8.453 8.380 0.073 1
1 766 . 8 1 1 A 65 65 GLU HA H 63 3.853 4.047 -0.194 1
1 771 . 8 1 1 A 65 65 GLU C C 63 179.279 178.718 0.561 1
1 772 . 8 1 1 A 65 65 GLU CA C 63 60.301 59.482 0.819 1
1 773 . 8 1 1 A 65 65 GLU CB C 63 29.870 29.169 0.701 1
1 775 . 8 1 1 A 65 65 GLU N N 63 118.616 117.548 1.068 1
1 776 . 8 1 1 A 66 66 LYS H H 64 7.571 7.878 -0.307 1
1 777 . 8 1 1 A 66 66 LYS HA H 64 4.225 4.101 0.124 1
1 786 . 8 1 1 A 66 66 LYS C C 64 178.457 179.562 -1.105 1
1 787 . 8 1 1 A 66 66 LYS CA C 64 58.496 58.680 -0.184 1
1 788 . 8 1 1 A 66 66 LYS CB C 64 32.400 31.813 0.587 1
1 792 . 8 1 1 A 66 66 LYS N N 64 117.166 118.675 -1.509 1
1 793 . 8 1 1 A 67 67 CYS H H 65 7.916 7.505 0.411 1
1 794 . 8 1 1 A 67 67 CYS HA H 65 4.561 4.137 0.424 1
1 797 . 8 1 1 A 67 67 CYS C C 65 174.893 176.837 -1.944 1
1 798 . 8 1 1 A 67 67 CYS CA C 65 56.329 61.669 -5.340 1
1 799 . 8 1 1 A 67 67 CYS CB C 65 45.235 27.334 17.901 1
1 800 . 8 1 1 A 67 67 CYS N N 65 115.312 118.913 -3.601 1
1 801 . 8 1 1 A 68 68 LEU H H 66 7.556 7.810 -0.254 1
1 802 . 8 1 1 A 68 68 LEU HA H 66 4.520 3.852 0.668 1
1 812 . 8 1 1 A 68 68 LEU C C 66 176.812 179.056 -2.244 1
1 813 . 8 1 1 A 68 68 LEU CA C 66 55.366 58.156 -2.790 1
1 814 . 8 1 1 A 68 68 LEU CB C 66 43.278 41.513 1.765 1
1 818 . 8 1 1 A 68 68 LEU N N 66 120.930 121.088 -0.158 1
1 819 . 8 1 1 A 69 69 ASN H H 67 8.266 7.983 0.283 1
1 820 . 8 1 1 A 69 69 ASN HA H 67 4.681 4.585 0.096 1
1 825 . 8 1 1 A 69 69 ASN CA C 67 53.761 55.588 -1.827 1
1 826 . 8 1 1 A 69 69 ASN CB C 67 39.069 39.114 -0.045 1
1 827 . 8 1 1 A 69 69 ASN N N 67 120.279 116.889 3.390 1
1 852 . 8 2 2 B 4 4 GLU H H 102 8.376 7.682 0.694 1
1 853 . 8 2 2 B 4 4 GLU HA H 102 4.335 4.402 -0.067 1
1 858 . 8 2 2 B 4 4 GLU C C 102 177.132 176.224 0.908 1
1 859 . 8 2 2 B 4 4 GLU CA C 102 57.410 56.071 1.339 1
1 861 . 8 2 2 B 4 4 GLU N N 102 121.884 119.095 2.789 1
1 862 . 8 2 2 B 5 5 GLY H H 103 8.380 8.596 -0.216 1
1 863 . 8 2 2 B 5 5 GLY HA2 H 103 4.003 4.508 -0.505 1
1 864 . 8 2 2 B 5 5 GLY HA3 H 103 4.003 4.508 -0.505 1
1 865 . 8 2 2 B 5 5 GLY C C 103 174.207 174.644 -0.437 1
1 866 . 8 2 2 B 5 5 GLY CA C 103 45.750 44.165 1.585 1
1 867 . 8 2 2 B 5 5 GLY N N 103 110.055 107.647 2.408 1
1 868 . 8 2 2 B 6 6 ILE H H 104 7.851 8.652 -0.801 1
1 869 . 8 2 2 B 6 6 ILE HA H 104 4.305 4.086 0.219 1
1 879 . 8 2 2 B 6 6 ILE C C 104 176.401 176.296 0.105 1
1 880 . 8 2 2 B 6 6 ILE CA C 104 61.558 62.910 -1.352 1
1 881 . 8 2 2 B 6 6 ILE CB C 104 39.436 38.525 0.911 1
1 885 . 8 2 2 B 6 6 ILE N N 104 119.606 121.565 -1.959 1
1 886 . 8 2 2 B 7 7 SER H H 105 8.369 7.765 0.604 1
1 887 . 8 2 2 B 7 7 SER HA H 105 4.564 4.804 -0.240 1
1 890 . 8 2 2 B 7 7 SER C C 105 174.550 172.670 1.880 1
1 891 . 8 2 2 B 7 7 SER CA C 105 58.667 57.709 0.958 1
1 892 . 8 2 2 B 7 7 SER CB C 105 64.072 65.322 -1.250 1
1 893 . 8 2 2 B 7 7 SER N N 105 119.853 111.307 8.546 1
1 894 . 8 2 2 B 8 8 ILE H H 106 7.953 8.826 -0.873 1
1 895 . 8 2 2 B 8 8 ILE HA H 106 4.224 4.284 -0.060 1
1 905 . 8 2 2 B 8 8 ILE C C 106 175.921 175.898 0.023 1
1 906 . 8 2 2 B 8 8 ILE CA C 106 61.935 61.455 0.480 1
1 907 . 8 2 2 B 8 8 ILE CB C 106 39.436 38.055 1.381 1
1 911 . 8 2 2 B 8 8 ILE N N 106 121.730 122.468 -0.738 1
1 912 . 8 2 2 B 9 9 TYR H H 107 8.171 9.064 -0.893 1
1 913 . 8 2 2 B 9 9 TYR HA H 107 4.736 4.530 0.206 1
1 920 . 8 2 2 B 9 9 TYR C C 107 176.058 174.846 1.212 1
1 921 . 8 2 2 B 9 9 TYR CA C 107 58.165 57.695 0.470 1
1 922 . 8 2 2 B 9 9 TYR CB C 107 39.436 38.587 0.849 1
1 925 . 8 2 2 B 9 9 TYR N N 107 123.598 126.656 -3.058 1
1 926 . 8 2 2 B 10 10 THR H H 108 7.986 8.168 -0.182 1
1 927 . 8 2 2 B 10 10 THR HA H 108 4.452 4.303 0.149 1
1 932 . 8 2 2 B 10 10 THR C C 108 174.459 174.930 -0.471 1
1 933 . 8 2 2 B 10 10 THR CA C 108 62.061 62.802 -0.741 1
1 934 . 8 2 2 B 10 10 THR CB C 108 70.608 67.682 2.926 1
1 936 . 8 2 2 B 10 10 THR N N 108 115.642 111.241 4.401 1
1 937 . 8 2 2 B 11 11 SER H H 109 8.193 8.476 -0.283 1
1 938 . 8 2 2 B 11 11 SER HA H 109 4.526 4.363 0.163 1
1 941 . 8 2 2 B 11 11 SER C C 109 174.504 175.229 -0.725 1
1 942 . 8 2 2 B 11 11 SER CA C 109 58.919 61.582 -2.663 1
1 943 . 8 2 2 B 11 11 SER CB C 109 64.198 63.423 0.775 1
1 944 . 8 2 2 B 11 11 SER N N 109 117.597 121.052 -3.455 1
1 945 . 8 2 2 B 12 12 ASP H H 110 8.351 8.274 0.077 1
1 946 . 8 2 2 B 12 12 ASP HA H 110 4.650 4.524 0.126 1
1 949 . 8 2 2 B 12 12 ASP C C 110 176.058 176.080 -0.022 1
1 950 . 8 2 2 B 12 12 ASP CA C 110 55.022 56.809 -1.787 1
1 951 . 8 2 2 B 12 12 ASP CB C 110 41.825 40.360 1.465 1
1 952 . 8 2 2 B 12 12 ASP N N 110 122.020 121.140 0.880 1
1 953 . 8 2 2 B 13 13 ASN H H 111 8.230 8.714 -0.484 1
1 954 . 8 2 2 B 13 13 ASN HA H 111 4.745 4.650 0.095 1
1 957 . 8 2 2 B 13 13 ASN C C 111 175.030 173.746 1.284 1
1 958 . 8 2 2 B 13 13 ASN CA C 111 53.765 53.804 -0.039 1
1 959 . 8 2 2 B 13 13 ASN CB C 111 39.562 38.488 1.074 1
1 960 . 8 2 2 B 13 13 ASN N N 111 118.317 116.587 1.730 1
1 961 . 8 2 2 B 14 14 TYR H H 112 8.101 7.617 0.484 1
1 962 . 8 2 2 B 14 14 TYR HA H 112 4.645 5.293 -0.648 1
1 969 . 8 2 2 B 14 14 TYR C C 112 176.081 174.799 1.282 1
1 970 . 8 2 2 B 14 14 TYR CA C 112 58.793 56.246 2.547 1
1 971 . 8 2 2 B 14 14 TYR CB C 112 39.436 42.062 -2.626 1
1 974 . 8 2 2 B 14 14 TYR N N 112 121.125 118.482 2.643 1
1 975 . 8 2 2 B 15 15 THR H H 113 7.900 8.787 -0.887 1
1 976 . 8 2 2 B 15 15 THR HA H 113 4.332 5.048 -0.716 1
1 981 . 8 2 2 B 15 15 THR C C 113 174.413 173.937 0.476 1
1 982 . 8 2 2 B 15 15 THR CA C 113 62.187 61.639 0.548 1
1 983 . 8 2 2 B 15 15 THR CB C 113 70.341 71.168 -0.827 1
1 985 . 8 2 2 B 15 15 THR N N 113 116.394 116.550 -0.156 1
1 986 . 8 2 2 B 16 16 GLU H H 114 8.283 8.596 -0.313 1
1 987 . 8 2 2 B 16 16 GLU HA H 114 4.275 4.508 -0.233 1
1 992 . 8 2 2 B 16 16 GLU C C 114 176.766 177.813 -1.047 1
1 993 . 8 2 2 B 16 16 GLU CA C 114 57.410 56.911 0.499 1
1 994 . 8 2 2 B 16 16 GLU CB C 114 30.638 31.082 -0.444 1
1 996 . 8 2 2 B 16 16 GLU N N 114 123.052 122.749 0.303 1
1 997 . 8 2 2 B 17 17 GLU H H 115 8.370 8.025 0.345 1
1 998 . 8 2 2 B 17 17 GLU HA H 115 4.325 3.962 0.363 1
1 1003 . 8 2 2 B 17 17 GLU C C 115 176.880 174.751 2.129 1
1 1004 . 8 2 2 B 17 17 GLU CA C 115 57.410 59.382 -1.972 1
1 1005 . 8 2 2 B 17 17 GLU CB C 115 30.512 27.672 2.840 1
1 1007 . 8 2 2 B 17 17 GLU N N 115 121.688 115.273 6.415 1
1 1008 . 8 2 2 B 18 18 MET H H 116 8.314 8.262 0.052 1
1 1009 . 8 2 2 B 18 18 MET HA H 116 4.509 4.762 -0.253 1
1 1014 . 8 2 2 B 18 18 MET C C 116 177.086 174.556 2.530 1
1 1015 . 8 2 2 B 18 18 MET CA C 116 56.279 55.053 1.226 1
1 1016 . 8 2 2 B 18 18 MET CB C 116 33.026 34.867 -1.841 1
1 1017 . 8 2 2 B 18 18 MET N N 116 121.270 115.800 5.470 1
1 1018 . 8 2 2 B 19 19 GLY H H 117 8.384 8.516 -0.132 1
1 1019 . 8 2 2 B 19 19 GLY HA2 H 117 4.061 4.226 -0.165 1
1 1020 . 8 2 2 B 19 19 GLY HA3 H 117 4.061 4.228 -0.167 1
1 1021 . 8 2 2 B 19 19 GLY C C 117 174.481 174.073 0.408 1
1 1022 . 8 2 2 B 19 19 GLY CA C 117 45.847 45.536 0.311 1
1 1023 . 8 2 2 B 19 19 GLY N N 117 110.055 111.877 -1.822 1
1 1024 . 8 2 2 B 20 20 SER H H 118 8.250 8.341 -0.091 1
1 1025 . 8 2 2 B 20 20 SER HA H 118 4.495 4.877 -0.382 1
1 1028 . 8 2 2 B 20 20 SER C C 118 175.327 174.356 0.971 1
1 1029 . 8 2 2 B 20 20 SER CA C 118 58.919 57.292 1.627 1
1 1030 . 8 2 2 B 20 20 SER CB C 118 64.575 64.235 0.340 1
1 1031 . 8 2 2 B 20 20 SER N N 118 115.664 115.029 0.635 1
1 1032 . 8 2 2 B 21 21 GLY H H 119 8.429 9.005 -0.576 1
1 1033 . 8 2 2 B 21 21 GLY HA2 H 119 4.000 4.213 -0.213 1
1 1034 . 8 2 2 B 21 21 GLY HA3 H 119 4.000 4.216 -0.216 1
1 1035 . 8 2 2 B 21 21 GLY C C 119 174.002 172.464 1.538 1
1 1036 . 8 2 2 B 21 21 GLY CA C 119 45.721 44.447 1.274 1
1 1037 . 8 2 2 B 21 21 GLY N N 119 110.872 111.427 -0.555 1
1 1038 . 8 2 2 B 22 22 ASP H H 120 8.127 8.462 -0.335 1
1 1039 . 8 2 2 B 22 22 ASP HA H 120 4.634 5.198 -0.564 1
1 1042 . 8 2 2 B 22 22 ASP C C 120 176.355 176.049 0.306 1
1 1043 . 8 2 2 B 22 22 ASP CA C 120 54.771 52.301 2.470 1
1 1044 . 8 2 2 B 22 22 ASP CB C 120 41.699 42.890 -1.191 1
1 1045 . 8 2 2 B 22 22 ASP N N 120 120.530 121.140 -0.610 1
1 1046 . 8 2 2 B 23 23 TYR H H 121 8.097 8.842 -0.745 1
1 1047 . 8 2 2 B 23 23 TYR HA H 121 4.555 4.380 0.175 1
1 1054 . 8 2 2 B 23 23 TYR C C 121 176.058 174.738 1.320 1
1 1055 . 8 2 2 B 23 23 TYR CA C 121 58.667 60.253 -1.586 1
1 1056 . 8 2 2 B 23 23 TYR CB C 121 39.311 39.977 -0.666 1
1 1059 . 8 2 2 B 23 23 TYR N N 121 120.584 120.448 0.136 1
1 1060 . 8 2 2 B 24 24 ASP H H 122 8.224 7.935 0.289 1
1 1061 . 8 2 2 B 24 24 ASP HA H 122 4.621 5.061 -0.440 1
1 1064 . 8 2 2 B 24 24 ASP C C 122 176.835 175.089 1.746 1
1 1065 . 8 2 2 B 24 24 ASP CA C 122 55.022 54.126 0.896 1
1 1066 . 8 2 2 B 24 24 ASP CB C 122 41.825 43.623 -1.798 1
1 1067 . 8 2 2 B 24 24 ASP N N 122 121.815 118.538 3.277 1
1 1068 . 8 2 2 B 25 25 SER H H 123 8.137 8.515 -0.378 1
1 1069 . 8 2 2 B 25 25 SER HA H 123 4.394 4.289 0.105 1
1 1072 . 8 2 2 B 25 25 SER C C 123 175.075 173.388 1.687 1
1 1073 . 8 2 2 B 25 25 SER CA C 123 59.547 60.640 -1.093 1
1 1074 . 8 2 2 B 25 25 SER CB C 123 63.540 61.993 1.547 1
1 1075 . 8 2 2 B 25 25 SER N N 123 116.405 122.030 -5.625 1
1 1076 . 8 2 2 B 26 26 MET H H 124 8.221 8.306 -0.085 1
1 1077 . 8 2 2 B 26 26 MET HA H 124 4.500 5.127 -0.627 1
1 1082 . 8 2 2 B 26 26 MET C C 124 176.355 174.050 2.305 1
1 1083 . 8 2 2 B 26 26 MET CA C 124 56.279 53.929 2.350 1
1 1084 . 8 2 2 B 26 26 MET CB C 124 32.900 35.681 -2.781 1
1 1086 . 8 2 2 B 26 26 MET N N 124 121.210 117.595 3.615 1
1 1087 . 8 2 2 B 27 27 LYS H H 125 7.991 8.456 -0.465 1
1 1088 . 8 2 2 B 27 27 LYS HA H 125 4.352 5.188 -0.836 1
1 1097 . 8 2 2 B 27 27 LYS C C 125 176.355 175.024 1.331 1
1 1098 . 8 2 2 B 27 27 LYS CA C 125 56.656 54.638 2.018 1
1 1099 . 8 2 2 B 27 27 LYS CB C 125 33.529 37.160 -3.631 1
1 1103 . 8 2 2 B 27 27 LYS N N 125 121.457 118.869 2.588 1
1 1104 . 8 2 2 B 28 28 GLU H H 126 8.216 8.971 -0.755 1
1 1105 . 8 2 2 B 28 28 GLU N N 126 122.890 118.784 4.106 1
1 1106 . 8 2 2 B 29 29 PRO HA H 127 4.396 4.788 -0.392 1
1 1113 . 8 2 2 B 29 29 PRO C C 127 176.812 176.110 0.702 1
1 1114 . 8 2 2 B 29 29 PRO CA C 127 63.821 62.464 1.357 1
1 1115 . 8 2 2 B 29 29 PRO CB C 127 32.272 33.158 -0.886 1
1 1118 . 8 2 2 B 30 30 ALA H H 128 8.282 8.517 -0.235 1
1 1119 . 8 2 2 B 30 30 ALA HA H 128 4.316 4.610 -0.294 1
1 1123 . 8 2 2 B 30 30 ALA C C 128 177.589 178.414 -0.825 1
1 1124 . 8 2 2 B 30 30 ALA CA C 128 53.192 50.781 2.411 1
1 1125 . 8 2 2 B 30 30 ALA CB C 128 19.703 19.271 0.432 1
1 1126 . 8 2 2 B 30 30 ALA N N 128 123.577 122.849 0.728 1
1 1127 . 8 2 2 B 31 31 PHE H H 129 8.035 8.022 0.013 1
1 1128 . 8 2 2 B 31 31 PHE HA H 129 4.637 4.002 0.635 1
1 1135 . 8 2 2 B 31 31 PHE C C 129 175.624 174.661 0.963 1
1 1136 . 8 2 2 B 31 31 PHE CA C 129 58.039 62.118 -4.079 1
1 1137 . 8 2 2 B 31 31 PHE CB C 129 40.065 36.830 3.235 1
1 1140 . 8 2 2 B 31 31 PHE N N 129 118.994 113.141 5.853 1
1 1141 . 8 2 2 B 32 32 ARG H H 130 8.066 8.212 -0.146 1
1 1142 . 8 2 2 B 32 32 ARG HA H 130 4.351 4.844 -0.493 1
1 1149 . 8 2 2 B 32 32 ARG C C 130 175.875 174.872 1.003 1
1 1150 . 8 2 2 B 32 32 ARG CA C 130 56.154 54.776 1.378 1
1 1151 . 8 2 2 B 32 32 ARG CB C 130 31.643 33.013 -1.370 1
1 1154 . 8 2 2 B 32 32 ARG N N 130 123.094 119.368 3.726 1
1 1155 . 8 2 2 B 33 33 GLU H H 131 8.389 9.129 -0.740 1
1 1156 . 8 2 2 B 33 33 GLU HA H 131 4.295 5.193 -0.898 1
1 1161 . 8 2 2 B 33 33 GLU C C 131 176.766 175.026 1.740 1
1 1162 . 8 2 2 B 33 33 GLU CA C 131 57.285 54.348 2.937 1
1 1163 . 8 2 2 B 33 33 GLU CB C 131 30.512 33.842 -3.330 1
1 1165 . 8 2 2 B 33 33 GLU N N 131 122.719 117.912 4.807 1
1 1166 . 8 2 2 B 34 34 GLU H H 132 8.526 8.954 -0.428 1
1 1167 . 8 2 2 B 34 34 GLU HA H 132 4.321 5.046 -0.725 1
1 1172 . 8 2 2 B 34 34 GLU C C 132 176.560 174.472 2.088 1
1 1173 . 8 2 2 B 34 34 GLU CA C 132 57.400 54.616 2.784 1
1 1174 . 8 2 2 B 34 34 GLU CB C 132 30.512 32.753 -2.241 1
1 1176 . 8 2 2 B 34 34 GLU N N 132 122.122 119.958 2.164 1
1 1177 . 8 2 2 B 35 35 ASN H H 133 8.379 8.992 -0.613 1
1 1178 . 8 2 2 B 35 35 ASN HA H 133 4.712 4.968 -0.256 1
1 1181 . 8 2 2 B 35 35 ASN C C 133 175.258 174.874 0.384 1
1 1182 . 8 2 2 B 35 35 ASN CA C 133 53.765 51.984 1.781 1
1 1183 . 8 2 2 B 35 35 ASN CB C 133 39.562 39.454 0.108 1
1 1184 . 8 2 2 B 35 35 ASN N N 133 119.552 123.693 -4.141 1
1 1185 . 8 2 2 B 36 36 ALA H H 134 8.175 8.459 -0.284 1
1 1186 . 8 2 2 B 36 36 ALA HA H 134 4.308 4.916 -0.608 1
1 1190 . 8 2 2 B 36 36 ALA C C 134 177.520 176.698 0.822 1
1 1191 . 8 2 2 B 36 36 ALA CA C 134 53.192 51.227 1.965 1
1 1192 . 8 2 2 B 36 36 ALA CB C 134 19.703 19.433 0.270 1
1 1193 . 8 2 2 B 36 36 ALA N N 134 124.376 129.085 -4.709 1
1 1194 . 8 2 2 B 37 37 ASN H H 135 8.238 7.891 0.347 1
1 1195 . 8 2 2 B 37 37 ASN HA H 135 4.713 4.688 0.025 1
1 1198 . 8 2 2 B 37 37 ASN C C 135 175.144 173.697 1.447 1
1 1199 . 8 2 2 B 37 37 ASN CA C 135 53.640 52.659 0.981 1
1 1200 . 8 2 2 B 37 37 ASN CB C 135 39.311 37.362 1.949 1
1 1201 . 8 2 2 B 37 37 ASN N N 135 117.103 118.658 -1.555 1
1 1202 . 8 2 2 B 38 38 PHE H H 136 7.997 8.662 -0.665 1
1 1203 . 8 2 2 B 38 38 PHE HA H 136 4.678 5.044 -0.366 1
1 1210 . 8 2 2 B 38 38 PHE C C 136 175.601 174.639 0.962 1
1 1211 . 8 2 2 B 38 38 PHE CA C 136 58.165 56.427 1.738 1
1 1212 . 8 2 2 B 38 38 PHE CB C 136 39.939 41.038 -1.099 1
1 1215 . 8 2 2 B 38 38 PHE N N 136 120.229 125.239 -5.010 1
1 1216 . 8 2 2 B 39 39 ASN H H 137 8.272 8.804 -0.532 1
1 1217 . 8 2 2 B 39 39 ASN HA H 137 4.752 5.225 -0.473 1
1 1220 . 8 2 2 B 39 39 ASN C C 137 174.047 174.640 -0.593 1
1 1221 . 8 2 2 B 39 39 ASN CA C 137 53.891 53.100 0.791 1
1 1222 . 8 2 2 B 39 39 ASN CB C 137 39.688 39.062 0.626 1
1 1223 . 8 2 2 B 39 39 ASN N N 137 120.594 123.377 -2.783 1
1 3 . 9 1 1 A 4 4 PRO HA H 2 4.509 4.886 -0.377 1
1 10 . 9 1 1 A 4 4 PRO C C 2 177.132 175.928 1.204 1
1 11 . 9 1 1 A 4 4 PRO CA C 2 63.529 62.330 1.199 1
1 12 . 9 1 1 A 4 4 PRO CB C 2 32.476 32.576 -0.100 1
1 15 . 9 1 1 A 5 5 VAL H H 3 8.201 8.627 -0.426 1
1 16 . 9 1 1 A 5 5 VAL HA H 3 4.152 4.460 -0.308 1
1 24 . 9 1 1 A 5 5 VAL C C 3 176.423 174.214 2.209 1
1 25 . 9 1 1 A 5 5 VAL CA C 3 62.873 61.035 1.838 1
1 26 . 9 1 1 A 5 5 VAL CB C 3 33.455 32.804 0.651 1
1 28 . 9 1 1 A 5 5 VAL N N 3 120.488 121.115 -0.627 1
1 29 . 9 1 1 A 6 6 SER H H 4 8.276 8.734 -0.458 1
1 30 . 9 1 1 A 6 6 SER HA H 4 4.494 5.008 -0.514 1
1 33 . 9 1 1 A 6 6 SER C C 4 174.687 173.336 1.351 1
1 34 . 9 1 1 A 6 6 SER CA C 4 58.375 57.925 0.450 1
1 35 . 9 1 1 A 6 6 SER CB C 4 64.295 63.795 0.500 1
1 36 . 9 1 1 A 6 6 SER N N 4 119.000 126.524 -7.524 1
1 37 . 9 1 1 A 7 7 LEU H H 5 8.238 8.909 -0.671 1
1 38 . 9 1 1 A 7 7 LEU HA H 5 4.406 4.645 -0.239 1
1 44 . 9 1 1 A 7 7 LEU C C 5 177.406 175.569 1.837 1
1 45 . 9 1 1 A 7 7 LEU CA C 5 55.766 54.241 1.525 1
1 46 . 9 1 1 A 7 7 LEU CB C 5 43.083 40.281 2.802 1
1 48 . 9 1 1 A 7 7 LEU N N 5 124.704 128.377 -3.673 1
1 49 . 9 1 1 A 8 8 SER H H 6 8.148 7.857 0.291 1
1 50 . 9 1 1 A 8 8 SER HA H 6 4.438 4.853 -0.415 1
1 53 . 9 1 1 A 8 8 SER C C 6 174.321 172.275 2.046 1
1 54 . 9 1 1 A 8 8 SER CA C 6 58.718 57.482 1.236 1
1 55 . 9 1 1 A 8 8 SER CB C 6 64.295 67.064 -2.769 1
1 56 . 9 1 1 A 8 8 SER N N 6 115.960 118.287 -2.327 1
1 57 . 9 1 1 A 9 9 TYR H H 7 7.954 8.783 -0.829 1
1 58 . 9 1 1 A 9 9 TYR HA H 7 4.585 4.715 -0.130 1
1 65 . 9 1 1 A 9 9 TYR C C 7 175.532 175.544 -0.012 1
1 66 . 9 1 1 A 9 9 TYR CA C 7 58.335 56.904 1.431 1
1 67 . 9 1 1 A 9 9 TYR CB C 7 39.474 36.718 2.756 1
1 70 . 9 1 1 A 9 9 TYR N N 7 121.884 120.258 1.626 1
1 71 . 9 1 1 A 10 10 ARG H H 8 8.117 8.197 -0.080 1
1 72 . 9 1 1 A 10 10 ARG HA H 8 4.349 4.860 -0.511 1
1 79 . 9 1 1 A 10 10 ARG C C 8 175.898 175.000 0.898 1
1 80 . 9 1 1 A 10 10 ARG CA C 8 56.048 54.011 2.037 1
1 81 . 9 1 1 A 10 10 ARG CB C 8 31.492 33.459 -1.967 1
1 84 . 9 1 1 A 10 10 ARG N N 8 121.977 120.975 1.002 1
1 85 . 9 1 1 A 11 11 CYS H H 9 8.127 8.741 -0.614 1
1 86 . 9 1 1 A 11 11 CYS HA H 9 5.004 4.950 0.054 1
1 89 . 9 1 1 A 11 11 CYS C C 9 177.771 174.521 3.250 1
1 90 . 9 1 1 A 11 11 CYS CA C 9 53.192 55.059 -1.867 1
1 91 . 9 1 1 A 11 11 CYS CB C 9 40.897 42.855 -1.958 1
1 92 . 9 1 1 A 11 11 CYS N N 9 121.209 119.943 1.266 1
1 93 . 9 1 1 A 12 12 PRO HA H 10 4.340 4.353 -0.013 1
1 100 . 9 1 1 A 12 12 PRO CA C 10 65.478 64.566 0.912 1
1 101 . 9 1 1 A 12 12 PRO CB C 10 32.904 31.599 1.305 1
1 104 . 9 1 1 A 13 13 CYS H H 11 8.662 8.050 0.612 1
1 105 . 9 1 1 A 13 13 CYS C C 11 174.618 174.003 0.615 1
1 106 . 9 1 1 A 13 13 CYS N N 11 114.595 116.374 -1.779 1
1 107 . 9 1 1 A 14 14 ARG H H 12 8.236 8.935 -0.699 1
1 108 . 9 1 1 A 14 14 ARG HA H 12 4.075 4.152 -0.077 1
1 115 . 9 1 1 A 14 14 ARG C C 12 175.098 175.357 -0.259 1
1 116 . 9 1 1 A 14 14 ARG CA C 12 57.370 57.494 -0.124 1
1 117 . 9 1 1 A 14 14 ARG CB C 12 31.631 31.360 0.271 1
1 120 . 9 1 1 A 14 14 ARG N N 12 122.779 123.983 -1.204 1
1 121 . 9 1 1 A 15 15 PHE H H 13 7.603 7.782 -0.179 1
1 122 . 9 1 1 A 15 15 PHE HA H 13 4.515 5.328 -0.813 1
1 129 . 9 1 1 A 15 15 PHE C C 13 174.162 175.093 -0.931 1
1 130 . 9 1 1 A 15 15 PHE CA C 13 56.289 56.075 0.214 1
1 131 . 9 1 1 A 15 15 PHE CB C 13 41.320 42.481 -1.161 1
1 134 . 9 1 1 A 15 15 PHE N N 13 116.797 114.623 2.174 1
1 135 . 9 1 1 A 16 16 PHE H H 14 8.112 8.902 -0.790 1
1 136 . 9 1 1 A 16 16 PHE HA H 14 4.783 5.761 -0.978 1
1 143 . 9 1 1 A 16 16 PHE C C 14 175.441 173.188 2.253 1
1 144 . 9 1 1 A 16 16 PHE CA C 14 55.767 55.242 0.525 1
1 145 . 9 1 1 A 16 16 PHE CB C 14 41.320 42.784 -1.464 1
1 148 . 9 1 1 A 16 16 PHE N N 14 118.930 117.679 1.251 1
1 149 . 9 1 1 A 17 17 GLU H H 15 8.820 9.638 -0.818 1
1 150 . 9 1 1 A 17 17 GLU HA H 15 4.616 4.720 -0.104 1
1 155 . 9 1 1 A 17 17 GLU C C 15 176.857 176.531 0.326 1
1 156 . 9 1 1 A 17 17 GLU CA C 15 56.289 55.116 1.173 1
1 157 . 9 1 1 A 17 17 GLU CB C 15 31.173 32.090 -0.917 1
1 159 . 9 1 1 A 17 17 GLU N N 15 122.825 120.995 1.830 1
1 160 . 9 1 1 A 18 18 SER H H 16 8.746 8.932 -0.186 1
1 161 . 9 1 1 A 18 18 SER HA H 16 4.759 4.677 0.082 1
1 164 . 9 1 1 A 18 18 SER C C 16 177.497 174.264 3.233 1
1 165 . 9 1 1 A 18 18 SER CA C 16 59.328 60.109 -0.781 1
1 166 . 9 1 1 A 18 18 SER CB C 16 64.515 63.992 0.523 1
1 167 . 9 1 1 A 18 18 SER N N 16 118.860 119.962 -1.102 1
1 168 . 9 1 1 A 19 19 HIS H H 17 8.761 8.085 0.676 1
1 169 . 9 1 1 A 19 19 HIS HA H 17 4.859 4.885 -0.026 1
1 174 . 9 1 1 A 19 19 HIS C C 17 174.618 173.306 1.312 1
1 175 . 9 1 1 A 19 19 HIS CA C 17 56.449 54.424 2.025 1
1 176 . 9 1 1 A 19 19 HIS CB C 17 29.870 29.333 0.537 1
1 179 . 9 1 1 A 19 19 HIS N N 17 120.535 119.880 0.655 1
1 180 . 9 1 1 A 20 20 VAL H H 18 7.211 8.800 -1.589 1
1 181 . 9 1 1 A 20 20 VAL HA H 18 4.160 4.575 -0.415 1
1 189 . 9 1 1 A 20 20 VAL C C 18 174.436 175.390 -0.954 1
1 190 . 9 1 1 A 20 20 VAL CA C 18 62.167 60.508 1.659 1
1 191 . 9 1 1 A 20 20 VAL CB C 18 34.426 34.569 -0.143 1
1 193 . 9 1 1 A 20 20 VAL N N 18 120.872 127.217 -6.345 1
1 194 . 9 1 1 A 21 21 ALA H H 19 8.535 8.802 -0.267 1
1 195 . 9 1 1 A 21 21 ALA HA H 19 4.402 4.190 0.212 1
1 199 . 9 1 1 A 21 21 ALA C C 19 177.657 178.615 -0.958 1
1 200 . 9 1 1 A 21 21 ALA CA C 19 51.193 52.337 -1.144 1
1 201 . 9 1 1 A 21 21 ALA CB C 19 19.790 19.011 0.779 1
1 202 . 9 1 1 A 21 21 ALA N N 19 131.339 128.000 3.339 1
1 203 . 9 1 1 A 22 22 ARG H H 20 7.815 8.405 -0.590 1
1 204 . 9 1 1 A 22 22 ARG HA H 20 2.495 3.329 -0.834 1
1 211 . 9 1 1 A 22 22 ARG C C 20 178.365 177.031 1.334 1
1 212 . 9 1 1 A 22 22 ARG CA C 20 59.379 57.824 1.555 1
1 213 . 9 1 1 A 22 22 ARG CB C 20 29.572 29.262 0.310 1
1 216 . 9 1 1 A 22 22 ARG N N 20 124.365 124.795 -0.430 1
1 217 . 9 1 1 A 23 23 ALA H H 21 8.135 7.448 0.687 1
1 218 . 9 1 1 A 23 23 ALA HA H 21 4.070 4.093 -0.023 1
1 222 . 9 1 1 A 23 23 ALA C C 21 178.000 177.805 0.195 1
1 223 . 9 1 1 A 23 23 ALA CA C 21 54.100 53.062 1.038 1
1 224 . 9 1 1 A 23 23 ALA CB C 21 18.713 18.922 -0.209 1
1 225 . 9 1 1 A 23 23 ALA N N 21 117.156 120.996 -3.840 1
1 226 . 9 1 1 A 24 24 ASN H H 22 7.712 7.953 -0.241 1
1 227 . 9 1 1 A 24 24 ASN HA H 22 5.008 4.805 0.203 1
1 232 . 9 1 1 A 24 24 ASN C C 22 174.938 174.551 0.387 1
1 233 . 9 1 1 A 24 24 ASN CA C 22 52.869 52.327 0.542 1
1 234 . 9 1 1 A 24 24 ASN CB C 22 40.573 38.810 1.763 1
1 235 . 9 1 1 A 24 24 ASN N N 22 112.819 115.172 -2.353 1
1 237 . 9 1 1 A 25 25 VAL H H 23 7.508 7.379 0.129 1
1 238 . 9 1 1 A 25 25 VAL HA H 23 4.896 4.495 0.401 1
1 246 . 9 1 1 A 25 25 VAL C C 23 175.829 174.750 1.079 1
1 247 . 9 1 1 A 25 25 VAL CA C 23 59.870 59.649 0.221 1
1 248 . 9 1 1 A 25 25 VAL CB C 23 35.396 34.273 1.123 1
1 251 . 9 1 1 A 25 25 VAL N N 23 119.721 120.112 -0.391 1
1 252 . 9 1 1 A 26 26 LYS H H 24 9.483 9.282 0.201 1
1 253 . 9 1 1 A 26 26 LYS HA H 24 4.350 4.439 -0.089 1
1 262 . 9 1 1 A 26 26 LYS C C 24 176.606 176.286 0.320 1
1 263 . 9 1 1 A 26 26 LYS CA C 24 58.977 56.778 2.199 1
1 264 . 9 1 1 A 26 26 LYS CB C 24 34.567 33.972 0.595 1
1 268 . 9 1 1 A 26 26 LYS N N 24 128.029 125.004 3.025 1
1 269 . 9 1 1 A 27 27 HIS H H 25 7.223 7.654 -0.431 1
1 270 . 9 1 1 A 27 27 HIS HA H 25 4.979 4.874 0.105 1
1 275 . 9 1 1 A 27 27 HIS C C 25 178.434 172.521 5.913 1
1 276 . 9 1 1 A 27 27 HIS CA C 25 55.406 54.723 0.683 1
1 277 . 9 1 1 A 27 27 HIS CB C 25 32.904 31.047 1.857 1
1 280 . 9 1 1 A 27 27 HIS N N 25 109.556 113.836 -4.280 1
1 281 . 9 1 1 A 28 28 LEU H H 26 8.149 8.688 -0.539 1
1 282 . 9 1 1 A 28 28 LEU HA H 26 5.190 5.254 -0.064 1
1 292 . 9 1 1 A 28 28 LEU C C 26 175.510 175.138 0.372 1
1 293 . 9 1 1 A 28 28 LEU CA C 26 53.480 53.378 0.102 1
1 294 . 9 1 1 A 28 28 LEU CB C 26 45.235 45.084 0.151 1
1 298 . 9 1 1 A 28 28 LEU N N 26 117.106 119.761 -2.655 1
1 299 . 9 1 1 A 29 29 LYS H H 27 9.578 9.143 0.435 1
1 300 . 9 1 1 A 29 29 LYS HA H 27 5.385 5.045 0.340 1
1 309 . 9 1 1 A 29 29 LYS C C 27 174.801 174.708 0.093 1
1 310 . 9 1 1 A 29 29 LYS CA C 27 55.165 54.688 0.477 1
1 311 . 9 1 1 A 29 29 LYS CB C 27 35.253 35.156 0.097 1
1 315 . 9 1 1 A 29 29 LYS N N 27 123.488 123.681 -0.193 1
1 316 . 9 1 1 A 30 30 ILE H H 28 9.133 9.052 0.081 1
1 317 . 9 1 1 A 30 30 ILE HA H 28 4.925 4.944 -0.019 1
1 327 . 9 1 1 A 30 30 ILE C C 28 176.949 175.096 1.853 1
1 328 . 9 1 1 A 30 30 ILE CA C 28 60.542 59.623 0.919 1
1 329 . 9 1 1 A 30 30 ILE CB C 28 39.600 39.661 -0.061 1
1 333 . 9 1 1 A 30 30 ILE N N 28 123.846 127.710 -3.864 1
1 334 . 9 1 1 A 31 31 LEU H H 29 8.830 8.807 0.023 1
1 335 . 9 1 1 A 31 31 LEU HA H 29 4.533 4.879 -0.346 1
1 344 . 9 1 1 A 31 31 LEU C C 29 176.012 173.959 2.053 1
1 345 . 9 1 1 A 31 31 LEU CA C 29 55.406 54.422 0.984 1
1 346 . 9 1 1 A 31 31 LEU CB C 29 43.180 46.192 -3.012 1
1 349 . 9 1 1 A 31 31 LEU N N 29 128.649 127.831 0.818 1
1 350 . 9 1 1 A 32 32 ASN H H 30 8.211 8.865 -0.654 1
1 351 . 9 1 1 A 32 32 ASN HA H 30 5.014 5.114 -0.100 1
1 356 . 9 1 1 A 32 32 ASN C C 30 174.664 174.893 -0.229 1
1 357 . 9 1 1 A 32 32 ASN CA C 30 52.517 51.804 0.713 1
1 358 . 9 1 1 A 32 32 ASN CB C 30 38.776 39.941 -1.165 1
1 359 . 9 1 1 A 32 32 ASN N N 30 120.791 126.864 -6.073 1
1 361 . 9 1 1 A 33 33 THR H H 31 7.896 9.099 -1.203 1
1 362 . 9 1 1 A 33 33 THR HA H 31 4.842 5.019 -0.177 1
1 367 . 9 1 1 A 33 33 THR CA C 31 58.369 59.625 -1.256 1
1 368 . 9 1 1 A 33 33 THR CB C 31 70.011 69.201 0.810 1
1 370 . 9 1 1 A 33 33 THR N N 31 115.811 117.013 -1.202 1
1 371 . 9 1 1 A 34 34 PRO HA H 32 4.317 4.495 -0.178 1
1 378 . 9 1 1 A 34 34 PRO CA C 32 65.164 65.328 -0.164 1
1 379 . 9 1 1 A 34 34 PRO CB C 32 32.484 32.180 0.304 1
1 382 . 9 1 1 A 35 35 ASN H H 33 8.256 8.372 -0.116 1
1 383 . 9 1 1 A 35 35 ASN HA H 33 4.651 4.610 0.041 1
1 388 . 9 1 1 A 35 35 ASN C C 33 174.710 174.806 -0.096 1
1 389 . 9 1 1 A 35 35 ASN CA C 33 54.532 54.736 -0.204 1
1 390 . 9 1 1 A 35 35 ASN CB C 33 39.167 38.134 1.033 1
1 391 . 9 1 1 A 35 35 ASN N N 33 120.081 114.405 5.676 1
1 393 . 9 1 1 A 36 36 CYS H H 34 7.548 7.577 -0.029 1
1 394 . 9 1 1 A 36 36 CYS HA H 34 4.693 4.984 -0.291 1
1 397 . 9 1 1 A 36 36 CYS C C 34 173.865 173.043 0.822 1
1 398 . 9 1 1 A 36 36 CYS CA C 34 55.447 54.863 0.584 1
1 399 . 9 1 1 A 36 36 CYS CB C 34 45.228 47.764 -2.536 1
1 400 . 9 1 1 A 36 36 CYS N N 34 117.076 115.999 1.077 1
1 401 . 9 1 1 A 37 37 ALA H H 35 8.469 8.405 0.064 1
1 402 . 9 1 1 A 37 37 ALA HA H 35 4.252 4.272 -0.020 1
1 406 . 9 1 1 A 37 37 ALA C C 35 176.423 177.146 -0.723 1
1 407 . 9 1 1 A 37 37 ALA CA C 35 53.537 51.966 1.571 1
1 408 . 9 1 1 A 37 37 ALA CB C 35 19.202 20.171 -0.969 1
1 409 . 9 1 1 A 37 37 ALA N N 35 125.153 125.006 0.147 1
1 410 . 9 1 1 A 38 38 CYS H H 36 8.315 8.389 -0.074 1
1 411 . 9 1 1 A 38 38 CYS HA H 36 4.211 4.225 -0.014 1
1 414 . 9 1 1 A 38 38 CYS C C 36 173.705 173.773 -0.068 1
1 415 . 9 1 1 A 38 38 CYS CA C 36 58.616 60.107 -1.491 1
1 416 . 9 1 1 A 38 38 CYS CB C 36 45.705 27.797 17.908 1
1 417 . 9 1 1 A 38 38 CYS N N 36 118.837 118.318 0.519 1
1 418 . 9 1 1 A 39 39 GLN H H 37 8.926 8.618 0.308 1
1 419 . 9 1 1 A 39 39 GLN HA H 37 4.609 4.942 -0.333 1
1 426 . 9 1 1 A 39 39 GLN C C 37 173.636 174.277 -0.641 1
1 427 . 9 1 1 A 39 39 GLN CA C 37 54.603 54.150 0.453 1
1 428 . 9 1 1 A 39 39 GLN CB C 37 31.761 32.237 -0.476 1
1 430 . 9 1 1 A 39 39 GLN N N 37 128.567 125.966 2.601 1
1 432 . 9 1 1 A 40 40 ILE H H 38 8.874 8.295 0.579 1
1 433 . 9 1 1 A 40 40 ILE HA H 38 5.093 5.238 -0.145 1
1 443 . 9 1 1 A 40 40 ILE C C 38 174.390 173.990 0.400 1
1 444 . 9 1 1 A 40 40 ILE CA C 38 60.582 60.073 0.509 1
1 445 . 9 1 1 A 40 40 ILE CB C 38 40.048 40.973 -0.925 1
1 449 . 9 1 1 A 40 40 ILE N N 38 123.962 125.714 -1.752 1
1 450 . 9 1 1 A 41 41 VAL H H 39 9.120 9.468 -0.348 1
1 451 . 9 1 1 A 41 41 VAL HA H 39 4.905 5.027 -0.122 1
1 459 . 9 1 1 A 41 41 VAL C C 39 175.487 173.946 1.541 1
1 460 . 9 1 1 A 41 41 VAL CA C 39 59.980 59.585 0.395 1
1 461 . 9 1 1 A 41 41 VAL CB C 39 35.868 34.116 1.752 1
1 464 . 9 1 1 A 41 41 VAL N N 39 126.354 128.191 -1.837 1
1 465 . 9 1 1 A 42 42 ALA H H 40 9.513 9.272 0.241 1
1 466 . 9 1 1 A 42 42 ALA HA H 40 5.154 5.437 -0.283 1
1 470 . 9 1 1 A 42 42 ALA C C 40 175.944 176.026 -0.082 1
1 471 . 9 1 1 A 42 42 ALA CA C 40 50.591 49.904 0.687 1
1 472 . 9 1 1 A 42 42 ALA CB C 40 22.432 22.461 -0.029 1
1 473 . 9 1 1 A 42 42 ALA N N 40 128.406 130.932 -2.526 1
1 474 . 9 1 1 A 43 43 ARG H H 41 7.706 8.502 -0.796 1
1 475 . 9 1 1 A 43 43 ARG HA H 41 4.978 4.936 0.042 1
1 482 . 9 1 1 A 43 43 ARG C C 41 175.510 175.632 -0.122 1
1 483 . 9 1 1 A 43 43 ARG CA C 41 54.162 55.291 -1.129 1
1 484 . 9 1 1 A 43 43 ARG CB C 41 31.200 32.496 -1.296 1
1 487 . 9 1 1 A 43 43 ARG N N 41 121.663 122.000 -0.337 1
1 488 . 9 1 1 A 44 44 LEU H H 42 9.164 9.778 -0.614 1
1 489 . 9 1 1 A 44 44 LEU HA H 42 5.023 4.952 0.071 1
1 499 . 9 1 1 A 44 44 LEU C C 42 177.840 177.275 0.565 1
1 500 . 9 1 1 A 44 44 LEU CA C 42 54.724 54.183 0.541 1
1 501 . 9 1 1 A 44 44 LEU CB C 42 41.712 42.111 -0.399 1
1 505 . 9 1 1 A 44 44 LEU N N 42 129.087 125.713 3.374 1
1 506 . 9 1 1 A 45 45 LYS H H 43 8.414 9.259 -0.845 1
1 507 . 9 1 1 A 45 45 LYS HA H 43 3.954 4.228 -0.274 1
1 516 . 9 1 1 A 45 45 LYS CA C 43 59.016 58.547 0.469 1
1 517 . 9 1 1 A 45 45 LYS CB C 43 34.102 32.373 1.729 1
1 520 . 9 1 1 A 45 45 LYS N N 43 119.674 122.650 -2.976 1
1 521 . 9 1 1 A 48 48 ASN HA H 46 4.723 4.494 0.229 1
1 526 . 9 1 1 A 48 48 ASN C C 46 175.098 175.636 -0.538 1
1 527 . 9 1 1 A 48 48 ASN CA C 46 54.764 55.354 -0.590 1
1 528 . 9 1 1 A 48 48 ASN CB C 46 39.265 37.110 2.155 1
1 530 . 9 1 1 A 49 49 ARG H H 47 7.914 8.598 -0.684 1
1 531 . 9 1 1 A 49 49 ARG HA H 47 4.352 4.562 -0.210 1
1 538 . 9 1 1 A 49 49 ARG C C 47 175.601 176.119 -0.518 1
1 539 . 9 1 1 A 49 49 ARG CA C 47 57.051 57.002 0.049 1
1 540 . 9 1 1 A 49 49 ARG CB C 47 32.121 32.681 -0.560 1
1 543 . 9 1 1 A 49 49 ARG N N 47 119.826 120.862 -1.036 1
1 544 . 9 1 1 A 50 50 GLN H H 48 8.542 7.986 0.556 1
1 545 . 9 1 1 A 50 50 GLN HA H 48 5.495 5.181 0.314 1
1 552 . 9 1 1 A 50 50 GLN C C 48 175.578 174.133 1.445 1
1 553 . 9 1 1 A 50 50 GLN CA C 48 55.125 54.113 1.012 1
1 554 . 9 1 1 A 50 50 GLN CB C 48 32.121 32.050 0.071 1
1 556 . 9 1 1 A 50 50 GLN N N 48 120.767 113.798 6.969 1
1 558 . 9 1 1 A 51 51 VAL H H 49 8.649 8.892 -0.243 1
1 559 . 9 1 1 A 51 51 VAL HA H 49 4.833 4.876 -0.043 1
1 567 . 9 1 1 A 51 51 VAL C C 49 175.258 173.569 1.689 1
1 568 . 9 1 1 A 51 51 VAL CA C 49 59.338 59.067 0.271 1
1 569 . 9 1 1 A 51 51 VAL CB C 49 36.155 35.370 0.785 1
1 572 . 9 1 1 A 51 51 VAL N N 49 116.678 117.330 -0.652 1
1 573 . 9 1 1 A 52 52 CYS H H 50 9.099 8.990 0.109 1
1 574 . 9 1 1 A 52 52 CYS HA H 50 5.308 5.379 -0.071 1
1 577 . 9 1 1 A 52 52 CYS C C 50 174.527 172.757 1.770 1
1 578 . 9 1 1 A 52 52 CYS CA C 50 58.054 54.570 3.484 1
1 579 . 9 1 1 A 52 52 CYS CB C 50 43.375 45.570 -2.195 1
1 580 . 9 1 1 A 52 52 CYS N N 50 124.549 120.731 3.818 1
1 581 . 9 1 1 A 53 53 ILE H H 51 8.479 9.661 -1.182 1
1 582 . 9 1 1 A 53 53 ILE HA H 51 4.974 5.372 -0.398 1
1 592 . 9 1 1 A 53 53 ILE C C 51 173.019 174.907 -1.888 1
1 593 . 9 1 1 A 53 53 ILE CA C 51 58.897 59.809 -0.912 1
1 594 . 9 1 1 A 53 53 ILE CB C 51 42.201 41.510 0.691 1
1 598 . 9 1 1 A 53 53 ILE N N 51 122.581 125.636 -3.055 1
1 599 . 9 1 1 A 54 54 ASP H H 52 7.642 8.629 -0.987 1
1 600 . 9 1 1 A 54 54 ASP HA H 52 3.619 4.516 -0.897 1
1 603 . 9 1 1 A 54 54 ASP CA C 52 51.574 51.626 -0.052 1
1 604 . 9 1 1 A 54 54 ASP CB C 52 42.515 41.946 0.569 1
1 605 . 9 1 1 A 54 54 ASP N N 52 125.772 125.847 -0.075 1
1 606 . 9 1 1 A 55 55 PRO HA H 53 4.023 4.371 -0.348 1
1 613 . 9 1 1 A 55 55 PRO C C 53 176.126 176.628 -0.502 1
1 614 . 9 1 1 A 55 55 PRO CA C 53 63.993 63.983 0.010 1
1 615 . 9 1 1 A 55 55 PRO CB C 53 33.002 31.624 1.378 1
1 618 . 9 1 1 A 56 56 LYS H H 54 7.930 7.882 0.048 1
1 619 . 9 1 1 A 56 56 LYS HA H 54 4.000 4.386 -0.386 1
1 628 . 9 1 1 A 56 56 LYS C C 54 177.931 176.445 1.486 1
1 629 . 9 1 1 A 56 56 LYS CA C 54 56.770 55.888 0.882 1
1 630 . 9 1 1 A 56 56 LYS CB C 54 32.023 33.086 -1.063 1
1 634 . 9 1 1 A 56 56 LYS N N 54 112.924 116.302 -3.378 1
1 635 . 9 1 1 A 57 57 LEU H H 55 7.161 6.826 0.335 1
1 636 . 9 1 1 A 57 57 LEU HA H 55 4.065 4.216 -0.151 1
1 646 . 9 1 1 A 57 57 LEU C C 55 179.416 177.862 1.554 1
1 647 . 9 1 1 A 57 57 LEU CA C 55 56.088 55.220 0.868 1
1 648 . 9 1 1 A 57 57 LEU CB C 55 42.397 41.916 0.481 1
1 652 . 9 1 1 A 57 57 LEU N N 55 120.593 121.586 -0.993 1
1 653 . 9 1 1 A 58 58 LYS H H 56 8.716 8.965 -0.249 1
1 654 . 9 1 1 A 58 58 LYS HA H 56 3.937 3.925 0.012 1
1 663 . 9 1 1 A 58 58 LYS C C 56 178.937 178.362 0.575 1
1 664 . 9 1 1 A 58 58 LYS CA C 56 60.301 59.546 0.755 1
1 665 . 9 1 1 A 58 58 LYS CB C 56 32.121 32.034 0.087 1
1 669 . 9 1 1 A 58 58 LYS N N 56 125.479 123.965 1.514 1
1 670 . 9 1 1 A 59 59 TRP H H 57 7.827 8.292 -0.465 1
1 671 . 9 1 1 A 59 59 TRP HA H 57 4.664 4.547 0.117 1
1 680 . 9 1 1 A 59 59 TRP C C 57 178.868 179.351 -0.483 1
1 681 . 9 1 1 A 59 59 TRP CA C 57 58.897 59.892 -0.995 1
1 682 . 9 1 1 A 59 59 TRP CB C 57 28.036 28.090 -0.054 1
1 688 . 9 1 1 A 59 59 TRP N N 57 113.433 119.088 -5.655 1
1 690 . 9 1 1 A 60 60 ILE H H 58 6.458 7.569 -1.111 1
1 691 . 9 1 1 A 60 60 ILE HA H 58 3.325 3.578 -0.253 1
1 701 . 9 1 1 A 60 60 ILE C C 58 177.726 177.813 -0.087 1
1 702 . 9 1 1 A 60 60 ILE CA C 58 64.314 64.528 -0.214 1
1 703 . 9 1 1 A 60 60 ILE CB C 58 35.897 36.328 -0.431 1
1 707 . 9 1 1 A 60 60 ILE N N 58 124.379 122.576 1.803 1
1 708 . 9 1 1 A 61 61 GLN H H 59 7.622 8.629 -1.007 1
1 709 . 9 1 1 A 61 61 GLN HA H 59 3.763 3.927 -0.164 1
1 716 . 9 1 1 A 61 61 GLN C C 59 178.434 178.701 -0.267 1
1 717 . 9 1 1 A 61 61 GLN CA C 59 59.379 59.471 -0.092 1
1 718 . 9 1 1 A 61 61 GLN CB C 59 28.602 28.410 0.192 1
1 720 . 9 1 1 A 61 61 GLN N N 59 119.070 119.407 -0.337 1
1 722 . 9 1 1 A 62 62 GLU H H 60 8.064 8.052 0.012 1
1 723 . 9 1 1 A 62 62 GLU HA H 60 4.093 4.083 0.010 1
1 728 . 9 1 1 A 62 62 GLU C C 60 179.051 178.516 0.535 1
1 729 . 9 1 1 A 62 62 GLU CA C 60 59.659 59.436 0.223 1
1 730 . 9 1 1 A 62 62 GLU CB C 60 30.457 29.433 1.024 1
1 732 . 9 1 1 A 62 62 GLU N N 60 117.166 119.972 -2.806 1
1 733 . 9 1 1 A 63 63 TYR H H 61 7.913 7.908 0.005 1
1 734 . 9 1 1 A 63 63 TYR HA H 61 4.265 4.271 -0.006 1
1 741 . 9 1 1 A 63 63 TYR C C 61 178.617 177.503 1.114 1
1 742 . 9 1 1 A 63 63 TYR CA C 61 61.184 61.685 -0.501 1
1 743 . 9 1 1 A 63 63 TYR CB C 61 39.461 38.890 0.571 1
1 746 . 9 1 1 A 63 63 TYR N N 61 121.271 122.486 -1.215 1
1 747 . 9 1 1 A 64 64 LEU H H 62 8.252 8.860 -0.608 1
1 748 . 9 1 1 A 64 64 LEU HA H 62 3.977 3.969 0.008 1
1 758 . 9 1 1 A 64 64 LEU C C 62 179.553 178.934 0.619 1
1 759 . 9 1 1 A 64 64 LEU CA C 62 58.014 58.233 -0.219 1
1 760 . 9 1 1 A 64 64 LEU CB C 62 42.397 41.538 0.859 1
1 764 . 9 1 1 A 64 64 LEU N N 62 116.299 120.239 -3.940 1
1 765 . 9 1 1 A 65 65 GLU H H 63 8.453 8.391 0.062 1
1 766 . 9 1 1 A 65 65 GLU HA H 63 3.853 3.956 -0.103 1
1 771 . 9 1 1 A 65 65 GLU C C 63 179.279 178.470 0.809 1
1 772 . 9 1 1 A 65 65 GLU CA C 63 60.301 59.907 0.394 1
1 773 . 9 1 1 A 65 65 GLU CB C 63 29.870 29.445 0.425 1
1 775 . 9 1 1 A 65 65 GLU N N 63 118.616 117.516 1.100 1
1 776 . 9 1 1 A 66 66 LYS H H 64 7.571 8.110 -0.539 1
1 777 . 9 1 1 A 66 66 LYS HA H 64 4.225 4.208 0.017 1
1 786 . 9 1 1 A 66 66 LYS C C 64 178.457 178.094 0.363 1
1 787 . 9 1 1 A 66 66 LYS CA C 64 58.496 56.859 1.637 1
1 788 . 9 1 1 A 66 66 LYS CB C 64 32.400 32.808 -0.408 1
1 792 . 9 1 1 A 66 66 LYS N N 64 117.166 117.824 -0.658 1
1 793 . 9 1 1 A 67 67 CYS H H 65 7.916 7.763 0.153 1
1 794 . 9 1 1 A 67 67 CYS HA H 65 4.561 3.955 0.606 1
1 797 . 9 1 1 A 67 67 CYS C C 65 174.893 176.871 -1.978 1
1 798 . 9 1 1 A 67 67 CYS CA C 65 56.329 62.270 -5.941 1
1 799 . 9 1 1 A 67 67 CYS CB C 65 45.235 26.422 18.813 1
1 800 . 9 1 1 A 67 67 CYS N N 65 115.312 118.688 -3.376 1
1 801 . 9 1 1 A 68 68 LEU H H 66 7.556 7.850 -0.294 1
1 802 . 9 1 1 A 68 68 LEU HA H 66 4.520 4.122 0.398 1
1 812 . 9 1 1 A 68 68 LEU C C 66 176.812 178.767 -1.955 1
1 813 . 9 1 1 A 68 68 LEU CA C 66 55.366 57.385 -2.019 1
1 814 . 9 1 1 A 68 68 LEU CB C 66 43.278 41.427 1.851 1
1 818 . 9 1 1 A 68 68 LEU N N 66 120.930 119.194 1.736 1
1 819 . 9 1 1 A 69 69 ASN H H 67 8.266 7.956 0.310 1
1 820 . 9 1 1 A 69 69 ASN HA H 67 4.681 4.510 0.171 1
1 825 . 9 1 1 A 69 69 ASN CA C 67 53.761 55.447 -1.686 1
1 826 . 9 1 1 A 69 69 ASN CB C 67 39.069 38.442 0.627 1
1 827 . 9 1 1 A 69 69 ASN N N 67 120.279 117.246 3.033 1
1 852 . 9 2 2 B 4 4 GLU H H 102 8.376 8.606 -0.230 1
1 853 . 9 2 2 B 4 4 GLU HA H 102 4.335 4.262 0.073 1
1 858 . 9 2 2 B 4 4 GLU C C 102 177.132 177.682 -0.550 1
1 859 . 9 2 2 B 4 4 GLU CA C 102 57.410 56.882 0.528 1
1 861 . 9 2 2 B 4 4 GLU N N 102 121.884 123.452 -1.568 1
1 862 . 9 2 2 B 5 5 GLY H H 103 8.380 8.821 -0.441 1
1 863 . 9 2 2 B 5 5 GLY HA2 H 103 4.003 3.867 0.136 1
1 864 . 9 2 2 B 5 5 GLY HA3 H 103 4.003 3.868 0.135 1
1 865 . 9 2 2 B 5 5 GLY C C 103 174.207 173.713 0.494 1
1 866 . 9 2 2 B 5 5 GLY CA C 103 45.750 46.538 -0.788 1
1 867 . 9 2 2 B 5 5 GLY N N 103 110.055 112.942 -2.887 1
1 868 . 9 2 2 B 6 6 ILE H H 104 7.851 7.712 0.139 1
1 869 . 9 2 2 B 6 6 ILE HA H 104 4.305 4.565 -0.260 1
1 879 . 9 2 2 B 6 6 ILE C C 104 176.401 175.951 0.450 1
1 880 . 9 2 2 B 6 6 ILE CA C 104 61.558 61.106 0.452 1
1 881 . 9 2 2 B 6 6 ILE CB C 104 39.436 37.045 2.391 1
1 885 . 9 2 2 B 6 6 ILE N N 104 119.606 121.588 -1.982 1
1 886 . 9 2 2 B 7 7 SER H H 105 8.369 8.660 -0.291 1
1 887 . 9 2 2 B 7 7 SER HA H 105 4.564 4.908 -0.344 1
1 890 . 9 2 2 B 7 7 SER C C 105 174.550 172.751 1.799 1
1 891 . 9 2 2 B 7 7 SER CA C 105 58.667 57.610 1.057 1
1 892 . 9 2 2 B 7 7 SER CB C 105 64.072 67.415 -3.343 1
1 893 . 9 2 2 B 7 7 SER N N 105 119.853 122.664 -2.811 1
1 894 . 9 2 2 B 8 8 ILE H H 106 7.953 8.636 -0.683 1
1 895 . 9 2 2 B 8 8 ILE HA H 106 4.224 4.421 -0.197 1
1 905 . 9 2 2 B 8 8 ILE C C 106 175.921 176.667 -0.746 1
1 906 . 9 2 2 B 8 8 ILE CA C 106 61.935 59.483 2.452 1
1 907 . 9 2 2 B 8 8 ILE CB C 106 39.436 39.186 0.250 1
1 911 . 9 2 2 B 8 8 ILE N N 106 121.730 122.887 -1.157 1
1 912 . 9 2 2 B 9 9 TYR H H 107 8.171 8.627 -0.456 1
1 913 . 9 2 2 B 9 9 TYR HA H 107 4.736 4.374 0.362 1
1 920 . 9 2 2 B 9 9 TYR C C 107 176.058 175.454 0.604 1
1 921 . 9 2 2 B 9 9 TYR CA C 107 58.165 58.153 0.012 1
1 922 . 9 2 2 B 9 9 TYR CB C 107 39.436 38.686 0.750 1
1 925 . 9 2 2 B 9 9 TYR N N 107 123.598 124.940 -1.342 1
1 926 . 9 2 2 B 10 10 THR H H 108 7.986 8.068 -0.082 1
1 927 . 9 2 2 B 10 10 THR HA H 108 4.452 4.058 0.394 1
1 932 . 9 2 2 B 10 10 THR C C 108 174.459 174.245 0.214 1
1 933 . 9 2 2 B 10 10 THR CA C 108 62.061 62.902 -0.841 1
1 934 . 9 2 2 B 10 10 THR CB C 108 70.608 66.426 4.182 1
1 936 . 9 2 2 B 10 10 THR N N 108 115.642 113.503 2.139 1
1 937 . 9 2 2 B 11 11 SER H H 109 8.193 7.999 0.194 1
1 938 . 9 2 2 B 11 11 SER HA H 109 4.526 4.891 -0.365 1
1 941 . 9 2 2 B 11 11 SER C C 109 174.504 173.616 0.888 1
1 942 . 9 2 2 B 11 11 SER CA C 109 58.919 56.790 2.129 1
1 943 . 9 2 2 B 11 11 SER CB C 109 64.198 64.368 -0.170 1
1 944 . 9 2 2 B 11 11 SER N N 109 117.597 115.764 1.833 1
1 945 . 9 2 2 B 12 12 ASP H H 110 8.351 9.110 -0.759 1
1 946 . 9 2 2 B 12 12 ASP HA H 110 4.650 4.842 -0.192 1
1 949 . 9 2 2 B 12 12 ASP C C 110 176.058 175.433 0.625 1
1 950 . 9 2 2 B 12 12 ASP CA C 110 55.022 55.317 -0.295 1
1 951 . 9 2 2 B 12 12 ASP CB C 110 41.825 43.498 -1.673 1
1 952 . 9 2 2 B 12 12 ASP N N 110 122.020 124.602 -2.582 1
1 953 . 9 2 2 B 13 13 ASN H H 111 8.230 7.719 0.511 1
1 954 . 9 2 2 B 13 13 ASN HA H 111 4.745 5.192 -0.447 1
1 957 . 9 2 2 B 13 13 ASN C C 111 175.030 174.055 0.975 1
1 958 . 9 2 2 B 13 13 ASN CA C 111 53.765 52.275 1.490 1
1 959 . 9 2 2 B 13 13 ASN CB C 111 39.562 39.685 -0.123 1
1 960 . 9 2 2 B 13 13 ASN N N 111 118.317 117.682 0.635 1
1 961 . 9 2 2 B 14 14 TYR H H 112 8.101 8.650 -0.549 1
1 962 . 9 2 2 B 14 14 TYR HA H 112 4.645 4.986 -0.341 1
1 969 . 9 2 2 B 14 14 TYR C C 112 176.081 173.280 2.801 1
1 970 . 9 2 2 B 14 14 TYR CA C 112 58.793 58.308 0.485 1
1 971 . 9 2 2 B 14 14 TYR CB C 112 39.436 41.878 -2.442 1
1 974 . 9 2 2 B 14 14 TYR N N 112 121.125 125.953 -4.828 1
1 975 . 9 2 2 B 15 15 THR H H 113 7.900 8.326 -0.426 1
1 976 . 9 2 2 B 15 15 THR HA H 113 4.332 4.810 -0.478 1
1 981 . 9 2 2 B 15 15 THR C C 113 174.413 173.869 0.544 1
1 982 . 9 2 2 B 15 15 THR CA C 113 62.187 61.507 0.680 1
1 983 . 9 2 2 B 15 15 THR CB C 113 70.341 70.666 -0.325 1
1 985 . 9 2 2 B 15 15 THR N N 113 116.394 120.361 -3.967 1
1 986 . 9 2 2 B 16 16 GLU H H 114 8.283 8.264 0.019 1
1 987 . 9 2 2 B 16 16 GLU HA H 114 4.275 4.040 0.235 1
1 992 . 9 2 2 B 16 16 GLU C C 114 176.766 175.995 0.771 1
1 993 . 9 2 2 B 16 16 GLU CA C 114 57.410 58.006 -0.596 1
1 994 . 9 2 2 B 16 16 GLU CB C 114 30.638 29.603 1.035 1
1 996 . 9 2 2 B 16 16 GLU N N 114 123.052 126.234 -3.182 1
1 997 . 9 2 2 B 17 17 GLU H H 115 8.370 8.268 0.102 1
1 998 . 9 2 2 B 17 17 GLU HA H 115 4.325 4.680 -0.355 1
1 1003 . 9 2 2 B 17 17 GLU C C 115 176.880 176.488 0.392 1
1 1004 . 9 2 2 B 17 17 GLU CA C 115 57.410 54.920 2.490 1
1 1005 . 9 2 2 B 17 17 GLU CB C 115 30.512 32.448 -1.936 1
1 1007 . 9 2 2 B 17 17 GLU N N 115 121.688 118.359 3.329 1
1 1008 . 9 2 2 B 18 18 MET H H 116 8.314 8.465 -0.151 1
1 1009 . 9 2 2 B 18 18 MET HA H 116 4.509 4.510 -0.001 1
1 1014 . 9 2 2 B 18 18 MET C C 116 177.086 176.675 0.411 1
1 1015 . 9 2 2 B 18 18 MET CA C 116 56.279 56.845 -0.566 1
1 1016 . 9 2 2 B 18 18 MET CB C 116 33.026 33.167 -0.141 1
1 1017 . 9 2 2 B 18 18 MET N N 116 121.270 121.690 -0.420 1
1 1018 . 9 2 2 B 19 19 GLY H H 117 8.384 7.867 0.517 1
1 1019 . 9 2 2 B 19 19 GLY HA2 H 117 4.061 4.051 0.010 1
1 1020 . 9 2 2 B 19 19 GLY HA3 H 117 4.061 4.053 0.008 1
1 1021 . 9 2 2 B 19 19 GLY C C 117 174.481 173.715 0.766 1
1 1022 . 9 2 2 B 19 19 GLY CA C 117 45.847 44.357 1.490 1
1 1023 . 9 2 2 B 19 19 GLY N N 117 110.055 109.357 0.698 1
1 1024 . 9 2 2 B 20 20 SER H H 118 8.250 8.564 -0.314 1
1 1025 . 9 2 2 B 20 20 SER HA H 118 4.495 4.474 0.021 1
1 1028 . 9 2 2 B 20 20 SER C C 118 175.327 173.566 1.761 1
1 1029 . 9 2 2 B 20 20 SER CA C 118 58.919 58.681 0.238 1
1 1030 . 9 2 2 B 20 20 SER CB C 118 64.575 63.197 1.378 1
1 1031 . 9 2 2 B 20 20 SER N N 118 115.664 115.842 -0.178 1
1 1032 . 9 2 2 B 21 21 GLY H H 119 8.429 8.751 -0.322 1
1 1033 . 9 2 2 B 21 21 GLY HA2 H 119 4.000 4.203 -0.203 1
1 1034 . 9 2 2 B 21 21 GLY HA3 H 119 4.000 4.207 -0.207 1
1 1035 . 9 2 2 B 21 21 GLY C C 119 174.002 174.120 -0.118 1
1 1036 . 9 2 2 B 21 21 GLY CA C 119 45.721 45.795 -0.074 1
1 1037 . 9 2 2 B 21 21 GLY N N 119 110.872 111.251 -0.379 1
1 1038 . 9 2 2 B 22 22 ASP H H 120 8.127 8.676 -0.549 1
1 1039 . 9 2 2 B 22 22 ASP HA H 120 4.634 4.418 0.216 1
1 1042 . 9 2 2 B 22 22 ASP C C 120 176.355 176.014 0.341 1
1 1043 . 9 2 2 B 22 22 ASP CA C 120 54.771 54.934 -0.163 1
1 1044 . 9 2 2 B 22 22 ASP CB C 120 41.699 39.322 2.377 1
1 1045 . 9 2 2 B 22 22 ASP N N 120 120.530 123.422 -2.892 1
1 1046 . 9 2 2 B 23 23 TYR H H 121 8.097 8.464 -0.367 1
1 1047 . 9 2 2 B 23 23 TYR HA H 121 4.555 4.506 0.049 1
1 1054 . 9 2 2 B 23 23 TYR C C 121 176.058 174.841 1.217 1
1 1055 . 9 2 2 B 23 23 TYR CA C 121 58.667 59.460 -0.793 1
1 1056 . 9 2 2 B 23 23 TYR CB C 121 39.311 40.155 -0.844 1
1 1059 . 9 2 2 B 23 23 TYR N N 121 120.584 126.093 -5.509 1
1 1060 . 9 2 2 B 24 24 ASP H H 122 8.224 7.745 0.479 1
1 1061 . 9 2 2 B 24 24 ASP HA H 122 4.621 4.899 -0.278 1
1 1064 . 9 2 2 B 24 24 ASP C C 122 176.835 174.110 2.725 1
1 1065 . 9 2 2 B 24 24 ASP CA C 122 55.022 54.239 0.783 1
1 1066 . 9 2 2 B 24 24 ASP CB C 122 41.825 44.721 -2.896 1
1 1067 . 9 2 2 B 24 24 ASP N N 122 121.815 118.809 3.006 1
1 1068 . 9 2 2 B 25 25 SER H H 123 8.137 8.826 -0.689 1
1 1069 . 9 2 2 B 25 25 SER HA H 123 4.394 4.879 -0.485 1
1 1072 . 9 2 2 B 25 25 SER C C 123 175.075 174.554 0.521 1
1 1073 . 9 2 2 B 25 25 SER CA C 123 59.547 59.531 0.016 1
1 1074 . 9 2 2 B 25 25 SER CB C 123 63.540 63.264 0.276 1
1 1075 . 9 2 2 B 25 25 SER N N 123 116.405 122.049 -5.644 1
1 1076 . 9 2 2 B 26 26 MET H H 124 8.221 8.680 -0.459 1
1 1077 . 9 2 2 B 26 26 MET HA H 124 4.500 4.896 -0.396 1
1 1082 . 9 2 2 B 26 26 MET C C 124 176.355 174.483 1.872 1
1 1083 . 9 2 2 B 26 26 MET CA C 124 56.279 54.706 1.573 1
1 1084 . 9 2 2 B 26 26 MET CB C 124 32.900 37.362 -4.462 1
1 1086 . 9 2 2 B 26 26 MET N N 124 121.210 124.196 -2.986 1
1 1087 . 9 2 2 B 27 27 LYS H H 125 7.991 8.534 -0.543 1
1 1088 . 9 2 2 B 27 27 LYS HA H 125 4.352 4.770 -0.418 1
1 1097 . 9 2 2 B 27 27 LYS C C 125 176.355 175.441 0.914 1
1 1098 . 9 2 2 B 27 27 LYS CA C 125 56.656 54.956 1.700 1
1 1099 . 9 2 2 B 27 27 LYS CB C 125 33.529 36.743 -3.214 1
1 1103 . 9 2 2 B 27 27 LYS N N 125 121.457 119.118 2.339 1
1 1104 . 9 2 2 B 28 28 GLU H H 126 8.216 8.858 -0.642 1
1 1105 . 9 2 2 B 28 28 GLU N N 126 122.890 117.493 5.397 1
1 1106 . 9 2 2 B 29 29 PRO HA H 127 4.396 4.378 0.018 1
1 1113 . 9 2 2 B 29 29 PRO C C 127 176.812 175.420 1.392 1
1 1114 . 9 2 2 B 29 29 PRO CA C 127 63.821 62.585 1.236 1
1 1115 . 9 2 2 B 29 29 PRO CB C 127 32.272 32.384 -0.112 1
1 1118 . 9 2 2 B 30 30 ALA H H 128 8.282 8.039 0.243 1
1 1119 . 9 2 2 B 30 30 ALA HA H 128 4.316 4.607 -0.291 1
1 1123 . 9 2 2 B 30 30 ALA C C 128 177.589 176.144 1.445 1
1 1124 . 9 2 2 B 30 30 ALA CA C 128 53.192 50.702 2.490 1
1 1125 . 9 2 2 B 30 30 ALA CB C 128 19.703 19.972 -0.269 1
1 1126 . 9 2 2 B 30 30 ALA N N 128 123.577 122.329 1.248 1
1 1127 . 9 2 2 B 31 31 PHE H H 129 8.035 8.679 -0.644 1
1 1128 . 9 2 2 B 31 31 PHE HA H 129 4.637 4.735 -0.098 1
1 1135 . 9 2 2 B 31 31 PHE C C 129 175.624 175.562 0.062 1
1 1136 . 9 2 2 B 31 31 PHE CA C 129 58.039 57.914 0.125 1
1 1137 . 9 2 2 B 31 31 PHE CB C 129 40.065 40.144 -0.079 1
1 1140 . 9 2 2 B 31 31 PHE N N 129 118.994 123.483 -4.489 1
1 1141 . 9 2 2 B 32 32 ARG H H 130 8.066 8.911 -0.845 1
1 1142 . 9 2 2 B 32 32 ARG HA H 130 4.351 4.648 -0.297 1
1 1149 . 9 2 2 B 32 32 ARG C C 130 175.875 174.928 0.947 1
1 1150 . 9 2 2 B 32 32 ARG CA C 130 56.154 56.069 0.085 1
1 1151 . 9 2 2 B 32 32 ARG CB C 130 31.643 30.992 0.651 1
1 1154 . 9 2 2 B 32 32 ARG N N 130 123.094 124.158 -1.064 1
1 1155 . 9 2 2 B 33 33 GLU H H 131 8.389 8.889 -0.500 1
1 1156 . 9 2 2 B 33 33 GLU HA H 131 4.295 4.681 -0.386 1
1 1161 . 9 2 2 B 33 33 GLU C C 131 176.766 175.344 1.422 1
1 1162 . 9 2 2 B 33 33 GLU CA C 131 57.285 54.361 2.924 1
1 1163 . 9 2 2 B 33 33 GLU CB C 131 30.512 32.313 -1.801 1
1 1165 . 9 2 2 B 33 33 GLU N N 131 122.719 127.513 -4.794 1
1 1166 . 9 2 2 B 34 34 GLU H H 132 8.526 8.527 -0.001 1
1 1167 . 9 2 2 B 34 34 GLU HA H 132 4.321 4.143 0.178 1
1 1172 . 9 2 2 B 34 34 GLU C C 132 176.560 176.668 -0.108 1
1 1173 . 9 2 2 B 34 34 GLU CA C 132 57.400 57.364 0.036 1
1 1174 . 9 2 2 B 34 34 GLU CB C 132 30.512 29.565 0.947 1
1 1176 . 9 2 2 B 34 34 GLU N N 132 122.122 121.016 1.106 1
1 1177 . 9 2 2 B 35 35 ASN H H 133 8.379 8.549 -0.170 1
1 1178 . 9 2 2 B 35 35 ASN HA H 133 4.712 5.417 -0.705 1
1 1181 . 9 2 2 B 35 35 ASN C C 133 175.258 174.639 0.619 1
1 1182 . 9 2 2 B 35 35 ASN CA C 133 53.765 52.305 1.460 1
1 1183 . 9 2 2 B 35 35 ASN CB C 133 39.562 39.244 0.318 1
1 1184 . 9 2 2 B 35 35 ASN N N 133 119.552 122.744 -3.192 1
1 1185 . 9 2 2 B 36 36 ALA H H 134 8.175 8.777 -0.602 1
1 1186 . 9 2 2 B 36 36 ALA HA H 134 4.308 4.326 -0.018 1
1 1190 . 9 2 2 B 36 36 ALA C C 134 177.520 177.516 0.004 1
1 1191 . 9 2 2 B 36 36 ALA CA C 134 53.192 53.916 -0.724 1
1 1192 . 9 2 2 B 36 36 ALA CB C 134 19.703 19.685 0.018 1
1 1193 . 9 2 2 B 36 36 ALA N N 134 124.376 125.612 -1.236 1
1 1194 . 9 2 2 B 37 37 ASN H H 135 8.238 7.963 0.275 1
1 1195 . 9 2 2 B 37 37 ASN HA H 135 4.713 5.045 -0.332 1
1 1198 . 9 2 2 B 37 37 ASN C C 135 175.144 174.546 0.598 1
1 1199 . 9 2 2 B 37 37 ASN CA C 135 53.640 52.158 1.482 1
1 1200 . 9 2 2 B 37 37 ASN CB C 135 39.311 39.917 -0.606 1
1 1201 . 9 2 2 B 37 37 ASN N N 135 117.103 115.631 1.472 1
1 1202 . 9 2 2 B 38 38 PHE H H 136 7.997 8.801 -0.804 1
1 1203 . 9 2 2 B 38 38 PHE HA H 136 4.678 4.555 0.123 1
1 1210 . 9 2 2 B 38 38 PHE C C 136 175.601 174.608 0.993 1
1 1211 . 9 2 2 B 38 38 PHE CA C 136 58.165 57.994 0.171 1
1 1212 . 9 2 2 B 38 38 PHE CB C 136 39.939 39.002 0.937 1
1 1215 . 9 2 2 B 38 38 PHE N N 136 120.229 123.864 -3.635 1
1 1216 . 9 2 2 B 39 39 ASN H H 137 8.272 8.880 -0.608 1
1 1217 . 9 2 2 B 39 39 ASN HA H 137 4.752 5.151 -0.399 1
1 1220 . 9 2 2 B 39 39 ASN C C 137 174.047 175.120 -1.073 1
1 1221 . 9 2 2 B 39 39 ASN CA C 137 53.891 51.944 1.947 1
1 1222 . 9 2 2 B 39 39 ASN CB C 137 39.688 40.317 -0.629 1
1 1223 . 9 2 2 B 39 39 ASN N N 137 120.594 123.925 -3.331 1
1 3 . 10 1 1 A 4 4 PRO HA H 2 4.509 4.402 0.107 1
1 10 . 10 1 1 A 4 4 PRO C C 2 177.132 176.401 0.731 1
1 11 . 10 1 1 A 4 4 PRO CA C 2 63.529 63.163 0.366 1
1 12 . 10 1 1 A 4 4 PRO CB C 2 32.476 32.066 0.410 1
1 15 . 10 1 1 A 5 5 VAL H H 3 8.201 8.298 -0.097 1
1 16 . 10 1 1 A 5 5 VAL HA H 3 4.152 4.119 0.033 1
1 24 . 10 1 1 A 5 5 VAL C C 3 176.423 175.997 0.426 1
1 25 . 10 1 1 A 5 5 VAL CA C 3 62.873 62.525 0.348 1
1 26 . 10 1 1 A 5 5 VAL CB C 3 33.455 32.283 1.172 1
1 28 . 10 1 1 A 5 5 VAL N N 3 120.488 122.807 -2.319 1
1 29 . 10 1 1 A 6 6 SER H H 4 8.276 8.738 -0.462 1
1 30 . 10 1 1 A 6 6 SER HA H 4 4.494 4.631 -0.137 1
1 33 . 10 1 1 A 6 6 SER C C 4 174.687 175.248 -0.561 1
1 34 . 10 1 1 A 6 6 SER CA C 4 58.375 57.888 0.487 1
1 35 . 10 1 1 A 6 6 SER CB C 4 64.295 64.647 -0.352 1
1 36 . 10 1 1 A 6 6 SER N N 4 119.000 125.161 -6.161 1
1 37 . 10 1 1 A 7 7 LEU H H 5 8.238 8.470 -0.232 1
1 38 . 10 1 1 A 7 7 LEU HA H 5 4.406 3.999 0.407 1
1 44 . 10 1 1 A 7 7 LEU C C 5 177.406 175.139 2.267 1
1 45 . 10 1 1 A 7 7 LEU CA C 5 55.766 56.194 -0.428 1
1 46 . 10 1 1 A 7 7 LEU CB C 5 43.083 41.796 1.287 1
1 48 . 10 1 1 A 7 7 LEU N N 5 124.704 124.908 -0.204 1
1 49 . 10 1 1 A 8 8 SER H H 6 8.148 7.650 0.498 1
1 50 . 10 1 1 A 8 8 SER HA H 6 4.438 4.932 -0.494 1
1 53 . 10 1 1 A 8 8 SER C C 6 174.321 172.632 1.689 1
1 54 . 10 1 1 A 8 8 SER CA C 6 58.718 57.602 1.116 1
1 55 . 10 1 1 A 8 8 SER CB C 6 64.295 66.074 -1.779 1
1 56 . 10 1 1 A 8 8 SER N N 6 115.960 115.764 0.196 1
1 57 . 10 1 1 A 9 9 TYR H H 7 7.954 9.008 -1.054 1
1 58 . 10 1 1 A 9 9 TYR HA H 7 4.585 4.813 -0.228 1
1 65 . 10 1 1 A 9 9 TYR C C 7 175.532 175.475 0.057 1
1 66 . 10 1 1 A 9 9 TYR CA C 7 58.335 58.834 -0.499 1
1 67 . 10 1 1 A 9 9 TYR CB C 7 39.474 38.471 1.003 1
1 70 . 10 1 1 A 9 9 TYR N N 7 121.884 123.783 -1.899 1
1 71 . 10 1 1 A 10 10 ARG H H 8 8.117 9.035 -0.918 1
1 72 . 10 1 1 A 10 10 ARG HA H 8 4.349 4.771 -0.422 1
1 79 . 10 1 1 A 10 10 ARG C C 8 175.898 175.134 0.764 1
1 80 . 10 1 1 A 10 10 ARG CA C 8 56.048 55.054 0.994 1
1 81 . 10 1 1 A 10 10 ARG CB C 8 31.492 31.014 0.478 1
1 84 . 10 1 1 A 10 10 ARG N N 8 121.977 124.210 -2.233 1
1 85 . 10 1 1 A 11 11 CYS H H 9 8.127 8.375 -0.248 1
1 86 . 10 1 1 A 11 11 CYS HA H 9 5.004 5.075 -0.071 1
1 89 . 10 1 1 A 11 11 CYS C C 9 177.771 173.534 4.237 1
1 90 . 10 1 1 A 11 11 CYS CA C 9 53.192 54.121 -0.929 1
1 91 . 10 1 1 A 11 11 CYS CB C 9 40.897 44.479 -3.582 1
1 92 . 10 1 1 A 11 11 CYS N N 9 121.209 122.889 -1.680 1
1 93 . 10 1 1 A 12 12 PRO HA H 10 4.340 4.208 0.132 1
1 100 . 10 1 1 A 12 12 PRO CA C 10 65.478 65.221 0.257 1
1 101 . 10 1 1 A 12 12 PRO CB C 10 32.904 31.523 1.381 1
1 104 . 10 1 1 A 13 13 CYS H H 11 8.662 7.800 0.862 1
1 105 . 10 1 1 A 13 13 CYS C C 11 174.618 174.635 -0.017 1
1 106 . 10 1 1 A 13 13 CYS N N 11 114.595 115.884 -1.289 1
1 107 . 10 1 1 A 14 14 ARG H H 12 8.236 8.215 0.021 1
1 108 . 10 1 1 A 14 14 ARG HA H 12 4.075 4.548 -0.473 1
1 115 . 10 1 1 A 14 14 ARG C C 12 175.098 175.509 -0.411 1
1 116 . 10 1 1 A 14 14 ARG CA C 12 57.370 56.190 1.180 1
1 117 . 10 1 1 A 14 14 ARG CB C 12 31.631 31.793 -0.162 1
1 120 . 10 1 1 A 14 14 ARG N N 12 122.779 122.034 0.745 1
1 121 . 10 1 1 A 15 15 PHE H H 13 7.603 6.908 0.695 1
1 122 . 10 1 1 A 15 15 PHE HA H 13 4.515 5.364 -0.849 1
1 129 . 10 1 1 A 15 15 PHE C C 13 174.162 173.358 0.804 1
1 130 . 10 1 1 A 15 15 PHE CA C 13 56.289 55.675 0.614 1
1 131 . 10 1 1 A 15 15 PHE CB C 13 41.320 42.987 -1.667 1
1 134 . 10 1 1 A 15 15 PHE N N 13 116.797 115.434 1.363 1
1 135 . 10 1 1 A 16 16 PHE H H 14 8.112 8.982 -0.870 1
1 136 . 10 1 1 A 16 16 PHE HA H 14 4.783 5.633 -0.850 1
1 143 . 10 1 1 A 16 16 PHE C C 14 175.441 173.155 2.286 1
1 144 . 10 1 1 A 16 16 PHE CA C 14 55.767 55.334 0.433 1
1 145 . 10 1 1 A 16 16 PHE CB C 14 41.320 42.411 -1.091 1
1 148 . 10 1 1 A 16 16 PHE N N 14 118.930 116.187 2.743 1
1 149 . 10 1 1 A 17 17 GLU H H 15 8.820 10.039 -1.219 1
1 150 . 10 1 1 A 17 17 GLU HA H 15 4.616 4.406 0.210 1
1 155 . 10 1 1 A 17 17 GLU C C 15 176.857 176.254 0.603 1
1 156 . 10 1 1 A 17 17 GLU CA C 15 56.289 56.811 -0.522 1
1 157 . 10 1 1 A 17 17 GLU CB C 15 31.173 30.010 1.163 1
1 159 . 10 1 1 A 17 17 GLU N N 15 122.825 123.444 -0.619 1
1 160 . 10 1 1 A 18 18 SER H H 16 8.746 8.731 0.015 1
1 161 . 10 1 1 A 18 18 SER HA H 16 4.759 4.561 0.198 1
1 164 . 10 1 1 A 18 18 SER C C 16 177.497 174.786 2.711 1
1 165 . 10 1 1 A 18 18 SER CA C 16 59.328 60.887 -1.559 1
1 166 . 10 1 1 A 18 18 SER CB C 16 64.515 64.286 0.229 1
1 167 . 10 1 1 A 18 18 SER N N 16 118.860 120.481 -1.621 1
1 168 . 10 1 1 A 19 19 HIS H H 17 8.761 7.741 1.020 1
1 169 . 10 1 1 A 19 19 HIS HA H 17 4.859 5.308 -0.449 1
1 174 . 10 1 1 A 19 19 HIS C C 17 174.618 173.799 0.819 1
1 175 . 10 1 1 A 19 19 HIS CA C 17 56.449 54.659 1.790 1
1 176 . 10 1 1 A 19 19 HIS CB C 17 29.870 30.957 -1.087 1
1 179 . 10 1 1 A 19 19 HIS N N 17 120.535 116.163 4.372 1
1 180 . 10 1 1 A 20 20 VAL H H 18 7.211 9.294 -2.083 1
1 181 . 10 1 1 A 20 20 VAL HA H 18 4.160 4.951 -0.791 1
1 189 . 10 1 1 A 20 20 VAL C C 18 174.436 174.112 0.324 1
1 190 . 10 1 1 A 20 20 VAL CA C 18 62.167 59.957 2.210 1
1 191 . 10 1 1 A 20 20 VAL CB C 18 34.426 35.679 -1.253 1
1 193 . 10 1 1 A 20 20 VAL N N 18 120.872 123.279 -2.407 1
1 194 . 10 1 1 A 21 21 ALA H H 19 8.535 8.728 -0.193 1
1 195 . 10 1 1 A 21 21 ALA HA H 19 4.402 4.323 0.079 1
1 199 . 10 1 1 A 21 21 ALA C C 19 177.657 177.908 -0.251 1
1 200 . 10 1 1 A 21 21 ALA CA C 19 51.193 51.587 -0.394 1
1 201 . 10 1 1 A 21 21 ALA CB C 19 19.790 19.298 0.492 1
1 202 . 10 1 1 A 21 21 ALA N N 19 131.339 128.912 2.427 1
1 203 . 10 1 1 A 22 22 ARG H H 20 7.815 8.165 -0.350 1
1 204 . 10 1 1 A 22 22 ARG HA H 20 2.495 3.180 -0.685 1
1 211 . 10 1 1 A 22 22 ARG C C 20 178.365 177.475 0.890 1
1 212 . 10 1 1 A 22 22 ARG CA C 20 59.379 58.338 1.041 1
1 213 . 10 1 1 A 22 22 ARG CB C 20 29.572 29.049 0.523 1
1 216 . 10 1 1 A 22 22 ARG N N 20 124.365 123.701 0.664 1
1 217 . 10 1 1 A 23 23 ALA H H 21 8.135 7.673 0.462 1
1 218 . 10 1 1 A 23 23 ALA HA H 21 4.070 4.085 -0.015 1
1 222 . 10 1 1 A 23 23 ALA C C 21 178.000 177.700 0.300 1
1 223 . 10 1 1 A 23 23 ALA CA C 21 54.100 53.838 0.262 1
1 224 . 10 1 1 A 23 23 ALA CB C 21 18.713 18.270 0.443 1
1 225 . 10 1 1 A 23 23 ALA N N 21 117.156 121.178 -4.022 1
1 226 . 10 1 1 A 24 24 ASN H H 22 7.712 7.858 -0.146 1
1 227 . 10 1 1 A 24 24 ASN HA H 22 5.008 4.863 0.145 1
1 232 . 10 1 1 A 24 24 ASN C C 22 174.938 174.962 -0.024 1
1 233 . 10 1 1 A 24 24 ASN CA C 22 52.869 52.562 0.307 1
1 234 . 10 1 1 A 24 24 ASN CB C 22 40.573 39.261 1.312 1
1 235 . 10 1 1 A 24 24 ASN N N 22 112.819 115.315 -2.496 1
1 237 . 10 1 1 A 25 25 VAL H H 23 7.508 7.326 0.182 1
1 238 . 10 1 1 A 25 25 VAL HA H 23 4.896 4.312 0.584 1
1 246 . 10 1 1 A 25 25 VAL C C 23 175.829 175.242 0.587 1
1 247 . 10 1 1 A 25 25 VAL CA C 23 59.870 60.651 -0.781 1
1 248 . 10 1 1 A 25 25 VAL CB C 23 35.396 33.393 2.003 1
1 251 . 10 1 1 A 25 25 VAL N N 23 119.721 119.728 -0.007 1
1 252 . 10 1 1 A 26 26 LYS H H 24 9.483 9.025 0.458 1
1 253 . 10 1 1 A 26 26 LYS HA H 24 4.350 4.289 0.061 1
1 262 . 10 1 1 A 26 26 LYS C C 24 176.606 176.141 0.465 1
1 263 . 10 1 1 A 26 26 LYS CA C 24 58.977 57.434 1.543 1
1 264 . 10 1 1 A 26 26 LYS CB C 24 34.567 33.926 0.641 1
1 268 . 10 1 1 A 26 26 LYS N N 24 128.029 128.621 -0.592 1
1 269 . 10 1 1 A 27 27 HIS H H 25 7.223 7.743 -0.520 1
1 270 . 10 1 1 A 27 27 HIS HA H 25 4.979 4.963 0.016 1
1 275 . 10 1 1 A 27 27 HIS C C 25 178.434 172.595 5.839 1
1 276 . 10 1 1 A 27 27 HIS CA C 25 55.406 54.716 0.690 1
1 277 . 10 1 1 A 27 27 HIS CB C 25 32.904 31.111 1.793 1
1 280 . 10 1 1 A 27 27 HIS N N 25 109.556 112.125 -2.569 1
1 281 . 10 1 1 A 28 28 LEU H H 26 8.149 8.921 -0.772 1
1 282 . 10 1 1 A 28 28 LEU HA H 26 5.190 5.299 -0.109 1
1 292 . 10 1 1 A 28 28 LEU C C 26 175.510 175.419 0.091 1
1 293 . 10 1 1 A 28 28 LEU CA C 26 53.480 53.444 0.036 1
1 294 . 10 1 1 A 28 28 LEU CB C 26 45.235 45.164 0.071 1
1 298 . 10 1 1 A 28 28 LEU N N 26 117.106 120.156 -3.050 1
1 299 . 10 1 1 A 29 29 LYS H H 27 9.578 9.310 0.268 1
1 300 . 10 1 1 A 29 29 LYS HA H 27 5.385 4.948 0.437 1
1 309 . 10 1 1 A 29 29 LYS C C 27 174.801 174.872 -0.071 1
1 310 . 10 1 1 A 29 29 LYS CA C 27 55.165 54.693 0.472 1
1 311 . 10 1 1 A 29 29 LYS CB C 27 35.253 34.682 0.571 1
1 315 . 10 1 1 A 29 29 LYS N N 27 123.488 123.802 -0.314 1
1 316 . 10 1 1 A 30 30 ILE H H 28 9.133 8.981 0.152 1
1 317 . 10 1 1 A 30 30 ILE HA H 28 4.925 5.073 -0.148 1
1 327 . 10 1 1 A 30 30 ILE C C 28 176.949 174.998 1.951 1
1 328 . 10 1 1 A 30 30 ILE CA C 28 60.542 59.616 0.926 1
1 329 . 10 1 1 A 30 30 ILE CB C 28 39.600 40.048 -0.448 1
1 333 . 10 1 1 A 30 30 ILE N N 28 123.846 127.971 -4.125 1
1 334 . 10 1 1 A 31 31 LEU H H 29 8.830 8.893 -0.063 1
1 335 . 10 1 1 A 31 31 LEU HA H 29 4.533 5.031 -0.498 1
1 344 . 10 1 1 A 31 31 LEU C C 29 176.012 174.473 1.539 1
1 345 . 10 1 1 A 31 31 LEU CA C 29 55.406 53.482 1.924 1
1 346 . 10 1 1 A 31 31 LEU CB C 29 43.180 46.047 -2.867 1
1 349 . 10 1 1 A 31 31 LEU N N 29 128.649 124.643 4.006 1
1 350 . 10 1 1 A 32 32 ASN H H 30 8.211 8.875 -0.664 1
1 351 . 10 1 1 A 32 32 ASN HA H 30 5.014 5.272 -0.258 1
1 356 . 10 1 1 A 32 32 ASN C C 30 174.664 174.645 0.019 1
1 357 . 10 1 1 A 32 32 ASN CA C 30 52.517 51.894 0.623 1
1 358 . 10 1 1 A 32 32 ASN CB C 30 38.776 40.243 -1.467 1
1 359 . 10 1 1 A 32 32 ASN N N 30 120.791 119.946 0.845 1
1 361 . 10 1 1 A 33 33 THR H H 31 7.896 8.951 -1.055 1
1 362 . 10 1 1 A 33 33 THR HA H 31 4.842 4.863 -0.021 1
1 367 . 10 1 1 A 33 33 THR CA C 31 58.369 60.142 -1.773 1
1 368 . 10 1 1 A 33 33 THR CB C 31 70.011 68.803 1.208 1
1 370 . 10 1 1 A 33 33 THR N N 31 115.811 116.684 -0.873 1
1 371 . 10 1 1 A 34 34 PRO HA H 32 4.317 4.428 -0.111 1
1 378 . 10 1 1 A 34 34 PRO CA C 32 65.164 64.608 0.556 1
1 379 . 10 1 1 A 34 34 PRO CB C 32 32.484 32.038 0.446 1
1 382 . 10 1 1 A 35 35 ASN H H 33 8.256 8.103 0.153 1
1 383 . 10 1 1 A 35 35 ASN HA H 33 4.651 4.910 -0.259 1
1 388 . 10 1 1 A 35 35 ASN C C 33 174.710 174.115 0.595 1
1 389 . 10 1 1 A 35 35 ASN CA C 33 54.532 52.195 2.337 1
1 390 . 10 1 1 A 35 35 ASN CB C 33 39.167 39.239 -0.072 1
1 391 . 10 1 1 A 35 35 ASN N N 33 120.081 114.686 5.395 1
1 393 . 10 1 1 A 36 36 CYS H H 34 7.548 7.611 -0.063 1
1 394 . 10 1 1 A 36 36 CYS HA H 34 4.693 5.167 -0.474 1
1 397 . 10 1 1 A 36 36 CYS C C 34 173.865 173.105 0.760 1
1 398 . 10 1 1 A 36 36 CYS CA C 34 55.447 54.784 0.663 1
1 399 . 10 1 1 A 36 36 CYS CB C 34 45.228 47.799 -2.571 1
1 400 . 10 1 1 A 36 36 CYS N N 34 117.076 117.274 -0.198 1
1 401 . 10 1 1 A 37 37 ALA H H 35 8.469 8.501 -0.032 1
1 402 . 10 1 1 A 37 37 ALA HA H 35 4.252 4.359 -0.107 1
1 406 . 10 1 1 A 37 37 ALA C C 35 176.423 176.792 -0.369 1
1 407 . 10 1 1 A 37 37 ALA CA C 35 53.537 51.737 1.800 1
1 408 . 10 1 1 A 37 37 ALA CB C 35 19.202 19.829 -0.627 1
1 409 . 10 1 1 A 37 37 ALA N N 35 125.153 125.186 -0.033 1
1 410 . 10 1 1 A 38 38 CYS H H 36 8.315 8.448 -0.133 1
1 411 . 10 1 1 A 38 38 CYS HA H 36 4.211 4.563 -0.352 1
1 414 . 10 1 1 A 38 38 CYS C C 36 173.705 173.884 -0.179 1
1 415 . 10 1 1 A 38 38 CYS CA C 36 58.616 58.894 -0.278 1
1 416 . 10 1 1 A 38 38 CYS CB C 36 45.705 26.653 19.052 1
1 417 . 10 1 1 A 38 38 CYS N N 36 118.837 116.358 2.479 1
1 418 . 10 1 1 A 39 39 GLN H H 37 8.926 8.717 0.209 1
1 419 . 10 1 1 A 39 39 GLN HA H 37 4.609 4.465 0.144 1
1 426 . 10 1 1 A 39 39 GLN C C 37 173.636 174.628 -0.992 1
1 427 . 10 1 1 A 39 39 GLN CA C 37 54.603 55.915 -1.312 1
1 428 . 10 1 1 A 39 39 GLN CB C 37 31.761 29.705 2.056 1
1 430 . 10 1 1 A 39 39 GLN N N 37 128.567 126.302 2.265 1
1 432 . 10 1 1 A 40 40 ILE H H 38 8.874 8.911 -0.037 1
1 433 . 10 1 1 A 40 40 ILE HA H 38 5.093 5.162 -0.069 1
1 443 . 10 1 1 A 40 40 ILE C C 38 174.390 174.548 -0.158 1
1 444 . 10 1 1 A 40 40 ILE CA C 38 60.582 60.071 0.511 1
1 445 . 10 1 1 A 40 40 ILE CB C 38 40.048 40.569 -0.521 1
1 449 . 10 1 1 A 40 40 ILE N N 38 123.962 127.844 -3.882 1
1 450 . 10 1 1 A 41 41 VAL H H 39 9.120 9.100 0.020 1
1 451 . 10 1 1 A 41 41 VAL HA H 39 4.905 4.904 0.001 1
1 459 . 10 1 1 A 41 41 VAL C C 39 175.487 175.074 0.413 1
1 460 . 10 1 1 A 41 41 VAL CA C 39 59.980 61.143 -1.163 1
1 461 . 10 1 1 A 41 41 VAL CB C 39 35.868 33.558 2.310 1
1 464 . 10 1 1 A 41 41 VAL N N 39 126.354 128.408 -2.054 1
1 465 . 10 1 1 A 42 42 ALA H H 40 9.513 9.453 0.060 1
1 466 . 10 1 1 A 42 42 ALA HA H 40 5.154 5.564 -0.410 1
1 470 . 10 1 1 A 42 42 ALA C C 40 175.944 175.040 0.904 1
1 471 . 10 1 1 A 42 42 ALA CA C 40 50.591 50.360 0.231 1
1 472 . 10 1 1 A 42 42 ALA CB C 40 22.432 21.951 0.481 1
1 473 . 10 1 1 A 42 42 ALA N N 40 128.406 129.105 -0.699 1
1 474 . 10 1 1 A 43 43 ARG H H 41 7.706 8.523 -0.817 1
1 475 . 10 1 1 A 43 43 ARG HA H 41 4.978 4.995 -0.017 1
1 482 . 10 1 1 A 43 43 ARG C C 41 175.510 176.022 -0.512 1
1 483 . 10 1 1 A 43 43 ARG CA C 41 54.162 54.978 -0.816 1
1 484 . 10 1 1 A 43 43 ARG CB C 41 31.200 32.413 -1.213 1
1 487 . 10 1 1 A 43 43 ARG N N 41 121.663 124.162 -2.499 1
1 488 . 10 1 1 A 44 44 LEU H H 42 9.164 8.506 0.658 1
1 489 . 10 1 1 A 44 44 LEU HA H 42 5.023 4.721 0.302 1
1 499 . 10 1 1 A 44 44 LEU C C 42 177.840 178.207 -0.367 1
1 500 . 10 1 1 A 44 44 LEU CA C 42 54.724 55.568 -0.844 1
1 501 . 10 1 1 A 44 44 LEU CB C 42 41.712 42.022 -0.310 1
1 505 . 10 1 1 A 44 44 LEU N N 42 129.087 127.434 1.653 1
1 506 . 10 1 1 A 45 45 LYS H H 43 8.414 8.844 -0.430 1
1 507 . 10 1 1 A 45 45 LYS HA H 43 3.954 3.890 0.064 1
1 516 . 10 1 1 A 45 45 LYS CA C 43 59.016 59.837 -0.821 1
1 517 . 10 1 1 A 45 45 LYS CB C 43 34.102 32.459 1.643 1
1 520 . 10 1 1 A 45 45 LYS N N 43 119.674 122.082 -2.408 1
1 521 . 10 1 1 A 48 48 ASN HA H 46 4.723 4.786 -0.063 1
1 526 . 10 1 1 A 48 48 ASN C C 46 175.098 175.308 -0.210 1
1 527 . 10 1 1 A 48 48 ASN CA C 46 54.764 54.557 0.207 1
1 528 . 10 1 1 A 48 48 ASN CB C 46 39.265 38.917 0.348 1
1 530 . 10 1 1 A 49 49 ARG H H 47 7.914 7.897 0.017 1
1 531 . 10 1 1 A 49 49 ARG HA H 47 4.352 4.810 -0.458 1
1 538 . 10 1 1 A 49 49 ARG C C 47 175.601 174.467 1.134 1
1 539 . 10 1 1 A 49 49 ARG CA C 47 57.051 54.376 2.675 1
1 540 . 10 1 1 A 49 49 ARG CB C 47 32.121 32.708 -0.587 1
1 543 . 10 1 1 A 49 49 ARG N N 47 119.826 118.026 1.800 1
1 544 . 10 1 1 A 50 50 GLN H H 48 8.542 8.773 -0.231 1
1 545 . 10 1 1 A 50 50 GLN HA H 48 5.495 5.332 0.163 1
1 552 . 10 1 1 A 50 50 GLN C C 48 175.578 174.572 1.006 1
1 553 . 10 1 1 A 50 50 GLN CA C 48 55.125 54.411 0.714 1
1 554 . 10 1 1 A 50 50 GLN CB C 48 32.121 32.442 -0.321 1
1 556 . 10 1 1 A 50 50 GLN N N 48 120.767 122.320 -1.553 1
1 558 . 10 1 1 A 51 51 VAL H H 49 8.649 9.327 -0.678 1
1 559 . 10 1 1 A 51 51 VAL HA H 49 4.833 5.156 -0.323 1
1 567 . 10 1 1 A 51 51 VAL C C 49 175.258 174.264 0.994 1
1 568 . 10 1 1 A 51 51 VAL CA C 49 59.338 59.683 -0.345 1
1 569 . 10 1 1 A 51 51 VAL CB C 49 36.155 35.049 1.106 1
1 572 . 10 1 1 A 51 51 VAL N N 49 116.678 119.711 -3.033 1
1 573 . 10 1 1 A 52 52 CYS H H 50 9.099 8.819 0.280 1
1 574 . 10 1 1 A 52 52 CYS HA H 50 5.308 5.310 -0.002 1
1 577 . 10 1 1 A 52 52 CYS C C 50 174.527 172.983 1.544 1
1 578 . 10 1 1 A 52 52 CYS CA C 50 58.054 54.354 3.700 1
1 579 . 10 1 1 A 52 52 CYS CB C 50 43.375 44.075 -0.700 1
1 580 . 10 1 1 A 52 52 CYS N N 50 124.549 119.970 4.579 1
1 581 . 10 1 1 A 53 53 ILE H H 51 8.479 9.645 -1.166 1
1 582 . 10 1 1 A 53 53 ILE HA H 51 4.974 4.975 -0.001 1
1 592 . 10 1 1 A 53 53 ILE C C 51 173.019 174.235 -1.216 1
1 593 . 10 1 1 A 53 53 ILE CA C 51 58.897 59.823 -0.926 1
1 594 . 10 1 1 A 53 53 ILE CB C 51 42.201 41.262 0.939 1
1 598 . 10 1 1 A 53 53 ILE N N 51 122.581 124.287 -1.706 1
1 599 . 10 1 1 A 54 54 ASP H H 52 7.642 8.177 -0.535 1
1 600 . 10 1 1 A 54 54 ASP HA H 52 3.619 4.759 -1.140 1
1 603 . 10 1 1 A 54 54 ASP CA C 52 51.574 51.804 -0.230 1
1 604 . 10 1 1 A 54 54 ASP CB C 52 42.515 42.526 -0.011 1
1 605 . 10 1 1 A 54 54 ASP N N 52 125.772 125.104 0.668 1
1 606 . 10 1 1 A 55 55 PRO HA H 53 4.023 4.358 -0.335 1
1 613 . 10 1 1 A 55 55 PRO C C 53 176.126 177.595 -1.469 1
1 614 . 10 1 1 A 55 55 PRO CA C 53 63.993 64.282 -0.289 1
1 615 . 10 1 1 A 55 55 PRO CB C 53 33.002 31.704 1.298 1
1 618 . 10 1 1 A 56 56 LYS H H 54 7.930 8.225 -0.295 1
1 619 . 10 1 1 A 56 56 LYS HA H 54 4.000 4.276 -0.276 1
1 628 . 10 1 1 A 56 56 LYS C C 54 177.931 176.668 1.263 1
1 629 . 10 1 1 A 56 56 LYS CA C 54 56.770 56.483 0.287 1
1 630 . 10 1 1 A 56 56 LYS CB C 54 32.023 32.743 -0.720 1
1 634 . 10 1 1 A 56 56 LYS N N 54 112.924 116.303 -3.379 1
1 635 . 10 1 1 A 57 57 LEU H H 55 7.161 6.975 0.186 1
1 636 . 10 1 1 A 57 57 LEU HA H 55 4.065 4.223 -0.158 1
1 646 . 10 1 1 A 57 57 LEU C C 55 179.416 177.576 1.840 1
1 647 . 10 1 1 A 57 57 LEU CA C 55 56.088 55.321 0.767 1
1 648 . 10 1 1 A 57 57 LEU CB C 55 42.397 41.755 0.642 1
1 652 . 10 1 1 A 57 57 LEU N N 55 120.593 121.546 -0.953 1
1 653 . 10 1 1 A 58 58 LYS H H 56 8.716 8.857 -0.141 1
1 654 . 10 1 1 A 58 58 LYS HA H 56 3.937 4.005 -0.068 1
1 663 . 10 1 1 A 58 58 LYS C C 56 178.937 178.368 0.569 1
1 664 . 10 1 1 A 58 58 LYS CA C 56 60.301 59.461 0.840 1
1 665 . 10 1 1 A 58 58 LYS CB C 56 32.121 32.186 -0.065 1
1 669 . 10 1 1 A 58 58 LYS N N 56 125.479 124.720 0.759 1
1 670 . 10 1 1 A 59 59 TRP H H 57 7.827 8.289 -0.462 1
1 671 . 10 1 1 A 59 59 TRP HA H 57 4.664 4.523 0.141 1
1 680 . 10 1 1 A 59 59 TRP C C 57 178.868 179.288 -0.420 1
1 681 . 10 1 1 A 59 59 TRP CA C 57 58.897 59.882 -0.985 1
1 682 . 10 1 1 A 59 59 TRP CB C 57 28.036 28.080 -0.044 1
1 688 . 10 1 1 A 59 59 TRP N N 57 113.433 119.154 -5.721 1
1 690 . 10 1 1 A 60 60 ILE H H 58 6.458 7.455 -0.997 1
1 691 . 10 1 1 A 60 60 ILE HA H 58 3.325 3.383 -0.058 1
1 701 . 10 1 1 A 60 60 ILE C C 58 177.726 177.798 -0.072 1
1 702 . 10 1 1 A 60 60 ILE CA C 58 64.314 64.074 0.240 1
1 703 . 10 1 1 A 60 60 ILE CB C 58 35.897 36.645 -0.748 1
1 707 . 10 1 1 A 60 60 ILE N N 58 124.379 122.288 2.091 1
1 708 . 10 1 1 A 61 61 GLN H H 59 7.622 8.736 -1.114 1
1 709 . 10 1 1 A 61 61 GLN HA H 59 3.763 3.891 -0.128 1
1 716 . 10 1 1 A 61 61 GLN C C 59 178.434 178.978 -0.544 1
1 717 . 10 1 1 A 61 61 GLN CA C 59 59.379 59.353 0.026 1
1 718 . 10 1 1 A 61 61 GLN CB C 59 28.602 28.194 0.408 1
1 720 . 10 1 1 A 61 61 GLN N N 59 119.070 118.148 0.922 1
1 722 . 10 1 1 A 62 62 GLU H H 60 8.064 8.299 -0.235 1
1 723 . 10 1 1 A 62 62 GLU HA H 60 4.093 4.097 -0.004 1
1 728 . 10 1 1 A 62 62 GLU C C 60 179.051 178.857 0.194 1
1 729 . 10 1 1 A 62 62 GLU CA C 60 59.659 59.278 0.381 1
1 730 . 10 1 1 A 62 62 GLU CB C 60 30.457 29.637 0.820 1
1 732 . 10 1 1 A 62 62 GLU N N 60 117.166 120.123 -2.957 1
1 733 . 10 1 1 A 63 63 TYR H H 61 7.913 7.767 0.146 1
1 734 . 10 1 1 A 63 63 TYR HA H 61 4.265 4.263 0.002 1
1 741 . 10 1 1 A 63 63 TYR C C 61 178.617 177.491 1.126 1
1 742 . 10 1 1 A 63 63 TYR CA C 61 61.184 61.582 -0.398 1
1 743 . 10 1 1 A 63 63 TYR CB C 61 39.461 38.840 0.621 1
1 746 . 10 1 1 A 63 63 TYR N N 61 121.271 122.650 -1.379 1
1 747 . 10 1 1 A 64 64 LEU H H 62 8.252 8.814 -0.562 1
1 748 . 10 1 1 A 64 64 LEU HA H 62 3.977 3.889 0.088 1
1 758 . 10 1 1 A 64 64 LEU C C 62 179.553 179.110 0.443 1
1 759 . 10 1 1 A 64 64 LEU CA C 62 58.014 58.226 -0.212 1
1 760 . 10 1 1 A 64 64 LEU CB C 62 42.397 41.680 0.717 1
1 764 . 10 1 1 A 64 64 LEU N N 62 116.299 119.887 -3.588 1
1 765 . 10 1 1 A 65 65 GLU H H 63 8.453 8.071 0.382 1
1 766 . 10 1 1 A 65 65 GLU HA H 63 3.853 3.893 -0.040 1
1 771 . 10 1 1 A 65 65 GLU C C 63 179.279 179.531 -0.252 1
1 772 . 10 1 1 A 65 65 GLU CA C 63 60.301 59.995 0.306 1
1 773 . 10 1 1 A 65 65 GLU CB C 63 29.870 29.550 0.320 1
1 775 . 10 1 1 A 65 65 GLU N N 63 118.616 117.606 1.010 1
1 776 . 10 1 1 A 66 66 LYS H H 64 7.571 8.175 -0.604 1
1 777 . 10 1 1 A 66 66 LYS HA H 64 4.225 4.057 0.168 1
1 786 . 10 1 1 A 66 66 LYS C C 64 178.457 179.399 -0.942 1
1 787 . 10 1 1 A 66 66 LYS CA C 64 58.496 58.894 -0.398 1
1 788 . 10 1 1 A 66 66 LYS CB C 64 32.400 31.961 0.439 1
1 792 . 10 1 1 A 66 66 LYS N N 64 117.166 118.779 -1.613 1
1 793 . 10 1 1 A 67 67 CYS H H 65 7.916 7.624 0.292 1
1 794 . 10 1 1 A 67 67 CYS HA H 65 4.561 4.056 0.505 1
1 797 . 10 1 1 A 67 67 CYS C C 65 174.893 176.890 -1.997 1
1 798 . 10 1 1 A 67 67 CYS CA C 65 56.329 62.119 -5.790 1
1 799 . 10 1 1 A 67 67 CYS CB C 65 45.235 27.312 17.923 1
1 800 . 10 1 1 A 67 67 CYS N N 65 115.312 118.856 -3.544 1
1 801 . 10 1 1 A 68 68 LEU H H 66 7.556 7.635 -0.079 1
1 802 . 10 1 1 A 68 68 LEU HA H 66 4.520 3.984 0.536 1
1 812 . 10 1 1 A 68 68 LEU C C 66 176.812 178.195 -1.383 1
1 813 . 10 1 1 A 68 68 LEU CA C 66 55.366 57.769 -2.403 1
1 814 . 10 1 1 A 68 68 LEU CB C 66 43.278 41.353 1.925 1
1 818 . 10 1 1 A 68 68 LEU N N 66 120.930 120.918 0.012 1
1 819 . 10 1 1 A 69 69 ASN H H 67 8.266 7.844 0.422 1
1 820 . 10 1 1 A 69 69 ASN HA H 67 4.681 4.593 0.088 1
1 825 . 10 1 1 A 69 69 ASN CA C 67 53.761 55.376 -1.615 1
1 826 . 10 1 1 A 69 69 ASN CB C 67 39.069 38.670 0.399 1
1 827 . 10 1 1 A 69 69 ASN N N 67 120.279 118.023 2.256 1
1 852 . 10 2 2 B 4 4 GLU H H 102 8.376 8.103 0.273 1
1 853 . 10 2 2 B 4 4 GLU HA H 102 4.335 4.495 -0.160 1
1 858 . 10 2 2 B 4 4 GLU C C 102 177.132 178.300 -1.168 1
1 859 . 10 2 2 B 4 4 GLU CA C 102 57.410 57.340 0.070 1
1 861 . 10 2 2 B 4 4 GLU N N 102 121.884 117.152 4.732 1
1 862 . 10 2 2 B 5 5 GLY H H 103 8.380 7.919 0.461 1
1 863 . 10 2 2 B 5 5 GLY HA2 H 103 4.003 4.010 -0.007 1
1 864 . 10 2 2 B 5 5 GLY HA3 H 103 4.003 4.016 -0.013 1
1 865 . 10 2 2 B 5 5 GLY C C 103 174.207 173.081 1.126 1
1 866 . 10 2 2 B 5 5 GLY CA C 103 45.750 45.315 0.435 1
1 867 . 10 2 2 B 5 5 GLY N N 103 110.055 107.563 2.492 1
1 868 . 10 2 2 B 6 6 ILE H H 104 7.851 7.668 0.183 1
1 869 . 10 2 2 B 6 6 ILE HA H 104 4.305 4.529 -0.224 1
1 879 . 10 2 2 B 6 6 ILE C C 104 176.401 175.703 0.698 1
1 880 . 10 2 2 B 6 6 ILE CA C 104 61.558 59.833 1.725 1
1 881 . 10 2 2 B 6 6 ILE CB C 104 39.436 40.522 -1.086 1
1 885 . 10 2 2 B 6 6 ILE N N 104 119.606 119.940 -0.334 1
1 886 . 10 2 2 B 7 7 SER H H 105 8.369 8.690 -0.321 1
1 887 . 10 2 2 B 7 7 SER HA H 105 4.564 4.365 0.199 1
1 890 . 10 2 2 B 7 7 SER C C 105 174.550 173.663 0.887 1
1 891 . 10 2 2 B 7 7 SER CA C 105 58.667 60.126 -1.459 1
1 892 . 10 2 2 B 7 7 SER CB C 105 64.072 61.079 2.993 1
1 893 . 10 2 2 B 7 7 SER N N 105 119.853 118.737 1.116 1
1 894 . 10 2 2 B 8 8 ILE H H 106 7.953 8.030 -0.077 1
1 895 . 10 2 2 B 8 8 ILE HA H 106 4.224 4.352 -0.128 1
1 905 . 10 2 2 B 8 8 ILE C C 106 175.921 175.732 0.189 1
1 906 . 10 2 2 B 8 8 ILE CA C 106 61.935 60.873 1.062 1
1 907 . 10 2 2 B 8 8 ILE CB C 106 39.436 36.537 2.899 1
1 911 . 10 2 2 B 8 8 ILE N N 106 121.730 121.615 0.115 1
1 912 . 10 2 2 B 9 9 TYR H H 107 8.171 8.776 -0.605 1
1 913 . 10 2 2 B 9 9 TYR HA H 107 4.736 4.406 0.330 1
1 920 . 10 2 2 B 9 9 TYR C C 107 176.058 176.546 -0.488 1
1 921 . 10 2 2 B 9 9 TYR CA C 107 58.165 60.021 -1.856 1
1 922 . 10 2 2 B 9 9 TYR CB C 107 39.436 38.430 1.006 1
1 925 . 10 2 2 B 9 9 TYR N N 107 123.598 127.198 -3.600 1
1 926 . 10 2 2 B 10 10 THR H H 108 7.986 8.009 -0.023 1
1 927 . 10 2 2 B 10 10 THR HA H 108 4.452 4.872 -0.420 1
1 932 . 10 2 2 B 10 10 THR C C 108 174.459 174.162 0.297 1
1 933 . 10 2 2 B 10 10 THR CA C 108 62.061 61.053 1.008 1
1 934 . 10 2 2 B 10 10 THR CB C 108 70.608 71.719 -1.111 1
1 936 . 10 2 2 B 10 10 THR N N 108 115.642 112.324 3.318 1
1 937 . 10 2 2 B 11 11 SER H H 109 8.193 8.743 -0.550 1
1 938 . 10 2 2 B 11 11 SER HA H 109 4.526 4.421 0.105 1
1 941 . 10 2 2 B 11 11 SER C C 109 174.504 173.967 0.537 1
1 942 . 10 2 2 B 11 11 SER CA C 109 58.919 59.376 -0.457 1
1 943 . 10 2 2 B 11 11 SER CB C 109 64.198 63.494 0.704 1
1 944 . 10 2 2 B 11 11 SER N N 109 117.597 119.712 -2.115 1
1 945 . 10 2 2 B 12 12 ASP H H 110 8.351 7.862 0.489 1
1 946 . 10 2 2 B 12 12 ASP HA H 110 4.650 4.949 -0.299 1
1 949 . 10 2 2 B 12 12 ASP C C 110 176.058 175.513 0.545 1
1 950 . 10 2 2 B 12 12 ASP CA C 110 55.022 52.883 2.139 1
1 951 . 10 2 2 B 12 12 ASP CB C 110 41.825 43.010 -1.185 1
1 952 . 10 2 2 B 12 12 ASP N N 110 122.020 122.603 -0.583 1
1 953 . 10 2 2 B 13 13 ASN H H 111 8.230 9.195 -0.965 1
1 954 . 10 2 2 B 13 13 ASN HA H 111 4.745 4.584 0.161 1
1 957 . 10 2 2 B 13 13 ASN C C 111 175.030 174.097 0.933 1
1 958 . 10 2 2 B 13 13 ASN CA C 111 53.765 55.368 -1.603 1
1 959 . 10 2 2 B 13 13 ASN CB C 111 39.562 37.147 2.415 1
1 960 . 10 2 2 B 13 13 ASN N N 111 118.317 121.063 -2.746 1
1 961 . 10 2 2 B 14 14 TYR H H 112 8.101 8.405 -0.304 1
1 962 . 10 2 2 B 14 14 TYR HA H 112 4.645 4.269 0.376 1
1 969 . 10 2 2 B 14 14 TYR C C 112 176.081 174.400 1.681 1
1 970 . 10 2 2 B 14 14 TYR CA C 112 58.793 58.369 0.424 1
1 971 . 10 2 2 B 14 14 TYR CB C 112 39.436 37.123 2.313 1
1 974 . 10 2 2 B 14 14 TYR N N 112 121.125 116.136 4.989 1
1 975 . 10 2 2 B 15 15 THR H H 113 7.900 8.149 -0.249 1
1 976 . 10 2 2 B 15 15 THR HA H 113 4.332 4.967 -0.635 1
1 981 . 10 2 2 B 15 15 THR C C 113 174.413 173.264 1.149 1
1 982 . 10 2 2 B 15 15 THR CA C 113 62.187 60.060 2.127 1
1 983 . 10 2 2 B 15 15 THR CB C 113 70.341 71.759 -1.418 1
1 985 . 10 2 2 B 15 15 THR N N 113 116.394 119.127 -2.733 1
1 986 . 10 2 2 B 16 16 GLU H H 114 8.283 8.776 -0.493 1
1 987 . 10 2 2 B 16 16 GLU HA H 114 4.275 4.286 -0.011 1
1 992 . 10 2 2 B 16 16 GLU C C 114 176.766 176.651 0.115 1
1 993 . 10 2 2 B 16 16 GLU CA C 114 57.410 56.958 0.452 1
1 994 . 10 2 2 B 16 16 GLU CB C 114 30.638 30.130 0.508 1
1 996 . 10 2 2 B 16 16 GLU N N 114 123.052 125.813 -2.761 1
1 997 . 10 2 2 B 17 17 GLU H H 115 8.370 8.810 -0.440 1
1 998 . 10 2 2 B 17 17 GLU HA H 115 4.325 4.339 -0.014 1
1 1003 . 10 2 2 B 17 17 GLU C C 115 176.880 176.503 0.377 1
1 1004 . 10 2 2 B 17 17 GLU CA C 115 57.410 58.211 -0.801 1
1 1005 . 10 2 2 B 17 17 GLU CB C 115 30.512 30.838 -0.326 1
1 1007 . 10 2 2 B 17 17 GLU N N 115 121.688 123.656 -1.968 1
1 1008 . 10 2 2 B 18 18 MET H H 116 8.314 7.758 0.556 1
1 1009 . 10 2 2 B 18 18 MET HA H 116 4.509 4.899 -0.390 1
1 1014 . 10 2 2 B 18 18 MET C C 116 177.086 174.112 2.974 1
1 1015 . 10 2 2 B 18 18 MET CA C 116 56.279 54.636 1.643 1
1 1016 . 10 2 2 B 18 18 MET CB C 116 33.026 37.075 -4.049 1
1 1017 . 10 2 2 B 18 18 MET N N 116 121.270 116.258 5.012 1
1 1018 . 10 2 2 B 19 19 GLY H H 117 8.384 8.455 -0.071 1
1 1019 . 10 2 2 B 19 19 GLY HA2 H 117 4.061 4.168 -0.107 1
1 1020 . 10 2 2 B 19 19 GLY HA3 H 117 4.061 4.168 -0.107 1
1 1021 . 10 2 2 B 19 19 GLY C C 117 174.481 173.834 0.647 1
1 1022 . 10 2 2 B 19 19 GLY CA C 117 45.847 45.476 0.371 1
1 1023 . 10 2 2 B 19 19 GLY N N 117 110.055 109.282 0.773 1
1 1024 . 10 2 2 B 20 20 SER H H 118 8.250 8.893 -0.643 1
1 1025 . 10 2 2 B 20 20 SER HA H 118 4.495 4.458 0.037 1
1 1028 . 10 2 2 B 20 20 SER C C 118 175.327 174.335 0.992 1
1 1029 . 10 2 2 B 20 20 SER CA C 118 58.919 60.133 -1.214 1
1 1030 . 10 2 2 B 20 20 SER CB C 118 64.575 63.717 0.858 1
1 1031 . 10 2 2 B 20 20 SER N N 118 115.664 120.994 -5.330 1
1 1032 . 10 2 2 B 21 21 GLY H H 119 8.429 7.468 0.961 1
1 1033 . 10 2 2 B 21 21 GLY HA2 H 119 4.000 4.150 -0.150 1
1 1034 . 10 2 2 B 21 21 GLY HA3 H 119 4.000 4.152 -0.152 1
1 1035 . 10 2 2 B 21 21 GLY C C 119 174.002 171.436 2.566 1
1 1036 . 10 2 2 B 21 21 GLY CA C 119 45.721 45.857 -0.136 1
1 1037 . 10 2 2 B 21 21 GLY N N 119 110.872 106.185 4.687 1
1 1038 . 10 2 2 B 22 22 ASP H H 120 8.127 8.711 -0.584 1
1 1039 . 10 2 2 B 22 22 ASP HA H 120 4.634 5.171 -0.537 1
1 1042 . 10 2 2 B 22 22 ASP C C 120 176.355 175.851 0.504 1
1 1043 . 10 2 2 B 22 22 ASP CA C 120 54.771 52.837 1.934 1
1 1044 . 10 2 2 B 22 22 ASP CB C 120 41.699 43.053 -1.354 1
1 1045 . 10 2 2 B 22 22 ASP N N 120 120.530 120.247 0.283 1
1 1046 . 10 2 2 B 23 23 TYR H H 121 8.097 8.832 -0.735 1
1 1047 . 10 2 2 B 23 23 TYR HA H 121 4.555 4.408 0.147 1
1 1054 . 10 2 2 B 23 23 TYR C C 121 176.058 174.640 1.418 1
1 1055 . 10 2 2 B 23 23 TYR CA C 121 58.667 60.011 -1.344 1
1 1056 . 10 2 2 B 23 23 TYR CB C 121 39.311 40.218 -0.907 1
1 1059 . 10 2 2 B 23 23 TYR N N 121 120.584 120.004 0.580 1
1 1060 . 10 2 2 B 24 24 ASP H H 122 8.224 7.772 0.452 1
1 1061 . 10 2 2 B 24 24 ASP HA H 122 4.621 4.997 -0.376 1
1 1064 . 10 2 2 B 24 24 ASP C C 122 176.835 174.599 2.236 1
1 1065 . 10 2 2 B 24 24 ASP CA C 122 55.022 53.247 1.775 1
1 1066 . 10 2 2 B 24 24 ASP CB C 122 41.825 43.611 -1.786 1
1 1067 . 10 2 2 B 24 24 ASP N N 122 121.815 118.196 3.619 1
1 1068 . 10 2 2 B 25 25 SER H H 123 8.137 8.526 -0.389 1
1 1069 . 10 2 2 B 25 25 SER HA H 123 4.394 4.655 -0.261 1
1 1072 . 10 2 2 B 25 25 SER C C 123 175.075 174.428 0.647 1
1 1073 . 10 2 2 B 25 25 SER CA C 123 59.547 58.722 0.825 1
1 1074 . 10 2 2 B 25 25 SER CB C 123 63.540 63.977 -0.437 1
1 1075 . 10 2 2 B 25 25 SER N N 123 116.405 116.259 0.146 1
1 1076 . 10 2 2 B 26 26 MET H H 124 8.221 8.541 -0.320 1
1 1077 . 10 2 2 B 26 26 MET HA H 124 4.500 5.389 -0.889 1
1 1082 . 10 2 2 B 26 26 MET C C 124 176.355 174.793 1.562 1
1 1083 . 10 2 2 B 26 26 MET CA C 124 56.279 53.014 3.265 1
1 1084 . 10 2 2 B 26 26 MET CB C 124 32.900 36.298 -3.398 1
1 1086 . 10 2 2 B 26 26 MET N N 124 121.210 118.305 2.905 1
1 1087 . 10 2 2 B 27 27 LYS H H 125 7.991 8.366 -0.375 1
1 1088 . 10 2 2 B 27 27 LYS HA H 125 4.352 5.201 -0.849 1
1 1097 . 10 2 2 B 27 27 LYS C C 125 176.355 175.065 1.290 1
1 1098 . 10 2 2 B 27 27 LYS CA C 125 56.656 54.751 1.905 1
1 1099 . 10 2 2 B 27 27 LYS CB C 125 33.529 37.257 -3.728 1
1 1103 . 10 2 2 B 27 27 LYS N N 125 121.457 118.437 3.020 1
1 1104 . 10 2 2 B 28 28 GLU H H 126 8.216 9.021 -0.805 1
1 1105 . 10 2 2 B 28 28 GLU N N 126 122.890 118.708 4.182 1
1 1106 . 10 2 2 B 29 29 PRO HA H 127 4.396 4.825 -0.429 1
1 1113 . 10 2 2 B 29 29 PRO C C 127 176.812 176.209 0.603 1
1 1114 . 10 2 2 B 29 29 PRO CA C 127 63.821 62.407 1.414 1
1 1115 . 10 2 2 B 29 29 PRO CB C 127 32.272 33.053 -0.781 1
1 1118 . 10 2 2 B 30 30 ALA H H 128 8.282 8.201 0.081 1
1 1119 . 10 2 2 B 30 30 ALA HA H 128 4.316 4.463 -0.147 1
1 1123 . 10 2 2 B 30 30 ALA C C 128 177.589 177.042 0.547 1
1 1124 . 10 2 2 B 30 30 ALA CA C 128 53.192 50.633 2.559 1
1 1125 . 10 2 2 B 30 30 ALA CB C 128 19.703 18.984 0.719 1
1 1126 . 10 2 2 B 30 30 ALA N N 128 123.577 123.000 0.577 1
1 1127 . 10 2 2 B 31 31 PHE H H 129 8.035 7.744 0.291 1
1 1128 . 10 2 2 B 31 31 PHE HA H 129 4.637 4.113 0.524 1
1 1135 . 10 2 2 B 31 31 PHE C C 129 175.624 174.445 1.179 1
1 1136 . 10 2 2 B 31 31 PHE CA C 129 58.039 59.153 -1.114 1
1 1137 . 10 2 2 B 31 31 PHE CB C 129 40.065 35.900 4.165 1
1 1140 . 10 2 2 B 31 31 PHE N N 129 118.994 113.988 5.006 1
1 1141 . 10 2 2 B 32 32 ARG H H 130 8.066 7.539 0.527 1
1 1142 . 10 2 2 B 32 32 ARG HA H 130 4.351 4.930 -0.579 1
1 1149 . 10 2 2 B 32 32 ARG C C 130 175.875 174.534 1.341 1
1 1150 . 10 2 2 B 32 32 ARG CA C 130 56.154 54.325 1.829 1
1 1151 . 10 2 2 B 32 32 ARG CB C 130 31.643 34.179 -2.536 1
1 1154 . 10 2 2 B 32 32 ARG N N 130 123.094 118.475 4.619 1
1 1155 . 10 2 2 B 33 33 GLU H H 131 8.389 8.688 -0.299 1
1 1156 . 10 2 2 B 33 33 GLU HA H 131 4.295 5.105 -0.810 1
1 1161 . 10 2 2 B 33 33 GLU C C 131 176.766 174.638 2.128 1
1 1162 . 10 2 2 B 33 33 GLU CA C 131 57.285 54.829 2.456 1
1 1163 . 10 2 2 B 33 33 GLU CB C 131 30.512 32.434 -1.922 1
1 1165 . 10 2 2 B 33 33 GLU N N 131 122.719 118.686 4.033 1
1 1166 . 10 2 2 B 34 34 GLU H H 132 8.526 8.787 -0.261 1
1 1167 . 10 2 2 B 34 34 GLU HA H 132 4.321 5.209 -0.888 1
1 1172 . 10 2 2 B 34 34 GLU C C 132 176.560 174.042 2.518 1
1 1173 . 10 2 2 B 34 34 GLU CA C 132 57.400 54.760 2.640 1
1 1174 . 10 2 2 B 34 34 GLU CB C 132 30.512 33.644 -3.132 1
1 1176 . 10 2 2 B 34 34 GLU N N 132 122.122 120.131 1.991 1
1 1177 . 10 2 2 B 35 35 ASN H H 133 8.379 8.777 -0.398 1
1 1178 . 10 2 2 B 35 35 ASN HA H 133 4.712 5.084 -0.372 1
1 1181 . 10 2 2 B 35 35 ASN C C 133 175.258 174.561 0.697 1
1 1182 . 10 2 2 B 35 35 ASN CA C 133 53.765 52.384 1.381 1
1 1183 . 10 2 2 B 35 35 ASN CB C 133 39.562 40.876 -1.314 1
1 1184 . 10 2 2 B 35 35 ASN N N 133 119.552 123.182 -3.630 1
1 1185 . 10 2 2 B 36 36 ALA H H 134 8.175 8.479 -0.304 1
1 1186 . 10 2 2 B 36 36 ALA HA H 134 4.308 4.057 0.251 1
1 1190 . 10 2 2 B 36 36 ALA C C 134 177.520 176.051 1.469 1
1 1191 . 10 2 2 B 36 36 ALA CA C 134 53.192 54.442 -1.250 1
1 1192 . 10 2 2 B 36 36 ALA CB C 134 19.703 18.023 1.680 1
1 1193 . 10 2 2 B 36 36 ALA N N 134 124.376 128.830 -4.454 1
1 1194 . 10 2 2 B 37 37 ASN H H 135 8.238 8.618 -0.380 1
1 1195 . 10 2 2 B 37 37 ASN HA H 135 4.713 5.061 -0.348 1
1 1198 . 10 2 2 B 37 37 ASN C C 135 175.144 175.341 -0.197 1
1 1199 . 10 2 2 B 37 37 ASN CA C 135 53.640 51.438 2.202 1
1 1200 . 10 2 2 B 37 37 ASN CB C 135 39.311 38.824 0.487 1
1 1201 . 10 2 2 B 37 37 ASN N N 135 117.103 117.819 -0.716 1
1 1202 . 10 2 2 B 38 38 PHE H H 136 7.997 8.985 -0.988 1
1 1203 . 10 2 2 B 38 38 PHE HA H 136 4.678 4.348 0.330 1
1 1210 . 10 2 2 B 38 38 PHE C C 136 175.601 175.260 0.341 1
1 1211 . 10 2 2 B 38 38 PHE CA C 136 58.165 60.211 -2.046 1
1 1212 . 10 2 2 B 38 38 PHE CB C 136 39.939 40.509 -0.570 1
1 1215 . 10 2 2 B 38 38 PHE N N 136 120.229 126.250 -6.021 1
1 1216 . 10 2 2 B 39 39 ASN H H 137 8.272 7.928 0.344 1
1 1217 . 10 2 2 B 39 39 ASN HA H 137 4.752 5.058 -0.306 1
1 1220 . 10 2 2 B 39 39 ASN C C 137 174.047 173.362 0.685 1
1 1221 . 10 2 2 B 39 39 ASN CA C 137 53.891 52.114 1.777 1
1 1222 . 10 2 2 B 39 39 ASN CB C 137 39.688 41.602 -1.914 1
1 1223 . 10 2 2 B 39 39 ASN N N 137 120.594 113.044 7.550 1
1 3 . 11 1 1 A 4 4 PRO HA H 2 4.509 4.389 0.120 1
1 10 . 11 1 1 A 4 4 PRO C C 2 177.132 175.902 1.230 1
1 11 . 11 1 1 A 4 4 PRO CA C 2 63.529 63.372 0.157 1
1 12 . 11 1 1 A 4 4 PRO CB C 2 32.476 32.130 0.346 1
1 15 . 11 1 1 A 5 5 VAL H H 3 8.201 8.503 -0.302 1
1 16 . 11 1 1 A 5 5 VAL HA H 3 4.152 4.546 -0.394 1
1 24 . 11 1 1 A 5 5 VAL C C 3 176.423 174.606 1.817 1
1 25 . 11 1 1 A 5 5 VAL CA C 3 62.873 61.771 1.102 1
1 26 . 11 1 1 A 5 5 VAL CB C 3 33.455 33.065 0.390 1
1 28 . 11 1 1 A 5 5 VAL N N 3 120.488 124.486 -3.998 1
1 29 . 11 1 1 A 6 6 SER H H 4 8.276 8.860 -0.584 1
1 30 . 11 1 1 A 6 6 SER HA H 4 4.494 5.048 -0.554 1
1 33 . 11 1 1 A 6 6 SER C C 4 174.687 172.763 1.924 1
1 34 . 11 1 1 A 6 6 SER CA C 4 58.375 57.531 0.844 1
1 35 . 11 1 1 A 6 6 SER CB C 4 64.295 65.967 -1.672 1
1 36 . 11 1 1 A 6 6 SER N N 4 119.000 119.629 -0.629 1
1 37 . 11 1 1 A 7 7 LEU H H 5 8.238 8.449 -0.211 1
1 38 . 11 1 1 A 7 7 LEU HA H 5 4.406 4.903 -0.497 1
1 44 . 11 1 1 A 7 7 LEU C C 5 177.406 175.517 1.889 1
1 45 . 11 1 1 A 7 7 LEU CA C 5 55.766 53.128 2.638 1
1 46 . 11 1 1 A 7 7 LEU CB C 5 43.083 43.324 -0.241 1
1 48 . 11 1 1 A 7 7 LEU N N 5 124.704 119.928 4.776 1
1 49 . 11 1 1 A 8 8 SER H H 6 8.148 8.618 -0.470 1
1 50 . 11 1 1 A 8 8 SER HA H 6 4.438 5.093 -0.655 1
1 53 . 11 1 1 A 8 8 SER C C 6 174.321 172.996 1.325 1
1 54 . 11 1 1 A 8 8 SER CA C 6 58.718 57.472 1.246 1
1 55 . 11 1 1 A 8 8 SER CB C 6 64.295 66.470 -2.175 1
1 56 . 11 1 1 A 8 8 SER N N 6 115.960 116.455 -0.495 1
1 57 . 11 1 1 A 9 9 TYR H H 7 7.954 8.805 -0.851 1
1 58 . 11 1 1 A 9 9 TYR HA H 7 4.585 4.742 -0.157 1
1 65 . 11 1 1 A 9 9 TYR C C 7 175.532 174.564 0.968 1
1 66 . 11 1 1 A 9 9 TYR CA C 7 58.335 57.066 1.269 1
1 67 . 11 1 1 A 9 9 TYR CB C 7 39.474 38.404 1.070 1
1 70 . 11 1 1 A 9 9 TYR N N 7 121.884 122.947 -1.063 1
1 71 . 11 1 1 A 10 10 ARG H H 8 8.117 7.731 0.386 1
1 72 . 11 1 1 A 10 10 ARG HA H 8 4.349 4.768 -0.419 1
1 79 . 11 1 1 A 10 10 ARG C C 8 175.898 175.438 0.460 1
1 80 . 11 1 1 A 10 10 ARG CA C 8 56.048 54.340 1.708 1
1 81 . 11 1 1 A 10 10 ARG CB C 8 31.492 31.896 -0.404 1
1 84 . 11 1 1 A 10 10 ARG N N 8 121.977 118.092 3.885 1
1 85 . 11 1 1 A 11 11 CYS H H 9 8.127 8.819 -0.692 1
1 86 . 11 1 1 A 11 11 CYS HA H 9 5.004 4.946 0.058 1
1 89 . 11 1 1 A 11 11 CYS C C 9 177.771 173.743 4.028 1
1 90 . 11 1 1 A 11 11 CYS CA C 9 53.192 54.853 -1.661 1
1 91 . 11 1 1 A 11 11 CYS CB C 9 40.897 42.758 -1.861 1
1 92 . 11 1 1 A 11 11 CYS N N 9 121.209 120.199 1.010 1
1 93 . 11 1 1 A 12 12 PRO HA H 10 4.340 4.330 0.010 1
1 100 . 11 1 1 A 12 12 PRO CA C 10 65.478 65.577 -0.099 1
1 101 . 11 1 1 A 12 12 PRO CB C 10 32.904 31.386 1.518 1
1 104 . 11 1 1 A 13 13 CYS H H 11 8.662 7.979 0.683 1
1 105 . 11 1 1 A 13 13 CYS C C 11 174.618 173.824 0.794 1
1 106 . 11 1 1 A 13 13 CYS N N 11 114.595 112.574 2.021 1
1 107 . 11 1 1 A 14 14 ARG H H 12 8.236 8.981 -0.745 1
1 108 . 11 1 1 A 14 14 ARG HA H 12 4.075 4.195 -0.120 1
1 115 . 11 1 1 A 14 14 ARG C C 12 175.098 175.576 -0.478 1
1 116 . 11 1 1 A 14 14 ARG CA C 12 57.370 57.937 -0.567 1
1 117 . 11 1 1 A 14 14 ARG CB C 12 31.631 31.122 0.509 1
1 120 . 11 1 1 A 14 14 ARG N N 12 122.779 124.693 -1.914 1
1 121 . 11 1 1 A 15 15 PHE H H 13 7.603 7.910 -0.307 1
1 122 . 11 1 1 A 15 15 PHE HA H 13 4.515 4.977 -0.462 1
1 129 . 11 1 1 A 15 15 PHE C C 13 174.162 175.305 -1.143 1
1 130 . 11 1 1 A 15 15 PHE CA C 13 56.289 55.711 0.578 1
1 131 . 11 1 1 A 15 15 PHE CB C 13 41.320 41.724 -0.404 1
1 134 . 11 1 1 A 15 15 PHE N N 13 116.797 116.005 0.792 1
1 135 . 11 1 1 A 16 16 PHE H H 14 8.112 8.481 -0.369 1
1 136 . 11 1 1 A 16 16 PHE HA H 14 4.783 5.684 -0.901 1
1 143 . 11 1 1 A 16 16 PHE C C 14 175.441 174.033 1.408 1
1 144 . 11 1 1 A 16 16 PHE CA C 14 55.767 55.245 0.522 1
1 145 . 11 1 1 A 16 16 PHE CB C 14 41.320 42.638 -1.318 1
1 148 . 11 1 1 A 16 16 PHE N N 14 118.930 119.276 -0.346 1
1 149 . 11 1 1 A 17 17 GLU H H 15 8.820 8.918 -0.098 1
1 150 . 11 1 1 A 17 17 GLU HA H 15 4.616 4.340 0.276 1
1 155 . 11 1 1 A 17 17 GLU C C 15 176.857 176.395 0.462 1
1 156 . 11 1 1 A 17 17 GLU CA C 15 56.289 56.773 -0.484 1
1 157 . 11 1 1 A 17 17 GLU CB C 15 31.173 30.210 0.963 1
1 159 . 11 1 1 A 17 17 GLU N N 15 122.825 121.664 1.161 1
1 160 . 11 1 1 A 18 18 SER H H 16 8.746 8.925 -0.179 1
1 161 . 11 1 1 A 18 18 SER HA H 16 4.759 4.559 0.200 1
1 164 . 11 1 1 A 18 18 SER C C 16 177.497 174.784 2.713 1
1 165 . 11 1 1 A 18 18 SER CA C 16 59.328 60.857 -1.529 1
1 166 . 11 1 1 A 18 18 SER CB C 16 64.515 63.440 1.075 1
1 167 . 11 1 1 A 18 18 SER N N 16 118.860 121.461 -2.601 1
1 168 . 11 1 1 A 19 19 HIS H H 17 8.761 7.920 0.841 1
1 169 . 11 1 1 A 19 19 HIS HA H 17 4.859 4.896 -0.037 1
1 174 . 11 1 1 A 19 19 HIS C C 17 174.618 174.040 0.578 1
1 175 . 11 1 1 A 19 19 HIS CA C 17 56.449 55.018 1.431 1
1 176 . 11 1 1 A 19 19 HIS CB C 17 29.870 29.526 0.344 1
1 179 . 11 1 1 A 19 19 HIS N N 17 120.535 115.855 4.680 1
1 180 . 11 1 1 A 20 20 VAL H H 18 7.211 8.692 -1.481 1
1 181 . 11 1 1 A 20 20 VAL HA H 18 4.160 4.100 0.060 1
1 189 . 11 1 1 A 20 20 VAL C C 18 174.436 175.697 -1.261 1
1 190 . 11 1 1 A 20 20 VAL CA C 18 62.167 62.423 -0.256 1
1 191 . 11 1 1 A 20 20 VAL CB C 18 34.426 33.124 1.302 1
1 193 . 11 1 1 A 20 20 VAL N N 18 120.872 125.992 -5.120 1
1 194 . 11 1 1 A 21 21 ALA H H 19 8.535 8.742 -0.207 1
1 195 . 11 1 1 A 21 21 ALA HA H 19 4.402 4.420 -0.018 1
1 199 . 11 1 1 A 21 21 ALA C C 19 177.657 178.118 -0.461 1
1 200 . 11 1 1 A 21 21 ALA CA C 19 51.193 52.063 -0.870 1
1 201 . 11 1 1 A 21 21 ALA CB C 19 19.790 18.968 0.822 1
1 202 . 11 1 1 A 21 21 ALA N N 19 131.339 129.450 1.889 1
1 203 . 11 1 1 A 22 22 ARG H H 20 7.815 8.550 -0.735 1
1 204 . 11 1 1 A 22 22 ARG HA H 20 2.495 3.666 -1.171 1
1 211 . 11 1 1 A 22 22 ARG C C 20 178.365 177.412 0.953 1
1 212 . 11 1 1 A 22 22 ARG CA C 20 59.379 58.159 1.220 1
1 213 . 11 1 1 A 22 22 ARG CB C 20 29.572 29.426 0.146 1
1 216 . 11 1 1 A 22 22 ARG N N 20 124.365 124.908 -0.543 1
1 217 . 11 1 1 A 23 23 ALA H H 21 8.135 7.523 0.612 1
1 218 . 11 1 1 A 23 23 ALA HA H 21 4.070 4.125 -0.055 1
1 222 . 11 1 1 A 23 23 ALA C C 21 178.000 177.689 0.311 1
1 223 . 11 1 1 A 23 23 ALA CA C 21 54.100 53.656 0.444 1
1 224 . 11 1 1 A 23 23 ALA CB C 21 18.713 18.333 0.380 1
1 225 . 11 1 1 A 23 23 ALA N N 21 117.156 121.641 -4.485 1
1 226 . 11 1 1 A 24 24 ASN H H 22 7.712 8.037 -0.325 1
1 227 . 11 1 1 A 24 24 ASN HA H 22 5.008 4.864 0.144 1
1 232 . 11 1 1 A 24 24 ASN C C 22 174.938 174.958 -0.020 1
1 233 . 11 1 1 A 24 24 ASN CA C 22 52.869 52.590 0.279 1
1 234 . 11 1 1 A 24 24 ASN CB C 22 40.573 39.298 1.275 1
1 235 . 11 1 1 A 24 24 ASN N N 22 112.819 115.274 -2.455 1
1 237 . 11 1 1 A 25 25 VAL H H 23 7.508 7.119 0.389 1
1 238 . 11 1 1 A 25 25 VAL HA H 23 4.896 4.310 0.586 1
1 246 . 11 1 1 A 25 25 VAL C C 23 175.829 175.182 0.647 1
1 247 . 11 1 1 A 25 25 VAL CA C 23 59.870 60.347 -0.477 1
1 248 . 11 1 1 A 25 25 VAL CB C 23 35.396 33.545 1.851 1
1 251 . 11 1 1 A 25 25 VAL N N 23 119.721 119.359 0.362 1
1 252 . 11 1 1 A 26 26 LYS H H 24 9.483 8.894 0.589 1
1 253 . 11 1 1 A 26 26 LYS HA H 24 4.350 4.443 -0.093 1
1 262 . 11 1 1 A 26 26 LYS C C 24 176.606 176.180 0.426 1
1 263 . 11 1 1 A 26 26 LYS CA C 24 58.977 56.690 2.287 1
1 264 . 11 1 1 A 26 26 LYS CB C 24 34.567 33.828 0.739 1
1 268 . 11 1 1 A 26 26 LYS N N 24 128.029 125.927 2.102 1
1 269 . 11 1 1 A 27 27 HIS H H 25 7.223 7.765 -0.542 1
1 270 . 11 1 1 A 27 27 HIS HA H 25 4.979 4.866 0.113 1
1 275 . 11 1 1 A 27 27 HIS C C 25 178.434 172.544 5.890 1
1 276 . 11 1 1 A 27 27 HIS CA C 25 55.406 54.689 0.717 1
1 277 . 11 1 1 A 27 27 HIS CB C 25 32.904 31.023 1.881 1
1 280 . 11 1 1 A 27 27 HIS N N 25 109.556 115.013 -5.457 1
1 281 . 11 1 1 A 28 28 LEU H H 26 8.149 8.661 -0.512 1
1 282 . 11 1 1 A 28 28 LEU HA H 26 5.190 5.200 -0.010 1
1 292 . 11 1 1 A 28 28 LEU C C 26 175.510 175.486 0.024 1
1 293 . 11 1 1 A 28 28 LEU CA C 26 53.480 53.311 0.169 1
1 294 . 11 1 1 A 28 28 LEU CB C 26 45.235 45.453 -0.218 1
1 298 . 11 1 1 A 28 28 LEU N N 26 117.106 119.984 -2.878 1
1 299 . 11 1 1 A 29 29 LYS H H 27 9.578 8.968 0.610 1
1 300 . 11 1 1 A 29 29 LYS HA H 27 5.385 5.106 0.279 1
1 309 . 11 1 1 A 29 29 LYS C C 27 174.801 174.395 0.406 1
1 310 . 11 1 1 A 29 29 LYS CA C 27 55.165 54.737 0.428 1
1 311 . 11 1 1 A 29 29 LYS CB C 27 35.253 35.358 -0.105 1
1 315 . 11 1 1 A 29 29 LYS N N 27 123.488 122.563 0.925 1
1 316 . 11 1 1 A 30 30 ILE H H 28 9.133 9.007 0.126 1
1 317 . 11 1 1 A 30 30 ILE HA H 28 4.925 4.840 0.085 1
1 327 . 11 1 1 A 30 30 ILE C C 28 176.949 174.979 1.970 1
1 328 . 11 1 1 A 30 30 ILE CA C 28 60.542 59.587 0.955 1
1 329 . 11 1 1 A 30 30 ILE CB C 28 39.600 39.633 -0.033 1
1 333 . 11 1 1 A 30 30 ILE N N 28 123.846 128.177 -4.331 1
1 334 . 11 1 1 A 31 31 LEU H H 29 8.830 9.023 -0.193 1
1 335 . 11 1 1 A 31 31 LEU HA H 29 4.533 5.031 -0.498 1
1 344 . 11 1 1 A 31 31 LEU C C 29 176.012 174.412 1.600 1
1 345 . 11 1 1 A 31 31 LEU CA C 29 55.406 53.423 1.983 1
1 346 . 11 1 1 A 31 31 LEU CB C 29 43.180 46.163 -2.983 1
1 349 . 11 1 1 A 31 31 LEU N N 29 128.649 124.283 4.366 1
1 350 . 11 1 1 A 32 32 ASN H H 30 8.211 8.953 -0.742 1
1 351 . 11 1 1 A 32 32 ASN HA H 30 5.014 5.250 -0.236 1
1 356 . 11 1 1 A 32 32 ASN C C 30 174.664 174.655 0.009 1
1 357 . 11 1 1 A 32 32 ASN CA C 30 52.517 51.808 0.709 1
1 358 . 11 1 1 A 32 32 ASN CB C 30 38.776 40.969 -2.193 1
1 359 . 11 1 1 A 32 32 ASN N N 30 120.791 120.198 0.593 1
1 361 . 11 1 1 A 33 33 THR H H 31 7.896 8.958 -1.062 1
1 362 . 11 1 1 A 33 33 THR HA H 31 4.842 4.751 0.091 1
1 367 . 11 1 1 A 33 33 THR CA C 31 58.369 59.955 -1.586 1
1 368 . 11 1 1 A 33 33 THR CB C 31 70.011 68.839 1.172 1
1 370 . 11 1 1 A 33 33 THR N N 31 115.811 116.802 -0.991 1
1 371 . 11 1 1 A 34 34 PRO HA H 32 4.317 4.368 -0.051 1
1 378 . 11 1 1 A 34 34 PRO CA C 32 65.164 64.131 1.033 1
1 379 . 11 1 1 A 34 34 PRO CB C 32 32.484 31.026 1.458 1
1 382 . 11 1 1 A 35 35 ASN H H 33 8.256 8.412 -0.156 1
1 383 . 11 1 1 A 35 35 ASN HA H 33 4.651 4.990 -0.339 1
1 388 . 11 1 1 A 35 35 ASN C C 33 174.710 174.045 0.665 1
1 389 . 11 1 1 A 35 35 ASN CA C 33 54.532 52.479 2.053 1
1 390 . 11 1 1 A 35 35 ASN CB C 33 39.167 40.198 -1.031 1
1 391 . 11 1 1 A 35 35 ASN N N 33 120.081 115.289 4.792 1
1 393 . 11 1 1 A 36 36 CYS H H 34 7.548 7.825 -0.277 1
1 394 . 11 1 1 A 36 36 CYS HA H 34 4.693 5.008 -0.315 1
1 397 . 11 1 1 A 36 36 CYS C C 34 173.865 173.187 0.678 1
1 398 . 11 1 1 A 36 36 CYS CA C 34 55.447 54.720 0.727 1
1 399 . 11 1 1 A 36 36 CYS CB C 34 45.228 47.815 -2.587 1
1 400 . 11 1 1 A 36 36 CYS N N 34 117.076 116.850 0.226 1
1 401 . 11 1 1 A 37 37 ALA H H 35 8.469 8.485 -0.016 1
1 402 . 11 1 1 A 37 37 ALA HA H 35 4.252 4.297 -0.045 1
1 406 . 11 1 1 A 37 37 ALA C C 35 176.423 177.097 -0.674 1
1 407 . 11 1 1 A 37 37 ALA CA C 35 53.537 51.770 1.767 1
1 408 . 11 1 1 A 37 37 ALA CB C 35 19.202 20.266 -1.064 1
1 409 . 11 1 1 A 37 37 ALA N N 35 125.153 125.047 0.106 1
1 410 . 11 1 1 A 38 38 CYS H H 36 8.315 8.318 -0.003 1
1 411 . 11 1 1 A 38 38 CYS HA H 36 4.211 4.255 -0.044 1
1 414 . 11 1 1 A 38 38 CYS C C 36 173.705 174.100 -0.395 1
1 415 . 11 1 1 A 38 38 CYS CA C 36 58.616 59.996 -1.380 1
1 416 . 11 1 1 A 38 38 CYS CB C 36 45.705 27.965 17.740 1
1 417 . 11 1 1 A 38 38 CYS N N 36 118.837 118.352 0.485 1
1 418 . 11 1 1 A 39 39 GLN H H 37 8.926 8.849 0.077 1
1 419 . 11 1 1 A 39 39 GLN HA H 37 4.609 4.653 -0.044 1
1 426 . 11 1 1 A 39 39 GLN C C 37 173.636 174.697 -1.061 1
1 427 . 11 1 1 A 39 39 GLN CA C 37 54.603 54.466 0.137 1
1 428 . 11 1 1 A 39 39 GLN CB C 37 31.761 29.925 1.836 1
1 430 . 11 1 1 A 39 39 GLN N N 37 128.567 125.197 3.370 1
1 432 . 11 1 1 A 40 40 ILE H H 38 8.874 8.831 0.043 1
1 433 . 11 1 1 A 40 40 ILE HA H 38 5.093 4.907 0.186 1
1 443 . 11 1 1 A 40 40 ILE C C 38 174.390 175.107 -0.717 1
1 444 . 11 1 1 A 40 40 ILE CA C 38 60.582 59.908 0.674 1
1 445 . 11 1 1 A 40 40 ILE CB C 38 40.048 38.463 1.585 1
1 449 . 11 1 1 A 40 40 ILE N N 38 123.962 126.321 -2.359 1
1 450 . 11 1 1 A 41 41 VAL H H 39 9.120 9.387 -0.267 1
1 451 . 11 1 1 A 41 41 VAL HA H 39 4.905 4.912 -0.007 1
1 459 . 11 1 1 A 41 41 VAL C C 39 175.487 175.113 0.374 1
1 460 . 11 1 1 A 41 41 VAL CA C 39 59.980 60.981 -1.001 1
1 461 . 11 1 1 A 41 41 VAL CB C 39 35.868 34.286 1.582 1
1 464 . 11 1 1 A 41 41 VAL N N 39 126.354 128.467 -2.113 1
1 465 . 11 1 1 A 42 42 ALA H H 40 9.513 9.323 0.190 1
1 466 . 11 1 1 A 42 42 ALA HA H 40 5.154 5.381 -0.227 1
1 470 . 11 1 1 A 42 42 ALA C C 40 175.944 174.981 0.963 1
1 471 . 11 1 1 A 42 42 ALA CA C 40 50.591 50.734 -0.143 1
1 472 . 11 1 1 A 42 42 ALA CB C 40 22.432 22.820 -0.388 1
1 473 . 11 1 1 A 42 42 ALA N N 40 128.406 128.265 0.141 1
1 474 . 11 1 1 A 43 43 ARG H H 41 7.706 9.002 -1.296 1
1 475 . 11 1 1 A 43 43 ARG HA H 41 4.978 4.951 0.027 1
1 482 . 11 1 1 A 43 43 ARG C C 41 175.510 176.192 -0.682 1
1 483 . 11 1 1 A 43 43 ARG CA C 41 54.162 54.977 -0.815 1
1 484 . 11 1 1 A 43 43 ARG CB C 41 31.200 32.331 -1.131 1
1 487 . 11 1 1 A 43 43 ARG N N 41 121.663 124.002 -2.339 1
1 488 . 11 1 1 A 44 44 LEU H H 42 9.164 8.484 0.680 1
1 489 . 11 1 1 A 44 44 LEU HA H 42 5.023 4.718 0.305 1
1 499 . 11 1 1 A 44 44 LEU C C 42 177.840 178.225 -0.385 1
1 500 . 11 1 1 A 44 44 LEU CA C 42 54.724 54.793 -0.069 1
1 501 . 11 1 1 A 44 44 LEU CB C 42 41.712 42.614 -0.902 1
1 505 . 11 1 1 A 44 44 LEU N N 42 129.087 127.244 1.843 1
1 506 . 11 1 1 A 45 45 LYS H H 43 8.414 8.946 -0.532 1
1 507 . 11 1 1 A 45 45 LYS HA H 43 3.954 4.094 -0.140 1
1 516 . 11 1 1 A 45 45 LYS CA C 43 59.016 58.888 0.128 1
1 517 . 11 1 1 A 45 45 LYS CB C 43 34.102 32.575 1.527 1
1 520 . 11 1 1 A 45 45 LYS N N 43 119.674 121.804 -2.130 1
1 521 . 11 1 1 A 48 48 ASN HA H 46 4.723 5.018 -0.295 1
1 526 . 11 1 1 A 48 48 ASN C C 46 175.098 174.377 0.721 1
1 527 . 11 1 1 A 48 48 ASN CA C 46 54.764 54.779 -0.015 1
1 528 . 11 1 1 A 48 48 ASN CB C 46 39.265 40.463 -1.198 1
1 530 . 11 1 1 A 49 49 ARG H H 47 7.914 8.139 -0.225 1
1 531 . 11 1 1 A 49 49 ARG HA H 47 4.352 4.704 -0.352 1
1 538 . 11 1 1 A 49 49 ARG C C 47 175.601 174.094 1.507 1
1 539 . 11 1 1 A 49 49 ARG CA C 47 57.051 54.070 2.981 1
1 540 . 11 1 1 A 49 49 ARG CB C 47 32.121 32.832 -0.711 1
1 543 . 11 1 1 A 49 49 ARG N N 47 119.826 115.283 4.543 1
1 544 . 11 1 1 A 50 50 GLN H H 48 8.542 8.728 -0.186 1
1 545 . 11 1 1 A 50 50 GLN HA H 48 5.495 5.044 0.451 1
1 552 . 11 1 1 A 50 50 GLN C C 48 175.578 175.242 0.336 1
1 553 . 11 1 1 A 50 50 GLN CA C 48 55.125 54.693 0.432 1
1 554 . 11 1 1 A 50 50 GLN CB C 48 32.121 30.846 1.275 1
1 556 . 11 1 1 A 50 50 GLN N N 48 120.767 119.882 0.885 1
1 558 . 11 1 1 A 51 51 VAL H H 49 8.649 9.138 -0.489 1
1 559 . 11 1 1 A 51 51 VAL HA H 49 4.833 4.943 -0.110 1
1 567 . 11 1 1 A 51 51 VAL C C 49 175.258 173.482 1.776 1
1 568 . 11 1 1 A 51 51 VAL CA C 49 59.338 59.377 -0.039 1
1 569 . 11 1 1 A 51 51 VAL CB C 49 36.155 35.299 0.856 1
1 572 . 11 1 1 A 51 51 VAL N N 49 116.678 119.203 -2.525 1
1 573 . 11 1 1 A 52 52 CYS H H 50 9.099 9.651 -0.552 1
1 574 . 11 1 1 A 52 52 CYS HA H 50 5.308 5.372 -0.064 1
1 577 . 11 1 1 A 52 52 CYS C C 50 174.527 172.605 1.922 1
1 578 . 11 1 1 A 52 52 CYS CA C 50 58.054 54.447 3.607 1
1 579 . 11 1 1 A 52 52 CYS CB C 50 43.375 45.564 -2.189 1
1 580 . 11 1 1 A 52 52 CYS N N 50 124.549 121.024 3.525 1
1 581 . 11 1 1 A 53 53 ILE H H 51 8.479 9.475 -0.996 1
1 582 . 11 1 1 A 53 53 ILE HA H 51 4.974 5.344 -0.370 1
1 592 . 11 1 1 A 53 53 ILE C C 51 173.019 174.709 -1.690 1
1 593 . 11 1 1 A 53 53 ILE CA C 51 58.897 59.747 -0.850 1
1 594 . 11 1 1 A 53 53 ILE CB C 51 42.201 40.995 1.206 1
1 598 . 11 1 1 A 53 53 ILE N N 51 122.581 126.315 -3.734 1
1 599 . 11 1 1 A 54 54 ASP H H 52 7.642 8.254 -0.612 1
1 600 . 11 1 1 A 54 54 ASP HA H 52 3.619 4.383 -0.764 1
1 603 . 11 1 1 A 54 54 ASP CA C 52 51.574 51.532 0.042 1
1 604 . 11 1 1 A 54 54 ASP CB C 52 42.515 41.904 0.611 1
1 605 . 11 1 1 A 54 54 ASP N N 52 125.772 125.365 0.407 1
1 606 . 11 1 1 A 55 55 PRO HA H 53 4.023 4.284 -0.261 1
1 613 . 11 1 1 A 55 55 PRO C C 53 176.126 176.485 -0.359 1
1 614 . 11 1 1 A 55 55 PRO CA C 53 63.993 63.812 0.181 1
1 615 . 11 1 1 A 55 55 PRO CB C 53 33.002 31.902 1.100 1
1 618 . 11 1 1 A 56 56 LYS H H 54 7.930 8.042 -0.112 1
1 619 . 11 1 1 A 56 56 LYS HA H 54 4.000 4.625 -0.625 1
1 628 . 11 1 1 A 56 56 LYS C C 54 177.931 176.253 1.678 1
1 629 . 11 1 1 A 56 56 LYS CA C 54 56.770 55.850 0.920 1
1 630 . 11 1 1 A 56 56 LYS CB C 54 32.023 33.052 -1.029 1
1 634 . 11 1 1 A 56 56 LYS N N 54 112.924 118.382 -5.458 1
1 635 . 11 1 1 A 57 57 LEU H H 55 7.161 6.769 0.392 1
1 636 . 11 1 1 A 57 57 LEU HA H 55 4.065 4.175 -0.110 1
1 646 . 11 1 1 A 57 57 LEU C C 55 179.416 177.606 1.810 1
1 647 . 11 1 1 A 57 57 LEU CA C 55 56.088 55.359 0.729 1
1 648 . 11 1 1 A 57 57 LEU CB C 55 42.397 41.739 0.658 1
1 652 . 11 1 1 A 57 57 LEU N N 55 120.593 121.610 -1.017 1
1 653 . 11 1 1 A 58 58 LYS H H 56 8.716 8.947 -0.231 1
1 654 . 11 1 1 A 58 58 LYS HA H 56 3.937 3.876 0.061 1
1 663 . 11 1 1 A 58 58 LYS C C 56 178.937 178.296 0.641 1
1 664 . 11 1 1 A 58 58 LYS CA C 56 60.301 59.838 0.463 1
1 665 . 11 1 1 A 58 58 LYS CB C 56 32.121 32.155 -0.034 1
1 669 . 11 1 1 A 58 58 LYS N N 56 125.479 124.759 0.720 1
1 670 . 11 1 1 A 59 59 TRP H H 57 7.827 8.358 -0.531 1
1 671 . 11 1 1 A 59 59 TRP HA H 57 4.664 4.545 0.119 1
1 680 . 11 1 1 A 59 59 TRP C C 57 178.868 179.320 -0.452 1
1 681 . 11 1 1 A 59 59 TRP CA C 57 58.897 59.896 -0.999 1
1 682 . 11 1 1 A 59 59 TRP CB C 57 28.036 28.075 -0.039 1
1 688 . 11 1 1 A 59 59 TRP N N 57 113.433 119.191 -5.758 1
1 690 . 11 1 1 A 60 60 ILE H H 58 6.458 7.561 -1.103 1
1 691 . 11 1 1 A 60 60 ILE HA H 58 3.325 3.352 -0.027 1
1 701 . 11 1 1 A 60 60 ILE C C 58 177.726 177.782 -0.056 1
1 702 . 11 1 1 A 60 60 ILE CA C 58 64.314 64.483 -0.169 1
1 703 . 11 1 1 A 60 60 ILE CB C 58 35.897 36.866 -0.969 1
1 707 . 11 1 1 A 60 60 ILE N N 58 124.379 122.460 1.919 1
1 708 . 11 1 1 A 61 61 GLN H H 59 7.622 8.608 -0.986 1
1 709 . 11 1 1 A 61 61 GLN HA H 59 3.763 3.896 -0.133 1
1 716 . 11 1 1 A 61 61 GLN C C 59 178.434 178.931 -0.497 1
1 717 . 11 1 1 A 61 61 GLN CA C 59 59.379 59.422 -0.043 1
1 718 . 11 1 1 A 61 61 GLN CB C 59 28.602 28.302 0.300 1
1 720 . 11 1 1 A 61 61 GLN N N 59 119.070 118.261 0.809 1
1 722 . 11 1 1 A 62 62 GLU H H 60 8.064 8.221 -0.157 1
1 723 . 11 1 1 A 62 62 GLU HA H 60 4.093 4.087 0.006 1
1 728 . 11 1 1 A 62 62 GLU C C 60 179.051 178.834 0.217 1
1 729 . 11 1 1 A 62 62 GLU CA C 60 59.659 59.479 0.180 1
1 730 . 11 1 1 A 62 62 GLU CB C 60 30.457 29.450 1.007 1
1 732 . 11 1 1 A 62 62 GLU N N 60 117.166 120.198 -3.032 1
1 733 . 11 1 1 A 63 63 TYR H H 61 7.913 8.210 -0.297 1
1 734 . 11 1 1 A 63 63 TYR HA H 61 4.265 4.280 -0.015 1
1 741 . 11 1 1 A 63 63 TYR C C 61 178.617 177.589 1.028 1
1 742 . 11 1 1 A 63 63 TYR CA C 61 61.184 61.654 -0.470 1
1 743 . 11 1 1 A 63 63 TYR CB C 61 39.461 38.829 0.632 1
1 746 . 11 1 1 A 63 63 TYR N N 61 121.271 122.024 -0.753 1
1 747 . 11 1 1 A 64 64 LEU H H 62 8.252 9.037 -0.785 1
1 748 . 11 1 1 A 64 64 LEU HA H 62 3.977 3.951 0.026 1
1 758 . 11 1 1 A 64 64 LEU C C 62 179.553 179.394 0.159 1
1 759 . 11 1 1 A 64 64 LEU CA C 62 58.014 58.279 -0.265 1
1 760 . 11 1 1 A 64 64 LEU CB C 62 42.397 41.767 0.630 1
1 764 . 11 1 1 A 64 64 LEU N N 62 116.299 120.378 -4.079 1
1 765 . 11 1 1 A 65 65 GLU H H 63 8.453 8.356 0.097 1
1 766 . 11 1 1 A 65 65 GLU HA H 63 3.853 4.003 -0.150 1
1 771 . 11 1 1 A 65 65 GLU C C 63 179.279 179.328 -0.049 1
1 772 . 11 1 1 A 65 65 GLU CA C 63 60.301 59.642 0.659 1
1 773 . 11 1 1 A 65 65 GLU CB C 63 29.870 29.231 0.639 1
1 775 . 11 1 1 A 65 65 GLU N N 63 118.616 117.787 0.829 1
1 776 . 11 1 1 A 66 66 LYS H H 64 7.571 7.973 -0.402 1
1 777 . 11 1 1 A 66 66 LYS HA H 64 4.225 4.046 0.179 1
1 786 . 11 1 1 A 66 66 LYS C C 64 178.457 179.425 -0.968 1
1 787 . 11 1 1 A 66 66 LYS CA C 64 58.496 58.925 -0.429 1
1 788 . 11 1 1 A 66 66 LYS CB C 64 32.400 31.843 0.557 1
1 792 . 11 1 1 A 66 66 LYS N N 64 117.166 119.206 -2.040 1
1 793 . 11 1 1 A 67 67 CYS H H 65 7.916 7.604 0.312 1
1 794 . 11 1 1 A 67 67 CYS HA H 65 4.561 4.081 0.480 1
1 797 . 11 1 1 A 67 67 CYS C C 65 174.893 176.864 -1.971 1
1 798 . 11 1 1 A 67 67 CYS CA C 65 56.329 62.074 -5.745 1
1 799 . 11 1 1 A 67 67 CYS CB C 65 45.235 27.456 17.779 1
1 800 . 11 1 1 A 67 67 CYS N N 65 115.312 119.150 -3.838 1
1 801 . 11 1 1 A 68 68 LEU H H 66 7.556 8.058 -0.502 1
1 802 . 11 1 1 A 68 68 LEU HA H 66 4.520 3.889 0.631 1
1 812 . 11 1 1 A 68 68 LEU C C 66 176.812 179.141 -2.329 1
1 813 . 11 1 1 A 68 68 LEU CA C 66 55.366 58.117 -2.751 1
1 814 . 11 1 1 A 68 68 LEU CB C 66 43.278 41.557 1.721 1
1 818 . 11 1 1 A 68 68 LEU N N 66 120.930 120.627 0.303 1
1 819 . 11 1 1 A 69 69 ASN H H 67 8.266 7.652 0.614 1
1 820 . 11 1 1 A 69 69 ASN HA H 67 4.681 4.684 -0.003 1
1 825 . 11 1 1 A 69 69 ASN CA C 67 53.761 54.971 -1.210 1
1 826 . 11 1 1 A 69 69 ASN CB C 67 39.069 39.079 -0.010 1
1 827 . 11 1 1 A 69 69 ASN N N 67 120.279 116.716 3.563 1
1 852 . 11 2 2 B 4 4 GLU H H 102 8.376 7.773 0.603 1
1 853 . 11 2 2 B 4 4 GLU HA H 102 4.335 4.558 -0.223 1
1 858 . 11 2 2 B 4 4 GLU C C 102 177.132 177.505 -0.373 1
1 859 . 11 2 2 B 4 4 GLU CA C 102 57.410 55.122 2.288 1
1 861 . 11 2 2 B 4 4 GLU N N 102 121.884 117.549 4.335 1
1 862 . 11 2 2 B 5 5 GLY H H 103 8.380 8.693 -0.313 1
1 863 . 11 2 2 B 5 5 GLY HA2 H 103 4.003 3.793 0.210 1
1 864 . 11 2 2 B 5 5 GLY HA3 H 103 4.003 3.796 0.207 1
1 865 . 11 2 2 B 5 5 GLY C C 103 174.207 173.923 0.284 1
1 866 . 11 2 2 B 5 5 GLY CA C 103 45.750 46.953 -1.203 1
1 867 . 11 2 2 B 5 5 GLY N N 103 110.055 110.571 -0.516 1
1 868 . 11 2 2 B 6 6 ILE H H 104 7.851 7.940 -0.089 1
1 869 . 11 2 2 B 6 6 ILE HA H 104 4.305 4.550 -0.245 1
1 879 . 11 2 2 B 6 6 ILE C C 104 176.401 175.380 1.021 1
1 880 . 11 2 2 B 6 6 ILE CA C 104 61.558 60.275 1.283 1
1 881 . 11 2 2 B 6 6 ILE CB C 104 39.436 37.945 1.491 1
1 885 . 11 2 2 B 6 6 ILE N N 104 119.606 120.573 -0.967 1
1 886 . 11 2 2 B 7 7 SER H H 105 8.369 8.823 -0.454 1
1 887 . 11 2 2 B 7 7 SER HA H 105 4.564 4.531 0.033 1
1 890 . 11 2 2 B 7 7 SER C C 105 174.550 172.749 1.801 1
1 891 . 11 2 2 B 7 7 SER CA C 105 58.667 59.524 -0.857 1
1 892 . 11 2 2 B 7 7 SER CB C 105 64.072 64.824 -0.752 1
1 893 . 11 2 2 B 7 7 SER N N 105 119.853 122.075 -2.222 1
1 894 . 11 2 2 B 8 8 ILE H H 106 7.953 7.957 -0.004 1
1 895 . 11 2 2 B 8 8 ILE HA H 106 4.224 4.380 -0.156 1
1 905 . 11 2 2 B 8 8 ILE C C 106 175.921 176.333 -0.412 1
1 906 . 11 2 2 B 8 8 ILE CA C 106 61.935 59.349 2.586 1
1 907 . 11 2 2 B 8 8 ILE CB C 106 39.436 40.145 -0.709 1
1 911 . 11 2 2 B 8 8 ILE N N 106 121.730 119.317 2.413 1
1 912 . 11 2 2 B 9 9 TYR H H 107 8.171 8.765 -0.594 1
1 913 . 11 2 2 B 9 9 TYR HA H 107 4.736 4.564 0.172 1
1 920 . 11 2 2 B 9 9 TYR C C 107 176.058 175.125 0.933 1
1 921 . 11 2 2 B 9 9 TYR CA C 107 58.165 57.842 0.323 1
1 922 . 11 2 2 B 9 9 TYR CB C 107 39.436 38.542 0.894 1
1 925 . 11 2 2 B 9 9 TYR N N 107 123.598 124.361 -0.763 1
1 926 . 11 2 2 B 10 10 THR H H 108 7.986 8.102 -0.116 1
1 927 . 11 2 2 B 10 10 THR HA H 108 4.452 3.924 0.528 1
1 932 . 11 2 2 B 10 10 THR C C 108 174.459 173.321 1.138 1
1 933 . 11 2 2 B 10 10 THR CA C 108 62.061 65.160 -3.099 1
1 934 . 11 2 2 B 10 10 THR CB C 108 70.608 66.819 3.789 1
1 936 . 11 2 2 B 10 10 THR N N 108 115.642 110.651 4.991 1
1 937 . 11 2 2 B 11 11 SER H H 109 8.193 7.826 0.367 1
1 938 . 11 2 2 B 11 11 SER HA H 109 4.526 4.985 -0.459 1
1 941 . 11 2 2 B 11 11 SER C C 109 174.504 172.726 1.778 1
1 942 . 11 2 2 B 11 11 SER CA C 109 58.919 57.800 1.119 1
1 943 . 11 2 2 B 11 11 SER CB C 109 64.198 67.325 -3.127 1
1 944 . 11 2 2 B 11 11 SER N N 109 117.597 115.265 2.332 1
1 945 . 11 2 2 B 12 12 ASP H H 110 8.351 8.733 -0.382 1
1 946 . 11 2 2 B 12 12 ASP HA H 110 4.650 5.355 -0.705 1
1 949 . 11 2 2 B 12 12 ASP C C 110 176.058 175.746 0.312 1
1 950 . 11 2 2 B 12 12 ASP CA C 110 55.022 52.079 2.943 1
1 951 . 11 2 2 B 12 12 ASP CB C 110 41.825 42.946 -1.121 1
1 952 . 11 2 2 B 12 12 ASP N N 110 122.020 120.643 1.377 1
1 953 . 11 2 2 B 13 13 ASN H H 111 8.230 8.942 -0.712 1
1 954 . 11 2 2 B 13 13 ASN HA H 111 4.745 5.003 -0.258 1
1 957 . 11 2 2 B 13 13 ASN C C 111 175.030 174.674 0.356 1
1 958 . 11 2 2 B 13 13 ASN CA C 111 53.765 52.184 1.581 1
1 959 . 11 2 2 B 13 13 ASN CB C 111 39.562 39.335 0.227 1
1 960 . 11 2 2 B 13 13 ASN N N 111 118.317 118.002 0.315 1
1 961 . 11 2 2 B 14 14 TYR H H 112 8.101 8.350 -0.249 1
1 962 . 11 2 2 B 14 14 TYR HA H 112 4.645 5.001 -0.356 1
1 969 . 11 2 2 B 14 14 TYR C C 112 176.081 175.147 0.934 1
1 970 . 11 2 2 B 14 14 TYR CA C 112 58.793 57.220 1.573 1
1 971 . 11 2 2 B 14 14 TYR CB C 112 39.436 40.506 -1.070 1
1 974 . 11 2 2 B 14 14 TYR N N 112 121.125 119.036 2.089 1
1 975 . 11 2 2 B 15 15 THR H H 113 7.900 8.471 -0.571 1
1 976 . 11 2 2 B 15 15 THR HA H 113 4.332 4.676 -0.344 1
1 981 . 11 2 2 B 15 15 THR C C 113 174.413 174.395 0.018 1
1 982 . 11 2 2 B 15 15 THR CA C 113 62.187 61.184 1.003 1
1 983 . 11 2 2 B 15 15 THR CB C 113 70.341 72.367 -2.026 1
1 985 . 11 2 2 B 15 15 THR N N 113 116.394 114.485 1.909 1
1 986 . 11 2 2 B 16 16 GLU H H 114 8.283 8.605 -0.322 1
1 987 . 11 2 2 B 16 16 GLU HA H 114 4.275 4.407 -0.132 1
1 992 . 11 2 2 B 16 16 GLU C C 114 176.766 176.259 0.507 1
1 993 . 11 2 2 B 16 16 GLU CA C 114 57.410 55.558 1.852 1
1 994 . 11 2 2 B 16 16 GLU CB C 114 30.638 30.428 0.210 1
1 996 . 11 2 2 B 16 16 GLU N N 114 123.052 123.727 -0.675 1
1 997 . 11 2 2 B 17 17 GLU H H 115 8.370 8.905 -0.535 1
1 998 . 11 2 2 B 17 17 GLU HA H 115 4.325 3.923 0.402 1
1 1003 . 11 2 2 B 17 17 GLU C C 115 176.880 174.911 1.969 1
1 1004 . 11 2 2 B 17 17 GLU CA C 115 57.410 57.170 0.240 1
1 1005 . 11 2 2 B 17 17 GLU CB C 115 30.512 28.079 2.433 1
1 1007 . 11 2 2 B 17 17 GLU N N 115 121.688 116.930 4.758 1
1 1008 . 11 2 2 B 18 18 MET H H 116 8.314 7.836 0.478 1
1 1009 . 11 2 2 B 18 18 MET HA H 116 4.509 4.799 -0.290 1
1 1014 . 11 2 2 B 18 18 MET C C 116 177.086 174.917 2.169 1
1 1015 . 11 2 2 B 18 18 MET CA C 116 56.279 55.352 0.927 1
1 1016 . 11 2 2 B 18 18 MET CB C 116 33.026 35.363 -2.337 1
1 1017 . 11 2 2 B 18 18 MET N N 116 121.270 118.459 2.811 1
1 1018 . 11 2 2 B 19 19 GLY H H 117 8.384 9.120 -0.736 1
1 1019 . 11 2 2 B 19 19 GLY HA2 H 117 4.061 4.229 -0.168 1
1 1020 . 11 2 2 B 19 19 GLY HA3 H 117 4.061 4.234 -0.173 1
1 1021 . 11 2 2 B 19 19 GLY C C 117 174.481 173.206 1.275 1
1 1022 . 11 2 2 B 19 19 GLY CA C 117 45.847 44.397 1.450 1
1 1023 . 11 2 2 B 19 19 GLY N N 117 110.055 113.470 -3.415 1
1 1024 . 11 2 2 B 20 20 SER H H 118 8.250 8.842 -0.592 1
1 1025 . 11 2 2 B 20 20 SER HA H 118 4.495 5.153 -0.658 1
1 1028 . 11 2 2 B 20 20 SER C C 118 175.327 173.546 1.781 1
1 1029 . 11 2 2 B 20 20 SER CA C 118 58.919 57.312 1.607 1
1 1030 . 11 2 2 B 20 20 SER CB C 118 64.575 67.775 -3.200 1
1 1031 . 11 2 2 B 20 20 SER N N 118 115.664 117.440 -1.776 1
1 1032 . 11 2 2 B 21 21 GLY H H 119 8.429 8.379 0.050 1
1 1033 . 11 2 2 B 21 21 GLY HA2 H 119 4.000 4.166 -0.166 1
1 1034 . 11 2 2 B 21 21 GLY HA3 H 119 4.000 4.171 -0.171 1
1 1035 . 11 2 2 B 21 21 GLY C C 119 174.002 172.425 1.577 1
1 1036 . 11 2 2 B 21 21 GLY CA C 119 45.721 45.836 -0.115 1
1 1037 . 11 2 2 B 21 21 GLY N N 119 110.872 108.927 1.945 1
1 1038 . 11 2 2 B 22 22 ASP H H 120 8.127 8.700 -0.573 1
1 1039 . 11 2 2 B 22 22 ASP HA H 120 4.634 4.645 -0.011 1
1 1042 . 11 2 2 B 22 22 ASP C C 120 176.355 177.059 -0.704 1
1 1043 . 11 2 2 B 22 22 ASP CA C 120 54.771 55.220 -0.449 1
1 1044 . 11 2 2 B 22 22 ASP CB C 120 41.699 42.143 -0.444 1
1 1045 . 11 2 2 B 22 22 ASP N N 120 120.530 124.574 -4.044 1
1 1046 . 11 2 2 B 23 23 TYR H H 121 8.097 8.877 -0.780 1
1 1047 . 11 2 2 B 23 23 TYR HA H 121 4.555 4.217 0.338 1
1 1054 . 11 2 2 B 23 23 TYR C C 121 176.058 174.939 1.119 1
1 1055 . 11 2 2 B 23 23 TYR CA C 121 58.667 61.701 -3.034 1
1 1056 . 11 2 2 B 23 23 TYR CB C 121 39.311 39.061 0.250 1
1 1059 . 11 2 2 B 23 23 TYR N N 121 120.584 126.930 -6.346 1
1 1060 . 11 2 2 B 24 24 ASP H H 122 8.224 7.910 0.314 1
1 1061 . 11 2 2 B 24 24 ASP HA H 122 4.621 4.933 -0.312 1
1 1064 . 11 2 2 B 24 24 ASP C C 122 176.835 174.224 2.611 1
1 1065 . 11 2 2 B 24 24 ASP CA C 122 55.022 54.331 0.691 1
1 1066 . 11 2 2 B 24 24 ASP CB C 122 41.825 45.173 -3.348 1
1 1067 . 11 2 2 B 24 24 ASP N N 122 121.815 118.851 2.964 1
1 1068 . 11 2 2 B 25 25 SER H H 123 8.137 8.903 -0.766 1
1 1069 . 11 2 2 B 25 25 SER HA H 123 4.394 4.779 -0.385 1
1 1072 . 11 2 2 B 25 25 SER C C 123 175.075 173.547 1.528 1
1 1073 . 11 2 2 B 25 25 SER CA C 123 59.547 58.294 1.253 1
1 1074 . 11 2 2 B 25 25 SER CB C 123 63.540 63.766 -0.226 1
1 1075 . 11 2 2 B 25 25 SER N N 123 116.405 119.593 -3.188 1
1 1076 . 11 2 2 B 26 26 MET H H 124 8.221 8.568 -0.347 1
1 1077 . 11 2 2 B 26 26 MET HA H 124 4.500 5.016 -0.516 1
1 1082 . 11 2 2 B 26 26 MET C C 124 176.355 174.127 2.228 1
1 1083 . 11 2 2 B 26 26 MET CA C 124 56.279 54.873 1.406 1
1 1084 . 11 2 2 B 26 26 MET CB C 124 32.900 35.813 -2.913 1
1 1086 . 11 2 2 B 26 26 MET N N 124 121.210 125.897 -4.687 1
1 1087 . 11 2 2 B 27 27 LYS H H 125 7.991 8.569 -0.578 1
1 1088 . 11 2 2 B 27 27 LYS HA H 125 4.352 5.071 -0.719 1
1 1097 . 11 2 2 B 27 27 LYS C C 125 176.355 175.509 0.846 1
1 1098 . 11 2 2 B 27 27 LYS CA C 125 56.656 54.663 1.993 1
1 1099 . 11 2 2 B 27 27 LYS CB C 125 33.529 36.189 -2.660 1
1 1103 . 11 2 2 B 27 27 LYS N N 125 121.457 122.896 -1.439 1
1 1104 . 11 2 2 B 28 28 GLU H H 126 8.216 8.802 -0.586 1
1 1105 . 11 2 2 B 28 28 GLU N N 126 122.890 118.063 4.827 1
1 1106 . 11 2 2 B 29 29 PRO HA H 127 4.396 4.449 -0.053 1
1 1113 . 11 2 2 B 29 29 PRO C C 127 176.812 174.363 2.449 1
1 1114 . 11 2 2 B 29 29 PRO CA C 127 63.821 61.961 1.860 1
1 1115 . 11 2 2 B 29 29 PRO CB C 127 32.272 28.910 3.362 1
1 1118 . 11 2 2 B 30 30 ALA H H 128 8.282 8.384 -0.102 1
1 1119 . 11 2 2 B 30 30 ALA HA H 128 4.316 4.352 -0.036 1
1 1123 . 11 2 2 B 30 30 ALA C C 128 177.589 176.079 1.510 1
1 1124 . 11 2 2 B 30 30 ALA CA C 128 53.192 50.785 2.407 1
1 1125 . 11 2 2 B 30 30 ALA CB C 128 19.703 19.728 -0.025 1
1 1126 . 11 2 2 B 30 30 ALA N N 128 123.577 124.584 -1.007 1
1 1127 . 11 2 2 B 31 31 PHE H H 129 8.035 8.899 -0.864 1
1 1128 . 11 2 2 B 31 31 PHE HA H 129 4.637 4.883 -0.246 1
1 1135 . 11 2 2 B 31 31 PHE C C 129 175.624 175.057 0.567 1
1 1136 . 11 2 2 B 31 31 PHE CA C 129 58.039 57.029 1.010 1
1 1137 . 11 2 2 B 31 31 PHE CB C 129 40.065 37.853 2.212 1
1 1140 . 11 2 2 B 31 31 PHE N N 129 118.994 124.585 -5.591 1
1 1141 . 11 2 2 B 32 32 ARG H H 130 8.066 8.368 -0.302 1
1 1142 . 11 2 2 B 32 32 ARG HA H 130 4.351 5.068 -0.717 1
1 1149 . 11 2 2 B 32 32 ARG C C 130 175.875 173.692 2.183 1
1 1150 . 11 2 2 B 32 32 ARG CA C 130 56.154 55.151 1.003 1
1 1151 . 11 2 2 B 32 32 ARG CB C 130 31.643 33.872 -2.229 1
1 1154 . 11 2 2 B 32 32 ARG N N 130 123.094 120.392 2.702 1
1 1155 . 11 2 2 B 33 33 GLU H H 131 8.389 8.667 -0.278 1
1 1156 . 11 2 2 B 33 33 GLU HA H 131 4.295 5.111 -0.816 1
1 1161 . 11 2 2 B 33 33 GLU C C 131 176.766 175.897 0.869 1
1 1162 . 11 2 2 B 33 33 GLU CA C 131 57.285 54.902 2.383 1
1 1163 . 11 2 2 B 33 33 GLU CB C 131 30.512 33.062 -2.550 1
1 1165 . 11 2 2 B 33 33 GLU N N 131 122.719 120.969 1.750 1
1 1166 . 11 2 2 B 34 34 GLU H H 132 8.526 8.786 -0.260 1
1 1167 . 11 2 2 B 34 34 GLU HA H 132 4.321 4.514 -0.193 1
1 1172 . 11 2 2 B 34 34 GLU C C 132 176.560 177.017 -0.457 1
1 1173 . 11 2 2 B 34 34 GLU CA C 132 57.400 57.777 -0.377 1
1 1174 . 11 2 2 B 34 34 GLU CB C 132 30.512 32.547 -2.035 1
1 1176 . 11 2 2 B 34 34 GLU N N 132 122.122 123.442 -1.320 1
1 1177 . 11 2 2 B 35 35 ASN H H 133 8.379 8.386 -0.007 1
1 1178 . 11 2 2 B 35 35 ASN HA H 133 4.712 4.755 -0.043 1
1 1181 . 11 2 2 B 35 35 ASN C C 133 175.258 174.947 0.311 1
1 1182 . 11 2 2 B 35 35 ASN CA C 133 53.765 52.707 1.058 1
1 1183 . 11 2 2 B 35 35 ASN CB C 133 39.562 37.548 2.014 1
1 1184 . 11 2 2 B 35 35 ASN N N 133 119.552 113.558 5.994 1
1 1185 . 11 2 2 B 36 36 ALA H H 134 8.175 7.698 0.477 1
1 1186 . 11 2 2 B 36 36 ALA HA H 134 4.308 4.460 -0.152 1
1 1190 . 11 2 2 B 36 36 ALA C C 134 177.520 176.454 1.066 1
1 1191 . 11 2 2 B 36 36 ALA CA C 134 53.192 50.926 2.266 1
1 1192 . 11 2 2 B 36 36 ALA CB C 134 19.703 18.802 0.901 1
1 1193 . 11 2 2 B 36 36 ALA N N 134 124.376 123.580 0.796 1
1 1194 . 11 2 2 B 37 37 ASN H H 135 8.238 8.285 -0.047 1
1 1195 . 11 2 2 B 37 37 ASN HA H 135 4.713 5.258 -0.545 1
1 1198 . 11 2 2 B 37 37 ASN C C 135 175.144 173.893 1.251 1
1 1199 . 11 2 2 B 37 37 ASN CA C 135 53.640 52.239 1.401 1
1 1200 . 11 2 2 B 37 37 ASN CB C 135 39.311 42.505 -3.194 1
1 1201 . 11 2 2 B 37 37 ASN N N 135 117.103 120.835 -3.732 1
1 1202 . 11 2 2 B 38 38 PHE H H 136 7.997 8.589 -0.592 1
1 1203 . 11 2 2 B 38 38 PHE HA H 136 4.678 4.629 0.049 1
1 1210 . 11 2 2 B 38 38 PHE C C 136 175.601 174.582 1.019 1
1 1211 . 11 2 2 B 38 38 PHE CA C 136 58.165 57.144 1.021 1
1 1212 . 11 2 2 B 38 38 PHE CB C 136 39.939 39.000 0.939 1
1 1215 . 11 2 2 B 38 38 PHE N N 136 120.229 121.024 -0.795 1
1 1216 . 11 2 2 B 39 39 ASN H H 137 8.272 8.546 -0.274 1
1 1217 . 11 2 2 B 39 39 ASN HA H 137 4.752 5.417 -0.665 1
1 1220 . 11 2 2 B 39 39 ASN C C 137 174.047 173.191 0.856 1
1 1221 . 11 2 2 B 39 39 ASN CA C 137 53.891 51.856 2.035 1
1 1222 . 11 2 2 B 39 39 ASN CB C 137 39.688 41.566 -1.878 1
1 1223 . 11 2 2 B 39 39 ASN N N 137 120.594 123.813 -3.219 1
1 3 . 12 1 1 A 4 4 PRO HA H 2 4.509 4.551 -0.042 1
1 10 . 12 1 1 A 4 4 PRO C C 2 177.132 176.126 1.006 1
1 11 . 12 1 1 A 4 4 PRO CA C 2 63.529 62.443 1.086 1
1 12 . 12 1 1 A 4 4 PRO CB C 2 32.476 32.520 -0.044 1
1 15 . 12 1 1 A 5 5 VAL H H 3 8.201 8.302 -0.101 1
1 16 . 12 1 1 A 5 5 VAL HA H 3 4.152 4.289 -0.137 1
1 24 . 12 1 1 A 5 5 VAL C C 3 176.423 174.622 1.801 1
1 25 . 12 1 1 A 5 5 VAL CA C 3 62.873 62.586 0.287 1
1 26 . 12 1 1 A 5 5 VAL CB C 3 33.455 31.757 1.698 1
1 28 . 12 1 1 A 5 5 VAL N N 3 120.488 122.170 -1.682 1
1 29 . 12 1 1 A 6 6 SER H H 4 8.276 8.302 -0.026 1
1 30 . 12 1 1 A 6 6 SER HA H 4 4.494 4.823 -0.329 1
1 33 . 12 1 1 A 6 6 SER C C 4 174.687 174.351 0.336 1
1 34 . 12 1 1 A 6 6 SER CA C 4 58.375 56.845 1.530 1
1 35 . 12 1 1 A 6 6 SER CB C 4 64.295 67.368 -3.073 1
1 36 . 12 1 1 A 6 6 SER N N 4 119.000 123.584 -4.584 1
1 37 . 12 1 1 A 7 7 LEU H H 5 8.238 8.993 -0.755 1
1 38 . 12 1 1 A 7 7 LEU HA H 5 4.406 3.984 0.422 1
1 44 . 12 1 1 A 7 7 LEU C C 5 177.406 175.403 2.003 1
1 45 . 12 1 1 A 7 7 LEU CA C 5 55.766 56.246 -0.480 1
1 46 . 12 1 1 A 7 7 LEU CB C 5 43.083 41.897 1.186 1
1 48 . 12 1 1 A 7 7 LEU N N 5 124.704 125.217 -0.513 1
1 49 . 12 1 1 A 8 8 SER H H 6 8.148 7.499 0.649 1
1 50 . 12 1 1 A 8 8 SER HA H 6 4.438 4.986 -0.548 1
1 53 . 12 1 1 A 8 8 SER C C 6 174.321 172.689 1.632 1
1 54 . 12 1 1 A 8 8 SER CA C 6 58.718 57.277 1.441 1
1 55 . 12 1 1 A 8 8 SER CB C 6 64.295 65.490 -1.195 1
1 56 . 12 1 1 A 8 8 SER N N 6 115.960 111.291 4.669 1
1 57 . 12 1 1 A 9 9 TYR H H 7 7.954 8.604 -0.650 1
1 58 . 12 1 1 A 9 9 TYR HA H 7 4.585 4.802 -0.217 1
1 65 . 12 1 1 A 9 9 TYR C C 7 175.532 175.363 0.169 1
1 66 . 12 1 1 A 9 9 TYR CA C 7 58.335 56.970 1.365 1
1 67 . 12 1 1 A 9 9 TYR CB C 7 39.474 37.837 1.637 1
1 70 . 12 1 1 A 9 9 TYR N N 7 121.884 120.290 1.594 1
1 71 . 12 1 1 A 10 10 ARG H H 8 8.117 8.101 0.016 1
1 72 . 12 1 1 A 10 10 ARG HA H 8 4.349 4.889 -0.540 1
1 79 . 12 1 1 A 10 10 ARG C C 8 175.898 174.816 1.082 1
1 80 . 12 1 1 A 10 10 ARG CA C 8 56.048 53.776 2.272 1
1 81 . 12 1 1 A 10 10 ARG CB C 8 31.492 34.563 -3.071 1
1 84 . 12 1 1 A 10 10 ARG N N 8 121.977 123.444 -1.467 1
1 85 . 12 1 1 A 11 11 CYS H H 9 8.127 8.756 -0.629 1
1 86 . 12 1 1 A 11 11 CYS HA H 9 5.004 4.939 0.065 1
1 89 . 12 1 1 A 11 11 CYS C C 9 177.771 173.748 4.023 1
1 90 . 12 1 1 A 11 11 CYS CA C 9 53.192 55.002 -1.810 1
1 91 . 12 1 1 A 11 11 CYS CB C 9 40.897 42.950 -2.053 1
1 92 . 12 1 1 A 11 11 CYS N N 9 121.209 120.123 1.086 1
1 93 . 12 1 1 A 12 12 PRO HA H 10 4.340 4.358 -0.018 1
1 100 . 12 1 1 A 12 12 PRO CA C 10 65.478 64.075 1.403 1
1 101 . 12 1 1 A 12 12 PRO CB C 10 32.904 31.005 1.899 1
1 104 . 12 1 1 A 13 13 CYS H H 11 8.662 7.843 0.819 1
1 105 . 12 1 1 A 13 13 CYS C C 11 174.618 174.344 0.274 1
1 106 . 12 1 1 A 13 13 CYS N N 11 114.595 118.570 -3.975 1
1 107 . 12 1 1 A 14 14 ARG H H 12 8.236 8.847 -0.611 1
1 108 . 12 1 1 A 14 14 ARG HA H 12 4.075 4.174 -0.099 1
1 115 . 12 1 1 A 14 14 ARG C C 12 175.098 176.275 -1.177 1
1 116 . 12 1 1 A 14 14 ARG CA C 12 57.370 57.814 -0.444 1
1 117 . 12 1 1 A 14 14 ARG CB C 12 31.631 30.915 0.716 1
1 120 . 12 1 1 A 14 14 ARG N N 12 122.779 127.108 -4.329 1
1 121 . 12 1 1 A 15 15 PHE H H 13 7.603 7.810 -0.207 1
1 122 . 12 1 1 A 15 15 PHE HA H 13 4.515 5.234 -0.719 1
1 129 . 12 1 1 A 15 15 PHE C C 13 174.162 174.734 -0.572 1
1 130 . 12 1 1 A 15 15 PHE CA C 13 56.289 56.522 -0.233 1
1 131 . 12 1 1 A 15 15 PHE CB C 13 41.320 42.698 -1.378 1
1 134 . 12 1 1 A 15 15 PHE N N 13 116.797 114.516 2.281 1
1 135 . 12 1 1 A 16 16 PHE H H 14 8.112 8.721 -0.609 1
1 136 . 12 1 1 A 16 16 PHE HA H 14 4.783 6.481 -1.698 1
1 143 . 12 1 1 A 16 16 PHE C C 14 175.441 173.521 1.920 1
1 144 . 12 1 1 A 16 16 PHE CA C 14 55.767 55.290 0.477 1
1 145 . 12 1 1 A 16 16 PHE CB C 14 41.320 42.300 -0.980 1
1 148 . 12 1 1 A 16 16 PHE N N 14 118.930 119.499 -0.569 1
1 149 . 12 1 1 A 17 17 GLU H H 15 8.820 8.774 0.046 1
1 150 . 12 1 1 A 17 17 GLU HA H 15 4.616 4.792 -0.176 1
1 155 . 12 1 1 A 17 17 GLU C C 15 176.857 176.808 0.049 1
1 156 . 12 1 1 A 17 17 GLU CA C 15 56.289 54.742 1.547 1
1 157 . 12 1 1 A 17 17 GLU CB C 15 31.173 32.631 -1.458 1
1 159 . 12 1 1 A 17 17 GLU N N 15 122.825 122.911 -0.086 1
1 160 . 12 1 1 A 18 18 SER H H 16 8.746 9.034 -0.288 1
1 161 . 12 1 1 A 18 18 SER HA H 16 4.759 4.527 0.232 1
1 164 . 12 1 1 A 18 18 SER C C 16 177.497 175.169 2.328 1
1 165 . 12 1 1 A 18 18 SER CA C 16 59.328 59.631 -0.303 1
1 166 . 12 1 1 A 18 18 SER CB C 16 64.515 63.290 1.225 1
1 167 . 12 1 1 A 18 18 SER N N 16 118.860 121.831 -2.971 1
1 168 . 12 1 1 A 19 19 HIS H H 17 8.761 7.975 0.786 1
1 169 . 12 1 1 A 19 19 HIS HA H 17 4.859 4.818 0.041 1
1 174 . 12 1 1 A 19 19 HIS C C 17 174.618 175.419 -0.801 1
1 175 . 12 1 1 A 19 19 HIS CA C 17 56.449 55.928 0.521 1
1 176 . 12 1 1 A 19 19 HIS CB C 17 29.870 30.479 -0.609 1
1 179 . 12 1 1 A 19 19 HIS N N 17 120.535 117.901 2.634 1
1 180 . 12 1 1 A 20 20 VAL H H 18 7.211 7.475 -0.264 1
1 181 . 12 1 1 A 20 20 VAL HA H 18 4.160 3.995 0.165 1
1 189 . 12 1 1 A 20 20 VAL C C 18 174.436 175.332 -0.896 1
1 190 . 12 1 1 A 20 20 VAL CA C 18 62.167 63.347 -1.180 1
1 191 . 12 1 1 A 20 20 VAL CB C 18 34.426 32.169 2.257 1
1 193 . 12 1 1 A 20 20 VAL N N 18 120.872 121.077 -0.205 1
1 194 . 12 1 1 A 21 21 ALA H H 19 8.535 8.243 0.292 1
1 195 . 12 1 1 A 21 21 ALA HA H 19 4.402 4.548 -0.146 1
1 199 . 12 1 1 A 21 21 ALA C C 19 177.657 178.390 -0.733 1
1 200 . 12 1 1 A 21 21 ALA CA C 19 51.193 50.562 0.631 1
1 201 . 12 1 1 A 21 21 ALA CB C 19 19.790 20.305 -0.515 1
1 202 . 12 1 1 A 21 21 ALA N N 19 131.339 129.018 2.321 1
1 203 . 12 1 1 A 22 22 ARG H H 20 7.815 7.964 -0.149 1
1 204 . 12 1 1 A 22 22 ARG HA H 20 2.495 3.383 -0.888 1
1 211 . 12 1 1 A 22 22 ARG C C 20 178.365 176.866 1.499 1
1 212 . 12 1 1 A 22 22 ARG CA C 20 59.379 57.505 1.874 1
1 213 . 12 1 1 A 22 22 ARG CB C 20 29.572 28.842 0.730 1
1 216 . 12 1 1 A 22 22 ARG N N 20 124.365 122.764 1.601 1
1 217 . 12 1 1 A 23 23 ALA H H 21 8.135 7.285 0.850 1
1 218 . 12 1 1 A 23 23 ALA HA H 21 4.070 4.103 -0.033 1
1 222 . 12 1 1 A 23 23 ALA C C 21 178.000 177.471 0.529 1
1 223 . 12 1 1 A 23 23 ALA CA C 21 54.100 53.384 0.716 1
1 224 . 12 1 1 A 23 23 ALA CB C 21 18.713 18.372 0.341 1
1 225 . 12 1 1 A 23 23 ALA N N 21 117.156 122.258 -5.102 1
1 226 . 12 1 1 A 24 24 ASN H H 22 7.712 7.932 -0.220 1
1 227 . 12 1 1 A 24 24 ASN HA H 22 5.008 4.842 0.166 1
1 232 . 12 1 1 A 24 24 ASN C C 22 174.938 174.735 0.203 1
1 233 . 12 1 1 A 24 24 ASN CA C 22 52.869 52.289 0.580 1
1 234 . 12 1 1 A 24 24 ASN CB C 22 40.573 38.807 1.766 1
1 235 . 12 1 1 A 24 24 ASN N N 22 112.819 115.333 -2.514 1
1 237 . 12 1 1 A 25 25 VAL H H 23 7.508 7.380 0.128 1
1 238 . 12 1 1 A 25 25 VAL HA H 23 4.896 4.365 0.531 1
1 246 . 12 1 1 A 25 25 VAL C C 23 175.829 175.680 0.149 1
1 247 . 12 1 1 A 25 25 VAL CA C 23 59.870 59.590 0.280 1
1 248 . 12 1 1 A 25 25 VAL CB C 23 35.396 33.858 1.538 1
1 251 . 12 1 1 A 25 25 VAL N N 23 119.721 120.227 -0.506 1
1 252 . 12 1 1 A 26 26 LYS H H 24 9.483 9.343 0.140 1
1 253 . 12 1 1 A 26 26 LYS HA H 24 4.350 4.190 0.160 1
1 262 . 12 1 1 A 26 26 LYS C C 24 176.606 176.283 0.323 1
1 263 . 12 1 1 A 26 26 LYS CA C 24 58.977 57.360 1.617 1
1 264 . 12 1 1 A 26 26 LYS CB C 24 34.567 32.717 1.850 1
1 268 . 12 1 1 A 26 26 LYS N N 24 128.029 126.535 1.494 1
1 269 . 12 1 1 A 27 27 HIS H H 25 7.223 7.490 -0.267 1
1 270 . 12 1 1 A 27 27 HIS HA H 25 4.979 4.859 0.120 1
1 275 . 12 1 1 A 27 27 HIS C C 25 178.434 172.579 5.855 1
1 276 . 12 1 1 A 27 27 HIS CA C 25 55.406 54.758 0.648 1
1 277 . 12 1 1 A 27 27 HIS CB C 25 32.904 31.037 1.867 1
1 280 . 12 1 1 A 27 27 HIS N N 25 109.556 114.170 -4.614 1
1 281 . 12 1 1 A 28 28 LEU H H 26 8.149 8.763 -0.614 1
1 282 . 12 1 1 A 28 28 LEU HA H 26 5.190 5.364 -0.174 1
1 292 . 12 1 1 A 28 28 LEU C C 26 175.510 175.255 0.255 1
1 293 . 12 1 1 A 28 28 LEU CA C 26 53.480 53.443 0.037 1
1 294 . 12 1 1 A 28 28 LEU CB C 26 45.235 44.913 0.322 1
1 298 . 12 1 1 A 28 28 LEU N N 26 117.106 119.909 -2.803 1
1 299 . 12 1 1 A 29 29 LYS H H 27 9.578 9.237 0.341 1
1 300 . 12 1 1 A 29 29 LYS HA H 27 5.385 5.019 0.366 1
1 309 . 12 1 1 A 29 29 LYS C C 27 174.801 174.924 -0.123 1
1 310 . 12 1 1 A 29 29 LYS CA C 27 55.165 54.745 0.420 1
1 311 . 12 1 1 A 29 29 LYS CB C 27 35.253 34.885 0.368 1
1 315 . 12 1 1 A 29 29 LYS N N 27 123.488 124.258 -0.770 1
1 316 . 12 1 1 A 30 30 ILE H H 28 9.133 9.048 0.085 1
1 317 . 12 1 1 A 30 30 ILE HA H 28 4.925 5.073 -0.148 1
1 327 . 12 1 1 A 30 30 ILE C C 28 176.949 174.863 2.086 1
1 328 . 12 1 1 A 30 30 ILE CA C 28 60.542 59.891 0.651 1
1 329 . 12 1 1 A 30 30 ILE CB C 28 39.600 38.588 1.012 1
1 333 . 12 1 1 A 30 30 ILE N N 28 123.846 127.905 -4.059 1
1 334 . 12 1 1 A 31 31 LEU H H 29 8.830 9.006 -0.176 1
1 335 . 12 1 1 A 31 31 LEU HA H 29 4.533 5.094 -0.561 1
1 344 . 12 1 1 A 31 31 LEU C C 29 176.012 175.054 0.958 1
1 345 . 12 1 1 A 31 31 LEU CA C 29 55.406 53.002 2.404 1
1 346 . 12 1 1 A 31 31 LEU CB C 29 43.180 42.620 0.560 1
1 349 . 12 1 1 A 31 31 LEU N N 29 128.649 126.365 2.284 1
1 350 . 12 1 1 A 32 32 ASN H H 30 8.211 8.683 -0.472 1
1 351 . 12 1 1 A 32 32 ASN HA H 30 5.014 5.092 -0.078 1
1 356 . 12 1 1 A 32 32 ASN C C 30 174.664 175.894 -1.230 1
1 357 . 12 1 1 A 32 32 ASN CA C 30 52.517 53.032 -0.515 1
1 358 . 12 1 1 A 32 32 ASN CB C 30 38.776 39.184 -0.408 1
1 359 . 12 1 1 A 32 32 ASN N N 30 120.791 123.676 -2.885 1
1 361 . 12 1 1 A 33 33 THR H H 31 7.896 9.273 -1.377 1
1 362 . 12 1 1 A 33 33 THR HA H 31 4.842 4.972 -0.130 1
1 367 . 12 1 1 A 33 33 THR CA C 31 58.369 60.020 -1.651 1
1 368 . 12 1 1 A 33 33 THR CB C 31 70.011 69.088 0.923 1
1 370 . 12 1 1 A 33 33 THR N N 31 115.811 116.332 -0.521 1
1 371 . 12 1 1 A 34 34 PRO HA H 32 4.317 4.472 -0.155 1
1 378 . 12 1 1 A 34 34 PRO CA C 32 65.164 64.233 0.931 1
1 379 . 12 1 1 A 34 34 PRO CB C 32 32.484 31.236 1.248 1
1 382 . 12 1 1 A 35 35 ASN H H 33 8.256 8.394 -0.138 1
1 383 . 12 1 1 A 35 35 ASN HA H 33 4.651 4.923 -0.272 1
1 388 . 12 1 1 A 35 35 ASN C C 33 174.710 174.453 0.257 1
1 389 . 12 1 1 A 35 35 ASN CA C 33 54.532 52.586 1.946 1
1 390 . 12 1 1 A 35 35 ASN CB C 33 39.167 39.447 -0.280 1
1 391 . 12 1 1 A 35 35 ASN N N 33 120.081 113.646 6.435 1
1 393 . 12 1 1 A 36 36 CYS H H 34 7.548 7.272 0.276 1
1 394 . 12 1 1 A 36 36 CYS HA H 34 4.693 4.899 -0.206 1
1 397 . 12 1 1 A 36 36 CYS C C 34 173.865 173.749 0.116 1
1 398 . 12 1 1 A 36 36 CYS CA C 34 55.447 54.829 0.618 1
1 399 . 12 1 1 A 36 36 CYS CB C 34 45.228 45.896 -0.668 1
1 400 . 12 1 1 A 36 36 CYS N N 34 117.076 117.376 -0.300 1
1 401 . 12 1 1 A 37 37 ALA H H 35 8.469 8.455 0.014 1
1 402 . 12 1 1 A 37 37 ALA HA H 35 4.252 4.108 0.144 1
1 406 . 12 1 1 A 37 37 ALA C C 35 176.423 176.900 -0.477 1
1 407 . 12 1 1 A 37 37 ALA CA C 35 53.537 55.354 -1.817 1
1 408 . 12 1 1 A 37 37 ALA CB C 35 19.202 19.189 0.013 1
1 409 . 12 1 1 A 37 37 ALA N N 35 125.153 124.982 0.171 1
1 410 . 12 1 1 A 38 38 CYS H H 36 8.315 7.731 0.584 1
1 411 . 12 1 1 A 38 38 CYS HA H 36 4.211 5.118 -0.907 1
1 414 . 12 1 1 A 38 38 CYS C C 36 173.705 172.352 1.353 1
1 415 . 12 1 1 A 38 38 CYS CA C 36 58.616 57.873 0.743 1
1 416 . 12 1 1 A 38 38 CYS CB C 36 45.705 30.425 15.280 1
1 417 . 12 1 1 A 38 38 CYS N N 36 118.837 113.906 4.931 1
1 418 . 12 1 1 A 39 39 GLN H H 37 8.926 9.455 -0.529 1
1 419 . 12 1 1 A 39 39 GLN HA H 37 4.609 4.919 -0.310 1
1 426 . 12 1 1 A 39 39 GLN C C 37 173.636 174.923 -1.287 1
1 427 . 12 1 1 A 39 39 GLN CA C 37 54.603 54.589 0.014 1
1 428 . 12 1 1 A 39 39 GLN CB C 37 31.761 30.224 1.537 1
1 430 . 12 1 1 A 39 39 GLN N N 37 128.567 125.394 3.173 1
1 432 . 12 1 1 A 40 40 ILE H H 38 8.874 8.980 -0.106 1
1 433 . 12 1 1 A 40 40 ILE HA H 38 5.093 5.124 -0.031 1
1 443 . 12 1 1 A 40 40 ILE C C 38 174.390 174.668 -0.278 1
1 444 . 12 1 1 A 40 40 ILE CA C 38 60.582 59.842 0.740 1
1 445 . 12 1 1 A 40 40 ILE CB C 38 40.048 39.984 0.064 1
1 449 . 12 1 1 A 40 40 ILE N N 38 123.962 125.632 -1.670 1
1 450 . 12 1 1 A 41 41 VAL H H 39 9.120 9.099 0.021 1
1 451 . 12 1 1 A 41 41 VAL HA H 39 4.905 4.827 0.078 1
1 459 . 12 1 1 A 41 41 VAL C C 39 175.487 174.675 0.812 1
1 460 . 12 1 1 A 41 41 VAL CA C 39 59.980 61.288 -1.308 1
1 461 . 12 1 1 A 41 41 VAL CB C 39 35.868 33.395 2.473 1
1 464 . 12 1 1 A 41 41 VAL N N 39 126.354 129.196 -2.842 1
1 465 . 12 1 1 A 42 42 ALA H H 40 9.513 9.586 -0.073 1
1 466 . 12 1 1 A 42 42 ALA HA H 40 5.154 5.670 -0.516 1
1 470 . 12 1 1 A 42 42 ALA C C 40 175.944 175.236 0.708 1
1 471 . 12 1 1 A 42 42 ALA CA C 40 50.591 50.031 0.560 1
1 472 . 12 1 1 A 42 42 ALA CB C 40 22.432 21.660 0.772 1
1 473 . 12 1 1 A 42 42 ALA N N 40 128.406 129.730 -1.324 1
1 474 . 12 1 1 A 43 43 ARG H H 41 7.706 8.475 -0.769 1
1 475 . 12 1 1 A 43 43 ARG HA H 41 4.978 5.018 -0.040 1
1 482 . 12 1 1 A 43 43 ARG C C 41 175.510 175.860 -0.350 1
1 483 . 12 1 1 A 43 43 ARG CA C 41 54.162 54.464 -0.302 1
1 484 . 12 1 1 A 43 43 ARG CB C 41 31.200 32.894 -1.694 1
1 487 . 12 1 1 A 43 43 ARG N N 41 121.663 123.491 -1.828 1
1 488 . 12 1 1 A 44 44 LEU H H 42 9.164 8.449 0.715 1
1 489 . 12 1 1 A 44 44 LEU HA H 42 5.023 4.501 0.522 1
1 499 . 12 1 1 A 44 44 LEU C C 42 177.840 176.618 1.222 1
1 500 . 12 1 1 A 44 44 LEU CA C 42 54.724 55.523 -0.799 1
1 501 . 12 1 1 A 44 44 LEU CB C 42 41.712 42.018 -0.306 1
1 505 . 12 1 1 A 44 44 LEU N N 42 129.087 127.428 1.659 1
1 506 . 12 1 1 A 45 45 LYS H H 43 8.414 9.149 -0.735 1
1 507 . 12 1 1 A 45 45 LYS HA H 43 3.954 4.306 -0.352 1
1 516 . 12 1 1 A 45 45 LYS CA C 43 59.016 58.039 0.977 1
1 517 . 12 1 1 A 45 45 LYS CB C 43 34.102 33.084 1.018 1
1 520 . 12 1 1 A 45 45 LYS N N 43 119.674 122.625 -2.951 1
1 521 . 12 1 1 A 48 48 ASN HA H 46 4.723 4.966 -0.243 1
1 526 . 12 1 1 A 48 48 ASN C C 46 175.098 175.124 -0.026 1
1 527 . 12 1 1 A 48 48 ASN CA C 46 54.764 52.797 1.967 1
1 528 . 12 1 1 A 48 48 ASN CB C 46 39.265 39.995 -0.730 1
1 530 . 12 1 1 A 49 49 ARG H H 47 7.914 7.181 0.733 1
1 531 . 12 1 1 A 49 49 ARG HA H 47 4.352 4.460 -0.108 1
1 538 . 12 1 1 A 49 49 ARG C C 47 175.601 175.716 -0.115 1
1 539 . 12 1 1 A 49 49 ARG CA C 47 57.051 55.650 1.401 1
1 540 . 12 1 1 A 49 49 ARG CB C 47 32.121 31.359 0.762 1
1 543 . 12 1 1 A 49 49 ARG N N 47 119.826 117.964 1.862 1
1 544 . 12 1 1 A 50 50 GLN H H 48 8.542 8.821 -0.279 1
1 545 . 12 1 1 A 50 50 GLN HA H 48 5.495 5.081 0.414 1
1 552 . 12 1 1 A 50 50 GLN C C 48 175.578 175.143 0.435 1
1 553 . 12 1 1 A 50 50 GLN CA C 48 55.125 54.494 0.631 1
1 554 . 12 1 1 A 50 50 GLN CB C 48 32.121 31.518 0.603 1
1 556 . 12 1 1 A 50 50 GLN N N 48 120.767 117.618 3.149 1
1 558 . 12 1 1 A 51 51 VAL H H 49 8.649 9.559 -0.910 1
1 559 . 12 1 1 A 51 51 VAL HA H 49 4.833 4.946 -0.113 1
1 567 . 12 1 1 A 51 51 VAL C C 49 175.258 173.802 1.456 1
1 568 . 12 1 1 A 51 51 VAL CA C 49 59.338 59.383 -0.045 1
1 569 . 12 1 1 A 51 51 VAL CB C 49 36.155 35.043 1.112 1
1 572 . 12 1 1 A 51 51 VAL N N 49 116.678 117.298 -0.620 1
1 573 . 12 1 1 A 52 52 CYS H H 50 9.099 8.906 0.193 1
1 574 . 12 1 1 A 52 52 CYS HA H 50 5.308 5.438 -0.130 1
1 577 . 12 1 1 A 52 52 CYS C C 50 174.527 172.883 1.644 1
1 578 . 12 1 1 A 52 52 CYS CA C 50 58.054 54.645 3.409 1
1 579 . 12 1 1 A 52 52 CYS CB C 50 43.375 45.422 -2.047 1
1 580 . 12 1 1 A 52 52 CYS N N 50 124.549 120.744 3.805 1
1 581 . 12 1 1 A 53 53 ILE H H 51 8.479 9.050 -0.571 1
1 582 . 12 1 1 A 53 53 ILE HA H 51 4.974 4.936 0.038 1
1 592 . 12 1 1 A 53 53 ILE C C 51 173.019 174.915 -1.896 1
1 593 . 12 1 1 A 53 53 ILE CA C 51 58.897 59.743 -0.846 1
1 594 . 12 1 1 A 53 53 ILE CB C 51 42.201 41.418 0.783 1
1 598 . 12 1 1 A 53 53 ILE N N 51 122.581 125.501 -2.920 1
1 599 . 12 1 1 A 54 54 ASP H H 52 7.642 8.436 -0.794 1
1 600 . 12 1 1 A 54 54 ASP HA H 52 3.619 4.344 -0.725 1
1 603 . 12 1 1 A 54 54 ASP CA C 52 51.574 51.642 -0.068 1
1 604 . 12 1 1 A 54 54 ASP CB C 52 42.515 41.715 0.800 1
1 605 . 12 1 1 A 54 54 ASP N N 52 125.772 125.867 -0.095 1
1 606 . 12 1 1 A 55 55 PRO HA H 53 4.023 4.365 -0.342 1
1 613 . 12 1 1 A 55 55 PRO C C 53 176.126 176.026 0.100 1
1 614 . 12 1 1 A 55 55 PRO CA C 53 63.993 63.903 0.090 1
1 615 . 12 1 1 A 55 55 PRO CB C 53 33.002 32.007 0.995 1
1 618 . 12 1 1 A 56 56 LYS H H 54 7.930 7.723 0.207 1
1 619 . 12 1 1 A 56 56 LYS HA H 54 4.000 4.466 -0.466 1
1 628 . 12 1 1 A 56 56 LYS C C 54 177.931 176.098 1.833 1
1 629 . 12 1 1 A 56 56 LYS CA C 54 56.770 55.694 1.076 1
1 630 . 12 1 1 A 56 56 LYS CB C 54 32.023 33.688 -1.665 1
1 634 . 12 1 1 A 56 56 LYS N N 54 112.924 117.269 -4.345 1
1 635 . 12 1 1 A 57 57 LEU H H 55 7.161 7.291 -0.130 1
1 636 . 12 1 1 A 57 57 LEU HA H 55 4.065 4.157 -0.092 1
1 646 . 12 1 1 A 57 57 LEU C C 55 179.416 177.370 2.046 1
1 647 . 12 1 1 A 57 57 LEU CA C 55 56.088 55.124 0.964 1
1 648 . 12 1 1 A 57 57 LEU CB C 55 42.397 42.586 -0.189 1
1 652 . 12 1 1 A 57 57 LEU N N 55 120.593 123.556 -2.963 1
1 653 . 12 1 1 A 58 58 LYS H H 56 8.716 8.993 -0.277 1
1 654 . 12 1 1 A 58 58 LYS HA H 56 3.937 3.880 0.057 1
1 663 . 12 1 1 A 58 58 LYS C C 56 178.937 178.096 0.841 1
1 664 . 12 1 1 A 58 58 LYS CA C 56 60.301 59.839 0.462 1
1 665 . 12 1 1 A 58 58 LYS CB C 56 32.121 32.303 -0.182 1
1 669 . 12 1 1 A 58 58 LYS N N 56 125.479 126.617 -1.138 1
1 670 . 12 1 1 A 59 59 TRP H H 57 7.827 8.299 -0.472 1
1 671 . 12 1 1 A 59 59 TRP HA H 57 4.664 4.527 0.137 1
1 680 . 12 1 1 A 59 59 TRP C C 57 178.868 179.331 -0.463 1
1 681 . 12 1 1 A 59 59 TRP CA C 57 58.897 59.944 -1.047 1
1 682 . 12 1 1 A 59 59 TRP CB C 57 28.036 28.075 -0.039 1
1 688 . 12 1 1 A 59 59 TRP N N 57 113.433 118.991 -5.558 1
1 690 . 12 1 1 A 60 60 ILE H H 58 6.458 7.377 -0.919 1
1 691 . 12 1 1 A 60 60 ILE HA H 58 3.325 3.576 -0.251 1
1 701 . 12 1 1 A 60 60 ILE C C 58 177.726 177.772 -0.046 1
1 702 . 12 1 1 A 60 60 ILE CA C 58 64.314 64.885 -0.571 1
1 703 . 12 1 1 A 60 60 ILE CB C 58 35.897 37.088 -1.191 1
1 707 . 12 1 1 A 60 60 ILE N N 58 124.379 122.600 1.779 1
1 708 . 12 1 1 A 61 61 GLN H H 59 7.622 8.140 -0.518 1
1 709 . 12 1 1 A 61 61 GLN HA H 59 3.763 3.906 -0.143 1
1 716 . 12 1 1 A 61 61 GLN C C 59 178.434 179.178 -0.744 1
1 717 . 12 1 1 A 61 61 GLN CA C 59 59.379 59.347 0.032 1
1 718 . 12 1 1 A 61 61 GLN CB C 59 28.602 28.438 0.164 1
1 720 . 12 1 1 A 61 61 GLN N N 59 119.070 118.428 0.642 1
1 722 . 12 1 1 A 62 62 GLU H H 60 8.064 7.992 0.072 1
1 723 . 12 1 1 A 62 62 GLU HA H 60 4.093 4.110 -0.017 1
1 728 . 12 1 1 A 62 62 GLU C C 60 179.051 178.820 0.231 1
1 729 . 12 1 1 A 62 62 GLU CA C 60 59.659 59.345 0.314 1
1 730 . 12 1 1 A 62 62 GLU CB C 60 30.457 29.663 0.794 1
1 732 . 12 1 1 A 62 62 GLU N N 60 117.166 120.667 -3.501 1
1 733 . 12 1 1 A 63 63 TYR H H 61 7.913 8.059 -0.146 1
1 734 . 12 1 1 A 63 63 TYR HA H 61 4.265 4.285 -0.020 1
1 741 . 12 1 1 A 63 63 TYR C C 61 178.617 177.520 1.097 1
1 742 . 12 1 1 A 63 63 TYR CA C 61 61.184 61.650 -0.466 1
1 743 . 12 1 1 A 63 63 TYR CB C 61 39.461 38.771 0.690 1
1 746 . 12 1 1 A 63 63 TYR N N 61 121.271 122.541 -1.270 1
1 747 . 12 1 1 A 64 64 LEU H H 62 8.252 8.849 -0.597 1
1 748 . 12 1 1 A 64 64 LEU HA H 62 3.977 3.925 0.052 1
1 758 . 12 1 1 A 64 64 LEU C C 62 179.553 179.548 0.005 1
1 759 . 12 1 1 A 64 64 LEU CA C 62 58.014 58.223 -0.209 1
1 760 . 12 1 1 A 64 64 LEU CB C 62 42.397 41.651 0.746 1
1 764 . 12 1 1 A 64 64 LEU N N 62 116.299 120.084 -3.785 1
1 765 . 12 1 1 A 65 65 GLU H H 63 8.453 7.902 0.551 1
1 766 . 12 1 1 A 65 65 GLU HA H 63 3.853 3.960 -0.107 1
1 771 . 12 1 1 A 65 65 GLU C C 63 179.279 179.535 -0.256 1
1 772 . 12 1 1 A 65 65 GLU CA C 63 60.301 59.564 0.737 1
1 773 . 12 1 1 A 65 65 GLU CB C 63 29.870 29.244 0.626 1
1 775 . 12 1 1 A 65 65 GLU N N 63 118.616 117.282 1.334 1
1 776 . 12 1 1 A 66 66 LYS H H 64 7.571 8.337 -0.766 1
1 777 . 12 1 1 A 66 66 LYS HA H 64 4.225 3.995 0.230 1
1 786 . 12 1 1 A 66 66 LYS C C 64 178.457 179.656 -1.199 1
1 787 . 12 1 1 A 66 66 LYS CA C 64 58.496 59.241 -0.745 1
1 788 . 12 1 1 A 66 66 LYS CB C 64 32.400 32.388 0.012 1
1 792 . 12 1 1 A 66 66 LYS N N 64 117.166 119.028 -1.862 1
1 793 . 12 1 1 A 67 67 CYS H H 65 7.916 8.153 -0.237 1
1 794 . 12 1 1 A 67 67 CYS HA H 65 4.561 4.044 0.517 1
1 797 . 12 1 1 A 67 67 CYS C C 65 174.893 176.525 -1.632 1
1 798 . 12 1 1 A 67 67 CYS CA C 65 56.329 63.434 -7.105 1
1 799 . 12 1 1 A 67 67 CYS CB C 65 45.235 26.993 18.242 1
1 800 . 12 1 1 A 67 67 CYS N N 65 115.312 118.798 -3.486 1
1 801 . 12 1 1 A 68 68 LEU H H 66 7.556 7.421 0.135 1
1 802 . 12 1 1 A 68 68 LEU HA H 66 4.520 4.173 0.347 1
1 812 . 12 1 1 A 68 68 LEU C C 66 176.812 177.109 -0.297 1
1 813 . 12 1 1 A 68 68 LEU CA C 66 55.366 56.274 -0.908 1
1 814 . 12 1 1 A 68 68 LEU CB C 66 43.278 41.033 2.245 1
1 818 . 12 1 1 A 68 68 LEU N N 66 120.930 117.646 3.284 1
1 819 . 12 1 1 A 69 69 ASN H H 67 8.266 7.916 0.350 1
1 820 . 12 1 1 A 69 69 ASN HA H 67 4.681 4.788 -0.107 1
1 825 . 12 1 1 A 69 69 ASN CA C 67 53.761 52.975 0.786 1
1 826 . 12 1 1 A 69 69 ASN CB C 67 39.069 39.679 -0.610 1
1 827 . 12 1 1 A 69 69 ASN N N 67 120.279 116.883 3.396 1
1 852 . 12 2 2 B 4 4 GLU H H 102 8.376 7.817 0.559 1
1 853 . 12 2 2 B 4 4 GLU HA H 102 4.335 4.425 -0.090 1
1 858 . 12 2 2 B 4 4 GLU C C 102 177.132 176.934 0.198 1
1 859 . 12 2 2 B 4 4 GLU CA C 102 57.410 57.037 0.373 1
1 861 . 12 2 2 B 4 4 GLU N N 102 121.884 118.487 3.397 1
1 862 . 12 2 2 B 5 5 GLY H H 103 8.380 8.508 -0.128 1
1 863 . 12 2 2 B 5 5 GLY HA2 H 103 4.003 4.135 -0.132 1
1 864 . 12 2 2 B 5 5 GLY HA3 H 103 4.003 4.140 -0.137 1
1 865 . 12 2 2 B 5 5 GLY C C 103 174.207 175.013 -0.806 1
1 866 . 12 2 2 B 5 5 GLY CA C 103 45.750 44.573 1.177 1
1 867 . 12 2 2 B 5 5 GLY N N 103 110.055 114.252 -4.197 1
1 868 . 12 2 2 B 6 6 ILE H H 104 7.851 8.715 -0.864 1
1 869 . 12 2 2 B 6 6 ILE HA H 104 4.305 4.198 0.107 1
1 879 . 12 2 2 B 6 6 ILE C C 104 176.401 176.383 0.018 1
1 880 . 12 2 2 B 6 6 ILE CA C 104 61.558 62.766 -1.208 1
1 881 . 12 2 2 B 6 6 ILE CB C 104 39.436 38.697 0.739 1
1 885 . 12 2 2 B 6 6 ILE N N 104 119.606 121.111 -1.505 1
1 886 . 12 2 2 B 7 7 SER H H 105 8.369 8.183 0.186 1
1 887 . 12 2 2 B 7 7 SER HA H 105 4.564 4.403 0.161 1
1 890 . 12 2 2 B 7 7 SER C C 105 174.550 174.021 0.529 1
1 891 . 12 2 2 B 7 7 SER CA C 105 58.667 60.126 -1.459 1
1 892 . 12 2 2 B 7 7 SER CB C 105 64.072 63.415 0.657 1
1 893 . 12 2 2 B 7 7 SER N N 105 119.853 116.621 3.232 1
1 894 . 12 2 2 B 8 8 ILE H H 106 7.953 7.917 0.036 1
1 895 . 12 2 2 B 8 8 ILE HA H 106 4.224 3.888 0.336 1
1 905 . 12 2 2 B 8 8 ILE C C 106 175.921 175.809 0.112 1
1 906 . 12 2 2 B 8 8 ILE CA C 106 61.935 61.894 0.041 1
1 907 . 12 2 2 B 8 8 ILE CB C 106 39.436 36.675 2.761 1
1 911 . 12 2 2 B 8 8 ILE N N 106 121.730 119.908 1.822 1
1 912 . 12 2 2 B 9 9 TYR H H 107 8.171 8.375 -0.204 1
1 913 . 12 2 2 B 9 9 TYR HA H 107 4.736 4.640 0.096 1
1 920 . 12 2 2 B 9 9 TYR C C 107 176.058 175.806 0.252 1
1 921 . 12 2 2 B 9 9 TYR CA C 107 58.165 59.429 -1.264 1
1 922 . 12 2 2 B 9 9 TYR CB C 107 39.436 39.240 0.196 1
1 925 . 12 2 2 B 9 9 TYR N N 107 123.598 128.552 -4.954 1
1 926 . 12 2 2 B 10 10 THR H H 108 7.986 8.040 -0.054 1
1 927 . 12 2 2 B 10 10 THR HA H 108 4.452 4.889 -0.437 1
1 932 . 12 2 2 B 10 10 THR C C 108 174.459 172.696 1.763 1
1 933 . 12 2 2 B 10 10 THR CA C 108 62.061 60.016 2.045 1
1 934 . 12 2 2 B 10 10 THR CB C 108 70.608 71.868 -1.260 1
1 936 . 12 2 2 B 10 10 THR N N 108 115.642 113.149 2.493 1
1 937 . 12 2 2 B 11 11 SER H H 109 8.193 8.929 -0.736 1
1 938 . 12 2 2 B 11 11 SER HA H 109 4.526 4.960 -0.434 1
1 941 . 12 2 2 B 11 11 SER C C 109 174.504 173.657 0.847 1
1 942 . 12 2 2 B 11 11 SER CA C 109 58.919 56.732 2.187 1
1 943 . 12 2 2 B 11 11 SER CB C 109 64.198 66.891 -2.693 1
1 944 . 12 2 2 B 11 11 SER N N 109 117.597 121.879 -4.282 1
1 945 . 12 2 2 B 12 12 ASP H H 110 8.351 9.607 -1.256 1
1 946 . 12 2 2 B 12 12 ASP HA H 110 4.650 4.559 0.091 1
1 949 . 12 2 2 B 12 12 ASP C C 110 176.058 177.122 -1.064 1
1 950 . 12 2 2 B 12 12 ASP CA C 110 55.022 55.952 -0.930 1
1 951 . 12 2 2 B 12 12 ASP CB C 110 41.825 40.550 1.275 1
1 952 . 12 2 2 B 12 12 ASP N N 110 122.020 126.529 -4.509 1
1 953 . 12 2 2 B 13 13 ASN H H 111 8.230 8.833 -0.603 1
1 954 . 12 2 2 B 13 13 ASN HA H 111 4.745 4.524 0.221 1
1 957 . 12 2 2 B 13 13 ASN C C 111 175.030 174.514 0.516 1
1 958 . 12 2 2 B 13 13 ASN CA C 111 53.765 55.652 -1.887 1
1 959 . 12 2 2 B 13 13 ASN CB C 111 39.562 38.620 0.942 1
1 960 . 12 2 2 B 13 13 ASN N N 111 118.317 116.001 2.316 1
1 961 . 12 2 2 B 14 14 TYR H H 112 8.101 7.940 0.161 1
1 962 . 12 2 2 B 14 14 TYR HA H 112 4.645 5.194 -0.549 1
1 969 . 12 2 2 B 14 14 TYR C C 112 176.081 175.114 0.967 1
1 970 . 12 2 2 B 14 14 TYR CA C 112 58.793 56.750 2.043 1
1 971 . 12 2 2 B 14 14 TYR CB C 112 39.436 41.678 -2.242 1
1 974 . 12 2 2 B 14 14 TYR N N 112 121.125 115.890 5.235 1
1 975 . 12 2 2 B 15 15 THR H H 113 7.900 8.601 -0.701 1
1 976 . 12 2 2 B 15 15 THR HA H 113 4.332 4.341 -0.009 1
1 981 . 12 2 2 B 15 15 THR C C 113 174.413 175.223 -0.810 1
1 982 . 12 2 2 B 15 15 THR CA C 113 62.187 61.613 0.574 1
1 983 . 12 2 2 B 15 15 THR CB C 113 70.341 68.731 1.610 1
1 985 . 12 2 2 B 15 15 THR N N 113 116.394 117.423 -1.029 1
1 986 . 12 2 2 B 16 16 GLU H H 114 8.283 8.979 -0.696 1
1 987 . 12 2 2 B 16 16 GLU HA H 114 4.275 4.447 -0.172 1
1 992 . 12 2 2 B 16 16 GLU C C 114 176.766 175.091 1.675 1
1 993 . 12 2 2 B 16 16 GLU CA C 114 57.410 56.503 0.907 1
1 994 . 12 2 2 B 16 16 GLU CB C 114 30.638 30.044 0.594 1
1 996 . 12 2 2 B 16 16 GLU N N 114 123.052 128.787 -5.735 1
1 997 . 12 2 2 B 17 17 GLU H H 115 8.370 7.808 0.562 1
1 998 . 12 2 2 B 17 17 GLU HA H 115 4.325 4.940 -0.615 1
1 1003 . 12 2 2 B 17 17 GLU C C 115 176.880 175.566 1.314 1
1 1004 . 12 2 2 B 17 17 GLU CA C 115 57.410 54.680 2.730 1
1 1005 . 12 2 2 B 17 17 GLU CB C 115 30.512 33.168 -2.656 1
1 1007 . 12 2 2 B 17 17 GLU N N 115 121.688 117.216 4.472 1
1 1008 . 12 2 2 B 18 18 MET H H 116 8.314 8.741 -0.427 1
1 1009 . 12 2 2 B 18 18 MET HA H 116 4.509 5.094 -0.585 1
1 1014 . 12 2 2 B 18 18 MET C C 116 177.086 175.727 1.359 1
1 1015 . 12 2 2 B 18 18 MET CA C 116 56.279 54.550 1.729 1
1 1016 . 12 2 2 B 18 18 MET CB C 116 33.026 34.167 -1.141 1
1 1017 . 12 2 2 B 18 18 MET N N 116 121.270 119.532 1.738 1
1 1018 . 12 2 2 B 19 19 GLY H H 117 8.384 8.292 0.092 1
1 1019 . 12 2 2 B 19 19 GLY HA2 H 117 4.061 4.166 -0.105 1
1 1020 . 12 2 2 B 19 19 GLY HA3 H 117 4.061 4.168 -0.107 1
1 1021 . 12 2 2 B 19 19 GLY C C 117 174.481 172.244 2.237 1
1 1022 . 12 2 2 B 19 19 GLY CA C 117 45.847 45.792 0.055 1
1 1023 . 12 2 2 B 19 19 GLY N N 117 110.055 107.288 2.767 1
1 1024 . 12 2 2 B 20 20 SER H H 118 8.250 8.744 -0.494 1
1 1025 . 12 2 2 B 20 20 SER HA H 118 4.495 5.280 -0.785 1
1 1028 . 12 2 2 B 20 20 SER C C 118 175.327 173.094 2.233 1
1 1029 . 12 2 2 B 20 20 SER CA C 118 58.919 56.989 1.930 1
1 1030 . 12 2 2 B 20 20 SER CB C 118 64.575 65.955 -1.380 1
1 1031 . 12 2 2 B 20 20 SER N N 118 115.664 116.815 -1.151 1
1 1032 . 12 2 2 B 21 21 GLY H H 119 8.429 9.187 -0.758 1
1 1033 . 12 2 2 B 21 21 GLY HA2 H 119 4.000 4.166 -0.166 1
1 1034 . 12 2 2 B 21 21 GLY HA3 H 119 4.000 4.167 -0.167 1
1 1035 . 12 2 2 B 21 21 GLY C C 119 174.002 172.252 1.750 1
1 1036 . 12 2 2 B 21 21 GLY CA C 119 45.721 44.478 1.243 1
1 1037 . 12 2 2 B 21 21 GLY N N 119 110.872 111.569 -0.697 1
1 1038 . 12 2 2 B 22 22 ASP H H 120 8.127 8.270 -0.143 1
1 1039 . 12 2 2 B 22 22 ASP HA H 120 4.634 5.429 -0.795 1
1 1042 . 12 2 2 B 22 22 ASP C C 120 176.355 176.183 0.172 1
1 1043 . 12 2 2 B 22 22 ASP CA C 120 54.771 52.385 2.386 1
1 1044 . 12 2 2 B 22 22 ASP CB C 120 41.699 42.887 -1.188 1
1 1045 . 12 2 2 B 22 22 ASP N N 120 120.530 119.012 1.518 1
1 1046 . 12 2 2 B 23 23 TYR H H 121 8.097 8.939 -0.842 1
1 1047 . 12 2 2 B 23 23 TYR HA H 121 4.555 4.439 0.116 1
1 1054 . 12 2 2 B 23 23 TYR C C 121 176.058 174.759 1.299 1
1 1055 . 12 2 2 B 23 23 TYR CA C 121 58.667 60.225 -1.558 1
1 1056 . 12 2 2 B 23 23 TYR CB C 121 39.311 40.254 -0.943 1
1 1059 . 12 2 2 B 23 23 TYR N N 121 120.584 121.611 -1.027 1
1 1060 . 12 2 2 B 24 24 ASP H H 122 8.224 7.850 0.374 1
1 1061 . 12 2 2 B 24 24 ASP HA H 122 4.621 4.922 -0.301 1
1 1064 . 12 2 2 B 24 24 ASP C C 122 176.835 175.001 1.834 1
1 1065 . 12 2 2 B 24 24 ASP CA C 122 55.022 54.104 0.918 1
1 1066 . 12 2 2 B 24 24 ASP CB C 122 41.825 43.264 -1.439 1
1 1067 . 12 2 2 B 24 24 ASP N N 122 121.815 118.710 3.105 1
1 1068 . 12 2 2 B 25 25 SER H H 123 8.137 8.555 -0.418 1
1 1069 . 12 2 2 B 25 25 SER HA H 123 4.394 4.403 -0.009 1
1 1072 . 12 2 2 B 25 25 SER C C 123 175.075 173.604 1.471 1
1 1073 . 12 2 2 B 25 25 SER CA C 123 59.547 60.396 -0.849 1
1 1074 . 12 2 2 B 25 25 SER CB C 123 63.540 62.101 1.439 1
1 1075 . 12 2 2 B 25 25 SER N N 123 116.405 121.632 -5.227 1
1 1076 . 12 2 2 B 26 26 MET H H 124 8.221 8.386 -0.165 1
1 1077 . 12 2 2 B 26 26 MET HA H 124 4.500 5.129 -0.629 1
1 1082 . 12 2 2 B 26 26 MET C C 124 176.355 174.518 1.837 1
1 1083 . 12 2 2 B 26 26 MET CA C 124 56.279 53.886 2.393 1
1 1084 . 12 2 2 B 26 26 MET CB C 124 32.900 35.526 -2.626 1
1 1086 . 12 2 2 B 26 26 MET N N 124 121.210 119.299 1.911 1
1 1087 . 12 2 2 B 27 27 LYS H H 125 7.991 8.556 -0.565 1
1 1088 . 12 2 2 B 27 27 LYS HA H 125 4.352 4.840 -0.488 1
1 1097 . 12 2 2 B 27 27 LYS C C 125 176.355 174.981 1.374 1
1 1098 . 12 2 2 B 27 27 LYS CA C 125 56.656 54.433 2.223 1
1 1099 . 12 2 2 B 27 27 LYS CB C 125 33.529 36.226 -2.697 1
1 1103 . 12 2 2 B 27 27 LYS N N 125 121.457 119.701 1.756 1
1 1104 . 12 2 2 B 28 28 GLU H H 126 8.216 8.965 -0.749 1
1 1105 . 12 2 2 B 28 28 GLU N N 126 122.890 118.219 4.671 1
1 1106 . 12 2 2 B 29 29 PRO HA H 127 4.396 4.333 0.063 1
1 1113 . 12 2 2 B 29 29 PRO C C 127 176.812 175.692 1.120 1
1 1114 . 12 2 2 B 29 29 PRO CA C 127 63.821 62.992 0.829 1
1 1115 . 12 2 2 B 29 29 PRO CB C 127 32.272 32.483 -0.211 1
1 1118 . 12 2 2 B 30 30 ALA H H 128 8.282 7.887 0.395 1
1 1119 . 12 2 2 B 30 30 ALA HA H 128 4.316 4.502 -0.186 1
1 1123 . 12 2 2 B 30 30 ALA C C 128 177.589 175.728 1.861 1
1 1124 . 12 2 2 B 30 30 ALA CA C 128 53.192 51.227 1.965 1
1 1125 . 12 2 2 B 30 30 ALA CB C 128 19.703 22.747 -3.044 1
1 1126 . 12 2 2 B 30 30 ALA N N 128 123.577 122.134 1.443 1
1 1127 . 12 2 2 B 31 31 PHE H H 129 8.035 8.434 -0.399 1
1 1128 . 12 2 2 B 31 31 PHE HA H 129 4.637 4.654 -0.017 1
1 1135 . 12 2 2 B 31 31 PHE C C 129 175.624 175.456 0.168 1
1 1136 . 12 2 2 B 31 31 PHE CA C 129 58.039 57.334 0.705 1
1 1137 . 12 2 2 B 31 31 PHE CB C 129 40.065 39.593 0.472 1
1 1140 . 12 2 2 B 31 31 PHE N N 129 118.994 119.401 -0.407 1
1 1141 . 12 2 2 B 32 32 ARG H H 130 8.066 7.748 0.318 1
1 1142 . 12 2 2 B 32 32 ARG HA H 130 4.351 4.650 -0.299 1
1 1149 . 12 2 2 B 32 32 ARG C C 130 175.875 175.961 -0.086 1
1 1150 . 12 2 2 B 32 32 ARG CA C 130 56.154 54.988 1.166 1
1 1151 . 12 2 2 B 32 32 ARG CB C 130 31.643 31.832 -0.189 1
1 1154 . 12 2 2 B 32 32 ARG N N 130 123.094 119.069 4.025 1
1 1155 . 12 2 2 B 33 33 GLU H H 131 8.389 8.580 -0.191 1
1 1156 . 12 2 2 B 33 33 GLU HA H 131 4.295 4.390 -0.095 1
1 1161 . 12 2 2 B 33 33 GLU C C 131 176.766 176.861 -0.095 1
1 1162 . 12 2 2 B 33 33 GLU CA C 131 57.285 56.651 0.634 1
1 1163 . 12 2 2 B 33 33 GLU CB C 131 30.512 29.835 0.677 1
1 1165 . 12 2 2 B 33 33 GLU N N 131 122.719 120.090 2.629 1
1 1166 . 12 2 2 B 34 34 GLU H H 132 8.526 8.406 0.120 1
1 1167 . 12 2 2 B 34 34 GLU HA H 132 4.321 4.579 -0.258 1
1 1172 . 12 2 2 B 34 34 GLU C C 132 176.560 175.775 0.785 1
1 1173 . 12 2 2 B 34 34 GLU CA C 132 57.400 56.069 1.331 1
1 1174 . 12 2 2 B 34 34 GLU CB C 132 30.512 30.540 -0.028 1
1 1176 . 12 2 2 B 34 34 GLU N N 132 122.122 123.888 -1.766 1
1 1177 . 12 2 2 B 35 35 ASN H H 133 8.379 9.019 -0.640 1
1 1178 . 12 2 2 B 35 35 ASN HA H 133 4.712 5.125 -0.413 1
1 1181 . 12 2 2 B 35 35 ASN C C 133 175.258 172.701 2.557 1
1 1182 . 12 2 2 B 35 35 ASN CA C 133 53.765 52.361 1.404 1
1 1183 . 12 2 2 B 35 35 ASN CB C 133 39.562 42.109 -2.547 1
1 1184 . 12 2 2 B 35 35 ASN N N 133 119.552 117.326 2.226 1
1 1185 . 12 2 2 B 36 36 ALA H H 134 8.175 8.835 -0.660 1
1 1186 . 12 2 2 B 36 36 ALA HA H 134 4.308 4.881 -0.573 1
1 1190 . 12 2 2 B 36 36 ALA C C 134 177.520 175.373 2.147 1
1 1191 . 12 2 2 B 36 36 ALA CA C 134 53.192 49.987 3.205 1
1 1192 . 12 2 2 B 36 36 ALA CB C 134 19.703 20.591 -0.888 1
1 1193 . 12 2 2 B 36 36 ALA N N 134 124.376 122.357 2.019 1
1 1194 . 12 2 2 B 37 37 ASN H H 135 8.238 8.872 -0.634 1
1 1195 . 12 2 2 B 37 37 ASN HA H 135 4.713 4.796 -0.083 1
1 1198 . 12 2 2 B 37 37 ASN C C 135 175.144 173.752 1.392 1
1 1199 . 12 2 2 B 37 37 ASN CA C 135 53.640 51.895 1.745 1
1 1200 . 12 2 2 B 37 37 ASN CB C 135 39.311 38.394 0.917 1
1 1201 . 12 2 2 B 37 37 ASN N N 135 117.103 123.629 -6.526 1
1 1202 . 12 2 2 B 38 38 PHE H H 136 7.997 8.956 -0.959 1
1 1203 . 12 2 2 B 38 38 PHE HA H 136 4.678 4.826 -0.148 1
1 1210 . 12 2 2 B 38 38 PHE C C 136 175.601 174.968 0.633 1
1 1211 . 12 2 2 B 38 38 PHE CA C 136 58.165 57.779 0.386 1
1 1212 . 12 2 2 B 38 38 PHE CB C 136 39.939 38.837 1.102 1
1 1215 . 12 2 2 B 38 38 PHE N N 136 120.229 126.663 -6.434 1
1 1216 . 12 2 2 B 39 39 ASN H H 137 8.272 8.147 0.125 1
1 1217 . 12 2 2 B 39 39 ASN HA H 137 4.752 4.979 -0.227 1
1 1220 . 12 2 2 B 39 39 ASN C C 137 174.047 174.469 -0.422 1
1 1221 . 12 2 2 B 39 39 ASN CA C 137 53.891 53.127 0.764 1
1 1222 . 12 2 2 B 39 39 ASN CB C 137 39.688 40.490 -0.802 1
1 1223 . 12 2 2 B 39 39 ASN N N 137 120.594 122.570 -1.976 1
1 3 . 13 1 1 A 4 4 PRO HA H 2 4.509 4.654 -0.145 1
1 10 . 13 1 1 A 4 4 PRO C C 2 177.132 177.153 -0.021 1
1 11 . 13 1 1 A 4 4 PRO CA C 2 63.529 62.612 0.917 1
1 12 . 13 1 1 A 4 4 PRO CB C 2 32.476 31.847 0.629 1
1 15 . 13 1 1 A 5 5 VAL H H 3 8.201 8.480 -0.279 1
1 16 . 13 1 1 A 5 5 VAL HA H 3 4.152 4.217 -0.065 1
1 24 . 13 1 1 A 5 5 VAL C C 3 176.423 175.875 0.548 1
1 25 . 13 1 1 A 5 5 VAL CA C 3 62.873 62.807 0.066 1
1 26 . 13 1 1 A 5 5 VAL CB C 3 33.455 32.401 1.054 1
1 28 . 13 1 1 A 5 5 VAL N N 3 120.488 119.628 0.860 1
1 29 . 13 1 1 A 6 6 SER H H 4 8.276 7.629 0.647 1
1 30 . 13 1 1 A 6 6 SER HA H 4 4.494 4.864 -0.370 1
1 33 . 13 1 1 A 6 6 SER C C 4 174.687 172.657 2.030 1
1 34 . 13 1 1 A 6 6 SER CA C 4 58.375 57.726 0.649 1
1 35 . 13 1 1 A 6 6 SER CB C 4 64.295 65.495 -1.200 1
1 36 . 13 1 1 A 6 6 SER N N 4 119.000 114.356 4.644 1
1 37 . 13 1 1 A 7 7 LEU H H 5 8.238 8.998 -0.760 1
1 38 . 13 1 1 A 7 7 LEU HA H 5 4.406 4.772 -0.366 1
1 44 . 13 1 1 A 7 7 LEU C C 5 177.406 175.510 1.896 1
1 45 . 13 1 1 A 7 7 LEU CA C 5 55.766 54.319 1.447 1
1 46 . 13 1 1 A 7 7 LEU CB C 5 43.083 40.702 2.381 1
1 48 . 13 1 1 A 7 7 LEU N N 5 124.704 128.235 -3.531 1
1 49 . 13 1 1 A 8 8 SER H H 6 8.148 8.471 -0.323 1
1 50 . 13 1 1 A 8 8 SER HA H 6 4.438 4.888 -0.450 1
1 53 . 13 1 1 A 8 8 SER C C 6 174.321 173.272 1.049 1
1 54 . 13 1 1 A 8 8 SER CA C 6 58.718 56.824 1.894 1
1 55 . 13 1 1 A 8 8 SER CB C 6 64.295 65.874 -1.579 1
1 56 . 13 1 1 A 8 8 SER N N 6 115.960 117.677 -1.717 1
1 57 . 13 1 1 A 9 9 TYR H H 7 7.954 8.772 -0.818 1
1 58 . 13 1 1 A 9 9 TYR HA H 7 4.585 4.649 -0.064 1
1 65 . 13 1 1 A 9 9 TYR C C 7 175.532 175.080 0.452 1
1 66 . 13 1 1 A 9 9 TYR CA C 7 58.335 58.064 0.271 1
1 67 . 13 1 1 A 9 9 TYR CB C 7 39.474 37.784 1.690 1
1 70 . 13 1 1 A 9 9 TYR N N 7 121.884 120.332 1.552 1
1 71 . 13 1 1 A 10 10 ARG H H 8 8.117 8.370 -0.253 1
1 72 . 13 1 1 A 10 10 ARG HA H 8 4.349 5.023 -0.674 1
1 79 . 13 1 1 A 10 10 ARG C C 8 175.898 174.760 1.138 1
1 80 . 13 1 1 A 10 10 ARG CA C 8 56.048 54.562 1.486 1
1 81 . 13 1 1 A 10 10 ARG CB C 8 31.492 33.721 -2.229 1
1 84 . 13 1 1 A 10 10 ARG N N 8 121.977 126.034 -4.057 1
1 85 . 13 1 1 A 11 11 CYS H H 9 8.127 8.809 -0.682 1
1 86 . 13 1 1 A 11 11 CYS HA H 9 5.004 4.965 0.039 1
1 89 . 13 1 1 A 11 11 CYS C C 9 177.771 173.842 3.929 1
1 90 . 13 1 1 A 11 11 CYS CA C 9 53.192 54.964 -1.772 1
1 91 . 13 1 1 A 11 11 CYS CB C 9 40.897 42.887 -1.990 1
1 92 . 13 1 1 A 11 11 CYS N N 9 121.209 124.942 -3.733 1
1 93 . 13 1 1 A 12 12 PRO HA H 10 4.340 4.276 0.064 1
1 100 . 13 1 1 A 12 12 PRO CA C 10 65.478 64.176 1.302 1
1 101 . 13 1 1 A 12 12 PRO CB C 10 32.904 31.485 1.419 1
1 104 . 13 1 1 A 13 13 CYS H H 11 8.662 8.220 0.442 1
1 105 . 13 1 1 A 13 13 CYS C C 11 174.618 173.658 0.960 1
1 106 . 13 1 1 A 13 13 CYS N N 11 114.595 118.689 -4.094 1
1 107 . 13 1 1 A 14 14 ARG H H 12 8.236 8.952 -0.716 1
1 108 . 13 1 1 A 14 14 ARG HA H 12 4.075 4.083 -0.008 1
1 115 . 13 1 1 A 14 14 ARG C C 12 175.098 175.244 -0.146 1
1 116 . 13 1 1 A 14 14 ARG CA C 12 57.370 57.730 -0.360 1
1 117 . 13 1 1 A 14 14 ARG CB C 12 31.631 31.279 0.352 1
1 120 . 13 1 1 A 14 14 ARG N N 12 122.779 127.125 -4.346 1
1 121 . 13 1 1 A 15 15 PHE H H 13 7.603 7.761 -0.158 1
1 122 . 13 1 1 A 15 15 PHE HA H 13 4.515 5.249 -0.734 1
1 129 . 13 1 1 A 15 15 PHE C C 13 174.162 175.083 -0.921 1
1 130 . 13 1 1 A 15 15 PHE CA C 13 56.289 56.601 -0.312 1
1 131 . 13 1 1 A 15 15 PHE CB C 13 41.320 43.334 -2.014 1
1 134 . 13 1 1 A 15 15 PHE N N 13 116.797 114.533 2.264 1
1 135 . 13 1 1 A 16 16 PHE H H 14 8.112 8.698 -0.586 1
1 136 . 13 1 1 A 16 16 PHE HA H 14 4.783 5.135 -0.352 1
1 143 . 13 1 1 A 16 16 PHE C C 14 175.441 175.212 0.229 1
1 144 . 13 1 1 A 16 16 PHE CA C 14 55.767 55.749 0.018 1
1 145 . 13 1 1 A 16 16 PHE CB C 14 41.320 40.451 0.869 1
1 148 . 13 1 1 A 16 16 PHE N N 14 118.930 118.805 0.125 1
1 149 . 13 1 1 A 17 17 GLU H H 15 8.820 10.011 -1.191 1
1 150 . 13 1 1 A 17 17 GLU HA H 15 4.616 4.597 0.019 1
1 155 . 13 1 1 A 17 17 GLU C C 15 176.857 177.121 -0.264 1
1 156 . 13 1 1 A 17 17 GLU CA C 15 56.289 56.002 0.287 1
1 157 . 13 1 1 A 17 17 GLU CB C 15 31.173 30.918 0.255 1
1 159 . 13 1 1 A 17 17 GLU N N 15 122.825 123.542 -0.717 1
1 160 . 13 1 1 A 18 18 SER H H 16 8.746 8.740 0.006 1
1 161 . 13 1 1 A 18 18 SER HA H 16 4.759 4.613 0.146 1
1 164 . 13 1 1 A 18 18 SER C C 16 177.497 174.405 3.092 1
1 165 . 13 1 1 A 18 18 SER CA C 16 59.328 59.246 0.082 1
1 166 . 13 1 1 A 18 18 SER CB C 16 64.515 63.597 0.918 1
1 167 . 13 1 1 A 18 18 SER N N 16 118.860 117.630 1.230 1
1 168 . 13 1 1 A 19 19 HIS H H 17 8.761 7.812 0.949 1
1 169 . 13 1 1 A 19 19 HIS HA H 17 4.859 4.732 0.127 1
1 174 . 13 1 1 A 19 19 HIS C C 17 174.618 174.439 0.179 1
1 175 . 13 1 1 A 19 19 HIS CA C 17 56.449 54.833 1.616 1
1 176 . 13 1 1 A 19 19 HIS CB C 17 29.870 27.398 2.472 1
1 179 . 13 1 1 A 19 19 HIS N N 17 120.535 118.373 2.162 1
1 180 . 13 1 1 A 20 20 VAL H H 18 7.211 8.820 -1.609 1
1 181 . 13 1 1 A 20 20 VAL HA H 18 4.160 4.433 -0.273 1
1 189 . 13 1 1 A 20 20 VAL C C 18 174.436 175.785 -1.349 1
1 190 . 13 1 1 A 20 20 VAL CA C 18 62.167 61.165 1.002 1
1 191 . 13 1 1 A 20 20 VAL CB C 18 34.426 34.015 0.411 1
1 193 . 13 1 1 A 20 20 VAL N N 18 120.872 123.476 -2.604 1
1 194 . 13 1 1 A 21 21 ALA H H 19 8.535 8.754 -0.219 1
1 195 . 13 1 1 A 21 21 ALA HA H 19 4.402 4.212 0.190 1
1 199 . 13 1 1 A 21 21 ALA C C 19 177.657 178.244 -0.587 1
1 200 . 13 1 1 A 21 21 ALA CA C 19 51.193 52.386 -1.193 1
1 201 . 13 1 1 A 21 21 ALA CB C 19 19.790 18.955 0.835 1
1 202 . 13 1 1 A 21 21 ALA N N 19 131.339 129.647 1.692 1
1 203 . 13 1 1 A 22 22 ARG H H 20 7.815 8.233 -0.418 1
1 204 . 13 1 1 A 22 22 ARG HA H 20 2.495 3.227 -0.732 1
1 211 . 13 1 1 A 22 22 ARG C C 20 178.365 176.925 1.440 1
1 212 . 13 1 1 A 22 22 ARG CA C 20 59.379 57.758 1.621 1
1 213 . 13 1 1 A 22 22 ARG CB C 20 29.572 29.318 0.254 1
1 216 . 13 1 1 A 22 22 ARG N N 20 124.365 124.062 0.303 1
1 217 . 13 1 1 A 23 23 ALA H H 21 8.135 7.457 0.678 1
1 218 . 13 1 1 A 23 23 ALA HA H 21 4.070 4.121 -0.051 1
1 222 . 13 1 1 A 23 23 ALA C C 21 178.000 177.776 0.224 1
1 223 . 13 1 1 A 23 23 ALA CA C 21 54.100 53.090 1.010 1
1 224 . 13 1 1 A 23 23 ALA CB C 21 18.713 18.952 -0.239 1
1 225 . 13 1 1 A 23 23 ALA N N 21 117.156 121.135 -3.979 1
1 226 . 13 1 1 A 24 24 ASN H H 22 7.712 7.967 -0.255 1
1 227 . 13 1 1 A 24 24 ASN HA H 22 5.008 4.832 0.176 1
1 232 . 13 1 1 A 24 24 ASN C C 22 174.938 174.724 0.214 1
1 233 . 13 1 1 A 24 24 ASN CA C 22 52.869 52.279 0.590 1
1 234 . 13 1 1 A 24 24 ASN CB C 22 40.573 38.816 1.757 1
1 235 . 13 1 1 A 24 24 ASN N N 22 112.819 115.243 -2.424 1
1 237 . 13 1 1 A 25 25 VAL H H 23 7.508 7.380 0.128 1
1 238 . 13 1 1 A 25 25 VAL HA H 23 4.896 4.452 0.444 1
1 246 . 13 1 1 A 25 25 VAL C C 23 175.829 175.072 0.757 1
1 247 . 13 1 1 A 25 25 VAL CA C 23 59.870 59.774 0.096 1
1 248 . 13 1 1 A 25 25 VAL CB C 23 35.396 34.018 1.378 1
1 251 . 13 1 1 A 25 25 VAL N N 23 119.721 120.157 -0.436 1
1 252 . 13 1 1 A 26 26 LYS H H 24 9.483 8.935 0.548 1
1 253 . 13 1 1 A 26 26 LYS HA H 24 4.350 4.364 -0.014 1
1 262 . 13 1 1 A 26 26 LYS C C 24 176.606 176.331 0.275 1
1 263 . 13 1 1 A 26 26 LYS CA C 24 58.977 56.807 2.170 1
1 264 . 13 1 1 A 26 26 LYS CB C 24 34.567 33.396 1.171 1
1 268 . 13 1 1 A 26 26 LYS N N 24 128.029 125.171 2.858 1
1 269 . 13 1 1 A 27 27 HIS H H 25 7.223 7.718 -0.495 1
1 270 . 13 1 1 A 27 27 HIS HA H 25 4.979 4.881 0.098 1
1 275 . 13 1 1 A 27 27 HIS C C 25 178.434 172.614 5.820 1
1 276 . 13 1 1 A 27 27 HIS CA C 25 55.406 54.752 0.654 1
1 277 . 13 1 1 A 27 27 HIS CB C 25 32.904 30.989 1.915 1
1 280 . 13 1 1 A 27 27 HIS N N 25 109.556 114.614 -5.058 1
1 281 . 13 1 1 A 28 28 LEU H H 26 8.149 8.787 -0.638 1
1 282 . 13 1 1 A 28 28 LEU HA H 26 5.190 5.135 0.055 1
1 292 . 13 1 1 A 28 28 LEU C C 26 175.510 175.208 0.302 1
1 293 . 13 1 1 A 28 28 LEU CA C 26 53.480 53.247 0.233 1
1 294 . 13 1 1 A 28 28 LEU CB C 26 45.235 44.788 0.447 1
1 298 . 13 1 1 A 28 28 LEU N N 26 117.106 120.019 -2.913 1
1 299 . 13 1 1 A 29 29 LYS H H 27 9.578 9.284 0.294 1
1 300 . 13 1 1 A 29 29 LYS HA H 27 5.385 4.932 0.453 1
1 309 . 13 1 1 A 29 29 LYS C C 27 174.801 174.845 -0.044 1
1 310 . 13 1 1 A 29 29 LYS CA C 27 55.165 54.670 0.495 1
1 311 . 13 1 1 A 29 29 LYS CB C 27 35.253 34.605 0.648 1
1 315 . 13 1 1 A 29 29 LYS N N 27 123.488 124.463 -0.975 1
1 316 . 13 1 1 A 30 30 ILE H H 28 9.133 8.940 0.193 1
1 317 . 13 1 1 A 30 30 ILE HA H 28 4.925 4.863 0.062 1
1 327 . 13 1 1 A 30 30 ILE C C 28 176.949 175.267 1.682 1
1 328 . 13 1 1 A 30 30 ILE CA C 28 60.542 59.706 0.836 1
1 329 . 13 1 1 A 30 30 ILE CB C 28 39.600 39.748 -0.148 1
1 333 . 13 1 1 A 30 30 ILE N N 28 123.846 128.094 -4.248 1
1 334 . 13 1 1 A 31 31 LEU H H 29 8.830 8.920 -0.090 1
1 335 . 13 1 1 A 31 31 LEU HA H 29 4.533 4.816 -0.283 1
1 344 . 13 1 1 A 31 31 LEU C C 29 176.012 174.638 1.374 1
1 345 . 13 1 1 A 31 31 LEU CA C 29 55.406 54.384 1.022 1
1 346 . 13 1 1 A 31 31 LEU CB C 29 43.180 45.737 -2.557 1
1 349 . 13 1 1 A 31 31 LEU N N 29 128.649 127.401 1.248 1
1 350 . 13 1 1 A 32 32 ASN H H 30 8.211 8.788 -0.577 1
1 351 . 13 1 1 A 32 32 ASN HA H 30 5.014 5.102 -0.088 1
1 356 . 13 1 1 A 32 32 ASN C C 30 174.664 174.702 -0.038 1
1 357 . 13 1 1 A 32 32 ASN CA C 30 52.517 53.185 -0.668 1
1 358 . 13 1 1 A 32 32 ASN CB C 30 38.776 39.107 -0.331 1
1 359 . 13 1 1 A 32 32 ASN N N 30 120.791 125.244 -4.453 1
1 361 . 13 1 1 A 33 33 THR H H 31 7.896 8.393 -0.497 1
1 362 . 13 1 1 A 33 33 THR HA H 31 4.842 4.413 0.429 1
1 367 . 13 1 1 A 33 33 THR CA C 31 58.369 61.272 -2.903 1
1 368 . 13 1 1 A 33 33 THR CB C 31 70.011 68.908 1.103 1
1 370 . 13 1 1 A 33 33 THR N N 31 115.811 119.916 -4.105 1
1 371 . 13 1 1 A 34 34 PRO HA H 32 4.317 4.503 -0.186 1
1 378 . 13 1 1 A 34 34 PRO CA C 32 65.164 64.493 0.671 1
1 379 . 13 1 1 A 34 34 PRO CB C 32 32.484 31.856 0.628 1
1 382 . 13 1 1 A 35 35 ASN H H 33 8.256 8.334 -0.078 1
1 383 . 13 1 1 A 35 35 ASN HA H 33 4.651 4.863 -0.212 1
1 388 . 13 1 1 A 35 35 ASN C C 33 174.710 174.505 0.205 1
1 389 . 13 1 1 A 35 35 ASN CA C 33 54.532 53.055 1.477 1
1 390 . 13 1 1 A 35 35 ASN CB C 33 39.167 40.248 -1.081 1
1 391 . 13 1 1 A 35 35 ASN N N 33 120.081 114.210 5.871 1
1 393 . 13 1 1 A 36 36 CYS H H 34 7.548 7.416 0.132 1
1 394 . 13 1 1 A 36 36 CYS HA H 34 4.693 4.973 -0.280 1
1 397 . 13 1 1 A 36 36 CYS C C 34 173.865 172.776 1.089 1
1 398 . 13 1 1 A 36 36 CYS CA C 34 55.447 54.821 0.626 1
1 399 . 13 1 1 A 36 36 CYS CB C 34 45.228 47.459 -2.231 1
1 400 . 13 1 1 A 36 36 CYS N N 34 117.076 116.302 0.774 1
1 401 . 13 1 1 A 37 37 ALA H H 35 8.469 8.454 0.015 1
1 402 . 13 1 1 A 37 37 ALA HA H 35 4.252 4.261 -0.009 1
1 406 . 13 1 1 A 37 37 ALA C C 35 176.423 177.086 -0.663 1
1 407 . 13 1 1 A 37 37 ALA CA C 35 53.537 51.888 1.649 1
1 408 . 13 1 1 A 37 37 ALA CB C 35 19.202 19.947 -0.745 1
1 409 . 13 1 1 A 37 37 ALA N N 35 125.153 124.823 0.330 1
1 410 . 13 1 1 A 38 38 CYS H H 36 8.315 8.366 -0.051 1
1 411 . 13 1 1 A 38 38 CYS HA H 36 4.211 4.293 -0.082 1
1 414 . 13 1 1 A 38 38 CYS C C 36 173.705 174.567 -0.862 1
1 415 . 13 1 1 A 38 38 CYS CA C 36 58.616 59.811 -1.195 1
1 416 . 13 1 1 A 38 38 CYS CB C 36 45.705 27.988 17.717 1
1 417 . 13 1 1 A 38 38 CYS N N 36 118.837 118.031 0.806 1
1 418 . 13 1 1 A 39 39 GLN H H 37 8.926 8.865 0.061 1
1 419 . 13 1 1 A 39 39 GLN HA H 37 4.609 5.054 -0.445 1
1 426 . 13 1 1 A 39 39 GLN C C 37 173.636 174.588 -0.952 1
1 427 . 13 1 1 A 39 39 GLN CA C 37 54.603 54.511 0.092 1
1 428 . 13 1 1 A 39 39 GLN CB C 37 31.761 31.780 -0.019 1
1 430 . 13 1 1 A 39 39 GLN N N 37 128.567 125.950 2.617 1
1 432 . 13 1 1 A 40 40 ILE H H 38 8.874 8.317 0.557 1
1 433 . 13 1 1 A 40 40 ILE HA H 38 5.093 5.338 -0.245 1
1 443 . 13 1 1 A 40 40 ILE C C 38 174.390 174.504 -0.114 1
1 444 . 13 1 1 A 40 40 ILE CA C 38 60.582 59.929 0.653 1
1 445 . 13 1 1 A 40 40 ILE CB C 38 40.048 41.610 -1.562 1
1 449 . 13 1 1 A 40 40 ILE N N 38 123.962 121.589 2.373 1
1 450 . 13 1 1 A 41 41 VAL H H 39 9.120 9.602 -0.482 1
1 451 . 13 1 1 A 41 41 VAL HA H 39 4.905 4.787 0.118 1
1 459 . 13 1 1 A 41 41 VAL C C 39 175.487 174.964 0.523 1
1 460 . 13 1 1 A 41 41 VAL CA C 39 59.980 61.238 -1.258 1
1 461 . 13 1 1 A 41 41 VAL CB C 39 35.868 33.306 2.562 1
1 464 . 13 1 1 A 41 41 VAL N N 39 126.354 128.182 -1.828 1
1 465 . 13 1 1 A 42 42 ALA H H 40 9.513 9.481 0.032 1
1 466 . 13 1 1 A 42 42 ALA HA H 40 5.154 5.394 -0.240 1
1 470 . 13 1 1 A 42 42 ALA C C 40 175.944 175.766 0.178 1
1 471 . 13 1 1 A 42 42 ALA CA C 40 50.591 50.484 0.107 1
1 472 . 13 1 1 A 42 42 ALA CB C 40 22.432 23.075 -0.643 1
1 473 . 13 1 1 A 42 42 ALA N N 40 128.406 129.372 -0.966 1
1 474 . 13 1 1 A 43 43 ARG H H 41 7.706 8.777 -1.071 1
1 475 . 13 1 1 A 43 43 ARG HA H 41 4.978 4.826 0.152 1
1 482 . 13 1 1 A 43 43 ARG C C 41 175.510 176.050 -0.540 1
1 483 . 13 1 1 A 43 43 ARG CA C 41 54.162 55.149 -0.987 1
1 484 . 13 1 1 A 43 43 ARG CB C 41 31.200 32.073 -0.873 1
1 487 . 13 1 1 A 43 43 ARG N N 41 121.663 122.493 -0.830 1
1 488 . 13 1 1 A 44 44 LEU H H 42 9.164 8.297 0.867 1
1 489 . 13 1 1 A 44 44 LEU HA H 42 5.023 4.755 0.268 1
1 499 . 13 1 1 A 44 44 LEU C C 42 177.840 176.921 0.919 1
1 500 . 13 1 1 A 44 44 LEU CA C 42 54.724 55.453 -0.729 1
1 501 . 13 1 1 A 44 44 LEU CB C 42 41.712 42.155 -0.443 1
1 505 . 13 1 1 A 44 44 LEU N N 42 129.087 124.426 4.661 1
1 506 . 13 1 1 A 45 45 LYS H H 43 8.414 9.002 -0.588 1
1 507 . 13 1 1 A 45 45 LYS HA H 43 3.954 4.348 -0.394 1
1 516 . 13 1 1 A 45 45 LYS CA C 43 59.016 55.218 3.798 1
1 517 . 13 1 1 A 45 45 LYS CB C 43 34.102 30.622 3.480 1
1 520 . 13 1 1 A 45 45 LYS N N 43 119.674 122.643 -2.969 1
1 521 . 13 1 1 A 48 48 ASN HA H 46 4.723 4.972 -0.249 1
1 526 . 13 1 1 A 48 48 ASN C C 46 175.098 175.517 -0.419 1
1 527 . 13 1 1 A 48 48 ASN CA C 46 54.764 54.026 0.738 1
1 528 . 13 1 1 A 48 48 ASN CB C 46 39.265 40.522 -1.257 1
1 530 . 13 1 1 A 49 49 ARG H H 47 7.914 7.935 -0.021 1
1 531 . 13 1 1 A 49 49 ARG HA H 47 4.352 4.722 -0.370 1
1 538 . 13 1 1 A 49 49 ARG C C 47 175.601 173.631 1.970 1
1 539 . 13 1 1 A 49 49 ARG CA C 47 57.051 54.556 2.495 1
1 540 . 13 1 1 A 49 49 ARG CB C 47 32.121 31.794 0.327 1
1 543 . 13 1 1 A 49 49 ARG N N 47 119.826 113.636 6.190 1
1 544 . 13 1 1 A 50 50 GLN H H 48 8.542 8.677 -0.135 1
1 545 . 13 1 1 A 50 50 GLN HA H 48 5.495 4.934 0.561 1
1 552 . 13 1 1 A 50 50 GLN C C 48 175.578 175.631 -0.053 1
1 553 . 13 1 1 A 50 50 GLN CA C 48 55.125 55.122 0.003 1
1 554 . 13 1 1 A 50 50 GLN CB C 48 32.121 30.392 1.729 1
1 556 . 13 1 1 A 50 50 GLN N N 48 120.767 120.507 0.260 1
1 558 . 13 1 1 A 51 51 VAL H H 49 8.649 9.284 -0.635 1
1 559 . 13 1 1 A 51 51 VAL HA H 49 4.833 4.879 -0.046 1
1 567 . 13 1 1 A 51 51 VAL C C 49 175.258 173.740 1.518 1
1 568 . 13 1 1 A 51 51 VAL CA C 49 59.338 59.599 -0.261 1
1 569 . 13 1 1 A 51 51 VAL CB C 49 36.155 34.648 1.507 1
1 572 . 13 1 1 A 51 51 VAL N N 49 116.678 120.362 -3.684 1
1 573 . 13 1 1 A 52 52 CYS H H 50 9.099 9.098 0.001 1
1 574 . 13 1 1 A 52 52 CYS HA H 50 5.308 5.491 -0.183 1
1 577 . 13 1 1 A 52 52 CYS C C 50 174.527 172.513 2.014 1
1 578 . 13 1 1 A 52 52 CYS CA C 50 58.054 54.228 3.826 1
1 579 . 13 1 1 A 52 52 CYS CB C 50 43.375 45.661 -2.286 1
1 580 . 13 1 1 A 52 52 CYS N N 50 124.549 121.481 3.068 1
1 581 . 13 1 1 A 53 53 ILE H H 51 8.479 9.983 -1.504 1
1 582 . 13 1 1 A 53 53 ILE HA H 51 4.974 4.806 0.168 1
1 592 . 13 1 1 A 53 53 ILE C C 51 173.019 175.188 -2.169 1
1 593 . 13 1 1 A 53 53 ILE CA C 51 58.897 60.172 -1.275 1
1 594 . 13 1 1 A 53 53 ILE CB C 51 42.201 40.666 1.535 1
1 598 . 13 1 1 A 53 53 ILE N N 51 122.581 127.433 -4.852 1
1 599 . 13 1 1 A 54 54 ASP H H 52 7.642 8.306 -0.664 1
1 600 . 13 1 1 A 54 54 ASP HA H 52 3.619 4.580 -0.961 1
1 603 . 13 1 1 A 54 54 ASP CA C 52 51.574 51.882 -0.308 1
1 604 . 13 1 1 A 54 54 ASP CB C 52 42.515 42.004 0.511 1
1 605 . 13 1 1 A 54 54 ASP N N 52 125.772 126.870 -1.098 1
1 606 . 13 1 1 A 55 55 PRO HA H 53 4.023 4.336 -0.313 1
1 613 . 13 1 1 A 55 55 PRO C C 53 176.126 176.542 -0.416 1
1 614 . 13 1 1 A 55 55 PRO CA C 53 63.993 63.850 0.143 1
1 615 . 13 1 1 A 55 55 PRO CB C 53 33.002 32.362 0.640 1
1 618 . 13 1 1 A 56 56 LYS H H 54 7.930 7.630 0.300 1
1 619 . 13 1 1 A 56 56 LYS HA H 54 4.000 4.392 -0.392 1
1 628 . 13 1 1 A 56 56 LYS C C 54 177.931 176.510 1.421 1
1 629 . 13 1 1 A 56 56 LYS CA C 54 56.770 56.246 0.524 1
1 630 . 13 1 1 A 56 56 LYS CB C 54 32.023 33.358 -1.335 1
1 634 . 13 1 1 A 56 56 LYS N N 54 112.924 118.302 -5.378 1
1 635 . 13 1 1 A 57 57 LEU H H 55 7.161 6.895 0.266 1
1 636 . 13 1 1 A 57 57 LEU HA H 55 4.065 4.219 -0.154 1
1 646 . 13 1 1 A 57 57 LEU C C 55 179.416 177.799 1.617 1
1 647 . 13 1 1 A 57 57 LEU CA C 55 56.088 55.151 0.937 1
1 648 . 13 1 1 A 57 57 LEU CB C 55 42.397 41.743 0.654 1
1 652 . 13 1 1 A 57 57 LEU N N 55 120.593 121.266 -0.673 1
1 653 . 13 1 1 A 58 58 LYS H H 56 8.716 8.876 -0.160 1
1 654 . 13 1 1 A 58 58 LYS HA H 56 3.937 4.037 -0.100 1
1 663 . 13 1 1 A 58 58 LYS C C 56 178.937 178.460 0.477 1
1 664 . 13 1 1 A 58 58 LYS CA C 56 60.301 59.322 0.979 1
1 665 . 13 1 1 A 58 58 LYS CB C 56 32.121 32.140 -0.019 1
1 669 . 13 1 1 A 58 58 LYS N N 56 125.479 124.293 1.186 1
1 670 . 13 1 1 A 59 59 TRP H H 57 7.827 8.223 -0.396 1
1 671 . 13 1 1 A 59 59 TRP HA H 57 4.664 4.555 0.109 1
1 680 . 13 1 1 A 59 59 TRP C C 57 178.868 179.484 -0.616 1
1 681 . 13 1 1 A 59 59 TRP CA C 57 58.897 59.905 -1.008 1
1 682 . 13 1 1 A 59 59 TRP CB C 57 28.036 28.256 -0.220 1
1 688 . 13 1 1 A 59 59 TRP N N 57 113.433 119.455 -6.022 1
1 690 . 13 1 1 A 60 60 ILE H H 58 6.458 7.565 -1.107 1
1 691 . 13 1 1 A 60 60 ILE HA H 58 3.325 3.482 -0.157 1
1 701 . 13 1 1 A 60 60 ILE C C 58 177.726 177.793 -0.067 1
1 702 . 13 1 1 A 60 60 ILE CA C 58 64.314 64.519 -0.205 1
1 703 . 13 1 1 A 60 60 ILE CB C 58 35.897 36.279 -0.382 1
1 707 . 13 1 1 A 60 60 ILE N N 58 124.379 122.583 1.796 1
1 708 . 13 1 1 A 61 61 GLN H H 59 7.622 8.466 -0.844 1
1 709 . 13 1 1 A 61 61 GLN HA H 59 3.763 3.902 -0.139 1
1 716 . 13 1 1 A 61 61 GLN C C 59 178.434 179.089 -0.655 1
1 717 . 13 1 1 A 61 61 GLN CA C 59 59.379 59.335 0.044 1
1 718 . 13 1 1 A 61 61 GLN CB C 59 28.602 28.483 0.119 1
1 720 . 13 1 1 A 61 61 GLN N N 59 119.070 119.126 -0.056 1
1 722 . 13 1 1 A 62 62 GLU H H 60 8.064 8.032 0.032 1
1 723 . 13 1 1 A 62 62 GLU HA H 60 4.093 4.096 -0.003 1
1 728 . 13 1 1 A 62 62 GLU C C 60 179.051 178.794 0.257 1
1 729 . 13 1 1 A 62 62 GLU CA C 60 59.659 59.436 0.223 1
1 730 . 13 1 1 A 62 62 GLU CB C 60 30.457 29.614 0.843 1
1 732 . 13 1 1 A 62 62 GLU N N 60 117.166 120.493 -3.327 1
1 733 . 13 1 1 A 63 63 TYR H H 61 7.913 8.357 -0.444 1
1 734 . 13 1 1 A 63 63 TYR HA H 61 4.265 4.262 0.003 1
1 741 . 13 1 1 A 63 63 TYR C C 61 178.617 177.269 1.348 1
1 742 . 13 1 1 A 63 63 TYR CA C 61 61.184 61.624 -0.440 1
1 743 . 13 1 1 A 63 63 TYR CB C 61 39.461 38.850 0.611 1
1 746 . 13 1 1 A 63 63 TYR N N 61 121.271 121.969 -0.698 1
1 747 . 13 1 1 A 64 64 LEU H H 62 8.252 8.925 -0.673 1
1 748 . 13 1 1 A 64 64 LEU HA H 62 3.977 3.916 0.061 1
1 758 . 13 1 1 A 64 64 LEU C C 62 179.553 179.353 0.200 1
1 759 . 13 1 1 A 64 64 LEU CA C 62 58.014 57.931 0.083 1
1 760 . 13 1 1 A 64 64 LEU CB C 62 42.397 41.429 0.968 1
1 764 . 13 1 1 A 64 64 LEU N N 62 116.299 119.770 -3.471 1
1 765 . 13 1 1 A 65 65 GLU H H 63 8.453 8.152 0.301 1
1 766 . 13 1 1 A 65 65 GLU HA H 63 3.853 3.968 -0.115 1
1 771 . 13 1 1 A 65 65 GLU C C 63 179.279 178.633 0.646 1
1 772 . 13 1 1 A 65 65 GLU CA C 63 60.301 59.689 0.612 1
1 773 . 13 1 1 A 65 65 GLU CB C 63 29.870 29.344 0.526 1
1 775 . 13 1 1 A 65 65 GLU N N 63 118.616 118.344 0.272 1
1 776 . 13 1 1 A 66 66 LYS H H 64 7.571 8.470 -0.899 1
1 777 . 13 1 1 A 66 66 LYS HA H 64 4.225 4.220 0.005 1
1 786 . 13 1 1 A 66 66 LYS C C 64 178.457 177.629 0.828 1
1 787 . 13 1 1 A 66 66 LYS CA C 64 58.496 58.019 0.477 1
1 788 . 13 1 1 A 66 66 LYS CB C 64 32.400 31.951 0.449 1
1 792 . 13 1 1 A 66 66 LYS N N 64 117.166 118.895 -1.729 1
1 793 . 13 1 1 A 67 67 CYS H H 65 7.916 7.294 0.622 1
1 794 . 13 1 1 A 67 67 CYS HA H 65 4.561 4.459 0.102 1
1 797 . 13 1 1 A 67 67 CYS C C 65 174.893 174.542 0.351 1
1 798 . 13 1 1 A 67 67 CYS CA C 65 56.329 60.888 -4.559 1
1 799 . 13 1 1 A 67 67 CYS CB C 65 45.235 28.762 16.473 1
1 800 . 13 1 1 A 67 67 CYS N N 65 115.312 117.953 -2.641 1
1 801 . 13 1 1 A 68 68 LEU H H 66 7.556 7.300 0.256 1
1 802 . 13 1 1 A 68 68 LEU HA H 66 4.520 4.375 0.145 1
1 812 . 13 1 1 A 68 68 LEU C C 66 176.812 176.915 -0.103 1
1 813 . 13 1 1 A 68 68 LEU CA C 66 55.366 54.196 1.170 1
1 814 . 13 1 1 A 68 68 LEU CB C 66 43.278 42.262 1.016 1
1 818 . 13 1 1 A 68 68 LEU N N 66 120.930 116.580 4.350 1
1 819 . 13 1 1 A 69 69 ASN H H 67 8.266 9.010 -0.744 1
1 820 . 13 1 1 A 69 69 ASN HA H 67 4.681 4.575 0.106 1
1 825 . 13 1 1 A 69 69 ASN CA C 67 53.761 54.688 -0.927 1
1 826 . 13 1 1 A 69 69 ASN CB C 67 39.069 38.281 0.788 1
1 827 . 13 1 1 A 69 69 ASN N N 67 120.279 118.389 1.890 1
1 852 . 13 2 2 B 4 4 GLU H H 102 8.376 8.037 0.339 1
1 853 . 13 2 2 B 4 4 GLU HA H 102 4.335 4.038 0.297 1
1 858 . 13 2 2 B 4 4 GLU C C 102 177.132 177.011 0.121 1
1 859 . 13 2 2 B 4 4 GLU CA C 102 57.410 59.136 -1.726 1
1 861 . 13 2 2 B 4 4 GLU N N 102 121.884 119.668 2.216 1
1 862 . 13 2 2 B 5 5 GLY H H 103 8.380 7.804 0.576 1
1 863 . 13 2 2 B 5 5 GLY HA2 H 103 4.003 4.060 -0.057 1
1 864 . 13 2 2 B 5 5 GLY HA3 H 103 4.003 4.062 -0.059 1
1 865 . 13 2 2 B 5 5 GLY C C 103 174.207 172.672 1.535 1
1 866 . 13 2 2 B 5 5 GLY CA C 103 45.750 44.935 0.815 1
1 867 . 13 2 2 B 5 5 GLY N N 103 110.055 104.495 5.560 1
1 868 . 13 2 2 B 6 6 ILE H H 104 7.851 8.424 -0.573 1
1 869 . 13 2 2 B 6 6 ILE HA H 104 4.305 4.523 -0.218 1
1 879 . 13 2 2 B 6 6 ILE C C 104 176.401 176.241 0.160 1
1 880 . 13 2 2 B 6 6 ILE CA C 104 61.558 60.203 1.355 1
1 881 . 13 2 2 B 6 6 ILE CB C 104 39.436 37.315 2.121 1
1 885 . 13 2 2 B 6 6 ILE N N 104 119.606 122.948 -3.342 1
1 886 . 13 2 2 B 7 7 SER H H 105 8.369 8.686 -0.317 1
1 887 . 13 2 2 B 7 7 SER HA H 105 4.564 4.546 0.018 1
1 890 . 13 2 2 B 7 7 SER C C 105 174.550 174.720 -0.170 1
1 891 . 13 2 2 B 7 7 SER CA C 105 58.667 58.015 0.652 1
1 892 . 13 2 2 B 7 7 SER CB C 105 64.072 64.023 0.049 1
1 893 . 13 2 2 B 7 7 SER N N 105 119.853 119.107 0.746 1
1 894 . 13 2 2 B 8 8 ILE H H 106 7.953 7.303 0.650 1
1 895 . 13 2 2 B 8 8 ILE HA H 106 4.224 4.127 0.097 1
1 905 . 13 2 2 B 8 8 ILE C C 106 175.921 176.789 -0.868 1
1 906 . 13 2 2 B 8 8 ILE CA C 106 61.935 59.340 2.595 1
1 907 . 13 2 2 B 8 8 ILE CB C 106 39.436 38.974 0.462 1
1 911 . 13 2 2 B 8 8 ILE N N 106 121.730 117.755 3.975 1
1 912 . 13 2 2 B 9 9 TYR H H 107 8.171 8.426 -0.255 1
1 913 . 13 2 2 B 9 9 TYR HA H 107 4.736 4.214 0.522 1
1 920 . 13 2 2 B 9 9 TYR C C 107 176.058 175.851 0.207 1
1 921 . 13 2 2 B 9 9 TYR CA C 107 58.165 60.455 -2.290 1
1 922 . 13 2 2 B 9 9 TYR CB C 107 39.436 37.916 1.520 1
1 925 . 13 2 2 B 9 9 TYR N N 107 123.598 124.311 -0.713 1
1 926 . 13 2 2 B 10 10 THR H H 108 7.986 8.172 -0.186 1
1 927 . 13 2 2 B 10 10 THR HA H 108 4.452 4.026 0.426 1
1 932 . 13 2 2 B 10 10 THR C C 108 174.459 173.174 1.285 1
1 933 . 13 2 2 B 10 10 THR CA C 108 62.061 62.328 -0.267 1
1 934 . 13 2 2 B 10 10 THR CB C 108 70.608 67.206 3.402 1
1 936 . 13 2 2 B 10 10 THR N N 108 115.642 111.557 4.085 1
1 937 . 13 2 2 B 11 11 SER H H 109 8.193 7.920 0.273 1
1 938 . 13 2 2 B 11 11 SER HA H 109 4.526 4.739 -0.213 1
1 941 . 13 2 2 B 11 11 SER C C 109 174.504 173.125 1.379 1
1 942 . 13 2 2 B 11 11 SER CA C 109 58.919 56.178 2.741 1
1 943 . 13 2 2 B 11 11 SER CB C 109 64.198 64.716 -0.518 1
1 944 . 13 2 2 B 11 11 SER N N 109 117.597 118.025 -0.428 1
1 945 . 13 2 2 B 12 12 ASP H H 110 8.351 8.680 -0.329 1
1 946 . 13 2 2 B 12 12 ASP HA H 110 4.650 4.778 -0.128 1
1 949 . 13 2 2 B 12 12 ASP C C 110 176.058 176.059 -0.001 1
1 950 . 13 2 2 B 12 12 ASP CA C 110 55.022 55.561 -0.539 1
1 951 . 13 2 2 B 12 12 ASP CB C 110 41.825 42.323 -0.498 1
1 952 . 13 2 2 B 12 12 ASP N N 110 122.020 122.608 -0.588 1
1 953 . 13 2 2 B 13 13 ASN H H 111 8.230 8.255 -0.025 1
1 954 . 13 2 2 B 13 13 ASN HA H 111 4.745 4.473 0.272 1
1 957 . 13 2 2 B 13 13 ASN C C 111 175.030 173.735 1.295 1
1 958 . 13 2 2 B 13 13 ASN CA C 111 53.765 54.985 -1.220 1
1 959 . 13 2 2 B 13 13 ASN CB C 111 39.562 38.026 1.536 1
1 960 . 13 2 2 B 13 13 ASN N N 111 118.317 117.114 1.203 1
1 961 . 13 2 2 B 14 14 TYR H H 112 8.101 8.380 -0.279 1
1 962 . 13 2 2 B 14 14 TYR HA H 112 4.645 5.340 -0.695 1
1 969 . 13 2 2 B 14 14 TYR C C 112 176.081 174.610 1.471 1
1 970 . 13 2 2 B 14 14 TYR CA C 112 58.793 56.456 2.337 1
1 971 . 13 2 2 B 14 14 TYR CB C 112 39.436 42.978 -3.542 1
1 974 . 13 2 2 B 14 14 TYR N N 112 121.125 115.695 5.430 1
1 975 . 13 2 2 B 15 15 THR H H 113 7.900 8.888 -0.988 1
1 976 . 13 2 2 B 15 15 THR HA H 113 4.332 5.056 -0.724 1
1 981 . 13 2 2 B 15 15 THR C C 113 174.413 173.162 1.251 1
1 982 . 13 2 2 B 15 15 THR CA C 113 62.187 60.949 1.238 1
1 983 . 13 2 2 B 15 15 THR CB C 113 70.341 70.520 -0.179 1
1 985 . 13 2 2 B 15 15 THR N N 113 116.394 113.581 2.813 1
1 986 . 13 2 2 B 16 16 GLU H H 114 8.283 8.619 -0.336 1
1 987 . 13 2 2 B 16 16 GLU HA H 114 4.275 4.656 -0.381 1
1 992 . 13 2 2 B 16 16 GLU C C 114 176.766 176.937 -0.171 1
1 993 . 13 2 2 B 16 16 GLU CA C 114 57.410 55.680 1.730 1
1 994 . 13 2 2 B 16 16 GLU CB C 114 30.638 31.259 -0.621 1
1 996 . 13 2 2 B 16 16 GLU N N 114 123.052 122.131 0.921 1
1 997 . 13 2 2 B 17 17 GLU H H 115 8.370 8.261 0.109 1
1 998 . 13 2 2 B 17 17 GLU HA H 115 4.325 3.927 0.398 1
1 1003 . 13 2 2 B 17 17 GLU C C 115 176.880 174.849 2.031 1
1 1004 . 13 2 2 B 17 17 GLU CA C 115 57.410 57.955 -0.545 1
1 1005 . 13 2 2 B 17 17 GLU CB C 115 30.512 29.220 1.292 1
1 1007 . 13 2 2 B 17 17 GLU N N 115 121.688 119.817 1.871 1
1 1008 . 13 2 2 B 18 18 MET H H 116 8.314 7.533 0.781 1
1 1009 . 13 2 2 B 18 18 MET HA H 116 4.509 5.195 -0.686 1
1 1014 . 13 2 2 B 18 18 MET C C 116 177.086 174.790 2.296 1
1 1015 . 13 2 2 B 18 18 MET CA C 116 56.279 54.715 1.564 1
1 1016 . 13 2 2 B 18 18 MET CB C 116 33.026 36.989 -3.963 1
1 1017 . 13 2 2 B 18 18 MET N N 116 121.270 118.803 2.467 1
1 1018 . 13 2 2 B 19 19 GLY H H 117 8.384 8.660 -0.276 1
1 1019 . 13 2 2 B 19 19 GLY HA2 H 117 4.061 4.265 -0.204 1
1 1020 . 13 2 2 B 19 19 GLY HA3 H 117 4.061 4.270 -0.209 1
1 1021 . 13 2 2 B 19 19 GLY C C 117 174.481 171.997 2.484 1
1 1022 . 13 2 2 B 19 19 GLY CA C 117 45.847 44.776 1.071 1
1 1023 . 13 2 2 B 19 19 GLY N N 117 110.055 110.445 -0.390 1
1 1024 . 13 2 2 B 20 20 SER H H 118 8.250 8.768 -0.518 1
1 1025 . 13 2 2 B 20 20 SER HA H 118 4.495 5.069 -0.574 1
1 1028 . 13 2 2 B 20 20 SER C C 118 175.327 173.319 2.008 1
1 1029 . 13 2 2 B 20 20 SER CA C 118 58.919 57.166 1.753 1
1 1030 . 13 2 2 B 20 20 SER CB C 118 64.575 66.960 -2.385 1
1 1031 . 13 2 2 B 20 20 SER N N 118 115.664 119.747 -4.083 1
1 1032 . 13 2 2 B 21 21 GLY H H 119 8.429 8.544 -0.115 1
1 1033 . 13 2 2 B 21 21 GLY HA2 H 119 4.000 4.172 -0.172 1
1 1034 . 13 2 2 B 21 21 GLY HA3 H 119 4.000 4.173 -0.173 1
1 1035 . 13 2 2 B 21 21 GLY C C 119 174.002 172.183 1.819 1
1 1036 . 13 2 2 B 21 21 GLY CA C 119 45.721 44.297 1.424 1
1 1037 . 13 2 2 B 21 21 GLY N N 119 110.872 109.853 1.019 1
1 1038 . 13 2 2 B 22 22 ASP H H 120 8.127 8.477 -0.350 1
1 1039 . 13 2 2 B 22 22 ASP HA H 120 4.634 5.201 -0.567 1
1 1042 . 13 2 2 B 22 22 ASP C C 120 176.355 176.046 0.309 1
1 1043 . 13 2 2 B 22 22 ASP CA C 120 54.771 52.393 2.378 1
1 1044 . 13 2 2 B 22 22 ASP CB C 120 41.699 44.610 -2.911 1
1 1045 . 13 2 2 B 22 22 ASP N N 120 120.530 116.864 3.666 1
1 1046 . 13 2 2 B 23 23 TYR H H 121 8.097 8.874 -0.777 1
1 1047 . 13 2 2 B 23 23 TYR HA H 121 4.555 4.094 0.461 1
1 1054 . 13 2 2 B 23 23 TYR C C 121 176.058 175.068 0.990 1
1 1055 . 13 2 2 B 23 23 TYR CA C 121 58.667 61.745 -3.078 1
1 1056 . 13 2 2 B 23 23 TYR CB C 121 39.311 39.030 0.281 1
1 1059 . 13 2 2 B 23 23 TYR N N 121 120.584 121.185 -0.601 1
1 1060 . 13 2 2 B 24 24 ASP H H 122 8.224 7.934 0.290 1
1 1061 . 13 2 2 B 24 24 ASP HA H 122 4.621 4.854 -0.233 1
1 1064 . 13 2 2 B 24 24 ASP C C 122 176.835 174.785 2.050 1
1 1065 . 13 2 2 B 24 24 ASP CA C 122 55.022 54.076 0.946 1
1 1066 . 13 2 2 B 24 24 ASP CB C 122 41.825 42.365 -0.540 1
1 1067 . 13 2 2 B 24 24 ASP N N 122 121.815 118.742 3.073 1
1 1068 . 13 2 2 B 25 25 SER H H 123 8.137 8.740 -0.603 1
1 1069 . 13 2 2 B 25 25 SER HA H 123 4.394 4.235 0.159 1
1 1072 . 13 2 2 B 25 25 SER C C 123 175.075 174.092 0.983 1
1 1073 . 13 2 2 B 25 25 SER CA C 123 59.547 59.147 0.400 1
1 1074 . 13 2 2 B 25 25 SER CB C 123 63.540 62.183 1.357 1
1 1075 . 13 2 2 B 25 25 SER N N 123 116.405 121.184 -4.779 1
1 1076 . 13 2 2 B 26 26 MET H H 124 8.221 8.443 -0.222 1
1 1077 . 13 2 2 B 26 26 MET HA H 124 4.500 4.946 -0.446 1
1 1082 . 13 2 2 B 26 26 MET C C 124 176.355 175.202 1.153 1
1 1083 . 13 2 2 B 26 26 MET CA C 124 56.279 53.856 2.423 1
1 1084 . 13 2 2 B 26 26 MET CB C 124 32.900 34.276 -1.376 1
1 1086 . 13 2 2 B 26 26 MET N N 124 121.210 123.740 -2.530 1
1 1087 . 13 2 2 B 27 27 LYS H H 125 7.991 8.405 -0.414 1
1 1088 . 13 2 2 B 27 27 LYS HA H 125 4.352 5.065 -0.713 1
1 1097 . 13 2 2 B 27 27 LYS C C 125 176.355 175.131 1.224 1
1 1098 . 13 2 2 B 27 27 LYS CA C 125 56.656 54.478 2.178 1
1 1099 . 13 2 2 B 27 27 LYS CB C 125 33.529 36.852 -3.323 1
1 1103 . 13 2 2 B 27 27 LYS N N 125 121.457 119.180 2.277 1
1 1104 . 13 2 2 B 28 28 GLU H H 126 8.216 9.030 -0.814 1
1 1105 . 13 2 2 B 28 28 GLU N N 126 122.890 118.203 4.687 1
1 1106 . 13 2 2 B 29 29 PRO HA H 127 4.396 4.773 -0.377 1
1 1113 . 13 2 2 B 29 29 PRO C C 127 176.812 176.047 0.765 1
1 1114 . 13 2 2 B 29 29 PRO CA C 127 63.821 62.463 1.358 1
1 1115 . 13 2 2 B 29 29 PRO CB C 127 32.272 33.044 -0.772 1
1 1118 . 13 2 2 B 30 30 ALA H H 128 8.282 8.435 -0.153 1
1 1119 . 13 2 2 B 30 30 ALA HA H 128 4.316 4.703 -0.387 1
1 1123 . 13 2 2 B 30 30 ALA C C 128 177.589 176.854 0.735 1
1 1124 . 13 2 2 B 30 30 ALA CA C 128 53.192 51.057 2.135 1
1 1125 . 13 2 2 B 30 30 ALA CB C 128 19.703 18.634 1.069 1
1 1126 . 13 2 2 B 30 30 ALA N N 128 123.577 123.281 0.296 1
1 1127 . 13 2 2 B 31 31 PHE H H 129 8.035 7.864 0.171 1
1 1128 . 13 2 2 B 31 31 PHE HA H 129 4.637 4.080 0.557 1
1 1135 . 13 2 2 B 31 31 PHE C C 129 175.624 174.434 1.190 1
1 1136 . 13 2 2 B 31 31 PHE CA C 129 58.039 59.073 -1.034 1
1 1137 . 13 2 2 B 31 31 PHE CB C 129 40.065 35.829 4.236 1
1 1140 . 13 2 2 B 31 31 PHE N N 129 118.994 113.915 5.079 1
1 1141 . 13 2 2 B 32 32 ARG H H 130 8.066 7.499 0.567 1
1 1142 . 13 2 2 B 32 32 ARG HA H 130 4.351 5.018 -0.667 1
1 1149 . 13 2 2 B 32 32 ARG C C 130 175.875 174.761 1.114 1
1 1150 . 13 2 2 B 32 32 ARG CA C 130 56.154 53.884 2.270 1
1 1151 . 13 2 2 B 32 32 ARG CB C 130 31.643 34.386 -2.743 1
1 1154 . 13 2 2 B 32 32 ARG N N 130 123.094 117.612 5.482 1
1 1155 . 13 2 2 B 33 33 GLU H H 131 8.389 8.553 -0.164 1
1 1156 . 13 2 2 B 33 33 GLU HA H 131 4.295 4.903 -0.608 1
1 1161 . 13 2 2 B 33 33 GLU C C 131 176.766 175.680 1.086 1
1 1162 . 13 2 2 B 33 33 GLU CA C 131 57.285 55.700 1.585 1
1 1163 . 13 2 2 B 33 33 GLU CB C 131 30.512 31.849 -1.337 1
1 1165 . 13 2 2 B 33 33 GLU N N 131 122.719 120.788 1.931 1
1 1166 . 13 2 2 B 34 34 GLU H H 132 8.526 8.692 -0.166 1
1 1167 . 13 2 2 B 34 34 GLU HA H 132 4.321 4.711 -0.390 1
1 1172 . 13 2 2 B 34 34 GLU C C 132 176.560 174.283 2.277 1
1 1173 . 13 2 2 B 34 34 GLU CA C 132 57.400 56.400 1.000 1
1 1174 . 13 2 2 B 34 34 GLU CB C 132 30.512 31.775 -1.263 1
1 1176 . 13 2 2 B 34 34 GLU N N 132 122.122 123.923 -1.801 1
1 1177 . 13 2 2 B 35 35 ASN H H 133 8.379 9.135 -0.756 1
1 1178 . 13 2 2 B 35 35 ASN HA H 133 4.712 4.972 -0.260 1
1 1181 . 13 2 2 B 35 35 ASN C C 133 175.258 174.242 1.016 1
1 1182 . 13 2 2 B 35 35 ASN CA C 133 53.765 52.216 1.549 1
1 1183 . 13 2 2 B 35 35 ASN CB C 133 39.562 37.776 1.786 1
1 1184 . 13 2 2 B 35 35 ASN N N 133 119.552 126.338 -6.786 1
1 1185 . 13 2 2 B 36 36 ALA H H 134 8.175 7.963 0.212 1
1 1186 . 13 2 2 B 36 36 ALA HA H 134 4.308 4.728 -0.420 1
1 1190 . 13 2 2 B 36 36 ALA C C 134 177.520 175.673 1.847 1
1 1191 . 13 2 2 B 36 36 ALA CA C 134 53.192 51.878 1.314 1
1 1192 . 13 2 2 B 36 36 ALA CB C 134 19.703 18.979 0.724 1
1 1193 . 13 2 2 B 36 36 ALA N N 134 124.376 126.334 -1.958 1
1 1194 . 13 2 2 B 37 37 ASN H H 135 8.238 9.155 -0.917 1
1 1195 . 13 2 2 B 37 37 ASN HA H 135 4.713 5.011 -0.298 1
1 1198 . 13 2 2 B 37 37 ASN C C 135 175.144 174.293 0.851 1
1 1199 . 13 2 2 B 37 37 ASN CA C 135 53.640 52.447 1.193 1
1 1200 . 13 2 2 B 37 37 ASN CB C 135 39.311 37.984 1.327 1
1 1201 . 13 2 2 B 37 37 ASN N N 135 117.103 123.271 -6.168 1
1 1202 . 13 2 2 B 38 38 PHE H H 136 7.997 7.960 0.037 1
1 1203 . 13 2 2 B 38 38 PHE HA H 136 4.678 4.911 -0.233 1
1 1210 . 13 2 2 B 38 38 PHE C C 136 175.601 173.133 2.468 1
1 1211 . 13 2 2 B 38 38 PHE CA C 136 58.165 58.313 -0.148 1
1 1212 . 13 2 2 B 38 38 PHE CB C 136 39.939 42.408 -2.469 1
1 1215 . 13 2 2 B 38 38 PHE N N 136 120.229 125.204 -4.975 1
1 1216 . 13 2 2 B 39 39 ASN H H 137 8.272 8.246 0.026 1
1 1217 . 13 2 2 B 39 39 ASN HA H 137 4.752 5.382 -0.630 1
1 1220 . 13 2 2 B 39 39 ASN C C 137 174.047 173.430 0.617 1
1 1221 . 13 2 2 B 39 39 ASN CA C 137 53.891 51.728 2.163 1
1 1222 . 13 2 2 B 39 39 ASN CB C 137 39.688 42.537 -2.849 1
1 1223 . 13 2 2 B 39 39 ASN N N 137 120.594 123.461 -2.867 1
1 3 . 14 1 1 A 4 4 PRO HA H 2 4.509 4.663 -0.154 1
1 10 . 14 1 1 A 4 4 PRO C C 2 177.132 175.947 1.185 1
1 11 . 14 1 1 A 4 4 PRO CA C 2 63.529 62.095 1.434 1
1 12 . 14 1 1 A 4 4 PRO CB C 2 32.476 33.160 -0.684 1
1 15 . 14 1 1 A 5 5 VAL H H 3 8.201 8.309 -0.108 1
1 16 . 14 1 1 A 5 5 VAL HA H 3 4.152 4.417 -0.265 1
1 24 . 14 1 1 A 5 5 VAL C C 3 176.423 174.468 1.955 1
1 25 . 14 1 1 A 5 5 VAL CA C 3 62.873 61.728 1.145 1
1 26 . 14 1 1 A 5 5 VAL CB C 3 33.455 32.671 0.784 1
1 28 . 14 1 1 A 5 5 VAL N N 3 120.488 122.520 -2.032 1
1 29 . 14 1 1 A 6 6 SER H H 4 8.276 9.035 -0.759 1
1 30 . 14 1 1 A 6 6 SER HA H 4 4.494 5.089 -0.595 1
1 33 . 14 1 1 A 6 6 SER C C 4 174.687 173.034 1.653 1
1 34 . 14 1 1 A 6 6 SER CA C 4 58.375 56.618 1.757 1
1 35 . 14 1 1 A 6 6 SER CB C 4 64.295 64.745 -0.450 1
1 36 . 14 1 1 A 6 6 SER N N 4 119.000 125.037 -6.037 1
1 37 . 14 1 1 A 7 7 LEU H H 5 8.238 9.055 -0.817 1
1 38 . 14 1 1 A 7 7 LEU HA H 5 4.406 4.895 -0.489 1
1 44 . 14 1 1 A 7 7 LEU C C 5 177.406 174.998 2.408 1
1 45 . 14 1 1 A 7 7 LEU CA C 5 55.766 53.617 2.149 1
1 46 . 14 1 1 A 7 7 LEU CB C 5 43.083 42.223 0.860 1
1 48 . 14 1 1 A 7 7 LEU N N 5 124.704 129.979 -5.275 1
1 49 . 14 1 1 A 8 8 SER H H 6 8.148 8.550 -0.402 1
1 50 . 14 1 1 A 8 8 SER HA H 6 4.438 4.816 -0.378 1
1 53 . 14 1 1 A 8 8 SER C C 6 174.321 172.689 1.632 1
1 54 . 14 1 1 A 8 8 SER CA C 6 58.718 56.831 1.887 1
1 55 . 14 1 1 A 8 8 SER CB C 6 64.295 66.468 -2.173 1
1 56 . 14 1 1 A 8 8 SER N N 6 115.960 117.315 -1.355 1
1 57 . 14 1 1 A 9 9 TYR H H 7 7.954 8.625 -0.671 1
1 58 . 14 1 1 A 9 9 TYR HA H 7 4.585 4.750 -0.165 1
1 65 . 14 1 1 A 9 9 TYR C C 7 175.532 174.540 0.992 1
1 66 . 14 1 1 A 9 9 TYR CA C 7 58.335 56.624 1.711 1
1 67 . 14 1 1 A 9 9 TYR CB C 7 39.474 36.365 3.109 1
1 70 . 14 1 1 A 9 9 TYR N N 7 121.884 121.184 0.700 1
1 71 . 14 1 1 A 10 10 ARG H H 8 8.117 7.938 0.179 1
1 72 . 14 1 1 A 10 10 ARG HA H 8 4.349 4.870 -0.521 1
1 79 . 14 1 1 A 10 10 ARG C C 8 175.898 174.629 1.269 1
1 80 . 14 1 1 A 10 10 ARG CA C 8 56.048 54.014 2.034 1
1 81 . 14 1 1 A 10 10 ARG CB C 8 31.492 33.290 -1.798 1
1 84 . 14 1 1 A 10 10 ARG N N 8 121.977 118.445 3.532 1
1 85 . 14 1 1 A 11 11 CYS H H 9 8.127 8.764 -0.637 1
1 86 . 14 1 1 A 11 11 CYS HA H 9 5.004 4.914 0.090 1
1 89 . 14 1 1 A 11 11 CYS C C 9 177.771 173.948 3.823 1
1 90 . 14 1 1 A 11 11 CYS CA C 9 53.192 54.881 -1.689 1
1 91 . 14 1 1 A 11 11 CYS CB C 9 40.897 43.327 -2.430 1
1 92 . 14 1 1 A 11 11 CYS N N 9 121.209 118.814 2.395 1
1 93 . 14 1 1 A 12 12 PRO HA H 10 4.340 4.250 0.090 1
1 100 . 14 1 1 A 12 12 PRO CA C 10 65.478 64.867 0.611 1
1 101 . 14 1 1 A 12 12 PRO CB C 10 32.904 31.538 1.366 1
1 104 . 14 1 1 A 13 13 CYS H H 11 8.662 8.220 0.442 1
1 105 . 14 1 1 A 13 13 CYS C C 11 174.618 174.631 -0.013 1
1 106 . 14 1 1 A 13 13 CYS N N 11 114.595 117.404 -2.809 1
1 107 . 14 1 1 A 14 14 ARG H H 12 8.236 8.745 -0.509 1
1 108 . 14 1 1 A 14 14 ARG HA H 12 4.075 4.075 0.000 1
1 115 . 14 1 1 A 14 14 ARG C C 12 175.098 175.612 -0.514 1
1 116 . 14 1 1 A 14 14 ARG CA C 12 57.370 58.280 -0.910 1
1 117 . 14 1 1 A 14 14 ARG CB C 12 31.631 30.432 1.199 1
1 120 . 14 1 1 A 14 14 ARG N N 12 122.779 123.544 -0.765 1
1 121 . 14 1 1 A 15 15 PHE H H 13 7.603 7.709 -0.106 1
1 122 . 14 1 1 A 15 15 PHE HA H 13 4.515 5.234 -0.719 1
1 129 . 14 1 1 A 15 15 PHE C C 13 174.162 174.955 -0.793 1
1 130 . 14 1 1 A 15 15 PHE CA C 13 56.289 56.496 -0.207 1
1 131 . 14 1 1 A 15 15 PHE CB C 13 41.320 42.839 -1.519 1
1 134 . 14 1 1 A 15 15 PHE N N 13 116.797 117.841 -1.044 1
1 135 . 14 1 1 A 16 16 PHE H H 14 8.112 8.761 -0.649 1
1 136 . 14 1 1 A 16 16 PHE HA H 14 4.783 6.565 -1.782 1
1 143 . 14 1 1 A 16 16 PHE C C 14 175.441 172.907 2.534 1
1 144 . 14 1 1 A 16 16 PHE CA C 14 55.767 55.278 0.489 1
1 145 . 14 1 1 A 16 16 PHE CB C 14 41.320 42.718 -1.398 1
1 148 . 14 1 1 A 16 16 PHE N N 14 118.930 119.357 -0.427 1
1 149 . 14 1 1 A 17 17 GLU H H 15 8.820 8.990 -0.170 1
1 150 . 14 1 1 A 17 17 GLU HA H 15 4.616 4.850 -0.234 1
1 155 . 14 1 1 A 17 17 GLU C C 15 176.857 176.680 0.177 1
1 156 . 14 1 1 A 17 17 GLU CA C 15 56.289 54.677 1.612 1
1 157 . 14 1 1 A 17 17 GLU CB C 15 31.173 32.973 -1.800 1
1 159 . 14 1 1 A 17 17 GLU N N 15 122.825 122.568 0.257 1
1 160 . 14 1 1 A 18 18 SER H H 16 8.746 8.976 -0.230 1
1 161 . 14 1 1 A 18 18 SER HA H 16 4.759 4.523 0.236 1
1 164 . 14 1 1 A 18 18 SER C C 16 177.497 175.013 2.484 1
1 165 . 14 1 1 A 18 18 SER CA C 16 59.328 59.641 -0.313 1
1 166 . 14 1 1 A 18 18 SER CB C 16 64.515 63.301 1.214 1
1 167 . 14 1 1 A 18 18 SER N N 16 118.860 121.896 -3.036 1
1 168 . 14 1 1 A 19 19 HIS H H 17 8.761 7.996 0.765 1
1 169 . 14 1 1 A 19 19 HIS HA H 17 4.859 4.986 -0.127 1
1 174 . 14 1 1 A 19 19 HIS C C 17 174.618 175.305 -0.687 1
1 175 . 14 1 1 A 19 19 HIS CA C 17 56.449 55.619 0.830 1
1 176 . 14 1 1 A 19 19 HIS CB C 17 29.870 30.669 -0.799 1
1 179 . 14 1 1 A 19 19 HIS N N 17 120.535 118.051 2.484 1
1 180 . 14 1 1 A 20 20 VAL H H 18 7.211 7.478 -0.267 1
1 181 . 14 1 1 A 20 20 VAL HA H 18 4.160 3.995 0.165 1
1 189 . 14 1 1 A 20 20 VAL C C 18 174.436 176.049 -1.613 1
1 190 . 14 1 1 A 20 20 VAL CA C 18 62.167 63.434 -1.267 1
1 191 . 14 1 1 A 20 20 VAL CB C 18 34.426 32.006 2.420 1
1 193 . 14 1 1 A 20 20 VAL N N 18 120.872 120.797 0.075 1
1 194 . 14 1 1 A 21 21 ALA H H 19 8.535 8.612 -0.077 1
1 195 . 14 1 1 A 21 21 ALA HA H 19 4.402 4.248 0.154 1
1 199 . 14 1 1 A 21 21 ALA C C 19 177.657 178.154 -0.497 1
1 200 . 14 1 1 A 21 21 ALA CA C 19 51.193 52.324 -1.131 1
1 201 . 14 1 1 A 21 21 ALA CB C 19 19.790 19.078 0.712 1
1 202 . 14 1 1 A 21 21 ALA N N 19 131.339 129.419 1.920 1
1 203 . 14 1 1 A 22 22 ARG H H 20 7.815 8.315 -0.500 1
1 204 . 14 1 1 A 22 22 ARG HA H 20 2.495 3.148 -0.653 1
1 211 . 14 1 1 A 22 22 ARG C C 20 178.365 177.004 1.361 1
1 212 . 14 1 1 A 22 22 ARG CA C 20 59.379 57.805 1.574 1
1 213 . 14 1 1 A 22 22 ARG CB C 20 29.572 29.207 0.365 1
1 216 . 14 1 1 A 22 22 ARG N N 20 124.365 124.695 -0.330 1
1 217 . 14 1 1 A 23 23 ALA H H 21 8.135 7.438 0.697 1
1 218 . 14 1 1 A 23 23 ALA HA H 21 4.070 4.093 -0.023 1
1 222 . 14 1 1 A 23 23 ALA C C 21 178.000 177.880 0.120 1
1 223 . 14 1 1 A 23 23 ALA CA C 21 54.100 53.131 0.969 1
1 224 . 14 1 1 A 23 23 ALA CB C 21 18.713 18.677 0.036 1
1 225 . 14 1 1 A 23 23 ALA N N 21 117.156 121.259 -4.103 1
1 226 . 14 1 1 A 24 24 ASN H H 22 7.712 7.790 -0.078 1
1 227 . 14 1 1 A 24 24 ASN HA H 22 5.008 4.773 0.235 1
1 232 . 14 1 1 A 24 24 ASN C C 22 174.938 174.826 0.112 1
1 233 . 14 1 1 A 24 24 ASN CA C 22 52.869 52.415 0.454 1
1 234 . 14 1 1 A 24 24 ASN CB C 22 40.573 38.878 1.695 1
1 235 . 14 1 1 A 24 24 ASN N N 22 112.819 115.232 -2.413 1
1 237 . 14 1 1 A 25 25 VAL H H 23 7.508 7.299 0.209 1
1 238 . 14 1 1 A 25 25 VAL HA H 23 4.896 4.301 0.595 1
1 246 . 14 1 1 A 25 25 VAL C C 23 175.829 175.307 0.522 1
1 247 . 14 1 1 A 25 25 VAL CA C 23 59.870 60.691 -0.821 1
1 248 . 14 1 1 A 25 25 VAL CB C 23 35.396 33.261 2.135 1
1 251 . 14 1 1 A 25 25 VAL N N 23 119.721 119.698 0.023 1
1 252 . 14 1 1 A 26 26 LYS H H 24 9.483 9.124 0.359 1
1 253 . 14 1 1 A 26 26 LYS HA H 24 4.350 4.300 0.050 1
1 262 . 14 1 1 A 26 26 LYS C C 24 176.606 176.564 0.042 1
1 263 . 14 1 1 A 26 26 LYS CA C 24 58.977 57.484 1.493 1
1 264 . 14 1 1 A 26 26 LYS CB C 24 34.567 32.730 1.837 1
1 268 . 14 1 1 A 26 26 LYS N N 24 128.029 127.356 0.673 1
1 269 . 14 1 1 A 27 27 HIS H H 25 7.223 7.778 -0.555 1
1 270 . 14 1 1 A 27 27 HIS HA H 25 4.979 4.994 -0.015 1
1 275 . 14 1 1 A 27 27 HIS C C 25 178.434 172.653 5.781 1
1 276 . 14 1 1 A 27 27 HIS CA C 25 55.406 54.670 0.736 1
1 277 . 14 1 1 A 27 27 HIS CB C 25 32.904 31.407 1.497 1
1 280 . 14 1 1 A 27 27 HIS N N 25 109.556 113.289 -3.733 1
1 281 . 14 1 1 A 28 28 LEU H H 26 8.149 8.873 -0.724 1
1 282 . 14 1 1 A 28 28 LEU HA H 26 5.190 5.376 -0.186 1
1 292 . 14 1 1 A 28 28 LEU C C 26 175.510 175.241 0.269 1
1 293 . 14 1 1 A 28 28 LEU CA C 26 53.480 53.438 0.042 1
1 294 . 14 1 1 A 28 28 LEU CB C 26 45.235 45.444 -0.209 1
1 298 . 14 1 1 A 28 28 LEU N N 26 117.106 119.840 -2.734 1
1 299 . 14 1 1 A 29 29 LYS H H 27 9.578 9.199 0.379 1
1 300 . 14 1 1 A 29 29 LYS HA H 27 5.385 5.065 0.320 1
1 309 . 14 1 1 A 29 29 LYS C C 27 174.801 174.706 0.095 1
1 310 . 14 1 1 A 29 29 LYS CA C 27 55.165 54.700 0.465 1
1 311 . 14 1 1 A 29 29 LYS CB C 27 35.253 35.169 0.084 1
1 315 . 14 1 1 A 29 29 LYS N N 27 123.488 123.499 -0.011 1
1 316 . 14 1 1 A 30 30 ILE H H 28 9.133 9.077 0.056 1
1 317 . 14 1 1 A 30 30 ILE HA H 28 4.925 5.251 -0.326 1
1 327 . 14 1 1 A 30 30 ILE C C 28 176.949 174.882 2.067 1
1 328 . 14 1 1 A 30 30 ILE CA C 28 60.542 59.630 0.912 1
1 329 . 14 1 1 A 30 30 ILE CB C 28 39.600 39.895 -0.295 1
1 333 . 14 1 1 A 30 30 ILE N N 28 123.846 127.772 -3.926 1
1 334 . 14 1 1 A 31 31 LEU H H 29 8.830 8.808 0.022 1
1 335 . 14 1 1 A 31 31 LEU HA H 29 4.533 4.961 -0.428 1
1 344 . 14 1 1 A 31 31 LEU C C 29 176.012 173.769 2.243 1
1 345 . 14 1 1 A 31 31 LEU CA C 29 55.406 54.023 1.383 1
1 346 . 14 1 1 A 31 31 LEU CB C 29 43.180 46.050 -2.870 1
1 349 . 14 1 1 A 31 31 LEU N N 29 128.649 128.205 0.444 1
1 350 . 14 1 1 A 32 32 ASN H H 30 8.211 8.993 -0.782 1
1 351 . 14 1 1 A 32 32 ASN HA H 30 5.014 5.323 -0.309 1
1 356 . 14 1 1 A 32 32 ASN C C 30 174.664 174.558 0.106 1
1 357 . 14 1 1 A 32 32 ASN CA C 30 52.517 51.811 0.706 1
1 358 . 14 1 1 A 32 32 ASN CB C 30 38.776 39.997 -1.221 1
1 359 . 14 1 1 A 32 32 ASN N N 30 120.791 126.641 -5.850 1
1 361 . 14 1 1 A 33 33 THR H H 31 7.896 8.835 -0.939 1
1 362 . 14 1 1 A 33 33 THR HA H 31 4.842 4.946 -0.104 1
1 367 . 14 1 1 A 33 33 THR CA C 31 58.369 59.077 -0.708 1
1 368 . 14 1 1 A 33 33 THR CB C 31 70.011 69.674 0.337 1
1 370 . 14 1 1 A 33 33 THR N N 31 115.811 117.038 -1.227 1
1 371 . 14 1 1 A 34 34 PRO HA H 32 4.317 4.591 -0.274 1
1 378 . 14 1 1 A 34 34 PRO CA C 32 65.164 63.849 1.315 1
1 379 . 14 1 1 A 34 34 PRO CB C 32 32.484 32.022 0.462 1
1 382 . 14 1 1 A 35 35 ASN H H 33 8.256 8.611 -0.355 1
1 383 . 14 1 1 A 35 35 ASN HA H 33 4.651 4.556 0.095 1
1 388 . 14 1 1 A 35 35 ASN C C 33 174.710 175.468 -0.758 1
1 389 . 14 1 1 A 35 35 ASN CA C 33 54.532 54.402 0.130 1
1 390 . 14 1 1 A 35 35 ASN CB C 33 39.167 39.236 -0.069 1
1 391 . 14 1 1 A 35 35 ASN N N 33 120.081 115.684 4.397 1
1 393 . 14 1 1 A 36 36 CYS H H 34 7.548 7.661 -0.113 1
1 394 . 14 1 1 A 36 36 CYS HA H 34 4.693 4.884 -0.191 1
1 397 . 14 1 1 A 36 36 CYS C C 34 173.865 174.146 -0.281 1
1 398 . 14 1 1 A 36 36 CYS CA C 34 55.447 55.251 0.196 1
1 399 . 14 1 1 A 36 36 CYS CB C 34 45.228 45.356 -0.128 1
1 400 . 14 1 1 A 36 36 CYS N N 34 117.076 115.137 1.939 1
1 401 . 14 1 1 A 37 37 ALA H H 35 8.469 8.382 0.087 1
1 402 . 14 1 1 A 37 37 ALA HA H 35 4.252 4.027 0.225 1
1 406 . 14 1 1 A 37 37 ALA C C 35 176.423 176.906 -0.483 1
1 407 . 14 1 1 A 37 37 ALA CA C 35 53.537 55.360 -1.823 1
1 408 . 14 1 1 A 37 37 ALA CB C 35 19.202 19.005 0.197 1
1 409 . 14 1 1 A 37 37 ALA N N 35 125.153 126.478 -1.325 1
1 410 . 14 1 1 A 38 38 CYS H H 36 8.315 7.916 0.399 1
1 411 . 14 1 1 A 38 38 CYS HA H 36 4.211 4.713 -0.502 1
1 414 . 14 1 1 A 38 38 CYS C C 36 173.705 172.907 0.798 1
1 415 . 14 1 1 A 38 38 CYS CA C 36 58.616 57.744 0.872 1
1 416 . 14 1 1 A 38 38 CYS CB C 36 45.705 30.902 14.803 1
1 417 . 14 1 1 A 38 38 CYS N N 36 118.837 113.637 5.200 1
1 418 . 14 1 1 A 39 39 GLN H H 37 8.926 8.659 0.267 1
1 419 . 14 1 1 A 39 39 GLN HA H 37 4.609 5.145 -0.536 1
1 426 . 14 1 1 A 39 39 GLN C C 37 173.636 174.871 -1.235 1
1 427 . 14 1 1 A 39 39 GLN CA C 37 54.603 54.299 0.304 1
1 428 . 14 1 1 A 39 39 GLN CB C 37 31.761 31.400 0.361 1
1 430 . 14 1 1 A 39 39 GLN N N 37 128.567 125.164 3.403 1
1 432 . 14 1 1 A 40 40 ILE H H 38 8.874 9.039 -0.165 1
1 433 . 14 1 1 A 40 40 ILE HA H 38 5.093 5.083 0.010 1
1 443 . 14 1 1 A 40 40 ILE C C 38 174.390 174.582 -0.192 1
1 444 . 14 1 1 A 40 40 ILE CA C 38 60.582 60.206 0.376 1
1 445 . 14 1 1 A 40 40 ILE CB C 38 40.048 40.512 -0.464 1
1 449 . 14 1 1 A 40 40 ILE N N 38 123.962 124.750 -0.788 1
1 450 . 14 1 1 A 41 41 VAL H H 39 9.120 9.459 -0.339 1
1 451 . 14 1 1 A 41 41 VAL HA H 39 4.905 4.795 0.110 1
1 459 . 14 1 1 A 41 41 VAL C C 39 175.487 174.609 0.878 1
1 460 . 14 1 1 A 41 41 VAL CA C 39 59.980 61.400 -1.420 1
1 461 . 14 1 1 A 41 41 VAL CB C 39 35.868 33.357 2.511 1
1 464 . 14 1 1 A 41 41 VAL N N 39 126.354 129.386 -3.032 1
1 465 . 14 1 1 A 42 42 ALA H H 40 9.513 9.720 -0.207 1
1 466 . 14 1 1 A 42 42 ALA HA H 40 5.154 5.739 -0.585 1
1 470 . 14 1 1 A 42 42 ALA C C 40 175.944 175.266 0.678 1
1 471 . 14 1 1 A 42 42 ALA CA C 40 50.591 50.035 0.556 1
1 472 . 14 1 1 A 42 42 ALA CB C 40 22.432 21.712 0.720 1
1 473 . 14 1 1 A 42 42 ALA N N 40 128.406 129.746 -1.340 1
1 474 . 14 1 1 A 43 43 ARG H H 41 7.706 8.601 -0.895 1
1 475 . 14 1 1 A 43 43 ARG HA H 41 4.978 4.927 0.051 1
1 482 . 14 1 1 A 43 43 ARG C C 41 175.510 175.747 -0.237 1
1 483 . 14 1 1 A 43 43 ARG CA C 41 54.162 55.132 -0.970 1
1 484 . 14 1 1 A 43 43 ARG CB C 41 31.200 32.131 -0.931 1
1 487 . 14 1 1 A 43 43 ARG N N 41 121.663 123.933 -2.270 1
1 488 . 14 1 1 A 44 44 LEU H H 42 9.164 8.345 0.819 1
1 489 . 14 1 1 A 44 44 LEU HA H 42 5.023 4.509 0.514 1
1 499 . 14 1 1 A 44 44 LEU C C 42 177.840 177.163 0.677 1
1 500 . 14 1 1 A 44 44 LEU CA C 42 54.724 54.446 0.278 1
1 501 . 14 1 1 A 44 44 LEU CB C 42 41.712 42.225 -0.513 1
1 505 . 14 1 1 A 44 44 LEU N N 42 129.087 126.602 2.485 1
1 506 . 14 1 1 A 45 45 LYS H H 43 8.414 8.812 -0.398 1
1 507 . 14 1 1 A 45 45 LYS HA H 43 3.954 3.780 0.174 1
1 516 . 14 1 1 A 45 45 LYS CA C 43 59.016 57.993 1.023 1
1 517 . 14 1 1 A 45 45 LYS CB C 43 34.102 32.407 1.695 1
1 520 . 14 1 1 A 45 45 LYS N N 43 119.674 121.734 -2.060 1
1 521 . 14 1 1 A 48 48 ASN HA H 46 4.723 4.892 -0.169 1
1 526 . 14 1 1 A 48 48 ASN C C 46 175.098 173.819 1.279 1
1 527 . 14 1 1 A 48 48 ASN CA C 46 54.764 54.663 0.101 1
1 528 . 14 1 1 A 48 48 ASN CB C 46 39.265 40.340 -1.075 1
1 530 . 14 1 1 A 49 49 ARG H H 47 7.914 7.673 0.241 1
1 531 . 14 1 1 A 49 49 ARG HA H 47 4.352 4.898 -0.546 1
1 538 . 14 1 1 A 49 49 ARG C C 47 175.601 174.163 1.438 1
1 539 . 14 1 1 A 49 49 ARG CA C 47 57.051 54.174 2.877 1
1 540 . 14 1 1 A 49 49 ARG CB C 47 32.121 34.699 -2.578 1
1 543 . 14 1 1 A 49 49 ARG N N 47 119.826 116.504 3.322 1
1 544 . 14 1 1 A 50 50 GLN H H 48 8.542 8.786 -0.244 1
1 545 . 14 1 1 A 50 50 GLN HA H 48 5.495 5.168 0.327 1
1 552 . 14 1 1 A 50 50 GLN C C 48 175.578 174.550 1.028 1
1 553 . 14 1 1 A 50 50 GLN CA C 48 55.125 54.019 1.106 1
1 554 . 14 1 1 A 50 50 GLN CB C 48 32.121 32.007 0.114 1
1 556 . 14 1 1 A 50 50 GLN N N 48 120.767 117.538 3.229 1
1 558 . 14 1 1 A 51 51 VAL H H 49 8.649 8.936 -0.287 1
1 559 . 14 1 1 A 51 51 VAL HA H 49 4.833 4.909 -0.076 1
1 567 . 14 1 1 A 51 51 VAL C C 49 175.258 173.567 1.691 1
1 568 . 14 1 1 A 51 51 VAL CA C 49 59.338 58.969 0.369 1
1 569 . 14 1 1 A 51 51 VAL CB C 49 36.155 35.815 0.340 1
1 572 . 14 1 1 A 51 51 VAL N N 49 116.678 117.947 -1.269 1
1 573 . 14 1 1 A 52 52 CYS H H 50 9.099 8.957 0.142 1
1 574 . 14 1 1 A 52 52 CYS HA H 50 5.308 5.645 -0.337 1
1 577 . 14 1 1 A 52 52 CYS C C 50 174.527 172.817 1.710 1
1 578 . 14 1 1 A 52 52 CYS CA C 50 58.054 54.660 3.394 1
1 579 . 14 1 1 A 52 52 CYS CB C 50 43.375 45.527 -2.152 1
1 580 . 14 1 1 A 52 52 CYS N N 50 124.549 120.790 3.759 1
1 581 . 14 1 1 A 53 53 ILE H H 51 8.479 9.247 -0.768 1
1 582 . 14 1 1 A 53 53 ILE HA H 51 4.974 4.827 0.147 1
1 592 . 14 1 1 A 53 53 ILE C C 51 173.019 175.067 -2.048 1
1 593 . 14 1 1 A 53 53 ILE CA C 51 58.897 59.848 -0.951 1
1 594 . 14 1 1 A 53 53 ILE CB C 51 42.201 41.380 0.821 1
1 598 . 14 1 1 A 53 53 ILE N N 51 122.581 124.316 -1.735 1
1 599 . 14 1 1 A 54 54 ASP H H 52 7.642 8.415 -0.773 1
1 600 . 14 1 1 A 54 54 ASP HA H 52 3.619 4.420 -0.801 1
1 603 . 14 1 1 A 54 54 ASP CA C 52 51.574 51.840 -0.266 1
1 604 . 14 1 1 A 54 54 ASP CB C 52 42.515 41.911 0.604 1
1 605 . 14 1 1 A 54 54 ASP N N 52 125.772 126.587 -0.815 1
1 606 . 14 1 1 A 55 55 PRO HA H 53 4.023 4.407 -0.384 1
1 613 . 14 1 1 A 55 55 PRO C C 53 176.126 176.584 -0.458 1
1 614 . 14 1 1 A 55 55 PRO CA C 53 63.993 63.960 0.033 1
1 615 . 14 1 1 A 55 55 PRO CB C 53 33.002 31.566 1.436 1
1 618 . 14 1 1 A 56 56 LYS H H 54 7.930 7.789 0.141 1
1 619 . 14 1 1 A 56 56 LYS HA H 54 4.000 4.373 -0.373 1
1 628 . 14 1 1 A 56 56 LYS C C 54 177.931 176.190 1.741 1
1 629 . 14 1 1 A 56 56 LYS CA C 54 56.770 56.207 0.563 1
1 630 . 14 1 1 A 56 56 LYS CB C 54 32.023 33.241 -1.218 1
1 634 . 14 1 1 A 56 56 LYS N N 54 112.924 115.865 -2.941 1
1 635 . 14 1 1 A 57 57 LEU H H 55 7.161 7.379 -0.218 1
1 636 . 14 1 1 A 57 57 LEU HA H 55 4.065 3.967 0.098 1
1 646 . 14 1 1 A 57 57 LEU C C 55 179.416 177.698 1.718 1
1 647 . 14 1 1 A 57 57 LEU CA C 55 56.088 55.640 0.448 1
1 648 . 14 1 1 A 57 57 LEU CB C 55 42.397 43.153 -0.756 1
1 652 . 14 1 1 A 57 57 LEU N N 55 120.593 122.951 -2.358 1
1 653 . 14 1 1 A 58 58 LYS H H 56 8.716 9.005 -0.289 1
1 654 . 14 1 1 A 58 58 LYS HA H 56 3.937 3.877 0.060 1
1 663 . 14 1 1 A 58 58 LYS C C 56 178.937 178.135 0.802 1
1 664 . 14 1 1 A 58 58 LYS CA C 56 60.301 59.778 0.523 1
1 665 . 14 1 1 A 58 58 LYS CB C 56 32.121 32.339 -0.218 1
1 669 . 14 1 1 A 58 58 LYS N N 56 125.479 126.540 -1.061 1
1 670 . 14 1 1 A 59 59 TRP H H 57 7.827 8.352 -0.525 1
1 671 . 14 1 1 A 59 59 TRP HA H 57 4.664 4.511 0.153 1
1 680 . 14 1 1 A 59 59 TRP C C 57 178.868 179.305 -0.437 1
1 681 . 14 1 1 A 59 59 TRP CA C 57 58.897 59.940 -1.043 1
1 682 . 14 1 1 A 59 59 TRP CB C 57 28.036 28.077 -0.041 1
1 688 . 14 1 1 A 59 59 TRP N N 57 113.433 118.945 -5.512 1
1 690 . 14 1 1 A 60 60 ILE H H 58 6.458 7.324 -0.866 1
1 691 . 14 1 1 A 60 60 ILE HA H 58 3.325 3.614 -0.289 1
1 701 . 14 1 1 A 60 60 ILE C C 58 177.726 177.823 -0.097 1
1 702 . 14 1 1 A 60 60 ILE CA C 58 64.314 64.764 -0.450 1
1 703 . 14 1 1 A 60 60 ILE CB C 58 35.897 36.668 -0.771 1
1 707 . 14 1 1 A 60 60 ILE N N 58 124.379 122.570 1.809 1
1 708 . 14 1 1 A 61 61 GLN H H 59 7.622 8.599 -0.977 1
1 709 . 14 1 1 A 61 61 GLN HA H 59 3.763 3.916 -0.153 1
1 716 . 14 1 1 A 61 61 GLN C C 59 178.434 178.961 -0.527 1
1 717 . 14 1 1 A 61 61 GLN CA C 59 59.379 59.440 -0.061 1
1 718 . 14 1 1 A 61 61 GLN CB C 59 28.602 28.369 0.233 1
1 720 . 14 1 1 A 61 61 GLN N N 59 119.070 118.986 0.084 1
1 722 . 14 1 1 A 62 62 GLU H H 60 8.064 7.974 0.090 1
1 723 . 14 1 1 A 62 62 GLU HA H 60 4.093 4.099 -0.006 1
1 728 . 14 1 1 A 62 62 GLU C C 60 179.051 178.693 0.358 1
1 729 . 14 1 1 A 62 62 GLU CA C 60 59.659 59.390 0.269 1
1 730 . 14 1 1 A 62 62 GLU CB C 60 30.457 29.627 0.830 1
1 732 . 14 1 1 A 62 62 GLU N N 60 117.166 120.570 -3.404 1
1 733 . 14 1 1 A 63 63 TYR H H 61 7.913 8.102 -0.189 1
1 734 . 14 1 1 A 63 63 TYR HA H 61 4.265 4.235 0.030 1
1 741 . 14 1 1 A 63 63 TYR C C 61 178.617 177.442 1.175 1
1 742 . 14 1 1 A 63 63 TYR CA C 61 61.184 61.546 -0.362 1
1 743 . 14 1 1 A 63 63 TYR CB C 61 39.461 38.821 0.640 1
1 746 . 14 1 1 A 63 63 TYR N N 61 121.271 122.192 -0.921 1
1 747 . 14 1 1 A 64 64 LEU H H 62 8.252 9.110 -0.858 1
1 748 . 14 1 1 A 64 64 LEU HA H 62 3.977 3.908 0.069 1
1 758 . 14 1 1 A 64 64 LEU C C 62 179.553 179.460 0.093 1
1 759 . 14 1 1 A 64 64 LEU CA C 62 58.014 58.235 -0.221 1
1 760 . 14 1 1 A 64 64 LEU CB C 62 42.397 41.685 0.712 1
1 764 . 14 1 1 A 64 64 LEU N N 62 116.299 120.394 -4.095 1
1 765 . 14 1 1 A 65 65 GLU H H 63 8.453 8.226 0.227 1
1 766 . 14 1 1 A 65 65 GLU HA H 63 3.853 4.026 -0.173 1
1 771 . 14 1 1 A 65 65 GLU C C 63 179.279 179.707 -0.428 1
1 772 . 14 1 1 A 65 65 GLU CA C 63 60.301 59.526 0.775 1
1 773 . 14 1 1 A 65 65 GLU CB C 63 29.870 29.134 0.736 1
1 775 . 14 1 1 A 65 65 GLU N N 63 118.616 117.521 1.095 1
1 776 . 14 1 1 A 66 66 LYS H H 64 7.571 8.348 -0.777 1
1 777 . 14 1 1 A 66 66 LYS HA H 64 4.225 4.002 0.223 1
1 786 . 14 1 1 A 66 66 LYS C C 64 178.457 179.498 -1.041 1
1 787 . 14 1 1 A 66 66 LYS CA C 64 58.496 59.215 -0.719 1
1 788 . 14 1 1 A 66 66 LYS CB C 64 32.400 32.349 0.051 1
1 792 . 14 1 1 A 66 66 LYS N N 64 117.166 120.018 -2.852 1
1 793 . 14 1 1 A 67 67 CYS H H 65 7.916 7.908 0.008 1
1 794 . 14 1 1 A 67 67 CYS HA H 65 4.561 4.187 0.374 1
1 797 . 14 1 1 A 67 67 CYS C C 65 174.893 176.710 -1.817 1
1 798 . 14 1 1 A 67 67 CYS CA C 65 56.329 61.587 -5.258 1
1 799 . 14 1 1 A 67 67 CYS CB C 65 45.235 27.654 17.581 1
1 800 . 14 1 1 A 67 67 CYS N N 65 115.312 118.574 -3.262 1
1 801 . 14 1 1 A 68 68 LEU H H 66 7.556 7.711 -0.155 1
1 802 . 14 1 1 A 68 68 LEU HA H 66 4.520 3.963 0.557 1
1 812 . 14 1 1 A 68 68 LEU C C 66 176.812 179.234 -2.422 1
1 813 . 14 1 1 A 68 68 LEU CA C 66 55.366 57.974 -2.608 1
1 814 . 14 1 1 A 68 68 LEU CB C 66 43.278 41.815 1.463 1
1 818 . 14 1 1 A 68 68 LEU N N 66 120.930 121.553 -0.623 1
1 819 . 14 1 1 A 69 69 ASN H H 67 8.266 8.080 0.186 1
1 820 . 14 1 1 A 69 69 ASN HA H 67 4.681 4.578 0.103 1
1 825 . 14 1 1 A 69 69 ASN CA C 67 53.761 55.815 -2.054 1
1 826 . 14 1 1 A 69 69 ASN CB C 67 39.069 38.699 0.370 1
1 827 . 14 1 1 A 69 69 ASN N N 67 120.279 116.556 3.723 1
1 852 . 14 2 2 B 4 4 GLU H H 102 8.376 7.878 0.498 1
1 853 . 14 2 2 B 4 4 GLU HA H 102 4.335 4.596 -0.261 1
1 858 . 14 2 2 B 4 4 GLU C C 102 177.132 177.566 -0.434 1
1 859 . 14 2 2 B 4 4 GLU CA C 102 57.410 54.313 3.097 1
1 861 . 14 2 2 B 4 4 GLU N N 102 121.884 118.191 3.693 1
1 862 . 14 2 2 B 5 5 GLY H H 103 8.380 8.533 -0.153 1
1 863 . 14 2 2 B 5 5 GLY HA2 H 103 4.003 3.814 0.189 1
1 864 . 14 2 2 B 5 5 GLY HA3 H 103 4.003 3.820 0.183 1
1 865 . 14 2 2 B 5 5 GLY C C 103 174.207 172.993 1.214 1
1 866 . 14 2 2 B 5 5 GLY CA C 103 45.750 46.989 -1.239 1
1 867 . 14 2 2 B 5 5 GLY N N 103 110.055 109.375 0.680 1
1 868 . 14 2 2 B 6 6 ILE H H 104 7.851 8.280 -0.429 1
1 869 . 14 2 2 B 6 6 ILE HA H 104 4.305 4.628 -0.323 1
1 879 . 14 2 2 B 6 6 ILE C C 104 176.401 175.164 1.237 1
1 880 . 14 2 2 B 6 6 ILE CA C 104 61.558 59.156 2.402 1
1 881 . 14 2 2 B 6 6 ILE CB C 104 39.436 39.954 -0.518 1
1 885 . 14 2 2 B 6 6 ILE N N 104 119.606 122.702 -3.096 1
1 886 . 14 2 2 B 7 7 SER H H 105 8.369 8.493 -0.124 1
1 887 . 14 2 2 B 7 7 SER HA H 105 4.564 4.147 0.417 1
1 890 . 14 2 2 B 7 7 SER C C 105 174.550 173.527 1.023 1
1 891 . 14 2 2 B 7 7 SER CA C 105 58.667 58.808 -0.141 1
1 892 . 14 2 2 B 7 7 SER CB C 105 64.072 61.462 2.610 1
1 893 . 14 2 2 B 7 7 SER N N 105 119.853 120.570 -0.717 1
1 894 . 14 2 2 B 8 8 ILE H H 106 7.953 7.982 -0.029 1
1 895 . 14 2 2 B 8 8 ILE HA H 106 4.224 4.365 -0.141 1
1 905 . 14 2 2 B 8 8 ILE C C 106 175.921 175.006 0.915 1
1 906 . 14 2 2 B 8 8 ILE CA C 106 61.935 60.716 1.219 1
1 907 . 14 2 2 B 8 8 ILE CB C 106 39.436 38.626 0.810 1
1 911 . 14 2 2 B 8 8 ILE N N 106 121.730 121.545 0.185 1
1 912 . 14 2 2 B 9 9 TYR H H 107 8.171 8.900 -0.729 1
1 913 . 14 2 2 B 9 9 TYR HA H 107 4.736 4.970 -0.234 1
1 920 . 14 2 2 B 9 9 TYR C C 107 176.058 175.529 0.529 1
1 921 . 14 2 2 B 9 9 TYR CA C 107 58.165 56.544 1.621 1
1 922 . 14 2 2 B 9 9 TYR CB C 107 39.436 39.933 -0.497 1
1 925 . 14 2 2 B 9 9 TYR N N 107 123.598 127.166 -3.568 1
1 926 . 14 2 2 B 10 10 THR H H 108 7.986 8.436 -0.450 1
1 927 . 14 2 2 B 10 10 THR HA H 108 4.452 4.189 0.263 1
1 932 . 14 2 2 B 10 10 THR C C 108 174.459 173.781 0.678 1
1 933 . 14 2 2 B 10 10 THR CA C 108 62.061 62.343 -0.282 1
1 934 . 14 2 2 B 10 10 THR CB C 108 70.608 67.801 2.807 1
1 936 . 14 2 2 B 10 10 THR N N 108 115.642 116.031 -0.389 1
1 937 . 14 2 2 B 11 11 SER H H 109 8.193 8.314 -0.121 1
1 938 . 14 2 2 B 11 11 SER HA H 109 4.526 4.991 -0.465 1
1 941 . 14 2 2 B 11 11 SER C C 109 174.504 173.941 0.563 1
1 942 . 14 2 2 B 11 11 SER CA C 109 58.919 57.384 1.535 1
1 943 . 14 2 2 B 11 11 SER CB C 109 64.198 63.999 0.199 1
1 944 . 14 2 2 B 11 11 SER N N 109 117.597 118.066 -0.469 1
1 945 . 14 2 2 B 12 12 ASP H H 110 8.351 9.127 -0.776 1
1 946 . 14 2 2 B 12 12 ASP HA H 110 4.650 4.334 0.316 1
1 949 . 14 2 2 B 12 12 ASP C C 110 176.058 175.322 0.736 1
1 950 . 14 2 2 B 12 12 ASP CA C 110 55.022 55.305 -0.283 1
1 951 . 14 2 2 B 12 12 ASP CB C 110 41.825 39.021 2.804 1
1 952 . 14 2 2 B 12 12 ASP N N 110 122.020 120.743 1.277 1
1 953 . 14 2 2 B 13 13 ASN H H 111 8.230 8.489 -0.259 1
1 954 . 14 2 2 B 13 13 ASN HA H 111 4.745 5.019 -0.274 1
1 957 . 14 2 2 B 13 13 ASN C C 111 175.030 176.078 -1.048 1
1 958 . 14 2 2 B 13 13 ASN CA C 111 53.765 54.102 -0.337 1
1 959 . 14 2 2 B 13 13 ASN CB C 111 39.562 41.450 -1.888 1
1 960 . 14 2 2 B 13 13 ASN N N 111 118.317 117.902 0.415 1
1 961 . 14 2 2 B 14 14 TYR H H 112 8.101 8.582 -0.481 1
1 962 . 14 2 2 B 14 14 TYR HA H 112 4.645 4.247 0.398 1
1 969 . 14 2 2 B 14 14 TYR C C 112 176.081 175.896 0.185 1
1 970 . 14 2 2 B 14 14 TYR CA C 112 58.793 61.446 -2.653 1
1 971 . 14 2 2 B 14 14 TYR CB C 112 39.436 39.509 -0.073 1
1 974 . 14 2 2 B 14 14 TYR N N 112 121.125 121.218 -0.093 1
1 975 . 14 2 2 B 15 15 THR H H 113 7.900 7.614 0.286 1
1 976 . 14 2 2 B 15 15 THR HA H 113 4.332 4.550 -0.218 1
1 981 . 14 2 2 B 15 15 THR C C 113 174.413 173.118 1.295 1
1 982 . 14 2 2 B 15 15 THR CA C 113 62.187 61.451 0.736 1
1 983 . 14 2 2 B 15 15 THR CB C 113 70.341 69.315 1.026 1
1 985 . 14 2 2 B 15 15 THR N N 113 116.394 112.650 3.744 1
1 986 . 14 2 2 B 16 16 GLU H H 114 8.283 7.968 0.315 1
1 987 . 14 2 2 B 16 16 GLU HA H 114 4.275 4.827 -0.552 1
1 992 . 14 2 2 B 16 16 GLU C C 114 176.766 175.855 0.911 1
1 993 . 14 2 2 B 16 16 GLU CA C 114 57.410 55.770 1.640 1
1 994 . 14 2 2 B 16 16 GLU CB C 114 30.638 30.011 0.627 1
1 996 . 14 2 2 B 16 16 GLU N N 114 123.052 119.612 3.440 1
1 997 . 14 2 2 B 17 17 GLU H H 115 8.370 8.992 -0.622 1
1 998 . 14 2 2 B 17 17 GLU HA H 115 4.325 4.823 -0.498 1
1 1003 . 14 2 2 B 17 17 GLU C C 115 176.880 174.555 2.325 1
1 1004 . 14 2 2 B 17 17 GLU CA C 115 57.410 54.841 2.569 1
1 1005 . 14 2 2 B 17 17 GLU CB C 115 30.512 32.683 -2.171 1
1 1007 . 14 2 2 B 17 17 GLU N N 115 121.688 125.123 -3.435 1
1 1008 . 14 2 2 B 18 18 MET H H 116 8.314 8.808 -0.494 1
1 1009 . 14 2 2 B 18 18 MET HA H 116 4.509 5.448 -0.939 1
1 1014 . 14 2 2 B 18 18 MET C C 116 177.086 174.812 2.274 1
1 1015 . 14 2 2 B 18 18 MET CA C 116 56.279 53.871 2.408 1
1 1016 . 14 2 2 B 18 18 MET CB C 116 33.026 35.569 -2.543 1
1 1017 . 14 2 2 B 18 18 MET N N 116 121.270 120.854 0.416 1
1 1018 . 14 2 2 B 19 19 GLY H H 117 8.384 8.235 0.149 1
1 1019 . 14 2 2 B 19 19 GLY HA2 H 117 4.061 4.254 -0.193 1
1 1020 . 14 2 2 B 19 19 GLY HA3 H 117 4.061 4.254 -0.193 1
1 1021 . 14 2 2 B 19 19 GLY C C 117 174.481 171.333 3.148 1
1 1022 . 14 2 2 B 19 19 GLY CA C 117 45.847 45.788 0.059 1
1 1023 . 14 2 2 B 19 19 GLY N N 117 110.055 112.348 -2.293 1
1 1024 . 14 2 2 B 20 20 SER H H 118 8.250 8.480 -0.230 1
1 1025 . 14 2 2 B 20 20 SER HA H 118 4.495 5.002 -0.507 1
1 1028 . 14 2 2 B 20 20 SER C C 118 175.327 172.584 2.743 1
1 1029 . 14 2 2 B 20 20 SER CA C 118 58.919 56.941 1.978 1
1 1030 . 14 2 2 B 20 20 SER CB C 118 64.575 65.507 -0.932 1
1 1031 . 14 2 2 B 20 20 SER N N 118 115.664 116.175 -0.511 1
1 1032 . 14 2 2 B 21 21 GLY H H 119 8.429 8.441 -0.012 1
1 1033 . 14 2 2 B 21 21 GLY HA2 H 119 4.000 4.136 -0.136 1
1 1034 . 14 2 2 B 21 21 GLY HA3 H 119 4.000 4.136 -0.136 1
1 1035 . 14 2 2 B 21 21 GLY C C 119 174.002 172.127 1.875 1
1 1036 . 14 2 2 B 21 21 GLY CA C 119 45.721 45.593 0.128 1
1 1037 . 14 2 2 B 21 21 GLY N N 119 110.872 109.397 1.475 1
1 1038 . 14 2 2 B 22 22 ASP H H 120 8.127 8.717 -0.590 1
1 1039 . 14 2 2 B 22 22 ASP HA H 120 4.634 5.142 -0.508 1
1 1042 . 14 2 2 B 22 22 ASP C C 120 176.355 176.073 0.282 1
1 1043 . 14 2 2 B 22 22 ASP CA C 120 54.771 52.808 1.963 1
1 1044 . 14 2 2 B 22 22 ASP CB C 120 41.699 42.339 -0.640 1
1 1045 . 14 2 2 B 22 22 ASP N N 120 120.530 125.051 -4.521 1
1 1046 . 14 2 2 B 23 23 TYR H H 121 8.097 8.803 -0.706 1
1 1047 . 14 2 2 B 23 23 TYR HA H 121 4.555 4.393 0.162 1
1 1054 . 14 2 2 B 23 23 TYR C C 121 176.058 174.490 1.568 1
1 1055 . 14 2 2 B 23 23 TYR CA C 121 58.667 60.795 -2.128 1
1 1056 . 14 2 2 B 23 23 TYR CB C 121 39.311 40.112 -0.801 1
1 1059 . 14 2 2 B 23 23 TYR N N 121 120.584 120.752 -0.168 1
1 1060 . 14 2 2 B 24 24 ASP H H 122 8.224 7.752 0.472 1
1 1061 . 14 2 2 B 24 24 ASP HA H 122 4.621 5.070 -0.449 1
1 1064 . 14 2 2 B 24 24 ASP C C 122 176.835 173.958 2.877 1
1 1065 . 14 2 2 B 24 24 ASP CA C 122 55.022 53.830 1.192 1
1 1066 . 14 2 2 B 24 24 ASP CB C 122 41.825 44.588 -2.763 1
1 1067 . 14 2 2 B 24 24 ASP N N 122 121.815 118.148 3.667 1
1 1068 . 14 2 2 B 25 25 SER H H 123 8.137 8.775 -0.638 1
1 1069 . 14 2 2 B 25 25 SER HA H 123 4.394 4.471 -0.077 1
1 1072 . 14 2 2 B 25 25 SER C C 123 175.075 174.356 0.719 1
1 1073 . 14 2 2 B 25 25 SER CA C 123 59.547 57.241 2.306 1
1 1074 . 14 2 2 B 25 25 SER CB C 123 63.540 64.556 -1.016 1
1 1075 . 14 2 2 B 25 25 SER N N 123 116.405 117.966 -1.561 1
1 1076 . 14 2 2 B 26 26 MET H H 124 8.221 8.622 -0.401 1
1 1077 . 14 2 2 B 26 26 MET HA H 124 4.500 4.573 -0.073 1
1 1082 . 14 2 2 B 26 26 MET C C 124 176.355 175.314 1.041 1
1 1083 . 14 2 2 B 26 26 MET CA C 124 56.279 56.938 -0.659 1
1 1084 . 14 2 2 B 26 26 MET CB C 124 32.900 31.678 1.222 1
1 1086 . 14 2 2 B 26 26 MET N N 124 121.210 119.024 2.186 1
1 1087 . 14 2 2 B 27 27 LYS H H 125 7.991 8.589 -0.598 1
1 1088 . 14 2 2 B 27 27 LYS HA H 125 4.352 5.076 -0.724 1
1 1097 . 14 2 2 B 27 27 LYS C C 125 176.355 175.578 0.777 1
1 1098 . 14 2 2 B 27 27 LYS CA C 125 56.656 54.928 1.728 1
1 1099 . 14 2 2 B 27 27 LYS CB C 125 33.529 35.966 -2.437 1
1 1103 . 14 2 2 B 27 27 LYS N N 125 121.457 118.836 2.621 1
1 1104 . 14 2 2 B 28 28 GLU H H 126 8.216 8.847 -0.631 1
1 1105 . 14 2 2 B 28 28 GLU N N 126 122.890 118.297 4.593 1
1 1106 . 14 2 2 B 29 29 PRO HA H 127 4.396 4.225 0.171 1
1 1113 . 14 2 2 B 29 29 PRO C C 127 176.812 175.639 1.173 1
1 1114 . 14 2 2 B 29 29 PRO CA C 127 63.821 62.536 1.285 1
1 1115 . 14 2 2 B 29 29 PRO CB C 127 32.272 31.131 1.141 1
1 1118 . 14 2 2 B 30 30 ALA H H 128 8.282 8.275 0.007 1
1 1119 . 14 2 2 B 30 30 ALA HA H 128 4.316 4.206 0.110 1
1 1123 . 14 2 2 B 30 30 ALA C C 128 177.589 177.374 0.215 1
1 1124 . 14 2 2 B 30 30 ALA CA C 128 53.192 51.026 2.166 1
1 1125 . 14 2 2 B 30 30 ALA CB C 128 19.703 18.334 1.369 1
1 1126 . 14 2 2 B 30 30 ALA N N 128 123.577 125.370 -1.793 1
1 1127 . 14 2 2 B 31 31 PHE H H 129 8.035 7.937 0.098 1
1 1128 . 14 2 2 B 31 31 PHE HA H 129 4.637 4.500 0.137 1
1 1135 . 14 2 2 B 31 31 PHE C C 129 175.624 176.273 -0.649 1
1 1136 . 14 2 2 B 31 31 PHE CA C 129 58.039 59.846 -1.807 1
1 1137 . 14 2 2 B 31 31 PHE CB C 129 40.065 40.389 -0.324 1
1 1140 . 14 2 2 B 31 31 PHE N N 129 118.994 121.986 -2.992 1
1 1141 . 14 2 2 B 32 32 ARG H H 130 8.066 8.121 -0.055 1
1 1142 . 14 2 2 B 32 32 ARG HA H 130 4.351 4.585 -0.234 1
1 1149 . 14 2 2 B 32 32 ARG C C 130 175.875 175.914 -0.039 1
1 1150 . 14 2 2 B 32 32 ARG CA C 130 56.154 55.066 1.088 1
1 1151 . 14 2 2 B 32 32 ARG CB C 130 31.643 30.954 0.689 1
1 1154 . 14 2 2 B 32 32 ARG N N 130 123.094 117.417 5.677 1
1 1155 . 14 2 2 B 33 33 GLU H H 131 8.389 8.090 0.299 1
1 1156 . 14 2 2 B 33 33 GLU HA H 131 4.295 4.123 0.172 1
1 1161 . 14 2 2 B 33 33 GLU C C 131 176.766 176.054 0.712 1
1 1162 . 14 2 2 B 33 33 GLU CA C 131 57.285 58.614 -1.329 1
1 1163 . 14 2 2 B 33 33 GLU CB C 131 30.512 28.537 1.975 1
1 1165 . 14 2 2 B 33 33 GLU N N 131 122.719 118.361 4.358 1
1 1166 . 14 2 2 B 34 34 GLU H H 132 8.526 8.875 -0.349 1
1 1167 . 14 2 2 B 34 34 GLU HA H 132 4.321 4.163 0.158 1
1 1172 . 14 2 2 B 34 34 GLU C C 132 176.560 176.743 -0.183 1
1 1173 . 14 2 2 B 34 34 GLU CA C 132 57.400 58.526 -1.126 1
1 1174 . 14 2 2 B 34 34 GLU CB C 132 30.512 29.875 0.637 1
1 1176 . 14 2 2 B 34 34 GLU N N 132 122.122 121.107 1.015 1
1 1177 . 14 2 2 B 35 35 ASN H H 133 8.379 8.186 0.193 1
1 1178 . 14 2 2 B 35 35 ASN HA H 133 4.712 4.424 0.288 1
1 1181 . 14 2 2 B 35 35 ASN C C 133 175.258 174.466 0.792 1
1 1182 . 14 2 2 B 35 35 ASN CA C 133 53.765 53.970 -0.205 1
1 1183 . 14 2 2 B 35 35 ASN CB C 133 39.562 36.912 2.650 1
1 1184 . 14 2 2 B 35 35 ASN N N 133 119.552 118.134 1.418 1
1 1185 . 14 2 2 B 36 36 ALA H H 134 8.175 8.054 0.121 1
1 1186 . 14 2 2 B 36 36 ALA HA H 134 4.308 4.598 -0.290 1
1 1190 . 14 2 2 B 36 36 ALA C C 134 177.520 176.063 1.457 1
1 1191 . 14 2 2 B 36 36 ALA CA C 134 53.192 51.364 1.828 1
1 1192 . 14 2 2 B 36 36 ALA CB C 134 19.703 18.340 1.363 1
1 1193 . 14 2 2 B 36 36 ALA N N 134 124.376 120.928 3.448 1
1 1194 . 14 2 2 B 37 37 ASN H H 135 8.238 8.952 -0.714 1
1 1195 . 14 2 2 B 37 37 ASN HA H 135 4.713 5.206 -0.493 1
1 1198 . 14 2 2 B 37 37 ASN C C 135 175.144 174.179 0.965 1
1 1199 . 14 2 2 B 37 37 ASN CA C 135 53.640 51.626 2.014 1
1 1200 . 14 2 2 B 37 37 ASN CB C 135 39.311 40.350 -1.039 1
1 1201 . 14 2 2 B 37 37 ASN N N 135 117.103 122.769 -5.666 1
1 1202 . 14 2 2 B 38 38 PHE H H 136 7.997 8.389 -0.392 1
1 1203 . 14 2 2 B 38 38 PHE HA H 136 4.678 5.477 -0.799 1
1 1210 . 14 2 2 B 38 38 PHE C C 136 175.601 172.485 3.116 1
1 1211 . 14 2 2 B 38 38 PHE CA C 136 58.165 55.638 2.527 1
1 1212 . 14 2 2 B 38 38 PHE CB C 136 39.939 42.941 -3.002 1
1 1215 . 14 2 2 B 38 38 PHE N N 136 120.229 121.770 -1.541 1
1 1216 . 14 2 2 B 39 39 ASN H H 137 8.272 8.804 -0.532 1
1 1217 . 14 2 2 B 39 39 ASN HA H 137 4.752 5.208 -0.456 1
1 1220 . 14 2 2 B 39 39 ASN C C 137 174.047 173.757 0.290 1
1 1221 . 14 2 2 B 39 39 ASN CA C 137 53.891 52.368 1.523 1
1 1222 . 14 2 2 B 39 39 ASN CB C 137 39.688 41.507 -1.819 1
1 1223 . 14 2 2 B 39 39 ASN N N 137 120.594 118.653 1.941 1
1 3 . 15 1 1 A 4 4 PRO HA H 2 4.509 4.664 -0.155 1
1 10 . 15 1 1 A 4 4 PRO C C 2 177.132 177.173 -0.041 1
1 11 . 15 1 1 A 4 4 PRO CA C 2 63.529 62.214 1.315 1
1 12 . 15 1 1 A 4 4 PRO CB C 2 32.476 31.779 0.697 1
1 15 . 15 1 1 A 5 5 VAL H H 3 8.201 8.490 -0.289 1
1 16 . 15 1 1 A 5 5 VAL HA H 3 4.152 4.192 -0.040 1
1 24 . 15 1 1 A 5 5 VAL C C 3 176.423 175.346 1.077 1
1 25 . 15 1 1 A 5 5 VAL CA C 3 62.873 62.733 0.140 1
1 26 . 15 1 1 A 5 5 VAL CB C 3 33.455 32.374 1.081 1
1 28 . 15 1 1 A 5 5 VAL N N 3 120.488 119.827 0.661 1
1 29 . 15 1 1 A 6 6 SER H H 4 8.276 7.728 0.548 1
1 30 . 15 1 1 A 6 6 SER HA H 4 4.494 5.031 -0.537 1
1 33 . 15 1 1 A 6 6 SER C C 4 174.687 172.935 1.752 1
1 34 . 15 1 1 A 6 6 SER CA C 4 58.375 56.888 1.487 1
1 35 . 15 1 1 A 6 6 SER CB C 4 64.295 65.935 -1.640 1
1 36 . 15 1 1 A 6 6 SER N N 4 119.000 114.170 4.830 1
1 37 . 15 1 1 A 7 7 LEU H H 5 8.238 8.365 -0.127 1
1 38 . 15 1 1 A 7 7 LEU HA H 5 4.406 4.382 0.024 1
1 44 . 15 1 1 A 7 7 LEU C C 5 177.406 175.786 1.620 1
1 45 . 15 1 1 A 7 7 LEU CA C 5 55.766 54.919 0.847 1
1 46 . 15 1 1 A 7 7 LEU CB C 5 43.083 40.414 2.669 1
1 48 . 15 1 1 A 7 7 LEU N N 5 124.704 124.991 -0.287 1
1 49 . 15 1 1 A 8 8 SER H H 6 8.148 8.014 0.134 1
1 50 . 15 1 1 A 8 8 SER HA H 6 4.438 4.765 -0.327 1
1 53 . 15 1 1 A 8 8 SER C C 6 174.321 171.533 2.788 1
1 54 . 15 1 1 A 8 8 SER CA C 6 58.718 57.148 1.570 1
1 55 . 15 1 1 A 8 8 SER CB C 6 64.295 66.311 -2.016 1
1 56 . 15 1 1 A 8 8 SER N N 6 115.960 117.520 -1.560 1
1 57 . 15 1 1 A 9 9 TYR H H 7 7.954 8.709 -0.755 1
1 58 . 15 1 1 A 9 9 TYR HA H 7 4.585 5.148 -0.563 1
1 65 . 15 1 1 A 9 9 TYR C C 7 175.532 174.664 0.868 1
1 66 . 15 1 1 A 9 9 TYR CA C 7 58.335 56.590 1.745 1
1 67 . 15 1 1 A 9 9 TYR CB C 7 39.474 40.846 -1.372 1
1 70 . 15 1 1 A 9 9 TYR N N 7 121.884 119.344 2.540 1
1 71 . 15 1 1 A 10 10 ARG H H 8 8.117 9.074 -0.957 1
1 72 . 15 1 1 A 10 10 ARG HA H 8 4.349 4.840 -0.491 1
1 79 . 15 1 1 A 10 10 ARG C C 8 175.898 175.435 0.463 1
1 80 . 15 1 1 A 10 10 ARG CA C 8 56.048 55.013 1.035 1
1 81 . 15 1 1 A 10 10 ARG CB C 8 31.492 31.214 0.278 1
1 84 . 15 1 1 A 10 10 ARG N N 8 121.977 124.413 -2.436 1
1 85 . 15 1 1 A 11 11 CYS H H 9 8.127 8.470 -0.343 1
1 86 . 15 1 1 A 11 11 CYS HA H 9 5.004 5.132 -0.128 1
1 89 . 15 1 1 A 11 11 CYS C C 9 177.771 173.490 4.281 1
1 90 . 15 1 1 A 11 11 CYS CA C 9 53.192 54.009 -0.817 1
1 91 . 15 1 1 A 11 11 CYS CB C 9 40.897 45.431 -4.534 1
1 92 . 15 1 1 A 11 11 CYS N N 9 121.209 123.657 -2.448 1
1 93 . 15 1 1 A 12 12 PRO HA H 10 4.340 4.288 0.052 1
1 100 . 15 1 1 A 12 12 PRO CA C 10 65.478 65.919 -0.441 1
1 101 . 15 1 1 A 12 12 PRO CB C 10 32.904 31.131 1.773 1
1 104 . 15 1 1 A 13 13 CYS H H 11 8.662 8.129 0.533 1
1 105 . 15 1 1 A 13 13 CYS C C 11 174.618 173.875 0.743 1
1 106 . 15 1 1 A 13 13 CYS N N 11 114.595 115.773 -1.178 1
1 107 . 15 1 1 A 14 14 ARG H H 12 8.236 8.903 -0.667 1
1 108 . 15 1 1 A 14 14 ARG HA H 12 4.075 4.457 -0.382 1
1 115 . 15 1 1 A 14 14 ARG C C 12 175.098 176.410 -1.312 1
1 116 . 15 1 1 A 14 14 ARG CA C 12 57.370 57.754 -0.384 1
1 117 . 15 1 1 A 14 14 ARG CB C 12 31.631 31.006 0.625 1
1 120 . 15 1 1 A 14 14 ARG N N 12 122.779 126.666 -3.887 1
1 121 . 15 1 1 A 15 15 PHE H H 13 7.603 7.945 -0.342 1
1 122 . 15 1 1 A 15 15 PHE HA H 13 4.515 5.279 -0.764 1
1 129 . 15 1 1 A 15 15 PHE C C 13 174.162 173.399 0.763 1
1 130 . 15 1 1 A 15 15 PHE CA C 13 56.289 55.863 0.426 1
1 131 . 15 1 1 A 15 15 PHE CB C 13 41.320 43.115 -1.795 1
1 134 . 15 1 1 A 15 15 PHE N N 13 116.797 115.269 1.528 1
1 135 . 15 1 1 A 16 16 PHE H H 14 8.112 8.985 -0.873 1
1 136 . 15 1 1 A 16 16 PHE HA H 14 4.783 5.400 -0.617 1
1 143 . 15 1 1 A 16 16 PHE C C 14 175.441 172.623 2.818 1
1 144 . 15 1 1 A 16 16 PHE CA C 14 55.767 55.200 0.567 1
1 145 . 15 1 1 A 16 16 PHE CB C 14 41.320 42.569 -1.249 1
1 148 . 15 1 1 A 16 16 PHE N N 14 118.930 116.155 2.775 1
1 149 . 15 1 1 A 17 17 GLU H H 15 8.820 9.687 -0.867 1
1 150 . 15 1 1 A 17 17 GLU HA H 15 4.616 4.769 -0.153 1
1 155 . 15 1 1 A 17 17 GLU C C 15 176.857 176.028 0.829 1
1 156 . 15 1 1 A 17 17 GLU CA C 15 56.289 55.828 0.461 1
1 157 . 15 1 1 A 17 17 GLU CB C 15 31.173 31.049 0.124 1
1 159 . 15 1 1 A 17 17 GLU N N 15 122.825 121.671 1.154 1
1 160 . 15 1 1 A 18 18 SER H H 16 8.746 8.819 -0.073 1
1 161 . 15 1 1 A 18 18 SER HA H 16 4.759 4.682 0.077 1
1 164 . 15 1 1 A 18 18 SER C C 16 177.497 174.409 3.088 1
1 165 . 15 1 1 A 18 18 SER CA C 16 59.328 60.374 -1.046 1
1 166 . 15 1 1 A 18 18 SER CB C 16 64.515 63.535 0.980 1
1 167 . 15 1 1 A 18 18 SER N N 16 118.860 119.547 -0.687 1
1 168 . 15 1 1 A 19 19 HIS H H 17 8.761 8.294 0.467 1
1 169 . 15 1 1 A 19 19 HIS HA H 17 4.859 4.796 0.063 1
1 174 . 15 1 1 A 19 19 HIS C C 17 174.618 174.142 0.476 1
1 175 . 15 1 1 A 19 19 HIS CA C 17 56.449 55.443 1.006 1
1 176 . 15 1 1 A 19 19 HIS CB C 17 29.870 28.326 1.544 1
1 179 . 15 1 1 A 19 19 HIS N N 17 120.535 117.929 2.606 1
1 180 . 15 1 1 A 20 20 VAL H H 18 7.211 8.833 -1.622 1
1 181 . 15 1 1 A 20 20 VAL HA H 18 4.160 4.964 -0.804 1
1 189 . 15 1 1 A 20 20 VAL C C 18 174.436 174.151 0.285 1
1 190 . 15 1 1 A 20 20 VAL CA C 18 62.167 59.763 2.404 1
1 191 . 15 1 1 A 20 20 VAL CB C 18 34.426 35.399 -0.973 1
1 193 . 15 1 1 A 20 20 VAL N N 18 120.872 124.130 -3.258 1
1 194 . 15 1 1 A 21 21 ALA H H 19 8.535 8.433 0.102 1
1 195 . 15 1 1 A 21 21 ALA HA H 19 4.402 4.464 -0.062 1
1 199 . 15 1 1 A 21 21 ALA C C 19 177.657 178.235 -0.578 1
1 200 . 15 1 1 A 21 21 ALA CA C 19 51.193 50.490 0.703 1
1 201 . 15 1 1 A 21 21 ALA CB C 19 19.790 20.235 -0.445 1
1 202 . 15 1 1 A 21 21 ALA N N 19 131.339 128.494 2.845 1
1 203 . 15 1 1 A 22 22 ARG H H 20 7.815 8.030 -0.215 1
1 204 . 15 1 1 A 22 22 ARG HA H 20 2.495 3.315 -0.820 1
1 211 . 15 1 1 A 22 22 ARG C C 20 178.365 176.986 1.379 1
1 212 . 15 1 1 A 22 22 ARG CA C 20 59.379 57.495 1.884 1
1 213 . 15 1 1 A 22 22 ARG CB C 20 29.572 28.867 0.705 1
1 216 . 15 1 1 A 22 22 ARG N N 20 124.365 122.835 1.530 1
1 217 . 15 1 1 A 23 23 ALA H H 21 8.135 7.392 0.743 1
1 218 . 15 1 1 A 23 23 ALA HA H 21 4.070 4.086 -0.016 1
1 222 . 15 1 1 A 23 23 ALA C C 21 178.000 178.047 -0.047 1
1 223 . 15 1 1 A 23 23 ALA CA C 21 54.100 53.562 0.538 1
1 224 . 15 1 1 A 23 23 ALA CB C 21 18.713 18.234 0.479 1
1 225 . 15 1 1 A 23 23 ALA N N 21 117.156 122.725 -5.569 1
1 226 . 15 1 1 A 24 24 ASN H H 22 7.712 7.537 0.175 1
1 227 . 15 1 1 A 24 24 ASN HA H 22 5.008 4.747 0.261 1
1 232 . 15 1 1 A 24 24 ASN C C 22 174.938 174.872 0.066 1
1 233 . 15 1 1 A 24 24 ASN CA C 22 52.869 53.215 -0.346 1
1 234 . 15 1 1 A 24 24 ASN CB C 22 40.573 39.626 0.947 1
1 235 . 15 1 1 A 24 24 ASN N N 22 112.819 115.200 -2.381 1
1 237 . 15 1 1 A 25 25 VAL H H 23 7.508 7.350 0.158 1
1 238 . 15 1 1 A 25 25 VAL HA H 23 4.896 4.255 0.641 1
1 246 . 15 1 1 A 25 25 VAL C C 23 175.829 175.377 0.452 1
1 247 . 15 1 1 A 25 25 VAL CA C 23 59.870 60.712 -0.842 1
1 248 . 15 1 1 A 25 25 VAL CB C 23 35.396 33.282 2.114 1
1 251 . 15 1 1 A 25 25 VAL N N 23 119.721 119.385 0.336 1
1 252 . 15 1 1 A 26 26 LYS H H 24 9.483 9.261 0.222 1
1 253 . 15 1 1 A 26 26 LYS HA H 24 4.350 4.362 -0.012 1
1 262 . 15 1 1 A 26 26 LYS C C 24 176.606 176.415 0.191 1
1 263 . 15 1 1 A 26 26 LYS CA C 24 58.977 57.032 1.945 1
1 264 . 15 1 1 A 26 26 LYS CB C 24 34.567 33.474 1.093 1
1 268 . 15 1 1 A 26 26 LYS N N 24 128.029 125.104 2.925 1
1 269 . 15 1 1 A 27 27 HIS H H 25 7.223 7.691 -0.468 1
1 270 . 15 1 1 A 27 27 HIS HA H 25 4.979 4.928 0.051 1
1 275 . 15 1 1 A 27 27 HIS C C 25 178.434 172.595 5.839 1
1 276 . 15 1 1 A 27 27 HIS CA C 25 55.406 54.768 0.638 1
1 277 . 15 1 1 A 27 27 HIS CB C 25 32.904 31.036 1.868 1
1 280 . 15 1 1 A 27 27 HIS N N 25 109.556 113.779 -4.223 1
1 281 . 15 1 1 A 28 28 LEU H H 26 8.149 8.752 -0.603 1
1 282 . 15 1 1 A 28 28 LEU HA H 26 5.190 5.235 -0.045 1
1 292 . 15 1 1 A 28 28 LEU C C 26 175.510 175.289 0.221 1
1 293 . 15 1 1 A 28 28 LEU CA C 26 53.480 53.355 0.125 1
1 294 . 15 1 1 A 28 28 LEU CB C 26 45.235 45.082 0.153 1
1 298 . 15 1 1 A 28 28 LEU N N 26 117.106 119.922 -2.816 1
1 299 . 15 1 1 A 29 29 LYS H H 27 9.578 9.036 0.542 1
1 300 . 15 1 1 A 29 29 LYS HA H 27 5.385 4.914 0.471 1
1 309 . 15 1 1 A 29 29 LYS C C 27 174.801 174.875 -0.074 1
1 310 . 15 1 1 A 29 29 LYS CA C 27 55.165 54.676 0.489 1
1 311 . 15 1 1 A 29 29 LYS CB C 27 35.253 34.664 0.589 1
1 315 . 15 1 1 A 29 29 LYS N N 27 123.488 123.985 -0.497 1
1 316 . 15 1 1 A 30 30 ILE H H 28 9.133 9.009 0.124 1
1 317 . 15 1 1 A 30 30 ILE HA H 28 4.925 4.937 -0.012 1
1 327 . 15 1 1 A 30 30 ILE C C 28 176.949 174.930 2.019 1
1 328 . 15 1 1 A 30 30 ILE CA C 28 60.542 59.431 1.111 1
1 329 . 15 1 1 A 30 30 ILE CB C 28 39.600 39.403 0.197 1
1 333 . 15 1 1 A 30 30 ILE N N 28 123.846 127.945 -4.099 1
1 334 . 15 1 1 A 31 31 LEU H H 29 8.830 9.734 -0.904 1
1 335 . 15 1 1 A 31 31 LEU HA H 29 4.533 4.827 -0.294 1
1 344 . 15 1 1 A 31 31 LEU C C 29 176.012 175.036 0.976 1
1 345 . 15 1 1 A 31 31 LEU CA C 29 55.406 54.065 1.341 1
1 346 . 15 1 1 A 31 31 LEU CB C 29 43.180 43.529 -0.349 1
1 349 . 15 1 1 A 31 31 LEU N N 29 128.649 127.111 1.538 1
1 350 . 15 1 1 A 32 32 ASN H H 30 8.211 9.024 -0.813 1
1 351 . 15 1 1 A 32 32 ASN HA H 30 5.014 4.967 0.047 1
1 356 . 15 1 1 A 32 32 ASN C C 30 174.664 174.522 0.142 1
1 357 . 15 1 1 A 32 32 ASN CA C 30 52.517 52.277 0.240 1
1 358 . 15 1 1 A 32 32 ASN CB C 30 38.776 39.030 -0.254 1
1 359 . 15 1 1 A 32 32 ASN N N 30 120.791 123.797 -3.006 1
1 361 . 15 1 1 A 33 33 THR H H 31 7.896 8.576 -0.680 1
1 362 . 15 1 1 A 33 33 THR HA H 31 4.842 4.961 -0.119 1
1 367 . 15 1 1 A 33 33 THR CA C 31 58.369 58.909 -0.540 1
1 368 . 15 1 1 A 33 33 THR CB C 31 70.011 69.674 0.337 1
1 370 . 15 1 1 A 33 33 THR N N 31 115.811 117.369 -1.558 1
1 371 . 15 1 1 A 34 34 PRO HA H 32 4.317 4.526 -0.209 1
1 378 . 15 1 1 A 34 34 PRO CA C 32 65.164 63.928 1.236 1
1 379 . 15 1 1 A 34 34 PRO CB C 32 32.484 31.993 0.491 1
1 382 . 15 1 1 A 35 35 ASN H H 33 8.256 8.109 0.147 1
1 383 . 15 1 1 A 35 35 ASN HA H 33 4.651 4.767 -0.116 1
1 388 . 15 1 1 A 35 35 ASN C C 33 174.710 174.605 0.105 1
1 389 . 15 1 1 A 35 35 ASN CA C 33 54.532 53.387 1.145 1
1 390 . 15 1 1 A 35 35 ASN CB C 33 39.167 40.708 -1.541 1
1 391 . 15 1 1 A 35 35 ASN N N 33 120.081 114.941 5.140 1
1 393 . 15 1 1 A 36 36 CYS H H 34 7.548 7.212 0.336 1
1 394 . 15 1 1 A 36 36 CYS HA H 34 4.693 4.833 -0.140 1
1 397 . 15 1 1 A 36 36 CYS C C 34 173.865 171.760 2.105 1
1 398 . 15 1 1 A 36 36 CYS CA C 34 55.447 54.620 0.827 1
1 399 . 15 1 1 A 36 36 CYS CB C 34 45.228 47.310 -2.082 1
1 400 . 15 1 1 A 36 36 CYS N N 34 117.076 115.502 1.574 1
1 401 . 15 1 1 A 37 37 ALA H H 35 8.469 8.319 0.150 1
1 402 . 15 1 1 A 37 37 ALA HA H 35 4.252 4.283 -0.031 1
1 406 . 15 1 1 A 37 37 ALA C C 35 176.423 177.212 -0.789 1
1 407 . 15 1 1 A 37 37 ALA CA C 35 53.537 51.080 2.457 1
1 408 . 15 1 1 A 37 37 ALA CB C 35 19.202 17.475 1.727 1
1 409 . 15 1 1 A 37 37 ALA N N 35 125.153 124.968 0.185 1
1 410 . 15 1 1 A 38 38 CYS H H 36 8.315 8.070 0.245 1
1 411 . 15 1 1 A 38 38 CYS HA H 36 4.211 4.016 0.195 1
1 414 . 15 1 1 A 38 38 CYS C C 36 173.705 173.518 0.187 1
1 415 . 15 1 1 A 38 38 CYS CA C 36 58.616 59.831 -1.215 1
1 416 . 15 1 1 A 38 38 CYS CB C 36 45.705 26.216 19.489 1
1 417 . 15 1 1 A 38 38 CYS N N 36 118.837 120.348 -1.511 1
1 418 . 15 1 1 A 39 39 GLN H H 37 8.926 9.246 -0.320 1
1 419 . 15 1 1 A 39 39 GLN HA H 37 4.609 4.706 -0.097 1
1 426 . 15 1 1 A 39 39 GLN C C 37 173.636 174.812 -1.176 1
1 427 . 15 1 1 A 39 39 GLN CA C 37 54.603 55.029 -0.426 1
1 428 . 15 1 1 A 39 39 GLN CB C 37 31.761 30.194 1.567 1
1 430 . 15 1 1 A 39 39 GLN N N 37 128.567 124.901 3.666 1
1 432 . 15 1 1 A 40 40 ILE H H 38 8.874 8.744 0.130 1
1 433 . 15 1 1 A 40 40 ILE HA H 38 5.093 5.018 0.075 1
1 443 . 15 1 1 A 40 40 ILE C C 38 174.390 174.473 -0.083 1
1 444 . 15 1 1 A 40 40 ILE CA C 38 60.582 60.202 0.380 1
1 445 . 15 1 1 A 40 40 ILE CB C 38 40.048 40.377 -0.329 1
1 449 . 15 1 1 A 40 40 ILE N N 38 123.962 123.644 0.318 1
1 450 . 15 1 1 A 41 41 VAL H H 39 9.120 9.491 -0.371 1
1 451 . 15 1 1 A 41 41 VAL HA H 39 4.905 4.679 0.226 1
1 459 . 15 1 1 A 41 41 VAL C C 39 175.487 174.906 0.581 1
1 460 . 15 1 1 A 41 41 VAL CA C 39 59.980 61.047 -1.067 1
1 461 . 15 1 1 A 41 41 VAL CB C 39 35.868 33.389 2.479 1
1 464 . 15 1 1 A 41 41 VAL N N 39 126.354 129.235 -2.881 1
1 465 . 15 1 1 A 42 42 ALA H H 40 9.513 9.793 -0.280 1
1 466 . 15 1 1 A 42 42 ALA HA H 40 5.154 5.514 -0.360 1
1 470 . 15 1 1 A 42 42 ALA C C 40 175.944 176.125 -0.181 1
1 471 . 15 1 1 A 42 42 ALA CA C 40 50.591 50.011 0.580 1
1 472 . 15 1 1 A 42 42 ALA CB C 40 22.432 22.287 0.145 1
1 473 . 15 1 1 A 42 42 ALA N N 40 128.406 129.829 -1.423 1
1 474 . 15 1 1 A 43 43 ARG H H 41 7.706 8.325 -0.619 1
1 475 . 15 1 1 A 43 43 ARG HA H 41 4.978 4.821 0.157 1
1 482 . 15 1 1 A 43 43 ARG C C 41 175.510 175.856 -0.346 1
1 483 . 15 1 1 A 43 43 ARG CA C 41 54.162 55.573 -1.411 1
1 484 . 15 1 1 A 43 43 ARG CB C 41 31.200 32.000 -0.800 1
1 487 . 15 1 1 A 43 43 ARG N N 41 121.663 122.047 -0.384 1
1 488 . 15 1 1 A 44 44 LEU H H 42 9.164 8.569 0.595 1
1 489 . 15 1 1 A 44 44 LEU HA H 42 5.023 4.529 0.494 1
1 499 . 15 1 1 A 44 44 LEU C C 42 177.840 177.364 0.476 1
1 500 . 15 1 1 A 44 44 LEU CA C 42 54.724 54.419 0.305 1
1 501 . 15 1 1 A 44 44 LEU CB C 42 41.712 42.238 -0.526 1
1 505 . 15 1 1 A 44 44 LEU N N 42 129.087 124.462 4.625 1
1 506 . 15 1 1 A 45 45 LYS H H 43 8.414 8.751 -0.337 1
1 507 . 15 1 1 A 45 45 LYS HA H 43 3.954 3.919 0.035 1
1 516 . 15 1 1 A 45 45 LYS CA C 43 59.016 57.478 1.538 1
1 517 . 15 1 1 A 45 45 LYS CB C 43 34.102 32.459 1.643 1
1 520 . 15 1 1 A 45 45 LYS N N 43 119.674 122.306 -2.632 1
1 521 . 15 1 1 A 48 48 ASN HA H 46 4.723 5.146 -0.423 1
1 526 . 15 1 1 A 48 48 ASN C C 46 175.098 174.276 0.822 1
1 527 . 15 1 1 A 48 48 ASN CA C 46 54.764 51.290 3.474 1
1 528 . 15 1 1 A 48 48 ASN CB C 46 39.265 41.292 -2.027 1
1 530 . 15 1 1 A 49 49 ARG H H 47 7.914 8.412 -0.498 1
1 531 . 15 1 1 A 49 49 ARG HA H 47 4.352 4.492 -0.140 1
1 538 . 15 1 1 A 49 49 ARG C C 47 175.601 176.057 -0.456 1
1 539 . 15 1 1 A 49 49 ARG CA C 47 57.051 56.284 0.767 1
1 540 . 15 1 1 A 49 49 ARG CB C 47 32.121 31.075 1.046 1
1 543 . 15 1 1 A 49 49 ARG N N 47 119.826 120.770 -0.944 1
1 544 . 15 1 1 A 50 50 GLN H H 48 8.542 8.637 -0.095 1
1 545 . 15 1 1 A 50 50 GLN HA H 48 5.495 5.204 0.291 1
1 552 . 15 1 1 A 50 50 GLN C C 48 175.578 175.649 -0.071 1
1 553 . 15 1 1 A 50 50 GLN CA C 48 55.125 54.975 0.150 1
1 554 . 15 1 1 A 50 50 GLN CB C 48 32.121 30.736 1.385 1
1 556 . 15 1 1 A 50 50 GLN N N 48 120.767 119.872 0.895 1
1 558 . 15 1 1 A 51 51 VAL H H 49 8.649 9.285 -0.636 1
1 559 . 15 1 1 A 51 51 VAL HA H 49 4.833 5.191 -0.358 1
1 567 . 15 1 1 A 51 51 VAL C C 49 175.258 173.748 1.510 1
1 568 . 15 1 1 A 51 51 VAL CA C 49 59.338 59.687 -0.349 1
1 569 . 15 1 1 A 51 51 VAL CB C 49 36.155 35.222 0.933 1
1 572 . 15 1 1 A 51 51 VAL N N 49 116.678 117.513 -0.835 1
1 573 . 15 1 1 A 52 52 CYS H H 50 9.099 8.984 0.115 1
1 574 . 15 1 1 A 52 52 CYS HA H 50 5.308 5.340 -0.032 1
1 577 . 15 1 1 A 52 52 CYS C C 50 174.527 172.753 1.774 1
1 578 . 15 1 1 A 52 52 CYS CA C 50 58.054 54.433 3.621 1
1 579 . 15 1 1 A 52 52 CYS CB C 50 43.375 45.135 -1.760 1
1 580 . 15 1 1 A 52 52 CYS N N 50 124.549 120.961 3.588 1
1 581 . 15 1 1 A 53 53 ILE H H 51 8.479 9.540 -1.061 1
1 582 . 15 1 1 A 53 53 ILE HA H 51 4.974 5.137 -0.163 1
1 592 . 15 1 1 A 53 53 ILE C C 51 173.019 173.972 -0.953 1
1 593 . 15 1 1 A 53 53 ILE CA C 51 58.897 59.773 -0.876 1
1 594 . 15 1 1 A 53 53 ILE CB C 51 42.201 41.160 1.041 1
1 598 . 15 1 1 A 53 53 ILE N N 51 122.581 124.358 -1.777 1
1 599 . 15 1 1 A 54 54 ASP H H 52 7.642 8.264 -0.622 1
1 600 . 15 1 1 A 54 54 ASP HA H 52 3.619 4.599 -0.980 1
1 603 . 15 1 1 A 54 54 ASP CA C 52 51.574 51.346 0.228 1
1 604 . 15 1 1 A 54 54 ASP CB C 52 42.515 42.322 0.193 1
1 605 . 15 1 1 A 54 54 ASP N N 52 125.772 124.986 0.786 1
1 606 . 15 1 1 A 55 55 PRO HA H 53 4.023 4.305 -0.282 1
1 613 . 15 1 1 A 55 55 PRO C C 53 176.126 176.778 -0.652 1
1 614 . 15 1 1 A 55 55 PRO CA C 53 63.993 64.011 -0.018 1
1 615 . 15 1 1 A 55 55 PRO CB C 53 33.002 31.486 1.516 1
1 618 . 15 1 1 A 56 56 LYS H H 54 7.930 7.506 0.424 1
1 619 . 15 1 1 A 56 56 LYS HA H 54 4.000 4.355 -0.355 1
1 628 . 15 1 1 A 56 56 LYS C C 54 177.931 176.423 1.508 1
1 629 . 15 1 1 A 56 56 LYS CA C 54 56.770 56.225 0.545 1
1 630 . 15 1 1 A 56 56 LYS CB C 54 32.023 33.217 -1.194 1
1 634 . 15 1 1 A 56 56 LYS N N 54 112.924 116.318 -3.394 1
1 635 . 15 1 1 A 57 57 LEU H H 55 7.161 6.939 0.222 1
1 636 . 15 1 1 A 57 57 LEU HA H 55 4.065 4.151 -0.086 1
1 646 . 15 1 1 A 57 57 LEU C C 55 179.416 177.782 1.634 1
1 647 . 15 1 1 A 57 57 LEU CA C 55 56.088 55.133 0.955 1
1 648 . 15 1 1 A 57 57 LEU CB C 55 42.397 41.769 0.628 1
1 652 . 15 1 1 A 57 57 LEU N N 55 120.593 121.167 -0.574 1
1 653 . 15 1 1 A 58 58 LYS H H 56 8.716 8.860 -0.144 1
1 654 . 15 1 1 A 58 58 LYS HA H 56 3.937 3.848 0.089 1
1 663 . 15 1 1 A 58 58 LYS C C 56 178.937 178.095 0.842 1
1 664 . 15 1 1 A 58 58 LYS CA C 56 60.301 59.836 0.465 1
1 665 . 15 1 1 A 58 58 LYS CB C 56 32.121 32.229 -0.108 1
1 669 . 15 1 1 A 58 58 LYS N N 56 125.479 124.154 1.325 1
1 670 . 15 1 1 A 59 59 TRP H H 57 7.827 8.386 -0.559 1
1 671 . 15 1 1 A 59 59 TRP HA H 57 4.664 4.477 0.187 1
1 680 . 15 1 1 A 59 59 TRP C C 57 178.868 179.360 -0.492 1
1 681 . 15 1 1 A 59 59 TRP CA C 57 58.897 59.912 -1.015 1
1 682 . 15 1 1 A 59 59 TRP CB C 57 28.036 27.943 0.093 1
1 688 . 15 1 1 A 59 59 TRP N N 57 113.433 118.865 -5.432 1
1 690 . 15 1 1 A 60 60 ILE H H 58 6.458 7.420 -0.962 1
1 691 . 15 1 1 A 60 60 ILE HA H 58 3.325 3.419 -0.094 1
1 701 . 15 1 1 A 60 60 ILE C C 58 177.726 177.747 -0.021 1
1 702 . 15 1 1 A 60 60 ILE CA C 58 64.314 64.421 -0.107 1
1 703 . 15 1 1 A 60 60 ILE CB C 58 35.897 36.391 -0.494 1
1 707 . 15 1 1 A 60 60 ILE N N 58 124.379 122.502 1.877 1
1 708 . 15 1 1 A 61 61 GLN H H 59 7.622 8.424 -0.802 1
1 709 . 15 1 1 A 61 61 GLN HA H 59 3.763 3.871 -0.108 1
1 716 . 15 1 1 A 61 61 GLN C C 59 178.434 179.158 -0.724 1
1 717 . 15 1 1 A 61 61 GLN CA C 59 59.379 59.248 0.131 1
1 718 . 15 1 1 A 61 61 GLN CB C 59 28.602 28.424 0.178 1
1 720 . 15 1 1 A 61 61 GLN N N 59 119.070 119.337 -0.267 1
1 722 . 15 1 1 A 62 62 GLU H H 60 8.064 8.065 -0.001 1
1 723 . 15 1 1 A 62 62 GLU HA H 60 4.093 4.097 -0.004 1
1 728 . 15 1 1 A 62 62 GLU C C 60 179.051 178.715 0.336 1
1 729 . 15 1 1 A 62 62 GLU CA C 60 59.659 59.341 0.318 1
1 730 . 15 1 1 A 62 62 GLU CB C 60 30.457 29.713 0.744 1
1 732 . 15 1 1 A 62 62 GLU N N 60 117.166 120.532 -3.366 1
1 733 . 15 1 1 A 63 63 TYR H H 61 7.913 8.117 -0.204 1
1 734 . 15 1 1 A 63 63 TYR HA H 61 4.265 4.286 -0.021 1
1 741 . 15 1 1 A 63 63 TYR C C 61 178.617 177.602 1.015 1
1 742 . 15 1 1 A 63 63 TYR CA C 61 61.184 61.569 -0.385 1
1 743 . 15 1 1 A 63 63 TYR CB C 61 39.461 38.643 0.818 1
1 746 . 15 1 1 A 63 63 TYR N N 61 121.271 122.460 -1.189 1
1 747 . 15 1 1 A 64 64 LEU H H 62 8.252 9.053 -0.801 1
1 748 . 15 1 1 A 64 64 LEU HA H 62 3.977 3.877 0.100 1
1 758 . 15 1 1 A 64 64 LEU C C 62 179.553 179.108 0.445 1
1 759 . 15 1 1 A 64 64 LEU CA C 62 58.014 58.239 -0.225 1
1 760 . 15 1 1 A 64 64 LEU CB C 62 42.397 41.453 0.944 1
1 764 . 15 1 1 A 64 64 LEU N N 62 116.299 120.239 -3.940 1
1 765 . 15 1 1 A 65 65 GLU H H 63 8.453 8.304 0.149 1
1 766 . 15 1 1 A 65 65 GLU HA H 63 3.853 3.899 -0.046 1
1 771 . 15 1 1 A 65 65 GLU C C 63 179.279 179.379 -0.100 1
1 772 . 15 1 1 A 65 65 GLU CA C 63 60.301 59.989 0.312 1
1 773 . 15 1 1 A 65 65 GLU CB C 63 29.870 29.587 0.283 1
1 775 . 15 1 1 A 65 65 GLU N N 63 118.616 117.500 1.116 1
1 776 . 15 1 1 A 66 66 LYS H H 64 7.571 8.325 -0.754 1
1 777 . 15 1 1 A 66 66 LYS HA H 64 4.225 3.993 0.232 1
1 786 . 15 1 1 A 66 66 LYS C C 64 178.457 178.959 -0.502 1
1 787 . 15 1 1 A 66 66 LYS CA C 64 58.496 59.190 -0.694 1
1 788 . 15 1 1 A 66 66 LYS CB C 64 32.400 32.244 0.156 1
1 792 . 15 1 1 A 66 66 LYS N N 64 117.166 119.124 -1.958 1
1 793 . 15 1 1 A 67 67 CYS H H 65 7.916 8.000 -0.084 1
1 794 . 15 1 1 A 67 67 CYS HA H 65 4.561 4.043 0.518 1
1 797 . 15 1 1 A 67 67 CYS C C 65 174.893 176.734 -1.841 1
1 798 . 15 1 1 A 67 67 CYS CA C 65 56.329 62.043 -5.714 1
1 799 . 15 1 1 A 67 67 CYS CB C 65 45.235 26.797 18.438 1
1 800 . 15 1 1 A 67 67 CYS N N 65 115.312 118.945 -3.633 1
1 801 . 15 1 1 A 68 68 LEU H H 66 7.556 7.865 -0.309 1
1 802 . 15 1 1 A 68 68 LEU HA H 66 4.520 3.964 0.556 1
1 812 . 15 1 1 A 68 68 LEU C C 66 176.812 179.120 -2.308 1
1 813 . 15 1 1 A 68 68 LEU CA C 66 55.366 58.054 -2.688 1
1 814 . 15 1 1 A 68 68 LEU CB C 66 43.278 41.226 2.052 1
1 818 . 15 1 1 A 68 68 LEU N N 66 120.930 119.921 1.009 1
1 819 . 15 1 1 A 69 69 ASN H H 67 8.266 7.762 0.504 1
1 820 . 15 1 1 A 69 69 ASN HA H 67 4.681 4.519 0.162 1
1 825 . 15 1 1 A 69 69 ASN CA C 67 53.761 55.558 -1.797 1
1 826 . 15 1 1 A 69 69 ASN CB C 67 39.069 38.998 0.071 1
1 827 . 15 1 1 A 69 69 ASN N N 67 120.279 117.996 2.283 1
1 852 . 15 2 2 B 4 4 GLU H H 102 8.376 8.654 -0.278 1
1 853 . 15 2 2 B 4 4 GLU HA H 102 4.335 5.200 -0.865 1
1 858 . 15 2 2 B 4 4 GLU C C 102 177.132 176.075 1.057 1
1 859 . 15 2 2 B 4 4 GLU CA C 102 57.410 54.912 2.498 1
1 861 . 15 2 2 B 4 4 GLU N N 102 121.884 123.286 -1.402 1
1 862 . 15 2 2 B 5 5 GLY H H 103 8.380 8.324 0.056 1
1 863 . 15 2 2 B 5 5 GLY HA2 H 103 4.003 4.166 -0.163 1
1 864 . 15 2 2 B 5 5 GLY HA3 H 103 4.003 4.169 -0.166 1
1 865 . 15 2 2 B 5 5 GLY C C 103 174.207 171.609 2.598 1
1 866 . 15 2 2 B 5 5 GLY CA C 103 45.750 45.865 -0.115 1
1 867 . 15 2 2 B 5 5 GLY N N 103 110.055 108.095 1.960 1
1 868 . 15 2 2 B 6 6 ILE H H 104 7.851 8.510 -0.659 1
1 869 . 15 2 2 B 6 6 ILE HA H 104 4.305 4.245 0.060 1
1 879 . 15 2 2 B 6 6 ILE C C 104 176.401 176.483 -0.082 1
1 880 . 15 2 2 B 6 6 ILE CA C 104 61.558 61.319 0.239 1
1 881 . 15 2 2 B 6 6 ILE CB C 104 39.436 36.900 2.536 1
1 885 . 15 2 2 B 6 6 ILE N N 104 119.606 122.278 -2.672 1
1 886 . 15 2 2 B 7 7 SER H H 105 8.369 8.228 0.141 1
1 887 . 15 2 2 B 7 7 SER HA H 105 4.564 4.717 -0.153 1
1 890 . 15 2 2 B 7 7 SER C C 105 174.550 173.607 0.943 1
1 891 . 15 2 2 B 7 7 SER CA C 105 58.667 57.297 1.370 1
1 892 . 15 2 2 B 7 7 SER CB C 105 64.072 64.502 -0.430 1
1 893 . 15 2 2 B 7 7 SER N N 105 119.853 118.662 1.191 1
1 894 . 15 2 2 B 8 8 ILE H H 106 7.953 7.446 0.507 1
1 895 . 15 2 2 B 8 8 ILE HA H 106 4.224 4.143 0.081 1
1 905 . 15 2 2 B 8 8 ILE C C 106 175.921 175.385 0.536 1
1 906 . 15 2 2 B 8 8 ILE CA C 106 61.935 60.503 1.432 1
1 907 . 15 2 2 B 8 8 ILE CB C 106 39.436 39.155 0.281 1
1 911 . 15 2 2 B 8 8 ILE N N 106 121.730 122.698 -0.968 1
1 912 . 15 2 2 B 9 9 TYR H H 107 8.171 8.898 -0.727 1
1 913 . 15 2 2 B 9 9 TYR HA H 107 4.736 4.501 0.235 1
1 920 . 15 2 2 B 9 9 TYR C C 107 176.058 175.689 0.369 1
1 921 . 15 2 2 B 9 9 TYR CA C 107 58.165 59.911 -1.746 1
1 922 . 15 2 2 B 9 9 TYR CB C 107 39.436 38.749 0.687 1
1 925 . 15 2 2 B 9 9 TYR N N 107 123.598 126.494 -2.896 1
1 926 . 15 2 2 B 10 10 THR H H 108 7.986 7.591 0.395 1
1 927 . 15 2 2 B 10 10 THR HA H 108 4.452 4.538 -0.086 1
1 932 . 15 2 2 B 10 10 THR C C 108 174.459 171.956 2.503 1
1 933 . 15 2 2 B 10 10 THR CA C 108 62.061 60.485 1.576 1
1 934 . 15 2 2 B 10 10 THR CB C 108 70.608 69.733 0.875 1
1 936 . 15 2 2 B 10 10 THR N N 108 115.642 110.141 5.501 1
1 937 . 15 2 2 B 11 11 SER H H 109 8.193 8.469 -0.276 1
1 938 . 15 2 2 B 11 11 SER HA H 109 4.526 4.791 -0.265 1
1 941 . 15 2 2 B 11 11 SER C C 109 174.504 173.230 1.274 1
1 942 . 15 2 2 B 11 11 SER CA C 109 58.919 56.804 2.115 1
1 943 . 15 2 2 B 11 11 SER CB C 109 64.198 63.670 0.528 1
1 944 . 15 2 2 B 11 11 SER N N 109 117.597 119.299 -1.702 1
1 945 . 15 2 2 B 12 12 ASP H H 110 8.351 8.282 0.069 1
1 946 . 15 2 2 B 12 12 ASP HA H 110 4.650 4.985 -0.335 1
1 949 . 15 2 2 B 12 12 ASP C C 110 176.058 176.407 -0.349 1
1 950 . 15 2 2 B 12 12 ASP CA C 110 55.022 52.598 2.424 1
1 951 . 15 2 2 B 12 12 ASP CB C 110 41.825 42.187 -0.362 1
1 952 . 15 2 2 B 12 12 ASP N N 110 122.020 127.984 -5.964 1
1 953 . 15 2 2 B 13 13 ASN H H 111 8.230 9.016 -0.786 1
1 954 . 15 2 2 B 13 13 ASN HA H 111 4.745 4.460 0.285 1
1 957 . 15 2 2 B 13 13 ASN C C 111 175.030 175.381 -0.351 1
1 958 . 15 2 2 B 13 13 ASN CA C 111 53.765 56.510 -2.745 1
1 959 . 15 2 2 B 13 13 ASN CB C 111 39.562 38.579 0.983 1
1 960 . 15 2 2 B 13 13 ASN N N 111 118.317 123.761 -5.444 1
1 961 . 15 2 2 B 14 14 TYR H H 112 8.101 8.233 -0.132 1
1 962 . 15 2 2 B 14 14 TYR HA H 112 4.645 4.407 0.238 1
1 969 . 15 2 2 B 14 14 TYR C C 112 176.081 175.220 0.861 1
1 970 . 15 2 2 B 14 14 TYR CA C 112 58.793 59.939 -1.146 1
1 971 . 15 2 2 B 14 14 TYR CB C 112 39.436 38.272 1.164 1
1 974 . 15 2 2 B 14 14 TYR N N 112 121.125 118.406 2.719 1
1 975 . 15 2 2 B 15 15 THR H H 113 7.900 8.063 -0.163 1
1 976 . 15 2 2 B 15 15 THR HA H 113 4.332 3.939 0.393 1
1 981 . 15 2 2 B 15 15 THR C C 113 174.413 173.675 0.738 1
1 982 . 15 2 2 B 15 15 THR CA C 113 62.187 62.090 0.097 1
1 983 . 15 2 2 B 15 15 THR CB C 113 70.341 67.950 2.391 1
1 985 . 15 2 2 B 15 15 THR N N 113 116.394 113.063 3.331 1
1 986 . 15 2 2 B 16 16 GLU H H 114 8.283 8.585 -0.302 1
1 987 . 15 2 2 B 16 16 GLU HA H 114 4.275 4.382 -0.107 1
1 992 . 15 2 2 B 16 16 GLU C C 114 176.766 176.139 0.627 1
1 993 . 15 2 2 B 16 16 GLU CA C 114 57.410 55.357 2.053 1
1 994 . 15 2 2 B 16 16 GLU CB C 114 30.638 31.363 -0.725 1
1 996 . 15 2 2 B 16 16 GLU N N 114 123.052 125.095 -2.043 1
1 997 . 15 2 2 B 17 17 GLU H H 115 8.370 8.531 -0.161 1
1 998 . 15 2 2 B 17 17 GLU HA H 115 4.325 4.531 -0.206 1
1 1003 . 15 2 2 B 17 17 GLU C C 115 176.880 176.549 0.331 1
1 1004 . 15 2 2 B 17 17 GLU CA C 115 57.410 55.821 1.589 1
1 1005 . 15 2 2 B 17 17 GLU CB C 115 30.512 31.431 -0.919 1
1 1007 . 15 2 2 B 17 17 GLU N N 115 121.688 119.971 1.717 1
1 1008 . 15 2 2 B 18 18 MET H H 116 8.314 8.631 -0.317 1
1 1009 . 15 2 2 B 18 18 MET HA H 116 4.509 4.653 -0.144 1
1 1014 . 15 2 2 B 18 18 MET C C 116 177.086 176.262 0.824 1
1 1015 . 15 2 2 B 18 18 MET CA C 116 56.279 55.339 0.940 1
1 1016 . 15 2 2 B 18 18 MET CB C 116 33.026 34.108 -1.082 1
1 1017 . 15 2 2 B 18 18 MET N N 116 121.270 119.517 1.753 1
1 1018 . 15 2 2 B 19 19 GLY H H 117 8.384 8.220 0.164 1
1 1019 . 15 2 2 B 19 19 GLY HA2 H 117 4.061 4.255 -0.194 1
1 1020 . 15 2 2 B 19 19 GLY HA3 H 117 4.061 4.260 -0.199 1
1 1021 . 15 2 2 B 19 19 GLY C C 117 174.481 173.561 0.920 1
1 1022 . 15 2 2 B 19 19 GLY CA C 117 45.847 46.073 -0.226 1
1 1023 . 15 2 2 B 19 19 GLY N N 117 110.055 108.689 1.366 1
1 1024 . 15 2 2 B 20 20 SER H H 118 8.250 8.845 -0.595 1
1 1025 . 15 2 2 B 20 20 SER HA H 118 4.495 4.302 0.193 1
1 1028 . 15 2 2 B 20 20 SER C C 118 175.327 174.691 0.636 1
1 1029 . 15 2 2 B 20 20 SER CA C 118 58.919 60.390 -1.471 1
1 1030 . 15 2 2 B 20 20 SER CB C 118 64.575 63.147 1.428 1
1 1031 . 15 2 2 B 20 20 SER N N 118 115.664 115.869 -0.205 1
1 1032 . 15 2 2 B 21 21 GLY H H 119 8.429 8.238 0.191 1
1 1033 . 15 2 2 B 21 21 GLY HA2 H 119 4.000 4.012 -0.012 1
1 1034 . 15 2 2 B 21 21 GLY HA3 H 119 4.000 4.021 -0.021 1
1 1035 . 15 2 2 B 21 21 GLY C C 119 174.002 173.240 0.762 1
1 1036 . 15 2 2 B 21 21 GLY CA C 119 45.721 45.180 0.541 1
1 1037 . 15 2 2 B 21 21 GLY N N 119 110.872 108.474 2.398 1
1 1038 . 15 2 2 B 22 22 ASP H H 120 8.127 7.994 0.133 1
1 1039 . 15 2 2 B 22 22 ASP HA H 120 4.634 4.934 -0.300 1
1 1042 . 15 2 2 B 22 22 ASP C C 120 176.355 175.496 0.859 1
1 1043 . 15 2 2 B 22 22 ASP CA C 120 54.771 53.762 1.009 1
1 1044 . 15 2 2 B 22 22 ASP CB C 120 41.699 42.930 -1.231 1
1 1045 . 15 2 2 B 22 22 ASP N N 120 120.530 120.631 -0.101 1
1 1046 . 15 2 2 B 23 23 TYR H H 121 8.097 8.848 -0.751 1
1 1047 . 15 2 2 B 23 23 TYR HA H 121 4.555 4.558 -0.003 1
1 1054 . 15 2 2 B 23 23 TYR C C 121 176.058 175.044 1.014 1
1 1055 . 15 2 2 B 23 23 TYR CA C 121 58.667 59.732 -1.065 1
1 1056 . 15 2 2 B 23 23 TYR CB C 121 39.311 40.419 -1.108 1
1 1059 . 15 2 2 B 23 23 TYR N N 121 120.584 125.594 -5.010 1
1 1060 . 15 2 2 B 24 24 ASP H H 122 8.224 8.084 0.140 1
1 1061 . 15 2 2 B 24 24 ASP HA H 122 4.621 4.845 -0.224 1
1 1064 . 15 2 2 B 24 24 ASP C C 122 176.835 175.621 1.214 1
1 1065 . 15 2 2 B 24 24 ASP CA C 122 55.022 53.492 1.530 1
1 1066 . 15 2 2 B 24 24 ASP CB C 122 41.825 41.249 0.576 1
1 1067 . 15 2 2 B 24 24 ASP N N 122 121.815 118.371 3.444 1
1 1068 . 15 2 2 B 25 25 SER H H 123 8.137 8.353 -0.216 1
1 1069 . 15 2 2 B 25 25 SER HA H 123 4.394 4.046 0.348 1
1 1072 . 15 2 2 B 25 25 SER C C 123 175.075 173.508 1.567 1
1 1073 . 15 2 2 B 25 25 SER CA C 123 59.547 60.722 -1.175 1
1 1074 . 15 2 2 B 25 25 SER CB C 123 63.540 61.836 1.704 1
1 1075 . 15 2 2 B 25 25 SER N N 123 116.405 118.859 -2.454 1
1 1076 . 15 2 2 B 26 26 MET H H 124 8.221 8.311 -0.090 1
1 1077 . 15 2 2 B 26 26 MET HA H 124 4.500 4.796 -0.296 1
1 1082 . 15 2 2 B 26 26 MET C C 124 176.355 175.018 1.337 1
1 1083 . 15 2 2 B 26 26 MET CA C 124 56.279 54.788 1.491 1
1 1084 . 15 2 2 B 26 26 MET CB C 124 32.900 34.562 -1.662 1
1 1086 . 15 2 2 B 26 26 MET N N 124 121.210 118.999 2.211 1
1 1087 . 15 2 2 B 27 27 LYS H H 125 7.991 8.532 -0.541 1
1 1088 . 15 2 2 B 27 27 LYS HA H 125 4.352 4.707 -0.355 1
1 1097 . 15 2 2 B 27 27 LYS C C 125 176.355 175.276 1.079 1
1 1098 . 15 2 2 B 27 27 LYS CA C 125 56.656 54.820 1.836 1
1 1099 . 15 2 2 B 27 27 LYS CB C 125 33.529 35.021 -1.492 1
1 1103 . 15 2 2 B 27 27 LYS N N 125 121.457 119.280 2.177 1
1 1104 . 15 2 2 B 28 28 GLU H H 126 8.216 8.896 -0.680 1
1 1105 . 15 2 2 B 28 28 GLU N N 126 122.890 117.384 5.506 1
1 1106 . 15 2 2 B 29 29 PRO HA H 127 4.396 4.389 0.007 1
1 1113 . 15 2 2 B 29 29 PRO C C 127 176.812 175.419 1.393 1
1 1114 . 15 2 2 B 29 29 PRO CA C 127 63.821 62.846 0.975 1
1 1115 . 15 2 2 B 29 29 PRO CB C 127 32.272 32.780 -0.508 1
1 1118 . 15 2 2 B 30 30 ALA H H 128 8.282 8.047 0.235 1
1 1119 . 15 2 2 B 30 30 ALA HA H 128 4.316 4.465 -0.149 1
1 1123 . 15 2 2 B 30 30 ALA C C 128 177.589 177.109 0.480 1
1 1124 . 15 2 2 B 30 30 ALA CA C 128 53.192 51.299 1.893 1
1 1125 . 15 2 2 B 30 30 ALA CB C 128 19.703 19.554 0.149 1
1 1126 . 15 2 2 B 30 30 ALA N N 128 123.577 123.463 0.114 1
1 1127 . 15 2 2 B 31 31 PHE H H 129 8.035 8.561 -0.526 1
1 1128 . 15 2 2 B 31 31 PHE HA H 129 4.637 4.502 0.135 1
1 1135 . 15 2 2 B 31 31 PHE C C 129 175.624 175.928 -0.304 1
1 1136 . 15 2 2 B 31 31 PHE CA C 129 58.039 59.605 -1.566 1
1 1137 . 15 2 2 B 31 31 PHE CB C 129 40.065 39.468 0.597 1
1 1140 . 15 2 2 B 31 31 PHE N N 129 118.994 121.283 -2.289 1
1 1141 . 15 2 2 B 32 32 ARG H H 130 8.066 7.824 0.242 1
1 1142 . 15 2 2 B 32 32 ARG HA H 130 4.351 4.747 -0.396 1
1 1149 . 15 2 2 B 32 32 ARG C C 130 175.875 174.548 1.327 1
1 1150 . 15 2 2 B 32 32 ARG CA C 130 56.154 55.700 0.454 1
1 1151 . 15 2 2 B 32 32 ARG CB C 130 31.643 33.572 -1.929 1
1 1154 . 15 2 2 B 32 32 ARG N N 130 123.094 118.523 4.571 1
1 1155 . 15 2 2 B 33 33 GLU H H 131 8.389 8.665 -0.276 1
1 1156 . 15 2 2 B 33 33 GLU HA H 131 4.295 4.257 0.038 1
1 1161 . 15 2 2 B 33 33 GLU C C 131 176.766 175.222 1.544 1
1 1162 . 15 2 2 B 33 33 GLU CA C 131 57.285 57.828 -0.543 1
1 1163 . 15 2 2 B 33 33 GLU CB C 131 30.512 28.823 1.689 1
1 1165 . 15 2 2 B 33 33 GLU N N 131 122.719 121.782 0.937 1
1 1166 . 15 2 2 B 34 34 GLU H H 132 8.526 9.063 -0.537 1
1 1167 . 15 2 2 B 34 34 GLU HA H 132 4.321 4.817 -0.496 1
1 1172 . 15 2 2 B 34 34 GLU C C 132 176.560 175.833 0.727 1
1 1173 . 15 2 2 B 34 34 GLU CA C 132 57.400 54.664 2.736 1
1 1174 . 15 2 2 B 34 34 GLU CB C 132 30.512 32.173 -1.661 1
1 1176 . 15 2 2 B 34 34 GLU N N 132 122.122 124.191 -2.069 1
1 1177 . 15 2 2 B 35 35 ASN H H 133 8.379 8.647 -0.268 1
1 1178 . 15 2 2 B 35 35 ASN HA H 133 4.712 4.777 -0.065 1
1 1181 . 15 2 2 B 35 35 ASN C C 133 175.258 174.801 0.457 1
1 1182 . 15 2 2 B 35 35 ASN CA C 133 53.765 53.752 0.013 1
1 1183 . 15 2 2 B 35 35 ASN CB C 133 39.562 38.583 0.979 1
1 1184 . 15 2 2 B 35 35 ASN N N 133 119.552 121.491 -1.939 1
1 1185 . 15 2 2 B 36 36 ALA H H 134 8.175 8.775 -0.600 1
1 1186 . 15 2 2 B 36 36 ALA HA H 134 4.308 4.865 -0.557 1
1 1190 . 15 2 2 B 36 36 ALA C C 134 177.520 175.299 2.221 1
1 1191 . 15 2 2 B 36 36 ALA CA C 134 53.192 52.237 0.955 1
1 1192 . 15 2 2 B 36 36 ALA CB C 134 19.703 20.821 -1.118 1
1 1193 . 15 2 2 B 36 36 ALA N N 134 124.376 124.702 -0.326 1
1 1194 . 15 2 2 B 37 37 ASN H H 135 8.238 9.100 -0.862 1
1 1195 . 15 2 2 B 37 37 ASN HA H 135 4.713 5.521 -0.808 1
1 1198 . 15 2 2 B 37 37 ASN C C 135 175.144 173.776 1.368 1
1 1199 . 15 2 2 B 37 37 ASN CA C 135 53.640 52.459 1.181 1
1 1200 . 15 2 2 B 37 37 ASN CB C 135 39.311 41.704 -2.393 1
1 1201 . 15 2 2 B 37 37 ASN N N 135 117.103 122.494 -5.391 1
1 1202 . 15 2 2 B 38 38 PHE H H 136 7.997 8.683 -0.686 1
1 1203 . 15 2 2 B 38 38 PHE HA H 136 4.678 5.377 -0.699 1
1 1210 . 15 2 2 B 38 38 PHE C C 136 175.601 172.871 2.730 1
1 1211 . 15 2 2 B 38 38 PHE CA C 136 58.165 55.706 2.459 1
1 1212 . 15 2 2 B 38 38 PHE CB C 136 39.939 42.282 -2.343 1
1 1215 . 15 2 2 B 38 38 PHE N N 136 120.229 120.580 -0.351 1
1 1216 . 15 2 2 B 39 39 ASN H H 137 8.272 9.092 -0.820 1
1 1217 . 15 2 2 B 39 39 ASN HA H 137 4.752 5.691 -0.939 1
1 1220 . 15 2 2 B 39 39 ASN C C 137 174.047 173.750 0.297 1
1 1221 . 15 2 2 B 39 39 ASN CA C 137 53.891 51.989 1.902 1
1 1222 . 15 2 2 B 39 39 ASN CB C 137 39.688 42.715 -3.027 1
1 1223 . 15 2 2 B 39 39 ASN N N 137 120.594 116.425 4.169 1
1 3 . 16 1 1 A 4 4 PRO HA H 2 4.509 4.669 -0.160 1
1 10 . 16 1 1 A 4 4 PRO C C 2 177.132 176.223 0.909 1
1 11 . 16 1 1 A 4 4 PRO CA C 2 63.529 62.265 1.264 1
1 12 . 16 1 1 A 4 4 PRO CB C 2 32.476 32.598 -0.122 1
1 15 . 16 1 1 A 5 5 VAL H H 3 8.201 8.355 -0.154 1
1 16 . 16 1 1 A 5 5 VAL HA H 3 4.152 4.153 -0.001 1
1 24 . 16 1 1 A 5 5 VAL C C 3 176.423 174.082 2.341 1
1 25 . 16 1 1 A 5 5 VAL CA C 3 62.873 62.634 0.239 1
1 26 . 16 1 1 A 5 5 VAL CB C 3 33.455 31.732 1.723 1
1 28 . 16 1 1 A 5 5 VAL N N 3 120.488 121.696 -1.208 1
1 29 . 16 1 1 A 6 6 SER H H 4 8.276 8.954 -0.678 1
1 30 . 16 1 1 A 6 6 SER HA H 4 4.494 4.928 -0.434 1
1 33 . 16 1 1 A 6 6 SER C C 4 174.687 173.044 1.643 1
1 34 . 16 1 1 A 6 6 SER CA C 4 58.375 58.077 0.298 1
1 35 . 16 1 1 A 6 6 SER CB C 4 64.295 63.434 0.861 1
1 36 . 16 1 1 A 6 6 SER N N 4 119.000 126.192 -7.192 1
1 37 . 16 1 1 A 7 7 LEU H H 5 8.238 8.780 -0.542 1
1 38 . 16 1 1 A 7 7 LEU HA H 5 4.406 4.788 -0.382 1
1 44 . 16 1 1 A 7 7 LEU C C 5 177.406 175.784 1.622 1
1 45 . 16 1 1 A 7 7 LEU CA C 5 55.766 53.662 2.104 1
1 46 . 16 1 1 A 7 7 LEU CB C 5 43.083 41.871 1.212 1
1 48 . 16 1 1 A 7 7 LEU N N 5 124.704 127.655 -2.951 1
1 49 . 16 1 1 A 8 8 SER H H 6 8.148 8.516 -0.368 1
1 50 . 16 1 1 A 8 8 SER HA H 6 4.438 4.302 0.136 1
1 53 . 16 1 1 A 8 8 SER C C 6 174.321 173.557 0.764 1
1 54 . 16 1 1 A 8 8 SER CA C 6 58.718 58.508 0.210 1
1 55 . 16 1 1 A 8 8 SER CB C 6 64.295 63.870 0.425 1
1 56 . 16 1 1 A 8 8 SER N N 6 115.960 120.171 -4.211 1
1 57 . 16 1 1 A 9 9 TYR H H 7 7.954 8.670 -0.716 1
1 58 . 16 1 1 A 9 9 TYR HA H 7 4.585 4.735 -0.150 1
1 65 . 16 1 1 A 9 9 TYR C C 7 175.532 174.842 0.690 1
1 66 . 16 1 1 A 9 9 TYR CA C 7 58.335 57.016 1.319 1
1 67 . 16 1 1 A 9 9 TYR CB C 7 39.474 37.145 2.329 1
1 70 . 16 1 1 A 9 9 TYR N N 7 121.884 123.043 -1.159 1
1 71 . 16 1 1 A 10 10 ARG H H 8 8.117 8.385 -0.268 1
1 72 . 16 1 1 A 10 10 ARG HA H 8 4.349 4.906 -0.557 1
1 79 . 16 1 1 A 10 10 ARG C C 8 175.898 174.604 1.294 1
1 80 . 16 1 1 A 10 10 ARG CA C 8 56.048 54.211 1.837 1
1 81 . 16 1 1 A 10 10 ARG CB C 8 31.492 33.950 -2.458 1
1 84 . 16 1 1 A 10 10 ARG N N 8 121.977 125.091 -3.114 1
1 85 . 16 1 1 A 11 11 CYS H H 9 8.127 8.695 -0.568 1
1 86 . 16 1 1 A 11 11 CYS HA H 9 5.004 4.909 0.095 1
1 89 . 16 1 1 A 11 11 CYS C C 9 177.771 173.670 4.101 1
1 90 . 16 1 1 A 11 11 CYS CA C 9 53.192 55.250 -2.058 1
1 91 . 16 1 1 A 11 11 CYS CB C 9 40.897 41.990 -1.093 1
1 92 . 16 1 1 A 11 11 CYS N N 9 121.209 121.894 -0.685 1
1 93 . 16 1 1 A 12 12 PRO HA H 10 4.340 4.294 0.046 1
1 100 . 16 1 1 A 12 12 PRO CA C 10 65.478 65.633 -0.155 1
1 101 . 16 1 1 A 12 12 PRO CB C 10 32.904 31.224 1.680 1
1 104 . 16 1 1 A 13 13 CYS H H 11 8.662 7.460 1.202 1
1 105 . 16 1 1 A 13 13 CYS C C 11 174.618 174.348 0.270 1
1 106 . 16 1 1 A 13 13 CYS N N 11 114.595 115.434 -0.839 1
1 107 . 16 1 1 A 14 14 ARG H H 12 8.236 8.723 -0.487 1
1 108 . 16 1 1 A 14 14 ARG HA H 12 4.075 4.364 -0.289 1
1 115 . 16 1 1 A 14 14 ARG C C 12 175.098 176.249 -1.151 1
1 116 . 16 1 1 A 14 14 ARG CA C 12 57.370 57.586 -0.216 1
1 117 . 16 1 1 A 14 14 ARG CB C 12 31.631 31.210 0.421 1
1 120 . 16 1 1 A 14 14 ARG N N 12 122.779 125.682 -2.903 1
1 121 . 16 1 1 A 15 15 PHE H H 13 7.603 7.411 0.192 1
1 122 . 16 1 1 A 15 15 PHE HA H 13 4.515 5.381 -0.866 1
1 129 . 16 1 1 A 15 15 PHE C C 13 174.162 173.173 0.989 1
1 130 . 16 1 1 A 15 15 PHE CA C 13 56.289 55.678 0.611 1
1 131 . 16 1 1 A 15 15 PHE CB C 13 41.320 42.712 -1.392 1
1 134 . 16 1 1 A 15 15 PHE N N 13 116.797 115.803 0.994 1
1 135 . 16 1 1 A 16 16 PHE H H 14 8.112 9.068 -0.956 1
1 136 . 16 1 1 A 16 16 PHE HA H 14 4.783 5.634 -0.851 1
1 143 . 16 1 1 A 16 16 PHE C C 14 175.441 172.660 2.781 1
1 144 . 16 1 1 A 16 16 PHE CA C 14 55.767 55.190 0.577 1
1 145 . 16 1 1 A 16 16 PHE CB C 14 41.320 42.775 -1.455 1
1 148 . 16 1 1 A 16 16 PHE N N 14 118.930 116.087 2.843 1
1 149 . 16 1 1 A 17 17 GLU H H 15 8.820 9.729 -0.909 1
1 150 . 16 1 1 A 17 17 GLU HA H 15 4.616 5.028 -0.412 1
1 155 . 16 1 1 A 17 17 GLU C C 15 176.857 176.358 0.499 1
1 156 . 16 1 1 A 17 17 GLU CA C 15 56.289 55.288 1.001 1
1 157 . 16 1 1 A 17 17 GLU CB C 15 31.173 31.878 -0.705 1
1 159 . 16 1 1 A 17 17 GLU N N 15 122.825 120.488 2.337 1
1 160 . 16 1 1 A 18 18 SER H H 16 8.746 8.688 0.058 1
1 161 . 16 1 1 A 18 18 SER HA H 16 4.759 5.346 -0.587 1
1 164 . 16 1 1 A 18 18 SER C C 16 177.497 174.474 3.023 1
1 165 . 16 1 1 A 18 18 SER CA C 16 59.328 57.737 1.591 1
1 166 . 16 1 1 A 18 18 SER CB C 16 64.515 64.287 0.228 1
1 167 . 16 1 1 A 18 18 SER N N 16 118.860 117.183 1.677 1
1 168 . 16 1 1 A 19 19 HIS H H 17 8.761 9.435 -0.674 1
1 169 . 16 1 1 A 19 19 HIS HA H 17 4.859 4.504 0.355 1
1 174 . 16 1 1 A 19 19 HIS C C 17 174.618 174.653 -0.035 1
1 175 . 16 1 1 A 19 19 HIS CA C 17 56.449 58.986 -2.537 1
1 176 . 16 1 1 A 19 19 HIS CB C 17 29.870 28.305 1.565 1
1 179 . 16 1 1 A 19 19 HIS N N 17 120.535 119.443 1.092 1
1 180 . 16 1 1 A 20 20 VAL H H 18 7.211 8.635 -1.424 1
1 181 . 16 1 1 A 20 20 VAL HA H 18 4.160 4.236 -0.076 1
1 189 . 16 1 1 A 20 20 VAL C C 18 174.436 174.848 -0.412 1
1 190 . 16 1 1 A 20 20 VAL CA C 18 62.167 64.206 -2.039 1
1 191 . 16 1 1 A 20 20 VAL CB C 18 34.426 30.924 3.502 1
1 193 . 16 1 1 A 20 20 VAL N N 18 120.872 117.820 3.052 1
1 194 . 16 1 1 A 21 21 ALA H H 19 8.535 8.493 0.042 1
1 195 . 16 1 1 A 21 21 ALA HA H 19 4.402 4.306 0.096 1
1 199 . 16 1 1 A 21 21 ALA C C 19 177.657 178.000 -0.343 1
1 200 . 16 1 1 A 21 21 ALA CA C 19 51.193 51.602 -0.409 1
1 201 . 16 1 1 A 21 21 ALA CB C 19 19.790 19.073 0.717 1
1 202 . 16 1 1 A 21 21 ALA N N 19 131.339 128.113 3.226 1
1 203 . 16 1 1 A 22 22 ARG H H 20 7.815 8.254 -0.439 1
1 204 . 16 1 1 A 22 22 ARG HA H 20 2.495 3.099 -0.604 1
1 211 . 16 1 1 A 22 22 ARG C C 20 178.365 177.040 1.325 1
1 212 . 16 1 1 A 22 22 ARG CA C 20 59.379 57.703 1.676 1
1 213 . 16 1 1 A 22 22 ARG CB C 20 29.572 29.283 0.289 1
1 216 . 16 1 1 A 22 22 ARG N N 20 124.365 124.424 -0.059 1
1 217 . 16 1 1 A 23 23 ALA H H 21 8.135 7.396 0.739 1
1 218 . 16 1 1 A 23 23 ALA HA H 21 4.070 4.120 -0.050 1
1 222 . 16 1 1 A 23 23 ALA C C 21 178.000 177.610 0.390 1
1 223 . 16 1 1 A 23 23 ALA CA C 21 54.100 53.219 0.881 1
1 224 . 16 1 1 A 23 23 ALA CB C 21 18.713 18.775 -0.062 1
1 225 . 16 1 1 A 23 23 ALA N N 21 117.156 121.172 -4.016 1
1 226 . 16 1 1 A 24 24 ASN H H 22 7.712 8.133 -0.421 1
1 227 . 16 1 1 A 24 24 ASN HA H 22 5.008 4.861 0.147 1
1 232 . 16 1 1 A 24 24 ASN C C 22 174.938 174.818 0.120 1
1 233 . 16 1 1 A 24 24 ASN CA C 22 52.869 52.347 0.522 1
1 234 . 16 1 1 A 24 24 ASN CB C 22 40.573 38.815 1.758 1
1 235 . 16 1 1 A 24 24 ASN N N 22 112.819 115.271 -2.452 1
1 237 . 16 1 1 A 25 25 VAL H H 23 7.508 7.345 0.163 1
1 238 . 16 1 1 A 25 25 VAL HA H 23 4.896 4.329 0.567 1
1 246 . 16 1 1 A 25 25 VAL C C 23 175.829 175.356 0.473 1
1 247 . 16 1 1 A 25 25 VAL CA C 23 59.870 60.252 -0.382 1
1 248 . 16 1 1 A 25 25 VAL CB C 23 35.396 33.529 1.867 1
1 251 . 16 1 1 A 25 25 VAL N N 23 119.721 120.324 -0.603 1
1 252 . 16 1 1 A 26 26 LYS H H 24 9.483 9.111 0.372 1
1 253 . 16 1 1 A 26 26 LYS HA H 24 4.350 4.389 -0.039 1
1 262 . 16 1 1 A 26 26 LYS C C 24 176.606 176.386 0.220 1
1 263 . 16 1 1 A 26 26 LYS CA C 24 58.977 57.077 1.900 1
1 264 . 16 1 1 A 26 26 LYS CB C 24 34.567 33.517 1.050 1
1 268 . 16 1 1 A 26 26 LYS N N 24 128.029 125.301 2.728 1
1 269 . 16 1 1 A 27 27 HIS H H 25 7.223 7.740 -0.517 1
1 270 . 16 1 1 A 27 27 HIS HA H 25 4.979 4.934 0.045 1
1 275 . 16 1 1 A 27 27 HIS C C 25 178.434 172.558 5.876 1
1 276 . 16 1 1 A 27 27 HIS CA C 25 55.406 54.834 0.572 1
1 277 . 16 1 1 A 27 27 HIS CB C 25 32.904 31.049 1.855 1
1 280 . 16 1 1 A 27 27 HIS N N 25 109.556 113.509 -3.953 1
1 281 . 16 1 1 A 28 28 LEU H H 26 8.149 8.708 -0.559 1
1 282 . 16 1 1 A 28 28 LEU HA H 26 5.190 5.372 -0.182 1
1 292 . 16 1 1 A 28 28 LEU C C 26 175.510 175.104 0.406 1
1 293 . 16 1 1 A 28 28 LEU CA C 26 53.480 53.345 0.135 1
1 294 . 16 1 1 A 28 28 LEU CB C 26 45.235 45.134 0.101 1
1 298 . 16 1 1 A 28 28 LEU N N 26 117.106 119.822 -2.716 1
1 299 . 16 1 1 A 29 29 LYS H H 27 9.578 9.258 0.320 1
1 300 . 16 1 1 A 29 29 LYS HA H 27 5.385 4.944 0.441 1
1 309 . 16 1 1 A 29 29 LYS C C 27 174.801 175.092 -0.291 1
1 310 . 16 1 1 A 29 29 LYS CA C 27 55.165 54.666 0.499 1
1 311 . 16 1 1 A 29 29 LYS CB C 27 35.253 34.868 0.385 1
1 315 . 16 1 1 A 29 29 LYS N N 27 123.488 123.703 -0.215 1
1 316 . 16 1 1 A 30 30 ILE H H 28 9.133 9.037 0.096 1
1 317 . 16 1 1 A 30 30 ILE HA H 28 4.925 5.069 -0.144 1
1 327 . 16 1 1 A 30 30 ILE C C 28 176.949 175.114 1.835 1
1 328 . 16 1 1 A 30 30 ILE CA C 28 60.542 59.665 0.877 1
1 329 . 16 1 1 A 30 30 ILE CB C 28 39.600 39.866 -0.266 1
1 333 . 16 1 1 A 30 30 ILE N N 28 123.846 127.218 -3.372 1
1 334 . 16 1 1 A 31 31 LEU H H 29 8.830 8.923 -0.093 1
1 335 . 16 1 1 A 31 31 LEU HA H 29 4.533 4.975 -0.442 1
1 344 . 16 1 1 A 31 31 LEU C C 29 176.012 174.888 1.124 1
1 345 . 16 1 1 A 31 31 LEU CA C 29 55.406 53.307 2.099 1
1 346 . 16 1 1 A 31 31 LEU CB C 29 43.180 44.553 -1.373 1
1 349 . 16 1 1 A 31 31 LEU N N 29 128.649 125.443 3.206 1
1 350 . 16 1 1 A 32 32 ASN H H 30 8.211 8.981 -0.770 1
1 351 . 16 1 1 A 32 32 ASN HA H 30 5.014 5.040 -0.026 1
1 356 . 16 1 1 A 32 32 ASN C C 30 174.664 175.280 -0.616 1
1 357 . 16 1 1 A 32 32 ASN CA C 30 52.517 52.866 -0.349 1
1 358 . 16 1 1 A 32 32 ASN CB C 30 38.776 39.990 -1.214 1
1 359 . 16 1 1 A 32 32 ASN N N 30 120.791 123.917 -3.126 1
1 361 . 16 1 1 A 33 33 THR H H 31 7.896 8.528 -0.632 1
1 362 . 16 1 1 A 33 33 THR HA H 31 4.842 4.967 -0.125 1
1 367 . 16 1 1 A 33 33 THR CA C 31 58.369 58.468 -0.099 1
1 368 . 16 1 1 A 33 33 THR CB C 31 70.011 69.727 0.284 1
1 370 . 16 1 1 A 33 33 THR N N 31 115.811 115.128 0.683 1
1 371 . 16 1 1 A 34 34 PRO HA H 32 4.317 4.538 -0.221 1
1 378 . 16 1 1 A 34 34 PRO CA C 32 65.164 64.424 0.740 1
1 379 . 16 1 1 A 34 34 PRO CB C 32 32.484 31.927 0.557 1
1 382 . 16 1 1 A 35 35 ASN H H 33 8.256 8.351 -0.095 1
1 383 . 16 1 1 A 35 35 ASN HA H 33 4.651 4.867 -0.216 1
1 388 . 16 1 1 A 35 35 ASN C C 33 174.710 174.313 0.397 1
1 389 . 16 1 1 A 35 35 ASN CA C 33 54.532 52.961 1.571 1
1 390 . 16 1 1 A 35 35 ASN CB C 33 39.167 39.606 -0.439 1
1 391 . 16 1 1 A 35 35 ASN N N 33 120.081 114.768 5.313 1
1 393 . 16 1 1 A 36 36 CYS H H 34 7.548 7.727 -0.179 1
1 394 . 16 1 1 A 36 36 CYS HA H 34 4.693 4.927 -0.234 1
1 397 . 16 1 1 A 36 36 CYS C C 34 173.865 173.150 0.715 1
1 398 . 16 1 1 A 36 36 CYS CA C 34 55.447 54.643 0.804 1
1 399 . 16 1 1 A 36 36 CYS CB C 34 45.228 47.294 -2.066 1
1 400 . 16 1 1 A 36 36 CYS N N 34 117.076 116.143 0.933 1
1 401 . 16 1 1 A 37 37 ALA H H 35 8.469 8.481 -0.012 1
1 402 . 16 1 1 A 37 37 ALA HA H 35 4.252 4.211 0.041 1
1 406 . 16 1 1 A 37 37 ALA C C 35 176.423 177.113 -0.690 1
1 407 . 16 1 1 A 37 37 ALA CA C 35 53.537 52.254 1.283 1
1 408 . 16 1 1 A 37 37 ALA CB C 35 19.202 19.231 -0.029 1
1 409 . 16 1 1 A 37 37 ALA N N 35 125.153 125.227 -0.074 1
1 410 . 16 1 1 A 38 38 CYS H H 36 8.315 8.312 0.003 1
1 411 . 16 1 1 A 38 38 CYS HA H 36 4.211 4.377 -0.166 1
1 414 . 16 1 1 A 38 38 CYS C C 36 173.705 174.103 -0.398 1
1 415 . 16 1 1 A 38 38 CYS CA C 36 58.616 58.841 -0.225 1
1 416 . 16 1 1 A 38 38 CYS CB C 36 45.705 27.550 18.155 1
1 417 . 16 1 1 A 38 38 CYS N N 36 118.837 119.695 -0.858 1
1 418 . 16 1 1 A 39 39 GLN H H 37 8.926 8.496 0.430 1
1 419 . 16 1 1 A 39 39 GLN HA H 37 4.609 4.492 0.117 1
1 426 . 16 1 1 A 39 39 GLN C C 37 173.636 174.611 -0.975 1
1 427 . 16 1 1 A 39 39 GLN CA C 37 54.603 56.030 -1.427 1
1 428 . 16 1 1 A 39 39 GLN CB C 37 31.761 29.661 2.100 1
1 430 . 16 1 1 A 39 39 GLN N N 37 128.567 128.403 0.164 1
1 432 . 16 1 1 A 40 40 ILE H H 38 8.874 8.808 0.066 1
1 433 . 16 1 1 A 40 40 ILE HA H 38 5.093 5.267 -0.174 1
1 443 . 16 1 1 A 40 40 ILE C C 38 174.390 174.612 -0.222 1
1 444 . 16 1 1 A 40 40 ILE CA C 38 60.582 60.075 0.507 1
1 445 . 16 1 1 A 40 40 ILE CB C 38 40.048 41.042 -0.994 1
1 449 . 16 1 1 A 40 40 ILE N N 38 123.962 127.060 -3.098 1
1 450 . 16 1 1 A 41 41 VAL H H 39 9.120 9.142 -0.022 1
1 451 . 16 1 1 A 41 41 VAL HA H 39 4.905 4.896 0.009 1
1 459 . 16 1 1 A 41 41 VAL C C 39 175.487 174.844 0.643 1
1 460 . 16 1 1 A 41 41 VAL CA C 39 59.980 60.799 -0.819 1
1 461 . 16 1 1 A 41 41 VAL CB C 39 35.868 34.340 1.528 1
1 464 . 16 1 1 A 41 41 VAL N N 39 126.354 127.742 -1.388 1
1 465 . 16 1 1 A 42 42 ALA H H 40 9.513 9.420 0.093 1
1 466 . 16 1 1 A 42 42 ALA HA H 40 5.154 5.532 -0.378 1
1 470 . 16 1 1 A 42 42 ALA C C 40 175.944 175.703 0.241 1
1 471 . 16 1 1 A 42 42 ALA CA C 40 50.591 50.497 0.094 1
1 472 . 16 1 1 A 42 42 ALA CB C 40 22.432 22.872 -0.440 1
1 473 . 16 1 1 A 42 42 ALA N N 40 128.406 128.648 -0.242 1
1 474 . 16 1 1 A 43 43 ARG H H 41 7.706 8.285 -0.579 1
1 475 . 16 1 1 A 43 43 ARG HA H 41 4.978 4.770 0.208 1
1 482 . 16 1 1 A 43 43 ARG C C 41 175.510 176.285 -0.775 1
1 483 . 16 1 1 A 43 43 ARG CA C 41 54.162 55.582 -1.420 1
1 484 . 16 1 1 A 43 43 ARG CB C 41 31.200 31.746 -0.546 1
1 487 . 16 1 1 A 43 43 ARG N N 41 121.663 122.287 -0.624 1
1 488 . 16 1 1 A 44 44 LEU H H 42 9.164 8.727 0.437 1
1 489 . 16 1 1 A 44 44 LEU HA H 42 5.023 4.339 0.684 1
1 499 . 16 1 1 A 44 44 LEU C C 42 177.840 176.743 1.097 1
1 500 . 16 1 1 A 44 44 LEU CA C 42 54.724 55.191 -0.467 1
1 501 . 16 1 1 A 44 44 LEU CB C 42 41.712 42.422 -0.710 1
1 505 . 16 1 1 A 44 44 LEU N N 42 129.087 124.218 4.869 1
1 506 . 16 1 1 A 45 45 LYS H H 43 8.414 8.432 -0.018 1
1 507 . 16 1 1 A 45 45 LYS HA H 43 3.954 4.362 -0.408 1
1 516 . 16 1 1 A 45 45 LYS CA C 43 59.016 55.113 3.903 1
1 517 . 16 1 1 A 45 45 LYS CB C 43 34.102 30.487 3.615 1
1 520 . 16 1 1 A 45 45 LYS N N 43 119.674 122.091 -2.417 1
1 521 . 16 1 1 A 48 48 ASN HA H 46 4.723 4.910 -0.187 1
1 526 . 16 1 1 A 48 48 ASN C C 46 175.098 175.525 -0.427 1
1 527 . 16 1 1 A 48 48 ASN CA C 46 54.764 54.176 0.588 1
1 528 . 16 1 1 A 48 48 ASN CB C 46 39.265 40.935 -1.670 1
1 530 . 16 1 1 A 49 49 ARG H H 47 7.914 7.921 -0.007 1
1 531 . 16 1 1 A 49 49 ARG HA H 47 4.352 4.730 -0.378 1
1 538 . 16 1 1 A 49 49 ARG C C 47 175.601 173.713 1.888 1
1 539 . 16 1 1 A 49 49 ARG CA C 47 57.051 54.459 2.592 1
1 540 . 16 1 1 A 49 49 ARG CB C 47 32.121 31.999 0.122 1
1 543 . 16 1 1 A 49 49 ARG N N 47 119.826 113.735 6.091 1
1 544 . 16 1 1 A 50 50 GLN H H 48 8.542 8.712 -0.170 1
1 545 . 16 1 1 A 50 50 GLN HA H 48 5.495 4.934 0.561 1
1 552 . 16 1 1 A 50 50 GLN C C 48 175.578 175.628 -0.050 1
1 553 . 16 1 1 A 50 50 GLN CA C 48 55.125 55.025 0.100 1
1 554 . 16 1 1 A 50 50 GLN CB C 48 32.121 30.463 1.658 1
1 556 . 16 1 1 A 50 50 GLN N N 48 120.767 120.448 0.319 1
1 558 . 16 1 1 A 51 51 VAL H H 49 8.649 9.279 -0.630 1
1 559 . 16 1 1 A 51 51 VAL HA H 49 4.833 4.950 -0.117 1
1 567 . 16 1 1 A 51 51 VAL C C 49 175.258 174.103 1.155 1
1 568 . 16 1 1 A 51 51 VAL CA C 49 59.338 59.700 -0.362 1
1 569 . 16 1 1 A 51 51 VAL CB C 49 36.155 34.207 1.948 1
1 572 . 16 1 1 A 51 51 VAL N N 49 116.678 120.711 -4.033 1
1 573 . 16 1 1 A 52 52 CYS H H 50 9.099 8.837 0.262 1
1 574 . 16 1 1 A 52 52 CYS HA H 50 5.308 5.294 0.014 1
1 577 . 16 1 1 A 52 52 CYS C C 50 174.527 172.832 1.695 1
1 578 . 16 1 1 A 52 52 CYS CA C 50 58.054 54.291 3.763 1
1 579 . 16 1 1 A 52 52 CYS CB C 50 43.375 43.487 -0.112 1
1 580 . 16 1 1 A 52 52 CYS N N 50 124.549 120.061 4.488 1
1 581 . 16 1 1 A 53 53 ILE H H 51 8.479 9.612 -1.133 1
1 582 . 16 1 1 A 53 53 ILE HA H 51 4.974 4.822 0.152 1
1 592 . 16 1 1 A 53 53 ILE C C 51 173.019 174.515 -1.496 1
1 593 . 16 1 1 A 53 53 ILE CA C 51 58.897 59.958 -1.061 1
1 594 . 16 1 1 A 53 53 ILE CB C 51 42.201 40.785 1.416 1
1 598 . 16 1 1 A 53 53 ILE N N 51 122.581 125.663 -3.082 1
1 599 . 16 1 1 A 54 54 ASP H H 52 7.642 8.020 -0.378 1
1 600 . 16 1 1 A 54 54 ASP HA H 52 3.619 4.657 -1.038 1
1 603 . 16 1 1 A 54 54 ASP CA C 52 51.574 51.639 -0.065 1
1 604 . 16 1 1 A 54 54 ASP CB C 52 42.515 42.274 0.241 1
1 605 . 16 1 1 A 54 54 ASP N N 52 125.772 125.153 0.619 1
1 606 . 16 1 1 A 55 55 PRO HA H 53 4.023 4.424 -0.401 1
1 613 . 16 1 1 A 55 55 PRO C C 53 176.126 176.078 0.048 1
1 614 . 16 1 1 A 55 55 PRO CA C 53 63.993 63.768 0.225 1
1 615 . 16 1 1 A 55 55 PRO CB C 53 33.002 31.635 1.367 1
1 618 . 16 1 1 A 56 56 LYS H H 54 7.930 7.897 0.033 1
1 619 . 16 1 1 A 56 56 LYS HA H 54 4.000 4.458 -0.458 1
1 628 . 16 1 1 A 56 56 LYS C C 54 177.931 176.255 1.676 1
1 629 . 16 1 1 A 56 56 LYS CA C 54 56.770 55.418 1.352 1
1 630 . 16 1 1 A 56 56 LYS CB C 54 32.023 32.418 -0.395 1
1 634 . 16 1 1 A 56 56 LYS N N 54 112.924 116.816 -3.892 1
1 635 . 16 1 1 A 57 57 LEU H H 55 7.161 6.830 0.331 1
1 636 . 16 1 1 A 57 57 LEU HA H 55 4.065 4.441 -0.376 1
1 646 . 16 1 1 A 57 57 LEU C C 55 179.416 177.624 1.792 1
1 647 . 16 1 1 A 57 57 LEU CA C 55 56.088 54.153 1.935 1
1 648 . 16 1 1 A 57 57 LEU CB C 55 42.397 42.624 -0.227 1
1 652 . 16 1 1 A 57 57 LEU N N 55 120.593 120.978 -0.385 1
1 653 . 16 1 1 A 58 58 LYS H H 56 8.716 8.783 -0.067 1
1 654 . 16 1 1 A 58 58 LYS HA H 56 3.937 4.489 -0.552 1
1 663 . 16 1 1 A 58 58 LYS C C 56 178.937 178.324 0.613 1
1 664 . 16 1 1 A 58 58 LYS CA C 56 60.301 57.675 2.626 1
1 665 . 16 1 1 A 58 58 LYS CB C 56 32.121 34.703 -2.582 1
1 669 . 16 1 1 A 58 58 LYS N N 56 125.479 122.805 2.674 1
1 670 . 16 1 1 A 59 59 TRP H H 57 7.827 8.290 -0.463 1
1 671 . 16 1 1 A 59 59 TRP HA H 57 4.664 4.481 0.183 1
1 680 . 16 1 1 A 59 59 TRP C C 57 178.868 179.395 -0.527 1
1 681 . 16 1 1 A 59 59 TRP CA C 57 58.897 59.957 -1.060 1
1 682 . 16 1 1 A 59 59 TRP CB C 57 28.036 28.068 -0.032 1
1 688 . 16 1 1 A 59 59 TRP N N 57 113.433 119.888 -6.455 1
1 690 . 16 1 1 A 60 60 ILE H H 58 6.458 7.652 -1.194 1
1 691 . 16 1 1 A 60 60 ILE HA H 58 3.325 3.369 -0.044 1
1 701 . 16 1 1 A 60 60 ILE C C 58 177.726 178.004 -0.278 1
1 702 . 16 1 1 A 60 60 ILE CA C 58 64.314 64.765 -0.451 1
1 703 . 16 1 1 A 60 60 ILE CB C 58 35.897 37.071 -1.174 1
1 707 . 16 1 1 A 60 60 ILE N N 58 124.379 122.568 1.811 1
1 708 . 16 1 1 A 61 61 GLN H H 59 7.622 8.106 -0.484 1
1 709 . 16 1 1 A 61 61 GLN HA H 59 3.763 3.983 -0.220 1
1 716 . 16 1 1 A 61 61 GLN C C 59 178.434 179.141 -0.707 1
1 717 . 16 1 1 A 61 61 GLN CA C 59 59.379 59.138 0.241 1
1 718 . 16 1 1 A 61 61 GLN CB C 59 28.602 28.293 0.309 1
1 720 . 16 1 1 A 61 61 GLN N N 59 119.070 119.149 -0.079 1
1 722 . 16 1 1 A 62 62 GLU H H 60 8.064 7.908 0.156 1
1 723 . 16 1 1 A 62 62 GLU HA H 60 4.093 4.091 0.002 1
1 728 . 16 1 1 A 62 62 GLU C C 60 179.051 178.851 0.200 1
1 729 . 16 1 1 A 62 62 GLU CA C 60 59.659 59.532 0.127 1
1 730 . 16 1 1 A 62 62 GLU CB C 60 30.457 29.699 0.758 1
1 732 . 16 1 1 A 62 62 GLU N N 60 117.166 120.904 -3.738 1
1 733 . 16 1 1 A 63 63 TYR H H 61 7.913 8.134 -0.221 1
1 734 . 16 1 1 A 63 63 TYR HA H 61 4.265 4.265 0.000 1
1 741 . 16 1 1 A 63 63 TYR C C 61 178.617 177.517 1.100 1
1 742 . 16 1 1 A 63 63 TYR CA C 61 61.184 61.685 -0.501 1
1 743 . 16 1 1 A 63 63 TYR CB C 61 39.461 38.846 0.615 1
1 746 . 16 1 1 A 63 63 TYR N N 61 121.271 122.389 -1.118 1
1 747 . 16 1 1 A 64 64 LEU H H 62 8.252 8.910 -0.658 1
1 748 . 16 1 1 A 64 64 LEU HA H 62 3.977 3.914 0.063 1
1 758 . 16 1 1 A 64 64 LEU C C 62 179.553 179.519 0.034 1
1 759 . 16 1 1 A 64 64 LEU CA C 62 58.014 58.251 -0.237 1
1 760 . 16 1 1 A 64 64 LEU CB C 62 42.397 41.434 0.963 1
1 764 . 16 1 1 A 64 64 LEU N N 62 116.299 120.491 -4.192 1
1 765 . 16 1 1 A 65 65 GLU H H 63 8.453 8.493 -0.040 1
1 766 . 16 1 1 A 65 65 GLU HA H 63 3.853 3.962 -0.109 1
1 771 . 16 1 1 A 65 65 GLU C C 63 179.279 179.464 -0.185 1
1 772 . 16 1 1 A 65 65 GLU CA C 63 60.301 59.637 0.664 1
1 773 . 16 1 1 A 65 65 GLU CB C 63 29.870 29.290 0.580 1
1 775 . 16 1 1 A 65 65 GLU N N 63 118.616 117.423 1.193 1
1 776 . 16 1 1 A 66 66 LYS H H 64 7.571 8.277 -0.706 1
1 777 . 16 1 1 A 66 66 LYS HA H 64 4.225 4.077 0.148 1
1 786 . 16 1 1 A 66 66 LYS C C 64 178.457 179.344 -0.887 1
1 787 . 16 1 1 A 66 66 LYS CA C 64 58.496 59.188 -0.692 1
1 788 . 16 1 1 A 66 66 LYS CB C 64 32.400 32.526 -0.126 1
1 792 . 16 1 1 A 66 66 LYS N N 64 117.166 119.091 -1.925 1
1 793 . 16 1 1 A 67 67 CYS H H 65 7.916 7.987 -0.071 1
1 794 . 16 1 1 A 67 67 CYS HA H 65 4.561 4.102 0.459 1
1 797 . 16 1 1 A 67 67 CYS C C 65 174.893 176.993 -2.100 1
1 798 . 16 1 1 A 67 67 CYS CA C 65 56.329 62.027 -5.698 1
1 799 . 16 1 1 A 67 67 CYS CB C 65 45.235 27.096 18.139 1
1 800 . 16 1 1 A 67 67 CYS N N 65 115.312 119.126 -3.814 1
1 801 . 16 1 1 A 68 68 LEU H H 66 7.556 7.672 -0.116 1
1 802 . 16 1 1 A 68 68 LEU HA H 66 4.520 4.096 0.424 1
1 812 . 16 1 1 A 68 68 LEU C C 66 176.812 178.448 -1.636 1
1 813 . 16 1 1 A 68 68 LEU CA C 66 55.366 57.309 -1.943 1
1 814 . 16 1 1 A 68 68 LEU CB C 66 43.278 41.524 1.754 1
1 818 . 16 1 1 A 68 68 LEU N N 66 120.930 119.466 1.464 1
1 819 . 16 1 1 A 69 69 ASN H H 67 8.266 7.575 0.691 1
1 820 . 16 1 1 A 69 69 ASN HA H 67 4.681 4.663 0.018 1
1 825 . 16 1 1 A 69 69 ASN CA C 67 53.761 54.697 -0.936 1
1 826 . 16 1 1 A 69 69 ASN CB C 67 39.069 39.175 -0.106 1
1 827 . 16 1 1 A 69 69 ASN N N 67 120.279 116.826 3.453 1
1 852 . 16 2 2 B 4 4 GLU H H 102 8.376 8.765 -0.389 1
1 853 . 16 2 2 B 4 4 GLU HA H 102 4.335 4.570 -0.235 1
1 858 . 16 2 2 B 4 4 GLU C C 102 177.132 176.395 0.737 1
1 859 . 16 2 2 B 4 4 GLU CA C 102 57.410 55.361 2.049 1
1 861 . 16 2 2 B 4 4 GLU N N 102 121.884 123.991 -2.107 1
1 862 . 16 2 2 B 5 5 GLY H H 103 8.380 8.057 0.323 1
1 863 . 16 2 2 B 5 5 GLY HA2 H 103 4.003 3.981 0.022 1
1 864 . 16 2 2 B 5 5 GLY HA3 H 103 4.003 3.982 0.021 1
1 865 . 16 2 2 B 5 5 GLY C C 103 174.207 174.582 -0.375 1
1 866 . 16 2 2 B 5 5 GLY CA C 103 45.750 46.186 -0.436 1
1 867 . 16 2 2 B 5 5 GLY N N 103 110.055 108.842 1.213 1
1 868 . 16 2 2 B 6 6 ILE H H 104 7.851 8.134 -0.283 1
1 869 . 16 2 2 B 6 6 ILE HA H 104 4.305 3.990 0.315 1
1 879 . 16 2 2 B 6 6 ILE C C 104 176.401 175.345 1.056 1
1 880 . 16 2 2 B 6 6 ILE CA C 104 61.558 61.608 -0.050 1
1 881 . 16 2 2 B 6 6 ILE CB C 104 39.436 37.628 1.808 1
1 885 . 16 2 2 B 6 6 ILE N N 104 119.606 121.523 -1.917 1
1 886 . 16 2 2 B 7 7 SER H H 105 8.369 8.882 -0.513 1
1 887 . 16 2 2 B 7 7 SER HA H 105 4.564 4.788 -0.224 1
1 890 . 16 2 2 B 7 7 SER C C 105 174.550 174.471 0.079 1
1 891 . 16 2 2 B 7 7 SER CA C 105 58.667 57.999 0.668 1
1 892 . 16 2 2 B 7 7 SER CB C 105 64.072 62.557 1.515 1
1 893 . 16 2 2 B 7 7 SER N N 105 119.853 124.700 -4.847 1
1 894 . 16 2 2 B 8 8 ILE H H 106 7.953 8.234 -0.281 1
1 895 . 16 2 2 B 8 8 ILE HA H 106 4.224 4.304 -0.080 1
1 905 . 16 2 2 B 8 8 ILE C C 106 175.921 175.559 0.362 1
1 906 . 16 2 2 B 8 8 ILE CA C 106 61.935 59.082 2.853 1
1 907 . 16 2 2 B 8 8 ILE CB C 106 39.436 40.059 -0.623 1
1 911 . 16 2 2 B 8 8 ILE N N 106 121.730 121.995 -0.265 1
1 912 . 16 2 2 B 9 9 TYR H H 107 8.171 7.763 0.408 1
1 913 . 16 2 2 B 9 9 TYR HA H 107 4.736 4.511 0.225 1
1 920 . 16 2 2 B 9 9 TYR C C 107 176.058 175.519 0.539 1
1 921 . 16 2 2 B 9 9 TYR CA C 107 58.165 59.290 -1.125 1
1 922 . 16 2 2 B 9 9 TYR CB C 107 39.436 38.923 0.513 1
1 925 . 16 2 2 B 9 9 TYR N N 107 123.598 123.416 0.182 1
1 926 . 16 2 2 B 10 10 THR H H 108 7.986 8.875 -0.889 1
1 927 . 16 2 2 B 10 10 THR HA H 108 4.452 4.611 -0.159 1
1 932 . 16 2 2 B 10 10 THR C C 108 174.459 173.095 1.364 1
1 933 . 16 2 2 B 10 10 THR CA C 108 62.061 61.882 0.179 1
1 934 . 16 2 2 B 10 10 THR CB C 108 70.608 66.940 3.668 1
1 936 . 16 2 2 B 10 10 THR N N 108 115.642 120.672 -5.030 1
1 937 . 16 2 2 B 11 11 SER H H 109 8.193 8.438 -0.245 1
1 938 . 16 2 2 B 11 11 SER HA H 109 4.526 5.034 -0.508 1
1 941 . 16 2 2 B 11 11 SER C C 109 174.504 172.574 1.930 1
1 942 . 16 2 2 B 11 11 SER CA C 109 58.919 57.334 1.585 1
1 943 . 16 2 2 B 11 11 SER CB C 109 64.198 66.293 -2.095 1
1 944 . 16 2 2 B 11 11 SER N N 109 117.597 116.542 1.055 1
1 945 . 16 2 2 B 12 12 ASP H H 110 8.351 9.056 -0.705 1
1 946 . 16 2 2 B 12 12 ASP HA H 110 4.650 4.787 -0.137 1
1 949 . 16 2 2 B 12 12 ASP C C 110 176.058 175.522 0.536 1
1 950 . 16 2 2 B 12 12 ASP CA C 110 55.022 53.692 1.330 1
1 951 . 16 2 2 B 12 12 ASP CB C 110 41.825 40.377 1.448 1
1 952 . 16 2 2 B 12 12 ASP N N 110 122.020 124.138 -2.118 1
1 953 . 16 2 2 B 13 13 ASN H H 111 8.230 8.863 -0.633 1
1 954 . 16 2 2 B 13 13 ASN HA H 111 4.745 4.599 0.146 1
1 957 . 16 2 2 B 13 13 ASN C C 111 175.030 174.148 0.882 1
1 958 . 16 2 2 B 13 13 ASN CA C 111 53.765 54.958 -1.193 1
1 959 . 16 2 2 B 13 13 ASN CB C 111 39.562 38.275 1.287 1
1 960 . 16 2 2 B 13 13 ASN N N 111 118.317 123.316 -4.999 1
1 961 . 16 2 2 B 14 14 TYR H H 112 8.101 7.677 0.424 1
1 962 . 16 2 2 B 14 14 TYR HA H 112 4.645 5.379 -0.734 1
1 969 . 16 2 2 B 14 14 TYR C C 112 176.081 175.036 1.045 1
1 970 . 16 2 2 B 14 14 TYR CA C 112 58.793 56.530 2.263 1
1 971 . 16 2 2 B 14 14 TYR CB C 112 39.436 42.685 -3.249 1
1 974 . 16 2 2 B 14 14 TYR N N 112 121.125 114.368 6.757 1
1 975 . 16 2 2 B 15 15 THR H H 113 7.900 8.864 -0.964 1
1 976 . 16 2 2 B 15 15 THR HA H 113 4.332 5.069 -0.737 1
1 981 . 16 2 2 B 15 15 THR C C 113 174.413 173.192 1.221 1
1 982 . 16 2 2 B 15 15 THR CA C 113 62.187 61.958 0.229 1
1 983 . 16 2 2 B 15 15 THR CB C 113 70.341 70.982 -0.641 1
1 985 . 16 2 2 B 15 15 THR N N 113 116.394 115.476 0.918 1
1 986 . 16 2 2 B 16 16 GLU H H 114 8.283 8.567 -0.284 1
1 987 . 16 2 2 B 16 16 GLU HA H 114 4.275 4.523 -0.248 1
1 992 . 16 2 2 B 16 16 GLU C C 114 176.766 174.948 1.818 1
1 993 . 16 2 2 B 16 16 GLU CA C 114 57.410 56.467 0.943 1
1 994 . 16 2 2 B 16 16 GLU CB C 114 30.638 31.589 -0.951 1
1 996 . 16 2 2 B 16 16 GLU N N 114 123.052 125.716 -2.664 1
1 997 . 16 2 2 B 17 17 GLU H H 115 8.370 9.027 -0.657 1
1 998 . 16 2 2 B 17 17 GLU HA H 115 4.325 4.372 -0.047 1
1 1003 . 16 2 2 B 17 17 GLU C C 115 176.880 175.374 1.506 1
1 1004 . 16 2 2 B 17 17 GLU CA C 115 57.410 57.450 -0.040 1
1 1005 . 16 2 2 B 17 17 GLU CB C 115 30.512 30.426 0.086 1
1 1007 . 16 2 2 B 17 17 GLU N N 115 121.688 129.208 -7.520 1
1 1008 . 16 2 2 B 18 18 MET H H 116 8.314 8.564 -0.250 1
1 1009 . 16 2 2 B 18 18 MET HA H 116 4.509 5.076 -0.567 1
1 1014 . 16 2 2 B 18 18 MET C C 116 177.086 174.743 2.343 1
1 1015 . 16 2 2 B 18 18 MET CA C 116 56.279 54.559 1.720 1
1 1016 . 16 2 2 B 18 18 MET CB C 116 33.026 35.026 -2.000 1
1 1017 . 16 2 2 B 18 18 MET N N 116 121.270 125.936 -4.666 1
1 1018 . 16 2 2 B 19 19 GLY H H 117 8.384 8.445 -0.061 1
1 1019 . 16 2 2 B 19 19 GLY HA2 H 117 4.061 4.122 -0.061 1
1 1020 . 16 2 2 B 19 19 GLY HA3 H 117 4.061 4.125 -0.064 1
1 1021 . 16 2 2 B 19 19 GLY C C 117 174.481 172.220 2.261 1
1 1022 . 16 2 2 B 19 19 GLY CA C 117 45.847 45.557 0.290 1
1 1023 . 16 2 2 B 19 19 GLY N N 117 110.055 110.570 -0.515 1
1 1024 . 16 2 2 B 20 20 SER H H 118 8.250 8.864 -0.614 1
1 1025 . 16 2 2 B 20 20 SER HA H 118 4.495 4.965 -0.470 1
1 1028 . 16 2 2 B 20 20 SER C C 118 175.327 172.923 2.404 1
1 1029 . 16 2 2 B 20 20 SER CA C 118 58.919 56.908 2.011 1
1 1030 . 16 2 2 B 20 20 SER CB C 118 64.575 65.380 -0.805 1
1 1031 . 16 2 2 B 20 20 SER N N 118 115.664 119.175 -3.511 1
1 1032 . 16 2 2 B 21 21 GLY H H 119 8.429 8.497 -0.068 1
1 1033 . 16 2 2 B 21 21 GLY HA2 H 119 4.000 4.155 -0.155 1
1 1034 . 16 2 2 B 21 21 GLY HA3 H 119 4.000 4.160 -0.160 1
1 1035 . 16 2 2 B 21 21 GLY C C 119 174.002 171.366 2.636 1
1 1036 . 16 2 2 B 21 21 GLY CA C 119 45.721 44.024 1.697 1
1 1037 . 16 2 2 B 21 21 GLY N N 119 110.872 111.535 -0.663 1
1 1038 . 16 2 2 B 22 22 ASP H H 120 8.127 8.424 -0.297 1
1 1039 . 16 2 2 B 22 22 ASP HA H 120 4.634 5.217 -0.583 1
1 1042 . 16 2 2 B 22 22 ASP C C 120 176.355 175.398 0.957 1
1 1043 . 16 2 2 B 22 22 ASP CA C 120 54.771 52.915 1.856 1
1 1044 . 16 2 2 B 22 22 ASP CB C 120 41.699 44.286 -2.587 1
1 1045 . 16 2 2 B 22 22 ASP N N 120 120.530 117.068 3.462 1
1 1046 . 16 2 2 B 23 23 TYR H H 121 8.097 8.805 -0.708 1
1 1047 . 16 2 2 B 23 23 TYR HA H 121 4.555 4.639 -0.084 1
1 1054 . 16 2 2 B 23 23 TYR C C 121 176.058 176.631 -0.573 1
1 1055 . 16 2 2 B 23 23 TYR CA C 121 58.667 59.653 -0.986 1
1 1056 . 16 2 2 B 23 23 TYR CB C 121 39.311 40.485 -1.174 1
1 1059 . 16 2 2 B 23 23 TYR N N 121 120.584 120.264 0.320 1
1 1060 . 16 2 2 B 24 24 ASP H H 122 8.224 8.269 -0.045 1
1 1061 . 16 2 2 B 24 24 ASP HA H 122 4.621 4.924 -0.303 1
1 1064 . 16 2 2 B 24 24 ASP C C 122 176.835 175.782 1.053 1
1 1065 . 16 2 2 B 24 24 ASP CA C 122 55.022 53.442 1.580 1
1 1066 . 16 2 2 B 24 24 ASP CB C 122 41.825 42.198 -0.373 1
1 1067 . 16 2 2 B 24 24 ASP N N 122 121.815 118.155 3.660 1
1 1068 . 16 2 2 B 25 25 SER H H 123 8.137 8.319 -0.182 1
1 1069 . 16 2 2 B 25 25 SER HA H 123 4.394 4.434 -0.040 1
1 1072 . 16 2 2 B 25 25 SER C C 123 175.075 173.945 1.130 1
1 1073 . 16 2 2 B 25 25 SER CA C 123 59.547 58.757 0.790 1
1 1074 . 16 2 2 B 25 25 SER CB C 123 63.540 63.346 0.194 1
1 1075 . 16 2 2 B 25 25 SER N N 123 116.405 114.007 2.398 1
1 1076 . 16 2 2 B 26 26 MET H H 124 8.221 8.744 -0.523 1
1 1077 . 16 2 2 B 26 26 MET HA H 124 4.500 4.062 0.438 1
1 1082 . 16 2 2 B 26 26 MET C C 124 176.355 175.641 0.714 1
1 1083 . 16 2 2 B 26 26 MET CA C 124 56.279 55.765 0.514 1
1 1084 . 16 2 2 B 26 26 MET CB C 124 32.900 31.368 1.532 1
1 1086 . 16 2 2 B 26 26 MET N N 124 121.210 119.568 1.642 1
1 1087 . 16 2 2 B 27 27 LYS H H 125 7.991 8.016 -0.025 1
1 1088 . 16 2 2 B 27 27 LYS HA H 125 4.352 5.042 -0.690 1
1 1097 . 16 2 2 B 27 27 LYS C C 125 176.355 175.496 0.859 1
1 1098 . 16 2 2 B 27 27 LYS CA C 125 56.656 54.235 2.421 1
1 1099 . 16 2 2 B 27 27 LYS CB C 125 33.529 35.786 -2.257 1
1 1103 . 16 2 2 B 27 27 LYS N N 125 121.457 118.345 3.112 1
1 1104 . 16 2 2 B 28 28 GLU H H 126 8.216 8.786 -0.570 1
1 1105 . 16 2 2 B 28 28 GLU N N 126 122.890 117.059 5.831 1
1 1106 . 16 2 2 B 29 29 PRO HA H 127 4.396 4.619 -0.223 1
1 1113 . 16 2 2 B 29 29 PRO C C 127 176.812 175.749 1.063 1
1 1114 . 16 2 2 B 29 29 PRO CA C 127 63.821 62.274 1.547 1
1 1115 . 16 2 2 B 29 29 PRO CB C 127 32.272 32.399 -0.127 1
1 1118 . 16 2 2 B 30 30 ALA H H 128 8.282 8.132 0.150 1
1 1119 . 16 2 2 B 30 30 ALA HA H 128 4.316 4.710 -0.394 1
1 1123 . 16 2 2 B 30 30 ALA C C 128 177.589 175.701 1.888 1
1 1124 . 16 2 2 B 30 30 ALA CA C 128 53.192 50.729 2.463 1
1 1125 . 16 2 2 B 30 30 ALA CB C 128 19.703 21.922 -2.219 1
1 1126 . 16 2 2 B 30 30 ALA N N 128 123.577 123.162 0.415 1
1 1127 . 16 2 2 B 31 31 PHE H H 129 8.035 8.668 -0.633 1
1 1128 . 16 2 2 B 31 31 PHE HA H 129 4.637 4.770 -0.133 1
1 1135 . 16 2 2 B 31 31 PHE C C 129 175.624 175.709 -0.085 1
1 1136 . 16 2 2 B 31 31 PHE CA C 129 58.039 57.392 0.647 1
1 1137 . 16 2 2 B 31 31 PHE CB C 129 40.065 37.934 2.131 1
1 1140 . 16 2 2 B 31 31 PHE N N 129 118.994 123.549 -4.555 1
1 1141 . 16 2 2 B 32 32 ARG H H 130 8.066 8.141 -0.075 1
1 1142 . 16 2 2 B 32 32 ARG HA H 130 4.351 4.899 -0.548 1
1 1149 . 16 2 2 B 32 32 ARG C C 130 175.875 175.542 0.333 1
1 1150 . 16 2 2 B 32 32 ARG CA C 130 56.154 53.925 2.229 1
1 1151 . 16 2 2 B 32 32 ARG CB C 130 31.643 33.923 -2.280 1
1 1154 . 16 2 2 B 32 32 ARG N N 130 123.094 122.281 0.813 1
1 1155 . 16 2 2 B 33 33 GLU H H 131 8.389 8.414 -0.025 1
1 1156 . 16 2 2 B 33 33 GLU HA H 131 4.295 4.573 -0.278 1
1 1161 . 16 2 2 B 33 33 GLU C C 131 176.766 176.315 0.451 1
1 1162 . 16 2 2 B 33 33 GLU CA C 131 57.285 56.356 0.929 1
1 1163 . 16 2 2 B 33 33 GLU CB C 131 30.512 30.855 -0.343 1
1 1165 . 16 2 2 B 33 33 GLU N N 131 122.719 119.700 3.019 1
1 1166 . 16 2 2 B 34 34 GLU H H 132 8.526 8.668 -0.142 1
1 1167 . 16 2 2 B 34 34 GLU HA H 132 4.321 4.810 -0.489 1
1 1172 . 16 2 2 B 34 34 GLU C C 132 176.560 175.495 1.065 1
1 1173 . 16 2 2 B 34 34 GLU CA C 132 57.400 55.600 1.800 1
1 1174 . 16 2 2 B 34 34 GLU CB C 132 30.512 30.727 -0.215 1
1 1176 . 16 2 2 B 34 34 GLU N N 132 122.122 122.085 0.037 1
1 1177 . 16 2 2 B 35 35 ASN H H 133 8.379 8.826 -0.447 1
1 1178 . 16 2 2 B 35 35 ASN HA H 133 4.712 5.220 -0.508 1
1 1181 . 16 2 2 B 35 35 ASN C C 133 175.258 173.707 1.551 1
1 1182 . 16 2 2 B 35 35 ASN CA C 133 53.765 52.857 0.908 1
1 1183 . 16 2 2 B 35 35 ASN CB C 133 39.562 41.085 -1.523 1
1 1184 . 16 2 2 B 35 35 ASN N N 133 119.552 123.523 -3.971 1
1 1185 . 16 2 2 B 36 36 ALA H H 134 8.175 8.899 -0.724 1
1 1186 . 16 2 2 B 36 36 ALA HA H 134 4.308 5.165 -0.857 1
1 1190 . 16 2 2 B 36 36 ALA C C 134 177.520 176.050 1.470 1
1 1191 . 16 2 2 B 36 36 ALA CA C 134 53.192 50.188 3.004 1
1 1192 . 16 2 2 B 36 36 ALA CB C 134 19.703 21.028 -1.325 1
1 1193 . 16 2 2 B 36 36 ALA N N 134 124.376 129.698 -5.322 1
1 1194 . 16 2 2 B 37 37 ASN H H 135 8.238 9.027 -0.789 1
1 1195 . 16 2 2 B 37 37 ASN HA H 135 4.713 4.990 -0.277 1
1 1198 . 16 2 2 B 37 37 ASN C C 135 175.144 174.593 0.551 1
1 1199 . 16 2 2 B 37 37 ASN CA C 135 53.640 52.801 0.839 1
1 1200 . 16 2 2 B 37 37 ASN CB C 135 39.311 38.867 0.444 1
1 1201 . 16 2 2 B 37 37 ASN N N 135 117.103 123.512 -6.409 1
1 1202 . 16 2 2 B 38 38 PHE H H 136 7.997 9.049 -1.052 1
1 1203 . 16 2 2 B 38 38 PHE HA H 136 4.678 4.648 0.030 1
1 1210 . 16 2 2 B 38 38 PHE C C 136 175.601 174.643 0.958 1
1 1211 . 16 2 2 B 38 38 PHE CA C 136 58.165 57.375 0.790 1
1 1212 . 16 2 2 B 38 38 PHE CB C 136 39.939 38.789 1.150 1
1 1215 . 16 2 2 B 38 38 PHE N N 136 120.229 128.081 -7.852 1
1 1216 . 16 2 2 B 39 39 ASN H H 137 8.272 8.522 -0.250 1
1 1217 . 16 2 2 B 39 39 ASN HA H 137 4.752 4.803 -0.051 1
1 1220 . 16 2 2 B 39 39 ASN C C 137 174.047 173.745 0.302 1
1 1221 . 16 2 2 B 39 39 ASN CA C 137 53.891 52.795 1.096 1
1 1222 . 16 2 2 B 39 39 ASN CB C 137 39.688 39.821 -0.133 1
1 1223 . 16 2 2 B 39 39 ASN N N 137 120.594 125.979 -5.385 1
1 3 . 17 1 1 A 4 4 PRO HA H 2 4.509 4.522 -0.013 1
1 10 . 17 1 1 A 4 4 PRO C C 2 177.132 176.332 0.800 1
1 11 . 17 1 1 A 4 4 PRO CA C 2 63.529 63.448 0.081 1
1 12 . 17 1 1 A 4 4 PRO CB C 2 32.476 32.550 -0.074 1
1 15 . 17 1 1 A 5 5 VAL H H 3 8.201 7.981 0.220 1
1 16 . 17 1 1 A 5 5 VAL HA H 3 4.152 3.677 0.475 1
1 24 . 17 1 1 A 5 5 VAL C C 3 176.423 175.037 1.386 1
1 25 . 17 1 1 A 5 5 VAL CA C 3 62.873 62.623 0.250 1
1 26 . 17 1 1 A 5 5 VAL CB C 3 33.455 30.052 3.403 1
1 28 . 17 1 1 A 5 5 VAL N N 3 120.488 117.271 3.217 1
1 29 . 17 1 1 A 6 6 SER H H 4 8.276 8.363 -0.087 1
1 30 . 17 1 1 A 6 6 SER HA H 4 4.494 4.871 -0.377 1
1 33 . 17 1 1 A 6 6 SER C C 4 174.687 174.124 0.563 1
1 34 . 17 1 1 A 6 6 SER CA C 4 58.375 58.091 0.284 1
1 35 . 17 1 1 A 6 6 SER CB C 4 64.295 63.938 0.357 1
1 36 . 17 1 1 A 6 6 SER N N 4 119.000 118.610 0.390 1
1 37 . 17 1 1 A 7 7 LEU H H 5 8.238 8.876 -0.638 1
1 38 . 17 1 1 A 7 7 LEU HA H 5 4.406 5.004 -0.598 1
1 44 . 17 1 1 A 7 7 LEU C C 5 177.406 175.557 1.849 1
1 45 . 17 1 1 A 7 7 LEU CA C 5 55.766 53.965 1.801 1
1 46 . 17 1 1 A 7 7 LEU CB C 5 43.083 44.604 -1.521 1
1 48 . 17 1 1 A 7 7 LEU N N 5 124.704 127.508 -2.804 1
1 49 . 17 1 1 A 8 8 SER H H 6 8.148 8.716 -0.568 1
1 50 . 17 1 1 A 8 8 SER HA H 6 4.438 4.694 -0.256 1
1 53 . 17 1 1 A 8 8 SER C C 6 174.321 173.893 0.428 1
1 54 . 17 1 1 A 8 8 SER CA C 6 58.718 57.594 1.124 1
1 55 . 17 1 1 A 8 8 SER CB C 6 64.295 65.578 -1.283 1
1 56 . 17 1 1 A 8 8 SER N N 6 115.960 120.501 -4.541 1
1 57 . 17 1 1 A 9 9 TYR H H 7 7.954 8.228 -0.274 1
1 58 . 17 1 1 A 9 9 TYR HA H 7 4.585 4.113 0.472 1
1 65 . 17 1 1 A 9 9 TYR C C 7 175.532 173.976 1.556 1
1 66 . 17 1 1 A 9 9 TYR CA C 7 58.335 58.845 -0.510 1
1 67 . 17 1 1 A 9 9 TYR CB C 7 39.474 35.381 4.093 1
1 70 . 17 1 1 A 9 9 TYR N N 7 121.884 122.111 -0.227 1
1 71 . 17 1 1 A 10 10 ARG H H 8 8.117 7.634 0.483 1
1 72 . 17 1 1 A 10 10 ARG HA H 8 4.349 4.938 -0.589 1
1 79 . 17 1 1 A 10 10 ARG C C 8 175.898 174.074 1.824 1
1 80 . 17 1 1 A 10 10 ARG CA C 8 56.048 54.209 1.839 1
1 81 . 17 1 1 A 10 10 ARG CB C 8 31.492 33.750 -2.258 1
1 84 . 17 1 1 A 10 10 ARG N N 8 121.977 117.702 4.275 1
1 85 . 17 1 1 A 11 11 CYS H H 9 8.127 8.774 -0.647 1
1 86 . 17 1 1 A 11 11 CYS HA H 9 5.004 4.897 0.107 1
1 89 . 17 1 1 A 11 11 CYS C C 9 177.771 173.653 4.118 1
1 90 . 17 1 1 A 11 11 CYS CA C 9 53.192 54.919 -1.727 1
1 91 . 17 1 1 A 11 11 CYS CB C 9 40.897 42.410 -1.513 1
1 92 . 17 1 1 A 11 11 CYS N N 9 121.209 122.929 -1.720 1
1 93 . 17 1 1 A 12 12 PRO HA H 10 4.340 4.247 0.093 1
1 100 . 17 1 1 A 12 12 PRO CA C 10 65.478 65.263 0.215 1
1 101 . 17 1 1 A 12 12 PRO CB C 10 32.904 31.514 1.390 1
1 104 . 17 1 1 A 13 13 CYS H H 11 8.662 8.208 0.454 1
1 105 . 17 1 1 A 13 13 CYS C C 11 174.618 173.834 0.784 1
1 106 . 17 1 1 A 13 13 CYS N N 11 114.595 117.330 -2.735 1
1 107 . 17 1 1 A 14 14 ARG H H 12 8.236 8.893 -0.657 1
1 108 . 17 1 1 A 14 14 ARG HA H 12 4.075 4.230 -0.155 1
1 115 . 17 1 1 A 14 14 ARG C C 12 175.098 176.313 -1.215 1
1 116 . 17 1 1 A 14 14 ARG CA C 12 57.370 57.493 -0.123 1
1 117 . 17 1 1 A 14 14 ARG CB C 12 31.631 30.754 0.877 1
1 120 . 17 1 1 A 14 14 ARG N N 12 122.779 126.006 -3.227 1
1 121 . 17 1 1 A 15 15 PHE H H 13 7.603 7.727 -0.124 1
1 122 . 17 1 1 A 15 15 PHE HA H 13 4.515 5.211 -0.696 1
1 129 . 17 1 1 A 15 15 PHE C C 13 174.162 174.721 -0.559 1
1 130 . 17 1 1 A 15 15 PHE CA C 13 56.289 56.521 -0.232 1
1 131 . 17 1 1 A 15 15 PHE CB C 13 41.320 43.314 -1.994 1
1 134 . 17 1 1 A 15 15 PHE N N 13 116.797 114.541 2.256 1
1 135 . 17 1 1 A 16 16 PHE H H 14 8.112 8.561 -0.449 1
1 136 . 17 1 1 A 16 16 PHE HA H 14 4.783 5.678 -0.895 1
1 143 . 17 1 1 A 16 16 PHE C C 14 175.441 174.635 0.806 1
1 144 . 17 1 1 A 16 16 PHE CA C 14 55.767 55.542 0.225 1
1 145 . 17 1 1 A 16 16 PHE CB C 14 41.320 41.972 -0.652 1
1 148 . 17 1 1 A 16 16 PHE N N 14 118.930 118.474 0.456 1
1 149 . 17 1 1 A 17 17 GLU H H 15 8.820 9.870 -1.050 1
1 150 . 17 1 1 A 17 17 GLU HA H 15 4.616 4.705 -0.089 1
1 155 . 17 1 1 A 17 17 GLU C C 15 176.857 177.214 -0.357 1
1 156 . 17 1 1 A 17 17 GLU CA C 15 56.289 56.125 0.164 1
1 157 . 17 1 1 A 17 17 GLU CB C 15 31.173 30.449 0.724 1
1 159 . 17 1 1 A 17 17 GLU N N 15 122.825 122.090 0.735 1
1 160 . 17 1 1 A 18 18 SER H H 16 8.746 9.114 -0.368 1
1 161 . 17 1 1 A 18 18 SER HA H 16 4.759 4.661 0.098 1
1 164 . 17 1 1 A 18 18 SER C C 16 177.497 174.675 2.822 1
1 165 . 17 1 1 A 18 18 SER CA C 16 59.328 59.008 0.320 1
1 166 . 17 1 1 A 18 18 SER CB C 16 64.515 64.322 0.193 1
1 167 . 17 1 1 A 18 18 SER N N 16 118.860 118.472 0.388 1
1 168 . 17 1 1 A 19 19 HIS H H 17 8.761 7.747 1.014 1
1 169 . 17 1 1 A 19 19 HIS HA H 17 4.859 5.047 -0.188 1
1 174 . 17 1 1 A 19 19 HIS C C 17 174.618 174.019 0.599 1
1 175 . 17 1 1 A 19 19 HIS CA C 17 56.449 54.194 2.255 1
1 176 . 17 1 1 A 19 19 HIS CB C 17 29.870 30.040 -0.170 1
1 179 . 17 1 1 A 19 19 HIS N N 17 120.535 120.520 0.015 1
1 180 . 17 1 1 A 20 20 VAL H H 18 7.211 8.953 -1.742 1
1 181 . 17 1 1 A 20 20 VAL HA H 18 4.160 4.668 -0.508 1
1 189 . 17 1 1 A 20 20 VAL C C 18 174.436 174.576 -0.140 1
1 190 . 17 1 1 A 20 20 VAL CA C 18 62.167 60.434 1.733 1
1 191 . 17 1 1 A 20 20 VAL CB C 18 34.426 36.054 -1.628 1
1 193 . 17 1 1 A 20 20 VAL N N 18 120.872 124.148 -3.276 1
1 194 . 17 1 1 A 21 21 ALA H H 19 8.535 8.633 -0.098 1
1 195 . 17 1 1 A 21 21 ALA HA H 19 4.402 4.326 0.076 1
1 199 . 17 1 1 A 21 21 ALA C C 19 177.657 177.925 -0.268 1
1 200 . 17 1 1 A 21 21 ALA CA C 19 51.193 51.650 -0.457 1
1 201 . 17 1 1 A 21 21 ALA CB C 19 19.790 19.234 0.556 1
1 202 . 17 1 1 A 21 21 ALA N N 19 131.339 127.824 3.515 1
1 203 . 17 1 1 A 22 22 ARG H H 20 7.815 8.175 -0.360 1
1 204 . 17 1 1 A 22 22 ARG HA H 20 2.495 3.131 -0.636 1
1 211 . 17 1 1 A 22 22 ARG C C 20 178.365 176.861 1.504 1
1 212 . 17 1 1 A 22 22 ARG CA C 20 59.379 57.682 1.697 1
1 213 . 17 1 1 A 22 22 ARG CB C 20 29.572 29.260 0.312 1
1 216 . 17 1 1 A 22 22 ARG N N 20 124.365 123.507 0.858 1
1 217 . 17 1 1 A 23 23 ALA H H 21 8.135 7.408 0.727 1
1 218 . 17 1 1 A 23 23 ALA HA H 21 4.070 4.108 -0.038 1
1 222 . 17 1 1 A 23 23 ALA C C 21 178.000 177.501 0.499 1
1 223 . 17 1 1 A 23 23 ALA CA C 21 54.100 53.044 1.056 1
1 224 . 17 1 1 A 23 23 ALA CB C 21 18.713 19.002 -0.289 1
1 225 . 17 1 1 A 23 23 ALA N N 21 117.156 121.039 -3.883 1
1 226 . 17 1 1 A 24 24 ASN H H 22 7.712 7.849 -0.137 1
1 227 . 17 1 1 A 24 24 ASN HA H 22 5.008 4.843 0.165 1
1 232 . 17 1 1 A 24 24 ASN C C 22 174.938 174.390 0.548 1
1 233 . 17 1 1 A 24 24 ASN CA C 22 52.869 52.211 0.658 1
1 234 . 17 1 1 A 24 24 ASN CB C 22 40.573 38.834 1.739 1
1 235 . 17 1 1 A 24 24 ASN N N 22 112.819 115.263 -2.444 1
1 237 . 17 1 1 A 25 25 VAL H H 23 7.508 7.424 0.084 1
1 238 . 17 1 1 A 25 25 VAL HA H 23 4.896 4.612 0.284 1
1 246 . 17 1 1 A 25 25 VAL C C 23 175.829 174.707 1.122 1
1 247 . 17 1 1 A 25 25 VAL CA C 23 59.870 59.522 0.348 1
1 248 . 17 1 1 A 25 25 VAL CB C 23 35.396 35.053 0.343 1
1 251 . 17 1 1 A 25 25 VAL N N 23 119.721 120.101 -0.380 1
1 252 . 17 1 1 A 26 26 LYS H H 24 9.483 9.178 0.305 1
1 253 . 17 1 1 A 26 26 LYS HA H 24 4.350 4.523 -0.173 1
1 262 . 17 1 1 A 26 26 LYS C C 24 176.606 176.100 0.506 1
1 263 . 17 1 1 A 26 26 LYS CA C 24 58.977 56.647 2.330 1
1 264 . 17 1 1 A 26 26 LYS CB C 24 34.567 34.319 0.248 1
1 268 . 17 1 1 A 26 26 LYS N N 24 128.029 124.730 3.299 1
1 269 . 17 1 1 A 27 27 HIS H H 25 7.223 7.621 -0.398 1
1 270 . 17 1 1 A 27 27 HIS HA H 25 4.979 4.876 0.103 1
1 275 . 17 1 1 A 27 27 HIS C C 25 178.434 172.552 5.882 1
1 276 . 17 1 1 A 27 27 HIS CA C 25 55.406 54.691 0.715 1
1 277 . 17 1 1 A 27 27 HIS CB C 25 32.904 31.027 1.877 1
1 280 . 17 1 1 A 27 27 HIS N N 25 109.556 114.960 -5.404 1
1 281 . 17 1 1 A 28 28 LEU H H 26 8.149 8.720 -0.571 1
1 282 . 17 1 1 A 28 28 LEU HA H 26 5.190 5.239 -0.049 1
1 292 . 17 1 1 A 28 28 LEU C C 26 175.510 175.263 0.247 1
1 293 . 17 1 1 A 28 28 LEU CA C 26 53.480 53.453 0.027 1
1 294 . 17 1 1 A 28 28 LEU CB C 26 45.235 45.199 0.036 1
1 298 . 17 1 1 A 28 28 LEU N N 26 117.106 119.784 -2.678 1
1 299 . 17 1 1 A 29 29 LYS H H 27 9.578 9.175 0.403 1
1 300 . 17 1 1 A 29 29 LYS HA H 27 5.385 4.934 0.451 1
1 309 . 17 1 1 A 29 29 LYS C C 27 174.801 175.027 -0.226 1
1 310 . 17 1 1 A 29 29 LYS CA C 27 55.165 54.698 0.467 1
1 311 . 17 1 1 A 29 29 LYS CB C 27 35.253 34.706 0.547 1
1 315 . 17 1 1 A 29 29 LYS N N 27 123.488 123.543 -0.055 1
1 316 . 17 1 1 A 30 30 ILE H H 28 9.133 9.097 0.036 1
1 317 . 17 1 1 A 30 30 ILE HA H 28 4.925 4.860 0.065 1
1 327 . 17 1 1 A 30 30 ILE C C 28 176.949 175.146 1.803 1
1 328 . 17 1 1 A 30 30 ILE CA C 28 60.542 59.517 1.025 1
1 329 . 17 1 1 A 30 30 ILE CB C 28 39.600 39.178 0.422 1
1 333 . 17 1 1 A 30 30 ILE N N 28 123.846 127.585 -3.739 1
1 334 . 17 1 1 A 31 31 LEU H H 29 8.830 8.955 -0.125 1
1 335 . 17 1 1 A 31 31 LEU HA H 29 4.533 5.004 -0.471 1
1 344 . 17 1 1 A 31 31 LEU C C 29 176.012 174.776 1.236 1
1 345 . 17 1 1 A 31 31 LEU CA C 29 55.406 53.575 1.831 1
1 346 . 17 1 1 A 31 31 LEU CB C 29 43.180 43.766 -0.586 1
1 349 . 17 1 1 A 31 31 LEU N N 29 128.649 125.977 2.672 1
1 350 . 17 1 1 A 32 32 ASN H H 30 8.211 8.975 -0.764 1
1 351 . 17 1 1 A 32 32 ASN HA H 30 5.014 5.006 0.008 1
1 356 . 17 1 1 A 32 32 ASN C C 30 174.664 174.985 -0.321 1
1 357 . 17 1 1 A 32 32 ASN CA C 30 52.517 52.645 -0.128 1
1 358 . 17 1 1 A 32 32 ASN CB C 30 38.776 39.732 -0.956 1
1 359 . 17 1 1 A 32 32 ASN N N 30 120.791 124.911 -4.120 1
1 361 . 17 1 1 A 33 33 THR H H 31 7.896 8.540 -0.644 1
1 362 . 17 1 1 A 33 33 THR HA H 31 4.842 5.018 -0.176 1
1 367 . 17 1 1 A 33 33 THR CA C 31 58.369 58.401 -0.032 1
1 368 . 17 1 1 A 33 33 THR CB C 31 70.011 69.999 0.012 1
1 370 . 17 1 1 A 33 33 THR N N 31 115.811 115.617 0.194 1
1 371 . 17 1 1 A 34 34 PRO HA H 32 4.317 4.573 -0.256 1
1 378 . 17 1 1 A 34 34 PRO CA C 32 65.164 64.219 0.945 1
1 379 . 17 1 1 A 34 34 PRO CB C 32 32.484 31.893 0.591 1
1 382 . 17 1 1 A 35 35 ASN H H 33 8.256 8.621 -0.365 1
1 383 . 17 1 1 A 35 35 ASN HA H 33 4.651 4.597 0.054 1
1 388 . 17 1 1 A 35 35 ASN C C 33 174.710 174.903 -0.193 1
1 389 . 17 1 1 A 35 35 ASN CA C 33 54.532 53.932 0.600 1
1 390 . 17 1 1 A 35 35 ASN CB C 33 39.167 38.968 0.199 1
1 391 . 17 1 1 A 35 35 ASN N N 33 120.081 115.346 4.735 1
1 393 . 17 1 1 A 36 36 CYS H H 34 7.548 7.682 -0.134 1
1 394 . 17 1 1 A 36 36 CYS HA H 34 4.693 4.940 -0.247 1
1 397 . 17 1 1 A 36 36 CYS C C 34 173.865 173.933 -0.068 1
1 398 . 17 1 1 A 36 36 CYS CA C 34 55.447 54.806 0.641 1
1 399 . 17 1 1 A 36 36 CYS CB C 34 45.228 45.684 -0.456 1
1 400 . 17 1 1 A 36 36 CYS N N 34 117.076 116.592 0.484 1
1 401 . 17 1 1 A 37 37 ALA H H 35 8.469 8.326 0.143 1
1 402 . 17 1 1 A 37 37 ALA HA H 35 4.252 4.016 0.236 1
1 406 . 17 1 1 A 37 37 ALA C C 35 176.423 177.041 -0.618 1
1 407 . 17 1 1 A 37 37 ALA CA C 35 53.537 55.373 -1.836 1
1 408 . 17 1 1 A 37 37 ALA CB C 35 19.202 19.116 0.086 1
1 409 . 17 1 1 A 37 37 ALA N N 35 125.153 124.263 0.890 1
1 410 . 17 1 1 A 38 38 CYS H H 36 8.315 7.456 0.859 1
1 411 . 17 1 1 A 38 38 CYS HA H 36 4.211 4.649 -0.438 1
1 414 . 17 1 1 A 38 38 CYS C C 36 173.705 172.309 1.396 1
1 415 . 17 1 1 A 38 38 CYS CA C 36 58.616 58.184 0.432 1
1 416 . 17 1 1 A 38 38 CYS CB C 36 45.705 30.944 14.761 1
1 417 . 17 1 1 A 38 38 CYS N N 36 118.837 112.839 5.998 1
1 418 . 17 1 1 A 39 39 GLN H H 37 8.926 8.271 0.655 1
1 419 . 17 1 1 A 39 39 GLN HA H 37 4.609 5.172 -0.563 1
1 426 . 17 1 1 A 39 39 GLN C C 37 173.636 174.804 -1.168 1
1 427 . 17 1 1 A 39 39 GLN CA C 37 54.603 54.274 0.329 1
1 428 . 17 1 1 A 39 39 GLN CB C 37 31.761 31.583 0.178 1
1 430 . 17 1 1 A 39 39 GLN N N 37 128.567 124.727 3.840 1
1 432 . 17 1 1 A 40 40 ILE H H 38 8.874 9.011 -0.137 1
1 433 . 17 1 1 A 40 40 ILE HA H 38 5.093 5.418 -0.325 1
1 443 . 17 1 1 A 40 40 ILE C C 38 174.390 174.611 -0.221 1
1 444 . 17 1 1 A 40 40 ILE CA C 38 60.582 60.181 0.401 1
1 445 . 17 1 1 A 40 40 ILE CB C 38 40.048 41.133 -1.085 1
1 449 . 17 1 1 A 40 40 ILE N N 38 123.962 124.453 -0.491 1
1 450 . 17 1 1 A 41 41 VAL H H 39 9.120 9.290 -0.170 1
1 451 . 17 1 1 A 41 41 VAL HA H 39 4.905 4.779 0.126 1
1 459 . 17 1 1 A 41 41 VAL C C 39 175.487 174.784 0.703 1
1 460 . 17 1 1 A 41 41 VAL CA C 39 59.980 61.242 -1.262 1
1 461 . 17 1 1 A 41 41 VAL CB C 39 35.868 33.299 2.569 1
1 464 . 17 1 1 A 41 41 VAL N N 39 126.354 128.633 -2.279 1
1 465 . 17 1 1 A 42 42 ALA H H 40 9.513 9.559 -0.046 1
1 466 . 17 1 1 A 42 42 ALA HA H 40 5.154 5.545 -0.391 1
1 470 . 17 1 1 A 42 42 ALA C C 40 175.944 175.285 0.659 1
1 471 . 17 1 1 A 42 42 ALA CA C 40 50.591 50.085 0.506 1
1 472 . 17 1 1 A 42 42 ALA CB C 40 22.432 22.351 0.081 1
1 473 . 17 1 1 A 42 42 ALA N N 40 128.406 130.077 -1.671 1
1 474 . 17 1 1 A 43 43 ARG H H 41 7.706 8.636 -0.930 1
1 475 . 17 1 1 A 43 43 ARG HA H 41 4.978 5.031 -0.053 1
1 482 . 17 1 1 A 43 43 ARG C C 41 175.510 175.623 -0.113 1
1 483 . 17 1 1 A 43 43 ARG CA C 41 54.162 54.706 -0.544 1
1 484 . 17 1 1 A 43 43 ARG CB C 41 31.200 32.784 -1.584 1
1 487 . 17 1 1 A 43 43 ARG N N 41 121.663 123.381 -1.718 1
1 488 . 17 1 1 A 44 44 LEU H H 42 9.164 9.357 -0.193 1
1 489 . 17 1 1 A 44 44 LEU HA H 42 5.023 4.835 0.188 1
1 499 . 17 1 1 A 44 44 LEU C C 42 177.840 177.142 0.698 1
1 500 . 17 1 1 A 44 44 LEU CA C 42 54.724 54.345 0.379 1
1 501 . 17 1 1 A 44 44 LEU CB C 42 41.712 41.900 -0.188 1
1 505 . 17 1 1 A 44 44 LEU N N 42 129.087 127.618 1.469 1
1 506 . 17 1 1 A 45 45 LYS H H 43 8.414 8.914 -0.500 1
1 507 . 17 1 1 A 45 45 LYS HA H 43 3.954 4.315 -0.361 1
1 516 . 17 1 1 A 45 45 LYS CA C 43 59.016 57.984 1.032 1
1 517 . 17 1 1 A 45 45 LYS CB C 43 34.102 32.620 1.482 1
1 520 . 17 1 1 A 45 45 LYS N N 43 119.674 120.918 -1.244 1
1 521 . 17 1 1 A 48 48 ASN HA H 46 4.723 4.983 -0.260 1
1 526 . 17 1 1 A 48 48 ASN C C 46 175.098 173.710 1.388 1
1 527 . 17 1 1 A 48 48 ASN CA C 46 54.764 52.205 2.559 1
1 528 . 17 1 1 A 48 48 ASN CB C 46 39.265 41.353 -2.088 1
1 530 . 17 1 1 A 49 49 ARG H H 47 7.914 8.375 -0.461 1
1 531 . 17 1 1 A 49 49 ARG HA H 47 4.352 4.553 -0.201 1
1 538 . 17 1 1 A 49 49 ARG C C 47 175.601 175.728 -0.127 1
1 539 . 17 1 1 A 49 49 ARG CA C 47 57.051 56.628 0.423 1
1 540 . 17 1 1 A 49 49 ARG CB C 47 32.121 32.110 0.011 1
1 543 . 17 1 1 A 49 49 ARG N N 47 119.826 120.551 -0.725 1
1 544 . 17 1 1 A 50 50 GLN H H 48 8.542 7.907 0.635 1
1 545 . 17 1 1 A 50 50 GLN HA H 48 5.495 5.049 0.446 1
1 552 . 17 1 1 A 50 50 GLN C C 48 175.578 174.121 1.457 1
1 553 . 17 1 1 A 50 50 GLN CA C 48 55.125 55.157 -0.032 1
1 554 . 17 1 1 A 50 50 GLN CB C 48 32.121 32.181 -0.060 1
1 556 . 17 1 1 A 50 50 GLN N N 48 120.767 118.296 2.471 1
1 558 . 17 1 1 A 51 51 VAL H H 49 8.649 8.852 -0.203 1
1 559 . 17 1 1 A 51 51 VAL HA H 49 4.833 4.840 -0.007 1
1 567 . 17 1 1 A 51 51 VAL C C 49 175.258 173.571 1.687 1
1 568 . 17 1 1 A 51 51 VAL CA C 49 59.338 59.132 0.206 1
1 569 . 17 1 1 A 51 51 VAL CB C 49 36.155 35.890 0.265 1
1 572 . 17 1 1 A 51 51 VAL N N 49 116.678 118.577 -1.899 1
1 573 . 17 1 1 A 52 52 CYS H H 50 9.099 8.948 0.151 1
1 574 . 17 1 1 A 52 52 CYS HA H 50 5.308 5.421 -0.113 1
1 577 . 17 1 1 A 52 52 CYS C C 50 174.527 172.858 1.669 1
1 578 . 17 1 1 A 52 52 CYS CA C 50 58.054 54.667 3.387 1
1 579 . 17 1 1 A 52 52 CYS CB C 50 43.375 45.381 -2.006 1
1 580 . 17 1 1 A 52 52 CYS N N 50 124.549 120.784 3.765 1
1 581 . 17 1 1 A 53 53 ILE H H 51 8.479 9.587 -1.108 1
1 582 . 17 1 1 A 53 53 ILE HA H 51 4.974 4.912 0.062 1
1 592 . 17 1 1 A 53 53 ILE C C 51 173.019 175.027 -2.008 1
1 593 . 17 1 1 A 53 53 ILE CA C 51 58.897 59.883 -0.986 1
1 594 . 17 1 1 A 53 53 ILE CB C 51 42.201 41.692 0.509 1
1 598 . 17 1 1 A 53 53 ILE N N 51 122.581 124.855 -2.274 1
1 599 . 17 1 1 A 54 54 ASP H H 52 7.642 8.797 -1.155 1
1 600 . 17 1 1 A 54 54 ASP HA H 52 3.619 4.572 -0.953 1
1 603 . 17 1 1 A 54 54 ASP CA C 52 51.574 51.817 -0.243 1
1 604 . 17 1 1 A 54 54 ASP CB C 52 42.515 41.799 0.716 1
1 605 . 17 1 1 A 54 54 ASP N N 52 125.772 126.583 -0.811 1
1 606 . 17 1 1 A 55 55 PRO HA H 53 4.023 4.396 -0.373 1
1 613 . 17 1 1 A 55 55 PRO C C 53 176.126 176.033 0.093 1
1 614 . 17 1 1 A 55 55 PRO CA C 53 63.993 63.859 0.134 1
1 615 . 17 1 1 A 55 55 PRO CB C 53 33.002 31.734 1.268 1
1 618 . 17 1 1 A 56 56 LYS H H 54 7.930 8.036 -0.106 1
1 619 . 17 1 1 A 56 56 LYS HA H 54 4.000 4.430 -0.430 1
1 628 . 17 1 1 A 56 56 LYS C C 54 177.931 176.884 1.047 1
1 629 . 17 1 1 A 56 56 LYS CA C 54 56.770 55.737 1.033 1
1 630 . 17 1 1 A 56 56 LYS CB C 54 32.023 32.293 -0.270 1
1 634 . 17 1 1 A 56 56 LYS N N 54 112.924 117.721 -4.797 1
1 635 . 17 1 1 A 57 57 LEU H H 55 7.161 7.156 0.005 1
1 636 . 17 1 1 A 57 57 LEU HA H 55 4.065 4.127 -0.062 1
1 646 . 17 1 1 A 57 57 LEU C C 55 179.416 176.520 2.896 1
1 647 . 17 1 1 A 57 57 LEU CA C 55 56.088 55.233 0.855 1
1 648 . 17 1 1 A 57 57 LEU CB C 55 42.397 41.920 0.477 1
1 652 . 17 1 1 A 57 57 LEU N N 55 120.593 120.458 0.135 1
1 653 . 17 1 1 A 58 58 LYS H H 56 8.716 8.233 0.483 1
1 654 . 17 1 1 A 58 58 LYS HA H 56 3.937 4.263 -0.326 1
1 663 . 17 1 1 A 58 58 LYS C C 56 178.937 176.996 1.941 1
1 664 . 17 1 1 A 58 58 LYS CA C 56 60.301 58.187 2.114 1
1 665 . 17 1 1 A 58 58 LYS CB C 56 32.121 32.368 -0.247 1
1 669 . 17 1 1 A 58 58 LYS N N 56 125.479 118.124 7.355 1
1 670 . 17 1 1 A 59 59 TRP H H 57 7.827 8.278 -0.451 1
1 671 . 17 1 1 A 59 59 TRP HA H 57 4.664 4.457 0.207 1
1 680 . 17 1 1 A 59 59 TRP C C 57 178.868 179.308 -0.440 1
1 681 . 17 1 1 A 59 59 TRP CA C 57 58.897 59.969 -1.072 1
1 682 . 17 1 1 A 59 59 TRP CB C 57 28.036 28.165 -0.129 1
1 688 . 17 1 1 A 59 59 TRP N N 57 113.433 119.437 -6.004 1
1 690 . 17 1 1 A 60 60 ILE H H 58 6.458 7.558 -1.100 1
1 691 . 17 1 1 A 60 60 ILE HA H 58 3.325 3.425 -0.100 1
1 701 . 17 1 1 A 60 60 ILE C C 58 177.726 177.887 -0.161 1
1 702 . 17 1 1 A 60 60 ILE CA C 58 64.314 64.733 -0.419 1
1 703 . 17 1 1 A 60 60 ILE CB C 58 35.897 36.849 -0.952 1
1 707 . 17 1 1 A 60 60 ILE N N 58 124.379 122.582 1.797 1
1 708 . 17 1 1 A 61 61 GLN H H 59 7.622 8.168 -0.546 1
1 709 . 17 1 1 A 61 61 GLN HA H 59 3.763 3.919 -0.156 1
1 716 . 17 1 1 A 61 61 GLN C C 59 178.434 179.135 -0.701 1
1 717 . 17 1 1 A 61 61 GLN CA C 59 59.379 59.232 0.147 1
1 718 . 17 1 1 A 61 61 GLN CB C 59 28.602 28.335 0.267 1
1 720 . 17 1 1 A 61 61 GLN N N 59 119.070 118.804 0.266 1
1 722 . 17 1 1 A 62 62 GLU H H 60 8.064 8.346 -0.282 1
1 723 . 17 1 1 A 62 62 GLU HA H 60 4.093 4.106 -0.013 1
1 728 . 17 1 1 A 62 62 GLU C C 60 179.051 178.671 0.380 1
1 729 . 17 1 1 A 62 62 GLU CA C 60 59.659 59.322 0.337 1
1 730 . 17 1 1 A 62 62 GLU CB C 60 30.457 29.632 0.825 1
1 732 . 17 1 1 A 62 62 GLU N N 60 117.166 120.358 -3.192 1
1 733 . 17 1 1 A 63 63 TYR H H 61 7.913 7.928 -0.015 1
1 734 . 17 1 1 A 63 63 TYR HA H 61 4.265 4.321 -0.056 1
1 741 . 17 1 1 A 63 63 TYR C C 61 178.617 177.431 1.186 1
1 742 . 17 1 1 A 63 63 TYR CA C 61 61.184 61.512 -0.328 1
1 743 . 17 1 1 A 63 63 TYR CB C 61 39.461 38.571 0.890 1
1 746 . 17 1 1 A 63 63 TYR N N 61 121.271 122.301 -1.030 1
1 747 . 17 1 1 A 64 64 LEU H H 62 8.252 9.152 -0.900 1
1 748 . 17 1 1 A 64 64 LEU HA H 62 3.977 3.913 0.064 1
1 758 . 17 1 1 A 64 64 LEU C C 62 179.553 179.346 0.207 1
1 759 . 17 1 1 A 64 64 LEU CA C 62 58.014 58.157 -0.143 1
1 760 . 17 1 1 A 64 64 LEU CB C 62 42.397 41.538 0.859 1
1 764 . 17 1 1 A 64 64 LEU N N 62 116.299 120.014 -3.715 1
1 765 . 17 1 1 A 65 65 GLU H H 63 8.453 8.554 -0.101 1
1 766 . 17 1 1 A 65 65 GLU HA H 63 3.853 3.971 -0.118 1
1 771 . 17 1 1 A 65 65 GLU C C 63 179.279 179.450 -0.171 1
1 772 . 17 1 1 A 65 65 GLU CA C 63 60.301 59.631 0.670 1
1 773 . 17 1 1 A 65 65 GLU CB C 63 29.870 29.220 0.650 1
1 775 . 17 1 1 A 65 65 GLU N N 63 118.616 117.681 0.935 1
1 776 . 17 1 1 A 66 66 LYS H H 64 7.571 8.022 -0.451 1
1 777 . 17 1 1 A 66 66 LYS HA H 64 4.225 4.045 0.180 1
1 786 . 17 1 1 A 66 66 LYS C C 64 178.457 179.317 -0.860 1
1 787 . 17 1 1 A 66 66 LYS CA C 64 58.496 59.055 -0.559 1
1 788 . 17 1 1 A 66 66 LYS CB C 64 32.400 32.627 -0.227 1
1 792 . 17 1 1 A 66 66 LYS N N 64 117.166 119.072 -1.906 1
1 793 . 17 1 1 A 67 67 CYS H H 65 7.916 8.202 -0.286 1
1 794 . 17 1 1 A 67 67 CYS HA H 65 4.561 4.064 0.497 1
1 797 . 17 1 1 A 67 67 CYS C C 65 174.893 177.234 -2.341 1
1 798 . 17 1 1 A 67 67 CYS CA C 65 56.329 62.026 -5.697 1
1 799 . 17 1 1 A 67 67 CYS CB C 65 45.235 27.250 17.985 1
1 800 . 17 1 1 A 67 67 CYS N N 65 115.312 118.865 -3.553 1
1 801 . 17 1 1 A 68 68 LEU H H 66 7.556 7.463 0.093 1
1 802 . 17 1 1 A 68 68 LEU HA H 66 4.520 3.967 0.553 1
1 812 . 17 1 1 A 68 68 LEU C C 66 176.812 178.041 -1.229 1
1 813 . 17 1 1 A 68 68 LEU CA C 66 55.366 57.611 -2.245 1
1 814 . 17 1 1 A 68 68 LEU CB C 66 43.278 41.456 1.822 1
1 818 . 17 1 1 A 68 68 LEU N N 66 120.930 122.653 -1.723 1
1 819 . 17 1 1 A 69 69 ASN H H 67 8.266 8.041 0.225 1
1 820 . 17 1 1 A 69 69 ASN HA H 67 4.681 5.007 -0.326 1
1 825 . 17 1 1 A 69 69 ASN CA C 67 53.761 54.693 -0.932 1
1 826 . 17 1 1 A 69 69 ASN CB C 67 39.069 40.698 -1.629 1
1 827 . 17 1 1 A 69 69 ASN N N 67 120.279 115.986 4.293 1
1 852 . 17 2 2 B 4 4 GLU H H 102 8.376 8.751 -0.375 1
1 853 . 17 2 2 B 4 4 GLU HA H 102 4.335 4.737 -0.402 1
1 858 . 17 2 2 B 4 4 GLU C C 102 177.132 176.988 0.144 1
1 859 . 17 2 2 B 4 4 GLU CA C 102 57.410 56.490 0.920 1
1 861 . 17 2 2 B 4 4 GLU N N 102 121.884 124.320 -2.436 1
1 862 . 17 2 2 B 5 5 GLY H H 103 8.380 7.914 0.466 1
1 863 . 17 2 2 B 5 5 GLY HA2 H 103 4.003 4.117 -0.114 1
1 864 . 17 2 2 B 5 5 GLY HA3 H 103 4.003 4.120 -0.117 1
1 865 . 17 2 2 B 5 5 GLY C C 103 174.207 173.017 1.190 1
1 866 . 17 2 2 B 5 5 GLY CA C 103 45.750 45.723 0.027 1
1 867 . 17 2 2 B 5 5 GLY N N 103 110.055 110.239 -0.184 1
1 868 . 17 2 2 B 6 6 ILE H H 104 7.851 8.655 -0.804 1
1 869 . 17 2 2 B 6 6 ILE HA H 104 4.305 3.831 0.474 1
1 879 . 17 2 2 B 6 6 ILE C C 104 176.401 176.259 0.142 1
1 880 . 17 2 2 B 6 6 ILE CA C 104 61.558 61.972 -0.414 1
1 881 . 17 2 2 B 6 6 ILE CB C 104 39.436 36.870 2.566 1
1 885 . 17 2 2 B 6 6 ILE N N 104 119.606 119.952 -0.346 1
1 886 . 17 2 2 B 7 7 SER H H 105 8.369 8.144 0.225 1
1 887 . 17 2 2 B 7 7 SER HA H 105 4.564 4.573 -0.009 1
1 890 . 17 2 2 B 7 7 SER C C 105 174.550 174.214 0.336 1
1 891 . 17 2 2 B 7 7 SER CA C 105 58.667 58.092 0.575 1
1 892 . 17 2 2 B 7 7 SER CB C 105 64.072 62.583 1.489 1
1 893 . 17 2 2 B 7 7 SER N N 105 119.853 120.240 -0.387 1
1 894 . 17 2 2 B 8 8 ILE H H 106 7.953 8.029 -0.076 1
1 895 . 17 2 2 B 8 8 ILE HA H 106 4.224 3.844 0.380 1
1 905 . 17 2 2 B 8 8 ILE C C 106 175.921 175.848 0.073 1
1 906 . 17 2 2 B 8 8 ILE CA C 106 61.935 62.393 -0.458 1
1 907 . 17 2 2 B 8 8 ILE CB C 106 39.436 37.962 1.474 1
1 911 . 17 2 2 B 8 8 ILE N N 106 121.730 121.364 0.366 1
1 912 . 17 2 2 B 9 9 TYR H H 107 8.171 8.615 -0.444 1
1 913 . 17 2 2 B 9 9 TYR HA H 107 4.736 4.596 0.140 1
1 920 . 17 2 2 B 9 9 TYR C C 107 176.058 175.027 1.031 1
1 921 . 17 2 2 B 9 9 TYR CA C 107 58.165 57.974 0.191 1
1 922 . 17 2 2 B 9 9 TYR CB C 107 39.436 38.706 0.730 1
1 925 . 17 2 2 B 9 9 TYR N N 107 123.598 123.196 0.402 1
1 926 . 17 2 2 B 10 10 THR H H 108 7.986 7.912 0.074 1
1 927 . 17 2 2 B 10 10 THR HA H 108 4.452 4.133 0.319 1
1 932 . 17 2 2 B 10 10 THR C C 108 174.459 173.867 0.592 1
1 933 . 17 2 2 B 10 10 THR CA C 108 62.061 63.649 -1.588 1
1 934 . 17 2 2 B 10 10 THR CB C 108 70.608 66.759 3.849 1
1 936 . 17 2 2 B 10 10 THR N N 108 115.642 112.720 2.922 1
1 937 . 17 2 2 B 11 11 SER H H 109 8.193 7.893 0.300 1
1 938 . 17 2 2 B 11 11 SER HA H 109 4.526 4.636 -0.110 1
1 941 . 17 2 2 B 11 11 SER C C 109 174.504 175.278 -0.774 1
1 942 . 17 2 2 B 11 11 SER CA C 109 58.919 56.987 1.932 1
1 943 . 17 2 2 B 11 11 SER CB C 109 64.198 62.724 1.474 1
1 944 . 17 2 2 B 11 11 SER N N 109 117.597 118.049 -0.452 1
1 945 . 17 2 2 B 12 12 ASP H H 110 8.351 8.838 -0.487 1
1 946 . 17 2 2 B 12 12 ASP HA H 110 4.650 4.794 -0.144 1
1 949 . 17 2 2 B 12 12 ASP C C 110 176.058 176.872 -0.814 1
1 950 . 17 2 2 B 12 12 ASP CA C 110 55.022 54.912 0.110 1
1 951 . 17 2 2 B 12 12 ASP CB C 110 41.825 40.968 0.857 1
1 952 . 17 2 2 B 12 12 ASP N N 110 122.020 127.120 -5.100 1
1 953 . 17 2 2 B 13 13 ASN H H 111 8.230 8.053 0.177 1
1 954 . 17 2 2 B 13 13 ASN HA H 111 4.745 4.527 0.218 1
1 957 . 17 2 2 B 13 13 ASN C C 111 175.030 175.809 -0.779 1
1 958 . 17 2 2 B 13 13 ASN CA C 111 53.765 54.020 -0.255 1
1 959 . 17 2 2 B 13 13 ASN CB C 111 39.562 38.109 1.453 1
1 960 . 17 2 2 B 13 13 ASN N N 111 118.317 117.947 0.370 1
1 961 . 17 2 2 B 14 14 TYR H H 112 8.101 8.155 -0.054 1
1 962 . 17 2 2 B 14 14 TYR HA H 112 4.645 4.768 -0.123 1
1 969 . 17 2 2 B 14 14 TYR C C 112 176.081 175.981 0.100 1
1 970 . 17 2 2 B 14 14 TYR CA C 112 58.793 58.425 0.368 1
1 971 . 17 2 2 B 14 14 TYR CB C 112 39.436 40.176 -0.740 1
1 974 . 17 2 2 B 14 14 TYR N N 112 121.125 116.960 4.165 1
1 975 . 17 2 2 B 15 15 THR H H 113 7.900 7.729 0.171 1
1 976 . 17 2 2 B 15 15 THR HA H 113 4.332 4.394 -0.062 1
1 981 . 17 2 2 B 15 15 THR C C 113 174.413 173.691 0.722 1
1 982 . 17 2 2 B 15 15 THR CA C 113 62.187 61.705 0.482 1
1 983 . 17 2 2 B 15 15 THR CB C 113 70.341 66.823 3.518 1
1 985 . 17 2 2 B 15 15 THR N N 113 116.394 115.000 1.394 1
1 986 . 17 2 2 B 16 16 GLU H H 114 8.283 8.313 -0.030 1
1 987 . 17 2 2 B 16 16 GLU HA H 114 4.275 4.817 -0.542 1
1 992 . 17 2 2 B 16 16 GLU C C 114 176.766 175.260 1.506 1
1 993 . 17 2 2 B 16 16 GLU CA C 114 57.410 54.303 3.107 1
1 994 . 17 2 2 B 16 16 GLU CB C 114 30.638 33.804 -3.166 1
1 996 . 17 2 2 B 16 16 GLU N N 114 123.052 122.899 0.153 1
1 997 . 17 2 2 B 17 17 GLU H H 115 8.370 8.584 -0.214 1
1 998 . 17 2 2 B 17 17 GLU HA H 115 4.325 4.223 0.102 1
1 1003 . 17 2 2 B 17 17 GLU C C 115 176.880 176.320 0.560 1
1 1004 . 17 2 2 B 17 17 GLU CA C 115 57.410 57.114 0.296 1
1 1005 . 17 2 2 B 17 17 GLU CB C 115 30.512 30.298 0.214 1
1 1007 . 17 2 2 B 17 17 GLU N N 115 121.688 123.126 -1.438 1
1 1008 . 17 2 2 B 18 18 MET H H 116 8.314 8.600 -0.286 1
1 1009 . 17 2 2 B 18 18 MET HA H 116 4.509 4.309 0.200 1
1 1014 . 17 2 2 B 18 18 MET C C 116 177.086 176.111 0.975 1
1 1015 . 17 2 2 B 18 18 MET CA C 116 56.279 56.712 -0.433 1
1 1016 . 17 2 2 B 18 18 MET CB C 116 33.026 33.194 -0.168 1
1 1017 . 17 2 2 B 18 18 MET N N 116 121.270 124.838 -3.568 1
1 1018 . 17 2 2 B 19 19 GLY H H 117 8.384 8.489 -0.105 1
1 1019 . 17 2 2 B 19 19 GLY HA2 H 117 4.061 4.227 -0.166 1
1 1020 . 17 2 2 B 19 19 GLY HA3 H 117 4.061 4.227 -0.166 1
1 1021 . 17 2 2 B 19 19 GLY C C 117 174.481 172.333 2.148 1
1 1022 . 17 2 2 B 19 19 GLY CA C 117 45.847 45.688 0.159 1
1 1023 . 17 2 2 B 19 19 GLY N N 117 110.055 112.232 -2.177 1
1 1024 . 17 2 2 B 20 20 SER H H 118 8.250 8.936 -0.686 1
1 1025 . 17 2 2 B 20 20 SER HA H 118 4.495 5.284 -0.789 1
1 1028 . 17 2 2 B 20 20 SER C C 118 175.327 173.333 1.994 1
1 1029 . 17 2 2 B 20 20 SER CA C 118 58.919 56.855 2.064 1
1 1030 . 17 2 2 B 20 20 SER CB C 118 64.575 66.397 -1.822 1
1 1031 . 17 2 2 B 20 20 SER N N 118 115.664 116.350 -0.686 1
1 1032 . 17 2 2 B 21 21 GLY H H 119 8.429 8.784 -0.355 1
1 1033 . 17 2 2 B 21 21 GLY HA2 H 119 4.000 4.244 -0.244 1
1 1034 . 17 2 2 B 21 21 GLY HA3 H 119 4.000 4.247 -0.247 1
1 1035 . 17 2 2 B 21 21 GLY C C 119 174.002 172.619 1.383 1
1 1036 . 17 2 2 B 21 21 GLY CA C 119 45.721 44.270 1.451 1
1 1037 . 17 2 2 B 21 21 GLY N N 119 110.872 109.041 1.831 1
1 1038 . 17 2 2 B 22 22 ASP H H 120 8.127 8.730 -0.603 1
1 1039 . 17 2 2 B 22 22 ASP HA H 120 4.634 5.282 -0.648 1
1 1042 . 17 2 2 B 22 22 ASP C C 120 176.355 176.273 0.082 1
1 1043 . 17 2 2 B 22 22 ASP CA C 120 54.771 52.374 2.397 1
1 1044 . 17 2 2 B 22 22 ASP CB C 120 41.699 44.269 -2.570 1
1 1045 . 17 2 2 B 22 22 ASP N N 120 120.530 118.997 1.533 1
1 1046 . 17 2 2 B 23 23 TYR H H 121 8.097 8.890 -0.793 1
1 1047 . 17 2 2 B 23 23 TYR HA H 121 4.555 4.246 0.309 1
1 1054 . 17 2 2 B 23 23 TYR C C 121 176.058 176.303 -0.245 1
1 1055 . 17 2 2 B 23 23 TYR CA C 121 58.667 60.406 -1.739 1
1 1056 . 17 2 2 B 23 23 TYR CB C 121 39.311 39.206 0.105 1
1 1059 . 17 2 2 B 23 23 TYR N N 121 120.584 120.510 0.074 1
1 1060 . 17 2 2 B 24 24 ASP H H 122 8.224 7.674 0.550 1
1 1061 . 17 2 2 B 24 24 ASP HA H 122 4.621 5.001 -0.380 1
1 1064 . 17 2 2 B 24 24 ASP C C 122 176.835 174.459 2.376 1
1 1065 . 17 2 2 B 24 24 ASP CA C 122 55.022 55.786 -0.764 1
1 1066 . 17 2 2 B 24 24 ASP CB C 122 41.825 43.258 -1.433 1
1 1067 . 17 2 2 B 24 24 ASP N N 122 121.815 118.341 3.474 1
1 1068 . 17 2 2 B 25 25 SER H H 123 8.137 7.848 0.289 1
1 1069 . 17 2 2 B 25 25 SER HA H 123 4.394 4.929 -0.535 1
1 1072 . 17 2 2 B 25 25 SER C C 123 175.075 172.550 2.525 1
1 1073 . 17 2 2 B 25 25 SER CA C 123 59.547 57.332 2.215 1
1 1074 . 17 2 2 B 25 25 SER CB C 123 63.540 67.295 -3.755 1
1 1075 . 17 2 2 B 25 25 SER N N 123 116.405 112.243 4.162 1
1 1076 . 17 2 2 B 26 26 MET H H 124 8.221 8.799 -0.578 1
1 1077 . 17 2 2 B 26 26 MET HA H 124 4.500 5.425 -0.925 1
1 1082 . 17 2 2 B 26 26 MET C C 124 176.355 174.437 1.918 1
1 1083 . 17 2 2 B 26 26 MET CA C 124 56.279 53.585 2.694 1
1 1084 . 17 2 2 B 26 26 MET CB C 124 32.900 35.555 -2.655 1
1 1086 . 17 2 2 B 26 26 MET N N 124 121.210 117.803 3.407 1
1 1087 . 17 2 2 B 27 27 LYS H H 125 7.991 8.693 -0.702 1
1 1088 . 17 2 2 B 27 27 LYS HA H 125 4.352 5.053 -0.701 1
1 1097 . 17 2 2 B 27 27 LYS C C 125 176.355 175.684 0.671 1
1 1098 . 17 2 2 B 27 27 LYS CA C 125 56.656 54.601 2.055 1
1 1099 . 17 2 2 B 27 27 LYS CB C 125 33.529 36.457 -2.928 1
1 1103 . 17 2 2 B 27 27 LYS N N 125 121.457 120.920 0.537 1
1 1104 . 17 2 2 B 28 28 GLU H H 126 8.216 8.602 -0.386 1
1 1105 . 17 2 2 B 28 28 GLU N N 126 122.890 122.189 0.701 1
1 1106 . 17 2 2 B 29 29 PRO HA H 127 4.396 4.288 0.108 1
1 1113 . 17 2 2 B 29 29 PRO C C 127 176.812 176.957 -0.145 1
1 1114 . 17 2 2 B 29 29 PRO CA C 127 63.821 62.731 1.090 1
1 1115 . 17 2 2 B 29 29 PRO CB C 127 32.272 30.977 1.295 1
1 1118 . 17 2 2 B 30 30 ALA H H 128 8.282 8.186 0.096 1
1 1119 . 17 2 2 B 30 30 ALA HA H 128 4.316 4.596 -0.280 1
1 1123 . 17 2 2 B 30 30 ALA C C 128 177.589 176.994 0.595 1
1 1124 . 17 2 2 B 30 30 ALA CA C 128 53.192 50.958 2.234 1
1 1125 . 17 2 2 B 30 30 ALA CB C 128 19.703 18.791 0.912 1
1 1126 . 17 2 2 B 30 30 ALA N N 128 123.577 124.958 -1.381 1
1 1127 . 17 2 2 B 31 31 PHE H H 129 8.035 7.851 0.184 1
1 1128 . 17 2 2 B 31 31 PHE HA H 129 4.637 4.106 0.531 1
1 1135 . 17 2 2 B 31 31 PHE C C 129 175.624 174.421 1.203 1
1 1136 . 17 2 2 B 31 31 PHE CA C 129 58.039 59.126 -1.087 1
1 1137 . 17 2 2 B 31 31 PHE CB C 129 40.065 35.845 4.220 1
1 1140 . 17 2 2 B 31 31 PHE N N 129 118.994 114.042 4.952 1
1 1141 . 17 2 2 B 32 32 ARG H H 130 8.066 7.517 0.549 1
1 1142 . 17 2 2 B 32 32 ARG HA H 130 4.351 5.013 -0.662 1
1 1149 . 17 2 2 B 32 32 ARG C C 130 175.875 174.654 1.221 1
1 1150 . 17 2 2 B 32 32 ARG CA C 130 56.154 54.018 2.136 1
1 1151 . 17 2 2 B 32 32 ARG CB C 130 31.643 34.170 -2.527 1
1 1154 . 17 2 2 B 32 32 ARG N N 130 123.094 118.032 5.062 1
1 1155 . 17 2 2 B 33 33 GLU H H 131 8.389 9.032 -0.643 1
1 1156 . 17 2 2 B 33 33 GLU HA H 131 4.295 5.223 -0.928 1
1 1161 . 17 2 2 B 33 33 GLU C C 131 176.766 174.206 2.560 1
1 1162 . 17 2 2 B 33 33 GLU CA C 131 57.285 55.295 1.990 1
1 1163 . 17 2 2 B 33 33 GLU CB C 131 30.512 33.371 -2.859 1
1 1165 . 17 2 2 B 33 33 GLU N N 131 122.719 117.797 4.922 1
1 1166 . 17 2 2 B 34 34 GLU H H 132 8.526 8.793 -0.267 1
1 1167 . 17 2 2 B 34 34 GLU HA H 132 4.321 5.022 -0.701 1
1 1172 . 17 2 2 B 34 34 GLU C C 132 176.560 176.282 0.278 1
1 1173 . 17 2 2 B 34 34 GLU CA C 132 57.400 55.158 2.242 1
1 1174 . 17 2 2 B 34 34 GLU CB C 132 30.512 32.647 -2.135 1
1 1176 . 17 2 2 B 34 34 GLU N N 132 122.122 123.885 -1.763 1
1 1177 . 17 2 2 B 35 35 ASN H H 133 8.379 8.474 -0.095 1
1 1178 . 17 2 2 B 35 35 ASN HA H 133 4.712 4.829 -0.117 1
1 1181 . 17 2 2 B 35 35 ASN C C 133 175.258 176.646 -1.388 1
1 1182 . 17 2 2 B 35 35 ASN CA C 133 53.765 54.478 -0.713 1
1 1183 . 17 2 2 B 35 35 ASN CB C 133 39.562 39.242 0.320 1
1 1184 . 17 2 2 B 35 35 ASN N N 133 119.552 123.661 -4.109 1
1 1185 . 17 2 2 B 36 36 ALA H H 134 8.175 7.962 0.213 1
1 1186 . 17 2 2 B 36 36 ALA HA H 134 4.308 3.968 0.340 1
1 1190 . 17 2 2 B 36 36 ALA C C 134 177.520 177.295 0.225 1
1 1191 . 17 2 2 B 36 36 ALA CA C 134 53.192 55.083 -1.891 1
1 1192 . 17 2 2 B 36 36 ALA CB C 134 19.703 17.069 2.634 1
1 1193 . 17 2 2 B 36 36 ALA N N 134 124.376 118.919 5.457 1
1 1194 . 17 2 2 B 37 37 ASN H H 135 8.238 8.740 -0.502 1
1 1195 . 17 2 2 B 37 37 ASN HA H 135 4.713 4.476 0.237 1
1 1198 . 17 2 2 B 37 37 ASN C C 135 175.144 176.219 -1.075 1
1 1199 . 17 2 2 B 37 37 ASN CA C 135 53.640 56.034 -2.394 1
1 1200 . 17 2 2 B 37 37 ASN CB C 135 39.311 38.841 0.470 1
1 1201 . 17 2 2 B 37 37 ASN N N 135 117.103 116.545 0.558 1
1 1202 . 17 2 2 B 38 38 PHE H H 136 7.997 7.878 0.119 1
1 1203 . 17 2 2 B 38 38 PHE HA H 136 4.678 4.472 0.206 1
1 1210 . 17 2 2 B 38 38 PHE C C 136 175.601 175.206 0.395 1
1 1211 . 17 2 2 B 38 38 PHE CA C 136 58.165 59.498 -1.333 1
1 1212 . 17 2 2 B 38 38 PHE CB C 136 39.939 40.077 -0.138 1
1 1215 . 17 2 2 B 38 38 PHE N N 136 120.229 120.260 -0.031 1
1 1216 . 17 2 2 B 39 39 ASN H H 137 8.272 7.677 0.595 1
1 1217 . 17 2 2 B 39 39 ASN HA H 137 4.752 4.725 0.027 1
1 1220 . 17 2 2 B 39 39 ASN C C 137 174.047 176.934 -2.887 1
1 1221 . 17 2 2 B 39 39 ASN CA C 137 53.891 51.413 2.478 1
1 1222 . 17 2 2 B 39 39 ASN CB C 137 39.688 38.755 0.933 1
1 1223 . 17 2 2 B 39 39 ASN N N 137 120.594 120.163 0.431 1
1 3 . 18 1 1 A 4 4 PRO HA H 2 4.509 4.747 -0.238 1
1 10 . 18 1 1 A 4 4 PRO C C 2 177.132 175.919 1.213 1
1 11 . 18 1 1 A 4 4 PRO CA C 2 63.529 62.540 0.989 1
1 12 . 18 1 1 A 4 4 PRO CB C 2 32.476 30.446 2.030 1
1 15 . 18 1 1 A 5 5 VAL H H 3 8.201 8.021 0.180 1
1 16 . 18 1 1 A 5 5 VAL HA H 3 4.152 5.133 -0.981 1
1 24 . 18 1 1 A 5 5 VAL C C 3 176.423 173.854 2.569 1
1 25 . 18 1 1 A 5 5 VAL CA C 3 62.873 59.265 3.608 1
1 26 . 18 1 1 A 5 5 VAL CB C 3 33.455 35.880 -2.425 1
1 28 . 18 1 1 A 5 5 VAL N N 3 120.488 117.760 2.728 1
1 29 . 18 1 1 A 6 6 SER H H 4 8.276 8.961 -0.685 1
1 30 . 18 1 1 A 6 6 SER HA H 4 4.494 5.417 -0.923 1
1 33 . 18 1 1 A 6 6 SER C C 4 174.687 173.006 1.681 1
1 34 . 18 1 1 A 6 6 SER CA C 4 58.375 56.377 1.998 1
1 35 . 18 1 1 A 6 6 SER CB C 4 64.295 66.611 -2.316 1
1 36 . 18 1 1 A 6 6 SER N N 4 119.000 117.738 1.262 1
1 37 . 18 1 1 A 7 7 LEU H H 5 8.238 8.439 -0.201 1
1 38 . 18 1 1 A 7 7 LEU HA H 5 4.406 5.048 -0.642 1
1 44 . 18 1 1 A 7 7 LEU C C 5 177.406 175.139 2.267 1
1 45 . 18 1 1 A 7 7 LEU CA C 5 55.766 54.140 1.626 1
1 46 . 18 1 1 A 7 7 LEU CB C 5 43.083 43.797 -0.714 1
1 48 . 18 1 1 A 7 7 LEU N N 5 124.704 124.214 0.490 1
1 49 . 18 1 1 A 8 8 SER H H 6 8.148 8.744 -0.596 1
1 50 . 18 1 1 A 8 8 SER HA H 6 4.438 4.848 -0.410 1
1 53 . 18 1 1 A 8 8 SER C C 6 174.321 171.930 2.391 1
1 54 . 18 1 1 A 8 8 SER CA C 6 58.718 57.189 1.529 1
1 55 . 18 1 1 A 8 8 SER CB C 6 64.295 66.031 -1.736 1
1 56 . 18 1 1 A 8 8 SER N N 6 115.960 117.056 -1.096 1
1 57 . 18 1 1 A 9 9 TYR H H 7 7.954 8.720 -0.766 1
1 58 . 18 1 1 A 9 9 TYR HA H 7 4.585 4.766 -0.181 1
1 65 . 18 1 1 A 9 9 TYR C C 7 175.532 174.546 0.986 1
1 66 . 18 1 1 A 9 9 TYR CA C 7 58.335 56.959 1.376 1
1 67 . 18 1 1 A 9 9 TYR CB C 7 39.474 36.953 2.521 1
1 70 . 18 1 1 A 9 9 TYR N N 7 121.884 121.089 0.795 1
1 71 . 18 1 1 A 10 10 ARG H H 8 8.117 8.160 -0.043 1
1 72 . 18 1 1 A 10 10 ARG HA H 8 4.349 4.898 -0.549 1
1 79 . 18 1 1 A 10 10 ARG C C 8 175.898 174.406 1.492 1
1 80 . 18 1 1 A 10 10 ARG CA C 8 56.048 54.211 1.837 1
1 81 . 18 1 1 A 10 10 ARG CB C 8 31.492 33.893 -2.401 1
1 84 . 18 1 1 A 10 10 ARG N N 8 121.977 124.792 -2.815 1
1 85 . 18 1 1 A 11 11 CYS H H 9 8.127 8.721 -0.594 1
1 86 . 18 1 1 A 11 11 CYS HA H 9 5.004 4.980 0.024 1
1 89 . 18 1 1 A 11 11 CYS C C 9 177.771 173.967 3.804 1
1 90 . 18 1 1 A 11 11 CYS CA C 9 53.192 54.982 -1.790 1
1 91 . 18 1 1 A 11 11 CYS CB C 9 40.897 42.591 -1.694 1
1 92 . 18 1 1 A 11 11 CYS N N 9 121.209 122.764 -1.555 1
1 93 . 18 1 1 A 12 12 PRO HA H 10 4.340 4.575 -0.235 1
1 100 . 18 1 1 A 12 12 PRO CA C 10 65.478 63.936 1.542 1
1 101 . 18 1 1 A 12 12 PRO CB C 10 32.904 31.512 1.392 1
1 104 . 18 1 1 A 13 13 CYS H H 11 8.662 8.219 0.443 1
1 105 . 18 1 1 A 13 13 CYS C C 11 174.618 173.682 0.936 1
1 106 . 18 1 1 A 13 13 CYS N N 11 114.595 118.735 -4.140 1
1 107 . 18 1 1 A 14 14 ARG H H 12 8.236 8.956 -0.720 1
1 108 . 18 1 1 A 14 14 ARG HA H 12 4.075 4.100 -0.025 1
1 115 . 18 1 1 A 14 14 ARG C C 12 175.098 175.442 -0.344 1
1 116 . 18 1 1 A 14 14 ARG CA C 12 57.370 57.996 -0.626 1
1 117 . 18 1 1 A 14 14 ARG CB C 12 31.631 31.057 0.574 1
1 120 . 18 1 1 A 14 14 ARG N N 12 122.779 127.463 -4.684 1
1 121 . 18 1 1 A 15 15 PHE H H 13 7.603 7.702 -0.099 1
1 122 . 18 1 1 A 15 15 PHE HA H 13 4.515 5.274 -0.759 1
1 129 . 18 1 1 A 15 15 PHE C C 13 174.162 174.887 -0.725 1
1 130 . 18 1 1 A 15 15 PHE CA C 13 56.289 56.479 -0.190 1
1 131 . 18 1 1 A 15 15 PHE CB C 13 41.320 43.105 -1.785 1
1 134 . 18 1 1 A 15 15 PHE N N 13 116.797 116.103 0.694 1
1 135 . 18 1 1 A 16 16 PHE H H 14 8.112 8.871 -0.759 1
1 136 . 18 1 1 A 16 16 PHE HA H 14 4.783 5.871 -1.088 1
1 143 . 18 1 1 A 16 16 PHE C C 14 175.441 173.729 1.712 1
1 144 . 18 1 1 A 16 16 PHE CA C 14 55.767 55.325 0.442 1
1 145 . 18 1 1 A 16 16 PHE CB C 14 41.320 42.503 -1.183 1
1 148 . 18 1 1 A 16 16 PHE N N 14 118.930 119.344 -0.414 1
1 149 . 18 1 1 A 17 17 GLU H H 15 8.820 9.577 -0.757 1
1 150 . 18 1 1 A 17 17 GLU HA H 15 4.616 4.710 -0.094 1
1 155 . 18 1 1 A 17 17 GLU C C 15 176.857 176.354 0.503 1
1 156 . 18 1 1 A 17 17 GLU CA C 15 56.289 54.990 1.299 1
1 157 . 18 1 1 A 17 17 GLU CB C 15 31.173 31.350 -0.177 1
1 159 . 18 1 1 A 17 17 GLU N N 15 122.825 122.704 0.121 1
1 160 . 18 1 1 A 18 18 SER H H 16 8.746 8.730 0.016 1
1 161 . 18 1 1 A 18 18 SER HA H 16 4.759 4.631 0.128 1
1 164 . 18 1 1 A 18 18 SER C C 16 177.497 174.096 3.401 1
1 165 . 18 1 1 A 18 18 SER CA C 16 59.328 59.807 -0.479 1
1 166 . 18 1 1 A 18 18 SER CB C 16 64.515 63.753 0.762 1
1 167 . 18 1 1 A 18 18 SER N N 16 118.860 120.752 -1.892 1
1 168 . 18 1 1 A 19 19 HIS H H 17 8.761 8.151 0.610 1
1 169 . 18 1 1 A 19 19 HIS HA H 17 4.859 4.746 0.113 1
1 174 . 18 1 1 A 19 19 HIS C C 17 174.618 174.425 0.193 1
1 175 . 18 1 1 A 19 19 HIS CA C 17 56.449 54.862 1.587 1
1 176 . 18 1 1 A 19 19 HIS CB C 17 29.870 27.526 2.344 1
1 179 . 18 1 1 A 19 19 HIS N N 17 120.535 117.647 2.888 1
1 180 . 18 1 1 A 20 20 VAL H H 18 7.211 9.130 -1.919 1
1 181 . 18 1 1 A 20 20 VAL HA H 18 4.160 4.653 -0.493 1
1 189 . 18 1 1 A 20 20 VAL C C 18 174.436 174.637 -0.201 1
1 190 . 18 1 1 A 20 20 VAL CA C 18 62.167 59.972 2.195 1
1 191 . 18 1 1 A 20 20 VAL CB C 18 34.426 33.912 0.514 1
1 193 . 18 1 1 A 20 20 VAL N N 18 120.872 124.263 -3.391 1
1 194 . 18 1 1 A 21 21 ALA H H 19 8.535 8.472 0.063 1
1 195 . 18 1 1 A 21 21 ALA HA H 19 4.402 4.500 -0.098 1
1 199 . 18 1 1 A 21 21 ALA C C 19 177.657 178.286 -0.629 1
1 200 . 18 1 1 A 21 21 ALA CA C 19 51.193 50.702 0.491 1
1 201 . 18 1 1 A 21 21 ALA CB C 19 19.790 20.266 -0.476 1
1 202 . 18 1 1 A 21 21 ALA N N 19 131.339 129.417 1.922 1
1 203 . 18 1 1 A 22 22 ARG H H 20 7.815 8.348 -0.533 1
1 204 . 18 1 1 A 22 22 ARG HA H 20 2.495 3.823 -1.328 1
1 211 . 18 1 1 A 22 22 ARG C C 20 178.365 177.331 1.034 1
1 212 . 18 1 1 A 22 22 ARG CA C 20 59.379 57.845 1.534 1
1 213 . 18 1 1 A 22 22 ARG CB C 20 29.572 28.994 0.578 1
1 216 . 18 1 1 A 22 22 ARG N N 20 124.365 124.008 0.357 1
1 217 . 18 1 1 A 23 23 ALA H H 21 8.135 7.594 0.541 1
1 218 . 18 1 1 A 23 23 ALA HA H 21 4.070 4.122 -0.052 1
1 222 . 18 1 1 A 23 23 ALA C C 21 178.000 178.015 -0.015 1
1 223 . 18 1 1 A 23 23 ALA CA C 21 54.100 53.739 0.361 1
1 224 . 18 1 1 A 23 23 ALA CB C 21 18.713 18.324 0.389 1
1 225 . 18 1 1 A 23 23 ALA N N 21 117.156 123.002 -5.846 1
1 226 . 18 1 1 A 24 24 ASN H H 22 7.712 7.820 -0.108 1
1 227 . 18 1 1 A 24 24 ASN HA H 22 5.008 4.762 0.246 1
1 232 . 18 1 1 A 24 24 ASN C C 22 174.938 174.895 0.043 1
1 233 . 18 1 1 A 24 24 ASN CA C 22 52.869 52.758 0.111 1
1 234 . 18 1 1 A 24 24 ASN CB C 22 40.573 39.096 1.477 1
1 235 . 18 1 1 A 24 24 ASN N N 22 112.819 115.254 -2.435 1
1 237 . 18 1 1 A 25 25 VAL H H 23 7.508 7.192 0.316 1
1 238 . 18 1 1 A 25 25 VAL HA H 23 4.896 4.334 0.562 1
1 246 . 18 1 1 A 25 25 VAL C C 23 175.829 175.362 0.467 1
1 247 . 18 1 1 A 25 25 VAL CA C 23 59.870 60.054 -0.184 1
1 248 . 18 1 1 A 25 25 VAL CB C 23 35.396 33.812 1.584 1
1 251 . 18 1 1 A 25 25 VAL N N 23 119.721 119.458 0.263 1
1 252 . 18 1 1 A 26 26 LYS H H 24 9.483 9.260 0.223 1
1 253 . 18 1 1 A 26 26 LYS HA H 24 4.350 4.247 0.103 1
1 262 . 18 1 1 A 26 26 LYS C C 24 176.606 176.408 0.198 1
1 263 . 18 1 1 A 26 26 LYS CA C 24 58.977 57.264 1.713 1
1 264 . 18 1 1 A 26 26 LYS CB C 24 34.567 32.957 1.610 1
1 268 . 18 1 1 A 26 26 LYS N N 24 128.029 126.194 1.835 1
1 269 . 18 1 1 A 27 27 HIS H H 25 7.223 7.600 -0.377 1
1 270 . 18 1 1 A 27 27 HIS HA H 25 4.979 4.978 0.001 1
1 275 . 18 1 1 A 27 27 HIS C C 25 178.434 172.225 6.209 1
1 276 . 18 1 1 A 27 27 HIS CA C 25 55.406 54.627 0.779 1
1 277 . 18 1 1 A 27 27 HIS CB C 25 32.904 31.326 1.578 1
1 280 . 18 1 1 A 27 27 HIS N N 25 109.556 114.059 -4.503 1
1 281 . 18 1 1 A 28 28 LEU H H 26 8.149 8.917 -0.768 1
1 282 . 18 1 1 A 28 28 LEU HA H 26 5.190 5.257 -0.067 1
1 292 . 18 1 1 A 28 28 LEU C C 26 175.510 174.282 1.228 1
1 293 . 18 1 1 A 28 28 LEU CA C 26 53.480 53.602 -0.122 1
1 294 . 18 1 1 A 28 28 LEU CB C 26 45.235 45.236 -0.001 1
1 298 . 18 1 1 A 28 28 LEU N N 26 117.106 121.638 -4.532 1
1 299 . 18 1 1 A 29 29 LYS H H 27 9.578 9.456 0.122 1
1 300 . 18 1 1 A 29 29 LYS HA H 27 5.385 4.952 0.433 1
1 309 . 18 1 1 A 29 29 LYS C C 27 174.801 174.895 -0.094 1
1 310 . 18 1 1 A 29 29 LYS CA C 27 55.165 54.675 0.490 1
1 311 . 18 1 1 A 29 29 LYS CB C 27 35.253 34.844 0.409 1
1 315 . 18 1 1 A 29 29 LYS N N 27 123.488 126.427 -2.939 1
1 316 . 18 1 1 A 30 30 ILE H H 28 9.133 9.005 0.128 1
1 317 . 18 1 1 A 30 30 ILE HA H 28 4.925 4.875 0.050 1
1 327 . 18 1 1 A 30 30 ILE C C 28 176.949 175.068 1.881 1
1 328 . 18 1 1 A 30 30 ILE CA C 28 60.542 59.684 0.858 1
1 329 . 18 1 1 A 30 30 ILE CB C 28 39.600 39.252 0.348 1
1 333 . 18 1 1 A 30 30 ILE N N 28 123.846 127.704 -3.858 1
1 334 . 18 1 1 A 31 31 LEU H H 29 8.830 8.711 0.119 1
1 335 . 18 1 1 A 31 31 LEU HA H 29 4.533 4.736 -0.203 1
1 344 . 18 1 1 A 31 31 LEU C C 29 176.012 174.413 1.599 1
1 345 . 18 1 1 A 31 31 LEU CA C 29 55.406 54.479 0.927 1
1 346 . 18 1 1 A 31 31 LEU CB C 29 43.180 44.080 -0.900 1
1 349 . 18 1 1 A 31 31 LEU N N 29 128.649 128.173 0.476 1
1 350 . 18 1 1 A 32 32 ASN H H 30 8.211 8.911 -0.700 1
1 351 . 18 1 1 A 32 32 ASN HA H 30 5.014 5.082 -0.068 1
1 356 . 18 1 1 A 32 32 ASN C C 30 174.664 174.679 -0.015 1
1 357 . 18 1 1 A 32 32 ASN CA C 30 52.517 52.313 0.204 1
1 358 . 18 1 1 A 32 32 ASN CB C 30 38.776 39.576 -0.800 1
1 359 . 18 1 1 A 32 32 ASN N N 30 120.791 126.881 -6.090 1
1 361 . 18 1 1 A 33 33 THR H H 31 7.896 8.680 -0.784 1
1 362 . 18 1 1 A 33 33 THR HA H 31 4.842 4.888 -0.046 1
1 367 . 18 1 1 A 33 33 THR CA C 31 58.369 59.060 -0.691 1
1 368 . 18 1 1 A 33 33 THR CB C 31 70.011 69.576 0.435 1
1 370 . 18 1 1 A 33 33 THR N N 31 115.811 117.192 -1.381 1
1 371 . 18 1 1 A 34 34 PRO HA H 32 4.317 4.296 0.021 1
1 378 . 18 1 1 A 34 34 PRO CA C 32 65.164 63.888 1.276 1
1 379 . 18 1 1 A 34 34 PRO CB C 32 32.484 31.831 0.653 1
1 382 . 18 1 1 A 35 35 ASN H H 33 8.256 8.959 -0.703 1
1 383 . 18 1 1 A 35 35 ASN HA H 33 4.651 4.466 0.185 1
1 388 . 18 1 1 A 35 35 ASN C C 33 174.710 174.221 0.489 1
1 389 . 18 1 1 A 35 35 ASN CA C 33 54.532 54.738 -0.206 1
1 390 . 18 1 1 A 35 35 ASN CB C 33 39.167 37.836 1.331 1
1 391 . 18 1 1 A 35 35 ASN N N 33 120.081 119.372 0.709 1
1 393 . 18 1 1 A 36 36 CYS H H 34 7.548 7.530 0.018 1
1 394 . 18 1 1 A 36 36 CYS HA H 34 4.693 4.966 -0.273 1
1 397 . 18 1 1 A 36 36 CYS C C 34 173.865 172.764 1.101 1
1 398 . 18 1 1 A 36 36 CYS CA C 34 55.447 54.385 1.062 1
1 399 . 18 1 1 A 36 36 CYS CB C 34 45.228 46.056 -0.828 1
1 400 . 18 1 1 A 36 36 CYS N N 34 117.076 117.265 -0.189 1
1 401 . 18 1 1 A 37 37 ALA H H 35 8.469 8.478 -0.009 1
1 402 . 18 1 1 A 37 37 ALA HA H 35 4.252 4.344 -0.092 1
1 406 . 18 1 1 A 37 37 ALA C C 35 176.423 177.242 -0.819 1
1 407 . 18 1 1 A 37 37 ALA CA C 35 53.537 51.886 1.651 1
1 408 . 18 1 1 A 37 37 ALA CB C 35 19.202 19.999 -0.797 1
1 409 . 18 1 1 A 37 37 ALA N N 35 125.153 125.855 -0.702 1
1 410 . 18 1 1 A 38 38 CYS H H 36 8.315 8.421 -0.106 1
1 411 . 18 1 1 A 38 38 CYS HA H 36 4.211 4.539 -0.328 1
1 414 . 18 1 1 A 38 38 CYS C C 36 173.705 173.674 0.031 1
1 415 . 18 1 1 A 38 38 CYS CA C 36 58.616 60.063 -1.447 1
1 416 . 18 1 1 A 38 38 CYS CB C 36 45.705 27.793 17.912 1
1 417 . 18 1 1 A 38 38 CYS N N 36 118.837 118.921 -0.084 1
1 418 . 18 1 1 A 39 39 GLN H H 37 8.926 8.609 0.317 1
1 419 . 18 1 1 A 39 39 GLN HA H 37 4.609 4.983 -0.374 1
1 426 . 18 1 1 A 39 39 GLN C C 37 173.636 174.203 -0.567 1
1 427 . 18 1 1 A 39 39 GLN CA C 37 54.603 54.391 0.212 1
1 428 . 18 1 1 A 39 39 GLN CB C 37 31.761 32.153 -0.392 1
1 430 . 18 1 1 A 39 39 GLN N N 37 128.567 126.078 2.489 1
1 432 . 18 1 1 A 40 40 ILE H H 38 8.874 8.920 -0.046 1
1 433 . 18 1 1 A 40 40 ILE HA H 38 5.093 5.140 -0.047 1
1 443 . 18 1 1 A 40 40 ILE C C 38 174.390 174.941 -0.551 1
1 444 . 18 1 1 A 40 40 ILE CA C 38 60.582 59.886 0.696 1
1 445 . 18 1 1 A 40 40 ILE CB C 38 40.048 41.126 -1.078 1
1 449 . 18 1 1 A 40 40 ILE N N 38 123.962 125.750 -1.788 1
1 450 . 18 1 1 A 41 41 VAL H H 39 9.120 9.518 -0.398 1
1 451 . 18 1 1 A 41 41 VAL HA H 39 4.905 4.928 -0.023 1
1 459 . 18 1 1 A 41 41 VAL C C 39 175.487 174.358 1.129 1
1 460 . 18 1 1 A 41 41 VAL CA C 39 59.980 60.776 -0.796 1
1 461 . 18 1 1 A 41 41 VAL CB C 39 35.868 34.381 1.487 1
1 464 . 18 1 1 A 41 41 VAL N N 39 126.354 127.130 -0.776 1
1 465 . 18 1 1 A 42 42 ALA H H 40 9.513 9.632 -0.119 1
1 466 . 18 1 1 A 42 42 ALA HA H 40 5.154 5.400 -0.246 1
1 470 . 18 1 1 A 42 42 ALA C C 40 175.944 175.174 0.770 1
1 471 . 18 1 1 A 42 42 ALA CA C 40 50.591 50.094 0.497 1
1 472 . 18 1 1 A 42 42 ALA CB C 40 22.432 21.521 0.911 1
1 473 . 18 1 1 A 42 42 ALA N N 40 128.406 129.227 -0.821 1
1 474 . 18 1 1 A 43 43 ARG H H 41 7.706 8.490 -0.784 1
1 475 . 18 1 1 A 43 43 ARG HA H 41 4.978 4.860 0.118 1
1 482 . 18 1 1 A 43 43 ARG C C 41 175.510 176.030 -0.520 1
1 483 . 18 1 1 A 43 43 ARG CA C 41 54.162 55.022 -0.860 1
1 484 . 18 1 1 A 43 43 ARG CB C 41 31.200 32.374 -1.174 1
1 487 . 18 1 1 A 43 43 ARG N N 41 121.663 124.173 -2.510 1
1 488 . 18 1 1 A 44 44 LEU H H 42 9.164 8.486 0.678 1
1 489 . 18 1 1 A 44 44 LEU HA H 42 5.023 4.852 0.171 1
1 499 . 18 1 1 A 44 44 LEU C C 42 177.840 178.494 -0.654 1
1 500 . 18 1 1 A 44 44 LEU CA C 42 54.724 54.518 0.206 1
1 501 . 18 1 1 A 44 44 LEU CB C 42 41.712 42.558 -0.846 1
1 505 . 18 1 1 A 44 44 LEU N N 42 129.087 127.513 1.574 1
1 506 . 18 1 1 A 45 45 LYS H H 43 8.414 8.210 0.204 1
1 507 . 18 1 1 A 45 45 LYS HA H 43 3.954 4.029 -0.075 1
1 516 . 18 1 1 A 45 45 LYS CA C 43 59.016 58.321 0.695 1
1 517 . 18 1 1 A 45 45 LYS CB C 43 34.102 33.011 1.091 1
1 520 . 18 1 1 A 45 45 LYS N N 43 119.674 120.700 -1.026 1
1 521 . 18 1 1 A 48 48 ASN HA H 46 4.723 4.606 0.117 1
1 526 . 18 1 1 A 48 48 ASN C C 46 175.098 174.847 0.251 1
1 527 . 18 1 1 A 48 48 ASN CA C 46 54.764 55.121 -0.357 1
1 528 . 18 1 1 A 48 48 ASN CB C 46 39.265 38.652 0.613 1
1 530 . 18 1 1 A 49 49 ARG H H 47 7.914 7.655 0.259 1
1 531 . 18 1 1 A 49 49 ARG HA H 47 4.352 4.658 -0.306 1
1 538 . 18 1 1 A 49 49 ARG C C 47 175.601 173.943 1.658 1
1 539 . 18 1 1 A 49 49 ARG CA C 47 57.051 54.788 2.263 1
1 540 . 18 1 1 A 49 49 ARG CB C 47 32.121 31.988 0.133 1
1 543 . 18 1 1 A 49 49 ARG N N 47 119.826 113.896 5.930 1
1 544 . 18 1 1 A 50 50 GLN H H 48 8.542 8.429 0.113 1
1 545 . 18 1 1 A 50 50 GLN HA H 48 5.495 4.903 0.592 1
1 552 . 18 1 1 A 50 50 GLN C C 48 175.578 175.347 0.231 1
1 553 . 18 1 1 A 50 50 GLN CA C 48 55.125 54.973 0.152 1
1 554 . 18 1 1 A 50 50 GLN CB C 48 32.121 30.235 1.886 1
1 556 . 18 1 1 A 50 50 GLN N N 48 120.767 119.063 1.704 1
1 558 . 18 1 1 A 51 51 VAL H H 49 8.649 9.238 -0.589 1
1 559 . 18 1 1 A 51 51 VAL HA H 49 4.833 4.873 -0.040 1
1 567 . 18 1 1 A 51 51 VAL C C 49 175.258 174.905 0.353 1
1 568 . 18 1 1 A 51 51 VAL CA C 49 59.338 59.725 -0.387 1
1 569 . 18 1 1 A 51 51 VAL CB C 49 36.155 34.215 1.940 1
1 572 . 18 1 1 A 51 51 VAL N N 49 116.678 117.629 -0.951 1
1 573 . 18 1 1 A 52 52 CYS H H 50 9.099 8.761 0.338 1
1 574 . 18 1 1 A 52 52 CYS HA H 50 5.308 5.287 0.021 1
1 577 . 18 1 1 A 52 52 CYS C C 50 174.527 172.678 1.849 1
1 578 . 18 1 1 A 52 52 CYS CA C 50 58.054 54.767 3.287 1
1 579 . 18 1 1 A 52 52 CYS CB C 50 43.375 44.559 -1.184 1
1 580 . 18 1 1 A 52 52 CYS N N 50 124.549 119.800 4.749 1
1 581 . 18 1 1 A 53 53 ILE H H 51 8.479 9.268 -0.789 1
1 582 . 18 1 1 A 53 53 ILE HA H 51 4.974 5.031 -0.057 1
1 592 . 18 1 1 A 53 53 ILE C C 51 173.019 174.923 -1.904 1
1 593 . 18 1 1 A 53 53 ILE CA C 51 58.897 59.809 -0.912 1
1 594 . 18 1 1 A 53 53 ILE CB C 51 42.201 41.705 0.496 1
1 598 . 18 1 1 A 53 53 ILE N N 51 122.581 124.006 -1.425 1
1 599 . 18 1 1 A 54 54 ASP H H 52 7.642 8.457 -0.815 1
1 600 . 18 1 1 A 54 54 ASP HA H 52 3.619 4.694 -1.075 1
1 603 . 18 1 1 A 54 54 ASP CA C 52 51.574 51.808 -0.234 1
1 604 . 18 1 1 A 54 54 ASP CB C 52 42.515 42.065 0.450 1
1 605 . 18 1 1 A 54 54 ASP N N 52 125.772 126.278 -0.506 1
1 606 . 18 1 1 A 55 55 PRO HA H 53 4.023 4.410 -0.387 1
1 613 . 18 1 1 A 55 55 PRO C C 53 176.126 176.143 -0.017 1
1 614 . 18 1 1 A 55 55 PRO CA C 53 63.993 64.095 -0.102 1
1 615 . 18 1 1 A 55 55 PRO CB C 53 33.002 31.540 1.462 1
1 618 . 18 1 1 A 56 56 LYS H H 54 7.930 7.958 -0.028 1
1 619 . 18 1 1 A 56 56 LYS HA H 54 4.000 4.402 -0.402 1
1 628 . 18 1 1 A 56 56 LYS C C 54 177.931 176.076 1.855 1
1 629 . 18 1 1 A 56 56 LYS CA C 54 56.770 55.740 1.030 1
1 630 . 18 1 1 A 56 56 LYS CB C 54 32.023 33.126 -1.103 1
1 634 . 18 1 1 A 56 56 LYS N N 54 112.924 116.321 -3.397 1
1 635 . 18 1 1 A 57 57 LEU H H 55 7.161 6.820 0.341 1
1 636 . 18 1 1 A 57 57 LEU HA H 55 4.065 4.130 -0.065 1
1 646 . 18 1 1 A 57 57 LEU C C 55 179.416 177.817 1.599 1
1 647 . 18 1 1 A 57 57 LEU CA C 55 56.088 55.086 1.002 1
1 648 . 18 1 1 A 57 57 LEU CB C 55 42.397 41.743 0.654 1
1 652 . 18 1 1 A 57 57 LEU N N 55 120.593 121.429 -0.836 1
1 653 . 18 1 1 A 58 58 LYS H H 56 8.716 8.931 -0.215 1
1 654 . 18 1 1 A 58 58 LYS HA H 56 3.937 3.856 0.081 1
1 663 . 18 1 1 A 58 58 LYS C C 56 178.937 178.210 0.727 1
1 664 . 18 1 1 A 58 58 LYS CA C 56 60.301 59.855 0.446 1
1 665 . 18 1 1 A 58 58 LYS CB C 56 32.121 32.255 -0.134 1
1 669 . 18 1 1 A 58 58 LYS N N 56 125.479 124.147 1.332 1
1 670 . 18 1 1 A 59 59 TRP H H 57 7.827 8.407 -0.580 1
1 671 . 18 1 1 A 59 59 TRP HA H 57 4.664 4.519 0.145 1
1 680 . 18 1 1 A 59 59 TRP C C 57 178.868 179.488 -0.620 1
1 681 . 18 1 1 A 59 59 TRP CA C 57 58.897 59.889 -0.992 1
1 682 . 18 1 1 A 59 59 TRP CB C 57 28.036 28.200 -0.164 1
1 688 . 18 1 1 A 59 59 TRP N N 57 113.433 119.170 -5.737 1
1 690 . 18 1 1 A 60 60 ILE H H 58 6.458 7.471 -1.013 1
1 691 . 18 1 1 A 60 60 ILE HA H 58 3.325 3.421 -0.096 1
1 701 . 18 1 1 A 60 60 ILE C C 58 177.726 177.703 0.023 1
1 702 . 18 1 1 A 60 60 ILE CA C 58 64.314 64.443 -0.129 1
1 703 . 18 1 1 A 60 60 ILE CB C 58 35.897 36.115 -0.218 1
1 707 . 18 1 1 A 60 60 ILE N N 58 124.379 122.495 1.884 1
1 708 . 18 1 1 A 61 61 GLN H H 59 7.622 8.729 -1.107 1
1 709 . 18 1 1 A 61 61 GLN HA H 59 3.763 3.887 -0.124 1
1 716 . 18 1 1 A 61 61 GLN C C 59 178.434 179.176 -0.742 1
1 717 . 18 1 1 A 61 61 GLN CA C 59 59.379 59.318 0.061 1
1 718 . 18 1 1 A 61 61 GLN CB C 59 28.602 28.474 0.128 1
1 720 . 18 1 1 A 61 61 GLN N N 59 119.070 119.310 -0.240 1
1 722 . 18 1 1 A 62 62 GLU H H 60 8.064 8.003 0.061 1
1 723 . 18 1 1 A 62 62 GLU HA H 60 4.093 4.095 -0.002 1
1 728 . 18 1 1 A 62 62 GLU C C 60 179.051 178.619 0.432 1
1 729 . 18 1 1 A 62 62 GLU CA C 60 59.659 59.244 0.415 1
1 730 . 18 1 1 A 62 62 GLU CB C 60 30.457 29.766 0.691 1
1 732 . 18 1 1 A 62 62 GLU N N 60 117.166 120.612 -3.446 1
1 733 . 18 1 1 A 63 63 TYR H H 61 7.913 8.093 -0.180 1
1 734 . 18 1 1 A 63 63 TYR HA H 61 4.265 4.268 -0.003 1
1 741 . 18 1 1 A 63 63 TYR C C 61 178.617 177.419 1.198 1
1 742 . 18 1 1 A 63 63 TYR CA C 61 61.184 61.535 -0.351 1
1 743 . 18 1 1 A 63 63 TYR CB C 61 39.461 38.487 0.974 1
1 746 . 18 1 1 A 63 63 TYR N N 61 121.271 122.317 -1.046 1
1 747 . 18 1 1 A 64 64 LEU H H 62 8.252 9.153 -0.901 1
1 748 . 18 1 1 A 64 64 LEU HA H 62 3.977 3.969 0.008 1
1 758 . 18 1 1 A 64 64 LEU C C 62 179.553 179.433 0.120 1
1 759 . 18 1 1 A 64 64 LEU CA C 62 58.014 58.160 -0.146 1
1 760 . 18 1 1 A 64 64 LEU CB C 62 42.397 41.505 0.892 1
1 764 . 18 1 1 A 64 64 LEU N N 62 116.299 120.274 -3.975 1
1 765 . 18 1 1 A 65 65 GLU H H 63 8.453 8.691 -0.238 1
1 766 . 18 1 1 A 65 65 GLU HA H 63 3.853 4.039 -0.186 1
1 771 . 18 1 1 A 65 65 GLU C C 63 179.279 178.578 0.701 1
1 772 . 18 1 1 A 65 65 GLU CA C 63 60.301 59.397 0.904 1
1 773 . 18 1 1 A 65 65 GLU CB C 63 29.870 29.335 0.535 1
1 775 . 18 1 1 A 65 65 GLU N N 63 118.616 117.683 0.933 1
1 776 . 18 1 1 A 66 66 LYS H H 64 7.571 8.061 -0.490 1
1 777 . 18 1 1 A 66 66 LYS HA H 64 4.225 4.179 0.046 1
1 786 . 18 1 1 A 66 66 LYS C C 64 178.457 179.072 -0.615 1
1 787 . 18 1 1 A 66 66 LYS CA C 64 58.496 58.236 0.260 1
1 788 . 18 1 1 A 66 66 LYS CB C 64 32.400 32.709 -0.309 1
1 792 . 18 1 1 A 66 66 LYS N N 64 117.166 118.017 -0.851 1
1 793 . 18 1 1 A 67 67 CYS H H 65 7.916 8.210 -0.294 1
1 794 . 18 1 1 A 67 67 CYS HA H 65 4.561 4.278 0.283 1
1 797 . 18 1 1 A 67 67 CYS C C 65 174.893 176.533 -1.640 1
1 798 . 18 1 1 A 67 67 CYS CA C 65 56.329 60.936 -4.607 1
1 799 . 18 1 1 A 67 67 CYS CB C 65 45.235 26.951 18.284 1
1 800 . 18 1 1 A 67 67 CYS N N 65 115.312 118.936 -3.624 1
1 801 . 18 1 1 A 68 68 LEU H H 66 7.556 7.656 -0.100 1
1 802 . 18 1 1 A 68 68 LEU HA H 66 4.520 3.989 0.531 1
1 812 . 18 1 1 A 68 68 LEU C C 66 176.812 178.455 -1.643 1
1 813 . 18 1 1 A 68 68 LEU CA C 66 55.366 58.017 -2.651 1
1 814 . 18 1 1 A 68 68 LEU CB C 66 43.278 41.411 1.867 1
1 818 . 18 1 1 A 68 68 LEU N N 66 120.930 122.294 -1.364 1
1 819 . 18 1 1 A 69 69 ASN H H 67 8.266 7.446 0.820 1
1 820 . 18 1 1 A 69 69 ASN HA H 67 4.681 4.809 -0.128 1
1 825 . 18 1 1 A 69 69 ASN CA C 67 53.761 54.151 -0.390 1
1 826 . 18 1 1 A 69 69 ASN CB C 67 39.069 40.842 -1.773 1
1 827 . 18 1 1 A 69 69 ASN N N 67 120.279 114.401 5.878 1
1 852 . 18 2 2 B 4 4 GLU H H 102 8.376 8.294 0.082 1
1 853 . 18 2 2 B 4 4 GLU HA H 102 4.335 4.003 0.332 1
1 858 . 18 2 2 B 4 4 GLU C C 102 177.132 178.212 -1.080 1
1 859 . 18 2 2 B 4 4 GLU CA C 102 57.410 59.559 -2.149 1
1 861 . 18 2 2 B 4 4 GLU N N 102 121.884 119.934 1.950 1
1 862 . 18 2 2 B 5 5 GLY H H 103 8.380 8.154 0.226 1
1 863 . 18 2 2 B 5 5 GLY HA2 H 103 4.003 3.892 0.111 1
1 864 . 18 2 2 B 5 5 GLY HA3 H 103 4.003 3.892 0.111 1
1 865 . 18 2 2 B 5 5 GLY C C 103 174.207 173.127 1.080 1
1 866 . 18 2 2 B 5 5 GLY CA C 103 45.750 45.834 -0.084 1
1 867 . 18 2 2 B 5 5 GLY N N 103 110.055 106.713 3.342 1
1 868 . 18 2 2 B 6 6 ILE H H 104 7.851 8.619 -0.768 1
1 869 . 18 2 2 B 6 6 ILE HA H 104 4.305 4.753 -0.448 1
1 879 . 18 2 2 B 6 6 ILE C C 104 176.401 174.915 1.486 1
1 880 . 18 2 2 B 6 6 ILE CA C 104 61.558 60.434 1.124 1
1 881 . 18 2 2 B 6 6 ILE CB C 104 39.436 39.544 -0.108 1
1 885 . 18 2 2 B 6 6 ILE N N 104 119.606 126.001 -6.395 1
1 886 . 18 2 2 B 7 7 SER H H 105 8.369 8.621 -0.252 1
1 887 . 18 2 2 B 7 7 SER HA H 105 4.564 4.897 -0.333 1
1 890 . 18 2 2 B 7 7 SER C C 105 174.550 172.420 2.130 1
1 891 . 18 2 2 B 7 7 SER CA C 105 58.667 57.319 1.348 1
1 892 . 18 2 2 B 7 7 SER CB C 105 64.072 64.618 -0.546 1
1 893 . 18 2 2 B 7 7 SER N N 105 119.853 121.096 -1.243 1
1 894 . 18 2 2 B 8 8 ILE H H 106 7.953 8.730 -0.777 1
1 895 . 18 2 2 B 8 8 ILE HA H 106 4.224 4.627 -0.403 1
1 905 . 18 2 2 B 8 8 ILE C C 106 175.921 175.215 0.706 1
1 906 . 18 2 2 B 8 8 ILE CA C 106 61.935 59.001 2.934 1
1 907 . 18 2 2 B 8 8 ILE CB C 106 39.436 40.384 -0.948 1
1 911 . 18 2 2 B 8 8 ILE N N 106 121.730 123.418 -1.688 1
1 912 . 18 2 2 B 9 9 TYR H H 107 8.171 8.248 -0.077 1
1 913 . 18 2 2 B 9 9 TYR HA H 107 4.736 4.793 -0.057 1
1 920 . 18 2 2 B 9 9 TYR C C 107 176.058 175.377 0.681 1
1 921 . 18 2 2 B 9 9 TYR CA C 107 58.165 57.849 0.316 1
1 922 . 18 2 2 B 9 9 TYR CB C 107 39.436 39.240 0.196 1
1 925 . 18 2 2 B 9 9 TYR N N 107 123.598 121.632 1.966 1
1 926 . 18 2 2 B 10 10 THR H H 108 7.986 8.880 -0.894 1
1 927 . 18 2 2 B 10 10 THR HA H 108 4.452 4.657 -0.205 1
1 932 . 18 2 2 B 10 10 THR C C 108 174.459 173.087 1.372 1
1 933 . 18 2 2 B 10 10 THR CA C 108 62.061 60.537 1.524 1
1 934 . 18 2 2 B 10 10 THR CB C 108 70.608 68.025 2.583 1
1 936 . 18 2 2 B 10 10 THR N N 108 115.642 118.836 -3.194 1
1 937 . 18 2 2 B 11 11 SER H H 109 8.193 8.350 -0.157 1
1 938 . 18 2 2 B 11 11 SER HA H 109 4.526 5.081 -0.555 1
1 941 . 18 2 2 B 11 11 SER C C 109 174.504 172.636 1.868 1
1 942 . 18 2 2 B 11 11 SER CA C 109 58.919 57.083 1.836 1
1 943 . 18 2 2 B 11 11 SER CB C 109 64.198 65.061 -0.863 1
1 944 . 18 2 2 B 11 11 SER N N 109 117.597 121.719 -4.122 1
1 945 . 18 2 2 B 12 12 ASP H H 110 8.351 8.727 -0.376 1
1 946 . 18 2 2 B 12 12 ASP HA H 110 4.650 4.970 -0.320 1
1 949 . 18 2 2 B 12 12 ASP C C 110 176.058 175.564 0.494 1
1 950 . 18 2 2 B 12 12 ASP CA C 110 55.022 53.319 1.703 1
1 951 . 18 2 2 B 12 12 ASP CB C 110 41.825 42.275 -0.450 1
1 952 . 18 2 2 B 12 12 ASP N N 110 122.020 125.293 -3.273 1
1 953 . 18 2 2 B 13 13 ASN H H 111 8.230 7.381 0.849 1
1 954 . 18 2 2 B 13 13 ASN HA H 111 4.745 5.122 -0.377 1
1 957 . 18 2 2 B 13 13 ASN C C 111 175.030 174.561 0.469 1
1 958 . 18 2 2 B 13 13 ASN CA C 111 53.765 52.750 1.015 1
1 959 . 18 2 2 B 13 13 ASN CB C 111 39.562 38.102 1.460 1
1 960 . 18 2 2 B 13 13 ASN N N 111 118.317 119.344 -1.027 1
1 961 . 18 2 2 B 14 14 TYR H H 112 8.101 8.893 -0.792 1
1 962 . 18 2 2 B 14 14 TYR HA H 112 4.645 4.664 -0.019 1
1 969 . 18 2 2 B 14 14 TYR C C 112 176.081 175.324 0.757 1
1 970 . 18 2 2 B 14 14 TYR CA C 112 58.793 59.001 -0.208 1
1 971 . 18 2 2 B 14 14 TYR CB C 112 39.436 39.218 0.218 1
1 974 . 18 2 2 B 14 14 TYR N N 112 121.125 123.386 -2.261 1
1 975 . 18 2 2 B 15 15 THR H H 113 7.900 8.270 -0.370 1
1 976 . 18 2 2 B 15 15 THR HA H 113 4.332 4.039 0.293 1
1 981 . 18 2 2 B 15 15 THR C C 113 174.413 174.217 0.196 1
1 982 . 18 2 2 B 15 15 THR CA C 113 62.187 62.167 0.020 1
1 983 . 18 2 2 B 15 15 THR CB C 113 70.341 67.421 2.920 1
1 985 . 18 2 2 B 15 15 THR N N 113 116.394 114.709 1.685 1
1 986 . 18 2 2 B 16 16 GLU H H 114 8.283 8.406 -0.123 1
1 987 . 18 2 2 B 16 16 GLU HA H 114 4.275 4.232 0.043 1
1 992 . 18 2 2 B 16 16 GLU C C 114 176.766 175.961 0.805 1
1 993 . 18 2 2 B 16 16 GLU CA C 114 57.410 57.509 -0.099 1
1 994 . 18 2 2 B 16 16 GLU CB C 114 30.638 29.725 0.913 1
1 996 . 18 2 2 B 16 16 GLU N N 114 123.052 127.336 -4.284 1
1 997 . 18 2 2 B 17 17 GLU H H 115 8.370 7.694 0.676 1
1 998 . 18 2 2 B 17 17 GLU HA H 115 4.325 4.814 -0.489 1
1 1003 . 18 2 2 B 17 17 GLU C C 115 176.880 174.343 2.537 1
1 1004 . 18 2 2 B 17 17 GLU CA C 115 57.410 54.883 2.527 1
1 1005 . 18 2 2 B 17 17 GLU CB C 115 30.512 33.821 -3.309 1
1 1007 . 18 2 2 B 17 17 GLU N N 115 121.688 115.965 5.723 1
1 1008 . 18 2 2 B 18 18 MET H H 116 8.314 8.816 -0.502 1
1 1009 . 18 2 2 B 18 18 MET HA H 116 4.509 5.337 -0.828 1
1 1014 . 18 2 2 B 18 18 MET C C 116 177.086 175.148 1.938 1
1 1015 . 18 2 2 B 18 18 MET CA C 116 56.279 53.331 2.948 1
1 1016 . 18 2 2 B 18 18 MET CB C 116 33.026 36.092 -3.066 1
1 1017 . 18 2 2 B 18 18 MET N N 116 121.270 117.348 3.922 1
1 1018 . 18 2 2 B 19 19 GLY H H 117 8.384 8.386 -0.002 1
1 1019 . 18 2 2 B 19 19 GLY HA2 H 117 4.061 4.293 -0.232 1
1 1020 . 18 2 2 B 19 19 GLY HA3 H 117 4.061 4.294 -0.233 1
1 1021 . 18 2 2 B 19 19 GLY C C 117 174.481 173.196 1.285 1
1 1022 . 18 2 2 B 19 19 GLY CA C 117 45.847 46.143 -0.296 1
1 1023 . 18 2 2 B 19 19 GLY N N 117 110.055 106.650 3.405 1
1 1024 . 18 2 2 B 20 20 SER H H 118 8.250 8.529 -0.279 1
1 1025 . 18 2 2 B 20 20 SER HA H 118 4.495 4.479 0.016 1
1 1028 . 18 2 2 B 20 20 SER C C 118 175.327 174.543 0.784 1
1 1029 . 18 2 2 B 20 20 SER CA C 118 58.919 59.497 -0.578 1
1 1030 . 18 2 2 B 20 20 SER CB C 118 64.575 63.674 0.901 1
1 1031 . 18 2 2 B 20 20 SER N N 118 115.664 117.117 -1.453 1
1 1032 . 18 2 2 B 21 21 GLY H H 119 8.429 7.428 1.001 1
1 1033 . 18 2 2 B 21 21 GLY HA2 H 119 4.000 4.086 -0.086 1
1 1034 . 18 2 2 B 21 21 GLY HA3 H 119 4.000 4.088 -0.088 1
1 1035 . 18 2 2 B 21 21 GLY C C 119 174.002 173.037 0.965 1
1 1036 . 18 2 2 B 21 21 GLY CA C 119 45.721 45.734 -0.013 1
1 1037 . 18 2 2 B 21 21 GLY N N 119 110.872 104.374 6.498 1
1 1038 . 18 2 2 B 22 22 ASP H H 120 8.127 8.881 -0.754 1
1 1039 . 18 2 2 B 22 22 ASP HA H 120 4.634 4.863 -0.229 1
1 1042 . 18 2 2 B 22 22 ASP C C 120 176.355 177.291 -0.936 1
1 1043 . 18 2 2 B 22 22 ASP CA C 120 54.771 55.015 -0.244 1
1 1044 . 18 2 2 B 22 22 ASP CB C 120 41.699 44.264 -2.565 1
1 1045 . 18 2 2 B 22 22 ASP N N 120 120.530 119.853 0.677 1
1 1046 . 18 2 2 B 23 23 TYR H H 121 8.097 8.207 -0.110 1
1 1047 . 18 2 2 B 23 23 TYR HA H 121 4.555 4.348 0.207 1
1 1054 . 18 2 2 B 23 23 TYR C C 121 176.058 174.959 1.099 1
1 1055 . 18 2 2 B 23 23 TYR CA C 121 58.667 60.344 -1.677 1
1 1056 . 18 2 2 B 23 23 TYR CB C 121 39.311 40.237 -0.926 1
1 1059 . 18 2 2 B 23 23 TYR N N 121 120.584 120.526 0.058 1
1 1060 . 18 2 2 B 24 24 ASP H H 122 8.224 7.653 0.571 1
1 1061 . 18 2 2 B 24 24 ASP HA H 122 4.621 5.102 -0.481 1
1 1064 . 18 2 2 B 24 24 ASP C C 122 176.835 173.788 3.047 1
1 1065 . 18 2 2 B 24 24 ASP CA C 122 55.022 54.214 0.808 1
1 1066 . 18 2 2 B 24 24 ASP CB C 122 41.825 44.610 -2.785 1
1 1067 . 18 2 2 B 24 24 ASP N N 122 121.815 118.628 3.187 1
1 1068 . 18 2 2 B 25 25 SER H H 123 8.137 8.417 -0.280 1
1 1069 . 18 2 2 B 25 25 SER HA H 123 4.394 5.402 -1.008 1
1 1072 . 18 2 2 B 25 25 SER C C 123 175.075 173.069 2.006 1
1 1073 . 18 2 2 B 25 25 SER CA C 123 59.547 57.448 2.099 1
1 1074 . 18 2 2 B 25 25 SER CB C 123 63.540 65.588 -2.048 1
1 1075 . 18 2 2 B 25 25 SER N N 123 116.405 120.784 -4.379 1
1 1076 . 18 2 2 B 26 26 MET H H 124 8.221 8.510 -0.289 1
1 1077 . 18 2 2 B 26 26 MET HA H 124 4.500 4.995 -0.495 1
1 1082 . 18 2 2 B 26 26 MET C C 124 176.355 174.166 2.189 1
1 1083 . 18 2 2 B 26 26 MET CA C 124 56.279 54.800 1.479 1
1 1084 . 18 2 2 B 26 26 MET CB C 124 32.900 36.016 -3.116 1
1 1086 . 18 2 2 B 26 26 MET N N 124 121.210 123.000 -1.790 1
1 1087 . 18 2 2 B 27 27 LYS H H 125 7.991 8.585 -0.594 1
1 1088 . 18 2 2 B 27 27 LYS HA H 125 4.352 5.031 -0.679 1
1 1097 . 18 2 2 B 27 27 LYS C C 125 176.355 175.585 0.770 1
1 1098 . 18 2 2 B 27 27 LYS CA C 125 56.656 54.319 2.337 1
1 1099 . 18 2 2 B 27 27 LYS CB C 125 33.529 36.230 -2.701 1
1 1103 . 18 2 2 B 27 27 LYS N N 125 121.457 120.796 0.661 1
1 1104 . 18 2 2 B 28 28 GLU H H 126 8.216 8.846 -0.630 1
1 1105 . 18 2 2 B 28 28 GLU N N 126 122.890 117.600 5.290 1
1 1106 . 18 2 2 B 29 29 PRO HA H 127 4.396 4.328 0.068 1
1 1113 . 18 2 2 B 29 29 PRO C C 127 176.812 175.421 1.391 1
1 1114 . 18 2 2 B 29 29 PRO CA C 127 63.821 63.067 0.754 1
1 1115 . 18 2 2 B 29 29 PRO CB C 127 32.272 32.059 0.213 1
1 1118 . 18 2 2 B 30 30 ALA H H 128 8.282 8.095 0.187 1
1 1119 . 18 2 2 B 30 30 ALA HA H 128 4.316 4.522 -0.206 1
1 1123 . 18 2 2 B 30 30 ALA C C 128 177.589 177.236 0.353 1
1 1124 . 18 2 2 B 30 30 ALA CA C 128 53.192 51.080 2.112 1
1 1125 . 18 2 2 B 30 30 ALA CB C 128 19.703 20.011 -0.308 1
1 1126 . 18 2 2 B 30 30 ALA N N 128 123.577 123.989 -0.412 1
1 1127 . 18 2 2 B 31 31 PHE H H 129 8.035 8.698 -0.663 1
1 1128 . 18 2 2 B 31 31 PHE HA H 129 4.637 4.527 0.110 1
1 1135 . 18 2 2 B 31 31 PHE C C 129 175.624 176.282 -0.658 1
1 1136 . 18 2 2 B 31 31 PHE CA C 129 58.039 60.280 -2.241 1
1 1137 . 18 2 2 B 31 31 PHE CB C 129 40.065 39.988 0.077 1
1 1140 . 18 2 2 B 31 31 PHE N N 129 118.994 121.520 -2.526 1
1 1141 . 18 2 2 B 32 32 ARG H H 130 8.066 7.970 0.096 1
1 1142 . 18 2 2 B 32 32 ARG HA H 130 4.351 4.636 -0.285 1
1 1149 . 18 2 2 B 32 32 ARG C C 130 175.875 174.617 1.258 1
1 1150 . 18 2 2 B 32 32 ARG CA C 130 56.154 55.197 0.957 1
1 1151 . 18 2 2 B 32 32 ARG CB C 130 31.643 31.102 0.541 1
1 1154 . 18 2 2 B 32 32 ARG N N 130 123.094 117.112 5.982 1
1 1155 . 18 2 2 B 33 33 GLU H H 131 8.389 8.841 -0.452 1
1 1156 . 18 2 2 B 33 33 GLU HA H 131 4.295 4.602 -0.307 1
1 1161 . 18 2 2 B 33 33 GLU C C 131 176.766 174.684 2.082 1
1 1162 . 18 2 2 B 33 33 GLU CA C 131 57.285 55.803 1.482 1
1 1163 . 18 2 2 B 33 33 GLU CB C 131 30.512 33.070 -2.558 1
1 1165 . 18 2 2 B 33 33 GLU N N 131 122.719 124.423 -1.704 1
1 1166 . 18 2 2 B 34 34 GLU H H 132 8.526 8.876 -0.350 1
1 1167 . 18 2 2 B 34 34 GLU HA H 132 4.321 4.427 -0.106 1
1 1172 . 18 2 2 B 34 34 GLU C C 132 176.560 174.736 1.824 1
1 1173 . 18 2 2 B 34 34 GLU CA C 132 57.400 58.399 -0.999 1
1 1174 . 18 2 2 B 34 34 GLU CB C 132 30.512 28.829 1.683 1
1 1176 . 18 2 2 B 34 34 GLU N N 132 122.122 121.186 0.936 1
1 1177 . 18 2 2 B 35 35 ASN H H 133 8.379 8.827 -0.448 1
1 1178 . 18 2 2 B 35 35 ASN HA H 133 4.712 5.047 -0.335 1
1 1181 . 18 2 2 B 35 35 ASN C C 133 175.258 174.402 0.856 1
1 1182 . 18 2 2 B 35 35 ASN CA C 133 53.765 52.470 1.295 1
1 1183 . 18 2 2 B 35 35 ASN CB C 133 39.562 38.514 1.048 1
1 1184 . 18 2 2 B 35 35 ASN N N 133 119.552 122.811 -3.259 1
1 1185 . 18 2 2 B 36 36 ALA H H 134 8.175 8.794 -0.619 1
1 1186 . 18 2 2 B 36 36 ALA HA H 134 4.308 5.119 -0.811 1
1 1190 . 18 2 2 B 36 36 ALA C C 134 177.520 176.902 0.618 1
1 1191 . 18 2 2 B 36 36 ALA CA C 134 53.192 50.384 2.808 1
1 1192 . 18 2 2 B 36 36 ALA CB C 134 19.703 20.684 -0.981 1
1 1193 . 18 2 2 B 36 36 ALA N N 134 124.376 129.382 -5.006 1
1 1194 . 18 2 2 B 37 37 ASN H H 135 8.238 8.604 -0.366 1
1 1195 . 18 2 2 B 37 37 ASN HA H 135 4.713 4.767 -0.054 1
1 1198 . 18 2 2 B 37 37 ASN C C 135 175.144 176.270 -1.126 1
1 1199 . 18 2 2 B 37 37 ASN CA C 135 53.640 53.416 0.224 1
1 1200 . 18 2 2 B 37 37 ASN CB C 135 39.311 39.369 -0.058 1
1 1201 . 18 2 2 B 37 37 ASN N N 135 117.103 120.436 -3.333 1
1 1202 . 18 2 2 B 38 38 PHE H H 136 7.997 9.009 -1.012 1
1 1203 . 18 2 2 B 38 38 PHE HA H 136 4.678 4.101 0.577 1
1 1210 . 18 2 2 B 38 38 PHE C C 136 175.601 174.884 0.717 1
1 1211 . 18 2 2 B 38 38 PHE CA C 136 58.165 62.242 -4.077 1
1 1212 . 18 2 2 B 38 38 PHE CB C 136 39.939 39.520 0.419 1
1 1215 . 18 2 2 B 38 38 PHE N N 136 120.229 126.890 -6.661 1
1 1216 . 18 2 2 B 39 39 ASN H H 137 8.272 8.386 -0.114 1
1 1217 . 18 2 2 B 39 39 ASN HA H 137 4.752 5.191 -0.439 1
1 1220 . 18 2 2 B 39 39 ASN C C 137 174.047 173.782 0.265 1
1 1221 . 18 2 2 B 39 39 ASN CA C 137 53.891 51.874 2.017 1
1 1222 . 18 2 2 B 39 39 ASN CB C 137 39.688 41.719 -2.031 1
1 1223 . 18 2 2 B 39 39 ASN N N 137 120.594 115.902 4.692 1
1 3 . 19 1 1 A 4 4 PRO HA H 2 4.509 4.614 -0.105 1
1 10 . 19 1 1 A 4 4 PRO C C 2 177.132 177.093 0.039 1
1 11 . 19 1 1 A 4 4 PRO CA C 2 63.529 62.935 0.594 1
1 12 . 19 1 1 A 4 4 PRO CB C 2 32.476 32.640 -0.164 1
1 15 . 19 1 1 A 5 5 VAL H H 3 8.201 8.556 -0.355 1
1 16 . 19 1 1 A 5 5 VAL HA H 3 4.152 3.961 0.191 1
1 24 . 19 1 1 A 5 5 VAL C C 3 176.423 176.465 -0.042 1
1 25 . 19 1 1 A 5 5 VAL CA C 3 62.873 64.975 -2.102 1
1 26 . 19 1 1 A 5 5 VAL CB C 3 33.455 32.480 0.975 1
1 28 . 19 1 1 A 5 5 VAL N N 3 120.488 120.020 0.468 1
1 29 . 19 1 1 A 6 6 SER H H 4 8.276 7.924 0.352 1
1 30 . 19 1 1 A 6 6 SER HA H 4 4.494 4.483 0.011 1
1 33 . 19 1 1 A 6 6 SER C C 4 174.687 174.386 0.301 1
1 34 . 19 1 1 A 6 6 SER CA C 4 58.375 56.807 1.568 1
1 35 . 19 1 1 A 6 6 SER CB C 4 64.295 63.401 0.894 1
1 36 . 19 1 1 A 6 6 SER N N 4 119.000 115.595 3.405 1
1 37 . 19 1 1 A 7 7 LEU H H 5 8.238 8.920 -0.682 1
1 38 . 19 1 1 A 7 7 LEU HA H 5 4.406 4.333 0.073 1
1 44 . 19 1 1 A 7 7 LEU C C 5 177.406 176.802 0.604 1
1 45 . 19 1 1 A 7 7 LEU CA C 5 55.766 56.090 -0.324 1
1 46 . 19 1 1 A 7 7 LEU CB C 5 43.083 42.425 0.658 1
1 48 . 19 1 1 A 7 7 LEU N N 5 124.704 130.766 -6.062 1
1 49 . 19 1 1 A 8 8 SER H H 6 8.148 7.731 0.417 1
1 50 . 19 1 1 A 8 8 SER HA H 6 4.438 4.460 -0.022 1
1 53 . 19 1 1 A 8 8 SER C C 6 174.321 172.538 1.783 1
1 54 . 19 1 1 A 8 8 SER CA C 6 58.718 57.017 1.701 1
1 55 . 19 1 1 A 8 8 SER CB C 6 64.295 65.363 -1.068 1
1 56 . 19 1 1 A 8 8 SER N N 6 115.960 108.924 7.036 1
1 57 . 19 1 1 A 9 9 TYR H H 7 7.954 8.499 -0.545 1
1 58 . 19 1 1 A 9 9 TYR HA H 7 4.585 4.601 -0.016 1
1 65 . 19 1 1 A 9 9 TYR C C 7 175.532 175.704 -0.172 1
1 66 . 19 1 1 A 9 9 TYR CA C 7 58.335 59.726 -1.391 1
1 67 . 19 1 1 A 9 9 TYR CB C 7 39.474 39.066 0.408 1
1 70 . 19 1 1 A 9 9 TYR N N 7 121.884 121.435 0.449 1
1 71 . 19 1 1 A 10 10 ARG H H 8 8.117 8.908 -0.791 1
1 72 . 19 1 1 A 10 10 ARG HA H 8 4.349 4.930 -0.581 1
1 79 . 19 1 1 A 10 10 ARG C C 8 175.898 174.649 1.249 1
1 80 . 19 1 1 A 10 10 ARG CA C 8 56.048 54.102 1.946 1
1 81 . 19 1 1 A 10 10 ARG CB C 8 31.492 33.547 -2.055 1
1 84 . 19 1 1 A 10 10 ARG N N 8 121.977 120.931 1.046 1
1 85 . 19 1 1 A 11 11 CYS H H 9 8.127 8.677 -0.550 1
1 86 . 19 1 1 A 11 11 CYS HA H 9 5.004 4.936 0.068 1
1 89 . 19 1 1 A 11 11 CYS C C 9 177.771 174.028 3.743 1
1 90 . 19 1 1 A 11 11 CYS CA C 9 53.192 54.895 -1.703 1
1 91 . 19 1 1 A 11 11 CYS CB C 9 40.897 43.383 -2.486 1
1 92 . 19 1 1 A 11 11 CYS N N 9 121.209 119.344 1.865 1
1 93 . 19 1 1 A 12 12 PRO HA H 10 4.340 4.266 0.074 1
1 100 . 19 1 1 A 12 12 PRO CA C 10 65.478 64.346 1.132 1
1 101 . 19 1 1 A 12 12 PRO CB C 10 32.904 31.578 1.326 1
1 104 . 19 1 1 A 13 13 CYS H H 11 8.662 8.214 0.448 1
1 105 . 19 1 1 A 13 13 CYS C C 11 174.618 173.791 0.827 1
1 106 . 19 1 1 A 13 13 CYS N N 11 114.595 118.885 -4.290 1
1 107 . 19 1 1 A 14 14 ARG H H 12 8.236 8.933 -0.697 1
1 108 . 19 1 1 A 14 14 ARG HA H 12 4.075 4.294 -0.219 1
1 115 . 19 1 1 A 14 14 ARG C C 12 175.098 176.386 -1.288 1
1 116 . 19 1 1 A 14 14 ARG CA C 12 57.370 57.547 -0.177 1
1 117 . 19 1 1 A 14 14 ARG CB C 12 31.631 30.982 0.649 1
1 120 . 19 1 1 A 14 14 ARG N N 12 122.779 125.959 -3.180 1
1 121 . 19 1 1 A 15 15 PHE H H 13 7.603 7.799 -0.196 1
1 122 . 19 1 1 A 15 15 PHE HA H 13 4.515 5.298 -0.783 1
1 129 . 19 1 1 A 15 15 PHE C C 13 174.162 174.774 -0.612 1
1 130 . 19 1 1 A 15 15 PHE CA C 13 56.289 56.121 0.168 1
1 131 . 19 1 1 A 15 15 PHE CB C 13 41.320 42.822 -1.502 1
1 134 . 19 1 1 A 15 15 PHE N N 13 116.797 114.564 2.233 1
1 135 . 19 1 1 A 16 16 PHE H H 14 8.112 8.898 -0.786 1
1 136 . 19 1 1 A 16 16 PHE HA H 14 4.783 5.957 -1.174 1
1 143 . 19 1 1 A 16 16 PHE C C 14 175.441 173.757 1.684 1
1 144 . 19 1 1 A 16 16 PHE CA C 14 55.767 55.326 0.441 1
1 145 . 19 1 1 A 16 16 PHE CB C 14 41.320 42.627 -1.307 1
1 148 . 19 1 1 A 16 16 PHE N N 14 118.930 117.786 1.144 1
1 149 . 19 1 1 A 17 17 GLU H H 15 8.820 9.833 -1.013 1
1 150 . 19 1 1 A 17 17 GLU HA H 15 4.616 4.717 -0.101 1
1 155 . 19 1 1 A 17 17 GLU C C 15 176.857 176.246 0.611 1
1 156 . 19 1 1 A 17 17 GLU CA C 15 56.289 55.851 0.438 1
1 157 . 19 1 1 A 17 17 GLU CB C 15 31.173 31.010 0.163 1
1 159 . 19 1 1 A 17 17 GLU N N 15 122.825 121.930 0.895 1
1 160 . 19 1 1 A 18 18 SER H H 16 8.746 8.754 -0.008 1
1 161 . 19 1 1 A 18 18 SER HA H 16 4.759 4.616 0.143 1
1 164 . 19 1 1 A 18 18 SER C C 16 177.497 173.835 3.662 1
1 165 . 19 1 1 A 18 18 SER CA C 16 59.328 59.798 -0.470 1
1 166 . 19 1 1 A 18 18 SER CB C 16 64.515 63.736 0.779 1
1 167 . 19 1 1 A 18 18 SER N N 16 118.860 121.136 -2.276 1
1 168 . 19 1 1 A 19 19 HIS H H 17 8.761 8.143 0.618 1
1 169 . 19 1 1 A 19 19 HIS HA H 17 4.859 4.759 0.100 1
1 174 . 19 1 1 A 19 19 HIS C C 17 174.618 174.679 -0.061 1
1 175 . 19 1 1 A 19 19 HIS CA C 17 56.449 55.299 1.150 1
1 176 . 19 1 1 A 19 19 HIS CB C 17 29.870 27.846 2.024 1
1 179 . 19 1 1 A 19 19 HIS N N 17 120.535 117.703 2.832 1
1 180 . 19 1 1 A 20 20 VAL H H 18 7.211 8.755 -1.544 1
1 181 . 19 1 1 A 20 20 VAL HA H 18 4.160 4.622 -0.462 1
1 189 . 19 1 1 A 20 20 VAL C C 18 174.436 175.260 -0.824 1
1 190 . 19 1 1 A 20 20 VAL CA C 18 62.167 60.452 1.715 1
1 191 . 19 1 1 A 20 20 VAL CB C 18 34.426 34.890 -0.464 1
1 193 . 19 1 1 A 20 20 VAL N N 18 120.872 124.944 -4.072 1
1 194 . 19 1 1 A 21 21 ALA H H 19 8.535 8.771 -0.236 1
1 195 . 19 1 1 A 21 21 ALA HA H 19 4.402 4.253 0.149 1
1 199 . 19 1 1 A 21 21 ALA C C 19 177.657 178.282 -0.625 1
1 200 . 19 1 1 A 21 21 ALA CA C 19 51.193 52.334 -1.141 1
1 201 . 19 1 1 A 21 21 ALA CB C 19 19.790 18.812 0.978 1
1 202 . 19 1 1 A 21 21 ALA N N 19 131.339 127.797 3.542 1
1 203 . 19 1 1 A 22 22 ARG H H 20 7.815 8.242 -0.427 1
1 204 . 19 1 1 A 22 22 ARG HA H 20 2.495 3.051 -0.556 1
1 211 . 19 1 1 A 22 22 ARG C C 20 178.365 176.894 1.471 1
1 212 . 19 1 1 A 22 22 ARG CA C 20 59.379 57.733 1.646 1
1 213 . 19 1 1 A 22 22 ARG CB C 20 29.572 29.188 0.384 1
1 216 . 19 1 1 A 22 22 ARG N N 20 124.365 124.239 0.126 1
1 217 . 19 1 1 A 23 23 ALA H H 21 8.135 7.435 0.700 1
1 218 . 19 1 1 A 23 23 ALA HA H 21 4.070 4.108 -0.038 1
1 222 . 19 1 1 A 23 23 ALA C C 21 178.000 177.853 0.147 1
1 223 . 19 1 1 A 23 23 ALA CA C 21 54.100 53.125 0.975 1
1 224 . 19 1 1 A 23 23 ALA CB C 21 18.713 18.732 -0.019 1
1 225 . 19 1 1 A 23 23 ALA N N 21 117.156 121.180 -4.024 1
1 226 . 19 1 1 A 24 24 ASN H H 22 7.712 7.770 -0.058 1
1 227 . 19 1 1 A 24 24 ASN HA H 22 5.008 4.798 0.210 1
1 232 . 19 1 1 A 24 24 ASN C C 22 174.938 174.866 0.072 1
1 233 . 19 1 1 A 24 24 ASN CA C 22 52.869 52.465 0.404 1
1 234 . 19 1 1 A 24 24 ASN CB C 22 40.573 38.772 1.801 1
1 235 . 19 1 1 A 24 24 ASN N N 22 112.819 115.157 -2.338 1
1 237 . 19 1 1 A 25 25 VAL H H 23 7.508 7.403 0.105 1
1 238 . 19 1 1 A 25 25 VAL HA H 23 4.896 4.376 0.520 1
1 246 . 19 1 1 A 25 25 VAL C C 23 175.829 175.306 0.523 1
1 247 . 19 1 1 A 25 25 VAL CA C 23 59.870 59.946 -0.076 1
1 248 . 19 1 1 A 25 25 VAL CB C 23 35.396 33.965 1.431 1
1 251 . 19 1 1 A 25 25 VAL N N 23 119.721 119.812 -0.091 1
1 252 . 19 1 1 A 26 26 LYS H H 24 9.483 9.262 0.221 1
1 253 . 19 1 1 A 26 26 LYS HA H 24 4.350 4.292 0.058 1
1 262 . 19 1 1 A 26 26 LYS C C 24 176.606 176.325 0.281 1
1 263 . 19 1 1 A 26 26 LYS CA C 24 58.977 57.145 1.832 1
1 264 . 19 1 1 A 26 26 LYS CB C 24 34.567 32.775 1.792 1
1 268 . 19 1 1 A 26 26 LYS N N 24 128.029 127.130 0.899 1
1 269 . 19 1 1 A 27 27 HIS H H 25 7.223 7.730 -0.507 1
1 270 . 19 1 1 A 27 27 HIS HA H 25 4.979 4.885 0.094 1
1 275 . 19 1 1 A 27 27 HIS C C 25 178.434 172.576 5.858 1
1 276 . 19 1 1 A 27 27 HIS CA C 25 55.406 54.741 0.665 1
1 277 . 19 1 1 A 27 27 HIS CB C 25 32.904 31.034 1.870 1
1 280 . 19 1 1 A 27 27 HIS N N 25 109.556 114.015 -4.459 1
1 281 . 19 1 1 A 28 28 LEU H H 26 8.149 8.717 -0.568 1
1 282 . 19 1 1 A 28 28 LEU HA H 26 5.190 5.483 -0.293 1
1 292 . 19 1 1 A 28 28 LEU C C 26 175.510 175.103 0.407 1
1 293 . 19 1 1 A 28 28 LEU CA C 26 53.480 53.396 0.084 1
1 294 . 19 1 1 A 28 28 LEU CB C 26 45.235 45.428 -0.193 1
1 298 . 19 1 1 A 28 28 LEU N N 26 117.106 119.766 -2.660 1
1 299 . 19 1 1 A 29 29 LYS H H 27 9.578 9.178 0.400 1
1 300 . 19 1 1 A 29 29 LYS HA H 27 5.385 5.152 0.233 1
1 309 . 19 1 1 A 29 29 LYS C C 27 174.801 174.528 0.273 1
1 310 . 19 1 1 A 29 29 LYS CA C 27 55.165 54.645 0.520 1
1 311 . 19 1 1 A 29 29 LYS CB C 27 35.253 35.491 -0.238 1
1 315 . 19 1 1 A 29 29 LYS N N 27 123.488 122.763 0.725 1
1 316 . 19 1 1 A 30 30 ILE H H 28 9.133 9.043 0.090 1
1 317 . 19 1 1 A 30 30 ILE HA H 28 4.925 5.010 -0.085 1
1 327 . 19 1 1 A 30 30 ILE C C 28 176.949 174.613 2.336 1
1 328 . 19 1 1 A 30 30 ILE CA C 28 60.542 59.729 0.813 1
1 329 . 19 1 1 A 30 30 ILE CB C 28 39.600 39.542 0.058 1
1 333 . 19 1 1 A 30 30 ILE N N 28 123.846 127.862 -4.016 1
1 334 . 19 1 1 A 31 31 LEU H H 29 8.830 9.333 -0.503 1
1 335 . 19 1 1 A 31 31 LEU HA H 29 4.533 5.043 -0.510 1
1 344 . 19 1 1 A 31 31 LEU C C 29 176.012 174.049 1.963 1
1 345 . 19 1 1 A 31 31 LEU CA C 29 55.406 54.122 1.284 1
1 346 . 19 1 1 A 31 31 LEU CB C 29 43.180 45.984 -2.804 1
1 349 . 19 1 1 A 31 31 LEU N N 29 128.649 128.711 -0.062 1
1 350 . 19 1 1 A 32 32 ASN H H 30 8.211 9.030 -0.819 1
1 351 . 19 1 1 A 32 32 ASN HA H 30 5.014 5.541 -0.527 1
1 356 . 19 1 1 A 32 32 ASN C C 30 174.664 173.888 0.776 1
1 357 . 19 1 1 A 32 32 ASN CA C 30 52.517 51.780 0.737 1
1 358 . 19 1 1 A 32 32 ASN CB C 30 38.776 42.095 -3.319 1
1 359 . 19 1 1 A 32 32 ASN N N 30 120.791 125.923 -5.132 1
1 361 . 19 1 1 A 33 33 THR H H 31 7.896 8.643 -0.747 1
1 362 . 19 1 1 A 33 33 THR HA H 31 4.842 4.970 -0.128 1
1 367 . 19 1 1 A 33 33 THR CA C 31 58.369 58.346 0.023 1
1 368 . 19 1 1 A 33 33 THR CB C 31 70.011 69.617 0.394 1
1 370 . 19 1 1 A 33 33 THR N N 31 115.811 117.100 -1.289 1
1 371 . 19 1 1 A 34 34 PRO HA H 32 4.317 4.497 -0.180 1
1 378 . 19 1 1 A 34 34 PRO CA C 32 65.164 63.842 1.322 1
1 379 . 19 1 1 A 34 34 PRO CB C 32 32.484 31.827 0.657 1
1 382 . 19 1 1 A 35 35 ASN H H 33 8.256 8.202 0.054 1
1 383 . 19 1 1 A 35 35 ASN HA H 33 4.651 4.879 -0.228 1
1 388 . 19 1 1 A 35 35 ASN C C 33 174.710 174.656 0.054 1
1 389 . 19 1 1 A 35 35 ASN CA C 33 54.532 53.416 1.116 1
1 390 . 19 1 1 A 35 35 ASN CB C 33 39.167 40.805 -1.638 1
1 391 . 19 1 1 A 35 35 ASN N N 33 120.081 115.706 4.375 1
1 393 . 19 1 1 A 36 36 CYS H H 34 7.548 7.403 0.145 1
1 394 . 19 1 1 A 36 36 CYS HA H 34 4.693 4.837 -0.144 1
1 397 . 19 1 1 A 36 36 CYS C C 34 173.865 174.557 -0.692 1
1 398 . 19 1 1 A 36 36 CYS CA C 34 55.447 55.017 0.430 1
1 399 . 19 1 1 A 36 36 CYS CB C 34 45.228 45.153 0.075 1
1 400 . 19 1 1 A 36 36 CYS N N 34 117.076 116.315 0.761 1
1 401 . 19 1 1 A 37 37 ALA H H 35 8.469 8.213 0.256 1
1 402 . 19 1 1 A 37 37 ALA HA H 35 4.252 3.990 0.262 1
1 406 . 19 1 1 A 37 37 ALA C C 35 176.423 177.413 -0.990 1
1 407 . 19 1 1 A 37 37 ALA CA C 35 53.537 55.531 -1.994 1
1 408 . 19 1 1 A 37 37 ALA CB C 35 19.202 19.002 0.200 1
1 409 . 19 1 1 A 37 37 ALA N N 35 125.153 127.523 -2.370 1
1 410 . 19 1 1 A 38 38 CYS H H 36 8.315 7.489 0.826 1
1 411 . 19 1 1 A 38 38 CYS HA H 36 4.211 4.790 -0.579 1
1 414 . 19 1 1 A 38 38 CYS C C 36 173.705 172.239 1.466 1
1 415 . 19 1 1 A 38 38 CYS CA C 36 58.616 58.012 0.604 1
1 416 . 19 1 1 A 38 38 CYS CB C 36 45.705 30.768 14.937 1
1 417 . 19 1 1 A 38 38 CYS N N 36 118.837 110.750 8.087 1
1 418 . 19 1 1 A 39 39 GLN H H 37 8.926 9.223 -0.297 1
1 419 . 19 1 1 A 39 39 GLN HA H 37 4.609 5.085 -0.476 1
1 426 . 19 1 1 A 39 39 GLN C C 37 173.636 174.578 -0.942 1
1 427 . 19 1 1 A 39 39 GLN CA C 37 54.603 54.584 0.019 1
1 428 . 19 1 1 A 39 39 GLN CB C 37 31.761 32.556 -0.795 1
1 430 . 19 1 1 A 39 39 GLN N N 37 128.567 121.225 7.342 1
1 432 . 19 1 1 A 40 40 ILE H H 38 8.874 8.389 0.485 1
1 433 . 19 1 1 A 40 40 ILE HA H 38 5.093 5.238 -0.145 1
1 443 . 19 1 1 A 40 40 ILE C C 38 174.390 174.538 -0.148 1
1 444 . 19 1 1 A 40 40 ILE CA C 38 60.582 60.048 0.534 1
1 445 . 19 1 1 A 40 40 ILE CB C 38 40.048 41.386 -1.338 1
1 449 . 19 1 1 A 40 40 ILE N N 38 123.962 122.298 1.664 1
1 450 . 19 1 1 A 41 41 VAL H H 39 9.120 9.567 -0.447 1
1 451 . 19 1 1 A 41 41 VAL HA H 39 4.905 4.762 0.143 1
1 459 . 19 1 1 A 41 41 VAL C C 39 175.487 174.594 0.893 1
1 460 . 19 1 1 A 41 41 VAL CA C 39 59.980 61.281 -1.301 1
1 461 . 19 1 1 A 41 41 VAL CB C 39 35.868 33.384 2.484 1
1 464 . 19 1 1 A 41 41 VAL N N 39 126.354 128.524 -2.170 1
1 465 . 19 1 1 A 42 42 ALA H H 40 9.513 9.639 -0.126 1
1 466 . 19 1 1 A 42 42 ALA HA H 40 5.154 5.719 -0.565 1
1 470 . 19 1 1 A 42 42 ALA C C 40 175.944 175.396 0.548 1
1 471 . 19 1 1 A 42 42 ALA CA C 40 50.591 50.104 0.487 1
1 472 . 19 1 1 A 42 42 ALA CB C 40 22.432 21.594 0.838 1
1 473 . 19 1 1 A 42 42 ALA N N 40 128.406 129.679 -1.273 1
1 474 . 19 1 1 A 43 43 ARG H H 41 7.706 8.743 -1.037 1
1 475 . 19 1 1 A 43 43 ARG HA H 41 4.978 4.767 0.211 1
1 482 . 19 1 1 A 43 43 ARG C C 41 175.510 175.527 -0.017 1
1 483 . 19 1 1 A 43 43 ARG CA C 41 54.162 55.104 -0.942 1
1 484 . 19 1 1 A 43 43 ARG CB C 41 31.200 31.803 -0.603 1
1 487 . 19 1 1 A 43 43 ARG N N 41 121.663 123.838 -2.175 1
1 488 . 19 1 1 A 44 44 LEU H H 42 9.164 8.665 0.499 1
1 489 . 19 1 1 A 44 44 LEU HA H 42 5.023 4.587 0.436 1
1 499 . 19 1 1 A 44 44 LEU C C 42 177.840 177.555 0.285 1
1 500 . 19 1 1 A 44 44 LEU CA C 42 54.724 55.453 -0.729 1
1 501 . 19 1 1 A 44 44 LEU CB C 42 41.712 41.755 -0.043 1
1 505 . 19 1 1 A 44 44 LEU N N 42 129.087 128.127 0.960 1
1 506 . 19 1 1 A 45 45 LYS H H 43 8.414 9.014 -0.600 1
1 507 . 19 1 1 A 45 45 LYS HA H 43 3.954 4.006 -0.052 1
1 516 . 19 1 1 A 45 45 LYS CA C 43 59.016 59.592 -0.576 1
1 517 . 19 1 1 A 45 45 LYS CB C 43 34.102 32.544 1.558 1
1 520 . 19 1 1 A 45 45 LYS N N 43 119.674 122.686 -3.012 1
1 521 . 19 1 1 A 48 48 ASN HA H 46 4.723 4.951 -0.228 1
1 526 . 19 1 1 A 48 48 ASN C C 46 175.098 174.832 0.266 1
1 527 . 19 1 1 A 48 48 ASN CA C 46 54.764 54.135 0.629 1
1 528 . 19 1 1 A 48 48 ASN CB C 46 39.265 41.199 -1.934 1
1 530 . 19 1 1 A 49 49 ARG H H 47 7.914 7.760 0.154 1
1 531 . 19 1 1 A 49 49 ARG HA H 47 4.352 4.825 -0.473 1
1 538 . 19 1 1 A 49 49 ARG C C 47 175.601 174.819 0.782 1
1 539 . 19 1 1 A 49 49 ARG CA C 47 57.051 54.028 3.023 1
1 540 . 19 1 1 A 49 49 ARG CB C 47 32.121 33.732 -1.611 1
1 543 . 19 1 1 A 49 49 ARG N N 47 119.826 117.050 2.776 1
1 544 . 19 1 1 A 50 50 GLN H H 48 8.542 8.456 0.086 1
1 545 . 19 1 1 A 50 50 GLN HA H 48 5.495 5.012 0.483 1
1 552 . 19 1 1 A 50 50 GLN C C 48 175.578 175.399 0.179 1
1 553 . 19 1 1 A 50 50 GLN CA C 48 55.125 55.003 0.122 1
1 554 . 19 1 1 A 50 50 GLN CB C 48 32.121 30.605 1.516 1
1 556 . 19 1 1 A 50 50 GLN N N 48 120.767 118.778 1.989 1
1 558 . 19 1 1 A 51 51 VAL H H 49 8.649 9.268 -0.619 1
1 559 . 19 1 1 A 51 51 VAL HA H 49 4.833 4.855 -0.022 1
1 567 . 19 1 1 A 51 51 VAL C C 49 175.258 173.623 1.635 1
1 568 . 19 1 1 A 51 51 VAL CA C 49 59.338 59.386 -0.048 1
1 569 . 19 1 1 A 51 51 VAL CB C 49 36.155 35.179 0.976 1
1 572 . 19 1 1 A 51 51 VAL N N 49 116.678 117.476 -0.798 1
1 573 . 19 1 1 A 52 52 CYS H H 50 9.099 9.553 -0.454 1
1 574 . 19 1 1 A 52 52 CYS HA H 50 5.308 5.341 -0.033 1
1 577 . 19 1 1 A 52 52 CYS C C 50 174.527 172.547 1.980 1
1 578 . 19 1 1 A 52 52 CYS CA C 50 58.054 54.185 3.869 1
1 579 . 19 1 1 A 52 52 CYS CB C 50 43.375 45.733 -2.358 1
1 580 . 19 1 1 A 52 52 CYS N N 50 124.549 121.020 3.529 1
1 581 . 19 1 1 A 53 53 ILE H H 51 8.479 9.906 -1.427 1
1 582 . 19 1 1 A 53 53 ILE HA H 51 4.974 4.817 0.157 1
1 592 . 19 1 1 A 53 53 ILE C C 51 173.019 175.179 -2.160 1
1 593 . 19 1 1 A 53 53 ILE CA C 51 58.897 60.028 -1.131 1
1 594 . 19 1 1 A 53 53 ILE CB C 51 42.201 40.731 1.470 1
1 598 . 19 1 1 A 53 53 ILE N N 51 122.581 127.696 -5.115 1
1 599 . 19 1 1 A 54 54 ASP H H 52 7.642 8.712 -1.070 1
1 600 . 19 1 1 A 54 54 ASP HA H 52 3.619 4.682 -1.063 1
1 603 . 19 1 1 A 54 54 ASP CA C 52 51.574 51.833 -0.259 1
1 604 . 19 1 1 A 54 54 ASP CB C 52 42.515 41.995 0.520 1
1 605 . 19 1 1 A 54 54 ASP N N 52 125.772 126.390 -0.618 1
1 606 . 19 1 1 A 55 55 PRO HA H 53 4.023 4.434 -0.411 1
1 613 . 19 1 1 A 55 55 PRO C C 53 176.126 176.579 -0.453 1
1 614 . 19 1 1 A 55 55 PRO CA C 53 63.993 63.989 0.004 1
1 615 . 19 1 1 A 55 55 PRO CB C 53 33.002 31.692 1.310 1
1 618 . 19 1 1 A 56 56 LYS H H 54 7.930 7.892 0.038 1
1 619 . 19 1 1 A 56 56 LYS HA H 54 4.000 4.440 -0.440 1
1 628 . 19 1 1 A 56 56 LYS C C 54 177.931 176.350 1.581 1
1 629 . 19 1 1 A 56 56 LYS CA C 54 56.770 55.698 1.072 1
1 630 . 19 1 1 A 56 56 LYS CB C 54 32.023 32.849 -0.826 1
1 634 . 19 1 1 A 56 56 LYS N N 54 112.924 116.054 -3.130 1
1 635 . 19 1 1 A 57 57 LEU H H 55 7.161 6.952 0.209 1
1 636 . 19 1 1 A 57 57 LEU HA H 55 4.065 4.095 -0.030 1
1 646 . 19 1 1 A 57 57 LEU C C 55 179.416 177.677 1.739 1
1 647 . 19 1 1 A 57 57 LEU CA C 55 56.088 54.835 1.253 1
1 648 . 19 1 1 A 57 57 LEU CB C 55 42.397 41.679 0.718 1
1 652 . 19 1 1 A 57 57 LEU N N 55 120.593 121.052 -0.459 1
1 653 . 19 1 1 A 58 58 LYS H H 56 8.716 9.007 -0.291 1
1 654 . 19 1 1 A 58 58 LYS HA H 56 3.937 3.871 0.066 1
1 663 . 19 1 1 A 58 58 LYS C C 56 178.937 178.014 0.923 1
1 664 . 19 1 1 A 58 58 LYS CA C 56 60.301 59.830 0.471 1
1 665 . 19 1 1 A 58 58 LYS CB C 56 32.121 32.420 -0.299 1
1 669 . 19 1 1 A 58 58 LYS N N 56 125.479 124.206 1.273 1
1 670 . 19 1 1 A 59 59 TRP H H 57 7.827 8.390 -0.563 1
1 671 . 19 1 1 A 59 59 TRP HA H 57 4.664 4.510 0.154 1
1 680 . 19 1 1 A 59 59 TRP C C 57 178.868 179.416 -0.548 1
1 681 . 19 1 1 A 59 59 TRP CA C 57 58.897 59.846 -0.949 1
1 682 . 19 1 1 A 59 59 TRP CB C 57 28.036 28.043 -0.007 1
1 688 . 19 1 1 A 59 59 TRP N N 57 113.433 119.229 -5.796 1
1 690 . 19 1 1 A 60 60 ILE H H 58 6.458 7.573 -1.115 1
1 691 . 19 1 1 A 60 60 ILE HA H 58 3.325 3.544 -0.219 1
1 701 . 19 1 1 A 60 60 ILE C C 58 177.726 178.050 -0.324 1
1 702 . 19 1 1 A 60 60 ILE CA C 58 64.314 64.479 -0.165 1
1 703 . 19 1 1 A 60 60 ILE CB C 58 35.897 36.284 -0.387 1
1 707 . 19 1 1 A 60 60 ILE N N 58 124.379 122.434 1.945 1
1 708 . 19 1 1 A 61 61 GLN H H 59 7.622 8.299 -0.677 1
1 709 . 19 1 1 A 61 61 GLN HA H 59 3.763 3.892 -0.129 1
1 716 . 19 1 1 A 61 61 GLN C C 59 178.434 179.114 -0.680 1
1 717 . 19 1 1 A 61 61 GLN CA C 59 59.379 59.256 0.123 1
1 718 . 19 1 1 A 61 61 GLN CB C 59 28.602 28.454 0.148 1
1 720 . 19 1 1 A 61 61 GLN N N 59 119.070 119.429 -0.359 1
1 722 . 19 1 1 A 62 62 GLU H H 60 8.064 7.673 0.391 1
1 723 . 19 1 1 A 62 62 GLU HA H 60 4.093 4.082 0.011 1
1 728 . 19 1 1 A 62 62 GLU C C 60 179.051 178.789 0.262 1
1 729 . 19 1 1 A 62 62 GLU CA C 60 59.659 59.487 0.172 1
1 730 . 19 1 1 A 62 62 GLU CB C 60 30.457 29.649 0.808 1
1 732 . 19 1 1 A 62 62 GLU N N 60 117.166 120.277 -3.111 1
1 733 . 19 1 1 A 63 63 TYR H H 61 7.913 8.298 -0.385 1
1 734 . 19 1 1 A 63 63 TYR HA H 61 4.265 4.299 -0.034 1
1 741 . 19 1 1 A 63 63 TYR C C 61 178.617 177.654 0.963 1
1 742 . 19 1 1 A 63 63 TYR CA C 61 61.184 61.527 -0.343 1
1 743 . 19 1 1 A 63 63 TYR CB C 61 39.461 38.872 0.589 1
1 746 . 19 1 1 A 63 63 TYR N N 61 121.271 122.053 -0.782 1
1 747 . 19 1 1 A 64 64 LEU H H 62 8.252 8.941 -0.689 1
1 748 . 19 1 1 A 64 64 LEU HA H 62 3.977 3.910 0.067 1
1 758 . 19 1 1 A 64 64 LEU C C 62 179.553 179.087 0.466 1
1 759 . 19 1 1 A 64 64 LEU CA C 62 58.014 58.167 -0.153 1
1 760 . 19 1 1 A 64 64 LEU CB C 62 42.397 41.341 1.056 1
1 764 . 19 1 1 A 64 64 LEU N N 62 116.299 120.257 -3.958 1
1 765 . 19 1 1 A 65 65 GLU H H 63 8.453 8.449 0.004 1
1 766 . 19 1 1 A 65 65 GLU HA H 63 3.853 3.912 -0.059 1
1 771 . 19 1 1 A 65 65 GLU C C 63 179.279 179.446 -0.167 1
1 772 . 19 1 1 A 65 65 GLU CA C 63 60.301 59.932 0.369 1
1 773 . 19 1 1 A 65 65 GLU CB C 63 29.870 29.531 0.339 1
1 775 . 19 1 1 A 65 65 GLU N N 63 118.616 117.549 1.067 1
1 776 . 19 1 1 A 66 66 LYS H H 64 7.571 8.261 -0.690 1
1 777 . 19 1 1 A 66 66 LYS HA H 64 4.225 4.048 0.177 1
1 786 . 19 1 1 A 66 66 LYS C C 64 178.457 179.274 -0.817 1
1 787 . 19 1 1 A 66 66 LYS CA C 64 58.496 59.075 -0.579 1
1 788 . 19 1 1 A 66 66 LYS CB C 64 32.400 32.370 0.030 1
1 792 . 19 1 1 A 66 66 LYS N N 64 117.166 118.767 -1.601 1
1 793 . 19 1 1 A 67 67 CYS H H 65 7.916 7.872 0.044 1
1 794 . 19 1 1 A 67 67 CYS HA H 65 4.561 4.087 0.474 1
1 797 . 19 1 1 A 67 67 CYS C C 65 174.893 176.876 -1.983 1
1 798 . 19 1 1 A 67 67 CYS CA C 65 56.329 61.994 -5.665 1
1 799 . 19 1 1 A 67 67 CYS CB C 65 45.235 27.056 18.179 1
1 800 . 19 1 1 A 67 67 CYS N N 65 115.312 119.156 -3.844 1
1 801 . 19 1 1 A 68 68 LEU H H 66 7.556 7.690 -0.134 1
1 802 . 19 1 1 A 68 68 LEU HA H 66 4.520 3.959 0.561 1
1 812 . 19 1 1 A 68 68 LEU C C 66 176.812 178.550 -1.738 1
1 813 . 19 1 1 A 68 68 LEU CA C 66 55.366 57.814 -2.448 1
1 814 . 19 1 1 A 68 68 LEU CB C 66 43.278 41.203 2.075 1
1 818 . 19 1 1 A 68 68 LEU N N 66 120.930 119.311 1.619 1
1 819 . 19 1 1 A 69 69 ASN H H 67 8.266 7.755 0.511 1
1 820 . 19 1 1 A 69 69 ASN HA H 67 4.681 4.449 0.232 1
1 825 . 19 1 1 A 69 69 ASN CA C 67 53.761 56.095 -2.334 1
1 826 . 19 1 1 A 69 69 ASN CB C 67 39.069 38.527 0.542 1
1 827 . 19 1 1 A 69 69 ASN N N 67 120.279 117.220 3.059 1
1 852 . 19 2 2 B 4 4 GLU H H 102 8.376 7.969 0.407 1
1 853 . 19 2 2 B 4 4 GLU HA H 102 4.335 4.431 -0.096 1
1 858 . 19 2 2 B 4 4 GLU C C 102 177.132 176.901 0.231 1
1 859 . 19 2 2 B 4 4 GLU CA C 102 57.410 56.198 1.212 1
1 861 . 19 2 2 B 4 4 GLU N N 102 121.884 116.370 5.514 1
1 862 . 19 2 2 B 5 5 GLY H H 103 8.380 8.358 0.022 1
1 863 . 19 2 2 B 5 5 GLY HA2 H 103 4.003 3.945 0.058 1
1 864 . 19 2 2 B 5 5 GLY HA3 H 103 4.003 3.948 0.055 1
1 865 . 19 2 2 B 5 5 GLY C C 103 174.207 174.261 -0.054 1
1 866 . 19 2 2 B 5 5 GLY CA C 103 45.750 45.861 -0.111 1
1 867 . 19 2 2 B 5 5 GLY N N 103 110.055 110.219 -0.164 1
1 868 . 19 2 2 B 6 6 ILE H H 104 7.851 8.799 -0.948 1
1 869 . 19 2 2 B 6 6 ILE HA H 104 4.305 3.913 0.392 1
1 879 . 19 2 2 B 6 6 ILE C C 104 176.401 175.895 0.506 1
1 880 . 19 2 2 B 6 6 ILE CA C 104 61.558 62.297 -0.739 1
1 881 . 19 2 2 B 6 6 ILE CB C 104 39.436 36.650 2.786 1
1 885 . 19 2 2 B 6 6 ILE N N 104 119.606 120.644 -1.038 1
1 886 . 19 2 2 B 7 7 SER H H 105 8.369 8.635 -0.266 1
1 887 . 19 2 2 B 7 7 SER HA H 105 4.564 4.050 0.514 1
1 890 . 19 2 2 B 7 7 SER C C 105 174.550 173.299 1.251 1
1 891 . 19 2 2 B 7 7 SER CA C 105 58.667 59.017 -0.350 1
1 892 . 19 2 2 B 7 7 SER CB C 105 64.072 61.545 2.527 1
1 893 . 19 2 2 B 7 7 SER N N 105 119.853 121.048 -1.195 1
1 894 . 19 2 2 B 8 8 ILE H H 106 7.953 7.731 0.222 1
1 895 . 19 2 2 B 8 8 ILE HA H 106 4.224 4.617 -0.393 1
1 905 . 19 2 2 B 8 8 ILE C C 106 175.921 174.451 1.470 1
1 906 . 19 2 2 B 8 8 ILE CA C 106 61.935 58.914 3.021 1
1 907 . 19 2 2 B 8 8 ILE CB C 106 39.436 41.548 -2.112 1
1 911 . 19 2 2 B 8 8 ILE N N 106 121.730 124.773 -3.043 1
1 912 . 19 2 2 B 9 9 TYR H H 107 8.171 9.037 -0.866 1
1 913 . 19 2 2 B 9 9 TYR HA H 107 4.736 4.306 0.430 1
1 920 . 19 2 2 B 9 9 TYR C C 107 176.058 175.169 0.889 1
1 921 . 19 2 2 B 9 9 TYR CA C 107 58.165 58.596 -0.431 1
1 922 . 19 2 2 B 9 9 TYR CB C 107 39.436 38.520 0.916 1
1 925 . 19 2 2 B 9 9 TYR N N 107 123.598 126.302 -2.704 1
1 926 . 19 2 2 B 10 10 THR H H 108 7.986 7.919 0.067 1
1 927 . 19 2 2 B 10 10 THR HA H 108 4.452 3.932 0.520 1
1 932 . 19 2 2 B 10 10 THR C C 108 174.459 173.099 1.360 1
1 933 . 19 2 2 B 10 10 THR CA C 108 62.061 63.352 -1.291 1
1 934 . 19 2 2 B 10 10 THR CB C 108 70.608 66.840 3.768 1
1 936 . 19 2 2 B 10 10 THR N N 108 115.642 110.985 4.657 1
1 937 . 19 2 2 B 11 11 SER H H 109 8.193 7.636 0.557 1
1 938 . 19 2 2 B 11 11 SER HA H 109 4.526 5.142 -0.616 1
1 941 . 19 2 2 B 11 11 SER C C 109 174.504 171.821 2.683 1
1 942 . 19 2 2 B 11 11 SER CA C 109 58.919 57.520 1.399 1
1 943 . 19 2 2 B 11 11 SER CB C 109 64.198 67.201 -3.003 1
1 944 . 19 2 2 B 11 11 SER N N 109 117.597 115.333 2.264 1
1 945 . 19 2 2 B 12 12 ASP H H 110 8.351 8.875 -0.524 1
1 946 . 19 2 2 B 12 12 ASP HA H 110 4.650 5.201 -0.551 1
1 949 . 19 2 2 B 12 12 ASP C C 110 176.058 174.851 1.207 1
1 950 . 19 2 2 B 12 12 ASP CA C 110 55.022 53.238 1.784 1
1 951 . 19 2 2 B 12 12 ASP CB C 110 41.825 44.384 -2.559 1
1 952 . 19 2 2 B 12 12 ASP N N 110 122.020 123.325 -1.305 1
1 953 . 19 2 2 B 13 13 ASN H H 111 8.230 9.133 -0.903 1
1 954 . 19 2 2 B 13 13 ASN HA H 111 4.745 5.136 -0.391 1
1 957 . 19 2 2 B 13 13 ASN C C 111 175.030 174.919 0.111 1
1 958 . 19 2 2 B 13 13 ASN CA C 111 53.765 52.772 0.993 1
1 959 . 19 2 2 B 13 13 ASN CB C 111 39.562 39.658 -0.096 1
1 960 . 19 2 2 B 13 13 ASN N N 111 118.317 123.622 -5.305 1
1 961 . 19 2 2 B 14 14 TYR H H 112 8.101 8.379 -0.278 1
1 962 . 19 2 2 B 14 14 TYR HA H 112 4.645 4.834 -0.189 1
1 969 . 19 2 2 B 14 14 TYR C C 112 176.081 174.738 1.343 1
1 970 . 19 2 2 B 14 14 TYR CA C 112 58.793 59.236 -0.443 1
1 971 . 19 2 2 B 14 14 TYR CB C 112 39.436 40.205 -0.769 1
1 974 . 19 2 2 B 14 14 TYR N N 112 121.125 119.582 1.543 1
1 975 . 19 2 2 B 15 15 THR H H 113 7.900 7.574 0.326 1
1 976 . 19 2 2 B 15 15 THR HA H 113 4.332 4.727 -0.395 1
1 981 . 19 2 2 B 15 15 THR C C 113 174.413 173.399 1.014 1
1 982 . 19 2 2 B 15 15 THR CA C 113 62.187 61.782 0.405 1
1 983 . 19 2 2 B 15 15 THR CB C 113 70.341 70.392 -0.051 1
1 985 . 19 2 2 B 15 15 THR N N 113 116.394 110.684 5.710 1
1 986 . 19 2 2 B 16 16 GLU H H 114 8.283 8.924 -0.641 1
1 987 . 19 2 2 B 16 16 GLU HA H 114 4.275 4.595 -0.320 1
1 992 . 19 2 2 B 16 16 GLU C C 114 176.766 175.339 1.427 1
1 993 . 19 2 2 B 16 16 GLU CA C 114 57.410 56.207 1.203 1
1 994 . 19 2 2 B 16 16 GLU CB C 114 30.638 28.260 2.378 1
1 996 . 19 2 2 B 16 16 GLU N N 114 123.052 126.335 -3.283 1
1 997 . 19 2 2 B 17 17 GLU H H 115 8.370 7.710 0.660 1
1 998 . 19 2 2 B 17 17 GLU HA H 115 4.325 4.994 -0.669 1
1 1003 . 19 2 2 B 17 17 GLU C C 115 176.880 174.297 2.583 1
1 1004 . 19 2 2 B 17 17 GLU CA C 115 57.410 54.547 2.863 1
1 1005 . 19 2 2 B 17 17 GLU CB C 115 30.512 34.315 -3.803 1
1 1007 . 19 2 2 B 17 17 GLU N N 115 121.688 121.128 0.560 1
1 1008 . 19 2 2 B 18 18 MET H H 116 8.314 8.663 -0.349 1
1 1009 . 19 2 2 B 18 18 MET HA H 116 4.509 5.227 -0.718 1
1 1014 . 19 2 2 B 18 18 MET C C 116 177.086 174.853 2.233 1
1 1015 . 19 2 2 B 18 18 MET CA C 116 56.279 54.011 2.268 1
1 1016 . 19 2 2 B 18 18 MET CB C 116 33.026 35.900 -2.874 1
1 1017 . 19 2 2 B 18 18 MET N N 116 121.270 120.932 0.338 1
1 1018 . 19 2 2 B 19 19 GLY H H 117 8.384 8.462 -0.078 1
1 1019 . 19 2 2 B 19 19 GLY HA2 H 117 4.061 4.142 -0.081 1
1 1020 . 19 2 2 B 19 19 GLY HA3 H 117 4.061 4.142 -0.081 1
1 1021 . 19 2 2 B 19 19 GLY C C 117 174.481 172.201 2.280 1
1 1022 . 19 2 2 B 19 19 GLY CA C 117 45.847 45.761 0.086 1
1 1023 . 19 2 2 B 19 19 GLY N N 117 110.055 111.909 -1.854 1
1 1024 . 19 2 2 B 20 20 SER H H 118 8.250 8.873 -0.623 1
1 1025 . 19 2 2 B 20 20 SER HA H 118 4.495 5.215 -0.720 1
1 1028 . 19 2 2 B 20 20 SER C C 118 175.327 173.335 1.992 1
1 1029 . 19 2 2 B 20 20 SER CA C 118 58.919 56.517 2.402 1
1 1030 . 19 2 2 B 20 20 SER CB C 118 64.575 65.885 -1.310 1
1 1031 . 19 2 2 B 20 20 SER N N 118 115.664 119.818 -4.154 1
1 1032 . 19 2 2 B 21 21 GLY H H 119 8.429 8.739 -0.310 1
1 1033 . 19 2 2 B 21 21 GLY HA2 H 119 4.000 4.130 -0.130 1
1 1034 . 19 2 2 B 21 21 GLY HA3 H 119 4.000 4.133 -0.133 1
1 1035 . 19 2 2 B 21 21 GLY C C 119 174.002 172.834 1.168 1
1 1036 . 19 2 2 B 21 21 GLY CA C 119 45.721 44.309 1.412 1
1 1037 . 19 2 2 B 21 21 GLY N N 119 110.872 113.481 -2.609 1
1 1038 . 19 2 2 B 22 22 ASP H H 120 8.127 8.743 -0.616 1
1 1039 . 19 2 2 B 22 22 ASP HA H 120 4.634 5.287 -0.653 1
1 1042 . 19 2 2 B 22 22 ASP C C 120 176.355 175.518 0.837 1
1 1043 . 19 2 2 B 22 22 ASP CA C 120 54.771 52.438 2.333 1
1 1044 . 19 2 2 B 22 22 ASP CB C 120 41.699 44.931 -3.232 1
1 1045 . 19 2 2 B 22 22 ASP N N 120 120.530 119.452 1.078 1
1 1046 . 19 2 2 B 23 23 TYR H H 121 8.097 8.949 -0.852 1
1 1047 . 19 2 2 B 23 23 TYR HA H 121 4.555 4.508 0.047 1
1 1054 . 19 2 2 B 23 23 TYR C C 121 176.058 174.634 1.424 1
1 1055 . 19 2 2 B 23 23 TYR CA C 121 58.667 59.800 -1.133 1
1 1056 . 19 2 2 B 23 23 TYR CB C 121 39.311 40.454 -1.143 1
1 1059 . 19 2 2 B 23 23 TYR N N 121 120.584 119.880 0.704 1
1 1060 . 19 2 2 B 24 24 ASP H H 122 8.224 7.810 0.414 1
1 1061 . 19 2 2 B 24 24 ASP HA H 122 4.621 5.017 -0.396 1
1 1064 . 19 2 2 B 24 24 ASP C C 122 176.835 174.330 2.505 1
1 1065 . 19 2 2 B 24 24 ASP CA C 122 55.022 53.840 1.182 1
1 1066 . 19 2 2 B 24 24 ASP CB C 122 41.825 44.653 -2.828 1
1 1067 . 19 2 2 B 24 24 ASP N N 122 121.815 118.550 3.265 1
1 1068 . 19 2 2 B 25 25 SER H H 123 8.137 8.582 -0.445 1
1 1069 . 19 2 2 B 25 25 SER HA H 123 4.394 4.653 -0.259 1
1 1072 . 19 2 2 B 25 25 SER C C 123 175.075 174.579 0.496 1
1 1073 . 19 2 2 B 25 25 SER CA C 123 59.547 58.833 0.714 1
1 1074 . 19 2 2 B 25 25 SER CB C 123 63.540 63.516 0.024 1
1 1075 . 19 2 2 B 25 25 SER N N 123 116.405 118.679 -2.274 1
1 1076 . 19 2 2 B 26 26 MET H H 124 8.221 8.585 -0.364 1
1 1077 . 19 2 2 B 26 26 MET HA H 124 4.500 5.264 -0.764 1
1 1082 . 19 2 2 B 26 26 MET C C 124 176.355 176.159 0.196 1
1 1083 . 19 2 2 B 26 26 MET CA C 124 56.279 53.371 2.908 1
1 1084 . 19 2 2 B 26 26 MET CB C 124 32.900 35.202 -2.302 1
1 1086 . 19 2 2 B 26 26 MET N N 124 121.210 122.529 -1.319 1
1 1087 . 19 2 2 B 27 27 LYS H H 125 7.991 8.747 -0.756 1
1 1088 . 19 2 2 B 27 27 LYS HA H 125 4.352 4.603 -0.251 1
1 1097 . 19 2 2 B 27 27 LYS C C 125 176.355 176.194 0.161 1
1 1098 . 19 2 2 B 27 27 LYS CA C 125 56.656 55.044 1.612 1
1 1099 . 19 2 2 B 27 27 LYS CB C 125 33.529 33.204 0.325 1
1 1103 . 19 2 2 B 27 27 LYS N N 125 121.457 119.079 2.378 1
1 1104 . 19 2 2 B 28 28 GLU H H 126 8.216 7.999 0.217 1
1 1105 . 19 2 2 B 28 28 GLU N N 126 122.890 116.198 6.692 1
1 1106 . 19 2 2 B 29 29 PRO HA H 127 4.396 4.710 -0.314 1
1 1113 . 19 2 2 B 29 29 PRO C C 127 176.812 176.187 0.625 1
1 1114 . 19 2 2 B 29 29 PRO CA C 127 63.821 62.352 1.469 1
1 1115 . 19 2 2 B 29 29 PRO CB C 127 32.272 32.415 -0.143 1
1 1118 . 19 2 2 B 30 30 ALA H H 128 8.282 8.448 -0.166 1
1 1119 . 19 2 2 B 30 30 ALA HA H 128 4.316 4.469 -0.153 1
1 1123 . 19 2 2 B 30 30 ALA C C 128 177.589 178.110 -0.521 1
1 1124 . 19 2 2 B 30 30 ALA CA C 128 53.192 50.610 2.582 1
1 1125 . 19 2 2 B 30 30 ALA CB C 128 19.703 19.370 0.333 1
1 1126 . 19 2 2 B 30 30 ALA N N 128 123.577 122.816 0.761 1
1 1127 . 19 2 2 B 31 31 PHE H H 129 8.035 8.048 -0.013 1
1 1128 . 19 2 2 B 31 31 PHE HA H 129 4.637 4.182 0.455 1
1 1135 . 19 2 2 B 31 31 PHE C C 129 175.624 174.617 1.007 1
1 1136 . 19 2 2 B 31 31 PHE CA C 129 58.039 61.381 -3.342 1
1 1137 . 19 2 2 B 31 31 PHE CB C 129 40.065 37.431 2.634 1
1 1140 . 19 2 2 B 31 31 PHE N N 129 118.994 113.373 5.621 1
1 1141 . 19 2 2 B 32 32 ARG H H 130 8.066 7.842 0.224 1
1 1142 . 19 2 2 B 32 32 ARG HA H 130 4.351 4.902 -0.551 1
1 1149 . 19 2 2 B 32 32 ARG C C 130 175.875 174.413 1.462 1
1 1150 . 19 2 2 B 32 32 ARG CA C 130 56.154 54.029 2.125 1
1 1151 . 19 2 2 B 32 32 ARG CB C 130 31.643 34.139 -2.496 1
1 1154 . 19 2 2 B 32 32 ARG N N 130 123.094 115.536 7.558 1
1 1155 . 19 2 2 B 33 33 GLU H H 131 8.389 8.766 -0.377 1
1 1156 . 19 2 2 B 33 33 GLU HA H 131 4.295 4.938 -0.643 1
1 1161 . 19 2 2 B 33 33 GLU C C 131 176.766 174.917 1.849 1
1 1162 . 19 2 2 B 33 33 GLU CA C 131 57.285 54.971 2.314 1
1 1163 . 19 2 2 B 33 33 GLU CB C 131 30.512 32.329 -1.817 1
1 1165 . 19 2 2 B 33 33 GLU N N 131 122.719 118.499 4.220 1
1 1166 . 19 2 2 B 34 34 GLU H H 132 8.526 8.779 -0.253 1
1 1167 . 19 2 2 B 34 34 GLU HA H 132 4.321 4.399 -0.078 1
1 1172 . 19 2 2 B 34 34 GLU C C 132 176.560 174.380 2.180 1
1 1173 . 19 2 2 B 34 34 GLU CA C 132 57.400 57.350 0.050 1
1 1174 . 19 2 2 B 34 34 GLU CB C 132 30.512 28.697 1.815 1
1 1176 . 19 2 2 B 34 34 GLU N N 132 122.122 119.490 2.632 1
1 1177 . 19 2 2 B 35 35 ASN H H 133 8.379 8.538 -0.159 1
1 1178 . 19 2 2 B 35 35 ASN HA H 133 4.712 5.496 -0.784 1
1 1181 . 19 2 2 B 35 35 ASN C C 133 175.258 173.295 1.963 1
1 1182 . 19 2 2 B 35 35 ASN CA C 133 53.765 52.088 1.677 1
1 1183 . 19 2 2 B 35 35 ASN CB C 133 39.562 40.903 -1.341 1
1 1184 . 19 2 2 B 35 35 ASN N N 133 119.552 121.751 -2.199 1
1 1185 . 19 2 2 B 36 36 ALA H H 134 8.175 8.719 -0.544 1
1 1186 . 19 2 2 B 36 36 ALA HA H 134 4.308 4.358 -0.050 1
1 1190 . 19 2 2 B 36 36 ALA C C 134 177.520 176.187 1.333 1
1 1191 . 19 2 2 B 36 36 ALA CA C 134 53.192 51.999 1.193 1
1 1192 . 19 2 2 B 36 36 ALA CB C 134 19.703 18.418 1.285 1
1 1193 . 19 2 2 B 36 36 ALA N N 134 124.376 128.561 -4.185 1
1 1194 . 19 2 2 B 37 37 ASN H H 135 8.238 8.020 0.218 1
1 1195 . 19 2 2 B 37 37 ASN HA H 135 4.713 5.537 -0.824 1
1 1198 . 19 2 2 B 37 37 ASN C C 135 175.144 174.007 1.137 1
1 1199 . 19 2 2 B 37 37 ASN CA C 135 53.640 51.861 1.779 1
1 1200 . 19 2 2 B 37 37 ASN CB C 135 39.311 42.353 -3.042 1
1 1201 . 19 2 2 B 37 37 ASN N N 135 117.103 122.103 -5.000 1
1 1202 . 19 2 2 B 38 38 PHE H H 136 7.997 8.929 -0.932 1
1 1203 . 19 2 2 B 38 38 PHE HA H 136 4.678 4.976 -0.298 1
1 1210 . 19 2 2 B 38 38 PHE C C 136 175.601 175.613 -0.012 1
1 1211 . 19 2 2 B 38 38 PHE CA C 136 58.165 56.956 1.209 1
1 1212 . 19 2 2 B 38 38 PHE CB C 136 39.939 43.568 -3.629 1
1 1215 . 19 2 2 B 38 38 PHE N N 136 120.229 121.027 -0.798 1
1 1216 . 19 2 2 B 39 39 ASN H H 137 8.272 9.095 -0.823 1
1 1217 . 19 2 2 B 39 39 ASN HA H 137 4.752 4.455 0.297 1
1 1220 . 19 2 2 B 39 39 ASN C C 137 174.047 174.765 -0.718 1
1 1221 . 19 2 2 B 39 39 ASN CA C 137 53.891 56.218 -2.327 1
1 1222 . 19 2 2 B 39 39 ASN CB C 137 39.688 39.019 0.669 1
1 1223 . 19 2 2 B 39 39 ASN N N 137 120.594 119.981 0.613 1
1 3 . 20 1 1 A 4 4 PRO HA H 2 4.509 4.812 -0.303 1
1 10 . 20 1 1 A 4 4 PRO C C 2 177.132 175.347 1.785 1
1 11 . 20 1 1 A 4 4 PRO CA C 2 63.529 62.414 1.115 1
1 12 . 20 1 1 A 4 4 PRO CB C 2 32.476 29.900 2.576 1
1 15 . 20 1 1 A 5 5 VAL H H 3 8.201 7.936 0.265 1
1 16 . 20 1 1 A 5 5 VAL HA H 3 4.152 4.493 -0.341 1
1 24 . 20 1 1 A 5 5 VAL C C 3 176.423 173.897 2.526 1
1 25 . 20 1 1 A 5 5 VAL CA C 3 62.873 61.053 1.820 1
1 26 . 20 1 1 A 5 5 VAL CB C 3 33.455 32.272 1.183 1
1 28 . 20 1 1 A 5 5 VAL N N 3 120.488 124.135 -3.647 1
1 29 . 20 1 1 A 6 6 SER H H 4 8.276 8.673 -0.397 1
1 30 . 20 1 1 A 6 6 SER HA H 4 4.494 4.912 -0.418 1
1 33 . 20 1 1 A 6 6 SER C C 4 174.687 172.336 2.351 1
1 34 . 20 1 1 A 6 6 SER CA C 4 58.375 57.294 1.081 1
1 35 . 20 1 1 A 6 6 SER CB C 4 64.295 67.482 -3.187 1
1 36 . 20 1 1 A 6 6 SER N N 4 119.000 123.621 -4.621 1
1 37 . 20 1 1 A 7 7 LEU H H 5 8.238 8.286 -0.048 1
1 38 . 20 1 1 A 7 7 LEU HA H 5 4.406 4.802 -0.396 1
1 44 . 20 1 1 A 7 7 LEU C C 5 177.406 176.123 1.283 1
1 45 . 20 1 1 A 7 7 LEU CA C 5 55.766 53.756 2.010 1
1 46 . 20 1 1 A 7 7 LEU CB C 5 43.083 43.063 0.020 1
1 48 . 20 1 1 A 7 7 LEU N N 5 124.704 120.228 4.476 1
1 49 . 20 1 1 A 8 8 SER H H 6 8.148 8.836 -0.688 1
1 50 . 20 1 1 A 8 8 SER HA H 6 4.438 4.685 -0.247 1
1 53 . 20 1 1 A 8 8 SER C C 6 174.321 173.789 0.532 1
1 54 . 20 1 1 A 8 8 SER CA C 6 58.718 57.340 1.378 1
1 55 . 20 1 1 A 8 8 SER CB C 6 64.295 65.621 -1.326 1
1 56 . 20 1 1 A 8 8 SER N N 6 115.960 118.470 -2.510 1
1 57 . 20 1 1 A 9 9 TYR H H 7 7.954 8.828 -0.874 1
1 58 . 20 1 1 A 9 9 TYR HA H 7 4.585 4.844 -0.259 1
1 65 . 20 1 1 A 9 9 TYR C C 7 175.532 175.529 0.003 1
1 66 . 20 1 1 A 9 9 TYR CA C 7 58.335 57.330 1.005 1
1 67 . 20 1 1 A 9 9 TYR CB C 7 39.474 38.024 1.450 1
1 70 . 20 1 1 A 9 9 TYR N N 7 121.884 121.348 0.536 1
1 71 . 20 1 1 A 10 10 ARG H H 8 8.117 8.541 -0.424 1
1 72 . 20 1 1 A 10 10 ARG HA H 8 4.349 5.010 -0.661 1
1 79 . 20 1 1 A 10 10 ARG C C 8 175.898 174.351 1.547 1
1 80 . 20 1 1 A 10 10 ARG CA C 8 56.048 54.512 1.536 1
1 81 . 20 1 1 A 10 10 ARG CB C 8 31.492 33.130 -1.638 1
1 84 . 20 1 1 A 10 10 ARG N N 8 121.977 120.617 1.360 1
1 85 . 20 1 1 A 11 11 CYS H H 9 8.127 8.739 -0.612 1
1 86 . 20 1 1 A 11 11 CYS HA H 9 5.004 5.011 -0.007 1
1 89 . 20 1 1 A 11 11 CYS C C 9 177.771 173.706 4.065 1
1 90 . 20 1 1 A 11 11 CYS CA C 9 53.192 53.473 -0.281 1
1 91 . 20 1 1 A 11 11 CYS CB C 9 40.897 44.165 -3.268 1
1 92 . 20 1 1 A 11 11 CYS N N 9 121.209 123.333 -2.124 1
1 93 . 20 1 1 A 12 12 PRO HA H 10 4.340 4.320 0.020 1
1 100 . 20 1 1 A 12 12 PRO CA C 10 65.478 64.436 1.042 1
1 101 . 20 1 1 A 12 12 PRO CB C 10 32.904 31.721 1.183 1
1 104 . 20 1 1 A 13 13 CYS H H 11 8.662 8.303 0.359 1
1 105 . 20 1 1 A 13 13 CYS C C 11 174.618 173.673 0.945 1
1 106 . 20 1 1 A 13 13 CYS N N 11 114.595 115.958 -1.363 1
1 107 . 20 1 1 A 14 14 ARG H H 12 8.236 8.442 -0.206 1
1 108 . 20 1 1 A 14 14 ARG HA H 12 4.075 4.242 -0.167 1
1 115 . 20 1 1 A 14 14 ARG C C 12 175.098 176.052 -0.954 1
1 116 . 20 1 1 A 14 14 ARG CA C 12 57.370 58.150 -0.780 1
1 117 . 20 1 1 A 14 14 ARG CB C 12 31.631 31.318 0.313 1
1 120 . 20 1 1 A 14 14 ARG N N 12 122.779 126.247 -3.468 1
1 121 . 20 1 1 A 15 15 PHE H H 13 7.603 7.642 -0.039 1
1 122 . 20 1 1 A 15 15 PHE HA H 13 4.515 5.218 -0.703 1
1 129 . 20 1 1 A 15 15 PHE C C 13 174.162 173.737 0.425 1
1 130 . 20 1 1 A 15 15 PHE CA C 13 56.289 55.611 0.678 1
1 131 . 20 1 1 A 15 15 PHE CB C 13 41.320 42.486 -1.166 1
1 134 . 20 1 1 A 15 15 PHE N N 13 116.797 113.352 3.445 1
1 135 . 20 1 1 A 16 16 PHE H H 14 8.112 8.770 -0.658 1
1 136 . 20 1 1 A 16 16 PHE HA H 14 4.783 5.536 -0.753 1
1 143 . 20 1 1 A 16 16 PHE C C 14 175.441 174.547 0.894 1
1 144 . 20 1 1 A 16 16 PHE CA C 14 55.767 55.395 0.372 1
1 145 . 20 1 1 A 16 16 PHE CB C 14 41.320 41.387 -0.067 1
1 148 . 20 1 1 A 16 16 PHE N N 14 118.930 118.004 0.926 1
1 149 . 20 1 1 A 17 17 GLU H H 15 8.820 9.549 -0.729 1
1 150 . 20 1 1 A 17 17 GLU HA H 15 4.616 4.574 0.042 1
1 155 . 20 1 1 A 17 17 GLU C C 15 176.857 175.980 0.877 1
1 156 . 20 1 1 A 17 17 GLU CA C 15 56.289 56.227 0.062 1
1 157 . 20 1 1 A 17 17 GLU CB C 15 31.173 30.159 1.014 1
1 159 . 20 1 1 A 17 17 GLU N N 15 122.825 122.905 -0.080 1
1 160 . 20 1 1 A 18 18 SER H H 16 8.746 8.748 -0.002 1
1 161 . 20 1 1 A 18 18 SER HA H 16 4.759 4.585 0.174 1
1 164 . 20 1 1 A 18 18 SER C C 16 177.497 175.093 2.404 1
1 165 . 20 1 1 A 18 18 SER CA C 16 59.328 60.893 -1.565 1
1 166 . 20 1 1 A 18 18 SER CB C 16 64.515 63.637 0.878 1
1 167 . 20 1 1 A 18 18 SER N N 16 118.860 121.092 -2.232 1
1 168 . 20 1 1 A 19 19 HIS H H 17 8.761 8.355 0.406 1
1 169 . 20 1 1 A 19 19 HIS HA H 17 4.859 4.895 -0.036 1
1 174 . 20 1 1 A 19 19 HIS C C 17 174.618 174.399 0.219 1
1 175 . 20 1 1 A 19 19 HIS CA C 17 56.449 55.241 1.208 1
1 176 . 20 1 1 A 19 19 HIS CB C 17 29.870 28.231 1.639 1
1 179 . 20 1 1 A 19 19 HIS N N 17 120.535 118.361 2.174 1
1 180 . 20 1 1 A 20 20 VAL H H 18 7.211 9.022 -1.811 1
1 181 . 20 1 1 A 20 20 VAL HA H 18 4.160 4.608 -0.448 1
1 189 . 20 1 1 A 20 20 VAL C C 18 174.436 175.099 -0.663 1
1 190 . 20 1 1 A 20 20 VAL CA C 18 62.167 60.687 1.480 1
1 191 . 20 1 1 A 20 20 VAL CB C 18 34.426 33.930 0.496 1
1 193 . 20 1 1 A 20 20 VAL N N 18 120.872 124.715 -3.843 1
1 194 . 20 1 1 A 21 21 ALA H H 19 8.535 8.795 -0.260 1
1 195 . 20 1 1 A 21 21 ALA HA H 19 4.402 4.131 0.271 1
1 199 . 20 1 1 A 21 21 ALA C C 19 177.657 178.070 -0.413 1
1 200 . 20 1 1 A 21 21 ALA CA C 19 51.193 52.188 -0.995 1
1 201 . 20 1 1 A 21 21 ALA CB C 19 19.790 18.801 0.989 1
1 202 . 20 1 1 A 21 21 ALA N N 19 131.339 126.689 4.650 1
1 203 . 20 1 1 A 22 22 ARG H H 20 7.815 8.118 -0.303 1
1 204 . 20 1 1 A 22 22 ARG HA H 20 2.495 3.039 -0.544 1
1 211 . 20 1 1 A 22 22 ARG C C 20 178.365 176.909 1.456 1
1 212 . 20 1 1 A 22 22 ARG CA C 20 59.379 57.731 1.648 1
1 213 . 20 1 1 A 22 22 ARG CB C 20 29.572 29.338 0.234 1
1 216 . 20 1 1 A 22 22 ARG N N 20 124.365 123.966 0.399 1
1 217 . 20 1 1 A 23 23 ALA H H 21 8.135 7.412 0.723 1
1 218 . 20 1 1 A 23 23 ALA HA H 21 4.070 4.120 -0.050 1
1 222 . 20 1 1 A 23 23 ALA C C 21 178.000 177.646 0.354 1
1 223 . 20 1 1 A 23 23 ALA CA C 21 54.100 53.122 0.978 1
1 224 . 20 1 1 A 23 23 ALA CB C 21 18.713 18.813 -0.100 1
1 225 . 20 1 1 A 23 23 ALA N N 21 117.156 121.165 -4.009 1
1 226 . 20 1 1 A 24 24 ASN H H 22 7.712 8.047 -0.335 1
1 227 . 20 1 1 A 24 24 ASN HA H 22 5.008 4.858 0.150 1
1 232 . 20 1 1 A 24 24 ASN C C 22 174.938 174.772 0.166 1
1 233 . 20 1 1 A 24 24 ASN CA C 22 52.869 52.444 0.425 1
1 234 . 20 1 1 A 24 24 ASN CB C 22 40.573 38.856 1.717 1
1 235 . 20 1 1 A 24 24 ASN N N 22 112.819 115.244 -2.425 1
1 237 . 20 1 1 A 25 25 VAL H H 23 7.508 7.371 0.137 1
1 238 . 20 1 1 A 25 25 VAL HA H 23 4.896 4.379 0.517 1
1 246 . 20 1 1 A 25 25 VAL C C 23 175.829 175.036 0.793 1
1 247 . 20 1 1 A 25 25 VAL CA C 23 59.870 60.087 -0.217 1
1 248 . 20 1 1 A 25 25 VAL CB C 23 35.396 33.922 1.474 1
1 251 . 20 1 1 A 25 25 VAL N N 23 119.721 119.852 -0.131 1
1 252 . 20 1 1 A 26 26 LYS H H 24 9.483 9.113 0.370 1
1 253 . 20 1 1 A 26 26 LYS HA H 24 4.350 4.397 -0.047 1
1 262 . 20 1 1 A 26 26 LYS C C 24 176.606 176.301 0.305 1
1 263 . 20 1 1 A 26 26 LYS CA C 24 58.977 56.828 2.149 1
1 264 . 20 1 1 A 26 26 LYS CB C 24 34.567 33.629 0.938 1
1 268 . 20 1 1 A 26 26 LYS N N 24 128.029 125.146 2.883 1
1 269 . 20 1 1 A 27 27 HIS H H 25 7.223 7.730 -0.507 1
1 270 . 20 1 1 A 27 27 HIS HA H 25 4.979 4.875 0.104 1
1 275 . 20 1 1 A 27 27 HIS C C 25 178.434 172.521 5.913 1
1 276 . 20 1 1 A 27 27 HIS CA C 25 55.406 54.749 0.657 1
1 277 . 20 1 1 A 27 27 HIS CB C 25 32.904 31.033 1.871 1
1 280 . 20 1 1 A 27 27 HIS N N 25 109.556 113.857 -4.301 1
1 281 . 20 1 1 A 28 28 LEU H H 26 8.149 8.677 -0.528 1
1 282 . 20 1 1 A 28 28 LEU HA H 26 5.190 5.155 0.035 1
1 292 . 20 1 1 A 28 28 LEU C C 26 175.510 175.195 0.315 1
1 293 . 20 1 1 A 28 28 LEU CA C 26 53.480 53.377 0.103 1
1 294 . 20 1 1 A 28 28 LEU CB C 26 45.235 45.083 0.152 1
1 298 . 20 1 1 A 28 28 LEU N N 26 117.106 119.852 -2.746 1
1 299 . 20 1 1 A 29 29 LYS H H 27 9.578 9.125 0.453 1
1 300 . 20 1 1 A 29 29 LYS HA H 27 5.385 4.896 0.489 1
1 309 . 20 1 1 A 29 29 LYS C C 27 174.801 175.071 -0.270 1
1 310 . 20 1 1 A 29 29 LYS CA C 27 55.165 54.631 0.534 1
1 311 . 20 1 1 A 29 29 LYS CB C 27 35.253 34.664 0.589 1
1 315 . 20 1 1 A 29 29 LYS N N 27 123.488 123.995 -0.507 1
1 316 . 20 1 1 A 30 30 ILE H H 28 9.133 9.000 0.133 1
1 317 . 20 1 1 A 30 30 ILE HA H 28 4.925 5.046 -0.121 1
1 327 . 20 1 1 A 30 30 ILE C C 28 176.949 175.295 1.654 1
1 328 . 20 1 1 A 30 30 ILE CA C 28 60.542 59.873 0.669 1
1 329 . 20 1 1 A 30 30 ILE CB C 28 39.600 38.974 0.626 1
1 333 . 20 1 1 A 30 30 ILE N N 28 123.846 128.536 -4.690 1
1 334 . 20 1 1 A 31 31 LEU H H 29 8.830 9.120 -0.290 1
1 335 . 20 1 1 A 31 31 LEU HA H 29 4.533 5.143 -0.610 1
1 344 . 20 1 1 A 31 31 LEU C C 29 176.012 174.682 1.330 1
1 345 . 20 1 1 A 31 31 LEU CA C 29 55.406 52.953 2.453 1
1 346 . 20 1 1 A 31 31 LEU CB C 29 43.180 45.969 -2.789 1
1 349 . 20 1 1 A 31 31 LEU N N 29 128.649 124.778 3.871 1
1 350 . 20 1 1 A 32 32 ASN H H 30 8.211 8.932 -0.721 1
1 351 . 20 1 1 A 32 32 ASN HA H 30 5.014 5.318 -0.304 1
1 356 . 20 1 1 A 32 32 ASN C C 30 174.664 173.209 1.455 1
1 357 . 20 1 1 A 32 32 ASN CA C 30 52.517 51.773 0.744 1
1 358 . 20 1 1 A 32 32 ASN CB C 30 38.776 40.980 -2.204 1
1 359 . 20 1 1 A 32 32 ASN N N 30 120.791 120.728 0.063 1
1 361 . 20 1 1 A 33 33 THR H H 31 7.896 8.659 -0.763 1
1 362 . 20 1 1 A 33 33 THR HA H 31 4.842 4.902 -0.060 1
1 367 . 20 1 1 A 33 33 THR CA C 31 58.369 57.857 0.512 1
1 368 . 20 1 1 A 33 33 THR CB C 31 70.011 70.703 -0.692 1
1 370 . 20 1 1 A 33 33 THR N N 31 115.811 120.699 -4.888 1
1 371 . 20 1 1 A 34 34 PRO HA H 32 4.317 4.369 -0.052 1
1 378 . 20 1 1 A 34 34 PRO CA C 32 65.164 64.819 0.345 1
1 379 . 20 1 1 A 34 34 PRO CB C 32 32.484 31.939 0.545 1
1 382 . 20 1 1 A 35 35 ASN H H 33 8.256 8.404 -0.148 1
1 383 . 20 1 1 A 35 35 ASN HA H 33 4.651 4.846 -0.195 1
1 388 . 20 1 1 A 35 35 ASN C C 33 174.710 174.642 0.068 1
1 389 . 20 1 1 A 35 35 ASN CA C 33 54.532 52.995 1.537 1
1 390 . 20 1 1 A 35 35 ASN CB C 33 39.167 38.753 0.414 1
1 391 . 20 1 1 A 35 35 ASN N N 33 120.081 114.581 5.500 1
1 393 . 20 1 1 A 36 36 CYS H H 34 7.548 7.740 -0.192 1
1 394 . 20 1 1 A 36 36 CYS HA H 34 4.693 4.992 -0.299 1
1 397 . 20 1 1 A 36 36 CYS C C 34 173.865 172.757 1.108 1
1 398 . 20 1 1 A 36 36 CYS CA C 34 55.447 54.800 0.647 1
1 399 . 20 1 1 A 36 36 CYS CB C 34 45.228 47.758 -2.530 1
1 400 . 20 1 1 A 36 36 CYS N N 34 117.076 116.102 0.974 1
1 401 . 20 1 1 A 37 37 ALA H H 35 8.469 8.473 -0.004 1
1 402 . 20 1 1 A 37 37 ALA HA H 35 4.252 4.290 -0.038 1
1 406 . 20 1 1 A 37 37 ALA C C 35 176.423 177.218 -0.795 1
1 407 . 20 1 1 A 37 37 ALA CA C 35 53.537 51.781 1.756 1
1 408 . 20 1 1 A 37 37 ALA CB C 35 19.202 20.213 -1.011 1
1 409 . 20 1 1 A 37 37 ALA N N 35 125.153 124.885 0.268 1
1 410 . 20 1 1 A 38 38 CYS H H 36 8.315 8.351 -0.036 1
1 411 . 20 1 1 A 38 38 CYS HA H 36 4.211 4.247 -0.036 1
1 414 . 20 1 1 A 38 38 CYS C C 36 173.705 174.369 -0.664 1
1 415 . 20 1 1 A 38 38 CYS CA C 36 58.616 59.786 -1.170 1
1 416 . 20 1 1 A 38 38 CYS CB C 36 45.705 27.883 17.822 1
1 417 . 20 1 1 A 38 38 CYS N N 36 118.837 118.263 0.574 1
1 418 . 20 1 1 A 39 39 GLN H H 37 8.926 8.511 0.415 1
1 419 . 20 1 1 A 39 39 GLN HA H 37 4.609 4.970 -0.361 1
1 426 . 20 1 1 A 39 39 GLN C C 37 173.636 174.733 -1.097 1
1 427 . 20 1 1 A 39 39 GLN CA C 37 54.603 54.626 -0.023 1
1 428 . 20 1 1 A 39 39 GLN CB C 37 31.761 31.299 0.462 1
1 430 . 20 1 1 A 39 39 GLN N N 37 128.567 125.649 2.918 1
1 432 . 20 1 1 A 40 40 ILE H H 38 8.874 8.971 -0.097 1
1 433 . 20 1 1 A 40 40 ILE HA H 38 5.093 5.238 -0.145 1
1 443 . 20 1 1 A 40 40 ILE C C 38 174.390 174.491 -0.101 1
1 444 . 20 1 1 A 40 40 ILE CA C 38 60.582 60.122 0.460 1
1 445 . 20 1 1 A 40 40 ILE CB C 38 40.048 40.753 -0.705 1
1 449 . 20 1 1 A 40 40 ILE N N 38 123.962 124.348 -0.386 1
1 450 . 20 1 1 A 41 41 VAL H H 39 9.120 9.284 -0.164 1
1 451 . 20 1 1 A 41 41 VAL HA H 39 4.905 4.795 0.110 1
1 459 . 20 1 1 A 41 41 VAL C C 39 175.487 174.894 0.593 1
1 460 . 20 1 1 A 41 41 VAL CA C 39 59.980 61.299 -1.319 1
1 461 . 20 1 1 A 41 41 VAL CB C 39 35.868 33.329 2.539 1
1 464 . 20 1 1 A 41 41 VAL N N 39 126.354 129.038 -2.684 1
1 465 . 20 1 1 A 42 42 ALA H H 40 9.513 9.668 -0.155 1
1 466 . 20 1 1 A 42 42 ALA HA H 40 5.154 5.510 -0.356 1
1 470 . 20 1 1 A 42 42 ALA C C 40 175.944 175.914 0.030 1
1 471 . 20 1 1 A 42 42 ALA CA C 40 50.591 49.997 0.594 1
1 472 . 20 1 1 A 42 42 ALA CB C 40 22.432 22.020 0.412 1
1 473 . 20 1 1 A 42 42 ALA N N 40 128.406 129.476 -1.070 1
1 474 . 20 1 1 A 43 43 ARG H H 41 7.706 8.227 -0.521 1
1 475 . 20 1 1 A 43 43 ARG HA H 41 4.978 4.741 0.237 1
1 482 . 20 1 1 A 43 43 ARG C C 41 175.510 176.143 -0.633 1
1 483 . 20 1 1 A 43 43 ARG CA C 41 54.162 55.621 -1.459 1
1 484 . 20 1 1 A 43 43 ARG CB C 41 31.200 31.731 -0.531 1
1 487 . 20 1 1 A 43 43 ARG N N 41 121.663 123.060 -1.397 1
1 488 . 20 1 1 A 44 44 LEU H H 42 9.164 8.607 0.557 1
1 489 . 20 1 1 A 44 44 LEU HA H 42 5.023 4.558 0.465 1
1 499 . 20 1 1 A 44 44 LEU C C 42 177.840 178.481 -0.641 1
1 500 . 20 1 1 A 44 44 LEU CA C 42 54.724 55.366 -0.642 1
1 501 . 20 1 1 A 44 44 LEU CB C 42 41.712 41.891 -0.179 1
1 505 . 20 1 1 A 44 44 LEU N N 42 129.087 125.799 3.288 1
1 506 . 20 1 1 A 45 45 LYS H H 43 8.414 9.379 -0.965 1
1 507 . 20 1 1 A 45 45 LYS HA H 43 3.954 3.970 -0.016 1
1 516 . 20 1 1 A 45 45 LYS CA C 43 59.016 59.302 -0.286 1
1 517 . 20 1 1 A 45 45 LYS CB C 43 34.102 32.395 1.707 1
1 520 . 20 1 1 A 45 45 LYS N N 43 119.674 121.757 -2.083 1
1 521 . 20 1 1 A 48 48 ASN HA H 46 4.723 5.035 -0.312 1
1 526 . 20 1 1 A 48 48 ASN C C 46 175.098 175.259 -0.161 1
1 527 . 20 1 1 A 48 48 ASN CA C 46 54.764 54.288 0.476 1
1 528 . 20 1 1 A 48 48 ASN CB C 46 39.265 41.098 -1.833 1
1 530 . 20 1 1 A 49 49 ARG H H 47 7.914 7.867 0.047 1
1 531 . 20 1 1 A 49 49 ARG HA H 47 4.352 4.757 -0.405 1
1 538 . 20 1 1 A 49 49 ARG C C 47 175.601 174.582 1.019 1
1 539 . 20 1 1 A 49 49 ARG CA C 47 57.051 54.864 2.187 1
1 540 . 20 1 1 A 49 49 ARG CB C 47 32.121 32.919 -0.798 1
1 543 . 20 1 1 A 49 49 ARG N N 47 119.826 113.733 6.093 1
1 544 . 20 1 1 A 50 50 GLN H H 48 8.542 8.634 -0.092 1
1 545 . 20 1 1 A 50 50 GLN HA H 48 5.495 4.872 0.623 1
1 552 . 20 1 1 A 50 50 GLN C C 48 175.578 175.657 -0.079 1
1 553 . 20 1 1 A 50 50 GLN CA C 48 55.125 54.896 0.229 1
1 554 . 20 1 1 A 50 50 GLN CB C 48 32.121 30.709 1.412 1
1 556 . 20 1 1 A 50 50 GLN N N 48 120.767 119.366 1.401 1
1 558 . 20 1 1 A 51 51 VAL H H 49 8.649 9.303 -0.654 1
1 559 . 20 1 1 A 51 51 VAL HA H 49 4.833 4.792 0.041 1
1 567 . 20 1 1 A 51 51 VAL C C 49 175.258 173.657 1.601 1
1 568 . 20 1 1 A 51 51 VAL CA C 49 59.338 59.115 0.223 1
1 569 . 20 1 1 A 51 51 VAL CB C 49 36.155 35.203 0.952 1
1 572 . 20 1 1 A 51 51 VAL N N 49 116.678 113.982 2.696 1
1 573 . 20 1 1 A 52 52 CYS H H 50 9.099 8.931 0.168 1
1 574 . 20 1 1 A 52 52 CYS HA H 50 5.308 5.427 -0.119 1
1 577 . 20 1 1 A 52 52 CYS C C 50 174.527 172.598 1.929 1
1 578 . 20 1 1 A 52 52 CYS CA C 50 58.054 54.126 3.928 1
1 579 . 20 1 1 A 52 52 CYS CB C 50 43.375 45.628 -2.253 1
1 580 . 20 1 1 A 52 52 CYS N N 50 124.549 121.058 3.491 1
1 581 . 20 1 1 A 53 53 ILE H H 51 8.479 9.863 -1.384 1
1 582 . 20 1 1 A 53 53 ILE HA H 51 4.974 5.043 -0.069 1
1 592 . 20 1 1 A 53 53 ILE C C 51 173.019 174.920 -1.901 1
1 593 . 20 1 1 A 53 53 ILE CA C 51 58.897 59.983 -1.086 1
1 594 . 20 1 1 A 53 53 ILE CB C 51 42.201 40.710 1.491 1
1 598 . 20 1 1 A 53 53 ILE N N 51 122.581 127.699 -5.118 1
1 599 . 20 1 1 A 54 54 ASP H H 52 7.642 8.068 -0.426 1
1 600 . 20 1 1 A 54 54 ASP HA H 52 3.619 4.625 -1.006 1
1 603 . 20 1 1 A 54 54 ASP CA C 52 51.574 51.776 -0.202 1
1 604 . 20 1 1 A 54 54 ASP CB C 52 42.515 42.000 0.515 1
1 605 . 20 1 1 A 54 54 ASP N N 52 125.772 126.130 -0.358 1
1 606 . 20 1 1 A 55 55 PRO HA H 53 4.023 4.426 -0.403 1
1 613 . 20 1 1 A 55 55 PRO C C 53 176.126 176.476 -0.350 1
1 614 . 20 1 1 A 55 55 PRO CA C 53 63.993 63.850 0.143 1
1 615 . 20 1 1 A 55 55 PRO CB C 53 33.002 31.787 1.215 1
1 618 . 20 1 1 A 56 56 LYS H H 54 7.930 8.015 -0.085 1
1 619 . 20 1 1 A 56 56 LYS HA H 54 4.000 4.397 -0.397 1
1 628 . 20 1 1 A 56 56 LYS C C 54 177.931 176.418 1.513 1
1 629 . 20 1 1 A 56 56 LYS CA C 54 56.770 55.975 0.795 1
1 630 . 20 1 1 A 56 56 LYS CB C 54 32.023 32.969 -0.946 1
1 634 . 20 1 1 A 56 56 LYS N N 54 112.924 116.151 -3.227 1
1 635 . 20 1 1 A 57 57 LEU H H 55 7.161 6.703 0.458 1
1 636 . 20 1 1 A 57 57 LEU HA H 55 4.065 4.185 -0.120 1
1 646 . 20 1 1 A 57 57 LEU C C 55 179.416 177.741 1.675 1
1 647 . 20 1 1 A 57 57 LEU CA C 55 56.088 55.179 0.909 1
1 648 . 20 1 1 A 57 57 LEU CB C 55 42.397 41.736 0.661 1
1 652 . 20 1 1 A 57 57 LEU N N 55 120.593 121.321 -0.728 1
1 653 . 20 1 1 A 58 58 LYS H H 56 8.716 8.948 -0.232 1
1 654 . 20 1 1 A 58 58 LYS HA H 56 3.937 3.927 0.010 1
1 663 . 20 1 1 A 58 58 LYS C C 56 178.937 178.356 0.581 1
1 664 . 20 1 1 A 58 58 LYS CA C 56 60.301 59.545 0.756 1
1 665 . 20 1 1 A 58 58 LYS CB C 56 32.121 32.114 0.007 1
1 669 . 20 1 1 A 58 58 LYS N N 56 125.479 124.381 1.098 1
1 670 . 20 1 1 A 59 59 TRP H H 57 7.827 8.279 -0.452 1
1 671 . 20 1 1 A 59 59 TRP HA H 57 4.664 4.522 0.142 1
1 680 . 20 1 1 A 59 59 TRP C C 57 178.868 179.474 -0.606 1
1 681 . 20 1 1 A 59 59 TRP CA C 57 58.897 59.854 -0.957 1
1 682 . 20 1 1 A 59 59 TRP CB C 57 28.036 28.086 -0.050 1
1 688 . 20 1 1 A 59 59 TRP N N 57 113.433 119.156 -5.723 1
1 690 . 20 1 1 A 60 60 ILE H H 58 6.458 7.490 -1.032 1
1 691 . 20 1 1 A 60 60 ILE HA H 58 3.325 3.466 -0.141 1
1 701 . 20 1 1 A 60 60 ILE C C 58 177.726 177.766 -0.040 1
1 702 . 20 1 1 A 60 60 ILE CA C 58 64.314 64.571 -0.257 1
1 703 . 20 1 1 A 60 60 ILE CB C 58 35.897 36.339 -0.442 1
1 707 . 20 1 1 A 60 60 ILE N N 58 124.379 122.547 1.832 1
1 708 . 20 1 1 A 61 61 GLN H H 59 7.622 8.664 -1.042 1
1 709 . 20 1 1 A 61 61 GLN HA H 59 3.763 3.895 -0.132 1
1 716 . 20 1 1 A 61 61 GLN C C 59 178.434 178.838 -0.404 1
1 717 . 20 1 1 A 61 61 GLN CA C 59 59.379 59.365 0.014 1
1 718 . 20 1 1 A 61 61 GLN CB C 59 28.602 28.360 0.242 1
1 720 . 20 1 1 A 61 61 GLN N N 59 119.070 119.413 -0.343 1
1 722 . 20 1 1 A 62 62 GLU H H 60 8.064 8.293 -0.229 1
1 723 . 20 1 1 A 62 62 GLU HA H 60 4.093 4.119 -0.026 1
1 728 . 20 1 1 A 62 62 GLU C C 60 179.051 178.507 0.544 1
1 729 . 20 1 1 A 62 62 GLU CA C 60 59.659 59.034 0.625 1
1 730 . 20 1 1 A 62 62 GLU CB C 60 30.457 29.609 0.848 1
1 732 . 20 1 1 A 62 62 GLU N N 60 117.166 120.088 -2.922 1
1 733 . 20 1 1 A 63 63 TYR H H 61 7.913 7.985 -0.072 1
1 734 . 20 1 1 A 63 63 TYR HA H 61 4.265 4.251 0.014 1
1 741 . 20 1 1 A 63 63 TYR C C 61 178.617 177.639 0.978 1
1 742 . 20 1 1 A 63 63 TYR CA C 61 61.184 61.437 -0.253 1
1 743 . 20 1 1 A 63 63 TYR CB C 61 39.461 38.478 0.983 1
1 746 . 20 1 1 A 63 63 TYR N N 61 121.271 123.395 -2.124 1
1 747 . 20 1 1 A 64 64 LEU H H 62 8.252 9.204 -0.952 1
1 748 . 20 1 1 A 64 64 LEU HA H 62 3.977 3.948 0.029 1
1 758 . 20 1 1 A 64 64 LEU C C 62 179.553 179.141 0.412 1
1 759 . 20 1 1 A 64 64 LEU CA C 62 58.014 58.259 -0.245 1
1 760 . 20 1 1 A 64 64 LEU CB C 62 42.397 41.691 0.706 1
1 764 . 20 1 1 A 64 64 LEU N N 62 116.299 120.210 -3.911 1
1 765 . 20 1 1 A 65 65 GLU H H 63 8.453 8.451 0.002 1
1 766 . 20 1 1 A 65 65 GLU HA H 63 3.853 3.953 -0.100 1
1 771 . 20 1 1 A 65 65 GLU C C 63 179.279 179.757 -0.478 1
1 772 . 20 1 1 A 65 65 GLU CA C 63 60.301 59.607 0.694 1
1 773 . 20 1 1 A 65 65 GLU CB C 63 29.870 29.262 0.608 1
1 775 . 20 1 1 A 65 65 GLU N N 63 118.616 117.663 0.953 1
1 776 . 20 1 1 A 66 66 LYS H H 64 7.571 7.637 -0.066 1
1 777 . 20 1 1 A 66 66 LYS HA H 64 4.225 4.002 0.223 1
1 786 . 20 1 1 A 66 66 LYS C C 64 178.457 179.477 -1.020 1
1 787 . 20 1 1 A 66 66 LYS CA C 64 58.496 59.242 -0.746 1
1 788 . 20 1 1 A 66 66 LYS CB C 64 32.400 32.252 0.148 1
1 792 . 20 1 1 A 66 66 LYS N N 64 117.166 119.178 -2.012 1
1 793 . 20 1 1 A 67 67 CYS H H 65 7.916 7.872 0.044 1
1 794 . 20 1 1 A 67 67 CYS HA H 65 4.561 4.394 0.167 1
1 797 . 20 1 1 A 67 67 CYS C C 65 174.893 177.569 -2.676 1
1 798 . 20 1 1 A 67 67 CYS CA C 65 56.329 63.477 -7.148 1
1 799 . 20 1 1 A 67 67 CYS CB C 65 45.235 27.029 18.206 1
1 800 . 20 1 1 A 67 67 CYS N N 65 115.312 118.792 -3.480 1
1 801 . 20 1 1 A 68 68 LEU H H 66 7.556 8.147 -0.591 1
1 802 . 20 1 1 A 68 68 LEU HA H 66 4.520 3.903 0.617 1
1 812 . 20 1 1 A 68 68 LEU C C 66 176.812 178.864 -2.052 1
1 813 . 20 1 1 A 68 68 LEU CA C 66 55.366 58.191 -2.825 1
1 814 . 20 1 1 A 68 68 LEU CB C 66 43.278 41.889 1.389 1
1 818 . 20 1 1 A 68 68 LEU N N 66 120.930 120.973 -0.043 1
1 819 . 20 1 1 A 69 69 ASN H H 67 8.266 7.919 0.347 1
1 820 . 20 1 1 A 69 69 ASN HA H 67 4.681 4.513 0.168 1
1 825 . 20 1 1 A 69 69 ASN CA C 67 53.761 56.346 -2.585 1
1 826 . 20 1 1 A 69 69 ASN CB C 67 39.069 38.858 0.211 1
1 827 . 20 1 1 A 69 69 ASN N N 67 120.279 116.946 3.333 1
1 852 . 20 2 2 B 4 4 GLU H H 102 8.376 7.913 0.463 1
1 853 . 20 2 2 B 4 4 GLU HA H 102 4.335 4.488 -0.153 1
1 858 . 20 2 2 B 4 4 GLU C C 102 177.132 176.019 1.113 1
1 859 . 20 2 2 B 4 4 GLU CA C 102 57.410 55.483 1.927 1
1 861 . 20 2 2 B 4 4 GLU N N 102 121.884 119.634 2.250 1
1 862 . 20 2 2 B 5 5 GLY H H 103 8.380 8.247 0.133 1
1 863 . 20 2 2 B 5 5 GLY HA2 H 103 4.003 3.975 0.028 1
1 864 . 20 2 2 B 5 5 GLY HA3 H 103 4.003 3.975 0.028 1
1 865 . 20 2 2 B 5 5 GLY C C 103 174.207 172.449 1.758 1
1 866 . 20 2 2 B 5 5 GLY CA C 103 45.750 45.722 0.028 1
1 867 . 20 2 2 B 5 5 GLY N N 103 110.055 111.120 -1.065 1
1 868 . 20 2 2 B 6 6 ILE H H 104 7.851 8.541 -0.690 1
1 869 . 20 2 2 B 6 6 ILE HA H 104 4.305 4.301 0.004 1
1 879 . 20 2 2 B 6 6 ILE C C 104 176.401 176.438 -0.037 1
1 880 . 20 2 2 B 6 6 ILE CA C 104 61.558 60.769 0.789 1
1 881 . 20 2 2 B 6 6 ILE CB C 104 39.436 39.524 -0.088 1
1 885 . 20 2 2 B 6 6 ILE N N 104 119.606 125.593 -5.987 1
1 886 . 20 2 2 B 7 7 SER H H 105 8.369 8.736 -0.367 1
1 887 . 20 2 2 B 7 7 SER HA H 105 4.564 4.407 0.157 1
1 890 . 20 2 2 B 7 7 SER C C 105 174.550 174.146 0.404 1
1 891 . 20 2 2 B 7 7 SER CA C 105 58.667 57.680 0.987 1
1 892 . 20 2 2 B 7 7 SER CB C 105 64.072 62.277 1.795 1
1 893 . 20 2 2 B 7 7 SER N N 105 119.853 121.799 -1.946 1
1 894 . 20 2 2 B 8 8 ILE H H 106 7.953 8.418 -0.465 1
1 895 . 20 2 2 B 8 8 ILE HA H 106 4.224 3.763 0.461 1
1 905 . 20 2 2 B 8 8 ILE C C 106 175.921 176.091 -0.170 1
1 906 . 20 2 2 B 8 8 ILE CA C 106 61.935 61.513 0.422 1
1 907 . 20 2 2 B 8 8 ILE CB C 106 39.436 39.561 -0.125 1
1 911 . 20 2 2 B 8 8 ILE N N 106 121.730 123.431 -1.701 1
1 912 . 20 2 2 B 9 9 TYR H H 107 8.171 8.235 -0.064 1
1 913 . 20 2 2 B 9 9 TYR HA H 107 4.736 4.322 0.414 1
1 920 . 20 2 2 B 9 9 TYR C C 107 176.058 176.876 -0.818 1
1 921 . 20 2 2 B 9 9 TYR CA C 107 58.165 60.557 -2.392 1
1 922 . 20 2 2 B 9 9 TYR CB C 107 39.436 38.783 0.653 1
1 925 . 20 2 2 B 9 9 TYR N N 107 123.598 128.087 -4.489 1
1 926 . 20 2 2 B 10 10 THR H H 108 7.986 7.812 0.174 1
1 927 . 20 2 2 B 10 10 THR HA H 108 4.452 4.582 -0.130 1
1 932 . 20 2 2 B 10 10 THR C C 108 174.459 174.069 0.390 1
1 933 . 20 2 2 B 10 10 THR CA C 108 62.061 63.309 -1.248 1
1 934 . 20 2 2 B 10 10 THR CB C 108 70.608 70.903 -0.295 1
1 936 . 20 2 2 B 10 10 THR N N 108 115.642 109.724 5.918 1
1 937 . 20 2 2 B 11 11 SER H H 109 8.193 7.709 0.484 1
1 938 . 20 2 2 B 11 11 SER HA H 109 4.526 4.890 -0.364 1
1 941 . 20 2 2 B 11 11 SER C C 109 174.504 171.717 2.787 1
1 942 . 20 2 2 B 11 11 SER CA C 109 58.919 57.942 0.977 1
1 943 . 20 2 2 B 11 11 SER CB C 109 64.198 66.806 -2.608 1
1 944 . 20 2 2 B 11 11 SER N N 109 117.597 111.777 5.820 1
1 945 . 20 2 2 B 12 12 ASP H H 110 8.351 8.703 -0.352 1
1 946 . 20 2 2 B 12 12 ASP HA H 110 4.650 5.071 -0.421 1
1 949 . 20 2 2 B 12 12 ASP C C 110 176.058 173.655 2.403 1
1 950 . 20 2 2 B 12 12 ASP CA C 110 55.022 52.897 2.125 1
1 951 . 20 2 2 B 12 12 ASP CB C 110 41.825 44.169 -2.344 1
1 952 . 20 2 2 B 12 12 ASP N N 110 122.020 121.616 0.404 1
1 953 . 20 2 2 B 13 13 ASN H H 111 8.230 8.492 -0.262 1
1 954 . 20 2 2 B 13 13 ASN HA H 111 4.745 4.866 -0.121 1
1 957 . 20 2 2 B 13 13 ASN C C 111 175.030 173.266 1.764 1
1 958 . 20 2 2 B 13 13 ASN CA C 111 53.765 52.277 1.488 1
1 959 . 20 2 2 B 13 13 ASN CB C 111 39.562 37.058 2.504 1
1 960 . 20 2 2 B 13 13 ASN N N 111 118.317 119.770 -1.453 1
1 961 . 20 2 2 B 14 14 TYR H H 112 8.101 8.327 -0.226 1
1 962 . 20 2 2 B 14 14 TYR HA H 112 4.645 4.965 -0.320 1
1 969 . 20 2 2 B 14 14 TYR C C 112 176.081 174.822 1.259 1
1 970 . 20 2 2 B 14 14 TYR CA C 112 58.793 56.588 2.205 1
1 971 . 20 2 2 B 14 14 TYR CB C 112 39.436 43.271 -3.835 1
1 974 . 20 2 2 B 14 14 TYR N N 112 121.125 124.835 -3.710 1
1 975 . 20 2 2 B 15 15 THR H H 113 7.900 8.722 -0.822 1
1 976 . 20 2 2 B 15 15 THR HA H 113 4.332 4.885 -0.553 1
1 981 . 20 2 2 B 15 15 THR C C 113 174.413 172.440 1.973 1
1 982 . 20 2 2 B 15 15 THR CA C 113 62.187 61.647 0.540 1
1 983 . 20 2 2 B 15 15 THR CB C 113 70.341 71.575 -1.234 1
1 985 . 20 2 2 B 15 15 THR N N 113 116.394 116.620 -0.226 1
1 986 . 20 2 2 B 16 16 GLU H H 114 8.283 8.726 -0.443 1
1 987 . 20 2 2 B 16 16 GLU HA H 114 4.275 4.635 -0.360 1
1 992 . 20 2 2 B 16 16 GLU C C 114 176.766 174.753 2.013 1
1 993 . 20 2 2 B 16 16 GLU CA C 114 57.410 55.959 1.451 1
1 994 . 20 2 2 B 16 16 GLU CB C 114 30.638 33.830 -3.192 1
1 996 . 20 2 2 B 16 16 GLU N N 114 123.052 126.894 -3.842 1
1 997 . 20 2 2 B 17 17 GLU H H 115 8.370 8.677 -0.307 1
1 998 . 20 2 2 B 17 17 GLU HA H 115 4.325 4.295 0.030 1
1 1003 . 20 2 2 B 17 17 GLU C C 115 176.880 176.950 -0.070 1
1 1004 . 20 2 2 B 17 17 GLU CA C 115 57.410 57.375 0.035 1
1 1005 . 20 2 2 B 17 17 GLU CB C 115 30.512 29.707 0.805 1
1 1007 . 20 2 2 B 17 17 GLU N N 115 121.688 124.947 -3.259 1
1 1008 . 20 2 2 B 18 18 MET H H 116 8.314 8.533 -0.219 1
1 1009 . 20 2 2 B 18 18 MET HA H 116 4.509 4.398 0.111 1
1 1014 . 20 2 2 B 18 18 MET C C 116 177.086 176.583 0.503 1
1 1015 . 20 2 2 B 18 18 MET CA C 116 56.279 56.354 -0.075 1
1 1016 . 20 2 2 B 18 18 MET CB C 116 33.026 33.171 -0.145 1
1 1017 . 20 2 2 B 18 18 MET N N 116 121.270 123.300 -2.030 1
1 1018 . 20 2 2 B 19 19 GLY H H 117 8.384 8.485 -0.101 1
1 1019 . 20 2 2 B 19 19 GLY HA2 H 117 4.061 4.372 -0.311 1
1 1020 . 20 2 2 B 19 19 GLY HA3 H 117 4.061 4.374 -0.313 1
1 1021 . 20 2 2 B 19 19 GLY C C 117 174.481 172.510 1.971 1
1 1022 . 20 2 2 B 19 19 GLY CA C 117 45.847 44.206 1.641 1
1 1023 . 20 2 2 B 19 19 GLY N N 117 110.055 109.281 0.774 1
1 1024 . 20 2 2 B 20 20 SER H H 118 8.250 8.325 -0.075 1
1 1025 . 20 2 2 B 20 20 SER HA H 118 4.495 5.118 -0.623 1
1 1028 . 20 2 2 B 20 20 SER C C 118 175.327 174.643 0.684 1
1 1029 . 20 2 2 B 20 20 SER CA C 118 58.919 57.876 1.043 1
1 1030 . 20 2 2 B 20 20 SER CB C 118 64.575 64.597 -0.022 1
1 1031 . 20 2 2 B 20 20 SER N N 118 115.664 116.090 -0.426 1
1 1032 . 20 2 2 B 21 21 GLY H H 119 8.429 8.437 -0.008 1
1 1033 . 20 2 2 B 21 21 GLY HA2 H 119 4.000 4.253 -0.253 1
1 1034 . 20 2 2 B 21 21 GLY HA3 H 119 4.000 4.259 -0.259 1
1 1035 . 20 2 2 B 21 21 GLY C C 119 174.002 171.798 2.204 1
1 1036 . 20 2 2 B 21 21 GLY CA C 119 45.721 45.806 -0.085 1
1 1037 . 20 2 2 B 21 21 GLY N N 119 110.872 110.035 0.837 1
1 1038 . 20 2 2 B 22 22 ASP H H 120 8.127 8.762 -0.635 1
1 1039 . 20 2 2 B 22 22 ASP HA H 120 4.634 5.268 -0.634 1
1 1042 . 20 2 2 B 22 22 ASP C C 120 176.355 175.744 0.611 1
1 1043 . 20 2 2 B 22 22 ASP CA C 120 54.771 52.469 2.302 1
1 1044 . 20 2 2 B 22 22 ASP CB C 120 41.699 45.069 -3.370 1
1 1045 . 20 2 2 B 22 22 ASP N N 120 120.530 118.002 2.528 1
1 1046 . 20 2 2 B 23 23 TYR H H 121 8.097 8.964 -0.867 1
1 1047 . 20 2 2 B 23 23 TYR HA H 121 4.555 4.522 0.033 1
1 1054 . 20 2 2 B 23 23 TYR C C 121 176.058 175.271 0.787 1
1 1055 . 20 2 2 B 23 23 TYR CA C 121 58.667 59.585 -0.918 1
1 1056 . 20 2 2 B 23 23 TYR CB C 121 39.311 40.226 -0.915 1
1 1059 . 20 2 2 B 23 23 TYR N N 121 120.584 121.671 -1.087 1
1 1060 . 20 2 2 B 24 24 ASP H H 122 8.224 7.781 0.443 1
1 1061 . 20 2 2 B 24 24 ASP HA H 122 4.621 5.000 -0.379 1
1 1064 . 20 2 2 B 24 24 ASP C C 122 176.835 175.051 1.784 1
1 1065 . 20 2 2 B 24 24 ASP CA C 122 55.022 55.800 -0.778 1
1 1066 . 20 2 2 B 24 24 ASP CB C 122 41.825 42.894 -1.069 1
1 1067 . 20 2 2 B 24 24 ASP N N 122 121.815 118.242 3.573 1
1 1068 . 20 2 2 B 25 25 SER H H 123 8.137 7.850 0.287 1
1 1069 . 20 2 2 B 25 25 SER HA H 123 4.394 4.744 -0.350 1
1 1072 . 20 2 2 B 25 25 SER C C 123 175.075 172.766 2.309 1
1 1073 . 20 2 2 B 25 25 SER CA C 123 59.547 57.080 2.467 1
1 1074 . 20 2 2 B 25 25 SER CB C 123 63.540 65.689 -2.149 1
1 1075 . 20 2 2 B 25 25 SER N N 123 116.405 113.208 3.197 1
1 1076 . 20 2 2 B 26 26 MET H H 124 8.221 8.607 -0.386 1
1 1077 . 20 2 2 B 26 26 MET HA H 124 4.500 5.231 -0.731 1
1 1082 . 20 2 2 B 26 26 MET C C 124 176.355 175.537 0.818 1
1 1083 . 20 2 2 B 26 26 MET CA C 124 56.279 53.863 2.416 1
1 1084 . 20 2 2 B 26 26 MET CB C 124 32.900 34.262 -1.362 1
1 1086 . 20 2 2 B 26 26 MET N N 124 121.210 123.280 -2.070 1
1 1087 . 20 2 2 B 27 27 LYS H H 125 7.991 8.422 -0.431 1
1 1088 . 20 2 2 B 27 27 LYS HA H 125 4.352 5.063 -0.711 1
1 1097 . 20 2 2 B 27 27 LYS C C 125 176.355 175.194 1.161 1
1 1098 . 20 2 2 B 27 27 LYS CA C 125 56.656 54.792 1.864 1
1 1099 . 20 2 2 B 27 27 LYS CB C 125 33.529 37.100 -3.571 1
1 1103 . 20 2 2 B 27 27 LYS N N 125 121.457 119.761 1.696 1
1 1104 . 20 2 2 B 28 28 GLU H H 126 8.216 8.871 -0.655 1
1 1105 . 20 2 2 B 28 28 GLU N N 126 122.890 118.389 4.501 1
1 1106 . 20 2 2 B 29 29 PRO HA H 127 4.396 4.625 -0.229 1
1 1113 . 20 2 2 B 29 29 PRO C C 127 176.812 175.278 1.534 1
1 1114 . 20 2 2 B 29 29 PRO CA C 127 63.821 62.317 1.504 1
1 1115 . 20 2 2 B 29 29 PRO CB C 127 32.272 33.074 -0.802 1
1 1118 . 20 2 2 B 30 30 ALA H H 128 8.282 8.135 0.147 1
1 1119 . 20 2 2 B 30 30 ALA HA H 128 4.316 4.816 -0.500 1
1 1123 . 20 2 2 B 30 30 ALA C C 128 177.589 175.976 1.613 1
1 1124 . 20 2 2 B 30 30 ALA CA C 128 53.192 50.852 2.340 1
1 1125 . 20 2 2 B 30 30 ALA CB C 128 19.703 23.273 -3.570 1
1 1126 . 20 2 2 B 30 30 ALA N N 128 123.577 120.388 3.189 1
1 1127 . 20 2 2 B 31 31 PHE H H 129 8.035 8.929 -0.894 1
1 1128 . 20 2 2 B 31 31 PHE HA H 129 4.637 4.794 -0.157 1
1 1135 . 20 2 2 B 31 31 PHE C C 129 175.624 175.410 0.214 1
1 1136 . 20 2 2 B 31 31 PHE CA C 129 58.039 57.349 0.690 1
1 1137 . 20 2 2 B 31 31 PHE CB C 129 40.065 37.877 2.188 1
1 1140 . 20 2 2 B 31 31 PHE N N 129 118.994 119.971 -0.977 1
1 1141 . 20 2 2 B 32 32 ARG H H 130 8.066 8.047 0.019 1
1 1142 . 20 2 2 B 32 32 ARG HA H 130 4.351 4.664 -0.313 1
1 1149 . 20 2 2 B 32 32 ARG C C 130 175.875 174.171 1.704 1
1 1150 . 20 2 2 B 32 32 ARG CA C 130 56.154 55.302 0.852 1
1 1151 . 20 2 2 B 32 32 ARG CB C 130 31.643 34.165 -2.522 1
1 1154 . 20 2 2 B 32 32 ARG N N 130 123.094 124.616 -1.522 1
1 1155 . 20 2 2 B 33 33 GLU H H 131 8.389 8.606 -0.217 1
1 1156 . 20 2 2 B 33 33 GLU HA H 131 4.295 4.210 0.085 1
1 1161 . 20 2 2 B 33 33 GLU C C 131 176.766 175.635 1.131 1
1 1162 . 20 2 2 B 33 33 GLU CA C 131 57.285 56.691 0.594 1
1 1163 . 20 2 2 B 33 33 GLU CB C 131 30.512 29.997 0.515 1
1 1165 . 20 2 2 B 33 33 GLU N N 131 122.719 121.165 1.554 1
1 1166 . 20 2 2 B 34 34 GLU H H 132 8.526 8.886 -0.360 1
1 1167 . 20 2 2 B 34 34 GLU HA H 132 4.321 4.754 -0.433 1
1 1172 . 20 2 2 B 34 34 GLU C C 132 176.560 175.420 1.140 1
1 1173 . 20 2 2 B 34 34 GLU CA C 132 57.400 55.192 2.208 1
1 1174 . 20 2 2 B 34 34 GLU CB C 132 30.512 33.637 -3.125 1
1 1176 . 20 2 2 B 34 34 GLU N N 132 122.122 121.290 0.832 1
1 1177 . 20 2 2 B 35 35 ASN H H 133 8.379 8.925 -0.546 1
1 1178 . 20 2 2 B 35 35 ASN HA H 133 4.712 4.367 0.345 1
1 1181 . 20 2 2 B 35 35 ASN C C 133 175.258 174.169 1.089 1
1 1182 . 20 2 2 B 35 35 ASN CA C 133 53.765 53.912 -0.147 1
1 1183 . 20 2 2 B 35 35 ASN CB C 133 39.562 36.928 2.634 1
1 1184 . 20 2 2 B 35 35 ASN N N 133 119.552 122.923 -3.371 1
1 1185 . 20 2 2 B 36 36 ALA H H 134 8.175 8.603 -0.428 1
1 1186 . 20 2 2 B 36 36 ALA HA H 134 4.308 5.060 -0.752 1
1 1190 . 20 2 2 B 36 36 ALA C C 134 177.520 176.512 1.008 1
1 1191 . 20 2 2 B 36 36 ALA CA C 134 53.192 50.592 2.600 1
1 1192 . 20 2 2 B 36 36 ALA CB C 134 19.703 20.422 -0.719 1
1 1193 . 20 2 2 B 36 36 ALA N N 134 124.376 128.081 -3.705 1
1 1194 . 20 2 2 B 37 37 ASN H H 135 8.238 8.894 -0.656 1
1 1195 . 20 2 2 B 37 37 ASN HA H 135 4.713 5.290 -0.577 1
1 1198 . 20 2 2 B 37 37 ASN C C 135 175.144 174.105 1.039 1
1 1199 . 20 2 2 B 37 37 ASN CA C 135 53.640 52.592 1.048 1
1 1200 . 20 2 2 B 37 37 ASN CB C 135 39.311 39.960 -0.649 1
1 1201 . 20 2 2 B 37 37 ASN N N 135 117.103 122.166 -5.063 1
1 1202 . 20 2 2 B 38 38 PHE H H 136 7.997 8.874 -0.877 1
1 1203 . 20 2 2 B 38 38 PHE HA H 136 4.678 5.243 -0.565 1
1 1210 . 20 2 2 B 38 38 PHE C C 136 175.601 173.918 1.683 1
1 1211 . 20 2 2 B 38 38 PHE CA C 136 58.165 56.138 2.027 1
1 1212 . 20 2 2 B 38 38 PHE CB C 136 39.939 42.627 -2.688 1
1 1215 . 20 2 2 B 38 38 PHE N N 136 120.229 124.880 -4.651 1
1 1216 . 20 2 2 B 39 39 ASN H H 137 8.272 8.341 -0.069 1
1 1217 . 20 2 2 B 39 39 ASN HA H 137 4.752 4.686 0.066 1
1 1220 . 20 2 2 B 39 39 ASN C C 137 174.047 174.087 -0.040 1
1 1221 . 20 2 2 B 39 39 ASN CA C 137 53.891 51.927 1.964 1
1 1222 . 20 2 2 B 39 39 ASN CB C 137 39.688 36.708 2.980 1
1 1223 . 20 2 2 B 39 39 ASN N N 137 120.594 126.374 -5.780 1
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Assigned_chem_shift_list_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Entity_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Entity_delta_chem_shifts_ID
1 1 1 1 "RMS(OBS, PRED)" C 58 1.402 1
2 1 1 1 "RMS(OBS, PRED)" CA 63 1.426 1
3 1 1 1 "RMS(OBS, PRED)" CB 63 3.469 1
4 1 1 1 "RMS(OBS, PRED)" H 59 0.555 1
5 1 1 1 "RMS(OBS, PRED)" HA 63 0.354 1
6 1 1 1 "RMS(OBS, PRED)" N 59 3.032 1
7 1 1 2 "RMS(OBS, PRED)" C 35 1.137 1
8 1 1 2 "RMS(OBS, PRED)" CA 35 1.616 1
9 1 1 2 "RMS(OBS, PRED)" CB 31 1.694 1
10 1 1 2 "RMS(OBS, PRED)" H 35 0.447 1
11 1 1 2 "RMS(OBS, PRED)" HA 38 0.311 1
12 1 1 2 "RMS(OBS, PRED)" N 35 3.607 1
13 1 2 1 "RMS(OBS, PRED)" C 58 1.535 1
14 1 2 1 "RMS(OBS, PRED)" CA 63 1.553 1
15 1 2 1 "RMS(OBS, PRED)" CB 63 3.597 1
16 1 2 1 "RMS(OBS, PRED)" H 59 0.531 1
17 1 2 1 "RMS(OBS, PRED)" HA 63 0.329 1
18 1 2 1 "RMS(OBS, PRED)" N 59 2.580 1
19 1 2 2 "RMS(OBS, PRED)" C 35 1.315 1
20 1 2 2 "RMS(OBS, PRED)" CA 35 1.455 1
21 1 2 2 "RMS(OBS, PRED)" CB 31 1.759 1
22 1 2 2 "RMS(OBS, PRED)" H 35 0.492 1
23 1 2 2 "RMS(OBS, PRED)" HA 38 0.370 1
24 1 2 2 "RMS(OBS, PRED)" N 35 3.752 1
25 1 3 1 "RMS(OBS, PRED)" C 58 1.509 1
26 1 3 1 "RMS(OBS, PRED)" CA 63 1.434 1
27 1 3 1 "RMS(OBS, PRED)" CB 63 3.433 1
28 1 3 1 "RMS(OBS, PRED)" H 59 0.520 1
29 1 3 1 "RMS(OBS, PRED)" HA 63 0.363 1
30 1 3 1 "RMS(OBS, PRED)" N 59 2.571 1
31 1 3 2 "RMS(OBS, PRED)" C 35 1.428 1
32 1 3 2 "RMS(OBS, PRED)" CA 35 1.729 1
33 1 3 2 "RMS(OBS, PRED)" CB 31 2.183 1
34 1 3 2 "RMS(OBS, PRED)" H 35 0.525 1
35 1 3 2 "RMS(OBS, PRED)" HA 38 0.369 1
36 1 3 2 "RMS(OBS, PRED)" N 35 3.159 1
37 1 4 1 "RMS(OBS, PRED)" C 58 1.385 1
38 1 4 1 "RMS(OBS, PRED)" CA 63 1.431 1
39 1 4 1 "RMS(OBS, PRED)" CB 63 3.471 1
40 1 4 1 "RMS(OBS, PRED)" H 59 0.594 1
41 1 4 1 "RMS(OBS, PRED)" HA 63 0.345 1
42 1 4 1 "RMS(OBS, PRED)" N 59 2.972 1
43 1 4 2 "RMS(OBS, PRED)" C 35 1.397 1
44 1 4 2 "RMS(OBS, PRED)" CA 35 1.695 1
45 1 4 2 "RMS(OBS, PRED)" CB 31 1.762 1
46 1 4 2 "RMS(OBS, PRED)" H 35 0.539 1
47 1 4 2 "RMS(OBS, PRED)" HA 38 0.357 1
48 1 4 2 "RMS(OBS, PRED)" N 35 3.304 1
49 1 5 1 "RMS(OBS, PRED)" C 58 1.467 1
50 1 5 1 "RMS(OBS, PRED)" CA 63 1.596 1
51 1 5 1 "RMS(OBS, PRED)" CB 63 3.515 1
52 1 5 1 "RMS(OBS, PRED)" H 59 0.528 1
53 1 5 1 "RMS(OBS, PRED)" HA 63 0.375 1
54 1 5 1 "RMS(OBS, PRED)" N 59 2.773 1
55 1 5 2 "RMS(OBS, PRED)" C 35 1.292 1
56 1 5 2 "RMS(OBS, PRED)" CA 35 1.753 1
57 1 5 2 "RMS(OBS, PRED)" CB 31 1.713 1
58 1 5 2 "RMS(OBS, PRED)" H 35 0.508 1
59 1 5 2 "RMS(OBS, PRED)" HA 38 0.431 1
60 1 5 2 "RMS(OBS, PRED)" N 35 3.753 1
61 1 6 1 "RMS(OBS, PRED)" C 58 1.392 1
62 1 6 1 "RMS(OBS, PRED)" CA 63 1.437 1
63 1 6 1 "RMS(OBS, PRED)" CB 63 3.426 1
64 1 6 1 "RMS(OBS, PRED)" H 59 0.578 1
65 1 6 1 "RMS(OBS, PRED)" HA 63 0.340 1
66 1 6 1 "RMS(OBS, PRED)" N 59 2.819 1
67 1 6 2 "RMS(OBS, PRED)" C 35 1.451 1
68 1 6 2 "RMS(OBS, PRED)" CA 35 1.521 1
69 1 6 2 "RMS(OBS, PRED)" CB 31 1.906 1
70 1 6 2 "RMS(OBS, PRED)" H 35 0.464 1
71 1 6 2 "RMS(OBS, PRED)" HA 38 0.387 1
72 1 6 2 "RMS(OBS, PRED)" N 35 3.843 1
73 1 7 1 "RMS(OBS, PRED)" C 58 1.390 1
74 1 7 1 "RMS(OBS, PRED)" CA 63 1.383 1
75 1 7 1 "RMS(OBS, PRED)" CB 63 3.581 1
76 1 7 1 "RMS(OBS, PRED)" H 59 0.521 1
77 1 7 1 "RMS(OBS, PRED)" HA 63 0.332 1
78 1 7 1 "RMS(OBS, PRED)" N 59 3.117 1
79 1 7 2 "RMS(OBS, PRED)" C 35 1.245 1
80 1 7 2 "RMS(OBS, PRED)" CA 35 1.427 1
81 1 7 2 "RMS(OBS, PRED)" CB 31 2.111 1
82 1 7 2 "RMS(OBS, PRED)" H 35 0.519 1
83 1 7 2 "RMS(OBS, PRED)" HA 38 0.349 1
84 1 7 2 "RMS(OBS, PRED)" N 35 3.791 1
85 1 8 1 "RMS(OBS, PRED)" C 58 1.415 1
86 1 8 1 "RMS(OBS, PRED)" CA 63 1.445 1
87 1 8 1 "RMS(OBS, PRED)" CB 63 3.261 1
88 1 8 1 "RMS(OBS, PRED)" H 59 0.463 1
89 1 8 1 "RMS(OBS, PRED)" HA 63 0.397 1
90 1 8 1 "RMS(OBS, PRED)" N 59 2.732 1
91 1 8 2 "RMS(OBS, PRED)" C 35 1.275 1
92 1 8 2 "RMS(OBS, PRED)" CA 35 1.795 1
93 1 8 2 "RMS(OBS, PRED)" CB 31 1.827 1
94 1 8 2 "RMS(OBS, PRED)" H 35 0.510 1
95 1 8 2 "RMS(OBS, PRED)" HA 38 0.431 1
96 1 8 2 "RMS(OBS, PRED)" N 35 3.630 1
97 1 9 1 "RMS(OBS, PRED)" C 58 1.488 1
98 1 9 1 "RMS(OBS, PRED)" CA 63 1.357 1
99 1 9 1 "RMS(OBS, PRED)" CB 63 3.527 1
100 1 9 1 "RMS(OBS, PRED)" H 59 0.585 1
101 1 9 1 "RMS(OBS, PRED)" HA 63 0.327 1
102 1 9 1 "RMS(OBS, PRED)" N 59 2.952 1
103 1 9 2 "RMS(OBS, PRED)" C 35 1.129 1
104 1 9 2 "RMS(OBS, PRED)" CA 35 1.298 1
105 1 9 2 "RMS(OBS, PRED)" CB 31 1.845 1
106 1 9 2 "RMS(OBS, PRED)" H 35 0.481 1
107 1 9 2 "RMS(OBS, PRED)" HA 38 0.302 1
108 1 9 2 "RMS(OBS, PRED)" N 35 3.021 1
109 1 10 1 "RMS(OBS, PRED)" C 58 1.395 1
110 1 10 1 "RMS(OBS, PRED)" CA 63 1.347 1
111 1 10 1 "RMS(OBS, PRED)" CB 63 3.526 1
112 1 10 1 "RMS(OBS, PRED)" H 59 0.615 1
113 1 10 1 "RMS(OBS, PRED)" HA 63 0.356 1
114 1 10 1 "RMS(OBS, PRED)" N 59 2.572 1
115 1 10 2 "RMS(OBS, PRED)" C 35 1.291 1
116 1 10 2 "RMS(OBS, PRED)" CA 35 1.659 1
117 1 10 2 "RMS(OBS, PRED)" CB 31 2.098 1
118 1 10 2 "RMS(OBS, PRED)" H 35 0.504 1
119 1 10 2 "RMS(OBS, PRED)" HA 38 0.407 1
120 1 10 2 "RMS(OBS, PRED)" N 35 3.550 1
121 1 11 1 "RMS(OBS, PRED)" C 58 1.474 1
122 1 11 1 "RMS(OBS, PRED)" CA 63 1.399 1
123 1 11 1 "RMS(OBS, PRED)" CB 63 3.410 1
124 1 11 1 "RMS(OBS, PRED)" H 59 0.579 1
125 1 11 1 "RMS(OBS, PRED)" HA 63 0.346 1
126 1 11 1 "RMS(OBS, PRED)" N 59 2.859 1
127 1 11 2 "RMS(OBS, PRED)" C 35 1.358 1
128 1 11 2 "RMS(OBS, PRED)" CA 35 1.700 1
129 1 11 2 "RMS(OBS, PRED)" CB 31 2.120 1
130 1 11 2 "RMS(OBS, PRED)" H 35 0.479 1
131 1 11 2 "RMS(OBS, PRED)" HA 38 0.387 1
132 1 11 2 "RMS(OBS, PRED)" N 35 3.209 1
133 1 12 1 "RMS(OBS, PRED)" C 58 1.420 1
134 1 12 1 "RMS(OBS, PRED)" CA 63 1.442 1
135 1 12 1 "RMS(OBS, PRED)" CB 63 3.277 1
136 1 12 1 "RMS(OBS, PRED)" H 59 0.516 1
137 1 12 1 "RMS(OBS, PRED)" HA 63 0.394 1
138 1 12 1 "RMS(OBS, PRED)" N 59 2.883 1
139 1 12 2 "RMS(OBS, PRED)" C 35 1.316 1
140 1 12 2 "RMS(OBS, PRED)" CA 35 1.591 1
141 1 12 2 "RMS(OBS, PRED)" CB 31 1.621 1
142 1 12 2 "RMS(OBS, PRED)" H 35 0.557 1
143 1 12 2 "RMS(OBS, PRED)" HA 38 0.350 1
144 1 12 2 "RMS(OBS, PRED)" N 35 3.464 1
145 1 13 1 "RMS(OBS, PRED)" C 58 1.390 1
146 1 13 1 "RMS(OBS, PRED)" CA 63 1.361 1
147 1 13 1 "RMS(OBS, PRED)" CB 63 3.343 1
148 1 13 1 "RMS(OBS, PRED)" H 59 0.610 1
149 1 13 1 "RMS(OBS, PRED)" HA 63 0.303 1
150 1 13 1 "RMS(OBS, PRED)" N 59 3.067 1
151 1 13 2 "RMS(OBS, PRED)" C 35 1.393 1
152 1 13 2 "RMS(OBS, PRED)" CA 35 1.710 1
153 1 13 2 "RMS(OBS, PRED)" CB 31 2.093 1
154 1 13 2 "RMS(OBS, PRED)" H 35 0.475 1
155 1 13 2 "RMS(OBS, PRED)" HA 38 0.425 1
156 1 13 2 "RMS(OBS, PRED)" N 35 3.480 1
157 1 14 1 "RMS(OBS, PRED)" C 58 1.535 1
158 1 14 1 "RMS(OBS, PRED)" CA 63 1.380 1
159 1 14 1 "RMS(OBS, PRED)" CB 63 3.189 1
160 1 14 1 "RMS(OBS, PRED)" H 59 0.501 1
161 1 14 1 "RMS(OBS, PRED)" HA 63 0.400 1
162 1 14 1 "RMS(OBS, PRED)" N 59 2.809 1
163 1 14 2 "RMS(OBS, PRED)" C 35 1.442 1
164 1 14 2 "RMS(OBS, PRED)" CA 35 1.704 1
165 1 14 2 "RMS(OBS, PRED)" CB 31 1.716 1
166 1 14 2 "RMS(OBS, PRED)" H 35 0.441 1
167 1 14 2 "RMS(OBS, PRED)" HA 38 0.382 1
168 1 14 2 "RMS(OBS, PRED)" N 35 2.820 1
169 1 15 1 "RMS(OBS, PRED)" C 58 1.502 1
170 1 15 1 "RMS(OBS, PRED)" CA 63 1.416 1
171 1 15 1 "RMS(OBS, PRED)" CB 63 3.653 1
172 1 15 1 "RMS(OBS, PRED)" H 59 0.559 1
173 1 15 1 "RMS(OBS, PRED)" HA 63 0.341 1
174 1 15 1 "RMS(OBS, PRED)" N 59 2.642 1
175 1 15 2 "RMS(OBS, PRED)" C 35 1.234 1
176 1 15 2 "RMS(OBS, PRED)" CA 35 1.567 1
177 1 15 2 "RMS(OBS, PRED)" CB 31 1.466 1
178 1 15 2 "RMS(OBS, PRED)" H 35 0.465 1
179 1 15 2 "RMS(OBS, PRED)" HA 38 0.361 1
180 1 15 2 "RMS(OBS, PRED)" N 35 3.083 1
181 1 16 1 "RMS(OBS, PRED)" C 58 1.476 1
182 1 16 1 "RMS(OBS, PRED)" CA 63 1.528 1
183 1 16 1 "RMS(OBS, PRED)" CB 63 3.519 1
184 1 16 1 "RMS(OBS, PRED)" H 59 0.537 1
185 1 16 1 "RMS(OBS, PRED)" HA 63 0.361 1
186 1 16 1 "RMS(OBS, PRED)" N 59 2.972 1
187 1 16 2 "RMS(OBS, PRED)" C 35 1.298 1
188 1 16 2 "RMS(OBS, PRED)" CA 35 1.534 1
189 1 16 2 "RMS(OBS, PRED)" CB 31 1.638 1
190 1 16 2 "RMS(OBS, PRED)" H 35 0.510 1
191 1 16 2 "RMS(OBS, PRED)" HA 38 0.380 1
192 1 16 2 "RMS(OBS, PRED)" N 35 3.904 1
193 1 17 1 "RMS(OBS, PRED)" C 58 1.492 1
194 1 17 1 "RMS(OBS, PRED)" CA 63 1.333 1
195 1 17 1 "RMS(OBS, PRED)" CB 63 3.199 1
196 1 17 1 "RMS(OBS, PRED)" H 59 0.574 1
197 1 17 1 "RMS(OBS, PRED)" HA 63 0.350 1
198 1 17 1 "RMS(OBS, PRED)" N 59 2.977 1
199 1 17 2 "RMS(OBS, PRED)" C 35 1.297 1
200 1 17 2 "RMS(OBS, PRED)" CA 35 1.618 1
201 1 17 2 "RMS(OBS, PRED)" CB 31 2.188 1
202 1 17 2 "RMS(OBS, PRED)" H 35 0.429 1
203 1 17 2 "RMS(OBS, PRED)" HA 38 0.423 1
204 1 17 2 "RMS(OBS, PRED)" N 35 2.737 1
205 1 18 1 "RMS(OBS, PRED)" C 58 1.535 1
206 1 18 1 "RMS(OBS, PRED)" CA 63 1.348 1
207 1 18 1 "RMS(OBS, PRED)" CB 63 3.475 1
208 1 18 1 "RMS(OBS, PRED)" H 59 0.569 1
209 1 18 1 "RMS(OBS, PRED)" HA 63 0.405 1
210 1 18 1 "RMS(OBS, PRED)" N 59 2.790 1
211 1 18 2 "RMS(OBS, PRED)" C 35 1.393 1
212 1 18 2 "RMS(OBS, PRED)" CA 35 1.729 1
213 1 18 2 "RMS(OBS, PRED)" CB 31 1.771 1
214 1 18 2 "RMS(OBS, PRED)" H 35 0.541 1
215 1 18 2 "RMS(OBS, PRED)" HA 38 0.401 1
216 1 18 2 "RMS(OBS, PRED)" N 35 3.655 1
217 1 19 1 "RMS(OBS, PRED)" C 58 1.455 1
218 1 19 1 "RMS(OBS, PRED)" CA 63 1.406 1
219 1 19 1 "RMS(OBS, PRED)" CB 63 3.247 1
220 1 19 1 "RMS(OBS, PRED)" H 59 0.598 1
221 1 19 1 "RMS(OBS, PRED)" HA 63 0.362 1
222 1 19 1 "RMS(OBS, PRED)" N 59 3.217 1
223 1 19 2 "RMS(OBS, PRED)" C 35 1.446 1
224 1 19 2 "RMS(OBS, PRED)" CA 35 1.766 1
225 1 19 2 "RMS(OBS, PRED)" CB 31 2.246 1
226 1 19 2 "RMS(OBS, PRED)" H 35 0.526 1
227 1 19 2 "RMS(OBS, PRED)" HA 38 0.451 1
228 1 19 2 "RMS(OBS, PRED)" N 35 3.481 1
229 1 20 1 "RMS(OBS, PRED)" C 58 1.490 1
230 1 20 1 "RMS(OBS, PRED)" CA 63 1.531 1
231 1 20 1 "RMS(OBS, PRED)" CB 63 3.494 1
232 1 20 1 "RMS(OBS, PRED)" H 59 0.556 1
233 1 20 1 "RMS(OBS, PRED)" HA 63 0.338 1
234 1 20 1 "RMS(OBS, PRED)" N 59 2.975 1
235 1 20 2 "RMS(OBS, PRED)" C 35 1.426 1
236 1 20 2 "RMS(OBS, PRED)" CA 35 1.569 1
237 1 20 2 "RMS(OBS, PRED)" CB 31 2.164 1
238 1 20 2 "RMS(OBS, PRED)" H 35 0.469 1
239 1 20 2 "RMS(OBS, PRED)" HA 38 0.393 1
240 1 20 2 "RMS(OBS, PRED)" N 35 3.277 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 12 . 1 1 A 4 4 PRO CB C 2 32.476 31.899 0.577 2
1 16 . 1 1 A 5 5 VAL HA H 3 4.152 4.390 -0.238 2
1 26 . 1 1 A 5 5 VAL CB C 3 33.455 32.795 0.660 2
1 169 . 1 1 A 19 19 HIS HA H 17 4.859 4.723 0.136 2
1 176 . 1 1 A 19 19 HIS CB C 17 29.870 28.776 1.094 2
1 195 . 1 1 A 21 21 ALA HA H 19 4.402 4.310 0.092 2
1 201 . 1 1 A 21 21 ALA CB C 19 19.790 19.244 0.546 2
1 282 . 1 1 A 28 28 LEU HA H 26 5.190 5.271 -0.081 2
1 292 . 1 1 A 28 28 LEU C C 26 175.510 175.189 0.321 2
1 293 . 1 1 A 28 28 LEU CA C 26 53.480 53.373 0.107 2
1 294 . 1 1 A 28 28 LEU CB C 26 45.235 45.128 0.107 2
1 299 . 1 1 A 29 29 LYS H H 27 9.578 9.228 0.350 2
1 315 . 1 1 A 29 29 LYS N N 27 123.488 123.814 -0.326 2
1 432 . 1 1 A 40 40 ILE H H 38 8.874 8.829 0.045 2
1 433 . 1 1 A 40 40 ILE HA H 38 5.093 5.139 -0.046 2
1 443 . 1 1 A 40 40 ILE C C 38 174.390 174.634 -0.244 2
1 444 . 1 1 A 40 40 ILE CA C 38 60.582 60.025 0.557 2
1 445 . 1 1 A 40 40 ILE CB C 38 40.048 40.565 -0.517 2
1 449 . 1 1 A 40 40 ILE N N 38 123.962 125.294 -1.332 2
1 450 . 1 1 A 41 41 VAL H H 39 9.120 9.357 -0.237 2
1 451 . 1 1 A 41 41 VAL HA H 39 4.905 4.832 0.074 2
1 459 . 1 1 A 41 41 VAL C C 39 175.487 174.747 0.740 2
1 460 . 1 1 A 41 41 VAL CA C 39 59.980 61.056 -1.076 2
1 461 . 1 1 A 41 41 VAL CB C 39 35.868 33.704 2.164 2
1 464 . 1 1 A 41 41 VAL N N 39 126.354 128.455 -2.101 2
1 465 . 1 1 A 42 42 ALA H H 40 9.513 9.496 0.017 2
1 466 . 1 1 A 42 42 ALA HA H 40 5.154 5.490 -0.336 2
1 470 . 1 1 A 42 42 ALA C C 40 175.944 175.456 0.488 2
1 471 . 1 1 A 42 42 ALA CA C 40 50.591 50.172 0.419 2
1 472 . 1 1 A 42 42 ALA CB C 40 22.432 22.094 0.338 2
1 473 . 1 1 A 42 42 ALA N N 40 128.406 129.458 -1.052 2
1 474 . 1 1 A 43 43 ARG H H 41 7.706 8.609 -0.903 2
1 475 . 1 1 A 43 43 ARG HA H 41 4.978 4.903 0.075 2
1 482 . 1 1 A 43 43 ARG C C 41 175.510 175.878 -0.368 2
1 483 . 1 1 A 43 43 ARG CA C 41 54.162 55.108 -0.946 2
1 484 . 1 1 A 43 43 ARG CB C 41 31.200 32.301 -1.101 2
1 487 . 1 1 A 43 43 ARG N N 41 121.663 123.372 -1.709 2
1 488 . 1 1 A 44 44 LEU H H 42 9.164 8.652 0.512 2
1 489 . 1 1 A 44 44 LEU HA H 42 5.023 4.646 0.377 2
1 499 . 1 1 A 44 44 LEU C C 42 177.840 177.522 0.318 2
1 500 . 1 1 A 44 44 LEU CA C 42 54.724 54.838 -0.114 2
1 501 . 1 1 A 44 44 LEU CB C 42 41.712 42.157 -0.445 2
1 505 . 1 1 A 44 44 LEU N N 42 129.087 126.591 2.495 2
1 506 . 1 1 A 45 45 LYS H H 43 8.414 8.864 -0.450 2
1 507 . 1 1 A 45 45 LYS HA H 43 3.954 4.129 -0.175 2
1 516 . 1 1 A 45 45 LYS CA C 43 59.016 57.757 1.259 2
1 517 . 1 1 A 45 45 LYS CB C 43 34.102 32.452 1.650 2
1 520 . 1 1 A 45 45 LYS N N 43 119.674 121.787 -2.113 2
1 521 . 1 1 A 48 48 ASN HA H 46 4.723 4.879 -0.156 2
1 526 . 1 1 A 48 48 ASN C C 46 175.098 174.718 0.380 2
1 527 . 1 1 A 48 48 ASN CA C 46 54.764 53.716 1.048 2
1 528 . 1 1 A 48 48 ASN CB C 46 39.265 40.049 -0.784 2
1 530 . 1 1 A 49 49 ARG H H 47 7.914 8.112 -0.198 2
1 531 . 1 1 A 49 49 ARG HA H 47 4.352 4.705 -0.353 2
1 538 . 1 1 A 49 49 ARG C C 47 175.601 174.787 0.814 2
1 539 . 1 1 A 49 49 ARG CA C 47 57.051 54.971 2.080 2
1 540 . 1 1 A 49 49 ARG CB C 47 32.121 32.452 -0.331 2
1 543 . 1 1 A 49 49 ARG N N 47 119.826 117.552 2.274 2
1 544 . 1 1 A 50 50 GLN H H 48 8.542 8.531 0.011 2
1 545 . 1 1 A 50 50 GLN HA H 48 5.495 5.078 0.417 2
1 552 . 1 1 A 50 50 GLN C C 48 175.578 175.133 0.445 2
1 553 . 1 1 A 50 50 GLN CA C 48 55.125 54.669 0.456 2
1 554 . 1 1 A 50 50 GLN CB C 48 32.121 31.285 0.836 2
1 556 . 1 1 A 50 50 GLN N N 48 120.767 118.808 1.959 2
1 558 . 1 1 A 51 51 VAL H H 49 8.649 9.196 -0.547 2
1 559 . 1 1 A 51 51 VAL HA H 49 4.833 4.915 -0.082 2
1 567 . 1 1 A 51 51 VAL C C 49 175.258 173.811 1.447 2
1 568 . 1 1 A 51 51 VAL CA C 49 59.338 59.378 -0.040 2
1 569 . 1 1 A 51 51 VAL CB C 49 36.155 35.046 1.109 2
1 572 . 1 1 A 51 51 VAL N N 49 116.678 117.953 -1.275 2
1 573 . 1 1 A 52 52 CYS H H 50 9.099 9.054 0.045 2
1 574 . 1 1 A 52 52 CYS HA H 50 5.308 5.390 -0.082 2
1 577 . 1 1 A 52 52 CYS C C 50 174.527 172.765 1.762 2
1 578 . 1 1 A 52 52 CYS CA C 50 58.054 54.428 3.626 2
1 579 . 1 1 A 52 52 CYS CB C 50 43.375 45.118 -1.743 2
1 580 . 1 1 A 52 52 CYS N N 50 124.549 120.704 3.845 2
1 581 . 1 1 A 53 53 ILE H H 51 8.479 9.580 -1.101 2
1 582 . 1 1 A 53 53 ILE HA H 51 4.974 4.927 0.047 2
1 592 . 1 1 A 53 53 ILE C C 51 173.019 174.843 -1.824 2
1 593 . 1 1 A 53 53 ILE CA C 51 58.897 59.904 -1.007 2
1 594 . 1 1 A 53 53 ILE CB C 51 42.201 41.067 1.134 2
1 598 . 1 1 A 53 53 ILE N N 51 122.581 125.929 -3.348 2
1 599 . 1 1 A 54 54 ASP H H 52 7.642 8.357 -0.715 2
1 600 . 1 1 A 54 54 ASP HA H 52 3.619 4.480 -0.861 2
1 603 . 1 1 A 54 54 ASP CA C 52 51.574 51.681 -0.107 2
1 604 . 1 1 A 54 54 ASP CB C 52 42.515 41.813 0.702 2
1 605 . 1 1 A 54 54 ASP N N 52 125.772 125.913 -0.141 2
1 606 . 1 1 A 55 55 PRO HA H 53 4.023 4.364 -0.341 2
1 613 . 1 1 A 55 55 PRO C C 53 176.126 176.474 -0.348 2
1 614 . 1 1 A 55 55 PRO CA C 53 63.993 63.921 0.072 2
1 615 . 1 1 A 55 55 PRO CB C 53 33.002 31.771 1.231 2
1 618 . 1 1 A 56 56 LYS H H 54 7.930 7.818 0.112 2
1 619 . 1 1 A 56 56 LYS HA H 54 4.000 4.402 -0.402 2
1 628 . 1 1 A 56 56 LYS C C 54 177.931 176.367 1.564 2
1 629 . 1 1 A 56 56 LYS CA C 54 56.770 55.949 0.821 2
1 630 . 1 1 A 56 56 LYS CB C 54 32.023 33.020 -0.997 2
1 634 . 1 1 A 56 56 LYS N N 54 112.924 117.026 -4.103 2
1 635 . 1 1 A 57 57 LEU H H 55 7.161 6.941 0.220 2
1 636 . 1 1 A 57 57 LEU HA H 55 4.065 4.162 -0.097 2
1 646 . 1 1 A 57 57 LEU C C 55 179.416 177.625 1.791 2
1 647 . 1 1 A 57 57 LEU CA C 55 56.088 55.100 0.988 2
1 648 . 1 1 A 57 57 LEU CB C 55 42.397 41.913 0.484 2
1 652 . 1 1 A 57 57 LEU N N 55 120.593 121.535 -0.942 2
1 653 . 1 1 A 58 58 LYS H H 56 8.716 8.870 -0.154 2
1 654 . 1 1 A 58 58 LYS HA H 56 3.937 3.984 -0.047 2
1 663 . 1 1 A 58 58 LYS C C 56 178.937 178.200 0.737 2
1 664 . 1 1 A 58 58 LYS CA C 56 60.301 59.396 0.905 2
1 665 . 1 1 A 58 58 LYS CB C 56 32.121 32.431 -0.310 2
1 669 . 1 1 A 58 58 LYS N N 56 125.479 124.211 1.268 2
1 670 . 1 1 A 59 59 TRP H H 57 7.827 8.310 -0.483 2
1 671 . 1 1 A 59 59 TRP HA H 57 4.664 4.517 0.147 2
1 680 . 1 1 A 59 59 TRP C C 57 178.868 179.353 -0.485 2
1 681 . 1 1 A 59 59 TRP CA C 57 58.897 59.899 -1.002 2
1 682 . 1 1 A 59 59 TRP CB C 57 28.036 28.093 -0.057 2
1 688 . 1 1 A 59 59 TRP N N 57 113.433 119.228 -5.795 2
1 690 . 1 1 A 60 60 ILE H H 58 6.458 7.472 -1.014 2
1 691 . 1 1 A 60 60 ILE HA H 58 3.325 3.450 -0.125 2
1 701 . 1 1 A 60 60 ILE C C 58 177.726 177.778 -0.052 2
1 702 . 1 1 A 60 60 ILE CA C 58 64.314 64.549 -0.235 2
1 703 . 1 1 A 60 60 ILE CB C 58 35.897 36.659 -0.762 2
1 707 . 1 1 A 60 60 ILE N N 58 124.379 122.491 1.888 2
1 708 . 1 1 A 61 61 GLN H H 59 7.622 8.482 -0.860 2
1 709 . 1 1 A 61 61 GLN HA H 59 3.763 3.901 -0.138 2
1 716 . 1 1 A 61 61 GLN C C 59 178.434 179.020 -0.586 2
1 717 . 1 1 A 61 61 GLN CA C 59 59.379 59.336 0.043 2
1 718 . 1 1 A 61 61 GLN CB C 59 28.602 28.363 0.239 2
1 720 . 1 1 A 61 61 GLN N N 59 119.070 118.829 0.241 2
1 722 . 1 1 A 62 62 GLU H H 60 8.064 8.127 -0.063 2
1 723 . 1 1 A 62 62 GLU HA H 60 4.093 4.097 -0.004 2
1 728 . 1 1 A 62 62 GLU C C 60 179.051 178.721 0.330 2
1 729 . 1 1 A 62 62 GLU CA C 60 59.659 59.308 0.351 2
1 730 . 1 1 A 62 62 GLU CB C 60 30.457 29.629 0.828 2
1 732 . 1 1 A 62 62 GLU N N 60 117.166 120.316 -3.150 2
1 733 . 1 1 A 63 63 TYR H H 61 7.913 8.033 -0.120 2
1 734 . 1 1 A 63 63 TYR HA H 61 4.265 4.265 0.000 2
1 741 . 1 1 A 63 63 TYR C C 61 178.617 177.532 1.085 2
1 742 . 1 1 A 63 63 TYR CA C 61 61.184 61.547 -0.363 2
1 743 . 1 1 A 63 63 TYR CB C 61 39.461 38.719 0.742 2
1 746 . 1 1 A 63 63 TYR N N 61 121.271 122.500 -1.229 2
1 747 . 1 1 A 64 64 LEU H H 62 8.252 8.995 -0.743 2
1 748 . 1 1 A 64 64 LEU HA H 62 3.977 3.921 0.056 2
1 758 . 1 1 A 64 64 LEU C C 62 179.553 179.321 0.232 2
1 759 . 1 1 A 64 64 LEU CA C 62 58.014 58.217 -0.203 2
1 760 . 1 1 A 64 64 LEU CB C 62 42.397 41.596 0.801 2
1 764 . 1 1 A 64 64 LEU N N 62 116.299 120.179 -3.880 2
1 765 . 1 1 A 65 65 GLU H H 63 8.453 8.311 0.142 2
1 766 . 1 1 A 65 65 GLU HA H 63 3.853 3.961 -0.108 2
1 771 . 1 1 A 65 65 GLU C C 63 179.279 179.284 -0.005 2
1 772 . 1 1 A 65 65 GLU CA C 63 60.301 59.704 0.597 2
1 773 . 1 1 A 65 65 GLU CB C 63 29.870 29.349 0.521 2
1 775 . 1 1 A 65 65 GLU N N 63 118.616 117.571 1.045 2
1 776 . 1 1 A 66 66 LYS H H 64 7.571 8.179 -0.608 2
1 777 . 1 1 A 66 66 LYS HA H 64 4.225 4.067 0.158 2
1 786 . 1 1 A 66 66 LYS C C 64 178.457 179.079 -0.622 2
1 787 . 1 1 A 66 66 LYS CA C 64 58.496 58.803 -0.307 2
1 788 . 1 1 A 66 66 LYS CB C 64 32.400 32.253 0.147 2
1 792 . 1 1 A 66 66 LYS N N 64 117.166 118.885 -1.719 2
1 793 . 1 1 A 67 67 CYS H H 65 7.916 7.825 0.091 2
1 794 . 1 1 A 67 67 CYS HA H 65 4.561 4.099 0.462 2
1 797 . 1 1 A 67 67 CYS C C 65 174.893 176.796 -1.903 2
1 798 . 1 1 A 67 67 CYS CA C 65 56.329 62.064 -5.735 2
1 799 . 1 1 A 67 67 CYS CB C 65 45.235 27.166 18.069 2
1 800 . 1 1 A 67 67 CYS N N 65 115.312 118.839 -3.527 2
1 801 . 1 1 A 68 68 LEU H H 66 7.556 7.734 -0.178 2
1 802 . 1 1 A 68 68 LEU HA H 66 4.520 4.014 0.506 2
1 812 . 1 1 A 68 68 LEU C C 66 176.812 178.400 -1.588 2
1 813 . 1 1 A 68 68 LEU CA C 66 55.366 57.559 -2.192 2
1 814 . 1 1 A 68 68 LEU CB C 66 43.278 41.481 1.797 2
1 818 . 1 1 A 68 68 LEU N N 66 120.930 120.311 0.619 2
1 819 . 1 1 A 69 69 ASN H H 67 8.266 7.833 0.433 2
1 820 . 1 1 A 69 69 ASN HA H 67 4.681 4.670 0.011 2
1 825 . 1 1 A 69 69 ASN CA C 67 53.761 54.853 -1.092 2
1 826 . 1 1 A 69 69 ASN CB C 67 39.069 39.183 -0.114 2
1 827 . 1 1 A 69 69 ASN N N 67 120.279 116.547 3.732 2
1 852 . 2 2 B 4 4 GLU H H 102 8.376 8.290 0.086 2
1 853 . 2 2 B 4 4 GLU HA H 102 4.335 4.598 -0.263 2
1 858 . 2 2 B 4 4 GLU C C 102 177.132 176.620 0.512 2
1 859 . 2 2 B 4 4 GLU CA C 102 57.410 59.459 -2.049 2
1 861 . 2 2 B 4 4 GLU N N 102 121.884 120.798 1.086 2
1 862 . 2 2 B 5 5 GLY H H 103 8.380 8.338 0.043 2
1 863 . 2 2 B 5 5 GLY HA2 H 103 4.003 4.033 -0.030 2
1 864 . 2 2 B 5 5 GLY HA3 H 103 4.003 4.036 -0.033 2
1 865 . 2 2 B 5 5 GLY C C 103 174.207 174.235 -0.028 2
1 866 . 2 2 B 5 5 GLY CA C 103 45.750 53.642 -7.892 2
1 867 . 2 2 B 5 5 GLY N N 103 110.055 114.671 -4.616 2
1 868 . 2 2 B 6 6 ILE H H 104 7.851 8.458 -0.607 2
1 869 . 2 2 B 6 6 ILE HA H 104 4.305 4.604 -0.299 2
1 879 . 2 2 B 6 6 ILE C C 104 176.401 174.706 1.695 2
1 880 . 2 2 B 6 6 ILE CA C 104 61.558 59.446 2.112 2
1 881 . 2 2 B 6 6 ILE CB C 104 39.436 51.623 -12.187 2
1 885 . 2 2 B 6 6 ILE N N 104 119.606 121.260 -1.654 2
1 886 . 2 2 B 7 7 SER H H 105 8.369 8.520 -0.151 2
1 887 . 2 2 B 7 7 SER HA H 105 4.564 4.579 -0.015 2
1 890 . 2 2 B 7 7 SER C C 105 174.550 174.630 -0.080 2
1 891 . 2 2 B 7 7 SER CA C 105 58.667 56.560 2.107 2
1 892 . 2 2 B 7 7 SER CB C 105 64.072 53.254 10.818 2
1 893 . 2 2 B 7 7 SER N N 105 119.853 122.459 -2.606 2
1 894 . 2 2 B 8 8 ILE H H 106 7.953 8.193 -0.240 2
1 895 . 2 2 B 8 8 ILE HA H 106 4.224 4.480 -0.256 2
1 905 . 2 2 B 8 8 ILE C C 106 175.921 174.300 1.621 2
1 906 . 2 2 B 8 8 ILE CA C 106 61.935 58.906 3.029 2
1 907 . 2 2 B 8 8 ILE CB C 106 39.436 52.196 -12.760 2
1 911 . 2 2 B 8 8 ILE N N 106 121.730 118.766 2.964 2
1 912 . 2 2 B 9 9 TYR H H 107 8.171 8.615 -0.444 2
1 913 . 2 2 B 9 9 TYR HA H 107 4.736 4.633 0.103 2
1 920 . 2 2 B 9 9 TYR C C 107 176.058 175.328 0.730 2
1 921 . 2 2 B 9 9 TYR CA C 107 58.165 58.233 -0.068 2
1 922 . 2 2 B 9 9 TYR CB C 107 39.436 38.291 1.146 2
1 925 . 2 2 B 9 9 TYR N N 107 123.598 123.061 0.537 2
1 926 . 2 2 B 10 10 THR H H 108 7.986 8.255 -0.269 2
1 927 . 2 2 B 10 10 THR HA H 108 4.452 4.637 -0.185 2
1 932 . 2 2 B 10 10 THR C C 108 174.459 174.213 0.246 2
1 933 . 2 2 B 10 10 THR CA C 108 62.061 58.315 3.746 2
1 934 . 2 2 B 10 10 THR CB C 108 70.608 50.813 19.795 2
1 936 . 2 2 B 10 10 THR N N 108 115.642 117.639 -1.997 2
1 937 . 2 2 B 11 11 SER H H 109 8.193 8.476 -0.283 2
1 938 . 2 2 B 11 11 SER HA H 109 4.526 4.893 -0.367 2
1 941 . 2 2 B 11 11 SER C C 109 174.504 173.694 0.810 2
1 942 . 2 2 B 11 11 SER CA C 109 58.919 56.170 2.749 2
1 943 . 2 2 B 11 11 SER CB C 109 64.198 54.025 10.173 2
1 944 . 2 2 B 11 11 SER N N 109 117.597 119.812 -2.215 2
1 945 . 2 2 B 12 12 ASP H H 110 8.351 8.709 -0.358 2
1 946 . 2 2 B 12 12 ASP HA H 110 4.650 4.551 0.099 2
1 949 . 2 2 B 12 12 ASP C C 110 176.058 175.723 0.335 2
1 950 . 2 2 B 12 12 ASP CA C 110 55.022 59.805 -4.783 2
1 951 . 2 2 B 12 12 ASP CB C 110 41.825 36.759 5.066 2
1 952 . 2 2 B 12 12 ASP N N 110 122.020 124.023 -2.003 2
1 953 . 2 2 B 13 13 ASN H H 111 8.230 8.287 -0.057 2
1 954 . 2 2 B 13 13 ASN HA H 111 4.745 4.774 -0.029 2
1 957 . 2 2 B 13 13 ASN C C 111 175.030 174.261 0.769 2
1 958 . 2 2 B 13 13 ASN CA C 111 53.765 53.777 -0.012 2
1 959 . 2 2 B 13 13 ASN CB C 111 39.562 38.981 0.581 2
1 960 . 2 2 B 13 13 ASN N N 111 118.317 117.541 0.776 2
1 961 . 2 2 B 14 14 TYR H H 112 8.101 8.554 -0.453 2
1 962 . 2 2 B 14 14 TYR HA H 112 4.645 4.485 0.160 2
1 969 . 2 2 B 14 14 TYR C C 112 176.081 175.397 0.684 2
1 970 . 2 2 B 14 14 TYR CA C 112 58.793 58.116 0.677 2
1 971 . 2 2 B 14 14 TYR CB C 112 39.436 35.680 3.756 2
1 974 . 2 2 B 14 14 TYR N N 112 121.125 122.964 -1.839 2
1 975 . 2 2 B 15 15 THR H H 113 7.900 7.956 -0.056 2
1 976 . 2 2 B 15 15 THR HA H 113 4.332 4.874 -0.542 2
1 981 . 2 2 B 15 15 THR C C 113 174.413 174.164 0.249 2
1 982 . 2 2 B 15 15 THR CA C 113 62.187 58.974 3.213 2
1 983 . 2 2 B 15 15 THR CB C 113 70.341 55.983 14.358 2
1 985 . 2 2 B 15 15 THR N N 113 116.394 115.319 1.075 2
1 986 . 2 2 B 16 16 GLU H H 114 8.283 8.630 -0.347 2
1 987 . 2 2 B 16 16 GLU HA H 114 4.275 5.123 -0.848 2
1 992 . 2 2 B 16 16 GLU C C 114 176.766 174.749 2.017 2
1 993 . 2 2 B 16 16 GLU CA C 114 57.410 55.720 1.690 2
1 994 . 2 2 B 16 16 GLU CB C 114 30.638 36.500 -5.862 2
1 996 . 2 2 B 16 16 GLU N N 114 123.052 121.710 1.342 2
1 997 . 2 2 B 17 17 GLU H H 115 8.370 8.933 -0.563 2
1 998 . 2 2 B 17 17 GLU HA H 115 4.325 4.580 -0.255 2
1 1003 . 2 2 B 17 17 GLU C C 115 176.880 175.942 0.938 2
1 1004 . 2 2 B 17 17 GLU CA C 115 57.410 56.135 1.275 2
1 1005 . 2 2 B 17 17 GLU CB C 115 30.512 31.033 -0.521 2
1 1007 . 2 2 B 17 17 GLU N N 115 121.688 121.618 0.070 2
1 1008 . 2 2 B 18 18 MET H H 116 8.314 8.659 -0.345 2
1 1009 . 2 2 B 18 18 MET HA H 116 4.509 4.836 -0.327 2
1 1014 . 2 2 B 18 18 MET C C 116 177.086 174.967 2.119 2
1 1015 . 2 2 B 18 18 MET CA C 116 56.279 57.003 -0.724 2
1 1016 . 2 2 B 18 18 MET CB C 116 33.026 49.465 -16.439 2
1 1017 . 2 2 B 18 18 MET N N 116 121.270 120.637 0.633 2
1 1018 . 2 2 B 19 19 GLY H H 117 8.384 8.393 -0.009 2
1 1019 . 2 2 B 19 19 GLY HA2 H 117 4.061 4.196 -0.135 2
1 1020 . 2 2 B 19 19 GLY HA3 H 117 4.061 4.199 -0.138 2
1 1021 . 2 2 B 19 19 GLY C C 117 174.481 173.679 0.802 2
1 1022 . 2 2 B 19 19 GLY CA C 117 45.847 50.690 -4.843 2
1 1023 . 2 2 B 19 19 GLY N N 117 110.055 114.392 -4.337 2
1 1024 . 2 2 B 20 20 SER H H 118 8.250 8.526 -0.276 2
1 1025 . 2 2 B 20 20 SER HA H 118 4.495 4.622 -0.127 2
1 1028 . 2 2 B 20 20 SER C C 118 175.327 174.446 0.881 2
1 1029 . 2 2 B 20 20 SER CA C 118 58.919 59.921 -1.002 2
1 1030 . 2 2 B 20 20 SER CB C 118 64.575 49.303 15.272 2
1 1031 . 2 2 B 20 20 SER N N 118 115.664 119.486 -3.822 2
1 1032 . 2 2 B 21 21 GLY H H 119 8.429 8.547 -0.118 2
1 1033 . 2 2 B 21 21 GLY HA2 H 119 4.000 4.151 -0.151 2
1 1034 . 2 2 B 21 21 GLY HA3 H 119 4.000 4.156 -0.156 2
1 1035 . 2 2 B 21 21 GLY C C 119 174.002 175.404 -1.402 2
1 1036 . 2 2 B 21 21 GLY CA C 119 45.721 48.591 -2.870 2
1 1037 . 2 2 B 21 21 GLY N N 119 110.872 119.194 -8.322 2
1 1038 . 2 2 B 22 22 ASP H H 120 8.127 8.381 -0.254 2
1 1039 . 2 2 B 22 22 ASP HA H 120 4.634 4.145 0.489 2
1 1042 . 2 2 B 22 22 ASP C C 120 176.355 176.494 -0.140 2
1 1043 . 2 2 B 22 22 ASP CA C 120 54.771 55.669 -0.898 2
1 1044 . 2 2 B 22 22 ASP CB C 120 41.699 36.117 5.583 2
1 1045 . 2 2 B 22 22 ASP N N 120 120.530 122.457 -1.927 2
1 1046 . 2 2 B 23 23 TYR H H 121 8.097 8.131 -0.034 2
1 1047 . 2 2 B 23 23 TYR HA H 121 4.555 4.286 0.269 2
1 1054 . 2 2 B 23 23 TYR C C 121 176.058 176.430 -0.372 2
1 1055 . 2 2 B 23 23 TYR CA C 121 58.667 56.667 2.000 2
1 1056 . 2 2 B 23 23 TYR CB C 121 39.311 29.367 9.944 2
1 1059 . 2 2 B 23 23 TYR N N 121 120.584 122.127 -1.543 2
1 1060 . 2 2 B 24 24 ASP H H 122 8.224 7.884 0.340 2
1 1061 . 2 2 B 24 24 ASP HA H 122 4.621 4.888 -0.267 2
1 1064 . 2 2 B 24 24 ASP C C 122 176.835 174.760 2.075 2
1 1065 . 2 2 B 24 24 ASP CA C 122 55.022 53.357 1.665 2
1 1066 . 2 2 B 24 24 ASP CB C 122 41.825 41.239 0.586 2
1 1067 . 2 2 B 24 24 ASP N N 122 121.815 116.823 4.992 2
1 1068 . 2 2 B 25 25 SER H H 123 8.137 7.930 0.207 2
1 1069 . 2 2 B 25 25 SER HA H 123 4.394 4.520 -0.126 2
1 1072 . 2 2 B 25 25 SER C C 123 175.075 174.381 0.694 2
1 1073 . 2 2 B 25 25 SER CA C 123 59.547 59.404 0.143 2
1 1074 . 2 2 B 25 25 SER CB C 123 63.540 48.834 14.706 2
1 1075 . 2 2 B 25 25 SER N N 123 116.405 118.984 -2.579 2
1 1076 . 2 2 B 26 26 MET H H 124 8.221 8.870 -0.649 2
1 1077 . 2 2 B 26 26 MET HA H 124 4.500 4.691 -0.192 2
1 1082 . 2 2 B 26 26 MET C C 124 176.355 175.552 0.803 2
1 1083 . 2 2 B 26 26 MET CA C 124 56.279 55.760 0.519 2
1 1084 . 2 2 B 26 26 MET CB C 124 32.900 34.255 -1.355 2
1 1086 . 2 2 B 26 26 MET N N 124 121.210 123.621 -2.411 2
1 1087 . 2 2 B 27 27 LYS H H 125 7.991 8.083 -0.092 2
1 1088 . 2 2 B 27 27 LYS HA H 125 4.352 4.943 -0.591 2
1 1097 . 2 2 B 27 27 LYS C C 125 176.355 173.876 2.478 2
1 1098 . 2 2 B 27 27 LYS CA C 125 56.656 54.726 1.930 2
1 1099 . 2 2 B 27 27 LYS CB C 125 33.529 33.678 -0.149 2
1 1103 . 2 2 B 27 27 LYS N N 125 121.457 116.915 4.542 2
1 1104 . 2 2 B 28 28 GLU H H 126 8.216 8.793 -0.577 2
1 1105 . 2 2 B 28 28 GLU N N 126 122.890 119.425 3.465 2
1 1106 . 2 2 B 29 29 PRO HA H 127 4.396 4.773 -0.377 2
1 1113 . 2 2 B 29 29 PRO C C 127 176.812 175.230 1.582 2
1 1114 . 2 2 B 29 29 PRO CA C 127 63.821 58.589 5.232 2
1 1115 . 2 2 B 29 29 PRO CB C 127 32.272 33.570 -1.298 2
1 1118 . 2 2 B 30 30 ALA H H 128 8.282 8.630 -0.348 2
1 1119 . 2 2 B 30 30 ALA HA H 128 4.316 4.753 -0.437 2
1 1123 . 2 2 B 30 30 ALA C C 128 177.589 175.989 1.600 2
1 1124 . 2 2 B 30 30 ALA CA C 128 53.192 55.270 -2.078 2
1 1125 . 2 2 B 30 30 ALA CB C 128 19.703 29.753 -10.050 2
1 1126 . 2 2 B 30 30 ALA N N 128 123.577 125.619 -2.042 2
1 1127 . 2 2 B 31 31 PHE H H 129 8.035 8.741 -0.706 2
1 1128 . 2 2 B 31 31 PHE HA H 129 4.637 4.721 -0.084 2
1 1135 . 2 2 B 31 31 PHE C C 129 175.624 174.966 0.658 2
1 1136 . 2 2 B 31 31 PHE CA C 129 58.039 56.418 1.621 2
1 1137 . 2 2 B 31 31 PHE CB C 129 40.065 41.519 -1.454 2
1 1140 . 2 2 B 31 31 PHE N N 129 118.994 122.546 -3.552 2
1 1141 . 2 2 B 32 32 ARG H H 130 8.066 8.478 -0.412 2
1 1142 . 2 2 B 32 32 ARG HA H 130 4.351 4.953 -0.602 2
1 1149 . 2 2 B 32 32 ARG C C 130 175.875 174.809 1.066 2
1 1150 . 2 2 B 32 32 ARG CA C 130 56.154 53.562 2.592 2
1 1151 . 2 2 B 32 32 ARG CB C 130 31.643 36.324 -4.681 2
1 1154 . 2 2 B 32 32 ARG N N 130 123.094 121.392 1.702 2
1 1155 . 2 2 B 33 33 GLU H H 131 8.389 8.664 -0.275 2
1 1156 . 2 2 B 33 33 GLU HA H 131 4.295 4.768 -0.473 2
1 1161 . 2 2 B 33 33 GLU C C 131 176.766 175.418 1.348 2
1 1162 . 2 2 B 33 33 GLU CA C 131 57.285 57.711 -0.426 2
1 1163 . 2 2 B 33 33 GLU CB C 131 30.512 50.390 -19.878 2
1 1165 . 2 2 B 33 33 GLU N N 131 122.719 118.998 3.721 2
1 1166 . 2 2 B 34 34 GLU H H 132 8.526 8.743 -0.217 2
1 1167 . 2 2 B 34 34 GLU HA H 132 4.321 4.566 -0.244 2
1 1172 . 2 2 B 34 34 GLU C C 132 176.560 175.498 1.062 2
1 1173 . 2 2 B 34 34 GLU CA C 132 57.400 60.333 -2.933 2
1 1174 . 2 2 B 34 34 GLU CB C 132 30.512 31.592 -1.080 2
1 1176 . 2 2 B 34 34 GLU N N 132 122.122 122.376 -0.254 2
1 1177 . 2 2 B 35 35 ASN H H 133 8.379 8.511 -0.132 2
1 1178 . 2 2 B 35 35 ASN HA H 133 4.712 4.904 -0.192 2
1 1181 . 2 2 B 35 35 ASN C C 133 175.258 174.510 0.748 2
1 1182 . 2 2 B 35 35 ASN CA C 133 53.765 53.161 0.604 2
1 1183 . 2 2 B 35 35 ASN CB C 133 39.562 39.332 0.230 2
1 1184 . 2 2 B 35 35 ASN N N 133 119.552 118.612 0.940 2
1 1185 . 2 2 B 36 36 ALA H H 134 8.175 8.032 0.143 2
1 1186 . 2 2 B 36 36 ALA HA H 134 4.308 4.804 -0.496 2
1 1190 . 2 2 B 36 36 ALA C C 134 177.520 174.773 2.747 2
1 1191 . 2 2 B 36 36 ALA CA C 134 53.192 53.213 -0.021 2
1 1192 . 2 2 B 36 36 ALA CB C 134 19.703 33.181 -13.478 2
1 1193 . 2 2 B 36 36 ALA N N 134 124.376 121.069 3.307 2
1 1194 . 2 2 B 37 37 ASN H H 135 8.238 8.525 -0.287 2
1 1195 . 2 2 B 37 37 ASN HA H 135 4.713 4.654 0.059 2
1 1198 . 2 2 B 37 37 ASN C C 135 175.144 175.790 -0.646 2
1 1199 . 2 2 B 37 37 ASN CA C 135 53.640 52.617 1.023 2
1 1200 . 2 2 B 37 37 ASN CB C 135 39.311 29.641 9.670 2
1 1201 . 2 2 B 37 37 ASN N N 135 117.103 122.895 -5.792 2
1 1202 . 2 2 B 38 38 PHE H H 136 7.997 8.456 -0.459 2
1 1203 . 2 2 B 38 38 PHE HA H 136 4.678 4.658 0.020 2
1 1210 . 2 2 B 38 38 PHE C C 136 175.601 173.971 1.630 2
1 1211 . 2 2 B 38 38 PHE CA C 136 58.165 58.467 -0.302 2
1 1212 . 2 2 B 38 38 PHE CB C 136 39.939 34.600 5.339 2
1 1215 . 2 2 B 38 38 PHE N N 136 120.229 120.459 -0.230 2
1 1216 . 2 2 B 39 39 ASN H H 137 8.272 8.668 -0.396 2
1 1217 . 2 2 B 39 39 ASN HA H 137 4.752 4.975 -0.223 2
1 1220 . 2 2 B 39 39 ASN C C 137 174.047 174.410 -0.363 2
1 1221 . 2 2 B 39 39 ASN CA C 137 53.891 53.633 0.258 2
1 1222 . 2 2 B 39 39 ASN CB C 137 39.688 35.730 3.958 2
1 1223 . 2 2 B 39 39 ASN N N 137 120.594 123.482 -2.888 2
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